smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name ClC(Cl)=CCOc1cccnc1-c1nnn[n-]1 ZINC001606185243 1163801405 /nfs/dbraw/zinc/80/14/05/1163801405.db2.gz PQVVEZDNBGMGAW-UHFFFAOYSA-N -1 1 272.095 1.960 20 0 CDADMM ClC(Cl)=CCOc1cccnc1-c1nn[n-]n1 ZINC001606185243 1163801410 /nfs/dbraw/zinc/80/14/10/1163801410.db2.gz PQVVEZDNBGMGAW-UHFFFAOYSA-N -1 1 272.095 1.960 20 0 CDADMM CN(Cc1ccc(/C=C/C(=O)[O-])o1)[C@@H]1CCC(=O)N(C)C1 ZINC001606203630 1163804619 /nfs/dbraw/zinc/80/46/19/1163804619.db2.gz WKSVQAKFVNKCHM-LXSSAFMLSA-N -1 1 292.335 1.430 20 0 CDADMM F[C@H]1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001606300469 1163845257 /nfs/dbraw/zinc/84/52/57/1163845257.db2.gz VOIVOJGOEYLCKW-YUMQZZPRSA-N -1 1 263.280 1.349 20 0 CDADMM F[C@H]1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001606300469 1163845262 /nfs/dbraw/zinc/84/52/62/1163845262.db2.gz VOIVOJGOEYLCKW-YUMQZZPRSA-N -1 1 263.280 1.349 20 0 CDADMM COC1([C@H](C(=O)[O-])N2CCO[C@@H](C(C)(C)C)C2)CCC1 ZINC001606706829 1163963945 /nfs/dbraw/zinc/96/39/45/1163963945.db2.gz AEDMIRLDCUGJMC-NEPJUHHUSA-N -1 1 285.384 1.756 20 0 CDADMM COC[C@@H]1CCN1Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC001606846739 1164013881 /nfs/dbraw/zinc/01/38/81/1164013881.db2.gz PJPMDWYZEJEOGD-AAEUAGOBSA-N -1 1 279.336 1.759 20 0 CDADMM O=C(Nc1cc(F)ccn1)c1csc(-c2nn[n-]n2)c1 ZINC001606902338 1164028339 /nfs/dbraw/zinc/02/83/39/1164028339.db2.gz KDXQIXQTYXBPNA-UHFFFAOYSA-N -1 1 290.283 1.715 20 0 CDADMM COCOc1ccc(OC)cc1CN1CC(C)(C(=O)[O-])C1 ZINC001606935458 1164033295 /nfs/dbraw/zinc/03/32/95/1164033295.db2.gz WGPNIXFRWPALOI-UHFFFAOYSA-N -1 1 295.335 1.584 20 0 CDADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H]1CC12CC2 ZINC001606950378 1164035885 /nfs/dbraw/zinc/03/58/85/1164035885.db2.gz VHOIZJRUYBLECY-SCSAIBSYSA-N -1 1 296.743 1.715 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1C[C@@H]2CCCC[C@@H]21 ZINC001607032847 1164065584 /nfs/dbraw/zinc/06/55/84/1164065584.db2.gz OAAXPKUPJDVAJH-WPRPVWTQSA-N -1 1 273.296 1.474 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1C[C@@H]2CCCC[C@@H]21 ZINC001607032847 1164065588 /nfs/dbraw/zinc/06/55/88/1164065588.db2.gz OAAXPKUPJDVAJH-WPRPVWTQSA-N -1 1 273.296 1.474 20 0 CDADMM O[C@H]1CC[C@H](CNc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001607100793 1164084209 /nfs/dbraw/zinc/08/42/09/1164084209.db2.gz JNBONXSWLSQMMR-YUMQZZPRSA-N -1 1 294.746 1.488 20 0 CDADMM O[C@H]1CC[C@H](CNc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001607100793 1164084216 /nfs/dbraw/zinc/08/42/16/1164084216.db2.gz JNBONXSWLSQMMR-YUMQZZPRSA-N -1 1 294.746 1.488 20 0 CDADMM C[C@@H]1CN(C(=O)Cc2cccc(C(=O)[O-])c2)C[C@H](C)N1C ZINC001607471079 1164193445 /nfs/dbraw/zinc/19/34/45/1164193445.db2.gz JRECEZABHQMUAU-TXEJJXNPSA-N -1 1 290.363 1.478 20 0 CDADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN[C@]1(C)CCO[C@@H]1C ZINC001607495151 1164206994 /nfs/dbraw/zinc/20/69/94/1164206994.db2.gz MSVKFMLCGPPSOS-YMTOWFKASA-N -1 1 280.324 1.361 20 0 CDADMM Cc1[nH]c(CN[C@H](C)[C@H](O)C(F)(F)F)cc1C(=O)[O-] ZINC001607497443 1164209275 /nfs/dbraw/zinc/20/92/75/1164209275.db2.gz XDWFFLKBNLKQJW-MUWHJKNJSA-N -1 1 280.246 1.423 20 0 CDADMM Cc1cc(CCC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)n[nH]1 ZINC001607637152 1164246824 /nfs/dbraw/zinc/24/68/24/1164246824.db2.gz BQXBEAQDKBUYJA-MNOVXSKESA-N -1 1 279.340 1.410 20 0 CDADMM Cc1cc(CCC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)n[nH]1 ZINC001607639152 1164250072 /nfs/dbraw/zinc/25/00/72/1164250072.db2.gz XPJJRQPUDABXMU-LBPRGKRZSA-N -1 1 291.351 1.364 20 0 CDADMM Cc1ccc(NCCN2CCSCC2)nc1C(=O)[O-] ZINC001607809275 1164304848 /nfs/dbraw/zinc/30/48/48/1164304848.db2.gz PKFYUJUJGDKLHW-UHFFFAOYSA-N -1 1 281.381 1.549 20 0 CDADMM Cc1cccc(NC(=O)[C@H](C)N[C@H](C(=O)[O-])C2CC2)c1 ZINC001607856120 1164313576 /nfs/dbraw/zinc/31/35/76/1164313576.db2.gz CWVUHCKJEDVSTL-GWCFXTLKSA-N -1 1 276.336 1.775 20 0 CDADMM Cc1[nH+]c(N[C@H](CC(C)C)C(=O)[O-])ccc1C(=O)[O-] ZINC001607966583 1164356766 /nfs/dbraw/zinc/35/67/66/1164356766.db2.gz VEJNSYILSJFAII-SNVBAGLBSA-N -1 1 266.297 1.999 20 0 CDADMM Cn1cc(Cl)c(CN[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@@H]23)n1 ZINC001608113273 1164413319 /nfs/dbraw/zinc/41/33/19/1164413319.db2.gz CTPBGLJWQLEWLJ-YSSBGUOXSA-N -1 1 283.759 1.662 20 0 CDADMM O=C([O-])[C@@]1(F)CCN(CCO[C@H]2CCCCO2)C1 ZINC001608575995 1164552929 /nfs/dbraw/zinc/55/29/29/1164552929.db2.gz QNPRODXOLVULDS-CMPLNLGQSA-N -1 1 261.293 1.028 20 0 CDADMM CN(C)C1(C(=O)NCCCCCCC(=O)[O-])CC1 ZINC001334980613 959503073 /nfs/dbraw/zinc/50/30/73/959503073.db2.gz XGEXIRFUFRDPFL-UHFFFAOYSA-N -1 1 256.346 1.232 20 0 CDADMM O=C([O-])CC1(CN2CCOC[C@H]2CC(F)F)CC1 ZINC001608678453 1164601784 /nfs/dbraw/zinc/60/17/84/1164601784.db2.gz XGYXIAOLSSFUAB-SECBINFHSA-N -1 1 263.284 1.597 20 0 CDADMM O=C([O-])COCCNC(=O)c1n[nH]c2ccc(Cl)cc21 ZINC001608757849 1164630074 /nfs/dbraw/zinc/63/00/74/1164630074.db2.gz IYGMJCXFSXRIFZ-UHFFFAOYSA-N -1 1 297.698 1.047 20 0 CDADMM O=C([O-])COc1ccccc1CN1CCOCC2(CC2)C1 ZINC001608765690 1164630979 /nfs/dbraw/zinc/63/09/79/1164630979.db2.gz PRFOLICRJJKKLH-UHFFFAOYSA-N -1 1 291.347 1.762 20 0 CDADMM O=C([O-])c1csc(CN2CC[C@@H](N3CCCC3=O)C2)c1 ZINC001608991696 1164712007 /nfs/dbraw/zinc/71/20/07/1164712007.db2.gz JGNUMHSZRUUJSJ-LLVKDONJSA-N -1 1 294.376 1.643 20 0 CDADMM CCC(=O)CCCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609180561 1164819027 /nfs/dbraw/zinc/81/90/27/1164819027.db2.gz FDHAOKLDUIHJSD-UHFFFAOYSA-N -1 1 294.336 1.844 20 0 CDADMM CCC(=O)CCCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609180561 1164819034 /nfs/dbraw/zinc/81/90/34/1164819034.db2.gz FDHAOKLDUIHJSD-UHFFFAOYSA-N -1 1 294.336 1.844 20 0 CDADMM CC[C@H](C)[C@@H](O)CNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001609185128 1164826355 /nfs/dbraw/zinc/82/63/55/1164826355.db2.gz BDICAFIMHGXVLI-WPRPVWTQSA-N -1 1 276.344 1.389 20 0 CDADMM CC[C@H](C)[C@@H](O)CNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001609185128 1164826363 /nfs/dbraw/zinc/82/63/63/1164826363.db2.gz BDICAFIMHGXVLI-WPRPVWTQSA-N -1 1 276.344 1.389 20 0 CDADMM CC[C@H]1C[C@H](C)CN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609198652 1164839881 /nfs/dbraw/zinc/83/98/81/1164839881.db2.gz GKOUQGHVYSDDLN-WPRPVWTQSA-N -1 1 273.344 1.590 20 0 CDADMM CC[C@H]1C[C@H](C)CN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609198652 1164839885 /nfs/dbraw/zinc/83/98/85/1164839885.db2.gz GKOUQGHVYSDDLN-WPRPVWTQSA-N -1 1 273.344 1.590 20 0 CDADMM CC(C)N(CCC(=O)[O-])C(=O)c1coc(CN)c1 ZINC001609704819 1165049077 /nfs/dbraw/zinc/04/90/77/1165049077.db2.gz NYURYBIKMHOMMO-UHFFFAOYSA-N -1 1 254.286 1.064 20 0 CDADMM C[C@@H]1CN(C(=O)C2=CC[C@@H](C)CC2)CCN1CCC(=O)[O-] ZINC001609845904 1165110205 /nfs/dbraw/zinc/11/02/05/1165110205.db2.gz VBJBHEZVUCDZCQ-CHWSQXEVSA-N -1 1 294.395 1.740 20 0 CDADMM COC(=O)CN(CCc1ccccc1)CC1(C(=O)[O-])CC1 ZINC001610183948 1165247399 /nfs/dbraw/zinc/24/73/99/1165247399.db2.gz IXUBKSDHUJXMKD-UHFFFAOYSA-N -1 1 291.347 1.569 20 0 CDADMM Cc1cc(NC(=O)CN(C)C(C)(C)CC(=O)[O-])no1 ZINC001610470645 1165324321 /nfs/dbraw/zinc/32/43/21/1165324321.db2.gz HSEBJEJEUKPEBK-UHFFFAOYSA-N -1 1 269.301 1.107 20 0 CDADMM Cc1nn2c(CN3C[C@@H](C)[C@H](C(=O)[O-])C3)c(C)nc2s1 ZINC001610572803 1165361402 /nfs/dbraw/zinc/36/14/02/1165361402.db2.gz CDNSURKZSOTRRB-GMSGAONNSA-N -1 1 294.380 1.560 20 0 CDADMM Cn1cc(CN[C@@H](C(=O)[O-])c2ccccc2Cl)cn1 ZINC001610603652 1165374109 /nfs/dbraw/zinc/37/41/09/1165374109.db2.gz ULLCAVLRQJHXFU-GFCCVEGCSA-N -1 1 279.727 1.989 20 0 CDADMM O=C(Cc1coc2c1ccc(F)c2F)Nc1nnn[n-]1 ZINC001628641929 1166085673 /nfs/dbraw/zinc/08/56/73/1166085673.db2.gz KLELTKOOZKYQMR-UHFFFAOYSA-N -1 1 279.206 1.405 20 0 CDADMM O=C(Cc1coc2c1ccc(F)c2F)Nc1nn[n-]n1 ZINC001628641929 1166085677 /nfs/dbraw/zinc/08/56/77/1166085677.db2.gz KLELTKOOZKYQMR-UHFFFAOYSA-N -1 1 279.206 1.405 20 0 CDADMM CCC(CC)(NC(=O)c1cccnc1)c1nn[n-]n1 ZINC000095284796 1166617934 /nfs/dbraw/zinc/61/79/34/1166617934.db2.gz SESYPRUEYKKYML-UHFFFAOYSA-N -1 1 260.301 1.040 20 0 CDADMM COCc1cc(OC)ccc1[N-]c1nonc1N ZINC001215976675 1167369256 /nfs/dbraw/zinc/36/92/56/1167369256.db2.gz KXVWKTPYKWSZPI-UHFFFAOYSA-N -1 1 250.258 1.550 20 0 CDADMM O=C(Nc1cnn(CCF)c1)c1cccc([O-])c1F ZINC001645500220 1167408222 /nfs/dbraw/zinc/40/82/22/1167408222.db2.gz TVPLGDDLHXTGAJ-UHFFFAOYSA-N -1 1 267.235 1.950 20 0 CDADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@]1(C)CCOC1 ZINC001645600385 1167434618 /nfs/dbraw/zinc/43/46/18/1167434618.db2.gz GZRBGOACGMUNCA-ZDUSSCGKSA-N -1 1 297.380 1.369 20 0 CDADMM Cc1cc(=O)[n-]c([C@@H](C)[N@@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)n1 ZINC001645944817 1167579710 /nfs/dbraw/zinc/57/97/10/1167579710.db2.gz JSHXUYNHRFYMON-IEBDPFPHSA-N -1 1 279.340 1.594 20 0 CDADMM Cc1cc(=O)[n-]c([C@@H](C)[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)n1 ZINC001645944817 1167579715 /nfs/dbraw/zinc/57/97/15/1167579715.db2.gz JSHXUYNHRFYMON-IEBDPFPHSA-N -1 1 279.340 1.594 20 0 CDADMM CCOc1ccc(C(=O)N(C)c2nn[n-]n2)cc1OCC ZINC001646202765 1167692913 /nfs/dbraw/zinc/69/29/13/1167692913.db2.gz DBFZEFHGRDVSMQ-UHFFFAOYSA-N -1 1 291.311 1.274 20 0 CDADMM O=C([O-])[C@@H](F)CNCc1cnn(Cc2ccc(F)cc2)c1 ZINC001646232913 1167715416 /nfs/dbraw/zinc/71/54/16/1167715416.db2.gz RMCNOBKIEAMRKJ-ZDUSSCGKSA-N -1 1 295.289 1.583 20 0 CDADMM C/C(=C\CN1CC=C(c2ccnn2C)CC1)C(=O)[O-] ZINC001609503593 1167940877 /nfs/dbraw/zinc/94/08/77/1167940877.db2.gz UDKMRBJQXFRRML-NYYWCZLTSA-N -1 1 261.325 1.540 20 0 CDADMM CC[C@H](C)N1CCN(C(=S)NCCCC(=O)[O-])CC1 ZINC001609907502 1167972862 /nfs/dbraw/zinc/97/28/62/1167972862.db2.gz GWRLEYPFJWCTIA-NSHDSACASA-N -1 1 287.429 1.142 20 0 CDADMM Cn1cnc(S(=O)(=O)[N-]C(C)(C)C2CC2)c1Cl ZINC000230614734 912361459 /nfs/dbraw/zinc/36/14/59/912361459.db2.gz FTOPJYIYIHOPGT-UHFFFAOYSA-N -1 1 277.777 1.540 20 0 CDADMM Nc1ccc(S(=O)(=O)[N-]c2cncc(F)c2)cc1N ZINC001174291781 913054664 /nfs/dbraw/zinc/05/46/64/913054664.db2.gz PTZIFMJVFSCAEE-UHFFFAOYSA-N -1 1 282.300 1.186 20 0 CDADMM COc1cc(F)c([N-]c2oncc2C(N)=O)c(F)c1 ZINC001175721846 913752606 /nfs/dbraw/zinc/75/26/06/913752606.db2.gz QSMQKBKDNNNEIB-UHFFFAOYSA-N -1 1 269.207 1.804 20 0 CDADMM Nc1ccc(S(=O)(=O)[N-]c2csc(CO)c2)cc1N ZINC001176371157 914091808 /nfs/dbraw/zinc/09/18/08/914091808.db2.gz XQYKMUYCCIGJQT-UHFFFAOYSA-N -1 1 299.377 1.206 20 0 CDADMM COC(=O)c1cccc2[n-]c(OC3CC(O)C3)nc21 ZINC001218260356 898551087 /nfs/dbraw/zinc/55/10/87/898551087.db2.gz QVRHIZUSVRQRGX-UHFFFAOYSA-N -1 1 262.265 1.252 20 0 CDADMM COC(=O)c1cccc2nc(OC3CC(O)C3)[n-]c21 ZINC001218260356 898551099 /nfs/dbraw/zinc/55/10/99/898551099.db2.gz QVRHIZUSVRQRGX-UHFFFAOYSA-N -1 1 262.265 1.252 20 0 CDADMM Nc1ccccc1N(C(=O)Cc1nn[n-]n1)c1ccccc1 ZINC001176842473 914304047 /nfs/dbraw/zinc/30/40/47/914304047.db2.gz JREKMUKAUIOVKO-UHFFFAOYSA-N -1 1 294.318 1.689 20 0 CDADMM CC(C)(C)[C@H]1CC[C@@H](NC(=O)Cc2nn[n-]n2)CC1 ZINC001176846983 914347558 /nfs/dbraw/zinc/34/75/58/914347558.db2.gz CUZRZPOFDKHVRO-AOOOYVTPSA-N -1 1 265.361 1.463 20 0 CDADMM CCOc1ccc([C@@H](C)NC(=O)Cc2nn[n-]n2)cc1 ZINC001176847343 914346660 /nfs/dbraw/zinc/34/66/60/914346660.db2.gz SAQZIGUFPKVNRK-SECBINFHSA-N -1 1 275.312 1.018 20 0 CDADMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)nc2F)CO1 ZINC000692863982 900805301 /nfs/dbraw/zinc/80/53/01/900805301.db2.gz YVAZSDFQHFHTJK-NKWVEPMBSA-N -1 1 294.735 1.330 20 0 CDADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NCc1ccon1 ZINC001481803842 902166233 /nfs/dbraw/zinc/16/62/33/902166233.db2.gz ROFOPJNXBWKQBV-JTQLQIEISA-N -1 1 290.323 1.073 20 0 CDADMM Cc1cc(C[C@H](C)NC(=O)c2ccncc2[O-])on1 ZINC001188622313 921126797 /nfs/dbraw/zinc/12/67/97/921126797.db2.gz SIAAHXKTLHUPJG-QMMMGPOBSA-N -1 1 261.281 1.445 20 0 CDADMM CSc1nc(Nc2cnc3nccnc3c2)cc(=O)[n-]1 ZINC001213212470 908028980 /nfs/dbraw/zinc/02/89/80/908028980.db2.gz FBTPMOLSASYKTE-UHFFFAOYSA-N -1 1 286.320 1.986 20 0 CDADMM O=C(Nc1nc[n-]c(=O)c1Br)C1CC(F)C1 ZINC001142571804 909474823 /nfs/dbraw/zinc/47/48/23/909474823.db2.gz VMAWSYJIYRVDFX-UHFFFAOYSA-N -1 1 290.092 1.631 20 0 CDADMM O=S(=O)(Cc1cccc(F)c1F)[N-][C@H]1COC[C@@H]1F ZINC001189492095 921517943 /nfs/dbraw/zinc/51/79/43/921517943.db2.gz VCUHPDANQYTHBR-UWVGGRQHSA-N -1 1 295.282 1.121 20 0 CDADMM Nc1cccc(N(c2c([O-])cccc2F)S(N)(=O)=O)c1 ZINC001249997052 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365792089 /nfs/dbraw/zinc/79/20/89/365792089.db2.gz AXDDBXPWTHZIJA-GFCCVEGCSA-N -1 1 298.343 1.499 20 0 CDADMM COCCCn1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)n1 ZINC000274751705 365792096 /nfs/dbraw/zinc/79/20/96/365792096.db2.gz AXDDBXPWTHZIJA-GFCCVEGCSA-N -1 1 298.343 1.499 20 0 CDADMM Cc1ccc(NC(=O)CCCc2nn[n-]n2)c(C)n1 ZINC000635669734 362341887 /nfs/dbraw/zinc/34/18/87/362341887.db2.gz GHHRPWGYMFDJQU-UHFFFAOYSA-N -1 1 260.301 1.173 20 0 CDADMM O=C(Nc1ccncc1[O-])c1noc2c1CCCC2 ZINC000332220783 362423549 /nfs/dbraw/zinc/42/35/49/362423549.db2.gz ALNCGYOESBFMON-UHFFFAOYSA-N -1 1 259.265 1.328 20 0 CDADMM CC(C)(NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1nn[n-]n1 ZINC000095195939 362438191 /nfs/dbraw/zinc/43/81/91/362438191.db2.gz PEMWRUUQZGKWRO-MNOVXSKESA-N -1 1 271.324 1.355 20 0 CDADMM CN1CCCC[C@@H](C(=O)Nc2ccc(F)cc2[O-])C1=O ZINC000635739611 362463515 /nfs/dbraw/zinc/46/35/15/362463515.db2.gz RCKFCBMBVQYMAX-JTQLQIEISA-N -1 1 280.299 1.728 20 0 CDADMM 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286.378 1.346 20 0 CDADMM CC(C)[C@H](NC(=O)c1ncccc1[O-])C(C)(C)O ZINC000276804713 366159911 /nfs/dbraw/zinc/15/99/11/366159911.db2.gz SQRMTZYHWOZUJA-NSHDSACASA-N -1 1 252.314 1.313 20 0 CDADMM O=S1(=O)CC[C@H](C[NH2+]Cc2c(F)ccc(O)c2F)C1 ZINC000293504733 370662623 /nfs/dbraw/zinc/66/26/23/370662623.db2.gz AEAQQNWVGBMHPN-MRVPVSSYSA-N -1 1 291.319 1.195 20 0 CDADMM CO[C@@H]1C[C@H](C(=O)[O-])[N@@H+](CCOc2ccccc2)C1 ZINC000569463219 358491538 /nfs/dbraw/zinc/49/15/38/358491538.db2.gz LAZMHFHYOHKLOO-CHWSQXEVSA-N -1 1 265.309 1.239 20 0 CDADMM CO[C@@H]1C[C@H](C(=O)[O-])N(CCOc2ccccc2)C1 ZINC000569463219 358491541 /nfs/dbraw/zinc/49/15/41/358491541.db2.gz LAZMHFHYOHKLOO-CHWSQXEVSA-N -1 1 265.309 1.239 20 0 CDADMM COCc1cccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1 ZINC000273587774 192218146 /nfs/dbraw/zinc/21/81/46/192218146.db2.gz RNTJLSUVXQDBRK-SNVBAGLBSA-N -1 1 289.339 1.222 20 0 CDADMM CCOC(=O)[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000037760782 356527377 /nfs/dbraw/zinc/52/73/77/356527377.db2.gz 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CO[C@@H](C)CN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000186179661 357621008 /nfs/dbraw/zinc/62/10/08/357621008.db2.gz XGHCNWLKSLEQPP-QMMMGPOBSA-N -1 1 267.354 1.451 20 0 CDADMM CCC(C)(C)NC(=O)[C@@H](C)Sc1ncc(C(=O)OC)[n-]1 ZINC000187599095 357785069 /nfs/dbraw/zinc/78/50/69/357785069.db2.gz YSYMWLARADEJEX-MRVPVSSYSA-N -1 1 299.396 1.982 20 0 CDADMM CCC(C)(C)NC(=O)[C@@H](C)Sc1nc(C(=O)OC)c[n-]1 ZINC000187599095 357785071 /nfs/dbraw/zinc/78/50/71/357785071.db2.gz YSYMWLARADEJEX-MRVPVSSYSA-N -1 1 299.396 1.982 20 0 CDADMM CC[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(N)=O ZINC000188133846 357850408 /nfs/dbraw/zinc/85/04/08/357850408.db2.gz PRAPUABQMPZSGT-MRVPVSSYSA-N -1 1 253.327 1.416 20 0 CDADMM CC[C@]1(CO)CCCN(C(=O)c2cncc([O-])c2)C1 ZINC000189611412 358032021 /nfs/dbraw/zinc/03/20/21/358032021.db2.gz PFMFVFKRYFSIPN-AWEZNQCLSA-N -1 1 264.325 1.412 20 0 CDADMM CC(C)N1CC[C@@H](NC(=O)c2cc(F)ccc2[O-])C1=O ZINC000080028265 358086057 /nfs/dbraw/zinc/08/60/57/358086057.db2.gz SXWHVSUBTZSWJV-LLVKDONJSA-N -1 1 280.299 1.270 20 0 CDADMM COc1ccc(F)c([N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000088546979 358373917 /nfs/dbraw/zinc/37/39/17/358373917.db2.gz KTCRBYATBDOZGZ-JTQLQIEISA-N -1 1 289.328 1.755 20 0 CDADMM Cc1c(F)cccc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000569592076 358660609 /nfs/dbraw/zinc/66/06/09/358660609.db2.gz SRZUHUCLMMDTBN-SNVBAGLBSA-N -1 1 289.314 1.667 20 0 CDADMM Cc1cc(S(=O)(=O)[N-]c2cc(C)cn(C)c2=O)sn1 ZINC000634790554 358704373 /nfs/dbraw/zinc/70/43/73/358704373.db2.gz LRKZYDYVJHYOEU-UHFFFAOYSA-N -1 1 299.377 1.259 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccc([O-])cc2F)CC[S@@]1=O ZINC000277509823 366496486 /nfs/dbraw/zinc/49/64/86/366496486.db2.gz JUTGXVQMVAEQHO-UGZDLDLSSA-N -1 1 285.340 1.514 20 0 CDADMM COCc1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1 ZINC000345741263 358857270 /nfs/dbraw/zinc/85/72/70/358857270.db2.gz UHCZHTHEGBDMTH-UHFFFAOYSA-N -1 1 284.275 1.837 20 0 CDADMM CCNC(=O)[C@H](C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000042294585 358930434 /nfs/dbraw/zinc/93/04/34/358930434.db2.gz SZDIKYPKWPOOOP-JTQLQIEISA-N -1 1 286.331 1.800 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H](CC)SC)n1 ZINC000339173172 359302667 /nfs/dbraw/zinc/30/26/67/359302667.db2.gz MVRRHKKIJAXJDT-MRVPVSSYSA-N -1 1 271.342 1.667 20 0 CDADMM C[C@@H](c1ccco1)N(Cc1nc(=O)n(C)[n-]1)C1CC1 ZINC000347478747 359419576 /nfs/dbraw/zinc/41/95/76/359419576.db2.gz FTNUXPFYKSKHKF-VIFPVBQESA-N -1 1 262.313 1.427 20 0 CDADMM COc1ccc2[nH]c(=NC(=O)c3cn[n-]n3)sc2c1 ZINC000047816726 359468794 /nfs/dbraw/zinc/46/87/94/359468794.db2.gz WQUYRFPMUBOUEV-UHFFFAOYSA-N -1 1 275.293 1.097 20 0 CDADMM CC[C@@H](C)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000027931254 359509360 /nfs/dbraw/zinc/50/93/60/359509360.db2.gz JZHAZKHEOZFAIM-ZCFIWIBFSA-N -1 1 251.739 1.150 20 0 CDADMM C[C@](O)(CNC(=O)c1c(F)ccc([O-])c1F)C1CC1 ZINC000563570693 316332236 /nfs/dbraw/zinc/33/22/36/316332236.db2.gz GPRPPVPYAFSERJ-ZDUSSCGKSA-N -1 1 271.263 1.561 20 0 CDADMM C[C@@H]1CC[C@@H](C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC000347727759 359553261 /nfs/dbraw/zinc/55/32/61/359553261.db2.gz 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BRDQIAYJBZIUOP-LURJTMIESA-N -1 1 281.243 1.998 20 0 CDADMM C[C@H](CCO)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000120322098 360027731 /nfs/dbraw/zinc/02/77/31/360027731.db2.gz LATIIZDXKABQDH-ZCFIWIBFSA-N -1 1 283.271 1.153 20 0 CDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000628509345 360098221 /nfs/dbraw/zinc/09/82/21/360098221.db2.gz KQKZLTULTZTZDB-PHIMTYICSA-N -1 1 286.335 1.073 20 0 CDADMM Cc1ccc(C(=O)Nc2nc(SCCO)n[nH]2)cc1F ZINC000120693850 360070769 /nfs/dbraw/zinc/07/07/69/360070769.db2.gz ZZJFRBFFDIMCGQ-UHFFFAOYSA-N -1 1 296.327 1.589 20 0 CDADMM CC[C@@H](C)Oc1ccc(C(=O)Nc2nnn[n-]2)cc1 ZINC000176625874 189001833 /nfs/dbraw/zinc/00/18/33/189001833.db2.gz XOHHUKQCVRERIO-MRVPVSSYSA-N -1 1 261.285 1.629 20 0 CDADMM CC[C@@H](C)Oc1ccc(C(=O)Nc2nn[n-]n2)cc1 ZINC000176625874 189001834 /nfs/dbraw/zinc/00/18/34/189001834.db2.gz XOHHUKQCVRERIO-MRVPVSSYSA-N -1 1 261.285 1.629 20 0 CDADMM CO[C@]1(C)C[C@@H](NC(=O)c2ncccc2[O-])C1(C)C ZINC000153932205 360290923 /nfs/dbraw/zinc/29/09/23/360290923.db2.gz HIDPCYINTAGZLW-QMTHXVAHSA-N -1 1 264.325 1.721 20 0 CDADMM O=C(N[C@H]1CCC[C@H](F)C1)c1nc2ccccc2c(=O)[n-]1 ZINC000335478829 360336609 /nfs/dbraw/zinc/33/66/09/360336609.db2.gz NZROSMISVVDDIS-UWVGGRQHSA-N -1 1 289.310 1.934 20 0 CDADMM CC(C)(C)c1nc(CN2CCC[C@@H](C(=O)[O-])C2)n[nH]1 ZINC000515066870 360430333 /nfs/dbraw/zinc/43/03/33/360430333.db2.gz XIGSTUDUQRHBJK-SECBINFHSA-N -1 1 266.345 1.399 20 0 CDADMM C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000337946255 360561255 /nfs/dbraw/zinc/56/12/55/360561255.db2.gz ZRWFYHVPYDGWQX-MNOVXSKESA-N -1 1 291.351 1.212 20 0 CDADMM CCCN(CCC)C(=O)CNC(=O)c1ncccc1[O-] ZINC000337948691 360578359 /nfs/dbraw/zinc/57/83/59/360578359.db2.gz VDCKPPTULCFVRN-UHFFFAOYSA-N -1 1 279.340 1.166 20 0 CDADMM O=C(NCCC1CC(O)C1)c1csc(=NC2CC2)[n-]1 ZINC000515964828 360549298 /nfs/dbraw/zinc/54/92/98/360549298.db2.gz HULNGYBNZDIXJQ-UHFFFAOYSA-N -1 1 281.381 1.030 20 0 CDADMM CCc1ccc(NC(=O)CCCc2nn[n-]n2)cc1 ZINC000635072319 360736952 /nfs/dbraw/zinc/73/69/52/360736952.db2.gz ORTGYFVQMSFQAB-UHFFFAOYSA-N -1 1 259.313 1.724 20 0 CDADMM O=C(CCCc1nn[n-]n1)NCCc1cccc(F)c1 ZINC000635130670 360821193 /nfs/dbraw/zinc/82/11/93/360821193.db2.gz QZBCIPMDKPRQTE-UHFFFAOYSA-N -1 1 277.303 1.020 20 0 CDADMM COC(=O)C[C@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000179145121 189172432 /nfs/dbraw/zinc/17/24/32/189172432.db2.gz LXNUHNACXHYAFA-SNVBAGLBSA-N -1 1 281.283 1.699 20 0 CDADMM O=C(CCCc1nn[n-]n1)NCC1(c2ccccc2)CCC1 ZINC000635172069 360891267 /nfs/dbraw/zinc/89/12/67/360891267.db2.gz YBOQWVCPLMDSKY-UHFFFAOYSA-N -1 1 299.378 1.761 20 0 CDADMM C[C@@H](N(C)C(=O)CCCc1nn[n-]n1)C(C)(C)C ZINC000635224826 360967983 /nfs/dbraw/zinc/96/79/83/360967983.db2.gz YLSRLTVAQZJMTL-SECBINFHSA-N -1 1 253.350 1.415 20 0 CDADMM CC(C)(C)c1ncc(C(=O)Nc2ccncc2[O-])cn1 ZINC000580733349 361001171 /nfs/dbraw/zinc/00/11/71/361001171.db2.gz FNVXGIORLXBIHZ-UHFFFAOYSA-N -1 1 272.308 1.549 20 0 CDADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H](OCCO)C1 ZINC000179883608 189225668 /nfs/dbraw/zinc/22/56/68/189225668.db2.gz HBOPLYQCRZLDEW-NSHDSACASA-N -1 1 283.299 1.145 20 0 CDADMM CC[C@H]1CCCC[C@H]1NC(=O)CCCc1nn[n-]n1 ZINC000635271338 361040460 /nfs/dbraw/zinc/04/04/60/361040460.db2.gz PKVOSEOMNMOONE-WDEREUQCSA-N -1 1 265.361 1.607 20 0 CDADMM C[C@H](C[S@](C)=O)NC(=O)c1c([O-])cccc1F ZINC000131847729 361159477 /nfs/dbraw/zinc/15/94/77/361159477.db2.gz ASTBHLJPAFJTPV-IWEMQMMOSA-N -1 1 259.302 1.028 20 0 CDADMM CN(C)C(=O)Nc1cccc(C[N-]C(=O)C(F)(F)F)c1 ZINC000132075173 361187059 /nfs/dbraw/zinc/18/70/59/361187059.db2.gz ZXHPMBSZURAUJN-UHFFFAOYSA-N -1 1 289.257 1.959 20 0 CDADMM COC(=O)c1ccccc1CN1CCC(C(=O)[O-])CC1 ZINC000566299917 370676088 /nfs/dbraw/zinc/67/60/88/370676088.db2.gz COKGWADDGNBOCN-UHFFFAOYSA-N -1 1 277.320 1.770 20 0 CDADMM CC(C)C[C@H](NC(=O)Cc1[nH]nc2ccccc21)C(=O)[O-] ZINC000236599284 361348200 /nfs/dbraw/zinc/34/82/00/361348200.db2.gz FWNQADFVZXLOIN-ZDUSSCGKSA-N -1 1 289.335 1.721 20 0 CDADMM C[C@H](NC(=O)NCc1ccc(O)c(F)c1)c1nnc[nH]1 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NC(=O)Nc1cccc(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000436762896 361572314 /nfs/dbraw/zinc/57/23/14/361572314.db2.gz DSDRVXKIERFTJV-UHFFFAOYSA-N -1 1 299.286 1.704 20 0 CDADMM COCC1([N-]S(=O)(=O)c2cc(C)ns2)CCCC1 ZINC000632546559 361570783 /nfs/dbraw/zinc/57/07/83/361570783.db2.gz UMPDZEVWSYPFFM-UHFFFAOYSA-N -1 1 290.410 1.689 20 0 CDADMM Nc1ncncc1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000436668932 361553824 /nfs/dbraw/zinc/55/38/24/361553824.db2.gz FUHYGOXCKYQEDT-UHFFFAOYSA-N -1 1 294.314 1.678 20 0 CDADMM O=C(NCCNc1ccccn1)C(=O)c1ccc([O-])cc1 ZINC000436883547 361598413 /nfs/dbraw/zinc/59/84/13/361598413.db2.gz AUOJWPULFDVXES-UHFFFAOYSA-N -1 1 285.303 1.198 20 0 CDADMM O=C(NCc1ccnc2ccnn21)c1ccc([O-])cc1F ZINC000436889889 361600162 /nfs/dbraw/zinc/60/01/62/361600162.db2.gz AGXVJYDNSHWCHT-UHFFFAOYSA-N -1 1 286.266 1.504 20 0 CDADMM O=C(N[C@@H](CO)Cc1cccnc1)c1cc(F)ccc1[O-] ZINC000436902781 361604439 /nfs/dbraw/zinc/60/44/39/361604439.db2.gz RBIYUPZMKZBBEM-GFCCVEGCSA-N -1 1 290.294 1.260 20 0 CDADMM CCn1cccc(CNC(=O)c2c([O-])cccc2F)c1=O ZINC000436816642 361581202 /nfs/dbraw/zinc/58/12/02/361581202.db2.gz TVEKNVUDWOCZAR-UHFFFAOYSA-N -1 1 290.294 1.643 20 0 CDADMM COC(=O)[C@H](CC(F)F)NC(=O)c1c([O-])cccc1F ZINC000436986399 361631101 /nfs/dbraw/zinc/63/11/01/361631101.db2.gz FWBFXMZGGRPIPM-ZETCQYMHSA-N -1 1 291.225 1.458 20 0 CDADMM O=C(N[C@H](CCO)c1ccco1)c1c([O-])cccc1F ZINC000436939812 361614519 /nfs/dbraw/zinc/61/45/19/361614519.db2.gz RFIQQOBLZHANIX-SNVBAGLBSA-N -1 1 279.267 1.978 20 0 CDADMM O=C([O-])c1ccccc1NS(=O)(=O)c1cccnc1 ZINC000019472937 361643633 /nfs/dbraw/zinc/64/36/33/361643633.db2.gz AVVXYUCGQWDJMD-UHFFFAOYSA-N -1 1 278.289 1.581 20 0 CDADMM CC1(C)[C@H](O)C[C@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000336626476 363889941 /nfs/dbraw/zinc/88/99/41/363889941.db2.gz NPWQWPOTTFFPQR-RKDXNWHRSA-N -1 1 271.263 1.560 20 0 CDADMM O=C(NCCC1CC(F)(F)C1)c1cncc([O-])c1 ZINC000457174699 363941115 /nfs/dbraw/zinc/94/11/15/363941115.db2.gz DDLRAWZSRRZKQL-UHFFFAOYSA-N -1 1 256.252 1.952 20 0 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CCCNC(=O)C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084936052 279249053 /nfs/dbraw/zinc/24/90/53/279249053.db2.gz XYGMMWKXWGCLDV-UHFFFAOYSA-N -1 1 296.348 1.237 20 0 CDADMM CCC(CC)[C@H](O)CNc1nc(-c2nn[n-]n2)ccc1C ZINC001590431460 1173407873 /nfs/dbraw/zinc/40/78/73/1173407873.db2.gz GDDPHHHOTDTMIZ-GFCCVEGCSA-N -1 1 290.371 1.779 20 0 CDADMM CN(C)c1cccc(CNC(=O)c2c([O-])cccc2F)n1 ZINC000130758750 279652212 /nfs/dbraw/zinc/65/22/12/279652212.db2.gz AMJKOLBSRSEOIH-UHFFFAOYSA-N -1 1 289.310 1.922 20 0 CDADMM CC1(C)CC[C@H](CN2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)O1 ZINC000334027849 281128064 /nfs/dbraw/zinc/12/80/64/281128064.db2.gz IPONGQIOLIVRNS-WDEREUQCSA-N -1 1 280.372 1.647 20 0 CDADMM C[C@@H](CN(C)C(=O)c1cc(-c2ccoc2)[nH]n1)C(=O)[O-] ZINC000532601692 282005551 /nfs/dbraw/zinc/00/55/51/282005551.db2.gz HORHKOZJAWHXBE-QMMMGPOBSA-N -1 1 277.280 1.462 20 0 CDADMM O=C([O-])C1(NCC(=O)Nc2ccc(F)cc2)CCCC1 ZINC000532712857 282028760 /nfs/dbraw/zinc/02/87/60/282028760.db2.gz YTJNJANWFWODGO-UHFFFAOYSA-N -1 1 280.299 1.751 20 0 CDADMM O=C([O-])C1(NCC(=O)N2CCc3ccccc32)CCCC1 ZINC000532882138 282060804 /nfs/dbraw/zinc/06/08/04/282060804.db2.gz ZZORLSFWGIILSQ-UHFFFAOYSA-N -1 1 288.347 1.563 20 0 CDADMM CCNC(=O)CN(CC)C(=O)c1ccc(Cl)cc1[O-] ZINC000052077003 289051145 /nfs/dbraw/zinc/05/11/45/289051145.db2.gz IIQLPCTVDAZGOU-UHFFFAOYSA-N -1 1 284.743 1.644 20 0 CDADMM CC[C@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)[C@@H]1C ZINC001590514991 1173443884 /nfs/dbraw/zinc/44/38/84/1173443884.db2.gz SKHDHBNAYSXYJP-ZJUUUORDSA-N -1 1 258.329 1.887 20 0 CDADMM CC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)[C@@H]1C ZINC001590514991 1173443890 /nfs/dbraw/zinc/44/38/90/1173443890.db2.gz SKHDHBNAYSXYJP-ZJUUUORDSA-N -1 1 258.329 1.887 20 0 CDADMM CN(C(=O)c1cc(=O)n2[n-]cnc2n1)C1CCCCCC1 ZINC000544685702 289649166 /nfs/dbraw/zinc/64/91/66/289649166.db2.gz CHRGLKPIHWZRCF-UHFFFAOYSA-N -1 1 289.339 1.212 20 0 CDADMM O=S(=O)(N=c1cc2ccccn2[n-]1)c1cccc(F)c1 ZINC000551953419 290032430 /nfs/dbraw/zinc/03/24/30/290032430.db2.gz 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/nfs/dbraw/zinc/11/96/55/293119655.db2.gz WKYPFYHIPXDXKV-UHFFFAOYSA-N -1 1 291.332 1.730 20 0 CDADMM CCCCC(=O)Cn1c(C)c(C)nc1-c1nnn[n-]1 ZINC001590569241 1173459836 /nfs/dbraw/zinc/45/98/36/1173459836.db2.gz CCLPGTFDXMQHEU-UHFFFAOYSA-N -1 1 262.317 1.439 20 0 CDADMM CCCCC(=O)Cn1c(C)c(C)nc1-c1nn[n-]n1 ZINC001590569241 1173459845 /nfs/dbraw/zinc/45/98/45/1173459845.db2.gz CCLPGTFDXMQHEU-UHFFFAOYSA-N -1 1 262.317 1.439 20 0 CDADMM CC(C)CN1CCN(C(=O)[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000565047411 293506982 /nfs/dbraw/zinc/50/69/82/293506982.db2.gz QGTGZEMYQJVQIC-LBPRGKRZSA-N -1 1 270.373 1.143 20 0 CDADMM CCCC[C@H](COC)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001590581845 1173469930 /nfs/dbraw/zinc/46/99/30/1173469930.db2.gz OCPPHOALHLANOG-SECBINFHSA-N -1 1 277.332 1.274 20 0 CDADMM CCCC[C@H](COC)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001590581845 1173469934 /nfs/dbraw/zinc/46/99/34/1173469934.db2.gz OCPPHOALHLANOG-SECBINFHSA-N -1 1 277.332 1.274 20 0 CDADMM O=C(c1ncccc1[O-])N1CCC[C@H]1c1ncon1 ZINC000568815005 294104027 /nfs/dbraw/zinc/10/40/27/294104027.db2.gz FIABPXBHEVDGCJ-QMMMGPOBSA-N -1 1 260.253 1.148 20 0 CDADMM Cc1o[n-]c(=N)c1S(=O)(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000568933294 294124939 /nfs/dbraw/zinc/12/49/39/294124939.db2.gz IRDKZTMLKZGQLF-WPRPVWTQSA-N -1 1 287.385 1.500 20 0 CDADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1C ZINC000568933294 294124941 /nfs/dbraw/zinc/12/49/41/294124941.db2.gz IRDKZTMLKZGQLF-WPRPVWTQSA-N -1 1 287.385 1.500 20 0 CDADMM COC[C@H]1CN(CCc2ccccc2C(=O)[O-])C[C@H](C)O1 ZINC000571171946 294382715 /nfs/dbraw/zinc/38/27/15/294382715.db2.gz FSZPDHSHRVLADH-GXTWGEPZSA-N -1 1 293.363 1.663 20 0 CDADMM CO[C@](C)([C@H](C)NC(=O)c1ncccc1[O-])C1CC1 ZINC000413945699 294785433 /nfs/dbraw/zinc/78/54/33/294785433.db2.gz GLJZMQULWNQRNZ-LKFCYVNXSA-N -1 1 264.325 1.721 20 0 CDADMM C[C@H]1CCCC[C@]1(C)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000574901443 295073072 /nfs/dbraw/zinc/07/30/72/295073072.db2.gz MTHVACLAWRWDJL-XPTSAGLGSA-N -1 1 289.339 1.116 20 0 CDADMM CCN(CC)C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590683904 1173488473 /nfs/dbraw/zinc/48/84/73/1173488473.db2.gz HYHHAOMJRUPIHA-UHFFFAOYSA-N -1 1 281.266 1.627 20 0 CDADMM CCN(CC)C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590683904 1173488479 /nfs/dbraw/zinc/48/84/79/1173488479.db2.gz HYHHAOMJRUPIHA-UHFFFAOYSA-N -1 1 281.266 1.627 20 0 CDADMM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc2[nH]nnc2c1 ZINC000263494058 300054018 /nfs/dbraw/zinc/05/40/18/300054018.db2.gz JDMYIIMTDORUMQ-WPRPVWTQSA-N -1 1 288.307 1.283 20 0 CDADMM CCO[C@H]1C[C@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001590822243 1173523242 /nfs/dbraw/zinc/52/32/42/1173523242.db2.gz BUMOTCOZZCEKFY-ZKCHVHJHSA-N -1 1 294.336 1.653 20 0 CDADMM CCO[C@H]1C[C@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001590822243 1173523250 /nfs/dbraw/zinc/52/32/50/1173523250.db2.gz BUMOTCOZZCEKFY-ZKCHVHJHSA-N -1 1 294.336 1.653 20 0 CDADMM CN(C[C@@H]1CC=CCC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001591054438 1173568711 /nfs/dbraw/zinc/56/87/11/1173568711.db2.gz GNFMVMMMUCPELT-SNVBAGLBSA-N -1 1 271.328 1.449 20 0 CDADMM CN(C[C@@H]1CC=CCC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001591054438 1173568720 /nfs/dbraw/zinc/56/87/20/1173568720.db2.gz GNFMVMMMUCPELT-SNVBAGLBSA-N -1 1 271.328 1.449 20 0 CDADMM COC(C)(C)C[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001591316711 1173601096 /nfs/dbraw/zinc/60/10/96/1173601096.db2.gz OJMIFVYUVHCUPH-MRVPVSSYSA-N -1 1 277.332 1.272 20 0 CDADMM COC(C)(C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001591316711 1173601100 /nfs/dbraw/zinc/60/11/00/1173601100.db2.gz OJMIFVYUVHCUPH-MRVPVSSYSA-N -1 1 277.332 1.272 20 0 CDADMM CO[C@@H](COc1ccc(F)nc1-c1nn[n-]n1)C1CC1 ZINC001591333985 1173615261 /nfs/dbraw/zinc/61/52/61/1173615261.db2.gz GWMCRAUITNASHY-VIFPVBQESA-N -1 1 279.275 1.205 20 0 CDADMM COC[C@H](CNc1ccc(C)nc1-c1nnn[n-]1)C(C)C ZINC001591377060 1173636583 /nfs/dbraw/zinc/63/65/83/1173636583.db2.gz BXYKHCQHKIZIID-NSHDSACASA-N -1 1 290.371 1.901 20 0 CDADMM COC[C@H](CNc1ccc(C)nc1-c1nn[n-]n1)C(C)C ZINC001591377060 1173636588 /nfs/dbraw/zinc/63/65/88/1173636588.db2.gz BXYKHCQHKIZIID-NSHDSACASA-N -1 1 290.371 1.901 20 0 CDADMM COC[C@@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)C(C)C ZINC001591382605 1173638512 /nfs/dbraw/zinc/63/85/12/1173638512.db2.gz KMYURYIVGZAPBL-SNVBAGLBSA-N -1 1 277.332 1.048 20 0 CDADMM COC[C@@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)C(C)C ZINC001591382605 1173638520 /nfs/dbraw/zinc/63/85/20/1173638520.db2.gz KMYURYIVGZAPBL-SNVBAGLBSA-N -1 1 277.332 1.048 20 0 CDADMM COc1ncc(NC(=O)[C@@H](F)C(C)C)cc1-c1nn[n-]n1 ZINC001591665329 1173677869 /nfs/dbraw/zinc/67/78/69/1173677869.db2.gz VKBHTGWNBHRBGT-VIFPVBQESA-N -1 1 294.290 1.203 20 0 CDADMM CSC1(CNc2nc(C)cc(-c3nnn[n-]3)n2)CCC1 ZINC001591691976 1173683470 /nfs/dbraw/zinc/68/34/70/1173683470.db2.gz NVYCLHAFXNZVOU-UHFFFAOYSA-N -1 1 291.384 1.663 20 0 CDADMM CSC1(CNc2nc(C)cc(-c3nn[n-]n3)n2)CCC1 ZINC001591691976 1173683473 /nfs/dbraw/zinc/68/34/73/1173683473.db2.gz NVYCLHAFXNZVOU-UHFFFAOYSA-N -1 1 291.384 1.663 20 0 CDADMM CSCCCN(C)c1cccnc1-c1nnn[n-]1 ZINC001591699312 1173686056 /nfs/dbraw/zinc/68/60/56/1173686056.db2.gz PLCXWXXZUPIWRE-UHFFFAOYSA-N -1 1 264.358 1.451 20 0 CDADMM CSCCCN(C)c1cccnc1-c1nn[n-]n1 ZINC001591699312 1173686058 /nfs/dbraw/zinc/68/60/58/1173686058.db2.gz PLCXWXXZUPIWRE-UHFFFAOYSA-N -1 1 264.358 1.451 20 0 CDADMM CSCCCNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001591699905 1173689515 /nfs/dbraw/zinc/68/95/15/1173689515.db2.gz OEVPDUGPPQUEED-UHFFFAOYSA-N -1 1 264.358 1.735 20 0 CDADMM CSCCCNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001591699905 1173689520 /nfs/dbraw/zinc/68/95/20/1173689520.db2.gz OEVPDUGPPQUEED-UHFFFAOYSA-N -1 1 264.358 1.735 20 0 CDADMM CN(C)S(=O)(=O)[N-]c1ccn(Cc2ccccc2)n1 ZINC000172886787 315867572 /nfs/dbraw/zinc/86/75/72/315867572.db2.gz PASPTTDMSVGCMI-UHFFFAOYSA-N -1 1 280.353 1.150 20 0 CDADMM NC(=O)c1cc(-c2nc(-c3ccc([O-])cc3F)no2)co1 ZINC000350818270 316207870 /nfs/dbraw/zinc/20/78/70/316207870.db2.gz ZCGKMLLBWGEKQB-UHFFFAOYSA-N -1 1 289.222 1.940 20 0 CDADMM CC(C)C1CCC([N@@H+](C)CC(=O)Nc2nnn[n-]2)CC1 ZINC000577718020 317386957 /nfs/dbraw/zinc/38/69/57/317386957.db2.gz SFHSCPXDXXAYRA-UHFFFAOYSA-N -1 1 280.376 1.285 20 0 CDADMM Cc1cc(NCCCC2(O)CCC2)cc(-c2nnn[n-]2)n1 ZINC001592046305 1173787356 /nfs/dbraw/zinc/78/73/56/1173787356.db2.gz AMRQJFOFAPHERH-UHFFFAOYSA-N -1 1 288.355 1.677 20 0 CDADMM Cc1cc(NCCCC2(O)CCC2)cc(-c2nn[n-]n2)n1 ZINC001592046305 1173787358 /nfs/dbraw/zinc/78/73/58/1173787358.db2.gz AMRQJFOFAPHERH-UHFFFAOYSA-N -1 1 288.355 1.677 20 0 CDADMM O=C(NC[C@H]1CCC[C@H](O)C1)c1c([O-])cccc1F ZINC000187016588 323418785 /nfs/dbraw/zinc/41/87/85/323418785.db2.gz VYFZVURJHHQZDY-UWVGGRQHSA-N -1 1 267.300 1.812 20 0 CDADMM CO[C@H](C)CS(=O)(=O)[N-]c1cnn([C@H](C)C2CC2)c1 ZINC000193343960 323529982 /nfs/dbraw/zinc/52/99/82/323529982.db2.gz ZCZUKXGBVRHRIQ-NXEZZACHSA-N -1 1 287.385 1.631 20 0 CDADMM Cc1nc(N[C@@H]2CCC[C@@H](F)C2)cc(-c2nnn[n-]2)n1 ZINC001592382248 1173877187 /nfs/dbraw/zinc/87/71/87/1173877187.db2.gz KRWNUCBZNPRNAO-RKDXNWHRSA-N -1 1 277.307 1.658 20 0 CDADMM Cc1nc(N[C@@H]2CCC[C@@H](F)C2)cc(-c2nn[n-]n2)n1 ZINC001592382248 1173877190 /nfs/dbraw/zinc/87/71/90/1173877190.db2.gz KRWNUCBZNPRNAO-RKDXNWHRSA-N -1 1 277.307 1.658 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@@H]1O ZINC000387839105 323777996 /nfs/dbraw/zinc/77/79/96/323777996.db2.gz FJMHZBUVLGTTMV-CPCISQLKSA-N -1 1 255.701 1.498 20 0 CDADMM Cc1cnc(S[C@@H](C)C(=O)NCC(F)(F)F)[n-]c1=O ZINC000579025639 324088037 /nfs/dbraw/zinc/08/80/37/324088037.db2.gz HTYCHUVBIFZEDC-LURJTMIESA-N -1 1 295.286 1.650 20 0 CDADMM CCC1(NC(=O)c2cc(=O)n3[n-]cnc3n2)CCCCC1 ZINC000580161589 324383489 /nfs/dbraw/zinc/38/34/89/324383489.db2.gz SGOPUMTWZDKKQH-UHFFFAOYSA-N -1 1 289.339 1.260 20 0 CDADMM O=C(NC1(c2nn[n-]n2)CC1)[C@@H]1CC2CCC1CC2 ZINC000582860666 325060436 /nfs/dbraw/zinc/06/04/36/325060436.db2.gz NBRGWGAZONPGAT-UDNWOFFPSA-N -1 1 261.329 1.131 20 0 CDADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1C[C@H](C)CC(C)(C)C1 ZINC000583533487 325193616 /nfs/dbraw/zinc/19/36/16/325193616.db2.gz WHFBDLMCNCIZCH-MRVPVSSYSA-N -1 1 287.385 1.452 20 0 CDADMM Cc1nc(SCC[C@H]2CCNC2=O)[n-]c(=O)c1C ZINC000583641019 325214941 /nfs/dbraw/zinc/21/49/41/325214941.db2.gz BDUDEYLUMAMDJA-SECBINFHSA-N -1 1 267.354 1.417 20 0 CDADMM Cc1nsc(N2CC[C@@H]3[C@H](C2)C3(F)F)c1-c1nn[n-]n1 ZINC001592475182 1173900055 /nfs/dbraw/zinc/90/00/55/1173900055.db2.gz UKIPSKVDOVQSTJ-RQJHMYQMSA-N -1 1 298.322 1.723 20 0 CDADMM Cc1nsc(NC[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC001592489170 1173901310 /nfs/dbraw/zinc/90/13/10/1173901310.db2.gz LDJPJNAOQXPWOC-ZETCQYMHSA-N -1 1 266.330 1.080 20 0 CDADMM Cc1nsc(NCCC2(CO)CCC2)c1-c1nn[n-]n1 ZINC001592491275 1173902768 /nfs/dbraw/zinc/90/27/68/1173902768.db2.gz NGYGLZVPFIFJJH-UHFFFAOYSA-N -1 1 294.384 1.596 20 0 CDADMM Cc1nsc(NC(=O)N2CC[C@@H](F)C2)c1-c1nnn[n-]1 ZINC001592480834 1173903613 /nfs/dbraw/zinc/90/36/13/1173903613.db2.gz WTXOQNDPCMSCTL-ZCFIWIBFSA-N -1 1 297.319 1.207 20 0 CDADMM Cc1nsc(NC(=O)N2CC[C@@H](F)C2)c1-c1nn[n-]n1 ZINC001592480834 1173903619 /nfs/dbraw/zinc/90/36/19/1173903619.db2.gz WTXOQNDPCMSCTL-ZCFIWIBFSA-N -1 1 297.319 1.207 20 0 CDADMM CC[C@H](C)C(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001603992979 1175710915 /nfs/dbraw/zinc/71/09/15/1175710915.db2.gz VPALKVILQPYLRR-LURJTMIESA-N -1 1 280.357 1.641 20 0 CDADMM CC[C@H](C)C(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001603992979 1175710925 /nfs/dbraw/zinc/71/09/25/1175710925.db2.gz VPALKVILQPYLRR-LURJTMIESA-N -1 1 280.357 1.641 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC[C@H]([C@@H](C)O)C1 ZINC000168125075 1159770898 /nfs/dbraw/zinc/77/08/98/1159770898.db2.gz FQVFCJZYBCVXQJ-MNOVXSKESA-N -1 1 293.367 1.045 20 0 CDADMM CO[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CCO1 ZINC000683904398 482539674 /nfs/dbraw/zinc/53/96/74/482539674.db2.gz RQKJHVIDPRSTCJ-AWEZNQCLSA-N -1 1 287.315 1.990 20 0 CDADMM CC(=O)N1CCCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681015691 482657320 /nfs/dbraw/zinc/65/73/20/482657320.db2.gz LCUWLTAGNZPWHC-UHFFFAOYSA-N -1 1 280.299 1.226 20 0 CDADMM Cc1cc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)ccn1 ZINC000684127685 482658299 /nfs/dbraw/zinc/65/82/99/482658299.db2.gz NMSKEEYWYWBLDV-CYBMUJFWSA-N -1 1 294.318 1.423 20 0 CDADMM Cn1cc(CCNC(=O)c2ccc([O-])c(F)c2)cn1 ZINC000681019806 482658968 /nfs/dbraw/zinc/65/89/68/482658968.db2.gz SJTPHBODJOSGLI-UHFFFAOYSA-N -1 1 263.272 1.237 20 0 CDADMM CCC(CC)(NC(=O)c1ccc([O-])c(F)c1)C(N)=O ZINC000681037274 482666004 /nfs/dbraw/zinc/66/60/04/482666004.db2.gz FNLUKHPXDBDTNA-UHFFFAOYSA-N -1 1 268.288 1.305 20 0 CDADMM CC(=O)N1CCC(CNC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681041612 482667519 /nfs/dbraw/zinc/66/75/19/482667519.db2.gz PDDMZNURWCCSGR-UHFFFAOYSA-N -1 1 294.326 1.520 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CCc2c[nH]nc2C1 ZINC000681057557 482676461 /nfs/dbraw/zinc/67/64/61/482676461.db2.gz AUIYHXGIBVEJBB-UHFFFAOYSA-N -1 1 261.256 1.453 20 0 CDADMM O=C(C(=O)N1CCC2(CCO2)CC1)c1ccc([O-])cc1 ZINC000673154063 482698432 /nfs/dbraw/zinc/69/84/32/482698432.db2.gz ITLSLOMUGHXFPF-UHFFFAOYSA-N -1 1 275.304 1.356 20 0 CDADMM CC[C@@H]1CN(C(C)=O)CC[C@@H]1NC(=O)c1ncccc1[O-] ZINC000681741756 482984053 /nfs/dbraw/zinc/98/40/53/482984053.db2.gz BZKKUARLTGMKHV-NEPJUHHUSA-N -1 1 291.351 1.164 20 0 CDADMM CN(CCC(=O)[O-])[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000262618275 483077046 /nfs/dbraw/zinc/07/70/46/483077046.db2.gz DEBXKGIYELRQLE-ZDUSSCGKSA-N -1 1 294.326 1.728 20 0 CDADMM O=C(NCCCn1cncn1)c1ccc2ccccc2c1[O-] ZINC000078790031 483127557 /nfs/dbraw/zinc/12/75/57/483127557.db2.gz VDHYTULRNKTOJN-UHFFFAOYSA-N -1 1 296.330 1.957 20 0 CDADMM C[C@H](c1ccccc1)n1ccc([N-]S(=O)(=O)N(C)C)n1 ZINC000675284446 483269302 /nfs/dbraw/zinc/26/93/02/483269302.db2.gz CBPQYZOGUOPLCS-LLVKDONJSA-N -1 1 294.380 1.711 20 0 CDADMM CO[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CCO1 ZINC000682597049 483299522 /nfs/dbraw/zinc/29/95/22/483299522.db2.gz NCVOTOCYVBJHAQ-OAHLLOKOSA-N -1 1 287.315 1.990 20 0 CDADMM CCc1ccc(C(=O)Nc2nn3cnnc3s2)c([O-])c1 ZINC000682607716 483304953 /nfs/dbraw/zinc/30/49/53/483304953.db2.gz LNEPXWAWPLVAHB-UHFFFAOYSA-N -1 1 289.320 1.706 20 0 CDADMM CC[C@H](C)CC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000683018854 483406254 /nfs/dbraw/zinc/40/62/54/483406254.db2.gz XVCNDASJTFVNJQ-GXFFZTMASA-N -1 1 273.340 1.842 20 0 CDADMM O=C([O-])C1(NC(=O)[C@H]2CCCc3[nH]ncc32)CCCC1 ZINC000676209640 483436978 /nfs/dbraw/zinc/43/69/78/483436978.db2.gz BPVBTLNXBWWWRP-VIFPVBQESA-N -1 1 277.324 1.343 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2cccc3c2OCCO3)c1[O-] ZINC000676693952 483562272 /nfs/dbraw/zinc/56/22/72/483562272.db2.gz HZISOVNJXNWCER-UHFFFAOYSA-N -1 1 275.264 1.447 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2nc3cc(F)ccc3n2C)c1[O-] ZINC000676699207 483564640 /nfs/dbraw/zinc/56/46/40/483564640.db2.gz FAOGVIABJJPSOM-UHFFFAOYSA-N -1 1 289.270 1.702 20 0 CDADMM O=c1[nH]c(COCC(F)(F)F)nc2cc(F)c([O-])cc12 ZINC000668144926 483582811 /nfs/dbraw/zinc/58/28/11/483582811.db2.gz CKDGSDKKMRJTCE-UHFFFAOYSA-N -1 1 292.188 1.847 20 0 CDADMM Cn1[n-]c(CN2CCCc3sccc3C2)nc1=O ZINC000680374000 483600362 /nfs/dbraw/zinc/60/03/62/483600362.db2.gz RLGGUYPPDMGWDW-UHFFFAOYSA-N -1 1 264.354 1.118 20 0 CDADMM O=C(NCCC1=CCCCC1)c1cc(=O)n2[n-]cnc2n1 ZINC000541842583 518199478 /nfs/dbraw/zinc/19/94/78/518199478.db2.gz YROWYTFMQFFDAE-UHFFFAOYSA-N -1 1 287.323 1.038 20 0 CDADMM CC(=O)c1ccc(NC(=O)CN[C@H](C(=O)[O-])C2CC2)cc1 ZINC000054522955 518360565 /nfs/dbraw/zinc/36/05/65/518360565.db2.gz YSUJHVKAZSQWFS-AWEZNQCLSA-N -1 1 290.319 1.281 20 0 CDADMM CCO[C@@H]1C[C@H]1C(=O)NCCc1n[n-]c(=S)n1CC ZINC000067077884 520445454 /nfs/dbraw/zinc/44/54/54/520445454.db2.gz RVBMOMYRDLWLQV-RKDXNWHRSA-N -1 1 284.385 1.044 20 0 CDADMM CCn1c(CCNC(=O)c2cccnc2C)n[n-]c1=S ZINC000067076450 523183220 /nfs/dbraw/zinc/18/32/20/523183220.db2.gz CLXTZWGPNJHEGB-UHFFFAOYSA-N -1 1 291.380 1.637 20 0 CDADMM C[N@@H+](Cc1nc(=O)c2sccc2[n-]1)C(C)(C)C(=O)[O-] ZINC000061172967 523572098 /nfs/dbraw/zinc/57/20/98/523572098.db2.gz WJMSWIAJFSUPFE-UHFFFAOYSA-N -1 1 281.337 1.692 20 0 CDADMM CC[C@]1(C)C[C@@H]1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155478196 523586283 /nfs/dbraw/zinc/58/62/83/523586283.db2.gz SGWZXIGCMNHRBL-OPQQBVKSSA-N -1 1 263.345 1.342 20 0 CDADMM CC[C@H](C)CC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000365038792 523845364 /nfs/dbraw/zinc/84/53/64/523845364.db2.gz DHXNEOUXMOSIQP-UWVGGRQHSA-N -1 1 251.334 1.342 20 0 CDADMM C[C@H](CC1CCCC1)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000363408386 524102690 /nfs/dbraw/zinc/10/26/90/524102690.db2.gz PYWRMLSIYZKVIU-ZYHUDNBSSA-N -1 1 293.371 1.316 20 0 CDADMM Cc1cc(CN2CCSC[C@@H](C(=O)[O-])C2)cnc1F ZINC001600196799 1174402224 /nfs/dbraw/zinc/40/22/24/1174402224.db2.gz ZQCLENZFTPRYLH-NSHDSACASA-N -1 1 284.356 1.779 20 0 CDADMM O=S(=O)(C[C@H]1CCCC(F)(F)C1)c1nc[n-]n1 ZINC000337900118 527184886 /nfs/dbraw/zinc/18/48/86/527184886.db2.gz PGAAFQCXLJPDGX-ZETCQYMHSA-N -1 1 265.285 1.404 20 0 CDADMM O=C(Nc1ccc2nncn2c1)c1cncc([O-])c1 ZINC000340006272 527304822 /nfs/dbraw/zinc/30/48/22/527304822.db2.gz IMCLAAITBLHGNP-UHFFFAOYSA-N -1 1 255.237 1.082 20 0 CDADMM CC1(C)CN(C(=O)c2ccc(Cl)cc2[O-])C[C@H](CO)O1 ZINC000163177296 529104190 /nfs/dbraw/zinc/10/41/90/529104190.db2.gz WNNSFUNOCFBEHB-SNVBAGLBSA-N -1 1 299.754 1.658 20 0 CDADMM CCOCCNC(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000120100525 535623792 /nfs/dbraw/zinc/62/37/92/535623792.db2.gz KLQWDTMELJKLHV-UHFFFAOYSA-N -1 1 290.319 1.715 20 0 CDADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N(C)C[C@@H](C)O ZINC001600352700 1174451186 /nfs/dbraw/zinc/45/11/86/1174451186.db2.gz NWTJMQBAIFBASZ-MNOVXSKESA-N -1 1 294.351 1.333 20 0 CDADMM Cc1ncc(S(=O)(=O)Nc2ccsc2)cc1C(=O)[O-] ZINC001600747574 1174589475 /nfs/dbraw/zinc/58/94/75/1174589475.db2.gz QXCZWLMWRXAEDI-UHFFFAOYSA-N -1 1 298.345 1.951 20 0 CDADMM Cc1oc(CNC(=O)CCN2CC[C@H](F)C2)cc1C(=O)[O-] ZINC001600847397 1174640820 /nfs/dbraw/zinc/64/08/20/1174640820.db2.gz YCZRBGCAJACSDY-JTQLQIEISA-N -1 1 298.314 1.336 20 0 CDADMM Cc1sc(NC[C@H](C)N2CCN(C)CC2)nc1C(=O)[O-] ZINC001600888815 1174652515 /nfs/dbraw/zinc/65/25/15/1174652515.db2.gz YPKVVRTVKVHBEN-VIFPVBQESA-N -1 1 298.412 1.198 20 0 CDADMM Cn1cc(-c2ccc(CN[C@@](C)(CO)C(=O)[O-])s2)cn1 ZINC001600922613 1174666389 /nfs/dbraw/zinc/66/63/89/1174666389.db2.gz IYZDKTYYOLSRLI-ZDUSSCGKSA-N -1 1 295.364 1.074 20 0 CDADMM O=C(NC[C@H]1CC1(Cl)Cl)c1ncccc1[O-] ZINC000725882804 574455251 /nfs/dbraw/zinc/45/52/51/574455251.db2.gz BQYWGYGKWWBJIU-ZCFIWIBFSA-N -1 1 261.108 1.711 20 0 CDADMM COC(=O)c1ccc(C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)o1 ZINC000737696840 574498121 /nfs/dbraw/zinc/49/81/21/574498121.db2.gz LIHXDVWBEFILHI-VIFPVBQESA-N -1 1 281.308 1.751 20 0 CDADMM Fc1ccc(N[C@H]2CCc3[nH+]ccn3C2)c(-c2nn[nH]n2)c1 ZINC000737658683 574492882 /nfs/dbraw/zinc/49/28/82/574492882.db2.gz GXAPOIVRMXHMHT-JTQLQIEISA-N -1 1 299.313 1.629 20 0 CDADMM CC(C)(C)CC(C)(C)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000726865497 574507814 /nfs/dbraw/zinc/50/78/14/574507814.db2.gz HKAIGOVVFQCEOJ-UHFFFAOYSA-N -1 1 295.383 1.258 20 0 CDADMM CC(C)c1noc([C@H](C)N2CCN(CCC(=O)[O-])CC2)n1 ZINC000737655418 574510698 /nfs/dbraw/zinc/51/06/98/574510698.db2.gz MPSISUWPAZLOES-NSHDSACASA-N -1 1 296.371 1.346 20 0 CDADMM O=C([O-])c1ccc(CCNC(=O)Cc2cnc[nH]2)cc1 ZINC001601372357 1174848951 /nfs/dbraw/zinc/84/89/51/1174848951.db2.gz OJDAUVSNCLBTPQ-UHFFFAOYSA-N -1 1 273.292 1.009 20 0 CDADMM CC(C)(NCC(=O)NC1CCCCCCC1)C(=O)[O-] ZINC000736339617 575628815 /nfs/dbraw/zinc/62/88/15/575628815.db2.gz UUIUUDYHSROFLW-UHFFFAOYSA-N -1 1 270.373 1.668 20 0 CDADMM CC(C)N(C(=O)CNC(C)(C)C(=O)[O-])C1CCCC1 ZINC000736455471 575666187 /nfs/dbraw/zinc/66/61/87/575666187.db2.gz RZERTKHWBAIMNN-UHFFFAOYSA-N -1 1 270.373 1.619 20 0 CDADMM O=C(NC[C@@H](O)c1ccc(F)cc1)c1cncc([O-])c1 ZINC000732271661 575085452 /nfs/dbraw/zinc/08/54/52/575085452.db2.gz NKMITWFEXHGTEW-CYBMUJFWSA-N -1 1 276.267 1.390 20 0 CDADMM C[C@@H](CN(C)[C@H](C(=O)N(C)C)c1ccccc1)C(=O)[O-] ZINC000736575764 575695460 /nfs/dbraw/zinc/69/54/60/575695460.db2.gz QNTJFKOPEPSZSU-AAEUAGOBSA-N -1 1 278.352 1.468 20 0 CDADMM O=C([O-])[C@H]1[C@@H](O)CCCN1CCOC1CCCCCC1 ZINC001601754280 1174988207 /nfs/dbraw/zinc/98/82/07/1174988207.db2.gz NGZWBAPYGBZMJY-UONOGXRCSA-N -1 1 285.384 1.636 20 0 CDADMM Cc1nnc(NC(=O)c2ccc3n[n-]c(=S)n3c2)s1 ZINC000774353511 575200713 /nfs/dbraw/zinc/20/07/13/575200713.db2.gz IDWZUBHTWRFLAO-UHFFFAOYSA-N -1 1 292.349 1.430 20 0 CDADMM CCOC1CC(O)(CNC(=O)c2c([O-])cccc2Cl)C1 ZINC000769704980 575375109 /nfs/dbraw/zinc/37/51/09/575375109.db2.gz LSVCFVMLTGVNGB-UHFFFAOYSA-N -1 1 299.754 1.705 20 0 CDADMM NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1c([O-])cccc1Cl ZINC000769957030 575402990 /nfs/dbraw/zinc/40/29/90/575402990.db2.gz HZDWMFVSLAWSSS-WCBMZHEXSA-N -1 1 296.754 1.820 20 0 CDADMM CC(C)c1cc(CNc2cccc(-c3nnn[n-]3)n2)on1 ZINC000735923879 575535830 /nfs/dbraw/zinc/53/58/30/575535830.db2.gz YAHSBEMTMPSARU-UHFFFAOYSA-N -1 1 285.311 1.985 20 0 CDADMM CC(C)c1cc(CNc2cccc(-c3nn[n-]n3)n2)on1 ZINC000735923879 575535833 /nfs/dbraw/zinc/53/58/33/575535833.db2.gz YAHSBEMTMPSARU-UHFFFAOYSA-N -1 1 285.311 1.985 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccn1 ZINC000736117761 575572985 /nfs/dbraw/zinc/57/29/85/575572985.db2.gz GNBVKMKRNSPHQQ-SECBINFHSA-N -1 1 295.306 1.148 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccn1 ZINC000736117761 575572988 /nfs/dbraw/zinc/57/29/88/575572988.db2.gz GNBVKMKRNSPHQQ-SECBINFHSA-N -1 1 295.306 1.148 20 0 CDADMM C[C@@H]1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736254914 575605557 /nfs/dbraw/zinc/60/55/57/575605557.db2.gz UHTYTUZBKWXBSQ-KOLCDFICSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736254914 575605559 /nfs/dbraw/zinc/60/55/59/575605559.db2.gz UHTYTUZBKWXBSQ-KOLCDFICSA-N -1 1 286.339 1.570 20 0 CDADMM CC(C)N(C)CC(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000736454060 575665528 /nfs/dbraw/zinc/66/55/28/575665528.db2.gz DGSDJQOGAMHEBZ-CYBMUJFWSA-N -1 1 292.335 1.205 20 0 CDADMM CCOC(=O)CCOC(=O)c1sccc1-c1nn[n-]n1 ZINC000736596618 575700232 /nfs/dbraw/zinc/70/02/32/575700232.db2.gz SJLIVKTXQWFLID-UHFFFAOYSA-N -1 1 296.308 1.038 20 0 CDADMM C[C@H](O)C[N@H+]1CCN(Cc2cccc(C(=O)[O-])c2)C[C@H]1C ZINC000736675985 575715445 /nfs/dbraw/zinc/71/54/45/575715445.db2.gz HKFPQSIOJXRLED-OLZOCXBDSA-N -1 1 292.379 1.272 20 0 CDADMM CC1(C)CC(=O)N(CN2CCCC[C@H]2CC(=O)[O-])C1=O ZINC000736727631 575729293 /nfs/dbraw/zinc/72/92/93/575729293.db2.gz ZLLZCIOLJZNBHD-JTQLQIEISA-N -1 1 282.340 1.058 20 0 CDADMM CCOCCO[N-]C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000772697195 575737751 /nfs/dbraw/zinc/73/77/51/575737751.db2.gz IOFWPSXJVDLETH-LBPRGKRZSA-N -1 1 292.335 1.124 20 0 CDADMM CCC[C@@](C)(NCC(=O)NCC1CCCCC1)C(=O)[O-] ZINC000736965565 575778582 /nfs/dbraw/zinc/77/85/82/575778582.db2.gz WSKXZIAJHFEUDF-OAHLLOKOSA-N -1 1 284.400 1.916 20 0 CDADMM CCCC[C@@H](C(=O)[O-])N1CCc2ncnc(OCC)c2C1 ZINC000736977794 575781250 /nfs/dbraw/zinc/78/12/50/575781250.db2.gz CQMYMHLHWISUJL-ZDUSSCGKSA-N -1 1 293.367 1.877 20 0 CDADMM Cc1cccc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)c1 ZINC000773156143 575786600 /nfs/dbraw/zinc/78/66/00/575786600.db2.gz ZVIKJMVTKOUPFE-NSHDSACASA-N -1 1 289.364 1.438 20 0 CDADMM O=C(CC1CCCC1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773159679 575786879 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/nfs/dbraw/zinc/98/13/87/601981387.db2.gz TULHWIKYEKQVPC-SECBINFHSA-N -1 1 290.275 1.864 20 0 CDADMM C[C@H](CC(=O)[O-])C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000827283917 602071929 /nfs/dbraw/zinc/07/19/29/602071929.db2.gz XAIXXWCUDVUQIC-VXGBXAGGSA-N -1 1 294.351 1.644 20 0 CDADMM C[C@@H](CC(=O)[O-])C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000827279685 602090359 /nfs/dbraw/zinc/09/03/59/602090359.db2.gz GMQRUXQRBUPFKJ-GXSJLCMTSA-N -1 1 284.381 1.578 20 0 CDADMM CC(=O)[C@@H](C)SCc1ccnc(-c2nnn[n-]2)c1 ZINC000823967218 607550054 /nfs/dbraw/zinc/55/00/54/607550054.db2.gz KKHQZNCZFPPXKF-MRVPVSSYSA-N -1 1 263.326 1.472 20 0 CDADMM CC(=O)[C@@H](C)SCc1ccnc(-c2nn[n-]n2)c1 ZINC000823967218 607550056 /nfs/dbraw/zinc/55/00/56/607550056.db2.gz KKHQZNCZFPPXKF-MRVPVSSYSA-N -1 1 263.326 1.472 20 0 CDADMM C[C@H](O)[C@H](C)SCc1ccnc(-c2nnn[n-]2)c1 ZINC000824678204 607550464 /nfs/dbraw/zinc/55/04/64/607550464.db2.gz LYJWYKDUHBUWJR-YUMQZZPRSA-N -1 1 265.342 1.264 20 0 CDADMM C[C@H](O)[C@H](C)SCc1ccnc(-c2nn[n-]n2)c1 ZINC000824678204 607550465 /nfs/dbraw/zinc/55/04/65/607550465.db2.gz LYJWYKDUHBUWJR-YUMQZZPRSA-N -1 1 265.342 1.264 20 0 CDADMM O=C([O-])[C@@H]1CCCC[C@@H]1COC(=O)c1[nH]nc2c1CCC2 ZINC001602616186 1175324947 /nfs/dbraw/zinc/32/49/47/1175324947.db2.gz NENDZZHJQSCCSG-NXEZZACHSA-N -1 1 292.335 1.946 20 0 CDADMM CN(C(=O)CN[C@H](C(=O)[O-])C(C)(C)C)c1nccs1 ZINC000830486107 602228421 /nfs/dbraw/zinc/22/84/21/602228421.db2.gz VWDGBFCXTBWABZ-SECBINFHSA-N -1 1 285.369 1.195 20 0 CDADMM O=C([O-])Nc1ccc(C(=O)OCCc2c[nH]nn2)cc1 ZINC000832839118 604191440 /nfs/dbraw/zinc/19/14/40/604191440.db2.gz RRHSCPZSYLYGOT-UHFFFAOYSA-N -1 1 276.252 1.294 20 0 CDADMM O=C([O-])Nc1ccc(C(=O)OCCc2cnn[nH]2)cc1 ZINC000832839118 604191445 /nfs/dbraw/zinc/19/14/45/604191445.db2.gz RRHSCPZSYLYGOT-UHFFFAOYSA-N -1 1 276.252 1.294 20 0 CDADMM CC[C@H](C(=O)Nc1nc(CCC(=O)[O-])cs1)N(C)C ZINC000828586845 604344199 /nfs/dbraw/zinc/34/41/99/604344199.db2.gz KJZOBVUCLDPVIW-SECBINFHSA-N -1 1 285.369 1.439 20 0 CDADMM Cc1ccc(-c2n[nH]cc2CNC2CN(C(=O)[O-])C2)o1 ZINC000830154450 604419818 /nfs/dbraw/zinc/41/98/18/604419818.db2.gz GYSYPWJDAZZVTJ-UHFFFAOYSA-N -1 1 276.296 1.430 20 0 CDADMM CC[C@]1(C)CC(=O)N(CN2CCCC[C@@H]2CC(=O)[O-])C1=O ZINC000833645447 604507234 /nfs/dbraw/zinc/50/72/34/604507234.db2.gz GSAQMHCCALTJSA-IAQYHMDHSA-N -1 1 296.367 1.448 20 0 CDADMM C[C@@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC000263249262 604538856 /nfs/dbraw/zinc/53/88/56/604538856.db2.gz OSMBKDYHTZGJNQ-IINYFYTJSA-N -1 1 292.339 1.293 20 0 CDADMM CC(C)C[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000826800983 604710321 /nfs/dbraw/zinc/71/03/21/604710321.db2.gz UIIKAPKONHLBOC-BXKDBHETSA-N -1 1 294.355 1.066 20 0 CDADMM C[C@@H]1[C@H](C)N(C)CCN1Cc1noc(CCCC(=O)[O-])n1 ZINC000833589038 604851864 /nfs/dbraw/zinc/85/18/64/604851864.db2.gz SZVXDJHHYRKOFO-WDEREUQCSA-N -1 1 296.371 1.001 20 0 CDADMM CC1(C)SC(=O)N(CN2CCC[C@H]2CC(=O)[O-])C1=O ZINC000828082641 604977957 /nfs/dbraw/zinc/97/79/57/604977957.db2.gz 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/nfs/dbraw/zinc/18/76/19/605187619.db2.gz HAYQODXRWPZUNV-MRVPVSSYSA-N -1 1 286.269 1.368 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(F)=C1CCCC1 ZINC000833624377 605205329 /nfs/dbraw/zinc/20/53/29/605205329.db2.gz UQSWUQYYUHXBOA-NSHDSACASA-N -1 1 298.358 1.791 20 0 CDADMM CC(C)(C)OC1CC(N2CC[C@](F)(C(=O)[O-])C2)C1 ZINC000833445962 605318304 /nfs/dbraw/zinc/31/83/04/605318304.db2.gz KNVJMGNJNUVSJC-SRHKJQAYSA-N -1 1 259.321 1.831 20 0 CDADMM CC(C)N(CCC(=O)[O-])CN1CC2(CCCC2)OC1=O ZINC000833496872 605420596 /nfs/dbraw/zinc/42/05/96/605420596.db2.gz KMVHXVKDYJPXFG-UHFFFAOYSA-N -1 1 284.356 1.894 20 0 CDADMM COC(=O)[C@@H]1CCN(C/C=C\Cl)[C@H](C(=O)[O-])C1 ZINC000833710565 605684138 /nfs/dbraw/zinc/68/41/38/605684138.db2.gz WTBNNJROKFBLLN-SJLHTBIVSA-N -1 1 261.705 1.077 20 0 CDADMM C[C@H](O)[C@@H]1CCN(CC(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000833525385 605698264 /nfs/dbraw/zinc/69/82/64/605698264.db2.gz CHLZMKQFZCZMDO-WDEREUQCSA-N -1 1 292.335 1.026 20 0 CDADMM C[C@H]1C[C@H](O)CN1Cc1cc(C(=O)[O-])ccc1Cl ZINC000833599006 605844391 /nfs/dbraw/zinc/84/43/91/605844391.db2.gz UUSGCJJGVPNUPB-KWQFWETISA-N -1 1 269.728 1.993 20 0 CDADMM CN(Cc1nccs1)c1cccc(-c2nnn[n-]2)n1 ZINC000821617934 606043977 /nfs/dbraw/zinc/04/39/77/606043977.db2.gz IWNQRAWZCJSUHM-UHFFFAOYSA-N -1 1 273.325 1.355 20 0 CDADMM CN(Cc1nccs1)c1cccc(-c2nn[n-]n2)n1 ZINC000821617934 606043980 /nfs/dbraw/zinc/04/39/80/606043980.db2.gz IWNQRAWZCJSUHM-UHFFFAOYSA-N -1 1 273.325 1.355 20 0 CDADMM C[C@@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)C[C@H]1C ZINC000820766217 606418016 /nfs/dbraw/zinc/41/80/16/606418016.db2.gz ANJZXLKVSXVNNR-NXEZZACHSA-N -1 1 295.350 1.902 20 0 CDADMM C[C@@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)C[C@H]1C ZINC000820766217 606418017 /nfs/dbraw/zinc/41/80/17/606418017.db2.gz ANJZXLKVSXVNNR-NXEZZACHSA-N -1 1 295.350 1.902 20 0 CDADMM OC1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CCCC1 ZINC000823697898 606460107 /nfs/dbraw/zinc/46/01/07/606460107.db2.gz OPYZIUVODVTYDV-UHFFFAOYSA-N -1 1 294.746 1.632 20 0 CDADMM OC1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CCCC1 ZINC000823697898 606460108 /nfs/dbraw/zinc/46/01/08/606460108.db2.gz OPYZIUVODVTYDV-UHFFFAOYSA-N -1 1 294.746 1.632 20 0 CDADMM CN(C[C@H]1CCOC1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821597650 606474469 /nfs/dbraw/zinc/47/44/69/606474469.db2.gz BTSVMAJZPGNFQT-MRVPVSSYSA-N -1 1 294.746 1.388 20 0 CDADMM CN(C[C@H]1CCOC1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821597650 606474471 /nfs/dbraw/zinc/47/44/71/606474471.db2.gz BTSVMAJZPGNFQT-MRVPVSSYSA-N -1 1 294.746 1.388 20 0 CDADMM COC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821679877 606498180 /nfs/dbraw/zinc/49/81/80/606498180.db2.gz PQPAIHHQEJBREZ-UHFFFAOYSA-N -1 1 293.352 1.179 20 0 CDADMM COC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821679877 606498182 /nfs/dbraw/zinc/49/81/82/606498182.db2.gz PQPAIHHQEJBREZ-UHFFFAOYSA-N -1 1 293.352 1.179 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1C2CCC1CC2 ZINC000823483297 606502620 /nfs/dbraw/zinc/50/26/20/606502620.db2.gz GLWQDSJEMQMKCH-UHFFFAOYSA-N -1 1 275.337 1.695 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1C2CCC1CC2 ZINC000823483297 606502622 /nfs/dbraw/zinc/50/26/22/606502622.db2.gz GLWQDSJEMQMKCH-UHFFFAOYSA-N -1 1 275.337 1.695 20 0 CDADMM CCC[C@@](C)(O)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821007955 606579107 /nfs/dbraw/zinc/57/91/07/606579107.db2.gz FEPOOFLENASPKM-GFCCVEGCSA-N -1 1 295.368 1.209 20 0 CDADMM CCC[C@@](C)(O)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821007955 606579108 /nfs/dbraw/zinc/57/91/08/606579108.db2.gz FEPOOFLENASPKM-GFCCVEGCSA-N -1 1 295.368 1.209 20 0 CDADMM CC(C)[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000820044914 606725666 /nfs/dbraw/zinc/72/56/66/606725666.db2.gz IVOJLLXQDMUFLK-SNVBAGLBSA-N -1 1 258.329 1.744 20 0 CDADMM CC(C)[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000820044914 606725668 /nfs/dbraw/zinc/72/56/68/606725668.db2.gz IVOJLLXQDMUFLK-SNVBAGLBSA-N -1 1 258.329 1.744 20 0 CDADMM Cc1c(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cnn1C ZINC000822130562 606809232 /nfs/dbraw/zinc/80/92/32/606809232.db2.gz VYWUYLBDDKLDMT-UHFFFAOYSA-N -1 1 290.718 1.701 20 0 CDADMM Cc1c(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cnn1C ZINC000822130562 606809233 /nfs/dbraw/zinc/80/92/33/606809233.db2.gz VYWUYLBDDKLDMT-UHFFFAOYSA-N -1 1 290.718 1.701 20 0 CDADMM C[C@]1(CNc2nccnc2-c2nnn[n-]2)CCCS1 ZINC000820623156 606946169 /nfs/dbraw/zinc/94/61/69/606946169.db2.gz GTXWWSDEUIKCFU-LLVKDONJSA-N -1 1 277.357 1.354 20 0 CDADMM C[C@]1(CNc2nccnc2-c2nn[n-]n2)CCCS1 ZINC000820623156 606946170 /nfs/dbraw/zinc/94/61/70/606946170.db2.gz GTXWWSDEUIKCFU-LLVKDONJSA-N -1 1 277.357 1.354 20 0 CDADMM CCC(CC)CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000820893527 607042827 /nfs/dbraw/zinc/04/28/27/607042827.db2.gz PYXFFUKGXVVAGY-UHFFFAOYSA-N -1 1 263.305 1.112 20 0 CDADMM C[C@@H](OCC1CC1)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820518303 607102840 /nfs/dbraw/zinc/10/28/40/607102840.db2.gz AOQSCCJXOWVNEA-ZCFIWIBFSA-N -1 1 294.340 1.077 20 0 CDADMM C[C@@H](OCC1CC1)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820518303 607102842 /nfs/dbraw/zinc/10/28/42/607102842.db2.gz AOQSCCJXOWVNEA-ZCFIWIBFSA-N -1 1 294.340 1.077 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1=CCCCO1 ZINC000823289128 607158984 /nfs/dbraw/zinc/15/89/84/607158984.db2.gz CARWLMOSEBDECW-UHFFFAOYSA-N -1 1 287.279 1.205 20 0 CDADMM CCOC(=O)CCCOc1cccc(F)c1-c1nn[n-]n1 ZINC000825512117 607863256 /nfs/dbraw/zinc/86/32/56/607863256.db2.gz UNMZIZNXTVPZCR-UHFFFAOYSA-N -1 1 294.286 1.728 20 0 CDADMM CCOC(=O)CCCOc1cccc(F)c1-c1nnn[n-]1 ZINC000825512117 607863255 /nfs/dbraw/zinc/86/32/55/607863255.db2.gz UNMZIZNXTVPZCR-UHFFFAOYSA-N -1 1 294.286 1.728 20 0 CDADMM C[C@H](CNc1cccc(-c2nnn[n-]2)n1)Cn1cccn1 ZINC000824432883 607896476 /nfs/dbraw/zinc/89/64/76/607896476.db2.gz AWWJESMNGBHNGV-SNVBAGLBSA-N -1 1 284.327 1.206 20 0 CDADMM C[C@H](CNc1cccc(-c2nn[n-]n2)n1)Cn1cccn1 ZINC000824432883 607896477 /nfs/dbraw/zinc/89/64/77/607896477.db2.gz AWWJESMNGBHNGV-SNVBAGLBSA-N -1 1 284.327 1.206 20 0 CDADMM c1ccc(OCCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826522643 607987999 /nfs/dbraw/zinc/98/79/99/607987999.db2.gz IUROCSNLNUYTON-UHFFFAOYSA-N -1 1 283.295 1.148 20 0 CDADMM c1ccc(OCCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826522643 607988000 /nfs/dbraw/zinc/98/80/00/607988000.db2.gz IUROCSNLNUYTON-UHFFFAOYSA-N -1 1 283.295 1.148 20 0 CDADMM C[C@H]1CSC(SCc2ccnc(-c3nnn[n-]3)c2)=N1 ZINC000825012424 608265648 /nfs/dbraw/zinc/26/56/48/608265648.db2.gz IRMSBZFOESIILA-ZETCQYMHSA-N -1 1 292.393 1.986 20 0 CDADMM C[C@H]1CSC(SCc2ccnc(-c3nn[n-]n3)c2)=N1 ZINC000825012424 608265650 /nfs/dbraw/zinc/26/56/50/608265650.db2.gz IRMSBZFOESIILA-ZETCQYMHSA-N -1 1 292.393 1.986 20 0 CDADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000824897436 608444617 /nfs/dbraw/zinc/44/46/17/608444617.db2.gz AGKSPEUBINWQNO-AYMMMOKOSA-N -1 1 275.316 1.025 20 0 CDADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000824897436 608444619 /nfs/dbraw/zinc/44/46/19/608444619.db2.gz AGKSPEUBINWQNO-AYMMMOKOSA-N -1 1 275.316 1.025 20 0 CDADMM CC1(C)CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000824802002 608554272 /nfs/dbraw/zinc/55/42/72/608554272.db2.gz 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SUXFJWWQIMAHHD-QPUJVOFHSA-N -1 1 298.314 1.574 20 0 CDADMM CCSCn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001604483732 1163200993 /nfs/dbraw/zinc/20/09/93/1163200993.db2.gz ZZKHAVNOYLNZPT-UHFFFAOYSA-N -1 1 287.348 1.892 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H](C)CC[C@@H]2C)n1 ZINC001604543965 1163226136 /nfs/dbraw/zinc/22/61/36/1163226136.db2.gz OCUSXPHZKURFBD-ZJUUUORDSA-N -1 1 287.371 1.844 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H](C)CC[C@@H]2C)n1 ZINC001604543965 1163226143 /nfs/dbraw/zinc/22/61/43/1163226143.db2.gz OCUSXPHZKURFBD-ZJUUUORDSA-N -1 1 287.371 1.844 20 0 CDADMM CCc1nc(NCc2ccns2)cc(-c2nnn[n-]2)n1 ZINC001604569796 1163233489 /nfs/dbraw/zinc/23/34/89/1163233489.db2.gz QEIYANWGGKQSNK-UHFFFAOYSA-N -1 1 288.340 1.288 20 0 CDADMM CCc1nc(NCc2ccns2)cc(-c2nn[n-]n2)n1 ZINC001604569796 1163233496 /nfs/dbraw/zinc/23/34/96/1163233496.db2.gz QEIYANWGGKQSNK-UHFFFAOYSA-N -1 1 288.340 1.288 20 0 CDADMM CN(CC1CC1)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001604728453 1163298874 /nfs/dbraw/zinc/29/88/74/1163298874.db2.gz QHWWCBYKNYQCQI-UHFFFAOYSA-N -1 1 270.749 1.823 20 0 CDADMM C[C@@H]1CCN(CC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)C1 ZINC001604753405 1163312885 /nfs/dbraw/zinc/31/28/85/1163312885.db2.gz WXSKMBBHQGDTSM-LALPHHSUSA-N -1 1 282.384 1.478 20 0 CDADMM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2c1cccc(-c2nnn[n-]2)n1 ZINC001605021466 1163419514 /nfs/dbraw/zinc/41/95/14/1163419514.db2.gz REBDVGHNUFZMTD-UHEDFLHXSA-N -1 1 298.350 1.121 20 0 CDADMM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2c1cccc(-c2nn[n-]n2)n1 ZINC001605021466 1163419516 /nfs/dbraw/zinc/41/95/16/1163419516.db2.gz REBDVGHNUFZMTD-UHEDFLHXSA-N -1 1 298.350 1.121 20 0 CDADMM CC[C@H](C)[C@H](NC(=O)CN1CCC(CC)CC1)C(=O)[O-] ZINC001605171043 1163476066 /nfs/dbraw/zinc/47/60/66/1163476066.db2.gz GPFWRCPNXNBVCO-FZMZJTMJSA-N -1 1 284.400 1.724 20 0 CDADMM COc1cc(C)ccc1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001605202991 1163485455 /nfs/dbraw/zinc/48/54/55/1163485455.db2.gz NTERUBLHLXTORJ-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1cc(C)ccc1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001605202991 1163485460 /nfs/dbraw/zinc/48/54/60/1163485460.db2.gz NTERUBLHLXTORJ-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM CCCCC[C@@H](NC(=O)CCN1CC[C@H](F)C1)C(=O)[O-] ZINC001605258680 1163505855 /nfs/dbraw/zinc/50/58/55/1163505855.db2.gz RLMNODXYWWUSRU-NWDGAFQWSA-N -1 1 288.363 1.570 20 0 CDADMM C[C@@H](O)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001605406313 1163551939 /nfs/dbraw/zinc/55/19/39/1163551939.db2.gz MOCCQZNZTILESG-SCSAIBSYSA-N -1 1 274.737 1.159 20 0 CDADMM C[C@]12CN(c3ccnc(-c4nnn[n-]4)c3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001605451334 1163569483 /nfs/dbraw/zinc/56/94/83/1163569483.db2.gz RMDHBPQOXMDDCR-NGOBNIPXSA-N -1 1 294.362 1.910 20 0 CDADMM C[C@]12CN(c3ccnc(-c4nn[n-]n4)c3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001605451334 1163569488 /nfs/dbraw/zinc/56/94/88/1163569488.db2.gz RMDHBPQOXMDDCR-NGOBNIPXSA-N -1 1 294.362 1.910 20 0 CDADMM CC[N@@H+](Cc1cncc(C(=O)[O-])c1)[C@@H](C)C(=O)[O-] ZINC001605461878 1163571905 /nfs/dbraw/zinc/57/19/05/1163571905.db2.gz OTTSWGXUELVFLB-QMMMGPOBSA-N -1 1 252.270 1.075 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C)[C@](C)(CO)C2)c1 ZINC001605558291 1163610059 /nfs/dbraw/zinc/61/00/59/1163610059.db2.gz RTGUNBLSAWZRGX-HZMBPMFUSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](C)[C@](C)(CO)C2)c1 ZINC001605558291 1163610061 /nfs/dbraw/zinc/61/00/61/1163610061.db2.gz RTGUNBLSAWZRGX-HZMBPMFUSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@]23C[C@H]2CCCC3)n1 ZINC001605574413 1163614662 /nfs/dbraw/zinc/61/46/62/1163614662.db2.gz UCYFBAIMFGEDHH-YGRLFVJLSA-N -1 1 285.355 1.957 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@]23C[C@H]2CCCC3)n1 ZINC001605574413 1163614665 /nfs/dbraw/zinc/61/46/65/1163614665.db2.gz UCYFBAIMFGEDHH-YGRLFVJLSA-N -1 1 285.355 1.957 20 0 CDADMM Cc1cc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)co1 ZINC001605620247 1163626619 /nfs/dbraw/zinc/62/66/19/1163626619.db2.gz QLEBZPOQVMKBIC-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1cc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)co1 ZINC001605620247 1163626623 /nfs/dbraw/zinc/62/66/23/1163626623.db2.gz QLEBZPOQVMKBIC-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1cc(NC[C@H]2CC[C@@H](C)O2)nc(-c2nnn[n-]2)c1 ZINC001605730308 1163654301 /nfs/dbraw/zinc/65/43/01/1163654301.db2.gz JGGNJVGULOJCAM-NXEZZACHSA-N -1 1 274.328 1.550 20 0 CDADMM Cc1cc(NC[C@H]2CC[C@@H](C)O2)nc(-c2nn[n-]n2)c1 ZINC001605730308 1163654306 /nfs/dbraw/zinc/65/43/06/1163654306.db2.gz JGGNJVGULOJCAM-NXEZZACHSA-N -1 1 274.328 1.550 20 0 CDADMM CCc1ccc(CN2CCC[C@@H]2C(=O)NCC(=O)[O-])cc1 ZINC001605812343 1163678942 /nfs/dbraw/zinc/67/89/42/1163678942.db2.gz CBHYCOTZVBEROG-CQSZACIVSA-N -1 1 290.363 1.414 20 0 CDADMM CCc1nc([C@H](C)N2CCSC[C@@H](C(=O)[O-])C2)n[nH]1 ZINC001605842454 1163682620 /nfs/dbraw/zinc/68/26/20/1163682620.db2.gz MAVRNZSBJPZGMM-IUCAKERBSA-N -1 1 284.385 1.178 20 0 CDADMM Cc1ccc(N2CCO[C@@H](C)CC2)nc1-c1nnn[n-]1 ZINC001605867534 1163698112 /nfs/dbraw/zinc/69/81/12/1163698112.db2.gz OZQMYOHEONGZCO-JTQLQIEISA-N -1 1 274.328 1.185 20 0 CDADMM Cc1ccc(NCCN(C)CC(F)F)c(-c2nnn[n-]2)n1 ZINC001605874086 1163702374 /nfs/dbraw/zinc/70/23/74/1163702374.db2.gz HYWJMYBGUZVZAE-UHFFFAOYSA-N -1 1 297.313 1.179 20 0 CDADMM Cc1ccc(NCCN(C)CC(F)F)c(-c2nn[n-]n2)n1 ZINC001605874086 1163702380 /nfs/dbraw/zinc/70/23/80/1163702380.db2.gz HYWJMYBGUZVZAE-UHFFFAOYSA-N -1 1 297.313 1.179 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(CCO[C@@H]2CCCCO2)c1C ZINC001606021515 1163747679 /nfs/dbraw/zinc/74/76/79/1163747679.db2.gz VRHSDFYSQAGKFN-LLVKDONJSA-N -1 1 292.343 1.223 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(CCO[C@@H]2CCCCO2)c1C ZINC001606021515 1163747684 /nfs/dbraw/zinc/74/76/84/1163747684.db2.gz VRHSDFYSQAGKFN-LLVKDONJSA-N -1 1 292.343 1.223 20 0 CDADMM Cc1nc(-c2nn[n-]n2)sc1-c1cnn(C)c1C ZINC001606024201 1163750567 /nfs/dbraw/zinc/75/05/67/1163750567.db2.gz WFJPEIMPONEIMA-UHFFFAOYSA-N -1 1 261.314 1.341 20 0 CDADMM CN(CC(=O)[O-])C(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC001606087135 1163768812 /nfs/dbraw/zinc/76/88/12/1163768812.db2.gz CGAVLMYOADZXML-UHFFFAOYSA-N -1 1 299.739 1.948 20 0 CDADMM COC(=O)[C@@H](CCC(=O)[O-])N1CCC(C)=C(C)C1 ZINC001606330464 1163861914 /nfs/dbraw/zinc/86/19/14/1163861914.db2.gz JLNAZVNCPUECQY-LLVKDONJSA-N -1 1 255.314 1.435 20 0 CDADMM COC(=O)[C@H]1CN(Cc2cc(F)cc(F)c2)C[C@H]1C(=O)[O-] ZINC001606432130 1163895527 /nfs/dbraw/zinc/89/55/27/1163895527.db2.gz YIDLKOCPWDFZJL-NEPJUHHUSA-N -1 1 299.273 1.270 20 0 CDADMM COC(=O)[C@H]1[C@@H]2CN([C@H](C)c3ccc(C(=O)[O-])o3)C[C@@H]21 ZINC001606514621 1163921688 /nfs/dbraw/zinc/92/16/88/1163921688.db2.gz PQYMTSUYRHJZMV-XBWDGYHZSA-N -1 1 279.292 1.390 20 0 CDADMM O=C(NC[C@H]1CCCSC1)c1coc(-c2nnn[n-]2)c1 ZINC001606735786 1163977540 /nfs/dbraw/zinc/97/75/40/1163977540.db2.gz YGVASWQNFVPCHQ-MRVPVSSYSA-N -1 1 293.352 1.333 20 0 CDADMM O=C(NC[C@H]1CCCSC1)c1coc(-c2nn[n-]n2)c1 ZINC001606735786 1163977543 /nfs/dbraw/zinc/97/75/43/1163977543.db2.gz YGVASWQNFVPCHQ-MRVPVSSYSA-N -1 1 293.352 1.333 20 0 CDADMM O=C(NC[C@@H]1C[C@H]1C1CCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001606803775 1163997930 /nfs/dbraw/zinc/99/79/30/1163997930.db2.gz NMJZNIIVMZNIBH-UWVGGRQHSA-N -1 1 287.323 1.626 20 0 CDADMM O=C(NC[C@@H]1C[C@H]1C1CCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001606803775 1163997934 /nfs/dbraw/zinc/99/79/34/1163997934.db2.gz NMJZNIIVMZNIBH-UWVGGRQHSA-N -1 1 287.323 1.626 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1csc(Cl)c1 ZINC001606893570 1164025742 /nfs/dbraw/zinc/02/57/42/1164025742.db2.gz VKCHTSSJESPMRP-UHFFFAOYSA-N -1 1 295.715 1.557 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1csc(Cl)c1 ZINC001606893570 1164025748 /nfs/dbraw/zinc/02/57/48/1164025748.db2.gz VKCHTSSJESPMRP-UHFFFAOYSA-N -1 1 295.715 1.557 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1ccoc1C1CC1 ZINC001606934561 1164032869 /nfs/dbraw/zinc/03/28/69/1164032869.db2.gz GHLGZAHYWVUOED-UHFFFAOYSA-N -1 1 296.290 1.984 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1ccoc1C1CC1 ZINC001606934561 1164032876 /nfs/dbraw/zinc/03/28/76/1164032876.db2.gz GHLGZAHYWVUOED-UHFFFAOYSA-N -1 1 296.290 1.984 20 0 CDADMM COCc1ccc(CN[C@H](CC2CCOCC2)C(=O)[O-])o1 ZINC001606956875 1164038451 /nfs/dbraw/zinc/03/84/51/1164038451.db2.gz RFKNXVAZRQTERL-CQSZACIVSA-N -1 1 297.351 1.786 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC001607033073 1164065014 /nfs/dbraw/zinc/06/50/14/1164065014.db2.gz PIFJJBFCDJITHB-ONGXEEELSA-N -1 1 287.323 1.864 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC001607033073 1164065023 /nfs/dbraw/zinc/06/50/23/1164065023.db2.gz PIFJJBFCDJITHB-ONGXEEELSA-N -1 1 287.323 1.864 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1CCSc1ccccc1 ZINC001607089981 1164074831 /nfs/dbraw/zinc/07/48/31/1164074831.db2.gz FUTUZCAKPHFMOO-UHFFFAOYSA-N -1 1 299.359 1.821 20 0 CDADMM Oc1cccc(Sc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001607111862 1164089017 /nfs/dbraw/zinc/08/90/17/1164089017.db2.gz MIAOWWRFLMKJBS-UHFFFAOYSA-N -1 1 272.293 1.514 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@@H]2C[C@H]2C2CCC2)n1 ZINC001607133515 1164112604 /nfs/dbraw/zinc/11/26/04/1164112604.db2.gz JBKZVVAROTVVMW-UWVGGRQHSA-N -1 1 271.328 1.505 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@@H]2C[C@H]2C2CCC2)n1 ZINC001607133515 1164112608 /nfs/dbraw/zinc/11/26/08/1164112608.db2.gz JBKZVVAROTVVMW-UWVGGRQHSA-N -1 1 271.328 1.505 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@@H]2CCCOCC2)c1 ZINC001607133324 1164113333 /nfs/dbraw/zinc/11/33/33/1164113333.db2.gz CJNHMSKPGRRVLM-SECBINFHSA-N -1 1 260.301 1.243 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@@H]2CCCOCC2)c1 ZINC001607133324 1164113336 /nfs/dbraw/zinc/11/33/36/1164113336.db2.gz CJNHMSKPGRRVLM-SECBINFHSA-N -1 1 260.301 1.243 20 0 CDADMM c1nc(NC[C@@H]2CC3CCC2CC3)cc(-c2nnn[n-]2)n1 ZINC001607136917 1164116715 /nfs/dbraw/zinc/11/67/15/1164116715.db2.gz DYICOLSQUVGHCY-ILDUYXDCSA-N -1 1 285.355 1.895 20 0 CDADMM c1nc(NC[C@@H]2CC3CCC2CC3)cc(-c2nn[n-]n2)n1 ZINC001607136917 1164116720 /nfs/dbraw/zinc/11/67/20/1164116720.db2.gz DYICOLSQUVGHCY-ILDUYXDCSA-N -1 1 285.355 1.895 20 0 CDADMM c1ncc(N(CC2CC2)CC2CCC2)nc1-c1nnn[n-]1 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Cc1nnc(SCC(=O)c2cccc(C(=O)[O-])c2)[nH]1 ZINC001608017300 1164377245 /nfs/dbraw/zinc/37/72/45/1164377245.db2.gz RHKPAAJTFXKILM-UHFFFAOYSA-N -1 1 277.305 1.786 20 0 CDADMM Cc1n[nH]c(SCC(=O)c2cccc(C(=O)[O-])c2)n1 ZINC001608017300 1164377252 /nfs/dbraw/zinc/37/72/52/1164377252.db2.gz RHKPAAJTFXKILM-UHFFFAOYSA-N -1 1 277.305 1.786 20 0 CDADMM Cc1oc(C(=O)[O-])cc1C(=O)NCc1ccc2cncn2c1 ZINC001608036205 1164389957 /nfs/dbraw/zinc/38/99/57/1164389957.db2.gz LIRKBAAKUZRDNZ-UHFFFAOYSA-N -1 1 299.286 1.864 20 0 CDADMM Cn1nc2c(c1CN1CCSC[C@@H]1CC(=O)[O-])CCC2 ZINC001608151204 1164425954 /nfs/dbraw/zinc/42/59/54/1164425954.db2.gz DNCDGJNXVUZKKS-JTQLQIEISA-N -1 1 295.408 1.301 20 0 CDADMM Nc1cc(N)nc(S[C@H](C(=O)[O-])c2ccsc2)n1 ZINC001608271763 1164475552 /nfs/dbraw/zinc/47/55/52/1164475552.db2.gz HFRJBXACYDMLGF-QMMMGPOBSA-N -1 1 282.350 1.621 20 0 CDADMM O=C([O-])[C@H](CC1CCCCC1)NC(=O)CCc1nc[nH]n1 ZINC001608322220 1164491525 /nfs/dbraw/zinc/49/15/25/1164491525.db2.gz NHCCXGWDHOJWFY-NSHDSACASA-N -1 1 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C[C@@H]1CCN(c2ncncc2-c2nn[n-]n2)C[C@@H]1C ZINC001609169439 1164813238 /nfs/dbraw/zinc/81/32/38/1164813238.db2.gz ZARDIOKYSRAMSV-BDAKNGLRSA-N -1 1 259.317 1.139 20 0 CDADMM CCC(C)(C)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609182536 1164824341 /nfs/dbraw/zinc/82/43/41/1164824341.db2.gz JTLUUNYCKOZJQY-UHFFFAOYSA-N -1 1 260.301 1.636 20 0 CDADMM CCC(C)(C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609182536 1164824346 /nfs/dbraw/zinc/82/43/46/1164824346.db2.gz JTLUUNYCKOZJQY-UHFFFAOYSA-N -1 1 260.301 1.636 20 0 CDADMM COC1([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001609310176 1164891182 /nfs/dbraw/zinc/89/11/82/1164891182.db2.gz FZMLGLWQVXFWAF-MRVPVSSYSA-N -1 1 275.316 1.026 20 0 CDADMM COC1([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001609310176 1164891194 /nfs/dbraw/zinc/89/11/94/1164891194.db2.gz FZMLGLWQVXFWAF-MRVPVSSYSA-N -1 1 275.316 1.026 20 0 CDADMM CO[C@@]1(C)CCCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001609312739 1164891301 /nfs/dbraw/zinc/89/13/01/1164891301.db2.gz PADAKLHNPXAVTK-AWEZNQCLSA-N -1 1 288.355 1.657 20 0 CDADMM CO[C@@]1(C)CCCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001609312739 1164891308 /nfs/dbraw/zinc/89/13/08/1164891308.db2.gz PADAKLHNPXAVTK-AWEZNQCLSA-N -1 1 288.355 1.657 20 0 CDADMM COc1ccccc1CN(C)c1ncncc1-c1nn[n-]n1 ZINC001609363925 1164911095 /nfs/dbraw/zinc/91/10/95/1164911095.db2.gz GXWQYHFZPXXOTL-UHFFFAOYSA-N -1 1 297.322 1.302 20 0 CDADMM CS[C@@H](C)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609369390 1164911487 /nfs/dbraw/zinc/91/14/87/1164911487.db2.gz YUJHTDRHWANENJ-BQBZGAKWSA-N -1 1 282.325 1.757 20 0 CDADMM Cc1ncc(CNc2nc(C)cc(-c3nnn[n-]3)n2)s1 ZINC001609392586 1164925914 /nfs/dbraw/zinc/92/59/14/1164925914.db2.gz WIIDJFUOVZCCHO-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Cc1ncc(CNc2nc(C)cc(-c3nn[n-]n3)n2)s1 ZINC001609392586 1164925918 /nfs/dbraw/zinc/92/59/18/1164925918.db2.gz WIIDJFUOVZCCHO-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Cc1ccc(N[C@H](CCO)C2CC2)nc1-c1nnn[n-]1 ZINC001609426261 1164942848 /nfs/dbraw/zinc/94/28/48/1164942848.db2.gz 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1166604842 /nfs/dbraw/zinc/60/48/42/1166604842.db2.gz KWPVSROKCHNBDM-UHFFFAOYSA-N -1 1 277.291 1.660 20 0 CDADMM Cc1ccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1O ZINC000095342058 1166624024 /nfs/dbraw/zinc/62/40/24/1166624024.db2.gz ZHRQNTJZBGQBEN-VIFPVBQESA-N -1 1 275.312 1.089 20 0 CDADMM O=C(c1ccc(F)c([O-])c1)N1CCc2[nH]cnc2C1 ZINC001636993405 1166713415 /nfs/dbraw/zinc/71/34/15/1166713415.db2.gz AVQHQKFZWISXQL-UHFFFAOYSA-N -1 1 261.256 1.453 20 0 CDADMM O=C(NC1Cc2ccccc2C1)c1ccc([O-])cn1 ZINC001638129240 1166822594 /nfs/dbraw/zinc/82/25/94/1166822594.db2.gz UJPAEBVTJHVBOX-UHFFFAOYSA-N -1 1 254.289 1.684 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cccc(Nc2cnccn2)c1 ZINC001638735363 1166867636 /nfs/dbraw/zinc/86/76/36/1166867636.db2.gz FGBPKBKYPLSADL-UHFFFAOYSA-N -1 1 296.290 1.901 20 0 CDADMM CCC(CC)(NC(=O)C1CC2(CC2)C1)c1nn[n-]n1 ZINC001640155895 1167000584 /nfs/dbraw/zinc/00/05/84/1167000584.db2.gz OKXLGNSCRKSUOT-UHFFFAOYSA-N -1 1 263.345 1.521 20 0 CDADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cnc2cccnn21 ZINC001641132746 1167078346 /nfs/dbraw/zinc/07/83/46/1167078346.db2.gz AJQDRHHYYJWYKV-UHFFFAOYSA-N -1 1 297.200 1.119 20 0 CDADMM C[C@@H]1CCc2n[nH]c(C(=O)[N-]S(=O)(=O)C(C)(C)C)c2C1 ZINC001646204458 1167693569 /nfs/dbraw/zinc/69/35/69/1167693569.db2.gz WYFBVYUNJZNMKT-MRVPVSSYSA-N -1 1 299.396 1.393 20 0 CDADMM CC(C)[C@@H](C(=O)OCC(=O)c1ccc([O-])cc1O)N(C)C ZINC001647183649 1168430419 /nfs/dbraw/zinc/43/04/19/1168430419.db2.gz MFBLQELXGNZXNM-AWEZNQCLSA-N -1 1 295.335 1.410 20 0 CDADMM C[C@@H](c1ccncc1)N1CCC(C(=O)[O-])([S@](C)=O)CC1 ZINC001573589636 1170700100 /nfs/dbraw/zinc/70/01/00/1170700100.db2.gz GPIRWWCOOJFBFQ-YBTHPKLGSA-N -1 1 296.392 1.440 20 0 CDADMM Cn1c(CNC(=O)CCNc2ccccc2)n[n-]c1=S ZINC000067050104 1171430142 /nfs/dbraw/zinc/43/01/42/1171430142.db2.gz QPIBSSIGPMGGJS-UHFFFAOYSA-N -1 1 291.380 1.596 20 0 CDADMM Cc1coc(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)c1C ZINC001581360104 1172605865 /nfs/dbraw/zinc/60/58/65/1172605865.db2.gz ZQLTUISCOFFYAI-UHFFFAOYSA-N -1 1 298.306 1.748 20 0 CDADMM Cc1coc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)c1C ZINC001581360104 1172605874 /nfs/dbraw/zinc/60/58/74/1172605874.db2.gz ZQLTUISCOFFYAI-UHFFFAOYSA-N -1 1 298.306 1.748 20 0 CDADMM Fc1cccc(Sc2cnccn2)c1-c1nn[n-]n1 ZINC001581855136 1172623869 /nfs/dbraw/zinc/62/38/69/1172623869.db2.gz NKIQRIYKXVCKPV-UHFFFAOYSA-N -1 1 274.284 1.947 20 0 CDADMM Fc1cncc(Oc2ccncc2-c2nn[n-]n2)c1 ZINC001581855579 1172624841 /nfs/dbraw/zinc/62/48/41/1172624841.db2.gz GGWDUBZFGDAQGN-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM O=c1ccn(-c2ccc(NCc3cc[nH]n3)cc2)[n-]1 ZINC001663006651 1172627352 /nfs/dbraw/zinc/62/73/52/1172627352.db2.gz JBDWNQZDVDVMFF-UHFFFAOYSA-N -1 1 255.281 1.913 20 0 CDADMM c1cn2ncc(-c3nn[n-]n3)c2n1CC1=CCCC1 ZINC001588384277 1173056032 /nfs/dbraw/zinc/05/60/32/1173056032.db2.gz BYFFJPRDMSVGTL-UHFFFAOYSA-N -1 1 255.285 1.426 20 0 CDADMM CC(=O)c1cccc(CNc2ncncc2-c2nn[n-]n2)c1 ZINC001588920470 1173113511 /nfs/dbraw/zinc/11/35/11/1173113511.db2.gz NGGHHUCVGPCOLX-UHFFFAOYSA-N -1 1 295.306 1.471 20 0 CDADMM CC(C)(CO)CCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001589294120 1173134387 /nfs/dbraw/zinc/13/43/87/1173134387.db2.gz ROKBRWLRHMIMJA-UHFFFAOYSA-N -1 1 296.762 1.736 20 0 CDADMM CC(C)(CO)CCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001589294120 1173134389 /nfs/dbraw/zinc/13/43/89/1173134389.db2.gz ROKBRWLRHMIMJA-UHFFFAOYSA-N -1 1 296.762 1.736 20 0 CDADMM CC(C)C(=O)Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001589394128 1173140781 /nfs/dbraw/zinc/14/07/81/1173140781.db2.gz QOQGJICVLSVHPO-UHFFFAOYSA-N -1 1 297.318 1.407 20 0 CDADMM CC(C)[C@H]1C[C@@H]1C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001589501016 1173151361 /nfs/dbraw/zinc/15/13/61/1173151361.db2.gz AJZAGJHPTUZMOM-MNOVXSKESA-N -1 1 287.323 1.597 20 0 CDADMM CC(C)[C@H]1C[C@@H]1C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001589501016 1173151365 /nfs/dbraw/zinc/15/13/65/1173151365.db2.gz AJZAGJHPTUZMOM-MNOVXSKESA-N -1 1 287.323 1.597 20 0 CDADMM CC(C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001589507936 1173152552 /nfs/dbraw/zinc/15/25/52/1173152552.db2.gz TZJMZKQGOKRHDB-JTQLQIEISA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001589507936 1173152556 /nfs/dbraw/zinc/15/25/56/1173152556.db2.gz TZJMZKQGOKRHDB-JTQLQIEISA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)CC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001589571683 1173161313 /nfs/dbraw/zinc/16/13/13/1173161313.db2.gz LGUWBCIGERZDCT-UHFFFAOYSA-N -1 1 273.344 1.317 20 0 CDADMM CC(C)[N@@H+](CC1CC1)Cn1cccc(-c2nnn[n-]2)c1=O ZINC001589679265 1173169058 /nfs/dbraw/zinc/16/90/58/1173169058.db2.gz KQKKAQJMBLGHAF-UHFFFAOYSA-N -1 1 288.355 1.106 20 0 CDADMM CC(C)[N@H+](CC1CC1)Cn1cccc(-c2nn[n-]n2)c1=O ZINC001589679265 1173169060 /nfs/dbraw/zinc/16/90/60/1173169060.db2.gz KQKKAQJMBLGHAF-UHFFFAOYSA-N -1 1 288.355 1.106 20 0 CDADMM CC(C)c1nnnn1Cc1ccc(-c2nn[n-]n2)s1 ZINC001589778731 1173178083 /nfs/dbraw/zinc/17/80/83/1173178083.db2.gz SXKMWXWBVRUFKD-UHFFFAOYSA-N -1 1 276.329 1.086 20 0 CDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001589880348 1173192044 /nfs/dbraw/zinc/19/20/44/1173192044.db2.gz XAWFZGNZJDGKCU-SNVBAGLBSA-N -1 1 281.323 1.294 20 0 CDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001589880347 1173192764 /nfs/dbraw/zinc/19/27/64/1173192764.db2.gz XAWFZGNZJDGKCU-JTQLQIEISA-N -1 1 281.323 1.294 20 0 CDADMM C[C@@H](Cc1cccnc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589900675 1173197948 /nfs/dbraw/zinc/19/79/48/1173197948.db2.gz AHCQPTFQTYMYPE-JTQLQIEISA-N -1 1 281.323 1.700 20 0 CDADMM C[C@@H](Cc1cccnc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589900675 1173197955 /nfs/dbraw/zinc/19/79/55/1173197955.db2.gz AHCQPTFQTYMYPE-JTQLQIEISA-N -1 1 281.323 1.700 20 0 CDADMM C[C@H](Cc1ccco1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589902345 1173198748 /nfs/dbraw/zinc/19/87/48/1173198748.db2.gz CYWLBVCLJCALQY-SECBINFHSA-N -1 1 298.306 1.672 20 0 CDADMM C[C@H](Cc1ccco1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589902345 1173198751 /nfs/dbraw/zinc/19/87/51/1173198751.db2.gz CYWLBVCLJCALQY-SECBINFHSA-N -1 1 298.306 1.672 20 0 CDADMM C[C@@H](O)C[C@@H](C)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589998746 1173231445 /nfs/dbraw/zinc/23/14/45/1173231445.db2.gz RSVJATNBZKXPPS-HTQZYQBOSA-N -1 1 289.343 1.105 20 0 CDADMM C[C@@H](O)C[C@@H](C)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589998746 1173231449 /nfs/dbraw/zinc/23/14/49/1173231449.db2.gz RSVJATNBZKXPPS-HTQZYQBOSA-N -1 1 289.343 1.105 20 0 CDADMM CC1(C)CCCC[C@@H]1Cn1cncc(-c2nn[n-]n2)c1=O ZINC001590097531 1173256266 /nfs/dbraw/zinc/25/62/66/1173256266.db2.gz SGLLKFOYNGAIFN-SNVBAGLBSA-N -1 1 288.355 1.640 20 0 CDADMM CC1(C)CC[C@@H](O)[C@H](Nc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001590100435 1173257589 /nfs/dbraw/zinc/25/75/89/1173257589.db2.gz SJSFNFBHOKXFOU-NXEZZACHSA-N -1 1 289.343 1.008 20 0 CDADMM CC1(C)CC[C@@H](O)[C@H](Nc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001590100435 1173257590 /nfs/dbraw/zinc/25/75/90/1173257590.db2.gz SJSFNFBHOKXFOU-NXEZZACHSA-N -1 1 289.343 1.008 20 0 CDADMM C[C@]1(CCNC(=O)c2coc(-c3nnn[n-]3)c2)CC1(F)F ZINC001590126744 1173265781 /nfs/dbraw/zinc/26/57/81/1173265781.db2.gz HXEOBSHYJQTJIE-NSHDSACASA-N -1 1 297.265 1.625 20 0 CDADMM C[C@]1(CCNC(=O)c2coc(-c3nn[n-]n3)c2)CC1(F)F ZINC001590126744 1173265786 /nfs/dbraw/zinc/26/57/86/1173265786.db2.gz HXEOBSHYJQTJIE-NSHDSACASA-N -1 1 297.265 1.625 20 0 CDADMM C[C@@]1(NC(=O)c2ccnc(-c3nnn[n-]3)c2)CC=CCC1 ZINC001590146063 1173272252 /nfs/dbraw/zinc/27/22/52/1173272252.db2.gz HPOFSIPPRQPRFY-CQSZACIVSA-N -1 1 284.323 1.490 20 0 CDADMM C[C@@]1(NC(=O)c2ccnc(-c3nn[n-]n3)c2)CC=CCC1 ZINC001590146063 1173272256 /nfs/dbraw/zinc/27/22/56/1173272256.db2.gz HPOFSIPPRQPRFY-CQSZACIVSA-N -1 1 284.323 1.490 20 0 CDADMM C[C@@]1(c2ccccc2)C[C@@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001590151546 1173273768 /nfs/dbraw/zinc/27/37/68/1173273768.db2.gz GDUYZMLIXAJEMX-WFASDCNBSA-N -1 1 293.334 1.799 20 0 CDADMM C[C@@]1(c2ccccc2)C[C@@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001590151546 1173273772 /nfs/dbraw/zinc/27/37/72/1173273772.db2.gz GDUYZMLIXAJEMX-WFASDCNBSA-N -1 1 293.334 1.799 20 0 CDADMM C[C@H]1CCC[C@H](C)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590243698 1173313535 /nfs/dbraw/zinc/31/35/35/1173313535.db2.gz MTUGSIKMCWGPJK-UWVGGRQHSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@H]1CCC[C@H](C)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590243698 1173313541 /nfs/dbraw/zinc/31/35/41/1173313541.db2.gz MTUGSIKMCWGPJK-UWVGGRQHSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001590245670 1173317861 /nfs/dbraw/zinc/31/78/61/1173317861.db2.gz YKLOSFZWUTUMDJ-RKDXNWHRSA-N -1 1 275.312 1.768 20 0 CDADMM C[C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590245670 1173317868 /nfs/dbraw/zinc/31/78/68/1173317868.db2.gz YKLOSFZWUTUMDJ-RKDXNWHRSA-N -1 1 275.312 1.768 20 0 CDADMM C[C@H]1CCCCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590258286 1173323809 /nfs/dbraw/zinc/32/38/09/1173323809.db2.gz BEHWFTUYHPVUCR-QMMMGPOBSA-N -1 1 261.285 1.474 20 0 CDADMM C[C@H]1CCCCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590258286 1173323816 /nfs/dbraw/zinc/32/38/16/1173323816.db2.gz BEHWFTUYHPVUCR-QMMMGPOBSA-N -1 1 261.285 1.474 20 0 CDADMM C[C@H]1OCCN(C(=O)c2ccsc2-c2nnn[n-]2)[C@H]1C ZINC001590338375 1173365752 /nfs/dbraw/zinc/36/57/52/1173365752.db2.gz RJHVNCDCNIJIAM-JGVFFNPUSA-N -1 1 293.352 1.178 20 0 CDADMM C[C@H]1OCCN(C(=O)c2ccsc2-c2nn[n-]n2)[C@H]1C ZINC001590338375 1173365758 /nfs/dbraw/zinc/36/57/58/1173365758.db2.gz RJHVNCDCNIJIAM-JGVFFNPUSA-N -1 1 293.352 1.178 20 0 CDADMM CC[C@H](COCC1CC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590447918 1173414676 /nfs/dbraw/zinc/41/46/76/1173414676.db2.gz RVCOREHIFREEER-LLVKDONJSA-N -1 1 288.355 1.879 20 0 CDADMM CC[C@H](COCC1CC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590447918 1173414679 /nfs/dbraw/zinc/41/46/79/1173414679.db2.gz RVCOREHIFREEER-LLVKDONJSA-N -1 1 288.355 1.879 20 0 CDADMM CC[C@H](Nc1ccnc(-c2nnn[n-]2)c1)c1c(C)noc1C ZINC001590473026 1173424401 /nfs/dbraw/zinc/42/44/01/1173424401.db2.gz KFSNXWAZGLZNGT-NSHDSACASA-N -1 1 299.338 1.852 20 0 CDADMM CC[C@H](Nc1ccnc(-c2nn[n-]n2)c1)c1c(C)noc1C ZINC001590473026 1173424405 /nfs/dbraw/zinc/42/44/05/1173424405.db2.gz KFSNXWAZGLZNGT-NSHDSACASA-N -1 1 299.338 1.852 20 0 CDADMM CCC(O)(CC)CN(C)c1ccc(C)c(-c2nnn[n-]2)n1 ZINC001590473413 1173425594 /nfs/dbraw/zinc/42/55/94/1173425594.db2.gz JBGXNEMCQPRBLT-UHFFFAOYSA-N -1 1 290.371 1.557 20 0 CDADMM CCC(O)(CC)CN(C)c1ccc(C)c(-c2nn[n-]n2)n1 ZINC001590473413 1173425601 /nfs/dbraw/zinc/42/56/01/1173425601.db2.gz JBGXNEMCQPRBLT-UHFFFAOYSA-N -1 1 290.371 1.557 20 0 CDADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590503590 1173439259 /nfs/dbraw/zinc/43/92/59/1173439259.db2.gz PLPSDUVPQUPMQC-SCZZXKLOSA-N -1 1 275.312 1.720 20 0 CDADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590503590 1173439264 /nfs/dbraw/zinc/43/92/64/1173439264.db2.gz PLPSDUVPQUPMQC-SCZZXKLOSA-N -1 1 275.312 1.720 20 0 CDADMM CC[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590511411 1173443788 /nfs/dbraw/zinc/44/37/88/1173443788.db2.gz KWONXNWMWRCAPR-SECBINFHSA-N -1 1 275.312 1.864 20 0 CDADMM CC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590511411 1173443793 /nfs/dbraw/zinc/44/37/93/1173443793.db2.gz KWONXNWMWRCAPR-SECBINFHSA-N -1 1 275.312 1.864 20 0 CDADMM CC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)[C@H](CC)CO1 ZINC001590521542 1173448307 /nfs/dbraw/zinc/44/83/07/1173448307.db2.gz BHPCMVYAZVNZRV-NXEZZACHSA-N -1 1 289.343 1.051 20 0 CDADMM CC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)[C@H](CC)CO1 ZINC001590521542 1173448312 /nfs/dbraw/zinc/44/83/12/1173448312.db2.gz BHPCMVYAZVNZRV-NXEZZACHSA-N -1 1 289.343 1.051 20 0 CDADMM CC[C@@H]1CN(c2ccc(C)nc2-c2nnn[n-]2)CCCO1 ZINC001590522153 1173449897 /nfs/dbraw/zinc/44/98/97/1173449897.db2.gz PMUQFTNNPQFGQW-LLVKDONJSA-N -1 1 288.355 1.575 20 0 CDADMM CC[C@@H]1CN(c2ccc(C)nc2-c2nn[n-]n2)CCCO1 ZINC001590522153 1173449903 /nfs/dbraw/zinc/44/99/03/1173449903.db2.gz PMUQFTNNPQFGQW-LLVKDONJSA-N -1 1 288.355 1.575 20 0 CDADMM CCC[C@H](OC)c1noc(-c2ccc(-c3nn[n-]n3)o2)n1 ZINC001590560312 1173463078 /nfs/dbraw/zinc/46/30/78/1173463078.db2.gz AUUSFCASWAJFEI-ZETCQYMHSA-N -1 1 290.283 1.997 20 0 CDADMM CCCNC(=O)CSc1cccc(F)c1-c1nn[n-]n1 ZINC001590638006 1173482146 /nfs/dbraw/zinc/48/21/46/1173482146.db2.gz OITOMSHUKIBYSC-UHFFFAOYSA-N -1 1 295.343 1.624 20 0 CDADMM CCCc1ccc(Cn2cc(-c3nn[n-]n3)nn2)cc1 ZINC001590659493 1173484391 /nfs/dbraw/zinc/48/43/91/1173484391.db2.gz JNLBUJPDJDLPOL-UHFFFAOYSA-N -1 1 269.312 1.459 20 0 CDADMM CCN(C)C(=O)CCSCc1ccc(-c2nnn[n-]2)o1 ZINC001590677684 1173486860 /nfs/dbraw/zinc/48/68/60/1173486860.db2.gz TYUVZVKFCHVNHE-UHFFFAOYSA-N -1 1 295.368 1.561 20 0 CDADMM CCN(C)C(=O)CCSCc1ccc(-c2nn[n-]n2)o1 ZINC001590677684 1173486864 /nfs/dbraw/zinc/48/68/64/1173486864.db2.gz TYUVZVKFCHVNHE-UHFFFAOYSA-N -1 1 295.368 1.561 20 0 CDADMM CCN(c1cncc(-c2nnn[n-]2)n1)C1CCCCC1 ZINC001590724666 1173502958 /nfs/dbraw/zinc/50/29/58/1173502958.db2.gz OHFAUOAZEPIRAW-UHFFFAOYSA-N -1 1 273.344 1.816 20 0 CDADMM CCN(c1cncc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001590724666 1173502966 /nfs/dbraw/zinc/50/29/66/1173502966.db2.gz OHFAUOAZEPIRAW-UHFFFAOYSA-N -1 1 273.344 1.816 20 0 CDADMM CCOCCOCCNc1ccc(C)nc1-c1nnn[n-]1 ZINC001590816118 1173518607 /nfs/dbraw/zinc/51/86/07/1173518607.db2.gz ANJCAUIPCYVHEY-UHFFFAOYSA-N -1 1 292.343 1.035 20 0 CDADMM CCOCCOCCNc1ccc(C)nc1-c1nn[n-]n1 ZINC001590816118 1173518609 /nfs/dbraw/zinc/51/86/09/1173518609.db2.gz ANJCAUIPCYVHEY-UHFFFAOYSA-N -1 1 292.343 1.035 20 0 CDADMM CCON(CC)C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590817651 1173521290 /nfs/dbraw/zinc/52/12/90/1173521290.db2.gz BLCNGYUQJFWQBK-UHFFFAOYSA-N -1 1 297.265 1.559 20 0 CDADMM CCON(CC)C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590817651 1173521296 /nfs/dbraw/zinc/52/12/96/1173521296.db2.gz BLCNGYUQJFWQBK-UHFFFAOYSA-N -1 1 297.265 1.559 20 0 CDADMM CCO[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)oc2C)C1 ZINC001590823127 1173523747 /nfs/dbraw/zinc/52/37/47/1173523747.db2.gz QTCDFPWTHJRXGL-KYZUINATSA-N -1 1 291.311 1.065 20 0 CDADMM CCO[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)oc2C)C1 ZINC001590823127 1173523752 /nfs/dbraw/zinc/52/37/52/1173523752.db2.gz QTCDFPWTHJRXGL-KYZUINATSA-N -1 1 291.311 1.065 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC(C3CC3)C2)n1 ZINC001590904547 1173538454 /nfs/dbraw/zinc/53/84/54/1173538454.db2.gz GNZYBDNUMBDYCK-UHFFFAOYSA-N -1 1 271.328 1.065 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC(C3CC3)C2)n1 ZINC001590904547 1173538457 /nfs/dbraw/zinc/53/84/57/1173538457.db2.gz GNZYBDNUMBDYCK-UHFFFAOYSA-N -1 1 271.328 1.065 20 0 CDADMM CCc1nc(NCC(O)(CC)CC)cc(-c2nnn[n-]2)n1 ZINC001590917173 1173541432 /nfs/dbraw/zinc/54/14/32/1173541432.db2.gz AGECLQUFFOWNNV-UHFFFAOYSA-N -1 1 291.359 1.182 20 0 CDADMM CCc1nc(NCC(O)(CC)CC)cc(-c2nn[n-]n2)n1 ZINC001590917173 1173541434 /nfs/dbraw/zinc/54/14/34/1173541434.db2.gz AGECLQUFFOWNNV-UHFFFAOYSA-N -1 1 291.359 1.182 20 0 CDADMM CCc1nc(N[C@H](C)c2nccn2C)cc(-c2nnn[n-]2)n1 ZINC001590916290 1173542213 /nfs/dbraw/zinc/54/22/13/1173542213.db2.gz CJYNBERTEVZISU-MRVPVSSYSA-N -1 1 299.342 1.126 20 0 CDADMM CCc1nc(N[C@H](C)c2nccn2C)cc(-c2nn[n-]n2)n1 ZINC001590916290 1173542218 /nfs/dbraw/zinc/54/22/18/1173542218.db2.gz CJYNBERTEVZISU-MRVPVSSYSA-N -1 1 299.342 1.126 20 0 CDADMM CCc1nn(C)cc1Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001590929579 1173543175 /nfs/dbraw/zinc/54/31/75/1173543175.db2.gz XVCODSINJYYQPA-UHFFFAOYSA-N -1 1 285.315 1.005 20 0 CDADMM CCc1nn(C)cc1Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001590929579 1173543178 /nfs/dbraw/zinc/54/31/78/1173543178.db2.gz XVCODSINJYYQPA-UHFFFAOYSA-N -1 1 285.315 1.005 20 0 CDADMM CCc1nc(NCc2ccncc2)cc(-c2nnn[n-]2)n1 ZINC001590922834 1173543667 /nfs/dbraw/zinc/54/36/67/1173543667.db2.gz RWSJEOOHCIYQSI-UHFFFAOYSA-N -1 1 282.311 1.226 20 0 CDADMM CCc1nc(NCc2ccncc2)cc(-c2nn[n-]n2)n1 ZINC001590922834 1173543670 /nfs/dbraw/zinc/54/36/70/1173543670.db2.gz RWSJEOOHCIYQSI-UHFFFAOYSA-N -1 1 282.311 1.226 20 0 CDADMM CCc1nc(NCc2ccc(C)nc2)cc(-c2nnn[n-]2)n1 ZINC001590923045 1173544172 /nfs/dbraw/zinc/54/41/72/1173544172.db2.gz KTCYIFGLFAKDAN-UHFFFAOYSA-N -1 1 296.338 1.535 20 0 CDADMM CCc1nc(NCc2ccc(C)nc2)cc(-c2nn[n-]n2)n1 ZINC001590923045 1173544177 /nfs/dbraw/zinc/54/41/77/1173544177.db2.gz KTCYIFGLFAKDAN-UHFFFAOYSA-N -1 1 296.338 1.535 20 0 CDADMM CCc1nocc1C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001590935606 1173546717 /nfs/dbraw/zinc/54/67/17/1173546717.db2.gz KDBCFJAANVTVOY-UHFFFAOYSA-N -1 1 289.251 1.367 20 0 CDADMM CCc1nocc1C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001590935606 1173546723 /nfs/dbraw/zinc/54/67/23/1173546723.db2.gz KDBCFJAANVTVOY-UHFFFAOYSA-N -1 1 289.251 1.367 20 0 CDADMM CN(C(=O)C1CC(C)(C)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590975608 1173556357 /nfs/dbraw/zinc/55/63/57/1173556357.db2.gz CNPNZMDJPJBZOU-UHFFFAOYSA-N -1 1 286.339 1.661 20 0 CDADMM CN(C(=O)C1CC(C)(C)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590975608 1173556360 /nfs/dbraw/zinc/55/63/60/1173556360.db2.gz CNPNZMDJPJBZOU-UHFFFAOYSA-N -1 1 286.339 1.661 20 0 CDADMM CN(C)c1cccc(CNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001591035047 1173563279 /nfs/dbraw/zinc/56/32/79/1173563279.db2.gz OXNZWQRPQIHQKV-UHFFFAOYSA-N -1 1 295.350 1.362 20 0 CDADMM CN(C)c1cccc(CNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001591035047 1173563282 /nfs/dbraw/zinc/56/32/82/1173563282.db2.gz OXNZWQRPQIHQKV-UHFFFAOYSA-N -1 1 295.350 1.362 20 0 CDADMM CN(C[C@@H]1CCCC[C@@H]1O)c1cccnc1-c1nnn[n-]1 ZINC001591056937 1173569235 /nfs/dbraw/zinc/56/92/35/1173569235.db2.gz UWHJGESQJBTNRM-JQWIXIFHSA-N -1 1 288.355 1.249 20 0 CDADMM CN(C[C@@H]1CCCC[C@@H]1O)c1cccnc1-c1nn[n-]n1 ZINC001591056937 1173569237 /nfs/dbraw/zinc/56/92/37/1173569237.db2.gz UWHJGESQJBTNRM-JQWIXIFHSA-N -1 1 288.355 1.249 20 0 CDADMM COC(=O)[C@@H](NCc1ccc(-c2nn[n-]n2)s1)C(C)C ZINC001591235406 1173594828 /nfs/dbraw/zinc/59/48/28/1173594828.db2.gz SGNZIHWJIKSKFY-JTQLQIEISA-N -1 1 295.368 1.215 20 0 CDADMM COC(C)(C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591313508 1173601045 /nfs/dbraw/zinc/60/10/45/1173601045.db2.gz CQJAJASELGWYMU-UHFFFAOYSA-N -1 1 288.764 1.814 20 0 CDADMM CO[C@H](CNc1cccnc1-c1nnn[n-]1)C1CC1 ZINC001591328871 1173611900 /nfs/dbraw/zinc/61/19/00/1173611900.db2.gz LEECGHATTUBSCM-SNVBAGLBSA-N -1 1 260.301 1.099 20 0 CDADMM CO[C@H](CNc1cccnc1-c1nn[n-]n1)C1CC1 ZINC001591328871 1173611904 /nfs/dbraw/zinc/61/19/04/1173611904.db2.gz LEECGHATTUBSCM-SNVBAGLBSA-N -1 1 260.301 1.099 20 0 CDADMM CO[C@@]1(C)CCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001591339169 1173618950 /nfs/dbraw/zinc/61/89/50/1173618950.db2.gz PYACHYZPDCJREC-ZDUSSCGKSA-N -1 1 291.311 1.101 20 0 CDADMM CO[C@@]1(C)CCCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001591339169 1173618953 /nfs/dbraw/zinc/61/89/53/1173618953.db2.gz PYACHYZPDCJREC-ZDUSSCGKSA-N -1 1 291.311 1.101 20 0 CDADMM COC1CC(CCNc2ccc(C)c(-c3nnn[n-]3)n2)C1 ZINC001591347656 1173620708 /nfs/dbraw/zinc/62/07/08/1173620708.db2.gz FSNQQPCLPIGWAI-UHFFFAOYSA-N -1 1 288.355 1.797 20 0 CDADMM COC1CC(CCNc2ccc(C)c(-c3nn[n-]n3)n2)C1 ZINC001591347656 1173620712 /nfs/dbraw/zinc/62/07/12/1173620712.db2.gz FSNQQPCLPIGWAI-UHFFFAOYSA-N -1 1 288.355 1.797 20 0 CDADMM CO[C@@H]1CC[C@H](OC(=O)c2cc(-c3nnn[n-]3)oc2C)C1 ZINC001591351108 1173623696 /nfs/dbraw/zinc/62/36/96/1173623696.db2.gz KDLXJHGMABAFHG-BDAKNGLRSA-N -1 1 292.295 1.492 20 0 CDADMM CO[C@@H]1CC[C@H](OC(=O)c2cc(-c3nn[n-]n3)oc2C)C1 ZINC001591351108 1173623698 /nfs/dbraw/zinc/62/36/98/1173623698.db2.gz KDLXJHGMABAFHG-BDAKNGLRSA-N -1 1 292.295 1.492 20 0 CDADMM CO[C@H]1CC[C@H]1N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001591354160 1173625886 /nfs/dbraw/zinc/62/58/86/1173625886.db2.gz NDTPCZPVIOMQIK-SFYZADRCSA-N -1 1 280.357 1.245 20 0 CDADMM CO[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001591467525 1173655411 /nfs/dbraw/zinc/65/54/11/1173655411.db2.gz OMMGTWMMFFDZNM-PSASIEDQSA-N -1 1 275.316 1.026 20 0 CDADMM CO[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001591467525 1173655413 /nfs/dbraw/zinc/65/54/13/1173655413.db2.gz OMMGTWMMFFDZNM-PSASIEDQSA-N -1 1 275.316 1.026 20 0 CDADMM CS[C@H](C)COC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591689929 1173679198 /nfs/dbraw/zinc/67/91/98/1173679198.db2.gz QCQVSNBSDQCDSS-ZCFIWIBFSA-N -1 1 282.325 1.676 20 0 CDADMM CS[C@H](C)COC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591689929 1173679200 /nfs/dbraw/zinc/67/92/00/1173679200.db2.gz QCQVSNBSDQCDSS-ZCFIWIBFSA-N -1 1 282.325 1.676 20 0 CDADMM COc1ccc(C=O)cc1Oc1ccnc(-c2nnn[n-]2)c1 ZINC001591582320 1173671939 /nfs/dbraw/zinc/67/19/39/1173671939.db2.gz JPYONYCRJNBTHS-UHFFFAOYSA-N -1 1 297.274 1.875 20 0 CDADMM COc1ccc(C=O)cc1Oc1ccnc(-c2nn[n-]n2)c1 ZINC001591582320 1173671942 /nfs/dbraw/zinc/67/19/42/1173671942.db2.gz JPYONYCRJNBTHS-UHFFFAOYSA-N -1 1 297.274 1.875 20 0 CDADMM C[C@]12CSC[C@H]1CN(c1ccnc(-c3nnn[n-]3)c1)C2 ZINC001591780570 1173702392 /nfs/dbraw/zinc/70/23/92/1173702392.db2.gz MJTYEOICQAIBTN-RNCFNFMXSA-N -1 1 288.380 1.451 20 0 CDADMM C[C@]12CSC[C@H]1CN(c1ccnc(-c3nn[n-]n3)c1)C2 ZINC001591780570 1173702397 /nfs/dbraw/zinc/70/23/97/1173702397.db2.gz MJTYEOICQAIBTN-RNCFNFMXSA-N -1 1 288.380 1.451 20 0 CDADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@H]2C[C@H]2C(C)C)nn1C ZINC001591798439 1173707648 /nfs/dbraw/zinc/70/76/48/1173707648.db2.gz IYYLYQNCKRFSLY-IUCAKERBSA-N -1 1 289.343 1.139 20 0 CDADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@H]2C[C@H]2C(C)C)nn1C ZINC001591798439 1173707650 /nfs/dbraw/zinc/70/76/50/1173707650.db2.gz IYYLYQNCKRFSLY-IUCAKERBSA-N -1 1 289.343 1.139 20 0 CDADMM Cc1c(NC(=O)c2coc(-c3nnn[n-]3)c2)n[nH]c1C1CC1 ZINC001591814967 1173708992 /nfs/dbraw/zinc/70/89/92/1173708992.db2.gz ZWBDZHKFMAEEOQ-UHFFFAOYSA-N -1 1 299.294 1.621 20 0 CDADMM Cc1c(NC(=O)c2coc(-c3nn[n-]n3)c2)n[nH]c1C1CC1 ZINC001591814967 1173708993 /nfs/dbraw/zinc/70/89/93/1173708993.db2.gz ZWBDZHKFMAEEOQ-UHFFFAOYSA-N -1 1 299.294 1.621 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](C3CCC3)C2)n1 ZINC001591888751 1173738683 /nfs/dbraw/zinc/73/86/83/1173738683.db2.gz IZGDSBSNPXWZCP-LBPRGKRZSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](C3CCC3)C2)n1 ZINC001591888751 1173738689 /nfs/dbraw/zinc/73/86/89/1173738689.db2.gz IZGDSBSNPXWZCP-LBPRGKRZSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CSC2(C)C)n1 ZINC001591893633 1173740967 /nfs/dbraw/zinc/74/09/67/1173740967.db2.gz MCMWNHPHXWAQGT-QMMMGPOBSA-N -1 1 277.357 1.271 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CSC2(C)C)n1 ZINC001591893633 1173740972 /nfs/dbraw/zinc/74/09/72/1173740972.db2.gz MCMWNHPHXWAQGT-QMMMGPOBSA-N -1 1 277.357 1.271 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCC(C)(F)F)n1 ZINC001591893879 1173740981 /nfs/dbraw/zinc/74/09/81/1173740981.db2.gz FTBPVMJWQBISEF-UHFFFAOYSA-N -1 1 255.232 1.032 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCC(C)(F)F)n1 ZINC001591893879 1173740986 /nfs/dbraw/zinc/74/09/86/1173740986.db2.gz FTBPVMJWQBISEF-UHFFFAOYSA-N -1 1 255.232 1.032 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCC(C2CC2)C2CC2)n1 ZINC001591894512 1173741603 /nfs/dbraw/zinc/74/16/03/1173741603.db2.gz JZRCPMBIDXGADZ-UHFFFAOYSA-N -1 1 285.355 1.813 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCC(C2CC2)C2CC2)n1 ZINC001591894512 1173741611 /nfs/dbraw/zinc/74/16/11/1173741611.db2.gz JZRCPMBIDXGADZ-UHFFFAOYSA-N -1 1 285.355 1.813 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2Cc3ccccc3CO2)n1 ZINC001591891549 1173741972 /nfs/dbraw/zinc/74/19/72/1173741972.db2.gz KJFZADYKLCGABY-UHFFFAOYSA-N -1 1 295.306 1.417 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2Cc3ccccc3CO2)n1 ZINC001591891549 1173741979 /nfs/dbraw/zinc/74/19/79/1173741979.db2.gz KJFZADYKLCGABY-UHFFFAOYSA-N -1 1 295.306 1.417 20 0 CDADMM Cc1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)nc(C)n1 ZINC001592032038 1173777553 /nfs/dbraw/zinc/77/75/53/1173777553.db2.gz TVQWFTMIMZGOJB-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)nc(C)n1 ZINC001592032038 1173777555 /nfs/dbraw/zinc/77/75/55/1173777555.db2.gz TVQWFTMIMZGOJB-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1cc(N[C@H](CO)CC(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001592035702 1173777979 /nfs/dbraw/zinc/77/79/79/1173777979.db2.gz MXWKKHHHEBYWAK-NSHDSACASA-N -1 1 290.371 1.201 20 0 CDADMM Cc1cc(N[C@H](CO)CC(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001592035702 1173777984 /nfs/dbraw/zinc/77/79/84/1173777984.db2.gz MXWKKHHHEBYWAK-NSHDSACASA-N -1 1 290.371 1.201 20 0 CDADMM Cc1cc(NCc2ccc(-c3nn[nH]n3)s2)nc(C)[nH+]1 ZINC001592052069 1173785945 /nfs/dbraw/zinc/78/59/45/1173785945.db2.gz AKUSUUJKGYMYNM-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1ccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)cc1C ZINC001592130253 1173810206 /nfs/dbraw/zinc/81/02/06/1173810206.db2.gz FIIJUBWGDSGQML-UHFFFAOYSA-N -1 1 283.295 1.459 20 0 CDADMM Cc1ccc(N[C@@H]2CSC2(C)C)c(-c2nnn[n-]2)n1 ZINC001592183453 1173827867 /nfs/dbraw/zinc/82/78/67/1173827867.db2.gz DWFWOACLMXGOLB-SECBINFHSA-N -1 1 276.369 1.876 20 0 CDADMM Cc1ccc(N[C@@H]2CSC2(C)C)c(-c2nn[n-]n2)n1 ZINC001592183453 1173827870 /nfs/dbraw/zinc/82/78/70/1173827870.db2.gz DWFWOACLMXGOLB-SECBINFHSA-N -1 1 276.369 1.876 20 0 CDADMM Cc1ccc(N[C@@H]2CCOC[C@@H]2C)c(-c2nnn[n-]2)n1 ZINC001592183412 1173827952 /nfs/dbraw/zinc/82/79/52/1173827952.db2.gz CZCHQNYRHKWXFB-WCBMZHEXSA-N -1 1 274.328 1.407 20 0 CDADMM Cc1ccc(N[C@@H]2CCOC[C@@H]2C)c(-c2nn[n-]n2)n1 ZINC001592183412 1173827953 /nfs/dbraw/zinc/82/79/53/1173827953.db2.gz CZCHQNYRHKWXFB-WCBMZHEXSA-N -1 1 274.328 1.407 20 0 CDADMM Cc1cccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1F ZINC001592221027 1173832308 /nfs/dbraw/zinc/83/23/08/1173832308.db2.gz GEKIVTPBATZLNL-UHFFFAOYSA-N -1 1 287.258 1.290 20 0 CDADMM Cc1cccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1F ZINC001592221027 1173832312 /nfs/dbraw/zinc/83/23/12/1173832312.db2.gz GEKIVTPBATZLNL-UHFFFAOYSA-N -1 1 287.258 1.290 20 0 CDADMM Cc1cccc(NC(=O)c2csc(-c3nn[n-]n3)c2)n1 ZINC001592235428 1173836163 /nfs/dbraw/zinc/83/61/63/1173836163.db2.gz MXKUAPJUXSIZJM-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)c1-c1nn[n-]n1 ZINC001592330021 1173857694 /nfs/dbraw/zinc/85/76/94/1173857694.db2.gz JLMFXYVLASNGOQ-KXUCPTDWSA-N -1 1 299.338 1.439 20 0 CDADMM Cc1nc(N[C@@H](C)c2ccccn2)cc(-c2nnn[n-]2)n1 ZINC001592380658 1173872908 /nfs/dbraw/zinc/87/29/08/1173872908.db2.gz NFBPUBGNEWXTAR-QMMMGPOBSA-N -1 1 282.311 1.533 20 0 CDADMM Cc1nc(N[C@@H](C)c2ccccn2)cc(-c2nn[n-]n2)n1 ZINC001592380658 1173872912 /nfs/dbraw/zinc/87/29/12/1173872912.db2.gz NFBPUBGNEWXTAR-QMMMGPOBSA-N -1 1 282.311 1.533 20 0 CDADMM Cc1nc(N[C@H](C)Cc2ccco2)cc(-c2nnn[n-]2)n1 ZINC001592380990 1173873546 /nfs/dbraw/zinc/87/35/46/1173873546.db2.gz SNDIEFODBOOIBY-MRVPVSSYSA-N -1 1 285.311 1.601 20 0 CDADMM Cc1nc(N[C@H](C)Cc2ccco2)cc(-c2nn[n-]n2)n1 ZINC001592380990 1173873552 /nfs/dbraw/zinc/87/35/52/1173873552.db2.gz SNDIEFODBOOIBY-MRVPVSSYSA-N -1 1 285.311 1.601 20 0 CDADMM Cc1nc(NCc2ccc(O)cc2)cc(-c2nnn[n-]2)n1 ZINC001592395950 1173882059 /nfs/dbraw/zinc/88/20/59/1173882059.db2.gz RLEARGUSUAUVKC-UHFFFAOYSA-N -1 1 283.295 1.283 20 0 CDADMM Cc1nc(NCc2ccc(O)cc2)cc(-c2nn[n-]n2)n1 ZINC001592395950 1173882065 /nfs/dbraw/zinc/88/20/65/1173882065.db2.gz RLEARGUSUAUVKC-UHFFFAOYSA-N -1 1 283.295 1.283 20 0 CDADMM Cc1noc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)c1C ZINC001592462220 1173895773 /nfs/dbraw/zinc/89/57/73/1173895773.db2.gz BFHPYWPRLQAQFY-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1noc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)c1C ZINC001592462220 1173895776 /nfs/dbraw/zinc/89/57/76/1173895776.db2.gz BFHPYWPRLQAQFY-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1occc1C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001592510566 1173908030 /nfs/dbraw/zinc/90/80/30/1173908030.db2.gz NFGVCLQAWDSSMG-UHFFFAOYSA-N -1 1 284.279 1.440 20 0 CDADMM Cc1occc1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001592510566 1173908039 /nfs/dbraw/zinc/90/80/39/1173908039.db2.gz NFGVCLQAWDSSMG-UHFFFAOYSA-N -1 1 284.279 1.440 20 0 CDADMM FC1(C2CC2)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001592628371 1173935121 /nfs/dbraw/zinc/93/51/21/1173935121.db2.gz VLYXJEJYBGDLII-UHFFFAOYSA-N -1 1 289.318 1.375 20 0 CDADMM FC[C@@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC001592632657 1173943798 /nfs/dbraw/zinc/94/37/98/1173943798.db2.gz ZLFGXZUKXHOISM-VIFPVBQESA-N -1 1 299.313 1.606 20 0 CDADMM FC[C@@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001592632657 1173943802 /nfs/dbraw/zinc/94/38/02/1173943802.db2.gz ZLFGXZUKXHOISM-VIFPVBQESA-N -1 1 299.313 1.606 20 0 CDADMM O=C(CC1CCC1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592820042 1173994523 /nfs/dbraw/zinc/99/45/23/1173994523.db2.gz PGFJZEAMJZDJHL-UHFFFAOYSA-N -1 1 277.353 1.735 20 0 CDADMM O=C(C[C@@H]1C[C@H]1C1CC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592907896 1174000108 /nfs/dbraw/zinc/00/01/08/1174000108.db2.gz PGMVNHYAAXVDTL-UWVGGRQHSA-N -1 1 284.323 1.636 20 0 CDADMM O=C(C[C@@H]1C[C@H]1C1CC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592907896 1174000112 /nfs/dbraw/zinc/00/01/12/1174000112.db2.gz PGMVNHYAAXVDTL-UWVGGRQHSA-N -1 1 284.323 1.636 20 0 CDADMM O=C(NC1CC(F)(F)C1)c1csc(-c2nn[n-]n2)c1 ZINC001592965750 1174008869 /nfs/dbraw/zinc/00/88/69/1174008869.db2.gz LRXCXYMUNQUYSQ-UHFFFAOYSA-N -1 1 285.279 1.456 20 0 CDADMM O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1ccc(-c2nnn[n-]2)o1 ZINC001592970981 1174008913 /nfs/dbraw/zinc/00/89/13/1174008913.db2.gz FNMKOMGFTUEBGW-IWSPIJDZSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1ccc(-c2nn[n-]n2)o1 ZINC001592970981 1174008918 /nfs/dbraw/zinc/00/89/18/1174008918.db2.gz FNMKOMGFTUEBGW-IWSPIJDZSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(NCCOC1CCC1)c1csc(-c2nn[n-]n2)c1 ZINC001593096389 1174020305 /nfs/dbraw/zinc/02/03/05/1174020305.db2.gz DLABTSOUQLRNFG-UHFFFAOYSA-N -1 1 293.352 1.227 20 0 CDADMM O=C(NCCCC(F)(F)F)c1coc(-c2nnn[n-]2)c1 ZINC001593066985 1174021467 /nfs/dbraw/zinc/02/14/67/1174021467.db2.gz RLOGGZWMWRSNCD-UHFFFAOYSA-N -1 1 289.217 1.532 20 0 CDADMM O=C(NCCCC(F)(F)F)c1coc(-c2nn[n-]n2)c1 ZINC001593066985 1174021475 /nfs/dbraw/zinc/02/14/75/1174021475.db2.gz RLOGGZWMWRSNCD-UHFFFAOYSA-N -1 1 289.217 1.532 20 0 CDADMM O=C([N-]CCc1ccc(-c2nn[nH]n2)cc1)C(F)(F)F ZINC001593103078 1174021534 /nfs/dbraw/zinc/02/15/34/1174021534.db2.gz BPHJZWWMXFMWHH-UHFFFAOYSA-N -1 1 285.229 1.088 20 0 CDADMM O=C(Nc1ccc(O)cc1)c1ccsc1-c1nnn[n-]1 ZINC001593234844 1174037157 /nfs/dbraw/zinc/03/71/57/1174037157.db2.gz HQCMGUJKOYXTKD-UHFFFAOYSA-N -1 1 287.304 1.886 20 0 CDADMM O=C(Nc1ccc(O)cc1)c1ccsc1-c1nn[n-]n1 ZINC001593234844 1174037169 /nfs/dbraw/zinc/03/71/69/1174037169.db2.gz HQCMGUJKOYXTKD-UHFFFAOYSA-N -1 1 287.304 1.886 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@H]1C[C@@H]1c1ccccc1 ZINC001593261130 1174041951 /nfs/dbraw/zinc/04/19/51/1174041951.db2.gz RPBABQFRGYIZLM-ZJUUUORDSA-N -1 1 295.306 1.332 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CC12CCCC2 ZINC001593267659 1174046367 /nfs/dbraw/zinc/04/63/67/1174046367.db2.gz ICGKDRUBBXHVCI-SSDOTTSWSA-N -1 1 290.352 1.842 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CC12CCCC2 ZINC001593267659 1174046375 /nfs/dbraw/zinc/04/63/75/1174046375.db2.gz ICGKDRUBBXHVCI-SSDOTTSWSA-N -1 1 290.352 1.842 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001593299212 1174057879 /nfs/dbraw/zinc/05/78/79/1174057879.db2.gz PQNQVJFUCHGGIL-UHFFFAOYSA-N -1 1 250.283 1.381 20 0 CDADMM O=c1c(-c2nn[n-]n2)cc2c(n1[C@H]1C=CCCC1)CCC2 ZINC001593490366 1174086864 /nfs/dbraw/zinc/08/68/64/1174086864.db2.gz GLJMXGUDPQYQCL-NSHDSACASA-N -1 1 283.335 1.798 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001593493134 1174088740 /nfs/dbraw/zinc/08/87/40/1174088740.db2.gz ZOONETUHWTZFFR-HBNTYKKESA-N -1 1 269.308 1.241 20 0 CDADMM OCC1(CSc2cccc(F)c2-c2nn[n-]n2)COC1 ZINC001593522032 1174098115 /nfs/dbraw/zinc/09/81/15/1174098115.db2.gz DEVDYHDWEIFXCU-UHFFFAOYSA-N -1 1 296.327 1.107 20 0 CDADMM c1c(-c2nnn[n-]2)nc(C2CC2)nc1N1CC[C@H]1C1CC1 ZINC001593543696 1174111464 /nfs/dbraw/zinc/11/14/64/1174111464.db2.gz CPQGFSPSXCWCAT-NSHDSACASA-N -1 1 283.339 1.523 20 0 CDADMM c1c(-c2nn[n-]n2)nc(C2CC2)nc1N1CC[C@H]1C1CC1 ZINC001593543696 1174111468 /nfs/dbraw/zinc/11/14/68/1174111468.db2.gz CPQGFSPSXCWCAT-NSHDSACASA-N -1 1 283.339 1.523 20 0 CDADMM c1cc2c(c(CNc3ncncc3-c3nn[n-]n3)c1)OCC2 ZINC001593566764 1174141381 /nfs/dbraw/zinc/14/13/81/1174141381.db2.gz QJIGYHZHTKKKHB-UHFFFAOYSA-N -1 1 295.306 1.204 20 0 CDADMM c1ccc(CNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001593574342 1174144515 /nfs/dbraw/zinc/14/45/15/1174144515.db2.gz RHDCAVZGKAEZAG-UHFFFAOYSA-N -1 1 253.269 1.269 20 0 CDADMM c1ccc(CNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001593574342 1174144525 /nfs/dbraw/zinc/14/45/25/1174144525.db2.gz RHDCAVZGKAEZAG-UHFFFAOYSA-N -1 1 253.269 1.269 20 0 CDADMM c1ccc2c(c1)CO[C@H]2CNc1ccnc(-c2nnn[n-]2)c1 ZINC001593580355 1174148402 /nfs/dbraw/zinc/14/84/02/1174148402.db2.gz VGPZJFPOFDCDEJ-AWEZNQCLSA-N -1 1 294.318 1.367 20 0 CDADMM c1ccc2c(c1)CO[C@H]2CNc1ccnc(-c2nn[n-]n2)c1 ZINC001593580355 1174148407 /nfs/dbraw/zinc/14/84/07/1174148407.db2.gz VGPZJFPOFDCDEJ-AWEZNQCLSA-N -1 1 294.318 1.367 20 0 CDADMM c1cnc2cc(Oc3ccnc(-c4nn[n-]n4)n3)ccc2c1 ZINC001593587928 1174154680 /nfs/dbraw/zinc/15/46/80/1174154680.db2.gz QWDZXHZQGQOBBL-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM Cc1c(Cl)c(CNC(C)(C)CC(=O)[O-])nn1C ZINC001600014428 1174339591 /nfs/dbraw/zinc/33/95/91/1174339591.db2.gz BQTUXQSGNNHHCY-UHFFFAOYSA-N -1 1 259.737 1.725 20 0 CDADMM Cc1cc(CN2CCC(n3cc(C(=O)[O-])nn3)CC2)on1 ZINC001600192270 1174397686 /nfs/dbraw/zinc/39/76/86/1174397686.db2.gz BPHHNNSIBIPVJE-UHFFFAOYSA-N -1 1 291.311 1.110 20 0 CDADMM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2cnn[nH]2)cc1 ZINC001600372142 1174458119 /nfs/dbraw/zinc/45/81/19/1174458119.db2.gz PJLYTYJVHSSNEB-JTQLQIEISA-N -1 1 274.280 1.059 20 0 CDADMM Cc1ccc2nc(NC(=O)Cn3cc(C(=O)[O-])cn3)[nH]c2c1 ZINC001600488490 1174489266 /nfs/dbraw/zinc/48/92/66/1174489266.db2.gz JZZMLBHKKHNBFW-UHFFFAOYSA-N -1 1 299.290 1.405 20 0 CDADMM COc1ccc(Sc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC000095299139 1174521254 /nfs/dbraw/zinc/52/12/54/1174521254.db2.gz FIVCDMBMIAYGAA-UHFFFAOYSA-N -1 1 286.320 1.817 20 0 CDADMM COc1ccc(Sc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC000095299139 1174521261 /nfs/dbraw/zinc/52/12/61/1174521261.db2.gz FIVCDMBMIAYGAA-UHFFFAOYSA-N -1 1 286.320 1.817 20 0 CDADMM Cc1nc([C@@H]2CCN(Cc3cccc(C(=O)[O-])n3)C2)no1 ZINC001600697254 1174567785 /nfs/dbraw/zinc/56/77/85/1174567785.db2.gz WIUQHCYPLLJHPH-SNVBAGLBSA-N -1 1 288.307 1.461 20 0 CDADMM Cc1n[nH]c(C2CN(c3nc(Cl)c(C(=O)[O-])s3)C2)n1 ZINC001600694808 1174568072 /nfs/dbraw/zinc/56/80/72/1174568072.db2.gz LYWPTCASTQAYPV-UHFFFAOYSA-N -1 1 299.743 1.525 20 0 CDADMM Cc1nc(C2CN(c3nc(Cl)c(C(=O)[O-])s3)C2)n[nH]1 ZINC001600694808 1174568078 /nfs/dbraw/zinc/56/80/78/1174568078.db2.gz LYWPTCASTQAYPV-UHFFFAOYSA-N -1 1 299.743 1.525 20 0 CDADMM Cc1noc(CN2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)n1 ZINC001600812545 1174624340 /nfs/dbraw/zinc/62/43/40/1174624340.db2.gz JOVHXVJNNHHNMU-WOPDTQHZSA-N -1 1 279.340 1.843 20 0 CDADMM Cc1oc(CSCc2nnc[nH]2)cc1C(=O)[O-] ZINC001600853786 1174645721 /nfs/dbraw/zinc/64/57/21/1174645721.db2.gz BOZFDPPHZVJTBH-UHFFFAOYSA-N -1 1 253.283 1.838 20 0 CDADMM Cc1occc1CN1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001600861615 1174646516 /nfs/dbraw/zinc/64/65/16/1174646516.db2.gz MVHHGGDJIDGIGA-LLVKDONJSA-N -1 1 276.296 1.325 20 0 CDADMM CN1CC(C(=O)NCCCCC2(C(=O)[O-])CCC2)=NC1=O ZINC001600930530 1174668502 /nfs/dbraw/zinc/66/85/02/1174668502.db2.gz YXUBWBNEWHEIQW-UHFFFAOYSA-N -1 1 295.339 1.281 20 0 CDADMM Cn1cc(CN2CC(C)(C(=O)[O-])C2)c(C2CCOCC2)n1 ZINC001600951139 1174674879 /nfs/dbraw/zinc/67/48/79/1174674879.db2.gz ASAJXWUJLSXEST-UHFFFAOYSA-N -1 1 293.367 1.221 20 0 CDADMM Cn1cc(CN[C@H](CC(F)F)C(=O)[O-])c(Cl)n1 ZINC001600952870 1174677070 /nfs/dbraw/zinc/67/70/70/1174677070.db2.gz OHBIDJHNRHDBGK-ZCFIWIBFSA-N -1 1 267.663 1.272 20 0 CDADMM O=C(C=Cc1ccsc1)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001601245131 1174809234 /nfs/dbraw/zinc/80/92/34/1174809234.db2.gz VVAGVKGYDCEHQR-RFMOXSJOSA-N -1 1 291.332 1.297 20 0 CDADMM O=C([O-])c1n[nH]c2ccc(NC(=O)Cc3cnc[nH]3)cc21 ZINC001601371907 1174849132 /nfs/dbraw/zinc/84/91/32/1174849132.db2.gz FNBLJDUUPIFDAP-UHFFFAOYSA-N -1 1 285.263 1.165 20 0 CDADMM O=C([O-])[C@@]1(C(=O)Nc2c[nH]nn2)C[C@@H]1c1ccccc1 ZINC001601704437 1174956448 /nfs/dbraw/zinc/95/64/48/1174956448.db2.gz OUHZGSMQRYEVRL-RNCFNFMXSA-N -1 1 272.264 1.002 20 0 CDADMM O=C([O-])[C@]1(F)CCN(Cc2ccc(CO)cc2)C1 ZINC001601717118 1174964287 /nfs/dbraw/zinc/96/42/87/1174964287.db2.gz PPUWBSFTKBETEH-ZDUSSCGKSA-N -1 1 253.273 1.178 20 0 CDADMM O=C([O-])[C@@H]1CC(=O)N(CN2CCC3(CCCC3)C2)C1 ZINC001601759430 1174993230 /nfs/dbraw/zinc/99/32/30/1174993230.db2.gz POZURRRFQMGEIK-LLVKDONJSA-N -1 1 266.341 1.143 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2c2nnc[nH]2)C1 ZINC001601799368 1175012136 /nfs/dbraw/zinc/01/21/36/1175012136.db2.gz LNELOWABIBDMHK-AXFHLTTASA-N -1 1 292.339 1.359 20 0 CDADMM O=C([O-])Cc1c[nH]n(Cc2cccc3cccnc32)c1=O ZINC001601941584 1175076726 /nfs/dbraw/zinc/07/67/26/1175076726.db2.gz UQXKDOYYRKMZMF-LBPRGKRZSA-N -1 1 283.287 1.654 20 0 CDADMM O=C([O-])C[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)C1CCC1 ZINC001602057479 1175122251 /nfs/dbraw/zinc/12/22/51/1175122251.db2.gz FEOYCUAYHOQKKF-UHFFFAOYSA-N -1 1 252.270 1.152 20 0 CDADMM O=C([O-])COc1cccc(-c2nc([C@@H]3CCCN3)no2)c1 ZINC001602089705 1175127546 /nfs/dbraw/zinc/12/75/46/1175127546.db2.gz KDMHLGGINMNRAD-NSHDSACASA-N -1 1 289.291 1.625 20 0 CDADMM O=C([O-])c1cccc(OCC[N@@H+]2CCCC[C@@H]2C(=O)[O-])c1 ZINC001602449790 1175244944 /nfs/dbraw/zinc/24/49/44/1175244944.db2.gz YAMJMRIPSZUTRC-CYBMUJFWSA-N -1 1 293.319 1.703 20 0 CDADMM O=C([O-])c1cn([C@@H]2CCN(Cc3cccc(F)c3)C2)nn1 ZINC001602499420 1175261247 /nfs/dbraw/zinc/26/12/47/1175261247.db2.gz NRROZDCXGRSZJI-GFCCVEGCSA-N -1 1 290.298 1.562 20 0 CDADMM O=C([O-])c1nc(CNCc2cc[nH]c(=O)c2)ccc1Cl ZINC001602568886 1175300797 /nfs/dbraw/zinc/30/07/97/1175300797.db2.gz KAXHDIOXUKOEFX-UHFFFAOYSA-N -1 1 293.710 1.824 20 0 CDADMM O=C([O-])c1occc1CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001602589678 1175309897 /nfs/dbraw/zinc/30/98/97/1175309897.db2.gz IJYSWYUNXXJFJK-SECBINFHSA-N -1 1 289.291 1.437 20 0 CDADMM CC(C)(C)O[N-]C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000126325452 1175453707 /nfs/dbraw/zinc/45/37/07/1175453707.db2.gz MDHJGPMJOJVMSH-NSHDSACASA-N -1 1 291.351 1.276 20 0 CDADMM CC(=O)N[C@H]1CCN(Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC001603039808 1175481804 /nfs/dbraw/zinc/48/18/04/1175481804.db2.gz JSZDWCXIMBGYEX-JTQLQIEISA-N -1 1 296.754 1.749 20 0 CDADMM CC(=O)c1cccc(CN2CCC(O)(C(=O)[O-])CC2)c1 ZINC001603118376 1175494955 /nfs/dbraw/zinc/49/49/55/1175494955.db2.gz KVNVGHKZFQARPN-UHFFFAOYSA-N -1 1 277.320 1.301 20 0 CDADMM 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DUZWIDWJABFUTG-UHFFFAOYSA-N -1 1 283.291 1.928 20 0 CDADMM O=C(Nc1ccc[nH]1)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148916708 932802520 /nfs/dbraw/zinc/80/25/20/932802520.db2.gz CVNWCUVRAZMIKQ-UHFFFAOYSA-N -1 1 282.277 1.219 20 0 CDADMM Cc1ccc2ccc(C(=O)N3CC(CO)C3)c([O-])c2n1 ZINC001155652652 937660174 /nfs/dbraw/zinc/66/01/74/937660174.db2.gz CGVVARDZYJTOBG-UHFFFAOYSA-N -1 1 272.304 1.313 20 0 CDADMM CCc1c(=O)n(CCN2CCOCC2)[n-]c1C(C)C ZINC001119066346 937693388 /nfs/dbraw/zinc/69/33/88/937693388.db2.gz WEIRHISAXWHRJP-LBPRGKRZSA-N -1 1 267.373 1.199 20 0 CDADMM C[C@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)N(C)C ZINC001119531350 937728785 /nfs/dbraw/zinc/72/87/85/937728785.db2.gz DNSBVXWOQIXZQJ-SNVBAGLBSA-N -1 1 264.325 1.592 20 0 CDADMM CC[C@@H]1CN(C)CCN1C(=O)CCCCC(=O)[O-] ZINC001119588239 937735490 /nfs/dbraw/zinc/73/54/90/937735490.db2.gz WZZOUMCLWINJCV-LLVKDONJSA-N -1 1 256.346 1.184 20 0 CDADMM O=C(N[C@@H]1Cc2ccccc2[C@H]1O)c1cccc([O-])c1F ZINC001412783085 934353039 /nfs/dbraw/zinc/35/30/39/934353039.db2.gz QQVCHQALGARGQX-IUODEOHRSA-N -1 1 287.290 1.919 20 0 CDADMM CN(Cc1ccccc1F)C(=O)Cc1sc(N)nc1[O-] ZINC000079280823 934630996 /nfs/dbraw/zinc/63/09/96/934630996.db2.gz ZLWQVFVJPNPFDG-JTQLQIEISA-N -1 1 295.339 1.131 20 0 CDADMM CSc1nc(NC[C@H](O)C(C)(C)C)cc(=O)[n-]1 ZINC001253718460 935877687 /nfs/dbraw/zinc/87/76/87/935877687.db2.gz ULDIQKPBLQCZSK-ZETCQYMHSA-N -1 1 257.359 1.723 20 0 CDADMM CCc1ocnc1C(=O)NCc1cc(=O)[n-]c(SC)n1 ZINC001413199388 935946888 /nfs/dbraw/zinc/94/68/88/935946888.db2.gz RBFPEMAIMXTUPL-UHFFFAOYSA-N -1 1 294.336 1.385 20 0 CDADMM COc1cccc(CCNC(=O)c2cccc([O-])c2F)n1 ZINC001413310180 935979064 /nfs/dbraw/zinc/97/90/64/935979064.db2.gz NTZYDRDPKUYJPO-UHFFFAOYSA-N -1 1 290.294 1.907 20 0 CDADMM C[C@@H](C(=O)NCc1nc([O-])cc(=O)[nH]1)c1ccccc1 ZINC001413342475 935993568 /nfs/dbraw/zinc/99/35/68/935993568.db2.gz MWXXRWNRWPUATO-SECBINFHSA-N -1 1 273.292 1.308 20 0 CDADMM CCN(C(=O)c1c(C)[nH]c(=O)[n-]c1=S)c1cnn(C)c1 ZINC001123832951 936229882 /nfs/dbraw/zinc/22/98/82/936229882.db2.gz RATUEEFIVOTDAI-UHFFFAOYSA-N -1 1 293.352 1.180 20 0 CDADMM CCC(CC)(NC(=O)[C@H]1CC12CCC2)c1nn[n-]n1 ZINC001156920036 938434147 /nfs/dbraw/zinc/43/41/47/938434147.db2.gz CUJMPTLJKMXTRY-SECBINFHSA-N -1 1 263.345 1.521 20 0 CDADMM Cc1nc(Nc2[n-]c(=O)nc3nc[nH]c32)ccc1F ZINC001159192230 938710493 /nfs/dbraw/zinc/71/04/93/938710493.db2.gz LGDMWBIUJCKSHO-UHFFFAOYSA-N -1 1 260.232 1.645 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2ncc3cccnc3n2)[n-]1 ZINC001159198413 938710995 /nfs/dbraw/zinc/71/09/95/938710995.db2.gz PGAXFQDTBBXTEP-UHFFFAOYSA-N -1 1 280.251 1.140 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2ccc3cccnc3n2)[n-]1 ZINC001159198153 938711064 /nfs/dbraw/zinc/71/10/64/938711064.db2.gz HLYJBLLNVDVDDQ-UHFFFAOYSA-N -1 1 279.263 1.745 20 0 CDADMM Cc1cc2c(ccnc2Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)o1 ZINC001159195987 938711244 /nfs/dbraw/zinc/71/12/44/938711244.db2.gz UNBLTTZKRNAGPG-UHFFFAOYSA-N -1 1 298.262 1.909 20 0 CDADMM CC(C)(C)c1ccnc(Nc2[n-]c(=O)nc3nc[nH]c32)n1 ZINC001159198814 938711440 /nfs/dbraw/zinc/71/14/40/938711440.db2.gz YXHZZQOTTNFUFD-UHFFFAOYSA-N -1 1 285.311 1.890 20 0 CDADMM Cc1cc(C=O)c([O-])c(C(=O)NCC2=CCCOC2)c1 ZINC001160252627 938777869 /nfs/dbraw/zinc/77/78/69/938777869.db2.gz UUKRDMQCBWXZGP-UHFFFAOYSA-N -1 1 275.304 1.590 20 0 CDADMM Cc1cc2c(c(NC3(C(F)(F)F)CC3)n1)C(=O)[N-]C2=O ZINC001160824610 938830135 /nfs/dbraw/zinc/83/01/35/938830135.db2.gz GLSHJCFINRAFEQ-UHFFFAOYSA-N -1 1 285.225 1.780 20 0 CDADMM O=S(=O)([O-])c1cccc(-c2cc(F)c(O)cc2F)n1 ZINC001206761567 940085298 /nfs/dbraw/zinc/08/52/98/940085298.db2.gz MUOMFDDDNMOADJ-UHFFFAOYSA-N -1 1 287.243 1.979 20 0 CDADMM [O-]c1cc(F)c(-c2ccc(-c3nn[nH]n3)nc2)cc1F ZINC001211350882 940749125 /nfs/dbraw/zinc/74/91/25/940749125.db2.gz WXKKZUYVBIOPEU-UHFFFAOYSA-N -1 1 275.218 1.913 20 0 CDADMM Cc1cc(N)ccc1[N-]S(=O)(=O)c1cncc(N)c1 ZINC001214112318 940800108 /nfs/dbraw/zinc/80/01/08/940800108.db2.gz CIJOOZHNXBFGIX-UHFFFAOYSA-N -1 1 278.337 1.355 20 0 CDADMM COc1ncc(Nc2ncc(C)o2)cc1[N-]S(C)(=O)=O ZINC001216151141 940924449 /nfs/dbraw/zinc/92/44/49/940924449.db2.gz GPWYVFVSSNGCHV-UHFFFAOYSA-N -1 1 298.324 1.502 20 0 CDADMM CN(C)Cc1cc(-c2noc(CCC(=O)[O-])n2)ccc1F ZINC001610898905 970782417 /nfs/dbraw/zinc/78/24/17/970782417.db2.gz ZCQKKNMRFNEKNS-UHFFFAOYSA-N -1 1 293.298 1.955 20 0 CDADMM CC(C)(C)OC(=O)c1ccc(C[C@H](N)C(=O)[N-]C#N)cc1 ZINC001220226765 941425689 /nfs/dbraw/zinc/42/56/89/941425689.db2.gz YIQAICQTJYVYQO-LBPRGKRZSA-N -1 1 289.335 1.109 20 0 CDADMM CC(C)(C)OC(=O)N1CC2(CC[C@@H]2OCc2nn[n-]n2)C1 ZINC001223029216 941651746 /nfs/dbraw/zinc/65/17/46/941651746.db2.gz HKOKMHHGUJLGJM-VIFPVBQESA-N -1 1 295.343 1.116 20 0 CDADMM CC(C)Oc1ccc(COCC[P@](=O)([O-])O)cn1 ZINC001224606727 941775534 /nfs/dbraw/zinc/77/55/34/941775534.db2.gz RCYJWKWFFOOJHY-UHFFFAOYSA-N -1 1 275.241 1.563 20 0 CDADMM CC(=O)c1c(O)cc([O-])cc1OC1CN(C(C)C)C1 ZINC001225678557 941898845 /nfs/dbraw/zinc/89/88/45/941898845.db2.gz JGMJJWMLVPJYPP-UHFFFAOYSA-N -1 1 265.309 1.772 20 0 CDADMM CC(=O)c1c[n-]c(=O)nc1O[C@H]1CCC(F)(F)C1 ZINC001226240095 941972376 /nfs/dbraw/zinc/97/23/76/941972376.db2.gz IJLGMTGUMWQWAE-ZETCQYMHSA-N -1 1 258.224 1.951 20 0 CDADMM CC(C)(C)OC(=O)N1CCC(Oc2cnc[n-]c2=O)CC1 ZINC001227046222 942120316 /nfs/dbraw/zinc/12/03/16/942120316.db2.gz YEHKEOYHQSOIEL-UHFFFAOYSA-N -1 1 295.339 1.961 20 0 CDADMM COC1CCC(Oc2nc3c([n-]2)[nH]c(=O)[nH]c3=O)CC1 ZINC001227429814 942175847 /nfs/dbraw/zinc/17/58/47/942175847.db2.gz FVYFLFAAHTVENL-UHFFFAOYSA-N -1 1 280.284 1.101 20 0 CDADMM CCCCC(=O)[C@@H](CCCC)Oc1nc(=O)[nH]c(=O)[n-]1 ZINC001227571499 942190922 /nfs/dbraw/zinc/19/09/22/942190922.db2.gz VAYKUNBGJNLQOJ-SNVBAGLBSA-N -1 1 283.328 1.980 20 0 CDADMM C[C@@H](Oc1[n-]c(=O)nc2c1CO[C@H]2C)c1cncnc1 ZINC001227709627 942207814 /nfs/dbraw/zinc/20/78/14/942207814.db2.gz DVFQVQZYZJPYJE-SFYZADRCSA-N -1 1 274.280 1.703 20 0 CDADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)[C@@H]1C[C@H]1F ZINC001362102023 970888595 /nfs/dbraw/zinc/88/85/95/970888595.db2.gz FTALIKMCISNBOY-NXEZZACHSA-N -1 1 277.259 1.075 20 0 CDADMM C[C@H](Oc1cnnc(=S)[n-]1)c1cnc2ccccn21 ZINC001228638244 942345180 /nfs/dbraw/zinc/34/51/80/942345180.db2.gz CWEVODGBTQUFEF-QMMMGPOBSA-N -1 1 273.321 1.948 20 0 CDADMM C[C@@H](Oc1cnnc(=S)[n-]1)C(=O)OC(C)(C)C ZINC001228642167 942346185 /nfs/dbraw/zinc/34/61/85/942346185.db2.gz MOKUFCWNMGOHBY-ZCFIWIBFSA-N -1 1 257.315 1.269 20 0 CDADMM O=C(N[C@@H]1CCCc2c[nH]nc21)c1cnc(C2CC2)[n-]c1=O ZINC001362112588 970900541 /nfs/dbraw/zinc/90/05/41/970900541.db2.gz YSOGFFCWYRJNSI-LLVKDONJSA-N -1 1 299.334 1.590 20 0 CDADMM C[C@H](CON)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229135881 942422678 /nfs/dbraw/zinc/42/26/78/942422678.db2.gz RROUNZNEAHQXTC-SSDOTTSWSA-N -1 1 251.238 1.156 20 0 CDADMM COc1cc2ccc(=O)oc2c(OC[C@@H]2CCO2)c1[O-] ZINC001229218632 942434129 /nfs/dbraw/zinc/43/41/29/942434129.db2.gz PPZZWNJNLFQYBG-VIFPVBQESA-N -1 1 278.260 1.675 20 0 CDADMM CCC(=O)c1ccc([O-])cc1OC1CS(=O)(=O)C1 ZINC001229477872 942480625 /nfs/dbraw/zinc/48/06/25/942480625.db2.gz PUBJSGDDVNUAHI-UHFFFAOYSA-N -1 1 270.306 1.161 20 0 CDADMM CC[C@@H](C)[C@@H](C)Oc1nc(=O)[n-]cc1C(=O)OC ZINC001229873288 942544982 /nfs/dbraw/zinc/54/49/82/942544982.db2.gz SCSGSICCGIDTSX-HTQZYQBOSA-N -1 1 254.286 1.782 20 0 CDADMM COC(=O)c1c[n-]c(=O)nc1O[C@@H]1C[C@H]2C[C@H]2C1 ZINC001229872589 942547067 /nfs/dbraw/zinc/54/70/67/942547067.db2.gz KKWWAODYEGDIPK-RNLVFQAGSA-N -1 1 250.254 1.146 20 0 CDADMM CCC[C@H](CC(=O)OCC)Oc1nc(C)[n-]c(=O)c1OC ZINC001230020866 942571095 /nfs/dbraw/zinc/57/10/95/942571095.db2.gz GXBUWVCSLGLISN-SNVBAGLBSA-N -1 1 298.339 2.000 20 0 CDADMM COc1c(=O)[n-]c(C)nc1OC[C@H]1CCC=CO1 ZINC001230020879 942571650 /nfs/dbraw/zinc/57/16/50/942571650.db2.gz HJRGYUNYTSFTNN-SECBINFHSA-N -1 1 252.270 1.571 20 0 CDADMM COc1c(O[C@@H]2CCO[C@H](C)C2)nc(C)[n-]c1=O ZINC001230026190 942573377 /nfs/dbraw/zinc/57/33/77/942573377.db2.gz OYKYSRQWXRXTBB-VXNVDRBHSA-N -1 1 254.286 1.446 20 0 CDADMM COC(=O)c1c[n-]c(OC[C@@H]2COc3cscc3O2)n1 ZINC001230281667 942601594 /nfs/dbraw/zinc/60/15/94/942601594.db2.gz CVJHETGGFUCLMQ-ZETCQYMHSA-N -1 1 296.304 1.477 20 0 CDADMM C[C@H](c1ccccn1)N1CCC[C@@H](Oc2n[nH]c(=O)[n-]2)C1 ZINC001231308010 942851020 /nfs/dbraw/zinc/85/10/20/942851020.db2.gz NAFKCWFEHGOYPI-GHMZBOCLSA-N -1 1 289.339 1.510 20 0 CDADMM CCOC(=O)[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001231459205 942900201 /nfs/dbraw/zinc/90/02/01/942900201.db2.gz VGSOFJNXGTWTCU-NSHDSACASA-N -1 1 295.310 1.909 20 0 CDADMM CNC(=O)N[C@H]1CCCN(Cc2ccc(Cl)c([O-])c2)C1 ZINC001231733977 942992055 /nfs/dbraw/zinc/99/20/55/942992055.db2.gz BAAOBQGXNFATOD-NSHDSACASA-N -1 1 297.786 1.939 20 0 CDADMM COc1ccc(CN2CC3(C2)CCOC3)cc1C(=O)[O-] ZINC001231749484 942999466 /nfs/dbraw/zinc/99/94/66/942999466.db2.gz JEOUBGUXCRHSPR-UHFFFAOYSA-N -1 1 277.320 1.616 20 0 CDADMM O=C([O-])COc1ccccc1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001231790861 943016968 /nfs/dbraw/zinc/01/69/68/943016968.db2.gz RPGZIGFUMNFQIT-RWMBFGLXSA-N -1 1 279.311 1.940 20 0 CDADMM [O-]c1cccc(CN2CC[C@H](F)[C@@H](O)C2)c1Cl ZINC001232784773 943392522 /nfs/dbraw/zinc/39/25/22/943392522.db2.gz TYOBACGGTIDYFX-ONGXEEELSA-N -1 1 259.708 1.950 20 0 CDADMM [O-]c1cc(CN2CC3(C2)CCOC3)cc(F)c1F ZINC001232968254 943448472 /nfs/dbraw/zinc/44/84/72/943448472.db2.gz GLPASAMBGTZZMG-UHFFFAOYSA-N -1 1 255.264 1.893 20 0 CDADMM C[C@H]1COCCN(Cc2cc(Cl)ncc2[O-])C1 ZINC001233032652 943467067 /nfs/dbraw/zinc/46/70/67/943467067.db2.gz NTQMKHLQAWFBCP-SECBINFHSA-N -1 1 256.733 1.909 20 0 CDADMM [O-]c1cnc(Cl)cc1CN1CCO[C@H]2C[C@@H](CO)C[C@H]21 ZINC001233032274 943467583 /nfs/dbraw/zinc/46/75/83/943467583.db2.gz HZNYWFUEOPMSNE-NDMJEZRESA-N -1 1 298.770 1.412 20 0 CDADMM COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1Cc1cc(Cl)ncc1[O-] ZINC001233040740 943471664 /nfs/dbraw/zinc/47/16/64/943471664.db2.gz NSVHZZDBIPMUBK-DFAYQTQMSA-N -1 1 296.754 1.967 20 0 CDADMM Cc1ccc(C(=O)OCc2nn[n-]n2)c(C2CC2)n1 ZINC001525995956 971014132 /nfs/dbraw/zinc/01/41/32/971014132.db2.gz PZHDMLJQTJVSTM-UHFFFAOYSA-N -1 1 259.269 1.138 20 0 CDADMM COC(=O)c1nc(C(C)C)[n-]c(=O)c1O[C@H]1CCCOC1 ZINC001234559066 943890572 /nfs/dbraw/zinc/89/05/72/943890572.db2.gz CJVAXHXWLREZPK-VIFPVBQESA-N -1 1 296.323 1.650 20 0 CDADMM COC(=O)c1nc(C(C)C)[n-]c(=O)c1OC(C)C ZINC001234554864 943890784 /nfs/dbraw/zinc/89/07/84/943890784.db2.gz QCVREAQNHCSSFW-UHFFFAOYSA-N -1 1 254.286 1.879 20 0 CDADMM CCCOC[C@H](C)Oc1[n-]c(=O)c(F)cc1C(=O)OC ZINC001234607438 943913297 /nfs/dbraw/zinc/91/32/97/943913297.db2.gz DKSLFWRBEBZLPK-QMMMGPOBSA-N -1 1 287.287 1.907 20 0 CDADMM FC(F)(F)c1nc(=NCCN2CC=CC2)s[n-]1 ZINC000392856214 944447434 /nfs/dbraw/zinc/44/74/34/944447434.db2.gz LQDILKZVSKFLBU-UHFFFAOYSA-N -1 1 264.276 1.263 20 0 CDADMM FC(F)(F)c1nsc(=NCCN2CC=CC2)[n-]1 ZINC000392856214 944447438 /nfs/dbraw/zinc/44/74/38/944447438.db2.gz LQDILKZVSKFLBU-UHFFFAOYSA-N -1 1 264.276 1.263 20 0 CDADMM CN(C(=O)c1csc(-c2cccs2)n1)c1nn[n-]n1 ZINC001279178759 944783786 /nfs/dbraw/zinc/78/37/86/944783786.db2.gz GDPFMKVWAGBXDV-UHFFFAOYSA-N -1 1 292.349 1.661 20 0 CDADMM Cc1ncc(C[N-]S(=O)(=O)c2c(F)cccc2F)cn1 ZINC001259070687 945477864 /nfs/dbraw/zinc/47/78/64/945477864.db2.gz ZCJSFDVGBNTCJJ-UHFFFAOYSA-N -1 1 299.302 1.542 20 0 CDADMM CCn1cnc([N-]S(=O)(=O)C2CCCCC2)c1 ZINC001259809731 945647520 /nfs/dbraw/zinc/64/75/20/945647520.db2.gz CVLXZRYZAYGBAJ-UHFFFAOYSA-N -1 1 257.359 1.977 20 0 CDADMM Cc1ccnc(F)c1[N-]S(=O)(=O)c1cnn(C)c1 ZINC001259820532 945651795 /nfs/dbraw/zinc/65/17/95/945651795.db2.gz APNJGZGRHJFPIK-UHFFFAOYSA-N -1 1 270.289 1.063 20 0 CDADMM CCn1cc(S(=O)(=O)Nc2ccc([S-])cc2)cn1 ZINC001259837851 945662077 /nfs/dbraw/zinc/66/20/77/945662077.db2.gz KMGNOMCMKIAMSX-UHFFFAOYSA-N -1 1 283.378 1.993 20 0 CDADMM CC(=O)c1ccncc1[N-]S(=O)(=O)CC(C)C ZINC001259878861 945675950 /nfs/dbraw/zinc/67/59/50/945675950.db2.gz VIKNTHLLEOKEGB-UHFFFAOYSA-N -1 1 256.327 1.682 20 0 CDADMM O=S(=O)([N-]c1cnccc1Br)C(F)F ZINC001259950860 945739519 /nfs/dbraw/zinc/73/95/19/945739519.db2.gz HZUIOOVTNRKUDB-UHFFFAOYSA-N -1 1 287.085 1.808 20 0 CDADMM O=S(=O)([N-]CC1(CC2CC2)CCOCC1)C(F)F ZINC001259963689 945756955 /nfs/dbraw/zinc/75/69/55/945756955.db2.gz KPTXDXOVRCRVGK-UHFFFAOYSA-N -1 1 283.340 1.725 20 0 CDADMM COC(=O)c1nc2ccc(-c3cnn(C)c3)nc2[n-]1 ZINC001240296086 945757183 /nfs/dbraw/zinc/75/71/83/945757183.db2.gz GRIMDLRCHLVPCZ-UHFFFAOYSA-N -1 1 257.253 1.145 20 0 CDADMM COCCS(=O)(=O)[N-]c1csc2ncccc12 ZINC001259965864 945762640 /nfs/dbraw/zinc/76/26/40/945762640.db2.gz TWZRCURUQPPCCG-UHFFFAOYSA-N -1 1 272.351 1.684 20 0 CDADMM Cc1c([N-]S(=O)(=O)Cc2ccccc2C)ncn1C ZINC001260016698 945775579 /nfs/dbraw/zinc/77/55/79/945775579.db2.gz GRFDZOSJGRRWAR-UHFFFAOYSA-N -1 1 279.365 1.979 20 0 CDADMM Cc1ccsc1S(=O)(=O)[N-]Cc1nnc(C)o1 ZINC001260071983 945785863 /nfs/dbraw/zinc/78/58/63/945785863.db2.gz ASQIJUDZGVPLNN-UHFFFAOYSA-N -1 1 273.339 1.226 20 0 CDADMM COCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260195927 945807194 /nfs/dbraw/zinc/80/71/94/945807194.db2.gz MOPAWEWFUCWWSC-UHFFFAOYSA-N -1 1 285.699 1.543 20 0 CDADMM C[C@@H](CO)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260206469 945807655 /nfs/dbraw/zinc/80/76/55/945807655.db2.gz PQMOQTHQBNVDBA-ZCFIWIBFSA-N -1 1 299.726 1.525 20 0 CDADMM COC(=O)c1nc2ccc(-c3cnn(C)c3C)nc2[n-]1 ZINC001240382961 945824659 /nfs/dbraw/zinc/82/46/59/945824659.db2.gz FLIHBQOFZAKFOL-UHFFFAOYSA-N -1 1 271.280 1.453 20 0 CDADMM Cc1c(F)cc([N-]S(=O)(=O)CS(C)(=O)=O)cc1F ZINC001260592026 945834431 /nfs/dbraw/zinc/83/44/31/945834431.db2.gz YRFAQLLAMUEVIW-UHFFFAOYSA-N -1 1 299.320 1.017 20 0 CDADMM CS(=O)(=O)CS(=O)(=O)[N-]c1ccc2occc2c1 ZINC001260592464 945836356 /nfs/dbraw/zinc/83/63/56/945836356.db2.gz JJLOQEINYLBITC-UHFFFAOYSA-N -1 1 289.334 1.177 20 0 CDADMM CCOC(=O)c1ccncc1[N-]S(=O)(=O)[C@@H](C)CC ZINC001260723715 945862305 /nfs/dbraw/zinc/86/23/05/945862305.db2.gz BCHHECCPBXQBMU-VIFPVBQESA-N -1 1 286.353 1.799 20 0 CDADMM O=C(Nc1nc(Cl)ccc1[O-])[C@]1(F)CCOC1 ZINC001261092103 945958122 /nfs/dbraw/zinc/95/81/22/945958122.db2.gz QMMRQWGEACXYEH-JTQLQIEISA-N -1 1 260.652 1.508 20 0 CDADMM CC[C@H]1[C@H](C)CCN1C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001362363570 971193227 /nfs/dbraw/zinc/19/32/27/971193227.db2.gz BZAWRIQQKJPKJH-SFYZADRCSA-N -1 1 281.312 1.157 20 0 CDADMM CC[C@@H]1[C@@H](C)CCN1C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001362363569 971193563 /nfs/dbraw/zinc/19/35/63/971193563.db2.gz BZAWRIQQKJPKJH-JGVFFNPUSA-N -1 1 281.312 1.157 20 0 CDADMM CCNC(=O)c1ccc(-c2cc(F)ccc2[O-])nn1 ZINC001240695404 945994788 /nfs/dbraw/zinc/99/47/88/945994788.db2.gz KHDAYUCBCHQLHT-UHFFFAOYSA-N -1 1 261.256 1.738 20 0 CDADMM NC(=O)c1ccc(-c2c(F)cc([O-])cc2F)nc1 ZINC001241116951 946161834 /nfs/dbraw/zinc/16/18/34/946161834.db2.gz JCFXPLHWODJJLL-UHFFFAOYSA-N -1 1 250.204 1.831 20 0 CDADMM C[S@](=O)c1ncc(-c2c(F)cc([O-])cc2F)cn1 ZINC001241124787 946165449 /nfs/dbraw/zinc/16/54/49/946165449.db2.gz NQUVPUWJPIEXFJ-SFHVURJKSA-N -1 1 270.260 1.865 20 0 CDADMM O=C1Cc2cc(-c3ccc4c(c3)OCCN4)ccc2C(=O)[N-]1 ZINC001241466987 946307059 /nfs/dbraw/zinc/30/70/59/946307059.db2.gz ZIESHDADHCQERK-UHFFFAOYSA-N -1 1 294.310 1.970 20 0 CDADMM COc1ncc(-c2cncc(F)c2)cc1[N-]S(C)(=O)=O ZINC001244792347 947478159 /nfs/dbraw/zinc/47/81/59/947478159.db2.gz RFFGUTIQHDBSCU-UHFFFAOYSA-N -1 1 297.311 1.663 20 0 CDADMM COc1cc(CO)cc(-c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001244841427 947488075 /nfs/dbraw/zinc/48/80/75/947488075.db2.gz PDSKVWGUUNHPMK-UHFFFAOYSA-N -1 1 283.291 1.430 20 0 CDADMM COc1cc(CO)cc(-c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001244841427 947488081 /nfs/dbraw/zinc/48/80/81/947488081.db2.gz PDSKVWGUUNHPMK-UHFFFAOYSA-N -1 1 283.291 1.430 20 0 CDADMM COCCn1nc(-c2c([O-])cccc2F)ccc1=O ZINC001245653914 947798971 /nfs/dbraw/zinc/79/89/71/947798971.db2.gz HBVPGNVINHHEDI-UHFFFAOYSA-N -1 1 264.256 1.401 20 0 CDADMM Cc1cc2c(c(-c3ccc4c(c3)NC(=O)C4)n1)C(=O)[N-]C2=O ZINC001245889751 947828616 /nfs/dbraw/zinc/82/86/16/947828616.db2.gz XJCHWOZLDHVNMT-UHFFFAOYSA-N -1 1 293.282 1.435 20 0 CDADMM COc1ccc(Cl)cc1-c1noc(Cc2nnn[n-]2)n1 ZINC001247140822 948599049 /nfs/dbraw/zinc/59/90/49/948599049.db2.gz ZIQGIQKXRHFWEA-UHFFFAOYSA-N -1 1 292.686 1.503 20 0 CDADMM COc1ccc(Cl)cc1-c1noc(Cc2nn[n-]n2)n1 ZINC001247140822 948599056 /nfs/dbraw/zinc/59/90/56/948599056.db2.gz ZIQGIQKXRHFWEA-UHFFFAOYSA-N -1 1 292.686 1.503 20 0 CDADMM c1cn(-c2ccccc2-c2noc(Cc3nnn[n-]3)n2)cn1 ZINC001247141838 948600193 /nfs/dbraw/zinc/60/01/93/948600193.db2.gz BDDYDUYUCUATIU-UHFFFAOYSA-N -1 1 294.278 1.026 20 0 CDADMM c1cn(-c2ccccc2-c2noc(Cc3nn[n-]n3)n2)cn1 ZINC001247141838 948600199 /nfs/dbraw/zinc/60/01/99/948600199.db2.gz BDDYDUYUCUATIU-UHFFFAOYSA-N -1 1 294.278 1.026 20 0 CDADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCCC[C@@H](C)C1 ZINC001362671139 971513916 /nfs/dbraw/zinc/51/39/16/971513916.db2.gz YZECZXQZMWFQKC-MRVPVSSYSA-N -1 1 281.312 1.159 20 0 CDADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(C)c(C)o2)co1 ZINC001362689513 971531844 /nfs/dbraw/zinc/53/18/44/971531844.db2.gz JVBIENZKBBJBPJ-UHFFFAOYSA-N -1 1 299.308 1.045 20 0 CDADMM CCN1CC[N@@H+](Cc2ccc(C(=O)[O-])s2)C[C@@H]1C ZINC000110725241 949219839 /nfs/dbraw/zinc/21/98/39/949219839.db2.gz NAEVUANQCQAHNI-JTQLQIEISA-N -1 1 268.382 1.972 20 0 CDADMM CCN1CCN(Cc2ccc(C(=O)[O-])s2)C[C@@H]1C ZINC000110725241 949219863 /nfs/dbraw/zinc/21/98/63/949219863.db2.gz NAEVUANQCQAHNI-JTQLQIEISA-N -1 1 268.382 1.972 20 0 CDADMM Cn1cc(CN2CCC[C@H](OCC3CC3)C2)c(C(=O)[O-])n1 ZINC001650013920 1169607944 /nfs/dbraw/zinc/60/79/44/1169607944.db2.gz VNYHNAHHGQLVPN-ZDUSSCGKSA-N -1 1 293.367 1.509 20 0 CDADMM CC(C)c1nnc([N-]c2ccccc2CC(N)=O)o1 ZINC001249597445 949695060 /nfs/dbraw/zinc/69/50/60/949695060.db2.gz JYRMNVKAKPSEIA-UHFFFAOYSA-N -1 1 260.297 1.964 20 0 CDADMM Nc1ncnc2nn(-c3cc(Cl)c([O-])cc3F)cc21 ZINC001250020441 949964287 /nfs/dbraw/zinc/96/42/87/949964287.db2.gz KXVLHMSRQHVAMV-UHFFFAOYSA-N -1 1 279.662 1.678 20 0 CDADMM CC(=O)N(CC(=O)Nc1c(C)[n-][nH]c1=O)c1ccccc1 ZINC001362793972 971624677 /nfs/dbraw/zinc/62/46/77/971624677.db2.gz JHWAZAOPXYZCKK-UHFFFAOYSA-N -1 1 288.307 1.415 20 0 CDADMM Nc1ncn(-c2c(F)ccc([O-])c2Cl)c2ncnc1-2 ZINC001250228109 950039197 /nfs/dbraw/zinc/03/91/97/950039197.db2.gz LULAEDYGQJEZBT-UHFFFAOYSA-N -1 1 279.662 1.847 20 0 CDADMM O=C(Cc1c(Cl)ccc([O-])c1F)N1CCOCC1 ZINC001250282837 950083203 /nfs/dbraw/zinc/08/32/03/950083203.db2.gz YDQKUKHCEQQAFH-UHFFFAOYSA-N -1 1 273.691 1.586 20 0 CDADMM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CC[C@H](c2[nH]ncc2N)C1 ZINC001602846857 971681334 /nfs/dbraw/zinc/68/13/34/971681334.db2.gz BQZRKLKGJVRYTR-WPRPVWTQSA-N -1 1 294.355 1.055 20 0 CDADMM NS(=O)(=O)c1ccc2[n-]c(C3OC=CC3=S)nc2c1 ZINC001251546889 950715401 /nfs/dbraw/zinc/71/54/01/950715401.db2.gz RSEIQYJROQBXMY-UHFFFAOYSA-N -1 1 295.345 1.759 20 0 CDADMM Cc1ccccc1[C@@H](C)NCCS(=O)(=O)CC(=O)[O-] ZINC000311816521 950747401 /nfs/dbraw/zinc/74/74/01/950747401.db2.gz PPMQPNCYJVKAKD-LLVKDONJSA-N -1 1 285.365 1.145 20 0 CDADMM O=c1nc2nc[nH]c2c(NC[C@H](O)c2ccccc2)[n-]1 ZINC001252012247 951048023 /nfs/dbraw/zinc/04/80/23/951048023.db2.gz APPNYWRVZYOZLW-VIFPVBQESA-N -1 1 271.280 1.156 20 0 CDADMM CCOC(=O)c1cc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)n[nH]1 ZINC001591092230 951065187 /nfs/dbraw/zinc/06/51/87/951065187.db2.gz TYZHMQYMVYVYLF-VIFPVBQESA-N -1 1 297.311 1.272 20 0 CDADMM O=C(NCc1nc(C(F)F)no1)c1ccc([O-])cn1 ZINC001362921223 971730534 /nfs/dbraw/zinc/73/05/34/971730534.db2.gz XMTKXQPTSWPDSO-UHFFFAOYSA-N -1 1 270.195 1.038 20 0 CDADMM O=C([O-])CC[C@H]1CCCN(Cc2noc3c2COCC3)C1 ZINC001595016995 951296571 /nfs/dbraw/zinc/29/65/71/951296571.db2.gz JKPMIVBHGLXCKU-LLVKDONJSA-N -1 1 294.351 1.824 20 0 CDADMM COC[C@]1(C(=O)[O-])CCN(Cc2csc(C)n2)C1 ZINC000394080235 951446567 /nfs/dbraw/zinc/44/65/67/951446567.db2.gz PDYJVQNWNONELJ-LBPRGKRZSA-N -1 1 270.354 1.375 20 0 CDADMM CCCCS(=O)(=O)[N-]c1cnn2c1OCCC2 ZINC001253793316 952122655 /nfs/dbraw/zinc/12/26/55/952122655.db2.gz LWXGXHAYSWLOMO-UHFFFAOYSA-N -1 1 259.331 1.207 20 0 CDADMM CCCCS(=O)(=O)[N-]c1cc(F)cnc1OC ZINC001253786617 952115587 /nfs/dbraw/zinc/11/55/87/952115587.db2.gz GOJZZLSFBBUYPD-UHFFFAOYSA-N -1 1 262.306 1.771 20 0 CDADMM COc1ccc(SCC(=O)Nc2c[n-][nH]c2=O)cc1 ZINC001363127711 971909855 /nfs/dbraw/zinc/90/98/55/971909855.db2.gz NAUXQSGXGHRSTC-UHFFFAOYSA-N -1 1 279.321 1.855 20 0 CDADMM CCC[C@@H](C)N1C[C@H](C(=O)[N-]OC2CCC2)CC1=O ZINC001324612476 953470923 /nfs/dbraw/zinc/47/09/23/953470923.db2.gz MSQDXRKRNJDBMJ-GHMZBOCLSA-N -1 1 268.357 1.624 20 0 CDADMM C[C@@H](c1nccc(N)n1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001589279570 953481269 /nfs/dbraw/zinc/48/12/69/953481269.db2.gz NLOVTNBPPBYCCD-KXUCPTDWSA-N -1 1 264.329 1.162 20 0 CDADMM C[C@H]1C[C@@H](C(=O)[O-])CN(CC(=O)N(C)CC(F)(F)F)C1 ZINC001589280073 953488018 /nfs/dbraw/zinc/48/80/18/953488018.db2.gz VFNRZHZMVHPWHC-DTWKUNHWSA-N -1 1 296.289 1.050 20 0 CDADMM Cn1cc([C@H](O)C(=O)Nc2cc([O-])c(F)cc2F)cn1 ZINC001363183379 971953401 /nfs/dbraw/zinc/95/34/01/971953401.db2.gz IJUAJNWKQHCNRB-NSHDSACASA-N -1 1 283.234 1.076 20 0 CDADMM C[C@H]1CCN(CN2CCC[C@@H](CCC(=O)[O-])C2)C1=O ZINC001589355834 954142008 /nfs/dbraw/zinc/14/20/08/954142008.db2.gz 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1173914772 /nfs/dbraw/zinc/91/47/72/1173914772.db2.gz WGSIVCCINSISNA-UHFFFAOYSA-N -1 1 294.731 1.379 20 0 CDADMM Clc1nc(N2CC3(C2)CCOC3)sc1-c1nnn[n-]1 ZINC001592540880 1173916340 /nfs/dbraw/zinc/91/63/40/1173916340.db2.gz QLAHUWFJIPHHOZ-UHFFFAOYSA-N -1 1 298.759 1.203 20 0 CDADMM Clc1nc(N2CC3(C2)CCOC3)sc1-c1nn[n-]n1 ZINC001592540880 1173916343 /nfs/dbraw/zinc/91/63/43/1173916343.db2.gz QLAHUWFJIPHHOZ-UHFFFAOYSA-N -1 1 298.759 1.203 20 0 CDADMM Clc1sc(N[C@H]2CCOC2)nc1-c1nn[n-]n1 ZINC001592544462 1173919082 /nfs/dbraw/zinc/91/90/82/1173919082.db2.gz XWDJXYDKVLBMCA-BYPYZUCNSA-N -1 1 272.721 1.177 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1CN1OC2CCC1CC2 ZINC001593551958 1174124143 /nfs/dbraw/zinc/12/41/43/1174124143.db2.gz UYPAZGIEOBPIRM-UHFFFAOYSA-N -1 1 261.285 1.518 20 0 CDADMM CC(C)C1(O)CCN(Cc2cn(C)nc2C(=O)[O-])CC1 ZINC001573493366 1170673576 /nfs/dbraw/zinc/67/35/76/1170673576.db2.gz KSXCASYIEYVFQR-UHFFFAOYSA-N -1 1 281.356 1.101 20 0 CDADMM CCN(CC(=O)[O-])C(=O)c1c2[nH]cnc2ccc1F ZINC001573769136 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CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@H](C3OCCO3)C2)n1 ZINC000176853512 189011592 /nfs/dbraw/zinc/01/15/92/189011592.db2.gz CUTBGQWRMMYMHA-NSHDSACASA-N -1 1 293.367 1.330 20 0 CDADMM C[C@H](O)CN(CC(F)F)C(=O)c1ccc([O-])cc1F ZINC000456575312 363719732 /nfs/dbraw/zinc/71/97/32/363719732.db2.gz IHMUVUDSPCIAFO-ZETCQYMHSA-N -1 1 277.242 1.619 20 0 CDADMM Cc1cc(NC(=O)c2cccc3nc([O-])oc32)c(=O)n(C)c1 ZINC000337651189 360316515 /nfs/dbraw/zinc/31/65/15/360316515.db2.gz LFWXYKQQCQXHOZ-UHFFFAOYSA-N -1 1 299.286 1.793 20 0 CDADMM C[C@H]1CCN(C(=O)c2cccc3c[nH]nc32)C[C@@H]1C(=O)[O-] ZINC000514726466 360365370 /nfs/dbraw/zinc/36/53/70/360365370.db2.gz BFMHBGBZWWFPSV-CABZTGNLSA-N -1 1 287.319 1.746 20 0 CDADMM Cn1ncc2c1[n-]cc(C(=O)NC1(C(F)F)CC1)c2=O ZINC000337709574 360367818 /nfs/dbraw/zinc/36/78/18/360367818.db2.gz ZVGOBFCHMKDPOG-UHFFFAOYSA-N -1 1 282.250 1.201 20 0 CDADMM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccn(C)n1 ZINC000515350506 360480107 /nfs/dbraw/zinc/48/01/07/360480107.db2.gz 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/nfs/dbraw/zinc/05/41/09/361054109.db2.gz NOGXKHWTBOEEKE-QMMMGPOBSA-N -1 1 289.426 1.451 20 0 CDADMM COCCS(=O)(=O)[N-]c1cn(-c2ccccc2)nc1C ZINC000180350073 189251407 /nfs/dbraw/zinc/25/14/07/189251407.db2.gz SZSLYVSPZJPDHJ-UHFFFAOYSA-N -1 1 295.364 1.569 20 0 CDADMM CCCCOCC[N-]S(=O)(=O)c1sccc1F ZINC000338877051 361091171 /nfs/dbraw/zinc/09/11/71/361091171.db2.gz RCNUNWNKKSYYHW-UHFFFAOYSA-N -1 1 281.374 1.982 20 0 CDADMM CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1sccc1F ZINC000338930012 361139362 /nfs/dbraw/zinc/13/93/62/361139362.db2.gz SRTLZHIZDDYWMR-SECBINFHSA-N -1 1 281.374 1.573 20 0 CDADMM CC(C)CN1CCO[C@@H](CN=c2[n-]nc(C(F)F)o2)C1 ZINC000432343032 361149965 /nfs/dbraw/zinc/14/99/65/361149965.db2.gz QGTRYFYMBDSNQS-VIFPVBQESA-N -1 1 290.314 1.198 20 0 CDADMM COC(=O)c1c[n-]c(SCC(=O)Nc2nccs2)n1 ZINC000432668551 361181386 /nfs/dbraw/zinc/18/13/86/361181386.db2.gz KKFQIPXTDNIOKM-UHFFFAOYSA-N -1 1 298.349 1.384 20 0 CDADMM O=C(NCC[C@H]1CCCCO1)c1cncc([O-])c1 ZINC000181369239 189295003 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O=C([O-])CN(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000237996945 361503907 /nfs/dbraw/zinc/50/39/07/361503907.db2.gz FRGWGNQVRGJZFY-ZDUSSCGKSA-N -1 1 275.304 1.900 20 0 CDADMM O=C(c1cncc([O-])c1)N1CCC(O)(c2ccccc2)CC1 ZINC000183839179 189369387 /nfs/dbraw/zinc/36/93/87/189369387.db2.gz GGWNFTSORAUXLH-UHFFFAOYSA-N -1 1 298.342 1.911 20 0 CDADMM COC(=O)c1ccc([O-])c(NC(=O)c2cscn2)c1 ZINC000436512090 361525849 /nfs/dbraw/zinc/52/58/49/361525849.db2.gz XTMMZEPXRRRLMK-UHFFFAOYSA-N -1 1 278.289 1.888 20 0 CDADMM COc1ccccc1[C@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC000329597320 361560042 /nfs/dbraw/zinc/56/00/42/361560042.db2.gz PKCMLCBOSYCZOE-GFCCVEGCSA-N -1 1 288.351 1.454 20 0 CDADMM O=C(N[C@@H]1c2ccccc2C[C@@H]1O)C(=O)c1ccc([O-])cc1 ZINC000436707788 361562766 /nfs/dbraw/zinc/56/27/66/361562766.db2.gz QBBYQMJNCFQNCB-LSDHHAIUSA-N -1 1 297.310 1.349 20 0 CDADMM Cc1ccc(S(=O)(=O)[N-]CC(F)(F)CO)c(F)c1 ZINC000184300926 189382751 /nfs/dbraw/zinc/38/27/51/189382751.db2.gz VGHPKADGJQJAQC-UHFFFAOYSA-N -1 1 283.271 1.040 20 0 CDADMM O=C(NCCCNc1ccccn1)C(=O)c1ccc([O-])cc1 ZINC000436888129 361600557 /nfs/dbraw/zinc/60/05/57/361600557.db2.gz QFZALMNCOGKXLJ-UHFFFAOYSA-N -1 1 299.330 1.588 20 0 CDADMM Cn1c(CNC(=O)c2c([O-])cccc2F)nnc1C1CC1 ZINC000436889175 361601129 /nfs/dbraw/zinc/60/11/29/361601129.db2.gz QBDXUZIBQUNXSU-UHFFFAOYSA-N -1 1 290.298 1.467 20 0 CDADMM CC(C)(CC(N)=O)NC(=O)c1ccc2ccccc2c1[O-] ZINC000184598885 189389927 /nfs/dbraw/zinc/38/99/27/189389927.db2.gz OBGULRTVOGYWIL-UHFFFAOYSA-N -1 1 286.331 1.929 20 0 CDADMM CCc1ccc(C(=O)N2CC(=O)Nc3cnccc32)c([O-])c1 ZINC000436834658 361586227 /nfs/dbraw/zinc/58/62/27/361586227.db2.gz QGSDVWGYXUOFGA-UHFFFAOYSA-N -1 1 297.314 1.949 20 0 CDADMM Cc1cncc(CNC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000436984687 361631628 /nfs/dbraw/zinc/63/16/28/361631628.db2.gz MOVRZZRJFQGIGK-UHFFFAOYSA-N -1 1 270.288 1.595 20 0 CDADMM CO[C@H]1C[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)C1(C)C ZINC000436943373 361615912 /nfs/dbraw/zinc/61/59/12/361615912.db2.gz LYOYGOGAZGBPHK-NEPJUHHUSA-N -1 1 277.320 1.505 20 0 CDADMM CN(Cc1nc(=O)n(C)[n-]1)Cc1c(F)cccc1F ZINC000339601026 361637731 /nfs/dbraw/zinc/63/77/31/361637731.db2.gz NAWLMKJNVIOKQO-UHFFFAOYSA-N -1 1 268.267 1.019 20 0 CDADMM Cc1nc(SC[C@@H]2CCCNC2=O)[n-]c(=O)c1C ZINC000582228274 361671447 /nfs/dbraw/zinc/67/14/47/361671447.db2.gz XYCUMJHJEHBBDW-VIFPVBQESA-N -1 1 267.354 1.417 20 0 CDADMM CC[C@@H](F)CN1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000566367900 370697525 /nfs/dbraw/zinc/69/75/25/370697525.db2.gz SMDCUEIXHBWTLV-ZJUUUORDSA-N -1 1 270.308 1.361 20 0 CDADMM CC[C@H](NC(=O)c1cc2ccccc2cc1[O-])C(=O)NC ZINC000457008860 363864521 /nfs/dbraw/zinc/86/45/21/363864521.db2.gz LZDHSGGTGAFWLX-ZDUSSCGKSA-N -1 1 286.331 1.800 20 0 CDADMM COC[C@@H]1CCCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000456976239 363848994 /nfs/dbraw/zinc/84/89/94/363848994.db2.gz YNOMKFUEBNLTLY-LBPRGKRZSA-N -1 1 277.320 1.602 20 0 CDADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)C1CCC=CCC1 ZINC000636282576 363918614 /nfs/dbraw/zinc/91/86/14/363918614.db2.gz NMWOIBYZPOBYBC-UHFFFAOYSA-N -1 1 276.340 1.185 20 0 CDADMM CCCC[C@H](NC(=O)[C@@](C)(N)c1ccccc1)C(=O)[O-] ZINC000052882547 363985367 /nfs/dbraw/zinc/98/53/67/363985367.db2.gz FENCOKHNQRIBGH-WFASDCNBSA-N -1 1 278.352 1.620 20 0 CDADMM CC(C)CO[N-]C(=O)[C@H](c1ccccc1)N(C)C ZINC000269663732 364291190 /nfs/dbraw/zinc/29/11/90/364291190.db2.gz DUFNXOCGVBSZIH-ZDUSSCGKSA-N -1 1 250.342 1.993 20 0 CDADMM CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1nnn[n-]1 ZINC000269673791 364294510 /nfs/dbraw/zinc/29/45/10/364294510.db2.gz GVKRHZGGJDIABU-GFCCVEGCSA-N -1 1 298.347 1.079 20 0 CDADMM CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1nn[n-]n1 ZINC000269673791 364294516 /nfs/dbraw/zinc/29/45/16/364294516.db2.gz GVKRHZGGJDIABU-GFCCVEGCSA-N -1 1 298.347 1.079 20 0 CDADMM CN(C[C@@H]1CCC[C@@H]1O)C(=O)c1cc(F)ccc1[O-] ZINC000270124369 364465984 /nfs/dbraw/zinc/46/59/84/364465984.db2.gz NBZLYZUGDBEWQX-CABZTGNLSA-N -1 1 267.300 1.764 20 0 CDADMM c1cc2c(cc1SCc1nn[n-]n1)OCCCO2 ZINC000353311192 365127805 /nfs/dbraw/zinc/12/78/05/365127805.db2.gz ZHOOMSVNJAYDCH-UHFFFAOYSA-N -1 1 264.310 1.653 20 0 CDADMM O=S(=O)([N-]C[C@H]1CCCOC1)c1cccc(F)c1F ZINC000171070017 365197782 /nfs/dbraw/zinc/19/77/82/365197782.db2.gz ZPCUEGLIALDNQE-SECBINFHSA-N -1 1 291.319 1.670 20 0 CDADMM COCCCN(CCO)C(=O)c1cc(Cl)ccc1[O-] ZINC000275700720 193107863 /nfs/dbraw/zinc/10/78/63/193107863.db2.gz BOENAFICOBUBHT-UHFFFAOYSA-N -1 1 287.743 1.517 20 0 CDADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N([C@H](C)C1CC1)C1CC1 ZINC000357565576 367067731 /nfs/dbraw/zinc/06/77/31/367067731.db2.gz OVPGMUFMTXMEGJ-SSDOTTSWSA-N -1 1 293.323 1.300 20 0 CDADMM COc1cccc(CN=c2[n-]ncn2Cc2ccccc2)n1 ZINC000516697933 367181174 /nfs/dbraw/zinc/18/11/74/367181174.db2.gz DXIKEFPFAKWRTB-UHFFFAOYSA-N -1 1 295.346 1.764 20 0 CDADMM C[C@H](CO)NC(=O)c1cc(Br)ccc1[O-] ZINC000221072759 367279333 /nfs/dbraw/zinc/27/93/33/367279333.db2.gz ZJSMXDYLSIMLNB-ZCFIWIBFSA-N -1 1 274.114 1.265 20 0 CDADMM CC(C)c1nc(S(=O)(=O)[N-]C2(C(F)F)CC2)cn1C ZINC000416528223 242037593 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ZINC000632436106 377452205 /nfs/dbraw/zinc/45/22/05/377452205.db2.gz CNUXBNKZYQYGOH-SNVBAGLBSA-N -1 1 296.334 1.624 20 0 CDADMM CC(C)n1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)n1 ZINC000265086149 190156973 /nfs/dbraw/zinc/15/69/73/190156973.db2.gz YTKSBIPYBWUMMD-UHFFFAOYSA-N -1 1 288.233 1.853 20 0 CDADMM CCO[C@H](C)c1noc(CN(C)Cc2ncccc2[O-])n1 ZINC000571841184 377555161 /nfs/dbraw/zinc/55/51/61/377555161.db2.gz RRZWMNDFNIWOJJ-SNVBAGLBSA-N -1 1 292.339 1.900 20 0 CDADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(=O)[nH]c2)c1 ZINC000436514390 249420861 /nfs/dbraw/zinc/42/08/61/249420861.db2.gz PEZXWQAKMSJJHQ-UHFFFAOYSA-N -1 1 288.259 1.532 20 0 CDADMM C[C@@H]1CN(C(=O)Cc2ccc([O-])c(Cl)c2)C[C@H](CO)O1 ZINC000632712673 377773878 /nfs/dbraw/zinc/77/38/78/377773878.db2.gz WVYOBKREQSXOJU-MWLCHTKSSA-N -1 1 299.754 1.196 20 0 CDADMM C[C@H](C[S@](C)=O)NC(=O)c1ccc([O-])cc1F ZINC000133741146 377950550 /nfs/dbraw/zinc/95/05/50/377950550.db2.gz WBNAKNUCPUGNPR-IWEMQMMOSA-N -1 1 259.302 1.028 20 0 CDADMM CCC1(O)CN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000632912488 377974644 /nfs/dbraw/zinc/97/46/44/377974644.db2.gz OZXWVWBBLWSISK-UHFFFAOYSA-N -1 1 269.728 1.571 20 0 CDADMM CC[C@H](C(=O)[O-])N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000191438732 378064017 /nfs/dbraw/zinc/06/40/17/378064017.db2.gz KLAPRCUJXGUFSA-DTWKUNHWSA-N -1 1 268.279 1.418 20 0 CDADMM CNC(=O)C[C@@H](C)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633335788 378340970 /nfs/dbraw/zinc/34/09/70/378340970.db2.gz PJSSGOQAPRWBKV-MRVPVSSYSA-N -1 1 284.743 1.229 20 0 CDADMM COCCn1ccc(C(=O)Nc2ccc(F)cc2[O-])n1 ZINC000439760726 249725551 /nfs/dbraw/zinc/72/55/51/249725551.db2.gz YHUAQICJQQMUIM-UHFFFAOYSA-N -1 1 279.271 1.627 20 0 CDADMM C[C@@H](CCO)N(C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633581310 378559263 /nfs/dbraw/zinc/55/92/63/378559263.db2.gz LMTAZHBNIBGYNO-VIFPVBQESA-N -1 1 271.744 1.817 20 0 CDADMM O=C(c1c(F)ccc([O-])c1F)N1C[C@@H](F)[C@@H](F)C1 ZINC000334542816 378961864 /nfs/dbraw/zinc/96/18/64/378961864.db2.gz NFQROPZYBLGUTN-KNVOCYPGSA-N -1 1 263.190 1.802 20 0 CDADMM Cc1[nH]c2ccccc2c1CC(=O)Nc1nnn[n-]1 ZINC000069897276 379086401 /nfs/dbraw/zinc/08/64/01/379086401.db2.gz UEUUVADJKDMTKU-UHFFFAOYSA-N -1 1 256.269 1.171 20 0 CDADMM Cc1[nH]c2ccccc2c1CC(=O)Nc1nn[n-]n1 ZINC000069897276 379086413 /nfs/dbraw/zinc/08/64/13/379086413.db2.gz UEUUVADJKDMTKU-UHFFFAOYSA-N -1 1 256.269 1.171 20 0 CDADMM Cc1cc2cc(CNC(=O)c3cnn[nH]3)ccc2[nH]1 ZINC000344071936 379135296 /nfs/dbraw/zinc/13/52/96/379135296.db2.gz UWBDTICLLYMJDB-UHFFFAOYSA-N -1 1 255.281 1.524 20 0 CDADMM O=C(NCc1ccc(OC(F)F)cn1)c1ncccc1[O-] ZINC000446782300 250315783 /nfs/dbraw/zinc/31/57/83/250315783.db2.gz BLOWGQBGFBLGGT-UHFFFAOYSA-N -1 1 295.245 1.714 20 0 CDADMM C[C@@H](NC(=O)c1cncc([O-])c1)c1c(F)cncc1F ZINC000344155325 379229665 /nfs/dbraw/zinc/22/96/65/379229665.db2.gz QXQSCOFXBFLSHB-SSDOTTSWSA-N -1 1 279.246 1.951 20 0 CDADMM C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000041043096 379311626 /nfs/dbraw/zinc/31/16/26/379311626.db2.gz JCIZELMEHAIVAZ-UHFFFAOYSA-N -1 1 285.550 1.406 20 0 CDADMM COC(=O)c1csc(S(=O)(=O)[N-]CC(F)F)c1 ZINC000267787128 190354387 /nfs/dbraw/zinc/35/43/87/190354387.db2.gz RDMIAUVYXXPIBB-UHFFFAOYSA-N -1 1 285.293 1.078 20 0 CDADMM O=C(Nc1nnn[n-]1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000279118700 194292496 /nfs/dbraw/zinc/29/24/96/194292496.db2.gz WUJUQQTYMRMECP-RFZPGFLSSA-N -1 1 269.717 1.657 20 0 CDADMM O=C(Nc1nn[n-]n1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000279118700 194292497 /nfs/dbraw/zinc/29/24/97/194292497.db2.gz WUJUQQTYMRMECP-RFZPGFLSSA-N -1 1 269.717 1.657 20 0 CDADMM C[C@H]1OCC[C@]12CN(C(=O)c1cncc([O-])c1)C[C@@H](C)O2 ZINC000279229500 194342769 /nfs/dbraw/zinc/34/27/69/194342769.db2.gz GGQYPMPDSMKMIW-HFAKWTLXSA-N -1 1 292.335 1.196 20 0 CDADMM COC[C@H](NC(=O)c1ccc(Cl)cc1[O-])[C@H]1CCCO1 ZINC000279339695 194391646 /nfs/dbraw/zinc/39/16/46/194391646.db2.gz DRWJIWWUKYIASF-WCQYABFASA-N -1 1 299.754 1.969 20 0 CDADMM Cc1ccc(F)c(Cn2ccnc2-c2nnn[n-]2)c1F ZINC001581205087 1172593315 /nfs/dbraw/zinc/59/33/15/1172593315.db2.gz UMHWZAPCVLCHBC-UHFFFAOYSA-N -1 1 276.250 1.698 20 0 CDADMM Cc1ccc(F)c(Cn2ccnc2-c2nn[n-]n2)c1F ZINC001581205087 1172593319 /nfs/dbraw/zinc/59/33/19/1172593319.db2.gz UMHWZAPCVLCHBC-UHFFFAOYSA-N -1 1 276.250 1.698 20 0 CDADMM CC[C@@](C)(CNC(=O)c1csc(=NC2CC2)[n-]1)OC ZINC000452715451 252148384 /nfs/dbraw/zinc/14/83/84/252148384.db2.gz AJDXYMILMYNBOU-ZDUSSCGKSA-N -1 1 283.397 1.684 20 0 CDADMM O=C(/C=C/C1CCOCC1)NC1(c2nn[n-]n2)CCCC1 ZINC000491849941 253104458 /nfs/dbraw/zinc/10/44/58/253104458.db2.gz WZZDLZNRCAOMBZ-ONEGZZNKSA-N -1 1 291.355 1.068 20 0 CDADMM Cc1ccc(C=CC(=O)NC(C)(C)c2nn[n-]n2)o1 ZINC000491947390 253125311 /nfs/dbraw/zinc/12/53/11/253125311.db2.gz YGQPRLJYPIXCSZ-SREVYHEPSA-N -1 1 261.285 1.166 20 0 CDADMM CC=C(C=CC(=O)N(C)C[C@H](C)c1nn[n-]n1)CC ZINC000492691825 253274325 /nfs/dbraw/zinc/27/43/25/253274325.db2.gz XVXFKZLOVKYCNY-WLLNLDDWSA-N -1 1 263.345 1.674 20 0 CDADMM CC(C)c1nnc([C@H]2CCCCN2Cc2nc(=O)[n-][nH]2)[nH]1 ZINC000289370667 197316589 /nfs/dbraw/zinc/31/65/89/197316589.db2.gz ASBPBXCVRDOGSZ-SECBINFHSA-N -1 1 291.359 1.067 20 0 CDADMM CCCCCC[N-]S(=O)(=O)c1c(C)onc1N ZINC000281179869 195138068 /nfs/dbraw/zinc/13/80/68/195138068.db2.gz NJDWVRFFCJPYPZ-UHFFFAOYSA-N -1 1 261.347 1.424 20 0 CDADMM COC(=O)C[C@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000281205705 195148506 /nfs/dbraw/zinc/14/85/06/195148506.db2.gz QCMRFZQEYJKOFI-LURJTMIESA-N -1 1 273.235 1.352 20 0 CDADMM C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)C(=O)OC(C)(C)C ZINC000288296856 197046635 /nfs/dbraw/zinc/04/66/35/197046635.db2.gz TWMUTKWCFAHIQC-VIFPVBQESA-N -1 1 293.319 1.421 20 0 CDADMM CC(C)OCCS(=O)(=O)[N-]c1ccccc1F ZINC000080782543 177705909 /nfs/dbraw/zinc/70/59/09/177705909.db2.gz YIXMWHYHOJUNMS-UHFFFAOYSA-N -1 1 261.318 1.992 20 0 CDADMM COCC[C@H](CO)NC(=O)c1cc2ccccc2cc1[O-] ZINC000281806352 195389814 /nfs/dbraw/zinc/38/98/14/195389814.db2.gz WNJLGZXOFYCXIH-CYBMUJFWSA-N -1 1 289.331 1.673 20 0 CDADMM C[C@@]1(CCCO)CCCN1C(=O)c1cccc2nn[nH]c21 ZINC000525870968 390987391 /nfs/dbraw/zinc/98/73/91/390987391.db2.gz VMNCYNXCCPLICN-HNNXBMFYSA-N -1 1 288.351 1.725 20 0 CDADMM C[C@H](CNc1nc2[nH][n-]cc-2c(=O)n1)CC(F)(F)F ZINC000413541786 391093613 /nfs/dbraw/zinc/09/36/13/391093613.db2.gz WEWMHSVKRLNAHT-YFKPBYRVSA-N -1 1 275.234 1.432 20 0 CDADMM O=C(Nc1ccncc1[O-])c1cc(-n2cccn2)ccn1 ZINC000345368172 391159399 /nfs/dbraw/zinc/15/93/99/391159399.db2.gz BSQFZPLSXMEVIB-UHFFFAOYSA-N -1 1 281.275 1.042 20 0 CDADMM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)[C@H]1CCOC1 ZINC000266152985 391170020 /nfs/dbraw/zinc/17/00/20/391170020.db2.gz FZFCEUQLPOEBDY-IUCAKERBSA-N -1 1 291.319 1.668 20 0 CDADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2nnc(C)n2C)c1 ZINC000345384377 391168932 /nfs/dbraw/zinc/16/89/32/391168932.db2.gz VGEJSGHEYKGVJZ-UHFFFAOYSA-N -1 1 289.295 1.040 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)c2cncc(CC)c2)n1 ZINC000415648826 391187796 /nfs/dbraw/zinc/18/77/96/391187796.db2.gz PEBANKCUCZKFKJ-UHFFFAOYSA-N -1 1 288.307 1.796 20 0 CDADMM CCOC(=O)c1cnc(NC(=O)[C@H]2CCC[C@H](OC)C2)[n-]1 ZINC000415649648 391188465 /nfs/dbraw/zinc/18/84/65/391188465.db2.gz QPNJVDRABAICLP-UWVGGRQHSA-N -1 1 295.339 1.730 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H]2CCC[C@H](OC)C2)n1 ZINC000415649648 391188468 /nfs/dbraw/zinc/18/84/68/391188468.db2.gz QPNJVDRABAICLP-UWVGGRQHSA-N -1 1 295.339 1.730 20 0 CDADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1C[C@H]1CC(C)C ZINC000416252514 391239522 /nfs/dbraw/zinc/23/95/22/391239522.db2.gz PDDWDWGHRALPPL-HTQZYQBOSA-N -1 1 281.312 1.061 20 0 CDADMM C[C@@H](c1cccnc1)N1CCC(c2n[n-]c(=N)o2)CC1 ZINC000639726288 391302659 /nfs/dbraw/zinc/30/26/59/391302659.db2.gz UJSCMUNGEZKJLD-JTQLQIEISA-N -1 1 273.340 1.818 20 0 CDADMM CCC(=O)C1(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)CC1 ZINC000425304261 391362148 /nfs/dbraw/zinc/36/21/48/391362148.db2.gz PWMRZUDSHOONNG-SECBINFHSA-N -1 1 293.323 1.241 20 0 CDADMM C[C@@H](COc1ccccc1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000430315929 391365255 /nfs/dbraw/zinc/36/52/55/391365255.db2.gz FYJFOMAUKKKMIQ-JTQLQIEISA-N -1 1 287.323 1.020 20 0 CDADMM CCC[C@H](OC)C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425311658 391368573 /nfs/dbraw/zinc/36/85/73/391368573.db2.gz YCUICXPSEYZUSD-ZJUUUORDSA-N -1 1 283.328 1.296 20 0 CDADMM O=C(Nc1ccncc1[O-])c1cn(Cc2ccccc2)nn1 ZINC000109889019 391394698 /nfs/dbraw/zinc/39/46/98/391394698.db2.gz KVKHGVODXXATMR-UHFFFAOYSA-N -1 1 295.302 1.679 20 0 CDADMM CCC[C@@H](NC(=O)C=Cc1cncs1)c1nn[n-]n1 ZINC000281914528 391425691 /nfs/dbraw/zinc/42/56/91/391425691.db2.gz JACNNKBMDGKLPJ-XNPJLODASA-N -1 1 278.341 1.327 20 0 CDADMM CC[C@@H](CNC(=O)c1cnn[nH]1)CC(F)(F)F ZINC000402342319 391426169 /nfs/dbraw/zinc/42/61/69/391426169.db2.gz PPHAELITXBZRAS-ZCFIWIBFSA-N -1 1 250.224 1.513 20 0 CDADMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])C(=O)NCCF ZINC000281940325 391431942 /nfs/dbraw/zinc/43/19/42/391431942.db2.gz HWXRKZIHUFFCOF-ZETCQYMHSA-N -1 1 288.706 1.250 20 0 CDADMM CO[N-]C(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000527823280 391522657 /nfs/dbraw/zinc/52/26/57/391522657.db2.gz UKXQSBNBJMYZMD-LBPRGKRZSA-N -1 1 268.744 1.982 20 0 CDADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)C[C@@H](C)O)c(F)c1 ZINC000425173143 391623891 /nfs/dbraw/zinc/62/38/91/391623891.db2.gz VLVKCCZXDLQJAS-DTWKUNHWSA-N -1 1 293.335 1.711 20 0 CDADMM O=S(=O)(CCF)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000520214978 391747809 /nfs/dbraw/zinc/74/78/09/391747809.db2.gz XBQRKSRQYQJFBR-UHFFFAOYSA-N -1 1 272.276 1.959 20 0 CDADMM O=S(=O)(CCF)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000520214978 391747813 /nfs/dbraw/zinc/74/78/13/391747813.db2.gz XBQRKSRQYQJFBR-UHFFFAOYSA-N -1 1 272.276 1.959 20 0 CDADMM CC(C)(NC(=O)[C@@H]1CCC[C@H](F)C1)c1nn[n-]n1 ZINC000424700326 391736226 /nfs/dbraw/zinc/73/62/26/391736226.db2.gz WMQFRIHUPBHXLD-SFYZADRCSA-N -1 1 255.297 1.079 20 0 CDADMM Cc1nn(C(C)(C)C)cc1C(=O)Nc1c(C)[n-][nH]c1=O ZINC000647815546 391803737 /nfs/dbraw/zinc/80/37/37/391803737.db2.gz AZIPWPGOOTWBOJ-UHFFFAOYSA-N -1 1 277.328 1.936 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@](C)(O)Cc1ccccc1 ZINC000647816232 391804856 /nfs/dbraw/zinc/80/48/56/391804856.db2.gz BJTROUDHKBXKDC-AWEZNQCLSA-N 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UPYOPYQHFPYKSR-UHFFFAOYSA-N -1 1 279.296 1.717 20 0 CDADMM CCC[C@H](OC)C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000648894503 392158344 /nfs/dbraw/zinc/15/83/44/392158344.db2.gz RJYLBTDHCLBIJM-RYUDHWBXSA-N -1 1 289.339 1.220 20 0 CDADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)cn1 ZINC000430979373 392134361 /nfs/dbraw/zinc/13/43/61/392134361.db2.gz OIWNXOFUHIXGQO-UHFFFAOYSA-N -1 1 289.320 1.462 20 0 CDADMM CC(C)O[C@H]1C[C@@H](NC(=O)c2cncc([O-])c2)C1 ZINC000457867155 392269866 /nfs/dbraw/zinc/26/98/66/392269866.db2.gz HXNHDBRLNNPCOE-KLPPZKSPSA-N -1 1 250.298 1.473 20 0 CDADMM CCc1ccccc1CC(=O)NC(C)(C)c1nn[n-]n1 ZINC000442668223 392283743 /nfs/dbraw/zinc/28/37/43/392283743.db2.gz CUVYPSXHMBVQME-UHFFFAOYSA-N -1 1 273.340 1.356 20 0 CDADMM COCCC1(C(=O)Nc2c(C)[n-][nH]c2=O)CCC1 ZINC000646410490 392419883 /nfs/dbraw/zinc/41/98/83/392419883.db2.gz KESHZQDWYJZSTM-UHFFFAOYSA-N -1 1 253.302 1.569 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)COc1cccc(C)c1 ZINC000646411562 392421515 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O=S(=O)([N-]CC1(CO)CCC1)c1sccc1Cl ZINC000451392507 393251689 /nfs/dbraw/zinc/25/16/89/393251689.db2.gz HQBMNFBBOASFDU-UHFFFAOYSA-N -1 1 295.813 1.842 20 0 CDADMM O=S(=O)([N-]CCC1(CO)CC1)c1sccc1Cl ZINC000451940580 393406391 /nfs/dbraw/zinc/40/63/91/393406391.db2.gz VAURFCYSXVWEPH-UHFFFAOYSA-N -1 1 295.813 1.842 20 0 CDADMM CCC[C@@H](NC(=O)CSC(C)C)c1nn[n-]n1 ZINC000531570920 397601445 /nfs/dbraw/zinc/60/14/45/397601445.db2.gz SMCJGLCGJRNTHF-MRVPVSSYSA-N -1 1 257.363 1.299 20 0 CDADMM O=C([O-])c1ccc(C(=O)N[C@H]2CCCc3cn[nH]c32)nc1 ZINC000649455185 397730893 /nfs/dbraw/zinc/73/08/93/397730893.db2.gz JPJPIAUDOKVXQE-JTQLQIEISA-N -1 1 286.291 1.310 20 0 CDADMM CC(C)c1nc(=NC[C@]2(N(C)C)CCSC2)s[n-]1 ZINC000530929878 397810809 /nfs/dbraw/zinc/81/08/09/397810809.db2.gz UMMDNQJSEHNFCF-GFCCVEGCSA-N -1 1 286.470 1.933 20 0 CDADMM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCc2ccc(F)cc21 ZINC000649893987 398026229 /nfs/dbraw/zinc/02/62/29/398026229.db2.gz AALFAPYQCCKZJC-SECBINFHSA-N -1 1 276.315 1.811 20 0 CDADMM C[C@H](CN(C)C(=O)c1ccc(F)cc1F)c1nn[n-]n1 ZINC000095243359 147110552 /nfs/dbraw/zinc/11/05/52/147110552.db2.gz FPTWVDHQWSRSIA-SSDOTTSWSA-N -1 1 281.266 1.354 20 0 CDADMM O=C(Nc1nn[n-]n1)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000102895062 147162336 /nfs/dbraw/zinc/16/23/36/147162336.db2.gz QXBRCXBYTWLLCB-UHFFFAOYSA-N -1 1 294.221 1.535 20 0 CDADMM O=C([O-])c1ccc(CNC(=O)c2ccc3[nH]nnc3c2)cc1 ZINC000115661537 147267127 /nfs/dbraw/zinc/26/71/27/147267127.db2.gz ALWFNBUBFCKLSC-UHFFFAOYSA-N -1 1 296.286 1.586 20 0 CDADMM Cc1cccc(OCC(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1 ZINC000183431943 148301811 /nfs/dbraw/zinc/30/18/11/148301811.db2.gz VRZRZJZDEQQQTG-LLVKDONJSA-N -1 1 289.339 1.149 20 0 CDADMM CCC[C@H](NCC(=O)NCCC(C)(C)C)C(=O)[O-] ZINC000185061677 148384442 /nfs/dbraw/zinc/38/44/42/148384442.db2.gz QBDDXZDHQGTPKA-JTQLQIEISA-N -1 1 258.362 1.382 20 0 CDADMM CC(C)(NC(=O)c1cccn1C1CCCC1)c1nn[n-]n1 ZINC000352477734 155213839 /nfs/dbraw/zinc/21/38/39/155213839.db2.gz OKTJCLPDCFLCJL-UHFFFAOYSA-N -1 1 288.355 1.781 20 0 CDADMM CCC[C@@H](NCC(=O)NCc1ccc(CC)s1)C(=O)[O-] ZINC000262261890 149042286 /nfs/dbraw/zinc/04/22/86/149042286.db2.gz GKYYTOZOCULOKX-GFCCVEGCSA-N -1 1 298.408 1.770 20 0 CDADMM Cc1cccc2nc(CN3CC[C@H](C(=O)[O-])C3)cn21 ZINC000262648225 149089592 /nfs/dbraw/zinc/08/95/92/149089592.db2.gz KPLGXTPSCMTZQS-NSHDSACASA-N -1 1 259.309 1.549 20 0 CDADMM CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)COC1 ZINC000335073035 150261549 /nfs/dbraw/zinc/26/15/49/150261549.db2.gz FOPJCDCVBHGQAF-UHFFFAOYSA-N -1 1 293.747 1.794 20 0 CDADMM CN1CCN(C(=O)c2csc(=O)[nH]2)C2(CCCCC2)C1 ZINC000335831660 151057361 /nfs/dbraw/zinc/05/73/61/151057361.db2.gz CNXJTUBKMSVELM-UHFFFAOYSA-N -1 1 295.408 1.939 20 0 CDADMM COCc1nc(=NC[C@@H]2CCOC[C@H]2C)s[n-]1 ZINC000343505581 152205326 /nfs/dbraw/zinc/20/53/26/152205326.db2.gz JZEGKZGOGPBIMZ-BDAKNGLRSA-N -1 1 257.359 1.191 20 0 CDADMM C[C@@H]1[C@@H](N=c2nc(C3CC3)[n-]s2)CCCN1C ZINC000343549919 152220605 /nfs/dbraw/zinc/22/06/05/152220605.db2.gz VELPXCISBVVQJJ-SCZZXKLOSA-N -1 1 252.387 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ATGOKLQWQOTNSQ-NSHDSACASA-N -1 1 286.335 1.541 20 0 CDADMM COc1ccccc1[C@@H]1C[C@H]1Nc1nc2[nH][n-]cc-2c(=O)n1 ZINC000664478521 413426031 /nfs/dbraw/zinc/42/60/31/413426031.db2.gz KRBSIODXMGPQEG-GXSJLCMTSA-N -1 1 297.318 1.409 20 0 CDADMM CCCN(CC(C)(C)O)C(=O)c1cncc([O-])c1 ZINC000284218963 196005875 /nfs/dbraw/zinc/00/58/75/196005875.db2.gz DDQMRMLSUCTXMU-UHFFFAOYSA-N -1 1 252.314 1.410 20 0 CDADMM NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000020295306 171134921 /nfs/dbraw/zinc/13/49/21/171134921.db2.gz WIEREBBERNXYKE-SECBINFHSA-N -1 1 268.700 1.136 20 0 CDADMM CO[C@H](CNc1nc2[nH][n-]cc-2c(=O)n1)C1CCCC1 ZINC000664561152 413494930 /nfs/dbraw/zinc/49/49/30/413494930.db2.gz VIEGEQRYXYLVBW-SNVBAGLBSA-N -1 1 277.328 1.049 20 0 CDADMM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc2c(cc[nH]c2=O)c1 ZINC000656633644 413500510 /nfs/dbraw/zinc/50/05/10/413500510.db2.gz FBEAQLKBJQHJCK-VIFPVBQESA-N -1 1 296.348 1.305 20 0 CDADMM Cc1ccc([C@@H](CNC(=O)CNC(=O)[O-])N2CCCC2)o1 ZINC000285497232 196304965 /nfs/dbraw/zinc/30/49/65/196304965.db2.gz ABYRPHVNTFZNBG-LLVKDONJSA-N -1 1 295.339 1.109 20 0 CDADMM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2F)CO1 ZINC000657042478 413872743 /nfs/dbraw/zinc/87/27/43/413872743.db2.gz VGZBADNYSXQPSC-SECBINFHSA-N -1 1 291.319 1.811 20 0 CDADMM CC[N@H+]1CCN(C(=O)c2cc(=O)[nH]c(C3CC3)n2)C[C@H]1C ZINC000654953673 413838367 /nfs/dbraw/zinc/83/83/67/413838367.db2.gz DKLWIBUFHRSVHF-SNVBAGLBSA-N -1 1 290.367 1.226 20 0 CDADMM Cc1cc(F)c(S(=O)(=O)[N-]C/C=C\CO)c(F)c1 ZINC000657086529 413921274 /nfs/dbraw/zinc/92/12/74/413921274.db2.gz YESZJYYKMJENAM-IHWYPQMZSA-N -1 1 277.292 1.100 20 0 CDADMM CC[C@@H](C)CC[N-]S(=O)(=O)c1c(C)onc1N ZINC000657080821 413898074 /nfs/dbraw/zinc/89/80/74/413898074.db2.gz FSKXWHDGWIYNSY-SSDOTTSWSA-N -1 1 261.347 1.280 20 0 CDADMM O=C([O-])[C@@H](CNC(=O)[C@@H]1CCCc2[nH]ncc21)C1CCC1 ZINC000663154981 414008872 /nfs/dbraw/zinc/00/88/72/414008872.db2.gz PWKJLEICVBAJNA-MNOVXSKESA-N -1 1 291.351 1.447 20 0 CDADMM O=C([O-])[C@@]1(NCc2ccc(F)c(F)c2F)CCOC1 ZINC000663259641 414092451 /nfs/dbraw/zinc/09/24/51/414092451.db2.gz FYQQCPHAHFIOHW-GFCCVEGCSA-N -1 1 275.226 1.437 20 0 CDADMM CC[C@H](CC(F)F)CN1CCO[C@@H](C(=O)[O-])C1 ZINC000659789311 414115661 /nfs/dbraw/zinc/11/56/61/414115661.db2.gz RCVMMJMZGBHZEZ-RKDXNWHRSA-N -1 1 251.273 1.453 20 0 CDADMM C1=CC[C@@H](CCNc2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001588389695 1173059928 /nfs/dbraw/zinc/05/99/28/1173059928.db2.gz XWNDDYUYEHQZHU-SNVBAGLBSA-N -1 1 271.328 1.815 20 0 CDADMM C1=CC[C@@H](CCNc2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001588389695 1173059935 /nfs/dbraw/zinc/05/99/35/1173059935.db2.gz XWNDDYUYEHQZHU-SNVBAGLBSA-N -1 1 271.328 1.815 20 0 CDADMM C1=CC[C@H](CCNc2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001588389694 1173060127 /nfs/dbraw/zinc/06/01/27/1173060127.db2.gz XWNDDYUYEHQZHU-JTQLQIEISA-N -1 1 271.328 1.815 20 0 CDADMM COC(=O)Cn1cc(NC(=O)c2ccccc2[O-])cn1 ZINC000038030363 174022209 /nfs/dbraw/zinc/02/22/09/174022209.db2.gz LINHANRJLAOHAL-UHFFFAOYSA-N -1 1 275.264 1.014 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KLBXILWNOAMQHG-UHTWSYAYSA-N -1 1 293.319 1.508 20 0 CDADMM CCC(CC)(CC(=O)[O-])[NH2+]Cc1nc(C)cc(=O)[n-]1 ZINC000828804311 602317618 /nfs/dbraw/zinc/31/76/18/602317618.db2.gz KRALEISGBZXZHU-UHFFFAOYSA-N -1 1 267.329 1.614 20 0 CDADMM CCCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825291179 607571613 /nfs/dbraw/zinc/57/16/13/607571613.db2.gz NKRIROBWHSAJPJ-UHFFFAOYSA-N -1 1 299.331 1.084 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCCS1 ZINC000826467049 607611384 /nfs/dbraw/zinc/61/13/84/607611384.db2.gz FEMQAMDYFUAMPH-SNVBAGLBSA-N -1 1 291.336 1.201 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCCS1 ZINC000826467049 607611385 /nfs/dbraw/zinc/61/13/85/607611385.db2.gz FEMQAMDYFUAMPH-SNVBAGLBSA-N -1 1 291.336 1.201 20 0 CDADMM Cc1cc(S(=O)(=O)[N-]C[C@H](O)CC(C)C)sn1 ZINC000866837720 617180743 /nfs/dbraw/zinc/18/07/43/617180743.db2.gz CXQHGJFEAPJSCE-SECBINFHSA-N -1 1 278.399 1.137 20 0 CDADMM Cc1ncsc1CCN(C)[C@H](COC(C)C)C(=O)[O-] ZINC000833010870 604405562 /nfs/dbraw/zinc/40/55/62/604405562.db2.gz YTZBDRJJUVQKHW-LLVKDONJSA-N -1 1 286.397 1.804 20 0 CDADMM CC(C)(CC(=O)[O-])NCc1nnnn1Cc1ccccc1 ZINC000826542252 604440757 /nfs/dbraw/zinc/44/07/57/604440757.db2.gz PBHFHRWOJVGKPR-UHFFFAOYSA-N -1 1 289.339 1.064 20 0 CDADMM C[C@@H]1CN(C(=O)c2cccc(NC(=O)[O-])c2)[C@H](C)CN1C ZINC000833624737 604579729 /nfs/dbraw/zinc/57/97/29/604579729.db2.gz VYIQOYHECRTNQV-GHMZBOCLSA-N -1 1 291.351 1.941 20 0 CDADMM O=C([O-])c1cc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)c[nH]1 ZINC000833780151 604638592 /nfs/dbraw/zinc/63/85/92/604638592.db2.gz RWGKITPAEVSACQ-VHSXEESVSA-N -1 1 292.257 1.601 20 0 CDADMM CCn1cc(CN2CCSC[C@H]2CC(=O)[O-])cn1 ZINC000091130648 604656769 /nfs/dbraw/zinc/65/67/69/604656769.db2.gz LUAZREUHRANARZ-LLVKDONJSA-N -1 1 269.370 1.295 20 0 CDADMM C[C@@H](CN(CC(=O)Nc1nccs1)C1CC1)C(=O)[O-] ZINC000071735718 604744317 /nfs/dbraw/zinc/74/43/17/604744317.db2.gz ZCDFJKRVINITLL-QMMMGPOBSA-N -1 1 283.353 1.267 20 0 CDADMM CC(C)c1noc(CNC2(CC(=O)[O-])CCOCC2)n1 ZINC000827180128 604789860 /nfs/dbraw/zinc/78/98/60/604789860.db2.gz KAXLBMGSFAWHFX-UHFFFAOYSA-N -1 1 283.328 1.307 20 0 CDADMM CC[C@@H](C)[C@H](NC(=O)CN1CCC2(CC2)CC1)C(=O)[O-] ZINC000833638283 604932086 /nfs/dbraw/zinc/93/20/86/604932086.db2.gz IBJWMXIJPYFVPG-YPMHNXCESA-N -1 1 282.384 1.478 20 0 CDADMM Cn1ncnc1CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000135035749 604948558 /nfs/dbraw/zinc/94/85/58/604948558.db2.gz OEOHCYLNURWBQU-SNVBAGLBSA-N -1 1 266.345 1.138 20 0 CDADMM Cc1nc(C)c(F)c(N2CCN(CCC(=O)[O-])C[C@@H]2C)n1 ZINC000833754781 605050175 /nfs/dbraw/zinc/05/01/75/605050175.db2.gz IBABBNOSCJEHBU-VIFPVBQESA-N -1 1 296.346 1.218 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCC(C)(C)C1 ZINC000833621182 605093181 /nfs/dbraw/zinc/09/31/81/605093181.db2.gz MNSXOXBUQOGDLE-STQMWFEESA-N -1 1 296.411 1.820 20 0 CDADMM CC(C)[C@@H]1CN(C)CCN1C(=O)c1cncc(C(=O)[O-])c1 ZINC000833471948 605112515 /nfs/dbraw/zinc/11/25/15/605112515.db2.gz RVVGUFNOFDZKHE-ZDUSSCGKSA-N -1 1 291.351 1.192 20 0 CDADMM CCN(Cn1nc(C(=O)[O-])cc1C(=O)OC)[C@@H](C)C(C)C ZINC000833655019 605121711 /nfs/dbraw/zinc/12/17/11/605121711.db2.gz STEJRPCBLJYKIP-JTQLQIEISA-N -1 1 297.355 1.692 20 0 CDADMM CC(C)[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000824137437 605124581 /nfs/dbraw/zinc/12/45/81/605124581.db2.gz RLDFJYGGQVKTKA-NXEZZACHSA-N -1 1 280.328 1.196 20 0 CDADMM Cc1cc(CN2CCOCC[C@H]2C)oc1C(=O)[O-] ZINC000833745472 605206651 /nfs/dbraw/zinc/20/66/51/605206651.db2.gz JWEMGHTXIIDJLC-SNVBAGLBSA-N -1 1 253.298 1.897 20 0 CDADMM C[C@H]1CN(C(=O)C[C@H]2C=CCC2)CCN1CCC(=O)[O-] ZINC000833618631 605251612 /nfs/dbraw/zinc/25/16/12/605251612.db2.gz PRZYATJUOZYCHX-STQMWFEESA-N -1 1 280.368 1.350 20 0 CDADMM C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CCN1CCC(=O)[O-] ZINC000833620975 605252164 /nfs/dbraw/zinc/25/21/64/605252164.db2.gz YTFSUIJZLBZIDA-CXTNEJHOSA-N -1 1 294.395 1.430 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NCC1CCC=CCC1 ZINC001602749253 1175385764 /nfs/dbraw/zinc/38/57/64/1175385764.db2.gz KBWQVXQPVOOXFY-UHFFFAOYSA-N -1 1 271.328 1.815 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NCC1CCC=CCC1 ZINC001602749253 1175385769 /nfs/dbraw/zinc/38/57/69/1175385769.db2.gz KBWQVXQPVOOXFY-UHFFFAOYSA-N -1 1 271.328 1.815 20 0 CDADMM Cc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])no1 ZINC000822176045 606194957 /nfs/dbraw/zinc/19/49/57/606194957.db2.gz FPMDGMISUDBYLU-UHFFFAOYSA-N -1 1 286.251 1.121 20 0 CDADMM CC(F)(F)CCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820308146 606292459 /nfs/dbraw/zinc/29/24/59/606292459.db2.gz SAXFXXPACZQAFY-UHFFFAOYSA-N -1 1 297.265 1.946 20 0 CDADMM CC(C)[C@H]1OCC[C@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC000820047238 606472041 /nfs/dbraw/zinc/47/20/41/606472041.db2.gz WRWADTRFIWDSIS-GXFFZTMASA-N -1 1 288.355 1.735 20 0 CDADMM CC(C)[C@H]1OCC[C@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC000820047238 606472043 /nfs/dbraw/zinc/47/20/43/606472043.db2.gz WRWADTRFIWDSIS-GXFFZTMASA-N -1 1 288.355 1.735 20 0 CDADMM CC(C)[C@@H]1OCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC000820046579 606472058 /nfs/dbraw/zinc/47/20/58/606472058.db2.gz SEYZMOGVUOTVNO-ONGXEEELSA-N -1 1 289.343 1.130 20 0 CDADMM CC(C)[C@@H]1OCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC000820046579 606472060 /nfs/dbraw/zinc/47/20/60/606472060.db2.gz SEYZMOGVUOTVNO-ONGXEEELSA-N -1 1 289.343 1.130 20 0 CDADMM COCC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821685415 606544036 /nfs/dbraw/zinc/54/40/36/606544036.db2.gz CLMWGPKNAUTDCT-SSDOTTSWSA-N -1 1 281.341 1.083 20 0 CDADMM COCC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821685415 606544037 /nfs/dbraw/zinc/54/40/37/606544037.db2.gz CLMWGPKNAUTDCT-SSDOTTSWSA-N -1 1 281.341 1.083 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)CCCO1 ZINC000820740931 606547133 /nfs/dbraw/zinc/54/71/33/606547133.db2.gz AQEYDWLLDCRGAB-QMMMGPOBSA-N -1 1 293.352 1.179 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CCCO1 ZINC000820740931 606547135 /nfs/dbraw/zinc/54/71/35/606547135.db2.gz AQEYDWLLDCRGAB-QMMMGPOBSA-N -1 1 293.352 1.179 20 0 CDADMM Fc1cccc(Sc2nccnc2-c2nn[n-]n2)c1 ZINC000822791863 606594088 /nfs/dbraw/zinc/59/40/88/606594088.db2.gz LWCDHJORCRBTDY-UHFFFAOYSA-N -1 1 274.284 1.947 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccsc1 ZINC000823436518 606649167 /nfs/dbraw/zinc/64/91/67/606649167.db2.gz ZCNDRYADGXCQQH-UHFFFAOYSA-N -1 1 287.304 1.680 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccsc1 ZINC000823436518 606649168 /nfs/dbraw/zinc/64/91/68/606649168.db2.gz ZCNDRYADGXCQQH-UHFFFAOYSA-N -1 1 287.304 1.680 20 0 CDADMM Cc1ccc(NC(=O)Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000822248952 606655161 /nfs/dbraw/zinc/65/51/61/606655161.db2.gz VYIVISJEYNYTQS-UHFFFAOYSA-N -1 1 283.295 1.010 20 0 CDADMM Cc1ccc(NC(=O)Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000822248952 606655162 /nfs/dbraw/zinc/65/51/62/606655162.db2.gz VYIVISJEYNYTQS-UHFFFAOYSA-N -1 1 283.295 1.010 20 0 CDADMM C[C@@H](CCCO)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820242174 606732698 /nfs/dbraw/zinc/73/26/98/606732698.db2.gz LKVNYYNYFRZVTB-ZETCQYMHSA-N -1 1 282.735 1.488 20 0 CDADMM C[C@@H](CCCO)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820242174 606732699 /nfs/dbraw/zinc/73/26/99/606732699.db2.gz LKVNYYNYFRZVTB-ZETCQYMHSA-N -1 1 282.735 1.488 20 0 CDADMM CC[C@@H](C)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820860803 606752056 /nfs/dbraw/zinc/75/20/56/606752056.db2.gz KSJFNBIELDBRPZ-MRVPVSSYSA-N -1 1 289.295 1.034 20 0 CDADMM CC[C@@H](C)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820860803 606752058 /nfs/dbraw/zinc/75/20/58/606752058.db2.gz KSJFNBIELDBRPZ-MRVPVSSYSA-N -1 1 289.295 1.034 20 0 CDADMM COc1cccc(CCNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826216413 607989073 /nfs/dbraw/zinc/98/90/73/607989073.db2.gz XOVIHSUGKMEYOD-UHFFFAOYSA-N -1 1 297.322 1.320 20 0 CDADMM COc1cccc(CCNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826216413 607989074 /nfs/dbraw/zinc/98/90/74/607989074.db2.gz XOVIHSUGKMEYOD-UHFFFAOYSA-N -1 1 297.322 1.320 20 0 CDADMM Cc1cc(C(=O)Cn2ccnc2-c2nnn[n-]2)c(C)s1 ZINC000826257237 608014308 /nfs/dbraw/zinc/01/43/08/608014308.db2.gz UFVORUQRRYUZOP-UHFFFAOYSA-N -1 1 288.336 1.624 20 0 CDADMM Cc1cc(C(=O)Cn2ccnc2-c2nn[n-]n2)c(C)s1 ZINC000826257237 608014309 /nfs/dbraw/zinc/01/43/09/608014309.db2.gz UFVORUQRRYUZOP-UHFFFAOYSA-N -1 1 288.336 1.624 20 0 CDADMM O=C(Nc1c([O-])cccc1F)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826450502 608160609 /nfs/dbraw/zinc/16/06/09/608160609.db2.gz PCVGDVRIJTXBJI-UHFFFAOYSA-N -1 1 288.242 1.292 20 0 CDADMM OCCSc1snc(Cl)c1-c1nnn[n-]1 ZINC000826510331 608169945 /nfs/dbraw/zinc/16/99/45/608169945.db2.gz KOMYZNAFNQKOFK-UHFFFAOYSA-N -1 1 263.735 1.061 20 0 CDADMM OCCSc1snc(Cl)c1-c1nn[n-]n1 ZINC000826510331 608169946 /nfs/dbraw/zinc/16/99/46/608169946.db2.gz KOMYZNAFNQKOFK-UHFFFAOYSA-N -1 1 263.735 1.061 20 0 CDADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C ZINC000824663464 608235863 /nfs/dbraw/zinc/23/58/63/608235863.db2.gz ZPBJCSKCHBVOFJ-QMMMGPOBSA-N -1 1 290.327 1.404 20 0 CDADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC000824663464 608235865 /nfs/dbraw/zinc/23/58/65/608235865.db2.gz ZPBJCSKCHBVOFJ-QMMMGPOBSA-N -1 1 290.327 1.404 20 0 CDADMM Cc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1F ZINC000826291872 608389021 /nfs/dbraw/zinc/38/90/21/608389021.db2.gz ZHJKSEDROMZZRR-UHFFFAOYSA-N -1 1 271.259 1.848 20 0 CDADMM Cc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1F ZINC000826291872 608389023 /nfs/dbraw/zinc/38/90/23/608389023.db2.gz ZHJKSEDROMZZRR-UHFFFAOYSA-N -1 1 271.259 1.848 20 0 CDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC000824426506 608419484 /nfs/dbraw/zinc/41/94/84/608419484.db2.gz GRHNVKSQNYKIIF-QMMMGPOBSA-N -1 1 261.333 1.751 20 0 CDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC000824426506 608419487 /nfs/dbraw/zinc/41/94/87/608419487.db2.gz GRHNVKSQNYKIIF-QMMMGPOBSA-N -1 1 261.333 1.751 20 0 CDADMM CSCCCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826228348 608421734 /nfs/dbraw/zinc/42/17/34/608421734.db2.gz MIBRPULYUZAQAQ-UHFFFAOYSA-N -1 1 265.346 1.212 20 0 CDADMM CSCCCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826228348 608421735 /nfs/dbraw/zinc/42/17/35/608421735.db2.gz MIBRPULYUZAQAQ-UHFFFAOYSA-N -1 1 265.346 1.212 20 0 CDADMM Clc1ncccc1Oc1ccc(-c2nnn[n-]2)nn1 ZINC000826353803 608421793 /nfs/dbraw/zinc/42/17/93/608421793.db2.gz DSFLHBQQRLLYRI-UHFFFAOYSA-N -1 1 275.659 1.497 20 0 CDADMM Clc1ncccc1Oc1ccc(-c2nn[n-]n2)nn1 ZINC000826353803 608421795 /nfs/dbraw/zinc/42/17/95/608421795.db2.gz DSFLHBQQRLLYRI-UHFFFAOYSA-N -1 1 275.659 1.497 20 0 CDADMM c1cc(N2CCC[C@H]3CCC[C@H]32)nnc1-c1nnn[n-]1 ZINC000826517274 608425244 /nfs/dbraw/zinc/42/52/44/608425244.db2.gz WTNFCYOZLXSRLU-MWLCHTKSSA-N -1 1 271.328 1.426 20 0 CDADMM c1cc(N2CCC[C@H]3CCC[C@H]32)nnc1-c1nn[n-]n1 ZINC000826517274 608425245 /nfs/dbraw/zinc/42/52/45/608425245.db2.gz WTNFCYOZLXSRLU-MWLCHTKSSA-N -1 1 271.328 1.426 20 0 CDADMM CC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCO1 ZINC000825148872 608436844 /nfs/dbraw/zinc/43/68/44/608436844.db2.gz UTPLPGAVCAEAFS-WCBMZHEXSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCO1 ZINC000825148872 608436846 /nfs/dbraw/zinc/43/68/46/608436846.db2.gz UTPLPGAVCAEAFS-WCBMZHEXSA-N -1 1 275.316 1.026 20 0 CDADMM O=Cc1ccc(Oc2ccc(-c3nnn[n-]3)nn2)c(F)c1 ZINC000826484233 608438239 /nfs/dbraw/zinc/43/82/39/608438239.db2.gz TYGNTJHLGHUHTM-UHFFFAOYSA-N -1 1 286.226 1.401 20 0 CDADMM O=Cc1ccc(Oc2ccc(-c3nn[n-]n3)nn2)c(F)c1 ZINC000826484233 608438240 /nfs/dbraw/zinc/43/82/40/608438240.db2.gz TYGNTJHLGHUHTM-UHFFFAOYSA-N -1 1 286.226 1.401 20 0 CDADMM c1cn(Cc2nc3ccccc3o2)c(-c2nnn[n-]2)n1 ZINC000826523954 608893539 /nfs/dbraw/zinc/89/35/39/608893539.db2.gz DAPMUKGKQYWGTO-UHFFFAOYSA-N -1 1 267.252 1.253 20 0 CDADMM c1cn(Cc2nc3ccccc3o2)c(-c2nn[n-]n2)n1 ZINC000826523954 608893541 /nfs/dbraw/zinc/89/35/41/608893541.db2.gz DAPMUKGKQYWGTO-UHFFFAOYSA-N -1 1 267.252 1.253 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1Cc1ccc(CF)cc1 ZINC000826501553 609268363 /nfs/dbraw/zinc/26/83/63/609268363.db2.gz VRQYYUCSTMRGHS-UHFFFAOYSA-N -1 1 285.282 1.546 20 0 CDADMM CC(C)CN(CC(C)C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824255385 609426775 /nfs/dbraw/zinc/42/67/75/609426775.db2.gz HUYJYWLPUTYEOV-UHFFFAOYSA-N -1 1 275.360 1.775 20 0 CDADMM CC(C)CN(CC(C)C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824255385 609426776 /nfs/dbraw/zinc/42/67/76/609426776.db2.gz HUYJYWLPUTYEOV-UHFFFAOYSA-N -1 1 275.360 1.775 20 0 CDADMM CO[C@H](C)CN(C)C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000804841371 617346964 /nfs/dbraw/zinc/34/69/64/617346964.db2.gz ZDSWNVVVOIDTOF-SECBINFHSA-N -1 1 281.356 1.721 20 0 CDADMM COCc1nc(NCc2ccccc2OC)cc(=O)[n-]1 ZINC000891437159 617392972 /nfs/dbraw/zinc/39/29/72/617392972.db2.gz QYWSNZIGQLELQL-UHFFFAOYSA-N -1 1 275.308 1.949 20 0 CDADMM CN1CCN(Cc2ncc(Br)cc2[O-])CC1 ZINC000891391146 617381728 /nfs/dbraw/zinc/38/17/28/617381728.db2.gz STNRAZNVJUJVIR-UHFFFAOYSA-N -1 1 286.173 1.297 20 0 CDADMM COCc1nc(N2CCC[C@@H]2C(C)C)cc(=O)[n-]1 ZINC000892007008 617404555 /nfs/dbraw/zinc/40/45/55/617404555.db2.gz BPUYVQCVSBQKRS-SNVBAGLBSA-N -1 1 251.330 1.953 20 0 CDADMM CC(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000947578978 613888715 /nfs/dbraw/zinc/88/87/15/613888715.db2.gz OWGILDDGPPSSJN-GHMZBOCLSA-N -1 1 291.351 1.020 20 0 CDADMM CCC(=O)N1CCC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000975225716 614556086 /nfs/dbraw/zinc/55/60/86/614556086.db2.gz ONBHRHJUWZRWON-NSHDSACASA-N -1 1 291.351 1.166 20 0 CDADMM CSC[C@@H](C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891620954 617508925 /nfs/dbraw/zinc/50/89/25/617508925.db2.gz CQUBLFFPOKLYKL-MRVPVSSYSA-N -1 1 281.381 1.999 20 0 CDADMM CC[C@@H](F)CN1CC([C@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000969500412 615514230 /nfs/dbraw/zinc/51/42/30/615514230.db2.gz OCARIFNZUXNMIE-GZMMTYOYSA-N -1 1 298.362 1.222 20 0 CDADMM COCc1nc(N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc(=O)[n-]1 ZINC000892657810 617565551 /nfs/dbraw/zinc/56/55/51/617565551.db2.gz BOPWAWORZVDBEH-BZHVJNSISA-N -1 1 279.340 1.554 20 0 CDADMM COCc1nc(NC[C@@H](OC)C(C)C)cc(=O)[n-]1 ZINC000892752897 617704015 /nfs/dbraw/zinc/70/40/15/617704015.db2.gz PLCZIPVFHPKBCW-SECBINFHSA-N -1 1 255.318 1.412 20 0 CDADMM CN(C(=O)C1(Cc2ccccc2Cl)CC1)c1nn[n-]n1 ZINC000892954288 617976425 /nfs/dbraw/zinc/97/64/25/617976425.db2.gz HUSVTURROXNRIP-UHFFFAOYSA-N -1 1 291.742 1.839 20 0 CDADMM CCC(CC)(CNC(=O)CN(C)C1CCC1)C(=O)[O-] ZINC000909383339 618041698 /nfs/dbraw/zinc/04/16/98/618041698.db2.gz QXGIVOWLRYLXJW-UHFFFAOYSA-N -1 1 270.373 1.478 20 0 CDADMM COCc1nc(NCC2(CO)CC3(CCC3)C2)cc(=O)[n-]1 ZINC000893563061 618127276 /nfs/dbraw/zinc/12/72/76/618127276.db2.gz IUMFTCMMJRHVTO-UHFFFAOYSA-N -1 1 293.367 1.683 20 0 CDADMM COCc1nc(N2Cc3ccccc3C2)cc(=O)[n-]1 ZINC000892396357 618140161 /nfs/dbraw/zinc/14/01/61/618140161.db2.gz MUSDZKAVJZMXJS-UHFFFAOYSA-N -1 1 257.293 1.849 20 0 CDADMM CC[N@H+]1CCC[C@H](NC(=O)/C=C/c2ccc(C(=O)[O-])o2)C1 ZINC000901956301 618396001 /nfs/dbraw/zinc/39/60/01/618396001.db2.gz BPUYRHVYPWHNNY-IOCXFXADSA-N -1 1 292.335 1.592 20 0 CDADMM C[C@@H](Cc1cnc[nH]1)C(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000901993734 618434370 /nfs/dbraw/zinc/43/43/70/618434370.db2.gz XCNGWGRBZANPPX-QXEWZRGKSA-N -1 1 265.313 1.052 20 0 CDADMM COc1nccnc1CN(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000901993489 618435669 /nfs/dbraw/zinc/43/56/69/618435669.db2.gz LAZKMUMNSDMATA-SECBINFHSA-N -1 1 265.313 1.170 20 0 CDADMM CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1cnc[nH]1)C(=O)[O-] ZINC000902025174 618466503 /nfs/dbraw/zinc/46/65/03/618466503.db2.gz XRNIUHNTEVCQLD-GXSJLCMTSA-N -1 1 267.329 1.061 20 0 CDADMM CC(C)[C@@H](CNC(=O)c1cc2[nH]cnc2cc1F)C(=O)[O-] ZINC000902027046 618470173 /nfs/dbraw/zinc/47/01/73/618470173.db2.gz PLEOGWVIHFCACE-SECBINFHSA-N -1 1 293.298 1.789 20 0 CDADMM CC(C)[C@H](CNC(=O)c1cccc2nc[nH]c21)C(=O)[O-] ZINC000902027057 618471667 /nfs/dbraw/zinc/47/16/67/618471667.db2.gz PZDRWZHFMBSDAY-JTQLQIEISA-N -1 1 275.308 1.650 20 0 CDADMM CCN(C(=O)CN(C)CCc1ccccc1)[C@H](C)C(=O)[O-] ZINC000902049101 618517857 /nfs/dbraw/zinc/51/78/57/618517857.db2.gz XEPHVHKAQYRHGB-CYBMUJFWSA-N -1 1 292.379 1.483 20 0 CDADMM COCc1nc(NC[C@@H]2C[C@@H](C)O[C@@H]2C)cc(=O)[n-]1 ZINC000894197912 618689697 /nfs/dbraw/zinc/68/96/97/618689697.db2.gz RUZZLFKRHGMDQZ-BBBLOLIVSA-N -1 1 267.329 1.554 20 0 CDADMM COCc1nc(N2CC(C)(C)C[C@@H]2C)cc(=O)[n-]1 ZINC000894206149 618706362 /nfs/dbraw/zinc/70/63/62/618706362.db2.gz TWQDFXGYHYHSCL-VIFPVBQESA-N -1 1 251.330 1.953 20 0 CDADMM CN(CC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-])C1CCC1 ZINC000909534995 620190894 /nfs/dbraw/zinc/19/08/94/620190894.db2.gz VAFLVFJBBHRAFJ-WFASDCNBSA-N -1 1 282.384 1.620 20 0 CDADMM COCC1(CC(=O)[N-]OCc2ccccn2)CC1 ZINC000909545161 620279095 /nfs/dbraw/zinc/27/90/95/620279095.db2.gz ZUYKHODHZUHARZ-UHFFFAOYSA-N -1 1 250.298 1.446 20 0 CDADMM C[C@@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1)C1CCC1 ZINC000909549850 620282442 /nfs/dbraw/zinc/28/24/42/620282442.db2.gz VTKFKGISNRXXMC-PWSUYJOCSA-N -1 1 268.357 1.088 20 0 CDADMM O=C(C[C@@H]1CCCC(=O)N1)[N-]Oc1ccc(F)cc1 ZINC000898572728 621797723 /nfs/dbraw/zinc/79/77/23/621797723.db2.gz BYJVPUQOVMSBFV-JTQLQIEISA-N -1 1 266.272 1.295 20 0 CDADMM CC(C)CC(C)(C)C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898756352 621860784 /nfs/dbraw/zinc/86/07/84/621860784.db2.gz ICHKEOPKSREIBE-UHFFFAOYSA-N -1 1 267.329 1.576 20 0 CDADMM C[C@H]1CCC(=CC(=O)NCc2nc([O-])cc(=O)[nH]2)C1 ZINC000898756980 621861385 /nfs/dbraw/zinc/86/13/85/621861385.db2.gz NLJRYOYDJZURHC-HXOPTJOXSA-N -1 1 263.297 1.250 20 0 CDADMM CC(C)(C)CCCC(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898754630 621865254 /nfs/dbraw/zinc/86/52/54/621865254.db2.gz XDRGUFQKMHCKHR-UHFFFAOYSA-N -1 1 267.329 1.720 20 0 CDADMM Cc1cccc(CO[N-]C(=O)C[C@H](C)c2cnn(C)c2)n1 ZINC000898931569 621970382 /nfs/dbraw/zinc/97/03/82/621970382.db2.gz UVPMTXYITUEVMN-NSHDSACASA-N -1 1 288.351 1.865 20 0 CDADMM Cc1cc(CC(=O)[N-]OCc2cccc(C)n2)[nH]n1 ZINC000898935529 621973945 /nfs/dbraw/zinc/97/39/45/621973945.db2.gz ZKLGZMFXZSXKGV-UHFFFAOYSA-N -1 1 260.297 1.212 20 0 CDADMM O=C(C(=O)N1CCC[C@H]1c1ncccn1)c1ccc([O-])cc1 ZINC000898970867 622004245 /nfs/dbraw/zinc/00/42/45/622004245.db2.gz NUTQIHTWDUGWKA-ZDUSSCGKSA-N -1 1 297.314 1.729 20 0 CDADMM Cn1cc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cn1 ZINC000900170475 622767077 /nfs/dbraw/zinc/76/70/77/622767077.db2.gz KJQYGEBCPIBPCA-UHFFFAOYSA-N -1 1 259.269 1.045 20 0 CDADMM CCCN(CC(C)(C)O)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900935313 623690495 /nfs/dbraw/zinc/69/04/95/623690495.db2.gz XBIHZVNEAITOHR-UHFFFAOYSA-N -1 1 293.367 1.683 20 0 CDADMM CC[C@H](CCO)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901014901 623803595 /nfs/dbraw/zinc/80/35/95/623803595.db2.gz XKIOGSXLMSDRPN-SECBINFHSA-N -1 1 279.340 1.198 20 0 CDADMM C[C@@H]1N(C(=O)c2cnc(C3CC3)[n-]c2=O)CCOC1(C)C ZINC000901088243 623863110 /nfs/dbraw/zinc/86/31/10/623863110.db2.gz FZWSIMGGXWXMBL-VIFPVBQESA-N -1 1 291.351 1.699 20 0 CDADMM C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCCC[C@H]2C(=O)[O-])C1 ZINC000901496379 624300103 /nfs/dbraw/zinc/30/01/03/624300103.db2.gz VEDIAIRSMCMTFS-JLLWLGSASA-N -1 1 291.351 1.541 20 0 CDADMM O=C([O-])[C@@]1(F)CCN(Cc2cc(-n3ccnc3)cs2)C1 ZINC000901514660 624329527 /nfs/dbraw/zinc/32/95/27/624329527.db2.gz HJXOGCOIWGRBNV-CYBMUJFWSA-N -1 1 295.339 1.932 20 0 CDADMM C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC000901573619 624356309 /nfs/dbraw/zinc/35/63/09/624356309.db2.gz AYBKMANIVJUOIL-XDMRBOTDSA-N -1 1 291.351 1.399 20 0 CDADMM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc2[nH]cnc21 ZINC000901649289 624379054 /nfs/dbraw/zinc/37/90/54/624379054.db2.gz FCOBQGMZZJRGIR-UWVGGRQHSA-N -1 1 287.319 1.888 20 0 CDADMM CS(C)(=O)=NS(=O)(=O)[N-]c1ccc2c(c1)COC2 ZINC000901650477 624391851 /nfs/dbraw/zinc/39/18/51/624391851.db2.gz JOCNICDGGMVPDT-UHFFFAOYSA-N -1 1 290.366 1.101 20 0 CDADMM COCCN(CCC(=O)[O-])Cc1nn(C)c2ccccc12 ZINC000901662980 624398932 /nfs/dbraw/zinc/39/89/32/624398932.db2.gz HZBSMDCNRZNPGW-UHFFFAOYSA-N -1 1 291.351 1.496 20 0 CDADMM C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000901694697 624410810 /nfs/dbraw/zinc/41/08/10/624410810.db2.gz QSQZFIBQNJPVFQ-UMNHJUIQSA-N -1 1 279.340 1.300 20 0 CDADMM O=C([O-])/C=C\c1ccc(CNCCOC[C@@H]2CCCO2)o1 ZINC000902187642 624521169 /nfs/dbraw/zinc/52/11/69/624521169.db2.gz GVOLTCQRKHJUEN-GXMNPTEKSA-N -1 1 295.335 1.663 20 0 CDADMM C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCCC[C@@H]2C(=O)[O-])C1 ZINC000902521652 624924073 /nfs/dbraw/zinc/92/40/73/624924073.db2.gz VEDIAIRSMCMTFS-ZMLRMANQSA-N -1 1 291.351 1.541 20 0 CDADMM C[C@@H]1CCc2n[nH]c(C(=O)NC3CC(C(=O)[O-])C3)c2C1 ZINC000902648020 625134025 /nfs/dbraw/zinc/13/40/25/625134025.db2.gz NUHRXXBDSHBSIB-AFPNSQJFSA-N -1 1 277.324 1.128 20 0 CDADMM CO[C@H](C)CN1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903921512 626147167 /nfs/dbraw/zinc/14/71/67/626147167.db2.gz PKVBRLWWSXLJIF-SNVBAGLBSA-N -1 1 265.309 1.614 20 0 CDADMM CSC[C@@H](O)CN(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000905370117 626788461 /nfs/dbraw/zinc/78/84/61/626788461.db2.gz QYGIMJRLHFQDKT-NWDGAFQWSA-N -1 1 269.366 1.468 20 0 CDADMM COCCS(=O)(=O)[N-]c1c(C)[nH]nc1-c1ccccc1 ZINC000906071590 627110533 /nfs/dbraw/zinc/11/05/33/627110533.db2.gz CMDPOZAWWNSIMC-UHFFFAOYSA-N -1 1 295.364 1.773 20 0 CDADMM CCC[C@@H](CC)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907474916 627673581 /nfs/dbraw/zinc/67/35/81/627673581.db2.gz HZAKRSGDHLVJMO-NXEZZACHSA-N -1 1 283.401 1.643 20 0 CDADMM C[C@@H]1CCC[C@@H]1CC(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907478191 627675295 /nfs/dbraw/zinc/67/52/95/627675295.db2.gz HLYXNKFQJRRDAC-MXWKQRLJSA-N -1 1 295.412 1.643 20 0 CDADMM Cc1cc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)co1 ZINC000907479083 627695667 /nfs/dbraw/zinc/69/56/67/627695667.db2.gz IZLWWYQMGDRSAN-VIFPVBQESA-N -1 1 279.325 1.031 20 0 CDADMM C/C=C(\CC)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907479115 627696044 /nfs/dbraw/zinc/69/60/44/627696044.db2.gz JJZTUKSRYGDBKK-QZGLAHODSA-N -1 1 267.358 1.173 20 0 CDADMM Cc1cc(CC(=O)N2CCc3c2cccc3C(=O)[O-])n[nH]1 ZINC000907982523 627950347 /nfs/dbraw/zinc/95/03/47/627950347.db2.gz KABUODGBGXDCFZ-UHFFFAOYSA-N -1 1 285.303 1.548 20 0 CDADMM Cc1nc(C)c(C(=O)N2CCc3c2cccc3C(=O)[O-])[nH]1 ZINC000907983180 627950396 /nfs/dbraw/zinc/95/03/96/627950396.db2.gz ONMZVNGLAGTSSK-UHFFFAOYSA-N -1 1 285.303 1.928 20 0 CDADMM CCN(CC(C)=O)C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000908390473 628176663 /nfs/dbraw/zinc/17/66/63/628176663.db2.gz VWMBUSYAVPSEMU-UHFFFAOYSA-N -1 1 279.340 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CO[C@H](C)C(=O)NCCc1n[n-]c(=S)n1C(C)C ZINC000067074285 1159943333 /nfs/dbraw/zinc/94/33/33/1159943333.db2.gz NKPBSUDYDJTBBZ-MRVPVSSYSA-N -1 1 272.374 1.215 20 0 CDADMM CCO[C@H]1CCCN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001604411929 1163180483 /nfs/dbraw/zinc/18/04/83/1163180483.db2.gz HZXSDRUCRWPOGM-JTQLQIEISA-N -1 1 291.311 1.101 20 0 CDADMM CCO[C@H]1CCCN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001604411929 1163180486 /nfs/dbraw/zinc/18/04/86/1163180486.db2.gz HZXSDRUCRWPOGM-JTQLQIEISA-N -1 1 291.311 1.101 20 0 CDADMM CC1(C)CN(C(=O)Nc2cccc(F)c2C(=O)[O-])CCN1 ZINC001604540543 1163225221 /nfs/dbraw/zinc/22/52/21/1163225221.db2.gz PRXXZRGHZVBVOW-UHFFFAOYSA-N -1 1 295.314 1.740 20 0 CDADMM C[C@H]1CC[C@H](CN(C)Cc2ccc(C(=O)[O-])cn2)O1 ZINC001604697133 1163286509 /nfs/dbraw/zinc/28/65/09/1163286509.db2.gz ACSXJPHSFPZWGH-GXFFZTMASA-N -1 1 264.325 1.779 20 0 CDADMM CC[C@H](C)[C@@H](NC(=O)CN1C[C@@H]2CCCC[C@@H]21)C(=O)[O-] ZINC001604931180 1163387011 /nfs/dbraw/zinc/38/70/11/1163387011.db2.gz HMMKZBNQHLFJHF-ZJQBRPOHSA-N -1 1 282.384 1.476 20 0 CDADMM COC(=O)c1ccc(N[C@H]2CC23CC3)c(-c2nnn[n-]2)n1 ZINC001604974511 1163402594 /nfs/dbraw/zinc/40/25/94/1163402594.db2.gz JJBICTFIUGNLGR-VIFPVBQESA-N -1 1 286.295 1.013 20 0 CDADMM COC(=O)c1ccc(N[C@H]2CC23CC3)c(-c2nn[n-]n2)n1 ZINC001604974511 1163402600 /nfs/dbraw/zinc/40/26/00/1163402600.db2.gz JJBICTFIUGNLGR-VIFPVBQESA-N -1 1 286.295 1.013 20 0 CDADMM COCC1(C(=O)OCc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001605064876 1163438383 /nfs/dbraw/zinc/43/83/83/1163438383.db2.gz KDMVWQYYIOJKEZ-UHFFFAOYSA-N -1 1 294.336 1.398 20 0 CDADMM COCc1ccc(Cn2ccnc2-c2nnn[n-]2)cc1 ZINC001605134068 1163462462 /nfs/dbraw/zinc/46/24/62/1163462462.db2.gz QIVRUJPQVWNFGY-UHFFFAOYSA-N -1 1 270.296 1.258 20 0 CDADMM COCc1ccc(Cn2ccnc2-c2nn[n-]n2)cc1 ZINC001605134068 1163462464 /nfs/dbraw/zinc/46/24/64/1163462464.db2.gz QIVRUJPQVWNFGY-UHFFFAOYSA-N -1 1 270.296 1.258 20 0 CDADMM COc1cccc2c1CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001605324999 1163524794 /nfs/dbraw/zinc/52/47/94/1163524794.db2.gz MRKIXBOZTPUCAK-UHFFFAOYSA-N -1 1 295.306 1.186 20 0 CDADMM COc1cccc2c1CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001605324999 1163524796 /nfs/dbraw/zinc/52/47/96/1163524796.db2.gz MRKIXBOZTPUCAK-UHFFFAOYSA-N -1 1 295.306 1.186 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCOCC2CC2)c1 ZINC001605555580 1163608499 /nfs/dbraw/zinc/60/84/99/1163608499.db2.gz JYXJDCADAKNXIG-UHFFFAOYSA-N -1 1 288.355 1.433 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCOCC2CC2)c1 ZINC001605555580 1163608503 /nfs/dbraw/zinc/60/85/03/1163608503.db2.gz JYXJDCADAKNXIG-UHFFFAOYSA-N -1 1 288.355 1.433 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)C2CCC2)n1 ZINC001605567283 1163612599 /nfs/dbraw/zinc/61/25/99/1163612599.db2.gz QEKFJURKJDEVAK-QMMMGPOBSA-N -1 1 259.317 1.566 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)C2CCC2)n1 ZINC001605567283 1163612604 /nfs/dbraw/zinc/61/26/04/1163612604.db2.gz QEKFJURKJDEVAK-QMMMGPOBSA-N -1 1 259.317 1.566 20 0 CDADMM CCOC(=O)c1csc(CN[C@@H](C(=O)[O-])C2CC2)n1 ZINC001605580323 1163614564 /nfs/dbraw/zinc/61/45/64/1163614564.db2.gz SFDWUQZKHAYDII-SNVBAGLBSA-N -1 1 284.337 1.273 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@]23C[C@@H]2CCCC3)n1 ZINC001605574409 1163614789 /nfs/dbraw/zinc/61/47/89/1163614789.db2.gz UCYFBAIMFGEDHH-IINYFYTJSA-N -1 1 285.355 1.957 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@]23C[C@@H]2CCCC3)n1 ZINC001605574409 1163614791 /nfs/dbraw/zinc/61/47/91/1163614791.db2.gz UCYFBAIMFGEDHH-IINYFYTJSA-N -1 1 285.355 1.957 20 0 CDADMM Cc1cc(N2CCO[C@H](CCF)C2)cc(-c2nnn[n-]2)n1 ZINC001605700209 1163644438 /nfs/dbraw/zinc/64/44/38/1163644438.db2.gz NDVGZNODOHUCGQ-LLVKDONJSA-N -1 1 292.318 1.135 20 0 CDADMM Cc1cc(N2CCO[C@H](CCF)C2)cc(-c2nn[n-]n2)n1 ZINC001605700209 1163644442 /nfs/dbraw/zinc/64/44/42/1163644442.db2.gz NDVGZNODOHUCGQ-LLVKDONJSA-N -1 1 292.318 1.135 20 0 CDADMM Cc1cc(NCC(C)(C)C[C@H](C)O)nc(-c2nnn[n-]2)c1 ZINC001605724390 1163651329 /nfs/dbraw/zinc/65/13/29/1163651329.db2.gz VZGMBBITDJVFDO-JTQLQIEISA-N -1 1 290.371 1.779 20 0 CDADMM Cc1cc(NCC(C)(C)C[C@H](C)O)nc(-c2nn[n-]n2)c1 ZINC001605724390 1163651331 /nfs/dbraw/zinc/65/13/31/1163651331.db2.gz VZGMBBITDJVFDO-JTQLQIEISA-N -1 1 290.371 1.779 20 0 CDADMM Cc1cc(N[C@@H]2C[C@H]3C[C@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001605722483 1163652175 /nfs/dbraw/zinc/65/21/75/1163652175.db2.gz BDBDOVCRMGAZEW-DOFRTFSJSA-N -1 1 256.313 1.202 20 0 CDADMM Cc1cc(N[C@@H]2C[C@H]3C[C@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001605722483 1163652182 /nfs/dbraw/zinc/65/21/82/1163652182.db2.gz BDBDOVCRMGAZEW-DOFRTFSJSA-N -1 1 256.313 1.202 20 0 CDADMM Cc1cc(NC[C@@H]2CCO[C@@H](C)C2)nc(-c2nnn[n-]2)c1 ZINC001605730589 1163653415 /nfs/dbraw/zinc/65/34/15/1163653415.db2.gz FOIOXRAVKRWKGS-WDEREUQCSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(NC[C@@H]2CCO[C@@H](C)C2)nc(-c2nn[n-]n2)c1 ZINC001605730589 1163653424 /nfs/dbraw/zinc/65/34/24/1163653424.db2.gz FOIOXRAVKRWKGS-WDEREUQCSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H]1CCCOC1 ZINC001605804334 1163677184 /nfs/dbraw/zinc/67/71/84/1163677184.db2.gz JEXCVLLCYNKVRK-SNVBAGLBSA-N -1 1 274.328 1.409 20 0 CDADMM CCc1nc(C[S@@](=O)Cc2ccccc2C(=O)[O-])n[nH]1 ZINC001605852821 1163690374 /nfs/dbraw/zinc/69/03/74/1163690374.db2.gz IFNVIZLWFKEPNG-FQEVSTJZSA-N -1 1 293.348 1.514 20 0 CDADMM Cc1ccn(CCCC(C)(F)F)c(=O)c1-c1nn[n-]n1 ZINC001605949590 1163724263 /nfs/dbraw/zinc/72/42/63/1163724263.db2.gz SGYAFTFTUUJMKD-UHFFFAOYSA-N -1 1 283.282 1.772 20 0 CDADMM Cc1nc(Cn2ccn3ncc(-c4nn[n-]n4)c23)cs1 ZINC001606045216 1163753796 /nfs/dbraw/zinc/75/37/96/1163753796.db2.gz YYJUPMQUWYQTQE-UHFFFAOYSA-N -1 1 286.324 1.129 20 0 CDADMM Cc1noc([C@H](C)N(C)Cc2ccc(-c3nnn[n-]3)o2)n1 ZINC001606128245 1163780309 /nfs/dbraw/zinc/78/03/09/1163780309.db2.gz VPPIOISPPURURO-ZETCQYMHSA-N -1 1 289.299 1.344 20 0 CDADMM Cc1noc([C@H](C)N(C)Cc2ccc(-c3nn[n-]n3)o2)n1 ZINC001606128245 1163780314 /nfs/dbraw/zinc/78/03/14/1163780314.db2.gz VPPIOISPPURURO-ZETCQYMHSA-N -1 1 289.299 1.344 20 0 CDADMM CN(CCc1ccncc1)Cc1cnc(C(=O)[O-])cn1 ZINC001606141305 1163784673 /nfs/dbraw/zinc/78/46/73/1163784673.db2.gz RODWNSDUSUVUBG-UHFFFAOYSA-N -1 1 272.308 1.244 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)C[C@@H]1CCCO1 ZINC001606164845 1163793251 /nfs/dbraw/zinc/79/32/51/1163793251.db2.gz FYLVITFKIKGKQD-VIFPVBQESA-N -1 1 291.311 1.019 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)C[C@@H]1CCCO1 ZINC001606164845 1163793262 /nfs/dbraw/zinc/79/32/62/1163793262.db2.gz FYLVITFKIKGKQD-VIFPVBQESA-N -1 1 291.311 1.019 20 0 CDADMM O=C(CC1CCOCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606507400 1163920152 /nfs/dbraw/zinc/92/01/52/1163920152.db2.gz PTKWAABGHKGSQB-UHFFFAOYSA-N -1 1 288.311 1.017 20 0 CDADMM O=C(CC1CCOCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606507400 1163920154 /nfs/dbraw/zinc/92/01/54/1163920154.db2.gz PTKWAABGHKGSQB-UHFFFAOYSA-N -1 1 288.311 1.017 20 0 CDADMM O=C(NCCCc1ccco1)c1ccc(-c2nnn[n-]2)o1 ZINC001606776026 1163990617 /nfs/dbraw/zinc/99/06/17/1163990617.db2.gz QGEKCXYQGOMAMV-UHFFFAOYSA-N -1 1 287.279 1.415 20 0 CDADMM O=C(NCCCc1ccco1)c1ccc(-c2nn[n-]n2)o1 ZINC001606776026 1163990624 /nfs/dbraw/zinc/99/06/24/1163990624.db2.gz QGEKCXYQGOMAMV-UHFFFAOYSA-N -1 1 287.279 1.415 20 0 CDADMM O=C(NCc1ccns1)c1ccc(-c2nnn[n-]2)s1 ZINC001606841924 1164011225 /nfs/dbraw/zinc/01/12/25/1164011225.db2.gz XRKJFFJTSUELGJ-UHFFFAOYSA-N -1 1 292.349 1.315 20 0 CDADMM O=C(NCc1ccns1)c1ccc(-c2nn[n-]n2)s1 ZINC001606841924 1164011230 /nfs/dbraw/zinc/01/12/30/1164011230.db2.gz XRKJFFJTSUELGJ-UHFFFAOYSA-N -1 1 292.349 1.315 20 0 CDADMM COCCC1(C)CN(Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC001606862357 1164017746 /nfs/dbraw/zinc/01/77/46/1164017746.db2.gz QHTOQKICXCVGDE-UHFFFAOYSA-N -1 1 252.314 1.571 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)C1(F)CCCC1 ZINC001606953699 1164036401 /nfs/dbraw/zinc/03/64/01/1164036401.db2.gz YKELZLPLHNHAPV-UHFFFAOYSA-N -1 1 282.304 1.544 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)C1(F)CCCC1 ZINC001606953699 1164036410 /nfs/dbraw/zinc/03/64/10/1164036410.db2.gz YKELZLPLHNHAPV-UHFFFAOYSA-N -1 1 282.304 1.544 20 0 CDADMM O=C(Nc1cncc(F)c1)c1ccsc1-c1nnn[n-]1 ZINC001606946401 1164036878 /nfs/dbraw/zinc/03/68/78/1164036878.db2.gz TXZZLCOFCTVXKE-UHFFFAOYSA-N -1 1 290.283 1.715 20 0 CDADMM O=C(Nc1cncc(F)c1)c1ccsc1-c1nn[n-]n1 ZINC001606946401 1164036882 /nfs/dbraw/zinc/03/68/82/1164036882.db2.gz TXZZLCOFCTVXKE-UHFFFAOYSA-N -1 1 290.283 1.715 20 0 CDADMM O=C(O[C@H]1COc2ccccc21)c1ccc(-c2nn[n-]n2)o1 ZINC001606964597 1164041374 /nfs/dbraw/zinc/04/13/74/1164041374.db2.gz XKMDKJWOXPRNLC-LBPRGKRZSA-N -1 1 298.258 1.750 20 0 CDADMM O=C(OCCCCF)c1ccc(-c2nnn[n-]2)nc1 ZINC001606969051 1164043503 /nfs/dbraw/zinc/04/35/03/1164043503.db2.gz VWHZBDNXDVYKQN-UHFFFAOYSA-N -1 1 265.248 1.168 20 0 CDADMM O=C(OCCCCF)c1ccc(-c2nn[n-]n2)nc1 ZINC001606969051 1164043511 /nfs/dbraw/zinc/04/35/11/1164043511.db2.gz VWHZBDNXDVYKQN-UHFFFAOYSA-N -1 1 265.248 1.168 20 0 CDADMM OC1(C2(CNc3cccc(-c4nnn[n-]4)n3)CC2)CCC1 ZINC001607098700 1164080029 /nfs/dbraw/zinc/08/00/29/1164080029.db2.gz UCELOERYYRGLIQ-UHFFFAOYSA-N -1 1 286.339 1.369 20 0 CDADMM OC1(C2(CNc3cccc(-c4nn[n-]n4)n3)CC2)CCC1 ZINC001607098700 1164080037 /nfs/dbraw/zinc/08/00/37/1164080037.db2.gz UCELOERYYRGLIQ-UHFFFAOYSA-N -1 1 286.339 1.369 20 0 CDADMM OC1CC2(C[C@@H]2Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001607099818 1164082226 /nfs/dbraw/zinc/08/22/26/1164082226.db2.gz DJINPNBOHGHNMI-BWQYWHONSA-N -1 1 298.759 1.302 20 0 CDADMM Oc1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)o3)n2)cc1 ZINC001607111628 1164090118 /nfs/dbraw/zinc/09/01/18/1164090118.db2.gz YZNZNKFCPRDXTK-UHFFFAOYSA-N -1 1 296.246 1.882 20 0 CDADMM O[C@H]1CCC[C@@H]1Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001607109516 1164091481 /nfs/dbraw/zinc/09/14/81/1164091481.db2.gz XQPCGHWELZCLNN-FZMZJTMJSA-N -1 1 296.334 1.162 20 0 CDADMM O[C@H]1CCC[C@@H]1Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001607109516 1164091488 /nfs/dbraw/zinc/09/14/88/1164091488.db2.gz XQPCGHWELZCLNN-FZMZJTMJSA-N -1 1 296.334 1.162 20 0 CDADMM c1cc(N2CC3(C2)CCCC3)cc(-c2nnn[n-]2)n1 ZINC001607119674 1164100931 /nfs/dbraw/zinc/10/09/31/1164100931.db2.gz GOVSKOIYNTZHCN-UHFFFAOYSA-N -1 1 256.313 1.642 20 0 CDADMM c1cc(N2CC3(C2)CCCC3)cc(-c2nn[n-]n2)n1 ZINC001607119674 1164100937 /nfs/dbraw/zinc/10/09/37/1164100937.db2.gz GOVSKOIYNTZHCN-UHFFFAOYSA-N -1 1 256.313 1.642 20 0 CDADMM c1cc(N2CC[C@@H]3CCCC[C@H]3C2)nnc1-c1nnn[n-]1 ZINC001607119889 1164103289 /nfs/dbraw/zinc/10/32/89/1164103289.db2.gz LKIDKOVEIKPHBE-QWRGUYRKSA-N -1 1 285.355 1.673 20 0 CDADMM c1cc(N2CC[C@@H]3CCCC[C@H]3C2)nnc1-c1nn[n-]n1 ZINC001607119889 1164103290 /nfs/dbraw/zinc/10/32/90/1164103290.db2.gz LKIDKOVEIKPHBE-QWRGUYRKSA-N -1 1 285.355 1.673 20 0 CDADMM c1cc2c(c(Oc3cccc(-c4nnn[n-]4)n3)c1)OCC2 ZINC001607124846 1164108222 /nfs/dbraw/zinc/10/82/22/1164108222.db2.gz CUQSEULQVRCUMF-UHFFFAOYSA-N -1 1 281.275 1.989 20 0 CDADMM c1cc2c(c(Oc3cccc(-c4nn[n-]n4)n3)c1)OCC2 ZINC001607124846 1164108224 /nfs/dbraw/zinc/10/82/24/1164108224.db2.gz CUQSEULQVRCUMF-UHFFFAOYSA-N -1 1 281.275 1.989 20 0 CDADMM c1[nH]nc2ccc(Sc3ccnc(-c4nn[n-]n4)n3)cc12 ZINC001607125949 1164108237 /nfs/dbraw/zinc/10/82/37/1164108237.db2.gz RVFQBGAEEHVCLV-UHFFFAOYSA-N -1 1 296.319 1.684 20 0 CDADMM c1ccc2c(c1)CC[C@H]2CNc1ccnc(-c2nn[n-]n2)n1 ZINC001607132564 1164110242 /nfs/dbraw/zinc/11/02/42/1164110242.db2.gz MZYZBEUOMKCHDC-NSHDSACASA-N -1 1 293.334 1.221 20 0 CDADMM c1ccc([C@H]2C[C@@H]2CNc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001607130728 1164111008 /nfs/dbraw/zinc/11/10/08/1164111008.db2.gz HHLAQNLPHOYHCT-TZMCWYRMSA-N -1 1 292.346 1.899 20 0 CDADMM c1ccc([C@H]2C[C@@H]2CNc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001607130728 1164111011 /nfs/dbraw/zinc/11/10/11/1164111011.db2.gz HHLAQNLPHOYHCT-TZMCWYRMSA-N -1 1 292.346 1.899 20 0 CDADMM c1cnc(CSc2cccnc2-c2nnn[n-]2)nc1 ZINC001607133829 1164112974 /nfs/dbraw/zinc/11/29/74/1164112974.db2.gz SANJBGQHKMKGMF-UHFFFAOYSA-N -1 1 271.309 1.344 20 0 CDADMM c1cnc(CSc2cccnc2-c2nn[n-]n2)nc1 ZINC001607133829 1164112979 /nfs/dbraw/zinc/11/29/79/1164112979.db2.gz SANJBGQHKMKGMF-UHFFFAOYSA-N -1 1 271.309 1.344 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NCC[C@H]1CCSC1 ZINC001607136903 1164116421 /nfs/dbraw/zinc/11/64/21/1164116421.db2.gz VIGVPAVRZPXQGV-QMMMGPOBSA-N -1 1 277.357 1.212 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NCC[C@H]1CCSC1 ZINC001607136903 1164116422 /nfs/dbraw/zinc/11/64/22/1164116422.db2.gz VIGVPAVRZPXQGV-QMMMGPOBSA-N -1 1 277.357 1.212 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CC3(CCC3)[C@@H]2C2CC2)n1 ZINC001607136708 1164117120 /nfs/dbraw/zinc/11/71/20/1164117120.db2.gz PMNFYKHKTBLPOT-LBPRGKRZSA-N -1 1 283.339 1.426 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CC3(CCC3)[C@@H]2C2CC2)n1 ZINC001607136708 1164117124 /nfs/dbraw/zinc/11/71/24/1164117124.db2.gz PMNFYKHKTBLPOT-LBPRGKRZSA-N -1 1 283.339 1.426 20 0 CDADMM COc1ccccc1NC(=O)CN[C@@](C)(CCF)C(=O)[O-] ZINC001607346363 1164152207 /nfs/dbraw/zinc/15/22/07/1164152207.db2.gz BVQMUOGSIHBYBB-AWEZNQCLSA-N -1 1 298.314 1.426 20 0 CDADMM C[C@H]1CN(Cc2cccc3c2CCOC3)C[C@@H](C(=O)[O-])O1 ZINC001607476662 1164197043 /nfs/dbraw/zinc/19/70/43/1164197043.db2.gz BAJGVYNKDMLULP-NHYWBVRUSA-N -1 1 291.347 1.433 20 0 CDADMM Cc1cc(NC(=O)[C@@H](C)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)on1 ZINC001607676821 1164265711 /nfs/dbraw/zinc/26/57/11/1164265711.db2.gz VATPVJNKHLFLCZ-HNXYLICVSA-N -1 1 295.339 1.353 20 0 CDADMM Cc1ccc2[nH]ncc2c1C(=O)OCC1(C(=O)[O-])CC1 ZINC001607827968 1164307724 /nfs/dbraw/zinc/30/77/24/1164307724.db2.gz BINJWQDNOYSBBW-UHFFFAOYSA-N -1 1 274.276 1.893 20 0 CDADMM Cc1cccc(-c2noc(CN3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)n2)c1 ZINC001607836770 1164309249 /nfs/dbraw/zinc/30/92/49/1164309249.db2.gz LECWBWHLORPKEN-IMRBUKKESA-N -1 1 299.330 1.807 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c1C ZINC001607935340 1164342956 /nfs/dbraw/zinc/34/29/56/1164342956.db2.gz MBVWTCREJLHJGW-UHFFFAOYSA-N -1 1 299.290 1.853 20 0 CDADMM Cn1cc(NC(=O)[C@@H]2NCCc3ccccc32)cc1C(=O)[O-] ZINC001608118789 1164415842 /nfs/dbraw/zinc/41/58/42/1164415842.db2.gz NJBJAKXAZSTCHJ-CQSZACIVSA-N -1 1 299.330 1.549 20 0 CDADMM Cn1nncc1C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001608167413 1164432167 /nfs/dbraw/zinc/43/21/67/1164432167.db2.gz FABMVXAOAZMJJM-RWMBFGLXSA-N -1 1 278.356 1.280 20 0 CDADMM Cn1nncc1CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001608167413 1164432173 /nfs/dbraw/zinc/43/21/73/1164432173.db2.gz FABMVXAOAZMJJM-RWMBFGLXSA-N -1 1 278.356 1.280 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](O)CN1Cc1ccc2cnccc2c1 ZINC001608606164 1164570020 /nfs/dbraw/zinc/57/00/20/1164570020.db2.gz GIAVLWPTXJHYIW-KBPBESRZSA-N -1 1 272.304 1.255 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(C[C@H](O)c3c(F)cccc3F)C[C@@H]21 ZINC001608816727 1164648873 /nfs/dbraw/zinc/64/88/73/1164648873.db2.gz BIGDOECBVPFPNF-IZLWQMGWSA-N -1 1 283.274 1.261 20 0 CDADMM O=C([O-])c1ccc(-c2nc([C@@H]3CCCN3)no2)s1 ZINC001608869126 1164666867 /nfs/dbraw/zinc/66/68/67/1164666867.db2.gz UHCSPAISBKMPCW-LURJTMIESA-N -1 1 265.294 1.921 20 0 CDADMM O=C([O-])c1cccc(CN2CCC[C@H](n3ccnc3)C2)n1 ZINC001608931044 1164687623 /nfs/dbraw/zinc/68/76/23/1164687623.db2.gz SRTATURLSUURFP-ZDUSSCGKSA-N -1 1 286.335 1.813 20 0 CDADMM O=C([O-])c1cccc(OCCSCc2nnc[nH]2)c1 ZINC001608937158 1164690343 /nfs/dbraw/zinc/69/03/43/1164690343.db2.gz HHTHBWZJKMDVSH-UHFFFAOYSA-N -1 1 279.321 1.815 20 0 CDADMM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001609070737 1164757646 /nfs/dbraw/zinc/75/76/46/1164757646.db2.gz UXBJXZXULYVFSM-ZCFIWIBFSA-N -1 1 282.254 1.492 20 0 CDADMM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001609070737 1164757651 /nfs/dbraw/zinc/75/76/51/1164757651.db2.gz UXBJXZXULYVFSM-ZCFIWIBFSA-N -1 1 282.254 1.492 20 0 CDADMM CC(C)[C@@H]1CN(c2cccnc2-c2nnn[n-]2)CCCO1 ZINC001609091224 1164765123 /nfs/dbraw/zinc/76/51/23/1164765123.db2.gz IJQZRPYGCLMMBI-LBPRGKRZSA-N -1 1 288.355 1.513 20 0 CDADMM CC(C)[C@@H]1CN(c2cccnc2-c2nn[n-]n2)CCCO1 ZINC001609091224 1164765128 /nfs/dbraw/zinc/76/51/28/1164765128.db2.gz IJQZRPYGCLMMBI-LBPRGKRZSA-N -1 1 288.355 1.513 20 0 CDADMM CC1=C(C)CN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001609152021 1164800595 /nfs/dbraw/zinc/80/05/95/1164800595.db2.gz WRTDIIAIOCRSED-UHFFFAOYSA-N -1 1 257.301 1.203 20 0 CDADMM CC1=C(C)CN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001609152021 1164800601 /nfs/dbraw/zinc/80/06/01/1164800601.db2.gz WRTDIIAIOCRSED-UHFFFAOYSA-N -1 1 257.301 1.203 20 0 CDADMM C[C@H]1CCCCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001609165501 1164810149 /nfs/dbraw/zinc/81/01/49/1164810149.db2.gz OQYFCCZNSPCOTP-JTQLQIEISA-N -1 1 286.339 1.524 20 0 CDADMM C[C@H]1CCCCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001609165501 1164810156 /nfs/dbraw/zinc/81/01/56/1164810156.db2.gz OQYFCCZNSPCOTP-JTQLQIEISA-N -1 1 286.339 1.524 20 0 CDADMM CC[C@@H]1CN(c2cc(C)nc(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC001609202542 1164842287 /nfs/dbraw/zinc/84/22/87/1164842287.db2.gz KFQJNVNYSLFRHD-CMPLNLGQSA-N -1 1 288.355 1.574 20 0 CDADMM CC[C@@H]1CN(c2cc(C)nc(-c3nn[n-]n3)c2)C[C@H](C)O1 ZINC001609202542 1164842293 /nfs/dbraw/zinc/84/22/93/1164842293.db2.gz KFQJNVNYSLFRHD-CMPLNLGQSA-N -1 1 288.355 1.574 20 0 CDADMM COC(C)(C)c1noc(-c2cc(-c3nnn[n-]3)oc2C)n1 ZINC001609307831 1164887976 /nfs/dbraw/zinc/88/79/76/1164887976.db2.gz RYXQCJTUSBEKFM-UHFFFAOYSA-N -1 1 290.283 1.700 20 0 CDADMM COC(C)(C)c1noc(-c2cc(-c3nn[n-]n3)oc2C)n1 ZINC001609307831 1164887984 /nfs/dbraw/zinc/88/79/84/1164887984.db2.gz RYXQCJTUSBEKFM-UHFFFAOYSA-N -1 1 290.283 1.700 20 0 CDADMM COc1cccc(CCNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001609361768 1164911042 /nfs/dbraw/zinc/91/10/42/1164911042.db2.gz WSKMNGXNBUTMOB-UHFFFAOYSA-N -1 1 296.334 1.925 20 0 CDADMM COc1cccc(CCNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001609361768 1164911048 /nfs/dbraw/zinc/91/10/48/1164911048.db2.gz WSKMNGXNBUTMOB-UHFFFAOYSA-N -1 1 296.334 1.925 20 0 CDADMM C[C@@H](C(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccccc1 ZINC001609374756 1164915967 /nfs/dbraw/zinc/91/59/67/1164915967.db2.gz WGDJUASFPRSUOW-MRVPVSSYSA-N -1 1 283.295 1.089 20 0 CDADMM Cc1ccc(Cn2ccn3ncc(-c4nn[n-]n4)c23)cc1 ZINC001609423994 1164940734 /nfs/dbraw/zinc/94/07/34/1164940734.db2.gz GHQWNTMRZIJUFT-UHFFFAOYSA-N -1 1 279.307 1.673 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C)c1ccccn1 ZINC001609468241 1164963476 /nfs/dbraw/zinc/96/34/76/1164963476.db2.gz LVZKIDORBMKKSS-QMMMGPOBSA-N -1 1 298.306 1.654 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C)c1ccccn1 ZINC001609468241 1164963483 /nfs/dbraw/zinc/96/34/83/1164963483.db2.gz LVZKIDORBMKKSS-QMMMGPOBSA-N -1 1 298.306 1.654 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@H]1CCC=CO1 ZINC001609467402 1164965259 /nfs/dbraw/zinc/96/52/59/1164965259.db2.gz DZUDDDBYYCIKEG-SECBINFHSA-N -1 1 289.295 1.191 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@H]1CCC=CO1 ZINC001609467402 1164965264 /nfs/dbraw/zinc/96/52/64/1164965264.db2.gz DZUDDDBYYCIKEG-SECBINFHSA-N -1 1 289.295 1.191 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C2CCC1CC2 ZINC001609466656 1164965962 /nfs/dbraw/zinc/96/59/62/1164965962.db2.gz FFZUDFDDKOKMAC-UHFFFAOYSA-N -1 1 273.296 1.535 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C2CCC1CC2 ZINC001609466656 1164965966 /nfs/dbraw/zinc/96/59/66/1164965966.db2.gz FFZUDFDDKOKMAC-UHFFFAOYSA-N -1 1 273.296 1.535 20 0 CDADMM Cc1nc(COC(=O)C23CCC(C(=O)[O-])(CC2)CC3)n[nH]1 ZINC001610550137 1165350731 /nfs/dbraw/zinc/35/07/31/1165350731.db2.gz CFGZJNMUNJDLNJ-UHFFFAOYSA-N -1 1 293.323 1.582 20 0 CDADMM O=C([O-])[C@H]1[C@H](CN2CCOC3(CCCC3)C2)C1(F)F ZINC001610731378 1165420750 /nfs/dbraw/zinc/42/07/50/1165420750.db2.gz LFZOFBITUFRXNG-VHSXEESVSA-N -1 1 275.295 1.597 20 0 CDADMM O=C([O-])[C@H]1CCC[C@H]1NCc1nc(-c2ccccn2)no1 ZINC001610742704 1165425007 /nfs/dbraw/zinc/42/50/07/1165425007.db2.gz RPGOWNNDPGWXEB-VHSXEESVSA-N -1 1 288.307 1.475 20 0 CDADMM O=C([O-])C[C@]1(NC/C(Cl)=C\Cl)CCCOC1 ZINC001610758475 1165431754 /nfs/dbraw/zinc/43/17/54/1165431754.db2.gz NWQZAPJADKEONI-VHODGJRUSA-N -1 1 268.140 1.919 20 0 CDADMM O=C([O-])Cn1cc(CNC2CC(c3ccccc3)C2)nn1 ZINC001610800537 1165446294 /nfs/dbraw/zinc/44/62/94/1165446294.db2.gz YCLMIYOSKSMTHJ-UHFFFAOYSA-N -1 1 286.335 1.399 20 0 CDADMM O=C([O-])c1cc(C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c[nH]1 ZINC001610811108 1165450999 /nfs/dbraw/zinc/45/09/99/1165450999.db2.gz NGDCVJUJPVKQLN-DRZSPHRISA-N -1 1 292.335 1.931 20 0 CDADMM O=C([O-])c1ccc(C(=O)OCCN2CCCCC2)o1 ZINC001610822884 1165452900 /nfs/dbraw/zinc/45/29/00/1165452900.db2.gz AJAXRYYDMCHTRO-UHFFFAOYSA-N -1 1 267.281 1.621 20 0 CDADMM O=C([O-])c1cn(C2CN(C[C@H]3C[C@H]3c3ccccc3)C2)nn1 ZINC001610860628 1165464617 /nfs/dbraw/zinc/46/46/17/1165464617.db2.gz RDLGZRUTOCGGBI-OCCSQVGLSA-N -1 1 298.346 1.637 20 0 CDADMM CSc1ncc(C(=O)NC[C@H]2C[C@H]2C)c(=O)[n-]1 ZINC001624613723 1165852642 /nfs/dbraw/zinc/85/26/42/1165852642.db2.gz QVUUREJLPGKORT-RNFRBKRXSA-N -1 1 253.327 1.290 20 0 CDADMM Cn1nc(C2CC2)cc1NC(=O)c1ccc([O-])cn1 ZINC001624675802 1165858498 /nfs/dbraw/zinc/85/84/98/1165858498.db2.gz MZEUZGQCASARCT-UHFFFAOYSA-N -1 1 258.281 1.650 20 0 CDADMM O=C(c1ccc(F)c([O-])c1)N1CC(n2ccnc2)C1 ZINC001628141241 1166044389 /nfs/dbraw/zinc/04/43/89/1166044389.db2.gz XNDYOILMCNUZAY-UHFFFAOYSA-N -1 1 261.256 1.425 20 0 CDADMM O=C(NCc1ccc(=O)[nH]c1)c1ncc2ccccc2c1[O-] ZINC001629743873 1166160424 /nfs/dbraw/zinc/16/04/24/1166160424.db2.gz GZYLUXRWLJNGFR-UHFFFAOYSA-N -1 1 295.298 1.971 20 0 CDADMM CN(C(=O)c1[nH]c2ccccc2c1Cl)c1nn[n-]n1 ZINC001630603625 1166216885 /nfs/dbraw/zinc/21/68/85/1166216885.db2.gz DTCLAHZDXZIKQM-UHFFFAOYSA-N -1 1 276.687 1.611 20 0 CDADMM CCC(CC)(NC(=O)[C@H]1CCSC1)c1nn[n-]n1 ZINC000095261846 1166615664 /nfs/dbraw/zinc/61/56/64/1166615664.db2.gz PFDSCVORYXZDPF-QMMMGPOBSA-N -1 1 269.374 1.084 20 0 CDADMM Cc1ccc(CNc2nc(C)cc(-c3nnn[n-]3)n2)cc1 ZINC000095340900 1166624938 /nfs/dbraw/zinc/62/49/38/1166624938.db2.gz ITEQGKIZWYZJKD-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1ccc(CNc2nc(C)cc(-c3nn[n-]n3)n2)cc1 ZINC000095340900 1166624942 /nfs/dbraw/zinc/62/49/42/1166624942.db2.gz ITEQGKIZWYZJKD-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cn2cc(C)ccc2n1 ZINC001636802580 1166700700 /nfs/dbraw/zinc/70/07/00/1166700700.db2.gz SXBFSAMPHCJKIJ-UHFFFAOYSA-N -1 1 271.280 1.632 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cccc(Cn2cncn2)c1 ZINC001638735441 1166868085 /nfs/dbraw/zinc/86/80/85/1166868085.db2.gz IDFCBPBKFHRONT-UHFFFAOYSA-N -1 1 284.279 1.007 20 0 CDADMM COc1ccc(C)cc1CC(=O)Nc1c[n-][nH]c1=O ZINC001638735431 1166868408 /nfs/dbraw/zinc/86/84/08/1166868408.db2.gz HZLPKCIRKODLIZ-UHFFFAOYSA-N -1 1 261.281 1.614 20 0 CDADMM O=C(Nc1cnn(CCF)c1)c1ccc(F)c([O-])c1 ZINC001641527332 1167115857 /nfs/dbraw/zinc/11/58/57/1167115857.db2.gz SKSHYQTXXWBCNY-UHFFFAOYSA-N -1 1 267.235 1.950 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1ccc2scnc2c1 ZINC001641601744 1167124027 /nfs/dbraw/zinc/12/40/27/1167124027.db2.gz YFHUKWPIZGIKRR-UHFFFAOYSA-N -1 1 260.278 1.977 20 0 CDADMM CC1=NO[C@@](C)(C(=O)Nc2n[n-]c(C(F)(F)F)n2)C1 ZINC001646649287 1168019689 /nfs/dbraw/zinc/01/96/89/1168019689.db2.gz ITGDIBPKLFROKF-MRVPVSSYSA-N -1 1 277.206 1.317 20 0 CDADMM CN(C(=O)[C@@]1(C)CCc2ccccc2C1)c1nn[n-]n1 ZINC001650027395 1169626079 /nfs/dbraw/zinc/62/60/79/1169626079.db2.gz KBYBTSQMYLXXPH-AWEZNQCLSA-N -1 1 271.324 1.358 20 0 CDADMM O=C(Nc1cncnc1-n1cccn1)c1cccc([O-])c1F ZINC001570871688 1170306353 /nfs/dbraw/zinc/30/63/53/1170306353.db2.gz ONAKOHYKMVILAW-UHFFFAOYSA-N -1 1 299.265 1.759 20 0 CDADMM C[C@@H](C(=O)[O-])C1CN(Cc2cc(-c3ccccn3)n[nH]2)C1 ZINC001573407879 1170659496 /nfs/dbraw/zinc/65/94/96/1170659496.db2.gz QULQKQSOYVNTNU-SNVBAGLBSA-N -1 1 286.335 1.624 20 0 CDADMM CCN1CC[C@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001573778077 1170772116 /nfs/dbraw/zinc/77/21/16/1170772116.db2.gz OAOLGXCATZGQHZ-JTQLQIEISA-N -1 1 288.307 1.294 20 0 CDADMM O=C([O-])CCCN1Cc2nc(C3CC3)[nH]c(=O)c2C1 ZINC001574361372 1170959184 /nfs/dbraw/zinc/95/91/84/1170959184.db2.gz FMKBXPIKQGXSEZ-UHFFFAOYSA-N -1 1 263.297 1.240 20 0 CDADMM O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1Cc1nnc2n1CCCCC2 ZINC001574402751 1170972787 /nfs/dbraw/zinc/97/27/87/1170972787.db2.gz DCWGWPRWQJMLNN-WDMOLILDSA-N -1 1 290.367 1.442 20 0 CDADMM CCC(=O)Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001576412344 1171416671 /nfs/dbraw/zinc/41/66/71/1171416671.db2.gz WAXKEOWUVMWGCG-UHFFFAOYSA-N -1 1 283.291 1.161 20 0 CDADMM Cc1nsc(NCc2ncccn2)c1-c1nn[n-]n1 ZINC001581721492 1172620153 /nfs/dbraw/zinc/62/01/53/1172620153.db2.gz OAJABLAZNKHNLX-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM O=C(c1ccsc1-c1nnn[n-]1)N1CC2(CCC2)C1 ZINC001582728708 1172688381 /nfs/dbraw/zinc/68/83/81/1172688381.db2.gz XYGAAAKUXSKINX-UHFFFAOYSA-N -1 1 275.337 1.554 20 0 CDADMM O=C(c1ccsc1-c1nn[n-]n1)N1CC2(CCC2)C1 ZINC001582728708 1172688387 /nfs/dbraw/zinc/68/83/87/1172688387.db2.gz XYGAAAKUXSKINX-UHFFFAOYSA-N -1 1 275.337 1.554 20 0 CDADMM O=C(c1ncc2ccccc2c1[O-])N1CCc2n[nH]nc2C1 ZINC001586627145 1172952713 /nfs/dbraw/zinc/95/27/13/1172952713.db2.gz OAFDZKKREVEMEH-UHFFFAOYSA-N -1 1 295.302 1.257 20 0 CDADMM C1=CC[C@H](CCNc2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001588389694 1173060121 /nfs/dbraw/zinc/06/01/21/1173060121.db2.gz XWNDDYUYEHQZHU-JTQLQIEISA-N -1 1 271.328 1.815 20 0 CDADMM CC(=O)C1CCN(c2ccc(C)c(-c3nnn[n-]3)n2)CC1 ZINC001588787479 1173106993 /nfs/dbraw/zinc/10/69/93/1173106993.db2.gz TXOSIMKLACSOTA-UHFFFAOYSA-N -1 1 286.339 1.376 20 0 CDADMM CC(=O)C1CCN(c2ccc(C)c(-c3nn[n-]n3)n2)CC1 ZINC001588787479 1173106998 /nfs/dbraw/zinc/10/69/98/1173106998.db2.gz TXOSIMKLACSOTA-UHFFFAOYSA-N -1 1 286.339 1.376 20 0 CDADMM CC(C)[C@@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001589472873 1173147014 /nfs/dbraw/zinc/14/70/14/1173147014.db2.gz VNAROQKZNPHDAB-GFCCVEGCSA-N -1 1 286.339 1.426 20 0 CDADMM CC(C)[C@@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001589472873 1173147016 /nfs/dbraw/zinc/14/70/16/1173147016.db2.gz VNAROQKZNPHDAB-GFCCVEGCSA-N -1 1 286.339 1.426 20 0 CDADMM CC(C)[C@@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)CCO1 ZINC001589517070 1173154539 /nfs/dbraw/zinc/15/45/39/1173154539.db2.gz KURAMOUDCHGGEO-JTQLQIEISA-N -1 1 294.384 1.180 20 0 CDADMM CC(C)[C@@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)CCO1 ZINC001589517070 1173154543 /nfs/dbraw/zinc/15/45/43/1173154543.db2.gz KURAMOUDCHGGEO-JTQLQIEISA-N -1 1 294.384 1.180 20 0 CDADMM CC(C)CCNC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001589601994 1173163234 /nfs/dbraw/zinc/16/32/34/1173163234.db2.gz NZGDEUCPTQHARN-UHFFFAOYSA-N -1 1 294.384 1.774 20 0 CDADMM C[C@H](CC(C)(C)C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001589797097 1173183400 /nfs/dbraw/zinc/18/34/00/1173183400.db2.gz VBKIJEYZSGMWOB-SSDOTTSWSA-N -1 1 277.332 1.358 20 0 CDADMM C[C@H](CC(C)(C)O)OC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001589797004 1173185258 /nfs/dbraw/zinc/18/52/58/1173185258.db2.gz RWWDDTLOZBOURK-SSDOTTSWSA-N -1 1 296.352 1.635 20 0 CDADMM C[C@H](CC(C)(C)O)OC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589797004 1173185259 /nfs/dbraw/zinc/18/52/59/1173185259.db2.gz RWWDDTLOZBOURK-SSDOTTSWSA-N -1 1 296.352 1.635 20 0 CDADMM C[C@H](N(C)C(=O)c1coc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001589911950 1173204175 /nfs/dbraw/zinc/20/41/75/1173204175.db2.gz SDKIEUZPAGCILQ-QMMMGPOBSA-N -1 1 277.328 1.966 20 0 CDADMM C[C@H](N(C)C(=O)c1coc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001589911950 1173204181 /nfs/dbraw/zinc/20/41/81/1173204181.db2.gz SDKIEUZPAGCILQ-QMMMGPOBSA-N -1 1 277.328 1.966 20 0 CDADMM C[C@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)C(F)F ZINC001589981884 1173220845 /nfs/dbraw/zinc/22/08/45/1173220845.db2.gz UUJBJMVVLIDHED-YFKPBYRVSA-N -1 1 281.270 1.600 20 0 CDADMM C[C@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)C(F)F ZINC001589981884 1173220852 /nfs/dbraw/zinc/22/08/52/1173220852.db2.gz UUJBJMVVLIDHED-YFKPBYRVSA-N -1 1 281.270 1.600 20 0 CDADMM C[C@@H](O)c1ccc(CNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001590002570 1173234695 /nfs/dbraw/zinc/23/46/95/1173234695.db2.gz DFJFSVJRDUOHFJ-SECBINFHSA-N -1 1 297.322 1.322 20 0 CDADMM C[C@@H](O)c1ccc(CNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001590002570 1173234704 /nfs/dbraw/zinc/23/47/04/1173234704.db2.gz DFJFSVJRDUOHFJ-SECBINFHSA-N -1 1 297.322 1.322 20 0 CDADMM CC1(C)CC[C@H](CNc2ncncc2-c2nn[n-]n2)O1 ZINC001590090327 1173253979 /nfs/dbraw/zinc/25/39/79/1173253979.db2.gz HLFDDVHIMDGOGT-MRVPVSSYSA-N -1 1 275.316 1.026 20 0 CDADMM CC1(CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001590126292 1173265168 /nfs/dbraw/zinc/26/51/68/1173265168.db2.gz BMWRZMIRTGFUJX-UHFFFAOYSA-N -1 1 272.312 1.182 20 0 CDADMM CC1(CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001590126292 1173265172 /nfs/dbraw/zinc/26/51/72/1173265172.db2.gz BMWRZMIRTGFUJX-UHFFFAOYSA-N -1 1 272.312 1.182 20 0 CDADMM C[C@H]1CC(F)(F)CCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001590193502 1173286536 /nfs/dbraw/zinc/28/65/36/1173286536.db2.gz QMERPCOTIAQNEV-ZETCQYMHSA-N -1 1 281.270 1.281 20 0 CDADMM C[C@H]1CC(F)(F)CCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001590193502 1173286541 /nfs/dbraw/zinc/28/65/41/1173286541.db2.gz QMERPCOTIAQNEV-ZETCQYMHSA-N -1 1 281.270 1.281 20 0 CDADMM C[C@H]1C[C@H]1c1noc(Cc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001590217160 1173296171 /nfs/dbraw/zinc/29/61/71/1173296171.db2.gz AFDMYSRSOOUFGK-IONNQARKSA-N -1 1 283.295 1.359 20 0 CDADMM C[C@H]1C[C@H]1c1noc(Cc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001590217160 1173296175 /nfs/dbraw/zinc/29/61/75/1173296175.db2.gz AFDMYSRSOOUFGK-IONNQARKSA-N -1 1 283.295 1.359 20 0 CDADMM C[C@H]1C[C@H]1CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590221421 1173302173 /nfs/dbraw/zinc/30/21/73/1173302173.db2.gz SSZSJPMGXAERQY-YUMQZZPRSA-N -1 1 273.300 1.039 20 0 CDADMM C[C@H]1C[C@H]1CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590221421 1173302180 /nfs/dbraw/zinc/30/21/80/1173302180.db2.gz SSZSJPMGXAERQY-YUMQZZPRSA-N -1 1 273.300 1.039 20 0 CDADMM C[C@H]1CCC[C@@H](C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC001590239864 1173310130 /nfs/dbraw/zinc/31/01/30/1173310130.db2.gz OXVCDBGKGNEPML-DTWKUNHWSA-N -1 1 289.343 1.365 20 0 CDADMM C[C@H]1CCC[C@@H](C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC001590239864 1173310137 /nfs/dbraw/zinc/31/01/37/1173310137.db2.gz OXVCDBGKGNEPML-DTWKUNHWSA-N -1 1 289.343 1.365 20 0 CDADMM C[C@@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)[C@H](C)[C@H](C)O1 ZINC001590300744 1173343068 /nfs/dbraw/zinc/34/30/68/1173343068.db2.gz DXXRXTWSDJMCRF-HLTSFMKQSA-N -1 1 291.311 1.098 20 0 CDADMM C[C@@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)[C@H](C)[C@H](C)O1 ZINC001590300744 1173343076 /nfs/dbraw/zinc/34/30/76/1173343076.db2.gz DXXRXTWSDJMCRF-HLTSFMKQSA-N -1 1 291.311 1.098 20 0 CDADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@H](C)C1(F)F ZINC001590314435 1173352213 /nfs/dbraw/zinc/35/22/13/1173352213.db2.gz HWZFKXIBRCVDEF-DTORHVGOSA-N -1 1 294.309 1.989 20 0 CDADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@H](C)C1(F)F ZINC001590314435 1173352219 /nfs/dbraw/zinc/35/22/19/1173352219.db2.gz HWZFKXIBRCVDEF-DTORHVGOSA-N -1 1 294.309 1.989 20 0 CDADMM C[C@H]1SCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)[C@H]1C ZINC001590338153 1173365288 /nfs/dbraw/zinc/36/52/88/1173365288.db2.gz SPIVUTBXYZGRIM-JGVFFNPUSA-N -1 1 293.352 1.426 20 0 CDADMM C[C@H]1SCCN(C(=O)c2ccc(-c3nn[n-]n3)o2)[C@H]1C ZINC001590338153 1173365295 /nfs/dbraw/zinc/36/52/95/1173365295.db2.gz SPIVUTBXYZGRIM-JGVFFNPUSA-N -1 1 293.352 1.426 20 0 CDADMM C/C=C(\CC)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590347087 1173366949 /nfs/dbraw/zinc/36/69/49/1173366949.db2.gz ANHQRKINSRCRKM-FPYGCLRLSA-N -1 1 277.353 1.901 20 0 CDADMM CCC1(NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)CCC1 ZINC001590497901 1173436893 /nfs/dbraw/zinc/43/68/93/1173436893.db2.gz AKAVBLDNDAHEIM-UHFFFAOYSA-N -1 1 287.327 1.716 20 0 CDADMM CCC1(NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)CCC1 ZINC001590497901 1173436896 /nfs/dbraw/zinc/43/68/96/1173436896.db2.gz AKAVBLDNDAHEIM-UHFFFAOYSA-N -1 1 287.327 1.716 20 0 CDADMM CC[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)nc(C)n2)CCO1 ZINC001590507000 1173439754 /nfs/dbraw/zinc/43/97/54/1173439754.db2.gz YGUNQSRKMBOGOK-ZJUUUORDSA-N -1 1 289.343 1.335 20 0 CDADMM CC[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)nc(C)n2)CCO1 ZINC001590507000 1173439759 /nfs/dbraw/zinc/43/97/59/1173439759.db2.gz YGUNQSRKMBOGOK-ZJUUUORDSA-N -1 1 289.343 1.335 20 0 CDADMM CC[C@H]1CCC[C@H]1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001590508690 1173442491 /nfs/dbraw/zinc/44/24/91/1173442491.db2.gz OVURAXAROFPYHS-JGVFFNPUSA-N -1 1 275.316 1.112 20 0 CDADMM CC[C@@H]1CCCC[C@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590510123 1173444188 /nfs/dbraw/zinc/44/41/88/1173444188.db2.gz FIHVKKXTWSRKEG-RKDXNWHRSA-N -1 1 289.343 1.745 20 0 CDADMM CC[C@@H]1CCCC[C@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590510123 1173444191 /nfs/dbraw/zinc/44/41/91/1173444191.db2.gz FIHVKKXTWSRKEG-RKDXNWHRSA-N -1 1 289.343 1.745 20 0 CDADMM CC/C=C/CNC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001590532274 1173455427 /nfs/dbraw/zinc/45/54/27/1173455427.db2.gz RXEDWXAFQOSVHH-SNAWJCMRSA-N -1 1 293.356 1.719 20 0 CDADMM CC/C=C/CNC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590532274 1173455431 /nfs/dbraw/zinc/45/54/31/1173455431.db2.gz RXEDWXAFQOSVHH-SNAWJCMRSA-N -1 1 293.356 1.719 20 0 CDADMM CCS[C@@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)C(C)C ZINC001590851215 1173527944 /nfs/dbraw/zinc/52/79/44/1173527944.db2.gz JMXFIBGXOKEPTR-MRVPVSSYSA-N -1 1 295.372 1.306 20 0 CDADMM CCS[C@@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)C(C)C ZINC001590851215 1173527951 /nfs/dbraw/zinc/52/79/51/1173527951.db2.gz JMXFIBGXOKEPTR-MRVPVSSYSA-N -1 1 295.372 1.306 20 0 CDADMM CC[C@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001590869105 1173531835 /nfs/dbraw/zinc/53/18/35/1173531835.db2.gz UMRFXYFULDFYAG-BYPYZUCNSA-N -1 1 274.737 1.159 20 0 CDADMM CC[C@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001590869105 1173531840 /nfs/dbraw/zinc/53/18/40/1173531840.db2.gz UMRFXYFULDFYAG-BYPYZUCNSA-N -1 1 274.737 1.159 20 0 CDADMM CCc1coc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)n1 ZINC001590901976 1173538004 /nfs/dbraw/zinc/53/80/04/1173538004.db2.gz PBRTZJBTZYBPEI-UHFFFAOYSA-N -1 1 288.267 1.571 20 0 CDADMM CCc1coc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)n1 ZINC001590901976 1173538011 /nfs/dbraw/zinc/53/80/11/1173538011.db2.gz PBRTZJBTZYBPEI-UHFFFAOYSA-N -1 1 288.267 1.571 20 0 CDADMM CCc1nc(C)c(CNc2cc(-c3nnn[n-]3)ncn2)o1 ZINC001590911692 1173540733 /nfs/dbraw/zinc/54/07/33/1173540733.db2.gz NOUNXIRKERMLOR-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CCc1nc(C)c(CNc2cc(-c3nn[n-]n3)ncn2)o1 ZINC001590911692 1173540740 /nfs/dbraw/zinc/54/07/40/1173540740.db2.gz NOUNXIRKERMLOR-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CCn1ccnc1Sc1ccnc(-c2nnn[n-]2)c1 ZINC001590962182 1173552578 /nfs/dbraw/zinc/55/25/78/1173552578.db2.gz VSJIHGOGHADDNV-UHFFFAOYSA-N -1 1 273.325 1.629 20 0 CDADMM CCn1ccnc1Sc1ccnc(-c2nn[n-]n2)c1 ZINC001590962182 1173552581 /nfs/dbraw/zinc/55/25/81/1173552581.db2.gz VSJIHGOGHADDNV-UHFFFAOYSA-N -1 1 273.325 1.629 20 0 CDADMM CN(Cc1cscn1)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591152269 1173581913 /nfs/dbraw/zinc/58/19/13/1173581913.db2.gz UQWMMJDLHQGGIB-UHFFFAOYSA-N -1 1 290.308 1.188 20 0 CDADMM CN(Cc1cscn1)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591152269 1173581918 /nfs/dbraw/zinc/58/19/18/1173581918.db2.gz UQWMMJDLHQGGIB-UHFFFAOYSA-N -1 1 290.308 1.188 20 0 CDADMM CO[C@](C)([C@H](C)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001591317730 1173603805 /nfs/dbraw/zinc/60/38/05/1173603805.db2.gz HFELSRDBILURFW-LKFCYVNXSA-N -1 1 288.355 1.877 20 0 CDADMM CO[C@](C)([C@H](C)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001591317730 1173603810 /nfs/dbraw/zinc/60/38/10/1173603810.db2.gz HFELSRDBILURFW-LKFCYVNXSA-N -1 1 288.355 1.877 20 0 CDADMM CO[C@](C)(CNc1cc(-c2nnn[n-]2)nc(C)n1)C1CC1 ZINC001591318284 1173605453 /nfs/dbraw/zinc/60/54/53/1173605453.db2.gz ORYTXNIHESJQID-CYBMUJFWSA-N -1 1 289.343 1.192 20 0 CDADMM CO[C@](C)(CNc1cc(-c2nn[n-]n2)nc(C)n1)C1CC1 ZINC001591318284 1173605456 /nfs/dbraw/zinc/60/54/56/1173605456.db2.gz ORYTXNIHESJQID-CYBMUJFWSA-N -1 1 289.343 1.192 20 0 CDADMM CO[C@H](CNc1ccc(C)nc1-c1nnn[n-]1)C1CC1 ZINC001591328334 1173612568 /nfs/dbraw/zinc/61/25/68/1173612568.db2.gz AUZWLMJMZYAYBE-LLVKDONJSA-N -1 1 274.328 1.407 20 0 CDADMM CO[C@H](CNc1ccc(C)nc1-c1nn[n-]n1)C1CC1 ZINC001591328334 1173612572 /nfs/dbraw/zinc/61/25/72/1173612572.db2.gz AUZWLMJMZYAYBE-LLVKDONJSA-N -1 1 274.328 1.407 20 0 CDADMM COCC[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591398165 1173644765 /nfs/dbraw/zinc/64/47/65/1173644765.db2.gz BYNQKBGTGWGGFU-YFKPBYRVSA-N -1 1 288.764 1.814 20 0 CDADMM COc1cc(CCNc2cccc(-c3nnn[n-]3)n2)ccn1 ZINC001591524802 1173667028 /nfs/dbraw/zinc/66/70/28/1173667028.db2.gz WUONQAFTKBESTM-UHFFFAOYSA-N -1 1 297.322 1.320 20 0 CDADMM COc1cc(CCNc2cccc(-c3nn[n-]n3)n2)ccn1 ZINC001591524802 1173667031 /nfs/dbraw/zinc/66/70/31/1173667031.db2.gz WUONQAFTKBESTM-UHFFFAOYSA-N -1 1 297.322 1.320 20 0 CDADMM COc1cccc(CN(C)c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001591637889 1173675653 /nfs/dbraw/zinc/67/56/53/1173675653.db2.gz GQZHIVYVPXOSOA-UHFFFAOYSA-N -1 1 297.322 1.302 20 0 CDADMM COc1cccc(COc2cnc(-c3nn[n-]n3)nc2)c1 ZINC001591640335 1173675865 /nfs/dbraw/zinc/67/58/65/1173675865.db2.gz VOPKPZDYWFEZHN-UHFFFAOYSA-N -1 1 284.279 1.244 20 0 CDADMM C[C@H](NC(=O)N=c1ccnc2n(C)[n-]cc1-2)C1CC1 ZINC001671311523 1173676340 /nfs/dbraw/zinc/67/63/40/1173676340.db2.gz YHYBMPOFRHTQPG-QMMMGPOBSA-N -1 1 259.313 1.262 20 0 CDADMM C[C@@]12CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC001591760248 1173697454 /nfs/dbraw/zinc/69/74/54/1173697454.db2.gz JTZFAGATVNYLKI-RSQPEXBXSA-N -1 1 295.350 1.305 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC001591885302 1173739114 /nfs/dbraw/zinc/73/91/14/1173739114.db2.gz HYMVIRONKGCAQN-OCAPTIKFSA-N -1 1 278.266 1.271 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC001591885302 1173739122 /nfs/dbraw/zinc/73/91/22/1173739122.db2.gz HYMVIRONKGCAQN-OCAPTIKFSA-N -1 1 278.266 1.271 20 0 CDADMM Cc1cc(N2CC[C@@H](CF)C2)cc(-c2nnn[n-]2)n1 ZINC001592000819 1173769990 /nfs/dbraw/zinc/76/99/90/1173769990.db2.gz GWHGIBPKTMMGIL-VIFPVBQESA-N -1 1 262.292 1.366 20 0 CDADMM Cc1cc(N2CC[C@@H](CF)C2)cc(-c2nn[n-]n2)n1 ZINC001592000819 1173769995 /nfs/dbraw/zinc/76/99/95/1173769995.db2.gz GWHGIBPKTMMGIL-VIFPVBQESA-N -1 1 262.292 1.366 20 0 CDADMM Cc1cc(O)cc(NC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001592055770 1173788217 /nfs/dbraw/zinc/78/82/17/1173788217.db2.gz DZTOHRUXXAONLS-UHFFFAOYSA-N -1 1 296.290 1.528 20 0 CDADMM Cc1cc(O)cc(NC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001592055770 1173788219 /nfs/dbraw/zinc/78/82/19/1173788219.db2.gz DZTOHRUXXAONLS-UHFFFAOYSA-N -1 1 296.290 1.528 20 0 CDADMM Cc1cc(CNc2cc(C)nc(-c3nnn[n-]3)c2)no1 ZINC001592052587 1173788900 /nfs/dbraw/zinc/78/89/00/1173788900.db2.gz NVVYPWGYBUHHON-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1cc(CNc2cc(C)nc(-c3nn[n-]n3)c2)no1 ZINC001592052587 1173788906 /nfs/dbraw/zinc/78/89/06/1173788906.db2.gz NVVYPWGYBUHHON-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1cc(Oc2cccnc2-c2nnn[n-]2)nc(C)n1 ZINC001592063841 1173791943 /nfs/dbraw/zinc/79/19/43/1173791943.db2.gz XDBGOQXYLAAKHT-UHFFFAOYSA-N -1 1 269.268 1.461 20 0 CDADMM Cc1ccc(C)c(Cn2cc(-c3nn[n-]n3)ccc2=O)c1 ZINC001592140241 1173812149 /nfs/dbraw/zinc/81/21/49/1173812149.db2.gz CHLIVFBOHUSYLA-UHFFFAOYSA-N -1 1 281.319 1.694 20 0 CDADMM Cc1ccc(N2CCC(C)CC2)nc1-c1nnn[n-]1 ZINC001592174360 1173823259 /nfs/dbraw/zinc/82/32/59/1173823259.db2.gz BWRSGIHAABPCLY-UHFFFAOYSA-N -1 1 258.329 1.806 20 0 CDADMM Cc1ccc(N2CCC(C)CC2)nc1-c1nn[n-]n1 ZINC001592174360 1173823262 /nfs/dbraw/zinc/82/32/62/1173823262.db2.gz BWRSGIHAABPCLY-UHFFFAOYSA-N -1 1 258.329 1.806 20 0 CDADMM Cc1ccc(N[C@@H](C)[C@H]2CCOC2)nc1-c1nnn[n-]1 ZINC001592183296 1173828665 /nfs/dbraw/zinc/82/86/65/1173828665.db2.gz CWAQQBZHCOPKLZ-UWVGGRQHSA-N -1 1 274.328 1.407 20 0 CDADMM Cc1ccc(N[C@@H](C)[C@H]2CCOC2)nc1-c1nn[n-]n1 ZINC001592183296 1173828670 /nfs/dbraw/zinc/82/86/70/1173828670.db2.gz CWAQQBZHCOPKLZ-UWVGGRQHSA-N -1 1 274.328 1.407 20 0 CDADMM Cc1ccc(N[C@H](C)c2csnn2)nc1-c1nnn[n-]1 ZINC001592184962 1173831743 /nfs/dbraw/zinc/83/17/43/1173831743.db2.gz ZBKBUZZSDSXBBN-SSDOTTSWSA-N -1 1 288.340 1.595 20 0 CDADMM Cc1ccc(N[C@H](C)c2csnn2)nc1-c1nn[n-]n1 ZINC001592184962 1173831748 /nfs/dbraw/zinc/83/17/48/1173831748.db2.gz ZBKBUZZSDSXBBN-SSDOTTSWSA-N -1 1 288.340 1.595 20 0 CDADMM Cc1csc(COc2ccc(F)nc2-c2nn[n-]n2)n1 ZINC001592315671 1173855046 /nfs/dbraw/zinc/85/50/46/1173855046.db2.gz VNKKTASGUUMIRL-UHFFFAOYSA-N -1 1 292.299 1.745 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC(C)(C)[C@H]2C2CC2)n1 ZINC001592337538 1173859309 /nfs/dbraw/zinc/85/93/09/1173859309.db2.gz JRSSCTKCPWKXOO-GFCCVEGCSA-N -1 1 285.355 1.590 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC(C)(C)[C@H]2C2CC2)n1 ZINC001592337538 1173859312 /nfs/dbraw/zinc/85/93/12/1173859312.db2.gz JRSSCTKCPWKXOO-GFCCVEGCSA-N -1 1 285.355 1.590 20 0 CDADMM Cc1nc(C)c(NC(=O)c2ccc(-c3nn[n-]n3)o2)s1 ZINC001592357146 1173867871 /nfs/dbraw/zinc/86/78/71/1173867871.db2.gz DZVARUGISYOJRI-UHFFFAOYSA-N -1 1 290.308 1.785 20 0 CDADMM Cc1ncsc1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001592425250 1173886492 /nfs/dbraw/zinc/88/64/92/1173886492.db2.gz YMYHFUHXAYOMBL-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM Cc1ncsc1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001592425250 1173886494 /nfs/dbraw/zinc/88/64/94/1173886494.db2.gz YMYHFUHXAYOMBL-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N=[S@](C)(=O)C(C)C ZINC001592498817 1173904374 /nfs/dbraw/zinc/90/43/74/1173904374.db2.gz FUPXTWPOUSEHQH-HXUWFJFHSA-N -1 1 297.340 1.415 20 0 CDADMM FC(F)(F)CCCNc1cncc(-c2nnn[n-]2)n1 ZINC001592616279 1173929705 /nfs/dbraw/zinc/92/97/05/1173929705.db2.gz VIXBOMUQSNBRAU-UHFFFAOYSA-N -1 1 273.222 1.411 20 0 CDADMM FC(F)(F)CCCNc1cncc(-c2nn[n-]n2)n1 ZINC001592616279 1173929711 /nfs/dbraw/zinc/92/97/11/1173929711.db2.gz VIXBOMUQSNBRAU-UHFFFAOYSA-N -1 1 273.222 1.411 20 0 CDADMM Fc1cccc(OCc2cnsn2)c1-c1nnn[n-]1 ZINC001592658535 1173958124 /nfs/dbraw/zinc/95/81/24/1173958124.db2.gz SEBYVFSSWBOLOY-UHFFFAOYSA-N -1 1 278.272 1.436 20 0 CDADMM Fc1cccc(OCc2cnsn2)c1-c1nn[n-]n1 ZINC001592658535 1173958131 /nfs/dbraw/zinc/95/81/31/1173958131.db2.gz SEBYVFSSWBOLOY-UHFFFAOYSA-N -1 1 278.272 1.436 20 0 CDADMM Fc1cccc2c1CCN2c1ncncc1-c1nn[n-]n1 ZINC001592657764 1173958933 /nfs/dbraw/zinc/95/89/33/1173958933.db2.gz AKXWSOBYZIYARK-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)C1CCCCC1 ZINC001592937795 1174006097 /nfs/dbraw/zinc/00/60/97/1174006097.db2.gz OGGSVJDBKGNUST-UHFFFAOYSA-N -1 1 287.323 1.178 20 0 CDADMM O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1coc(-c2nnn[n-]2)c1 ZINC001592973137 1174010590 /nfs/dbraw/zinc/01/05/90/1174010590.db2.gz QXMUXCDPRNNJKR-FKTZTGRPSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1coc(-c2nn[n-]n2)c1 ZINC001592973137 1174010593 /nfs/dbraw/zinc/01/05/93/1174010593.db2.gz QXMUXCDPRNNJKR-FKTZTGRPSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1csc(-c2nn[n-]n2)c1 ZINC001592973364 1174011092 /nfs/dbraw/zinc/01/10/92/1174011092.db2.gz UHJQIBMKFPHVEU-FKTZTGRPSA-N -1 1 289.364 1.847 20 0 CDADMM O=C(NCCOC1CCCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001593096628 1174021393 /nfs/dbraw/zinc/02/13/93/1174021393.db2.gz OXHZKZXQKYIQIQ-UHFFFAOYSA-N -1 1 291.311 1.149 20 0 CDADMM O=C(NCCOC1CCCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001593096628 1174021398 /nfs/dbraw/zinc/02/13/98/1174021398.db2.gz OXHZKZXQKYIQIQ-UHFFFAOYSA-N -1 1 291.311 1.149 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CC[C@H]1C1CC1 ZINC001593256691 1174043488 /nfs/dbraw/zinc/04/34/88/1174043488.db2.gz WQWQJZKYGKKELM-NSHDSACASA-N -1 1 285.311 1.278 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CC[C@H]1C1CC1 ZINC001593256691 1174043495 /nfs/dbraw/zinc/04/34/95/1174043495.db2.gz WQWQJZKYGKKELM-NSHDSACASA-N -1 1 285.311 1.278 20 0 CDADMM O=C(OC[C@@H]1CCCS1)c1ccc(-c2nn[n-]n2)o1 ZINC001593284192 1174049908 /nfs/dbraw/zinc/04/99/08/1174049908.db2.gz LJTHMKJJTUDZJX-ZETCQYMHSA-N -1 1 280.309 1.512 20 0 CDADMM O=C(OCc1cscn1)c1ccsc1-c1nnn[n-]1 ZINC001593305719 1174059092 /nfs/dbraw/zinc/05/90/92/1174059092.db2.gz YDMJNFIARYLSRZ-UHFFFAOYSA-N -1 1 293.333 1.742 20 0 CDADMM O=C(OCc1cscn1)c1ccsc1-c1nn[n-]n1 ZINC001593305719 1174059100 /nfs/dbraw/zinc/05/91/00/1174059100.db2.gz YDMJNFIARYLSRZ-UHFFFAOYSA-N -1 1 293.333 1.742 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1ccccc1F ZINC001593302052 1174060344 /nfs/dbraw/zinc/06/03/44/1174060344.db2.gz UNXDKYWSKNISPR-UHFFFAOYSA-N -1 1 299.265 1.758 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1ccccc1F ZINC001593302052 1174060347 /nfs/dbraw/zinc/06/03/47/1174060347.db2.gz UNXDKYWSKNISPR-UHFFFAOYSA-N -1 1 299.265 1.758 20 0 CDADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CCCCN1 ZINC001593315123 1174062513 /nfs/dbraw/zinc/06/25/13/1174062513.db2.gz GFJYRPYZWKTWLX-UHFFFAOYSA-N -1 1 297.322 1.089 20 0 CDADMM O=c1c(-c2nn[n-]n2)cncn1CCC1CCCC1 ZINC001593494194 1174088193 /nfs/dbraw/zinc/08/81/93/1174088193.db2.gz JMWSNWALQUEHQZ-UHFFFAOYSA-N -1 1 260.301 1.004 20 0 CDADMM OCc1ccc(CCNc2cccnc2-c2nnn[n-]2)cc1 ZINC001593534935 1174108070 /nfs/dbraw/zinc/10/80/70/1174108070.db2.gz IEVKBXYUOVBTRH-UHFFFAOYSA-N -1 1 296.334 1.409 20 0 CDADMM OCc1ccc(CCNc2cccnc2-c2nn[n-]n2)cc1 ZINC001593534935 1174108074 /nfs/dbraw/zinc/10/80/74/1174108074.db2.gz IEVKBXYUOVBTRH-UHFFFAOYSA-N -1 1 296.334 1.409 20 0 CDADMM Oc1cccc(Sc2ncncc2-c2nnn[n-]2)c1 ZINC001593539553 1174109256 /nfs/dbraw/zinc/10/92/56/1174109256.db2.gz AMRORZJUNRALNK-UHFFFAOYSA-N -1 1 272.293 1.514 20 0 CDADMM Oc1cccc(Sc2ncncc2-c2nn[n-]n2)c1 ZINC001593539553 1174109261 /nfs/dbraw/zinc/10/92/61/1174109261.db2.gz AMRORZJUNRALNK-UHFFFAOYSA-N -1 1 272.293 1.514 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CN1OC2CCC1CC2 ZINC001593551958 1174124136 /nfs/dbraw/zinc/12/41/36/1174124136.db2.gz UYPAZGIEOBPIRM-UHFFFAOYSA-N -1 1 261.285 1.518 20 0 CDADMM c1coc([C@@H]2C[C@H]2Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001593560451 1174135832 /nfs/dbraw/zinc/13/58/32/1174135832.db2.gz AWGZJZRYDKNPGZ-PSASIEDQSA-N -1 1 268.280 1.823 20 0 CDADMM c1coc([C@@H]2C[C@H]2Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001593560451 1174135835 /nfs/dbraw/zinc/13/58/35/1174135835.db2.gz AWGZJZRYDKNPGZ-PSASIEDQSA-N -1 1 268.280 1.823 20 0 CDADMM c1nc(Sc2cc(-c3nnn[n-]3)ncn2)n2ccccc12 ZINC001593581981 1174147845 /nfs/dbraw/zinc/14/78/45/1174147845.db2.gz ABCPSTLLYAVCGW-UHFFFAOYSA-N -1 1 296.319 1.456 20 0 CDADMM c1nc(Sc2cc(-c3nn[n-]n3)ncn2)n2ccccc12 ZINC001593581981 1174147848 /nfs/dbraw/zinc/14/78/48/1174147848.db2.gz ABCPSTLLYAVCGW-UHFFFAOYSA-N -1 1 296.319 1.456 20 0 CDADMM c1[nH]nc(NCc2cccc3cccnc32)c1-c1nnn[n-]1 ZINC001593587390 1174153141 /nfs/dbraw/zinc/15/31/41/1174153141.db2.gz JDHHRRBJDQLQHK-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1[nH]nc(NCc2cccc3cccnc32)c1-c1nn[n-]n1 ZINC001593587390 1174153143 /nfs/dbraw/zinc/15/31/43/1174153143.db2.gz JDHHRRBJDQLQHK-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1cc(Nc2ncncc2-c2nn[n-]n2)cc2c1CCC2 ZINC001593594991 1174164367 /nfs/dbraw/zinc/16/43/67/1174164367.db2.gz KXNFYWYURMFAPX-UHFFFAOYSA-N -1 1 279.307 1.889 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NC[C@@H]2C[C@H]2C2CCCC2)n1 ZINC001593595148 1174165967 /nfs/dbraw/zinc/16/59/67/1174165967.db2.gz OGXPSSBJBDMCHY-QWRGUYRKSA-N -1 1 285.355 1.895 20 0 CDADMM Cc1cc(CNC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)n[nH]1 ZINC001600198565 1174403646 /nfs/dbraw/zinc/40/36/46/1174403646.db2.gz OIAZAGNSGMUMQI-CZUORRHYSA-N -1 1 299.330 1.593 20 0 CDADMM Cc1ccc(NC(=O)CN(C)CC2(C(=O)[O-])CC2)cc1 ZINC001600447226 1174478375 /nfs/dbraw/zinc/47/83/75/1174478375.db2.gz PBECNOMSUZTADC-UHFFFAOYSA-N -1 1 276.336 1.730 20 0 CDADMM CCOc1ccccc1-c1noc(Cc2nnn[n-]2)n1 ZINC000095176583 1174506915 /nfs/dbraw/zinc/50/69/15/1174506915.db2.gz IPGSIJJPVUEDKJ-UHFFFAOYSA-N -1 1 272.268 1.239 20 0 CDADMM CCOc1ccccc1-c1noc(Cc2nn[n-]n2)n1 ZINC000095176583 1174506928 /nfs/dbraw/zinc/50/69/28/1174506928.db2.gz IPGSIJJPVUEDKJ-UHFFFAOYSA-N -1 1 272.268 1.239 20 0 CDADMM Cc1ccnc(-c2noc(CN(C)C[C@H](C)C(=O)[O-])n2)c1 ZINC001600597827 1174520964 /nfs/dbraw/zinc/52/09/64/1174520964.db2.gz SILVOLIFPWEZDS-JTQLQIEISA-N -1 1 290.323 1.593 20 0 CDADMM Cc1cc(-c2noc(Cc3nnn[n-]3)n2)ccc1F ZINC000095330752 1174524941 /nfs/dbraw/zinc/52/49/41/1174524941.db2.gz ZGAXMAFCMCPTQX-UHFFFAOYSA-N -1 1 260.232 1.288 20 0 CDADMM Cc1cc(-c2noc(Cc3nn[n-]n3)n2)ccc1F ZINC000095330752 1174524947 /nfs/dbraw/zinc/52/49/47/1174524947.db2.gz ZGAXMAFCMCPTQX-UHFFFAOYSA-N -1 1 260.232 1.288 20 0 CDADMM Cc1nc([C@@H]2CCN(Cc3cc(C(=O)[O-])c(C)o3)C2)no1 ZINC001600697095 1174568248 /nfs/dbraw/zinc/56/82/48/1174568248.db2.gz PTSSHUUKEQWOHA-SNVBAGLBSA-N -1 1 291.307 1.967 20 0 CDADMM Cc1nc([C@H]2CCN(Cc3cc(C(=O)[O-])c(C)[nH]3)C2)no1 ZINC001600696841 1174568522 /nfs/dbraw/zinc/56/85/22/1174568522.db2.gz KLPYUXGUBYRHGM-JTQLQIEISA-N -1 1 290.323 1.702 20 0 CDADMM Cn1cc(NC(=O)c2cc(C(F)F)n[nH]2)cc1C(=O)[O-] ZINC001600966010 1174684353 /nfs/dbraw/zinc/68/43/53/1174684353.db2.gz DGZHAFGALOTUNN-UHFFFAOYSA-N -1 1 284.222 1.636 20 0 CDADMM Cn1nccc1C1=CCN(Cc2c[nH]c(C(=O)[O-])c2)CC1 ZINC001601036631 1174711659 /nfs/dbraw/zinc/71/16/59/1174711659.db2.gz MPHHTOAJBLOKMB-UHFFFAOYSA-N -1 1 286.335 1.736 20 0 CDADMM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccoc1C(=O)[O-] ZINC001601142444 1174761761 /nfs/dbraw/zinc/76/17/61/1174761761.db2.gz YCIMBPMRTGQIHA-MIMYLULJSA-N -1 1 278.308 1.064 20 0 CDADMM NCc1nccnc1NC[C@H](C(=O)[O-])c1ccccc1 ZINC001601192438 1174784436 /nfs/dbraw/zinc/78/44/36/1174784436.db2.gz XFSVBGUAHQOZRB-NSHDSACASA-N -1 1 272.308 1.216 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)COCC3CC3)[nH]c21 ZINC001601336647 1174836390 /nfs/dbraw/zinc/83/63/90/1174836390.db2.gz GMDVHWSAFFQXLO-UHFFFAOYSA-N -1 1 289.291 1.626 20 0 CDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@H](F)c1ccccc1 ZINC001601566131 1174902193 /nfs/dbraw/zinc/90/21/93/1174902193.db2.gz XOLQIYLOMZLMAA-NWDGAFQWSA-N -1 1 291.282 1.232 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)c[nH]1 ZINC001601633160 1174918510 /nfs/dbraw/zinc/91/85/10/1174918510.db2.gz GWCCXMRTFPOZNX-UHFFFAOYSA-N -1 1 298.262 1.145 20 0 CDADMM O=C([O-])[C@H](O)C1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC001601684308 1174942959 /nfs/dbraw/zinc/94/29/59/1174942959.db2.gz JBCRPINHAGSBFY-OAHLLOKOSA-N -1 1 288.347 1.825 20 0 CDADMM O=C([O-])[C@@H](c1ccsc1)N1CCN2C(=O)OCC[C@H]2C1 ZINC001601697221 1174951057 /nfs/dbraw/zinc/95/10/57/1174951057.db2.gz MJTANFLYZCSFHB-WDEREUQCSA-N -1 1 296.348 1.400 20 0 CDADMM O=C([O-])C1=CC[C@@H](NC(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC001601734392 1174974033 /nfs/dbraw/zinc/97/40/33/1174974033.db2.gz CKMKKFIMKPXSEP-SNVBAGLBSA-N -1 1 298.298 1.431 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](O)CN1Cc1ccc(C2CCC2)cc1 ZINC001601771833 1174999232 /nfs/dbraw/zinc/99/92/32/1174999232.db2.gz HIFAHMHDKKCELT-HUUCEWRRSA-N -1 1 275.348 1.974 20 0 CDADMM O=C([O-])CC1(NCc2csc(Cl)n2)CCOCC1 ZINC001601937358 1175074961 /nfs/dbraw/zinc/07/49/61/1175074961.db2.gz OLLSJSZTEKQQPH-UHFFFAOYSA-N -1 1 290.772 1.910 20 0 CDADMM 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O=C(c1ncccc1[O-])N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000123322188 187084610 /nfs/dbraw/zinc/08/46/10/187084610.db2.gz XNWKEPFRLALRQF-OIBJUYFYSA-N -1 1 290.241 1.315 20 0 CDADMM CC[C@@H](NC(=O)c1ccc([O-])c(F)c1)[C@@H](O)C(F)(F)F ZINC000681063244 482677984 /nfs/dbraw/zinc/67/79/84/482677984.db2.gz RTUGUMULAKROOE-PSASIEDQSA-N -1 1 295.232 1.963 20 0 CDADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CC2CCC2)c1 ZINC000292177905 198192155 /nfs/dbraw/zinc/19/21/55/198192155.db2.gz JDGDQXDFFDUYEJ-UHFFFAOYSA-N -1 1 298.364 1.429 20 0 CDADMM COc1cccc(OC)c1SCc1nn[n-]n1 ZINC000276638636 366085594 /nfs/dbraw/zinc/08/55/94/366085594.db2.gz PBANQYKVAOSDOP-UHFFFAOYSA-N -1 1 252.299 1.509 20 0 CDADMM CCC[C@H](NC(=O)C=Cc1cncc(C)c1)c1nn[n-]n1 ZINC000152568659 188029082 /nfs/dbraw/zinc/02/90/82/188029082.db2.gz BHSPHAVSZOIRBU-FYJFLYSWSA-N -1 1 286.339 1.574 20 0 CDADMM CCC[C@@H](NC(=O)c1ccc(F)cc1C)c1nn[n-]n1 ZINC000153927156 188112297 /nfs/dbraw/zinc/11/22/97/188112297.db2.gz GQACYMMKDFPUOK-LLVKDONJSA-N -1 1 277.303 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Cc1nnc(NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)[nH]1 ZINC000701529195 604306169 /nfs/dbraw/zinc/30/61/69/604306169.db2.gz MKWUMGHSZHPQPO-UHFFFAOYSA-N -1 1 263.257 1.009 20 0 CDADMM Cc1n[nH]c(NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)n1 ZINC000701529195 604306172 /nfs/dbraw/zinc/30/61/72/604306172.db2.gz MKWUMGHSZHPQPO-UHFFFAOYSA-N -1 1 263.257 1.009 20 0 CDADMM C/C(=C\CN1CCN(Cc2cccc(F)c2)CC1)C(=O)[O-] ZINC000825746688 604371539 /nfs/dbraw/zinc/37/15/39/604371539.db2.gz JYDPVEYUZHFCEI-WLRTZDKTSA-N -1 1 292.354 1.974 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)[C@@H](C)CN1C ZINC000820244244 604577751 /nfs/dbraw/zinc/57/77/51/604577751.db2.gz AAMCDDYLOSIQEI-QWRGUYRKSA-N -1 1 276.336 1.549 20 0 CDADMM CCc1ncc(CN2CCC([C@@H](O)C(=O)[O-])CC2)s1 ZINC000833677090 604760158 /nfs/dbraw/zinc/76/01/58/604760158.db2.gz CFEDPAQWTNRWBL-GFCCVEGCSA-N -1 1 284.381 1.363 20 0 CDADMM C[C@@H]1[C@H](C)N(C(=O)c2cccc(NC(=O)[O-])c2)CCN1C ZINC000833588234 604838818 /nfs/dbraw/zinc/83/88/18/604838818.db2.gz 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605105430 /nfs/dbraw/zinc/10/54/30/605105430.db2.gz KOGHTVKKIFZKBX-RMRHIDDWSA-N -1 1 294.395 1.430 20 0 CDADMM CCN1C[C@H](C)N(C(=O)c2ccnc(C(=O)[O-])c2)C[C@H]1C ZINC000833659240 605136421 /nfs/dbraw/zinc/13/64/21/605136421.db2.gz ZTFSAKFHPXBSQB-MNOVXSKESA-N -1 1 291.351 1.335 20 0 CDADMM Cc1cc(CN2CCOCC[C@@H]2C)oc1C(=O)[O-] ZINC000833745471 605206395 /nfs/dbraw/zinc/20/63/95/605206395.db2.gz JWEMGHTXIIDJLC-JTQLQIEISA-N -1 1 253.298 1.897 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CN2CC[C@@H](C)[C@H](F)C2)O1 ZINC000833584819 605391309 /nfs/dbraw/zinc/39/13/09/605391309.db2.gz RMAKRSXLWKGLAJ-HLUHBDAQSA-N -1 1 257.305 1.814 20 0 CDADMM C[C@@H]1[C@@H](C)N(C(=O)Nc2ccc(C(=O)[O-])cc2)CCN1C ZINC000833585069 605507993 /nfs/dbraw/zinc/50/79/93/605507993.db2.gz ZNNXIJGCFBWWCT-GHMZBOCLSA-N -1 1 291.351 1.941 20 0 CDADMM O=C([O-])Nc1ccccc1C(=O)NCc1cnc[nH]1 ZINC000833287613 605702213 /nfs/dbraw/zinc/70/22/13/605702213.db2.gz KLIFMCNEOVMKCV-UHFFFAOYSA-N -1 1 260.253 1.430 20 0 CDADMM C[C@@H]1CN(C(=O)c2cccc(O)c2)CCN1CCC(=O)[O-] ZINC000833623410 605766704 /nfs/dbraw/zinc/76/67/04/605766704.db2.gz QAZBKIHTXNITTD-LLVKDONJSA-N -1 1 292.335 1.013 20 0 CDADMM C[C@@H]1C[C@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000820668423 606064933 /nfs/dbraw/zinc/06/49/33/606064933.db2.gz SGAICBDJWVHNJI-HTQZYQBOSA-N -1 1 289.343 1.413 20 0 CDADMM C[C@@H]1C[C@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000820668423 606064935 /nfs/dbraw/zinc/06/49/35/606064935.db2.gz SGAICBDJWVHNJI-HTQZYQBOSA-N -1 1 289.343 1.413 20 0 CDADMM Cc1cc(COC(=O)c2ccc(-c3nnn[n-]3)s2)no1 ZINC000822201146 606139616 /nfs/dbraw/zinc/13/96/16/606139616.db2.gz SKURPHGPSOFGPK-UHFFFAOYSA-N -1 1 291.292 1.582 20 0 CDADMM Cc1cc(COC(=O)c2ccc(-c3nn[n-]n3)s2)no1 ZINC000822201146 606139617 /nfs/dbraw/zinc/13/96/17/606139617.db2.gz SKURPHGPSOFGPK-UHFFFAOYSA-N -1 1 291.292 1.582 20 0 CDADMM CC(C)OCCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820142717 606297550 /nfs/dbraw/zinc/29/75/50/606297550.db2.gz SOPSIQIHRCPVEK-UHFFFAOYSA-N -1 1 291.311 1.326 20 0 CDADMM O=C(OC[C@H]1CCCCO1)c1ccc(-c2nnn[n-]2)s1 ZINC000823397378 606489898 /nfs/dbraw/zinc/48/98/98/606489898.db2.gz WGSRVVISIOMRRW-MRVPVSSYSA-N -1 1 294.336 1.654 20 0 CDADMM O=C(OC[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)s1 ZINC000823397378 606489899 /nfs/dbraw/zinc/48/98/99/606489899.db2.gz WGSRVVISIOMRRW-MRVPVSSYSA-N -1 1 294.336 1.654 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000820390790 606494962 /nfs/dbraw/zinc/49/49/62/606494962.db2.gz KOGYHASXPPVATL-ZCFIWIBFSA-N -1 1 263.326 1.457 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000820390790 606494964 /nfs/dbraw/zinc/49/49/64/606494964.db2.gz KOGYHASXPPVATL-ZCFIWIBFSA-N -1 1 263.326 1.457 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1CC=CC1 ZINC000823436186 606648626 /nfs/dbraw/zinc/64/86/26/606648626.db2.gz LNIOPVKUSKVDOX-UHFFFAOYSA-N -1 1 271.280 1.271 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1CC=CC1 ZINC000823436186 606648627 /nfs/dbraw/zinc/64/86/27/606648627.db2.gz LNIOPVKUSKVDOX-UHFFFAOYSA-N -1 1 271.280 1.271 20 0 CDADMM COC(=O)/C(C)=C/COc1cccc(F)c1-c1nnn[n-]1 ZINC000826098654 607864500 /nfs/dbraw/zinc/86/45/00/607864500.db2.gz KXZFCHATBZPIHM-SOFGYWHQSA-N -1 1 292.270 1.504 20 0 CDADMM COC(=O)/C(C)=C/COc1cccc(F)c1-c1nn[n-]n1 ZINC000826098654 607864501 /nfs/dbraw/zinc/86/45/01/607864501.db2.gz KXZFCHATBZPIHM-SOFGYWHQSA-N -1 1 292.270 1.504 20 0 CDADMM Cc1nc(C)c(CNc2cccc(-c3nnn[n-]3)n2)s1 ZINC000826324254 607901083 /nfs/dbraw/zinc/90/10/83/607901083.db2.gz JXSBVAPZRNQSMY-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1nc(C)c(CNc2cccc(-c3nn[n-]n3)n2)s1 ZINC000826324254 607901084 /nfs/dbraw/zinc/90/10/84/607901084.db2.gz JXSBVAPZRNQSMY-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1n[nH]cc1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000826322663 608181307 /nfs/dbraw/zinc/18/13/07/608181307.db2.gz WHDQXNYOKHQQJU-UHFFFAOYSA-N -1 1 282.720 1.752 20 0 CDADMM Cc1n[nH]cc1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000826322663 608181309 /nfs/dbraw/zinc/18/13/09/608181309.db2.gz WHDQXNYOKHQQJU-UHFFFAOYSA-N -1 1 282.720 1.752 20 0 CDADMM CC(C)(C)SCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000824124177 608411404 /nfs/dbraw/zinc/41/14/04/608411404.db2.gz PATXUQJVCYCVPO-UHFFFAOYSA-N -1 1 279.373 1.600 20 0 CDADMM CC(C)(C)SCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000824124177 608411405 /nfs/dbraw/zinc/41/14/05/608411405.db2.gz PATXUQJVCYCVPO-UHFFFAOYSA-N -1 1 279.373 1.600 20 0 CDADMM CSCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826228128 608421702 /nfs/dbraw/zinc/42/17/02/608421702.db2.gz FVVLQFQSJRQTKA-SSDOTTSWSA-N -1 1 265.346 1.210 20 0 CDADMM CSCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826228128 608421704 /nfs/dbraw/zinc/42/17/04/608421704.db2.gz FVVLQFQSJRQTKA-SSDOTTSWSA-N -1 1 265.346 1.210 20 0 CDADMM CCc1ccccc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000825721867 608422582 /nfs/dbraw/zinc/42/25/82/608422582.db2.gz BICWFSUDZXBRCR-UHFFFAOYSA-N -1 1 281.323 1.831 20 0 CDADMM CCc1ccccc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000825721867 608422584 /nfs/dbraw/zinc/42/25/84/608422584.db2.gz BICWFSUDZXBRCR-UHFFFAOYSA-N -1 1 281.323 1.831 20 0 CDADMM CCSCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825673762 608426358 /nfs/dbraw/zinc/42/63/58/608426358.db2.gz AVUYSSXLYDTPCV-MRVPVSSYSA-N -1 1 279.373 1.600 20 0 CDADMM CCSCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825673762 608426359 /nfs/dbraw/zinc/42/63/59/608426359.db2.gz AVUYSSXLYDTPCV-MRVPVSSYSA-N -1 1 279.373 1.600 20 0 CDADMM CN1CCc2ccc(Nc3nccnc3-c3nnn[n-]3)cc21 ZINC000826045439 608587268 /nfs/dbraw/zinc/58/72/68/608587268.db2.gz VZCCLVKLPABIJY-UHFFFAOYSA-N -1 1 294.322 1.393 20 0 CDADMM CN1CCc2ccc(Nc3nccnc3-c3nn[n-]n3)cc21 ZINC000826045439 608587269 /nfs/dbraw/zinc/58/72/69/608587269.db2.gz VZCCLVKLPABIJY-UHFFFAOYSA-N -1 1 294.322 1.393 20 0 CDADMM Cc1nc(CCn2ccnc2-c2nnn[n-]2)cs1 ZINC000826325528 608892301 /nfs/dbraw/zinc/89/23/01/608892301.db2.gz ATWQLKRXPJNQDG-UHFFFAOYSA-N -1 1 261.314 1.071 20 0 CDADMM Cc1nc(CCn2ccnc2-c2nn[n-]n2)cs1 ZINC000826325528 608892302 /nfs/dbraw/zinc/89/23/02/608892302.db2.gz ATWQLKRXPJNQDG-UHFFFAOYSA-N -1 1 261.314 1.071 20 0 CDADMM Cc1cc(F)ccc1CNc1n[nH]cc1-c1nnn[n-]1 ZINC000826268603 609488819 /nfs/dbraw/zinc/48/88/19/609488819.db2.gz FOQURJVZYQLMDW-UHFFFAOYSA-N -1 1 273.275 1.649 20 0 CDADMM Cc1cc(F)ccc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC000826268603 609488820 /nfs/dbraw/zinc/48/88/20/609488820.db2.gz FOQURJVZYQLMDW-UHFFFAOYSA-N -1 1 273.275 1.649 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCC[C@H]2CCCCO2)n1 ZINC000826525186 609582565 /nfs/dbraw/zinc/58/25/65/609582565.db2.gz ZQLODWMZHSZBTE-SECBINFHSA-N -1 1 275.316 1.028 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCC[C@H]2CCCCO2)n1 ZINC000826525186 609582567 /nfs/dbraw/zinc/58/25/67/609582567.db2.gz ZQLODWMZHSZBTE-SECBINFHSA-N -1 1 275.316 1.028 20 0 CDADMM C[C@@H]1OCC[C@@]1(C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000825012943 609593704 /nfs/dbraw/zinc/59/37/04/609593704.db2.gz MNQWDDNKXRYAPM-QPUJVOFHSA-N -1 1 260.301 1.241 20 0 CDADMM C[C@@H]1OCC[C@@]1(C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000825012943 609593702 /nfs/dbraw/zinc/59/37/02/609593702.db2.gz MNQWDDNKXRYAPM-QPUJVOFHSA-N -1 1 260.301 1.241 20 0 CDADMM COCc1nc(NCC[C@H]2CCOC2)cc(=O)[n-]1 ZINC000893144689 617408354 /nfs/dbraw/zinc/40/83/54/617408354.db2.gz UDVBFAUIAWZEML-VIFPVBQESA-N -1 1 253.302 1.167 20 0 CDADMM CC(=O)N1CCC[C@H](CN(C)C(=O)c2ncccc2[O-])C1 ZINC000965744949 613865613 /nfs/dbraw/zinc/86/56/13/613865613.db2.gz SXGYMEPGGABBAH-GFCCVEGCSA-N -1 1 291.351 1.118 20 0 CDADMM Cc1cnc(C(=O)NC[C@H]2CC3(CCC3)CO2)c([O-])c1 ZINC000924115523 617496022 /nfs/dbraw/zinc/49/60/22/617496022.db2.gz APJSCJCGNFEHLR-LLVKDONJSA-N -1 1 276.336 1.785 20 0 CDADMM COc1ccc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)o1 ZINC000891614608 617502865 /nfs/dbraw/zinc/50/28/65/617502865.db2.gz NJKOYAVTGJJJQP-UHFFFAOYSA-N -1 1 289.291 1.915 20 0 CDADMM CO[C@H]1CC[C@@H](C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)C1 ZINC000891616208 617504975 /nfs/dbraw/zinc/50/49/75/617504975.db2.gz WLVXCPZSUYBJTK-ZJUUUORDSA-N -1 1 291.351 1.815 20 0 CDADMM C[C@H]1C[C@H](C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CCO1 ZINC000891618322 617506991 /nfs/dbraw/zinc/50/69/91/617506991.db2.gz OYLUKKUXMCKUBL-VHSXEESVSA-N -1 1 291.351 1.815 20 0 CDADMM CSC=CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891622512 617508600 /nfs/dbraw/zinc/50/86/00/617508600.db2.gz PFWZQENVLGNNIH-VOTSOKGWSA-N -1 1 265.338 1.876 20 0 CDADMM COCc1nc(NC[C@](C)(O)c2ccsc2)cc(=O)[n-]1 ZINC000892655510 617564708 /nfs/dbraw/zinc/56/47/08/617564708.db2.gz YCLKPZKKHDLOQF-ZDUSSCGKSA-N -1 1 295.364 1.710 20 0 CDADMM COCc1nc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc(=O)[n-]1 ZINC000892657811 617565672 /nfs/dbraw/zinc/56/56/72/617565672.db2.gz BOPWAWORZVDBEH-CKLFPEKLSA-N -1 1 279.340 1.554 20 0 CDADMM COC(=O)c1ccc(C(=O)O[C@@H](C)c2nnc(C)[nH]2)[n-]1 ZINC000840577864 617589963 /nfs/dbraw/zinc/58/99/63/617589963.db2.gz PUKRKOYYCBJGKH-LURJTMIESA-N -1 1 278.268 1.146 20 0 CDADMM COC(=O)c1ccc(C(=O)O[C@@H](C)c2n[nH]c(C)n2)[n-]1 ZINC000840577864 617589967 /nfs/dbraw/zinc/58/99/67/617589967.db2.gz PUKRKOYYCBJGKH-LURJTMIESA-N -1 1 278.268 1.146 20 0 CDADMM CCCCC[C@@H](C)NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000035084057 620835342 /nfs/dbraw/zinc/83/53/42/620835342.db2.gz JQEPFTJYAHJQSX-OLZOCXBDSA-N -1 1 284.400 1.868 20 0 CDADMM C[C@@H](CCCc1ccccc1)C(=O)N(C)c1nn[n-]n1 ZINC000892954515 617976994 /nfs/dbraw/zinc/97/69/94/617976994.db2.gz KDRRCLQMASNWFA-NSHDSACASA-N -1 1 273.340 1.822 20 0 CDADMM O=c1nc(N2CC3(C2)CCOCC3)cc(Cl)[n-]1 ZINC000893941885 618206612 /nfs/dbraw/zinc/20/66/12/618206612.db2.gz WDVHTXIVDOFVQD-UHFFFAOYSA-N -1 1 255.705 1.452 20 0 CDADMM O=C(N[C@@H]1C[C@H]1c1ccco1)c1cnc(C2CC2)[n-]c1=O ZINC000910566979 618265337 /nfs/dbraw/zinc/26/53/37/618265337.db2.gz JYPFREYBLJMIFX-MWLCHTKSSA-N -1 1 285.303 1.939 20 0 CDADMM Cc1ccc(CN[C@H](C(=O)[O-])[C@H]2CCCOC2)o1 ZINC000901835204 618285694 /nfs/dbraw/zinc/28/56/94/618285694.db2.gz ZIABFRDTCXXPGI-JQWIXIFHSA-N -1 1 253.298 1.557 20 0 CDADMM C[C@@H]1CN(Cc2cccc3n[nH]cc32)C[C@H](C(=O)[O-])O1 ZINC000901909103 618362614 /nfs/dbraw/zinc/36/26/14/618362614.db2.gz FNBRNCIDESQXPP-NOZJJQNGSA-N -1 1 275.308 1.237 20 0 CDADMM COc1cc(F)cc(OC)c1CN(C)[C@H](C)C(=O)[O-] ZINC000901981009 618454895 /nfs/dbraw/zinc/45/48/95/618454895.db2.gz UUFVNNKEQTWCTF-MRVPVSSYSA-N -1 1 271.288 1.748 20 0 CDADMM O=C([O-])CC1(NC(=O)c2cc3[nH]cnc3cc2F)CCC1 ZINC000902005902 618480737 /nfs/dbraw/zinc/48/07/37/618480737.db2.gz HDHSFICLLCNZBI-UHFFFAOYSA-N -1 1 291.282 1.829 20 0 CDADMM C[C@H](CO)CCCNc1cccc(-c2nnn[n-]2)n1 ZINC000824441678 618571039 /nfs/dbraw/zinc/57/10/39/618571039.db2.gz RAZWEORNTGJGGC-VIFPVBQESA-N -1 1 262.317 1.082 20 0 CDADMM C[C@H](CO)CCCNc1cccc(-c2nn[n-]n2)n1 ZINC000824441678 618571046 /nfs/dbraw/zinc/57/10/46/618571046.db2.gz RAZWEORNTGJGGC-VIFPVBQESA-N -1 1 262.317 1.082 20 0 CDADMM C[C@@]1(C(=O)[O-])CCCN1C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000902117295 618597579 /nfs/dbraw/zinc/59/75/79/618597579.db2.gz UCLDEMQZKRRNKL-XPTSAGLGSA-N -1 1 277.324 1.295 20 0 CDADMM CN(CCCC(=O)Nc1ncc(C(F)(F)F)[nH]1)C(=O)[O-] ZINC000828285426 618617861 /nfs/dbraw/zinc/61/78/61/618617861.db2.gz OPHODUYQXPOKPP-UHFFFAOYSA-N -1 1 294.233 1.757 20 0 CDADMM CON(C)C(=O)C[N-]c1nnc(-c2cccc(Cl)c2)o1 ZINC000894245796 618751172 /nfs/dbraw/zinc/75/11/72/618751172.db2.gz GEBVKQPRWAXOLF-UHFFFAOYSA-N -1 1 296.714 1.822 20 0 CDADMM O=C(CCCc1nn[n-]n1)N[C@@H]1CCCc2ccccc2C1 ZINC000888245247 619118988 /nfs/dbraw/zinc/11/89/88/619118988.db2.gz BHJGKGNSZSCMOR-CQSZACIVSA-N -1 1 299.378 1.586 20 0 CDADMM COc1ccc(-c2nc(CCC[S@@](C)=O)no2)c([O-])c1 ZINC000896372235 620076655 /nfs/dbraw/zinc/07/66/55/620076655.db2.gz JXXOZSMERSQXRM-HXUWFJFHSA-N -1 1 296.348 1.762 20 0 CDADMM COCc1cc(NC(=O)[C@H](C)N(C)C)cc(C(=O)[O-])c1 ZINC000909626846 620519801 /nfs/dbraw/zinc/51/98/01/620519801.db2.gz MOZGVTVNVMRUET-VIFPVBQESA-N -1 1 280.324 1.420 20 0 CDADMM CCC[C@@H](C)NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000035083985 620835484 /nfs/dbraw/zinc/83/54/84/620835484.db2.gz YWZBOYIBYHTTAX-MNOVXSKESA-N -1 1 256.346 1.088 20 0 CDADMM CC(C)C(=O)Nc1cc(C(=O)OC(C)(C)C)[nH]n1 ZINC000898097876 621333902 /nfs/dbraw/zinc/33/39/02/621333902.db2.gz RHRVIIICIANKFT-UHFFFAOYSA-N -1 1 253.302 1.960 20 0 CDADMM CC[C@@H](C(=O)NCc1nc([O-])cc(=O)[nH]1)c1ccccc1 ZINC000898749912 621863851 /nfs/dbraw/zinc/86/38/51/621863851.db2.gz DXTIKSCBVOMQHG-LLVKDONJSA-N -1 1 287.319 1.698 20 0 CDADMM CC[C@@H](CC(=O)NCc1nc([O-])cc(=O)[nH]1)C(C)C ZINC000898754902 621865953 /nfs/dbraw/zinc/86/59/53/621865953.db2.gz ZLXQUIYJSAIYBB-VIFPVBQESA-N -1 1 267.329 1.576 20 0 CDADMM Cc1nn(C)cc1CC(=O)[N-]OCc1cccc(C)n1 ZINC000898930582 621955564 /nfs/dbraw/zinc/95/55/64/621955564.db2.gz KTODOTXAUYCHMH-UHFFFAOYSA-N -1 1 274.324 1.222 20 0 CDADMM CO[C@H](CC(=O)[N-]OCc1cccc(C)n1)C(F)(F)F ZINC000898931435 621969357 /nfs/dbraw/zinc/96/93/57/621969357.db2.gz RQUMUUADYUOFGV-SNVBAGLBSA-N -1 1 292.257 1.905 20 0 CDADMM Cc1[n-]n(-c2cc(Cl)nc(N)n2)c(=O)c1C(C)C ZINC000899352281 622196819 /nfs/dbraw/zinc/19/68/19/622196819.db2.gz DUTRPZCWNLMSJE-SECBINFHSA-N -1 1 267.720 1.707 20 0 CDADMM O=C(c1c([O-])cccc1Cl)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000899393761 622228796 /nfs/dbraw/zinc/22/87/96/622228796.db2.gz QHTUPXBECPOUEH-WCABBAIRSA-N -1 1 281.739 1.889 20 0 CDADMM O=C(NCC1(O)CCCC1)c1cnc(C2CC2)[n-]c1=O ZINC000900699068 623383845 /nfs/dbraw/zinc/38/38/45/623383845.db2.gz IZGJDXDFOKNXON-UHFFFAOYSA-N -1 1 277.324 1.095 20 0 CDADMM C[C@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@H]1C ZINC000900895397 623617097 /nfs/dbraw/zinc/61/70/97/623617097.db2.gz OWARJPVZNCQNOL-DTORHVGOSA-N -1 1 261.325 1.788 20 0 CDADMM O=C([O-])c1cccc(N2CCN(C[C@@H]3CCCO3)CC2)n1 ZINC000900985559 623758587 /nfs/dbraw/zinc/75/85/87/623758587.db2.gz MLXDZBVMJYPCJH-LBPRGKRZSA-N -1 1 291.351 1.081 20 0 CDADMM C[C@@H]1COCCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000901201867 623994214 /nfs/dbraw/zinc/99/42/14/623994214.db2.gz WJEHPTRLUROFSM-VIFPVBQESA-N -1 1 277.324 1.168 20 0 CDADMM O=C([O-])C1(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCCC1 ZINC000901434150 624245990 /nfs/dbraw/zinc/24/59/90/624245990.db2.gz QSPTUSNUDFURCE-RKDXNWHRSA-N -1 1 263.297 1.027 20 0 CDADMM C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)NC(C)(C)CCC(=O)[O-] ZINC000901444702 624255142 /nfs/dbraw/zinc/25/51/42/624255142.db2.gz HYCPEGPIBOZUDT-ZANVPECISA-N -1 1 293.367 1.835 20 0 CDADMM CCCN(CC(=O)[O-])C(=O)c1cccc2[nH]c(C)nc21 ZINC000901490966 624293227 /nfs/dbraw/zinc/29/32/27/624293227.db2.gz KNKGTDJPWHIMTN-UHFFFAOYSA-N -1 1 275.308 1.808 20 0 CDADMM C[C@H](NCc1cc(Cl)cs1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000901740869 624431392 /nfs/dbraw/zinc/43/13/92/624431392.db2.gz GYHORJRPPXIRDY-BQBZGAKWSA-N -1 1 290.772 1.469 20 0 CDADMM CSc1ccc(CN[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000901742311 624432504 /nfs/dbraw/zinc/43/25/04/624432504.db2.gz UEIRHTVIOAPYGF-UWVGGRQHSA-N -1 1 296.392 1.476 20 0 CDADMM O=C([O-])Cn1cc(CNCCC2=CCCCCC2)nn1 ZINC000902439016 624810334 /nfs/dbraw/zinc/81/03/34/624810334.db2.gz VCNUDYJKAUJTFU-UHFFFAOYSA-N -1 1 278.356 1.733 20 0 CDADMM O=C([O-])C[C@H]1COCCN1C[C@@H]1CCCC2(CCC2)O1 ZINC000903900547 626138704 /nfs/dbraw/zinc/13/87/04/626138704.db2.gz LACONQQJZRYTAR-STQMWFEESA-N -1 1 283.368 1.654 20 0 CDADMM O=C([O-])[C@]12C[C@H]1CCC[N@H+]2CC[S@](=O)c1ccccc1 ZINC000903935991 626153775 /nfs/dbraw/zinc/15/37/75/626153775.db2.gz CFEZEBVRLUXXFV-RAJNIJHNSA-N -1 1 293.388 1.733 20 0 CDADMM CO[C@H](C)CN1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000903959188 626158942 /nfs/dbraw/zinc/15/89/42/626158942.db2.gz XZPOPDDDWHVXES-SNVBAGLBSA-N -1 1 265.309 1.614 20 0 CDADMM Cc1cn[nH]c1CN[C@H](C(=O)[O-])c1ccccc1C ZINC000904032662 626180655 /nfs/dbraw/zinc/18/06/55/626180655.db2.gz OHNDESQFZWZXOD-ZDUSSCGKSA-N -1 1 259.309 1.942 20 0 CDADMM C[C@H](N[C@H]1C[C@H](NC(=O)[O-])C12CCC2)c1ncnn1C ZINC000904234441 626230827 /nfs/dbraw/zinc/23/08/27/626230827.db2.gz LJAKNPOZWNLGCG-GUBZILKMSA-N -1 1 279.344 1.045 20 0 CDADMM Cn1nc(C2CC2)cc1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000904935566 626368151 /nfs/dbraw/zinc/36/81/51/626368151.db2.gz AHZQJAJUDOWCDA-UHFFFAOYSA-N -1 1 296.334 1.205 20 0 CDADMM CN(C)c1ccnc(CNC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)c1 ZINC000905129019 626644522 /nfs/dbraw/zinc/64/45/22/626644522.db2.gz 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COc1cccc(F)c1Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001170218318 1162302840 /nfs/dbraw/zinc/30/28/40/1162302840.db2.gz UVFSDHPPHIVRDH-UHFFFAOYSA-N -1 1 291.242 1.607 20 0 CDADMM O=C1OCc2cc(Nc3[n-]c(=O)nc4nc[nH]c43)ccc21 ZINC001170233162 1162308794 /nfs/dbraw/zinc/30/87/94/1162308794.db2.gz KWSPYNQIBISINV-UHFFFAOYSA-N -1 1 283.247 1.473 20 0 CDADMM Cc1ccnc(C)c1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170234689 1162310045 /nfs/dbraw/zinc/31/00/45/1162310045.db2.gz VZUYRQBNLJJEDE-UHFFFAOYSA-N -1 1 256.269 1.814 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2ncc3cc[nH]c3n2)[n-]1 ZINC001170227108 1162316200 /nfs/dbraw/zinc/31/62/00/1162316200.db2.gz YZEXIFJYWPCVIV-UHFFFAOYSA-N -1 1 268.240 1.025 20 0 CDADMM Cn1cnc2cnc(Nc3[n-]c(=O)nc4nc[nH]c43)cc21 ZINC001170226555 1162316213 /nfs/dbraw/zinc/31/62/13/1162316213.db2.gz OCTYZEVIKLMCRC-UHFFFAOYSA-N -1 1 282.267 1.084 20 0 CDADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)[C@H]1CC1(F)F ZINC000449873125 1158558002 /nfs/dbraw/zinc/55/80/02/1158558002.db2.gz RBTMOOBMEVTLOK-SECBINFHSA-N -1 1 295.249 1.372 20 0 CDADMM CCCC[C@](C)(F)C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001604159849 1163112176 /nfs/dbraw/zinc/11/21/76/1163112176.db2.gz NJIGCSZVSYRDAS-LBPRGKRZSA-N -1 1 295.322 1.755 20 0 CDADMM CCCN(CC)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001604204858 1163124871 /nfs/dbraw/zinc/12/48/71/1163124871.db2.gz YWJZTFOSWIRSGI-UHFFFAOYSA-N -1 1 265.342 1.800 20 0 CDADMM CCOc1cc(N)n(-c2ccc(Cl)c([O-])c2)c(=N)n1 ZINC001212590428 1162009129 /nfs/dbraw/zinc/00/91/29/1162009129.db2.gz MCLZUDYFXPEILX-UHFFFAOYSA-N -1 1 280.715 1.692 20 0 CDADMM CCOC1CC2(C[C@@H]2Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001604412598 1163180864 /nfs/dbraw/zinc/18/08/64/1163180864.db2.gz WLLBONICXONRDM-SLYADPJGSA-N -1 1 287.327 1.026 20 0 CDADMM CCOC1CC2(C[C@@H]2Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001604412598 1163180868 /nfs/dbraw/zinc/18/08/68/1163180868.db2.gz WLLBONICXONRDM-SLYADPJGSA-N -1 1 287.327 1.026 20 0 CDADMM CCc1cnc(COC(=O)c2ccc(-c3nn[n-]n3)o2)o1 ZINC001604537597 1163222985 /nfs/dbraw/zinc/22/29/85/1163222985.db2.gz POOUENANSUDOBK-UHFFFAOYSA-N -1 1 289.251 1.367 20 0 CDADMM CCc1nc(C)c(CNc2ccc(-c3nnn[n-]3)nn2)o1 ZINC001604554102 1163228658 /nfs/dbraw/zinc/22/86/58/1163228658.db2.gz FGKADYBRKGKRIE-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CCc1nc(C)c(CNc2ccc(-c3nn[n-]n3)nn2)o1 ZINC001604554102 1163228663 /nfs/dbraw/zinc/22/86/63/1163228663.db2.gz FGKADYBRKGKRIE-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CCn1cc([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001604605207 1163244657 /nfs/dbraw/zinc/24/46/57/1163244657.db2.gz SPUFKEVAPGFCHY-QMMMGPOBSA-N -1 1 285.315 1.046 20 0 CDADMM CCn1cc([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001604605207 1163244663 /nfs/dbraw/zinc/24/46/63/1163244663.db2.gz SPUFKEVAPGFCHY-QMMMGPOBSA-N -1 1 285.315 1.046 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CN2CCO[C@]3(CCSC3)C2)O1 ZINC001604609478 1163247697 /nfs/dbraw/zinc/24/76/97/1163247697.db2.gz ASFYHKNANTTZEI-BXUZGUMPSA-N -1 1 299.392 1.342 20 0 CDADMM CN(C)c1ncccc1CNc1cccnc1-c1nn[n-]n1 ZINC001604705053 1163290288 /nfs/dbraw/zinc/29/02/88/1163290288.db2.gz AOQKTUYPQSSVFL-UHFFFAOYSA-N -1 1 296.338 1.335 20 0 CDADMM CN(C)c1ncccc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001604706453 1163290758 /nfs/dbraw/zinc/29/07/58/1163290758.db2.gz RDVUERSEFDJBLM-UHFFFAOYSA-N -1 1 299.294 1.173 20 0 CDADMM CN(C)c1ncccc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001604706453 1163290765 /nfs/dbraw/zinc/29/07/65/1163290765.db2.gz RDVUERSEFDJBLM-UHFFFAOYSA-N -1 1 299.294 1.173 20 0 CDADMM C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cn2)[C@H]1C(=O)[O-] ZINC001604738568 1163303047 /nfs/dbraw/zinc/30/30/47/1163303047.db2.gz SNMUPWFSPXWMIR-JOYOIKCWSA-N -1 1 278.308 1.465 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001604788303 1163326277 /nfs/dbraw/zinc/32/62/77/1163326277.db2.gz LJBGXWQZYOFCCZ-RQJABVFESA-N -1 1 294.395 1.430 20 0 CDADMM COCc1cccc(Nc2cc(-c3nnn[n-]3)nc(C)n2)c1 ZINC001605133757 1163462797 /nfs/dbraw/zinc/46/27/97/1163462797.db2.gz OZNFICSDMYCAFK-UHFFFAOYSA-N -1 1 297.322 1.855 20 0 CDADMM COCc1cccc(Nc2cc(-c3nn[n-]n3)nc(C)n2)c1 ZINC001605133757 1163462802 /nfs/dbraw/zinc/46/28/02/1163462802.db2.gz OZNFICSDMYCAFK-UHFFFAOYSA-N -1 1 297.322 1.855 20 0 CDADMM CO[C@H]1CCCC[C@@H]1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001605152766 1163469430 /nfs/dbraw/zinc/46/94/30/1163469430.db2.gz RRZNIJYTLBEPNM-UWVGGRQHSA-N -1 1 291.311 1.147 20 0 CDADMM CO[C@H]1CCCC[C@@H]1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001605152766 1163469435 /nfs/dbraw/zinc/46/94/35/1163469435.db2.gz RRZNIJYTLBEPNM-UWVGGRQHSA-N -1 1 291.311 1.147 20 0 CDADMM CSc1ccccc1Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001605390295 1163546519 /nfs/dbraw/zinc/54/65/19/1163546519.db2.gz SDWVFVKVZMMHOG-UHFFFAOYSA-N -1 1 299.359 1.799 20 0 CDADMM CCOC(=O)[C@@H](CC)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001605508454 1163591563 /nfs/dbraw/zinc/59/15/63/1163591563.db2.gz JJAIHWIMYGGUQJ-HBNTYKKESA-N -1 1 257.330 1.371 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3COC[C@@]3(C)C2)c1 ZINC001605558706 1163609980 /nfs/dbraw/zinc/60/99/80/1163609980.db2.gz WDEDMYSFCGPLAQ-IINYFYTJSA-N -1 1 286.339 1.043 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3COC[C@@]3(C)C2)c1 ZINC001605558706 1163609983 /nfs/dbraw/zinc/60/99/83/1163609983.db2.gz WDEDMYSFCGPLAQ-IINYFYTJSA-N -1 1 286.339 1.043 20 0 CDADMM CCOC1CC2(C1)CCN([C@H](CCC(=O)[O-])C(=O)OC)C2 ZINC001605613321 1163622485 /nfs/dbraw/zinc/62/24/85/1163622485.db2.gz ZJLAPLVIOCHPOV-MQYJIDSJSA-N -1 1 299.367 1.284 20 0 CDADMM Cc1cc(NC(=O)c2cccc(-c3nnn[n-]3)n2)ccc1O ZINC001605716850 1163647629 /nfs/dbraw/zinc/64/76/29/1163647629.db2.gz RZZWTHKVGQXBSF-UHFFFAOYSA-N -1 1 296.290 1.528 20 0 CDADMM Cc1cc(NC(=O)c2cccc(-c3nn[n-]n3)n2)ccc1O ZINC001605716850 1163647633 /nfs/dbraw/zinc/64/76/33/1163647633.db2.gz RZZWTHKVGQXBSF-UHFFFAOYSA-N -1 1 296.290 1.528 20 0 CDADMM Cc1cc(NC[C@@H]2CC[C@@H](O)C2)cc(-c2nnn[n-]2)n1 ZINC001605729400 1163654145 /nfs/dbraw/zinc/65/41/45/1163654145.db2.gz CQWVMTTTYFBYFR-MWLCHTKSSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cc(NC[C@@H]2CC[C@@H](O)C2)cc(-c2nn[n-]n2)n1 ZINC001605729400 1163654150 /nfs/dbraw/zinc/65/41/50/1163654150.db2.gz CQWVMTTTYFBYFR-MWLCHTKSSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cc(NC[C@@H]2CCOC2(C)C)nc(-c2nnn[n-]2)c1 ZINC001605732895 1163655624 /nfs/dbraw/zinc/65/56/24/1163655624.db2.gz XOGVBYRMOBPIGF-JTQLQIEISA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(NC[C@@H]2CCOC2(C)C)nc(-c2nn[n-]n2)c1 ZINC001605732895 1163655628 /nfs/dbraw/zinc/65/56/28/1163655628.db2.gz XOGVBYRMOBPIGF-JTQLQIEISA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(NCCOCC2CCC2)nc(-c2nnn[n-]2)c1 ZINC001605735839 1163656295 /nfs/dbraw/zinc/65/62/95/1163656295.db2.gz HYVFWCNQVUTAKX-UHFFFAOYSA-N -1 1 288.355 1.799 20 0 CDADMM Cc1cc(NCCOCC2CCC2)nc(-c2nn[n-]n2)c1 ZINC001605735839 1163656300 /nfs/dbraw/zinc/65/63/00/1163656300.db2.gz HYVFWCNQVUTAKX-UHFFFAOYSA-N -1 1 288.355 1.799 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCCC[C@H](C)CO ZINC001605805599 1163676595 /nfs/dbraw/zinc/67/65/95/1163676595.db2.gz YNIXWJWXJJTORJ-VIFPVBQESA-N -1 1 276.344 1.391 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001605805581 1163677089 /nfs/dbraw/zinc/67/70/89/1163677089.db2.gz XSOINJKOUMQMMX-JMJZKYOTSA-N -1 1 272.312 1.302 20 0 CDADMM CCc1nc([C@@H](C)NCc2cc(C(=O)[O-])c(CC)[nH]2)n[nH]1 ZINC001605846159 1163687356 /nfs/dbraw/zinc/68/73/56/1163687356.db2.gz YEPVAJGDZSNIGP-MRVPVSSYSA-N -1 1 291.355 1.807 20 0 CDADMM Cc1ccc(N[C@H](C)C[C@@H]2CCOC2)c(-c2nnn[n-]2)n1 ZINC001605871945 1163700305 /nfs/dbraw/zinc/70/03/05/1163700305.db2.gz OPIDLTQMNBVXRG-MNOVXSKESA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(N[C@H](C)C[C@@H]2CCOC2)c(-c2nn[n-]n2)n1 ZINC001605871945 1163700311 /nfs/dbraw/zinc/70/03/11/1163700311.db2.gz OPIDLTQMNBVXRG-MNOVXSKESA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(O)c(NC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001605875989 1163701750 /nfs/dbraw/zinc/70/17/50/1163701750.db2.gz XYGSJGCYKFQQCI-UHFFFAOYSA-N -1 1 285.263 1.726 20 0 CDADMM Cc1ccc(O)c(NC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001605875989 1163701755 /nfs/dbraw/zinc/70/17/55/1163701755.db2.gz XYGSJGCYKFQQCI-UHFFFAOYSA-N -1 1 285.263 1.726 20 0 CDADMM CCc1oc(C(=O)[O-])cc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC001605879986 1163704338 /nfs/dbraw/zinc/70/43/38/1163704338.db2.gz YEBSEARGVUTRNF-NOZJJQNGSA-N -1 1 251.282 1.107 20 0 CDADMM CCc1oc(C(=O)[O-])cc1CN1C[C@H]2C[C@@]2(O)C1 ZINC001605879986 1163704348 /nfs/dbraw/zinc/70/43/48/1163704348.db2.gz YEBSEARGVUTRNF-NOZJJQNGSA-N -1 1 251.282 1.107 20 0 CDADMM CCc1oc(C(=O)[O-])cc1C[N@@H+](C[C@H](C)O)C1CC1 ZINC001605879805 1163705565 /nfs/dbraw/zinc/70/55/65/1163705565.db2.gz SFMRSJIRHWBERR-VIFPVBQESA-N -1 1 267.325 1.885 20 0 CDADMM CCn1cc(CN[C@@H](C)c2cncc(C(=O)[O-])c2)cn1 ZINC001605921751 1163714557 /nfs/dbraw/zinc/71/45/57/1163714557.db2.gz CUEYSUIODUENNT-JTQLQIEISA-N -1 1 274.324 1.847 20 0 CDADMM CN(CC(F)(F)F)C(=O)C[N@H+]1C2CCC1(C(=O)[O-])CC2 ZINC001606091015 1163770235 /nfs/dbraw/zinc/77/02/35/1163770235.db2.gz WQCGDBAJGPXYHY-UHFFFAOYSA-N -1 1 294.273 1.089 20 0 CDADMM CN(CC(F)(F)F)C(=O)CN1C2CCC1(C(=O)[O-])CC2 ZINC001606091015 1163770240 /nfs/dbraw/zinc/77/02/40/1163770240.db2.gz WQCGDBAJGPXYHY-UHFFFAOYSA-N -1 1 294.273 1.089 20 0 CDADMM CN(C[C@@H]1CC(C)(C)CO1)[C@H](COC1CCC1)C(=O)[O-] ZINC001606096838 1163772342 /nfs/dbraw/zinc/77/23/42/1163772342.db2.gz QCHXJOLMNLGOJX-QWHCGFSZSA-N -1 1 285.384 1.756 20 0 CDADMM CN(Cc1ccc(C(=O)[O-])cc1F)[C@@H]1CCC(=O)N(C)C1 ZINC001606203245 1163805446 /nfs/dbraw/zinc/80/54/46/1163805446.db2.gz QVPOBCBNFWDAFI-GFCCVEGCSA-N -1 1 294.326 1.577 20 0 CDADMM FC1(F)CCC[C@@H](CNc2ncncc2-c2nn[n-]n2)C1 ZINC001606299917 1163846095 /nfs/dbraw/zinc/84/60/95/1163846095.db2.gz LWXGXWBAJKILIA-MRVPVSSYSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(F)CCCC[C@@H]1CNc1ncncc1-c1nn[n-]n1 ZINC001606300561 1163846223 /nfs/dbraw/zinc/84/62/23/1163846223.db2.gz WOJJZNOTTIEFTO-MRVPVSSYSA-N -1 1 295.297 1.894 20 0 CDADMM COC(=O)C1=CC[C@@H](NCc2cc(C(=O)[O-])co2)C1 ZINC001606359486 1163878744 /nfs/dbraw/zinc/87/87/44/1163878744.db2.gz SIGOFBUVRBKWQN-SNVBAGLBSA-N -1 1 265.265 1.329 20 0 CDADMM O=C(C=Cc1cccs1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001606487121 1163914590 /nfs/dbraw/zinc/91/45/90/1163914590.db2.gz GPFRNCQLCZWMIZ-ARJAWSKDSA-N -1 1 287.308 1.303 20 0 CDADMM O=C(C=Cc1cccs1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001606487121 1163914597 /nfs/dbraw/zinc/91/45/97/1163914597.db2.gz GPFRNCQLCZWMIZ-ARJAWSKDSA-N -1 1 287.308 1.303 20 0 CDADMM O=C(N[C@@H]1CC12CC2)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606653450 1163947944 /nfs/dbraw/zinc/94/79/44/1163947944.db2.gz KIDCZFABPIEAKR-SECBINFHSA-N -1 1 291.261 1.427 20 0 CDADMM O=C(N[C@@H]1CC12CC2)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606653450 1163947949 /nfs/dbraw/zinc/94/79/49/1163947949.db2.gz KIDCZFABPIEAKR-SECBINFHSA-N -1 1 291.261 1.427 20 0 CDADMM O=C(NCC1CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606725005 1163973400 /nfs/dbraw/zinc/97/34/00/1163973400.db2.gz HCZCSIUZENJFAT-UHFFFAOYSA-N -1 1 261.260 1.146 20 0 CDADMM O=C(NCC1CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606725005 1163973403 /nfs/dbraw/zinc/97/34/03/1163973403.db2.gz HCZCSIUZENJFAT-UHFFFAOYSA-N -1 1 261.260 1.146 20 0 CDADMM O=C(NCCCCC1CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606766265 1163988255 /nfs/dbraw/zinc/98/82/55/1163988255.db2.gz RRSSQPWVHKSGLT-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM O=C(NCCCCC1CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606766265 1163988264 /nfs/dbraw/zinc/98/82/64/1163988264.db2.gz RRSSQPWVHKSGLT-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cccnc1C1CC1 ZINC001606893201 1164024541 /nfs/dbraw/zinc/02/45/41/1164024541.db2.gz KDKOIMSTCYQKDB-UHFFFAOYSA-N -1 1 296.294 1.115 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cccnc1C1CC1 ZINC001606893201 1164024546 /nfs/dbraw/zinc/02/45/46/1164024546.db2.gz KDKOIMSTCYQKDB-UHFFFAOYSA-N -1 1 296.294 1.115 20 0 CDADMM O=C(Nc1ccccc1O)c1ccc(-c2nn[n-]n2)o1 ZINC001606940256 1164033958 /nfs/dbraw/zinc/03/39/58/1164033958.db2.gz NNXXJJQSVLQPMA-UHFFFAOYSA-N -1 1 271.236 1.418 20 0 CDADMM O=C(OCC(C1CC1)C1CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606965133 1164040704 /nfs/dbraw/zinc/04/07/04/1164040704.db2.gz HNTTVTKQEUGRJI-UHFFFAOYSA-N -1 1 299.334 1.855 20 0 CDADMM O=C(OCC(C1CC1)C1CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606965133 1164040707 /nfs/dbraw/zinc/04/07/07/1164040707.db2.gz HNTTVTKQEUGRJI-UHFFFAOYSA-N -1 1 299.334 1.855 20 0 CDADMM Cn1cnc(CNC(=O)c2ncc3ccccc3c2[O-])c1 ZINC001159069380 1164056628 /nfs/dbraw/zinc/05/66/28/1164056628.db2.gz ZKPGTHYIMOUHOG-UHFFFAOYSA-N -1 1 282.303 1.604 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCc2cccc(F)c21 ZINC001607017521 1164061073 /nfs/dbraw/zinc/06/10/73/1164061073.db2.gz VUXBANKITWZYNQ-UHFFFAOYSA-N -1 1 299.265 1.802 20 0 CDADMM O=C1CCCc2c1cn(C1CCCC1)c(=O)c2-c1nn[n-]n1 ZINC001607042970 1164067769 /nfs/dbraw/zinc/06/77/69/1164067769.db2.gz DNKKAQWRZREPHD-UHFFFAOYSA-N -1 1 299.334 1.663 20 0 CDADMM O=c1c(-c2nn[n-]n2)cncn1CCCCc1ccccc1 ZINC001607089930 1164075069 /nfs/dbraw/zinc/07/50/69/1164075069.db2.gz QLBOIOWPUXSXME-UHFFFAOYSA-N -1 1 296.334 1.446 20 0 CDADMM O[C@H]1C[C@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001607109316 1164083016 /nfs/dbraw/zinc/08/30/16/1164083016.db2.gz IZTIZNPXSBVJHM-URHBZAFASA-N -1 1 286.748 1.159 20 0 CDADMM c1cc(Oc2cncc(-c3nnn[n-]3)n2)c2c(c1)OCCO2 ZINC001607123773 1164106143 /nfs/dbraw/zinc/10/61/43/1164106143.db2.gz OYFREFHLBBUKRX-UHFFFAOYSA-N -1 1 298.262 1.220 20 0 CDADMM c1cc(Oc2cncc(-c3nn[n-]n3)n2)c2c(c1)OCCO2 ZINC001607123773 1164106146 /nfs/dbraw/zinc/10/61/46/1164106146.db2.gz OYFREFHLBBUKRX-UHFFFAOYSA-N -1 1 298.262 1.220 20 0 CDADMM c1nc(N(CC2CC2)CC2CCC2)cnc1-c1nnn[n-]1 ZINC001607137298 1164116543 /nfs/dbraw/zinc/11/65/43/1164116543.db2.gz OUIVEGXNPGNVOI-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM c1nc(N(CC2CC2)CC2CCC2)cnc1-c1nn[n-]n1 ZINC001607137298 1164116546 /nfs/dbraw/zinc/11/65/46/1164116546.db2.gz OUIVEGXNPGNVOI-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NC2CCC3(CC3)CC2)n1 ZINC001607138780 1164120315 /nfs/dbraw/zinc/12/03/15/1164120315.db2.gz KFYIHROXJGEMIP-UHFFFAOYSA-N -1 1 271.328 1.791 20 0 CDADMM c1nn(C2CCC2)cc1Nc1ncncc1-c1nn[n-]n1 ZINC001607139047 1164120520 /nfs/dbraw/zinc/12/05/20/1164120520.db2.gz ULCAEOFZOKFYFR-UHFFFAOYSA-N -1 1 283.299 1.322 20 0 CDADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)ccn1 ZINC001607571604 1164229709 /nfs/dbraw/zinc/22/97/09/1164229709.db2.gz HJDWVTUSOZYATD-LBPRGKRZSA-N -1 1 291.351 1.011 20 0 CDADMM Nc1ccnc(CN2CC[C@](C(=O)[O-])(c3ccccc3)C2)n1 ZINC001608274256 1164476598 /nfs/dbraw/zinc/47/65/98/1164476598.db2.gz WCSMNTDUSMJUHS-MRXNPFEDSA-N -1 1 298.346 1.287 20 0 CDADMM O=C([O-])[C@H]1CN(Cc2cnc[nH]2)c2ccc(F)cc2O1 ZINC001608645311 1164587990 /nfs/dbraw/zinc/58/79/90/1164587990.db2.gz OBVGBMVISSGCKQ-GFCCVEGCSA-N -1 1 277.255 1.401 20 0 CDADMM O=C([O-])C=Cc1ccc(CNCc2n[nH]c(C3CC3)n2)o1 ZINC001608660137 1164594355 /nfs/dbraw/zinc/59/43/55/1164594355.db2.gz LUHARKYGGPPBSO-AATRIKPKSA-N -1 1 288.307 1.663 20 0 CDADMM O=C([O-])COc1ccc(CN2CCc3cn[nH]c3C2)cc1 ZINC001608758820 1164629952 /nfs/dbraw/zinc/62/99/52/1164629952.db2.gz IENMKTNLIMEILE-UHFFFAOYSA-N -1 1 287.319 1.431 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](NC(=O)C(F)(F)F)c2ccccc21 ZINC001608813204 1164645988 /nfs/dbraw/zinc/64/59/88/1164645988.db2.gz RCINHMXHFTWMTB-BDAKNGLRSA-N -1 1 273.210 1.978 20 0 CDADMM CC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001609066955 1164755408 /nfs/dbraw/zinc/75/54/08/1164755408.db2.gz BPDVYVXQZLEFGE-UHFFFAOYSA-N -1 1 297.274 1.915 20 0 CDADMM C[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001609157663 1164806749 /nfs/dbraw/zinc/80/67/49/1164806749.db2.gz VAHORPWPBAKNJZ-IUCAKERBSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001609157663 1164806755 /nfs/dbraw/zinc/80/67/55/1164806755.db2.gz VAHORPWPBAKNJZ-IUCAKERBSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001609161960 1164808534 /nfs/dbraw/zinc/80/85/34/1164808534.db2.gz YKZQRUZAMKJHBU-KXUCPTDWSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001609161960 1164808540 /nfs/dbraw/zinc/80/85/40/1164808540.db2.gz YKZQRUZAMKJHBU-KXUCPTDWSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@H]1C ZINC001609170919 1164813817 /nfs/dbraw/zinc/81/38/17/1164813817.db2.gz ATAFELIYNPCWON-RKDXNWHRSA-N -1 1 289.314 1.734 20 0 CDADMM C[C@@H]1CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@H]1C ZINC001609170919 1164813825 /nfs/dbraw/zinc/81/38/25/1164813825.db2.gz ATAFELIYNPCWON-RKDXNWHRSA-N -1 1 289.314 1.734 20 0 CDADMM C[C@@H]1Oc2ccccc2[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001609178779 1164819709 /nfs/dbraw/zinc/81/97/09/1164819709.db2.gz DPVWIQPHAJJGJZ-ISVAXAHUSA-N -1 1 295.306 1.591 20 0 CDADMM C[C@@H]1Oc2ccccc2[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001609178779 1164819712 /nfs/dbraw/zinc/81/97/12/1164819712.db2.gz DPVWIQPHAJJGJZ-ISVAXAHUSA-N -1 1 295.306 1.591 20 0 CDADMM CC[C@H](CSC)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609192157 1164834214 /nfs/dbraw/zinc/83/42/14/1164834214.db2.gz XKCCAENYJODJDA-MRVPVSSYSA-N -1 1 279.373 1.519 20 0 CDADMM CC[C@H](CSC)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609192157 1164834220 /nfs/dbraw/zinc/83/42/20/1164834220.db2.gz XKCCAENYJODJDA-MRVPVSSYSA-N -1 1 279.373 1.519 20 0 CDADMM CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609199871 1164839225 /nfs/dbraw/zinc/83/92/25/1164839225.db2.gz HPTAUVFQFOHZGD-RKDXNWHRSA-N -1 1 275.312 1.863 20 0 CDADMM CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609199871 1164839230 /nfs/dbraw/zinc/83/92/30/1164839230.db2.gz HPTAUVFQFOHZGD-RKDXNWHRSA-N -1 1 275.312 1.863 20 0 CDADMM CCOc1ccc(Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001609245441 1164863090 /nfs/dbraw/zinc/86/30/90/1164863090.db2.gz PETGJIZRYPUZIU-UHFFFAOYSA-N -1 1 283.295 1.221 20 0 CDADMM CCc1ccc(O)c(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001609252663 1164867168 /nfs/dbraw/zinc/86/71/68/1164867168.db2.gz MHDMWTXXZFVHBI-UHFFFAOYSA-N -1 1 299.290 1.980 20 0 CDADMM CN(Cc1cccs1)c1cc(-c2nnn[n-]2)ncn1 ZINC001609280843 1164880471 /nfs/dbraw/zinc/88/04/71/1164880471.db2.gz GXHSJTZMJVEQTM-UHFFFAOYSA-N -1 1 273.325 1.355 20 0 CDADMM CN(Cc1cccs1)c1cc(-c2nn[n-]n2)ncn1 ZINC001609280843 1164880477 /nfs/dbraw/zinc/88/04/77/1164880477.db2.gz GXHSJTZMJVEQTM-UHFFFAOYSA-N -1 1 273.325 1.355 20 0 CDADMM CO[C@H](CNc1cccnc1-c1nnn[n-]1)C(F)(F)F ZINC001609310412 1164891275 /nfs/dbraw/zinc/89/12/75/1164891275.db2.gz HKKDWZNUIVUNDA-SSDOTTSWSA-N -1 1 288.233 1.251 20 0 CDADMM Cc1cc(COc2ccc(F)nc2-c2nn[n-]n2)ncn1 ZINC001609402560 1164932114 /nfs/dbraw/zinc/93/21/14/1164932114.db2.gz LFCVWSGBDIIWCZ-UHFFFAOYSA-N -1 1 287.258 1.078 20 0 CDADMM Cc1ccc(CCNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001609423129 1164941093 /nfs/dbraw/zinc/94/10/93/1164941093.db2.gz XMJFGLKPIGCXLU-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1ccc(CCNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001609423129 1164941096 /nfs/dbraw/zinc/94/10/96/1164941096.db2.gz XMJFGLKPIGCXLU-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1csc(CCNc2cccnc2-c2nnn[n-]2)n1 ZINC001609442387 1164951807 /nfs/dbraw/zinc/95/18/07/1164951807.db2.gz HJQOMIYNIRAACA-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM Cc1csc(CCNc2cccnc2-c2nn[n-]n2)n1 ZINC001609442387 1164951815 /nfs/dbraw/zinc/95/18/15/1164951815.db2.gz HJQOMIYNIRAACA-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM Cc1nsc(S[C@@H](C)[C@@H](C)O)c1-c1nnn[n-]1 ZINC001609466302 1164962497 /nfs/dbraw/zinc/96/24/97/1164962497.db2.gz NLYUEYQWVOQFNW-RITPCOANSA-N -1 1 271.371 1.493 20 0 CDADMM Cc1nsc(S[C@@H](C)[C@@H](C)O)c1-c1nn[n-]n1 ZINC001609466302 1164962505 /nfs/dbraw/zinc/96/25/05/1164962505.db2.gz NLYUEYQWVOQFNW-RITPCOANSA-N -1 1 271.371 1.493 20 0 CDADMM Cc1nsc(N(C)Cc2ccccn2)c1-c1nn[n-]n1 ZINC001609464518 1164962637 /nfs/dbraw/zinc/96/26/37/1164962637.db2.gz WEOQPUQJPGUSPU-UHFFFAOYSA-N -1 1 287.352 1.663 20 0 CDADMM Cc1nsc(NC(=O)N[C@@H]2CC[C@@H]2C)c1-c1nnn[n-]1 ZINC001609466015 1164963014 /nfs/dbraw/zinc/96/30/14/1164963014.db2.gz ZJPDPCCTYKAITH-CAHLUQPWSA-N -1 1 293.356 1.552 20 0 CDADMM Cc1nsc(NC(=O)N[C@@H]2CC[C@@H]2C)c1-c1nn[n-]n1 ZINC001609466015 1164963018 /nfs/dbraw/zinc/96/30/18/1164963018.db2.gz ZJPDPCCTYKAITH-CAHLUQPWSA-N -1 1 293.356 1.552 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cccc(O)c1 ZINC001609467890 1164964862 /nfs/dbraw/zinc/96/48/62/1164964862.db2.gz AHJAGDFCKJZXFO-UHFFFAOYSA-N -1 1 285.263 1.726 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cccc(O)c1 ZINC001609467890 1164964868 /nfs/dbraw/zinc/96/48/68/1164964868.db2.gz AHJAGDFCKJZXFO-UHFFFAOYSA-N -1 1 285.263 1.726 20 0 CDADMM OCC[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ccccc1 ZINC001609611244 1165004221 /nfs/dbraw/zinc/00/42/21/1165004221.db2.gz PWENRMCVBQLNQB-LLVKDONJSA-N -1 1 297.322 1.192 20 0 CDADMM OCC[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ccccc1 ZINC001609611244 1165004224 /nfs/dbraw/zinc/00/42/24/1165004224.db2.gz PWENRMCVBQLNQB-LLVKDONJSA-N -1 1 297.322 1.192 20 0 CDADMM c1ccc2c(c1)SC[C@@H]2Nc1cc(-c2nnn[n-]2)ncn1 ZINC001609618799 1165014697 /nfs/dbraw/zinc/01/46/97/1165014697.db2.gz OUXHANSJSJXLAI-JTQLQIEISA-N -1 1 297.347 1.916 20 0 CDADMM c1ccc2c(c1)SC[C@@H]2Nc1cc(-c2nn[n-]n2)ncn1 ZINC001609618799 1165014699 /nfs/dbraw/zinc/01/46/99/1165014699.db2.gz OUXHANSJSJXLAI-JTQLQIEISA-N -1 1 297.347 1.916 20 0 CDADMM CC(=O)c1ccc(CN2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1 ZINC001609628885 1165020840 /nfs/dbraw/zinc/02/08/40/1165020840.db2.gz CIGVBZSYYKRUMY-ZIAGYGMSSA-N -1 1 277.320 1.157 20 0 CDADMM CCOC[C@@H](C(=O)[O-])N(C)C[C@@H](O)Cc1ccccc1 ZINC001610036123 1165192464 /nfs/dbraw/zinc/19/24/64/1165192464.db2.gz WBOQAUONJFXZJW-KBPBESRZSA-N -1 1 281.352 1.012 20 0 CDADMM Cc1c(NC(=O)N2CCNC(C)(C)C2)cccc1C(=O)[O-] ZINC001610425138 1165313306 /nfs/dbraw/zinc/31/33/06/1165313306.db2.gz JDUWRLLOFXJUOZ-UHFFFAOYSA-N -1 1 291.351 1.909 20 0 CDADMM Cc1cnccc1C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC001610540900 1165348257 /nfs/dbraw/zinc/34/82/57/1165348257.db2.gz UXFSUPLLRZOQHT-LBPRGKRZSA-N -1 1 291.351 1.011 20 0 CDADMM Cc1noc(C)c1CN(C)C[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC001610576537 1165363337 /nfs/dbraw/zinc/36/33/37/1165363337.db2.gz ALLFACMCSRGTHP-VHSXEESVSA-N -1 1 274.267 1.689 20 0 CDADMM Cn1cc(-c2nc(CNC3(CC(=O)[O-])CC3)cs2)cn1 ZINC001610598791 1165371380 /nfs/dbraw/zinc/37/13/80/1165371380.db2.gz AYMOAJJCXSUBFD-UHFFFAOYSA-N -1 1 292.364 1.641 20 0 CDADMM O=C([O-])c1ccccc1CCC(=O)NCc1cnc[nH]1 ZINC001610659721 1165400395 /nfs/dbraw/zinc/40/03/95/1165400395.db2.gz QFBVAAVTAJOSRY-UHFFFAOYSA-N -1 1 273.292 1.357 20 0 CDADMM O=C([O-])C[C@@H](NCc1nc(-c2ccccn2)no1)C1CC1 ZINC001610753237 1165428389 /nfs/dbraw/zinc/42/83/89/1165428389.db2.gz BEFQXFUDISSPHY-LLVKDONJSA-N -1 1 288.307 1.475 20 0 CDADMM Cc1cc(CNC(=O)c2cccc([O-])c2F)no1 ZINC001625472008 1165909489 /nfs/dbraw/zinc/90/94/89/1165909489.db2.gz OYTMDYIFIZOECP-UHFFFAOYSA-N -1 1 250.229 1.758 20 0 CDADMM CCC(CC)(NC(=O)c1ccc2n[nH]cc2c1)c1nn[n-]n1 ZINC001626904682 1165966299 /nfs/dbraw/zinc/96/62/99/1165966299.db2.gz YVQBEVPOIXRBGD-UHFFFAOYSA-N -1 1 299.338 1.521 20 0 CDADMM CCn1cnnc1NC(=O)c1cccc([O-])c1F ZINC001627347866 1165991824 /nfs/dbraw/zinc/99/18/24/1165991824.db2.gz FHNJFDGTFPIFEA-UHFFFAOYSA-N -1 1 250.233 1.395 20 0 CDADMM O=C(OCc1nn[n-]n1)[C@H]1SCCc2ccccc21 ZINC001649228277 1166164259 /nfs/dbraw/zinc/16/42/59/1166164259.db2.gz OJNUKBDTOJXSHV-NSHDSACASA-N -1 1 276.321 1.274 20 0 CDADMM C[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC000095255473 1166613038 /nfs/dbraw/zinc/61/30/38/1166613038.db2.gz VQWRGQTUVUVIGX-NXEZZACHSA-N -1 1 258.329 1.887 20 0 CDADMM C[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC000095255473 1166613040 /nfs/dbraw/zinc/61/30/40/1166613040.db2.gz VQWRGQTUVUVIGX-NXEZZACHSA-N -1 1 258.329 1.887 20 0 CDADMM O=C(NC/C=C/c1cccnc1)c1ccc([O-])cn1 ZINC001636798329 1166698906 /nfs/dbraw/zinc/69/89/06/1166698906.db2.gz OIWARDJZTXJNKZ-DUXPYHPUSA-N -1 1 255.277 1.625 20 0 CDADMM CCOCCCN(Cc1nc(C)no1)C[C@@H](C)C(=O)[O-] ZINC001327359512 1166804428 /nfs/dbraw/zinc/80/44/28/1166804428.db2.gz IHAYOAWBNJQIGE-SNVBAGLBSA-N -1 1 285.344 1.327 20 0 CDADMM Cc1ccnc([C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001643127705 1167227038 /nfs/dbraw/zinc/22/70/38/1167227038.db2.gz AHOVUVUGYBWGIG-VIFPVBQESA-N -1 1 258.281 1.377 20 0 CDADMM CN(CCn1cnnc1)C(=O)c1ncc2ccccc2c1[O-] ZINC001644789331 1167349630 /nfs/dbraw/zinc/34/96/30/1167349630.db2.gz HNFHDLLEJKXMTM-UHFFFAOYSA-N -1 1 297.318 1.304 20 0 CDADMM COC[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(F)cc1OC ZINC001645648680 1167449694 /nfs/dbraw/zinc/44/96/94/1167449694.db2.gz MKRVPKRFBYHGFV-SSDOTTSWSA-N -1 1 295.307 1.287 20 0 CDADMM O=C(CCCc1ccc(Cl)cc1)OCc1nn[n-]n1 ZINC001646881226 1168221345 /nfs/dbraw/zinc/22/13/45/1168221345.db2.gz DCWPORDNVBKLMF-UHFFFAOYSA-N -1 1 280.715 1.919 20 0 CDADMM CC1(C(=O)[O-])CCN(C(=O)[C@H](N)c2ccccc2)CC1 ZINC000062842786 1169084423 /nfs/dbraw/zinc/08/44/23/1169084423.db2.gz UEBNQRDYEMAZNK-GFCCVEGCSA-N -1 1 276.336 1.400 20 0 CDADMM CCC(CC)(CC(=O)OC)NCc1noc(C)c1C(=O)[O-] ZINC001573685913 1170729459 /nfs/dbraw/zinc/72/94/59/1170729459.db2.gz IVUSMOZJDNBIDA-UHFFFAOYSA-N -1 1 298.339 1.893 20 0 CDADMM O=C([O-])[C@H](F)C1CN(C(=O)c2c3[nH]cnc3ccc2F)C1 ZINC001574352340 1170955192 /nfs/dbraw/zinc/95/51/92/1170955192.db2.gz HATDNVGHNCHCKN-SNVBAGLBSA-N -1 1 295.245 1.197 20 0 CDADMM O=C([O-])c1n[nH]c(CN[C@@H]2CCOC3(CCCC3)C2)n1 ZINC001574422406 1170975833 /nfs/dbraw/zinc/97/58/33/1170975833.db2.gz AQEJSHSRMDGWHD-SECBINFHSA-N -1 1 280.328 1.084 20 0 CDADMM CN(Cc1c[nH]nn1)C(=O)c1cc(F)cc(F)c1[O-] ZINC001576858607 1171538246 /nfs/dbraw/zinc/53/82/46/1171538246.db2.gz RKCKIOGRFBALCC-UHFFFAOYSA-N -1 1 268.223 1.061 20 0 CDADMM CCn1ncc(CNc2ccc(-n3ccc(=O)[n-]3)cc2)n1 ZINC001657777125 1171986040 /nfs/dbraw/zinc/98/60/40/1171986040.db2.gz CWGRWSURNVXSTD-UHFFFAOYSA-N -1 1 284.323 1.801 20 0 CDADMM Cc1coc(COC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001581367609 1172606584 /nfs/dbraw/zinc/60/65/84/1172606584.db2.gz BPTXXKLERHEPFS-UHFFFAOYSA-N -1 1 274.236 1.718 20 0 CDADMM Cc1coc(COC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001581367609 1172606585 /nfs/dbraw/zinc/60/65/85/1172606585.db2.gz BPTXXKLERHEPFS-UHFFFAOYSA-N -1 1 274.236 1.718 20 0 CDADMM O=C(NOC/C=C\Cl)c1ccsc1-c1nnn[n-]1 ZINC001582563012 1172682307 /nfs/dbraw/zinc/68/23/07/1172682307.db2.gz VJCJNZYIAZEWGY-IWQZZHSRSA-N -1 1 285.716 1.342 20 0 CDADMM O=C(NOC/C=C\Cl)c1ccsc1-c1nn[n-]n1 ZINC001582563012 1172682315 /nfs/dbraw/zinc/68/23/15/1172682315.db2.gz VJCJNZYIAZEWGY-IWQZZHSRSA-N -1 1 285.716 1.342 20 0 CDADMM O=C(Nc1cccnc1-n1cncn1)c1ccc(F)c([O-])c1 ZINC001583217401 1172747877 /nfs/dbraw/zinc/74/78/77/1172747877.db2.gz CAJGSAMZBKPOPJ-UHFFFAOYSA-N -1 1 299.265 1.759 20 0 CDADMM CN(C(=O)c1ccncc1Oc1ccccc1)c1nn[n-]n1 ZINC001586262153 1172938484 /nfs/dbraw/zinc/93/84/84/1172938484.db2.gz HTBOSFXXWDGQCF-UHFFFAOYSA-N -1 1 296.290 1.664 20 0 CDADMM CCC[C@@H](NC(=O)c1cc2cccn2cn1)c1nn[n-]n1 ZINC001587596747 1172992115 /nfs/dbraw/zinc/99/21/15/1172992115.db2.gz BGJFWFUBMITXBK-SNVBAGLBSA-N -1 1 285.311 1.119 20 0 CDADMM CC(=O)c1cccc(Cn2c(C)c(C)nc2-c2nn[n-]n2)c1 ZINC001588920022 1173113695 /nfs/dbraw/zinc/11/36/95/1173113695.db2.gz JRQLCBPZDWKAIT-UHFFFAOYSA-N -1 1 296.334 1.931 20 0 CDADMM CC(C)(C)[C@@H]1CCN1c1cccc(-c2nnn[n-]2)n1 ZINC001589105767 1173123621 /nfs/dbraw/zinc/12/36/21/1173123621.db2.gz YCBRBGRVZCQUJW-JTQLQIEISA-N -1 1 258.329 1.887 20 0 CDADMM CC(C)(C)[C@@H]1CCN1c1cccc(-c2nn[n-]n2)n1 ZINC001589105767 1173123625 /nfs/dbraw/zinc/12/36/25/1173123625.db2.gz YCBRBGRVZCQUJW-JTQLQIEISA-N -1 1 258.329 1.887 20 0 CDADMM CC(C)(C)OCCOc1cccnc1-c1nnn[n-]1 ZINC001589197169 1173129398 /nfs/dbraw/zinc/12/93/98/1173129398.db2.gz GBAOOBTZGVCPGW-UHFFFAOYSA-N -1 1 263.301 1.456 20 0 CDADMM CC(C)(C)OCCOc1cccnc1-c1nn[n-]n1 ZINC001589197169 1173129407 /nfs/dbraw/zinc/12/94/07/1173129407.db2.gz GBAOOBTZGVCPGW-UHFFFAOYSA-N -1 1 263.301 1.456 20 0 CDADMM CC(C)(CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)CC(F)F ZINC001589269885 1173132593 /nfs/dbraw/zinc/13/25/93/1173132593.db2.gz LTBZNKCASYJOQL-UHFFFAOYSA-N -1 1 299.285 1.600 20 0 CDADMM CC(C)=CC(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001589370678 1173140097 /nfs/dbraw/zinc/14/00/97/1173140097.db2.gz DCPQZRICUWUUDT-UHFFFAOYSA-N -1 1 264.310 1.938 20 0 CDADMM CC(C)C1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001589490106 1173148526 /nfs/dbraw/zinc/14/85/26/1173148526.db2.gz HUIZZDSTABGMPX-UHFFFAOYSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)C1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001589490106 1173148529 /nfs/dbraw/zinc/14/85/29/1173148529.db2.gz HUIZZDSTABGMPX-UHFFFAOYSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001589507669 1173150795 /nfs/dbraw/zinc/15/07/95/1173150795.db2.gz OLVIDQVLIIKFPI-NSHDSACASA-N -1 1 273.344 1.672 20 0 CDADMM CC(C)[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001589507669 1173150798 /nfs/dbraw/zinc/15/07/98/1173150798.db2.gz OLVIDQVLIIKFPI-NSHDSACASA-N -1 1 273.344 1.672 20 0 CDADMM CC(C)CCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589602202 1173162992 /nfs/dbraw/zinc/16/29/92/1173162992.db2.gz VWXZHWDZGJAWIA-UHFFFAOYSA-N -1 1 265.342 1.704 20 0 CDADMM CC(C)c1ccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)cc1 ZINC001589768049 1173174668 /nfs/dbraw/zinc/17/46/68/1173174668.db2.gz GYPACOFCNJVPBC-UHFFFAOYSA-N -1 1 297.322 1.966 20 0 CDADMM CC(C)n1ccc(CNCc2cccc(-c3nn[n-]n3)n2)n1 ZINC001589782236 1173178415 /nfs/dbraw/zinc/17/84/15/1173178415.db2.gz LEFVVGBWWVYHCX-UHFFFAOYSA-N -1 1 298.354 1.329 20 0 CDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)c1ccccn1 ZINC001589877104 1173192858 /nfs/dbraw/zinc/19/28/58/1173192858.db2.gz KUKPFMBTUSQXRG-SECBINFHSA-N -1 1 282.311 1.267 20 0 CDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)c1ccccn1 ZINC001589877104 1173192863 /nfs/dbraw/zinc/19/28/63/1173192863.db2.gz KUKPFMBTUSQXRG-SECBINFHSA-N -1 1 282.311 1.267 20 0 CDADMM C[C@H](N(C)C(=O)c1coc(-c2nnn[n-]2)c1)C1(C)CC1 ZINC001589910880 1173203378 /nfs/dbraw/zinc/20/33/78/1173203378.db2.gz DWOUXERIQLJNRU-QMMMGPOBSA-N -1 1 275.312 1.720 20 0 CDADMM C[C@H](N(C)C(=O)c1coc(-c2nn[n-]n2)c1)C1(C)CC1 ZINC001589910880 1173203381 /nfs/dbraw/zinc/20/33/81/1173203381.db2.gz DWOUXERIQLJNRU-QMMMGPOBSA-N -1 1 275.312 1.720 20 0 CDADMM C[C@H](O)C[C@H]1CCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001589997182 1173228104 /nfs/dbraw/zinc/22/81/04/1173228104.db2.gz MFEODKJYXUPASA-VHSXEESVSA-N -1 1 274.328 1.001 20 0 CDADMM C[C@]1(C(=O)OCc2ccc(-c3nn[n-]n3)o2)CC1(F)F ZINC001590072859 1173244662 /nfs/dbraw/zinc/24/46/62/1173244662.db2.gz IFZSWILLXLTREN-SNVBAGLBSA-N -1 1 284.222 1.548 20 0 CDADMM C[C@]1(C(=O)OCc2ccc(-c3nnn[n-]3)o2)CC1(F)F ZINC001590072859 1173244655 /nfs/dbraw/zinc/24/46/55/1173244655.db2.gz IFZSWILLXLTREN-SNVBAGLBSA-N -1 1 284.222 1.548 20 0 CDADMM CC1(C)C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCS1 ZINC001590084177 1173247955 /nfs/dbraw/zinc/24/79/55/1173247955.db2.gz XNMGWPRWYXIOLZ-QMMMGPOBSA-N -1 1 291.384 1.743 20 0 CDADMM CC1(C)CC(NC(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001590082298 1173249837 /nfs/dbraw/zinc/24/98/37/1173249837.db2.gz BBPZZBUJTFFRKP-UHFFFAOYSA-N -1 1 261.285 1.378 20 0 CDADMM CC1(C)CC(NC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590082298 1173249843 /nfs/dbraw/zinc/24/98/43/1173249843.db2.gz BBPZZBUJTFFRKP-UHFFFAOYSA-N -1 1 261.285 1.378 20 0 CDADMM CC1(C)CC[C@@H]1C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001590093079 1173252900 /nfs/dbraw/zinc/25/29/00/1173252900.db2.gz NHUOSZCGUHKEPB-LLVKDONJSA-N -1 1 287.323 1.713 20 0 CDADMM CC1(C2(Nc3cncc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001590122528 1173265655 /nfs/dbraw/zinc/26/56/55/1173265655.db2.gz YLFOWICREZJGBN-UHFFFAOYSA-N -1 1 257.301 1.401 20 0 CDADMM CC1(C2(Nc3cncc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001590122528 1173265660 /nfs/dbraw/zinc/26/56/60/1173265660.db2.gz YLFOWICREZJGBN-UHFFFAOYSA-N -1 1 257.301 1.401 20 0 CDADMM CC1(F)CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001590141582 1173270304 /nfs/dbraw/zinc/27/03/04/1173270304.db2.gz KATICBAEYUFGAV-UHFFFAOYSA-N -1 1 275.291 1.082 20 0 CDADMM CC1(F)CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001590141582 1173270307 /nfs/dbraw/zinc/27/03/07/1173270307.db2.gz KATICBAEYUFGAV-UHFFFAOYSA-N -1 1 275.291 1.082 20 0 CDADMM C[C@@H]1C[C@H](C)CN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590190126 1173285396 /nfs/dbraw/zinc/28/53/96/1173285396.db2.gz JSCZGYPLDPSCSQ-VHSXEESVSA-N -1 1 286.339 1.061 20 0 CDADMM C[C@@H]1C[C@H](C)CN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590190126 1173285405 /nfs/dbraw/zinc/28/54/05/1173285405.db2.gz JSCZGYPLDPSCSQ-VHSXEESVSA-N -1 1 286.339 1.061 20 0 CDADMM CC1CC(OC(=O)c2csc(-c3nnn[n-]3)c2)C1 ZINC001590214529 1173295082 /nfs/dbraw/zinc/29/50/82/1173295082.db2.gz QRFQTZAIIRJXTG-UHFFFAOYSA-N -1 1 264.310 1.884 20 0 CDADMM CC1CC(OC(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001590214529 1173295090 /nfs/dbraw/zinc/29/50/90/1173295090.db2.gz QRFQTZAIIRJXTG-UHFFFAOYSA-N -1 1 264.310 1.884 20 0 CDADMM CC1CCC(O)(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001590239059 1173309540 /nfs/dbraw/zinc/30/95/40/1173309540.db2.gz KUMTWXCVUOZURN-UHFFFAOYSA-N -1 1 289.343 1.010 20 0 CDADMM CC1CCC(O)(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001590239059 1173309548 /nfs/dbraw/zinc/30/95/48/1173309548.db2.gz KUMTWXCVUOZURN-UHFFFAOYSA-N -1 1 289.343 1.010 20 0 CDADMM C[C@@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)[C@@H](C)[C@@H](C)O1 ZINC001590300746 1173341790 /nfs/dbraw/zinc/34/17/90/1173341790.db2.gz DXXRXTWSDJMCRF-HRDYMLBCSA-N -1 1 291.311 1.098 20 0 CDADMM C[C@@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)[C@@H](C)[C@@H](C)O1 ZINC001590300746 1173341795 /nfs/dbraw/zinc/34/17/95/1173341795.db2.gz DXXRXTWSDJMCRF-HRDYMLBCSA-N -1 1 291.311 1.098 20 0 CDADMM C[C@@H]1COC[C@@H]1Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001590324535 1173358969 /nfs/dbraw/zinc/35/89/69/1173358969.db2.gz MGQNFTGIKZYLKH-OTYXRUKQSA-N -1 1 296.334 1.284 20 0 CDADMM C[C@@H]1COC[C@@H]1Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001590324535 1173358975 /nfs/dbraw/zinc/35/89/75/1173358975.db2.gz MGQNFTGIKZYLKH-OTYXRUKQSA-N -1 1 296.334 1.284 20 0 CDADMM CCC(C)(C)CC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001590375349 1173380851 /nfs/dbraw/zinc/38/08/51/1173380851.db2.gz GPXNDPCREAWURI-UHFFFAOYSA-N -1 1 263.305 1.355 20 0 CDADMM CCC(CC)NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590435765 1173408981 /nfs/dbraw/zinc/40/89/81/1173408981.db2.gz HFZZWSQLEADRJU-UHFFFAOYSA-N -1 1 274.328 1.109 20 0 CDADMM CCC(CC)NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590435765 1173408985 /nfs/dbraw/zinc/40/89/85/1173408985.db2.gz HFZZWSQLEADRJU-UHFFFAOYSA-N -1 1 274.328 1.109 20 0 CDADMM CC[C@@H](NC(=O)c1ccsc1-c1nnn[n-]1)C1CC1 ZINC001590459155 1173415513 /nfs/dbraw/zinc/41/55/13/1173415513.db2.gz GFLNOACJBLFZGO-SECBINFHSA-N -1 1 277.353 1.847 20 0 CDADMM CC[C@@H](NC(=O)c1ccsc1-c1nn[n-]n1)C1CC1 ZINC001590459155 1173415521 /nfs/dbraw/zinc/41/55/21/1173415521.db2.gz GFLNOACJBLFZGO-SECBINFHSA-N -1 1 277.353 1.847 20 0 CDADMM CC[C@]1(C)CCN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590489484 1173431459 /nfs/dbraw/zinc/43/14/59/1173431459.db2.gz IISDQHMNVBYSDZ-CYBMUJFWSA-N -1 1 275.312 1.722 20 0 CDADMM CC[C@]1(C)CCN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590489484 1173431462 /nfs/dbraw/zinc/43/14/62/1173431462.db2.gz IISDQHMNVBYSDZ-CYBMUJFWSA-N -1 1 275.312 1.722 20 0 CDADMM CCC1(CC)CN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590493962 1173435287 /nfs/dbraw/zinc/43/52/87/1173435287.db2.gz MUSMDZKNMUSTKC-UHFFFAOYSA-N -1 1 258.329 1.888 20 0 CDADMM CCC1(CC)CN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590493962 1173435291 /nfs/dbraw/zinc/43/52/91/1173435291.db2.gz MUSMDZKNMUSTKC-UHFFFAOYSA-N -1 1 258.329 1.888 20 0 CDADMM CC[C@@H]1C[C@H](Nc2ccc(C)c(-c3nnn[n-]3)n2)CCO1 ZINC001590503751 1173440115 /nfs/dbraw/zinc/44/01/15/1173440115.db2.gz BBLHRPNWBMBPQC-GHMZBOCLSA-N -1 1 288.355 1.940 20 0 CDADMM CC[C@@H]1C[C@H](Nc2ccc(C)c(-c3nn[n-]n3)n2)CCO1 ZINC001590503751 1173440117 /nfs/dbraw/zinc/44/01/17/1173440117.db2.gz BBLHRPNWBMBPQC-GHMZBOCLSA-N -1 1 288.355 1.940 20 0 CDADMM CC[C@H]1CO[C@@H](C)CN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590524748 1173451865 /nfs/dbraw/zinc/45/18/65/1173451865.db2.gz SEPIBZVXQUAFGP-IUCAKERBSA-N -1 1 291.311 1.099 20 0 CDADMM CC[C@H]1CO[C@@H](C)CN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590524748 1173451871 /nfs/dbraw/zinc/45/18/71/1173451871.db2.gz SEPIBZVXQUAFGP-IUCAKERBSA-N -1 1 291.311 1.099 20 0 CDADMM CCCCSCC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001590612060 1173475712 /nfs/dbraw/zinc/47/57/12/1173475712.db2.gz UKMCGFDRFOICGO-UHFFFAOYSA-N -1 1 281.345 1.062 20 0 CDADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H]1CCOC1 ZINC001590673292 1173485569 /nfs/dbraw/zinc/48/55/69/1173485569.db2.gz DPRJQXXOALGYFR-MRVPVSSYSA-N -1 1 293.352 1.179 20 0 CDADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H]1CCOC1 ZINC001590673292 1173485574 /nfs/dbraw/zinc/48/55/74/1173485574.db2.gz DPRJQXXOALGYFR-MRVPVSSYSA-N -1 1 293.352 1.179 20 0 CDADMM CCO[C@H](C)c1nccn1Cc1ccnc(-c2nnn[n-]2)c1 ZINC001590782802 1173511689 /nfs/dbraw/zinc/51/16/89/1173511689.db2.gz KSLQKMHQDKOYQT-SNVBAGLBSA-N -1 1 299.338 1.604 20 0 CDADMM CCO[C@H](C)c1nccn1Cc1ccnc(-c2nn[n-]n2)c1 ZINC001590782802 1173511695 /nfs/dbraw/zinc/51/16/95/1173511695.db2.gz KSLQKMHQDKOYQT-SNVBAGLBSA-N -1 1 299.338 1.604 20 0 CDADMM CCOC1CCN(c2ccc(C)c(-c3nnn[n-]3)n2)CC1 ZINC001590797056 1173514188 /nfs/dbraw/zinc/51/41/88/1173514188.db2.gz UCXQOGLNDFXCCL-UHFFFAOYSA-N -1 1 288.355 1.575 20 0 CDADMM CCOC1CCN(c2ccc(C)c(-c3nn[n-]n3)n2)CC1 ZINC001590797056 1173514191 /nfs/dbraw/zinc/51/41/91/1173514191.db2.gz UCXQOGLNDFXCCL-UHFFFAOYSA-N -1 1 288.355 1.575 20 0 CDADMM CCO[C@@H]1CCC[C@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590820419 1173522104 /nfs/dbraw/zinc/52/21/04/1173522104.db2.gz RJLMNEOSUPHBJD-ZYHUDNBSSA-N -1 1 274.328 1.053 20 0 CDADMM CCO[C@@H]1CCC[C@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590820419 1173522108 /nfs/dbraw/zinc/52/21/08/1173522108.db2.gz RJLMNEOSUPHBJD-ZYHUDNBSSA-N -1 1 274.328 1.053 20 0 CDADMM CCO[C@@]1(C)C[C@H]1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590821442 1173522900 /nfs/dbraw/zinc/52/29/00/1173522900.db2.gz NQUWEEUMLSDJSB-PELKAZGASA-N -1 1 293.352 1.226 20 0 CDADMM CCO[C@@]1(C)C[C@H]1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590821442 1173522904 /nfs/dbraw/zinc/52/29/04/1173522904.db2.gz NQUWEEUMLSDJSB-PELKAZGASA-N -1 1 293.352 1.226 20 0 CDADMM CCc1cc(CNc2nc(C)cc(-c3nnn[n-]3)n2)on1 ZINC001590881918 1173535414 /nfs/dbraw/zinc/53/54/14/1173535414.db2.gz MWBLLOOMWATDHJ-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CCc1cc(CNc2nc(C)cc(-c3nn[n-]n3)n2)on1 ZINC001590881918 1173535419 /nfs/dbraw/zinc/53/54/19/1173535419.db2.gz MWBLLOOMWATDHJ-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CCc1nc(N[C@]2(C)CC2(C)C)cc(-c2nnn[n-]2)n1 ZINC001590915751 1173540437 /nfs/dbraw/zinc/54/04/37/1173540437.db2.gz HIUJLGATVXIIHT-CYBMUJFWSA-N -1 1 273.344 1.820 20 0 CDADMM CCc1nc(N[C@]2(C)CC2(C)C)cc(-c2nn[n-]n2)n1 ZINC001590915751 1173540440 /nfs/dbraw/zinc/54/04/40/1173540440.db2.gz HIUJLGATVXIIHT-CYBMUJFWSA-N -1 1 273.344 1.820 20 0 CDADMM CCn1nc(C)cc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001590966163 1173552791 /nfs/dbraw/zinc/55/27/91/1173552791.db2.gz WBUWBWSALHVOLU-UHFFFAOYSA-N -1 1 255.285 1.454 20 0 CDADMM CCn1nc(C)cc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001590966163 1173552796 /nfs/dbraw/zinc/55/27/96/1173552796.db2.gz WBUWBWSALHVOLU-UHFFFAOYSA-N -1 1 255.285 1.454 20 0 CDADMM CCn1ccnc1[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590961873 1173552822 /nfs/dbraw/zinc/55/28/22/1173552822.db2.gz DRCHQSZUKUBHMC-VIFPVBQESA-N -1 1 299.342 1.355 20 0 CDADMM CCn1ccnc1[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590961873 1173552827 /nfs/dbraw/zinc/55/28/27/1173552827.db2.gz DRCHQSZUKUBHMC-VIFPVBQESA-N -1 1 299.342 1.355 20 0 CDADMM CN(CC(F)(F)F)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591044632 1173564998 /nfs/dbraw/zinc/56/49/98/1173564998.db2.gz XJZBQIHVIZTSLV-UHFFFAOYSA-N -1 1 275.190 1.094 20 0 CDADMM CN(CC(F)(F)F)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591044632 1173565003 /nfs/dbraw/zinc/56/50/03/1173565003.db2.gz XJZBQIHVIZTSLV-UHFFFAOYSA-N -1 1 275.190 1.094 20 0 CDADMM CO[C@H](C)CCNc1ccc(C)nc1-c1nnn[n-]1 ZINC001591322605 1173608058 /nfs/dbraw/zinc/60/80/58/1173608058.db2.gz UDLGZEHWQIAXIR-SECBINFHSA-N -1 1 262.317 1.407 20 0 CDADMM CO[C@H](C)CCNc1ccc(C)nc1-c1nn[n-]n1 ZINC001591322605 1173608063 /nfs/dbraw/zinc/60/80/63/1173608063.db2.gz UDLGZEHWQIAXIR-SECBINFHSA-N -1 1 262.317 1.407 20 0 CDADMM COC1CCN(C(=O)c2csc(-c3nn[n-]n3)c2)CC1 ZINC001591355758 1173628969 /nfs/dbraw/zinc/62/89/69/1173628969.db2.gz CXNUFQBHNSNFGE-UHFFFAOYSA-N -1 1 293.352 1.179 20 0 CDADMM COCC(C)(C)CCNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591369190 1173631352 /nfs/dbraw/zinc/63/13/52/1173631352.db2.gz JQHCJMYVJXMGCN-UHFFFAOYSA-N -1 1 291.359 1.440 20 0 CDADMM COCC(C)(C)CCNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591369190 1173631357 /nfs/dbraw/zinc/63/13/57/1173631357.db2.gz JQHCJMYVJXMGCN-UHFFFAOYSA-N -1 1 291.359 1.440 20 0 CDADMM COCC(C)(C)CNc1cccc(-c2nnn[n-]2)n1 ZINC001591369170 1173632352 /nfs/dbraw/zinc/63/23/52/1173632352.db2.gz INUOFJCLJFIKEV-UHFFFAOYSA-N -1 1 262.317 1.346 20 0 CDADMM COCC(C)(C)CNc1cccc(-c2nn[n-]n2)n1 ZINC001591369170 1173632354 /nfs/dbraw/zinc/63/23/54/1173632354.db2.gz INUOFJCLJFIKEV-UHFFFAOYSA-N -1 1 262.317 1.346 20 0 CDADMM COCC1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001591394439 1173643884 /nfs/dbraw/zinc/64/38/84/1173643884.db2.gz SXHIEZLDFBYCBN-UHFFFAOYSA-N -1 1 294.384 1.494 20 0 CDADMM CSC(C)(C)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001591685006 1173678809 /nfs/dbraw/zinc/67/88/09/1173678809.db2.gz LGZUENBMOUIYGZ-UHFFFAOYSA-N -1 1 292.368 1.020 20 0 CDADMM CSC(C)(C)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001591685006 1173678815 /nfs/dbraw/zinc/67/88/15/1173678815.db2.gz LGZUENBMOUIYGZ-UHFFFAOYSA-N -1 1 292.368 1.020 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCc2ccncc2)c1 ZINC001591884747 1173738089 /nfs/dbraw/zinc/73/80/89/1173738089.db2.gz WPRWCVMDTMDGOG-UHFFFAOYSA-N -1 1 295.350 1.644 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCc2ccncc2)c1 ZINC001591884747 1173738093 /nfs/dbraw/zinc/73/80/93/1173738093.db2.gz WPRWCVMDTMDGOG-UHFFFAOYSA-N -1 1 295.350 1.644 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCCC2CCOCC2)n1 ZINC001591895907 1173740537 /nfs/dbraw/zinc/74/05/37/1173740537.db2.gz YLCYYBMIRBGSML-UHFFFAOYSA-N -1 1 289.343 1.194 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCCC2CCOCC2)n1 ZINC001591895907 1173740546 /nfs/dbraw/zinc/74/05/46/1173740546.db2.gz YLCYYBMIRBGSML-UHFFFAOYSA-N -1 1 289.343 1.194 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCC[C@H](C)C2)n1 ZINC001591893043 1173741351 /nfs/dbraw/zinc/74/13/51/1173741351.db2.gz XNUZCHUBPTZILY-WCBMZHEXSA-N -1 1 273.344 1.956 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCC[C@H](C)C2)n1 ZINC001591893043 1173741359 /nfs/dbraw/zinc/74/13/59/1173741359.db2.gz XNUZCHUBPTZILY-WCBMZHEXSA-N -1 1 273.344 1.956 20 0 CDADMM Cc1cc(C)c(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC001591945244 1173752224 /nfs/dbraw/zinc/75/22/24/1173752224.db2.gz DHTJFKMYXRNKHG-UHFFFAOYSA-N -1 1 298.306 1.748 20 0 CDADMM Cc1cc(C)c(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC001591945244 1173752234 /nfs/dbraw/zinc/75/22/34/1173752234.db2.gz DHTJFKMYXRNKHG-UHFFFAOYSA-N -1 1 298.306 1.748 20 0 CDADMM Cc1cc(N2CC[C@H]3C[C@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001592005114 1173772310 /nfs/dbraw/zinc/77/23/10/1173772310.db2.gz RTFLZYMHGYFCSS-UWVGGRQHSA-N -1 1 256.313 1.416 20 0 CDADMM Cc1cc(N2CC[C@H]3C[C@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001592005114 1173772315 /nfs/dbraw/zinc/77/23/15/1173772315.db2.gz RTFLZYMHGYFCSS-UWVGGRQHSA-N -1 1 256.313 1.416 20 0 CDADMM Cc1cc(N[C@H]2COC[C@H]2C)nc(-c2nnn[n-]2)c1 ZINC001592040326 1173780642 /nfs/dbraw/zinc/78/06/42/1173780642.db2.gz WCVAGGPRAXJERJ-SCZZXKLOSA-N -1 1 260.301 1.017 20 0 CDADMM Cc1cc(N[C@H]2COC[C@H]2C)nc(-c2nn[n-]n2)c1 ZINC001592040326 1173780644 /nfs/dbraw/zinc/78/06/44/1173780644.db2.gz WCVAGGPRAXJERJ-SCZZXKLOSA-N -1 1 260.301 1.017 20 0 CDADMM Cc1cc(NC[C@H]2CCC[C@@H](C)O2)cc(-c2nnn[n-]2)n1 ZINC001592043179 1173784364 /nfs/dbraw/zinc/78/43/64/1173784364.db2.gz CNUSEMHYKGHDEB-ZYHUDNBSSA-N -1 1 288.355 1.940 20 0 CDADMM Cc1cc(NC[C@H]2CCC[C@@H](C)O2)cc(-c2nn[n-]n2)n1 ZINC001592043179 1173784367 /nfs/dbraw/zinc/78/43/67/1173784367.db2.gz CNUSEMHYKGHDEB-ZYHUDNBSSA-N -1 1 288.355 1.940 20 0 CDADMM Cc1cc(Nc2cc(-c3nnn[n-]3)ncn2)ccc1N(C)C ZINC001592056734 1173790064 /nfs/dbraw/zinc/79/00/64/1173790064.db2.gz LIHWVRDTUIDDSP-UHFFFAOYSA-N -1 1 296.338 1.775 20 0 CDADMM Cc1cc(Nc2cc(-c3nn[n-]n3)ncn2)ccc1N(C)C ZINC001592056734 1173790071 /nfs/dbraw/zinc/79/00/71/1173790071.db2.gz LIHWVRDTUIDDSP-UHFFFAOYSA-N -1 1 296.338 1.775 20 0 CDADMM Cc1ccc(Cn2ccc(-c3nn[n-]n3)cc2=O)c(C)c1 ZINC001592171557 1173821252 /nfs/dbraw/zinc/82/12/52/1173821252.db2.gz IDPMZJLLUBFYDU-UHFFFAOYSA-N -1 1 281.319 1.694 20 0 CDADMM Cc1ccc(N(CCCCO)C2CC2)nc1-c1nnn[n-]1 ZINC001592174894 1173822650 /nfs/dbraw/zinc/82/26/50/1173822650.db2.gz GPMBWXRWCBLYRT-UHFFFAOYSA-N -1 1 288.355 1.311 20 0 CDADMM Cc1ccc(N(CCCCO)C2CC2)nc1-c1nn[n-]n1 ZINC001592174894 1173822656 /nfs/dbraw/zinc/82/26/56/1173822656.db2.gz GPMBWXRWCBLYRT-UHFFFAOYSA-N -1 1 288.355 1.311 20 0 CDADMM Cc1ccc(N(C)CC2=CCCOC2)c(-c2nnn[n-]2)n1 ZINC001592175084 1173823198 /nfs/dbraw/zinc/82/31/98/1173823198.db2.gz IHXAZZDXRLVBLI-UHFFFAOYSA-N -1 1 286.339 1.353 20 0 CDADMM Cc1ccc(N(C)CC2=CCCOC2)c(-c2nn[n-]n2)n1 ZINC001592175084 1173823200 /nfs/dbraw/zinc/82/32/00/1173823200.db2.gz IHXAZZDXRLVBLI-UHFFFAOYSA-N -1 1 286.339 1.353 20 0 CDADMM Cc1ccc(NCCCC(C)(C)CO)nc1-c1nnn[n-]1 ZINC001592185568 1173830577 /nfs/dbraw/zinc/83/05/77/1173830577.db2.gz DNZUWYVDKKJULN-UHFFFAOYSA-N -1 1 290.371 1.781 20 0 CDADMM Cc1ccc(NCCCC(C)(C)CO)nc1-c1nn[n-]n1 ZINC001592185568 1173830582 /nfs/dbraw/zinc/83/05/82/1173830582.db2.gz DNZUWYVDKKJULN-UHFFFAOYSA-N -1 1 290.371 1.781 20 0 CDADMM Cc1ccc(NCCC[C@@H]2CCOC2)c(-c2nnn[n-]2)n1 ZINC001592185713 1173831073 /nfs/dbraw/zinc/83/10/73/1173831073.db2.gz KCHKWFHBHZVFMP-LLVKDONJSA-N -1 1 288.355 1.799 20 0 CDADMM Cc1ccc(NCCC[C@@H]2CCOC2)c(-c2nn[n-]n2)n1 ZINC001592185713 1173831080 /nfs/dbraw/zinc/83/10/80/1173831080.db2.gz KCHKWFHBHZVFMP-LLVKDONJSA-N -1 1 288.355 1.799 20 0 CDADMM Cc1cccc(C)c1OCCn1cc(-c2nn[n-]n2)nn1 ZINC001592224769 1173834480 /nfs/dbraw/zinc/83/44/80/1173834480.db2.gz FIEPOVNUBFBZRK-UHFFFAOYSA-N -1 1 285.311 1.154 20 0 CDADMM Cc1ccnc(CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC001592272001 1173841403 /nfs/dbraw/zinc/84/14/03/1173841403.db2.gz XLMHJNFFJRKPOE-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1ccnc(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC001592272001 1173841406 /nfs/dbraw/zinc/84/14/06/1173841406.db2.gz XLMHJNFFJRKPOE-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1ccncc1[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001592277111 1173844266 /nfs/dbraw/zinc/84/42/66/1173844266.db2.gz IMBPLHZLZDVIAA-VIFPVBQESA-N -1 1 282.311 1.533 20 0 CDADMM Cc1ccncc1[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001592277111 1173844261 /nfs/dbraw/zinc/84/42/61/1173844261.db2.gz IMBPLHZLZDVIAA-VIFPVBQESA-N -1 1 282.311 1.533 20 0 CDADMM Cc1cocc1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592310002 1173847035 /nfs/dbraw/zinc/84/70/35/1173847035.db2.gz TUTMGLGFUIGQRU-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1[nH]nc(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)c1-c1nn[n-]n1 ZINC001592328915 1173856182 /nfs/dbraw/zinc/85/61/82/1173856182.db2.gz ZKLFAWHRCLHVHK-VGMNWLOBSA-N -1 1 287.327 1.273 20 0 CDADMM Cc1ncoc1-c1noc(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001592421207 1173888870 /nfs/dbraw/zinc/88/88/70/1173888870.db2.gz IMFFXMACNBMLTF-UHFFFAOYSA-N -1 1 296.250 1.275 20 0 CDADMM Cc1ncoc1-c1noc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001592421207 1173888876 /nfs/dbraw/zinc/88/88/76/1173888876.db2.gz IMFFXMACNBMLTF-UHFFFAOYSA-N -1 1 296.250 1.275 20 0 CDADMM Cc1noc(C)c1[C@H](C)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001592456032 1173894017 /nfs/dbraw/zinc/89/40/17/1173894017.db2.gz DAUGHYZNORVEQU-ZETCQYMHSA-N -1 1 285.311 1.462 20 0 CDADMM Cc1noc(C)c1[C@H](C)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001592456032 1173894028 /nfs/dbraw/zinc/89/40/28/1173894028.db2.gz DAUGHYZNORVEQU-ZETCQYMHSA-N -1 1 285.311 1.462 20 0 CDADMM Cc1nocc1COc1cccc(F)c1-c1nnn[n-]1 ZINC001592465858 1173898092 /nfs/dbraw/zinc/89/80/92/1173898092.db2.gz DAARDEHVMRSKNT-UHFFFAOYSA-N -1 1 275.243 1.881 20 0 CDADMM Cc1nocc1COc1cccc(F)c1-c1nn[n-]n1 ZINC001592465858 1173898097 /nfs/dbraw/zinc/89/80/97/1173898097.db2.gz DAARDEHVMRSKNT-UHFFFAOYSA-N -1 1 275.243 1.881 20 0 CDADMM FCCCCCOc1ccc(F)nc1-c1nnn[n-]1 ZINC001592629511 1173939301 /nfs/dbraw/zinc/93/93/01/1173939301.db2.gz HDBNONQYFPVYTB-UHFFFAOYSA-N -1 1 269.255 1.919 20 0 CDADMM FCCCCCOc1ccc(F)nc1-c1nn[n-]n1 ZINC001592629511 1173939305 /nfs/dbraw/zinc/93/93/05/1173939305.db2.gz HDBNONQYFPVYTB-UHFFFAOYSA-N -1 1 269.255 1.919 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C12CCC(CC1)CC2 ZINC001592753735 1173986869 /nfs/dbraw/zinc/98/68/69/1173986869.db2.gz HGRLTRIPCABWPX-UHFFFAOYSA-N -1 1 287.327 1.256 20 0 CDADMM O=C(N[C@H]1C=CCCC1)c1csc(-c2nn[n-]n2)c1 ZINC001592965790 1174008237 /nfs/dbraw/zinc/00/82/37/1174008237.db2.gz OTODKRVKKZZIGB-VIFPVBQESA-N -1 1 275.337 1.767 20 0 CDADMM O=C(NC1CC2(CCC2)C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001592970343 1174008717 /nfs/dbraw/zinc/00/87/17/1174008717.db2.gz OFOGSZIBRNAPLR-UHFFFAOYSA-N -1 1 284.323 1.324 20 0 CDADMM O=C(NC1CC2(CCC2)C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001592970343 1174008721 /nfs/dbraw/zinc/00/87/21/1174008721.db2.gz OFOGSZIBRNAPLR-UHFFFAOYSA-N -1 1 284.323 1.324 20 0 CDADMM O=C(NCC1(C2CC2)CC1)c1coc(-c2nnn[n-]2)c1 ZINC001593016912 1174012182 /nfs/dbraw/zinc/01/21/82/1174012182.db2.gz FWNXLFFMSITHDW-UHFFFAOYSA-N -1 1 273.296 1.380 20 0 CDADMM O=C(NCC1(C2CC2)CC1)c1coc(-c2nn[n-]n2)c1 ZINC001593016912 1174012185 /nfs/dbraw/zinc/01/21/85/1174012185.db2.gz FWNXLFFMSITHDW-UHFFFAOYSA-N -1 1 273.296 1.380 20 0 CDADMM O=C(NCC[C@H]1CC=CCC1)c1coc(-c2nnn[n-]2)c1 ZINC001593061894 1174018116 /nfs/dbraw/zinc/01/81/16/1174018116.db2.gz SPMIGULKRGDFMJ-JTQLQIEISA-N -1 1 287.323 1.936 20 0 CDADMM O=C(NCC[C@H]1CC=CCC1)c1coc(-c2nn[n-]n2)c1 ZINC001593061894 1174018123 /nfs/dbraw/zinc/01/81/23/1174018123.db2.gz SPMIGULKRGDFMJ-JTQLQIEISA-N -1 1 287.323 1.936 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001593198213 1174032152 /nfs/dbraw/zinc/03/21/52/1174032152.db2.gz ZZKPIIPXYYEUQH-HRDYMLBCSA-N -1 1 285.311 1.131 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001593198213 1174032161 /nfs/dbraw/zinc/03/21/61/1174032161.db2.gz ZZKPIIPXYYEUQH-HRDYMLBCSA-N -1 1 285.311 1.131 20 0 CDADMM O=C(Nc1ccns1)c1coc(-c2nnn[n-]2)c1 ZINC001593257275 1174043149 /nfs/dbraw/zinc/04/31/49/1174043149.db2.gz UYOPTNQMTSXOFD-UHFFFAOYSA-N -1 1 262.254 1.169 20 0 CDADMM O=C(Nc1ccns1)c1coc(-c2nn[n-]n2)c1 ZINC001593257275 1174043159 /nfs/dbraw/zinc/04/31/59/1174043159.db2.gz UYOPTNQMTSXOFD-UHFFFAOYSA-N -1 1 262.254 1.169 20 0 CDADMM O=C(OC[C@@H]1CC1(F)F)c1ccc(-c2nn[n-]n2)o1 ZINC001593285767 1174051373 /nfs/dbraw/zinc/05/13/73/1174051373.db2.gz YGOORCOFUYWMON-YFKPBYRVSA-N -1 1 270.195 1.272 20 0 CDADMM O=C(OCC[C@@H]1CC[C@H]2C[C@H]21)c1ccnc(-c2nnn[n-]2)c1 ZINC001593286553 1174052088 /nfs/dbraw/zinc/05/20/88/1174052088.db2.gz JSMQHEDCIIWGCQ-NHCYSSNCSA-N -1 1 299.334 1.855 20 0 CDADMM O=C(OCC[C@@H]1CC[C@H]2C[C@H]21)c1ccnc(-c2nn[n-]n2)c1 ZINC001593286553 1174052101 /nfs/dbraw/zinc/05/21/01/1174052101.db2.gz JSMQHEDCIIWGCQ-NHCYSSNCSA-N -1 1 299.334 1.855 20 0 CDADMM O=S(=O)(c1ccsc1-c1nn[n-]n1)N1CCCCC1 ZINC001593462228 1174078344 /nfs/dbraw/zinc/07/83/44/1174078344.db2.gz WTQXSOCZKGAJPW-UHFFFAOYSA-N -1 1 299.381 1.103 20 0 CDADMM O=c1c(-c2nn[n-]n2)cc2c(n1CC1=CCCC1)CCC2 ZINC001593490824 1174088758 /nfs/dbraw/zinc/08/87/58/1174088758.db2.gz OTPITEDDGOKNLB-UHFFFAOYSA-N -1 1 283.335 1.627 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1CC1CC(F)(F)C1 ZINC001593496856 1174090782 /nfs/dbraw/zinc/09/07/82/1174090782.db2.gz ZZWFHLQSKDHWBS-UHFFFAOYSA-N -1 1 267.239 1.074 20 0 CDADMM c1cc(CNCc2nc(-c3nnn[n-]3)cs2)sn1 ZINC001593554344 1174128523 /nfs/dbraw/zinc/12/85/23/1174128523.db2.gz PQXDIMDMVBTMGO-UHFFFAOYSA-N -1 1 279.354 1.070 20 0 CDADMM c1cc(CNCc2nc(-c3nn[n-]n3)cs2)sn1 ZINC001593554344 1174128528 /nfs/dbraw/zinc/12/85/28/1174128528.db2.gz PQXDIMDMVBTMGO-UHFFFAOYSA-N -1 1 279.354 1.070 20 0 CDADMM c1cc(N2CC[C@@H]3CCCC[C@H]3C2)nc(-c2nn[n-]n2)n1 ZINC001593558831 1174134251 /nfs/dbraw/zinc/13/42/51/1174134251.db2.gz HPGBASWHLHFEOU-QWRGUYRKSA-N -1 1 285.355 1.673 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@H]2CCCSC2)c1 ZINC001593583372 1174151144 /nfs/dbraw/zinc/15/11/44/1174151144.db2.gz ZNCMAAUDFCWTAQ-QMMMGPOBSA-N -1 1 262.342 1.569 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@H]2CCCSC2)c1 ZINC001593583372 1174151147 /nfs/dbraw/zinc/15/11/47/1174151147.db2.gz ZNCMAAUDFCWTAQ-QMMMGPOBSA-N -1 1 262.342 1.569 20 0 CDADMM Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2C)cc1C(=O)[O-] ZINC001600339456 1174447249 /nfs/dbraw/zinc/44/72/49/1174447249.db2.gz HOSKXBISEJKESF-CYBMUJFWSA-N -1 1 290.363 1.907 20 0 CDADMM Cc1coc(CC(=O)[O-])c1C(=O)N[C@@H]1CN2CCC1CC2 ZINC001600642108 1174548721 /nfs/dbraw/zinc/54/87/21/1174548721.db2.gz JRWLPVHNAQKNHU-LLVKDONJSA-N -1 1 292.335 1.039 20 0 CDADMM Cc1coc(CN2CCC([C@H](O)C(=O)[O-])CC2)c1 ZINC001600643935 1174549164 /nfs/dbraw/zinc/54/91/64/1174549164.db2.gz JOYHQRXNLCMQOG-LBPRGKRZSA-N -1 1 253.298 1.246 20 0 CDADMM Cc1ncsc1CCCN1CC[C@](F)(C(=O)[O-])C1 ZINC001600759438 1174598661 /nfs/dbraw/zinc/59/86/61/1174598661.db2.gz LOGYQUCOWIJLGC-GFCCVEGCSA-N -1 1 272.345 1.883 20 0 CDADMM Cc1nc([C@H](C)NCc2ccc(OCC(=O)[O-])cc2)n[nH]1 ZINC001600791997 1174611767 /nfs/dbraw/zinc/61/17/67/1174611767.db2.gz JERVXPKMKUGVAT-VIFPVBQESA-N -1 1 290.323 1.427 20 0 CDADMM Cc1oc(C[N@@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001600845939 1174639625 /nfs/dbraw/zinc/63/96/25/1174639625.db2.gz SBFUJRJYGWKAIE-UFBFGSQYSA-N -1 1 281.308 1.829 20 0 CDADMM OC[C@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000103668768 1174684096 /nfs/dbraw/zinc/68/40/96/1174684096.db2.gz XLKVCKYZNVLJIW-ZDUSSCGKSA-N -1 1 282.307 1.407 20 0 CDADMM OC[C@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000103668768 1174684100 /nfs/dbraw/zinc/68/41/00/1174684100.db2.gz XLKVCKYZNVLJIW-ZDUSSCGKSA-N -1 1 282.307 1.407 20 0 CDADMM c1cc(CCNc2ccnc(-c3nnn[n-]3)c2)ccn1 ZINC000103675122 1174684601 /nfs/dbraw/zinc/68/46/01/1174684601.db2.gz SJYWZDILZWXORM-UHFFFAOYSA-N -1 1 267.296 1.311 20 0 CDADMM c1cc(CCNc2ccnc(-c3nn[n-]n3)c2)ccn1 ZINC000103675122 1174684607 /nfs/dbraw/zinc/68/46/07/1174684607.db2.gz SJYWZDILZWXORM-UHFFFAOYSA-N -1 1 267.296 1.311 20 0 CDADMM Cn1nc2c(c1CNCc1c[nH]c(C(=O)[O-])c1)CCCC2 ZINC001601018495 1174704880 /nfs/dbraw/zinc/70/48/80/1174704880.db2.gz BLELZWGVRUWCMJ-UHFFFAOYSA-N -1 1 288.351 1.615 20 0 CDADMM O=C([O-])[C@H](NCC(=O)NCc1ccco1)C1CCCCC1 ZINC001601324933 1174832680 /nfs/dbraw/zinc/83/26/80/1174832680.db2.gz KRBKDBGTQOAYAI-CQSZACIVSA-N -1 1 294.351 1.519 20 0 CDADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)[C@H](F)c1ccccc1 ZINC001601568623 1174901173 /nfs/dbraw/zinc/90/11/73/1174901173.db2.gz XOLQIYLOMZLMAA-VXGBXAGGSA-N -1 1 291.282 1.232 20 0 CDADMM O=C([O-])c1cnc(NC(=O)c2ccc3cncn3c2)s1 ZINC001601634011 1174919449 /nfs/dbraw/zinc/91/94/49/1174919449.db2.gz YZEXLTXOXOHLLI-UHFFFAOYSA-N -1 1 288.288 1.741 20 0 CDADMM O=C([O-])[C@@H](CF)NCc1cnn(Cc2ccc(F)cc2)c1 ZINC001601649595 1174929962 /nfs/dbraw/zinc/92/99/62/1174929962.db2.gz KVILENWSPYKSOI-CYBMUJFWSA-N -1 1 295.289 1.583 20 0 CDADMM O=C([O-])C12CC(C(=O)Nc3ccn(-c4ccncc4)n3)(C1)C2 ZINC001601729526 1174971464 /nfs/dbraw/zinc/97/14/64/1174971464.db2.gz OHGKVYRACVSYFG-UHFFFAOYSA-N -1 1 298.302 1.461 20 0 CDADMM O=C([O-])Cc1c[nH]n(Cc2cccc3cccnc32)c1=O ZINC001601941583 1175076859 /nfs/dbraw/zinc/07/68/59/1175076859.db2.gz UQXKDOYYRKMZMF-GFCCVEGCSA-N -1 1 283.287 1.654 20 0 CDADMM O=C([O-])[C@@H](F)CNC[C@H](O)c1ccc(F)cc1Cl ZINC001602170118 1175150267 /nfs/dbraw/zinc/15/02/67/1175150267.db2.gz QHQPTXQSTCGDRP-UWVGGRQHSA-N -1 1 279.670 1.525 20 0 CDADMM O=C([O-])[C@@H]1CN(Cc2cocn2)C[C@H]1c1ccccc1 ZINC001602189949 1175156162 /nfs/dbraw/zinc/15/61/62/1175156162.db2.gz WBENGDZRNMSXRF-UONOGXRCSA-N -1 1 272.304 1.975 20 0 CDADMM O=C([O-])[C@H]1CCCN(CN2C[C@@H](C3CCCC3)CC2=O)C1 ZINC001602212206 1175167990 /nfs/dbraw/zinc/16/79/90/1175167990.db2.gz KJBWUWZVFFPEGE-KBPBESRZSA-N -1 1 294.395 1.779 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](C(=O)Nc2nnc(C3CCC3)[nH]2)C1 ZINC001602216388 1175171429 /nfs/dbraw/zinc/17/14/29/1175171429.db2.gz LXNHWTNMYOEJOZ-OCAPTIKFSA-N -1 1 264.285 1.122 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](C(=O)Nc2n[nH]c(C3CCC3)n2)C1 ZINC001602216388 1175171433 /nfs/dbraw/zinc/17/14/33/1175171433.db2.gz LXNHWTNMYOEJOZ-OCAPTIKFSA-N -1 1 264.285 1.122 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2nc3ccc(F)cc3[nH]2)on1 ZINC001602249134 1175181121 /nfs/dbraw/zinc/18/11/21/1175181121.db2.gz IGSSYJQWCFJAES-UHFFFAOYSA-N -1 1 290.210 1.641 20 0 CDADMM O=C([O-])c1ccc(CN2CC[C@@H]([C@@H](O)C(F)(F)F)C2)o1 ZINC001602336160 1175209881 /nfs/dbraw/zinc/20/98/81/1175209881.db2.gz LWSCHKYMWWKLJZ-GMSGAONNSA-N -1 1 293.241 1.723 20 0 CDADMM O=C([O-])c1ccccc1CN1CCO[C@@]2(CCCOC2)C1 ZINC001602468799 1175250605 /nfs/dbraw/zinc/25/06/05/1175250605.db2.gz NVSYVGZNOASZLR-INIZCTEOSA-N -1 1 291.347 1.766 20 0 CDADMM O=C([O-])c1cnoc1CN1CCSC2(CCOCC2)C1 ZINC001602545435 1175285001 /nfs/dbraw/zinc/28/50/01/1175285001.db2.gz DAAIIDYDYHGKEI-UHFFFAOYSA-N -1 1 298.364 1.471 20 0 CDADMM c1nc(NC2CCC=CCC2)cc(-c2nnn[n-]2)n1 ZINC001602750008 1175385676 /nfs/dbraw/zinc/38/56/76/1175385676.db2.gz RBZFSXCSFYNANV-UHFFFAOYSA-N -1 1 257.301 1.567 20 0 CDADMM c1nc(NC2CCC=CCC2)cc(-c2nn[n-]n2)n1 ZINC001602750008 1175385679 /nfs/dbraw/zinc/38/56/79/1175385679.db2.gz RBZFSXCSFYNANV-UHFFFAOYSA-N -1 1 257.301 1.567 20 0 CDADMM CC(=O)OC[C@H](C)NCc1ccc(C(=O)[O-])cc1F ZINC001603088139 1175488798 /nfs/dbraw/zinc/48/87/98/1175488798.db2.gz SXFKCYKPQDFYLL-QMMMGPOBSA-N -1 1 269.272 1.565 20 0 CDADMM CC(C)(F)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001603157841 1175505488 /nfs/dbraw/zinc/50/54/88/1175505488.db2.gz LALSBFDMVIZYFH-UHFFFAOYSA-N -1 1 256.266 1.010 20 0 CDADMM CC(C)(F)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001603157841 1175505491 /nfs/dbraw/zinc/50/54/91/1175505491.db2.gz LALSBFDMVIZYFH-UHFFFAOYSA-N -1 1 256.266 1.010 20 0 CDADMM Cn1ncnc1[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000126926351 1175523976 /nfs/dbraw/zinc/52/39/76/1175523976.db2.gz BWCSDQHAPYDHPV-BQYQJAHWSA-N -1 1 264.310 1.228 20 0 CDADMM C[C@H](Cc1cccs1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001603584820 1175572073 /nfs/dbraw/zinc/57/20/73/1175572073.db2.gz HZQQMLCCGAXCGT-SECBINFHSA-N -1 1 286.364 1.788 20 0 CDADMM C[C@H](Cc1cccs1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001603584820 1175572077 /nfs/dbraw/zinc/57/20/77/1175572077.db2.gz HZQQMLCCGAXCGT-SECBINFHSA-N -1 1 286.364 1.788 20 0 CDADMM CC(C)(CC(=O)[O-])NCc1nc(N)c2ccccc2n1 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/nfs/dbraw/zinc/41/67/83/575416783.db2.gz XZEASJDDSOZDKH-SNVBAGLBSA-N -1 1 299.754 1.659 20 0 CDADMM C[C@@H](C(=O)N1CCC(c2nn[n-]n2)CC1)c1cccs1 ZINC000735519845 575482444 /nfs/dbraw/zinc/48/24/44/575482444.db2.gz MRMBMOPMBRGEAI-SECBINFHSA-N -1 1 291.380 1.771 20 0 CDADMM CC(C)(C)n1cc(Nc2nccnc2-c2nnn[n-]2)cn1 ZINC000735661515 575498561 /nfs/dbraw/zinc/49/85/61/575498561.db2.gz MPHRYHXGQSIXIW-UHFFFAOYSA-N -1 1 285.315 1.352 20 0 CDADMM CC(C)(C)n1cc(Nc2nccnc2-c2nn[n-]n2)cn1 ZINC000735661515 575498565 /nfs/dbraw/zinc/49/85/65/575498565.db2.gz MPHRYHXGQSIXIW-UHFFFAOYSA-N -1 1 285.315 1.352 20 0 CDADMM CC(C)CC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735796397 575511034 /nfs/dbraw/zinc/51/10/34/575511034.db2.gz BFROTQWWWACCJJ-JTQLQIEISA-N -1 1 288.355 1.816 20 0 CDADMM CC(C)CC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735796397 575511035 /nfs/dbraw/zinc/51/10/35/575511035.db2.gz BFROTQWWWACCJJ-JTQLQIEISA-N -1 1 288.355 1.816 20 0 CDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)Oc1ccccc1 ZINC000736026944 575551867 /nfs/dbraw/zinc/55/18/67/575551867.db2.gz SGOMPSLSJPNXQE-JTQLQIEISA-N -1 1 297.322 1.536 20 0 CDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)Oc1ccccc1 ZINC000736026944 575551870 /nfs/dbraw/zinc/55/18/70/575551870.db2.gz SGOMPSLSJPNXQE-JTQLQIEISA-N -1 1 297.322 1.536 20 0 CDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)Cc2ccccc21 ZINC000736291562 575613654 /nfs/dbraw/zinc/61/36/54/575613654.db2.gz FSISWLHGWLXHFL-SNVBAGLBSA-N -1 1 293.334 1.780 20 0 CDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)Cc2ccccc21 ZINC000736291562 575613657 /nfs/dbraw/zinc/61/36/57/575613657.db2.gz FSISWLHGWLXHFL-SNVBAGLBSA-N -1 1 293.334 1.780 20 0 CDADMM CC[C@H](C)[C@H](O)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736328817 575625415 /nfs/dbraw/zinc/62/54/15/575625415.db2.gz ICYRFKHKVJJIFI-IONNQARKSA-N -1 1 296.762 1.734 20 0 CDADMM CC[C@H](C)[C@H](O)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736328817 575625416 /nfs/dbraw/zinc/62/54/16/575625416.db2.gz ICYRFKHKVJJIFI-IONNQARKSA-N -1 1 296.762 1.734 20 0 CDADMM CC(C)N(CCC(=O)[O-])CC(=O)c1cccn1C ZINC000736466464 575671051 /nfs/dbraw/zinc/67/10/51/575671051.db2.gz ZGRRCJHQZNKQBO-UHFFFAOYSA-N -1 1 252.314 1.393 20 0 CDADMM CCCn1cc(CNCc2cccc(-c3nn[nH]n3)c2)cn1 ZINC000736503578 575677707 /nfs/dbraw/zinc/67/77/07/575677707.db2.gz YNDMFUAOMFQONN-UHFFFAOYSA-N -1 1 297.366 1.763 20 0 CDADMM C[C@H](CN(C)CC(=O)Nc1ccc(Cl)cn1)C(=O)[O-] ZINC000736570221 575692685 /nfs/dbraw/zinc/69/26/85/575692685.db2.gz BZUZSKAKWVNGSY-MRVPVSSYSA-N -1 1 285.731 1.326 20 0 CDADMM CC(C)N(CC(=O)Nc1ccc(C(=O)[O-])cc1)C[C@H](C)O ZINC000736677531 575717916 /nfs/dbraw/zinc/71/79/16/575717916.db2.gz MYBBHWQGXFXUMK-NSHDSACASA-N -1 1 294.351 1.415 20 0 CDADMM O=C([O-])C1(NC(=O)[C@H]2CCCc3[nH]ncc32)CCCCC1 ZINC000772862179 575759707 /nfs/dbraw/zinc/75/97/07/575759707.db2.gz TUWYYXUYYZERSJ-JTQLQIEISA-N -1 1 291.351 1.733 20 0 CDADMM CCC[C@@](C)(NCC(=O)N(C)c1nccs1)C(=O)[O-] ZINC000736960692 575777787 /nfs/dbraw/zinc/77/77/87/575777787.db2.gz ONJYSNBPPKHZAE-GFCCVEGCSA-N -1 1 285.369 1.339 20 0 CDADMM O=C(CCc1ccco1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773159686 575787024 /nfs/dbraw/zinc/78/70/24/575787024.db2.gz LIUZWHWRIPZCNW-JTQLQIEISA-N -1 1 293.352 1.042 20 0 CDADMM O=C(c1ccccc1F)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773160631 575787037 /nfs/dbraw/zinc/78/70/37/575787037.db2.gz NOMLNDHVLMMYDQ-JTQLQIEISA-N -1 1 293.327 1.269 20 0 CDADMM CCCN(C)CC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000737007028 575791184 /nfs/dbraw/zinc/79/11/84/575791184.db2.gz AOSAUHFQDWNTNF-UHFFFAOYSA-N -1 1 268.288 1.804 20 0 CDADMM CCCCN1C(=O)N=NC1SC/C=C(\C)C(=O)[O-] ZINC000737009092 575793033 /nfs/dbraw/zinc/79/30/33/575793033.db2.gz NUAOLZSSPXBBML-VMPITWQZSA-N -1 1 271.342 1.907 20 0 CDADMM COc1ccc(Nc2nccnc2-c2nnn[n-]2)cc1OC ZINC000737105853 575821349 /nfs/dbraw/zinc/82/13/49/575821349.db2.gz KJHXGJHSZBGWBB-UHFFFAOYSA-N -1 1 299.294 1.418 20 0 CDADMM COc1ccc(Nc2nccnc2-c2nn[n-]n2)cc1OC ZINC000737105853 575821350 /nfs/dbraw/zinc/82/13/50/575821350.db2.gz KJHXGJHSZBGWBB-UHFFFAOYSA-N -1 1 299.294 1.418 20 0 CDADMM CC[C@@H](C)NC(=O)COC(=O)c1ccc([O-])cc1F ZINC000773575270 575827099 /nfs/dbraw/zinc/82/70/99/575827099.db2.gz XHCWLYYQKDOKIZ-MRVPVSSYSA-N -1 1 269.272 1.603 20 0 CDADMM COCCc1noc(COC(=O)c2ccc([O-])cc2F)n1 ZINC000773569834 575827289 /nfs/dbraw/zinc/82/72/89/575827289.db2.gz XAFSFHQJJXZMIG-UHFFFAOYSA-N -1 1 296.254 1.460 20 0 CDADMM C[C@@H](CN(C)C(=O)c1cc2occc2[nH]1)c1nn[n-]n1 ZINC000774005028 575848087 /nfs/dbraw/zinc/84/80/87/575848087.db2.gz NQQXZNUHFSZUAQ-ZETCQYMHSA-N -1 1 274.284 1.150 20 0 CDADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)c2ccco2)o1 ZINC000764782869 575946645 /nfs/dbraw/zinc/94/66/45/575946645.db2.gz QMSRHVZEAWNXAG-MRVPVSSYSA-N -1 1 299.304 1.699 20 0 CDADMM Cc1cccc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)c1C ZINC000737381890 575951034 /nfs/dbraw/zinc/95/10/34/575951034.db2.gz ONCIMDWAXFNKES-LBPRGKRZSA-N -1 1 287.323 1.030 20 0 CDADMM CN(Cc1ccc(Br)o1)C[C@](C)(O)C(=O)[O-] ZINC000737452203 575967542 /nfs/dbraw/zinc/96/75/42/575967542.db2.gz ZEQIGPPLHFLJND-JTQLQIEISA-N -1 1 292.129 1.310 20 0 CDADMM Cc1cccc(C)c1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765482587 576028792 /nfs/dbraw/zinc/02/87/92/576028792.db2.gz ZUDLZHDFIFRAPC-UHFFFAOYSA-N -1 1 261.281 1.082 20 0 CDADMM Cc1cc(CN2CCC[C@@H]2Cn2cncn2)oc1C(=O)[O-] ZINC000738381659 576065120 /nfs/dbraw/zinc/06/51/20/576065120.db2.gz AJSWVJNXWGQEOY-LLVKDONJSA-N -1 1 290.323 1.542 20 0 CDADMM Cn1nc(C(C)(C)C)cc1NC(=O)CNC(C)(C)C(=O)[O-] ZINC000738418742 576071252 /nfs/dbraw/zinc/07/12/52/576071252.db2.gz LPWVQGCWVQCORH-UHFFFAOYSA-N -1 1 296.371 1.109 20 0 CDADMM Cc1cc(NC(=O)CN(C)C(C)C)c(C(=O)[O-])[nH]1 ZINC000738427034 576072847 /nfs/dbraw/zinc/07/28/47/576072847.db2.gz AKWVMSWRIBPSEX-UHFFFAOYSA-N -1 1 253.302 1.300 20 0 CDADMM c1ccc([C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC000738429067 576073036 /nfs/dbraw/zinc/07/30/36/576073036.db2.gz SKOCIWTWMKYGNU-LBPRGKRZSA-N -1 1 293.334 1.651 20 0 CDADMM c1ccc([C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC000738429067 576073041 /nfs/dbraw/zinc/07/30/41/576073041.db2.gz SKOCIWTWMKYGNU-LBPRGKRZSA-N -1 1 293.334 1.651 20 0 CDADMM c1nc(-c2nn[n-]n2)nn1Cc1ccc2ccccc2c1 ZINC000738442498 576075346 /nfs/dbraw/zinc/07/53/46/576075346.db2.gz OYRHJPSQRZGKPS-UHFFFAOYSA-N -1 1 277.291 1.660 20 0 CDADMM O=C([O-])NCc1ccc(NC(=O)c2ncccc2O)cc1 ZINC000739992047 576408379 /nfs/dbraw/zinc/40/83/79/576408379.db2.gz MOAJBSVYSUTZSW-UHFFFAOYSA-N -1 1 287.275 1.807 20 0 CDADMM Cc1cccn2cc(CC(=O)[N-]OCC(F)F)nc12 ZINC000760145530 576461606 /nfs/dbraw/zinc/46/16/06/576461606.db2.gz BJXBWGNUSOEQID-UHFFFAOYSA-N -1 1 269.251 1.498 20 0 CDADMM CC(C)c1cnc(CS(=O)(=O)c2n[n-]c(C3CC3)n2)o1 ZINC000760248095 576469700 /nfs/dbraw/zinc/46/97/00/576469700.db2.gz HVVARMMGIJJRSH-UHFFFAOYSA-N -1 1 296.352 1.767 20 0 CDADMM CN1CCO[C@H]2CN(C(=O)c3c([O-])cccc3Cl)C[C@@H]21 ZINC000761608094 576585244 /nfs/dbraw/zinc/58/52/44/576585244.db2.gz LPQDUOHVKSJBPU-JQWIXIFHSA-N -1 1 296.754 1.201 20 0 CDADMM CCC[C@H](NC(=O)COC1(C)CCC1)c1nn[n-]n1 ZINC000746206733 576762278 /nfs/dbraw/zinc/76/22/78/576762278.db2.gz CIRDBYJMSVSLDW-VIFPVBQESA-N -1 1 267.333 1.116 20 0 CDADMM C[N-]S(=O)(=O)c1cc(C(=O)OCCC2(C)CC2)co1 ZINC000764229178 576786368 /nfs/dbraw/zinc/78/63/68/576786368.db2.gz URAIXPQPCYRWCE-UHFFFAOYSA-N -1 1 287.337 1.535 20 0 CDADMM O=C(NCC1(CO)CCC1)c1c([O-])cccc1Cl ZINC000753291912 577159234 /nfs/dbraw/zinc/15/92/34/577159234.db2.gz YKODPCJGYVOBPS-UHFFFAOYSA-N -1 1 269.728 1.938 20 0 CDADMM CCCC1(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)CCC1 ZINC000759192870 577159526 /nfs/dbraw/zinc/15/95/26/577159526.db2.gz YKOTYIHZHZUOBQ-SNVBAGLBSA-N -1 1 279.344 1.070 20 0 CDADMM O=C([O-])/C=C/c1ccc(CN2CC3(C2)CCCOC3)o1 ZINC001601879006 1175047015 /nfs/dbraw/zinc/04/70/15/1175047015.db2.gz CIIGJQISQQQENY-SNAWJCMRSA-N -1 1 277.320 1.990 20 0 CDADMM O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])no1 ZINC001601974310 1175092832 /nfs/dbraw/zinc/09/28/32/1175092832.db2.gz AREJSYDAGFJXLO-VIFPVBQESA-N -1 1 282.296 1.592 20 0 CDADMM O=C([O-])CCCN1CCC([NH2+]CC2(C(=O)[O-])CCC2)CC1 ZINC001601990367 1175100260 /nfs/dbraw/zinc/10/02/60/1175100260.db2.gz FABBBSUPRUURMJ-UHFFFAOYSA-N -1 1 298.383 1.160 20 0 CDADMM O=C([O-])CC[N@@H+](CC(=O)[O-])[C@@H]1CCc2ccc(F)cc21 ZINC001602004780 1175107913 /nfs/dbraw/zinc/10/79/13/1175107913.db2.gz LMHJBVGEZUOAGX-GFCCVEGCSA-N -1 1 281.283 1.674 20 0 CDADMM CC[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1)N(C)C ZINC000828587622 602148045 /nfs/dbraw/zinc/14/80/45/602148045.db2.gz VMZFSDHHZIKIHO-NSHDSACASA-N -1 1 250.298 1.664 20 0 CDADMM O=C([O-])c1ccc(Cl)c(CN(CCO)CCCO)c1 ZINC001602357996 1175222640 /nfs/dbraw/zinc/22/26/40/1175222640.db2.gz NMOJXCRENSLKLG-UHFFFAOYSA-N -1 1 287.743 1.215 20 0 CDADMM CN(CCC(=O)[O-])CC(=O)N1CCCc2ccccc21 ZINC000037932654 597004871 /nfs/dbraw/zinc/00/48/71/597004871.db2.gz VWFCLDLQRGJFNP-UHFFFAOYSA-N -1 1 276.336 1.372 20 0 CDADMM O=C([O-])c1ccc(OCCNC(=O)c2[nH]ncc2F)cc1 ZINC001602390998 1175231046 /nfs/dbraw/zinc/23/10/46/1175231046.db2.gz GVMLFLUHARLCPW-UHFFFAOYSA-N -1 1 293.254 1.056 20 0 CDADMM O=C([O-])[C@@H](NC(=O)c1[nH]nc2c1CCC2)c1ccccc1 ZINC000238027001 597261371 /nfs/dbraw/zinc/26/13/71/597261371.db2.gz OZLMVEBPCSYBDQ-LBPRGKRZSA-N -1 1 285.303 1.454 20 0 CDADMM COc1ccccc1NC(=O)[C@H](C)N1CC[C@H](C(=O)[O-])C1 ZINC000818631446 597531221 /nfs/dbraw/zinc/53/12/21/597531221.db2.gz XPQLTAGKKLZMPS-QWRGUYRKSA-N -1 1 292.335 1.429 20 0 CDADMM COc1ccc(NC(=O)CN2CC[C@H](C(=O)[O-])C2)cc1 ZINC000062134382 597536483 /nfs/dbraw/zinc/53/64/83/597536483.db2.gz IUNKGWIYAXUQFS-JTQLQIEISA-N -1 1 278.308 1.040 20 0 CDADMM O=C([O-])C1([NH2+]CCC[N-]C(=O)C(F)(F)F)CCCCC1 ZINC000821426240 598172465 /nfs/dbraw/zinc/17/24/65/598172465.db2.gz KVNSWCLSFQYCFD-UHFFFAOYSA-N -1 1 296.289 1.432 20 0 CDADMM CCc1cc(CNCc2cccc(C(=O)[O-])c2)[nH]n1 ZINC000820474357 598203666 /nfs/dbraw/zinc/20/36/66/598203666.db2.gz SCRSIRLVWZTTQN-UHFFFAOYSA-N -1 1 259.309 1.960 20 0 CDADMM CCC[C@@](C)(NCC(=O)N1CCCC[C@H]1C)C(=O)[O-] ZINC000036808645 600461730 /nfs/dbraw/zinc/46/17/30/600461730.db2.gz BOXHNLKFZLIXQM-BXUZGUMPSA-N -1 1 270.373 1.620 20 0 CDADMM Cc1cccc(Nc2nccnc2-c2nnn[n-]2)c1 ZINC000095213799 598335762 /nfs/dbraw/zinc/33/57/62/598335762.db2.gz WJSYKADBPQLMGG-UHFFFAOYSA-N -1 1 253.269 1.709 20 0 CDADMM Cc1cccc(Nc2nccnc2-c2nn[n-]n2)c1 ZINC000095213799 598335765 /nfs/dbraw/zinc/33/57/65/598335765.db2.gz WJSYKADBPQLMGG-UHFFFAOYSA-N -1 1 253.269 1.709 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCC2CCCCC2)n1 ZINC000095183887 598335642 /nfs/dbraw/zinc/33/56/42/598335642.db2.gz YEYCETXLYANREX-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCC2CCCCC2)n1 ZINC000095183887 598335644 /nfs/dbraw/zinc/33/56/44/598335644.db2.gz YEYCETXLYANREX-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM CCc1cnc(CNCc2ccc(-c3nnn[n-]3)o2)s1 ZINC000821499512 599460238 /nfs/dbraw/zinc/46/02/38/599460238.db2.gz LXYUZJGKQURLLN-UHFFFAOYSA-N -1 1 290.352 1.768 20 0 CDADMM CCc1cnc(CNCc2ccc(-c3nn[n-]n3)o2)s1 ZINC000821499512 599460240 /nfs/dbraw/zinc/46/02/40/599460240.db2.gz LXYUZJGKQURLLN-UHFFFAOYSA-N -1 1 290.352 1.768 20 0 CDADMM C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820684129 599546947 /nfs/dbraw/zinc/54/69/47/599546947.db2.gz MJVLMSYHEZIEEC-ZJUUUORDSA-N -1 1 286.339 1.522 20 0 CDADMM C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820684129 599546948 /nfs/dbraw/zinc/54/69/48/599546948.db2.gz MJVLMSYHEZIEEC-ZJUUUORDSA-N -1 1 286.339 1.522 20 0 CDADMM CN(Cc1ccccc1)C(=O)CNC(C)(C)C(=O)[O-] ZINC000087625765 599925273 /nfs/dbraw/zinc/92/52/73/599925273.db2.gz IRJWLRHIFTYEHS-UHFFFAOYSA-N -1 1 264.325 1.098 20 0 CDADMM CC(C)(NCC(=O)N1CCSc2ccccc21)C(=O)[O-] ZINC000087624564 599925322 /nfs/dbraw/zinc/92/53/22/599925322.db2.gz VTBGVDLKXVTMQX-UHFFFAOYSA-N -1 1 294.376 1.578 20 0 CDADMM O=C([O-])[C@H]1CC12CCN(c1ncnc3[nH]cnc31)CC2 ZINC000405455658 600282636 /nfs/dbraw/zinc/28/26/36/600282636.db2.gz XZGIORPGBHNPKC-MRVPVSSYSA-N -1 1 273.296 1.044 20 0 CDADMM C[C@H]1CN2CCCC[C@@H]2CN1C(=O)NCCCCC(=O)[O-] ZINC000094442273 600330687 /nfs/dbraw/zinc/33/06/87/600330687.db2.gz YKVBWPYTFBZDIQ-QWHCGFSZSA-N -1 1 297.399 1.510 20 0 CDADMM C[C@H](O)C1CCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000235549970 600332038 /nfs/dbraw/zinc/33/20/38/600332038.db2.gz GHPHGPMYDPYZRM-VIFPVBQESA-N -1 1 253.298 1.571 20 0 CDADMM O=C([O-])c1ccncc1NS(=O)(=O)c1cccc(F)c1 ZINC000079701010 600513240 /nfs/dbraw/zinc/51/32/40/600513240.db2.gz WSVPTTULRQUEHV-UHFFFAOYSA-N -1 1 296.279 1.720 20 0 CDADMM c1cn(C2CC2)c(Sc2cccc(-c3nnn[n-]3)n2)n1 ZINC000826517934 607896108 /nfs/dbraw/zinc/89/61/08/607896108.db2.gz VCUDFGXNEQBDAU-UHFFFAOYSA-N -1 1 285.336 1.944 20 0 CDADMM c1cn(C2CC2)c(Sc2cccc(-c3nn[n-]n3)n2)n1 ZINC000826517934 607896109 /nfs/dbraw/zinc/89/61/09/607896109.db2.gz VCUDFGXNEQBDAU-UHFFFAOYSA-N -1 1 285.336 1.944 20 0 CDADMM CCC[C@@H]1[C@H](C)CCCN1Cn1cnc(C(=O)[O-])n1 ZINC000829256272 600713568 /nfs/dbraw/zinc/71/35/68/600713568.db2.gz OEKDUYNGTJRJSJ-GHMZBOCLSA-N -1 1 266.345 1.834 20 0 CDADMM O=C([O-])[C@H]1CC12CCN(CN1C(=O)CC13CCC3)CC2 ZINC000833177666 600714170 /nfs/dbraw/zinc/71/41/70/600714170.db2.gz LVBLVNCOGIZCPP-LLVKDONJSA-N -1 1 278.352 1.286 20 0 CDADMM C[C@@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)N(C)C ZINC000832803118 601137881 /nfs/dbraw/zinc/13/78/81/601137881.db2.gz GZFFVSSDQOUXED-ZETCQYMHSA-N -1 1 270.716 1.927 20 0 CDADMM C[C@@](NCC(=O)NCCC1CCCCC1)(C(=O)[O-])C1CC1 ZINC000827729282 601176830 /nfs/dbraw/zinc/17/68/30/601176830.db2.gz ZFXPFAZPROUPAD-INIZCTEOSA-N -1 1 296.411 1.916 20 0 CDADMM CN(Cc1cn[nH]c1)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000830865161 601388657 /nfs/dbraw/zinc/38/86/57/601388657.db2.gz JZTJXQLSOAIDBR-GFCCVEGCSA-N -1 1 263.272 1.807 20 0 CDADMM COC[C@@](C)(CC(=O)[O-])NCc1nccn1C(C)C ZINC000831584360 601487304 /nfs/dbraw/zinc/48/73/04/601487304.db2.gz DRDSBOZDNPGIBL-CYBMUJFWSA-N -1 1 269.345 1.433 20 0 CDADMM COC[C@@](C)(CC(=O)[O-])NCc1ccc(C(=O)OC)o1 ZINC000831578833 601488909 /nfs/dbraw/zinc/48/89/09/601488909.db2.gz RMPLQGTVMPAZGM-CYBMUJFWSA-N -1 1 285.296 1.036 20 0 CDADMM COc1cccc(NC(=O)CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000227148888 601520814 /nfs/dbraw/zinc/52/08/14/601520814.db2.gz RJZBVRBTQMGJTO-ZWNOBZJWSA-N -1 1 292.335 1.286 20 0 CDADMM COc1cccc(S(=O)(=O)[N-]c2ccc(CO)cc2)c1 ZINC000124248580 1175314595 /nfs/dbraw/zinc/31/45/95/1175314595.db2.gz IVTFPRJCJTUVTL-UHFFFAOYSA-N -1 1 293.344 1.988 20 0 CDADMM CNC(=O)[C@H]1CCCN1Cc1cc(C(=O)[O-])sc1C ZINC000155969137 601620375 /nfs/dbraw/zinc/62/03/75/601620375.db2.gz GOWKMCNDKQDVOK-SNVBAGLBSA-N -1 1 282.365 1.465 20 0 CDADMM CCCN(CC(=O)NC)Cc1cc(C(=O)[O-])sc1C ZINC000155969554 601639117 /nfs/dbraw/zinc/63/91/17/601639117.db2.gz HCRJJNSZGCHDBY-UHFFFAOYSA-N -1 1 284.381 1.713 20 0 CDADMM CC(C)c1noc([C@@H](C)NCC(C)(C)C(=O)[O-])n1 ZINC000827175485 601645224 /nfs/dbraw/zinc/64/52/24/601645224.db2.gz SOHWJJHVKITMCI-MRVPVSSYSA-N -1 1 255.318 1.954 20 0 CDADMM O=C([O-])C[C@@H]1C(=O)NCCN1CCCC1CCCC1 ZINC000833206855 601806177 /nfs/dbraw/zinc/80/61/77/601806177.db2.gz BEQNGUNDQHZKEG-GFCCVEGCSA-N -1 1 268.357 1.232 20 0 CDADMM Cc1ccc2oc(=O)n(CN3C[C@@H](C)[C@H](C(=O)[O-])C3)c2c1 ZINC000832960122 601819912 /nfs/dbraw/zinc/81/99/12/601819912.db2.gz MIDYALRQULRNCL-GHMZBOCLSA-N -1 1 290.319 1.513 20 0 CDADMM CC[C@@H](C)[C@@H](NCC(=O)N(C)Cc1ccccc1)C(=O)[O-] ZINC000828737091 601845250 /nfs/dbraw/zinc/84/52/50/601845250.db2.gz KNYGIINXJATEJS-IUODEOHRSA-N -1 1 292.379 1.734 20 0 CDADMM CN(C)Cc1ccsc1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000830623639 602030892 /nfs/dbraw/zinc/03/08/92/602030892.db2.gz HHUMOQPQNROINM-AWEZNQCLSA-N -1 1 296.392 1.747 20 0 CDADMM Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3C[C@H]3C(=O)[O-])n2)o1 ZINC000832907539 602144011 /nfs/dbraw/zinc/14/40/11/602144011.db2.gz BJYARBXYVJLMIL-NKWVEPMBSA-N -1 1 276.252 1.032 20 0 CDADMM O=C(Nc1cccc(O)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826457016 607645300 /nfs/dbraw/zinc/64/53/00/607645300.db2.gz IUKDLRXNVYSQHE-UHFFFAOYSA-N -1 1 287.304 1.886 20 0 CDADMM O=C(Nc1cccc(O)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826457016 607645301 /nfs/dbraw/zinc/64/53/01/607645301.db2.gz IUKDLRXNVYSQHE-UHFFFAOYSA-N -1 1 287.304 1.886 20 0 CDADMM Cc1cc(CN2CCOC[C@H](C)C2)oc1C(=O)[O-] ZINC000399181408 604483700 /nfs/dbraw/zinc/48/37/00/604483700.db2.gz OUCCVJNUDFIQNA-SECBINFHSA-N -1 1 253.298 1.755 20 0 CDADMM O=C([O-])c1ccc(CN2CCS[C@@H]3COCC[C@H]32)o1 ZINC000833313970 604681013 /nfs/dbraw/zinc/68/10/13/604681013.db2.gz BZUJKYLXFHLRKE-ZYHUDNBSSA-N -1 1 283.349 1.684 20 0 CDADMM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000833180276 604746617 /nfs/dbraw/zinc/74/66/17/604746617.db2.gz AQYZPFAFCKGRCB-DMTCNVIQSA-N -1 1 263.175 1.088 20 0 CDADMM C[C@@H]1[C@H](C)N(Cc2noc(CCCC(=O)[O-])n2)CCN1C ZINC000833589035 604851801 /nfs/dbraw/zinc/85/18/01/604851801.db2.gz SZVXDJHHYRKOFO-MNOVXSKESA-N -1 1 296.371 1.001 20 0 CDADMM C[C@@H]1CN(C)C[C@@H](C)N1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000833622584 605092109 /nfs/dbraw/zinc/09/21/09/605092109.db2.gz IFIHQSCXYNVSJJ-OKZRHMCRSA-N -1 1 282.384 1.428 20 0 CDADMM CC(C)CCN(CN1C[C@H](C(=O)[O-])CC1=O)C1CC1 ZINC000833483834 605168400 /nfs/dbraw/zinc/16/84/00/605168400.db2.gz QQCMWQZZKKPAGN-LLVKDONJSA-N -1 1 268.357 1.388 20 0 CDADMM O=C([O-])[C@@H](O)C1CCN(CCc2cccc(F)c2F)CC1 ZINC000833770562 605381566 /nfs/dbraw/zinc/38/15/66/605381566.db2.gz JBLKKCJFXMGKAE-AWEZNQCLSA-N -1 1 299.317 1.665 20 0 CDADMM CC(C)[C@@H](CO)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820183959 606103288 /nfs/dbraw/zinc/10/32/88/606103288.db2.gz PDYDPEOHKKIYMW-CQSZACIVSA-N -1 1 298.350 1.266 20 0 CDADMM CC(C)[C@@H](CO)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820183959 606103289 /nfs/dbraw/zinc/10/32/89/606103289.db2.gz PDYDPEOHKKIYMW-CQSZACIVSA-N -1 1 298.350 1.266 20 0 CDADMM CC(C)[C@H](C)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820016394 606167593 /nfs/dbraw/zinc/16/75/93/606167593.db2.gz LPWINNYWHYUQTE-QMMMGPOBSA-N -1 1 292.347 1.108 20 0 CDADMM CC(C)[C@H](C)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820016394 606167595 /nfs/dbraw/zinc/16/75/95/606167595.db2.gz LPWINNYWHYUQTE-QMMMGPOBSA-N -1 1 292.347 1.108 20 0 CDADMM CS[C@@H](C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000821949045 606194937 /nfs/dbraw/zinc/19/49/37/606194937.db2.gz FJHBFXYPPJLHRC-LURJTMIESA-N -1 1 279.325 1.262 20 0 CDADMM CO[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000821697656 606426257 /nfs/dbraw/zinc/42/62/57/606426257.db2.gz KUUXFTIRKGGIMO-YFKPBYRVSA-N -1 1 286.748 1.202 20 0 CDADMM CO[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000821697656 606426259 /nfs/dbraw/zinc/42/62/59/606426259.db2.gz KUUXFTIRKGGIMO-YFKPBYRVSA-N -1 1 286.748 1.202 20 0 CDADMM c1cncc([C@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)c1 ZINC000823816661 606445693 /nfs/dbraw/zinc/44/56/93/606445693.db2.gz VVPDYCZDTACAGW-CYBMUJFWSA-N -1 1 293.334 1.998 20 0 CDADMM c1cncc([C@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)c1 ZINC000823816661 606445694 /nfs/dbraw/zinc/44/56/94/606445694.db2.gz VVPDYCZDTACAGW-CYBMUJFWSA-N -1 1 293.334 1.998 20 0 CDADMM CC[C@H]1COCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821001857 606466683 /nfs/dbraw/zinc/46/66/83/606466683.db2.gz SNQAQDBIXANZIS-QMMMGPOBSA-N -1 1 294.746 1.530 20 0 CDADMM CC[C@H]1COCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821001857 606466685 /nfs/dbraw/zinc/46/66/85/606466685.db2.gz SNQAQDBIXANZIS-QMMMGPOBSA-N -1 1 294.746 1.530 20 0 CDADMM O=C([N-]c1nncs1)c1cc(-c2nn[nH]n2)cs1 ZINC000823383152 606486610 /nfs/dbraw/zinc/48/66/10/606486610.db2.gz MQASMRPZZTVDTN-UHFFFAOYSA-N -1 1 279.310 1.032 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H]1CCCO1 ZINC000820391448 606506220 /nfs/dbraw/zinc/50/62/20/606506220.db2.gz QAIGKSOABMBRTQ-SFYZADRCSA-N -1 1 293.352 1.226 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H]1CCCO1 ZINC000820391448 606506221 /nfs/dbraw/zinc/50/62/21/606506221.db2.gz QAIGKSOABMBRTQ-SFYZADRCSA-N -1 1 293.352 1.226 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CCCO1 ZINC000820391447 606506237 /nfs/dbraw/zinc/50/62/37/606506237.db2.gz QAIGKSOABMBRTQ-JGVFFNPUSA-N -1 1 293.352 1.226 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CCCO1 ZINC000820391447 606506239 /nfs/dbraw/zinc/50/62/39/606506239.db2.gz QAIGKSOABMBRTQ-JGVFFNPUSA-N -1 1 293.352 1.226 20 0 CDADMM CSC[C@@H](C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821956416 606651235 /nfs/dbraw/zinc/65/12/35/606651235.db2.gz OBIGIZQPOJILQK-MRVPVSSYSA-N -1 1 293.352 1.304 20 0 CDADMM CSC[C@@H](C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821956416 606651236 /nfs/dbraw/zinc/65/12/36/606651236.db2.gz OBIGIZQPOJILQK-MRVPVSSYSA-N -1 1 293.352 1.304 20 0 CDADMM C1=C(CCNc2nccnc2-c2nnn[n-]2)CCC1 ZINC000823867975 607809131 /nfs/dbraw/zinc/80/91/31/607809131.db2.gz LNKKPGUNHPCABN-UHFFFAOYSA-N -1 1 257.301 1.569 20 0 CDADMM C1=C(CCNc2nccnc2-c2nn[n-]n2)CCC1 ZINC000823867975 607809132 /nfs/dbraw/zinc/80/91/32/607809132.db2.gz LNKKPGUNHPCABN-UHFFFAOYSA-N -1 1 257.301 1.569 20 0 CDADMM CC(C)OCCOc1cccc(F)c1-c1nnn[n-]1 ZINC000824314490 607864942 /nfs/dbraw/zinc/86/49/42/607864942.db2.gz BPZWJAIGTMPCDN-UHFFFAOYSA-N -1 1 266.276 1.810 20 0 CDADMM CC(C)OCCOc1cccc(F)c1-c1nn[n-]n1 ZINC000824314490 607864943 /nfs/dbraw/zinc/86/49/43/607864943.db2.gz BPZWJAIGTMPCDN-UHFFFAOYSA-N -1 1 266.276 1.810 20 0 CDADMM Clc1ccc(OCCn2ccnc2-c2nnn[n-]2)cc1 ZINC000826352816 608013837 /nfs/dbraw/zinc/01/38/37/608013837.db2.gz PCIBMZPIQAWLSN-UHFFFAOYSA-N -1 1 290.714 1.796 20 0 CDADMM Clc1ccc(OCCn2ccnc2-c2nn[n-]n2)cc1 ZINC000826352816 608013838 /nfs/dbraw/zinc/01/38/38/608013838.db2.gz PCIBMZPIQAWLSN-UHFFFAOYSA-N -1 1 290.714 1.796 20 0 CDADMM CC[C@@H](OC(=O)c1sccc1-c1nn[n-]n1)C(=O)OC ZINC000825154159 608103942 /nfs/dbraw/zinc/10/39/42/608103942.db2.gz MDGOLNDCBOUSLH-SSDOTTSWSA-N -1 1 296.308 1.037 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C12CCC(CC1)C2 ZINC000826467070 608143255 /nfs/dbraw/zinc/14/32/55/608143255.db2.gz GELACGDTJKTOPA-UHFFFAOYSA-N -1 1 299.334 1.885 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C12CCC(CC1)C2 ZINC000826467070 608143256 /nfs/dbraw/zinc/14/32/56/608143256.db2.gz GELACGDTJKTOPA-UHFFFAOYSA-N -1 1 299.334 1.885 20 0 CDADMM CC[C@@H](C)N(OC)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825066942 608193453 /nfs/dbraw/zinc/19/34/53/608193453.db2.gz FWAVYSNZOAKGGV-SSDOTTSWSA-N -1 1 281.341 1.730 20 0 CDADMM CC[C@@H](C)N(OC)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825066942 608193454 /nfs/dbraw/zinc/19/34/54/608193454.db2.gz FWAVYSNZOAKGGV-SSDOTTSWSA-N -1 1 281.341 1.730 20 0 CDADMM CC[C@H](CSC)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000825125941 608296892 /nfs/dbraw/zinc/29/68/92/608296892.db2.gz FZSJZUNZYRICDL-MRVPVSSYSA-N -1 1 279.373 1.235 20 0 CDADMM CC[C@H](CSC)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000825125941 608296894 /nfs/dbraw/zinc/29/68/94/608296894.db2.gz FZSJZUNZYRICDL-MRVPVSSYSA-N -1 1 279.373 1.235 20 0 CDADMM Fc1ccc(Oc2ccc(-c3nnn[n-]3)nn2)c(F)c1 ZINC000826375780 608390525 /nfs/dbraw/zinc/39/05/25/608390525.db2.gz BJQOPQJHZFYMDT-UHFFFAOYSA-N -1 1 276.206 1.727 20 0 CDADMM Fc1ccc(Oc2ccc(-c3nn[n-]n3)nn2)c(F)c1 ZINC000826375780 608390526 /nfs/dbraw/zinc/39/05/26/608390526.db2.gz BJQOPQJHZFYMDT-UHFFFAOYSA-N -1 1 276.206 1.727 20 0 CDADMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ccc(-c2nnn[n-]2)nn1 ZINC000824901598 608424591 /nfs/dbraw/zinc/42/45/91/608424591.db2.gz ZHTOWPANHDHAAR-JFGNBEQYSA-N -1 1 285.355 1.814 20 0 CDADMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ccc(-c2nn[n-]n2)nn1 ZINC000824901598 608424592 /nfs/dbraw/zinc/42/45/92/608424592.db2.gz ZHTOWPANHDHAAR-JFGNBEQYSA-N -1 1 285.355 1.814 20 0 CDADMM CC[C@H](C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825058819 608425000 /nfs/dbraw/zinc/42/50/00/608425000.db2.gz AGFDQXUSIMZCCK-IUCAKERBSA-N -1 1 261.333 1.893 20 0 CDADMM CC[C@H](C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825058819 608425002 /nfs/dbraw/zinc/42/50/02/608425002.db2.gz AGFDQXUSIMZCCK-IUCAKERBSA-N -1 1 261.333 1.893 20 0 CDADMM c1cc(N2CCC[C@@H]3CCC[C@@H]32)nnc1-c1nnn[n-]1 ZINC000826517275 608425277 /nfs/dbraw/zinc/42/52/77/608425277.db2.gz WTNFCYOZLXSRLU-ONGXEEELSA-N -1 1 271.328 1.426 20 0 CDADMM c1cc(N2CCC[C@@H]3CCC[C@@H]32)nnc1-c1nn[n-]n1 ZINC000826517275 608425278 /nfs/dbraw/zinc/42/52/78/608425278.db2.gz WTNFCYOZLXSRLU-ONGXEEELSA-N -1 1 271.328 1.426 20 0 CDADMM CCC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825251835 608431741 /nfs/dbraw/zinc/43/17/41/608431741.db2.gz DKMRGWYHJSVXRY-SNVBAGLBSA-N 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ZINC001604127545 1163097509 /nfs/dbraw/zinc/09/75/09/1163097509.db2.gz DYNPVCGLEOKDCL-UHFFFAOYSA-N -1 1 263.301 1.768 20 0 CDADMM CCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001604185381 1163118912 /nfs/dbraw/zinc/11/89/12/1163118912.db2.gz JHMWUDFZBLXHTG-UHFFFAOYSA-N -1 1 287.370 1.007 20 0 CDADMM CCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001604185381 1163118915 /nfs/dbraw/zinc/11/89/15/1163118915.db2.gz JHMWUDFZBLXHTG-UHFFFAOYSA-N -1 1 287.370 1.007 20 0 CDADMM C[C@H](Oc1ccccc1CN1C[C@H]2C[C@@]2(CO)C1)C(=O)[O-] ZINC001604443820 1163190342 /nfs/dbraw/zinc/19/03/42/1163190342.db2.gz RZCYKQMBXUMLGI-GHJWDPDVSA-N -1 1 291.347 1.353 20 0 CDADMM CC[C@@H]1C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001604491308 1163204611 /nfs/dbraw/zinc/20/46/11/1163204611.db2.gz OZRBFNZHMGAHOU-HZGVNTEJSA-N -1 1 292.730 1.443 20 0 CDADMM CCc1ccncc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001604536564 1163222655 /nfs/dbraw/zinc/22/26/55/1163222655.db2.gz DKAZKFGYBWYGBB-UHFFFAOYSA-N -1 1 284.279 1.669 20 0 CDADMM CCc1ccnc(CNc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001604536573 1163224031 /nfs/dbraw/zinc/22/40/31/1163224031.db2.gz DXUOXWLJQHHQQP-UHFFFAOYSA-N -1 1 282.311 1.226 20 0 CDADMM CCc1ccnc(CNc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001604536573 1163224036 /nfs/dbraw/zinc/22/40/36/1163224036.db2.gz DXUOXWLJQHHQQP-UHFFFAOYSA-N -1 1 282.311 1.226 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](C)[C@@H]2CC)n1 ZINC001604544405 1163224428 /nfs/dbraw/zinc/22/44/28/1163224428.db2.gz WWEBRNPATXRSPQ-KOLCDFICSA-N -1 1 287.371 1.844 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](C)[C@@H]2CC)n1 ZINC001604544405 1163224433 /nfs/dbraw/zinc/22/44/33/1163224433.db2.gz WWEBRNPATXRSPQ-KOLCDFICSA-N -1 1 287.371 1.844 20 0 CDADMM CCc1nc(N[C@@H](CCO)C(C)C)cc(-c2nnn[n-]2)n1 ZINC001604555827 1163228228 /nfs/dbraw/zinc/22/82/28/1163228228.db2.gz JLDRODVGQPAPQQ-VIFPVBQESA-N -1 1 291.359 1.038 20 0 CDADMM CCc1nc(N[C@@H](CCO)C(C)C)cc(-c2nn[n-]n2)n1 ZINC001604555827 1163228233 /nfs/dbraw/zinc/22/82/33/1163228233.db2.gz JLDRODVGQPAPQQ-VIFPVBQESA-N -1 1 291.359 1.038 20 0 CDADMM CN(C)c1ccccc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001604702524 1163290395 /nfs/dbraw/zinc/29/03/95/1163290395.db2.gz PMJKADWJOHEPMJ-UHFFFAOYSA-N -1 1 296.338 1.335 20 0 CDADMM CN(C)c1ccccc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001604702524 1163290401 /nfs/dbraw/zinc/29/04/01/1163290401.db2.gz PMJKADWJOHEPMJ-UHFFFAOYSA-N -1 1 296.338 1.335 20 0 CDADMM CN(Cc1nccs1)c1ccnc(-c2nnn[n-]2)c1 ZINC001604823524 1163342207 /nfs/dbraw/zinc/34/22/07/1163342207.db2.gz CMWWWYUUDVBRAQ-UHFFFAOYSA-N -1 1 273.325 1.355 20 0 CDADMM CN(Cc1nccs1)c1ccnc(-c2nn[n-]n2)c1 ZINC001604823524 1163342212 /nfs/dbraw/zinc/34/22/12/1163342212.db2.gz CMWWWYUUDVBRAQ-UHFFFAOYSA-N -1 1 273.325 1.355 20 0 CDADMM COC(=O)c1ccc(N2[C@H](C)C[C@H]2C)c(-c2nnn[n-]2)n1 ZINC001604973417 1163403614 /nfs/dbraw/zinc/40/36/14/1163403614.db2.gz PSOHXHVPUXHFTO-HTQZYQBOSA-N -1 1 288.311 1.035 20 0 CDADMM COC(=O)c1ccc(N2[C@H](C)C[C@H]2C)c(-c2nn[n-]n2)n1 ZINC001604973417 1163403616 /nfs/dbraw/zinc/40/36/16/1163403616.db2.gz PSOHXHVPUXHFTO-HTQZYQBOSA-N -1 1 288.311 1.035 20 0 CDADMM CC[C@@]1(O)CCN([C@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC001605148354 1163468447 /nfs/dbraw/zinc/46/84/47/1163468447.db2.gz DOFNGNGHCPFHOD-GXTWGEPZSA-N -1 1 267.300 1.798 20 0 CDADMM CCCNC(=O)CN(CCC)C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC001605330896 1163527074 /nfs/dbraw/zinc/52/70/74/1163527074.db2.gz LPXCPBNPOPPHMT-LBPRGKRZSA-N -1 1 298.383 1.372 20 0 CDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)c1ncccc1F ZINC001605404753 1163551801 /nfs/dbraw/zinc/55/18/01/1163551801.db2.gz GVROSIIXFJSGRI-SSDOTTSWSA-N -1 1 286.274 1.364 20 0 CDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)c1ncccc1F ZINC001605404753 1163551809 /nfs/dbraw/zinc/55/18/09/1163551809.db2.gz GVROSIIXFJSGRI-SSDOTTSWSA-N -1 1 286.274 1.364 20 0 CDADMM CCN1CC[C@@H]1CNC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001605473956 1163576064 /nfs/dbraw/zinc/57/60/64/1163576064.db2.gz CCSLVGUEVDHAJS-CQSZACIVSA-N -1 1 290.363 1.528 20 0 CDADMM Cc1cc(NC[C@@H](C)C[C@@H](C)O)nc(-c2nnn[n-]2)c1 ZINC001605725952 1163652047 /nfs/dbraw/zinc/65/20/47/1163652047.db2.gz DHTSGNQWRSXWKP-VHSXEESVSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1cc(NC[C@@H](C)C[C@@H](C)O)nc(-c2nn[n-]n2)c1 ZINC001605725952 1163652053 /nfs/dbraw/zinc/65/20/53/1163652053.db2.gz DHTSGNQWRSXWKP-VHSXEESVSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1ccc(N[C@H]2CO[C@@H](C3CC3)C2)nc1-c1nnn[n-]1 ZINC001605871940 1163700954 /nfs/dbraw/zinc/70/09/54/1163700954.db2.gz OMZWYISCLWFDLK-GHMZBOCLSA-N -1 1 286.339 1.550 20 0 CDADMM Cc1ccc(N[C@H]2CO[C@@H](C3CC3)C2)nc1-c1nn[n-]n1 ZINC001605871940 1163700958 /nfs/dbraw/zinc/70/09/58/1163700958.db2.gz OMZWYISCLWFDLK-GHMZBOCLSA-N -1 1 286.339 1.550 20 0 CDADMM Cc1cccc([C@H](O)CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001605907572 1163712089 /nfs/dbraw/zinc/71/20/89/1163712089.db2.gz KJGZGQYQQXBFOZ-GFCCVEGCSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1cccc([C@H](O)CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001605907572 1163712097 /nfs/dbraw/zinc/71/20/97/1163712097.db2.gz KJGZGQYQQXBFOZ-GFCCVEGCSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1[nH]nc(NCc2ccc3cc[nH]c3c2)c1-c1nnn[n-]1 ZINC001606013600 1163743438 /nfs/dbraw/zinc/74/34/38/1163743438.db2.gz DXELNMMOPGMGCS-UHFFFAOYSA-N -1 1 294.322 1.992 20 0 CDADMM Cc1[nH]nc(NCc2ccc3cc[nH]c3c2)c1-c1nn[n-]n1 ZINC001606013600 1163743444 /nfs/dbraw/zinc/74/34/44/1163743444.db2.gz DXELNMMOPGMGCS-UHFFFAOYSA-N -1 1 294.322 1.992 20 0 CDADMM Cc1nc(-c2noc(-c3ccnc(-c4nnn[n-]4)c3)n2)co1 ZINC001606023640 1163749383 /nfs/dbraw/zinc/74/93/83/1163749383.db2.gz ANQJXCPYWYRYLT-UHFFFAOYSA-N -1 1 296.250 1.275 20 0 CDADMM Cc1nc(-c2noc(-c3ccnc(-c4nn[n-]n4)c3)n2)co1 ZINC001606023640 1163749389 /nfs/dbraw/zinc/74/93/89/1163749389.db2.gz ANQJXCPYWYRYLT-UHFFFAOYSA-N -1 1 296.250 1.275 20 0 CDADMM CN(C)Cc1ccc(C(=O)N[C@@H](CC2CC2)C(=O)[O-])cn1 ZINC001606033731 1163752923 /nfs/dbraw/zinc/75/29/23/1163752923.db2.gz JOZPMWPDKJAEPO-ZDUSSCGKSA-N -1 1 291.351 1.126 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)CCC1CC1 ZINC001606165351 1163793279 /nfs/dbraw/zinc/79/32/79/1163793279.db2.gz SZVSZHUDMXVDHY-UHFFFAOYSA-N -1 1 275.312 1.640 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)CCC1CC1 ZINC001606165351 1163793288 /nfs/dbraw/zinc/79/32/88/1163793288.db2.gz SZVSZHUDMXVDHY-UHFFFAOYSA-N -1 1 275.312 1.640 20 0 CDADMM Cc1nsc(Oc2cccnc2-c2nnn[n-]2)n1 ZINC001606163816 1163793569 /nfs/dbraw/zinc/79/35/69/1163793569.db2.gz RQNLEYYGMLQHHJ-UHFFFAOYSA-N -1 1 261.270 1.214 20 0 CDADMM Cc1nsc(Oc2cccnc2-c2nn[n-]n2)n1 ZINC001606163816 1163793577 /nfs/dbraw/zinc/79/35/77/1163793577.db2.gz RQNLEYYGMLQHHJ-UHFFFAOYSA-N -1 1 261.270 1.214 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC001606169131 1163795828 /nfs/dbraw/zinc/79/58/28/1163795828.db2.gz OJNZRDDSCDVNIF-WDEREUQCSA-N -1 1 287.323 1.687 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC001606169131 1163795834 /nfs/dbraw/zinc/79/58/34/1163795834.db2.gz OJNZRDDSCDVNIF-WDEREUQCSA-N -1 1 287.323 1.687 20 0 CDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CC2CC(C)(C)C2)n1 ZINC001606221758 1163818462 /nfs/dbraw/zinc/81/84/62/1163818462.db2.gz OCGDGUFQIOZHKG-UHFFFAOYSA-N -1 1 289.343 1.365 20 0 CDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CC2CC(C)(C)C2)n1 ZINC001606221758 1163818469 /nfs/dbraw/zinc/81/84/69/1163818469.db2.gz OCGDGUFQIOZHKG-UHFFFAOYSA-N -1 1 289.343 1.365 20 0 CDADMM CN[C@H](C)c1cn([C@@H]2CCC[C@H](C(=O)[O-])C2)nn1 ZINC001606294750 1163840257 /nfs/dbraw/zinc/84/02/57/1163840257.db2.gz GLSDCMXHCARKQV-KXUCPTDWSA-N -1 1 252.318 1.374 20 0 CDADMM FC(F)O[C@H]1CC[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1 ZINC001606298029 1163842639 /nfs/dbraw/zinc/84/26/39/1163842639.db2.gz CHXCUXNTJROMEB-VIFPVBQESA-N -1 1 296.281 1.075 20 0 CDADMM F[C@]1(c2ccccc2)C[C@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001606300341 1163846896 /nfs/dbraw/zinc/84/68/96/1163846896.db2.gz UHRPROKEOLSOBX-RISCZKNCSA-N -1 1 297.297 1.706 20 0 CDADMM F[C@]1(c2ccccc2)C[C@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001606300341 1163846899 /nfs/dbraw/zinc/84/68/99/1163846899.db2.gz UHRPROKEOLSOBX-RISCZKNCSA-N -1 1 297.297 1.706 20 0 CDADMM Fc1cccc(CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001606327779 1163862795 /nfs/dbraw/zinc/86/27/95/1163862795.db2.gz IJPCODXCKLQPAK-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM Fc1cccc(CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001606327779 1163862799 /nfs/dbraw/zinc/86/27/99/1163862799.db2.gz IJPCODXCKLQPAK-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM COCCN(C/C=C(\C)C(=O)[O-])Cc1c(C)nn(C)c1C ZINC001606884399 1164023785 /nfs/dbraw/zinc/02/37/85/1164023785.db2.gz AEUFEAFWPQMDLC-IZZDOVSWSA-N -1 1 295.383 1.516 20 0 CDADMM COCCN(Cc1cc(C(=O)[O-])c(C)n1C)[C@@H]1CCOC1 ZINC001606890239 1164024438 /nfs/dbraw/zinc/02/44/38/1164024438.db2.gz WORFQPABCQKEGD-GFCCVEGCSA-N -1 1 296.367 1.269 20 0 CDADMM COCCOc1ccc(CN[C@@H](CF)C(=O)[O-])cc1 ZINC001606913672 1164029864 /nfs/dbraw/zinc/02/98/64/1164029864.db2.gz ZOBAQMXFNGZWMG-LBPRGKRZSA-N -1 1 271.288 1.224 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCC[C@H]2C[C@H]21 ZINC001606943907 1164033920 /nfs/dbraw/zinc/03/39/20/1164033920.db2.gz HFIOGPDDZQRTNN-GZMMTYOYSA-N -1 1 285.311 1.278 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCC[C@H]2C[C@H]21 ZINC001606943907 1164033926 /nfs/dbraw/zinc/03/39/26/1164033926.db2.gz HFIOGPDDZQRTNN-GZMMTYOYSA-N -1 1 285.311 1.278 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)NC1(C2CC2)CC1 ZINC001606944145 1164033988 /nfs/dbraw/zinc/03/39/88/1164033988.db2.gz MGLXFSZPRTXXNM-UHFFFAOYSA-N -1 1 285.311 1.326 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)NC1(C2CC2)CC1 ZINC001606944145 1164033995 /nfs/dbraw/zinc/03/39/95/1164033995.db2.gz MGLXFSZPRTXXNM-UHFFFAOYSA-N -1 1 285.311 1.326 20 0 CDADMM c1ccc2c(c1)OCCN2Cc1cccc(-c2nnn[n-]2)n1 ZINC001607118792 1164102059 /nfs/dbraw/zinc/10/20/59/1164102059.db2.gz SQUUEGYQZHDFLF-UHFFFAOYSA-N -1 1 294.318 1.661 20 0 CDADMM c1ccc2c(c1)OCCN2Cc1cccc(-c2nn[n-]n2)n1 ZINC001607118792 1164102064 /nfs/dbraw/zinc/10/20/64/1164102064.db2.gz SQUUEGYQZHDFLF-UHFFFAOYSA-N -1 1 294.318 1.661 20 0 CDADMM c1cc(N2CC3CCC2CC3)nnc1-c1nnn[n-]1 ZINC001607120109 1164103307 /nfs/dbraw/zinc/10/33/07/1164103307.db2.gz NBULDRNZGLUYRU-UHFFFAOYSA-N -1 1 257.301 1.036 20 0 CDADMM c1cc(N2CC3CCC2CC3)nnc1-c1nn[n-]n1 ZINC001607120109 1164103308 /nfs/dbraw/zinc/10/33/08/1164103308.db2.gz NBULDRNZGLUYRU-UHFFFAOYSA-N -1 1 257.301 1.036 20 0 CDADMM c1cncc([C@@H]2C[C@H]2CNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001607135458 1164115359 /nfs/dbraw/zinc/11/53/59/1164115359.db2.gz DRYRUYNSYQPLRY-AAEUAGOBSA-N -1 1 293.334 1.294 20 0 CDADMM c1cncc([C@@H]2C[C@H]2CNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001607135458 1164115362 /nfs/dbraw/zinc/11/53/62/1164115362.db2.gz DRYRUYNSYQPLRY-AAEUAGOBSA-N -1 1 293.334 1.294 20 0 CDADMM c1nc(N2CC[C@H](C3CCCC3)C2)cnc1-c1nnn[n-]1 ZINC001607137095 1164116612 /nfs/dbraw/zinc/11/66/12/1164116612.db2.gz HRYCZUHLVOYQOG-NSHDSACASA-N -1 1 285.355 1.673 20 0 CDADMM c1nc(N2CC[C@H](C3CCCC3)C2)cnc1-c1nn[n-]n1 ZINC001607137095 1164116615 /nfs/dbraw/zinc/11/66/15/1164116615.db2.gz HRYCZUHLVOYQOG-NSHDSACASA-N -1 1 285.355 1.673 20 0 CDADMM Cc1cc([C@H](C)N2CC[C@H](NC(N)=O)C2)oc1C(=O)[O-] ZINC001607607348 1164239567 /nfs/dbraw/zinc/23/95/67/1164239567.db2.gz GYQSKYWJMKBJJU-IUCAKERBSA-N -1 1 281.312 1.090 20 0 CDADMM Cc1cc(CNCc2cc(C(=O)[O-])c3n2CCCC3)[nH]n1 ZINC001607648542 1164257770 /nfs/dbraw/zinc/25/77/70/1164257770.db2.gz MYPIRGXEOJNCDE-UHFFFAOYSA-N -1 1 288.351 1.844 20 0 CDADMM Cn1cccc1C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000343406957 1164333228 /nfs/dbraw/zinc/33/32/28/1164333228.db2.gz RBQYQBVAAJGPHA-UHFFFAOYSA-N -1 1 298.306 1.370 20 0 CDADMM Cc1nccc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)n1 ZINC001607987200 1164362309 /nfs/dbraw/zinc/36/23/09/1164362309.db2.gz ZDWMEZNJXZPAQS-UHFFFAOYSA-N -1 1 297.274 1.612 20 0 CDADMM Nc1ccnc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)n1 ZINC001608273835 1164476625 /nfs/dbraw/zinc/47/66/25/1164476625.db2.gz DAASLHNBIBQGIL-GARJFASQSA-N -1 1 276.340 1.134 20 0 CDADMM O=C([O-])[C@H](Cc1ccccc1)NCC(=O)Nc1ccccc1 ZINC001608338794 1164493001 /nfs/dbraw/zinc/49/30/01/1164493001.db2.gz CYCATIAIIWRVMJ-HNNXBMFYSA-N -1 1 298.342 1.911 20 0 CDADMM O=C([O-])C1(Cc2cn(Cc3nc[nH]n3)nn2)CCCCC1 ZINC001608576249 1164551691 /nfs/dbraw/zinc/55/16/91/1164551691.db2.gz UBZVNUMHMQFVKA-UHFFFAOYSA-N -1 1 290.327 1.022 20 0 CDADMM O=C([O-])c1csc(CN2CC[C@@]23CCOC3)c1 ZINC001608991609 1164712278 /nfs/dbraw/zinc/71/22/78/1164712278.db2.gz DUAGTFFMMFHLDY-LBPRGKRZSA-N -1 1 253.323 1.811 20 0 CDADMM C(=Cc1ccccc1)CNc1n[nH]cc1-c1nnn[n-]1 ZINC001609021944 1164729129 /nfs/dbraw/zinc/72/91/29/1164729129.db2.gz NGUPVCSVWMCVDI-DAXSKMNVSA-N -1 1 267.296 1.715 20 0 CDADMM C(=Cc1ccccc1)CNc1n[nH]cc1-c1nn[n-]n1 ZINC001609021944 1164729133 /nfs/dbraw/zinc/72/91/33/1164729133.db2.gz NGUPVCSVWMCVDI-DAXSKMNVSA-N -1 1 267.296 1.715 20 0 CDADMM O=C([O-])c1occc1C[N@H+]1CCNC(=O)CC12CCC2 ZINC001609033308 1164735289 /nfs/dbraw/zinc/73/52/89/1164735289.db2.gz BGISTYIUUTYBHD-UHFFFAOYSA-N -1 1 278.308 1.222 20 0 CDADMM C[C@]1(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)C[C@H]2C[C@H]2C1 ZINC001609142852 1164788351 /nfs/dbraw/zinc/78/83/51/1164788351.db2.gz PHSJBVFLSTWXOI-HBYGRHMLSA-N -1 1 299.334 1.741 20 0 CDADMM C[C@]1(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)C[C@H]2C[C@H]2C1 ZINC001609142852 1164788360 /nfs/dbraw/zinc/78/83/60/1164788360.db2.gz PHSJBVFLSTWXOI-HBYGRHMLSA-N -1 1 299.334 1.741 20 0 CDADMM CC1(C)CCN(c2nccnc2-c2nnn[n-]2)CCS1 ZINC001609146035 1164792585 /nfs/dbraw/zinc/79/25/85/1164792585.db2.gz OVKREIJMHYIUGG-UHFFFAOYSA-N -1 1 291.384 1.379 20 0 CDADMM CC1(C)CCN(c2nccnc2-c2nn[n-]n2)CCS1 ZINC001609146035 1164792592 /nfs/dbraw/zinc/79/25/92/1164792592.db2.gz OVKREIJMHYIUGG-UHFFFAOYSA-N -1 1 291.384 1.379 20 0 CDADMM C[C@]1(c2ccccc2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001609151792 1164798305 /nfs/dbraw/zinc/79/83/05/1164798305.db2.gz PRPFUNQVRXBZPY-SWLSCSKDSA-N -1 1 293.334 1.799 20 0 CDADMM C[C@]1(c2ccccc2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001609151792 1164798306 /nfs/dbraw/zinc/79/83/06/1164798306.db2.gz PRPFUNQVRXBZPY-SWLSCSKDSA-N -1 1 293.334 1.799 20 0 CDADMM CC1=CCC[C@H](C)[C@H]1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001609151666 1164799843 /nfs/dbraw/zinc/79/98/43/1164799843.db2.gz NIVJLTOHBIFVEW-UWVGGRQHSA-N -1 1 273.344 1.994 20 0 CDADMM CC1=CCC[C@H](C)[C@H]1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001609151666 1164799848 /nfs/dbraw/zinc/79/98/48/1164799848.db2.gz NIVJLTOHBIFVEW-UWVGGRQHSA-N -1 1 273.344 1.994 20 0 CDADMM CC[C@@H]1CCC[C@@H]1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609199824 1164839631 /nfs/dbraw/zinc/83/96/31/1164839631.db2.gz GQGHXSFOMUEFOA-KOLCDFICSA-N -1 1 286.339 1.570 20 0 CDADMM CC[C@@H]1CCC[C@@H]1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609199824 1164839635 /nfs/dbraw/zinc/83/96/35/1164839635.db2.gz GQGHXSFOMUEFOA-KOLCDFICSA-N -1 1 286.339 1.570 20 0 CDADMM CCOCCCC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001609240454 1164861385 /nfs/dbraw/zinc/86/13/85/1164861385.db2.gz GUGHNZWEUWLVGH-UHFFFAOYSA-N -1 1 296.356 1.387 20 0 CDADMM CCOCCCC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001609240454 1164861389 /nfs/dbraw/zinc/86/13/89/1164861389.db2.gz GUGHNZWEUWLVGH-UHFFFAOYSA-N -1 1 296.356 1.387 20 0 CDADMM COC1(CNc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001609311674 1164889519 /nfs/dbraw/zinc/88/95/19/1164889519.db2.gz AEUWXIQMEKVXIY-UHFFFAOYSA-N -1 1 275.316 1.028 20 0 CDADMM COC1(CNc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001609311674 1164889527 /nfs/dbraw/zinc/88/95/27/1164889527.db2.gz AEUWXIQMEKVXIY-UHFFFAOYSA-N -1 1 275.316 1.028 20 0 CDADMM COC[C@]1(C)CCN(c2ccc(C)c(-c3nnn[n-]3)n2)C1 ZINC001609318663 1164898951 /nfs/dbraw/zinc/89/89/51/1164898951.db2.gz JHHQDTUVUSMRCV-CQSZACIVSA-N -1 1 288.355 1.433 20 0 CDADMM COC[C@]1(C)CCN(c2ccc(C)c(-c3nn[n-]n3)n2)C1 ZINC001609318663 1164898960 /nfs/dbraw/zinc/89/89/60/1164898960.db2.gz JHHQDTUVUSMRCV-CQSZACIVSA-N -1 1 288.355 1.433 20 0 CDADMM C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001609375522 1164918146 /nfs/dbraw/zinc/91/81/46/1164918146.db2.gz DFIBMCFDQWSOMI-JTQLQIEISA-N -1 1 294.318 1.753 20 0 CDADMM C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001609375522 1164918152 /nfs/dbraw/zinc/91/81/52/1164918152.db2.gz DFIBMCFDQWSOMI-JTQLQIEISA-N -1 1 294.318 1.753 20 0 CDADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CCCC(C)C)c1 ZINC001609386800 1164920878 /nfs/dbraw/zinc/92/08/78/1164920878.db2.gz WQGHNNBUJRZPEV-UHFFFAOYSA-N -1 1 261.329 1.773 20 0 CDADMM Cc1cc(NCC[C@@H](C)CCO)cc(-c2nnn[n-]2)n1 ZINC001609409340 1164934238 /nfs/dbraw/zinc/93/42/38/1164934238.db2.gz HXNPDVZIQCEYMY-SECBINFHSA-N -1 1 276.344 1.391 20 0 CDADMM Cc1cc(NCC[C@@H](C)CCO)cc(-c2nn[n-]n2)n1 ZINC001609409340 1164934244 /nfs/dbraw/zinc/93/42/44/1164934244.db2.gz HXNPDVZIQCEYMY-SECBINFHSA-N -1 1 276.344 1.391 20 0 CDADMM Cc1cc(NCCc2nccnc2C)cc(-c2nnn[n-]2)n1 ZINC001609410805 1164936381 /nfs/dbraw/zinc/93/63/81/1164936381.db2.gz ZZRHCKHIPZTFQR-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1cc(NCCc2nccnc2C)cc(-c2nn[n-]n2)n1 ZINC001609410805 1164936388 /nfs/dbraw/zinc/93/63/88/1164936388.db2.gz ZZRHCKHIPZTFQR-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1ccc([C@H](O)CNc2cccnc2-c2nnn[n-]2)o1 ZINC001609421045 1164940967 /nfs/dbraw/zinc/94/09/67/1164940967.db2.gz MVLRUNAVBPOKLG-SNVBAGLBSA-N -1 1 286.295 1.309 20 0 CDADMM Cc1ccc([C@H](O)CNc2cccnc2-c2nn[n-]n2)o1 ZINC001609421045 1164940973 /nfs/dbraw/zinc/94/09/73/1164940973.db2.gz MVLRUNAVBPOKLG-SNVBAGLBSA-N -1 1 286.295 1.309 20 0 CDADMM Cc1ccc(CN(C)c2cccnc2-c2nnn[n-]2)nc1 ZINC001609423358 1164941070 /nfs/dbraw/zinc/94/10/70/1164941070.db2.gz MHIQXIIVWKRJJZ-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1ccc(CN(C)c2cccnc2-c2nn[n-]n2)nc1 ZINC001609423358 1164941075 /nfs/dbraw/zinc/94/10/75/1164941075.db2.gz MHIQXIIVWKRJJZ-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC=C(F)C1 ZINC001609581728 1164996954 /nfs/dbraw/zinc/99/69/54/1164996954.db2.gz FMCPEORNQBRJLE-UHFFFAOYSA-N -1 1 263.232 1.159 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC=C(F)C1 ZINC001609581728 1164996959 /nfs/dbraw/zinc/99/69/59/1164996959.db2.gz FMCPEORNQBRJLE-UHFFFAOYSA-N -1 1 263.232 1.159 20 0 CDADMM c1nc(-c2noc(-c3cccc(-c4nnn[n-]4)n3)n2)cs1 ZINC001609613312 1165007801 /nfs/dbraw/zinc/00/78/01/1165007801.db2.gz YHDXSSHKPHXRPM-UHFFFAOYSA-N -1 1 298.291 1.435 20 0 CDADMM c1nc(-c2noc(-c3cccc(-c4nn[n-]n4)n3)n2)cs1 ZINC001609613312 1165007804 /nfs/dbraw/zinc/00/78/04/1165007804.db2.gz YHDXSSHKPHXRPM-UHFFFAOYSA-N -1 1 298.291 1.435 20 0 CDADMM c1ccc(OCCCOc2cnc(-c3nn[n-]n3)nc2)cc1 ZINC001609617631 1165011296 /nfs/dbraw/zinc/01/12/96/1165011296.db2.gz IQEMOJHMKQDUQA-UHFFFAOYSA-N -1 1 298.306 1.505 20 0 CDADMM c1ccc(CCCNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001609616965 1165013430 /nfs/dbraw/zinc/01/34/30/1165013430.db2.gz NFWFIVFWUQHZOD-UHFFFAOYSA-N -1 1 281.323 1.701 20 0 CDADMM c1ccc(CCCNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001609616965 1165013433 /nfs/dbraw/zinc/01/34/33/1165013433.db2.gz NFWFIVFWUQHZOD-UHFFFAOYSA-N -1 1 281.323 1.701 20 0 CDADMM C[C@H](CN1CCOCC1)N(C)Cc1cc(C(=O)[O-])co1 ZINC001609743513 1165064597 /nfs/dbraw/zinc/06/45/97/1165064597.db2.gz PFUXOFMNKQEIMO-LLVKDONJSA-N -1 1 282.340 1.130 20 0 CDADMM CC[C@H](NCc1cnnn1C)c1ccc(C(=O)[O-])cc1 ZINC001609931180 1165150164 /nfs/dbraw/zinc/15/01/64/1165150164.db2.gz KAYWTUPFCHZAHF-ZDUSSCGKSA-N -1 1 274.324 1.754 20 0 CDADMM CCc1nnc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)[nH]1 ZINC001610069340 1165200741 /nfs/dbraw/zinc/20/07/41/1165200741.db2.gz CBFUMUGHSXPFQB-HTQZYQBOSA-N -1 1 266.301 1.197 20 0 CDADMM CCc1n[nH]c(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC001610069340 1165200747 /nfs/dbraw/zinc/20/07/47/1165200747.db2.gz CBFUMUGHSXPFQB-HTQZYQBOSA-N -1 1 266.301 1.197 20 0 CDADMM CCc1oc(CN[C@H](C)CN2CCCC2=O)cc1C(=O)[O-] ZINC001610079018 1165207318 /nfs/dbraw/zinc/20/73/18/1165207318.db2.gz QHZBPDCJEUXFHI-SNVBAGLBSA-N -1 1 294.351 1.641 20 0 CDADMM Cc1cnccc1C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001610540528 1165348245 /nfs/dbraw/zinc/34/82/45/1165348245.db2.gz FJBYYRWCAUCTEV-LBPRGKRZSA-N -1 1 291.351 1.011 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1cccc(-c2cccnc2)c1 ZINC001610802937 1165446782 /nfs/dbraw/zinc/44/67/82/1165446782.db2.gz GXNUQDUOTYPDDB-CVEARBPZSA-N -1 1 298.342 1.768 20 0 CDADMM O=C([O-])c1cn([C@H]2CCCN(Cc3ccoc3)C2)nn1 ZINC001610856363 1165464468 /nfs/dbraw/zinc/46/44/68/1165464468.db2.gz DMTQGLCHUBXOSW-NSHDSACASA-N -1 1 276.296 1.406 20 0 CDADMM CCc1cc(C(=O)[N-]NC(=O)c2ccc(OC)cc2)n[nH]1 ZINC000028833507 1165709853 /nfs/dbraw/zinc/70/98/53/1165709853.db2.gz MEMFQLMBCVAKLV-UHFFFAOYSA-N -1 1 288.307 1.056 20 0 CDADMM O=C(Nc1nncn1Cc1ccccc1)c1ccc([O-])cn1 ZINC001629620646 1166152809 /nfs/dbraw/zinc/15/28/09/1166152809.db2.gz CJGSIMWAGVFHND-UHFFFAOYSA-N -1 1 295.302 1.679 20 0 CDADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1cc(=O)cc[nH]1 ZINC001630888418 1166241562 /nfs/dbraw/zinc/24/15/62/1166241562.db2.gz DVDHKEMRMJVJHL-UHFFFAOYSA-N -1 1 296.286 1.519 20 0 CDADMM CN(C(=O)c1cccc2cc(O)ccc21)c1nn[n-]n1 ZINC001634121148 1166473267 /nfs/dbraw/zinc/47/32/67/1166473267.db2.gz BQUSTRCXJHCESM-UHFFFAOYSA-N -1 1 269.264 1.335 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000095147284 1166594315 /nfs/dbraw/zinc/59/43/15/1166594315.db2.gz BFHDCSVWPJTBDZ-WDEREUQCSA-N -1 1 272.312 1.019 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000095147284 1166594322 /nfs/dbraw/zinc/59/43/22/1166594322.db2.gz BFHDCSVWPJTBDZ-WDEREUQCSA-N -1 1 272.312 1.019 20 0 CDADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1ccon1 ZINC000095175801 1166604801 /nfs/dbraw/zinc/60/48/01/1166604801.db2.gz MQUCYVLEDYIZNO-UHFFFAOYSA-N -1 1 286.251 1.019 20 0 CDADMM Cc1nc2ccc(NC(=O)c3n[nH]c(C)c3[O-])cn2n1 ZINC001639698443 1166964937 /nfs/dbraw/zinc/96/49/37/1166964937.db2.gz BDBADXZZNXHSTH-UHFFFAOYSA-N -1 1 272.268 1.027 20 0 CDADMM Cc1conc1C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001641602029 1167124198 /nfs/dbraw/zinc/12/41/98/1167124198.db2.gz OBNQUEOKONIMGW-NSHDSACASA-N -1 1 284.279 1.016 20 0 CDADMM O=C(NCc1nc([O-])cc(=O)[nH]1)c1ccc2ccccc2c1 ZINC001642457207 1167176049 /nfs/dbraw/zinc/17/60/49/1167176049.db2.gz YVQAZVCYSHMXHK-UHFFFAOYSA-N -1 1 295.298 1.971 20 0 CDADMM COCc1cc(CN[C@@H](CC(=O)[O-])C(C)(C)C)no1 ZINC001646500766 1167883359 /nfs/dbraw/zinc/88/33/59/1167883359.db2.gz RUKSOORYJVDWIX-NSHDSACASA-N -1 1 270.329 1.800 20 0 CDADMM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1nncn1C ZINC001649762270 1169344874 /nfs/dbraw/zinc/34/48/74/1169344874.db2.gz MRHVVOZPGUSPLF-UHFFFAOYSA-N -1 1 275.190 1.383 20 0 CDADMM CC(=O)c1ccc(CN2CCSC[C@H]2C(=O)[O-])cc1 ZINC001649881085 1169462805 /nfs/dbraw/zinc/46/28/05/1169462805.db2.gz NVEJYRDEZZDEOZ-ZDUSSCGKSA-N -1 1 279.361 1.891 20 0 CDADMM O=C([O-])[C@@H](F)CNCc1cccc(Br)c1 ZINC001650014714 1169609130 /nfs/dbraw/zinc/60/91/30/1169609130.db2.gz OYSFNQXBVVVDPU-VIFPVBQESA-N -1 1 276.105 1.961 20 0 CDADMM CCCN1CCCC[C@@H]1C(=O)NCc1nc(C(=O)[O-])co1 ZINC001650023383 1169620851 /nfs/dbraw/zinc/62/08/51/1169620851.db2.gz KUDFVIOOITZLCL-LLVKDONJSA-N -1 1 295.339 1.254 20 0 CDADMM CC(C)(C)C(C)(C)CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC001573407328 1170346424 /nfs/dbraw/zinc/34/64/24/1170346424.db2.gz HZNNHJNYYCGBAY-GFCCVEGCSA-N -1 1 298.427 1.972 20 0 CDADMM C[C@@H]1CCN(CC(=O)Nc2cn(C)cc2C(=O)[O-])C1 ZINC001573645790 1170718859 /nfs/dbraw/zinc/71/88/59/1170718859.db2.gz JRMKSOOKPCZFCJ-SECBINFHSA-N -1 1 265.313 1.004 20 0 CDADMM COC(=O)c1cnc([C@H](C)NCC2(C(=O)[O-])CC2)s1 ZINC001573941477 1170834913 /nfs/dbraw/zinc/83/49/13/1170834913.db2.gz GTZSPLPKALSBIX-ZETCQYMHSA-N -1 1 284.337 1.445 20 0 CDADMM O=C([O-])c1cc(CN2CC[C@H]3[C@@H](C2)C3(F)F)[nH]n1 ZINC001574407834 1170974494 /nfs/dbraw/zinc/97/44/94/1170974494.db2.gz CLYIUOPVSRRZMM-JGVFFNPUSA-N -1 1 257.240 1.195 20 0 CDADMM Cc1ccc(SCCC(=O)OCc2nn[n-]n2)cc1 ZINC001650482853 1171115796 /nfs/dbraw/zinc/11/57/96/1171115796.db2.gz OCSJEYJUJZLAMB-UHFFFAOYSA-N -1 1 278.337 1.734 20 0 CDADMM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000070417774 1171662240 /nfs/dbraw/zinc/66/22/40/1171662240.db2.gz RDUBFZSNEVQKGZ-UHFFFAOYSA-N -1 1 280.353 1.272 20 0 CDADMM CN(C(=O)CCc1ccco1)c1ccc(-c2nnn[n-]2)nc1 ZINC001578873261 1172031789 /nfs/dbraw/zinc/03/17/89/1172031789.db2.gz DSXOAOKKKVMXSV-UHFFFAOYSA-N -1 1 298.306 1.450 20 0 CDADMM CN(C(=O)CCc1ccco1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578873261 1172031800 /nfs/dbraw/zinc/03/18/00/1172031800.db2.gz DSXOAOKKKVMXSV-UHFFFAOYSA-N -1 1 298.306 1.450 20 0 CDADMM O=C(Cc1ccccc1F)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582150703 1172656126 /nfs/dbraw/zinc/65/61/26/1172656126.db2.gz QAIROWGFSDBPLG-UHFFFAOYSA-N -1 1 298.281 1.582 20 0 CDADMM O=C(Cc1ccccc1F)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582150703 1172656130 /nfs/dbraw/zinc/65/61/30/1172656130.db2.gz QAIROWGFSDBPLG-UHFFFAOYSA-N -1 1 298.281 1.582 20 0 CDADMM COC(=O)c1nc[nH]c1NC(=O)c1cncc2ccccc21 ZINC001587265972 1172979627 /nfs/dbraw/zinc/97/96/27/1172979627.db2.gz YLGCZEGLEOVUGJ-UHFFFAOYSA-N -1 1 296.286 1.997 20 0 CDADMM CC(C)=CCNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001589379487 1173141724 /nfs/dbraw/zinc/14/17/24/1173141724.db2.gz OOTFHJZVBOXUEE-UHFFFAOYSA-N -1 1 261.285 1.464 20 0 CDADMM CC(C)=CCNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001589379487 1173141727 /nfs/dbraw/zinc/14/17/27/1173141727.db2.gz OOTFHJZVBOXUEE-UHFFFAOYSA-N -1 1 261.285 1.464 20 0 CDADMM CC(C)[C@H]1C[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001589503318 1173151978 /nfs/dbraw/zinc/15/19/78/1173151978.db2.gz RAMJTEXFUAUQDC-NXEZZACHSA-N -1 1 287.323 1.803 20 0 CDADMM CC(C)[C@H]1CCCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589509295 1173153999 /nfs/dbraw/zinc/15/39/99/1173153999.db2.gz ONIOCLQFBKQUKZ-GFCCVEGCSA-N -1 1 286.339 1.522 20 0 CDADMM CC(C)[C@H]1CCCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589509295 1173154003 /nfs/dbraw/zinc/15/40/03/1173154003.db2.gz ONIOCLQFBKQUKZ-GFCCVEGCSA-N -1 1 286.339 1.522 20 0 CDADMM CC(C)[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001589507671 1173154344 /nfs/dbraw/zinc/15/43/44/1173154344.db2.gz ONENHYJLSFNCQR-SNVBAGLBSA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)[C@@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001589507671 1173154352 /nfs/dbraw/zinc/15/43/52/1173154352.db2.gz ONENHYJLSFNCQR-SNVBAGLBSA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)n1cc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001589781658 1173179136 /nfs/dbraw/zinc/17/91/36/1173179136.db2.gz FJUMHEZFLAZRNB-UHFFFAOYSA-N -1 1 299.294 1.258 20 0 CDADMM CC(C)n1cc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001589781658 1173179142 /nfs/dbraw/zinc/17/91/42/1173179142.db2.gz FJUMHEZFLAZRNB-UHFFFAOYSA-N -1 1 299.294 1.258 20 0 CDADMM C[C@@H](Cc1cccnc1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589901330 1173199066 /nfs/dbraw/zinc/19/90/66/1173199066.db2.gz MNNYMVWESXEMBI-JTQLQIEISA-N -1 1 281.323 1.122 20 0 CDADMM C[C@@H](Cc1cccnc1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589901330 1173199071 /nfs/dbraw/zinc/19/90/71/1173199071.db2.gz MNNYMVWESXEMBI-JTQLQIEISA-N -1 1 281.323 1.122 20 0 CDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)o1)C(F)F ZINC001590009721 1173234818 /nfs/dbraw/zinc/23/48/18/1173234818.db2.gz JAOYDZLYLFTNNT-SCSAIBSYSA-N -1 1 258.184 1.270 20 0 CDADMM C[C@@H](c1cccs1)N(C)c1cc(-c2nnn[n-]2)ncn1 ZINC001590050331 1173239830 /nfs/dbraw/zinc/23/98/30/1173239830.db2.gz KFYXAIYCNGZNMC-QMMMGPOBSA-N -1 1 287.352 1.916 20 0 CDADMM C[C@@H](c1cccs1)N(C)c1cc(-c2nn[n-]n2)ncn1 ZINC001590050331 1173239834 /nfs/dbraw/zinc/23/98/34/1173239834.db2.gz KFYXAIYCNGZNMC-QMMMGPOBSA-N -1 1 287.352 1.916 20 0 CDADMM CC1(C)C[C@@H](O)CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590086306 1173252009 /nfs/dbraw/zinc/25/20/09/1173252009.db2.gz ZQKQNNSJBZBEHM-JTQLQIEISA-N -1 1 288.355 1.249 20 0 CDADMM CC1(C)C[C@@H](O)CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590086306 1173252016 /nfs/dbraw/zinc/25/20/16/1173252016.db2.gz ZQKQNNSJBZBEHM-JTQLQIEISA-N -1 1 288.355 1.249 20 0 CDADMM C[C@H]1C(=O)CCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC001590162653 1173279629 /nfs/dbraw/zinc/27/96/29/1173279629.db2.gz CWDLWZWTYNKKJX-QMMMGPOBSA-N -1 1 261.285 1.013 20 0 CDADMM C[C@H]1C(=O)CCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC001590162653 1173279630 /nfs/dbraw/zinc/27/96/30/1173279630.db2.gz CWDLWZWTYNKKJX-QMMMGPOBSA-N -1 1 261.285 1.013 20 0 CDADMM C[C@H]1C[C@@H]1c1noc(-c2ccc(-c3nn[n-]n3)o2)n1 ZINC001590220467 1173299261 /nfs/dbraw/zinc/29/92/61/1173299261.db2.gz PLLPAOLWPVQPLI-WDSKDSINSA-N -1 1 258.241 1.633 20 0 CDADMM C[C@H]1CCCN1C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590265088 1173328109 /nfs/dbraw/zinc/32/81/09/1173328109.db2.gz QKCTZWIGRNPHRQ-ZETCQYMHSA-N -1 1 293.277 1.769 20 0 CDADMM C[C@H]1CCCN1C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590265088 1173328117 /nfs/dbraw/zinc/32/81/17/1173328117.db2.gz QKCTZWIGRNPHRQ-ZETCQYMHSA-N -1 1 293.277 1.769 20 0 CDADMM C[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC12CCC2 ZINC001590274277 1173337428 /nfs/dbraw/zinc/33/74/28/1173337428.db2.gz IFSQWVXEJFOVFC-JTQLQIEISA-N -1 1 285.355 1.673 20 0 CDADMM CC[C@H](Nc1cccnc1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC001590473240 1173425281 /nfs/dbraw/zinc/42/52/81/1173425281.db2.gz MRCMPGYONVYEIK-MNOVXSKESA-N -1 1 288.355 1.879 20 0 CDADMM CC[C@H](Nc1cccnc1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC001590473240 1173425286 /nfs/dbraw/zinc/42/52/86/1173425286.db2.gz MRCMPGYONVYEIK-MNOVXSKESA-N -1 1 288.355 1.879 20 0 CDADMM CC[C@@]1(C)CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590489390 1173429987 /nfs/dbraw/zinc/42/99/87/1173429987.db2.gz GFQYLVXWFGAPMF-AWEZNQCLSA-N -1 1 286.339 1.524 20 0 CDADMM CC[C@@]1(C)CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590489390 1173429991 /nfs/dbraw/zinc/42/99/91/1173429991.db2.gz GFQYLVXWFGAPMF-AWEZNQCLSA-N -1 1 286.339 1.524 20 0 CDADMM CC[C@@H]1COC(C)(C)CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590524378 1173452352 /nfs/dbraw/zinc/45/23/52/1173452352.db2.gz QQBSMJOGVWSDSQ-SECBINFHSA-N -1 1 289.343 1.051 20 0 CDADMM CC[C@@H]1COC(C)(C)CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590524378 1173452353 /nfs/dbraw/zinc/45/23/53/1173452353.db2.gz QQBSMJOGVWSDSQ-SECBINFHSA-N -1 1 289.343 1.051 20 0 CDADMM CCC[C@@H](O)CCCSc1cncc(-c2nnn[n-]2)n1 ZINC001590560769 1173464595 /nfs/dbraw/zinc/46/45/95/1173464595.db2.gz QEFWYTFMCAAHFZ-SECBINFHSA-N -1 1 294.384 1.690 20 0 CDADMM CCC[C@@H](O)CCCSc1cncc(-c2nn[n-]n2)n1 ZINC001590560769 1173464601 /nfs/dbraw/zinc/46/46/01/1173464601.db2.gz QEFWYTFMCAAHFZ-SECBINFHSA-N -1 1 294.384 1.690 20 0 CDADMM CCN(CC(C)C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590680475 1173488338 /nfs/dbraw/zinc/48/83/38/1173488338.db2.gz CZKPMSVUWLGIFY-UHFFFAOYSA-N -1 1 263.301 1.578 20 0 CDADMM CCN(CC(C)C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590680475 1173488342 /nfs/dbraw/zinc/48/83/42/1173488342.db2.gz CZKPMSVUWLGIFY-UHFFFAOYSA-N -1 1 263.301 1.578 20 0 CDADMM CCOC(C)(C)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001590780272 1173508610 /nfs/dbraw/zinc/50/86/10/1173508610.db2.gz ACLPVWOYWYMMHV-UHFFFAOYSA-N -1 1 282.329 1.077 20 0 CDADMM CCOC(C)(C)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001590780272 1173508616 /nfs/dbraw/zinc/50/86/16/1173508616.db2.gz ACLPVWOYWYMMHV-UHFFFAOYSA-N -1 1 282.329 1.077 20 0 CDADMM CC[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001590868294 1173533504 /nfs/dbraw/zinc/53/35/04/1173533504.db2.gz KEJHBPIKQAZMOP-ZETCQYMHSA-N -1 1 289.217 1.530 20 0 CDADMM CC[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001590868294 1173533505 /nfs/dbraw/zinc/53/35/05/1173533505.db2.gz KEJHBPIKQAZMOP-ZETCQYMHSA-N -1 1 289.217 1.530 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H](C)[C@@H](C)[C@@H]2C)n1 ZINC001590904879 1173538522 /nfs/dbraw/zinc/53/85/22/1173538522.db2.gz MPIWUNNTOSQFQY-AEJSXWLSSA-N -1 1 287.371 1.700 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H](C)[C@@H](C)[C@@H]2C)n1 ZINC001590904879 1173538524 /nfs/dbraw/zinc/53/85/24/1173538524.db2.gz MPIWUNNTOSQFQY-AEJSXWLSSA-N -1 1 287.371 1.700 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](C)[C@H](C)C2)n1 ZINC001590905671 1173538597 /nfs/dbraw/zinc/53/85/97/1173538597.db2.gz JXHXRONUYOOJPR-NXEZZACHSA-N -1 1 287.371 1.701 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](C)[C@H](C)C2)n1 ZINC001590905671 1173538600 /nfs/dbraw/zinc/53/86/00/1173538600.db2.gz JXHXRONUYOOJPR-NXEZZACHSA-N -1 1 287.371 1.701 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H]3CCC[C@H]32)n1 ZINC001590907416 1173540674 /nfs/dbraw/zinc/54/06/74/1173540674.db2.gz IAQNAZWGSNLZFU-ZYHUDNBSSA-N -1 1 299.382 1.988 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H]3CCC[C@H]32)n1 ZINC001590907416 1173540678 /nfs/dbraw/zinc/54/06/78/1173540678.db2.gz IAQNAZWGSNLZFU-ZYHUDNBSSA-N -1 1 299.382 1.988 20 0 CDADMM CCc1nc(N[C@@H](CC)c2ncc[nH]2)cc(-c2nnn[n-]2)n1 ZINC001590917403 1173542445 /nfs/dbraw/zinc/54/24/45/1173542445.db2.gz UTWOPSOGDYHYOS-QMMMGPOBSA-N -1 1 299.342 1.505 20 0 CDADMM CCc1nc(N[C@@H](CC)c2ncc[nH]2)cc(-c2nn[n-]n2)n1 ZINC001590917403 1173542450 /nfs/dbraw/zinc/54/24/50/1173542450.db2.gz UTWOPSOGDYHYOS-QMMMGPOBSA-N -1 1 299.342 1.505 20 0 CDADMM CN(C[C@@H]1CCCO1)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001591124849 1173573698 /nfs/dbraw/zinc/57/36/98/1173573698.db2.gz AYTYVIYTNPVKLF-QMMMGPOBSA-N -1 1 293.352 1.179 20 0 CDADMM CN(C[C@@H]1CCCO1)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001591124849 1173573702 /nfs/dbraw/zinc/57/37/02/1173573702.db2.gz AYTYVIYTNPVKLF-QMMMGPOBSA-N -1 1 293.352 1.179 20 0 CDADMM CN(CCc1nccs1)c1cccnc1-c1nnn[n-]1 ZINC001591123577 1173574491 /nfs/dbraw/zinc/57/44/91/1173574491.db2.gz LUHRYUOQTKUHHF-UHFFFAOYSA-N -1 1 287.352 1.397 20 0 CDADMM CN(CCc1nccs1)c1cccnc1-c1nn[n-]n1 ZINC001591123577 1173574496 /nfs/dbraw/zinc/57/44/96/1173574496.db2.gz LUHRYUOQTKUHHF-UHFFFAOYSA-N -1 1 287.352 1.397 20 0 CDADMM CO[C@H]1CC[C@H]1N(C)c1ccc(C)nc1-c1nnn[n-]1 ZINC001591353335 1173625234 /nfs/dbraw/zinc/62/52/34/1173625234.db2.gz JOAJRJPZGDDEES-KOLCDFICSA-N -1 1 274.328 1.184 20 0 CDADMM CO[C@H]1CC[C@H]1N(C)c1ccc(C)nc1-c1nn[n-]n1 ZINC001591353335 1173625238 /nfs/dbraw/zinc/62/52/38/1173625238.db2.gz JOAJRJPZGDDEES-KOLCDFICSA-N -1 1 274.328 1.184 20 0 CDADMM CO[C@H]1CCC[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001591357239 1173628298 /nfs/dbraw/zinc/62/82/98/1173628298.db2.gz VUKNIKONAKYEFW-DTWKUNHWSA-N -1 1 292.295 1.574 20 0 CDADMM COCC1=CCN(c2ccc(C)nc2-c2nnn[n-]2)CC1 ZINC001591392462 1173640767 /nfs/dbraw/zinc/64/07/67/1173640767.db2.gz OEOJGOISBNRURC-UHFFFAOYSA-N -1 1 286.339 1.353 20 0 CDADMM COCC1=CCN(c2ccc(C)nc2-c2nn[n-]n2)CC1 ZINC001591392462 1173640771 /nfs/dbraw/zinc/64/07/71/1173640771.db2.gz OEOJGOISBNRURC-UHFFFAOYSA-N -1 1 286.339 1.353 20 0 CDADMM CON(C)C(=O)CSc1cccc(F)c1-c1nn[n-]n1 ZINC001591462252 1173654751 /nfs/dbraw/zinc/65/47/51/1173654751.db2.gz GEWFNBJHFBRXIG-UHFFFAOYSA-N -1 1 297.315 1.118 20 0 CDADMM COc1ccnc(NC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001591656523 1173679283 /nfs/dbraw/zinc/67/92/83/1173679283.db2.gz SSBVQNAJXKJVRX-UHFFFAOYSA-N -1 1 286.251 1.116 20 0 CDADMM COc1ccnc(NC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001591656523 1173679287 /nfs/dbraw/zinc/67/92/87/1173679287.db2.gz SSBVQNAJXKJVRX-UHFFFAOYSA-N -1 1 286.251 1.116 20 0 CDADMM C[C@H]1c2ccccc2C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001591775409 1173699660 /nfs/dbraw/zinc/69/96/60/1173699660.db2.gz ACIRDYOLRHAALD-JOYOIKCWSA-N -1 1 293.334 1.797 20 0 CDADMM C[C@H]1c2ccccc2C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001591775409 1173699665 /nfs/dbraw/zinc/69/96/65/1173699665.db2.gz ACIRDYOLRHAALD-JOYOIKCWSA-N -1 1 293.334 1.797 20 0 CDADMM C[Si](C)(C)CCCC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001591780075 1173701497 /nfs/dbraw/zinc/70/14/97/1173701497.db2.gz SHTNEISJHSUUON-UHFFFAOYSA-N -1 1 293.407 1.404 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)C[C@H]2CCOC2)n1 ZINC001591891193 1173741402 /nfs/dbraw/zinc/74/14/02/1173741402.db2.gz XDVPSOTVUQNRHK-PSASIEDQSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)C[C@H]2CCOC2)n1 ZINC001591891193 1173741410 /nfs/dbraw/zinc/74/14/10/1173741410.db2.gz XDVPSOTVUQNRHK-PSASIEDQSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2C[C@]2(C)C(C)C)n1 ZINC001591892924 1173742027 /nfs/dbraw/zinc/74/20/27/1173742027.db2.gz ULWNWGQSNMREGC-ZWNOBZJWSA-N -1 1 273.344 1.812 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2C[C@]2(C)C(C)C)n1 ZINC001591892924 1173742033 /nfs/dbraw/zinc/74/20/33/1173742033.db2.gz ULWNWGQSNMREGC-ZWNOBZJWSA-N -1 1 273.344 1.812 20 0 CDADMM Cc1cc(Cn2cnc(-c3nn[n-]n3)cc2=O)c(C)s1 ZINC001591977907 1173764983 /nfs/dbraw/zinc/76/49/83/1173764983.db2.gz OOGMYMLDVLXEJW-UHFFFAOYSA-N -1 1 288.336 1.150 20 0 CDADMM Cc1cc(N[C@@H](C)c2cncs2)cc(-c2nnn[n-]2)n1 ZINC001592035014 1173778915 /nfs/dbraw/zinc/77/89/15/1173778915.db2.gz QXDXFGZOSBWDFM-QMMMGPOBSA-N -1 1 287.352 1.622 20 0 CDADMM Cc1cc(N[C@@H](C)c2cncs2)cc(-c2nn[n-]n2)n1 ZINC001592035014 1173778920 /nfs/dbraw/zinc/77/89/20/1173778920.db2.gz QXDXFGZOSBWDFM-QMMMGPOBSA-N -1 1 287.352 1.622 20 0 CDADMM Cc1cc(NC2C[C@H](C)O[C@@H](C)C2)nc(-c2nnn[n-]2)c1 ZINC001592036042 1173779624 /nfs/dbraw/zinc/77/96/24/1173779624.db2.gz IIYWZZZBAOWTRN-UWVGGRQHSA-N -1 1 288.355 1.938 20 0 CDADMM Cc1cc(NC2C[C@H](C)O[C@@H](C)C2)nc(-c2nn[n-]n2)c1 ZINC001592036042 1173779626 /nfs/dbraw/zinc/77/96/26/1173779626.db2.gz IIYWZZZBAOWTRN-UWVGGRQHSA-N -1 1 288.355 1.938 20 0 CDADMM Cc1cc(NC[C@@H]2C[C@H](C)O[C@H]2C)nc(-c2nnn[n-]2)c1 ZINC001592043472 1173783269 /nfs/dbraw/zinc/78/32/69/1173783269.db2.gz GRRXECBUEQBUKV-DCAQKATOSA-N -1 1 288.355 1.796 20 0 CDADMM Cc1cc(NC[C@@H]2C[C@H](C)O[C@H]2C)nc(-c2nn[n-]n2)c1 ZINC001592043472 1173783273 /nfs/dbraw/zinc/78/32/73/1173783273.db2.gz GRRXECBUEQBUKV-DCAQKATOSA-N -1 1 288.355 1.796 20 0 CDADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCC[C@@H]1C[C@@H](C)O ZINC001592110353 1173801142 /nfs/dbraw/zinc/80/11/42/1173801142.db2.gz MMDVBEHAIJQFSZ-GHMZBOCLSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC[C@@H]1C[C@@H](C)O ZINC001592110353 1173801152 /nfs/dbraw/zinc/80/11/52/1173801152.db2.gz MMDVBEHAIJQFSZ-GHMZBOCLSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCCC(C)(C)O ZINC001592113370 1173804248 /nfs/dbraw/zinc/80/42/48/1173804248.db2.gz FGYQQDNFTSANGU-UHFFFAOYSA-N -1 1 262.317 1.143 20 0 CDADMM Cc1ccc(C)c([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001592140801 1173813564 /nfs/dbraw/zinc/81/35/64/1173813564.db2.gz VDPCLBNMHHGARQ-LLVKDONJSA-N -1 1 295.350 1.869 20 0 CDADMM Cc1ccc(NCCC[C@@H]2CCOC2)nc1-c1nnn[n-]1 ZINC001592185526 1173830520 /nfs/dbraw/zinc/83/05/20/1173830520.db2.gz BNSZSNURPNGTTD-LLVKDONJSA-N -1 1 288.355 1.799 20 0 CDADMM Cc1ccc(NCCC[C@@H]2CCOC2)nc1-c1nn[n-]n1 ZINC001592185526 1173830525 /nfs/dbraw/zinc/83/05/25/1173830525.db2.gz BNSZSNURPNGTTD-LLVKDONJSA-N -1 1 288.355 1.799 20 0 CDADMM Cc1cccnc1[C@H](C)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001592264664 1173838179 /nfs/dbraw/zinc/83/81/79/1173838179.db2.gz UHSHWHQIMRLZSZ-JTQLQIEISA-N -1 1 281.323 1.560 20 0 CDADMM Cc1cccnc1[C@H](C)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001592264664 1173838182 /nfs/dbraw/zinc/83/81/82/1173838182.db2.gz UHSHWHQIMRLZSZ-JTQLQIEISA-N -1 1 281.323 1.560 20 0 CDADMM Cc1ccsc1CNc1cncc(-c2nnn[n-]2)n1 ZINC001592283736 1173846104 /nfs/dbraw/zinc/84/61/04/1173846104.db2.gz NKRDKFBZXFSRIY-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1ccsc1CNc1cncc(-c2nn[n-]n2)n1 ZINC001592283736 1173846106 /nfs/dbraw/zinc/84/61/06/1173846106.db2.gz NKRDKFBZXFSRIY-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@H](C)[C@@H](C)C2)n1 ZINC001592337145 1173859627 /nfs/dbraw/zinc/85/96/27/1173859627.db2.gz CJNBPYIRWHNALG-IUCAKERBSA-N -1 1 273.344 1.447 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@H](C)[C@@H](C)C2)n1 ZINC001592337145 1173859633 /nfs/dbraw/zinc/85/96/33/1173859633.db2.gz CJNBPYIRWHNALG-IUCAKERBSA-N -1 1 273.344 1.447 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N(C)[C@@H](C)C2CC2)n1 ZINC001592338996 1173859869 /nfs/dbraw/zinc/85/98/69/1173859869.db2.gz VQLCSMQTFKEGLC-ZETCQYMHSA-N -1 1 259.317 1.200 20 0 CDADMM Cc1nc(Nc2cncc(N(C)C)c2)cc(-c2nnn[n-]2)n1 ZINC001592398586 1173881966 /nfs/dbraw/zinc/88/19/66/1173881966.db2.gz KNOWBHGIUSGYMW-UHFFFAOYSA-N -1 1 297.326 1.170 20 0 CDADMM Cc1nc(Nc2cncc(N(C)C)c2)cc(-c2nn[n-]n2)n1 ZINC001592398586 1173881971 /nfs/dbraw/zinc/88/19/71/1173881971.db2.gz KNOWBHGIUSGYMW-UHFFFAOYSA-N -1 1 297.326 1.170 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@]1(C)CCCO1 ZINC001592503252 1173908190 /nfs/dbraw/zinc/90/81/90/1173908190.db2.gz SIOZENJHQFQMRG-ZDUSSCGKSA-N -1 1 291.311 1.067 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@]1(C)CCCO1 ZINC001592503252 1173908195 /nfs/dbraw/zinc/90/81/95/1173908195.db2.gz SIOZENJHQFQMRG-ZDUSSCGKSA-N -1 1 291.311 1.067 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1ccccn1 ZINC001592501770 1173908953 /nfs/dbraw/zinc/90/89/53/1173908953.db2.gz RZIUMSOKRHVCJT-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1ccccn1 ZINC001592501770 1173908958 /nfs/dbraw/zinc/90/89/58/1173908958.db2.gz RZIUMSOKRHVCJT-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Clc1ccc(COc2cnc(-c3nn[n-]n3)nc2)cn1 ZINC001592531439 1173912675 /nfs/dbraw/zinc/91/26/75/1173912675.db2.gz LAVPMFJQJRVHGC-UHFFFAOYSA-N -1 1 289.686 1.284 20 0 CDADMM FC(F)CCCNc1ccnc(-c2nnn[n-]2)c1 ZINC001592623162 1173932270 /nfs/dbraw/zinc/93/22/70/1173932270.db2.gz CLTVRVBPUDTEGO-UHFFFAOYSA-N -1 1 254.244 1.719 20 0 CDADMM FC(F)CCCNc1ccnc(-c2nn[n-]n2)c1 ZINC001592623162 1173932276 /nfs/dbraw/zinc/93/22/76/1173932276.db2.gz CLTVRVBPUDTEGO-UHFFFAOYSA-N -1 1 254.244 1.719 20 0 CDADMM FC1(F)CCCC[C@@H]1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001592627738 1173936160 /nfs/dbraw/zinc/93/61/60/1173936160.db2.gz DPCMBOKPGWEADW-MRVPVSSYSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(F)CCCC[C@@H]1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001592627738 1173936169 /nfs/dbraw/zinc/93/61/69/1173936169.db2.gz DPCMBOKPGWEADW-MRVPVSSYSA-N -1 1 295.297 1.894 20 0 CDADMM FCCNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001592629579 1173938619 /nfs/dbraw/zinc/93/86/19/1173938619.db2.gz JFXYMNMRAMTVPS-UHFFFAOYSA-N -1 1 276.197 1.662 20 0 CDADMM FCCNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001592629579 1173938625 /nfs/dbraw/zinc/93/86/25/1173938625.db2.gz JFXYMNMRAMTVPS-UHFFFAOYSA-N -1 1 276.197 1.662 20 0 CDADMM O=C(CCCF)OCc1ccc(-c2nnn[n-]2)o1 ZINC001592836445 1173998302 /nfs/dbraw/zinc/99/83/02/1173998302.db2.gz FKFPQGPEXGEACT-UHFFFAOYSA-N -1 1 254.221 1.253 20 0 CDADMM O=C(CCCF)OCc1ccc(-c2nn[n-]n2)o1 ZINC001592836445 1173998305 /nfs/dbraw/zinc/99/83/05/1173998305.db2.gz FKFPQGPEXGEACT-UHFFFAOYSA-N -1 1 254.221 1.253 20 0 CDADMM O=C(NCC[C@H]1CCCO1)c1ccsc1-c1nnn[n-]1 ZINC001593099017 1174022304 /nfs/dbraw/zinc/02/23/04/1174022304.db2.gz DIQIRGNBVHAYNL-MRVPVSSYSA-N -1 1 293.352 1.227 20 0 CDADMM O=C(NCC[C@H]1CCCO1)c1ccsc1-c1nn[n-]n1 ZINC001593099017 1174022310 /nfs/dbraw/zinc/02/23/10/1174022310.db2.gz DIQIRGNBVHAYNL-MRVPVSSYSA-N -1 1 293.352 1.227 20 0 CDADMM O=C(NC[C@@H]1C[C@H]1C1CC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593110639 1174023548 /nfs/dbraw/zinc/02/35/48/1174023548.db2.gz GXMQHACTINJLRA-UWVGGRQHSA-N -1 1 299.338 1.429 20 0 CDADMM O=C(NC[C@@H]1C[C@H]1C1CC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593110639 1174023555 /nfs/dbraw/zinc/02/35/55/1174023555.db2.gz GXMQHACTINJLRA-UWVGGRQHSA-N -1 1 299.338 1.429 20 0 CDADMM O=C(NC[C@]12C[C@H]1CCC2)c1csc(-c2nn[n-]n2)c1 ZINC001593114481 1174025130 /nfs/dbraw/zinc/02/51/30/1174025130.db2.gz YUTBECLBKMTDPG-RNCFNFMXSA-N -1 1 289.364 1.848 20 0 CDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCCC12CC2 ZINC001593147310 1174027544 /nfs/dbraw/zinc/02/75/44/1174027544.db2.gz KPFREFYETFLPJU-LLVKDONJSA-N -1 1 298.350 1.458 20 0 CDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCCC12CC2 ZINC001593147310 1174027549 /nfs/dbraw/zinc/02/75/49/1174027549.db2.gz KPFREFYETFLPJU-LLVKDONJSA-N -1 1 298.350 1.458 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1CC2CCC1CC2 ZINC001593197604 1174032377 /nfs/dbraw/zinc/03/23/77/1174032377.db2.gz NDKJDROIFWVFCD-AMDVSUOASA-N -1 1 287.327 1.355 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1CC2CCC1CC2 ZINC001593197604 1174032382 /nfs/dbraw/zinc/03/23/82/1174032382.db2.gz NDKJDROIFWVFCD-AMDVSUOASA-N -1 1 287.327 1.355 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1(C(F)F)CC1 ZINC001593203063 1174032709 /nfs/dbraw/zinc/03/27/09/1174032709.db2.gz UCIGPCJMQGGDRQ-UHFFFAOYSA-N -1 1 295.249 1.556 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC(CC2CC2)C1 ZINC001593244507 1174041397 /nfs/dbraw/zinc/04/13/97/1174041397.db2.gz YRACROSXWKJQFJ-UHFFFAOYSA-N -1 1 299.338 1.526 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC(CC2CC2)C1 ZINC001593244507 1174041404 /nfs/dbraw/zinc/04/14/04/1174041404.db2.gz YRACROSXWKJQFJ-UHFFFAOYSA-N -1 1 299.338 1.526 20 0 CDADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N1CC=CC1 ZINC001593263431 1174043093 /nfs/dbraw/zinc/04/30/93/1174043093.db2.gz QFCPBMANRVTXRH-UHFFFAOYSA-N -1 1 297.731 1.380 20 0 CDADMM O=C([O-])C1(C[NH2+]Cc2csc(-c3nn[n-]n3)c2)CCC1 ZINC001593276778 1174047317 /nfs/dbraw/zinc/04/73/17/1174047317.db2.gz SGLIWGWOPRCSLF-UHFFFAOYSA-N -1 1 293.352 1.273 20 0 CDADMM O=C(OCC[C@@H]1CCOC1)c1ccsc1-c1nnn[n-]1 ZINC001593287173 1174054654 /nfs/dbraw/zinc/05/46/54/1174054654.db2.gz GSALPURDAZNZAA-QMMMGPOBSA-N -1 1 294.336 1.512 20 0 CDADMM O=C(OCC[C@@H]1CCOC1)c1ccsc1-c1nn[n-]n1 ZINC001593287173 1174054661 /nfs/dbraw/zinc/05/46/61/1174054661.db2.gz GSALPURDAZNZAA-QMMMGPOBSA-N -1 1 294.336 1.512 20 0 CDADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@@H]1CCC=CO1 ZINC001593297295 1174056660 /nfs/dbraw/zinc/05/66/60/1174056660.db2.gz DEBJCEYDOUTGCI-JTQLQIEISA-N -1 1 276.252 1.196 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@@H]1CCC=CO1 ZINC001593297295 1174056664 /nfs/dbraw/zinc/05/66/64/1174056664.db2.gz DEBJCEYDOUTGCI-JTQLQIEISA-N -1 1 276.252 1.196 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC=CC12CCCC2 ZINC001593340904 1174069061 /nfs/dbraw/zinc/06/90/61/1174069061.db2.gz OHHARSZUBUFXOB-UHFFFAOYSA-N -1 1 285.307 1.785 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC=CC12CCCC2 ZINC001593340904 1174069068 /nfs/dbraw/zinc/06/90/68/1174069068.db2.gz OHHARSZUBUFXOB-UHFFFAOYSA-N -1 1 285.307 1.785 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1CC[C@@H]1C[C@H]1C1CC1 ZINC001593494270 1174087303 /nfs/dbraw/zinc/08/73/03/1174087303.db2.gz QCQFAQKWOSQJRZ-PWSUYJOCSA-N -1 1 271.324 1.465 20 0 CDADMM OC1(CCCNc2cccc(-c3nnn[n-]3)n2)CCC1 ZINC001593510401 1174094495 /nfs/dbraw/zinc/09/44/95/1174094495.db2.gz IBMKTBKROYKWQF-UHFFFAOYSA-N -1 1 274.328 1.369 20 0 CDADMM OC1(CCCNc2cccc(-c3nn[n-]n3)n2)CCC1 ZINC001593510401 1174094503 /nfs/dbraw/zinc/09/45/03/1174094503.db2.gz IBMKTBKROYKWQF-UHFFFAOYSA-N -1 1 274.328 1.369 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001593550778 1174121503 /nfs/dbraw/zinc/12/15/03/1174121503.db2.gz AFMAFBQSHGMDAJ-WCABBAIRSA-N -1 1 287.327 1.026 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001593550778 1174121504 /nfs/dbraw/zinc/12/15/04/1174121504.db2.gz AFMAFBQSHGMDAJ-WCABBAIRSA-N -1 1 287.327 1.026 20 0 CDADMM c1cc(N2CC[C@@H](C3CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001593557384 1174130581 /nfs/dbraw/zinc/13/05/81/1174130581.db2.gz KQZLFTIIDVTAOP-SNVBAGLBSA-N -1 1 256.313 1.498 20 0 CDADMM c1cc(NCCC[C@@H]2CCOC2)nc(-c2nnn[n-]2)c1 ZINC001593561283 1174136045 /nfs/dbraw/zinc/13/60/45/1174136045.db2.gz UOVZMJYMWWDHMW-SNVBAGLBSA-N -1 1 274.328 1.490 20 0 CDADMM c1cc(NCCC[C@@H]2CCOC2)nc(-c2nn[n-]n2)c1 ZINC001593561283 1174136047 /nfs/dbraw/zinc/13/60/47/1174136047.db2.gz UOVZMJYMWWDHMW-SNVBAGLBSA-N -1 1 274.328 1.490 20 0 CDADMM c1ccc([C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC001593572539 1174145256 /nfs/dbraw/zinc/14/52/56/1174145256.db2.gz BTJKNNAKOPUTCK-SNVBAGLBSA-N -1 1 294.322 1.046 20 0 CDADMM c1ccc([C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC001593572539 1174145262 /nfs/dbraw/zinc/14/52/62/1174145262.db2.gz BTJKNNAKOPUTCK-SNVBAGLBSA-N -1 1 294.322 1.046 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(S[C@H]2CCSC2)c1 ZINC001593585366 1174152048 /nfs/dbraw/zinc/15/20/48/1174152048.db2.gz ROQHILXZODDWFX-ZETCQYMHSA-N -1 1 265.367 1.859 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(S[C@H]2CCSC2)c1 ZINC001593585366 1174152051 /nfs/dbraw/zinc/15/20/51/1174152051.db2.gz ROQHILXZODDWFX-ZETCQYMHSA-N -1 1 265.367 1.859 20 0 CDADMM c1cc(CC2CN(c3nccnc3-c3nnn[n-]3)C2)cs1 ZINC001593584430 1174152800 /nfs/dbraw/zinc/15/28/00/1174152800.db2.gz WHGUUKKBTWJMSU-UHFFFAOYSA-N -1 1 299.363 1.397 20 0 CDADMM c1cc(CC2CN(c3nccnc3-c3nn[n-]n3)C2)cs1 ZINC001593584430 1174152805 /nfs/dbraw/zinc/15/28/05/1174152805.db2.gz WHGUUKKBTWJMSU-UHFFFAOYSA-N -1 1 299.363 1.397 20 0 CDADMM c1cncc([C@H]2CCCN2c2ncncc2-c2nn[n-]n2)c1 ZINC001593588024 1174156293 /nfs/dbraw/zinc/15/62/93/1174156293.db2.gz UEUUQWNVSNQIBD-GFCCVEGCSA-N -1 1 294.322 1.393 20 0 CDADMM c1cn2ncc(-c3nn[n-]n3)c2n1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001593592947 1174160178 /nfs/dbraw/zinc/16/01/78/1174160178.db2.gz FYTSDVQWRKFWGP-OUAUKWLOSA-N -1 1 283.339 1.752 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NCCOC2CCCC2)n1 ZINC001593594952 1174164329 /nfs/dbraw/zinc/16/43/29/1174164329.db2.gz KCDNFVYAHLKSGL-UHFFFAOYSA-N -1 1 275.316 1.028 20 0 CDADMM Cc1cc(CC(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])[nH]n1 ZINC001600187028 1174392314 /nfs/dbraw/zinc/39/23/14/1174392314.db2.gz HSQNAGAICVYJPX-NEPJUHHUSA-N -1 1 279.340 1.410 20 0 CDADMM Cc1nc[nH]c1C(=O)Nc1c(C)ccc(C(=O)[O-])c1O ZINC001600346112 1174449725 /nfs/dbraw/zinc/44/97/25/1174449725.db2.gz RTZSBPWXDRHDIQ-UHFFFAOYSA-N -1 1 275.264 1.683 20 0 CDADMM Cc1ccc2[nH]nnc2c1NC(=O)C[C@H](C)CC(=O)[O-] ZINC001600490372 1174489344 /nfs/dbraw/zinc/48/93/44/1174489344.db2.gz SBCCVLZUAKVBSW-ZETCQYMHSA-N -1 1 276.296 1.706 20 0 CDADMM Cc1cccc(-c2n[nH]cc2CN[C@@H](CF)C(=O)[O-])c1 ZINC001600506101 1174490914 /nfs/dbraw/zinc/49/09/14/1174490914.db2.gz HYTXBVPLHHGTCL-LBPRGKRZSA-N -1 1 277.299 1.897 20 0 CDADMM Cc1ccsc1CNC(=O)CN1CCC[C@@H]1CC(=O)[O-] ZINC001600608541 1174527393 /nfs/dbraw/zinc/52/73/93/1174527393.db2.gz HKRYHCDKALXCFO-LLVKDONJSA-N -1 1 296.392 1.612 20 0 CDADMM Cc1nc([C@@H](C)NCc2ccc(C(=O)[O-])c(F)c2)n[nH]1 ZINC001600792711 1174612429 /nfs/dbraw/zinc/61/24/29/1174612429.db2.gz SKCLWSPOYSYGPY-SSDOTTSWSA-N -1 1 278.287 1.801 20 0 CDADMM NCc1cc(C(=O)NCC2(CC(=O)[O-])CCCC2)ccn1 ZINC001601191076 1174785034 /nfs/dbraw/zinc/78/50/34/1174785034.db2.gz SERLKYFILMFQAD-UHFFFAOYSA-N -1 1 291.351 1.305 20 0 CDADMM N[C@@H](C(=O)Nc1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC001601201442 1174786261 /nfs/dbraw/zinc/78/62/61/1174786261.db2.gz YSMVGIPOJYCILQ-LLVKDONJSA-N -1 1 291.332 1.409 20 0 CDADMM O=C([O-])[C@@H](NCc1cnn2c1CCC2)c1cccc(O)c1 ZINC001601676688 1174941904 /nfs/dbraw/zinc/94/19/04/1174941904.db2.gz GISXYIWRTAEYKO-AWEZNQCLSA-N -1 1 287.319 1.450 20 0 CDADMM O=C([O-])[C@]1(C(=O)OCc2c[nH]nn2)C[C@H]1c1ccccc1 ZINC001601703800 1174956380 /nfs/dbraw/zinc/95/63/80/1174956380.db2.gz CFWPRHKJBOTFCE-FZMZJTMJSA-N -1 1 287.275 1.106 20 0 CDADMM O=C([O-])C1(CN[C@H](CO)c2c(F)cccc2F)CC1 ZINC001601709330 1174962684 /nfs/dbraw/zinc/96/26/84/1174962684.db2.gz QUDRWDZTUQGNAB-SNVBAGLBSA-N -1 1 271.263 1.453 20 0 CDADMM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2cnns2)C1 ZINC001601727306 1174970365 /nfs/dbraw/zinc/97/03/65/1174970365.db2.gz MROQIUJJNUYRRW-AWEZNQCLSA-N -1 1 289.360 1.766 20 0 CDADMM O=C([O-])C12CC(c3nc(-c4ccn5cncc5c4)no3)(C1)C2 ZINC001601730775 1174973064 /nfs/dbraw/zinc/97/30/64/1174973064.db2.gz PHGJPWFVDWITLB-UHFFFAOYSA-N -1 1 296.286 1.891 20 0 CDADMM O=C([O-])[C@H]1CC12CCN(CN1CC3(CC3)CC1=O)CC2 ZINC001601774644 1175001057 /nfs/dbraw/zinc/00/10/57/1175001057.db2.gz JOWNKYUTMGIVEF-LLVKDONJSA-N -1 1 278.352 1.143 20 0 CDADMM O=C([O-])[C@@H]1CCN(Cc2ncccn2)[C@@H]2CCC[C@H]21 ZINC001601828416 1175025798 /nfs/dbraw/zinc/02/57/98/1175025798.db2.gz WSNWERLYYHJHOO-QJPTWQEYSA-N -1 1 261.325 1.552 20 0 CDADMM O=C([O-])C[C@@]1(NCc2cc(-c3ccco3)on2)CCOC1 ZINC001601936466 1175074539 /nfs/dbraw/zinc/07/45/39/1175074539.db2.gz SVLSHCCOZBVWAN-AWEZNQCLSA-N -1 1 292.291 1.658 20 0 CDADMM O=C([O-])c1ccc(CN2C[C@@H]3COC(=O)[C@@H]3C2)cc1Cl ZINC001602339516 1175213221 /nfs/dbraw/zinc/21/32/21/1175213221.db2.gz AULXLNZXQREHGW-MWLCHTKSSA-N -1 1 295.722 1.643 20 0 CDADMM O=C([O-])c1ccc(CNCc2n[nH]c(C3CC3)n2)nc1 ZINC001602349932 1175220141 /nfs/dbraw/zinc/22/01/41/1175220141.db2.gz TVXLIIFDTXWURL-UHFFFAOYSA-N -1 1 273.296 1.065 20 0 CDADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccsc2)cn1 ZINC001602402032 1175232250 /nfs/dbraw/zinc/23/22/50/1175232250.db2.gz FSNIDGPMTPLAAK-UHFFFAOYSA-N -1 1 284.318 1.642 20 0 CDADMM O=C([O-])c1cnc(NC[C@@H](O)c2cnc[nH]2)c(Cl)c1 ZINC001602530634 1175275299 /nfs/dbraw/zinc/27/52/99/1175275299.db2.gz QTTQBSYPBYXJMZ-SECBINFHSA-N -1 1 282.687 1.302 20 0 CDADMM O=C([O-])c1cncc(CN[C@@H]2CCCn3nccc32)c1 ZINC001602539040 1175280192 /nfs/dbraw/zinc/28/01/92/1175280192.db2.gz KUTSUDGFWXLZKC-GFCCVEGCSA-N -1 1 272.308 1.601 20 0 CDADMM O=C([O-])c1occc1CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC001602589755 1175309756 /nfs/dbraw/zinc/30/97/56/1175309756.db2.gz KJOZNSCIILWKDA-LBPRGKRZSA-N -1 1 298.302 1.975 20 0 CDADMM O=C([O-])c1occc1CNC(=O)[C@@H]1CCN1C1CCCC1 ZINC001602589795 1175311997 /nfs/dbraw/zinc/31/19/97/1175311997.db2.gz LROKBSJUPDJWDG-LBPRGKRZSA-N -1 1 292.335 1.611 20 0 CDADMM C/C(=C\CN1CCc2c(cccc2C(N)=O)C1)C(=O)[O-] ZINC001602963343 1175463477 /nfs/dbraw/zinc/46/34/77/1175463477.db2.gz CIRJHWGLHYCZOM-BJMVGYQFSA-N -1 1 274.320 1.175 20 0 CDADMM CC(C)(CCNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001603139057 1175498505 /nfs/dbraw/zinc/49/85/05/1175498505.db2.gz CXPUHRFKTKGQCK-UHFFFAOYSA-N -1 1 273.344 1.895 20 0 CDADMM CC(C)(CCNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001603139057 1175498511 /nfs/dbraw/zinc/49/85/11/1175498511.db2.gz CXPUHRFKTKGQCK-UHFFFAOYSA-N -1 1 273.344 1.895 20 0 CDADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@H]2C[C@H]21 ZINC001603166771 1175507612 /nfs/dbraw/zinc/50/76/12/1175507612.db2.gz CQYBKMAMYLAYRL-DDTOSNHZSA-N -1 1 288.347 1.484 20 0 CDADMM CC(C)[C@H]1C[C@H]1COC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603243755 1175524559 /nfs/dbraw/zinc/52/45/59/1175524559.db2.gz HOSIAYKLIXKNMT-WCBMZHEXSA-N -1 1 276.296 1.909 20 0 CDADMM CC(C)[C@H]1C[C@H]1COC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001603243755 1175524560 /nfs/dbraw/zinc/52/45/60/1175524560.db2.gz HOSIAYKLIXKNMT-WCBMZHEXSA-N -1 1 276.296 1.909 20 0 CDADMM CC(C)c1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)nc1 ZINC001603395512 1175551061 /nfs/dbraw/zinc/55/10/61/1175551061.db2.gz RBFLHGHNIZUGCM-UHFFFAOYSA-N -1 1 298.310 1.361 20 0 CDADMM CC(C)c1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)nc1 ZINC001603395512 1175551064 /nfs/dbraw/zinc/55/10/64/1175551064.db2.gz RBFLHGHNIZUGCM-UHFFFAOYSA-N -1 1 298.310 1.361 20 0 CDADMM C[C@@](O)(CC(=O)OCc1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC001603689939 1175599605 /nfs/dbraw/zinc/59/96/05/1175599605.db2.gz DEWTZXWLEQXEKL-CYBMUJFWSA-N -1 1 292.295 1.054 20 0 CDADMM C[C@@](O)(CC(=O)OCc1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC001603689939 1175599609 /nfs/dbraw/zinc/59/96/09/1175599609.db2.gz DEWTZXWLEQXEKL-CYBMUJFWSA-N -1 1 292.295 1.054 20 0 CDADMM C[C@@]1(C(F)(F)F)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001603754659 1175617581 /nfs/dbraw/zinc/61/75/81/1175617581.db2.gz DWEVXEMUUXQDST-SNVBAGLBSA-N -1 1 299.260 1.435 20 0 CDADMM C[C@@]1(C(F)(F)F)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001603754659 1175617585 /nfs/dbraw/zinc/61/75/85/1175617585.db2.gz DWEVXEMUUXQDST-SNVBAGLBSA-N -1 1 299.260 1.435 20 0 CDADMM CC(C)C[C@H](NC(=O)CN(C1CC1)C1CC1)C(=O)[O-] ZINC001603776603 1175628212 /nfs/dbraw/zinc/62/82/12/1175628212.db2.gz QRXBKGOTKHRMHM-LBPRGKRZSA-N -1 1 268.357 1.229 20 0 CDADMM C[C@@H]1C[C@@H](O)CN1c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001603867288 1175660112 /nfs/dbraw/zinc/66/01/12/1175660112.db2.gz HFYVFKHLMQOYCY-NXEZZACHSA-N -1 1 296.334 1.374 20 0 CDADMM C[C@@H]1C[C@@H](O)CN1c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001603867288 1175660114 /nfs/dbraw/zinc/66/01/14/1175660114.db2.gz HFYVFKHLMQOYCY-NXEZZACHSA-N -1 1 296.334 1.374 20 0 CDADMM C[C@@H]1CC[C@@H](OC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001603881343 1175668110 /nfs/dbraw/zinc/66/81/10/1175668110.db2.gz LFRPTEVYBASTQB-RKDXNWHRSA-N -1 1 273.296 1.607 20 0 CDADMM C[C@@H]1CC[C@@H](OC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001603881343 1175668112 /nfs/dbraw/zinc/66/81/12/1175668112.db2.gz LFRPTEVYBASTQB-RKDXNWHRSA-N -1 1 273.296 1.607 20 0 CDADMM C[C@@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001603880167 1175668958 /nfs/dbraw/zinc/66/89/58/1175668958.db2.gz FGMGXOHHQFGJEY-UTLUCORTSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001603880167 1175668961 /nfs/dbraw/zinc/66/89/61/1175668961.db2.gz FGMGXOHHQFGJEY-UTLUCORTSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603884591 1175670199 /nfs/dbraw/zinc/67/01/99/1175670199.db2.gz QGQLZXXSDJTZDW-RKDXNWHRSA-N -1 1 275.312 1.863 20 0 CDADMM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603884591 1175670203 /nfs/dbraw/zinc/67/02/03/1175670203.db2.gz QGQLZXXSDJTZDW-RKDXNWHRSA-N -1 1 275.312 1.863 20 0 CDADMM CC[C@H](C)C[C@@H](C)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603999424 1175714568 /nfs/dbraw/zinc/71/45/68/1175714568.db2.gz DAHRSSGNQPCSAP-VHSXEESVSA-N -1 1 288.355 1.816 20 0 CDADMM CC[C@H](C)C[C@@H](C)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603999424 1175714571 /nfs/dbraw/zinc/71/45/71/1175714571.db2.gz DAHRSSGNQPCSAP-VHSXEESVSA-N -1 1 288.355 1.816 20 0 CDADMM CC[C@H](C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)OC ZINC001603998731 1175715187 /nfs/dbraw/zinc/71/51/87/1175715187.db2.gz GDTWOTIIDFBKIG-WPRPVWTQSA-N -1 1 277.332 1.130 20 0 CDADMM CC[C@H](C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)OC ZINC001603998731 1175715192 /nfs/dbraw/zinc/71/51/92/1175715192.db2.gz GDTWOTIIDFBKIG-WPRPVWTQSA-N -1 1 277.332 1.130 20 0 CDADMM CC[C@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)C(C)C ZINC001604071588 1175748980 /nfs/dbraw/zinc/74/89/80/1175748980.db2.gz JTAROOXBRJYBOU-NSHDSACASA-N -1 1 275.312 1.853 20 0 CDADMM CC[C@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)C(C)C ZINC001604071588 1175748987 /nfs/dbraw/zinc/74/89/87/1175748987.db2.gz JTAROOXBRJYBOU-NSHDSACASA-N -1 1 275.312 1.853 20 0 CDADMM C[C@@H]1C[C@@H](NC(=O)c2ccc([O-])cc2F)CCO1 ZINC000229790582 1178136735 /nfs/dbraw/zinc/13/67/35/1178136735.db2.gz BQSIEMFKODLKJJ-BDAKNGLRSA-N -1 1 253.273 1.829 20 0 CDADMM O=C(c1ccc([O-])cc1F)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000164772131 1180798898 /nfs/dbraw/zinc/79/88/98/1180798898.db2.gz QRDHGDQNTGUIIT-KGLIPLIRSA-N -1 1 295.310 1.551 20 0 CDADMM O=C(N[C@H]1CC[C@@H](CO)CC1)c1ccc([O-])cc1F ZINC000181268879 1182239805 /nfs/dbraw/zinc/23/98/05/1182239805.db2.gz HQCAOTSHFDYXOR-MGCOHNPYSA-N -1 1 267.300 1.812 20 0 CDADMM COc1cccc([C@H](N)C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC001771830341 1186893903 /nfs/dbraw/zinc/89/39/03/1186893903.db2.gz WISGGBUXOWLWNA-WFASDCNBSA-N -1 1 292.335 1.018 20 0 CDADMM COCc1noc(CN2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]2C)n1 ZINC001772037044 1187019520 /nfs/dbraw/zinc/01/95/20/1187019520.db2.gz GNEUBYQITKWCNC-DCJFZGGZSA-N -1 1 297.355 1.536 20 0 CDADMM CC[C@@H](C)n1nccc1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001772126312 1187083650 /nfs/dbraw/zinc/08/36/50/1187083650.db2.gz STRNAVCZSWIHQN-SNVBAGLBSA-N -1 1 298.350 1.762 20 0 CDADMM CCC(CC)n1nc(C(=O)OCc2nn[n-]n2)cc1C ZINC001772361008 1187197961 /nfs/dbraw/zinc/19/79/61/1187197961.db2.gz ACJBAKDOHTXLBJ-UHFFFAOYSA-N -1 1 278.316 1.423 20 0 CDADMM CN1CC[C@H]1CNC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001606218640 1163815056 /nfs/dbraw/zinc/81/50/56/1163815056.db2.gz KBJDLWIBVRUGDK-ZDUSSCGKSA-N -1 1 291.351 1.529 20 0 CDADMM COC(=O)[C@H](C)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001606321471 1163860476 /nfs/dbraw/zinc/86/04/76/1163860476.db2.gz KYOAFICVOYKGCT-TVYUQYBPSA-N -1 1 293.319 1.054 20 0 CDADMM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1CCC=C(C)C ZINC001606370895 1163879912 /nfs/dbraw/zinc/87/99/12/1163879912.db2.gz AXMTUPAIZCQGRD-NWDGAFQWSA-N -1 1 269.341 1.681 20 0 CDADMM COC[C@H]1C[C@@H](O)CN1Cc1ccc(C(=O)[O-])cc1F ZINC001606939049 1164034498 /nfs/dbraw/zinc/03/44/98/1164034498.db2.gz NECRTTUNZXATOG-VXGBXAGGSA-N -1 1 283.299 1.106 20 0 CDADMM c1cc(N2CC[C@H]2C2CCCC2)nc(-c2nn[n-]n2)n1 ZINC001607119474 1164100706 /nfs/dbraw/zinc/10/07/06/1164100706.db2.gz BSJOJNMMCCWAOW-JTQLQIEISA-N -1 1 271.328 1.426 20 0 CDADMM CSc1cccc(NC(=O)CN[C@H](C(=O)[O-])C2CC2)c1 ZINC001607412008 1164170333 /nfs/dbraw/zinc/17/03/33/1164170333.db2.gz ZZPIIGOOJHFFAV-ZDUSSCGKSA-N -1 1 294.376 1.800 20 0 CDADMM C[C@@H](C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1)N(C)C ZINC001607416747 1164171976 /nfs/dbraw/zinc/17/19/76/1164171976.db2.gz NLEMFMDGDILYBM-VIFPVBQESA-N -1 1 290.323 1.010 20 0 CDADMM CSc1n[nH]c(NC(=O)c2oc(C(=O)[O-])cc2C)n1 ZINC001607414943 1164172308 /nfs/dbraw/zinc/17/23/08/1164172308.db2.gz DOGOYDPXZPTGRI-UHFFFAOYSA-N -1 1 282.281 1.379 20 0 CDADMM COC(=O)[C@H](C)N(C)C(=O)c1c([O-])cccc1Cl ZINC000797764949 723088831 /nfs/dbraw/zinc/08/88/31/723088831.db2.gz MFJBLEIKHQGFJP-ZETCQYMHSA-N -1 1 271.700 1.679 20 0 CDADMM CCO[N-]C(=O)[C@@H](N)c1cccc(C(F)(F)F)c1 ZINC000876706596 723116872 /nfs/dbraw/zinc/11/68/72/723116872.db2.gz YVXZBSWPFYGOMV-VIFPVBQESA-N -1 1 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Cc1ccc2c(c1)S[C@H](C(=O)Nc1nn[n-]n1)C2 ZINC001116099915 937431219 /nfs/dbraw/zinc/43/12/19/937431219.db2.gz OKVUVHKHLDMDAK-VIFPVBQESA-N -1 1 261.310 1.164 20 0 CDADMM CC(C)(C)SCC[N-]S(=O)(=O)c1ccns1 ZINC000884996840 930659956 /nfs/dbraw/zinc/65/99/56/930659956.db2.gz BVDSLOHRHNBQBF-UHFFFAOYSA-N -1 1 280.440 1.953 20 0 CDADMM CC1(C)[C@H]([N-]S(=O)(=O)c2ccns2)[C@@H]2CCO[C@H]21 ZINC000885028383 930663856 /nfs/dbraw/zinc/66/38/56/930663856.db2.gz CPPWCAHDTJQCQA-FXBDTBDDSA-N -1 1 288.394 1.235 20 0 CDADMM COC1([C@H](C)[N-]S(=O)(=O)c2ccns2)CCC1 ZINC000885243450 930694740 /nfs/dbraw/zinc/69/47/40/930694740.db2.gz CNMKVGQLTBMJOA-QMMMGPOBSA-N -1 1 276.383 1.379 20 0 CDADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1COCCO1 ZINC000885675025 930743716 /nfs/dbraw/zinc/74/37/16/930743716.db2.gz ZRFGVOHERRDASL-JTQLQIEISA-N -1 1 275.663 1.539 20 0 CDADMM CC1(C)CCCC[C@@H]1NC(=O)Cc1sc(N)nc1[O-] ZINC000137290574 930820534 /nfs/dbraw/zinc/82/05/34/930820534.db2.gz VMPHFBUBAJZDHH-IUCAKERBSA-N -1 1 283.397 1.418 20 0 CDADMM O=c1[n-]c(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)n[nH]1 ZINC001116465351 937450022 /nfs/dbraw/zinc/45/00/22/937450022.db2.gz KXKLHNIZFWMYKV-SNVBAGLBSA-N -1 1 298.350 1.766 20 0 CDADMM C[C@@H](C(=O)NCCc1c(F)cc([O-])cc1F)n1cncn1 ZINC000886262976 930844323 /nfs/dbraw/zinc/84/43/23/930844323.db2.gz HTNSQIBYYXGQCX-QMMMGPOBSA-N -1 1 296.277 1.182 20 0 CDADMM O=C(CCCc1nn[n-]n1)NC1(Cc2ccccc2)CCC1 ZINC000820908389 930979095 /nfs/dbraw/zinc/97/90/95/930979095.db2.gz YJRNYARTBFAPCE-UHFFFAOYSA-N -1 1 299.378 1.804 20 0 CDADMM O=C([N-]OC1CCC1)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC000821223166 931024169 /nfs/dbraw/zinc/02/41/69/931024169.db2.gz ZYRYCFQGAGIBSJ-NHYWBVRUSA-N -1 1 272.304 1.497 20 0 CDADMM CC(=O)CC(C)(C)NC(=O)c1c[n-]c2cccnc2c1=O ZINC001153861838 937478280 /nfs/dbraw/zinc/47/82/80/937478280.db2.gz KXKLJJXVTGFTNU-UHFFFAOYSA-N -1 1 287.319 1.411 20 0 CDADMM CN1CC[C@]2(CC[N@H+](Cc3ccc(F)c(O)c3F)C2)C1=O ZINC001274794098 931580415 /nfs/dbraw/zinc/58/04/15/931580415.db2.gz UNONPCMNYDLIGM-OAHLLOKOSA-N -1 1 296.317 1.725 20 0 CDADMM CN1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(F)c([O-])cc1F)C2 ZINC001275346817 931743676 /nfs/dbraw/zinc/74/36/76/931743676.db2.gz VKALAAANWOIMQM-BDAKNGLRSA-N -1 1 282.290 1.447 20 0 CDADMM CN(C)C(=O)[C@H]1CC12CN(C(=O)c1cc(F)ccc1[O-])C2 ZINC001275361188 931748484 /nfs/dbraw/zinc/74/84/84/931748484.db2.gz PIYPFVAFIRURCK-LLVKDONJSA-N -1 1 292.310 1.082 20 0 CDADMM C[C@]1(CO)CN(Cc2c(F)cc([O-])cc2F)CC[C@H]1O ZINC001144545063 931882561 /nfs/dbraw/zinc/88/25/61/931882561.db2.gz QKKNMUMKFNQBMT-ZIAGYGMSSA-N -1 1 287.306 1.236 20 0 CDADMM CCOC(=O)[C@H]1[C@@H]2CN(Cc3c(F)cc([O-])cc3F)C[C@@H]21 ZINC001144559553 931899422 /nfs/dbraw/zinc/89/94/22/931899422.db2.gz NWPBUTUVBDZNBS-MSRIBSCDSA-N -1 1 297.301 1.911 20 0 CDADMM CN(Cc1cnn(C)c1)Cc1sccc1C(=O)[O-] ZINC001144664227 931950555 /nfs/dbraw/zinc/95/05/55/931950555.db2.gz BAJINTVTKSJDGS-UHFFFAOYSA-N -1 1 265.338 1.812 20 0 CDADMM O=C([O-])c1ccsc1CN1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001144670546 931953777 /nfs/dbraw/zinc/95/37/77/931953777.db2.gz KMZKWYSKDMTNFC-BDAKNGLRSA-N -1 1 289.303 1.912 20 0 CDADMM CCc1cc(CNC(=O)[C@]2(C(=O)[O-])CC=CCC2)n[nH]1 ZINC000846709839 932120347 /nfs/dbraw/zinc/12/03/47/932120347.db2.gz UVDOODCYQXFUFS-AWEZNQCLSA-N -1 1 277.324 1.399 20 0 CDADMM CN(C)C(=O)C12CC(NC(=O)c3cccc([O-])c3F)(C1)C2 ZINC001275984676 932198303 /nfs/dbraw/zinc/19/83/03/932198303.db2.gz RVNYEYWJHUSDBN-UHFFFAOYSA-N -1 1 292.310 1.272 20 0 CDADMM O=C(N[C@H](CO)c1ccc(F)cc1)c1ccc([O-])cn1 ZINC001412171063 932302517 /nfs/dbraw/zinc/30/25/17/932302517.db2.gz FKPVGEUDJGKZFI-CYBMUJFWSA-N -1 1 276.267 1.390 20 0 CDADMM COc1cc(C(=O)[N-]c2nnccc2C(F)(F)F)on1 ZINC001146931916 932356487 /nfs/dbraw/zinc/35/64/87/932356487.db2.gz GNZNOEJCAOOOKX-UHFFFAOYSA-N -1 1 288.185 1.744 20 0 CDADMM CO[C@@H]1CCC[C@H](CC(=O)NCc2nc([O-])cc(=O)[nH]2)C1 ZINC001412374901 932397446 /nfs/dbraw/zinc/39/74/46/932397446.db2.gz KFAOVGQZSYOGHX-VHSXEESVSA-N -1 1 295.339 1.099 20 0 CDADMM Cc1cc(=O)[nH]c([C@H](C)N2CCC(C(=O)[O-])CC2)n1 ZINC001118251588 937608301 /nfs/dbraw/zinc/60/83/01/937608301.db2.gz QXLGHPGBOKOQRS-VIFPVBQESA-N -1 1 265.313 1.348 20 0 CDADMM COC[C@H]1CCCN(Cc2cc(C(=O)[O-])no2)C1 ZINC000234802993 932608201 /nfs/dbraw/zinc/60/82/01/932608201.db2.gz FXMGGCZHJOPVSB-VIFPVBQESA-N -1 1 254.286 1.231 20 0 CDADMM Cc1ncc(CO)c(C(=O)N2CCC23CCCC3)c1[O-] ZINC001147835326 932617635 /nfs/dbraw/zinc/61/76/35/932617635.db2.gz DVVMSRZSUSWNLX-UHFFFAOYSA-N -1 1 276.336 1.747 20 0 CDADMM COC1CCC(NC(=O)c2c(CO)cnc(C)c2[O-])CC1 ZINC001147844668 932619046 /nfs/dbraw/zinc/61/90/46/932619046.db2.gz UXAJBSFXRWXSRR-UHFFFAOYSA-N -1 1 294.351 1.275 20 0 CDADMM Cc1cc(=O)n(-c2ccc(C(=O)Nc3ncn(C)n3)cc2)[n-]1 ZINC001148325888 932692998 /nfs/dbraw/zinc/69/29/98/932692998.db2.gz AFXRGWDUINOAQO-UHFFFAOYSA-N -1 1 298.306 1.180 20 0 CDADMM Cc1ccc(C(=O)Nc2[nH]c(=O)[n-]c(=O)c2N=O)c(O)c1 ZINC001148492842 932724549 /nfs/dbraw/zinc/72/45/49/932724549.db2.gz VXXUJZORYWCRRL-UHFFFAOYSA-N -1 1 290.235 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ZINC001159186341 938709409 /nfs/dbraw/zinc/70/94/09/938709409.db2.gz TVRLOKBMNWDQNV-UHFFFAOYSA-N -1 1 288.267 1.171 20 0 CDADMM O=c1[n-]c2nc(=O)[nH]c(Nc3ncc4c(n3)CCCC4)c2[nH]1 ZINC001159194635 938710479 /nfs/dbraw/zinc/71/04/79/938710479.db2.gz GYNAWOOWMLNDPV-UHFFFAOYSA-N -1 1 299.294 1.128 20 0 CDADMM Cc1nc2[nH]ccc2c(Nc2[n-]c(=O)nc3nc[nH]c32)n1 ZINC001159191797 938710649 /nfs/dbraw/zinc/71/06/49/938710649.db2.gz CRHBCAYYJBZZPW-UHFFFAOYSA-N -1 1 282.267 1.382 20 0 CDADMM CSc1cccnc1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001159198774 938711169 /nfs/dbraw/zinc/71/11/69/938711169.db2.gz XGTHUJBYCUWTJN-UHFFFAOYSA-N -1 1 274.309 1.919 20 0 CDADMM CCCc1nccnc1Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001159195852 938711342 /nfs/dbraw/zinc/71/13/42/938711342.db2.gz QVINDNIPDWHWKI-UHFFFAOYSA-N -1 1 287.283 1.202 20 0 CDADMM Cc1nc2n(n1)CCN(C(=O)c1ccc([O-])cc1F)C2 ZINC001362007370 970767282 /nfs/dbraw/zinc/76/72/82/970767282.db2.gz FOYQTOTUYUGBDC-UHFFFAOYSA-N -1 1 276.271 1.087 20 0 CDADMM CCOC(=O)c1nsc(C(=O)OC)c1[N-]c1cnoc1 ZINC001203234036 939679463 /nfs/dbraw/zinc/67/94/63/939679463.db2.gz MCHAUNVXZYZWQN-UHFFFAOYSA-N -1 1 297.292 1.838 20 0 CDADMM O=C([O-])c1ccc(CN2C[C@@H](F)C[C@H](CO)C2)cc1 ZINC001204150741 939738328 /nfs/dbraw/zinc/73/83/28/939738328.db2.gz KOJWJPIJYYGVTJ-AAEUAGOBSA-N -1 1 267.300 1.537 20 0 CDADMM Cn1[n-]cc2c(=NC(=O)NC/C=C\Cl)ccnc1-2 ZINC001204293990 939752982 /nfs/dbraw/zinc/75/29/82/939752982.db2.gz KDSGNHKMQUIBEI-SVLUXMBISA-N -1 1 265.704 1.216 20 0 CDADMM N[C@]1(C(F)(F)F)CCN(Cc2ccccc2C(=O)[O-])C1 ZINC001206229671 940001991 /nfs/dbraw/zinc/00/19/91/940001991.db2.gz OAGIJYFNMVWKMW-GFCCVEGCSA-N -1 1 288.269 1.850 20 0 CDADMM Nc1cncc([N-]c2nonc2-c2cn3ccncc3n2)c1 ZINC001210437325 940690778 /nfs/dbraw/zinc/69/07/78/940690778.db2.gz WTLOXRHXABGLAL-UHFFFAOYSA-N -1 1 294.278 1.500 20 0 CDADMM CCOC(=O)c1nonc1[N-]c1ccc(CO)c(F)c1 ZINC001210481205 940693445 /nfs/dbraw/zinc/69/34/45/940693445.db2.gz GISLCYWPMTYBBG-UHFFFAOYSA-N -1 1 281.243 1.621 20 0 CDADMM 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244356388 /nfs/dbraw/zinc/35/63/88/244356388.db2.gz HBCPQMUJFYAIAG-UHFFFAOYSA-N -1 1 294.373 1.191 20 0 CDADMM COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1cc(F)ccc1[O-] ZINC000274793106 284171444 /nfs/dbraw/zinc/17/14/44/284171444.db2.gz MVFMTYKONPSFJX-SKDRFNHKSA-N -1 1 295.310 1.945 20 0 CDADMM Cc1onc(N)c1S(=O)(=O)[N-]CCC1(C)CC1 ZINC000289980280 369741866 /nfs/dbraw/zinc/74/18/66/369741866.db2.gz UZVFCIMPYZMFCB-UHFFFAOYSA-N -1 1 259.331 1.034 20 0 CDADMM Cn1c2ccccc2c(Cl)c1C(=O)Nc1nn[n-]n1 ZINC000118685709 369866494 /nfs/dbraw/zinc/86/64/94/369866494.db2.gz FMADPQOOBUCUQA-UHFFFAOYSA-N -1 1 276.687 1.597 20 0 CDADMM CCC[C@@]1(CO)CCN(C(=O)c2cncc([O-])c2)C1 ZINC000290683373 370005304 /nfs/dbraw/zinc/00/53/04/370005304.db2.gz PGRGHNRXKLWOCO-CQSZACIVSA-N -1 1 264.325 1.412 20 0 CDADMM COC(=O)[C@@H]1CCCCCN1C(=O)c1ncccc1[O-] ZINC000370389224 370038007 /nfs/dbraw/zinc/03/80/07/370038007.db2.gz QCGSZTPJQSKNGM-JTQLQIEISA-N -1 1 278.308 1.345 20 0 CDADMM O=C(NC[C@]1(CO)C[C@H]1c1ccccc1)c1cncc([O-])c1 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ICWVPDZCJLAURI-CHWSQXEVSA-N -1 1 262.309 1.571 20 0 CDADMM CC[C@H](C(=O)[O-])N1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000659804736 414135618 /nfs/dbraw/zinc/13/56/18/414135618.db2.gz FENGSHQVVHXUDU-DJLDLDEBSA-N -1 1 269.263 1.891 20 0 CDADMM CCCCCNC(=O)CN1CCC(CCC(=O)[O-])CC1 ZINC000662217710 414568999 /nfs/dbraw/zinc/56/89/99/414568999.db2.gz RZALLMDKNINLEB-UHFFFAOYSA-N -1 1 284.400 1.870 20 0 CDADMM CCOc1ccc(NC(=O)CN(CC)CCC(=O)[O-])cc1 ZINC000038024456 174006785 /nfs/dbraw/zinc/00/67/85/174006785.db2.gz NWKJJKOLEWXABG-UHFFFAOYSA-N -1 1 294.351 1.820 20 0 CDADMM Nc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(O)c1 ZINC000040495236 174294170 /nfs/dbraw/zinc/29/41/70/174294170.db2.gz CPHFMGLABUQQFH-UHFFFAOYSA-N -1 1 282.296 1.914 20 0 CDADMM Cc1ccc(CCC(=O)NCc2nn[n-]n2)cc1Cl ZINC000044929235 175278937 /nfs/dbraw/zinc/27/89/37/175278937.db2.gz YFMDTNZVGZWXKU-UHFFFAOYSA-N -1 1 279.731 1.411 20 0 CDADMM O=C(C=Cc1cnn(-c2ccccc2)c1)Nc1nnn[n-]1 ZINC000072288584 176360980 /nfs/dbraw/zinc/36/09/80/176360980.db2.gz BGRHSUSSTCSDRK-VOTSOKGWSA-N -1 1 281.279 1.037 20 0 CDADMM O=C(C=Cc1cnn(-c2ccccc2)c1)Nc1nn[n-]n1 ZINC000072288584 176360981 /nfs/dbraw/zinc/36/09/81/176360981.db2.gz BGRHSUSSTCSDRK-VOTSOKGWSA-N -1 1 281.279 1.037 20 0 CDADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)C1CC1 ZINC000078776914 177386193 /nfs/dbraw/zinc/38/61/93/177386193.db2.gz PGYQOJZDSYOVQC-QMMMGPOBSA-N -1 1 277.368 1.904 20 0 CDADMM CC(=O)CCCCOC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001588791981 1173108052 /nfs/dbraw/zinc/10/80/52/1173108052.db2.gz MUGJWDKFGRVWSY-UHFFFAOYSA-N -1 1 292.295 1.684 20 0 CDADMM CC(=O)CCCCOC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001588791981 1173108054 /nfs/dbraw/zinc/10/80/54/1173108054.db2.gz MUGJWDKFGRVWSY-UHFFFAOYSA-N -1 1 292.295 1.684 20 0 CDADMM COc1ccc(-c2nc(-c3cnn(C)c3)no2)c([O-])c1 ZINC000087427319 260148954 /nfs/dbraw/zinc/14/89/54/260148954.db2.gz CVVKQYLLXVGDIK-UHFFFAOYSA-N -1 1 272.264 1.851 20 0 CDADMM CCN(C)C(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000188510147 264071815 /nfs/dbraw/zinc/07/18/15/264071815.db2.gz ITLIFEVACAYUIL-QMMMGPOBSA-N -1 1 284.743 1.642 20 0 CDADMM C[C@H]1CC[C@@H](CN=c2nc(C(F)(F)F)[n-]s2)O1 ZINC000397885125 270352272 /nfs/dbraw/zinc/35/22/72/270352272.db2.gz IJCYCDUMCSGKBO-WDSKDSINSA-N -1 1 267.276 1.958 20 0 CDADMM O=C(N[C@H](C1CC1)[C@@H]1CCCCO1)c1ncccc1[O-] ZINC000655224796 423941212 /nfs/dbraw/zinc/94/12/12/423941212.db2.gz XDPDMHURQMPASF-QWHCGFSZSA-N -1 1 276.336 1.865 20 0 CDADMM NC(=O)NCc1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000094062202 265213433 /nfs/dbraw/zinc/21/34/33/265213433.db2.gz MTOHINSSIYMVOB-UHFFFAOYSA-N -1 1 285.303 1.813 20 0 CDADMM O=C(NCCCc1nc2ccccc2[nH]1)c1cnn[nH]1 ZINC000049249970 424378823 /nfs/dbraw/zinc/37/88/23/424378823.db2.gz VQPSPFMDSWHXNG-UHFFFAOYSA-N -1 1 270.296 1.044 20 0 CDADMM CC(C)c1nc(CN(C[C@@H](C)C(=O)[O-])C2CC2)n[nH]1 ZINC000652488009 424491262 /nfs/dbraw/zinc/49/12/62/424491262.db2.gz AJBJVFTWPMQAEY-SECBINFHSA-N -1 1 266.345 1.613 20 0 CDADMM Cc1nnc([C@H](C)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)[nH]1 ZINC000652498811 424509275 /nfs/dbraw/zinc/50/92/75/424509275.db2.gz UMRGXRSFNHBWDY-GXSJLCMTSA-N -1 1 280.372 1.997 20 0 CDADMM CN(Cc1ccc(C(=O)[O-])c(F)c1)C[C@H]1COCCO1 ZINC000659789472 424569197 /nfs/dbraw/zinc/56/91/97/424569197.db2.gz IZSFXWASCKUOFA-NSHDSACASA-N -1 1 283.299 1.371 20 0 CDADMM CC1(C)C[C@H](N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CO1 ZINC000660556055 424624528 /nfs/dbraw/zinc/62/45/28/424624528.db2.gz DTAKTZRTRCDMDJ-UWVGGRQHSA-N -1 1 266.345 1.257 20 0 CDADMM Cc1ncc2c(n1)CCN(C(=O)c1cncc([O-])c1)C2 ZINC000520379960 265790767 /nfs/dbraw/zinc/79/07/67/265790767.db2.gz WGYGEQGTAQOVDI-UHFFFAOYSA-N -1 1 270.292 1.084 20 0 CDADMM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCS1 ZINC001590210099 1173294884 /nfs/dbraw/zinc/29/48/84/1173294884.db2.gz LWYYBHCFYHXBMG-HTQZYQBOSA-N -1 1 277.357 1.353 20 0 CDADMM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCS1 ZINC001590210099 1173294888 /nfs/dbraw/zinc/29/48/88/1173294888.db2.gz LWYYBHCFYHXBMG-HTQZYQBOSA-N -1 1 277.357 1.353 20 0 CDADMM C[C@@H]1CN(Cc2cccc(N(C)C)c2)C[C@@H](C(=O)[O-])O1 ZINC000530170716 271129607 /nfs/dbraw/zinc/12/96/07/271129607.db2.gz TXXIINYCJZVKTH-RISCZKNCSA-N -1 1 278.352 1.427 20 0 CDADMM CC[C@H](C)[C@@H](C)C(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001590398052 1173388273 /nfs/dbraw/zinc/38/82/73/1173388273.db2.gz VYLNOSHZFLAPCT-JGVFFNPUSA-N -1 1 291.359 1.529 20 0 CDADMM CC[C@H](C)[C@@H](C)C(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001590398052 1173388278 /nfs/dbraw/zinc/38/82/78/1173388278.db2.gz VYLNOSHZFLAPCT-JGVFFNPUSA-N -1 1 291.359 1.529 20 0 CDADMM CC(C)c1nc2c(n1C)CCN([C@@H](C)C(=O)[O-])C2 ZINC000262159335 278075474 /nfs/dbraw/zinc/07/54/74/278075474.db2.gz AXINNCMPCLSAFR-VIFPVBQESA-N -1 1 251.330 1.375 20 0 CDADMM CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590413874 1173400836 /nfs/dbraw/zinc/40/08/36/1173400836.db2.gz GFMHJCTXBRNJNH-ZCFIWIBFSA-N -1 1 287.370 1.005 20 0 CDADMM CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590413874 1173400842 /nfs/dbraw/zinc/40/08/42/1173400842.db2.gz 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/nfs/dbraw/zinc/42/67/23/1173426723.db2.gz DGDYYXCXSYIJNP-JTQLQIEISA-N -1 1 276.344 1.533 20 0 CDADMM CC[C@@H](SC)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590482043 1173431714 /nfs/dbraw/zinc/43/17/14/1173431714.db2.gz NTIPOPWKSZEWNJ-SSDOTTSWSA-N -1 1 298.397 1.081 20 0 CDADMM CC[C@@H](SC)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590482043 1173431722 /nfs/dbraw/zinc/43/17/22/1173431722.db2.gz NTIPOPWKSZEWNJ-SSDOTTSWSA-N -1 1 298.397 1.081 20 0 CDADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2C)co1 ZINC000158268920 289305253 /nfs/dbraw/zinc/30/52/53/289305253.db2.gz XLBBGAINYDHWPY-VIFPVBQESA-N -1 1 286.353 1.202 20 0 CDADMM Cn1[n-]c(CN(Cc2cccc(O)c2)CC2CC2)nc1=O ZINC000554563509 290175304 /nfs/dbraw/zinc/17/53/04/290175304.db2.gz ZGGWDSLVMGKNMN-UHFFFAOYSA-N -1 1 288.351 1.226 20 0 CDADMM O=C(CC1(C(F)(F)F)CC1)NC1(c2nn[n-]n2)CC1 ZINC000557801752 290369693 /nfs/dbraw/zinc/36/96/93/290369693.db2.gz QGVHSBMDEMCKCI-UHFFFAOYSA-N -1 1 275.234 1.038 20 0 CDADMM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2ncnn2C(C)(C)C)C1 ZINC000563289078 293335942 /nfs/dbraw/zinc/33/59/42/293335942.db2.gz JXVDAENGOQKXQS-OAHLLOKOSA-N -1 1 294.399 1.966 20 0 CDADMM CCc1oc(C(=O)[O-])cc1CN(CCOC)CCOC ZINC000565105094 293523438 /nfs/dbraw/zinc/52/34/38/293523438.db2.gz XHYFKIFYRYVAKZ-UHFFFAOYSA-N -1 1 285.340 1.635 20 0 CDADMM CCCC[C@H](C)OC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590576718 1173468661 /nfs/dbraw/zinc/46/86/61/1173468661.db2.gz DRSBMMRWTMPKHX-DTWKUNHWSA-N -1 1 293.331 1.141 20 0 CDADMM CCCN(C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590618509 1173473806 /nfs/dbraw/zinc/47/38/06/1173473806.db2.gz ULLRXRVEZOESJX-UHFFFAOYSA-N -1 1 280.357 1.480 20 0 CDADMM Cc1cnc(S[C@@H](C)c2nncn2C)[n-]c1=O ZINC000571702739 294491074 /nfs/dbraw/zinc/49/10/74/294491074.db2.gz RKSYYVBDXAQYRR-ZETCQYMHSA-N -1 1 251.315 1.472 20 0 CDADMM CCN(C[C@@H]1CCOC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001590690770 1173491280 /nfs/dbraw/zinc/49/12/80/1173491280.db2.gz FALYCAMCBPKWEM-JTQLQIEISA-N -1 1 274.328 1.125 20 0 CDADMM CCN(C[C@@H]1CCOC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001590690770 1173491287 /nfs/dbraw/zinc/49/12/87/1173491287.db2.gz FALYCAMCBPKWEM-JTQLQIEISA-N -1 1 274.328 1.125 20 0 CDADMM Cc1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])n[nH]1 ZINC000229012362 301121383 /nfs/dbraw/zinc/12/13/83/301121383.db2.gz TVRBFOXCQAMFOV-ATZCPNFKSA-N -1 1 263.297 1.043 20 0 CDADMM Cc1cnc(C(=O)N2CCOC[C@@H](C3CCC3)C2)c([O-])c1 ZINC000329227010 302333087 /nfs/dbraw/zinc/33/30/87/302333087.db2.gz HUWKMWFEWRXXFA-ZDUSSCGKSA-N -1 1 290.363 1.984 20 0 CDADMM CN(C)C(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001591004991 1173560016 /nfs/dbraw/zinc/56/00/16/1173560016.db2.gz XJFKCGXUOGYCIG-UHFFFAOYSA-N -1 1 256.269 1.050 20 0 CDADMM CN(C[C@@H]1CC1(C)C)c1ccnc(-c2nnn[n-]2)c1 ZINC001591053798 1173566133 /nfs/dbraw/zinc/56/61/33/1173566133.db2.gz SDIRDENSESMCEL-VIFPVBQESA-N -1 1 258.329 1.744 20 0 CDADMM CN(C[C@@H]1CC1(C)C)c1ccnc(-c2nn[n-]n2)c1 ZINC001591053798 1173566139 /nfs/dbraw/zinc/56/61/39/1173566139.db2.gz SDIRDENSESMCEL-VIFPVBQESA-N -1 1 258.329 1.744 20 0 CDADMM CN(C[C@H]1CCCCO1)c1cccnc1-c1nnn[n-]1 ZINC001591056921 1173569365 /nfs/dbraw/zinc/56/93/65/1173569365.db2.gz URRQHJBFJVKTLC-SNVBAGLBSA-N -1 1 274.328 1.267 20 0 CDADMM CN(C[C@H]1CCCCO1)c1cccnc1-c1nn[n-]n1 ZINC001591056921 1173569374 /nfs/dbraw/zinc/56/93/74/1173569374.db2.gz URRQHJBFJVKTLC-SNVBAGLBSA-N -1 1 274.328 1.267 20 0 CDADMM COC(C)(C)CC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591315945 1173601765 /nfs/dbraw/zinc/60/17/65/1173601765.db2.gz KAULSNBHNUMWSO-UHFFFAOYSA-N -1 1 276.300 1.015 20 0 CDADMM COC(C)(C)CC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591315945 1173601769 /nfs/dbraw/zinc/60/17/69/1173601769.db2.gz KAULSNBHNUMWSO-UHFFFAOYSA-N -1 1 276.300 1.015 20 0 CDADMM CS[C@@H](C)CC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001591689985 1173682112 /nfs/dbraw/zinc/68/21/12/1173682112.db2.gz SMHANCYYHDTYJI-YFKPBYRVSA-N -1 1 298.397 1.712 20 0 CDADMM CS[C@@H](C)CC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001591689985 1173682114 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CN1CCO[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)C1 ZINC000351222192 316246768 /nfs/dbraw/zinc/24/67/68/316246768.db2.gz MEJRJMISNACKEJ-LLVKDONJSA-N -1 1 279.271 1.584 20 0 CDADMM CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000563525312 316323849 /nfs/dbraw/zinc/32/38/49/316323849.db2.gz CTDKEVRICOOEIH-MNOVXSKESA-N -1 1 291.319 1.811 20 0 CDADMM CCc1nc(SCc2nnnn2C2CC2)[n-]c(=O)c1C ZINC000575138634 316967842 /nfs/dbraw/zinc/96/78/42/316967842.db2.gz HWMILLLQJRWLPG-UHFFFAOYSA-N -1 1 292.368 1.667 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(CCC2CCOCC2)c1C ZINC001592339543 1173862196 /nfs/dbraw/zinc/86/21/96/1173862196.db2.gz OSGVJHXLWKGAHV-UHFFFAOYSA-N -1 1 276.344 1.497 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(CCC2CCOCC2)c1C ZINC001592339543 1173862205 /nfs/dbraw/zinc/86/22/05/1173862205.db2.gz OSGVJHXLWKGAHV-UHFFFAOYSA-N -1 1 276.344 1.497 20 0 CDADMM Cc1nc([C@@H](C)NCc2csc(-c3nn[n-]n3)c2)no1 ZINC001592354840 1173865947 /nfs/dbraw/zinc/86/59/47/1173865947.db2.gz ZYPCUJXSYPTKIG-ZCFIWIBFSA-N -1 1 291.340 1.470 20 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CCOc1ccc(OCCN2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000830089045 601440198 /nfs/dbraw/zinc/44/01/98/601440198.db2.gz XDHHBLFSMGLQFK-HNNXBMFYSA-N -1 1 297.326 1.963 20 0 CDADMM C[C@H](CN(Cc1ccccc1)C(=O)[C@H](C)N(C)C)C(=O)[O-] ZINC000827455135 601448454 /nfs/dbraw/zinc/44/84/54/601448454.db2.gz JXOTWYRWRZGLST-OLZOCXBDSA-N -1 1 292.379 1.686 20 0 CDADMM CCc1ccccc1NC(=O)CN1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000830281872 601533307 /nfs/dbraw/zinc/53/33/07/601533307.db2.gz FROIJIOOHLHOMX-DGCLKSJQSA-N -1 1 290.363 1.840 20 0 CDADMM Cc1cc(CC(=O)Nc2ccc(F)c(C(=O)[O-])c2)n[nH]1 ZINC000832883312 601645005 /nfs/dbraw/zinc/64/50/05/601645005.db2.gz LPDYPZCDQXSRJV-UHFFFAOYSA-N -1 1 277.255 1.737 20 0 CDADMM Cc1cc(CC(=O)NC2(CC(=O)[O-])CCCCC2)[nH]n1 ZINC000832884443 601688574 /nfs/dbraw/zinc/68/85/74/601688574.db2.gz ZPXFSBWOQYZZRD-UHFFFAOYSA-N -1 1 279.340 1.554 20 0 CDADMM CCOC(=O)c1cn(CN2CC[C@@](C)(C(=O)[O-])C2)nc1C ZINC000829890470 601891859 /nfs/dbraw/zinc/89/18/59/601891859.db2.gz TZGPQIPCVVJNKE-CQSZACIVSA-N -1 1 295.339 1.122 20 0 CDADMM COc1cccc(NC(=O)CN2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000062936292 601945060 /nfs/dbraw/zinc/94/50/60/601945060.db2.gz HUICGSGQRDIZDY-HNNXBMFYSA-N -1 1 292.335 1.430 20 0 CDADMM C[C@@]1(C(=O)[O-])CCN(Cc2nnc(C3CC3)o2)C1 ZINC000700332566 601952079 /nfs/dbraw/zinc/95/20/79/601952079.db2.gz IHMFZLCEFOQVCH-GFCCVEGCSA-N -1 1 251.286 1.244 20 0 CDADMM Cc1cc(C(=O)CN2CC[C@@](C)(C(=O)[O-])C2)c(C)[nH]1 ZINC000832859941 601953792 /nfs/dbraw/zinc/95/37/92/601953792.db2.gz WGOVMEOKAXJETF-CQSZACIVSA-N -1 1 264.325 1.611 20 0 CDADMM CCc1cc(=O)[n-]c(C[NH2+][C@](C)(CC)CC(=O)[O-])n1 ZINC000830224924 602218340 /nfs/dbraw/zinc/21/83/40/602218340.db2.gz XWPSBTUROFUYLI-CYBMUJFWSA-N -1 1 267.329 1.478 20 0 CDADMM CC(C)CC1CCN([C@H](C)C(=O)NCC(=O)[O-])CC1 ZINC000826841220 602229582 /nfs/dbraw/zinc/22/95/82/602229582.db2.gz XUCHRVBURGLWRY-LLVKDONJSA-N -1 1 270.373 1.334 20 0 CDADMM Cc1cc(C[C@H](C)NC(=O)c2ccnc(C(=O)[O-])c2)n[nH]1 ZINC000832883812 604347902 /nfs/dbraw/zinc/34/79/02/604347902.db2.gz QCUSCGSTGCQDMR-QMMMGPOBSA-N -1 1 288.307 1.172 20 0 CDADMM O=C([O-])N1CC(NCc2cnc3ccccc3c2)C1 ZINC000831851813 604420204 /nfs/dbraw/zinc/42/02/04/604420204.db2.gz CNJISVUKCFDMNS-UHFFFAOYSA-N -1 1 257.293 1.687 20 0 CDADMM CCc1nc(NC(=O)[C@@H](CC)N(C)C)sc1C(=O)[O-] ZINC000833675621 604493539 /nfs/dbraw/zinc/49/35/39/604493539.db2.gz XYNCOVMTUQEJHR-MRVPVSSYSA-N -1 1 285.369 1.682 20 0 CDADMM CC(C)N(CCC(=O)[O-])Cn1ccc(Br)n1 ZINC000833497634 604507019 /nfs/dbraw/zinc/50/70/19/604507019.db2.gz KAJGFRGKKJFRDJ-UHFFFAOYSA-N -1 1 290.161 1.788 20 0 CDADMM COc1cc(OC)c(CN(CC(=O)[O-])C2CC2)c(OC)c1 ZINC000086751927 604755989 /nfs/dbraw/zinc/75/59/89/604755989.db2.gz CMIXXXKWYAUCJL-UHFFFAOYSA-N -1 1 295.335 1.761 20 0 CDADMM C[C@@H]1[C@@H](C)N(C(=O)c2cccc(NC(=O)[O-])c2)CCN1C ZINC000833588232 604838659 /nfs/dbraw/zinc/83/86/59/604838659.db2.gz OZVIZZPFKRQJHM-GHMZBOCLSA-N -1 1 291.351 1.941 20 0 CDADMM CSc1n[nH]c(NC(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000832798472 604966006 /nfs/dbraw/zinc/96/60/06/604966006.db2.gz KMXPMOXZXXPDRW-UHFFFAOYSA-N -1 1 296.283 1.616 20 0 CDADMM CC(C)C(=O)NCCN(C)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000833467686 605057043 /nfs/dbraw/zinc/05/70/43/605057043.db2.gz QTJMDLSSQNQUSA-JTQLQIEISA-N -1 1 282.340 1.743 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C\C(C)(C)C ZINC000833620524 605101234 /nfs/dbraw/zinc/10/12/34/605101234.db2.gz KYWLGPIDHDBWDO-SMYYYNMVSA-N -1 1 282.384 1.596 20 0 CDADMM C[C@@H]1CCC[C@H](C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)C1 ZINC000833608522 605112015 /nfs/dbraw/zinc/11/20/15/605112015.db2.gz BDNFNLWJNOVBPW-MCIONIFRSA-N -1 1 296.411 1.820 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C/C(Cl)=C/Cl ZINC000833629799 605188863 /nfs/dbraw/zinc/18/88/63/605188863.db2.gz ZVLUTPBEPMOGME-LKJZUNMESA-N -1 1 281.183 1.786 20 0 CDADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCOC[C@H]2C2CC2)O1 ZINC000833576431 605376013 /nfs/dbraw/zinc/37/60/13/605376013.db2.gz AGSACIIALSCHIS-AAEUAGOBSA-N -1 1 267.325 1.245 20 0 CDADMM c1nc(-c2nn[n-]n2)nn1C[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001602749289 1175385197 /nfs/dbraw/zinc/38/51/97/1175385197.db2.gz LEBHKBMHGRVSQC-UTLUCORTSA-N -1 1 257.301 1.061 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2)[C@@H](C)CN1C ZINC000833620788 605530433 /nfs/dbraw/zinc/53/04/33/605530433.db2.gz HJEYYXYCPSOGIU-QWRGUYRKSA-N -1 1 291.351 1.941 20 0 CDADMM C[C@@H](CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])C1CC1 ZINC000820227127 606294846 /nfs/dbraw/zinc/29/48/46/606294846.db2.gz YYHBZRXBWHJWKI-QMMMGPOBSA-N -1 1 287.323 1.947 20 0 CDADMM Cc1ocnc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822553482 606295377 /nfs/dbraw/zinc/29/53/77/606295377.db2.gz LDBFBVPNILKLJW-UHFFFAOYSA-N -1 1 286.251 1.121 20 0 CDADMM CCC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821014286 606488519 /nfs/dbraw/zinc/48/85/19/606488519.db2.gz DDNRBMHCLQLNGI-SSDOTTSWSA-N -1 1 265.342 1.847 20 0 CDADMM CCC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821014286 606488520 /nfs/dbraw/zinc/48/85/20/606488520.db2.gz DDNRBMHCLQLNGI-SSDOTTSWSA-N -1 1 265.342 1.847 20 0 CDADMM O=C(OC[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)s1 ZINC000823397379 606489705 /nfs/dbraw/zinc/48/97/05/606489705.db2.gz WGSRVVISIOMRRW-QMMMGPOBSA-N -1 1 294.336 1.654 20 0 CDADMM O=C(OC[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)s1 ZINC000823397379 606489707 /nfs/dbraw/zinc/48/97/07/606489707.db2.gz WGSRVVISIOMRRW-QMMMGPOBSA-N -1 1 294.336 1.654 20 0 CDADMM CC[C@@H](COC)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820909569 606569130 /nfs/dbraw/zinc/56/91/30/606569130.db2.gz WYPZCQJJQCJVQX-ZETCQYMHSA-N -1 1 281.341 1.083 20 0 CDADMM CC[C@@H](COC)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820909569 606569131 /nfs/dbraw/zinc/56/91/31/606569131.db2.gz WYPZCQJJQCJVQX-ZETCQYMHSA-N -1 1 281.341 1.083 20 0 CDADMM CCC1(COC(=O)c2sccc2-c2nn[n-]n2)COC1 ZINC000820967188 606629002 /nfs/dbraw/zinc/62/90/02/606629002.db2.gz LJYYPRFHKUNFET-UHFFFAOYSA-N -1 1 294.336 1.512 20 0 CDADMM O=C(C=Cc1ccco1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822935767 606653533 /nfs/dbraw/zinc/65/35/33/606653533.db2.gz NDHDGKCTIAIROG-ONEGZZNKSA-N -1 1 297.274 1.611 20 0 CDADMM O=C(C=Cc1ccco1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822935767 606653534 /nfs/dbraw/zinc/65/35/34/606653534.db2.gz NDHDGKCTIAIROG-ONEGZZNKSA-N -1 1 297.274 1.611 20 0 CDADMM C[C@]1(CNC(=O)c2ccc(-c3nnn[n-]3)s2)CCCO1 ZINC000820618670 606688218 /nfs/dbraw/zinc/68/82/18/606688218.db2.gz LLZZVDJQNHXVIT-GFCCVEGCSA-N -1 1 293.352 1.227 20 0 CDADMM C[C@]1(CNC(=O)c2ccc(-c3nn[n-]n3)s2)CCCO1 ZINC000820618670 606688219 /nfs/dbraw/zinc/68/82/19/606688219.db2.gz LLZZVDJQNHXVIT-GFCCVEGCSA-N -1 1 293.352 1.227 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCSC1 ZINC000823436391 606802086 /nfs/dbraw/zinc/80/20/86/606802086.db2.gz SVFSZRQAVPFHBO-VIFPVBQESA-N -1 1 291.336 1.058 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCSC1 ZINC000823436391 606802088 /nfs/dbraw/zinc/80/20/88/606802088.db2.gz SVFSZRQAVPFHBO-VIFPVBQESA-N -1 1 291.336 1.058 20 0 CDADMM CC(=CC(=O)n1ncc(-c2nn[n-]n2)c1N)C(C)(C)C ZINC000819764730 606828086 /nfs/dbraw/zinc/82/80/86/606828086.db2.gz KPJSKHZUVMDBOQ-ALCCZGGFSA-N -1 1 275.316 1.278 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@@H]2CC3CCC2CC3)n1 ZINC000823809552 607131892 /nfs/dbraw/zinc/13/18/92/607131892.db2.gz NLTKWWXTTDQCSL-UDNWOFFPSA-N -1 1 271.328 1.647 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@@H]2CC3CCC2CC3)n1 ZINC000823809552 607131894 /nfs/dbraw/zinc/13/18/94/607131894.db2.gz NLTKWWXTTDQCSL-UDNWOFFPSA-N -1 1 271.328 1.647 20 0 CDADMM CCc1noc(C)c1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825776470 607855804 /nfs/dbraw/zinc/85/58/04/607855804.db2.gz JFOYOUJHUCQCOO-UHFFFAOYSA-N -1 1 299.294 1.373 20 0 CDADMM CCc1noc(C)c1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825776470 607855805 /nfs/dbraw/zinc/85/58/05/607855805.db2.gz JFOYOUJHUCQCOO-UHFFFAOYSA-N -1 1 299.294 1.373 20 0 CDADMM CC(C)n1cnnc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000824378005 607898598 /nfs/dbraw/zinc/89/85/98/607898598.db2.gz VSRIWXDKUQBTLE-UHFFFAOYSA-N -1 1 285.315 1.046 20 0 CDADMM CC(C)n1cnnc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000824378005 607898599 /nfs/dbraw/zinc/89/85/99/607898599.db2.gz VSRIWXDKUQBTLE-UHFFFAOYSA-N -1 1 285.315 1.046 20 0 CDADMM CS[C@@H](C)CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826224684 607961852 /nfs/dbraw/zinc/96/18/52/607961852.db2.gz KAVSKXSEVQNDPI-ZETCQYMHSA-N -1 1 293.352 1.652 20 0 CDADMM c1cnc(Oc2ccc3nccnc3c2)c(-c2nn[n-]n2)c1 ZINC000826525292 608018399 /nfs/dbraw/zinc/01/83/99/608018399.db2.gz DONRWJCWMVPQIT-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM O=C(OC1CCOCC1)c1sccc1-c1nn[n-]n1 ZINC000826463074 608188883 /nfs/dbraw/zinc/18/88/83/608188883.db2.gz RNQNFCQQSPQPJT-UHFFFAOYSA-N -1 1 280.309 1.264 20 0 CDADMM OCC1(Nc2cc(-c3nnn[n-]3)nc3ccccc32)CCC1 ZINC000826508566 608381238 /nfs/dbraw/zinc/38/12/38/608381238.db2.gz UDSGCKCABXNEHU-UHFFFAOYSA-N -1 1 296.334 1.164 20 0 CDADMM OCC1(Nc2cc(-c3nn[n-]n3)nc3ccccc32)CCC1 ZINC000826508566 608381239 /nfs/dbraw/zinc/38/12/39/608381239.db2.gz UDSGCKCABXNEHU-UHFFFAOYSA-N -1 1 296.334 1.164 20 0 CDADMM COc1ccccc1Oc1ccc(-c2nnn[n-]2)nn1 ZINC000826221118 608388678 /nfs/dbraw/zinc/38/86/78/608388678.db2.gz PPPMRLNRHOHKNW-UHFFFAOYSA-N -1 1 270.252 1.458 20 0 CDADMM COc1ccccc1Oc1ccc(-c2nn[n-]n2)nn1 ZINC000826221118 608388680 /nfs/dbraw/zinc/38/86/80/608388680.db2.gz PPPMRLNRHOHKNW-UHFFFAOYSA-N -1 1 270.252 1.458 20 0 CDADMM c1ccc([C@@H]2C[C@@H]2Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826520687 608405986 /nfs/dbraw/zinc/40/59/86/608405986.db2.gz PKPLXENJTMTBAA-JQWIXIFHSA-N -1 1 279.307 1.625 20 0 CDADMM c1ccc([C@@H]2C[C@@H]2Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826520687 608405988 /nfs/dbraw/zinc/40/59/88/608405988.db2.gz PKPLXENJTMTBAA-JQWIXIFHSA-N -1 1 279.307 1.625 20 0 CDADMM c1cc(N2CCC3(CCC3)C2)nnc1-c1nnn[n-]1 ZINC000826516681 608432265 /nfs/dbraw/zinc/43/22/65/608432265.db2.gz VYFMJFPXZGRRMA-UHFFFAOYSA-N -1 1 257.301 1.037 20 0 CDADMM c1cc(N2CCC3(CCC3)C2)nnc1-c1nn[n-]n1 ZINC000826516681 608432267 /nfs/dbraw/zinc/43/22/67/608432267.db2.gz VYFMJFPXZGRRMA-UHFFFAOYSA-N -1 1 257.301 1.037 20 0 CDADMM FC(F)(F)C1=CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826366921 608437606 /nfs/dbraw/zinc/43/76/06/608437606.db2.gz DBMOZIVCJZFQIG-UHFFFAOYSA-N -1 1 297.244 1.356 20 0 CDADMM FC(F)(F)C1=CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826366921 608437607 /nfs/dbraw/zinc/43/76/07/608437607.db2.gz DBMOZIVCJZFQIG-UHFFFAOYSA-N -1 1 297.244 1.356 20 0 CDADMM C[C@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)C[C@@H]1O ZINC000824991698 608553146 /nfs/dbraw/zinc/55/31/46/608553146.db2.gz FICOQILAUWRAAW-XPTSAGLGSA-N -1 1 296.334 1.232 20 0 CDADMM C[C@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)C[C@@H]1O ZINC000824991698 608553148 /nfs/dbraw/zinc/55/31/48/608553148.db2.gz FICOQILAUWRAAW-XPTSAGLGSA-N -1 1 296.334 1.232 20 0 CDADMM O=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccc([O-])cc1F ZINC000826456510 609287187 /nfs/dbraw/zinc/28/71/87/609287187.db2.gz IOFMNBCTXYLJAO-UHFFFAOYSA-N -1 1 299.265 1.964 20 0 CDADMM Fc1cccc(CCCn2ccnc2-c2nnn[n-]2)c1 ZINC000826376438 609421906 /nfs/dbraw/zinc/42/19/06/609421906.db2.gz DQMLIQKAMPQHEG-UHFFFAOYSA-N -1 1 272.287 1.835 20 0 CDADMM Fc1cccc(CCCn2ccnc2-c2nn[n-]n2)c1 ZINC000826376438 609421907 /nfs/dbraw/zinc/42/19/07/609421907.db2.gz DQMLIQKAMPQHEG-UHFFFAOYSA-N -1 1 272.287 1.835 20 0 CDADMM Fc1cccc(F)c1Cn1ccnc1-c1nnn[n-]1 ZINC000826377103 609517808 /nfs/dbraw/zinc/51/78/08/609517808.db2.gz DZQCVORXIVELHF-UHFFFAOYSA-N -1 1 262.223 1.390 20 0 CDADMM Fc1cccc(F)c1Cn1ccnc1-c1nn[n-]n1 ZINC000826377103 609517809 /nfs/dbraw/zinc/51/78/09/609517809.db2.gz DZQCVORXIVELHF-UHFFFAOYSA-N -1 1 262.223 1.390 20 0 CDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC(C)(C)C1 ZINC000825000949 609592315 /nfs/dbraw/zinc/59/23/15/609592315.db2.gz VVVWAVVLGGGKAM-SECBINFHSA-N -1 1 273.344 1.529 20 0 CDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC(C)(C)C1 ZINC000825000949 609592317 /nfs/dbraw/zinc/59/23/17/609592317.db2.gz VVVWAVVLGGGKAM-SECBINFHSA-N -1 1 273.344 1.529 20 0 CDADMM C[C@@H]1OCC[C@]1(C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825014304 609605073 /nfs/dbraw/zinc/60/50/73/609605073.db2.gz VKYLKZMCKZUUOT-MADCSZMMSA-N -1 1 293.352 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CCc1nnc(Oc2cccnc2-c2nnn[n-]2)nc1CC ZINC001604584421 1163238064 /nfs/dbraw/zinc/23/80/64/1163238064.db2.gz VCTKOBRWNXAIOO-UHFFFAOYSA-N -1 1 298.310 1.364 20 0 CDADMM CCc1nnc(Oc2cccnc2-c2nn[n-]n2)nc1CC ZINC001604584421 1163238069 /nfs/dbraw/zinc/23/80/69/1163238069.db2.gz VCTKOBRWNXAIOO-UHFFFAOYSA-N -1 1 298.310 1.364 20 0 CDADMM Cc1cc(C(=O)NCCN2CC=C(C)CC2)oc1C(=O)[O-] ZINC001604615193 1163249101 /nfs/dbraw/zinc/24/91/01/1163249101.db2.gz HLJPAEKUUUBBOX-UHFFFAOYSA-N -1 1 292.335 1.668 20 0 CDADMM C[C@@H]1[C@H](C)[S@@](=O)CCN1C[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001604637268 1163262313 /nfs/dbraw/zinc/26/23/13/1163262313.db2.gz JAADBHGLVWOHCN-LEVNXKMDSA-N -1 1 287.425 1.719 20 0 CDADMM CN(C(=O)c1cncc(F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001604661611 1163271147 /nfs/dbraw/zinc/27/11/47/1163271147.db2.gz DSBDZOJRPSTGTL-UHFFFAOYSA-N -1 1 299.269 1.072 20 0 CDADMM CN(CC1CCCC1)c1cncc(-c2nnn[n-]2)n1 ZINC001604729540 1163299134 /nfs/dbraw/zinc/29/91/34/1163299134.db2.gz WWVGZZFJRFIQGQ-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CN(CC1CCCC1)c1cncc(-c2nn[n-]n2)n1 ZINC001604729540 1163299141 /nfs/dbraw/zinc/29/91/41/1163299141.db2.gz WWVGZZFJRFIQGQ-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CN(CCF)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001604759625 1163314575 /nfs/dbraw/zinc/31/45/75/1163314575.db2.gz SIZXLIKBPOXIEM-UHFFFAOYSA-N -1 1 256.672 1.321 20 0 CDADMM CN(CCF)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001604759625 1163314584 /nfs/dbraw/zinc/31/45/84/1163314584.db2.gz SIZXLIKBPOXIEM-UHFFFAOYSA-N -1 1 256.672 1.321 20 0 CDADMM C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCCCCC(=O)[O-] ZINC001604768083 1163317558 /nfs/dbraw/zinc/31/75/58/1163317558.db2.gz XQRRQHNAKFGZEK-TVQRCGJNSA-N -1 1 280.324 1.874 20 0 CDADMM CN(Cc1cccc(O)c1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001604815457 1163335927 /nfs/dbraw/zinc/33/59/27/1163335927.db2.gz HCCHJSRXLPVILB-UHFFFAOYSA-N -1 1 299.290 1.438 20 0 CDADMM CN(Cc1cccc(O)c1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001604815457 1163335933 /nfs/dbraw/zinc/33/59/33/1163335933.db2.gz HCCHJSRXLPVILB-UHFFFAOYSA-N -1 1 299.290 1.438 20 0 CDADMM COC(C)(C)CCNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001604996130 1163408400 /nfs/dbraw/zinc/40/84/00/1163408400.db2.gz SKYGJQBNAHTXTA-UHFFFAOYSA-N -1 1 277.332 1.192 20 0 CDADMM COC(C)(C)CCNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001604996130 1163408402 /nfs/dbraw/zinc/40/84/02/1163408402.db2.gz SKYGJQBNAHTXTA-UHFFFAOYSA-N -1 1 277.332 1.192 20 0 CDADMM CO[C@H]1CC[C@H](C(=O)OCc2ccc(-c3nnn[n-]3)o2)C1 ZINC001605027343 1163423988 /nfs/dbraw/zinc/42/39/88/1163423988.db2.gz XMSUBLGDJARLFJ-IUCAKERBSA-N -1 1 292.295 1.318 20 0 CDADMM CO[C@H]1CC[C@H](C(=O)OCc2ccc(-c3nn[n-]n3)o2)C1 ZINC001605027343 1163423991 /nfs/dbraw/zinc/42/39/91/1163423991.db2.gz XMSUBLGDJARLFJ-IUCAKERBSA-N -1 1 292.295 1.318 20 0 CDADMM CO[C@H]1CCC[C@@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001605030391 1163425695 /nfs/dbraw/zinc/42/56/95/1163425695.db2.gz LSNGSZYJLRHIQZ-KOLCDFICSA-N -1 1 289.343 1.192 20 0 CDADMM CO[C@H]1CCC[C@@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001605030391 1163425699 /nfs/dbraw/zinc/42/56/99/1163425699.db2.gz LSNGSZYJLRHIQZ-KOLCDFICSA-N -1 1 289.343 1.192 20 0 CDADMM COc1cccc(CNc2ccnc(-c3nnn[n-]3)c2)c1C ZINC001605317790 1163522842 /nfs/dbraw/zinc/52/28/42/1163522842.db2.gz HRLXLWKVWLBYPE-UHFFFAOYSA-N -1 1 296.334 1.613 20 0 CDADMM COc1cccc(CNc2ccnc(-c3nn[n-]n3)c2)c1C ZINC001605317790 1163522846 /nfs/dbraw/zinc/52/28/46/1163522846.db2.gz HRLXLWKVWLBYPE-UHFFFAOYSA-N -1 1 296.334 1.613 20 0 CDADMM COc1cccc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001605322067 1163523259 /nfs/dbraw/zinc/52/32/59/1163523259.db2.gz RQMWWGPXYGUMOC-UHFFFAOYSA-N -1 1 296.290 1.523 20 0 CDADMM COc1cccc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001605322067 1163523266 /nfs/dbraw/zinc/52/32/66/1163523266.db2.gz RQMWWGPXYGUMOC-UHFFFAOYSA-N -1 1 296.290 1.523 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@H]2C(C)C)n1 ZINC001605560833 1163611907 /nfs/dbraw/zinc/61/19/07/1163611907.db2.gz IGPIINRGXACJTD-LBPRGKRZSA-N -1 1 287.371 1.980 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@H]2C(C)C)n1 ZINC001605560833 1163611910 /nfs/dbraw/zinc/61/19/10/1163611910.db2.gz IGPIINRGXACJTD-LBPRGKRZSA-N -1 1 287.371 1.980 20 0 CDADMM CCOC(=O)c1c(C)n[nH]c1CN(CC(=O)[O-])CC(C)C ZINC001605562868 1163611965 /nfs/dbraw/zinc/61/19/65/1163611965.db2.gz BLRXMBWJQXNISX-UHFFFAOYSA-N -1 1 297.355 1.437 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(Nc2cn(C)nc2C(C)C)n1 ZINC001605585095 1163616833 /nfs/dbraw/zinc/61/68/33/1163616833.db2.gz JIOUNDJYFCRMFG-UHFFFAOYSA-N -1 1 299.342 1.566 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(Nc2cn(C)nc2C(C)C)n1 ZINC001605585095 1163616838 /nfs/dbraw/zinc/61/68/38/1163616838.db2.gz JIOUNDJYFCRMFG-UHFFFAOYSA-N -1 1 299.342 1.566 20 0 CDADMM CCO/C=C\C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001605618348 1163625154 /nfs/dbraw/zinc/62/51/54/1163625154.db2.gz KDKTVLOVWASDMY-SREVYHEPSA-N -1 1 275.264 1.750 20 0 CDADMM Cc1cc(CNc2cncc(-c3nnn[n-]3)n2)ccc1F ZINC001605661775 1163638735 /nfs/dbraw/zinc/63/87/35/1163638735.db2.gz LDDYVPHRTBXQFT-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1cc(CNc2cncc(-c3nn[n-]n3)n2)ccc1F ZINC001605661775 1163638739 /nfs/dbraw/zinc/63/87/39/1163638739.db2.gz LDDYVPHRTBXQFT-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1ocnc1CNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001605739981 1163658304 /nfs/dbraw/zinc/65/83/04/1163658304.db2.gz QFZRKHRLBLENHN-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1ocnc1CNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001605739981 1163658311 /nfs/dbraw/zinc/65/83/11/1163658311.db2.gz QFZRKHRLBLENHN-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM CCc1nnc(COC(=O)CCCCC(=O)[O-])[nH]1 ZINC001605852824 1163690154 /nfs/dbraw/zinc/69/01/54/1163690154.db2.gz IQTXGIBYJJJWRF-UHFFFAOYSA-N -1 1 255.274 1.055 20 0 CDADMM Cc1ccc(CSc2ncncc2-c2nnn[n-]2)o1 ZINC001605860074 1163694511 /nfs/dbraw/zinc/69/45/11/1163694511.db2.gz ZNSJJHPPZUBXMR-UHFFFAOYSA-N -1 1 274.309 1.850 20 0 CDADMM Cc1ccc(CSc2ncncc2-c2nn[n-]n2)o1 ZINC001605860074 1163694514 /nfs/dbraw/zinc/69/45/14/1163694514.db2.gz ZNSJJHPPZUBXMR-UHFFFAOYSA-N -1 1 274.309 1.850 20 0 CDADMM Cc1ccc(F)c(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)c1 ZINC001605863072 1163695618 /nfs/dbraw/zinc/69/56/18/1163695618.db2.gz STOVOZFOGVVLNL-UHFFFAOYSA-N -1 1 287.258 1.290 20 0 CDADMM Cc1ccc(N2CC[C@H](C(F)F)C2)c(-c2nnn[n-]2)n1 ZINC001605864493 1163695694 /nfs/dbraw/zinc/69/56/94/1163695694.db2.gz GHKWHGKVPNRWSM-QMMMGPOBSA-N -1 1 280.282 1.662 20 0 CDADMM Cc1ccc(N2CC[C@H](C(F)F)C2)c(-c2nn[n-]n2)n1 ZINC001605864493 1163695696 /nfs/dbraw/zinc/69/56/96/1163695696.db2.gz GHKWHGKVPNRWSM-QMMMGPOBSA-N -1 1 280.282 1.662 20 0 CDADMM Cc1ccc(N(C)C[C@H]2CCCO2)c(-c2nnn[n-]2)n1 ZINC001605865931 1163698099 /nfs/dbraw/zinc/69/80/99/1163698099.db2.gz ALWJQLCUARRLJS-SNVBAGLBSA-N -1 1 274.328 1.185 20 0 CDADMM Cc1ccc(N(C)C[C@H]2CCCO2)c(-c2nn[n-]n2)n1 ZINC001605865931 1163698102 /nfs/dbraw/zinc/69/81/02/1163698102.db2.gz ALWJQLCUARRLJS-SNVBAGLBSA-N -1 1 274.328 1.185 20 0 CDADMM Cc1cccc(CCNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001605913791 1163713246 /nfs/dbraw/zinc/71/32/46/1163713246.db2.gz ZLMHGLALUKVYST-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1cccc(CCNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001605913791 1163713254 /nfs/dbraw/zinc/71/32/54/1163713254.db2.gz ZLMHGLALUKVYST-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1cccc(O)c1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001605919552 1163714528 /nfs/dbraw/zinc/71/45/28/1163714528.db2.gz GDJKVRVDTOMOCL-UHFFFAOYSA-N -1 1 296.290 1.528 20 0 CDADMM Cc1cccc(O)c1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001605919552 1163714529 /nfs/dbraw/zinc/71/45/29/1163714529.db2.gz GDJKVRVDTOMOCL-UHFFFAOYSA-N -1 1 296.290 1.528 20 0 CDADMM Cc1nc(NC[C@H]2CCCCS2)cc(-c2nnn[n-]2)n1 ZINC001606069553 1163762379 /nfs/dbraw/zinc/76/23/79/1163762379.db2.gz LQWYNSZADHAGMG-SECBINFHSA-N -1 1 291.384 1.663 20 0 CDADMM Cc1nc(NC[C@H]2CCCCS2)cc(-c2nn[n-]n2)n1 ZINC001606069553 1163762382 /nfs/dbraw/zinc/76/23/82/1163762382.db2.gz LQWYNSZADHAGMG-SECBINFHSA-N -1 1 291.384 1.663 20 0 CDADMM Cc1nc(NCC2CC=CC2)cc(-c2nnn[n-]2)n1 ZINC001606069639 1163763148 /nfs/dbraw/zinc/76/31/48/1163763148.db2.gz ODEYDPDHPYDKMX-UHFFFAOYSA-N -1 1 257.301 1.343 20 0 CDADMM Cc1nc(NCC2CC=CC2)cc(-c2nn[n-]n2)n1 ZINC001606069639 1163763154 /nfs/dbraw/zinc/76/31/54/1163763154.db2.gz ODEYDPDHPYDKMX-UHFFFAOYSA-N -1 1 257.301 1.343 20 0 CDADMM Cc1nc(NCCCC(C)(F)F)cc(-c2nnn[n-]2)n1 ZINC001606070968 1163763480 /nfs/dbraw/zinc/76/34/80/1163763480.db2.gz BTJSUNZXYQBIDG-UHFFFAOYSA-N -1 1 283.286 1.812 20 0 CDADMM Cc1nc(NCCCC(C)(F)F)cc(-c2nn[n-]n2)n1 ZINC001606070968 1163763485 /nfs/dbraw/zinc/76/34/85/1163763485.db2.gz BTJSUNZXYQBIDG-UHFFFAOYSA-N -1 1 283.286 1.812 20 0 CDADMM Cc1nc(Sc2cccc(O)c2)cc(-c2nnn[n-]2)n1 ZINC001606079046 1163766336 /nfs/dbraw/zinc/76/63/36/1163766336.db2.gz IFWCWPJXCRAKQE-UHFFFAOYSA-N -1 1 286.320 1.822 20 0 CDADMM Cc1nc(Sc2cccc(O)c2)cc(-c2nn[n-]n2)n1 ZINC001606079046 1163766341 /nfs/dbraw/zinc/76/63/41/1163766341.db2.gz IFWCWPJXCRAKQE-UHFFFAOYSA-N -1 1 286.320 1.822 20 0 CDADMM Cc1nc(Nc2cc(C3CC3)n(C)n2)cc(-c2nnn[n-]2)n1 ZINC001606079906 1163767035 /nfs/dbraw/zinc/76/70/35/1163767035.db2.gz PWUBTSYCSCIIEL-UHFFFAOYSA-N -1 1 297.326 1.320 20 0 CDADMM Cc1nc(Nc2cc(C3CC3)n(C)n2)cc(-c2nn[n-]n2)n1 ZINC001606079906 1163767039 /nfs/dbraw/zinc/76/70/39/1163767039.db2.gz PWUBTSYCSCIIEL-UHFFFAOYSA-N -1 1 297.326 1.320 20 0 CDADMM Cc1ncc(COc2cccnc2-c2nnn[n-]2)o1 ZINC001606089199 1163768073 /nfs/dbraw/zinc/76/80/73/1163768073.db2.gz HKYGWTJPEICTFD-UHFFFAOYSA-N -1 1 258.241 1.137 20 0 CDADMM Cc1ncc(COc2cccnc2-c2nn[n-]n2)o1 ZINC001606089199 1163768079 /nfs/dbraw/zinc/76/80/79/1163768079.db2.gz HKYGWTJPEICTFD-UHFFFAOYSA-N -1 1 258.241 1.137 20 0 CDADMM Cc1nsc(N2CC3(CC(F)C3)C2)c1-c1nn[n-]n1 ZINC001606143287 1163788028 /nfs/dbraw/zinc/78/80/28/1163788028.db2.gz QXTIYJRBKZZEKO-UHFFFAOYSA-N -1 1 280.332 1.570 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NOCC(C)C ZINC001606168273 1163797047 /nfs/dbraw/zinc/79/70/47/1163797047.db2.gz DTWOSJKPPAKEJE-UHFFFAOYSA-N -1 1 265.273 1.086 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NOCC(C)C ZINC001606168273 1163797051 /nfs/dbraw/zinc/79/70/51/1163797051.db2.gz DTWOSJKPPAKEJE-UHFFFAOYSA-N -1 1 265.273 1.086 20 0 CDADMM F[C@@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001606299986 1163846746 /nfs/dbraw/zinc/84/67/46/1163846746.db2.gz OYBMKQHIQBOAEN-RXMQYKEDSA-N -1 1 288.739 1.915 20 0 CDADMM F[C@@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001606299986 1163846754 /nfs/dbraw/zinc/84/67/54/1163846754.db2.gz OYBMKQHIQBOAEN-RXMQYKEDSA-N -1 1 288.739 1.915 20 0 CDADMM O=C(N[C@@H]1CCCC12CC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001606667512 1163954430 /nfs/dbraw/zinc/95/44/30/1163954430.db2.gz PTJPDAPOUPLALZ-LLVKDONJSA-N -1 1 284.323 1.324 20 0 CDADMM O=C(N[C@@H]1CCCC12CC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001606667512 1163954439 /nfs/dbraw/zinc/95/44/39/1163954439.db2.gz PTJPDAPOUPLALZ-LLVKDONJSA-N -1 1 284.323 1.324 20 0 CDADMM Cn1cnc(CNC(=O)c2ccc3ccc(O)cc3c2[O-])c1 ZINC001606879344 1164022706 /nfs/dbraw/zinc/02/27/06/1164022706.db2.gz BBXZLTTXQYDEJA-UHFFFAOYSA-N -1 1 297.314 1.915 20 0 CDADMM COCCO[C@H]1CCN(Cc2cc(C(=O)[O-])c(C)[nH]2)C1 ZINC001606901147 1164026305 /nfs/dbraw/zinc/02/63/05/1164026305.db2.gz IDIDOMJFORQGRX-LBPRGKRZSA-N -1 1 282.340 1.259 20 0 CDADMM O=C(Nc1cc[nH]n1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606902161 1164027034 /nfs/dbraw/zinc/02/70/34/1164027034.db2.gz GXEVUUFWNVUUAE-UHFFFAOYSA-N -1 1 291.221 1.120 20 0 CDADMM O=C(Nc1cc[nH]n1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606902161 1164027037 /nfs/dbraw/zinc/02/70/37/1164027037.db2.gz GXEVUUFWNVUUAE-UHFFFAOYSA-N -1 1 291.221 1.120 20 0 CDADMM O=C(OCCc1cncs1)c1ccc(-c2nn[n-]n2)o1 ZINC001606971862 1164042972 /nfs/dbraw/zinc/04/29/72/1164042972.db2.gz GOQYQUXHPLDMHO-UHFFFAOYSA-N -1 1 291.292 1.316 20 0 CDADMM O=C(Oc1cc(F)cc(F)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001606988406 1164052234 /nfs/dbraw/zinc/05/22/34/1164052234.db2.gz QEBZTRADOVGPKG-UHFFFAOYSA-N -1 1 292.201 1.957 20 0 CDADMM O=Cc1ccc(Oc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001607056848 1164068824 /nfs/dbraw/zinc/06/88/24/1164068824.db2.gz SWGRQKGNRIKRLN-UHFFFAOYSA-N -1 1 268.236 1.262 20 0 CDADMM Oc1cccc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)c1 ZINC001607112299 1164091325 /nfs/dbraw/zinc/09/13/25/1164091325.db2.gz ZPOGDFNZUGRXTQ-UHFFFAOYSA-N -1 1 297.322 1.785 20 0 CDADMM Oc1cccc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)c1 ZINC001607112299 1164091332 /nfs/dbraw/zinc/09/13/32/1164091332.db2.gz ZPOGDFNZUGRXTQ-UHFFFAOYSA-N -1 1 297.322 1.785 20 0 CDADMM c1cc(N2CCOC[C@@H]2C2CCC2)cc(-c2nnn[n-]2)n1 ZINC001607119811 1164101504 /nfs/dbraw/zinc/10/15/04/1164101504.db2.gz MEFZNOHSXVHNDY-CYBMUJFWSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(N2CCOC[C@@H]2C2CCC2)cc(-c2nn[n-]n2)n1 ZINC001607119811 1164101507 /nfs/dbraw/zinc/10/15/07/1164101507.db2.gz MEFZNOHSXVHNDY-CYBMUJFWSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(N(CC2CC2)CC2CCC2)nnc1-c1nnn[n-]1 ZINC001607119905 1164103278 /nfs/dbraw/zinc/10/32/78/1164103278.db2.gz LWHLFAIICAQFBY-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM c1cc(N(CC2CC2)CC2CCC2)nnc1-c1nn[n-]n1 ZINC001607119905 1164103280 /nfs/dbraw/zinc/10/32/80/1164103280.db2.gz LWHLFAIICAQFBY-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM c1cc(CC2CN(c3cc(-c4nnn[n-]4)ncn3)C2)cs1 ZINC001607136583 1164115933 /nfs/dbraw/zinc/11/59/33/1164115933.db2.gz KTDQREMWMXJMGQ-UHFFFAOYSA-N -1 1 299.363 1.397 20 0 CDADMM c1cc(CC2CN(c3cc(-c4nn[n-]n4)ncn3)C2)cs1 ZINC001607136583 1164115939 /nfs/dbraw/zinc/11/59/39/1164115939.db2.gz KTDQREMWMXJMGQ-UHFFFAOYSA-N -1 1 299.363 1.397 20 0 CDADMM COc1cc(CN[C@H](C(=O)[O-])c2cccc(O)c2)ccn1 ZINC001607162738 1164125095 /nfs/dbraw/zinc/12/50/95/1164125095.db2.gz CLUVWHODUVZNRY-AWEZNQCLSA-N -1 1 288.303 1.711 20 0 CDADMM C[C@H](C(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)N(C)C ZINC001607449030 1164185622 /nfs/dbraw/zinc/18/56/22/1164185622.db2.gz FJCQWMNTUBQUTR-HLTSFMKQSA-N -1 1 296.289 1.048 20 0 CDADMM C[C@H](C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])N(C)C ZINC001607450672 1164185863 /nfs/dbraw/zinc/18/58/63/1164185863.db2.gz LTPXDSNIVMFSRL-DGCLKSJQSA-N -1 1 292.379 1.905 20 0 CDADMM C[C@H]1CN(Cc2nnc(C3CCC3)n2C)C[C@]1(C)C(=O)[O-] ZINC001607478612 1164198656 /nfs/dbraw/zinc/19/86/56/1164198656.db2.gz SJMIOCRYOJRSDE-BONVTDFDSA-N -1 1 292.383 1.625 20 0 CDADMM Cc1[nH]c(CNCc2cccc(N(C)C)n2)cc1C(=O)[O-] ZINC001607498000 1164209174 /nfs/dbraw/zinc/20/91/74/1164209174.db2.gz LAVDXPXPLIGTGU-UHFFFAOYSA-N -1 1 288.351 1.772 20 0 CDADMM Cc1cc(CCC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)n[nH]1 ZINC001607639150 1164249124 /nfs/dbraw/zinc/24/91/24/1164249124.db2.gz XPJJRQPUDABXMU-GFCCVEGCSA-N -1 1 291.351 1.364 20 0 CDADMM Cc1ccncc1CN(C)C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001607897777 1164325810 /nfs/dbraw/zinc/32/58/10/1164325810.db2.gz BYBSFHUXGFUFAC-QWRGUYRKSA-N -1 1 270.279 1.788 20 0 CDADMM Cc1nn(C)cc1CN[C@](C)(CC(=O)[O-])c1ccccn1 ZINC001608003108 1164371787 /nfs/dbraw/zinc/37/17/87/1164371787.db2.gz GVAYYXHWUBPSFY-OAHLLOKOSA-N -1 1 288.351 1.603 20 0 CDADMM Cc1sc(C(=O)[O-])cc1CN1CC[C@](O)(C(F)F)C1 ZINC001608060749 1164397333 /nfs/dbraw/zinc/39/73/33/1164397333.db2.gz GRNQORPIJQTHFD-GFCCVEGCSA-N -1 1 291.319 1.957 20 0 CDADMM Cn1cc(-c2ccc(CN[C@H](CF)C(=O)[O-])cc2)cn1 ZINC001608092113 1164406201 /nfs/dbraw/zinc/40/62/01/1164406201.db2.gz GXYOGZRPLGJWKB-CYBMUJFWSA-N -1 1 277.299 1.599 20 0 CDADMM Cn1cncc1C[N@H+]1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001608137063 1164421686 /nfs/dbraw/zinc/42/16/86/1164421686.db2.gz QEOGQBNQFPDLAC-HNNXBMFYSA-N -1 1 293.367 1.002 20 0 CDADMM NCc1cc(C(=O)Nc2nc(CC(=O)[O-])cs2)co1 ZINC001608257362 1164471989 /nfs/dbraw/zinc/47/19/89/1164471989.db2.gz LICUNMVVJMSZFD-UHFFFAOYSA-N -1 1 281.293 1.074 20 0 CDADMM NCc1cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])co1 ZINC001608257950 1164472600 /nfs/dbraw/zinc/47/26/00/1164472600.db2.gz REYPSGRTANATBU-XXILOJSOSA-N -1 1 278.308 1.064 20 0 CDADMM C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1C(=O)c1ccc([O-])c(F)c1 ZINC000863947444 1164496002 /nfs/dbraw/zinc/49/60/02/1164496002.db2.gz LFAOLMFUBMGRGQ-OPRDCNLKSA-N -1 1 294.326 1.611 20 0 CDADMM O=C([N-]CCc1csc(-c2cc[nH]n2)n1)C(F)(F)F ZINC000864369665 1164532201 /nfs/dbraw/zinc/53/22/01/1164532201.db2.gz YOJAXFDITVLXFM-UHFFFAOYSA-N -1 1 290.270 1.754 20 0 CDADMM O=C([O-])CCS(=O)(=O)Nc1cnoc1-c1ccccc1 ZINC001608732960 1164623379 /nfs/dbraw/zinc/62/33/79/1164623379.db2.gz SVQIKVHAMOTSEL-UHFFFAOYSA-N -1 1 296.304 1.558 20 0 CDADMM O=C([O-])Cn1cc(CNCCSc2ccccc2)nn1 ZINC001608797683 1164640645 /nfs/dbraw/zinc/64/06/45/1164640645.db2.gz SVIBZRMTQVNSAA-UHFFFAOYSA-N -1 1 292.364 1.245 20 0 CDADMM O=C([O-])c1ccc(C(=O)OCc2ccc3[nH]nnc3c2)[nH]1 ZINC001608877180 1164669907 /nfs/dbraw/zinc/66/99/07/1164669907.db2.gz COSHEEAOENRRIJ-UHFFFAOYSA-N -1 1 286.247 1.341 20 0 CDADMM O=C([O-])c1ccc(C(=O)OCc2ccc3nn[nH]c3c2)[nH]1 ZINC001608877180 1164669913 /nfs/dbraw/zinc/66/99/13/1164669913.db2.gz COSHEEAOENRRIJ-UHFFFAOYSA-N -1 1 286.247 1.341 20 0 CDADMM O=C([O-])c1ccoc1CN1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC001608955261 1164695777 /nfs/dbraw/zinc/69/57/77/1164695777.db2.gz PIXYEXXEZNUHBP-OIBJUYFYSA-N -1 1 293.241 1.723 20 0 CDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)c1nccs1 ZINC001609113992 1164775498 /nfs/dbraw/zinc/77/54/98/1164775498.db2.gz QBYOMMXVSQGHBX-SSDOTTSWSA-N -1 1 288.340 1.329 20 0 CDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)c1nccs1 ZINC001609113992 1164775507 /nfs/dbraw/zinc/77/55/07/1164775507.db2.gz QBYOMMXVSQGHBX-SSDOTTSWSA-N -1 1 288.340 1.329 20 0 CDADMM C[C@@H](Cn1cccc(-c2nn[n-]n2)c1=O)c1ccccc1 ZINC001609116211 1164779091 /nfs/dbraw/zinc/77/90/91/1164779091.db2.gz CTENCRJRUWMGAF-NSHDSACASA-N -1 1 281.319 1.832 20 0 CDADMM C[C@@H]1C[C@@H]1c1ccc(CNc2cncc(-c3nnn[n-]3)n2)o1 ZINC001609159347 1164806894 /nfs/dbraw/zinc/80/68/94/1164806894.db2.gz LNSUGOGZLCHUOA-SCZZXKLOSA-N -1 1 297.322 1.985 20 0 CDADMM C[C@@H]1C[C@@H]1c1ccc(CNc2cncc(-c3nn[n-]n3)n2)o1 ZINC001609159347 1164806900 /nfs/dbraw/zinc/80/69/00/1164806900.db2.gz LNSUGOGZLCHUOA-SCZZXKLOSA-N -1 1 297.322 1.985 20 0 CDADMM C[C@H]1CCC[C@@H](COc2cnc(-c3nn[n-]n3)nc2)C1 ZINC001609162847 1164807890 /nfs/dbraw/zinc/80/78/90/1164807890.db2.gz KZANFMGDCOKJCS-VHSXEESVSA-N -1 1 274.328 1.862 20 0 CDADMM C[C@@H]1CCCCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609165317 1164810990 /nfs/dbraw/zinc/81/09/90/1164810990.db2.gz JWCYGTDEPWCXLP-SECBINFHSA-N -1 1 272.312 1.276 20 0 CDADMM C[C@@H]1CCCCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609165317 1164810997 /nfs/dbraw/zinc/81/09/97/1164810997.db2.gz JWCYGTDEPWCXLP-SECBINFHSA-N -1 1 272.312 1.276 20 0 CDADMM CCC(O)(CC)CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609195666 1164835447 /nfs/dbraw/zinc/83/54/47/1164835447.db2.gz XBPZYXHKZDVWFX-UHFFFAOYSA-N -1 1 295.368 1.209 20 0 CDADMM CC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C(F)F ZINC001609194724 1164836937 /nfs/dbraw/zinc/83/69/37/1164836937.db2.gz LXMNPLPKAOQNQR-YFKPBYRVSA-N -1 1 255.232 1.112 20 0 CDADMM CC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C(F)F ZINC001609194724 1164836940 /nfs/dbraw/zinc/83/69/40/1164836940.db2.gz LXMNPLPKAOQNQR-YFKPBYRVSA-N -1 1 255.232 1.112 20 0 CDADMM CC[C@@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001609199724 1164838839 /nfs/dbraw/zinc/83/88/39/1164838839.db2.gz DIXSVEMPPLBIHZ-NXEZZACHSA-N -1 1 273.344 1.895 20 0 CDADMM CC[C@@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001609199724 1164838846 /nfs/dbraw/zinc/83/88/46/1164838846.db2.gz DIXSVEMPPLBIHZ-NXEZZACHSA-N -1 1 273.344 1.895 20 0 CDADMM CC[C@@H]1CCC[C@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001609199623 1164839151 /nfs/dbraw/zinc/83/91/51/1164839151.db2.gz AVVWFDRLYAORLE-RKDXNWHRSA-N -1 1 259.317 1.647 20 0 CDADMM CC[C@@H]1CCC[C@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001609199623 1164839154 /nfs/dbraw/zinc/83/91/54/1164839154.db2.gz AVVWFDRLYAORLE-RKDXNWHRSA-N -1 1 259.317 1.647 20 0 CDADMM CCOC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)C(C)C ZINC001609240060 1164860293 /nfs/dbraw/zinc/86/02/93/1164860293.db2.gz HZUMDHBAADOHSW-SECBINFHSA-N -1 1 293.327 1.251 20 0 CDADMM CCOC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)C(C)C ZINC001609240060 1164860298 /nfs/dbraw/zinc/86/02/98/1164860298.db2.gz HZUMDHBAADOHSW-SECBINFHSA-N -1 1 293.327 1.251 20 0 CDADMM CCc1ccccc1Cn1cnc(-c2nn[n-]n2)n1 ZINC001609253493 1164867079 /nfs/dbraw/zinc/86/70/79/1164867079.db2.gz RIWGBXJMPDBKFV-UHFFFAOYSA-N -1 1 255.285 1.069 20 0 CDADMM COc1cccc([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001609361184 1164911685 /nfs/dbraw/zinc/91/16/85/1164911685.db2.gz LCVOLEICHDAZKM-VIFPVBQESA-N -1 1 297.322 1.838 20 0 CDADMM COc1cccc([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001609361184 1164911692 /nfs/dbraw/zinc/91/16/92/1164911692.db2.gz LCVOLEICHDAZKM-VIFPVBQESA-N -1 1 297.322 1.838 20 0 CDADMM Cc1cc(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)oc1C ZINC001609395388 1164924843 /nfs/dbraw/zinc/92/48/43/1164924843.db2.gz CLVNNXSRZZBRQP-UHFFFAOYSA-N -1 1 287.283 1.360 20 0 CDADMM Cc1ccc(N[C@@H](CCO)C(C)C)nc1-c1nnn[n-]1 ZINC001609426027 1164943885 /nfs/dbraw/zinc/94/38/85/1164943885.db2.gz AOBVMHHSRSRVNT-JTQLQIEISA-N -1 1 276.344 1.389 20 0 CDADMM Cc1ccc(N[C@@H](CCO)C(C)C)nc1-c1nn[n-]n1 ZINC001609426027 1164943894 /nfs/dbraw/zinc/94/38/94/1164943894.db2.gz AOBVMHHSRSRVNT-JTQLQIEISA-N -1 1 276.344 1.389 20 0 CDADMM Cc1cnc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)s1 ZINC001609440892 1164947960 /nfs/dbraw/zinc/94/79/60/1164947960.db2.gz PFHFEGPPRXDEFF-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1cnc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)s1 ZINC001609440892 1164947965 /nfs/dbraw/zinc/94/79/65/1164947965.db2.gz PFHFEGPPRXDEFF-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Clc1nc(N[C@@H]2CCCOC2)sc1-c1nnn[n-]1 ZINC001609474480 1164967527 /nfs/dbraw/zinc/96/75/27/1164967527.db2.gz BMFNIOIHWRNWHC-RXMQYKEDSA-N -1 1 286.748 1.568 20 0 CDADMM Clc1nc(N[C@@H]2CCCOC2)sc1-c1nn[n-]n1 ZINC001609474480 1164967532 /nfs/dbraw/zinc/96/75/32/1164967532.db2.gz BMFNIOIHWRNWHC-RXMQYKEDSA-N -1 1 286.748 1.568 20 0 CDADMM Fc1cccc(CCNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001609491612 1164974747 /nfs/dbraw/zinc/97/47/47/1164974747.db2.gz UWYSBBLAAIRRDA-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM Fc1cccc(CCNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001609491612 1164974751 /nfs/dbraw/zinc/97/47/51/1164974751.db2.gz UWYSBBLAAIRRDA-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM Fc1ccc(Cl)c(Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC001609490843 1164975309 /nfs/dbraw/zinc/97/53/09/1164975309.db2.gz COYIFDFXZFNCIG-UHFFFAOYSA-N -1 1 279.666 1.299 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)NC(C1CC1)C1CC1 ZINC001609566960 1164989064 /nfs/dbraw/zinc/98/90/64/1164989064.db2.gz MMPHHXCQXDTXSN-UHFFFAOYSA-N -1 1 299.338 1.572 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)NC(C1CC1)C1CC1 ZINC001609566960 1164989071 /nfs/dbraw/zinc/98/90/71/1164989071.db2.gz MMPHHXCQXDTXSN-UHFFFAOYSA-N -1 1 299.338 1.572 20 0 CDADMM C[C@@H]1CN([C@H](C(=O)[O-])c2ccsc2)CCN1C ZINC001609869939 1165122129 /nfs/dbraw/zinc/12/21/29/1165122129.db2.gz ZTVZOVUAVHFITB-KOLCDFICSA-N -1 1 254.355 1.510 20 0 CDADMM CC[C@@](NC(=O)c1n[nH]nc1C)(C(=O)[O-])c1ccccc1 ZINC001609934932 1165151378 /nfs/dbraw/zinc/15/13/78/1165151378.db2.gz YWMDKWOTTZZTGC-AWEZNQCLSA-N -1 1 288.307 1.233 20 0 CDADMM Cc1cc(C(=O)CN2CCC[C@@H]2CC(=O)[O-])c(C)[nH]1 ZINC001610435251 1165315451 /nfs/dbraw/zinc/31/54/51/1165315451.db2.gz ZAGSCXARUOUNCO-LLVKDONJSA-N -1 1 264.325 1.753 20 0 CDADMM O=C([O-])c1cccc(CN2CCOCC3(CCC3)C2)n1 ZINC001610845764 1165460528 /nfs/dbraw/zinc/46/05/28/1165460528.db2.gz DLFAZLBTTGISRU-UHFFFAOYSA-N -1 1 276.336 1.782 20 0 CDADMM O=C([O-])c1ccoc1CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC001610855182 1165464576 /nfs/dbraw/zinc/46/45/76/1165464576.db2.gz LRCKPUQJXVQPDQ-ZDUSSCGKSA-N -1 1 298.302 1.975 20 0 CDADMM Cc1nc(Cl)ccc1C(=O)Nc1c[n-][nH]c1=O ZINC001611380568 1165492489 /nfs/dbraw/zinc/49/24/89/1165492489.db2.gz WEWWSYJAWVUDSV-UHFFFAOYSA-N -1 1 252.661 1.724 20 0 CDADMM C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(O)c(F)c1 ZINC000874835278 1165680169 /nfs/dbraw/zinc/68/01/69/1165680169.db2.gz YEQMBKVRYUNAGC-STQMWFEESA-N -1 1 278.327 1.840 20 0 CDADMM Cc1cnc(C[N-]S(=O)(=O)c2c(F)cccc2F)cn1 ZINC000033422906 1165728107 /nfs/dbraw/zinc/72/81/07/1165728107.db2.gz LWIZVKHHWOVDLB-UHFFFAOYSA-N -1 1 299.302 1.542 20 0 CDADMM CCC(CC)(NC(=O)[C@@H](F)C(C)C)c1nn[n-]n1 ZINC001623441801 1165773144 /nfs/dbraw/zinc/77/31/44/1165773144.db2.gz TXFNGABDBPIOAJ-QMMMGPOBSA-N -1 1 257.313 1.325 20 0 CDADMM CC[C@H](C)OCC(=O)NC(CC)(CC)c1nn[n-]n1 ZINC001626908329 1165965793 /nfs/dbraw/zinc/96/57/93/1165965793.db2.gz ANDOEZLYFQYSOF-VIFPVBQESA-N -1 1 269.349 1.146 20 0 CDADMM Cc1nc[nH]c1CNC(=O)c1ncc2ccccc2c1[O-] ZINC001634960241 1166549762 /nfs/dbraw/zinc/54/97/62/1166549762.db2.gz XUOVLEVWWGEPRM-UHFFFAOYSA-N -1 1 282.303 1.902 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H](F)Cc1ccccc1 ZINC001637952134 1166806442 /nfs/dbraw/zinc/80/64/42/1166806442.db2.gz IBKDCXIYMVCYNX-SNVBAGLBSA-N -1 1 263.272 1.943 20 0 CDADMM C[C@H]1COCC[C@H]1NC(=O)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155273512 1167113268 /nfs/dbraw/zinc/11/32/68/1167113268.db2.gz QCFZFKAZALUKSB-GZMMTYOYSA-N -1 1 275.308 1.423 20 0 CDADMM COc1cc(C(=O)Nc2c(C)[n-][nH]c2=O)sn1 ZINC001641716736 1167130344 /nfs/dbraw/zinc/13/03/44/1167130344.db2.gz ZVAHKZZKZVOUJQ-UHFFFAOYSA-N -1 1 254.271 1.141 20 0 CDADMM O=C([N-]c1noc2nccnc12)c1cc2n[nH]cc2s1 ZINC001155546350 1167224756 /nfs/dbraw/zinc/22/47/56/1167224756.db2.gz WDKXLMCOVUAKOP-UHFFFAOYSA-N -1 1 286.276 1.808 20 0 CDADMM CN(Cc1cnc[nH]1)C(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC001645991864 1167600458 /nfs/dbraw/zinc/60/04/58/1167600458.db2.gz KESGZSVRIOKTNE-UHFFFAOYSA-N -1 1 273.296 1.055 20 0 CDADMM O=C(NCc1ncc[nH]1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001563130505 1168110390 /nfs/dbraw/zinc/11/03/90/1168110390.db2.gz FHFXGVHUYOFLPO-UHFFFAOYSA-N -1 1 298.306 1.623 20 0 CDADMM COc1ccc([C@@H](C)CC(=O)OCc2nn[n-]n2)cc1 ZINC001646881983 1168221377 /nfs/dbraw/zinc/22/13/77/1168221377.db2.gz IALZAOHEOXPIET-VIFPVBQESA-N -1 1 276.296 1.445 20 0 CDADMM C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C(=O)[O-])C2CCCCCC2)C1 ZINC001573646592 1170720098 /nfs/dbraw/zinc/72/00/98/1170720098.db2.gz SGYQHLNPTGICKV-IUODEOHRSA-N -1 1 296.411 1.868 20 0 CDADMM C[C@@H]1CCN(CC(=O)N[C@@H](C(=O)[O-])C2CCCCCC2)C1 ZINC001573646592 1170720101 /nfs/dbraw/zinc/72/01/01/1170720101.db2.gz SGYQHLNPTGICKV-IUODEOHRSA-N -1 1 296.411 1.868 20 0 CDADMM CCn1cc(C(=O)[O-])c(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)n1 ZINC001573846815 1170802562 /nfs/dbraw/zinc/80/25/62/1170802562.db2.gz JMZVCFFSDCYHSY-HTQZYQBOSA-N -1 1 289.295 1.067 20 0 CDADMM Cc1nocc1C[NH2+][C@H](CC(C)C)c1nc(C(=O)[O-])n[n-]1 ZINC001574206616 1170917785 /nfs/dbraw/zinc/91/77/85/1170917785.db2.gz ULNVCZOIWCGSSF-SNVBAGLBSA-N -1 1 293.327 1.676 20 0 CDADMM O=C([O-])C[C@H]1CCN(C(=O)Cc2cnc[nH]2)c2ccccc21 ZINC001574362293 1170958638 /nfs/dbraw/zinc/95/86/38/1170958638.db2.gz QBGQEPXWQIKOMF-LLVKDONJSA-N -1 1 299.330 1.947 20 0 CDADMM O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1Cc1ccc(Cl)nn1 ZINC001574403139 1170973888 /nfs/dbraw/zinc/97/38/88/1170973888.db2.gz JWZFBHUJKBLYQH-NMLBEHRDSA-N -1 1 267.716 1.568 20 0 CDADMM O=C([O-])c1cc(CN[C@H](CO)CC2CCCC2)on1 ZINC001574408658 1170975001 /nfs/dbraw/zinc/97/50/01/1170975001.db2.gz MJXPYIPNHFTKGN-JTQLQIEISA-N -1 1 268.313 1.404 20 0 CDADMM CCc1ccc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)nc1 ZINC001578526561 1171941000 /nfs/dbraw/zinc/94/10/00/1171941000.db2.gz WXQNZRSXMDUYSU-UHFFFAOYSA-N -1 1 298.306 1.978 20 0 CDADMM CCc1ccc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)nc1 ZINC001578526561 1171941005 /nfs/dbraw/zinc/94/10/05/1171941005.db2.gz WXQNZRSXMDUYSU-UHFFFAOYSA-N -1 1 298.306 1.978 20 0 CDADMM CN(Cc1cscn1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001579268570 1172130335 /nfs/dbraw/zinc/13/03/35/1172130335.db2.gz XZOGLSKHROCCNI-UHFFFAOYSA-N -1 1 290.308 1.188 20 0 CDADMM CN(Cc1cscn1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001579268570 1172130342 /nfs/dbraw/zinc/13/03/42/1172130342.db2.gz XZOGLSKHROCCNI-UHFFFAOYSA-N -1 1 290.308 1.188 20 0 CDADMM Cn1ncc(N)c1CCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC001580009409 1172322577 /nfs/dbraw/zinc/32/25/77/1172322577.db2.gz JNQOSWYSQHGVLY-UHFFFAOYSA-N -1 1 294.742 1.933 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1C[C@@H]2C[C@@H]2C1 ZINC001582549414 1172681467 /nfs/dbraw/zinc/68/14/67/1172681467.db2.gz ZGXLXXQBBHGALW-OCAPTIKFSA-N -1 1 290.352 1.090 20 0 CDADMM O=C(NOc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)o1 ZINC001582562192 1172682459 /nfs/dbraw/zinc/68/24/59/1172682459.db2.gz DVJCWDPZGCMZBC-UHFFFAOYSA-N -1 1 289.226 1.323 20 0 CDADMM C=C=CCNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001588466888 1173067610 /nfs/dbraw/zinc/06/76/10/1173067610.db2.gz UKELOSYGUNSAEO-UHFFFAOYSA-N -1 1 255.285 1.287 20 0 CDADMM C=C=CCNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001588466888 1173067615 /nfs/dbraw/zinc/06/76/15/1173067615.db2.gz UKELOSYGUNSAEO-UHFFFAOYSA-N -1 1 255.285 1.287 20 0 CDADMM C[C@@H](C(=O)OCc1cccnc1-c1nnn[n-]1)c1ccco1 ZINC001589029627 1173119426 /nfs/dbraw/zinc/11/94/26/1173119426.db2.gz CWXLLLWXDIFMTE-SECBINFHSA-N -1 1 299.290 1.702 20 0 CDADMM C[C@@H](C(=O)OCc1cccnc1-c1nn[n-]n1)c1ccco1 ZINC001589029627 1173119428 /nfs/dbraw/zinc/11/94/28/1173119428.db2.gz CWXLLLWXDIFMTE-SECBINFHSA-N -1 1 299.290 1.702 20 0 CDADMM CC(C)Cn1cc(Nc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001589670470 1173168349 /nfs/dbraw/zinc/16/83/49/1173168349.db2.gz UWECLVFKXHNIEW-UHFFFAOYSA-N -1 1 285.315 1.253 20 0 CDADMM CC(C)Cn1cc(Nc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001589670470 1173168353 /nfs/dbraw/zinc/16/83/53/1173168353.db2.gz UWECLVFKXHNIEW-UHFFFAOYSA-N -1 1 285.315 1.253 20 0 CDADMM C[C@H](CNC(=O)c1coc(-c2nnn[n-]2)c1)c1ccncc1 ZINC001589868938 1173193696 /nfs/dbraw/zinc/19/36/96/1173193696.db2.gz AQUTWNCIGDWJTH-SECBINFHSA-N -1 1 298.306 1.388 20 0 CDADMM C[C@H](CNC(=O)c1coc(-c2nn[n-]n2)c1)c1ccncc1 ZINC001589868938 1173193699 /nfs/dbraw/zinc/19/36/99/1173193699.db2.gz AQUTWNCIGDWJTH-SECBINFHSA-N -1 1 298.306 1.388 20 0 CDADMM CC(F)(F)CCCNc1cncc(-c2nnn[n-]2)n1 ZINC001589910495 1173199973 /nfs/dbraw/zinc/19/99/73/1173199973.db2.gz MOJLGFGYEPHRLU-UHFFFAOYSA-N -1 1 269.259 1.504 20 0 CDADMM CC(F)(F)CCCNc1cncc(-c2nn[n-]n2)n1 ZINC001589910495 1173199977 /nfs/dbraw/zinc/19/99/77/1173199977.db2.gz MOJLGFGYEPHRLU-UHFFFAOYSA-N -1 1 269.259 1.504 20 0 CDADMM C[C@H](NCc1csc(-c2nn[n-]n2)c1)C(F)F ZINC001589972712 1173217455 /nfs/dbraw/zinc/21/74/55/1173217455.db2.gz PDLBEEDBUIILHQ-YFKPBYRVSA-N -1 1 259.285 1.671 20 0 CDADMM C[C@H](c1cccnc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001590052339 1173239816 /nfs/dbraw/zinc/23/98/16/1173239816.db2.gz YBUFHYVGIUVSFY-SECBINFHSA-N -1 1 282.311 1.249 20 0 CDADMM C[C@H](c1cccnc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001590052339 1173239822 /nfs/dbraw/zinc/23/98/22/1173239822.db2.gz YBUFHYVGIUVSFY-SECBINFHSA-N -1 1 282.311 1.249 20 0 CDADMM C[C@@]1(c2ccccc2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590152622 1173276888 /nfs/dbraw/zinc/27/68/88/1173276888.db2.gz ZADPPEDNMMVJOL-NHYWBVRUSA-N -1 1 293.334 1.221 20 0 CDADMM CC1CC(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001590192480 1173286167 /nfs/dbraw/zinc/28/61/67/1173286167.db2.gz DLQDSIPMFNLMSK-UHFFFAOYSA-N -1 1 285.355 1.992 20 0 CDADMM CC1CC(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001590192480 1173286172 /nfs/dbraw/zinc/28/61/72/1173286172.db2.gz DLQDSIPMFNLMSK-UHFFFAOYSA-N -1 1 285.355 1.992 20 0 CDADMM C[C@H]1C[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001590219632 1173297735 /nfs/dbraw/zinc/29/77/35/1173297735.db2.gz OGRULORQCXKONP-XPUUQOCRSA-N -1 1 264.310 1.627 20 0 CDADMM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590221202 1173300657 /nfs/dbraw/zinc/30/06/57/1173300657.db2.gz DLWUFCCPTRVAFQ-CLYYMRHHSA-N -1 1 298.350 1.665 20 0 CDADMM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590221202 1173300664 /nfs/dbraw/zinc/30/06/64/1173300664.db2.gz DLWUFCCPTRVAFQ-CLYYMRHHSA-N -1 1 298.350 1.665 20 0 CDADMM C[C@@H]1C[C@@H]1c1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)n[nH]1 ZINC001590223067 1173305049 /nfs/dbraw/zinc/30/50/49/1173305049.db2.gz ZBOVDMSVQPEZNJ-RQJHMYQMSA-N -1 1 299.294 1.559 20 0 CDADMM C[C@H]1CCC[C@H](C2CN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001590244989 1173317564 /nfs/dbraw/zinc/31/75/64/1173317564.db2.gz XKGDEGMPNLWFBM-QWRGUYRKSA-N -1 1 299.382 1.919 20 0 CDADMM C[C@H]1CCC[C@H](C2CN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001590244989 1173317572 /nfs/dbraw/zinc/31/75/72/1173317572.db2.gz XKGDEGMPNLWFBM-QWRGUYRKSA-N -1 1 299.382 1.919 20 0 CDADMM C[C@@H]1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001590251649 1173320183 /nfs/dbraw/zinc/32/01/83/1173320183.db2.gz XWBJJXUYYJNURA-BDAKNGLRSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@@H]1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001590251649 1173320176 /nfs/dbraw/zinc/32/01/76/1173320176.db2.gz XWBJJXUYYJNURA-BDAKNGLRSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@@H]1CN(c2ccnc(-c3nnn[n-]3)c2)[C@H](C)[C@@H](C)O1 ZINC001590314483 1173352089 /nfs/dbraw/zinc/35/20/89/1173352089.db2.gz ILRGHYVVDXXXNT-OPRDCNLKSA-N -1 1 274.328 1.264 20 0 CDADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)c2)[C@H](C)[C@@H](C)O1 ZINC001590314483 1173352098 /nfs/dbraw/zinc/35/20/98/1173352098.db2.gz ILRGHYVVDXXXNT-OPRDCNLKSA-N -1 1 274.328 1.264 20 0 CDADMM CC[C@@](C)(CNc1cc(C)cc(-c2nnn[n-]2)n1)OC ZINC001590381072 1173383791 /nfs/dbraw/zinc/38/37/91/1173383791.db2.gz HVUSPTVTZNTXGU-ZDUSSCGKSA-N -1 1 276.344 1.797 20 0 CDADMM CC[C@@](C)(CNc1cc(C)cc(-c2nn[n-]n2)n1)OC ZINC001590381072 1173383794 /nfs/dbraw/zinc/38/37/94/1173383794.db2.gz HVUSPTVTZNTXGU-ZDUSSCGKSA-N -1 1 276.344 1.797 20 0 CDADMM CC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCO1 ZINC001590473552 1173424629 /nfs/dbraw/zinc/42/46/29/1173424629.db2.gz PYJHFVREDYNKAP-WCBMZHEXSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCO1 ZINC001590473552 1173424633 /nfs/dbraw/zinc/42/46/33/1173424633.db2.gz PYJHFVREDYNKAP-WCBMZHEXSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@H](OCCn1cc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001590479024 1173430492 /nfs/dbraw/zinc/43/04/92/1173430492.db2.gz KDXCFWJLHFFHKH-ZDUSSCGKSA-N -1 1 299.338 1.626 20 0 CDADMM CC[C@@H]1C[C@@H](Nc2ccc(C)nc2-c2nnn[n-]2)CCO1 ZINC001590506011 1173438830 /nfs/dbraw/zinc/43/88/30/1173438830.db2.gz SEKHLMLOUWHWQV-WDEREUQCSA-N -1 1 288.355 1.940 20 0 CDADMM CC[C@@H]1C[C@@H](Nc2ccc(C)nc2-c2nn[n-]n2)CCO1 ZINC001590506011 1173438839 /nfs/dbraw/zinc/43/88/39/1173438839.db2.gz SEKHLMLOUWHWQV-WDEREUQCSA-N -1 1 288.355 1.940 20 0 CDADMM CC[C@@H]1COC(C)(C)CN1c1ccnc(-c2nnn[n-]2)c1 ZINC001590524117 1173452211 /nfs/dbraw/zinc/45/22/11/1173452211.db2.gz ONUBWGASIJFEJU-SNVBAGLBSA-N -1 1 288.355 1.656 20 0 CDADMM CC[C@@H]1COC(C)(C)CN1c1ccnc(-c2nn[n-]n2)c1 ZINC001590524117 1173452215 /nfs/dbraw/zinc/45/22/15/1173452215.db2.gz ONUBWGASIJFEJU-SNVBAGLBSA-N -1 1 288.355 1.656 20 0 CDADMM CCC[C@H](O)CCNc1cccc(-c2nnn[n-]2)n1 ZINC001590560892 1173464301 /nfs/dbraw/zinc/46/43/01/1173464301.db2.gz SACOISLYQASHOI-VIFPVBQESA-N -1 1 262.317 1.225 20 0 CDADMM CCC[C@H](O)CCNc1cccc(-c2nn[n-]n2)n1 ZINC001590560892 1173464304 /nfs/dbraw/zinc/46/43/04/1173464304.db2.gz SACOISLYQASHOI-VIFPVBQESA-N -1 1 262.317 1.225 20 0 CDADMM CCO[C@H]1CCCN(c2cc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001590793947 1173509155 /nfs/dbraw/zinc/50/91/55/1173509155.db2.gz KKGOLNPHSCIXLQ-NSHDSACASA-N -1 1 288.355 1.575 20 0 CDADMM CCO[C@H]1CCCN(c2cc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001590793947 1173509162 /nfs/dbraw/zinc/50/91/62/1173509162.db2.gz KKGOLNPHSCIXLQ-NSHDSACASA-N -1 1 288.355 1.575 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)CCC(C)C)n1 ZINC001590904100 1173539645 /nfs/dbraw/zinc/53/96/45/1173539645.db2.gz LBGAPQIXHJRCMN-UHFFFAOYSA-N -1 1 275.360 1.701 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)CCC(C)C)n1 ZINC001590904100 1173539652 /nfs/dbraw/zinc/53/96/52/1173539652.db2.gz LBGAPQIXHJRCMN-UHFFFAOYSA-N -1 1 275.360 1.701 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCCC[C@@H]2C)n1 ZINC001590908098 1173540371 /nfs/dbraw/zinc/54/03/71/1173540371.db2.gz ZEEUNOIQDULYBK-JTQLQIEISA-N -1 1 287.371 1.988 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCCC[C@@H]2C)n1 ZINC001590908098 1173540377 /nfs/dbraw/zinc/54/03/77/1173540377.db2.gz ZEEUNOIQDULYBK-JTQLQIEISA-N -1 1 287.371 1.988 20 0 CDADMM CCn1ncc(NC(=O)c2coc(-c3nnn[n-]3)c2)c1C ZINC001590968162 1173553681 /nfs/dbraw/zinc/55/36/81/1173553681.db2.gz AGIZKJGYWNSSRL-UHFFFAOYSA-N -1 1 287.283 1.237 20 0 CDADMM CCn1ncc(NC(=O)c2coc(-c3nn[n-]n3)c2)c1C ZINC001590968162 1173553685 /nfs/dbraw/zinc/55/36/85/1173553685.db2.gz AGIZKJGYWNSSRL-UHFFFAOYSA-N -1 1 287.283 1.237 20 0 CDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)o1)c1ncccc1F ZINC001590992441 1173557578 /nfs/dbraw/zinc/55/75/78/1173557578.db2.gz MBFNVDDWNFXIJX-UHFFFAOYSA-N -1 1 288.242 1.270 20 0 CDADMM CN(CCC1CCOCC1)c1cccnc1-c1nnn[n-]1 ZINC001591066683 1173571822 /nfs/dbraw/zinc/57/18/22/1173571822.db2.gz DFDCCOYNAHLZSU-UHFFFAOYSA-N -1 1 288.355 1.515 20 0 CDADMM CN(CCC1CCOCC1)c1cccnc1-c1nn[n-]n1 ZINC001591066683 1173571825 /nfs/dbraw/zinc/57/18/25/1173571825.db2.gz DFDCCOYNAHLZSU-UHFFFAOYSA-N -1 1 288.355 1.515 20 0 CDADMM COC1(CNc2cc(-c3nnn[n-]3)ncn2)CCCC1 ZINC001591343145 1173619617 /nfs/dbraw/zinc/61/96/17/1173619617.db2.gz ONZRHSOGAFMJIL-UHFFFAOYSA-N -1 1 275.316 1.028 20 0 CDADMM COC1(CNc2cc(-c3nn[n-]n3)ncn2)CCCC1 ZINC001591343145 1173619620 /nfs/dbraw/zinc/61/96/20/1173619620.db2.gz ONZRHSOGAFMJIL-UHFFFAOYSA-N -1 1 275.316 1.028 20 0 CDADMM COC[C@H]1CCCN(c2cc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001591393399 1173640849 /nfs/dbraw/zinc/64/08/49/1173640849.db2.gz AZQSOIKGVPTJQR-NSHDSACASA-N -1 1 288.355 1.433 20 0 CDADMM COC[C@H]1CCCN(c2cc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001591393399 1173640857 /nfs/dbraw/zinc/64/08/57/1173640857.db2.gz AZQSOIKGVPTJQR-NSHDSACASA-N -1 1 288.355 1.433 20 0 CDADMM COCc1cccc(CNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001591457477 1173654337 /nfs/dbraw/zinc/65/43/37/1173654337.db2.gz JFUQHAJCIDPNNV-UHFFFAOYSA-N -1 1 296.334 1.442 20 0 CDADMM COCc1cccc(CNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001591457477 1173654338 /nfs/dbraw/zinc/65/43/38/1173654338.db2.gz JFUQHAJCIDPNNV-UHFFFAOYSA-N -1 1 296.334 1.442 20 0 CDADMM COc1cc(CNc2ccc(C)c(-c3nnn[n-]3)n2)ccn1 ZINC001591536338 1173665778 /nfs/dbraw/zinc/66/57/78/1173665778.db2.gz ZWIXLBSCBCEQEZ-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1cc(CNc2ccc(C)c(-c3nn[n-]n3)n2)ccn1 ZINC001591536338 1173665783 /nfs/dbraw/zinc/66/57/83/1173665783.db2.gz ZWIXLBSCBCEQEZ-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1ccc(Sc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001591622239 1173675950 /nfs/dbraw/zinc/67/59/50/1173675950.db2.gz RVRRRKGXYWTPKJ-UHFFFAOYSA-N -1 1 286.320 1.817 20 0 CDADMM COc1ccc(Sc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001591622239 1173675953 /nfs/dbraw/zinc/67/59/53/1173675953.db2.gz RVRRRKGXYWTPKJ-UHFFFAOYSA-N -1 1 286.320 1.817 20 0 CDADMM C[C@@H](OC(=O)c1coc(-c2nnn[n-]2)c1)[C@@H]1CC12CC2 ZINC001591732704 1173695094 /nfs/dbraw/zinc/69/50/94/1173695094.db2.gz LFPNDURZGIJSLM-APPZFPTMSA-N -1 1 274.280 1.805 20 0 CDADMM C[C@@H](OC(=O)c1coc(-c2nn[n-]n2)c1)[C@@H]1CC12CC2 ZINC001591732704 1173695100 /nfs/dbraw/zinc/69/51/00/1173695100.db2.gz LFPNDURZGIJSLM-APPZFPTMSA-N -1 1 274.280 1.805 20 0 CDADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@@H]2C(C)C)nn1C ZINC001591798440 1173706596 /nfs/dbraw/zinc/70/65/96/1173706596.db2.gz IYYLYQNCKRFSLY-RKDXNWHRSA-N -1 1 289.343 1.139 20 0 CDADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@@H]2C(C)C)nn1C ZINC001591798440 1173706599 /nfs/dbraw/zinc/70/65/99/1173706599.db2.gz IYYLYQNCKRFSLY-RKDXNWHRSA-N -1 1 289.343 1.139 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](C)[C@@H](F)C2)n1 ZINC001591884962 1173738324 /nfs/dbraw/zinc/73/83/24/1173738324.db2.gz ILHPFKNNLDFZGB-CBAPKCEASA-N -1 1 277.307 1.149 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](C)[C@@H](F)C2)n1 ZINC001591884962 1173738328 /nfs/dbraw/zinc/73/83/28/1173738328.db2.gz ILHPFKNNLDFZGB-CBAPKCEASA-N -1 1 277.307 1.149 20 0 CDADMM Cc1cc(N2CC[C@@H]3COC[C@@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001592005091 1173771167 /nfs/dbraw/zinc/77/11/67/1173771167.db2.gz RLPVUYWXIVOFQU-MNOVXSKESA-N -1 1 286.339 1.043 20 0 CDADMM Cc1cc(N2CC[C@@H]3COC[C@@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001592005091 1173771171 /nfs/dbraw/zinc/77/11/71/1173771171.db2.gz RLPVUYWXIVOFQU-MNOVXSKESA-N -1 1 286.339 1.043 20 0 CDADMM Cc1cc(N[C@H]2C[C@@H](O)C23CCC3)nc(-c2nnn[n-]2)c1 ZINC001592036180 1173778128 /nfs/dbraw/zinc/77/81/28/1173778128.db2.gz GKVRFUYWNUVDIS-WDEREUQCSA-N -1 1 286.339 1.286 20 0 CDADMM Cc1cc(N[C@H]2C[C@@H](O)C23CCC3)nc(-c2nn[n-]n2)c1 ZINC001592036180 1173778130 /nfs/dbraw/zinc/77/81/30/1173778130.db2.gz GKVRFUYWNUVDIS-WDEREUQCSA-N -1 1 286.339 1.286 20 0 CDADMM Cc1ccc(Cn2ccn3ncc(-c4nn[n-]n4)c23)c(C)n1 ZINC001592172110 1173820234 /nfs/dbraw/zinc/82/02/34/1173820234.db2.gz WQHLFOZVEYBGOE-UHFFFAOYSA-N -1 1 294.322 1.376 20 0 CDADMM Cc1ccc(N(C)CC2(C)COC2)c(-c2nnn[n-]2)n1 ZINC001592175276 1173820621 /nfs/dbraw/zinc/82/06/21/1173820621.db2.gz LHDVFELLLUOXSP-UHFFFAOYSA-N -1 1 274.328 1.043 20 0 CDADMM Cc1ccc(N(C)CC2(C)COC2)c(-c2nn[n-]n2)n1 ZINC001592175276 1173820625 /nfs/dbraw/zinc/82/06/25/1173820625.db2.gz LHDVFELLLUOXSP-UHFFFAOYSA-N -1 1 274.328 1.043 20 0 CDADMM Cc1ccc(NCCC[C@H](C)O)nc1-c1nnn[n-]1 ZINC001592186166 1173830545 /nfs/dbraw/zinc/83/05/45/1173830545.db2.gz RUBIDKKTKMLMAU-VIFPVBQESA-N -1 1 262.317 1.143 20 0 CDADMM Cc1ccc(NCCC[C@H](C)O)nc1-c1nn[n-]n1 ZINC001592186166 1173830548 /nfs/dbraw/zinc/83/05/48/1173830548.db2.gz RUBIDKKTKMLMAU-VIFPVBQESA-N -1 1 262.317 1.143 20 0 CDADMM Cc1cccc(CN(C)C(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001592230009 1173835462 /nfs/dbraw/zinc/83/54/62/1173835462.db2.gz IAAAXGSSSPAHHE-UHFFFAOYSA-N -1 1 298.306 1.435 20 0 CDADMM Cc1cccc(CN(C)C(=O)c2coc(-c3nn[n-]n3)c2)n1 ZINC001592230009 1173835465 /nfs/dbraw/zinc/83/54/65/1173835465.db2.gz IAAAXGSSSPAHHE-UHFFFAOYSA-N -1 1 298.306 1.435 20 0 CDADMM Cc1cccnc1N(C)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001592264459 1173838880 /nfs/dbraw/zinc/83/88/80/1173838880.db2.gz YYXIKAZINWTERO-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM Cc1cccnc1N(C)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001592264459 1173838885 /nfs/dbraw/zinc/83/88/85/1173838885.db2.gz YYXIKAZINWTERO-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM Cc1ccnc(NC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001592272593 1173840617 /nfs/dbraw/zinc/84/06/17/1173840617.db2.gz ICEYINRJVCBVHS-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1ccnc(NC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001592272593 1173840620 /nfs/dbraw/zinc/84/06/20/1173840620.db2.gz ICEYINRJVCBVHS-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1ccoc1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001592284014 1173845357 /nfs/dbraw/zinc/84/53/57/1173845357.db2.gz RJIGZJJTDZEJKE-UHFFFAOYSA-N -1 1 257.257 1.170 20 0 CDADMM Cc1ccoc1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001592284014 1173845361 /nfs/dbraw/zinc/84/53/61/1173845361.db2.gz RJIGZJJTDZEJKE-UHFFFAOYSA-N -1 1 257.257 1.170 20 0 CDADMM Cc1ccoc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592280064 1173847349 /nfs/dbraw/zinc/84/73/49/1173847349.db2.gz NFDKWALPKUSCGE-UHFFFAOYSA-N -1 1 289.320 1.760 20 0 CDADMM Cc1coc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1C ZINC001592306164 1173851593 /nfs/dbraw/zinc/85/15/93/1173851593.db2.gz QJEWHJKEXZKOFL-UHFFFAOYSA-N -1 1 273.256 1.052 20 0 CDADMM Cc1coc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1C ZINC001592306164 1173851597 /nfs/dbraw/zinc/85/15/97/1173851597.db2.gz QJEWHJKEXZKOFL-UHFFFAOYSA-N -1 1 273.256 1.052 20 0 CDADMM Cc1[nH]nc(NC(=O)C2(C(F)F)CCC2)c1-c1nn[n-]n1 ZINC001592327194 1173855384 /nfs/dbraw/zinc/85/53/84/1173855384.db2.gz FOEQMYFQDVWTBY-UHFFFAOYSA-N -1 1 297.269 1.272 20 0 CDADMM Cc1[nH]nc(NC(=O)c2ccc(F)s2)c1-c1nn[n-]n1 ZINC001592333004 1173857646 /nfs/dbraw/zinc/85/76/46/1173857646.db2.gz XISCZCCHOVKBNR-UHFFFAOYSA-N -1 1 293.287 1.351 20 0 CDADMM Cc1nc(NC23CCC(CC2)C3)cc(-c2nnn[n-]2)n1 ZINC001592380090 1173872694 /nfs/dbraw/zinc/87/26/94/1173872694.db2.gz BHTAGFWNURYYNS-UHFFFAOYSA-N -1 1 271.328 1.710 20 0 CDADMM Cc1nc(NC23CCC(CC2)C3)cc(-c2nn[n-]n2)n1 ZINC001592380090 1173872700 /nfs/dbraw/zinc/87/27/00/1173872700.db2.gz BHTAGFWNURYYNS-UHFFFAOYSA-N -1 1 271.328 1.710 20 0 CDADMM Cc1nc(NC[C@@H]2CC[C@H]3C[C@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001592388685 1173879439 /nfs/dbraw/zinc/87/94/39/1173879439.db2.gz XTLLCGUIVLWQNZ-OUAUKWLOSA-N -1 1 285.355 1.813 20 0 CDADMM Cc1nc(NC[C@@H]2CC[C@H]3C[C@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001592388685 1173879444 /nfs/dbraw/zinc/87/94/44/1173879444.db2.gz XTLLCGUIVLWQNZ-OUAUKWLOSA-N -1 1 285.355 1.813 20 0 CDADMM Cc1ncc(CN(C)c2cccnc2-c2nnn[n-]2)s1 ZINC001592409828 1173882753 /nfs/dbraw/zinc/88/27/53/1173882753.db2.gz JMBUVDVXTWRVMK-UHFFFAOYSA-N -1 1 287.352 1.663 20 0 CDADMM Cc1ncc(CN(C)c2cccnc2-c2nn[n-]n2)s1 ZINC001592409828 1173882761 /nfs/dbraw/zinc/88/27/61/1173882761.db2.gz JMBUVDVXTWRVMK-UHFFFAOYSA-N -1 1 287.352 1.663 20 0 CDADMM Cc1nonc1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001592467039 1173896912 /nfs/dbraw/zinc/89/69/12/1173896912.db2.gz PDMHRSGJTKQXSL-UHFFFAOYSA-N -1 1 298.719 1.280 20 0 CDADMM Cc1nonc1CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001592467039 1173896915 /nfs/dbraw/zinc/89/69/15/1173896915.db2.gz PDMHRSGJTKQXSL-UHFFFAOYSA-N -1 1 298.719 1.280 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCOC1(C)C ZINC001592501144 1173908649 /nfs/dbraw/zinc/90/86/49/1173908649.db2.gz DETAOFNJHMEBRM-SNVBAGLBSA-N -1 1 291.311 1.065 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCOC1(C)C ZINC001592501144 1173908654 /nfs/dbraw/zinc/90/86/54/1173908654.db2.gz DETAOFNJHMEBRM-SNVBAGLBSA-N -1 1 291.311 1.065 20 0 CDADMM Cc1occc1-c1noc(-c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001592510395 1173908854 /nfs/dbraw/zinc/90/88/54/1173908854.db2.gz GPYQMXJLZDZXHI-UHFFFAOYSA-N -1 1 295.262 1.880 20 0 CDADMM Cc1occc1-c1noc(-c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001592510395 1173908859 /nfs/dbraw/zinc/90/88/59/1173908859.db2.gz GPYQMXJLZDZXHI-UHFFFAOYSA-N -1 1 295.262 1.880 20 0 CDADMM ClC(Cl)(Cl)CCn1cnc(-c2nn[n-]n2)n1 ZINC001592525211 1173910248 /nfs/dbraw/zinc/91/02/48/1173910248.db2.gz ZTLRFSCEXQHBJN-UHFFFAOYSA-N -1 1 282.522 1.219 20 0 CDADMM FC1(F)CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001592627727 1173936463 /nfs/dbraw/zinc/93/64/63/1173936463.db2.gz CXOZLBOAOYOKOX-QMMMGPOBSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(F)CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001592627727 1173936471 /nfs/dbraw/zinc/93/64/71/1173936471.db2.gz CXOZLBOAOYOKOX-QMMMGPOBSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(F)C[C@@]12CCCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001592628918 1173939182 /nfs/dbraw/zinc/93/91/82/1173939182.db2.gz CILAKWUNKUVUGO-LLVKDONJSA-N -1 1 293.281 1.282 20 0 CDADMM FC1(F)C[C@@]12CCCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001592628918 1173939188 /nfs/dbraw/zinc/93/91/88/1173939188.db2.gz CILAKWUNKUVUGO-LLVKDONJSA-N -1 1 293.281 1.282 20 0 CDADMM Fc1ccc(CNc2ccnc(-c3nnn[n-]3)c2)cc1F ZINC001592650927 1173953604 /nfs/dbraw/zinc/95/36/04/1173953604.db2.gz HHTDNSVJNPKVBL-UHFFFAOYSA-N -1 1 288.261 1.574 20 0 CDADMM Fc1ccc(CNc2ccnc(-c3nn[n-]n3)c2)cc1F ZINC001592650927 1173953610 /nfs/dbraw/zinc/95/36/10/1173953610.db2.gz HHTDNSVJNPKVBL-UHFFFAOYSA-N -1 1 288.261 1.574 20 0 CDADMM Fc1cccc2c1CC[C@@H]2Nc1cc(-c2nnn[n-]2)ncn1 ZINC001592660798 1173958298 /nfs/dbraw/zinc/95/82/98/1173958298.db2.gz ICMWHJYQWZHJQU-NSHDSACASA-N -1 1 297.297 1.895 20 0 CDADMM Fc1cccc2c1CC[C@@H]2Nc1cc(-c2nn[n-]n2)ncn1 ZINC001592660798 1173958302 /nfs/dbraw/zinc/95/83/02/1173958302.db2.gz ICMWHJYQWZHJQU-NSHDSACASA-N -1 1 297.297 1.895 20 0 CDADMM O=C(NC/C=C\c1ccccc1)c1coc(-c2nnn[n-]2)c1 ZINC001593054718 1174017658 /nfs/dbraw/zinc/01/76/58/1174017658.db2.gz IEFSTAKAYLXCJN-DAXSKMNVSA-N -1 1 295.302 1.903 20 0 CDADMM O=C(NC/C=C\c1ccccc1)c1coc(-c2nn[n-]n2)c1 ZINC001593054718 1174017666 /nfs/dbraw/zinc/01/76/66/1174017666.db2.gz IEFSTAKAYLXCJN-DAXSKMNVSA-N -1 1 295.302 1.903 20 0 CDADMM O=C(N[C@@H]1C[C@H]1C1CCC1)c1coc(-c2nnn[n-]2)c1 ZINC001593180061 1174030069 /nfs/dbraw/zinc/03/00/69/1174030069.db2.gz NMNOILISCHBBIR-VHSXEESVSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(N[C@@H]1C[C@H]1C1CCC1)c1coc(-c2nn[n-]n2)c1 ZINC001593180061 1174030074 /nfs/dbraw/zinc/03/00/74/1174030074.db2.gz NMNOILISCHBBIR-VHSXEESVSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC001593259597 1174041996 /nfs/dbraw/zinc/04/19/96/1174041996.db2.gz DHABXAWLRCIGNW-UHFFFAOYSA-N -1 1 291.221 1.120 20 0 CDADMM O=C(OCCC1(O)CCC1)c1csc(-c2nnn[n-]2)c1 ZINC001593286780 1174054798 /nfs/dbraw/zinc/05/47/98/1174054798.db2.gz NRROAAQHOSKQOU-UHFFFAOYSA-N -1 1 294.336 1.390 20 0 CDADMM O=C(OCCC1(O)CCC1)c1csc(-c2nn[n-]n2)c1 ZINC001593286780 1174054800 /nfs/dbraw/zinc/05/48/00/1174054800.db2.gz NRROAAQHOSKQOU-UHFFFAOYSA-N -1 1 294.336 1.390 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1CC1CCCCCC1 ZINC001593492296 1174088590 /nfs/dbraw/zinc/08/85/90/1174088590.db2.gz GGJDVWBMJFUZQW-UHFFFAOYSA-N -1 1 273.340 1.999 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1CCC1CCCC1 ZINC001593496826 1174090686 /nfs/dbraw/zinc/09/06/86/1174090686.db2.gz YWFQPPKZQUVYPK-UHFFFAOYSA-N -1 1 259.313 1.609 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC001593551408 1174124887 /nfs/dbraw/zinc/12/48/87/1174124887.db2.gz KKOBFPGSGSAARE-LPEHRKFASA-N -1 1 271.328 1.505 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC001593551408 1174124893 /nfs/dbraw/zinc/12/48/93/1174124893.db2.gz KKOBFPGSGSAARE-LPEHRKFASA-N -1 1 271.328 1.505 20 0 CDADMM c1[nH]nc(NCc2cc3ccncc3s2)c1-c1nnn[n-]1 ZINC001593564847 1174140408 /nfs/dbraw/zinc/14/04/08/1174140408.db2.gz MYZKUBJQJAHIBA-UHFFFAOYSA-N -1 1 298.335 1.812 20 0 CDADMM c1[nH]nc(NCc2cc3ccncc3s2)c1-c1nn[n-]n1 ZINC001593564847 1174140415 /nfs/dbraw/zinc/14/04/15/1174140415.db2.gz MYZKUBJQJAHIBA-UHFFFAOYSA-N -1 1 298.335 1.812 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N2CC[C@H](C3CC3)C2)c1 ZINC001593583018 1174149936 /nfs/dbraw/zinc/14/99/36/1174149936.db2.gz KJJKNMQLUPFAGJ-JTQLQIEISA-N -1 1 256.313 1.498 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N2CC[C@H](C3CC3)C2)c1 ZINC001593583018 1174149939 /nfs/dbraw/zinc/14/99/39/1174149939.db2.gz KJJKNMQLUPFAGJ-JTQLQIEISA-N -1 1 256.313 1.498 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@@H]2CC[C@H](C3CC3)O2)n1 ZINC001593583194 1174151465 /nfs/dbraw/zinc/15/14/65/1174151465.db2.gz REPBOBJUBQNCBQ-VHSXEESVSA-N -1 1 287.327 1.026 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@@H]2CC[C@H](C3CC3)O2)n1 ZINC001593583194 1174151472 /nfs/dbraw/zinc/15/14/72/1174151472.db2.gz REPBOBJUBQNCBQ-VHSXEESVSA-N -1 1 287.327 1.026 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(SC[C@@H]2CCCCO2)c1 ZINC001593585537 1174153367 /nfs/dbraw/zinc/15/33/67/1174153367.db2.gz VZYVBHGVJPMXFU-VIFPVBQESA-N -1 1 277.353 1.923 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(SC[C@@H]2CCCCO2)c1 ZINC001593585537 1174153379 /nfs/dbraw/zinc/15/33/79/1174153379.db2.gz VZYVBHGVJPMXFU-VIFPVBQESA-N -1 1 277.353 1.923 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@@H]2CSCCS2)c1 ZINC001593585403 1174153786 /nfs/dbraw/zinc/15/37/86/1174153786.db2.gz SIAFFUWJHZVUSH-MRVPVSSYSA-N -1 1 294.409 1.522 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@@H]2CSCCS2)c1 ZINC001593585403 1174153792 /nfs/dbraw/zinc/15/37/92/1174153792.db2.gz SIAFFUWJHZVUSH-MRVPVSSYSA-N -1 1 294.409 1.522 20 0 CDADMM c1cncc([C@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)c1 ZINC001593587550 1174155774 /nfs/dbraw/zinc/15/57/74/1174155774.db2.gz KLNBGKGCOBBZDK-GFCCVEGCSA-N -1 1 294.322 1.037 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC001593590304 1174156809 /nfs/dbraw/zinc/15/68/09/1174156809.db2.gz NONJZMMLWRLESN-XHNCKOQMSA-N -1 1 257.301 1.257 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC001593590304 1174156815 /nfs/dbraw/zinc/15/68/15/1174156815.db2.gz NONJZMMLWRLESN-XHNCKOQMSA-N -1 1 257.301 1.257 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001593590027 1174158281 /nfs/dbraw/zinc/15/82/81/1174158281.db2.gz CFVPIKZSLVFRLM-LPEHRKFASA-N -1 1 271.328 1.647 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001593590027 1174158284 /nfs/dbraw/zinc/15/82/84/1174158284.db2.gz CFVPIKZSLVFRLM-LPEHRKFASA-N -1 1 271.328 1.647 20 0 CDADMM c1nc(NC2CCC3(COC3)CC2)cc(-c2nnn[n-]2)n1 ZINC001593591108 1174159025 /nfs/dbraw/zinc/15/90/25/1174159025.db2.gz LOQILULRVDRULU-UHFFFAOYSA-N -1 1 287.327 1.028 20 0 CDADMM c1nc(NC2CCC3(COC3)CC2)cc(-c2nn[n-]n2)n1 ZINC001593591108 1174159027 /nfs/dbraw/zinc/15/90/27/1174159027.db2.gz LOQILULRVDRULU-UHFFFAOYSA-N -1 1 287.327 1.028 20 0 CDADMM c1nc(N2CCC(C3CC3)CC2)cnc1-c1nnn[n-]1 ZINC001593591622 1174160480 /nfs/dbraw/zinc/16/04/80/1174160480.db2.gz RLXJDHJJNRHPHQ-UHFFFAOYSA-N -1 1 271.328 1.283 20 0 CDADMM c1nc(N2CCC(C3CC3)CC2)cnc1-c1nn[n-]n1 ZINC001593591622 1174160483 /nfs/dbraw/zinc/16/04/83/1174160483.db2.gz RLXJDHJJNRHPHQ-UHFFFAOYSA-N -1 1 271.328 1.283 20 0 CDADMM CCc1ccccc1C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC001596081570 1174227670 /nfs/dbraw/zinc/22/76/70/1174227670.db2.gz OAFHASSRHMSZNG-UHFFFAOYSA-N -1 1 297.318 1.541 20 0 CDADMM Cc1c(C(=O)[O-])cc(CNCc2cncnc2)n1C ZINC001599993808 1174335116 /nfs/dbraw/zinc/33/51/16/1174335116.db2.gz HSGUYDMPZMQJPA-UHFFFAOYSA-N -1 1 260.297 1.112 20 0 CDADMM Cc1ccc(CN(C)[C@H]2CCN(CCC(=O)[O-])C2=O)cc1 ZINC001600409505 1174465921 /nfs/dbraw/zinc/46/59/21/1174465921.db2.gz AQKMIJFMIKLAEF-AWEZNQCLSA-N -1 1 290.363 1.502 20 0 CDADMM Cc1[nH+]c(N2C[C@H](C)C[C@H](C(=O)[O-])C2)ccc1C(=O)[O-] ZINC001600707873 1174574741 /nfs/dbraw/zinc/57/47/41/1174574741.db2.gz AGKZAUBQQWWEFD-SCZZXKLOSA-N -1 1 278.308 1.635 20 0 CDADMM CCC1CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000103609281 1174681612 /nfs/dbraw/zinc/68/16/12/1174681612.db2.gz DIWVUKFCKYQRNU-UHFFFAOYSA-N -1 1 258.329 1.888 20 0 CDADMM CCC1CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000103609281 1174681617 /nfs/dbraw/zinc/68/16/17/1174681617.db2.gz DIWVUKFCKYQRNU-UHFFFAOYSA-N -1 1 258.329 1.888 20 0 CDADMM c1ccc(OCCNc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000103670033 1174684887 /nfs/dbraw/zinc/68/48/87/1174684887.db2.gz JWXLNOFNFGVKQK-UHFFFAOYSA-N -1 1 282.307 1.753 20 0 CDADMM c1ccc(OCCNc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000103670033 1174684888 /nfs/dbraw/zinc/68/48/88/1174684888.db2.gz JWXLNOFNFGVKQK-UHFFFAOYSA-N -1 1 282.307 1.753 20 0 CDADMM Cn1ccc(CNc2nc3cccc(C(=O)[O-])c3[nH]2)n1 ZINC001600974487 1174686448 /nfs/dbraw/zinc/68/64/48/1174686448.db2.gz BLMGRPSYTMUBRJ-UHFFFAOYSA-N -1 1 271.280 1.607 20 0 CDADMM Nc1cc(CCCCNc2nccnc2C(=O)[O-])ccn1 ZINC001601212463 1174790862 /nfs/dbraw/zinc/79/08/62/1174790862.db2.gz PDYMNNVUUZNJFE-UHFFFAOYSA-N -1 1 287.323 1.587 20 0 CDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)C1CCC2(CC2)CC1 ZINC001601565451 1174901807 /nfs/dbraw/zinc/90/18/07/1174901807.db2.gz ABFUXYPPYREINF-LBPRGKRZSA-N -1 1 291.351 1.492 20 0 CDADMM O=C([O-])[C@H](N[C@H](CO)C1CC1)c1c(F)cccc1Cl ZINC001601666159 1174936707 /nfs/dbraw/zinc/93/67/07/1174936707.db2.gz DRVCMPZQKMSPME-ZYHUDNBSSA-N -1 1 287.718 1.965 20 0 CDADMM O=C([O-])C1(CN2CCc3nc(C4CC4)ncc3C2)CC1 ZINC001601709165 1174962441 /nfs/dbraw/zinc/96/24/41/1174962441.db2.gz GMVVFVAABCDPSB-UHFFFAOYSA-N -1 1 273.336 1.577 20 0 CDADMM O=C([O-])[C@]1(NCc2cc(O)ccc2Cl)CCOC1 ZINC001601721496 1174966677 /nfs/dbraw/zinc/96/66/77/1174966677.db2.gz VMOJOSGVIKXXFC-LBPRGKRZSA-N -1 1 271.700 1.379 20 0 CDADMM O=C([O-])[C@@]1(O)CCN(Cc2cc(O)ccc2Cl)C1 ZINC001601722200 1174967186 /nfs/dbraw/zinc/96/71/86/1174967186.db2.gz CAPVESWUEPHYPB-GFCCVEGCSA-N -1 1 271.700 1.067 20 0 CDADMM O=C([O-])C1=CC[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC001601734390 1174973903 /nfs/dbraw/zinc/97/39/03/1174973903.db2.gz CKMKKFIMKPXSEP-JTQLQIEISA-N -1 1 298.298 1.431 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)CN1C[C@@H]1CCC2(CCCCCC2)O1 ZINC001601774090 1175000289 /nfs/dbraw/zinc/00/02/89/1175000289.db2.gz WKJJXUALOWHFNN-RDBSUJKOSA-N -1 1 297.395 1.778 20 0 CDADMM O=C([O-])C1CCN(C(=O)c2cc(F)cc(F)c2O)CC1 ZINC001601824726 1175024015 /nfs/dbraw/zinc/02/40/15/1175024015.db2.gz GBIQALWOZJWQSZ-UHFFFAOYSA-N -1 1 285.246 1.607 20 0 CDADMM O=C([O-])[C@@H]1CCN(Cc2ccns2)[C@H]([C@@H]2CCCO2)C1 ZINC001601827723 1175026928 /nfs/dbraw/zinc/02/69/28/1175026928.db2.gz FINAOQOJMCBYTQ-WXHSDQCUSA-N -1 1 296.392 1.987 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@@H]1NCc1nc(C2CC2)no1 ZINC001602173531 1175152399 /nfs/dbraw/zinc/15/23/99/1175152399.db2.gz DRWXWYCNQYWMTJ-BDAKNGLRSA-N -1 1 251.286 1.290 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](C(=O)Nc2ccn(-c3ccncc3)n2)C1 ZINC001602217064 1175171402 /nfs/dbraw/zinc/17/14/02/1175171402.db2.gz UHFOJRRBVMJCHS-AOOOYVTPSA-N -1 1 286.291 1.317 20 0 CDADMM O=C([O-])[C@]12CCC[C@H]1C[N@@H+](Cc1noc3c1COCC3)C2 ZINC001602222005 1175173497 /nfs/dbraw/zinc/17/34/97/1175173497.db2.gz ZTAFQQVRXMJWCQ-BONVTDFDSA-N -1 1 292.335 1.434 20 0 CDADMM O=C([O-])c1cc(Br)oc1CN[C@H]1C[C@H](O)C1 ZINC001602241380 1175178152 /nfs/dbraw/zinc/17/81/52/1175178152.db2.gz INIIYCIROUMNJO-IZLXSQMJSA-N -1 1 290.113 1.353 20 0 CDADMM O=C([O-])c1cc(CN2CC[C@]3(CC3(F)F)C2)on1 ZINC001602255027 1175182216 /nfs/dbraw/zinc/18/22/16/1175182216.db2.gz AMKAMBJHSOWTPU-JTQLQIEISA-N -1 1 258.224 1.604 20 0 CDADMM O=C([O-])c1ccc(CN[C@@H](c2nnc[nH]2)c2ccccc2)[nH]1 ZINC001602344531 1175217745 /nfs/dbraw/zinc/21/77/45/1175217745.db2.gz KXBZCVNPFFERGH-CYBMUJFWSA-N -1 1 297.318 1.710 20 0 CDADMM O=C([O-])c1cnc(CN2CCC(c3cccnc3)CC2)cn1 ZINC001602518961 1175266569 /nfs/dbraw/zinc/26/65/69/1175266569.db2.gz MDOKXUJLTSTDQL-UHFFFAOYSA-N -1 1 298.346 1.949 20 0 CDADMM O=C([O-])c1occc1CN[C@@H]1COc2ccccc2[C@@H]1O ZINC001602589667 1175310054 /nfs/dbraw/zinc/31/00/54/1175310054.db2.gz HNHIOTGMVWRLIM-YPMHNXCESA-N -1 1 289.287 1.562 20 0 CDADMM C1=CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001602750015 1175385413 /nfs/dbraw/zinc/38/54/13/1175385413.db2.gz RGKUSMMCGSUOQM-JTQLQIEISA-N -1 1 271.328 1.237 20 0 CDADMM C/C(=C\C(C)(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001602960522 1175461774 /nfs/dbraw/zinc/46/17/74/1175461774.db2.gz TZQNLECTIFETPT-LAHYYIKRSA-N -1 1 279.340 1.514 20 0 CDADMM CC(C)(C)/C=C/C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001603069183 1175485276 /nfs/dbraw/zinc/48/52/76/1175485276.db2.gz PSNRLUPDTLCOJM-VOTSOKGWSA-N -1 1 287.323 1.907 20 0 CDADMM CC(C)(C)/C=C/C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001603069183 1175485279 /nfs/dbraw/zinc/48/52/79/1175485279.db2.gz PSNRLUPDTLCOJM-VOTSOKGWSA-N -1 1 287.323 1.907 20 0 CDADMM CC(C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1)=C1CCCC1 ZINC001603146311 1175501373 /nfs/dbraw/zinc/50/13/73/1175501373.db2.gz PDZLFRNENLFLPN-LBPRGKRZSA-N -1 1 294.395 1.884 20 0 CDADMM CC(F)(F)CCNc1ncncc1-c1nn[n-]n1 ZINC001603595828 1175573297 /nfs/dbraw/zinc/57/32/97/1175573297.db2.gz XMJKYAXHLUICJS-UHFFFAOYSA-N -1 1 255.232 1.114 20 0 CDADMM CC(C)(CCC(=O)[O-])NC(=O)c1cccc(F)c1O ZINC001603598080 1175575249 /nfs/dbraw/zinc/57/52/49/1175575249.db2.gz BVPRZEZHJGLFTO-UHFFFAOYSA-N -1 1 269.272 1.905 20 0 CDADMM CC(C)(NC[C@@H]1CCCCO1)c1cc(C(=O)[O-])on1 ZINC001603680527 1175595677 /nfs/dbraw/zinc/59/56/77/1175595677.db2.gz BEGUKJIKZRJUDK-VIFPVBQESA-N -1 1 268.313 1.767 20 0 CDADMM C[C@@H](O)C(C)(C)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001603693823 1175601984 /nfs/dbraw/zinc/60/19/84/1175601984.db2.gz JTKJKCYANOGPTH-SSDOTTSWSA-N -1 1 295.368 1.065 20 0 CDADMM C[C@@H](O)C(C)(C)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001603693823 1175601987 /nfs/dbraw/zinc/60/19/87/1175601987.db2.gz JTKJKCYANOGPTH-SSDOTTSWSA-N -1 1 295.368 1.065 20 0 CDADMM C[C@@H](O)c1ccc(CNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001603697924 1175602802 /nfs/dbraw/zinc/60/28/02/1175602802.db2.gz RRGSRJNLZFZVJD-SECBINFHSA-N -1 1 297.322 1.322 20 0 CDADMM C[C@@H](O)c1ccc(CNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001603697924 1175602805 /nfs/dbraw/zinc/60/28/05/1175602805.db2.gz RRGSRJNLZFZVJD-SECBINFHSA-N -1 1 297.322 1.322 20 0 CDADMM CC1(C)CC[C@H](C(=O)Nc2c[nH]nc2-c2nn[n-]n2)C1 ZINC001603769704 1175624959 /nfs/dbraw/zinc/62/49/59/1175624959.db2.gz BPZAXTQRACMXSF-ZETCQYMHSA-N -1 1 275.316 1.355 20 0 CDADMM CC1(C)CC[C@H](COc2cnc(-c3nn[n-]n3)nc2)OC1 ZINC001603772659 1175626742 /nfs/dbraw/zinc/62/67/42/1175626742.db2.gz RPBKTRAQWXGHSC-SECBINFHSA-N -1 1 290.327 1.241 20 0 CDADMM CC1(C)CCCC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001603777919 1175628223 /nfs/dbraw/zinc/62/82/23/1175628223.db2.gz XQAJKEYWEWOKAW-VIFPVBQESA-N -1 1 273.344 1.459 20 0 CDADMM CC1(C)CCCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001603777799 1175628794 /nfs/dbraw/zinc/62/87/94/1175628794.db2.gz QHKJBCNVPNUOHS-UHFFFAOYSA-N -1 1 286.339 1.524 20 0 CDADMM CC1(C)CCCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001603777799 1175628797 /nfs/dbraw/zinc/62/87/97/1175628797.db2.gz QHKJBCNVPNUOHS-UHFFFAOYSA-N -1 1 286.339 1.524 20 0 CDADMM C[C@@H]1C[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)o2)[C@H](C)O1 ZINC001603850030 1175652690 /nfs/dbraw/zinc/65/26/90/1175652690.db2.gz BFKSUPIYWIASRK-VGMNWLOBSA-N -1 1 291.311 1.003 20 0 CDADMM C[C@@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)o2)[C@H](C)O1 ZINC001603850030 1175652697 /nfs/dbraw/zinc/65/26/97/1175652697.db2.gz BFKSUPIYWIASRK-VGMNWLOBSA-N -1 1 291.311 1.003 20 0 CDADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)CCS1 ZINC001603854314 1175654517 /nfs/dbraw/zinc/65/45/17/1175654517.db2.gz QKEDRLKSIKHGFH-SFYZADRCSA-N -1 1 293.352 1.474 20 0 CDADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)CCS1 ZINC001603854314 1175654521 /nfs/dbraw/zinc/65/45/21/1175654521.db2.gz QKEDRLKSIKHGFH-SFYZADRCSA-N -1 1 293.352 1.474 20 0 CDADMM C[C@@H]1CC[C@H](CNc2cccc(-c3nnn[n-]3)n2)O1 ZINC001603878333 1175666256 /nfs/dbraw/zinc/66/62/56/1175666256.db2.gz NLURGGBCTGUCGY-RKDXNWHRSA-N -1 1 260.301 1.241 20 0 CDADMM C[C@@H]1CC[C@H](CNc2cccc(-c3nn[n-]n3)n2)O1 ZINC001603878333 1175666258 /nfs/dbraw/zinc/66/62/58/1175666258.db2.gz NLURGGBCTGUCGY-RKDXNWHRSA-N -1 1 260.301 1.241 20 0 CDADMM C[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001603897552 1175676413 /nfs/dbraw/zinc/67/64/13/1175676413.db2.gz IWGNTNAQWALJFA-VIFPVBQESA-N -1 1 259.317 1.283 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@@H]1F ZINC001603904214 1175679455 /nfs/dbraw/zinc/67/94/55/1175679455.db2.gz XDSUDWQRKRPBGN-WPRPVWTQSA-N -1 1 290.302 1.082 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@@H]1F ZINC001603904214 1175679458 /nfs/dbraw/zinc/67/94/58/1175679458.db2.gz XDSUDWQRKRPBGN-WPRPVWTQSA-N -1 1 290.302 1.082 20 0 CDADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001603903898 1175679537 /nfs/dbraw/zinc/67/95/37/1175679537.db2.gz UMJPDEJOROPWHI-NXEZZACHSA-N -1 1 286.339 1.380 20 0 CDADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001603903898 1175679539 /nfs/dbraw/zinc/67/95/39/1175679539.db2.gz UMJPDEJOROPWHI-NXEZZACHSA-N -1 1 286.339 1.380 20 0 CDADMM CCC(O)(CC)CCNc1ccnc(-c2nnn[n-]2)c1 ZINC001604065993 1175742632 /nfs/dbraw/zinc/74/26/32/1175742632.db2.gz GMCMHDYKNNFCQH-UHFFFAOYSA-N -1 1 276.344 1.615 20 0 CDADMM CCC(O)(CC)CCNc1ccnc(-c2nn[n-]n2)c1 ZINC001604065993 1175742638 /nfs/dbraw/zinc/74/26/38/1175742638.db2.gz GMCMHDYKNNFCQH-UHFFFAOYSA-N -1 1 276.344 1.615 20 0 CDADMM CCC(O)(CC)CN(C)c1cccnc1-c1nnn[n-]1 ZINC001604066253 1175744659 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280.357 1.376 20 0 CDADMM CC(C)CCC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001589582477 1173160199 /nfs/dbraw/zinc/16/01/99/1173160199.db2.gz WOBMNFGTLPVELP-UHFFFAOYSA-N -1 1 280.357 1.376 20 0 CDADMM O=C(Nc1nn[n-]n1)c1cnc(Cc2ccccc2)s1 ZINC000087370859 260134794 /nfs/dbraw/zinc/13/47/94/260134794.db2.gz FGAGIIPJHPDTRS-UHFFFAOYSA-N -1 1 286.320 1.499 20 0 CDADMM CC(C)c1nc(=NC[C@H]2CCCN2CCCO)s[n-]1 ZINC000517287644 260143482 /nfs/dbraw/zinc/14/34/82/260143482.db2.gz XNCAMIDRRPPNNT-LLVKDONJSA-N -1 1 284.429 1.342 20 0 CDADMM C[C@H](NC(=O)c1ccsc1-c1nnn[n-]1)c1ccc[nH]1 ZINC001589950665 1173208994 /nfs/dbraw/zinc/20/89/94/1173208994.db2.gz YBNMDIDXRJAZKN-ZETCQYMHSA-N -1 1 288.336 1.747 20 0 CDADMM C[C@H](NC(=O)c1ccsc1-c1nn[n-]n1)c1ccc[nH]1 ZINC001589950665 1173208998 /nfs/dbraw/zinc/20/89/98/1173208998.db2.gz YBNMDIDXRJAZKN-ZETCQYMHSA-N -1 1 288.336 1.747 20 0 CDADMM CC[C@@H]1CN(C(=O)C(=O)c2ccc([O-])cc2)[C@@H](CC)CO1 ZINC000652762639 424045208 /nfs/dbraw/zinc/04/52/08/424045208.db2.gz LXYOSYQDKJVAKP-GXTWGEPZSA-N -1 1 291.347 1.991 20 0 CDADMM C[C@H](O)CCn1cc(-c2nn[n-]n2)c2ccsc2c1=O ZINC001589997448 1173227785 /nfs/dbraw/zinc/22/77/85/1173227785.db2.gz BGMYIAYTDMFWGG-ZETCQYMHSA-N -1 1 291.336 1.014 20 0 CDADMM CCN(Cc1ccccn1)C(=O)c1cncc([O-])c1 ZINC000094590101 265244578 /nfs/dbraw/zinc/24/45/78/265244578.db2.gz MWIDTXSQTDZESL-UHFFFAOYSA-N -1 1 257.293 1.845 20 0 CDADMM O=C([O-])[C@@H](CC(F)F)NC(=O)c1[nH]nc2c1CCCC2 ZINC000653659935 424396285 /nfs/dbraw/zinc/39/62/85/424396285.db2.gz BIMQSEJXDLMHGA-MRVPVSSYSA-N -1 1 287.266 1.127 20 0 CDADMM O=C([O-])C1(CN2CCO[C@@H](c3ccsc3)C2)CC1 ZINC000652431582 424424502 /nfs/dbraw/zinc/42/45/02/424424502.db2.gz CDFIXKRIUYXCPL-LLVKDONJSA-N -1 1 267.350 1.986 20 0 CDADMM C[C@@H]1CN(CCc2ccc3c(c2)CCO3)C[C@H](C(=O)[O-])O1 ZINC000652510261 424512931 /nfs/dbraw/zinc/51/29/31/424512931.db2.gz WWBDBQKNEKWOSA-IAQYHMDHSA-N -1 1 291.347 1.338 20 0 CDADMM CC1(F)CN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)C1 ZINC001590141969 1173269763 /nfs/dbraw/zinc/26/97/63/1173269763.db2.gz RQQLCLRCGMNZLA-UHFFFAOYSA-N -1 1 297.240 1.329 20 0 CDADMM CC1=C[C@H](C)CN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590155833 1173274898 /nfs/dbraw/zinc/27/48/98/1173274898.db2.gz BPHIFIFCLCQOCN-QMMMGPOBSA-N -1 1 257.301 1.059 20 0 CDADMM C[C@@H]1C[C@@H](C)N1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590191412 1173284989 /nfs/dbraw/zinc/28/49/89/1173284989.db2.gz PWLZDOFXVGXRPX-RNFRBKRXSA-N -1 1 293.356 1.016 20 0 CDADMM C[C@@H]1C[C@@H](C)N1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590191412 1173284994 /nfs/dbraw/zinc/28/49/94/1173284994.db2.gz PWLZDOFXVGXRPX-RNFRBKRXSA-N -1 1 293.356 1.016 20 0 CDADMM O=S(=O)(CCC(F)(F)F)c1n[n-]c(C2CC2)n1 ZINC000435692039 270388917 /nfs/dbraw/zinc/38/89/17/270388917.db2.gz IRDRQWVHHWYKGH-UHFFFAOYSA-N -1 1 269.248 1.408 20 0 CDADMM COCCN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530168488 271125785 /nfs/dbraw/zinc/12/57/85/271125785.db2.gz NOEZOYITQFMRAG-UHFFFAOYSA-N -1 1 253.273 1.528 20 0 CDADMM CC[C@](C)(O)CCOC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001590383650 1173382537 /nfs/dbraw/zinc/38/25/37/1173382537.db2.gz FUXAOUJWGHCTJJ-LBPRGKRZSA-N -1 1 296.352 1.636 20 0 CDADMM CC[C@](C)(O)CCOC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590383650 1173382547 /nfs/dbraw/zinc/38/25/47/1173382547.db2.gz FUXAOUJWGHCTJJ-LBPRGKRZSA-N -1 1 296.352 1.636 20 0 CDADMM C[C@@]1(F)CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000335777157 278125362 /nfs/dbraw/zinc/12/53/62/278125362.db2.gz OFJVOIGIZRRQOT-CQSZACIVSA-N -1 1 275.283 1.497 20 0 CDADMM Cc1nnc(NC(=O)c2ccc(Cl)cc2[O-])[nH]1 ZINC000086507469 279251803 /nfs/dbraw/zinc/25/18/03/279251803.db2.gz STHBYDVAUGNXLH-UHFFFAOYSA-N -1 1 252.661 1.724 20 0 CDADMM CN(C[C@H]1CCCC[C@@H]1O)C(=O)c1cccc2nn[nH]c21 ZINC000119134382 279356737 /nfs/dbraw/zinc/35/67/37/279356737.db2.gz ACNDCYTYCFNGAD-MFKMUULPSA-N -1 1 288.351 1.581 20 0 CDADMM CC(C)[C@H](C)NC(=O)CN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000251350722 280217243 /nfs/dbraw/zinc/21/72/43/280217243.db2.gz SEQCFEADSQPSKN-FQUUOJAGSA-N -1 1 296.411 1.865 20 0 CDADMM C[C@@H]1CN(Cc2nc(=O)[n-][nH]2)c2cccc(F)c2O1 ZINC000275042294 288223631 /nfs/dbraw/zinc/22/36/31/288223631.db2.gz YIEDDEPLCXEPLG-SSDOTTSWSA-N -1 1 264.260 1.025 20 0 CDADMM CCC(O)(CC)CCNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001590473008 1173424390 /nfs/dbraw/zinc/42/43/90/1173424390.db2.gz ANVWKLIMAWMFBA-UHFFFAOYSA-N -1 1 291.359 1.318 20 0 CDADMM CCC(O)(CC)CCNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001590473008 1173424393 /nfs/dbraw/zinc/42/43/93/1173424393.db2.gz ANVWKLIMAWMFBA-UHFFFAOYSA-N -1 1 291.359 1.318 20 0 CDADMM C[C@@H]1CC[C@H](CCC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)O1 ZINC000532798344 282045575 /nfs/dbraw/zinc/04/55/75/282045575.db2.gz DIYOZRQFFOHXSG-IJLUTSLNSA-N -1 1 293.371 1.253 20 0 CDADMM CC[C@@H](SC)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001590482914 1173430153 /nfs/dbraw/zinc/43/01/53/1173430153.db2.gz SEWFJNFYOAAPEG-ZCFIWIBFSA-N -1 1 298.397 1.712 20 0 CDADMM CC[C@@H](SC)C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590482914 1173430157 /nfs/dbraw/zinc/43/01/57/1173430157.db2.gz SEWFJNFYOAAPEG-ZCFIWIBFSA-N -1 1 298.397 1.712 20 0 CDADMM Cc1cccc(CC(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1 ZINC000095325309 289062589 /nfs/dbraw/zinc/06/25/89/289062589.db2.gz WRSPOHKNFWQQRO-LLVKDONJSA-N -1 1 273.340 1.313 20 0 CDADMM O=C(C=Cc1cccc(O)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000156636153 289269133 /nfs/dbraw/zinc/26/91/33/289269133.db2.gz NWSGRZNQEBIADE-SYTKJHMZSA-N -1 1 299.334 1.325 20 0 CDADMM CC[C@@H](O)CC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000156778617 289271284 /nfs/dbraw/zinc/27/12/84/289271284.db2.gz PUHSWWYBKIGGET-LLVKDONJSA-N -1 1 283.349 1.872 20 0 CDADMM CC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@H]1C ZINC001590513892 1173442264 /nfs/dbraw/zinc/44/22/64/1173442264.db2.gz AARABWAPVGFGQQ-DTWKUNHWSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@H]1C ZINC001590513892 1173442269 /nfs/dbraw/zinc/44/22/69/1173442269.db2.gz AARABWAPVGFGQQ-DTWKUNHWSA-N -1 1 259.317 1.282 20 0 CDADMM CCC[C@@H](NC(=O)C=Cc1cccnc1)c1nn[n-]n1 ZINC000255020909 289351170 /nfs/dbraw/zinc/35/11/70/289351170.db2.gz LHOREDAJQQBVOV-JMEBYUIHSA-N -1 1 272.312 1.266 20 0 CDADMM CN1CCN(C(=O)c2cc(F)c([O-])c(F)c2)C(C)(C)C1 ZINC000335817883 290029634 /nfs/dbraw/zinc/02/96/34/290029634.db2.gz NDXZDZHUJJLXIW-UHFFFAOYSA-N -1 1 284.306 1.837 20 0 CDADMM COc1ccc(S(=O)(=O)[N-]c2cnc[nH]2)cc1Cl ZINC000555903402 290246094 /nfs/dbraw/zinc/24/60/94/290246094.db2.gz WOCQCHBYRKTGFP-UHFFFAOYSA-N -1 1 287.728 1.873 20 0 CDADMM CC[C@@H](NC(=O)c1cncc([O-])c1)C(=O)OC(C)(C)C ZINC000559546410 290453358 /nfs/dbraw/zinc/45/33/58/290453358.db2.gz FNQADICSRNGPJO-LLVKDONJSA-N -1 1 280.324 1.637 20 0 CDADMM C[C@H](c1cc(F)ccc1F)[N@@H+](C)C[C@](C)(O)C(=O)[O-] ZINC000568281398 294008531 /nfs/dbraw/zinc/00/85/31/294008531.db2.gz JCJVHAFULBAHMA-OQPBUACISA-N -1 1 273.279 1.793 20 0 CDADMM C[C@H](c1cc(F)ccc1F)N(C)C[C@](C)(O)C(=O)[O-] ZINC000568281398 294008533 /nfs/dbraw/zinc/00/85/33/294008533.db2.gz JCJVHAFULBAHMA-OQPBUACISA-N -1 1 273.279 1.793 20 0 CDADMM CC(C)C[C@@H]1CCCCN1Cc1cn(CC(=O)[O-])nn1 ZINC000568404359 294031215 /nfs/dbraw/zinc/03/12/15/294031215.db2.gz OWXAVXXJZZJPKI-ZDUSSCGKSA-N -1 1 280.372 1.763 20 0 CDADMM O=C([O-])C1(C(=O)Nc2ccc3[nH]nnc3c2)CCC1 ZINC000569244981 294181470 /nfs/dbraw/zinc/18/14/70/294181470.db2.gz NGEPWZUHHBQAAV-UHFFFAOYSA-N -1 1 260.253 1.151 20 0 CDADMM CCCCOC(=O)CSc1ccc(-c2nnn[n-]2)nn1 ZINC001590605850 1173474137 /nfs/dbraw/zinc/47/41/37/1173474137.db2.gz OLWBRJMQQNKVES-UHFFFAOYSA-N -1 1 294.340 1.092 20 0 CDADMM CCCCOC(=O)CSc1ccc(-c2nn[n-]n2)nn1 ZINC001590605850 1173474140 /nfs/dbraw/zinc/47/41/40/1173474140.db2.gz OLWBRJMQQNKVES-UHFFFAOYSA-N -1 1 294.340 1.092 20 0 CDADMM C[C@H]1CN(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)C[C@@H]1C ZINC000286969795 300093840 /nfs/dbraw/zinc/09/38/40/300093840.db2.gz AIIGLOJOWLLIMO-BXGBWNNFSA-N -1 1 273.340 1.462 20 0 CDADMM Cc1cc(=NC(=O)N2CCN(C)C[C@H]2C(C)C)[n-]nc1C ZINC000354957118 301045323 /nfs/dbraw/zinc/04/53/23/301045323.db2.gz WWXSRFXPMWLPFQ-ZDUSSCGKSA-N -1 1 291.399 1.319 20 0 CDADMM Cc1cc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC000226634573 301127352 /nfs/dbraw/zinc/12/73/52/301127352.db2.gz WHRZRQCVMNKFFR-DLOVCJGASA-N -1 1 277.324 1.576 20 0 CDADMM CN(CC1CC1)c1snc(Cl)c1-c1nnn[n-]1 ZINC001591053231 1173564559 /nfs/dbraw/zinc/56/45/59/1173564559.db2.gz CXRGOCSRVBDCAK-UHFFFAOYSA-N -1 1 270.749 1.823 20 0 CDADMM CN(CC1CC1)c1snc(Cl)c1-c1nn[n-]n1 ZINC001591053231 1173564568 /nfs/dbraw/zinc/56/45/68/1173564568.db2.gz CXRGOCSRVBDCAK-UHFFFAOYSA-N -1 1 270.749 1.823 20 0 CDADMM CN(CC1(C)COC1)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591053510 1173565671 /nfs/dbraw/zinc/56/56/71/1173565671.db2.gz SUJSEVBPJFWIDD-UHFFFAOYSA-N -1 1 293.352 1.037 20 0 CDADMM COC[C@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)C(C)C ZINC001591382604 1173639368 /nfs/dbraw/zinc/63/93/68/1173639368.db2.gz KMYURYIVGZAPBL-JTQLQIEISA-N -1 1 277.332 1.048 20 0 CDADMM COC[C@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)C(C)C ZINC001591382604 1173639372 /nfs/dbraw/zinc/63/93/72/1173639372.db2.gz KMYURYIVGZAPBL-JTQLQIEISA-N -1 1 277.332 1.048 20 0 CDADMM CS[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001591690027 1173680499 /nfs/dbraw/zinc/68/04/99/1173680499.db2.gz KEILXFFNACVTLZ-VIFPVBQESA-N -1 1 293.400 1.846 20 0 CDADMM CS[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001591690027 1173680500 /nfs/dbraw/zinc/68/05/00/1173680500.db2.gz KEILXFFNACVTLZ-VIFPVBQESA-N -1 1 293.400 1.846 20 0 CDADMM CS[C@H](C)CC(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001591688788 1173679715 /nfs/dbraw/zinc/67/97/15/1173679715.db2.gz ABTAPQLLGHNTMP-MRVPVSSYSA-N -1 1 293.352 1.447 20 0 CDADMM CS[C@H](C)CC(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001591688788 1173679720 /nfs/dbraw/zinc/67/97/20/1173679720.db2.gz ABTAPQLLGHNTMP-MRVPVSSYSA-N -1 1 293.352 1.447 20 0 CDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)o1)[C@@H]1CC12CC2 ZINC001591732485 1173695220 /nfs/dbraw/zinc/69/52/20/1173695220.db2.gz HFZXXRCADYIWDL-SFYZADRCSA-N -1 1 274.280 1.805 20 0 CDADMM CCS(=O)(=O)c1ccc(C[N@@H+](CC(=O)[O-])C(C)C)cc1 ZINC000577499679 317342118 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/nfs/dbraw/zinc/51/12/41/575511241.db2.gz BFROTQWWWACCJJ-SNVBAGLBSA-N -1 1 288.355 1.816 20 0 CDADMM O=C(N[C@H](CO)C1CC1)c1ccc(Cl)cc1[O-] ZINC000771003736 575528309 /nfs/dbraw/zinc/52/83/09/575528309.db2.gz ODHWNLCHECFEMO-SNVBAGLBSA-N -1 1 255.701 1.546 20 0 CDADMM CC1(C)[C@H](Nc2cccc(-c3nnn[n-]3)n2)[C@H]2CCO[C@H]21 ZINC000736205154 575589730 /nfs/dbraw/zinc/58/97/30/575589730.db2.gz HWXHKGASRZMROW-GGZOMVNGSA-N -1 1 286.339 1.487 20 0 CDADMM CC1(C)[C@H](Nc2cccc(-c3nn[n-]n3)n2)[C@H]2CCO[C@H]21 ZINC000736205154 575589732 /nfs/dbraw/zinc/58/97/32/575589732.db2.gz HWXHKGASRZMROW-GGZOMVNGSA-N -1 1 286.339 1.487 20 0 CDADMM CC[C@H](CCO)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736350391 575635259 /nfs/dbraw/zinc/63/52/59/575635259.db2.gz MXKFGDWDNCTLDC-SECBINFHSA-N -1 1 299.338 1.383 20 0 CDADMM CC[C@H](CCO)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736350391 575635261 /nfs/dbraw/zinc/63/52/61/575635261.db2.gz MXKFGDWDNCTLDC-SECBINFHSA-N -1 1 299.338 1.383 20 0 CDADMM CC(C)[C@@H]1CN(C)CCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000736396057 575648389 /nfs/dbraw/zinc/64/83/89/575648389.db2.gz LLTVYHFZCOLSMQ-AWEZNQCLSA-N -1 1 290.363 1.797 20 0 CDADMM C[C@H]1CCC[N@H+]1CCNC(=O)c1c([O-])cccc1F ZINC000772113774 575661703 /nfs/dbraw/zinc/66/17/03/575661703.db2.gz HKWJKHXZUJWERX-JTQLQIEISA-N -1 1 266.316 1.745 20 0 CDADMM C[C@H](CN(C)C(=O)[C@@H](Cc1ccccc1)N(C)C)C(=O)[O-] ZINC000736571823 575693172 /nfs/dbraw/zinc/69/31/72/575693172.db2.gz VNPUWJYREHWUGK-TZMCWYRMSA-N -1 1 292.379 1.338 20 0 CDADMM C[C@H](CN(CC(=O)N(C)c1ccccc1)C1CC1)C(=O)[O-] ZINC000736578177 575695130 /nfs/dbraw/zinc/69/51/30/575695130.db2.gz IQKBGVDTEJDIPJ-GFCCVEGCSA-N -1 1 290.363 1.835 20 0 CDADMM C[C@@H](NCC(=O)NCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000736663527 575711206 /nfs/dbraw/zinc/71/12/06/575711206.db2.gz ZJEMYODYGHNGQA-SECBINFHSA-N -1 1 284.743 1.582 20 0 CDADMM C[C@@H](c1nc(-c2cccnc2)no1)N1CC[C@@H](C(=O)[O-])C1 ZINC000736724171 575728843 /nfs/dbraw/zinc/72/88/43/575728843.db2.gz KALVEESJMHSPPW-GXSJLCMTSA-N -1 1 288.307 1.599 20 0 CDADMM CC1(C)[C@@H]2CN(CC(=O)Nc3cccc(C(=O)[O-])c3)C[C@@H]21 ZINC000736727338 575729396 /nfs/dbraw/zinc/72/93/96/575729396.db2.gz VRVKRCLFRWPXBL-BETUJISGSA-N -1 1 288.347 1.911 20 0 CDADMM CCOCCO[N-]C(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000772701049 575738667 /nfs/dbraw/zinc/73/86/67/575738667.db2.gz OFESCKOZRIJLFQ-LBPRGKRZSA-N -1 1 298.383 1.252 20 0 CDADMM CCOCCO[N-]C(=O)Cc1cn2cccc(C)c2n1 ZINC000772699264 575752545 /nfs/dbraw/zinc/75/25/45/575752545.db2.gz LGCMXDYCXJYKBO-UHFFFAOYSA-N -1 1 277.324 1.270 20 0 CDADMM CC[C@H](Sc1nc(-c2ccccn2)n[nH]1)C(=O)[O-] ZINC000736929783 575773175 /nfs/dbraw/zinc/77/31/75/575773175.db2.gz VQXGJRZDOWETDH-QMMMGPOBSA-N -1 1 264.310 1.822 20 0 CDADMM COC[C@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000736970574 575779949 /nfs/dbraw/zinc/77/99/49/575779949.db2.gz CRFICGKRPXMLJA-QMMMGPOBSA-N -1 1 294.746 1.388 20 0 CDADMM COC[C@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000736970574 575779952 /nfs/dbraw/zinc/77/99/52/575779952.db2.gz CRFICGKRPXMLJA-QMMMGPOBSA-N -1 1 294.746 1.388 20 0 CDADMM CCCCNC(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000736998237 575787178 /nfs/dbraw/zinc/78/71/78/575787178.db2.gz FOVGVHYNGFTSDR-UHFFFAOYSA-N -1 1 256.346 1.280 20 0 CDADMM COc1cccc(CN(C)c2cccc(-c3nnn[n-]3)n2)c1 ZINC000737132419 575829330 /nfs/dbraw/zinc/82/93/30/575829330.db2.gz WXGSMBVRXIGTTB-UHFFFAOYSA-N -1 1 296.334 1.907 20 0 CDADMM COc1cccc(CN(C)c2cccc(-c3nn[n-]n3)n2)c1 ZINC000737132419 575829331 /nfs/dbraw/zinc/82/93/31/575829331.db2.gz WXGSMBVRXIGTTB-UHFFFAOYSA-N -1 1 296.334 1.907 20 0 CDADMM C[C@H](CC(=O)N(C)C[C@H](C)c1nn[n-]n1)C1CC1 ZINC000774003917 575847886 /nfs/dbraw/zinc/84/78/86/575847886.db2.gz ZZOVEJZDDPPPFJ-BDAKNGLRSA-N -1 1 251.334 1.198 20 0 CDADMM Cc1ccccc1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737428417 575961935 /nfs/dbraw/zinc/96/19/35/575961935.db2.gz OGUAWMAUJUVQQO-UHFFFAOYSA-N -1 1 295.302 1.927 20 0 CDADMM Cc1ccccc1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737428417 575961939 /nfs/dbraw/zinc/96/19/39/575961939.db2.gz OGUAWMAUJUVQQO-UHFFFAOYSA-N -1 1 295.302 1.927 20 0 CDADMM CN(C(=O)[C@H]1CCCN1C)[C@H](C(=O)[O-])c1ccccc1 ZINC000737523719 575985633 /nfs/dbraw/zinc/98/56/33/575985633.db2.gz UXDUCLPYUTYAGD-OLZOCXBDSA-N -1 1 276.336 1.365 20 0 CDADMM Clc1cccc(CNc2nccnc2-c2nnn[n-]2)c1 ZINC000737575234 575994636 /nfs/dbraw/zinc/99/46/36/575994636.db2.gz NTSHHQHFIBAYGI-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM Clc1cccc(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000737575234 575994637 /nfs/dbraw/zinc/99/46/37/575994637.db2.gz NTSHHQHFIBAYGI-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM CSc1ccccc1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765396679 576016203 /nfs/dbraw/zinc/01/62/03/576016203.db2.gz SPCSDNGLKMOQQY-UHFFFAOYSA-N -1 1 279.321 1.187 20 0 CDADMM Cn1[n-]c(COC(=O)CCCc2ccccc2)nc1=O ZINC000765447294 576023574 /nfs/dbraw/zinc/02/35/74/576023574.db2.gz VQQULEPWAHNAMB-UHFFFAOYSA-N -1 1 275.308 1.175 20 0 CDADMM Cn1[n-]c(COC(=O)/C=C\C2CCCCC2)nc1=O ZINC000765478939 576028462 /nfs/dbraw/zinc/02/84/62/576028462.db2.gz JTTJOGOHIARRLB-FPLPWBNLSA-N -1 1 265.313 1.288 20 0 CDADMM Cc1ccc2[nH]cc(C(=O)OCc3nc(=O)n(C)[n-]3)c2c1 ZINC000765510410 576033534 /nfs/dbraw/zinc/03/35/34/576033534.db2.gz BFDJZTIOTWGDKX-UHFFFAOYSA-N -1 1 286.291 1.255 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1C/C=C/c1ccccc1 ZINC000738372848 576064052 /nfs/dbraw/zinc/06/40/52/576064052.db2.gz WXVNVYKMFULMQL-XBXARRHUSA-N -1 1 279.303 1.742 20 0 CDADMM Cc1cc(CN(C)CCN2CCOCC2)oc1C(=O)[O-] ZINC000738381742 576065495 /nfs/dbraw/zinc/06/54/95/576065495.db2.gz FXJVAYWVCZLHOG-UHFFFAOYSA-N -1 1 282.340 1.050 20 0 CDADMM Cc1oc(CN(C)C(=O)c2cnc[nH]2)cc1C(=O)[O-] ZINC000738967080 576143208 /nfs/dbraw/zinc/14/32/08/576143208.db2.gz MTXOUVSDEFCJNG-UHFFFAOYSA-N -1 1 263.253 1.282 20 0 CDADMM CN1N=C(C(=O)Nc2ccc(F)cc2[O-])CCC1=O ZINC000768259223 576267237 /nfs/dbraw/zinc/26/72/37/576267237.db2.gz SMPZPXVKXQEEOD-UHFFFAOYSA-N -1 1 265.244 1.078 20 0 CDADMM O=C(N[C@H](CCO)C1CC1)c1ccc([O-])c(F)c1 ZINC000768274569 576267699 /nfs/dbraw/zinc/26/76/99/576267699.db2.gz AOPZTZHFBZFASE-LLVKDONJSA-N -1 1 253.273 1.422 20 0 CDADMM O=C([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000768785472 576308293 /nfs/dbraw/zinc/30/82/93/576308293.db2.gz KLAPWTKRWPACGY-LLVKDONJSA-N -1 1 293.319 1.560 20 0 CDADMM CSC[C@](C)(O)CNC(=O)c1c([O-])cccc1Cl ZINC000743716384 576652293 /nfs/dbraw/zinc/65/22/93/576652293.db2.gz YNDBNCLWLRFHIC-GFCCVEGCSA-N -1 1 289.784 1.889 20 0 CDADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)OCCF ZINC000744933466 576706017 /nfs/dbraw/zinc/70/60/17/576706017.db2.gz QRUMCLBMHYVZKV-UHFFFAOYSA-N -1 1 292.270 1.003 20 0 CDADMM Cc1nonc1CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000747393544 576868262 /nfs/dbraw/zinc/86/82/62/576868262.db2.gz SHHAYLXRVRGPJV-UHFFFAOYSA-N -1 1 291.311 1.235 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2nnc(C3CCC3)[nH]2)C1 ZINC001601804311 1175014504 /nfs/dbraw/zinc/01/45/04/1175014504.db2.gz NBICKVIKEXZZRK-VHSXEESVSA-N -1 1 292.339 1.902 20 0 CDADMM CNC(=O)[C@H](C)CN(C)C(=O)c1c([O-])cccc1Cl ZINC000747944080 576889924 /nfs/dbraw/zinc/88/99/24/576889924.db2.gz NOTYRCORWQSDKE-MRVPVSSYSA-N -1 1 284.743 1.500 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2n[nH]c(C3CCC3)n2)C1 ZINC001601804311 1175014511 /nfs/dbraw/zinc/01/45/11/1175014511.db2.gz NBICKVIKEXZZRK-VHSXEESVSA-N -1 1 292.339 1.902 20 0 CDADMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccccc2C=O)o1 ZINC000751497776 577045953 /nfs/dbraw/zinc/04/59/53/577045953.db2.gz LLPAAOGNHKJSHS-MRVPVSSYSA-N -1 1 295.320 1.230 20 0 CDADMM CCC[C@H](NC(=O)[C@@H]1CSCCS1)c1nn[n-]n1 ZINC000758292278 577094673 /nfs/dbraw/zinc/09/46/73/577094673.db2.gz IWYSCBLLAOSLCX-YUMQZZPRSA-N -1 1 287.414 1.006 20 0 CDADMM COC(=O)C1(C[N-]C(=O)C(F)(F)F)CCCC1 ZINC000752665762 577118326 /nfs/dbraw/zinc/11/83/26/577118326.db2.gz GJKHZSSDZVEUKO-UHFFFAOYSA-N -1 1 253.220 1.398 20 0 CDADMM COC[C@@H](C)Sc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC000821682913 599125471 /nfs/dbraw/zinc/12/54/71/599125471.db2.gz QMSLKLUXEJTJLK-ZCFIWIBFSA-N -1 1 280.357 1.401 20 0 CDADMM CC(C)(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000095196408 599170136 /nfs/dbraw/zinc/17/01/36/599170136.db2.gz YVYUZTTTZBHREV-UHFFFAOYSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000095196408 599170138 /nfs/dbraw/zinc/17/01/38/599170138.db2.gz YVYUZTTTZBHREV-UHFFFAOYSA-N -1 1 287.371 1.919 20 0 CDADMM NC(=O)[C@@H](c1ccccc1)N1CCC(C(=O)[O-])CC1 ZINC000101256121 596920685 /nfs/dbraw/zinc/92/06/85/596920685.db2.gz GTXSMVGSEQOAJA-GFCCVEGCSA-N -1 1 262.309 1.010 20 0 CDADMM CCc1ccc(NC(=O)CN(C)CCC(=O)[O-])cc1 ZINC000037932963 597002385 /nfs/dbraw/zinc/00/23/85/597002385.db2.gz VGERLBBXLUJIDG-UHFFFAOYSA-N -1 1 264.325 1.594 20 0 CDADMM O=C([O-])c1cccc(CN2[C@@H](CO)CC[C@@H]2CO)c1Cl ZINC001602436836 1175239962 /nfs/dbraw/zinc/23/99/62/1175239962.db2.gz RMVHJFOZVHRHMR-GHMZBOCLSA-N -1 1 299.754 1.356 20 0 CDADMM C[C@H](CC(=O)[O-])N[C@@H](c1nccn1C)c1ccccc1 ZINC000820071979 598213496 /nfs/dbraw/zinc/21/34/96/598213496.db2.gz MCYFNIWCSPYKSF-BXUZGUMPSA-N -1 1 273.336 1.962 20 0 CDADMM Cc1ccn(Cc2ccc(F)cc2)c(=O)c1-c1nn[n-]n1 ZINC000095344729 607347322 /nfs/dbraw/zinc/34/73/22/607347322.db2.gz GVUDZUZJNGOVTJ-UHFFFAOYSA-N -1 1 285.282 1.524 20 0 CDADMM C[C@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC000095254924 598336259 /nfs/dbraw/zinc/33/62/59/598336259.db2.gz JHROWFARQREZIG-DTWKUNHWSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC000095254924 598336261 /nfs/dbraw/zinc/33/62/61/598336261.db2.gz JHROWFARQREZIG-DTWKUNHWSA-N -1 1 259.317 1.647 20 0 CDADMM CC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000095264049 598341848 /nfs/dbraw/zinc/34/18/48/598341848.db2.gz UYAWCPXDKZYMMV-VIFPVBQESA-N -1 1 259.317 1.283 20 0 CDADMM CC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000095264049 598341850 /nfs/dbraw/zinc/34/18/50/598341850.db2.gz UYAWCPXDKZYMMV-VIFPVBQESA-N -1 1 259.317 1.283 20 0 CDADMM O=C([O-])CN(Cc1nccn1C(F)F)C1CCOCC1 ZINC000833249068 600852915 /nfs/dbraw/zinc/85/29/15/600852915.db2.gz YOUFMJLHAMHBBR-UHFFFAOYSA-N -1 1 289.282 1.344 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCCC1CCCC1 ZINC000822903370 599316941 /nfs/dbraw/zinc/31/69/41/599316941.db2.gz KHJJTPITRCJBNJ-UHFFFAOYSA-N -1 1 289.343 1.646 20 0 CDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CC1CCCCC1 ZINC000020249865 599776861 /nfs/dbraw/zinc/77/68/61/599776861.db2.gz NWOSBRWFZGXVDB-LBPRGKRZSA-N -1 1 279.340 1.492 20 0 CDADMM CCc1ccc(NC(=O)CN(C)C[C@H](C)C(=O)[O-])cc1 ZINC000042705710 600370220 /nfs/dbraw/zinc/37/02/20/600370220.db2.gz GCLKYELSRDFQAE-NSHDSACASA-N -1 1 278.352 1.840 20 0 CDADMM Cc1ccc(S(=O)(=O)Nc2cnccc2C(=O)[O-])s1 ZINC000079701024 600513070 /nfs/dbraw/zinc/51/30/70/600513070.db2.gz MWXNQWPNATYYED-UHFFFAOYSA-N -1 1 298.345 1.951 20 0 CDADMM Cc1ccccc1S(=O)(=O)Nc1cnccc1C(=O)[O-] ZINC000088715481 600513624 /nfs/dbraw/zinc/51/36/24/600513624.db2.gz ZINYNCWBOIHDER-UHFFFAOYSA-N -1 1 292.316 1.889 20 0 CDADMM CCOC(=O)[C@@H](CC)N1CCC(CC(=O)[O-])CC1 ZINC000829823570 600819331 /nfs/dbraw/zinc/81/93/31/600819331.db2.gz XVPUTKFUSUUOPX-LLVKDONJSA-N -1 1 257.330 1.515 20 0 CDADMM Cc1cc(NC(=O)CN2[C@H](C)CC[C@@H]2C)c(C(=O)[O-])[nH]1 ZINC000832892439 600838397 /nfs/dbraw/zinc/83/83/97/600838397.db2.gz GYKBTNHJYNKIKO-AOOOYVTPSA-N -1 1 279.340 1.833 20 0 CDADMM O=C([O-])CCN(Cc1nc(C2CC2)no1)C1CCOCC1 ZINC000833235855 600859446 /nfs/dbraw/zinc/85/94/46/600859446.db2.gz HRURTERPKJCEMQ-UHFFFAOYSA-N -1 1 295.339 1.403 20 0 CDADMM CN(CCN1CCCC1=O)[C@@H](C(=O)[O-])c1ccccc1F ZINC000830781048 601009732 /nfs/dbraw/zinc/00/97/32/601009732.db2.gz FADYGIRGXOMOIZ-CQSZACIVSA-N -1 1 294.326 1.506 20 0 CDADMM CN(CC(=O)NC1(C(=O)[O-])CCCCCC1)C1CCC1 ZINC000830674200 601023138 /nfs/dbraw/zinc/02/31/38/601023138.db2.gz BANMOEWHMNURAX-UHFFFAOYSA-N -1 1 282.384 1.765 20 0 CDADMM COc1ccc(NC(=O)CN[C@](C)(C(=O)[O-])C2CC2)cc1 ZINC000832393817 601029461 /nfs/dbraw/zinc/02/94/61/601029461.db2.gz JGKRGOAEMMXQHP-HNNXBMFYSA-N -1 1 292.335 1.477 20 0 CDADMM CN(CC1CCCCC1)C(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000830718016 601031408 /nfs/dbraw/zinc/03/14/08/601031408.db2.gz JMSDUKWTRSCEKL-MRXNPFEDSA-N -1 1 296.411 1.868 20 0 CDADMM C[C@@H](C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)N(C)C ZINC000832798798 601136855 /nfs/dbraw/zinc/13/68/55/601136855.db2.gz MKGJEBCILXXQLX-GXSJLCMTSA-N -1 1 262.309 1.152 20 0 CDADMM CN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])C1CCC1 ZINC000830669672 601228177 /nfs/dbraw/zinc/22/81/77/601228177.db2.gz LSJVGSQOMCSKFA-AWEZNQCLSA-N -1 1 290.363 1.283 20 0 CDADMM O=C([O-])[C@@H]1CCN(CN2C(=O)[C@@H]3CCCCC[C@@H]32)C1 ZINC000819287353 601397664 /nfs/dbraw/zinc/39/76/64/601397664.db2.gz RLJFPVRJKVMMJW-UTUOFQBUSA-N -1 1 266.341 1.142 20 0 CDADMM C/C(=C/CN1CC[C@@](O)(C(F)(F)F)C1)C(=O)[O-] ZINC000310159394 601421453 /nfs/dbraw/zinc/42/14/53/601421453.db2.gz KRJYWEPHYNTPNO-HKQQGCEUSA-N -1 1 253.220 1.016 20 0 CDADMM C[C@H]1C[C@H](NC(=O)c2ccc(C(=O)[O-])s2)CN1C1CC1 ZINC000828185178 601506885 /nfs/dbraw/zinc/50/68/85/601506885.db2.gz VQXSRMMJIHHYAW-IUCAKERBSA-N -1 1 294.376 1.801 20 0 CDADMM C[C@H](c1nc(C2CC2)no1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828425328 601531047 /nfs/dbraw/zinc/53/10/47/601531047.db2.gz YUSXLGNDNJJYCR-NQMVMOMDSA-N -1 1 265.313 1.661 20 0 CDADMM CCc1ccccc1NC(=O)CN1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000830281873 601533133 /nfs/dbraw/zinc/53/31/33/601533133.db2.gz FROIJIOOHLHOMX-WCQYABFASA-N -1 1 290.363 1.840 20 0 CDADMM CCCc1noc(CN[C@@](C)(CC)CC(=O)[O-])n1 ZINC000829574236 601555105 /nfs/dbraw/zinc/55/51/05/601555105.db2.gz UDIVMAFEGWMOSW-LBPRGKRZSA-N -1 1 255.318 1.755 20 0 CDADMM C[C@H]1C[C@H](CCN2CCNC(=O)[C@H]2CC(=O)[O-])C[C@@H](C)C1 ZINC000828162766 601615108 /nfs/dbraw/zinc/61/51/08/601615108.db2.gz ZXCMSHPOLXMYMZ-ZOBORPQBSA-N -1 1 296.411 1.724 20 0 CDADMM Cc1cc(CC(=O)Nc2cccc(OCC(=O)[O-])c2)n[nH]1 ZINC000832883257 601660991 /nfs/dbraw/zinc/66/09/91/601660991.db2.gz JCLCKDSKTHJKBR-UHFFFAOYSA-N -1 1 289.291 1.363 20 0 CDADMM CCCN(C)CC(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000829457528 601783151 /nfs/dbraw/zinc/78/31/51/601783151.db2.gz AFIVAAJIADHSCL-UHFFFAOYSA-N -1 1 299.396 1.831 20 0 CDADMM CC(C)[C@@H](C)[S@@](=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824191460 607529221 /nfs/dbraw/zinc/52/92/21/607529221.db2.gz FJNURAJSGUWONK-HOGDKLEQSA-N -1 1 279.369 1.555 20 0 CDADMM CC(C)[C@@H](C)[S@@](=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824191460 607529222 /nfs/dbraw/zinc/52/92/22/607529222.db2.gz FJNURAJSGUWONK-HOGDKLEQSA-N -1 1 279.369 1.555 20 0 CDADMM Cc1cc(CN2CCSC[C@H]2CC(=O)[O-])on1 ZINC000091131418 601893557 /nfs/dbraw/zinc/89/35/57/601893557.db2.gz HBLZJLYNZUCZLX-SECBINFHSA-N -1 1 256.327 1.375 20 0 CDADMM C[C@]1(C(=O)[O-])CCN(Cc2nc(-c3ccccn3)no2)C1 ZINC000062935948 601949756 /nfs/dbraw/zinc/94/97/56/601949756.db2.gz CSTWCIMRVDFYDR-AWEZNQCLSA-N -1 1 288.307 1.428 20 0 CDADMM CCCCC[C@H](NC(=O)[C@H]1CCCc2[nH]ncc21)C(=O)[O-] ZINC000829312321 602020414 /nfs/dbraw/zinc/02/04/14/602020414.db2.gz UVNHJOSCFOJGIW-GWCFXTLKSA-N -1 1 293.367 1.979 20 0 CDADMM CCC[C@](C)(NC(=O)[C@@H]1CCCc2[nH]ncc21)C(=O)[O-] ZINC000829184607 602023093 /nfs/dbraw/zinc/02/30/93/602023093.db2.gz NMBYBMRFLRORKM-OTYXRUKQSA-N -1 1 279.340 1.589 20 0 CDADMM C[C@H](CC(=O)[O-])C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000827279755 602109536 /nfs/dbraw/zinc/10/95/36/602109536.db2.gz HLMUDADHXYLKIN-MFKMUULPSA-N -1 1 296.342 1.655 20 0 CDADMM CCN(CC)[C@H](CNC(=O)[C@H](C)CC(=O)[O-])c1ccco1 ZINC000829666831 602128696 /nfs/dbraw/zinc/12/86/96/602128696.db2.gz TXHIGUPBLQNFRJ-VXGBXAGGSA-N -1 1 296.367 1.890 20 0 CDADMM CC[C@@](C)(CC(=O)[O-])NCc1nc([C@H](C)OC)no1 ZINC000828671874 602220534 /nfs/dbraw/zinc/22/05/34/602220534.db2.gz HVKHXMVDSYOZJR-UFBFGSQYSA-N -1 1 271.317 1.510 20 0 CDADMM CCn1cc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])cn1 ZINC000061449517 604465757 /nfs/dbraw/zinc/46/57/57/604465757.db2.gz RVRMHYZTNOEOLD-OAHLLOKOSA-N -1 1 285.347 1.915 20 0 CDADMM C[C@H]1COCCCN1Cn1ncc2cc(C(=O)[O-])ccc21 ZINC000828508644 604773681 /nfs/dbraw/zinc/77/36/81/604773681.db2.gz HNJBZVNWPVUJRU-NSHDSACASA-N -1 1 289.335 1.803 20 0 CDADMM C[C@@H](C(=O)Nc1cncc(C(=O)[O-])c1)N1CCCCCC1 ZINC000826020570 604899589 /nfs/dbraw/zinc/89/95/89/604899589.db2.gz HFJDJGIXFYSYJZ-NSHDSACASA-N -1 1 291.351 1.983 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC1CCCC1 ZINC000833625682 605046865 /nfs/dbraw/zinc/04/68/65/605046865.db2.gz OCNBZZJEKONEHK-LBPRGKRZSA-N -1 1 297.399 1.367 20 0 CDADMM CC(C)n1cccc1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000036856073 605074352 /nfs/dbraw/zinc/07/43/52/605074352.db2.gz GOEZNYOJSFWFKZ-NSHDSACASA-N -1 1 290.323 1.218 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1CCCC1 ZINC000833621705 605105842 /nfs/dbraw/zinc/10/58/42/605105842.db2.gz NGKPAXYVWSVZSI-NSHDSACASA-N -1 1 268.357 1.184 20 0 CDADMM CCN1C[C@@H](C)N(C(=S)NCCCC(=O)[O-])C[C@H]1C ZINC000833658948 605116258 /nfs/dbraw/zinc/11/62/58/605116258.db2.gz WWGTYXLCOQMBGG-GHMZBOCLSA-N -1 1 287.429 1.140 20 0 CDADMM C[C@H]1CN(C(=O)C[C@@H]2C=CCC2)CCN1CCC(=O)[O-] ZINC000833618630 605251739 /nfs/dbraw/zinc/25/17/39/605251739.db2.gz PRZYATJUOZYCHX-QWHCGFSZSA-N -1 1 280.368 1.350 20 0 CDADMM C[C@@H]1CN(C(=O)/C=C\C(C)(C)C)CCN1CCC(=O)[O-] ZINC000833618206 605277075 /nfs/dbraw/zinc/27/70/75/605277075.db2.gz LURYFFDHOMOZBR-SMYYYNMVSA-N -1 1 282.384 1.596 20 0 CDADMM CC(C)(C)OC1CC(N2CC[C@@](F)(C(=O)[O-])C2)C1 ZINC000833445963 605317822 /nfs/dbraw/zinc/31/78/22/605317822.db2.gz KNVJMGNJNUVSJC-ZPPKWKGLSA-N -1 1 259.321 1.831 20 0 CDADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ncccn1 ZINC000021815385 605483230 /nfs/dbraw/zinc/48/32/30/605483230.db2.gz UDBGJAHSLYPJGS-UHFFFAOYSA-N -1 1 293.304 1.284 20 0 CDADMM O=C(NCC1(C2CC2)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000826433872 607769146 /nfs/dbraw/zinc/76/91/46/607769146.db2.gz UINUMTMKNFYSGW-UHFFFAOYSA-N -1 1 289.364 1.848 20 0 CDADMM O=C(NCC1(C2CC2)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000826433872 607769147 /nfs/dbraw/zinc/76/91/47/607769147.db2.gz UINUMTMKNFYSGW-UHFFFAOYSA-N -1 1 289.364 1.848 20 0 CDADMM C[C@@H](O)[C@@H]1CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000833527746 605698158 /nfs/dbraw/zinc/69/81/58/605698158.db2.gz LPZDGDAJZZKWKE-ZYHUDNBSSA-N -1 1 292.335 1.026 20 0 CDADMM CCC[C@@](C)(NC(=O)[C@H]1CCc2[nH]c(C)nc2C1)C(=O)[O-] ZINC000833648034 605779447 /nfs/dbraw/zinc/77/94/47/605779447.db2.gz NXDRPFOOKPEJFM-ZUZCIYMTSA-N -1 1 293.367 1.583 20 0 CDADMM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2F)C[C@@H]1O ZINC000388006040 605843163 /nfs/dbraw/zinc/84/31/63/605843163.db2.gz GYHBSAYVQNZEGF-UFBFGSQYSA-N -1 1 253.273 1.337 20 0 CDADMM COC1CCC(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC000821680082 606103895 /nfs/dbraw/zinc/10/38/95/606103895.db2.gz YVVJDFHKQQXITK-UHFFFAOYSA-N -1 1 289.343 1.274 20 0 CDADMM COC1CCC(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC000821680082 606103896 /nfs/dbraw/zinc/10/38/96/606103896.db2.gz YVVJDFHKQQXITK-UHFFFAOYSA-N -1 1 289.343 1.274 20 0 CDADMM O=C(Nc1c([O-])cccc1F)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823290530 606276772 /nfs/dbraw/zinc/27/67/72/606276772.db2.gz YKMDCOZKYBLTRQ-UHFFFAOYSA-N -1 1 288.242 1.292 20 0 CDADMM CO[C@@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000821697637 606425649 /nfs/dbraw/zinc/42/56/49/606425649.db2.gz JNLIWIYUCSZCAZ-SECBINFHSA-N -1 1 297.322 1.035 20 0 CDADMM CO[C@@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000821697637 606425650 /nfs/dbraw/zinc/42/56/50/606425650.db2.gz JNLIWIYUCSZCAZ-SECBINFHSA-N -1 1 297.322 1.035 20 0 CDADMM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)C[C@H](C)O ZINC000820475210 606569429 /nfs/dbraw/zinc/56/94/29/606569429.db2.gz ZGAQGJXLOHYWHO-SFYZADRCSA-N -1 1 295.368 1.065 20 0 CDADMM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)C[C@H](C)O ZINC000820475210 606569431 /nfs/dbraw/zinc/56/94/31/606569431.db2.gz ZGAQGJXLOHYWHO-SFYZADRCSA-N -1 1 295.368 1.065 20 0 CDADMM Cc1nnc(Oc2cccnc2F)c(-c2nn[n-]n2)c1C ZINC000822515570 606633548 /nfs/dbraw/zinc/63/35/48/606633548.db2.gz OIDLWVXNROFOAO-UHFFFAOYSA-N -1 1 287.258 1.600 20 0 CDADMM CCN(CC)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821197285 606840491 /nfs/dbraw/zinc/84/04/91/606840491.db2.gz IFQVLJFOHXNMQR-UHFFFAOYSA-N -1 1 299.331 1.036 20 0 CDADMM C[C@@]1(CNc2cccc(-c3nnn[n-]3)n2)CCCS1 ZINC000820623511 606946239 /nfs/dbraw/zinc/94/62/39/606946239.db2.gz SPGICMYAQMCZDZ-LBPRGKRZSA-N -1 1 276.369 1.959 20 0 CDADMM C[C@@]1(CNc2cccc(-c3nn[n-]n3)n2)CCCS1 ZINC000820623511 606946240 /nfs/dbraw/zinc/94/62/40/606946240.db2.gz SPGICMYAQMCZDZ-LBPRGKRZSA-N -1 1 276.369 1.959 20 0 CDADMM C[C@H]1CC[C@@H](CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000820684520 607092962 /nfs/dbraw/zinc/09/29/62/607092962.db2.gz QVXKWIJNROLQFV-DTWKUNHWSA-N -1 1 289.343 1.365 20 0 CDADMM C[C@H]1CC[C@@H](CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000820684520 607092964 /nfs/dbraw/zinc/09/29/64/607092964.db2.gz QVXKWIJNROLQFV-DTWKUNHWSA-N -1 1 289.343 1.365 20 0 CDADMM Cc1ccc(Oc2cccc(-c3nnn[n-]3)n2)cn1 ZINC000095324474 607897093 /nfs/dbraw/zinc/89/70/93/607897093.db2.gz LNRVQYCJIDODFK-UHFFFAOYSA-N -1 1 254.253 1.757 20 0 CDADMM Cc1ccc(Oc2cccc(-c3nn[n-]n3)n2)cn1 ZINC000095324474 607897094 /nfs/dbraw/zinc/89/70/94/607897094.db2.gz LNRVQYCJIDODFK-UHFFFAOYSA-N -1 1 254.253 1.757 20 0 CDADMM CN(Cc1cccs1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825986088 607987766 /nfs/dbraw/zinc/98/77/66/607987766.db2.gz NNGOLZRWVUJSIQ-UHFFFAOYSA-N -1 1 273.325 1.355 20 0 CDADMM CN(Cc1cccs1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825986088 607987767 /nfs/dbraw/zinc/98/77/67/607987767.db2.gz NNGOLZRWVUJSIQ-UHFFFAOYSA-N -1 1 273.325 1.355 20 0 CDADMM COc1ccccc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826220649 607987865 /nfs/dbraw/zinc/98/78/65/607987865.db2.gz VEGDSDLMZCWNOT-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM COc1ccccc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826220649 607987866 /nfs/dbraw/zinc/98/78/66/607987866.db2.gz VEGDSDLMZCWNOT-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM C[C@H](CO)CCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824434464 608005399 /nfs/dbraw/zinc/00/53/99/608005399.db2.gz KMRHYUGGBQKACX-QMMMGPOBSA-N -1 1 295.368 1.067 20 0 CDADMM C[C@H](CO)CCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824434464 608005400 /nfs/dbraw/zinc/00/54/00/608005400.db2.gz KMRHYUGGBQKACX-QMMMGPOBSA-N -1 1 295.368 1.067 20 0 CDADMM Cc1ccc(C(=O)Cn2ccnc2-c2nnn[n-]2)cc1C ZINC000826281553 608013371 /nfs/dbraw/zinc/01/33/71/608013371.db2.gz YVPORPCLQADKEE-UHFFFAOYSA-N -1 1 282.307 1.563 20 0 CDADMM Cc1ccc(C(=O)Cn2ccnc2-c2nn[n-]n2)cc1C ZINC000826281553 608013372 /nfs/dbraw/zinc/01/33/72/608013372.db2.gz YVPORPCLQADKEE-UHFFFAOYSA-N -1 1 282.307 1.563 20 0 CDADMM C[C@@H](OC(=O)c1sccc1-c1nn[n-]n1)C1CC1 ZINC000824728677 608182522 /nfs/dbraw/zinc/18/25/22/608182522.db2.gz GKPOJAQMBQIUAZ-ZCFIWIBFSA-N -1 1 264.310 1.884 20 0 CDADMM CC(C)[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CCO1 ZINC000824217052 608242719 /nfs/dbraw/zinc/24/27/19/608242719.db2.gz XOIVNRVWAHLBRY-ZJUUUORDSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CCO1 ZINC000824217052 608242721 /nfs/dbraw/zinc/24/27/21/608242721.db2.gz XOIVNRVWAHLBRY-ZJUUUORDSA-N -1 1 289.343 1.272 20 0 CDADMM C[C@@H](CO)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820286805 608292368 /nfs/dbraw/zinc/29/23/68/608292368.db2.gz FRKPJXRUULXPNJ-QMMMGPOBSA-N -1 1 270.296 1.208 20 0 CDADMM C[C@@H](CO)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820286805 608292370 /nfs/dbraw/zinc/29/23/70/608292370.db2.gz FRKPJXRUULXPNJ-QMMMGPOBSA-N -1 1 270.296 1.208 20 0 CDADMM C[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824938177 608388449 /nfs/dbraw/zinc/38/84/49/608388449.db2.gz UFMUZDXCAUKRHG-RKDXNWHRSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824938177 608388452 /nfs/dbraw/zinc/38/84/52/608388452.db2.gz UFMUZDXCAUKRHG-RKDXNWHRSA-N -1 1 259.317 1.647 20 0 CDADMM FC(F)(F)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826367462 608390902 /nfs/dbraw/zinc/39/09/02/608390902.db2.gz AAQGWOHOTQHAIS-SSDOTTSWSA-N -1 1 299.260 1.435 20 0 CDADMM FC(F)(F)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826367462 608390904 /nfs/dbraw/zinc/39/09/04/608390904.db2.gz AAQGWOHOTQHAIS-SSDOTTSWSA-N -1 1 299.260 1.435 20 0 CDADMM c1cc(CCNc2ccc(-c3nnn[n-]3)nn2)cs1 ZINC000826515872 608397060 /nfs/dbraw/zinc/39/70/60/608397060.db2.gz OBYMLWSOCIAJCU-UHFFFAOYSA-N -1 1 273.325 1.373 20 0 CDADMM c1cc(CCNc2ccc(-c3nn[n-]n3)nn2)cs1 ZINC000826515872 608397062 /nfs/dbraw/zinc/39/70/62/608397062.db2.gz OBYMLWSOCIAJCU-UHFFFAOYSA-N -1 1 273.325 1.373 20 0 CDADMM C[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824936293 608404463 /nfs/dbraw/zinc/40/44/63/608404463.db2.gz FQKQSUNCFLZNNJ-NXEZZACHSA-N -1 1 273.344 1.895 20 0 CDADMM C[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824936293 608404464 /nfs/dbraw/zinc/40/44/64/608404464.db2.gz FQKQSUNCFLZNNJ-NXEZZACHSA-N -1 1 273.344 1.895 20 0 CDADMM C(=Cc1ccccc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000823861976 608417335 /nfs/dbraw/zinc/41/73/35/608417335.db2.gz VYPAWJZCZLTKAR-DAXSKMNVSA-N -1 1 279.307 1.782 20 0 CDADMM C(=Cc1ccccc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000823861976 608417338 /nfs/dbraw/zinc/41/73/38/608417338.db2.gz VYPAWJZCZLTKAR-DAXSKMNVSA-N -1 1 279.307 1.782 20 0 CDADMM CS[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826226680 608420226 /nfs/dbraw/zinc/42/02/26/608420226.db2.gz DWCMPAKZENZXNR-IUCAKERBSA-N -1 1 291.384 1.743 20 0 CDADMM CS[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826226680 608420227 /nfs/dbraw/zinc/42/02/27/608420227.db2.gz DWCMPAKZENZXNR-IUCAKERBSA-N -1 1 291.384 1.743 20 0 CDADMM c1ccc2c(c1)SC[C@@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826524382 608422418 /nfs/dbraw/zinc/42/24/18/608422418.db2.gz SRCGFMYNKRDATQ-JTQLQIEISA-N -1 1 297.347 1.916 20 0 CDADMM c1ccc2c(c1)SC[C@@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826524382 608422420 /nfs/dbraw/zinc/42/24/20/608422420.db2.gz SRCGFMYNKRDATQ-JTQLQIEISA-N -1 1 297.347 1.916 20 0 CDADMM CC1(C)CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824801103 608556253 /nfs/dbraw/zinc/55/62/53/608556253.db2.gz ATVDKOIIWSZUOE-QMMMGPOBSA-N -1 1 259.317 1.647 20 0 CDADMM CC1(C)CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824801103 608556255 /nfs/dbraw/zinc/55/62/55/608556255.db2.gz ATVDKOIIWSZUOE-QMMMGPOBSA-N -1 1 259.317 1.647 20 0 CDADMM O=C(Cn1ccnc1-c1nnn[n-]1)C1CCCCC1 ZINC000826424727 608890419 /nfs/dbraw/zinc/89/04/19/608890419.db2.gz ABMPPUCPSZHUME-UHFFFAOYSA-N -1 1 260.301 1.213 20 0 CDADMM O=C(Cn1ccnc1-c1nn[n-]n1)C1CCCCC1 ZINC000826424727 608890420 /nfs/dbraw/zinc/89/04/20/608890420.db2.gz ABMPPUCPSZHUME-UHFFFAOYSA-N -1 1 260.301 1.213 20 0 CDADMM c1cn(Cc2cccc3nsnc32)c(-c2nnn[n-]2)n1 ZINC000826516517 608893411 /nfs/dbraw/zinc/89/34/11/608893411.db2.gz NNJAKPUVBZZNTG-UHFFFAOYSA-N -1 1 284.308 1.116 20 0 CDADMM c1cn(Cc2cccc3nsnc32)c(-c2nn[n-]n2)n1 ZINC000826516517 608893413 /nfs/dbraw/zinc/89/34/13/608893413.db2.gz NNJAKPUVBZZNTG-UHFFFAOYSA-N -1 1 284.308 1.116 20 0 CDADMM Cc1cnc([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)o1 ZINC000826317727 609436206 /nfs/dbraw/zinc/43/62/06/609436206.db2.gz LWAZROYGRZMOEI-SSDOTTSWSA-N -1 1 272.272 1.126 20 0 CDADMM Cc1cnc([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)o1 ZINC000826317727 609436209 /nfs/dbraw/zinc/43/62/09/609436209.db2.gz LWAZROYGRZMOEI-SSDOTTSWSA-N -1 1 272.272 1.126 20 0 CDADMM c1cc(NCC[C@H]2CCCCO2)nc(-c2nnn[n-]2)c1 ZINC000826517061 609582107 /nfs/dbraw/zinc/58/21/07/609582107.db2.gz OFHIMUWNVSQKJB-SNVBAGLBSA-N -1 1 274.328 1.633 20 0 CDADMM c1cc(NCC[C@H]2CCCCO2)nc(-c2nn[n-]n2)c1 ZINC000826517061 609582109 /nfs/dbraw/zinc/58/21/09/609582109.db2.gz OFHIMUWNVSQKJB-SNVBAGLBSA-N -1 1 274.328 1.633 20 0 CDADMM O=C(c1ccc([O-])cc1F)N1CC[C@@H](O)[C@H](F)C1 ZINC000890690569 617278144 /nfs/dbraw/zinc/27/81/44/617278144.db2.gz FKZFESGRAGTLJG-GHMZBOCLSA-N -1 1 257.236 1.076 20 0 CDADMM CSCC(C)(C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000890871260 617343604 /nfs/dbraw/zinc/34/36/04/617343604.db2.gz JSQYCYQFXFIEMX-UHFFFAOYSA-N -1 1 281.381 1.931 20 0 CDADMM CCOC(=O)[C@H]1CCCN(c2cc(=O)[n-]c(COC)n2)C1 ZINC000891425745 617389542 /nfs/dbraw/zinc/38/95/42/617389542.db2.gz CWALPZJFAARJLH-JTQLQIEISA-N -1 1 295.339 1.108 20 0 CDADMM CC(C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000978741937 613944899 /nfs/dbraw/zinc/94/48/99/613944899.db2.gz MCOIAXNUNMKOFW-PHIMTYICSA-N -1 1 291.351 1.068 20 0 CDADMM CC(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000966172397 614398268 /nfs/dbraw/zinc/39/82/68/614398268.db2.gz OWGILDDGPPSSJN-MNOVXSKESA-N -1 1 291.351 1.020 20 0 CDADMM CC[C@H](C)OCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891621798 617509869 /nfs/dbraw/zinc/50/98/69/617509869.db2.gz MCGBKAZGNQNMNU-VIFPVBQESA-N -1 1 279.340 1.815 20 0 CDADMM CO[C@@H](C)CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891624002 617510544 /nfs/dbraw/zinc/51/05/44/617510544.db2.gz NMOKLCBHVDFVKJ-QMMMGPOBSA-N -1 1 265.313 1.425 20 0 CDADMM COCc1nc(N[C@H](C)CCSC)cc(=O)[n-]1 ZINC000892606103 617531655 /nfs/dbraw/zinc/53/16/55/617531655.db2.gz YFGSFFAJAXMUBK-MRVPVSSYSA-N -1 1 257.359 1.882 20 0 CDADMM COCc1nc(N[C@H](CO)Cc2ccccc2)cc(=O)[n-]1 ZINC000891795236 617593695 /nfs/dbraw/zinc/59/36/95/617593695.db2.gz FNHULGVIHZJIGZ-LBPRGKRZSA-N -1 1 289.335 1.344 20 0 CDADMM CC(C)CC1(C[N-]S(=O)(=O)N=S(C)(C)=O)CCC1 ZINC000866947792 620742096 /nfs/dbraw/zinc/74/20/96/620742096.db2.gz CXHIUGNHMQEEFX-UHFFFAOYSA-N -1 1 296.458 1.765 20 0 CDADMM COCc1nc(N[C@@H]2CCCSC2)cc(=O)[n-]1 ZINC000892812299 617777802 /nfs/dbraw/zinc/77/78/02/617777802.db2.gz KNCANCOJSJYXIM-MRVPVSSYSA-N -1 1 255.343 1.636 20 0 CDADMM Cc1[nH]nc(C(=O)N2CCc3ncc(C)cc32)c1[O-] ZINC000888143118 620768122 /nfs/dbraw/zinc/76/81/22/620768122.db2.gz IGXRLTXAHWWXBJ-UHFFFAOYSA-N -1 1 258.281 1.330 20 0 CDADMM COCc1nc(NCC[C@H](C)CCO)cc(=O)[n-]1 ZINC000894010735 618240758 /nfs/dbraw/zinc/24/07/58/618240758.db2.gz IVBLXOZYJIFYRP-VIFPVBQESA-N -1 1 255.318 1.149 20 0 CDADMM CSc1ccc(CN[C@H](C(=O)[O-])[C@@H]2CCCOC2)o1 ZINC000901827710 618275360 /nfs/dbraw/zinc/27/53/60/618275360.db2.gz JAJIFZVCHRGHGJ-SKDRFNHKSA-N -1 1 285.365 1.971 20 0 CDADMM C[C@@H]1C[N@@H+](Cc2cccc3ncccc23)C[C@@H](C(=O)[O-])O1 ZINC000901935208 618374445 /nfs/dbraw/zinc/37/44/45/618374445.db2.gz YSZOXGBXUOBJHX-ABAIWWIYSA-N -1 1 286.331 1.909 20 0 CDADMM C[C@@H]1CN(Cc2cccc3ncccc23)C[C@@H](C(=O)[O-])O1 ZINC000901935208 618374452 /nfs/dbraw/zinc/37/44/52/618374452.db2.gz YSZOXGBXUOBJHX-ABAIWWIYSA-N -1 1 286.331 1.909 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000901992815 618436246 /nfs/dbraw/zinc/43/62/46/618436246.db2.gz MMGGEWCIXNRGPE-CNVPUSNMSA-N -1 1 291.351 1.540 20 0 CDADMM C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NC1(CC(=O)[O-])CCC1 ZINC000902003403 618477527 /nfs/dbraw/zinc/47/75/27/618477527.db2.gz ABSLAQACCMSPNO-RNCFNFMXSA-N -1 1 291.351 1.589 20 0 CDADMM CCCN1CCC[C@H]1C(=O)NCc1ncc(C(=O)[O-])s1 ZINC000910818833 618508621 /nfs/dbraw/zinc/50/86/21/618508621.db2.gz YGHPEPTUMCGJGC-VIFPVBQESA-N -1 1 297.380 1.332 20 0 CDADMM CO[C@@H]1CCN(Cc2cc(C)oc2C)[C@@H](C(=O)[O-])C1 ZINC000902032396 618531229 /nfs/dbraw/zinc/53/12/29/618531229.db2.gz RCCNPFWGQKKGRB-CHWSQXEVSA-N -1 1 267.325 1.960 20 0 CDADMM CN1CCCC[C@H]1C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000902083488 618547645 /nfs/dbraw/zinc/54/76/45/618547645.db2.gz HGNLSZVSZNRJHM-BBRMVZONSA-N -1 1 290.363 1.587 20 0 CDADMM C[C@@H]1CN(Cc2nnc3n2CCCCC3)C[C@H]1C(=O)[O-] ZINC000828463434 618622961 /nfs/dbraw/zinc/62/29/61/618622961.db2.gz PLJLCQRZQSIKKC-GHMZBOCLSA-N -1 1 278.356 1.157 20 0 CDADMM C[C@@H]1CN(Cc2nc(CC(F)(F)F)no2)C[C@@H]1C(=O)[O-] ZINC000828464974 618623017 /nfs/dbraw/zinc/62/30/17/618623017.db2.gz WWHQGBNKYAXBEH-RQJHMYQMSA-N -1 1 293.245 1.327 20 0 CDADMM COCc1nc(NCC2(COC)CC2)cc(=O)[n-]1 ZINC000894426051 618880475 /nfs/dbraw/zinc/88/04/75/618880475.db2.gz AQCYRIUREYQAER-UHFFFAOYSA-N -1 1 253.302 1.167 20 0 CDADMM O=c1nc(N[C@@H]2CCOC23CCOCC3)cc(Cl)[n-]1 ZINC000897329058 620505384 /nfs/dbraw/zinc/50/53/84/620505384.db2.gz WMAGSMUQUQJVOR-MRVPVSSYSA-N -1 1 285.731 1.586 20 0 CDADMM COCc1cc(NC(=O)[C@@H]2CCCN2C)cc(C(=O)[O-])c1 ZINC000909627170 620519788 /nfs/dbraw/zinc/51/97/88/620519788.db2.gz PKNCFODCGSMMJL-ZDUSSCGKSA-N -1 1 292.335 1.564 20 0 CDADMM CC[C@@H](CNC(=O)c1cccc2nc(C)[nH]c21)C(=O)[O-] ZINC000902842467 625498378 /nfs/dbraw/zinc/49/83/78/625498378.db2.gz GQVKROCLXKHCJO-VIFPVBQESA-N -1 1 275.308 1.712 20 0 CDADMM COCCOC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000787956319 621597811 /nfs/dbraw/zinc/59/78/11/621597811.db2.gz DCXNYBLBFIROJL-UHFFFAOYSA-N -1 1 280.255 1.520 20 0 CDADMM CCC1CCC(NCC(=O)NC2CC2)(C(=O)[O-])CC1 ZINC000041805696 621711696 /nfs/dbraw/zinc/71/16/96/621711696.db2.gz OGRDWKVCNQISPK-UHFFFAOYSA-N -1 1 268.357 1.278 20 0 CDADMM O=C([N-]Oc1ccc(F)cc1)C1CCC(O)CC1 ZINC000898574691 621798998 /nfs/dbraw/zinc/79/89/98/621798998.db2.gz NOBUCHVVCBNIAQ-UHFFFAOYSA-N -1 1 253.273 1.787 20 0 CDADMM O=C(c1cncc([O-])c1)N1CCC[C@@H](c2ncccn2)C1 ZINC000899528162 622300503 /nfs/dbraw/zinc/30/05/03/622300503.db2.gz OTIUCGLQQJFUFS-LLVKDONJSA-N -1 1 284.319 1.597 20 0 CDADMM C[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1cccnc1 ZINC000899981222 622595360 /nfs/dbraw/zinc/59/53/60/622595360.db2.gz PQPRCCHVFASYTE-SECBINFHSA-N -1 1 284.319 1.946 20 0 CDADMM C[C@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)CCCO1 ZINC000900528454 623205214 /nfs/dbraw/zinc/20/52/14/623205214.db2.gz SCZHGKBISFIBON-VIFPVBQESA-N -1 1 277.324 1.311 20 0 CDADMM CC(C)(NC(=O)c1cnc(C2CC2)[n-]c1=O)C1CC1 ZINC000900834298 623550461 /nfs/dbraw/zinc/55/04/61/623550461.db2.gz YDIJISXYAYXSRD-UHFFFAOYSA-N -1 1 261.325 1.978 20 0 CDADMM C[C@@H]1CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)[C@H]1C ZINC000900947752 623659323 /nfs/dbraw/zinc/65/93/23/623659323.db2.gz WBMSLVFDHMJAGD-BDAKNGLRSA-N -1 1 261.325 1.930 20 0 CDADMM CCCC[C@@H](NC(=O)c1cccc2nc[nH]c21)C(=O)[O-] ZINC000901487890 624288780 /nfs/dbraw/zinc/28/87/80/624288780.db2.gz BSRLWRFMFUNLSN-LLVKDONJSA-N -1 1 275.308 1.936 20 0 CDADMM O=C([O-])[C@@H]1CCCN(C(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000901501145 624303465 /nfs/dbraw/zinc/30/34/65/624303465.db2.gz URKOSRTXVYSGOC-MRVPVSSYSA-N -1 1 291.282 1.639 20 0 CDADMM Cc1nc2c(cccc2C(=O)N2CCC[C@@H](C(=O)[O-])C2)[nH]1 ZINC000901501675 624304653 /nfs/dbraw/zinc/30/46/53/624304653.db2.gz VYRJLCFAFXIGHU-SNVBAGLBSA-N -1 1 287.319 1.808 20 0 CDADMM COc1ccc(CN2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000901516053 624330473 /nfs/dbraw/zinc/33/04/73/624330473.db2.gz PGLFGYWBACDIKN-ZDUSSCGKSA-N -1 1 253.273 1.694 20 0 CDADMM Cc1cc(C2CCN(C(=O)[C@]3(C(=O)[O-])C[C@H]3C)CC2)n[nH]1 ZINC000901628242 624380521 /nfs/dbraw/zinc/38/05/21/624380521.db2.gz ZMXCVMJSITZGRF-PSLIRLAXSA-N -1 1 291.351 1.535 20 0 CDADMM CCO[C@@H]1C[C@H](NCc2cc(C(=O)[O-])no2)C12CCC2 ZINC000902310168 624661705 /nfs/dbraw/zinc/66/17/05/624661705.db2.gz IYPGXTUWOMGPJL-NWDGAFQWSA-N -1 1 280.324 1.810 20 0 CDADMM C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000902409056 624733748 /nfs/dbraw/zinc/73/37/48/624733748.db2.gz IMEUFRMUQJFWCD-NHCYSSNCSA-N -1 1 291.351 1.399 20 0 CDADMM CC(C)(C)N1CC[C@H](NCc2csc(C(=O)[O-])c2)C1=O ZINC000902466643 624859111 /nfs/dbraw/zinc/85/91/11/624859111.db2.gz BSHOUAPBZRJTAE-JTQLQIEISA-N -1 1 296.392 1.935 20 0 CDADMM CO[C@@H]1CN(C[C@@H]2CCC3(CCC3)CO2)[C@](C)(C(=O)[O-])C1 ZINC000903608522 626033873 /nfs/dbraw/zinc/03/38/73/626033873.db2.gz WEMMACXJZUPOKY-YDHLFZDLSA-N -1 1 297.395 1.900 20 0 CDADMM CC(C)c1nc(CN2CC(F)(F)C[C@H]2C(=O)[O-])n[nH]1 ZINC000903614944 626037140 /nfs/dbraw/zinc/03/71/40/626037140.db2.gz MQVWZYMLRSTJIK-ZETCQYMHSA-N -1 1 274.271 1.222 20 0 CDADMM O=C([O-])c1ccc(CN2CC[C@@](O)(C(F)F)C2)s1 ZINC000903689707 626051465 /nfs/dbraw/zinc/05/14/65/626051465.db2.gz MIDPCUIHPNYQHN-NSHDSACASA-N -1 1 277.292 1.648 20 0 CDADMM CCOCCN1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000903957223 626158390 /nfs/dbraw/zinc/15/83/90/626158390.db2.gz OHESKTRBBBKBFA-UHFFFAOYSA-N -1 1 265.309 1.616 20 0 CDADMM Cc1nonc1CN1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]1C ZINC000903947906 626164069 /nfs/dbraw/zinc/16/40/69/626164069.db2.gz ATXIKSBXCRZDSL-AHKPZJBNSA-N -1 1 267.329 1.698 20 0 CDADMM CCCn1nccc1C=Cc1ncc(OC)c(=O)[n-]1 ZINC000905076900 626618892 /nfs/dbraw/zinc/61/88/92/626618892.db2.gz NHBRLNFMOKIRTD-PLNGDYQASA-N -1 1 260.297 1.968 20 0 CDADMM COC(=O)c1c[n-]c(S(=O)(=O)CC=C(Cl)Cl)n1 ZINC000905251141 626705349 /nfs/dbraw/zinc/70/53/49/626705349.db2.gz BAXXBJDTKLLWLK-UHFFFAOYSA-N -1 1 299.135 1.289 20 0 CDADMM CSC[C@@H](O)CN(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000905370118 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/nfs/dbraw/zinc/31/50/91/1163315091.db2.gz ZVBUTTGFFYTIEQ-UHFFFAOYSA-N -1 1 262.701 1.382 20 0 CDADMM C[C@H]1CCc2n[nH]c(C(=O)OC3(C(=O)[O-])CC3)c2C1 ZINC001604763308 1163317116 /nfs/dbraw/zinc/31/71/16/1163317116.db2.gz MBOCIEZOOARCRH-ZETCQYMHSA-N -1 1 264.281 1.309 20 0 CDADMM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccccc2)CC[S@@](=O)C1 ZINC001604785950 1163321957 /nfs/dbraw/zinc/32/19/57/1163321957.db2.gz IWNVYNGANYYEFT-MJCKAROISA-N -1 1 281.377 1.513 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@]1(C)CC=CCC1 ZINC001604787671 1163324326 /nfs/dbraw/zinc/32/43/26/1163324326.db2.gz DZWNKSHIHZWEQB-XJKSGUPXSA-N -1 1 294.395 1.740 20 0 CDADMM C[C@H]1CSCCC[N@H+]1Cc1oncc1C(=O)[O-] ZINC001604826102 1163343643 /nfs/dbraw/zinc/34/36/43/1163343643.db2.gz YVUYNJXVFUJNGN-QMMMGPOBSA-N -1 1 256.327 1.700 20 0 CDADMM CC[C@@](C)(NC(=O)c1ccc(-c2nnc[nH]2)cc1)C(=O)[O-] ZINC001604910992 1163377551 /nfs/dbraw/zinc/37/75/51/1163377551.db2.gz FEBMYJHKEJEDQR-CQSZACIVSA-N -1 1 288.307 1.455 20 0 CDADMM COC(C)(C)CCOC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001604995280 1163408321 /nfs/dbraw/zinc/40/83/21/1163408321.db2.gz DXZLWNGXVMVXHP-UHFFFAOYSA-N -1 1 291.311 1.234 20 0 CDADMM COC(C)(C)CCOC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001604995280 1163408324 /nfs/dbraw/zinc/40/83/24/1163408324.db2.gz DXZLWNGXVMVXHP-UHFFFAOYSA-N -1 1 291.311 1.234 20 0 CDADMM CC[C@H](CO)N(C)CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001605043485 1163428428 /nfs/dbraw/zinc/42/84/28/1163428428.db2.gz UOMGZSPYZKPXFU-GFCCVEGCSA-N -1 1 294.351 1.334 20 0 CDADMM COC[C@H](NC(=O)c1cc(-c2nnn[n-]2)oc1C)C(C)C ZINC001605057669 1163435407 /nfs/dbraw/zinc/43/54/07/1163435407.db2.gz JYMGASOJKUBJOO-JTQLQIEISA-N -1 1 293.327 1.169 20 0 CDADMM COC[C@H](NC(=O)c1cc(-c2nn[n-]n2)oc1C)C(C)C ZINC001605057669 1163435410 /nfs/dbraw/zinc/43/54/10/1163435410.db2.gz JYMGASOJKUBJOO-JTQLQIEISA-N -1 1 293.327 1.169 20 0 CDADMM COc1ccc(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)cc1 ZINC001605288627 1163516450 /nfs/dbraw/zinc/51/64/50/1163516450.db2.gz APULMJLYSRTKBJ-UHFFFAOYSA-N -1 1 297.318 1.394 20 0 CDADMM Cc1cc(NC[C@H]2CCC[C@@H](O)C2)nc(-c2nnn[n-]2)c1 ZINC001605732059 1163656210 /nfs/dbraw/zinc/65/62/10/1163656210.db2.gz TUJGRYMVHGCIRP-WDEREUQCSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1cc(NC[C@H]2CCC[C@@H](O)C2)nc(-c2nn[n-]n2)c1 ZINC001605732059 1163656214 /nfs/dbraw/zinc/65/62/14/1163656214.db2.gz TUJGRYMVHGCIRP-WDEREUQCSA-N -1 1 288.355 1.533 20 0 CDADMM CC[C@@H](C(=O)Nc1sccc1C(=O)[O-])N(C)C ZINC001605747250 1163657003 /nfs/dbraw/zinc/65/70/03/1163657003.db2.gz QWTQYRXTFXTZNA-QMMMGPOBSA-N -1 1 256.327 1.725 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@@H]1CCS[C@H]1C ZINC001605804345 1163677505 /nfs/dbraw/zinc/67/75/05/1163677505.db2.gz JFSVXQPTPNSNJY-DTWKUNHWSA-N -1 1 276.369 1.876 20 0 CDADMM CCc1nocc1CN1[C@@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001605880266 1163704307 /nfs/dbraw/zinc/70/43/07/1163704307.db2.gz MZUMDCQVHOZJJW-QQUHWDOBSA-N -1 1 294.351 1.832 20 0 CDADMM CCc1oc(CN2CC[C@H](C)[C@@H](O)C2)cc1C(=O)[O-] ZINC001605890687 1163708551 /nfs/dbraw/zinc/70/85/51/1163708551.db2.gz UDVYXPBUCBMNSW-CABZTGNLSA-N -1 1 267.325 1.743 20 0 CDADMM Cc1cccc(C)c1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001605907766 1163711835 /nfs/dbraw/zinc/71/18/35/1163711835.db2.gz NKVUTYBUVYMGNA-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1cccc(C)c1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001605907766 1163711839 /nfs/dbraw/zinc/71/18/39/1163711839.db2.gz NKVUTYBUVYMGNA-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1cccc([C@@H](O)CNc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001605907680 1163711854 /nfs/dbraw/zinc/71/18/54/1163711854.db2.gz MMCHNNMYUMNLCU-LBPRGKRZSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1cccc([C@@H](O)CNc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001605907680 1163711865 /nfs/dbraw/zinc/71/18/65/1163711865.db2.gz MMCHNNMYUMNLCU-LBPRGKRZSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1[nH]nc(NCc2cccc3c2CCC3)c1-c1nnn[n-]1 ZINC001606014078 1163744763 /nfs/dbraw/zinc/74/47/63/1163744763.db2.gz PHCNOGRLXKXTEH-UHFFFAOYSA-N -1 1 295.350 1.999 20 0 CDADMM Cc1[nH]nc(NCc2cccc3c2CCC3)c1-c1nn[n-]n1 ZINC001606014078 1163744765 /nfs/dbraw/zinc/74/47/65/1163744765.db2.gz PHCNOGRLXKXTEH-UHFFFAOYSA-N -1 1 295.350 1.999 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(CC(F)F)C1CC1 ZINC001606165182 1163794990 /nfs/dbraw/zinc/79/49/90/1163794990.db2.gz PJSYFWMYVIWBAA-UHFFFAOYSA-N -1 1 297.265 1.638 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(CC(F)F)C1CC1 ZINC001606165182 1163794999 /nfs/dbraw/zinc/79/49/99/1163794999.db2.gz PJSYFWMYVIWBAA-UHFFFAOYSA-N -1 1 297.265 1.638 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@]1(C)CCOC1 ZINC001606169609 1163797287 /nfs/dbraw/zinc/79/72/87/1163797287.db2.gz PHEFZHRXSQBGDV-GFCCVEGCSA-N -1 1 278.268 1.104 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@]1(C)CCOC1 ZINC001606169609 1163797294 /nfs/dbraw/zinc/79/72/94/1163797294.db2.gz PHEFZHRXSQBGDV-GFCCVEGCSA-N -1 1 278.268 1.104 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCC(F)(F)F ZINC001606170629 1163797380 /nfs/dbraw/zinc/79/73/80/1163797380.db2.gz LAHGLSUDFFWKQT-UHFFFAOYSA-N -1 1 290.201 1.877 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCC(F)(F)F ZINC001606170629 1163797383 /nfs/dbraw/zinc/79/73/83/1163797383.db2.gz LAHGLSUDFFWKQT-UHFFFAOYSA-N -1 1 290.201 1.877 20 0 CDADMM FC(F)[C@@H]1CCN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001606296948 1163841905 /nfs/dbraw/zinc/84/19/05/1163841905.db2.gz QNPDLWPUDTYPFY-LURJTMIESA-N -1 1 272.284 1.163 20 0 CDADMM FC(F)[C@@H]1CCN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001606296948 1163841911 /nfs/dbraw/zinc/84/19/11/1163841911.db2.gz QNPDLWPUDTYPFY-LURJTMIESA-N -1 1 272.284 1.163 20 0 CDADMM CNc1ccc(C)cc1CN1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001606310930 1163854147 /nfs/dbraw/zinc/85/41/47/1163854147.db2.gz FDTDKZIIDVEVJC-YPMHNXCESA-N -1 1 264.325 1.057 20 0 CDADMM Fc1cccc2c1CCN2c1nccnc1-c1nnn[n-]1 ZINC001606332154 1163864286 /nfs/dbraw/zinc/86/42/86/1163864286.db2.gz IEBRPVVTOSXFJP-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM Fc1cccc2c1CCN2c1nccnc1-c1nn[n-]n1 ZINC001606332154 1163864293 /nfs/dbraw/zinc/86/42/93/1163864293.db2.gz IEBRPVVTOSXFJP-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM Fc1ccccc1CCCNc1cncc(-c2nnn[n-]2)n1 ZINC001606336158 1163867270 /nfs/dbraw/zinc/86/72/70/1163867270.db2.gz WFJBFKNJRGWYFG-UHFFFAOYSA-N -1 1 299.313 1.841 20 0 CDADMM Fc1ccccc1CCCNc1cncc(-c2nn[n-]n2)n1 ZINC001606336158 1163867280 /nfs/dbraw/zinc/86/72/80/1163867280.db2.gz WFJBFKNJRGWYFG-UHFFFAOYSA-N -1 1 299.313 1.841 20 0 CDADMM O=C(NC1CCC2(CC2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606657942 1163949271 /nfs/dbraw/zinc/94/92/71/1163949271.db2.gz PVNRESYAWXLYHK-UHFFFAOYSA-N -1 1 298.350 1.714 20 0 CDADMM O=C(NC1CCC2(CC2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606657942 1163949274 /nfs/dbraw/zinc/94/92/74/1163949274.db2.gz PVNRESYAWXLYHK-UHFFFAOYSA-N -1 1 298.350 1.714 20 0 CDADMM O=C(NCC1CCCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001606727692 1163974947 /nfs/dbraw/zinc/97/49/47/1163974947.db2.gz SIAMJTOZFSPHHP-UHFFFAOYSA-N -1 1 261.285 1.380 20 0 CDADMM O=C(NCC1CCCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001606727692 1163974952 /nfs/dbraw/zinc/97/49/52/1163974952.db2.gz SIAMJTOZFSPHHP-UHFFFAOYSA-N -1 1 261.285 1.380 20 0 CDADMM O=C(NCC=Cc1cccnc1)c1ccc(-c2nnn[n-]2)o1 ZINC001606751834 1163983654 /nfs/dbraw/zinc/98/36/54/1163983654.db2.gz BITBOIYEEWLBHP-RQOWECAXSA-N -1 1 296.290 1.298 20 0 CDADMM O=C(NCC=Cc1cccnc1)c1ccc(-c2nn[n-]n2)o1 ZINC001606751834 1163983658 /nfs/dbraw/zinc/98/36/58/1163983658.db2.gz BITBOIYEEWLBHP-RQOWECAXSA-N -1 1 296.290 1.298 20 0 CDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)C1CCC=CCC1 ZINC001606842098 1164011533 /nfs/dbraw/zinc/01/15/33/1164011533.db2.gz HPHOSTSLGVLGSV-UHFFFAOYSA-N -1 1 298.350 1.624 20 0 CDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)C1CCC=CCC1 ZINC001606842098 1164011538 /nfs/dbraw/zinc/01/15/38/1164011538.db2.gz HPHOSTSLGVLGSV-UHFFFAOYSA-N -1 1 298.350 1.624 20 0 CDADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@H]1C[C@@H]1C1CC1 ZINC001606979439 1164046777 /nfs/dbraw/zinc/04/67/77/1164046777.db2.gz ZHICKHCWINLZDT-ZJUUUORDSA-N -1 1 274.280 1.549 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@H]1C[C@@H]1C1CC1 ZINC001606979439 1164046783 /nfs/dbraw/zinc/04/67/83/1164046783.db2.gz ZHICKHCWINLZDT-ZJUUUORDSA-N -1 1 274.280 1.549 20 0 CDADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCCC2(CC2)C1 ZINC001607027618 1164062646 /nfs/dbraw/zinc/06/26/46/1164062646.db2.gz OJKYCGXTHDFRFY-UHFFFAOYSA-N -1 1 289.364 1.944 20 0 CDADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCCC2(CC2)C1 ZINC001607027618 1164062651 /nfs/dbraw/zinc/06/26/51/1164062651.db2.gz OJKYCGXTHDFRFY-UHFFFAOYSA-N -1 1 289.364 1.944 20 0 CDADMM c1cc(N2CC[C@@H](C3CCCC3)C2)nnc1-c1nnn[n-]1 ZINC001607120201 1164103971 /nfs/dbraw/zinc/10/39/71/1164103971.db2.gz QJYKZMXGLMOHHG-LLVKDONJSA-N -1 1 285.355 1.673 20 0 CDADMM c1cc(N2CC[C@@H](C3CCCC3)C2)nnc1-c1nn[n-]n1 ZINC001607120201 1164103977 /nfs/dbraw/zinc/10/39/77/1164103977.db2.gz QJYKZMXGLMOHHG-LLVKDONJSA-N -1 1 285.355 1.673 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@@H]2CC[C@@H](C3CC3)O2)c1 ZINC001607133340 1164111889 /nfs/dbraw/zinc/11/18/89/1164111889.db2.gz CYVUNZJGGYMXBN-JQWIXIFHSA-N -1 1 286.339 1.631 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@@H]2CC[C@@H](C3CC3)O2)c1 ZINC001607133340 1164111896 /nfs/dbraw/zinc/11/18/96/1164111896.db2.gz CYVUNZJGGYMXBN-JQWIXIFHSA-N -1 1 286.339 1.631 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NC[C@H]1CCC[C@@H]1C1CC1 ZINC001607136980 1164116506 /nfs/dbraw/zinc/11/65/06/1164116506.db2.gz XUBYTGQFXVVDMC-GHMZBOCLSA-N -1 1 285.355 1.895 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NC[C@H]1CCC[C@@H]1C1CC1 ZINC001607136980 1164116508 /nfs/dbraw/zinc/11/65/08/1164116508.db2.gz XUBYTGQFXVVDMC-GHMZBOCLSA-N -1 1 285.355 1.895 20 0 CDADMM c1nc(-c2nn[n-]n2)ncc1OC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001607137612 1164116607 /nfs/dbraw/zinc/11/66/07/1164116607.db2.gz XQCDLOURADDFPX-KXUCPTDWSA-N -1 1 272.312 1.472 20 0 CDADMM C[C@H](C(=O)[O-])N(C)Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC001607451534 1164186777 /nfs/dbraw/zinc/18/67/77/1164186777.db2.gz USXKVPUKVRUCQR-SECBINFHSA-N -1 1 297.355 1.280 20 0 CDADMM C[C@H]1CN(C[C@H]2CCCCC2(F)F)C[C@@H](C(=O)[O-])O1 ZINC001607475956 1164194452 /nfs/dbraw/zinc/19/44/52/1164194452.db2.gz AFKOSCFSBHJICY-AXFHLTTASA-N -1 1 277.311 1.986 20 0 CDADMM Cc1cc(CNCc2ccc(OCC(=O)[O-])cc2)ncn1 ZINC001607648065 1164256779 /nfs/dbraw/zinc/25/67/79/1164256779.db2.gz BZAOOJIPUBIPGT-UHFFFAOYSA-N -1 1 287.319 1.538 20 0 CDADMM Cc1nc(CC(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)n[nH]1 ZINC001607936946 1164345663 /nfs/dbraw/zinc/34/56/63/1164345663.db2.gz PVCRDKCJUQUSIS-CQSZACIVSA-N -1 1 294.355 1.195 20 0 CDADMM Cn1c(C(=O)[O-])ccc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC001608082043 1164402276 /nfs/dbraw/zinc/40/22/76/1164402276.db2.gz BPWZGQQMIAKJNB-SECBINFHSA-N -1 1 288.307 1.254 20 0 CDADMM Cn1ccnc1[C@@H]1CCCN(Cc2cc(C(=O)[O-])no2)C1 ZINC001608133616 1164420523 /nfs/dbraw/zinc/42/05/23/1164420523.db2.gz LIRSLZPYIAMLIQ-SNVBAGLBSA-N -1 1 290.323 1.486 20 0 CDADMM O=C([O-])C(=O)CCCSc1nc(-c2cccnc2)n[nH]1 ZINC001608528649 1164533240 /nfs/dbraw/zinc/53/32/40/1164533240.db2.gz LZIDWLPMKJMYNK-UHFFFAOYSA-N -1 1 292.320 1.393 20 0 CDADMM O=C([O-])c1cnoc1CN[C@H]1Cc2cccc(O)c2C1 ZINC001608985090 1164707300 /nfs/dbraw/zinc/70/73/00/1164707300.db2.gz PZUUTWMXITVPIR-VIFPVBQESA-N -1 1 274.276 1.335 20 0 CDADMM O=C([O-])c1csc(CN2CC[C@@]3(C2)CCCOC3)n1 ZINC001608991867 1164712087 /nfs/dbraw/zinc/71/20/87/1164712087.db2.gz QZGFUJDENSZAJL-CYBMUJFWSA-N -1 1 282.365 1.844 20 0 CDADMM CC(=O)C[C@@H](C)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609061685 1164753792 /nfs/dbraw/zinc/75/37/92/1164753792.db2.gz QZJHVDPNIHXGQT-ZCFIWIBFSA-N -1 1 279.325 1.026 20 0 CDADMM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001609089629 1164765637 /nfs/dbraw/zinc/76/56/37/1164765637.db2.gz FOZLYQVRARFPJN-FZMZJTMJSA-N -1 1 286.339 1.426 20 0 CDADMM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001609089629 1164765639 /nfs/dbraw/zinc/76/56/39/1164765639.db2.gz FOZLYQVRARFPJN-FZMZJTMJSA-N -1 1 286.339 1.426 20 0 CDADMM C[C@]1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C[C@H]2C[C@H]2C1 ZINC001609142947 1164789644 /nfs/dbraw/zinc/78/96/44/1164789644.db2.gz SUVLTPWSAUCLII-RTUWITSCSA-N -1 1 299.334 1.947 20 0 CDADMM C[C@@H]1C[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001609157664 1164805785 /nfs/dbraw/zinc/80/57/85/1164805785.db2.gz VAHORPWPBAKNJZ-RKDXNWHRSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@@H]1C[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001609157664 1164805796 /nfs/dbraw/zinc/80/57/96/1164805796.db2.gz VAHORPWPBAKNJZ-RKDXNWHRSA-N -1 1 291.311 1.005 20 0 CDADMM CCC1(NC(=O)c2ccc(-c3nnn[n-]3)o2)CCOCC1 ZINC001609198134 1164839973 /nfs/dbraw/zinc/83/99/73/1164839973.db2.gz LQLUNPNMPQXCHF-UHFFFAOYSA-N -1 1 291.311 1.149 20 0 CDADMM CCC1(NC(=O)c2ccc(-c3nn[n-]n3)o2)CCOCC1 ZINC001609198134 1164839980 /nfs/dbraw/zinc/83/99/80/1164839980.db2.gz LQLUNPNMPQXCHF-UHFFFAOYSA-N -1 1 291.311 1.149 20 0 CDADMM CCN(C)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001609220899 1164852541 /nfs/dbraw/zinc/85/25/41/1164852541.db2.gz UCGOMWNWIFLVKI-UHFFFAOYSA-N -1 1 266.692 1.007 20 0 CDADMM CCOC1CC(CCNc2cccc(-c3nnn[n-]3)n2)C1 ZINC001609237397 1164859905 /nfs/dbraw/zinc/85/99/05/1164859905.db2.gz HEZRIZIJGJOFIL-UHFFFAOYSA-N -1 1 288.355 1.879 20 0 CDADMM CCOC1CC(CCNc2cccc(-c3nn[n-]n3)n2)C1 ZINC001609237397 1164859908 /nfs/dbraw/zinc/85/99/08/1164859908.db2.gz HEZRIZIJGJOFIL-UHFFFAOYSA-N -1 1 288.355 1.879 20 0 CDADMM CCOc1ncccc1CNc1cccnc1-c1nnn[n-]1 ZINC001609247019 1164863765 /nfs/dbraw/zinc/86/37/65/1164863765.db2.gz SDLYXRZCEQOPFB-UHFFFAOYSA-N -1 1 297.322 1.668 20 0 CDADMM CCOc1ncccc1CNc1cccnc1-c1nn[n-]n1 ZINC001609247019 1164863773 /nfs/dbraw/zinc/86/37/73/1164863773.db2.gz SDLYXRZCEQOPFB-UHFFFAOYSA-N -1 1 297.322 1.668 20 0 CDADMM CCO[C@H]1C[C@@H](OC(=O)c2cc(-c3nnn[n-]3)oc2C)C1 ZINC001609242114 1164864697 /nfs/dbraw/zinc/86/46/97/1164864697.db2.gz PEUUKQPDHCEKID-DTORHVGOSA-N -1 1 292.295 1.492 20 0 CDADMM CCO[C@H]1C[C@@H](OC(=O)c2cc(-c3nn[n-]n3)oc2C)C1 ZINC001609242114 1164864700 /nfs/dbraw/zinc/86/47/00/1164864700.db2.gz PEUUKQPDHCEKID-DTORHVGOSA-N -1 1 292.295 1.492 20 0 CDADMM CO[C@H]1CCN(c2cc(C)nc(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001609314751 1164893178 /nfs/dbraw/zinc/89/31/78/1164893178.db2.gz RYNWGPKMZSLDPC-ZANVPECISA-N -1 1 288.355 1.431 20 0 CDADMM CO[C@H]1CCN(c2cc(C)nc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001609314751 1164893185 /nfs/dbraw/zinc/89/31/85/1164893185.db2.gz RYNWGPKMZSLDPC-ZANVPECISA-N -1 1 288.355 1.431 20 0 CDADMM CO[C@]1(C)CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001609312741 1164893435 /nfs/dbraw/zinc/89/34/35/1164893435.db2.gz PCMDBDKRLBDCHY-CYBMUJFWSA-N -1 1 289.343 1.052 20 0 CDADMM CO[C@]1(C)CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001609312741 1164893442 /nfs/dbraw/zinc/89/34/42/1164893442.db2.gz PCMDBDKRLBDCHY-CYBMUJFWSA-N -1 1 289.343 1.052 20 0 CDADMM CO[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609332523 1164903453 /nfs/dbraw/zinc/90/34/53/1164903453.db2.gz WAJLQGQIZVZJIA-HTQZYQBOSA-N -1 1 293.352 1.226 20 0 CDADMM CO[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609332523 1164903465 /nfs/dbraw/zinc/90/34/65/1164903465.db2.gz WAJLQGQIZVZJIA-HTQZYQBOSA-N -1 1 293.352 1.226 20 0 CDADMM Cc1[nH]nc(NC(=O)C[C@H]2C=CCCC2)c1-c1nn[n-]n1 ZINC001609444611 1164949787 /nfs/dbraw/zinc/94/97/87/1164949787.db2.gz KLGMZSDTABCSPO-VIFPVBQESA-N -1 1 287.327 1.583 20 0 CDADMM Cc1noc([C@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)n1 ZINC001609463281 1164961155 /nfs/dbraw/zinc/96/11/55/1164961155.db2.gz RJGXEQIMYNHTBC-SNVBAGLBSA-N -1 1 298.310 1.295 20 0 CDADMM Cc1noc([C@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)n1 ZINC001609463281 1164961161 /nfs/dbraw/zinc/96/11/61/1164961161.db2.gz RJGXEQIMYNHTBC-SNVBAGLBSA-N -1 1 298.310 1.295 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)Cc1ccc[nH]1 ZINC001609467016 1164964716 /nfs/dbraw/zinc/96/47/16/1164964716.db2.gz RACPPUHUUPAMLC-UHFFFAOYSA-N -1 1 286.295 1.368 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)Cc1ccc[nH]1 ZINC001609467016 1164964722 /nfs/dbraw/zinc/96/47/22/1164964722.db2.gz RACPPUHUUPAMLC-UHFFFAOYSA-N -1 1 286.295 1.368 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@@H](C)[C@@H](F)C1 ZINC001609466888 1164964794 /nfs/dbraw/zinc/96/47/94/1164964794.db2.gz NHRKWHICXGMTPV-XCBNKYQSSA-N -1 1 293.302 1.588 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@@H](C)[C@@H](F)C1 ZINC001609466888 1164964803 /nfs/dbraw/zinc/96/48/03/1164964803.db2.gz NHRKWHICXGMTPV-XCBNKYQSSA-N -1 1 293.302 1.588 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@H]1CCCSC1 ZINC001609566926 1164989300 /nfs/dbraw/zinc/98/93/00/1164989300.db2.gz LAKMMWHBOHYHEZ-QMMMGPOBSA-N -1 1 290.352 1.343 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@H]1CCCSC1 ZINC001609566926 1164989306 /nfs/dbraw/zinc/98/93/06/1164989306.db2.gz LAKMMWHBOHYHEZ-QMMMGPOBSA-N -1 1 290.352 1.343 20 0 CDADMM CC1(C)[C@@H](O)CCN1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001609813911 1165092141 /nfs/dbraw/zinc/09/21/41/1165092141.db2.gz HOWIPTXCKLNTGJ-LBPRGKRZSA-N -1 1 292.335 1.169 20 0 CDADMM CN1CCC[C@H](N2Cc3ccc(C(=O)[O-])cc3C2)C1=O ZINC001610131275 1165227451 /nfs/dbraw/zinc/22/74/51/1165227451.db2.gz OWOPCRYVSIQSJP-ZDUSSCGKSA-N -1 1 274.320 1.321 20 0 CDADMM Cn1cc(Cl)c(CN[C@@](C)(C(=O)[O-])C2CC2)n1 ZINC001610604937 1165375511 /nfs/dbraw/zinc/37/55/11/1165375511.db2.gz SQISQYILLMHVAV-LLVKDONJSA-N -1 1 257.721 1.416 20 0 CDADMM Cn1cncc1CCNC(C)(C)c1nocc1C(=O)[O-] ZINC001610611598 1165377424 /nfs/dbraw/zinc/37/74/24/1165377424.db2.gz LYTCULJRQRNTMQ-UHFFFAOYSA-N -1 1 278.312 1.174 20 0 CDADMM NCc1cc(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)co1 ZINC001610645006 1165393010 /nfs/dbraw/zinc/39/30/10/1165393010.db2.gz LEHAJLOEJYDXTJ-LBPRGKRZSA-N -1 1 280.324 1.502 20 0 CDADMM O=C([O-])[C@@H](NC[C@H](O)C(F)(F)F)c1cccc(O)c1 ZINC001610718007 1165414497 /nfs/dbraw/zinc/41/44/97/1165414497.db2.gz MKARBFZBALDDHQ-IUCAKERBSA-N -1 1 279.214 1.031 20 0 CDADMM O=C([O-])c1occc1CN[C@@H]1c2ccccc2C[C@H]1O ZINC001610874129 1165470553 /nfs/dbraw/zinc/47/05/53/1165470553.db2.gz KVKJXSHVVKJDEL-CHWSQXEVSA-N -1 1 273.288 1.726 20 0 CDADMM Cc1[nH]ncc1CNC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001611133310 1165483038 /nfs/dbraw/zinc/48/30/38/1165483038.db2.gz WTXMUBCWBLCIQB-UHFFFAOYSA-N -1 1 273.292 1.655 20 0 CDADMM CCn1cc(C(=O)Nc2nnn[n-]2)c(-c2ccccc2)n1 ZINC001628641767 1166086436 /nfs/dbraw/zinc/08/64/36/1166086436.db2.gz DSMHHSWYLYJRJN-UHFFFAOYSA-N -1 1 283.295 1.335 20 0 CDADMM CCn1cc(C(=O)Nc2nn[n-]n2)c(-c2ccccc2)n1 ZINC001628641767 1166086439 /nfs/dbraw/zinc/08/64/39/1166086439.db2.gz DSMHHSWYLYJRJN-UHFFFAOYSA-N -1 1 283.295 1.335 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2ccc(-n3ccnc3)nc2)c1[O-] ZINC001629592716 1166150831 /nfs/dbraw/zinc/15/08/31/1166150831.db2.gz IABJACPIMRPOPV-UHFFFAOYSA-N -1 1 284.279 1.257 20 0 CDADMM O=C(NCCn1cnnc1)c1ccc2ccc(O)cc2c1[O-] ZINC001636969575 1166710828 /nfs/dbraw/zinc/71/08/28/1166710828.db2.gz SGIGPADVQJTAAD-UHFFFAOYSA-N -1 1 298.302 1.273 20 0 CDADMM O=C(NCc1cccc(F)n1)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155269537 1167110762 /nfs/dbraw/zinc/11/07/62/1167110762.db2.gz JJNFXLLARUONAW-UHFFFAOYSA-N -1 1 286.266 1.733 20 0 CDADMM Cn1ccc(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)c1 ZINC000357257159 1167346477 /nfs/dbraw/zinc/34/64/77/1167346477.db2.gz RUWXIFLQVAGWTF-UHFFFAOYSA-N -1 1 298.306 1.370 20 0 CDADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@]2(CCOC2=O)C1 ZINC001646630788 1167997370 /nfs/dbraw/zinc/99/73/70/1167997370.db2.gz SBNWPNMUSASITR-CQSZACIVSA-N -1 1 295.722 1.825 20 0 CDADMM NC1(c2noc([C@H]3CCC[C@@H](C(=O)[O-])C3)n2)CCC1 ZINC001610643019 1168006334 /nfs/dbraw/zinc/00/63/34/1168006334.db2.gz LZDQYJJFYYEHLE-DTWKUNHWSA-N -1 1 265.313 1.766 20 0 CDADMM O=C(NC[C@H](O)c1ccco1)c1ncc2ccccc2c1[O-] ZINC001566327932 1168260755 /nfs/dbraw/zinc/26/07/55/1168260755.db2.gz IHIOXABCEFVUGF-LBPRGKRZSA-N -1 1 298.298 1.997 20 0 CDADMM O=C(NCc1ccc2nonc2c1)c1c([O-])cccc1F ZINC001648464085 1169132927 /nfs/dbraw/zinc/13/29/27/1169132927.db2.gz DQISGIDHOHTTPL-UHFFFAOYSA-N -1 1 287.250 1.998 20 0 CDADMM Cc1cccc2c1CCN(Cc1cn(C)nc1C(=O)[O-])C2 ZINC001650010129 1169600984 /nfs/dbraw/zinc/60/09/84/1169600984.db2.gz IJAREVXZCRKZAD-UHFFFAOYSA-N -1 1 285.347 1.985 20 0 CDADMM C[C@@H]1CC[N@@H+](CC(=O)NCC2(C(=O)[O-])CCCC2)C1 ZINC001573646605 1170719884 /nfs/dbraw/zinc/71/98/84/1170719884.db2.gz SOVLRLWJSVJPAB-LLVKDONJSA-N -1 1 268.357 1.089 20 0 CDADMM C[C@@H]1CN(C(=O)Nc2cn(C)cc2C(=O)[O-])C[C@H](C)N1C ZINC001574112940 1170883855 /nfs/dbraw/zinc/88/38/55/1170883855.db2.gz QUPJVOWGPOHFFQ-AOOOYVTPSA-N -1 1 294.355 1.280 20 0 CDADMM CCO[C@@H]1CCC[C@H]1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001578378733 1171891861 /nfs/dbraw/zinc/89/18/61/1171891861.db2.gz MXTPLFXYOAQQJB-NXEZZACHSA-N -1 1 291.311 1.147 20 0 CDADMM CCO[C@@H]1CCC[C@H]1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001578378733 1171891870 /nfs/dbraw/zinc/89/18/70/1171891870.db2.gz MXTPLFXYOAQQJB-NXEZZACHSA-N -1 1 291.311 1.147 20 0 CDADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)[C@H](C)CCO1 ZINC001580350237 1172411628 /nfs/dbraw/zinc/41/16/28/1172411628.db2.gz DAEUZVYDGYVHRM-NXEZZACHSA-N -1 1 274.328 1.265 20 0 CDADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)[C@H](C)CCO1 ZINC001580350237 1172411630 /nfs/dbraw/zinc/41/16/30/1172411630.db2.gz DAEUZVYDGYVHRM-NXEZZACHSA-N -1 1 274.328 1.265 20 0 CDADMM Cc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1F ZINC001581200205 1172594042 /nfs/dbraw/zinc/59/40/42/1172594042.db2.gz APCHAOIALFEYTD-UHFFFAOYSA-N -1 1 285.286 1.138 20 0 CDADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2ccccc2C)nn1C ZINC001581254907 1172599987 /nfs/dbraw/zinc/59/99/87/1172599987.db2.gz ZMRKMXIBEVKTDE-UHFFFAOYSA-N -1 1 297.322 1.469 20 0 CDADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2ccccc2C)nn1C ZINC001581254907 1172600001 /nfs/dbraw/zinc/60/00/01/1172600001.db2.gz ZMRKMXIBEVKTDE-UHFFFAOYSA-N -1 1 297.322 1.469 20 0 CDADMM Cc1ncc(COC(=O)c2ccsc2-c2nnn[n-]2)o1 ZINC001581549636 1172614790 /nfs/dbraw/zinc/61/47/90/1172614790.db2.gz IXKOWIPIWZXRAT-UHFFFAOYSA-N -1 1 291.292 1.582 20 0 CDADMM Cc1ncc(COC(=O)c2ccsc2-c2nn[n-]n2)o1 ZINC001581549636 1172614796 /nfs/dbraw/zinc/61/47/96/1172614796.db2.gz IXKOWIPIWZXRAT-UHFFFAOYSA-N -1 1 291.292 1.582 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H]2CCCC[C@@H]21 ZINC001582700862 1172688676 /nfs/dbraw/zinc/68/86/76/1172688676.db2.gz BKSGULJBFVECNA-GWCFXTLKSA-N -1 1 298.350 1.666 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H]2CCCC[C@@H]21 ZINC001582700862 1172688683 /nfs/dbraw/zinc/68/86/83/1172688683.db2.gz BKSGULJBFVECNA-GWCFXTLKSA-N -1 1 298.350 1.666 20 0 CDADMM Cc1nc2cc(F)ccc2cc1C(=O)N(C)c1nn[n-]n1 ZINC001587339407 1172981771 /nfs/dbraw/zinc/98/17/71/1172981771.db2.gz FPEGWMBPBCITKO-UHFFFAOYSA-N -1 1 286.270 1.472 20 0 CDADMM C=C/C=C\CCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001588530670 1173077694 /nfs/dbraw/zinc/07/76/94/1173077694.db2.gz RZADXMURSMJPOR-ARJAWSKDSA-N -1 1 275.337 1.790 20 0 CDADMM CC(=O)OCCSc1cccc(F)c1-c1nn[n-]n1 ZINC001588888018 1173110656 /nfs/dbraw/zinc/11/06/56/1173110656.db2.gz HLXWSKHYYDCDDS-UHFFFAOYSA-N -1 1 282.300 1.661 20 0 CDADMM CC(C)(C)C1CN(c2nccnc2-c2nnn[n-]2)C1 ZINC001589104947 1173124653 /nfs/dbraw/zinc/12/46/53/1173124653.db2.gz KMVCSNJTJHHVFB-UHFFFAOYSA-N -1 1 259.317 1.139 20 0 CDADMM CC(C)(C)C1CN(c2nccnc2-c2nn[n-]n2)C1 ZINC001589104947 1173124656 /nfs/dbraw/zinc/12/46/56/1173124656.db2.gz KMVCSNJTJHHVFB-UHFFFAOYSA-N -1 1 259.317 1.139 20 0 CDADMM CC(C)[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)CCO1 ZINC001589501468 1173150207 /nfs/dbraw/zinc/15/02/07/1173150207.db2.gz ZVCZQWWXUQUDFA-GXSJLCMTSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)CCO1 ZINC001589501468 1173150211 /nfs/dbraw/zinc/15/02/11/1173150211.db2.gz ZVCZQWWXUQUDFA-GXSJLCMTSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)[C@@H]1C[C@H]1COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589502685 1173150277 /nfs/dbraw/zinc/15/02/77/1173150277.db2.gz PWBDEGFDKBEPSN-UWVGGRQHSA-N -1 1 287.323 1.711 20 0 CDADMM CC(C)[C@@H]1C[C@H]1COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589502685 1173150282 /nfs/dbraw/zinc/15/02/82/1173150282.db2.gz PWBDEGFDKBEPSN-UWVGGRQHSA-N -1 1 287.323 1.711 20 0 CDADMM CC(C)CSCCCn1cncc(-c2nn[n-]n2)c1=O ZINC001589653404 1173166351 /nfs/dbraw/zinc/16/63/51/1173166351.db2.gz MOSDZLHIBRSMRX-UHFFFAOYSA-N -1 1 294.384 1.203 20 0 CDADMM CC(C)C[C@@H](CO)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001589653760 1173166418 /nfs/dbraw/zinc/16/64/18/1173166418.db2.gz IFFIHYDFJARONB-QMMMGPOBSA-N -1 1 295.368 1.065 20 0 CDADMM CC(C)C[C@@H](CO)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001589653760 1173166421 /nfs/dbraw/zinc/16/64/21/1173166421.db2.gz IFFIHYDFJARONB-QMMMGPOBSA-N -1 1 295.368 1.065 20 0 CDADMM C[C@H](CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1ccncc1 ZINC001589795341 1173183311 /nfs/dbraw/zinc/18/33/11/1173183311.db2.gz WITBGEMPYOKRCF-MRVPVSSYSA-N -1 1 298.310 1.117 20 0 CDADMM C[C@@H](Cc1ccncc1)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001589902991 1173200262 /nfs/dbraw/zinc/20/02/62/1173200262.db2.gz XCJPUWHPIDUTAO-VIFPVBQESA-N -1 1 282.311 1.095 20 0 CDADMM C[C@@H](Cc1ccncc1)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001589902991 1173200271 /nfs/dbraw/zinc/20/02/71/1173200271.db2.gz XCJPUWHPIDUTAO-VIFPVBQESA-N -1 1 282.311 1.095 20 0 CDADMM C[C@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccccn1 ZINC001589985490 1173221079 /nfs/dbraw/zinc/22/10/79/1173221079.db2.gz JZSAKYLKFJQRHP-VIFPVBQESA-N -1 1 267.296 1.252 20 0 CDADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccccn1 ZINC001589985490 1173221085 /nfs/dbraw/zinc/22/10/85/1173221085.db2.gz JZSAKYLKFJQRHP-VIFPVBQESA-N -1 1 267.296 1.252 20 0 CDADMM CC1(C)[C@@H]2CN(C(=O)c3ccsc3-c3nnn[n-]3)C[C@@H]21 ZINC001590079065 1173248220 /nfs/dbraw/zinc/24/82/20/1173248220.db2.gz GLSLAPLQUWXZPU-DTORHVGOSA-N -1 1 289.364 1.656 20 0 CDADMM CC1(C)[C@@H]2CN(C(=O)c3ccsc3-c3nn[n-]n3)C[C@@H]21 ZINC001590079065 1173248224 /nfs/dbraw/zinc/24/82/24/1173248224.db2.gz GLSLAPLQUWXZPU-DTORHVGOSA-N -1 1 289.364 1.656 20 0 CDADMM CC1(C)C[C@@]1(C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001590087738 1173251989 /nfs/dbraw/zinc/25/19/89/1173251989.db2.gz XKWVSGZRDGIFST-LBPRGKRZSA-N -1 1 259.317 1.505 20 0 CDADMM CC1(C)C[C@@]1(C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001590087738 1173251994 /nfs/dbraw/zinc/25/19/94/1173251994.db2.gz XKWVSGZRDGIFST-LBPRGKRZSA-N -1 1 259.317 1.505 20 0 CDADMM CC1(C)CC[C@@H](Cn2ccnc2-c2nnn[n-]2)OC1 ZINC001590090339 1173252910 /nfs/dbraw/zinc/25/29/10/1173252910.db2.gz JMAMEWOCEZIJCL-VIFPVBQESA-N -1 1 262.317 1.268 20 0 CDADMM CC1(C)CC[C@@H](Cn2ccnc2-c2nn[n-]n2)OC1 ZINC001590090339 1173252914 /nfs/dbraw/zinc/25/29/14/1173252914.db2.gz JMAMEWOCEZIJCL-VIFPVBQESA-N -1 1 262.317 1.268 20 0 CDADMM CC1(C)CCCC[C@@H]1Cn1cnc(-c2nn[n-]n2)cc1=O ZINC001590096326 1173257073 /nfs/dbraw/zinc/25/70/73/1173257073.db2.gz FOEJFRQRIXIMAE-SNVBAGLBSA-N -1 1 288.355 1.640 20 0 CDADMM CC1(F)CN(C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)C1 ZINC001590141969 1173269758 /nfs/dbraw/zinc/26/97/58/1173269758.db2.gz RQQLCLRCGMNZLA-UHFFFAOYSA-N -1 1 297.240 1.329 20 0 CDADMM CC1=C[C@H](C)CN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590155833 1173274895 /nfs/dbraw/zinc/27/48/95/1173274895.db2.gz BPHIFIFCLCQOCN-QMMMGPOBSA-N -1 1 257.301 1.059 20 0 CDADMM C[C@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)CCS1 ZINC001590207428 1173293348 /nfs/dbraw/zinc/29/33/48/1173293348.db2.gz DPYRIGISKFZLDN-IUCAKERBSA-N -1 1 276.369 1.958 20 0 CDADMM C[C@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)CCS1 ZINC001590207428 1173293355 /nfs/dbraw/zinc/29/33/55/1173293355.db2.gz DPYRIGISKFZLDN-IUCAKERBSA-N -1 1 276.369 1.958 20 0 CDADMM C[C@H]1CCC[C@@H](C2CN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001590244391 1173317840 /nfs/dbraw/zinc/31/78/40/1173317840.db2.gz SBFJVIAQZWOFAJ-WDEREUQCSA-N -1 1 299.382 1.919 20 0 CDADMM C[C@H]1CCC[C@@H](C2CN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001590244391 1173317847 /nfs/dbraw/zinc/31/78/47/1173317847.db2.gz SBFJVIAQZWOFAJ-WDEREUQCSA-N -1 1 299.382 1.919 20 0 CDADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)[C@@H](C)[C@H]1C ZINC001590315709 1173352927 /nfs/dbraw/zinc/35/29/27/1173352927.db2.gz HXDFYMPBVONBHZ-VGMNWLOBSA-N -1 1 259.317 1.137 20 0 CDADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)[C@@H](C)[C@H]1C ZINC001590315709 1173352935 /nfs/dbraw/zinc/35/29/35/1173352935.db2.gz HXDFYMPBVONBHZ-VGMNWLOBSA-N -1 1 259.317 1.137 20 0 CDADMM CC=CC=CC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590355475 1173371118 /nfs/dbraw/zinc/37/11/18/1173371118.db2.gz ZPKGQPNDOVKXFT-MQQKCMAXSA-N -1 1 276.325 1.072 20 0 CDADMM CC=CC=CC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590355475 1173371124 /nfs/dbraw/zinc/37/11/24/1173371124.db2.gz ZPKGQPNDOVKXFT-MQQKCMAXSA-N -1 1 276.325 1.072 20 0 CDADMM CC[C@@H]1CCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590510799 1173442397 /nfs/dbraw/zinc/44/23/97/1173442397.db2.gz ZVTHNQGRFMTRHQ-RKDXNWHRSA-N -1 1 259.317 1.069 20 0 CDADMM CCN(CCc1ccccn1)c1cc(-c2nnn[n-]2)ncn1 ZINC001590718633 1173494540 /nfs/dbraw/zinc/49/45/40/1173494540.db2.gz ORPAWJVCWQISJN-UHFFFAOYSA-N -1 1 296.338 1.121 20 0 CDADMM CCN(CCc1ccccn1)c1cc(-c2nn[n-]n2)ncn1 ZINC001590718633 1173494543 /nfs/dbraw/zinc/49/45/43/1173494543.db2.gz ORPAWJVCWQISJN-UHFFFAOYSA-N -1 1 296.338 1.121 20 0 CDADMM CCN1C(=O)C(C)(C)N[C@@H]1c1ccc(-c2nn[n-]n2)s1 ZINC001590725907 1173501733 /nfs/dbraw/zinc/50/17/33/1173501733.db2.gz URPJGFMZIBWKSW-JTQLQIEISA-N -1 1 292.368 1.157 20 0 CDADMM CCOC[C@H](Nc1cc(-c2nnn[n-]2)ncn1)C(C)C ZINC001590799744 1173513452 /nfs/dbraw/zinc/51/34/52/1173513452.db2.gz BIWBNVRTUYQANA-JTQLQIEISA-N -1 1 277.332 1.130 20 0 CDADMM CCOC[C@H](Nc1cc(-c2nn[n-]n2)ncn1)C(C)C ZINC001590799744 1173513458 /nfs/dbraw/zinc/51/34/58/1173513458.db2.gz BIWBNVRTUYQANA-JTQLQIEISA-N -1 1 277.332 1.130 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC3(C2)CCCC3)n1 ZINC001590904401 1173538188 /nfs/dbraw/zinc/53/81/88/1173538188.db2.gz APGQPAAYNBUXSF-UHFFFAOYSA-N -1 1 285.355 1.600 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC3(C2)CCCC3)n1 ZINC001590904401 1173538194 /nfs/dbraw/zinc/53/81/94/1173538194.db2.gz APGQPAAYNBUXSF-UHFFFAOYSA-N -1 1 285.355 1.600 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2[C@H](CC)CC[C@@H]2C)n1 ZINC001590905066 1173538824 /nfs/dbraw/zinc/53/88/24/1173538824.db2.gz PKSGGRSWTBZARK-VHSXEESVSA-N -1 1 287.371 1.986 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2[C@H](CC)CC[C@@H]2C)n1 ZINC001590905066 1173538830 /nfs/dbraw/zinc/53/88/30/1173538830.db2.gz PKSGGRSWTBZARK-VHSXEESVSA-N -1 1 287.371 1.986 20 0 CDADMM CCc1nc(N[C@H](CC)CSC)cc(-c2nnn[n-]2)n1 ZINC001590916345 1173540576 /nfs/dbraw/zinc/54/05/76/1173540576.db2.gz FVAYSIPVNDUPJM-MRVPVSSYSA-N -1 1 293.400 1.773 20 0 CDADMM CCc1nc(N[C@H](CC)CSC)cc(-c2nn[n-]n2)n1 ZINC001590916345 1173540580 /nfs/dbraw/zinc/54/05/80/1173540580.db2.gz FVAYSIPVNDUPJM-MRVPVSSYSA-N -1 1 293.400 1.773 20 0 CDADMM CCc1nc(SCc2ccncc2)cc(-c2nnn[n-]2)n1 ZINC001590925141 1173544607 /nfs/dbraw/zinc/54/46/07/1173544607.db2.gz KBQBDEWDEFVQAT-UHFFFAOYSA-N -1 1 299.363 1.906 20 0 CDADMM CCc1nc(SCc2ccncc2)cc(-c2nn[n-]n2)n1 ZINC001590925141 1173544614 /nfs/dbraw/zinc/54/46/14/1173544614.db2.gz KBQBDEWDEFVQAT-UHFFFAOYSA-N -1 1 299.363 1.906 20 0 CDADMM CN(C(=O)C[C@@H]1C[C@H]1C1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590984148 1173557821 /nfs/dbraw/zinc/55/78/21/1173557821.db2.gz FGNVCSWAYQHINI-JQWIXIFHSA-N -1 1 298.350 1.661 20 0 CDADMM CN(C(=O)C[C@@H]1C[C@H]1C1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590984148 1173557825 /nfs/dbraw/zinc/55/78/25/1173557825.db2.gz FGNVCSWAYQHINI-JQWIXIFHSA-N -1 1 298.350 1.661 20 0 CDADMM CO[C@@H]1CCC[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001591357246 1173627903 /nfs/dbraw/zinc/62/79/03/1173627903.db2.gz VUKNIKONAKYEFW-RKDXNWHRSA-N -1 1 292.295 1.574 20 0 CDADMM COc1cc(C)ccc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001591521511 1173663632 /nfs/dbraw/zinc/66/36/32/1173663632.db2.gz VKCJGFGXYVTATI-UHFFFAOYSA-N -1 1 299.294 1.159 20 0 CDADMM COc1cc(C)ccc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001591521511 1173663639 /nfs/dbraw/zinc/66/36/39/1173663639.db2.gz VKCJGFGXYVTATI-UHFFFAOYSA-N -1 1 299.294 1.159 20 0 CDADMM COc1ccc(CNc2n[nH]c(C)c2-c2nnn[n-]2)cc1 ZINC001591600900 1173672066 /nfs/dbraw/zinc/67/20/66/1173672066.db2.gz ABDIDJZWQCVJHG-UHFFFAOYSA-N -1 1 285.311 1.519 20 0 CDADMM COc1ccc(CNc2n[nH]c(C)c2-c2nn[n-]n2)cc1 ZINC001591600900 1173672069 /nfs/dbraw/zinc/67/20/69/1173672069.db2.gz ABDIDJZWQCVJHG-UHFFFAOYSA-N -1 1 285.311 1.519 20 0 CDADMM COc1ccc2c(c1)CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001591626405 1173675748 /nfs/dbraw/zinc/67/57/48/1173675748.db2.gz GMIKKUYTKWTGGB-UHFFFAOYSA-N -1 1 295.306 1.360 20 0 CDADMM COc1ccc(NCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001591617773 1173677389 /nfs/dbraw/zinc/67/73/89/1173677389.db2.gz DWHKZABAASUGAW-UHFFFAOYSA-N -1 1 288.336 1.944 20 0 CDADMM COc1ccc(NCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001591617773 1173677395 /nfs/dbraw/zinc/67/73/95/1173677395.db2.gz DWHKZABAASUGAW-UHFFFAOYSA-N -1 1 288.336 1.944 20 0 CDADMM COc1ccccc1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591651054 1173677503 /nfs/dbraw/zinc/67/75/03/1173677503.db2.gz ROXYSZVLCLNTRC-UHFFFAOYSA-N -1 1 296.290 1.523 20 0 CDADMM COc1ccccc1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591651054 1173677506 /nfs/dbraw/zinc/67/75/06/1173677506.db2.gz ROXYSZVLCLNTRC-UHFFFAOYSA-N -1 1 296.290 1.523 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C)C[C@H](C)[C@@H]2C)n1 ZINC001591884421 1173737714 /nfs/dbraw/zinc/73/77/14/1173737714.db2.gz ZMPLEKVLEXKIJL-YWVKMMECSA-N -1 1 287.371 1.836 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](C)C[C@H](C)[C@@H]2C)n1 ZINC001591884421 1173737723 /nfs/dbraw/zinc/73/77/23/1173737723.db2.gz ZMPLEKVLEXKIJL-YWVKMMECSA-N -1 1 287.371 1.836 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)n1 ZINC001591894856 1173740952 /nfs/dbraw/zinc/74/09/52/1173740952.db2.gz AXVCTZNOQLRPSU-BBHBSTQDSA-N -1 1 285.355 1.669 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)n1 ZINC001591894856 1173740958 /nfs/dbraw/zinc/74/09/58/1173740958.db2.gz AXVCTZNOQLRPSU-BBHBSTQDSA-N -1 1 285.355 1.669 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCCC2=CCCC2)n1 ZINC001591895296 1173741387 /nfs/dbraw/zinc/74/13/87/1173741387.db2.gz CZAHOAOOZPKRCA-UHFFFAOYSA-N -1 1 271.328 1.877 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCCC2=CCCC2)n1 ZINC001591895296 1173741381 /nfs/dbraw/zinc/74/13/81/1173741381.db2.gz CZAHOAOOZPKRCA-UHFFFAOYSA-N -1 1 271.328 1.877 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCC[C@H]2C)n1 ZINC001591892528 1173741739 /nfs/dbraw/zinc/74/17/39/1173741739.db2.gz CTPNHRRILZJFFU-VXNVDRBHSA-N -1 1 259.317 1.566 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCC[C@H]2C)n1 ZINC001591892528 1173741744 /nfs/dbraw/zinc/74/17/44/1173741744.db2.gz CTPNHRRILZJFFU-VXNVDRBHSA-N -1 1 259.317 1.566 20 0 CDADMM Cc1cc(C)c(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)o1 ZINC001591947271 1173752136 /nfs/dbraw/zinc/75/21/36/1173752136.db2.gz TXFXZOMYQFEOJK-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1cc(C)c(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)o1 ZINC001591947271 1173752141 /nfs/dbraw/zinc/75/21/41/1173752141.db2.gz TXFXZOMYQFEOJK-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1cc(N[C@@H]2CCCC[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592037097 1173782622 /nfs/dbraw/zinc/78/26/22/1173782622.db2.gz JSFZCYLVBXJYMU-JOYOIKCWSA-N -1 1 272.356 1.983 20 0 CDADMM Cc1cc(N[C@@H]2CCCC[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592037097 1173782625 /nfs/dbraw/zinc/78/26/25/1173782625.db2.gz JSFZCYLVBXJYMU-JOYOIKCWSA-N -1 1 272.356 1.983 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H]1CCOC1(C)C ZINC001592113856 1173804703 /nfs/dbraw/zinc/80/47/03/1173804703.db2.gz LRGWUYQCLPILQQ-JTQLQIEISA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(NCCCc2cnn(C)c2)nc1-c1nn[n-]n1 ZINC001592186122 1173830625 /nfs/dbraw/zinc/83/06/25/1173830625.db2.gz QRWSOZSJBVRCAL-UHFFFAOYSA-N -1 1 298.354 1.348 20 0 CDADMM Cc1cccnc1COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592264411 1173839351 /nfs/dbraw/zinc/83/93/51/1173839351.db2.gz WXPPQALMBWNPQP-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1cccnc1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001592263105 1173839424 /nfs/dbraw/zinc/83/94/24/1173839424.db2.gz PGAHBSRKVONAGH-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1cccnc1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001592263105 1173839428 /nfs/dbraw/zinc/83/94/28/1173839428.db2.gz PGAHBSRKVONAGH-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1ccnc(CSCc2ccc(-c3nnn[n-]3)o2)n1 ZINC001592271998 1173842204 /nfs/dbraw/zinc/84/22/04/1173842204.db2.gz XDTVAYAUNNDQNE-UHFFFAOYSA-N -1 1 288.336 1.992 20 0 CDADMM Cc1ccnc(CSCc2ccc(-c3nn[n-]n3)o2)n1 ZINC001592271998 1173842208 /nfs/dbraw/zinc/84/22/08/1173842208.db2.gz XDTVAYAUNNDQNE-UHFFFAOYSA-N -1 1 288.336 1.992 20 0 CDADMM Cc1ccoc1CNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001592284336 1173847336 /nfs/dbraw/zinc/84/73/36/1173847336.db2.gz XGGCEOMLOKMYOM-UHFFFAOYSA-N -1 1 287.279 1.600 20 0 CDADMM Cc1ccoc1CNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001592284336 1173847339 /nfs/dbraw/zinc/84/73/39/1173847339.db2.gz XGGCEOMLOKMYOM-UHFFFAOYSA-N -1 1 287.279 1.600 20 0 CDADMM Cc1cncc(CNc2cccnc2-c2nnn[n-]2)c1 ZINC001592300022 1173850518 /nfs/dbraw/zinc/85/05/18/1173850518.db2.gz ANKDAOPJGISDKS-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1cncc(CNc2cccnc2-c2nn[n-]n2)c1 ZINC001592300022 1173850524 /nfs/dbraw/zinc/85/05/24/1173850524.db2.gz ANKDAOPJGISDKS-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](C)[C@H](C)C2)n1 ZINC001592337146 1173860402 /nfs/dbraw/zinc/86/04/02/1173860402.db2.gz CJNBPYIRWHNALG-RKDXNWHRSA-N -1 1 273.344 1.447 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](C)[C@H](C)C2)n1 ZINC001592337146 1173860409 /nfs/dbraw/zinc/86/04/09/1173860409.db2.gz CJNBPYIRWHNALG-RKDXNWHRSA-N -1 1 273.344 1.447 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(CCCC2CCOCC2)c1C ZINC001592339571 1173862559 /nfs/dbraw/zinc/86/25/59/1173862559.db2.gz PJLCSYDNRPLNTC-UHFFFAOYSA-N -1 1 290.371 1.887 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(CCCC2CCOCC2)c1C ZINC001592339571 1173862564 /nfs/dbraw/zinc/86/25/64/1173862564.db2.gz PJLCSYDNRPLNTC-UHFFFAOYSA-N -1 1 290.371 1.887 20 0 CDADMM Cc1nc(N[C@@H](C)CC(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001592378203 1173873764 /nfs/dbraw/zinc/87/37/64/1173873764.db2.gz GEXMCGXQLPUIDD-YFKPBYRVSA-N -1 1 287.249 1.718 20 0 CDADMM Cc1nc(N[C@H](C)Cc2ccncc2)cc(-c2nnn[n-]2)n1 ZINC001592379864 1173874407 /nfs/dbraw/zinc/87/44/07/1173874407.db2.gz BXMWZKRMAHDWTE-SECBINFHSA-N -1 1 296.338 1.403 20 0 CDADMM Cc1nc(N[C@H](C)Cc2ccncc2)cc(-c2nn[n-]n2)n1 ZINC001592379864 1173874415 /nfs/dbraw/zinc/87/44/15/1173874415.db2.gz BXMWZKRMAHDWTE-SECBINFHSA-N -1 1 296.338 1.403 20 0 CDADMM Cc1nc(NC[C@H]2CCOC[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592387397 1173879123 /nfs/dbraw/zinc/87/91/23/1173879123.db2.gz LGVIXWCJJMZDAB-WCBMZHEXSA-N -1 1 289.343 1.050 20 0 CDADMM Cc1nc(NC[C@H]2CCOC[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592387397 1173879129 /nfs/dbraw/zinc/87/91/29/1173879129.db2.gz LGVIXWCJJMZDAB-WCBMZHEXSA-N -1 1 289.343 1.050 20 0 CDADMM Cc1ncsc1COc1cnc(-c2nn[n-]n2)nc1 ZINC001592425715 1173887735 /nfs/dbraw/zinc/88/77/35/1173887735.db2.gz ISAYIHGTUKDMIJ-UHFFFAOYSA-N -1 1 275.297 1.001 20 0 CDADMM Cc1nnc([C@H](C)NCc2ccc(-c3nnn[n-]3)o2)o1 ZINC001592441095 1173891789 /nfs/dbraw/zinc/89/17/89/1173891789.db2.gz RKXBOIGQKOZOEJ-LURJTMIESA-N -1 1 275.272 1.002 20 0 CDADMM Cc1nnc([C@H](C)NCc2ccc(-c3nn[n-]n3)o2)o1 ZINC001592441095 1173891794 /nfs/dbraw/zinc/89/17/94/1173891794.db2.gz RKXBOIGQKOZOEJ-LURJTMIESA-N -1 1 275.272 1.002 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCCO[C@H](C)C1 ZINC001592499543 1173905127 /nfs/dbraw/zinc/90/51/27/1173905127.db2.gz NVGMGJWTKGJNLI-MRVPVSSYSA-N -1 1 291.311 1.019 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCCO[C@H](C)C1 ZINC001592499543 1173905134 /nfs/dbraw/zinc/90/51/34/1173905134.db2.gz NVGMGJWTKGJNLI-MRVPVSSYSA-N -1 1 291.311 1.019 20 0 CDADMM FC(F)(F)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001592617744 1173928975 /nfs/dbraw/zinc/92/89/75/1173928975.db2.gz FEFDODXRQNFUNS-SSDOTTSWSA-N -1 1 299.260 1.435 20 0 CDADMM FC(F)(F)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001592617744 1173928977 /nfs/dbraw/zinc/92/89/77/1173928977.db2.gz FEFDODXRQNFUNS-SSDOTTSWSA-N -1 1 299.260 1.435 20 0 CDADMM F[C@H]1CCCN(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001592631793 1173942014 /nfs/dbraw/zinc/94/20/14/1173942014.db2.gz XLMPHGIUMZBNDB-ZETCQYMHSA-N -1 1 268.321 1.257 20 0 CDADMM F[C@H]1CCCN(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001592631793 1173942026 /nfs/dbraw/zinc/94/20/26/1173942026.db2.gz XLMPHGIUMZBNDB-ZETCQYMHSA-N -1 1 268.321 1.257 20 0 CDADMM O=C(CC1CSC1)Nc1ncc(-c2nnn[n-]2)s1 ZINC001592828604 1173993663 /nfs/dbraw/zinc/99/36/63/1173993663.db2.gz ZRJMFXJIPGVBKE-UHFFFAOYSA-N -1 1 282.354 1.015 20 0 CDADMM O=C(CC1CSC1)Nc1ncc(-c2nn[n-]n2)s1 ZINC001592828604 1173993667 /nfs/dbraw/zinc/99/36/67/1173993667.db2.gz ZRJMFXJIPGVBKE-UHFFFAOYSA-N -1 1 282.354 1.015 20 0 CDADMM O=C(CC[C@@H]1CCOC1)OCc1ccc(-c2nnn[n-]2)o1 ZINC001592833704 1173995034 /nfs/dbraw/zinc/99/50/34/1173995034.db2.gz ROAHPEJHGZTKQG-SECBINFHSA-N -1 1 292.295 1.320 20 0 CDADMM O=C(CC[C@@H]1CCOC1)OCc1ccc(-c2nn[n-]n2)o1 ZINC001592833704 1173995042 /nfs/dbraw/zinc/99/50/42/1173995042.db2.gz ROAHPEJHGZTKQG-SECBINFHSA-N -1 1 292.295 1.320 20 0 CDADMM O=C(CCC1CCC1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592829706 1173995430 /nfs/dbraw/zinc/99/54/30/1173995430.db2.gz FCJFWMQWLDOULS-UHFFFAOYSA-N -1 1 292.368 1.520 20 0 CDADMM O=C(CCC1CCC1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592829706 1173995435 /nfs/dbraw/zinc/99/54/35/1173995435.db2.gz FCJFWMQWLDOULS-UHFFFAOYSA-N -1 1 292.368 1.520 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CC2(C1)CCCC2 ZINC001592913477 1174005054 /nfs/dbraw/zinc/00/50/54/1174005054.db2.gz JJAHUYODWYOIDB-UHFFFAOYSA-N -1 1 298.350 1.207 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CC2(C1)CCCC2 ZINC001592913477 1174005060 /nfs/dbraw/zinc/00/50/60/1174005060.db2.gz JJAHUYODWYOIDB-UHFFFAOYSA-N -1 1 298.350 1.207 20 0 CDADMM O=C(N[C@H](C1CC1)C1CCC1)c1coc(-c2nnn[n-]2)c1 ZINC001592949502 1174005907 /nfs/dbraw/zinc/00/59/07/1174005907.db2.gz CIDNFMDWZLRSRV-LBPRGKRZSA-N -1 1 287.323 1.768 20 0 CDADMM O=C(N[C@H](C1CC1)C1CCC1)c1coc(-c2nn[n-]n2)c1 ZINC001592949502 1174005912 /nfs/dbraw/zinc/00/59/12/1174005912.db2.gz CIDNFMDWZLRSRV-LBPRGKRZSA-N -1 1 287.323 1.768 20 0 CDADMM O=C(N[C@H]1C=CCCC1)c1coc(-c2nnn[n-]2)c1 ZINC001592965584 1174005939 /nfs/dbraw/zinc/00/59/39/1174005939.db2.gz MNYIPNXTACXLFI-VIFPVBQESA-N -1 1 259.269 1.298 20 0 CDADMM O=C(N[C@H]1C=CCCC1)c1coc(-c2nn[n-]n2)c1 ZINC001592965584 1174005945 /nfs/dbraw/zinc/00/59/45/1174005945.db2.gz MNYIPNXTACXLFI-VIFPVBQESA-N -1 1 259.269 1.298 20 0 CDADMM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1cccc(-c2nnn[n-]2)n1 ZINC001592983469 1174013000 /nfs/dbraw/zinc/01/30/00/1174013000.db2.gz VPRAHDXTILNPAU-UTLUCORTSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1cccc(-c2nn[n-]n2)n1 ZINC001592983469 1174013007 /nfs/dbraw/zinc/01/30/07/1174013007.db2.gz VPRAHDXTILNPAU-UTLUCORTSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)C1CCC=CCC1 ZINC001593197599 1174031544 /nfs/dbraw/zinc/03/15/44/1174031544.db2.gz MYNVAFMIPKHRGD-UHFFFAOYSA-N -1 1 273.300 1.275 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)C1CCC=CCC1 ZINC001593197599 1174031548 /nfs/dbraw/zinc/03/15/48/1174031548.db2.gz MYNVAFMIPKHRGD-UHFFFAOYSA-N -1 1 273.300 1.275 20 0 CDADMM O=C(Nc1cc(F)ccn1)c1ccc(-c2nn[n-]n2)o1 ZINC001593209194 1174034906 /nfs/dbraw/zinc/03/49/06/1174034906.db2.gz CVMRFNWFOOTUDB-UHFFFAOYSA-N -1 1 274.215 1.246 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@H]1CC12CCCC2 ZINC001593243495 1174037508 /nfs/dbraw/zinc/03/75/08/1174037508.db2.gz DFQSWMSAXLGBNI-JTQLQIEISA-N -1 1 299.338 1.716 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@H]1CC12CCCC2 ZINC001593243495 1174037511 /nfs/dbraw/zinc/03/75/11/1174037511.db2.gz DFQSWMSAXLGBNI-JTQLQIEISA-N -1 1 299.338 1.716 20 0 CDADMM O=C(Nc1cccc(F)c1[O-])c1cccc(-c2nn[nH]n2)c1 ZINC001593249461 1174039129 /nfs/dbraw/zinc/03/91/29/1174039129.db2.gz JBBFQOWFGHKEJZ-UHFFFAOYSA-N -1 1 299.265 1.964 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)NC1CCCC1 ZINC001593244354 1174040938 /nfs/dbraw/zinc/04/09/38/1174040938.db2.gz PFLKRGINSDYTCM-UHFFFAOYSA-N -1 1 273.300 1.326 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)NC1CCCC1 ZINC001593244354 1174040945 /nfs/dbraw/zinc/04/09/45/1174040945.db2.gz PFLKRGINSDYTCM-UHFFFAOYSA-N -1 1 273.300 1.326 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001593255781 1174041268 /nfs/dbraw/zinc/04/12/68/1174041268.db2.gz KMXQWTYGJGZXCU-JMJZKYOTSA-N -1 1 299.338 1.572 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001593255781 1174041275 /nfs/dbraw/zinc/04/12/75/1174041275.db2.gz KMXQWTYGJGZXCU-JMJZKYOTSA-N -1 1 299.338 1.572 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC001593255779 1174041313 /nfs/dbraw/zinc/04/13/13/1174041313.db2.gz KMXQWTYGJGZXCU-FBIMIBRVSA-N -1 1 299.338 1.572 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC001593255779 1174041321 /nfs/dbraw/zinc/04/13/21/1174041321.db2.gz KMXQWTYGJGZXCU-FBIMIBRVSA-N -1 1 299.338 1.572 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(C1CC1)C1CC1 ZINC001593337127 1174066887 /nfs/dbraw/zinc/06/68/87/1174066887.db2.gz PVVBGNQCENNDCD-UHFFFAOYSA-N -1 1 270.296 1.029 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(C1CC1)C1CC1 ZINC001593337127 1174066892 /nfs/dbraw/zinc/06/68/92/1174066892.db2.gz PVVBGNQCENNDCD-UHFFFAOYSA-N -1 1 270.296 1.029 20 0 CDADMM O=C1CC[C@@H](COc2cccc(F)c2-c2nnn[n-]2)O1 ZINC001593391652 1174076969 /nfs/dbraw/zinc/07/69/69/1174076969.db2.gz SYLROLIUHRWCHD-ZETCQYMHSA-N -1 1 278.243 1.090 20 0 CDADMM O=C1CC[C@@H](COc2cccc(F)c2-c2nn[n-]n2)O1 ZINC001593391652 1174076974 /nfs/dbraw/zinc/07/69/74/1174076974.db2.gz SYLROLIUHRWCHD-ZETCQYMHSA-N -1 1 278.243 1.090 20 0 CDADMM O=C1N=NC(CSc2cccnc2-c2nnn[n-]2)S1 ZINC001593489895 1174087481 /nfs/dbraw/zinc/08/74/81/1174087481.db2.gz NCPRPMLEDPEPKP-UHFFFAOYSA-N -1 1 293.337 1.111 20 0 CDADMM O=C1N=NC(CSc2cccnc2-c2nn[n-]n2)S1 ZINC001593489895 1174087488 /nfs/dbraw/zinc/08/74/88/1174087488.db2.gz NCPRPMLEDPEPKP-UHFFFAOYSA-N -1 1 293.337 1.111 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1CC1CC(F)(F)C1 ZINC001593494796 1174088793 /nfs/dbraw/zinc/08/87/93/1174088793.db2.gz XDSXIIJJCJTLDF-UHFFFAOYSA-N -1 1 267.239 1.074 20 0 CDADMM OCCCSc1snc(Cl)c1-c1nnn[n-]1 ZINC001593530984 1174103773 /nfs/dbraw/zinc/10/37/73/1174103773.db2.gz DCXZBKVGJCZEER-UHFFFAOYSA-N -1 1 277.762 1.451 20 0 CDADMM OCCCSc1snc(Cl)c1-c1nn[n-]n1 ZINC001593530984 1174103776 /nfs/dbraw/zinc/10/37/76/1174103776.db2.gz DCXZBKVGJCZEER-UHFFFAOYSA-N -1 1 277.762 1.451 20 0 CDADMM OCCCCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001593530379 1174104675 /nfs/dbraw/zinc/10/46/75/1174104675.db2.gz CTAZYVBUSXTXFU-UHFFFAOYSA-N -1 1 299.338 1.384 20 0 CDADMM OCCCCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001593530379 1174104680 /nfs/dbraw/zinc/10/46/80/1174104680.db2.gz CTAZYVBUSXTXFU-UHFFFAOYSA-N -1 1 299.338 1.384 20 0 CDADMM c1c(-c2nnn[n-]2)nc(C2CC2)nc1N1CCCC2(CC2)C1 ZINC001593543861 1174114143 /nfs/dbraw/zinc/11/41/43/1174114143.db2.gz IDNSJDLRTPPWLF-UHFFFAOYSA-N -1 1 297.366 1.915 20 0 CDADMM c1c(-c2nn[n-]n2)nc(C2CC2)nc1N1CCCC2(CC2)C1 ZINC001593543861 1174114146 /nfs/dbraw/zinc/11/41/46/1174114146.db2.gz IDNSJDLRTPPWLF-UHFFFAOYSA-N -1 1 297.366 1.915 20 0 CDADMM c1cnc2c(c1)CN(c1cccc(-c3nnn[n-]3)n1)CCO2 ZINC001593549931 1174121719 /nfs/dbraw/zinc/12/17/19/1174121719.db2.gz IBXHVMRWIXGYAV-UHFFFAOYSA-N -1 1 295.306 1.056 20 0 CDADMM c1cnc2c(c1)CN(c1cccc(-c3nn[n-]n3)n1)CCO2 ZINC001593549931 1174121726 /nfs/dbraw/zinc/12/17/26/1174121726.db2.gz IBXHVMRWIXGYAV-UHFFFAOYSA-N -1 1 295.306 1.056 20 0 CDADMM c1cc(N2CC[C@@H](C3CCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001593557695 1174131794 /nfs/dbraw/zinc/13/17/94/1174131794.db2.gz RWCKWJRJICBOMY-LLVKDONJSA-N -1 1 270.340 1.888 20 0 CDADMM c1cc(N2CC[C@@H](C3CCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001593557695 1174131796 /nfs/dbraw/zinc/13/17/96/1174131796.db2.gz RWCKWJRJICBOMY-LLVKDONJSA-N -1 1 270.340 1.888 20 0 CDADMM c1cc(NC[C@H]2CCC[C@@H]2C2CC2)cc(-c2nnn[n-]2)n1 ZINC001593558109 1174133483 /nfs/dbraw/zinc/13/34/83/1174133483.db2.gz JEPZRQNHRLWRJB-DGCLKSJQSA-N -1 1 284.367 1.922 20 0 CDADMM c1cc(NC[C@H]2CCC[C@@H]2C2CC2)cc(-c2nn[n-]n2)n1 ZINC001593558109 1174133487 /nfs/dbraw/zinc/13/34/87/1174133487.db2.gz JEPZRQNHRLWRJB-DGCLKSJQSA-N -1 1 284.367 1.922 20 0 CDADMM c1ccc(C2(CNc3ncncc3-c3nn[n-]n3)CC2)cc1 ZINC001593570945 1174142270 /nfs/dbraw/zinc/14/22/70/1174142270.db2.gz LCFROCKYPBNPLC-UHFFFAOYSA-N -1 1 293.334 1.800 20 0 CDADMM c1ccc([C@@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001593572467 1174143048 /nfs/dbraw/zinc/14/30/48/1174143048.db2.gz AFWIDCUHEWYYLF-ZDUSSCGKSA-N -1 1 293.334 1.998 20 0 CDADMM c1ccc([C@@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001593572467 1174143052 /nfs/dbraw/zinc/14/30/52/1174143052.db2.gz AFWIDCUHEWYYLF-ZDUSSCGKSA-N -1 1 293.334 1.998 20 0 CDADMM c1ccc([C@H]2C[C@@H]2CNc2ncncc2-c2nn[n-]n2)cc1 ZINC001593577855 1174144280 /nfs/dbraw/zinc/14/42/80/1174144280.db2.gz DAAWNOVJBFKPTG-VXGBXAGGSA-N -1 1 293.334 1.872 20 0 CDADMM c1ccc2c(c1)CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001593580017 1174144873 /nfs/dbraw/zinc/14/48/73/1174144873.db2.gz GSTXHMFRVUEQGL-UHFFFAOYSA-N -1 1 293.334 1.262 20 0 CDADMM c1ccc([C@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)nc1 ZINC001593572929 1174144897 /nfs/dbraw/zinc/14/48/97/1174144897.db2.gz INBNNBUETPPOMH-GFCCVEGCSA-N -1 1 294.322 1.393 20 0 CDADMM c1ccc([C@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)nc1 ZINC001593572929 1174144901 /nfs/dbraw/zinc/14/49/01/1174144901.db2.gz INBNNBUETPPOMH-GFCCVEGCSA-N -1 1 294.322 1.393 20 0 CDADMM c1ccc(CCOc2cnc(-c3nn[n-]n3)nc2)cc1 ZINC001593574908 1174146076 /nfs/dbraw/zinc/14/60/76/1174146076.db2.gz BBSUVIBATRFAHN-UHFFFAOYSA-N -1 1 268.280 1.278 20 0 CDADMM c1ccc2c(c1)C[C@@H](CNc1cnc(-c3nnn[n-]3)cn1)O2 ZINC001593580184 1174146793 /nfs/dbraw/zinc/14/67/93/1174146793.db2.gz AAWJTNYXZFUTKB-JTQLQIEISA-N -1 1 295.306 1.072 20 0 CDADMM c1ccc2c(c1)C[C@@H](CNc1cnc(-c3nn[n-]n3)cn1)O2 ZINC001593580184 1174146798 /nfs/dbraw/zinc/14/67/98/1174146798.db2.gz AAWJTNYXZFUTKB-JTQLQIEISA-N -1 1 295.306 1.072 20 0 CDADMM c1cc(-c2nnc(-c3cnccn3)o2)sc1-c1nnn[n-]1 ZINC001593583314 1174150268 /nfs/dbraw/zinc/15/02/68/1174150268.db2.gz XPSSGAGZDBBINN-UHFFFAOYSA-N -1 1 298.291 1.435 20 0 CDADMM c1cc(-c2nnc(-c3cnccn3)o2)sc1-c1nn[n-]n1 ZINC001593583314 1174150274 /nfs/dbraw/zinc/15/02/74/1174150274.db2.gz XPSSGAGZDBBINN-UHFFFAOYSA-N -1 1 298.291 1.435 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC001593583204 1174150731 /nfs/dbraw/zinc/15/07/31/1174150731.db2.gz RLJFOFMIQWSSMO-BBBLOLIVSA-N -1 1 271.328 1.505 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC001593583204 1174150737 /nfs/dbraw/zinc/15/07/37/1174150737.db2.gz RLJFOFMIQWSSMO-BBBLOLIVSA-N -1 1 271.328 1.505 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@@H](C2CC2)C2CCC2)n1 ZINC001593583279 1174151239 /nfs/dbraw/zinc/15/12/39/1174151239.db2.gz UYCQHKMHOYKDJQ-SNVBAGLBSA-N -1 1 271.328 1.647 20 0 CDADMM c1cc(C2CCN(c3nccnc3-c3nnn[n-]3)CC2)no1 ZINC001593583576 1174151323 /nfs/dbraw/zinc/15/13/23/1174151323.db2.gz JPAFCTZPJDWGEF-UHFFFAOYSA-N -1 1 298.310 1.029 20 0 CDADMM c1cc(C2CCN(c3nccnc3-c3nn[n-]n3)CC2)no1 ZINC001593583576 1174151328 /nfs/dbraw/zinc/15/13/28/1174151328.db2.gz JPAFCTZPJDWGEF-UHFFFAOYSA-N -1 1 298.310 1.029 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N(CC2CC2)CC2CC2)n1 ZINC001593589220 1174156375 /nfs/dbraw/zinc/15/63/75/1174156375.db2.gz RUIONSBZEYEWJX-UHFFFAOYSA-N -1 1 271.328 1.283 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N(CC2CC2)CC2CC2)n1 ZINC001593589220 1174156377 /nfs/dbraw/zinc/15/63/77/1174156377.db2.gz RUIONSBZEYEWJX-UHFFFAOYSA-N -1 1 271.328 1.283 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NCC1(C2CC2)CC1 ZINC001593590419 1174158423 /nfs/dbraw/zinc/15/84/23/1174158423.db2.gz RIJPENYXIVSSQW-UHFFFAOYSA-N -1 1 257.301 1.259 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NCC1(C2CC2)CC1 ZINC001593590419 1174158428 /nfs/dbraw/zinc/15/84/28/1174158428.db2.gz RIJPENYXIVSSQW-UHFFFAOYSA-N -1 1 257.301 1.259 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC001593594987 1174164846 /nfs/dbraw/zinc/16/48/46/1174164846.db2.gz KVTHSQFBLOARMI-IQJOONFLSA-N -1 1 287.327 1.026 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC001593594987 1174164850 /nfs/dbraw/zinc/16/48/50/1174164850.db2.gz KVTHSQFBLOARMI-IQJOONFLSA-N -1 1 287.327 1.026 20 0 CDADMM Cc1c(Cl)c(CNC2CC(C(=O)[O-])C2)nn1C ZINC001600015382 1174340807 /nfs/dbraw/zinc/34/08/07/1174340807.db2.gz WQUHKCGJGWBMPE-UHFFFAOYSA-N -1 1 257.721 1.335 20 0 CDADMM Cc1c[nH]c(=O)c(CNCc2ccc(C(=O)[O-])[nH]2)c1 ZINC001600060433 1174349877 /nfs/dbraw/zinc/34/98/77/1174349877.db2.gz HXGDZTDMUKWKBS-UHFFFAOYSA-N -1 1 261.281 1.412 20 0 CDADMM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCN[C@@H](C)C1 ZINC001600358826 1174452249 /nfs/dbraw/zinc/45/22/49/1174452249.db2.gz BVWNDUDZOSJGAE-JTQLQIEISA-N -1 1 277.324 1.519 20 0 CDADMM Cc1ccc(C[C@@H](Sc2c[nH]nn2)C(=O)[O-])cc1 ZINC001600404505 1174464456 /nfs/dbraw/zinc/46/44/56/1174464456.db2.gz SGHRICLNYXNRHW-SNVBAGLBSA-N -1 1 263.322 1.901 20 0 CDADMM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])nc2)cn1 ZINC001600483206 1174487723 /nfs/dbraw/zinc/48/77/23/1174487723.db2.gz NHOJACHMAKEESK-UHFFFAOYSA-N -1 1 293.304 1.284 20 0 CDADMM c1cc2cc(-c3noc(Cc4nnn[n-]4)n3)ccc2o1 ZINC000095103524 1174495006 /nfs/dbraw/zinc/49/50/06/1174495006.db2.gz DPXNPWGPVSPYOZ-UHFFFAOYSA-N -1 1 268.236 1.587 20 0 CDADMM c1cc2cc(-c3noc(Cc4nn[n-]n4)n3)ccc2o1 ZINC000095103524 1174495010 /nfs/dbraw/zinc/49/50/10/1174495010.db2.gz DPXNPWGPVSPYOZ-UHFFFAOYSA-N -1 1 268.236 1.587 20 0 CDADMM Cc1nnc(NC(=O)c2cc(F)cc(C(=O)[O-])c2)[nH]1 ZINC001600713463 1174576283 /nfs/dbraw/zinc/57/62/83/1174576283.db2.gz QJLLSEZSLSSNLF-UHFFFAOYSA-N -1 1 264.216 1.203 20 0 CDADMM Cc1n[nH]c(NC(=O)c2cc(F)cc(C(=O)[O-])c2)n1 ZINC001600713463 1174576289 /nfs/dbraw/zinc/57/62/89/1174576289.db2.gz QJLLSEZSLSSNLF-UHFFFAOYSA-N -1 1 264.216 1.203 20 0 CDADMM Cc1nc2cccc(C(=O)N[C@H]3CCC[C@@H]3C(=O)[O-])c2[nH]1 ZINC001600721376 1174579022 /nfs/dbraw/zinc/57/90/22/1174579022.db2.gz XMWLOZJYYVSEHU-ONGXEEELSA-N -1 1 287.319 1.854 20 0 CDADMM OCc1cccc(CNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000103658694 1174683078 /nfs/dbraw/zinc/68/30/78/1174683078.db2.gz IKXKPWPLLJFFRG-UHFFFAOYSA-N -1 1 282.307 1.366 20 0 CDADMM OCc1cccc(CNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000103658694 1174683084 /nfs/dbraw/zinc/68/30/84/1174683084.db2.gz IKXKPWPLLJFFRG-UHFFFAOYSA-N -1 1 282.307 1.366 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCc3ccccc32)n1 ZINC000103655562 1174683519 /nfs/dbraw/zinc/68/35/19/1174683519.db2.gz XLASZNILRDSPST-UHFFFAOYSA-N -1 1 279.307 1.659 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCc3ccccc32)n1 ZINC000103655562 1174683524 /nfs/dbraw/zinc/68/35/24/1174683524.db2.gz XLASZNILRDSPST-UHFFFAOYSA-N -1 1 279.307 1.659 20 0 CDADMM Cn1ccc(CN2CC[C@H](C(=O)[O-])C[C@H]2[C@H]2CCCO2)n1 ZINC001600976346 1174688444 /nfs/dbraw/zinc/68/84/44/1174688444.db2.gz OWVKUUUBJSQMBV-FPMFFAJLSA-N -1 1 293.367 1.264 20 0 CDADMM Nc1ccnc2c1CN(Cc1ccc(C(=O)[O-])s1)CC2 ZINC001601218147 1174795299 /nfs/dbraw/zinc/79/52/99/1174795299.db2.gz GFLLCTSCQGFCMY-UHFFFAOYSA-N -1 1 289.360 1.982 20 0 CDADMM O=C([O-])C12CC(C(=O)Nc3nc4ccc(F)cc4[nH]3)(C1)C2 ZINC001601729453 1174972142 /nfs/dbraw/zinc/97/21/42/1174972142.db2.gz KRUVCEBZBUHQFI-UHFFFAOYSA-N -1 1 289.266 1.895 20 0 CDADMM O=C([O-])[C@H]1C[C@H](O)C[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC001601766563 1174995461 /nfs/dbraw/zinc/99/54/61/1174995461.db2.gz AMAWAZPVJUGZJX-UWVGGRQHSA-N -1 1 282.365 1.288 20 0 CDADMM O=C([O-])[C@H]1C[C@H](O)CN(Cc2cnc(C3CC3)s2)C1 ZINC001601766563 1174995473 /nfs/dbraw/zinc/99/54/73/1174995473.db2.gz AMAWAZPVJUGZJX-UWVGGRQHSA-N -1 1 282.365 1.288 20 0 CDADMM O=C([O-])/C=C\c1ccc(OCCN2CC=C[C@H]2CO)cc1 ZINC001601883391 1175050393 /nfs/dbraw/zinc/05/03/93/1175050393.db2.gz MJIYWUBGVKYLFI-PODYEWJSSA-N -1 1 289.331 1.396 20 0 CDADMM O=C([O-])C[C@H](NC(=O)c1cccc(F)c1O)C1CC1 ZINC001601904819 1175058433 /nfs/dbraw/zinc/05/84/33/1175058433.db2.gz AHHDBOWMFFQTMF-JTQLQIEISA-N -1 1 267.256 1.514 20 0 CDADMM O=C([O-])CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccccc1 ZINC001602049522 1175118095 /nfs/dbraw/zinc/11/80/95/1175118095.db2.gz APSAEOGRTUWDNI-VXGBXAGGSA-N -1 1 285.303 1.631 20 0 CDADMM O=C([O-])c1ccc(C(=O)Nc2cnn(-c3ccncc3)c2)o1 ZINC001602325816 1175205563 /nfs/dbraw/zinc/20/55/63/1175205563.db2.gz WFPJBGCAULSIPR-UHFFFAOYSA-N -1 1 298.258 1.811 20 0 CDADMM O=C([O-])c1ccc(CN2CCN3C[C@@H](F)C[C@H]3C2)c(F)c1 ZINC001602339348 1175214453 /nfs/dbraw/zinc/21/44/53/1175214453.db2.gz YJPGUCNZUTYTCH-STQMWFEESA-N -1 1 296.317 1.752 20 0 CDADMM O=C([O-])c1ccc(Cl)c(CNCCNC(=O)C2CC2)c1 ZINC001602361181 1175224525 /nfs/dbraw/zinc/22/45/25/1175224525.db2.gz NSKUBOZEMAZXRR-UHFFFAOYSA-N -1 1 296.754 1.654 20 0 CDADMM O=C([O-])c1cccc2c1C[N@@H+](CC[C@H]1CCNC1=O)CC2 ZINC001602459860 1175245965 /nfs/dbraw/zinc/24/59/65/1175245965.db2.gz HKJLEYNXIVIEMS-GFCCVEGCSA-N -1 1 288.347 1.269 20 0 CDADMM O=C([O-])c1ccccc1CCc1nc([C@@H]2CCCN2)no1 ZINC001602467891 1175248861 /nfs/dbraw/zinc/24/88/61/1175248861.db2.gz KUYMCUIRXAHSIK-LBPRGKRZSA-N -1 1 287.319 1.978 20 0 CDADMM O=C([O-])c1cnc(CN2CCC([C@@H]3CCOC3)CC2)cn1 ZINC001602518497 1175266217 /nfs/dbraw/zinc/26/62/17/1175266217.db2.gz HASYYDOBIKKWIP-GFCCVEGCSA-N -1 1 291.351 1.423 20 0 CDADMM O=C([O-])[C@]1(F)CCN(C(=O)c2nc[nH]c2C(F)(F)F)C1 ZINC001602628996 1175329993 /nfs/dbraw/zinc/32/99/93/1175329993.db2.gz AXWOLPNENJEAPW-VIFPVBQESA-N -1 1 295.192 1.067 20 0 CDADMM C/C(=C\CN1CCO[C@@]2(CCSC2)C1)C(=O)[O-] ZINC001602965276 1175464240 /nfs/dbraw/zinc/46/42/40/1175464240.db2.gz WIFCARJWIMQNEZ-NWLMCBKJSA-N -1 1 257.355 1.225 20 0 CDADMM CC(C)(O)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001603172300 1175508424 /nfs/dbraw/zinc/50/84/24/1175508424.db2.gz HMZLGRNZBKSDHI-UHFFFAOYSA-N -1 1 274.737 1.159 20 0 CDADMM C[C@@H](C(=O)[O-])N(C(=O)c1cccc2nn[nH]c21)C1CCC1 ZINC001603197958 1175514103 /nfs/dbraw/zinc/51/41/03/1175514103.db2.gz WHZSOVVVYULGEZ-QMMMGPOBSA-N -1 1 288.307 1.426 20 0 CDADMM CC(C)[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001603230934 1175520175 /nfs/dbraw/zinc/52/01/75/1175520175.db2.gz GHNHIQZYYFDNJS-GFCCVEGCSA-N -1 1 299.342 1.199 20 0 CDADMM CC(C)[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001603230934 1175520180 /nfs/dbraw/zinc/52/01/80/1175520180.db2.gz GHNHIQZYYFDNJS-GFCCVEGCSA-N -1 1 299.342 1.199 20 0 CDADMM CC(C)N(C(=O)c1ccc(-c2nnn[n-]2)o1)C1CCC1 ZINC001603316005 1175538878 /nfs/dbraw/zinc/53/88/78/1175538878.db2.gz RZBWTFOOACBQMT-UHFFFAOYSA-N -1 1 275.312 1.863 20 0 CDADMM CC(C)N(C(=O)c1ccc(-c2nn[n-]n2)o1)C1CCC1 ZINC001603316005 1175538882 /nfs/dbraw/zinc/53/88/82/1175538882.db2.gz RZBWTFOOACBQMT-UHFFFAOYSA-N -1 1 275.312 1.863 20 0 CDADMM CC(C)(C)N(CC(N)=O)Cc1ccc(F)cc1C(=O)[O-] ZINC001603339131 1175542470 /nfs/dbraw/zinc/54/24/70/1175542470.db2.gz SHQGMLKXHYHZFN-UHFFFAOYSA-N -1 1 282.315 1.610 20 0 CDADMM CC(C)OCCC(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001603351800 1175545802 /nfs/dbraw/zinc/54/58/02/1175545802.db2.gz HZOPCWQXGHXPIF-UHFFFAOYSA-N -1 1 280.284 1.318 20 0 CDADMM CC(C)OCCC(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001603351800 1175545808 /nfs/dbraw/zinc/54/58/08/1175545808.db2.gz HZOPCWQXGHXPIF-UHFFFAOYSA-N -1 1 280.284 1.318 20 0 CDADMM C[C@@H](O)C[C@@H](C)CNc1cccnc1-c1nnn[n-]1 ZINC001603696129 1175601663 /nfs/dbraw/zinc/60/16/63/1175601663.db2.gz QLXGQQDJYIPYPX-RKDXNWHRSA-N -1 1 262.317 1.081 20 0 CDADMM C[C@@H](O)C[C@@H](C)CNc1cccnc1-c1nn[n-]n1 ZINC001603696129 1175601664 /nfs/dbraw/zinc/60/16/64/1175601664.db2.gz QLXGQQDJYIPYPX-RKDXNWHRSA-N -1 1 262.317 1.081 20 0 CDADMM CC(C)CN(C(=O)CN[C@@H](C(=O)[O-])C1CC1)C1CC1 ZINC001603799163 1175636257 /nfs/dbraw/zinc/63/62/57/1175636257.db2.gz BFBQBWJMHREMQV-CYBMUJFWSA-N -1 1 268.357 1.086 20 0 CDADMM C[C@@H]1C[C@H](C)N1Cc1nc(-c2nnn[n-]2)cs1 ZINC001603847302 1175652643 /nfs/dbraw/zinc/65/26/43/1175652643.db2.gz OZOVHDOOOSWHGE-KNVOCYPGSA-N -1 1 250.331 1.306 20 0 CDADMM C[C@@H]1C[C@H](C)N1Cc1nc(-c2nn[n-]n2)cs1 ZINC001603847302 1175652646 /nfs/dbraw/zinc/65/26/46/1175652646.db2.gz OZOVHDOOOSWHGE-KNVOCYPGSA-N -1 1 250.331 1.306 20 0 CDADMM CC(C)Cn1nccc1CN1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001603865883 1175660083 /nfs/dbraw/zinc/66/00/83/1175660083.db2.gz DRLRIGINUPTCTH-ITGUQSILSA-N -1 1 263.341 1.302 20 0 CDADMM C[C@@H]1C[C@H]1c1noc(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001603871244 1175661119 /nfs/dbraw/zinc/66/11/19/1175661119.db2.gz NFXUXNZMZTZPIQ-HTRCEHHLSA-N -1 1 269.268 1.435 20 0 CDADMM C[C@@H]1C[C@H]1c1noc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001603871244 1175661124 /nfs/dbraw/zinc/66/11/24/1175661124.db2.gz NFXUXNZMZTZPIQ-HTRCEHHLSA-N -1 1 269.268 1.435 20 0 CDADMM CC[C@](C)(NC(=O)c1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC001603987362 1175709779 /nfs/dbraw/zinc/70/97/79/1175709779.db2.gz PYGJTMDXUQFEFZ-ZDUSSCGKSA-N -1 1 275.312 1.768 20 0 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C[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC[C@H]1O ZINC001590314139 1173351729 /nfs/dbraw/zinc/35/17/29/1173351729.db2.gz ZMIQJADHSQEKAS-VXNVDRBHSA-N -1 1 294.746 1.122 20 0 CDADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC[C@H]1O ZINC001590314139 1173351738 /nfs/dbraw/zinc/35/17/38/1173351738.db2.gz ZMIQJADHSQEKAS-VXNVDRBHSA-N -1 1 294.746 1.122 20 0 CDADMM C[C@H]1COCC[C@H]1OC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590321902 1173355402 /nfs/dbraw/zinc/35/54/02/1173355402.db2.gz DGVBTZDDWUQPDO-IONNQARKSA-N -1 1 278.268 1.042 20 0 CDADMM C[C@H]1COCC[C@H]1OC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590321902 1173355410 /nfs/dbraw/zinc/35/54/10/1173355410.db2.gz DGVBTZDDWUQPDO-IONNQARKSA-N -1 1 278.268 1.042 20 0 CDADMM CC[C@H](C(=O)[O-])N1CCN(c2ncccc2Cl)CC1 ZINC000263581355 276548194 /nfs/dbraw/zinc/54/81/94/276548194.db2.gz XAVFSFQAMPHBGQ-LLVKDONJSA-N -1 1 283.759 1.720 20 0 CDADMM CC(C)(C)OC(=O)N1CC(N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000022014159 278379345 /nfs/dbraw/zinc/37/93/45/278379345.db2.gz 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CCOc1nc(C(=O)[N-]c2nncn2-c2ccccc2)co1 ZINC000681535572 482893947 /nfs/dbraw/zinc/89/39/47/482893947.db2.gz WQVIKSQUNVUOCV-UHFFFAOYSA-N -1 1 299.290 1.906 20 0 CDADMM CCO[C@@H]1C[C@@H](NC(=O)c2ccc([O-])c(F)c2)[C@@H]1OC ZINC000681540412 482898699 /nfs/dbraw/zinc/89/86/99/482898699.db2.gz JWMWXGHSBDHDIM-RTXFEEFZSA-N -1 1 283.299 1.454 20 0 CDADMM CC(C)(NC(=O)c1ncccc1[O-])C(=O)Nc1ccccc1 ZINC000681726757 482976434 /nfs/dbraw/zinc/97/64/34/482976434.db2.gz GHCNMRZWFQTLGH-UHFFFAOYSA-N -1 1 299.330 1.934 20 0 CDADMM CC(C)[C@](C)(NC(=O)c1ccc([O-])c(F)c1)C(N)=O ZINC000672206726 483061543 /nfs/dbraw/zinc/06/15/43/483061543.db2.gz BNTGCFUCYUQCSW-ZDUSSCGKSA-N -1 1 268.288 1.161 20 0 CDADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)C(=O)N1CCCC1 ZINC000685487168 483145031 /nfs/dbraw/zinc/14/50/31/483145031.db2.gz ICVYDSWBNDUGBL-QMMMGPOBSA-N -1 1 298.289 1.411 20 0 CDADMM Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1cncc([O-])c1 ZINC000675257261 483264339 /nfs/dbraw/zinc/26/43/39/483264339.db2.gz WJHHFYJBMYLLJT-AWEZNQCLSA-N 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SKYJOIBFGBMEEX-GFCCVEGCSA-N -1 1 291.303 1.055 20 0 CDADMM C[C@H](CN(C)CC(=O)Nc1nc2c(s1)CCC2)C(=O)[O-] ZINC000736571748 575693075 /nfs/dbraw/zinc/69/30/75/575693075.db2.gz NFTJUFKBGCEDQJ-MRVPVSSYSA-N -1 1 297.380 1.223 20 0 CDADMM CCc1cc(CNc2ccc(-c3nn[nH]n3)cn2)n[nH]1 ZINC000736675441 575715410 /nfs/dbraw/zinc/71/54/10/575715410.db2.gz LSDVUDIONQLMLO-UHFFFAOYSA-N -1 1 270.300 1.159 20 0 CDADMM CCc1ccc(Cn2cccc(-c3nn[n-]n3)c2=O)cc1 ZINC000736691987 575723207 /nfs/dbraw/zinc/72/32/07/575723207.db2.gz QMZXDNFTTUVNPX-UHFFFAOYSA-N -1 1 281.319 1.639 20 0 CDADMM COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736906966 575770348 /nfs/dbraw/zinc/77/03/48/575770348.db2.gz APNXKZURLJOEHR-GFCCVEGCSA-N -1 1 287.323 1.004 20 0 CDADMM COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736906966 575770350 /nfs/dbraw/zinc/77/03/50/575770350.db2.gz APNXKZURLJOEHR-GFCCVEGCSA-N -1 1 287.323 1.004 20 0 CDADMM C[C@@H]1CCC[C@H](C(=O)N2CCSC[C@H]2c2nn[n-]n2)C1 ZINC000773165437 575787750 /nfs/dbraw/zinc/78/77/50/575787750.db2.gz XRSUDNNQYJKHLH-VWYCJHECSA-N -1 1 295.412 1.643 20 0 CDADMM COCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000737007760 575791983 /nfs/dbraw/zinc/79/19/83/575791983.db2.gz WQBVYGOLQWZDKJ-UHFFFAOYSA-N -1 1 270.296 1.473 20 0 CDADMM COCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000737007760 575791986 /nfs/dbraw/zinc/79/19/86/575791986.db2.gz WQBVYGOLQWZDKJ-UHFFFAOYSA-N -1 1 270.296 1.473 20 0 CDADMM Cn1ccc(C(=O)COC(=O)c2ccc([O-])cc2F)c1 ZINC000773571174 575827073 /nfs/dbraw/zinc/82/70/73/575827073.db2.gz QILBZYLHBWJFOL-UHFFFAOYSA-N -1 1 277.251 1.910 20 0 CDADMM C[C@H](O)C[C@H](C)CNC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000773988173 575846954 /nfs/dbraw/zinc/84/69/54/575846954.db2.gz QGPHCTKLGQZVKJ-IUCAKERBSA-N -1 1 294.380 1.155 20 0 CDADMM Cc1cccnc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737436429 575964794 /nfs/dbraw/zinc/96/47/94/575964794.db2.gz MMSYKHLYYANVMT-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1cccnc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737436429 575964797 /nfs/dbraw/zinc/96/47/97/575964797.db2.gz MMSYKHLYYANVMT-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1noc(C)c1C[C@@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000737540510 575987997 /nfs/dbraw/zinc/98/79/97/575987997.db2.gz VIEHXMSXZNZBHK-MRVPVSSYSA-N -1 1 299.338 1.910 20 0 CDADMM Cc1noc(C)c1C[C@@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000737540510 575987998 /nfs/dbraw/zinc/98/79/98/575987998.db2.gz VIEHXMSXZNZBHK-MRVPVSSYSA-N -1 1 299.338 1.910 20 0 CDADMM Cn1[n-]c(COC(=O)C2CCCCCC2)nc1=O ZINC000765466847 576026705 /nfs/dbraw/zinc/02/67/05/576026705.db2.gz WQGJGVZBBIVIEX-UHFFFAOYSA-N -1 1 253.302 1.122 20 0 CDADMM Cn1[n-]c(COC(=O)C(C)(C)Cc2ccccc2)nc1=O ZINC000765479795 576028427 /nfs/dbraw/zinc/02/84/27/576028427.db2.gz NEWDNPAQCTVOFM-UHFFFAOYSA-N -1 1 289.335 1.421 20 0 CDADMM c1ccc2c(c1)C[C@H](CNc1cccc(-c3nnn[n-]3)n1)O2 ZINC000738413846 576070476 /nfs/dbraw/zinc/07/04/76/576070476.db2.gz YQAYKAMZPVSQPG-LLVKDONJSA-N -1 1 294.318 1.677 20 0 CDADMM c1ccc2c(c1)C[C@H](CNc1cccc(-c3nn[n-]n3)n1)O2 ZINC000738413846 576070477 /nfs/dbraw/zinc/07/04/77/576070477.db2.gz YQAYKAMZPVSQPG-LLVKDONJSA-N -1 1 294.318 1.677 20 0 CDADMM CC(=O)N(c1nc(CN[C@H](C)C(=O)[O-])cs1)C1CC1 ZINC000738512947 576085602 /nfs/dbraw/zinc/08/56/02/576085602.db2.gz LNWNJLSPKANDBQ-SSDOTTSWSA-N -1 1 283.353 1.221 20 0 CDADMM O=C([O-])[C@@H]1CCCN(CC(=O)Nc2ccc(O)cc2)C1 ZINC000739279384 576198350 /nfs/dbraw/zinc/19/83/50/576198350.db2.gz WYSVOTSLLVVUAV-SNVBAGLBSA-N -1 1 278.308 1.127 20 0 CDADMM CC1(C)OC[C@H](CNC(=O)c2ccc([O-])c(F)c2)O1 ZINC000768262579 576267128 /nfs/dbraw/zinc/26/71/28/576267128.db2.gz XOVGLMHKZXVMLV-VIFPVBQESA-N -1 1 269.272 1.413 20 0 CDADMM CC(C)C(=O)NCCN(C)C(=O)c1c([O-])cccc1Cl ZINC000768551384 576295353 /nfs/dbraw/zinc/29/53/53/576295353.db2.gz IYYXNRAEYOCWLL-UHFFFAOYSA-N -1 1 298.770 1.890 20 0 CDADMM O=C(COC(=O)[C@H]1CC12CCC2)[N-]C(=O)c1ccccc1 ZINC000759982970 576450396 /nfs/dbraw/zinc/45/03/96/576450396.db2.gz OVEILNDODRYEOR-GFCCVEGCSA-N -1 1 287.315 1.676 20 0 CDADMM O=C([O-])c1cn(CN2CCC[C@]3(CC=CCC3)C2)nn1 ZINC000740255022 576451674 /nfs/dbraw/zinc/45/16/74/576451674.db2.gz SDRFLJNLNJOIOL-CQSZACIVSA-N -1 1 276.340 1.756 20 0 CDADMM CC[C@H](CCO)NC(=O)c1c([O-])cccc1Cl ZINC000760178227 576464486 /nfs/dbraw/zinc/46/44/86/576464486.db2.gz OXCIUORGFOOMIL-MRVPVSSYSA-N -1 1 257.717 1.936 20 0 CDADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2CCOC2)c1 ZINC000744874226 576702559 /nfs/dbraw/zinc/70/25/59/576702559.db2.gz REWXQWKXPITJDJ-ZDUSSCGKSA-N -1 1 278.304 1.717 20 0 CDADMM O=C(NCCc1ncc[nH]1)c1c([O-])cccc1Cl ZINC000746692782 576789368 /nfs/dbraw/zinc/78/93/68/576789368.db2.gz ZUHDUDGBTJXJFU-UHFFFAOYSA-N -1 1 265.700 1.741 20 0 CDADMM CCOCCNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000747207627 576862999 /nfs/dbraw/zinc/86/29/99/576862999.db2.gz LSIBBPWBPXXEDI-UHFFFAOYSA-N -1 1 267.329 1.380 20 0 CDADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccon1 ZINC000747434190 576870337 /nfs/dbraw/zinc/87/03/37/576870337.db2.gz GPLKECBJXMOYKK-UHFFFAOYSA-N -1 1 290.323 1.706 20 0 CDADMM C[C@@H](CC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1)C1CC1 ZINC000747474724 576872078 /nfs/dbraw/zinc/87/20/78/576872078.db2.gz YERPBRFBONAGGY-IINYFYTJSA-N -1 1 285.351 1.842 20 0 CDADMM COc1cc(C)[n-]c(=NNC(=S)NC2CCCCC2)n1 ZINC000747654297 576878965 /nfs/dbraw/zinc/87/89/65/576878965.db2.gz MWAGJAAUNQCWPB-UHFFFAOYSA-N -1 1 295.412 1.917 20 0 CDADMM CN(CC(C)(C)O)C(=O)c1c([O-])cccc1Cl ZINC000748419183 576911619 /nfs/dbraw/zinc/91/16/19/576911619.db2.gz MIMZEEAOUSQVCQ-UHFFFAOYSA-N -1 1 257.717 1.889 20 0 CDADMM Cc1cccc(C)c1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000748551528 576916935 /nfs/dbraw/zinc/91/69/35/576916935.db2.gz MAOVISNGPAMOSK-UHFFFAOYSA-N -1 1 287.319 1.182 20 0 CDADMM COCCO[N-]C(=O)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000748769025 576923437 /nfs/dbraw/zinc/92/34/37/576923437.db2.gz KSQJLEPTCPMJSY-AWEZNQCLSA-N -1 1 296.342 1.484 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@@]1(C)CCCO1 ZINC000755575897 576950175 /nfs/dbraw/zinc/95/01/75/576950175.db2.gz KHBDUMVMMSCWCK-OAHLLOKOSA-N -1 1 293.367 1.913 20 0 CDADMM CC1(C)OCC(NC(=O)c2ccc([O-])cc2F)CO1 ZINC000756705665 577001029 /nfs/dbraw/zinc/00/10/29/577001029.db2.gz NFEOXESUNMNAHF-UHFFFAOYSA-N -1 1 269.272 1.413 20 0 CDADMM O=C(C=C1CCC1)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000756727005 577001371 /nfs/dbraw/zinc/00/13/71/577001371.db2.gz WYHXAZIMXLIUEI-UHFFFAOYSA-N -1 1 273.288 1.597 20 0 CDADMM Nc1ncncc1CNC(=O)c1c([O-])cccc1Cl ZINC000756792756 577004433 /nfs/dbraw/zinc/00/44/33/577004433.db2.gz SHZRUHTYJPGQKU-UHFFFAOYSA-N -1 1 278.699 1.348 20 0 CDADMM CC(C)[C@H](OC(=O)c1cc(F)cc(Cl)c1[O-])C(N)=O ZINC000751729097 577061662 /nfs/dbraw/zinc/06/16/62/577061662.db2.gz AMQDMSPIAZSSSA-JTQLQIEISA-N -1 1 289.690 1.851 20 0 CDADMM CCOC(=O)[C@@H](NC(=O)c1cncc([O-])c1)C(C)(C)C ZINC000753342691 577162186 /nfs/dbraw/zinc/16/21/86/577162186.db2.gz NXFZPPPEWZAZAJ-LLVKDONJSA-N -1 1 280.324 1.495 20 0 CDADMM C[C@]1(CCC(=O)[N-]OCC(F)(F)F)CCC(=O)N1 ZINC000753427796 577167818 /nfs/dbraw/zinc/16/78/18/577167818.db2.gz BSFYZHPKSFGNDN-SECBINFHSA-N -1 1 268.235 1.045 20 0 CDADMM COc1ccc(CCC(=O)[N-]OCC(F)F)cc1OC ZINC000759332227 577169674 /nfs/dbraw/zinc/16/96/74/577169674.db2.gz YQLZKSHWYPNQOT-UHFFFAOYSA-N -1 1 289.278 1.949 20 0 CDADMM Cc1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)nc1 ZINC000753483549 577172435 /nfs/dbraw/zinc/17/24/35/577172435.db2.gz CFAAWBQNWFQSOY-UHFFFAOYSA-N -1 1 298.298 1.503 20 0 CDADMM O=C([O-])/C=C\c1ccc(CN2CC3(C2)CCOCC3)o1 ZINC001601879679 1175048779 /nfs/dbraw/zinc/04/87/79/1175048779.db2.gz NHVHFNBOQAGBDW-ARJAWSKDSA-N -1 1 277.320 1.990 20 0 CDADMM O=C([O-])CCC[C@@H]1CCC[C@@H]([NH2+]Cc2cnn[n-]2)C1 ZINC001601980701 1175095394 /nfs/dbraw/zinc/09/53/94/1175095394.db2.gz BATWOHCQACQCOO-WDEREUQCSA-N -1 1 266.345 1.708 20 0 CDADMM O=C([O-])CCCONC(=O)c1cccc2nc[nH]c21 ZINC001601996171 1175105718 /nfs/dbraw/zinc/10/57/18/1175105718.db2.gz HTMHKIVMOMFJSG-UHFFFAOYSA-N -1 1 263.253 1.089 20 0 CDADMM O=C([O-])CCCc1nc(CSCc2nnc[nH]2)no1 ZINC001602002236 1175108137 /nfs/dbraw/zinc/10/81/37/1175108137.db2.gz RPIIKSORJGAXEO-UHFFFAOYSA-N -1 1 283.313 1.028 20 0 CDADMM CC1(C)CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000820595199 599038198 /nfs/dbraw/zinc/03/81/98/599038198.db2.gz FSBKKSVISFGGJE-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM CC1(C)CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000820595199 599038201 /nfs/dbraw/zinc/03/82/01/599038201.db2.gz FSBKKSVISFGGJE-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM COC(C)(C)C[C@@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000821672692 599046099 /nfs/dbraw/zinc/04/60/99/599046099.db2.gz UTLACXSCWXHZFW-SECBINFHSA-N -1 1 276.344 1.877 20 0 CDADMM COC(C)(C)C[C@@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000821672692 599046102 /nfs/dbraw/zinc/04/61/02/599046102.db2.gz UTLACXSCWXHZFW-SECBINFHSA-N -1 1 276.344 1.877 20 0 CDADMM CC[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCS1 ZINC000820994419 599102091 /nfs/dbraw/zinc/10/20/91/599102091.db2.gz HYIYTOCHVWTDQF-VIFPVBQESA-N -1 1 276.369 1.594 20 0 CDADMM CC[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCS1 ZINC000820994419 599102092 /nfs/dbraw/zinc/10/20/92/599102092.db2.gz HYIYTOCHVWTDQF-VIFPVBQESA-N -1 1 276.369 1.594 20 0 CDADMM C[C@H]1CCC[C@H](C)N1C(=O)CN[C@H](C(=O)[O-])C(C)(C)C ZINC000828239605 602224284 /nfs/dbraw/zinc/22/42/84/602224284.db2.gz PCRCDFQOACWFIK-GMXVVIOVSA-N -1 1 284.400 1.865 20 0 CDADMM O=C([O-])c1cc(CNC[C@H](O)Cc2ccccc2)on1 ZINC001602260267 1175187474 /nfs/dbraw/zinc/18/74/74/1175187474.db2.gz SKLWSYHOBQWWEX-LLVKDONJSA-N -1 1 276.292 1.066 20 0 CDADMM O=c1c(-c2nn[n-]n2)cn(CCCCCO)c2ccccc12 ZINC000823656301 599126773 /nfs/dbraw/zinc/12/67/73/599126773.db2.gz BFQGONLWDOPGTJ-UHFFFAOYSA-N -1 1 299.334 1.344 20 0 CDADMM O=C([O-])c1ccc(CN[C@@H]2CCC3(C[C@H]2F)OCCO3)o1 ZINC001602345307 1175216723 /nfs/dbraw/zinc/21/67/23/1175216723.db2.gz FLRKFLRXAKTRME-GHMZBOCLSA-N -1 1 299.298 1.701 20 0 CDADMM C[C@@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)C(=O)[O-] ZINC000820136360 597462530 /nfs/dbraw/zinc/46/25/30/597462530.db2.gz QKBJXWSXLCEQPT-DGCLKSJQSA-N -1 1 276.336 1.240 20 0 CDADMM OCc1ccccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000823727064 607311126 /nfs/dbraw/zinc/31/11/26/607311126.db2.gz MFURTUVBURINJZ-UHFFFAOYSA-N -1 1 271.280 1.564 20 0 CDADMM OCc1ccccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000823727064 607311127 /nfs/dbraw/zinc/31/11/27/607311127.db2.gz MFURTUVBURINJZ-UHFFFAOYSA-N -1 1 271.280 1.564 20 0 CDADMM C[C@@H](NCc1ncc(Br)s1)C(=O)[O-] ZINC000713642022 597718860 /nfs/dbraw/zinc/71/88/60/597718860.db2.gz SDHKEHHQUOQFPM-SCSAIBSYSA-N -1 1 265.132 1.468 20 0 CDADMM O=C([O-])c1cccc(CN2C[C@H](O)C3(CC3)C2)c1Cl ZINC001602436986 1175239799 /nfs/dbraw/zinc/23/97/99/1175239799.db2.gz RWWZWSIOLWKVQZ-NSHDSACASA-N -1 1 281.739 1.995 20 0 CDADMM O=C(OCC1(O)CCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823396255 607323663 /nfs/dbraw/zinc/32/36/63/607323663.db2.gz GYCQMXRJKHKGCH-UHFFFAOYSA-N -1 1 294.336 1.390 20 0 CDADMM O=C(OCC1(O)CCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823396255 607323664 /nfs/dbraw/zinc/32/36/64/607323664.db2.gz GYCQMXRJKHKGCH-UHFFFAOYSA-N -1 1 294.336 1.390 20 0 CDADMM CSCC[C@@H](C)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000821961959 607327324 /nfs/dbraw/zinc/32/73/24/607327324.db2.gz MOLYXCVSFQMVOY-SECBINFHSA-N -1 1 278.385 1.840 20 0 CDADMM CSCC[C@@H](C)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000821961959 607327325 /nfs/dbraw/zinc/32/73/25/607327325.db2.gz MOLYXCVSFQMVOY-SECBINFHSA-N -1 1 278.385 1.840 20 0 CDADMM C[C@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1nnc[nH]1 ZINC000230435819 598212235 /nfs/dbraw/zinc/21/22/35/598212235.db2.gz IDUWPEUAGZEASA-QMMMGPOBSA-N -1 1 289.295 1.315 20 0 CDADMM CN(c1nccnc1-c1nnn[n-]1)C1CCCCC1 ZINC000095294943 598336457 /nfs/dbraw/zinc/33/64/57/598336457.db2.gz YGYGEYGRHAWUBD-UHFFFAOYSA-N -1 1 259.317 1.426 20 0 CDADMM CN(c1nccnc1-c1nn[n-]n1)C1CCCCC1 ZINC000095294943 598336459 /nfs/dbraw/zinc/33/64/59/598336459.db2.gz YGYGEYGRHAWUBD-UHFFFAOYSA-N -1 1 259.317 1.426 20 0 CDADMM C[C@H]1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC000095254239 598341701 /nfs/dbraw/zinc/34/17/01/598341701.db2.gz IVKFSLJVMOPTSO-DTWKUNHWSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@H]1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC000095254239 598341703 /nfs/dbraw/zinc/34/17/03/598341703.db2.gz 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1 252.709 1.760 20 0 CDADMM CN(c1ccc(Cl)c(-c2nnn[n-]2)n1)C1CCC1 ZINC000821618932 606468753 /nfs/dbraw/zinc/46/87/53/606468753.db2.gz BTKRVAOCEHCKCB-UHFFFAOYSA-N -1 1 264.720 1.904 20 0 CDADMM CN(c1ccc(Cl)c(-c2nn[n-]n2)n1)C1CCC1 ZINC000821618932 606468755 /nfs/dbraw/zinc/46/87/55/606468755.db2.gz BTKRVAOCEHCKCB-UHFFFAOYSA-N -1 1 264.720 1.904 20 0 CDADMM Cc1ccoc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822379237 606518631 /nfs/dbraw/zinc/51/86/31/606518631.db2.gz MSSMQQCVANOYPY-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1ccoc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822379237 606518633 /nfs/dbraw/zinc/51/86/33/606518633.db2.gz MSSMQQCVANOYPY-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM C[C@H]1OCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)[C@@H]1C ZINC000820820335 607029355 /nfs/dbraw/zinc/02/93/55/607029355.db2.gz OAIMTUHMURHPEG-HTQZYQBOSA-N -1 1 294.746 1.529 20 0 CDADMM C[C@H]1OCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)[C@@H]1C ZINC000820820335 607029356 /nfs/dbraw/zinc/02/93/56/607029356.db2.gz OAIMTUHMURHPEG-HTQZYQBOSA-N -1 1 294.746 1.529 20 0 CDADMM c1cc(N(CC2CC2)CC2CC2)nnc1-c1nnn[n-]1 ZINC000826516558 607990871 /nfs/dbraw/zinc/99/08/71/607990871.db2.gz PCKHRWIGRUQXDV-UHFFFAOYSA-N -1 1 271.328 1.283 20 0 CDADMM c1cc(N(CC2CC2)CC2CC2)nnc1-c1nn[n-]n1 ZINC000826516558 607990872 /nfs/dbraw/zinc/99/08/72/607990872.db2.gz PCKHRWIGRUQXDV-UHFFFAOYSA-N -1 1 271.328 1.283 20 0 CDADMM OCC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC000826510439 607991469 /nfs/dbraw/zinc/99/14/69/607991469.db2.gz QWILWNOPYBMNLD-LLVKDONJSA-N -1 1 297.322 1.192 20 0 CDADMM OCC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC000826510439 607991470 /nfs/dbraw/zinc/99/14/70/607991470.db2.gz QWILWNOPYBMNLD-LLVKDONJSA-N -1 1 297.322 1.192 20 0 CDADMM CC[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@H]1O ZINC000825211276 608017930 /nfs/dbraw/zinc/01/79/30/608017930.db2.gz LPMKZRVDHQRFHE-IONNQARKSA-N -1 1 294.746 1.122 20 0 CDADMM CC[C@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@H]1O ZINC000825211276 608017931 /nfs/dbraw/zinc/01/79/31/608017931.db2.gz LPMKZRVDHQRFHE-IONNQARKSA-N -1 1 294.746 1.122 20 0 CDADMM C[C@@H]1OCC[C@@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000825022589 608148680 /nfs/dbraw/zinc/14/86/80/608148680.db2.gz YUGYTDHZIDZDSD-XPUUQOCRSA-N -1 1 280.719 1.504 20 0 CDADMM C[C@@H]1OCC[C@@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000825022589 608148681 /nfs/dbraw/zinc/14/86/81/608148681.db2.gz YUGYTDHZIDZDSD-XPUUQOCRSA-N -1 1 280.719 1.504 20 0 CDADMM Cc1cc(Nc2ccc(-c3nnn[n-]3)nn2)ccc1N(C)C ZINC000826271618 608398399 /nfs/dbraw/zinc/39/83/99/608398399.db2.gz YYEVSQWLXQGBAP-UHFFFAOYSA-N -1 1 296.338 1.775 20 0 CDADMM Cc1cc(Nc2ccc(-c3nn[n-]n3)nn2)ccc1N(C)C ZINC000826271618 608398401 /nfs/dbraw/zinc/39/84/01/608398401.db2.gz YYEVSQWLXQGBAP-UHFFFAOYSA-N -1 1 296.338 1.775 20 0 CDADMM c1cc(N2CCC[C@@H]2C2CC2)nnc1-c1nnn[n-]1 ZINC000826517025 608412642 /nfs/dbraw/zinc/41/26/42/608412642.db2.gz MNPJPKHNQCNUBG-SNVBAGLBSA-N -1 1 257.301 1.036 20 0 CDADMM c1cc(N2CCC[C@@H]2C2CC2)nnc1-c1nn[n-]n1 ZINC000826517025 608412644 /nfs/dbraw/zinc/41/26/44/608412644.db2.gz MNPJPKHNQCNUBG-SNVBAGLBSA-N -1 1 257.301 1.036 20 0 CDADMM Cc1ccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)o1 ZINC000826285644 608420300 /nfs/dbraw/zinc/42/03/00/608420300.db2.gz FSUPCGAKXIUJNC-NSHDSACASA-N -1 1 297.322 1.900 20 0 CDADMM Cc1ccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)o1 ZINC000826285644 608420302 /nfs/dbraw/zinc/42/03/02/608420302.db2.gz FSUPCGAKXIUJNC-NSHDSACASA-N -1 1 297.322 1.900 20 0 CDADMM C[C@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)[C@@H](C)CO1 ZINC000824984782 608561626 /nfs/dbraw/zinc/56/16/26/608561626.db2.gz NOSVDJWYJFLBPZ-IUCAKERBSA-N -1 1 263.301 1.069 20 0 CDADMM C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)[C@@H](C)CO1 ZINC000824984782 608561629 /nfs/dbraw/zinc/56/16/29/608561629.db2.gz NOSVDJWYJFLBPZ-IUCAKERBSA-N -1 1 263.301 1.069 20 0 CDADMM CN(CCn1ccnc1-c1nnn[n-]1)c1ccccc1 ZINC000825949908 608889789 /nfs/dbraw/zinc/88/97/89/608889789.db2.gz DVDPICHYPKNFGF-UHFFFAOYSA-N -1 1 269.312 1.200 20 0 CDADMM CN(CCn1ccnc1-c1nn[n-]n1)c1ccccc1 ZINC000825949908 608889791 /nfs/dbraw/zinc/88/97/91/608889791.db2.gz DVDPICHYPKNFGF-UHFFFAOYSA-N -1 1 269.312 1.200 20 0 CDADMM c1c[nH]c(CCNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826517116 609429241 /nfs/dbraw/zinc/42/92/41/609429241.db2.gz QZISVADCZFOMDK-UHFFFAOYSA-N -1 1 255.285 1.244 20 0 CDADMM c1c[nH]c(CCNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826517116 609429242 /nfs/dbraw/zinc/42/92/42/609429242.db2.gz QZISVADCZFOMDK-UHFFFAOYSA-N -1 1 255.285 1.244 20 0 CDADMM O=C(N[C@@H]1COC[C@@H]1C1CC1)c1ccc([O-])cc1F ZINC000891052348 617357007 /nfs/dbraw/zinc/35/70/07/617357007.db2.gz HXVVGIQPIZXHGY-DGCLKSJQSA-N -1 1 265.284 1.686 20 0 CDADMM COCc1nc(NCCc2ccccn2)cc(=O)[n-]1 ZINC000891428896 617390437 /nfs/dbraw/zinc/39/04/37/617390437.db2.gz GLURWYBBDODQBK-UHFFFAOYSA-N -1 1 260.297 1.378 20 0 CDADMM CCCC(=O)N1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000982357877 614785420 /nfs/dbraw/zinc/78/54/20/614785420.db2.gz DGLFJEPYFZCYLG-NSHDSACASA-N -1 1 291.351 1.166 20 0 CDADMM O=C(C[C@H]1CCCCO1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891621116 617508701 /nfs/dbraw/zinc/50/87/01/617508701.db2.gz FZJFXMALHKNACW-SNVBAGLBSA-N -1 1 291.351 1.959 20 0 CDADMM CCO[C@H](C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891625163 617511302 /nfs/dbraw/zinc/51/13/02/617511302.db2.gz VYCAWBLURAGXTH-MRVPVSSYSA-N -1 1 265.313 1.425 20 0 CDADMM CN(C(=O)[C@H](OC(C)(C)C)c1ccccc1)c1nn[n-]n1 ZINC000892954820 617977993 /nfs/dbraw/zinc/97/79/93/617977993.db2.gz RQFJDQPQHLBBCE-LLVKDONJSA-N -1 1 289.339 1.719 20 0 CDADMM CCC[C@H](C)CC(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000776562821 617673496 /nfs/dbraw/zinc/67/34/96/617673496.db2.gz FLNXPYCPEHJWDX-VHSXEESVSA-N -1 1 283.401 1.643 20 0 CDADMM COC/C=C/C(=O)Nc1cc(C(=O)OC(C)C)[nH]n1 ZINC000888119014 620750977 /nfs/dbraw/zinc/75/09/77/620750977.db2.gz QAIZCSDNOZSUFN-SNAWJCMRSA-N -1 1 267.285 1.116 20 0 CDADMM O=C([N-]N1CCCC1=O)c1cc2occc2s1 ZINC000780701037 617773587 /nfs/dbraw/zinc/77/35/87/617773587.db2.gz ANUSJXWKPDEJEW-UHFFFAOYSA-N -1 1 250.279 1.762 20 0 CDADMM COCc1nc(N2CC[C@@H](c3ccccn3)C2)cc(=O)[n-]1 ZINC000893677112 617829652 /nfs/dbraw/zinc/82/96/52/617829652.db2.gz XRAMFNIUAKGNKB-LLVKDONJSA-N -1 1 286.335 1.718 20 0 CDADMM CC1(CNC(=O)Cc2ccc([O-])c(Cl)c2)OCCO1 ZINC000866876869 618176327 /nfs/dbraw/zinc/17/63/27/618176327.db2.gz UOSLCVLJBILGOH-UHFFFAOYSA-N -1 1 285.727 1.467 20 0 CDADMM CC[C@H]1CN(c2cc(=O)[n-]c(COC)n2)C[C@@H](C)O1 ZINC000892462842 618225642 /nfs/dbraw/zinc/22/56/42/618225642.db2.gz TWSUFBMIQKNCQI-ZJUUUORDSA-N -1 1 267.329 1.332 20 0 CDADMM COCc1nc(N2CCC3(CC2)OCCCO3)cc(=O)[n-]1 ZINC000893986348 618237950 /nfs/dbraw/zinc/23/79/50/618237950.db2.gz QZRIEOWIHBWGPQ-UHFFFAOYSA-N -1 1 295.339 1.062 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000901992578 618434296 /nfs/dbraw/zinc/43/42/96/618434296.db2.gz JMVHVTCPDOVRGP-ZFWZSOMGSA-N -1 1 291.351 1.540 20 0 CDADMM COc1nccnc1CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000901993490 618435499 /nfs/dbraw/zinc/43/54/99/618435499.db2.gz LAZKMUMNSDMATA-VIFPVBQESA-N -1 1 265.313 1.170 20 0 CDADMM CN(CC(=O)NCC(C)(C)CC(=O)[O-])C1CCC1 ZINC000910828122 618514042 /nfs/dbraw/zinc/51/40/42/618514042.db2.gz XCQJZBIXPHLAIA-UHFFFAOYSA-N -1 1 256.346 1.088 20 0 CDADMM CC[C@H](C(=O)Nc1nc(C(=O)[O-])c(C)s1)N(C)C ZINC000910780428 618501121 /nfs/dbraw/zinc/50/11/21/618501121.db2.gz FHPIXGKIWYMGMJ-SSDOTTSWSA-N -1 1 271.342 1.428 20 0 CDADMM CN1CCC[C@H]1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000910904316 618581777 /nfs/dbraw/zinc/58/17/77/618581777.db2.gz DKJJCLTWDHFUHK-OLZOCXBDSA-N -1 1 294.326 1.032 20 0 CDADMM C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000828214071 618613956 /nfs/dbraw/zinc/61/39/56/618613956.db2.gz HMQJGDLPCCEAMF-CWSCBRNRSA-N -1 1 296.392 1.863 20 0 CDADMM COCc1nc(NCC(C)(C)OCC2CC2)cc(=O)[n-]1 ZINC000894197259 618685702 /nfs/dbraw/zinc/68/57/02/618685702.db2.gz FVLGCZQLLQBLGF-UHFFFAOYSA-N -1 1 281.356 1.946 20 0 CDADMM CC[C@H](C)C[C@@H](CO)Nc1cc(=O)[n-]c(COC)n1 ZINC000894354520 618814382 /nfs/dbraw/zinc/81/43/82/618814382.db2.gz VHLTXPUHFWWSEO-UWVGGRQHSA-N -1 1 269.345 1.538 20 0 CDADMM CCC1(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000909409252 619096001 /nfs/dbraw/zinc/09/60/01/619096001.db2.gz QQHVFDXZDMQXMO-NSHDSACASA-N -1 1 268.357 1.089 20 0 CDADMM O=C([O-])CC[C@@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC000909485621 619386566 /nfs/dbraw/zinc/38/65/66/619386566.db2.gz UQTLEFQVZFEASD-NSHDSACASA-N -1 1 279.340 1.446 20 0 CDADMM CCN1CCC[C@H]([N-]c2nnc(C(C)C)o2)C1=O ZINC000895898688 619888733 /nfs/dbraw/zinc/88/87/33/619888733.db2.gz BGHXRCAMBYVWAG-VIFPVBQESA-N -1 1 252.318 1.616 20 0 CDADMM Cc1nc(C)c(CC(=O)[N-]OCc2cccnc2)s1 ZINC000897151060 620394268 /nfs/dbraw/zinc/39/42/68/620394268.db2.gz YMJSWVFMBAAUCI-UHFFFAOYSA-N -1 1 277.349 1.945 20 0 CDADMM COc1cc(C(=O)[O-])ccc1CCNC(=O)[C@@H](C)N(C)C ZINC000909629861 620523189 /nfs/dbraw/zinc/52/31/89/620523189.db2.gz XECZRQPJFZEBLO-SNVBAGLBSA-N -1 1 294.351 1.002 20 0 CDADMM CC(C)CC[C@@H](C)NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000035084059 620835494 /nfs/dbraw/zinc/83/54/94/620835494.db2.gz NETAYZCPSJDLSY-OLZOCXBDSA-N -1 1 284.400 1.724 20 0 CDADMM CCCn1ccc(CNC(=O)c2ncccc2[O-])c1 ZINC000897538825 620939512 /nfs/dbraw/zinc/93/95/12/620939512.db2.gz VQNZFLWOTPVERV-UHFFFAOYSA-N -1 1 259.309 1.929 20 0 CDADMM CC(C)CC(=O)NCCC(=O)[N-]Oc1ccc(F)cc1 ZINC000898573451 621798339 /nfs/dbraw/zinc/79/83/39/621798339.db2.gz LYPDLNPSBKHUFH-UHFFFAOYSA-N -1 1 282.315 1.788 20 0 CDADMM CC(C)(C(=O)NCc1nc([O-])cc(=O)[nH]1)C1CCC1 ZINC000898753646 621864950 /nfs/dbraw/zinc/86/49/50/621864950.db2.gz COKALEJYWJFONK-UHFFFAOYSA-N -1 1 265.313 1.330 20 0 CDADMM CCn1cc(CC(=O)[N-]OCc2cccc(C)n2)cn1 ZINC000898933073 621972243 /nfs/dbraw/zinc/97/22/43/621972243.db2.gz XSNVPDXCLXETSD-UHFFFAOYSA-N -1 1 274.324 1.397 20 0 CDADMM C[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)[C@H]1CCOC1 ZINC000900843063 623558736 /nfs/dbraw/zinc/55/87/36/623558736.db2.gz TZGIJNXJFQFMDZ-WPRPVWTQSA-N -1 1 277.324 1.214 20 0 CDADMM O=C(NC[C@@H]1CCCS1)c1cnc(C2CC2)[n-]c1=O ZINC000901019945 623838460 /nfs/dbraw/zinc/83/84/60/623838460.db2.gz WVEABHUZQOVBDJ-VIFPVBQESA-N -1 1 279.365 1.685 20 0 CDADMM C[C@H]1C[C@@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)CCO1 ZINC000901297651 624127897 /nfs/dbraw/zinc/12/78/97/624127897.db2.gz ZOHSUYYCTWEVIL-WPRPVWTQSA-N -1 1 277.324 1.357 20 0 CDADMM CN(CCc1ccccc1)CC(=O)NCCCC(=O)[O-] ZINC000901440172 624251350 /nfs/dbraw/zinc/25/13/50/624251350.db2.gz ZSWWWADNWUOEEG-UHFFFAOYSA-N -1 1 278.352 1.142 20 0 CDADMM CC(C)C[C@H](NC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C)C(=O)[O-] ZINC000901456079 624274489 /nfs/dbraw/zinc/27/44/89/624274489.db2.gz BUOTUXUJIPADGS-XDTLVQLUSA-N -1 1 293.367 1.691 20 0 CDADMM C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N(C)CCC(=O)[O-])C1 ZINC000901460516 624278217 /nfs/dbraw/zinc/27/82/17/624278217.db2.gz TWROYWIUYQPZML-WPRPVWTQSA-N -1 1 265.313 1.009 20 0 CDADMM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000901549703 624344290 /nfs/dbraw/zinc/34/42/90/624344290.db2.gz KVOWBOUEUGQIFM-UPJWGTAASA-N -1 1 299.330 1.325 20 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C[C@H](O)CSc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001605442400 1163564878 /nfs/dbraw/zinc/56/48/78/1163564878.db2.gz MYBXWJOPKWAKEB-VKHMYHEASA-N -1 1 277.762 1.450 20 0 CDADMM Cc1cc(-c2nn[n-]n2)cc(=NOCCOC(C)C)[nH]1 ZINC001605534851 1163601986 /nfs/dbraw/zinc/60/19/86/1163601986.db2.gz LEPABDWFRRQQIC-UHFFFAOYSA-N -1 1 278.316 1.339 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCS[C@H](C)[C@H]2C)n1 ZINC001605564331 1163611129 /nfs/dbraw/zinc/61/11/29/1163611129.db2.gz SCIRAUOFEGJYQH-RKDXNWHRSA-N -1 1 291.384 1.295 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCS[C@H](C)[C@H]2C)n1 ZINC001605564331 1163611130 /nfs/dbraw/zinc/61/11/30/1163611130.db2.gz SCIRAUOFEGJYQH-RKDXNWHRSA-N -1 1 291.384 1.295 20 0 CDADMM Cc1cc(C(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)co1 ZINC001605629270 1163629549 /nfs/dbraw/zinc/62/95/49/1163629549.db2.gz FQDISHRELHLTSZ-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1cc(C(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)co1 ZINC001605629270 1163629553 /nfs/dbraw/zinc/62/95/53/1163629553.db2.gz FQDISHRELHLTSZ-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1cc(NC(=O)C2=C([O-])C(C)N=N2)cc(-c2nn[nH]n2)c1 ZINC001605713642 1163648401 /nfs/dbraw/zinc/64/84/01/1163648401.db2.gz VKMBZMOUARIULX-UHFFFAOYSA-N -1 1 299.294 1.165 20 0 CDADMM Cc1ccc(CNc2ccc(C)c(-c3nnn[n-]3)n2)cn1 ZINC001605856513 1163693277 /nfs/dbraw/zinc/69/32/77/1163693277.db2.gz OSEFDHAZOVTNBR-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1ccc(CNc2ccc(C)c(-c3nn[n-]n3)n2)cn1 ZINC001605856513 1163693280 /nfs/dbraw/zinc/69/32/80/1163693280.db2.gz OSEFDHAZOVTNBR-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM O=C(C[C@@H]1OC(=O)c2ccccc21)[N-]OC1CCC1 ZINC000812790164 1163718510 /nfs/dbraw/zinc/71/85/10/1163718510.db2.gz JVTJGMCBBRWCOD-LBPRGKRZSA-N -1 1 261.277 1.889 20 0 CDADMM FC(F)[C@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001606296407 1163840604 /nfs/dbraw/zinc/84/06/04/1163840604.db2.gz INHODAKLXHNZLF-SNVBAGLBSA-N -1 1 296.281 1.122 20 0 CDADMM FC(F)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC001606296407 1163840607 /nfs/dbraw/zinc/84/06/07/1163840607.db2.gz INHODAKLXHNZLF-SNVBAGLBSA-N -1 1 296.281 1.122 20 0 CDADMM FC(F)[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001606296406 1163840763 /nfs/dbraw/zinc/84/07/63/1163840763.db2.gz INHODAKLXHNZLF-JTQLQIEISA-N -1 1 296.281 1.122 20 0 CDADMM FC(F)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC001606296406 1163840773 /nfs/dbraw/zinc/84/07/73/1163840773.db2.gz INHODAKLXHNZLF-JTQLQIEISA-N -1 1 296.281 1.122 20 0 CDADMM FC1(F)C[C@]12CCCN(c1cccc(-c3nnn[n-]3)n1)C2 ZINC001606301166 1163846145 /nfs/dbraw/zinc/84/61/45/1163846145.db2.gz OTIPUIWWNDQKTQ-LBPRGKRZSA-N -1 1 292.293 1.887 20 0 CDADMM FC1(F)C[C@]12CCCN(c1cccc(-c3nn[n-]n3)n1)C2 ZINC001606301166 1163846150 /nfs/dbraw/zinc/84/61/50/1163846150.db2.gz OTIPUIWWNDQKTQ-LBPRGKRZSA-N -1 1 292.293 1.887 20 0 CDADMM FCC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001606302272 1163848656 /nfs/dbraw/zinc/84/86/56/1163848656.db2.gz BCKFCKOFROOUOV-SECBINFHSA-N -1 1 281.291 1.020 20 0 CDADMM FCC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001606302272 1163848661 /nfs/dbraw/zinc/84/86/61/1163848661.db2.gz BCKFCKOFROOUOV-SECBINFHSA-N -1 1 281.291 1.020 20 0 CDADMM Fc1ccc2c(c1)CCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001606326691 1163862965 /nfs/dbraw/zinc/86/29/65/1163862965.db2.gz KAJWYTJRHRGUHD-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM Fc1ccc2c(c1)CCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001606326691 1163862968 /nfs/dbraw/zinc/86/29/68/1163862968.db2.gz KAJWYTJRHRGUHD-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM Fc1cccc2c1CC[C@H]2Nc1ccnc(-c2nn[n-]n2)n1 ZINC001606331399 1163864387 /nfs/dbraw/zinc/86/43/87/1163864387.db2.gz APCPMRLAEJBPPF-LLVKDONJSA-N -1 1 297.297 1.317 20 0 CDADMM Fc1cccc2c1CN(c1cccnc1-c1nnn[n-]1)CC2 ZINC001606333459 1163864428 /nfs/dbraw/zinc/86/44/28/1163864428.db2.gz XBXMWEIXNKPTMQ-UHFFFAOYSA-N -1 1 296.309 1.964 20 0 CDADMM Fc1cccc2c1CN(c1cccnc1-c1nn[n-]n1)CC2 ZINC001606333459 1163864433 /nfs/dbraw/zinc/86/44/33/1163864433.db2.gz XBXMWEIXNKPTMQ-UHFFFAOYSA-N -1 1 296.309 1.964 20 0 CDADMM COC(=O)[C@H]1[C@@H]2CN([C@@H](C)c3cc(C)c(C(=O)[O-])o3)C[C@@H]21 ZINC001606514947 1163921360 /nfs/dbraw/zinc/92/13/60/1163921360.db2.gz VCDVETULACZCBM-UXCLJVHYSA-N -1 1 293.319 1.698 20 0 CDADMM COC(=O)c1sccc1CN1CCC[C@@H]1CC(=O)[O-] ZINC001606643813 1163945203 /nfs/dbraw/zinc/94/52/03/1163945203.db2.gz KSIHBBAYUKVDNY-SNVBAGLBSA-N -1 1 283.349 1.974 20 0 CDADMM COC[C@@H](N[C@H](C(=O)[O-])c1ccsc1)C1CC1 ZINC001606814713 1164000546 /nfs/dbraw/zinc/00/05/46/1164000546.db2.gz JSROKWXRUSIKFA-MNOVXSKESA-N -1 1 255.339 1.888 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1C2CCC1CC2 ZINC001606933065 1164033180 /nfs/dbraw/zinc/03/31/80/1164033180.db2.gz FPBGTMFFULCYET-UHFFFAOYSA-N -1 1 285.311 1.420 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1C2CCC1CC2 ZINC001606933065 1164033183 /nfs/dbraw/zinc/03/31/83/1164033183.db2.gz FPBGTMFFULCYET-UHFFFAOYSA-N -1 1 285.311 1.420 20 0 CDADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H]1C[C@@H]1F ZINC001606949677 1164037234 /nfs/dbraw/zinc/03/72/34/1164037234.db2.gz IMFFQIJBSVWTGB-GBXIJSLDSA-N -1 1 288.695 1.273 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1(C(F)F)CC1 ZINC001606982346 1164047458 /nfs/dbraw/zinc/04/74/58/1164047458.db2.gz NHLXSJZVEUBELN-UHFFFAOYSA-N -1 1 295.249 1.350 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1(C(F)F)CC1 ZINC001606982346 1164047463 /nfs/dbraw/zinc/04/74/63/1164047463.db2.gz NHLXSJZVEUBELN-UHFFFAOYSA-N -1 1 295.249 1.350 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@@H]2CCC[C@@H]21 ZINC001607021992 1164062468 /nfs/dbraw/zinc/06/24/68/1164062468.db2.gz JXVASUMGBOUERF-GWCFXTLKSA-N -1 1 298.350 1.666 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@@H]2CCC[C@@H]21 ZINC001607021992 1164062475 /nfs/dbraw/zinc/06/24/75/1164062475.db2.gz JXVASUMGBOUERF-GWCFXTLKSA-N -1 1 298.350 1.666 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N(CC1CC1)CC1CC1 ZINC001607021204 1164063010 /nfs/dbraw/zinc/06/30/10/1164063010.db2.gz KYMOQFJUZOJYHD-UHFFFAOYSA-N -1 1 298.350 1.524 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N(CC1CC1)CC1CC1 ZINC001607021204 1164063017 /nfs/dbraw/zinc/06/30/17/1164063017.db2.gz KYMOQFJUZOJYHD-UHFFFAOYSA-N -1 1 298.350 1.524 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1ccc(Cl)cc1 ZINC001607091725 1164078855 /nfs/dbraw/zinc/07/88/55/1164078855.db2.gz SOXGNOCIMJOWAD-UHFFFAOYSA-N -1 1 287.710 1.730 20 0 CDADMM c1cc(N2CC[C@H](C3CCCC3)C2)nnc1-c1nnn[n-]1 ZINC001607120202 1164103123 /nfs/dbraw/zinc/10/31/23/1164103123.db2.gz QJYKZMXGLMOHHG-NSHDSACASA-N -1 1 285.355 1.673 20 0 CDADMM c1cc(N2CC[C@H](C3CCCC3)C2)nnc1-c1nn[n-]n1 ZINC001607120202 1164103127 /nfs/dbraw/zinc/10/31/27/1164103127.db2.gz QJYKZMXGLMOHHG-NSHDSACASA-N -1 1 285.355 1.673 20 0 CDADMM c1nc(-c2ccccc2)oc1Cn1cc(-c2nn[n-]n2)nn1 ZINC001607125177 1164107895 /nfs/dbraw/zinc/10/78/95/1164107895.db2.gz PHOCRYUHNNPWSK-UHFFFAOYSA-N -1 1 294.278 1.162 20 0 CDADMM c1ccc([C@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)nc1 ZINC001607126247 1164108767 /nfs/dbraw/zinc/10/87/67/1164108767.db2.gz IUPURPNASQPQDI-GFCCVEGCSA-N -1 1 294.322 1.037 20 0 CDADMM c1c(-c2nn[n-]n2)nnn1C[C@@H]1C[C@H]1c1ccccc1 ZINC001607130685 1164111070 /nfs/dbraw/zinc/11/10/70/1164111070.db2.gz DJIUURFBKWUNAI-QWRGUYRKSA-N -1 1 267.296 1.262 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@@H]2C[C@@H]2C2CCCC2)n1 ZINC001607133466 1164112645 /nfs/dbraw/zinc/11/26/45/1164112645.db2.gz GSNLEGLFJRVARQ-WDEREUQCSA-N -1 1 285.355 1.895 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@@H]2C[C@@H]2C2CCCC2)n1 ZINC001607133466 1164112655 /nfs/dbraw/zinc/11/26/55/1164112655.db2.gz GSNLEGLFJRVARQ-WDEREUQCSA-N -1 1 285.355 1.895 20 0 CDADMM c1coc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)c1 ZINC001607135418 1164115461 /nfs/dbraw/zinc/11/54/61/1164115461.db2.gz BJDGBAQZCIFGPY-UHFFFAOYSA-N -1 1 271.284 1.672 20 0 CDADMM c1coc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)c1 ZINC001607135418 1164115465 /nfs/dbraw/zinc/11/54/65/1164115465.db2.gz BJDGBAQZCIFGPY-UHFFFAOYSA-N -1 1 271.284 1.672 20 0 CDADMM Cc1cc(C(=O)[O-])oc1C(=O)N1CCC[C@H]1c1nnc[nH]1 ZINC001607601911 1164234628 /nfs/dbraw/zinc/23/46/28/1164234628.db2.gz JGSKRCZMEFGMJF-QMMMGPOBSA-N -1 1 290.279 1.382 20 0 CDADMM Cc1cc(OCc2noc(CCC(=O)[O-])n2)cc(C)n1 ZINC001607703456 1164274992 /nfs/dbraw/zinc/27/49/92/1164274992.db2.gz XCSANNJEFUMJCJ-UHFFFAOYSA-N -1 1 277.280 1.678 20 0 CDADMM Cc1ncc(C(=O)N2CCc3ccc(C(=O)[O-])nc3C2)[nH]1 ZINC001607946294 1164347701 /nfs/dbraw/zinc/34/77/01/1164347701.db2.gz ZMVBSGZASAFITO-UHFFFAOYSA-N -1 1 286.291 1.010 20 0 CDADMM Cn1ncc(CN2CC[C@@](C(=O)[O-])(c3ccccc3)C2)n1 ZINC001608157700 1164428902 /nfs/dbraw/zinc/42/89/02/1164428902.db2.gz NHBOSSKLAXYXJS-HNNXBMFYSA-N -1 1 286.335 1.043 20 0 CDADMM Cn1nccc1[C@H](NCc1ccc(F)cc1)C(=O)[O-] ZINC001608164113 1164431504 /nfs/dbraw/zinc/43/15/04/1164431504.db2.gz DGPORZHDSXNNPD-LBPRGKRZSA-N -1 1 263.272 1.475 20 0 CDADMM NCc1nccnc1N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001608259196 1164473003 /nfs/dbraw/zinc/47/30/03/1164473003.db2.gz XVNJEYJDERWQMC-MRXNPFEDSA-N -1 1 298.346 1.168 20 0 CDADMM O=C([O-])C1(NC(=O)c2ccc(CN3CCCCC3)o2)CC1 ZINC001608403423 1164509028 /nfs/dbraw/zinc/50/90/28/1164509028.db2.gz CJJYNWOETNWTBQ-UHFFFAOYSA-N -1 1 292.335 1.613 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)C3=CCCCO3)[nH]c21 ZINC001608524142 1164531831 /nfs/dbraw/zinc/53/18/31/1164531831.db2.gz GSUYDDJLRMFRGO-UHFFFAOYSA-N -1 1 287.275 1.894 20 0 CDADMM O=C([O-])[C@H](c1ccc(F)cc1)N1CCCC2(C1)OCCO2 ZINC001608559541 1164545006 /nfs/dbraw/zinc/54/50/06/1164545006.db2.gz OMYQRHXDKHYRJX-ZDUSSCGKSA-N -1 1 295.310 1.790 20 0 CDADMM O=C([O-])C1=CC[C@@H](NCc2c(F)ccc(O)c2F)C1 ZINC001608586493 1164558919 /nfs/dbraw/zinc/55/89/19/1164558919.db2.gz LYUVWYAGOQAXSJ-MRVPVSSYSA-N -1 1 269.247 1.933 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@@H]3CCCN3C3CC3)[C@@H]2C1 ZINC001608651241 1164591355 /nfs/dbraw/zinc/59/13/55/1164591355.db2.gz PQVVWYOBOCNGJC-SFYZRTLMSA-N -1 1 292.379 1.229 20 0 CDADMM O=C([O-])CCc1cccc(NC(=O)CCc2c[nH]nn2)c1 ZINC001608739561 1164624578 /nfs/dbraw/zinc/62/45/78/1164624578.db2.gz BABIKRZWZLFWNR-UHFFFAOYSA-N -1 1 288.307 1.393 20 0 CDADMM O=C([O-])CCc1cccc(NC(=O)CCc2cnn[nH]2)c1 ZINC001608739561 1164624581 /nfs/dbraw/zinc/62/45/81/1164624581.db2.gz BABIKRZWZLFWNR-UHFFFAOYSA-N -1 1 288.307 1.393 20 0 CDADMM O=C([O-])c1cc(CN2CCC(CCF)CC2)on1 ZINC001608842037 1164658789 /nfs/dbraw/zinc/65/87/89/1164658789.db2.gz VOBOSSKKVAPSQA-UHFFFAOYSA-N -1 1 256.277 1.944 20 0 CDADMM O=C([O-])c1cccc(CN2CCC(n3ccnc3)CC2)n1 ZINC001608931075 1164687032 /nfs/dbraw/zinc/68/70/32/1164687032.db2.gz VSYDSILWMJWYKT-UHFFFAOYSA-N -1 1 286.335 1.813 20 0 CDADMM O=C([O-])c1cncc(CN2CCC[C@H](c3ccncn3)C2)c1 ZINC001608980962 1164704778 /nfs/dbraw/zinc/70/47/78/1164704778.db2.gz XNLBQXCRBNTTQH-ZDUSSCGKSA-N -1 1 298.346 1.949 20 0 CDADMM C[C@H](Cc1ccncc1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001609116013 1164780430 /nfs/dbraw/zinc/78/04/30/1164780430.db2.gz UGAPIKGQLJDHOQ-SNVBAGLBSA-N -1 1 281.323 1.122 20 0 CDADMM C[C@H](Cc1ccncc1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001609116013 1164780437 /nfs/dbraw/zinc/78/04/37/1164780437.db2.gz UGAPIKGQLJDHOQ-SNVBAGLBSA-N -1 1 281.323 1.122 20 0 CDADMM C[C@@]1(CNc2cc(-c3nnn[n-]3)ncn2)CCCC[C@H]1O ZINC001609149369 1164795147 /nfs/dbraw/zinc/79/51/47/1164795147.db2.gz KSHZTNHHFRXYKV-MFKMUULPSA-N -1 1 289.343 1.010 20 0 CDADMM C[C@@]1(CNc2cc(-c3nn[n-]n3)ncn2)CCCC[C@H]1O ZINC001609149369 1164795156 /nfs/dbraw/zinc/79/51/56/1164795156.db2.gz KSHZTNHHFRXYKV-MFKMUULPSA-N -1 1 289.343 1.010 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC=C(C)CC2)n1 ZINC001609151473 1164798287 /nfs/dbraw/zinc/79/82/87/1164798287.db2.gz JUGTUUJPPDFQJT-UHFFFAOYSA-N -1 1 257.301 1.122 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC=C(C)CC2)n1 ZINC001609151473 1164798293 /nfs/dbraw/zinc/79/82/93/1164798293.db2.gz JUGTUUJPPDFQJT-UHFFFAOYSA-N -1 1 257.301 1.122 20 0 CDADMM C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)CS1 ZINC001609157913 1164807044 /nfs/dbraw/zinc/80/70/44/1164807044.db2.gz REDOYJZSFUVVDZ-NKWVEPMBSA-N -1 1 279.325 1.084 20 0 CDADMM C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)CS1 ZINC001609157913 1164807050 /nfs/dbraw/zinc/80/70/50/1164807050.db2.gz REDOYJZSFUVVDZ-NKWVEPMBSA-N -1 1 279.325 1.084 20 0 CDADMM C[C@H]1CCCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001609165161 1164810950 /nfs/dbraw/zinc/81/09/50/1164810950.db2.gz GCUPPVVONBHJGE-JTQLQIEISA-N -1 1 258.329 1.888 20 0 CDADMM C[C@H]1CCCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001609165161 1164810953 /nfs/dbraw/zinc/81/09/53/1164810953.db2.gz GCUPPVVONBHJGE-JTQLQIEISA-N -1 1 258.329 1.888 20 0 CDADMM C[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)o2)C[C@@H]1C(=O)[O-] ZINC001609169136 1164814440 /nfs/dbraw/zinc/81/44/40/1164814440.db2.gz UZBOQVFXSQRRMP-SCZZXKLOSA-N -1 1 291.311 1.002 20 0 CDADMM C[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)o2)C[C@@H]1C(=O)[O-] ZINC001609169136 1164814464 /nfs/dbraw/zinc/81/44/64/1164814464.db2.gz UZBOQVFXSQRRMP-SCZZXKLOSA-N -1 1 291.311 1.002 20 0 CDADMM C[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)o2)C[C@@H]1C(=O)[O-] ZINC001609169136 1164814472 /nfs/dbraw/zinc/81/44/72/1164814472.db2.gz UZBOQVFXSQRRMP-SCZZXKLOSA-N -1 1 291.311 1.002 20 0 CDADMM CCC[C@H](O)CNc1snc(C)c1-c1nn[n-]n1 ZINC001609206420 1164836793 /nfs/dbraw/zinc/83/67/93/1164836793.db2.gz YKIHNDRBRKZNBE-ZETCQYMHSA-N -1 1 268.346 1.205 20 0 CDADMM CC[C@H]1CN(c2ccc(C)c(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC001609202775 1164841339 /nfs/dbraw/zinc/84/13/39/1164841339.db2.gz OZABOKBMTSEWKH-QWRGUYRKSA-N -1 1 288.355 1.574 20 0 CDADMM CC[C@H]1CN(c2ccc(C)c(-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC001609202775 1164841344 /nfs/dbraw/zinc/84/13/44/1164841344.db2.gz OZABOKBMTSEWKH-QWRGUYRKSA-N -1 1 288.355 1.574 20 0 CDADMM CO[C@]1(C)CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001609312975 1164893357 /nfs/dbraw/zinc/89/33/57/1164893357.db2.gz ZCDOGOCMWMVHMO-CYBMUJFWSA-N -1 1 289.343 1.052 20 0 CDADMM CO[C@]1(C)CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001609312975 1164893366 /nfs/dbraw/zinc/89/33/66/1164893366.db2.gz ZCDOGOCMWMVHMO-CYBMUJFWSA-N -1 1 289.343 1.052 20 0 CDADMM COC[C@H](OC(=O)c1cc(-c2nnn[n-]2)oc1C)C(C)C ZINC001609317611 1164898924 /nfs/dbraw/zinc/89/89/24/1164898924.db2.gz FLRGKPVPNRMWJY-NSHDSACASA-N -1 1 294.311 1.596 20 0 CDADMM COC[C@H](OC(=O)c1cc(-c2nn[n-]n2)oc1C)C(C)C ZINC001609317611 1164898934 /nfs/dbraw/zinc/89/89/34/1164898934.db2.gz FLRGKPVPNRMWJY-NSHDSACASA-N -1 1 294.311 1.596 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)c2ccccn2)n1 ZINC001609393100 1164924904 /nfs/dbraw/zinc/92/49/04/1164924904.db2.gz ZEDFTXIOBFUIOV-VIFPVBQESA-N -1 1 282.311 1.533 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)c2ccccn2)n1 ZINC001609393100 1164924913 /nfs/dbraw/zinc/92/49/13/1164924913.db2.gz ZEDFTXIOBFUIOV-VIFPVBQESA-N -1 1 282.311 1.533 20 0 CDADMM Cc1ccc(NCc2ccoc2)nc1-c1nnn[n-]1 ZINC001609426465 1164942430 /nfs/dbraw/zinc/94/24/30/1164942430.db2.gz UOEXAYQMEXNCKQ-UHFFFAOYSA-N -1 1 256.269 1.775 20 0 CDADMM Cc1ccc(NCc2ccoc2)nc1-c1nn[n-]n1 ZINC001609426465 1164942435 /nfs/dbraw/zinc/94/24/35/1164942435.db2.gz UOEXAYQMEXNCKQ-UHFFFAOYSA-N -1 1 256.269 1.775 20 0 CDADMM Cc1nsc(N2C[C@@H](C)[C@H](C)C2)c1-c1nn[n-]n1 ZINC001609463749 1164962906 /nfs/dbraw/zinc/96/29/06/1164962906.db2.gz FZKIPNUZTMZFEQ-RNFRBKRXSA-N -1 1 264.358 1.724 20 0 CDADMM C/C(=C\CN[C@@H](c1nncn1C)C(C)C)C(=O)[O-] ZINC001609503225 1164978445 /nfs/dbraw/zinc/97/84/45/1164978445.db2.gz IBIVXYVERSKIGX-NAZIUFLLSA-N -1 1 252.318 1.133 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001609577303 1164992881 /nfs/dbraw/zinc/99/28/81/1164992881.db2.gz GRXQVBIZFFZKOF-CKYFFXLPSA-N -1 1 299.334 1.741 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001609577303 1164992890 /nfs/dbraw/zinc/99/28/90/1164992890.db2.gz GRXQVBIZFFZKOF-CKYFFXLPSA-N -1 1 299.334 1.741 20 0 CDADMM COC[C@H](NC/C=C(/C)C(=O)[O-])c1ccc(C)o1 ZINC001610250965 1165273060 /nfs/dbraw/zinc/27/30/60/1165273060.db2.gz QRUPIEHHGUFHAT-WDDYJBPVSA-N -1 1 253.298 1.896 20 0 CDADMM Cn1nc(CNCc2c[nH]c(C(=O)[O-])c2)c2ccccc21 ZINC001610612252 1165378287 /nfs/dbraw/zinc/37/82/87/1165378287.db2.gz BHWIIQNWPNFASI-UHFFFAOYSA-N -1 1 284.319 1.889 20 0 CDADMM NC1(c2noc(CCc3ccccc3C(=O)[O-])n2)CCC1 ZINC001610643729 1165393476 /nfs/dbraw/zinc/39/34/76/1165393476.db2.gz VSTQAHTXWTUDOG-UHFFFAOYSA-N -1 1 287.319 1.891 20 0 CDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H]1C=CCCC1 ZINC001610653475 1165397531 /nfs/dbraw/zinc/39/75/31/1165397531.db2.gz OSBFJXYYMWDCKE-PWSUYJOCSA-N -1 1 277.324 1.268 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)c3cccnc3)[nH]c21 ZINC001610713252 1165410860 /nfs/dbraw/zinc/41/08/60/1165410860.db2.gz WILCVYHPMIIYNL-UHFFFAOYSA-N -1 1 282.259 1.908 20 0 CDADMM O=C([O-])[C@H]1CC(=O)N(CN2CCC[C@@H]2c2ccccc2)C1 ZINC001610735170 1165422642 /nfs/dbraw/zinc/42/26/42/1165422642.db2.gz NONVUDQVFXABAO-UONOGXRCSA-N -1 1 288.347 1.714 20 0 CDADMM CCO[C@@H](C(=O)Nc1c[n-][nH]c1=O)c1ccccc1 ZINC001611378957 1165491580 /nfs/dbraw/zinc/49/15/80/1165491580.db2.gz AEJWXRDCPPLHFO-LLVKDONJSA-N -1 1 261.281 1.832 20 0 CDADMM Cn1ncc2ccc(CNC(=O)c3ccc([O-])cn3)cc21 ZINC001624902259 1165873765 /nfs/dbraw/zinc/87/37/65/1165873765.db2.gz IEMSKSVXXWUDOI-UHFFFAOYSA-N -1 1 282.303 1.604 20 0 CDADMM CSCC[C@@H](C)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000825941528 1165981783 /nfs/dbraw/zinc/98/17/83/1165981783.db2.gz WMWRYJIVLQUEMZ-MRVPVSSYSA-N -1 1 296.421 1.889 20 0 CDADMM Cc1nnc(C[N-]S(=O)(=O)c2ccccc2Cl)o1 ZINC000041134100 1165993849 /nfs/dbraw/zinc/99/38/49/1165993849.db2.gz WWGDPLKYLWBEFV-UHFFFAOYSA-N -1 1 287.728 1.510 20 0 CDADMM CCOc1cccc(CCC(=O)OCc2nn[n-]n2)c1 ZINC001649224703 1166126357 /nfs/dbraw/zinc/12/63/57/1166126357.db2.gz AHDBZHDCHMGPQO-UHFFFAOYSA-N -1 1 276.296 1.274 20 0 CDADMM Nc1ccnc(C(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001629324244 1166128821 /nfs/dbraw/zinc/12/88/21/1166128821.db2.gz JBKZHMOJYNASKM-UHFFFAOYSA-N -1 1 265.219 1.900 20 0 CDADMM O=C(Nc1cncnc1-n1cccn1)c1cc(F)ccc1[O-] ZINC001631425156 1166276459 /nfs/dbraw/zinc/27/64/59/1166276459.db2.gz YUVYGSAHCRFICH-UHFFFAOYSA-N -1 1 299.265 1.759 20 0 CDADMM CCc1ccc(C(=O)Nc2n[nH]cc2OC)c([O-])c1 ZINC001631758596 1166301390 /nfs/dbraw/zinc/30/13/90/1166301390.db2.gz DKXXVPGRMSDKGP-UHFFFAOYSA-N -1 1 261.281 1.939 20 0 CDADMM CN(CCn1cccn1)C(=O)c1cccc([O-])c1F ZINC001633652912 1166440983 /nfs/dbraw/zinc/44/09/83/1166440983.db2.gz JASJUGWEORDFLN-UHFFFAOYSA-N -1 1 263.272 1.500 20 0 CDADMM Cc1nc([N-]C(=O)c2onc3ccccc32)nn1C ZINC001637767755 1166786117 /nfs/dbraw/zinc/78/61/17/1166786117.db2.gz HVLNHSOTUUCBBU-UHFFFAOYSA-N -1 1 257.253 1.517 20 0 CDADMM COc1cc([N-]C(=O)c2nc(-c3cnccn3)no2)ccn1 ZINC001638260322 1166832902 /nfs/dbraw/zinc/83/29/02/1166832902.db2.gz ZRFLSSUVPASHQK-UHFFFAOYSA-N -1 1 298.262 1.183 20 0 CDADMM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1ccc[n+]([O-])c1 ZINC000054200339 1166920654 /nfs/dbraw/zinc/92/06/54/1166920654.db2.gz CJOBYKAZYZXQBU-SECBINFHSA-N -1 1 292.320 1.275 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CCCc2nn(C)cc21 ZINC001645811144 1167516495 /nfs/dbraw/zinc/51/64/95/1167516495.db2.gz NFYVKDYJISJIDL-MRVPVSSYSA-N -1 1 275.312 1.216 20 0 CDADMM O=C([O-])c1cncc(CN2CCS[C@H]3COCC[C@@H]32)c1 ZINC001646496713 1167881590 /nfs/dbraw/zinc/88/15/90/1167881590.db2.gz ZSLWHLCUMXZTPF-STQMWFEESA-N -1 1 294.376 1.486 20 0 CDADMM CCN(C[C@@H]1CCOC1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001650011438 1169601709 /nfs/dbraw/zinc/60/17/09/1169601709.db2.gz WHFUTHWRUYHWOU-JTQLQIEISA-N -1 1 291.351 1.558 20 0 CDADMM CC(C)C[C@@H](CNCc1nccn1C)NC(=O)[O-] ZINC001573502915 1170675488 /nfs/dbraw/zinc/67/54/88/1170675488.db2.gz QJKWOZFJOVLWBG-JTQLQIEISA-N -1 1 254.334 1.192 20 0 CDADMM O=C(CN1CCC[C@H](C(=O)[O-])C1)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001574299565 1170943305 /nfs/dbraw/zinc/94/33/05/1170943305.db2.gz OLHIGHPTXMFNQL-MROQNXINSA-N -1 1 280.368 1.088 20 0 CDADMM O=C([O-])c1cc(CN2CC[C@H](c3ncccn3)C2)on1 ZINC001574407864 1170974812 /nfs/dbraw/zinc/97/48/12/1170974812.db2.gz DRFCBHLVWPNQMB-VIFPVBQESA-N -1 1 274.280 1.152 20 0 CDADMM C[C@H](NC(=O)c1cccc(F)c1[O-])c1c[nH]nn1 ZINC001575658320 1171239168 /nfs/dbraw/zinc/23/91/68/1171239168.db2.gz KWTYDMKZRFUTTH-LURJTMIESA-N -1 1 250.233 1.140 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cccc(-c2nc[nH]n2)c1 ZINC001651044594 1171281305 /nfs/dbraw/zinc/28/13/05/1171281305.db2.gz QEMIESMTZRWEBV-UHFFFAOYSA-N -1 1 270.252 1.153 20 0 CDADMM C[C@H]1Cc2ccccc2CN1c1cncc(-c2nnn[n-]2)n1 ZINC001576386721 1171410989 /nfs/dbraw/zinc/41/09/89/1171410989.db2.gz VOSSBGRJQSQLIO-JTQLQIEISA-N -1 1 293.334 1.608 20 0 CDADMM C[C@H]1Cc2ccccc2CN1c1cncc(-c2nn[n-]n2)n1 ZINC001576386721 1171410992 /nfs/dbraw/zinc/41/09/92/1171410992.db2.gz VOSSBGRJQSQLIO-JTQLQIEISA-N -1 1 293.334 1.608 20 0 CDADMM CCc1ccc(OCC(=O)Nc2c[n-][nH]c2=O)cc1 ZINC001654599807 1171621729 /nfs/dbraw/zinc/62/17/29/1171621729.db2.gz AWPJPYMETZUWSU-UHFFFAOYSA-N -1 1 261.281 1.695 20 0 CDADMM CCCN(C(=O)c1coc(-c2nnn[n-]2)c1)c1cccnc1 ZINC001577547896 1171694384 /nfs/dbraw/zinc/69/43/84/1171694384.db2.gz WTGVKLWIXPNUPK-UHFFFAOYSA-N -1 1 298.306 1.912 20 0 CDADMM CCCN(C(=O)c1coc(-c2nn[n-]n2)c1)c1cccnc1 ZINC001577547896 1171694397 /nfs/dbraw/zinc/69/43/97/1171694397.db2.gz WTGVKLWIXPNUPK-UHFFFAOYSA-N -1 1 298.306 1.912 20 0 CDADMM COc1ccc(C)cc1Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001579990519 1172317053 /nfs/dbraw/zinc/31/70/53/1172317053.db2.gz AUCRVBBJDRRAGP-UHFFFAOYSA-N -1 1 297.318 1.394 20 0 CDADMM Cc1ccc(Cn2cc(C)cc(-c3nn[n-]n3)c2=O)cc1 ZINC001581202435 1172593936 /nfs/dbraw/zinc/59/39/36/1172593936.db2.gz RUMXFPSKEVLTDS-UHFFFAOYSA-N -1 1 281.319 1.694 20 0 CDADMM Clc1ccc(CNc2cncc(-c3nnn[n-]3)n2)s1 ZINC001581746156 1172620119 /nfs/dbraw/zinc/62/01/19/1172620119.db2.gz LVGHVSYYIFWTDV-UHFFFAOYSA-N -1 1 293.743 1.984 20 0 CDADMM Clc1ccc(CNc2cncc(-c3nn[n-]n3)n2)s1 ZINC001581746156 1172620123 /nfs/dbraw/zinc/62/01/23/1172620123.db2.gz LVGHVSYYIFWTDV-UHFFFAOYSA-N -1 1 293.743 1.984 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C(F)(F)C(F)F ZINC001582644822 1172687102 /nfs/dbraw/zinc/68/71/02/1172687102.db2.gz GQWBDJAVFJYIGY-UHFFFAOYSA-N -1 1 290.180 1.101 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C(F)(F)C(F)F ZINC001582644822 1172687107 /nfs/dbraw/zinc/68/71/07/1172687107.db2.gz GQWBDJAVFJYIGY-UHFFFAOYSA-N -1 1 290.180 1.101 20 0 CDADMM C=C/C=C\CCNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001588531087 1173076644 /nfs/dbraw/zinc/07/66/44/1173076644.db2.gz YKOLEYHJNBRXOJ-ARJAWSKDSA-N -1 1 284.323 1.053 20 0 CDADMM C=C/C=C\CCNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001588531087 1173076649 /nfs/dbraw/zinc/07/66/49/1173076649.db2.gz YKOLEYHJNBRXOJ-ARJAWSKDSA-N -1 1 284.323 1.053 20 0 CDADMM CC(C)(NC(=O)c1coc(-c2nnn[n-]2)c1)C1CC1 ZINC001589322108 1173137716 /nfs/dbraw/zinc/13/77/16/1173137716.db2.gz QMSHKKAYJJMHCB-UHFFFAOYSA-N -1 1 261.285 1.378 20 0 CDADMM CC(C)(NC(=O)c1coc(-c2nn[n-]n2)c1)C1CC1 ZINC001589322108 1173137720 /nfs/dbraw/zinc/13/77/20/1173137720.db2.gz QMSHKKAYJJMHCB-UHFFFAOYSA-N -1 1 261.285 1.378 20 0 CDADMM CC(C)[C@H](O)C(C)(C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001589475812 1173148430 /nfs/dbraw/zinc/14/84/30/1173148430.db2.gz KSPGQPYHKDOLFU-NSHDSACASA-N -1 1 291.359 1.112 20 0 CDADMM CC(C)[C@H](O)C(C)(C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001589475812 1173148434 /nfs/dbraw/zinc/14/84/34/1173148434.db2.gz KSPGQPYHKDOLFU-NSHDSACASA-N -1 1 291.359 1.112 20 0 CDADMM CC(C)[C@@H]1C[C@H]1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589502140 1173151643 /nfs/dbraw/zinc/15/16/43/1173151643.db2.gz NMLCTZQGNHERBO-QWRGUYRKSA-N -1 1 287.323 1.711 20 0 CDADMM CC(C)[C@@H]1C[C@H]1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589502140 1173151647 /nfs/dbraw/zinc/15/16/47/1173151647.db2.gz NMLCTZQGNHERBO-QWRGUYRKSA-N -1 1 287.323 1.711 20 0 CDADMM CC(C)OC1CN(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001589739923 1173170249 /nfs/dbraw/zinc/17/02/49/1173170249.db2.gz UMACAWJFXKAVAB-UHFFFAOYSA-N -1 1 263.301 1.069 20 0 CDADMM CC(C)OC1CN(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001589739923 1173170253 /nfs/dbraw/zinc/17/02/53/1173170253.db2.gz UMACAWJFXKAVAB-UHFFFAOYSA-N -1 1 263.301 1.069 20 0 CDADMM CC(C)c1nnc(CNc2cccnc2-c2nnn[n-]2)n1C ZINC001589778977 1173178251 /nfs/dbraw/zinc/17/82/51/1173178251.db2.gz UDQRETWWSBMVFH-UHFFFAOYSA-N -1 1 299.342 1.126 20 0 CDADMM CC(C)c1nnc(CNc2cccnc2-c2nn[n-]n2)n1C ZINC001589778977 1173178257 /nfs/dbraw/zinc/17/82/57/1173178257.db2.gz UDQRETWWSBMVFH-UHFFFAOYSA-N -1 1 299.342 1.126 20 0 CDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001589880003 1173191780 /nfs/dbraw/zinc/19/17/80/1173191780.db2.gz XFHSHHBAIOLDKX-MRVPVSSYSA-N -1 1 261.333 1.751 20 0 CDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001589880003 1173191783 /nfs/dbraw/zinc/19/17/83/1173191783.db2.gz XFHSHHBAIOLDKX-MRVPVSSYSA-N -1 1 261.333 1.751 20 0 CDADMM C[C@@H](F)CCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001589912369 1173204260 /nfs/dbraw/zinc/20/42/60/1173204260.db2.gz WCENBHSPFZXNLG-MRVPVSSYSA-N -1 1 287.302 1.970 20 0 CDADMM C[C@@H](F)CCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001589912369 1173204263 /nfs/dbraw/zinc/20/42/63/1173204263.db2.gz WCENBHSPFZXNLG-MRVPVSSYSA-N -1 1 287.302 1.970 20 0 CDADMM C[C@@H](NCc1nc(-c2nnn[n-]2)cs1)c1ccccn1 ZINC001589975230 1173217519 /nfs/dbraw/zinc/21/75/19/1173217519.db2.gz BDLZPVMITJFVQB-MRVPVSSYSA-N -1 1 287.352 1.569 20 0 CDADMM C[C@@H](NCc1nc(-c2nn[n-]n2)cs1)c1ccccn1 ZINC001589975230 1173217523 /nfs/dbraw/zinc/21/75/23/1173217523.db2.gz BDLZPVMITJFVQB-MRVPVSSYSA-N -1 1 287.352 1.569 20 0 CDADMM CC(C)n1cc([C@H](C)Nc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC001589985795 1173221036 /nfs/dbraw/zinc/22/10/36/1173221036.db2.gz QIMCSUPDDXLXIO-JTQLQIEISA-N -1 1 298.354 1.634 20 0 CDADMM CC(C)n1cc([C@H](C)Nc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC001589985795 1173221047 /nfs/dbraw/zinc/22/10/47/1173221047.db2.gz QIMCSUPDDXLXIO-JTQLQIEISA-N -1 1 298.354 1.634 20 0 CDADMM C[C@@H](c1ccc(F)cc1)N(C)c1cc(-c2nnn[n-]2)ncn1 ZINC001590040543 1173238145 /nfs/dbraw/zinc/23/81/45/1173238145.db2.gz OUUDHZYNVZLCAT-VIFPVBQESA-N -1 1 299.313 1.993 20 0 CDADMM C[C@@H](c1ccc(F)cc1)N(C)c1cc(-c2nn[n-]n2)ncn1 ZINC001590040543 1173238151 /nfs/dbraw/zinc/23/81/51/1173238151.db2.gz OUUDHZYNVZLCAT-VIFPVBQESA-N -1 1 299.313 1.993 20 0 CDADMM C[C@@]1(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CC1(F)F ZINC001590068745 1173242713 /nfs/dbraw/zinc/24/27/13/1173242713.db2.gz OPOFVIPGUDOMPH-JTQLQIEISA-N -1 1 299.306 1.590 20 0 CDADMM C[C@@H]1CC[C@H](C)N(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590226594 1173303732 /nfs/dbraw/zinc/30/37/32/1173303732.db2.gz DLLKFMNBQCSPPV-ZJUUUORDSA-N -1 1 286.339 1.522 20 0 CDADMM C[C@@H]1CC[C@H](C)N(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590226594 1173303739 /nfs/dbraw/zinc/30/37/39/1173303739.db2.gz DLLKFMNBQCSPPV-ZJUUUORDSA-N -1 1 286.339 1.522 20 0 CDADMM C[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590231260 1173306620 /nfs/dbraw/zinc/30/66/20/1173306620.db2.gz PWSDYKXRSPPECX-ZJUUUORDSA-N -1 1 286.339 1.428 20 0 CDADMM C[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590231260 1173306628 /nfs/dbraw/zinc/30/66/28/1173306628.db2.gz PWSDYKXRSPPECX-ZJUUUORDSA-N -1 1 286.339 1.428 20 0 CDADMM C[C@@H]1CCC[C@@H](Cn2cnc(-c3nn[n-]n3)cc2=O)C1 ZINC001590239686 1173310813 /nfs/dbraw/zinc/31/08/13/1173310813.db2.gz ADIYMIWRRVZINN-NXEZZACHSA-N -1 1 274.328 1.250 20 0 CDADMM C[C@@H]1CCC[C@H]1CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001590245857 1173317175 /nfs/dbraw/zinc/31/71/75/1173317175.db2.gz ASJCTUUYYYHFJU-SFYZADRCSA-N -1 1 275.316 1.112 20 0 CDADMM CCC(C)(C)C(=O)Cn1ccc(C)c(-c2nn[n-]n2)c1=O ZINC001590372149 1173380801 /nfs/dbraw/zinc/38/08/01/1173380801.db2.gz PJVZKKWXXXTATI-UHFFFAOYSA-N -1 1 289.339 1.342 20 0 CDADMM CCC(O)(CC)CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590473099 1173424414 /nfs/dbraw/zinc/42/44/14/1173424414.db2.gz CLYSMTJPRFSNPD-UHFFFAOYSA-N -1 1 291.359 1.318 20 0 CDADMM CCC(O)(CC)CCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590473099 1173424418 /nfs/dbraw/zinc/42/44/18/1173424418.db2.gz CLYSMTJPRFSNPD-UHFFFAOYSA-N -1 1 291.359 1.318 20 0 CDADMM CC[C@@]1(CO)CCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001590495694 1173433484 /nfs/dbraw/zinc/43/34/84/1173433484.db2.gz ITCZWRORESGDRE-CQSZACIVSA-N -1 1 288.355 1.251 20 0 CDADMM CC[C@@]1(CO)CCCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001590495694 1173433488 /nfs/dbraw/zinc/43/34/88/1173433488.db2.gz ITCZWRORESGDRE-CQSZACIVSA-N -1 1 288.355 1.251 20 0 CDADMM CCC1(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590492068 1173434795 /nfs/dbraw/zinc/43/47/95/1173434795.db2.gz GUMHYBUOJZMFOI-UHFFFAOYSA-N -1 1 287.327 1.573 20 0 CDADMM CCC1(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590492068 1173434801 /nfs/dbraw/zinc/43/48/01/1173434801.db2.gz GUMHYBUOJZMFOI-UHFFFAOYSA-N -1 1 287.327 1.573 20 0 CDADMM CCC[C@H](C)N(C)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590549717 1173456956 /nfs/dbraw/zinc/45/69/56/1173456956.db2.gz FEEVOLZNFWMLGH-JTQLQIEISA-N -1 1 288.355 1.451 20 0 CDADMM CCC[C@H](C)N(C)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590549717 1173456960 /nfs/dbraw/zinc/45/69/60/1173456960.db2.gz FEEVOLZNFWMLGH-JTQLQIEISA-N -1 1 288.355 1.451 20 0 CDADMM CCC/C(C)=C\C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001590543465 1173457710 /nfs/dbraw/zinc/45/77/10/1173457710.db2.gz MTDIRJYHVUZCCM-NTMALXAHSA-N -1 1 286.339 1.971 20 0 CDADMM CCC/C(C)=C\C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001590543465 1173457712 /nfs/dbraw/zinc/45/77/12/1173457712.db2.gz MTDIRJYHVUZCCM-NTMALXAHSA-N -1 1 286.339 1.971 20 0 CDADMM CCN(CC(C)(C)O)c1ccc(C)c(-c2nnn[n-]2)n1 ZINC001590682486 1173488357 /nfs/dbraw/zinc/48/83/57/1173488357.db2.gz KHBUKNQZSBTGFV-UHFFFAOYSA-N -1 1 276.344 1.167 20 0 CDADMM CCN(CC(C)(C)O)c1ccc(C)c(-c2nn[n-]n2)n1 ZINC001590682486 1173488363 /nfs/dbraw/zinc/48/83/63/1173488363.db2.gz KHBUKNQZSBTGFV-UHFFFAOYSA-N -1 1 276.344 1.167 20 0 CDADMM CCN(CC(C)(C)C)c1cncc(-c2nnn[n-]2)n1 ZINC001590683121 1173488699 /nfs/dbraw/zinc/48/86/99/1173488699.db2.gz WBRZQFXRZIXQBO-UHFFFAOYSA-N -1 1 261.333 1.529 20 0 CDADMM CCN(CC(C)(C)C)c1cncc(-c2nn[n-]n2)n1 ZINC001590683121 1173488700 /nfs/dbraw/zinc/48/87/00/1173488700.db2.gz WBRZQFXRZIXQBO-UHFFFAOYSA-N -1 1 261.333 1.529 20 0 CDADMM CCO[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001590784236 1173510143 /nfs/dbraw/zinc/51/01/43/1173510143.db2.gz OYYGXGMZKFKIEE-NSHDSACASA-N -1 1 291.359 1.520 20 0 CDADMM CCO[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001590784236 1173510148 /nfs/dbraw/zinc/51/01/48/1173510148.db2.gz OYYGXGMZKFKIEE-NSHDSACASA-N -1 1 291.359 1.520 20 0 CDADMM CCOCCOC(=O)c1sccc1-c1nn[n-]n1 ZINC001590815632 1173520091 /nfs/dbraw/zinc/52/00/91/1173520091.db2.gz VJDQANQOFWCLGT-UHFFFAOYSA-N -1 1 268.298 1.122 20 0 CDADMM CCc1[nH]ccc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001590871107 1173534212 /nfs/dbraw/zinc/53/42/12/1173534212.db2.gz PWWBLJDUCNOCGP-UHFFFAOYSA-N -1 1 298.306 1.715 20 0 CDADMM CCc1nc(N[C@@H]2CSC[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001590917047 1173541620 /nfs/dbraw/zinc/54/16/20/1173541620.db2.gz ZYMAQJKNCJTHDM-IONNQARKSA-N -1 1 291.384 1.383 20 0 CDADMM CCc1nc(N[C@@H]2CSC[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001590917047 1173541625 /nfs/dbraw/zinc/54/16/25/1173541625.db2.gz ZYMAQJKNCJTHDM-IONNQARKSA-N -1 1 291.384 1.383 20 0 CDADMM CCc1nc(NCCC(C)(C)CO)cc(-c2nnn[n-]2)n1 ZINC001590920359 1173543653 /nfs/dbraw/zinc/54/36/53/1173543653.db2.gz UGJJIPOFSJSDDC-UHFFFAOYSA-N -1 1 291.359 1.040 20 0 CDADMM CCc1nc(NCCC(C)(C)CO)cc(-c2nn[n-]n2)n1 ZINC001590920359 1173543657 /nfs/dbraw/zinc/54/36/57/1173543657.db2.gz UGJJIPOFSJSDDC-UHFFFAOYSA-N -1 1 291.359 1.040 20 0 CDADMM CN(C[C@@H]1CC1(C)C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001591049911 1173566045 /nfs/dbraw/zinc/56/60/45/1173566045.db2.gz AWMJZDIKFIPPGL-JTQLQIEISA-N -1 1 286.339 1.380 20 0 CDADMM CN(C[C@@H]1CC1(C)C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001591049911 1173566050 /nfs/dbraw/zinc/56/60/50/1173566050.db2.gz AWMJZDIKFIPPGL-JTQLQIEISA-N -1 1 286.339 1.380 20 0 CDADMM COC(=O)[C@@H](CC1CC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591233006 1173595665 /nfs/dbraw/zinc/59/56/65/1173595665.db2.gz VVUFQMAPWXVGIL-SNVBAGLBSA-N -1 1 288.311 1.015 20 0 CDADMM COC(=O)[C@@H](CC1CC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591233006 1173595676 /nfs/dbraw/zinc/59/56/76/1173595676.db2.gz VVUFQMAPWXVGIL-SNVBAGLBSA-N -1 1 288.311 1.015 20 0 CDADMM COC(=O)C[C@@H](C)SCc1nc(-c2nnn[n-]2)cs1 ZINC001591259445 1173596071 /nfs/dbraw/zinc/59/60/71/1173596071.db2.gz WIHNRRSAVWHRBS-ZCFIWIBFSA-N -1 1 299.381 1.508 20 0 CDADMM COC(=O)C[C@@H](C)SCc1nc(-c2nn[n-]n2)cs1 ZINC001591259445 1173596074 /nfs/dbraw/zinc/59/60/74/1173596074.db2.gz WIHNRRSAVWHRBS-ZCFIWIBFSA-N -1 1 299.381 1.508 20 0 CDADMM COC(=O)/C(C)=C/CNc1nc(-c2nn[n-]n2)ccc1C ZINC001591229778 1173597226 /nfs/dbraw/zinc/59/72/26/1173597226.db2.gz VVHGVHVCCUWOEP-RMKNXTFCSA-N -1 1 288.311 1.101 20 0 CDADMM COC1(CNc2cnc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001591342119 1173620215 /nfs/dbraw/zinc/62/02/15/1173620215.db2.gz ATPHGZKQAHYVDD-UHFFFAOYSA-N -1 1 289.343 1.418 20 0 CDADMM COC1(CNc2cnc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001591342119 1173620218 /nfs/dbraw/zinc/62/02/18/1173620218.db2.gz ATPHGZKQAHYVDD-UHFFFAOYSA-N -1 1 289.343 1.418 20 0 CDADMM CO[C@@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)n2)C12CCC2 ZINC001591350226 1173623220 /nfs/dbraw/zinc/62/32/20/1173623220.db2.gz OTVLJGCCESMIHO-WDEREUQCSA-N -1 1 286.339 1.631 20 0 CDADMM CO[C@@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)n2)C12CCC2 ZINC001591350226 1173623225 /nfs/dbraw/zinc/62/32/25/1173623225.db2.gz OTVLJGCCESMIHO-WDEREUQCSA-N -1 1 286.339 1.631 20 0 CDADMM CO[C@@H]1CCC[C@@H](OC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001591354017 1173625127 /nfs/dbraw/zinc/62/51/27/1173625127.db2.gz HSXOFWUYBSITTA-NXEZZACHSA-N -1 1 292.295 1.574 20 0 CDADMM CO[C@@H]1CCC[C@@H](OC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001591354017 1173625131 /nfs/dbraw/zinc/62/51/31/1173625131.db2.gz HSXOFWUYBSITTA-NXEZZACHSA-N -1 1 292.295 1.574 20 0 CDADMM CO[C@H]1CCC[C@@H]1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591359076 1173628158 /nfs/dbraw/zinc/62/81/58/1173628158.db2.gz AJWDWAZWUBFXGT-WPRPVWTQSA-N -1 1 288.311 1.015 20 0 CDADMM CO[C@H]1CCC[C@@H]1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591359076 1173628160 /nfs/dbraw/zinc/62/81/60/1173628160.db2.gz AJWDWAZWUBFXGT-WPRPVWTQSA-N -1 1 288.311 1.015 20 0 CDADMM CO[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001591358881 1173629247 /nfs/dbraw/zinc/62/92/47/1173629247.db2.gz SEVSGMQYBXNPSM-VHSXEESVSA-N -1 1 274.328 1.265 20 0 CDADMM CO[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001591358881 1173629250 /nfs/dbraw/zinc/62/92/50/1173629250.db2.gz SEVSGMQYBXNPSM-VHSXEESVSA-N -1 1 274.328 1.265 20 0 CDADMM COCC(C)(C)CCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591368909 1173630369 /nfs/dbraw/zinc/63/03/69/1173630369.db2.gz UGFUSNWWRUOHMD-UHFFFAOYSA-N -1 1 293.327 1.252 20 0 CDADMM COCC(C)(C)CCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591368909 1173630375 /nfs/dbraw/zinc/63/03/75/1173630375.db2.gz UGFUSNWWRUOHMD-UHFFFAOYSA-N -1 1 293.327 1.252 20 0 CDADMM CO[C@@H]1CCC[C@@H]1CNc1nc(-c2nn[n-]n2)ccc1C ZINC001591360734 1173632244 /nfs/dbraw/zinc/63/22/44/1173632244.db2.gz JRUKIFCMBRMFRT-ZYHUDNBSSA-N -1 1 288.355 1.797 20 0 CDADMM COCCOC[C@@H](C)Nc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001591437610 1173652461 /nfs/dbraw/zinc/65/24/61/1173652461.db2.gz URPDJFFLVNGHJY-SNVBAGLBSA-N -1 1 292.343 1.034 20 0 CDADMM COCCOC[C@@H](C)Nc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001591437610 1173652463 /nfs/dbraw/zinc/65/24/63/1173652463.db2.gz URPDJFFLVNGHJY-SNVBAGLBSA-N -1 1 292.343 1.034 20 0 CDADMM COCc1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001591457037 1173653587 /nfs/dbraw/zinc/65/35/87/1173653587.db2.gz KXAANAOZXXZAIO-UHFFFAOYSA-N -1 1 299.290 1.858 20 0 CDADMM COCc1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001591457037 1173653591 /nfs/dbraw/zinc/65/35/91/1173653591.db2.gz KXAANAOZXXZAIO-UHFFFAOYSA-N -1 1 299.290 1.858 20 0 CDADMM COc1cc(C)cc(CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001591520160 1173664881 /nfs/dbraw/zinc/66/48/81/1173664881.db2.gz NQCFJLHCSCLLBK-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1cc(C)cc(CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001591520160 1173664883 /nfs/dbraw/zinc/66/48/83/1173664883.db2.gz NQCFJLHCSCLLBK-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccco1 ZINC001591733013 1173694750 /nfs/dbraw/zinc/69/47/50/1173694750.db2.gz VJAUYMZPLGFAAN-MRVPVSSYSA-N -1 1 285.263 1.773 20 0 CDADMM C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccco1 ZINC001591733013 1173694751 /nfs/dbraw/zinc/69/47/51/1173694751.db2.gz VJAUYMZPLGFAAN-MRVPVSSYSA-N -1 1 285.263 1.773 20 0 CDADMM C[C@H]1CC[C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001591772432 1173699122 /nfs/dbraw/zinc/69/91/22/1173699122.db2.gz ZNZBZCQAGRDIQM-CZMCAQCFSA-N -1 1 275.312 1.768 20 0 CDADMM C[C@H]1CC[C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001591772432 1173699124 /nfs/dbraw/zinc/69/91/24/1173699124.db2.gz ZNZBZCQAGRDIQM-CZMCAQCFSA-N -1 1 275.312 1.768 20 0 CDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1)C1CC1 ZINC001591770949 1173700001 /nfs/dbraw/zinc/70/00/01/1173700001.db2.gz CHTHSEXDQAHOFB-LURJTMIESA-N -1 1 293.714 1.870 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C)C[C@@H]2C)n1 ZINC001591884425 1173738129 /nfs/dbraw/zinc/73/81/29/1173738129.db2.gz ZNHBRNZYSBVGEP-CBAPKCEASA-N -1 1 259.317 1.200 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C)C[C@@H]2C)n1 ZINC001591884425 1173738133 /nfs/dbraw/zinc/73/81/33/1173738133.db2.gz ZNHBRNZYSBVGEP-CBAPKCEASA-N -1 1 259.317 1.200 20 0 CDADMM Cc1cc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)c(C)o1 ZINC001591929301 1173747661 /nfs/dbraw/zinc/74/76/61/1173747661.db2.gz VVHYKZGSOICFFD-UHFFFAOYSA-N -1 1 298.306 1.402 20 0 CDADMM Cc1cc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c(C)o1 ZINC001591929301 1173747669 /nfs/dbraw/zinc/74/76/69/1173747669.db2.gz VVHYKZGSOICFFD-UHFFFAOYSA-N -1 1 298.306 1.402 20 0 CDADMM Cc1cc(COc2cnc(-c3nn[n-]n3)nc2)sn1 ZINC001591972904 1173762506 /nfs/dbraw/zinc/76/25/06/1173762506.db2.gz MCOSPKLBHOGLAL-UHFFFAOYSA-N -1 1 275.297 1.001 20 0 CDADMM Cc1cc(N[C@@H]2CC23CCOCC3)nc(-c2nnn[n-]2)c1 ZINC001592036783 1173778016 /nfs/dbraw/zinc/77/80/16/1173778016.db2.gz YPGLVAMJAILGLF-LLVKDONJSA-N -1 1 286.339 1.551 20 0 CDADMM Cc1cc(N[C@@H]2CC23CCOCC3)nc(-c2nn[n-]n2)c1 ZINC001592036783 1173778020 /nfs/dbraw/zinc/77/80/20/1173778020.db2.gz YPGLVAMJAILGLF-LLVKDONJSA-N -1 1 286.339 1.551 20 0 CDADMM Cc1cc(NC[C@@H]2C[C@@H](C)O[C@H]2C)nc(-c2nnn[n-]2)c1 ZINC001592043474 1173783960 /nfs/dbraw/zinc/78/39/60/1173783960.db2.gz GRRXECBUEQBUKV-VWYCJHECSA-N -1 1 288.355 1.796 20 0 CDADMM Cc1cc(NC[C@@H]2C[C@@H](C)O[C@H]2C)nc(-c2nn[n-]n2)c1 ZINC001592043474 1173783964 /nfs/dbraw/zinc/78/39/64/1173783964.db2.gz GRRXECBUEQBUKV-VWYCJHECSA-N -1 1 288.355 1.796 20 0 CDADMM Cc1ccc(CCNc2nccnc2-c2nnn[n-]2)cc1C ZINC001592151071 1173810897 /nfs/dbraw/zinc/81/08/97/1173810897.db2.gz GEWQCBQJZDLWHP-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(CCNc2nccnc2-c2nn[n-]n2)cc1C ZINC001592151071 1173810903 /nfs/dbraw/zinc/81/09/03/1173810903.db2.gz GEWQCBQJZDLWHP-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(N(C)CC2CCOCC2)c(-c2nnn[n-]2)n1 ZINC001592175186 1173822537 /nfs/dbraw/zinc/82/25/37/1173822537.db2.gz JHKDKFBZVZLTCD-UHFFFAOYSA-N -1 1 288.355 1.433 20 0 CDADMM Cc1ccc(N(C)CC2CCOCC2)c(-c2nn[n-]n2)n1 ZINC001592175186 1173822541 /nfs/dbraw/zinc/82/25/41/1173822541.db2.gz JHKDKFBZVZLTCD-UHFFFAOYSA-N -1 1 288.355 1.433 20 0 CDADMM Cc1ccc(N2C[C@@H](C)S[C@H](C)C2)nc1-c1nnn[n-]1 ZINC001592175789 1173822977 /nfs/dbraw/zinc/82/29/77/1173822977.db2.gz VFBRDFNZLUKCGI-NXEZZACHSA-N -1 1 290.396 1.900 20 0 CDADMM Cc1ccc(N2C[C@@H](C)S[C@H](C)C2)nc1-c1nn[n-]n1 ZINC001592175789 1173822981 /nfs/dbraw/zinc/82/29/81/1173822981.db2.gz VFBRDFNZLUKCGI-NXEZZACHSA-N -1 1 290.396 1.900 20 0 CDADMM Cc1ccc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)c(O)c1 ZINC001592180808 1173825311 /nfs/dbraw/zinc/82/53/11/1173825311.db2.gz PINGJOYJRRFAEH-UHFFFAOYSA-N -1 1 296.290 1.528 20 0 CDADMM Cc1ccc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)c(O)c1 ZINC001592180808 1173825316 /nfs/dbraw/zinc/82/53/16/1173825316.db2.gz PINGJOYJRRFAEH-UHFFFAOYSA-N -1 1 296.290 1.528 20 0 CDADMM Cc1ccc(N[C@@H]2CCS[C@@H]2C)c(-c2nnn[n-]2)n1 ZINC001592185026 1173830780 /nfs/dbraw/zinc/83/07/80/1173830780.db2.gz ZXCKPUMFEOBREB-RKDXNWHRSA-N -1 1 276.369 1.876 20 0 CDADMM Cc1ccc(N[C@@H]2CCS[C@@H]2C)c(-c2nn[n-]n2)n1 ZINC001592185026 1173830781 /nfs/dbraw/zinc/83/07/81/1173830781.db2.gz ZXCKPUMFEOBREB-RKDXNWHRSA-N -1 1 276.369 1.876 20 0 CDADMM Cc1ncsc1CNc1ccc(C)nc1-c1nnn[n-]1 ZINC001592185122 1173831217 /nfs/dbraw/zinc/83/12/17/1173831217.db2.gz IZOIBWCDUNTYKX-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1ncsc1CNc1ccc(C)nc1-c1nn[n-]n1 ZINC001592185122 1173831222 /nfs/dbraw/zinc/83/12/22/1173831222.db2.gz IZOIBWCDUNTYKX-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1ccc(N[C@H]2COC3(CCC3)C2)nc1-c1nnn[n-]1 ZINC001592184971 1173831728 /nfs/dbraw/zinc/83/17/28/1173831728.db2.gz ZCQAODLMUHZCRF-SNVBAGLBSA-N -1 1 286.339 1.694 20 0 CDADMM Cc1ccc(N[C@H]2COC3(CCC3)C2)nc1-c1nn[n-]n1 ZINC001592184971 1173831730 /nfs/dbraw/zinc/83/17/30/1173831730.db2.gz ZCQAODLMUHZCRF-SNVBAGLBSA-N -1 1 286.339 1.694 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1ncccc1C ZINC001592262954 1173839630 /nfs/dbraw/zinc/83/96/30/1173839630.db2.gz GCNDPVKJMXSMLF-UHFFFAOYSA-N -1 1 298.306 1.402 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1ncccc1C ZINC001592262954 1173839635 /nfs/dbraw/zinc/83/96/35/1173839635.db2.gz GCNDPVKJMXSMLF-UHFFFAOYSA-N -1 1 298.306 1.402 20 0 CDADMM Cc1conc1CNc1snc(C)c1-c1nn[n-]n1 ZINC001592311713 1173852537 /nfs/dbraw/zinc/85/25/37/1173852537.db2.gz HGYOPHGIJYWOGR-UHFFFAOYSA-N -1 1 277.313 1.540 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC(C)(C)C[C@@H]2C)n1 ZINC001592337340 1173860696 /nfs/dbraw/zinc/86/06/96/1173860696.db2.gz HEIQCLLDMUIRBF-QMMMGPOBSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC(C)(C)C[C@@H]2C)n1 ZINC001592337340 1173860701 /nfs/dbraw/zinc/86/07/01/1173860701.db2.gz HEIQCLLDMUIRBF-QMMMGPOBSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1ncc(COc2ccc(F)nc2-c2nn[n-]n2)cn1 ZINC001592410355 1173882211 /nfs/dbraw/zinc/88/22/11/1173882211.db2.gz LUHIFMGRKSWBMD-UHFFFAOYSA-N -1 1 287.258 1.078 20 0 CDADMM Cc1nsc(N(C)C(=O)C=C2CCC2)c1-c1nnn[n-]1 ZINC001592468096 1173895905 /nfs/dbraw/zinc/89/59/05/1173895905.db2.gz AWAQDBAGJNYEBW-UHFFFAOYSA-N -1 1 290.352 1.705 20 0 CDADMM Cc1nsc(N(C)C(=O)C=C2CCC2)c1-c1nn[n-]n1 ZINC001592468096 1173895908 /nfs/dbraw/zinc/89/59/08/1173895908.db2.gz AWAQDBAGJNYEBW-UHFFFAOYSA-N -1 1 290.352 1.705 20 0 CDADMM FC1(F)CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001592627726 1173934737 /nfs/dbraw/zinc/93/47/37/1173934737.db2.gz CXOZLBOAOYOKOX-MRVPVSSYSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(F)CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001592627726 1173934740 /nfs/dbraw/zinc/93/47/40/1173934740.db2.gz CXOZLBOAOYOKOX-MRVPVSSYSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(F)CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001592628322 1173936133 /nfs/dbraw/zinc/93/61/33/1173936133.db2.gz QYFWXHJBZVGPGT-UHFFFAOYSA-N -1 1 293.281 1.380 20 0 CDADMM FC1(F)CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001592628322 1173936139 /nfs/dbraw/zinc/93/61/39/1173936139.db2.gz QYFWXHJBZVGPGT-UHFFFAOYSA-N -1 1 293.281 1.380 20 0 CDADMM F[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001592632813 1173945086 /nfs/dbraw/zinc/94/50/86/1173945086.db2.gz UPUYUXPTIRCECJ-MRVPVSSYSA-N -1 1 275.291 1.082 20 0 CDADMM F[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001592632813 1173945091 /nfs/dbraw/zinc/94/50/91/1173945091.db2.gz UPUYUXPTIRCECJ-MRVPVSSYSA-N -1 1 275.291 1.082 20 0 CDADMM Fc1ccc(COc2cnc(-c3nn[n-]n3)nc2)cc1F ZINC001592651492 1173953344 /nfs/dbraw/zinc/95/33/44/1173953344.db2.gz NTLAGPQROAJOCR-UHFFFAOYSA-N -1 1 290.233 1.514 20 0 CDADMM O=C(N[C@H]1CC12CCCCC2)c1coc(-c2nnn[n-]2)c1 ZINC001592966751 1174008838 /nfs/dbraw/zinc/00/88/38/1174008838.db2.gz GTMWIEYAUHSAPG-NSHDSACASA-N -1 1 287.323 1.912 20 0 CDADMM O=C(N[C@H]1CC12CCCCC2)c1coc(-c2nn[n-]n2)c1 ZINC001592966751 1174008841 /nfs/dbraw/zinc/00/88/41/1174008841.db2.gz GTMWIEYAUHSAPG-NSHDSACASA-N -1 1 287.323 1.912 20 0 CDADMM O=C(NC1CCCCCC1)c1coc(-c2nnn[n-]2)c1 ZINC001592977231 1174011081 /nfs/dbraw/zinc/01/10/81/1174011081.db2.gz SMMUTUGQPOCIAK-UHFFFAOYSA-N -1 1 275.312 1.912 20 0 CDADMM O=C(NC1CCCCCC1)c1coc(-c2nn[n-]n2)c1 ZINC001592977231 1174011085 /nfs/dbraw/zinc/01/10/85/1174011085.db2.gz SMMUTUGQPOCIAK-UHFFFAOYSA-N -1 1 275.312 1.912 20 0 CDADMM O=C(NCc1ccco1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593147202 1174025957 /nfs/dbraw/zinc/02/59/57/1174025957.db2.gz FTFFYZMRRKCPRD-UHFFFAOYSA-N -1 1 287.254 1.529 20 0 CDADMM O=C(NCc1ccco1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593147202 1174025962 /nfs/dbraw/zinc/02/59/62/1174025962.db2.gz FTFFYZMRRKCPRD-UHFFFAOYSA-N -1 1 287.254 1.529 20 0 CDADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1cc[nH]c1 ZINC001593195864 1174031140 /nfs/dbraw/zinc/03/11/40/1174031140.db2.gz FRFNGMUGHAMICE-UHFFFAOYSA-N -1 1 284.283 1.048 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@H]1C[C@H]1C1CC1 ZINC001593301117 1174060043 /nfs/dbraw/zinc/06/00/43/1174060043.db2.gz BTWQDXVECRDJOO-QWRGUYRKSA-N -1 1 285.307 1.351 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@H]1C[C@H]1C1CC1 ZINC001593301117 1174060048 /nfs/dbraw/zinc/06/00/48/1174060048.db2.gz BTWQDXVECRDJOO-QWRGUYRKSA-N -1 1 285.307 1.351 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1C2CCC1CC2 ZINC001593359223 1174070665 /nfs/dbraw/zinc/07/06/65/1174070665.db2.gz YOYWLRQDOSXQGP-UHFFFAOYSA-N -1 1 270.296 1.029 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1C2CCC1CC2 ZINC001593359223 1174070668 /nfs/dbraw/zinc/07/06/68/1174070668.db2.gz YOYWLRQDOSXQGP-UHFFFAOYSA-N -1 1 270.296 1.029 20 0 CDADMM O=C(c1ccsc1-c1nnn[n-]1)N1CC[C@H](C2CC2)C1 ZINC001593360928 1174071964 /nfs/dbraw/zinc/07/19/64/1174071964.db2.gz KUIBACXBMKMNBR-VIFPVBQESA-N -1 1 289.364 1.800 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1CC[C@H]1CCCC1(F)F ZINC001593493120 1174088811 /nfs/dbraw/zinc/08/88/11/1174088811.db2.gz YXRXQSRLEAAJHD-SECBINFHSA-N -1 1 295.293 1.854 20 0 CDADMM O[C@@H]1CCC[C@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001593536082 1174108884 /nfs/dbraw/zinc/10/88/84/1174108884.db2.gz ADEVCFOVTDLOLO-RFZPGFLSSA-N -1 1 286.748 1.302 20 0 CDADMM c1cc(-c2nn[n-]n2)sc1Cn1cnc(C2CC2)n1 ZINC001593551672 1174125145 /nfs/dbraw/zinc/12/51/45/1174125145.db2.gz PVKXWCWQWXYGTP-UHFFFAOYSA-N -1 1 273.325 1.445 20 0 CDADMM c1[nH]nc(NCc2cccc3cnccc32)c1-c1nnn[n-]1 ZINC001593553419 1174126589 /nfs/dbraw/zinc/12/65/89/1174126589.db2.gz AFORFBBQQGUEST-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1[nH]nc(NCc2cccc3cnccc32)c1-c1nn[n-]n1 ZINC001593553419 1174126592 /nfs/dbraw/zinc/12/65/92/1174126592.db2.gz AFORFBBQQGUEST-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC[C@]12C[C@H]1CCCC2 ZINC001593552284 1174127496 /nfs/dbraw/zinc/12/74/96/1174127496.db2.gz YYERDOOYHLMLQA-RNCFNFMXSA-N -1 1 271.328 1.649 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC[C@]12C[C@H]1CCCC2 ZINC001593552284 1174127501 /nfs/dbraw/zinc/12/75/01/1174127501.db2.gz YYERDOOYHLMLQA-RNCFNFMXSA-N -1 1 271.328 1.649 20 0 CDADMM c1cc2c(s1)CCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001593557877 1174134142 /nfs/dbraw/zinc/13/41/42/1174134142.db2.gz AEKWHFLQMFDYBL-UHFFFAOYSA-N -1 1 285.336 1.281 20 0 CDADMM c1cc2c(cc1Nc1cnc(-c3nnn[n-]3)cn1)OCCO2 ZINC001593564504 1174137961 /nfs/dbraw/zinc/13/79/61/1174137961.db2.gz IBRMBNPOELCEFJ-UHFFFAOYSA-N -1 1 297.278 1.172 20 0 CDADMM c1cc2c(cc1Nc1cnc(-c3nn[n-]n3)cn1)OCCO2 ZINC001593564504 1174137964 /nfs/dbraw/zinc/13/79/64/1174137964.db2.gz IBRMBNPOELCEFJ-UHFFFAOYSA-N -1 1 297.278 1.172 20 0 CDADMM c1c(-c2nn[n-]n2)nnn1C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC001593570735 1174142150 /nfs/dbraw/zinc/14/21/50/1174142150.db2.gz IHLXHZXWOVGADC-AAEUAGOBSA-N -1 1 297.322 1.379 20 0 CDADMM c1ccc(CC2(Nc3ccnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001593571765 1174143762 /nfs/dbraw/zinc/14/37/62/1174143762.db2.gz DNZZEQKHKLCMBR-UHFFFAOYSA-N -1 1 293.334 1.266 20 0 CDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CC(C2CC2)C1 ZINC001593577508 1174144545 /nfs/dbraw/zinc/14/45/45/1174144545.db2.gz CCGDSDMDGNXQCU-UHFFFAOYSA-N -1 1 293.334 1.656 20 0 CDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CC(C2CC2)C1 ZINC001593577508 1174144549 /nfs/dbraw/zinc/14/45/49/1174144549.db2.gz CCGDSDMDGNXQCU-UHFFFAOYSA-N -1 1 293.334 1.656 20 0 CDADMM c1ccc2c(c1)CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001593580037 1174147280 /nfs/dbraw/zinc/14/72/80/1174147280.db2.gz HNNBJHLBGQXRKN-UHFFFAOYSA-N -1 1 265.280 1.351 20 0 CDADMM c1ccc2c(c1)CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001593580037 1174147283 /nfs/dbraw/zinc/14/72/83/1174147283.db2.gz HNNBJHLBGQXRKN-UHFFFAOYSA-N -1 1 265.280 1.351 20 0 CDADMM c1cn(C[C@@H]2CCCC3(CCC3)O2)c(-c2nnn[n-]2)n1 ZINC001593582021 1174147595 /nfs/dbraw/zinc/14/75/95/1174147595.db2.gz BSYJHPMCSWCTML-JTQLQIEISA-N -1 1 274.328 1.555 20 0 CDADMM c1cn(C[C@@H]2CCCC3(CCC3)O2)c(-c2nn[n-]n2)n1 ZINC001593582021 1174147596 /nfs/dbraw/zinc/14/75/96/1174147596.db2.gz BSYJHPMCSWCTML-JTQLQIEISA-N -1 1 274.328 1.555 20 0 CDADMM c1nnc(CSCc2nc(-c3nnn[n-]3)cs2)s1 ZINC001593594553 1174162563 /nfs/dbraw/zinc/16/25/63/1174162563.db2.gz SKVBIRXGLOAFLC-UHFFFAOYSA-N -1 1 297.394 1.608 20 0 CDADMM c1nnc(CSCc2nc(-c3nn[n-]n3)cs2)s1 ZINC001593594553 1174162565 /nfs/dbraw/zinc/16/25/65/1174162565.db2.gz SKVBIRXGLOAFLC-UHFFFAOYSA-N -1 1 297.394 1.608 20 0 CDADMM c1sc(-c2nn[n-]n2)cc1-c1nc(CC2CC2)no1 ZINC001593594348 1174162733 /nfs/dbraw/zinc/16/27/33/1174162733.db2.gz QRCBWAXVVQRCHD-UHFFFAOYSA-N -1 1 274.309 1.931 20 0 CDADMM Cc1cc(CN2CCC[C@@H]2C(N)=O)ccc1C(=O)[O-] ZINC001600196867 1174402562 /nfs/dbraw/zinc/40/25/62/1174402562.db2.gz JHVUEMVZHMSZLF-GFCCVEGCSA-N -1 1 262.309 1.143 20 0 CDADMM Cc1ccc(NC(=O)[C@H](C)N(C)C)c(C(=O)[O-])c1C ZINC001600455400 1174481229 /nfs/dbraw/zinc/48/12/29/1174481229.db2.gz RTCDPLXVPATCEJ-JTQLQIEISA-N -1 1 264.325 1.890 20 0 CDADMM Cc1ccccc1[C@@H]1C(=O)NCCN1CC1(C(=O)[O-])CC1 ZINC001600576397 1174511847 /nfs/dbraw/zinc/51/18/47/1174511847.db2.gz FLSUYORODWDACW-CYBMUJFWSA-N -1 1 288.347 1.333 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC001601580151 1174906500 /nfs/dbraw/zinc/90/65/00/1174906500.db2.gz YHYQSCTZZRZWHH-DTWKUNHWSA-N -1 1 287.275 1.442 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)c(F)c1O ZINC001601607383 1174912998 /nfs/dbraw/zinc/91/29/98/1174912998.db2.gz YBHWSWJNTQILNL-CRCLSJGQSA-N -1 1 257.192 1.330 20 0 CDADMM O=C([O-])[C@H](CC(F)F)NCc1cn(-c2ccccc2)nn1 ZINC001601639204 1174921718 /nfs/dbraw/zinc/92/17/18/1174921718.db2.gz NMPSUMVYYPGXPG-NSHDSACASA-N -1 1 296.277 1.465 20 0 CDADMM O=C([O-])[C@H](OC(=O)[C@H]1CCCN1C1CCCC1)C1CC1 ZINC001601690212 1174945829 /nfs/dbraw/zinc/94/58/29/1174945829.db2.gz YWIGLEHUNUZSCJ-CHWSQXEVSA-N -1 1 281.352 1.800 20 0 CDADMM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1nncs1 ZINC001601757709 1174991700 /nfs/dbraw/zinc/99/17/00/1174991700.db2.gz XZPKCOWQAIBXGS-XKSSXDPKSA-N -1 1 253.327 1.223 20 0 CDADMM O=C([O-])C1CC2(C1)C[N@@H+](C[C@@H]1CC=CCC1)C[C@@H]2C(=O)[O-] ZINC001601780496 1175004486 /nfs/dbraw/zinc/00/44/86/1175004486.db2.gz JNNDKSDFMNYJNC-ISGSLZAZSA-N -1 1 293.363 1.840 20 0 CDADMM O=C([O-])/C=C/c1ccc(CN2CCSC[C@@H]2CCO)o1 ZINC001601879886 1175048735 /nfs/dbraw/zinc/04/87/35/1175048735.db2.gz PCJWRBQQVMVYKP-UFFNRZRYSA-N -1 1 297.376 1.677 20 0 CDADMM O=C([O-])C[C@H]1CCCN1CN1Cc2ccc(F)cc2C1=O ZINC001601955310 1175085063 /nfs/dbraw/zinc/08/50/63/1175085063.db2.gz VFVDKATTWIPFLO-GFCCVEGCSA-N -1 1 292.310 1.678 20 0 CDADMM O=C([O-])Cc1ccc(NC(=O)c2cncc3nc[nH]c32)cc1 ZINC001602126559 1175136881 /nfs/dbraw/zinc/13/68/81/1175136881.db2.gz GFQRGNDUFJJRAD-UHFFFAOYSA-N -1 1 296.286 1.837 20 0 CDADMM O=C([O-])[C@@H](F)CNC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC001602168763 1175149810 /nfs/dbraw/zinc/14/98/10/1175149810.db2.gz BKNLKPMJZRCTFX-VHSXEESVSA-N -1 1 279.670 1.525 20 0 CDADMM O=C([O-])[C@H]1CCCCN1CC[S@](=O)C(F)(F)F ZINC001602211832 1175167486 /nfs/dbraw/zinc/16/74/86/1175167486.db2.gz PWGJQZQASNSFLR-GJEGPGMTSA-N -1 1 273.276 1.194 20 0 CDADMM O=C([O-])c1cc(CN2C[C@H](O)C3(CC3)C2)n2c1CCCC2 ZINC001602256671 1175184971 /nfs/dbraw/zinc/18/49/71/1175184971.db2.gz NHCJXSJZUWYSCT-AWEZNQCLSA-N -1 1 290.363 1.479 20 0 CDADMM O=C([O-])c1cc(CNCCOc2ccc(F)cc2)on1 ZINC001602260218 1175187532 /nfs/dbraw/zinc/18/75/32/1175187532.db2.gz PHMMRMOHHDNWIJ-UHFFFAOYSA-N -1 1 280.255 1.681 20 0 CDADMM O=C([O-])c1n[nH]c2c1CN(C[C@H]1CCCCO1)CC2 ZINC001602567861 1175301288 /nfs/dbraw/zinc/30/12/88/1175301288.db2.gz WWPNBISTZGZWIC-SECBINFHSA-N -1 1 265.313 1.035 20 0 CDADMM O=C([O-])[C@]12CCC[C@H]1C[N@@H+](CN1C[C@@H](C3CC3)CC1=O)C2 ZINC001602634791 1175331783 /nfs/dbraw/zinc/33/17/83/1175331783.db2.gz GUYIGCWWZLSQDO-XEZPLFJOSA-N -1 1 292.379 1.389 20 0 CDADMM C/C(=C/CN1CCC=C(c2cnn(C)c2)C1)C(=O)[O-] ZINC001602963168 1175462417 /nfs/dbraw/zinc/46/24/17/1175462417.db2.gz WTCRDKGZHDMRQD-WZUFQYTHSA-N -1 1 261.325 1.540 20 0 CDADMM C/C(=C\CN1CCN(Cc2ccc(O)cc2)CC1)C(=O)[O-] ZINC001602964125 1175462519 /nfs/dbraw/zinc/46/25/19/1175462519.db2.gz NKZHNRAGLCUPMN-AWNIVKPZSA-N -1 1 290.363 1.541 20 0 CDADMM CC(C)(C(=O)Nc1n[nH]cc1-c1nnn[n-]1)C(F)(F)F ZINC001603048971 1175482652 /nfs/dbraw/zinc/48/26/52/1175482652.db2.gz XZGCUPYEPDXESE-UHFFFAOYSA-N -1 1 289.221 1.117 20 0 CDADMM CC(C)(C(=O)Nc1n[nH]cc1-c1nn[n-]n1)C(F)(F)F ZINC001603048971 1175482658 /nfs/dbraw/zinc/48/26/58/1175482658.db2.gz XZGCUPYEPDXESE-UHFFFAOYSA-N -1 1 289.221 1.117 20 0 CDADMM CC(C)(CNc1ncncc1-c1nn[n-]n1)c1ccccn1 ZINC001603151318 1175502070 /nfs/dbraw/zinc/50/20/70/1175502070.db2.gz KGUKFVVXOJGCHS-UHFFFAOYSA-N -1 1 296.338 1.441 20 0 CDADMM CC(C)(O)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001603171495 1175506643 /nfs/dbraw/zinc/50/66/43/1175506643.db2.gz NCHXDRHLGXKCGT-UHFFFAOYSA-N -1 1 288.764 1.550 20 0 CDADMM CC(C)(O)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001603171495 1175506647 /nfs/dbraw/zinc/50/66/47/1175506647.db2.gz NCHXDRHLGXKCGT-UHFFFAOYSA-N -1 1 288.764 1.550 20 0 CDADMM CC(C)(C)[C@@H](NCC(=O)Nc1nccs1)C(=O)[O-] ZINC001603309647 1175536825 /nfs/dbraw/zinc/53/68/25/1175536825.db2.gz FJZMVLMWVITWPM-QMMMGPOBSA-N -1 1 271.342 1.171 20 0 CDADMM CC(C)OCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001603353523 1175546169 /nfs/dbraw/zinc/54/61/69/1175546169.db2.gz AWCZFAFYIMVCLQ-UHFFFAOYSA-N -1 1 299.338 1.647 20 0 CDADMM CC(C)OCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001603353523 1175546176 /nfs/dbraw/zinc/54/61/76/1175546176.db2.gz AWCZFAFYIMVCLQ-UHFFFAOYSA-N -1 1 299.338 1.647 20 0 CDADMM CC(C)n1cc(OC(=O)c2ccc(-c3nn[n-]n3)o2)cn1 ZINC001603430914 1175553909 /nfs/dbraw/zinc/55/39/09/1175553909.db2.gz VRZCBMCQJRYIGL-UHFFFAOYSA-N -1 1 288.267 1.456 20 0 CDADMM C[C@@H](CNc1ncncc1-c1nn[n-]n1)c1ccncc1 ZINC001603564988 1175565063 /nfs/dbraw/zinc/56/50/63/1175565063.db2.gz DXVSUBACUJGJRK-VIFPVBQESA-N -1 1 282.311 1.267 20 0 CDADMM CC(C)(C)c1nc(CSc2nc(C(=O)[O-])c[nH]2)n[nH]1 ZINC001603557009 1175565918 /nfs/dbraw/zinc/56/59/18/1175565918.db2.gz RSPLKNWQOSYTLT-UHFFFAOYSA-N -1 1 281.341 1.816 20 0 CDADMM CC1(C)CCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001603772703 1175627179 /nfs/dbraw/zinc/62/71/79/1175627179.db2.gz CQRNBGJASQLXFK-SECBINFHSA-N -1 1 259.317 1.647 20 0 CDADMM CC1(C)CCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001603772703 1175627182 /nfs/dbraw/zinc/62/71/82/1175627182.db2.gz CQRNBGJASQLXFK-SECBINFHSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@@H]1CC2(CCC2)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001603870859 1175661965 /nfs/dbraw/zinc/66/19/65/1175661965.db2.gz HJQOGUCKITWAEP-SECBINFHSA-N -1 1 271.328 1.426 20 0 CDADMM C[C@@H]1CC2(CCC2)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001603870859 1175661970 /nfs/dbraw/zinc/66/19/70/1175661970.db2.gz HJQOGUCKITWAEP-SECBINFHSA-N -1 1 271.328 1.426 20 0 CDADMM C[C@H]1CC[C@H](COc2cccc(F)c2-c2nnn[n-]2)O1 ZINC001603878744 1175665967 /nfs/dbraw/zinc/66/59/67/1175665967.db2.gz YTXCGOLJWCJVCR-DTWKUNHWSA-N -1 1 278.287 1.952 20 0 CDADMM C[C@H]1CC[C@H](COc2cccc(F)c2-c2nn[n-]n2)O1 ZINC001603878744 1175665970 /nfs/dbraw/zinc/66/59/70/1175665970.db2.gz YTXCGOLJWCJVCR-DTWKUNHWSA-N -1 1 278.287 1.952 20 0 CDADMM C[C@H]1Cc2ccccc2CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001603953463 1175696747 /nfs/dbraw/zinc/69/67/47/1175696747.db2.gz WXPKFEQKKHRMMK-JTQLQIEISA-N -1 1 293.334 1.608 20 0 CDADMM C[C@H]1Cc2ccccc2CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001603953463 1175696752 /nfs/dbraw/zinc/69/67/52/1175696752.db2.gz WXPKFEQKKHRMMK-JTQLQIEISA-N -1 1 293.334 1.608 20 0 CDADMM CCC(=CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)CC ZINC001603963842 1175700235 /nfs/dbraw/zinc/70/02/35/1175700235.db2.gz OTEDFRCBGDKVQK-UHFFFAOYSA-N -1 1 286.339 1.624 20 0 CDADMM CCC(=CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)CC ZINC001603963842 1175700241 /nfs/dbraw/zinc/70/02/41/1175700241.db2.gz OTEDFRCBGDKVQK-UHFFFAOYSA-N -1 1 286.339 1.624 20 0 CDADMM CCC(C)(C)CCn1cncc(-c2nn[n-]n2)c1=O ZINC001603981641 1175706716 /nfs/dbraw/zinc/70/67/16/1175706716.db2.gz CAWRAJBCTBAFOF-UHFFFAOYSA-N -1 1 262.317 1.250 20 0 CDADMM CC[C@H](C)C[C@H](CO)Nc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001604001391 1175714292 /nfs/dbraw/zinc/71/42/92/1175714292.db2.gz TZWUHTVTYNGVTR-GXSJLCMTSA-N -1 1 290.371 1.779 20 0 CDADMM CC[C@H](C)C[C@H](CO)Nc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001604001391 1175714298 /nfs/dbraw/zinc/71/42/98/1175714298.db2.gz TZWUHTVTYNGVTR-GXSJLCMTSA-N -1 1 290.371 1.779 20 0 CDADMM CC[C@@H](C)CCNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001604004567 1175717636 /nfs/dbraw/zinc/71/76/36/1175717636.db2.gz IRLCNLTXXPXZFT-SECBINFHSA-N -1 1 274.328 1.428 20 0 CDADMM CC[C@@H](C)CCNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001604004567 1175717639 /nfs/dbraw/zinc/71/76/39/1175717639.db2.gz IRLCNLTXXPXZFT-SECBINFHSA-N -1 1 274.328 1.428 20 0 CDADMM CC[C@@H](C[C@H](C)CO)Nc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001604015520 1175721057 /nfs/dbraw/zinc/72/10/57/1175721057.db2.gz JOSMSBIWYPYNID-QWRGUYRKSA-N -1 1 290.371 1.779 20 0 CDADMM CC[C@@H](C[C@H](C)CO)Nc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001604015520 1175721063 /nfs/dbraw/zinc/72/10/63/1175721063.db2.gz JOSMSBIWYPYNID-QWRGUYRKSA-N -1 1 290.371 1.779 20 0 CDADMM CC[C@@H](CSC)Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001604040296 1175728325 /nfs/dbraw/zinc/72/83/25/1175728325.db2.gz ZIZHRCZPPYZXQI-QMMMGPOBSA-N -1 1 279.373 1.519 20 0 CDADMM CC[C@@H](CSC)Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001604040296 1175728335 /nfs/dbraw/zinc/72/83/35/1175728335.db2.gz ZIZHRCZPPYZXQI-QMMMGPOBSA-N -1 1 279.373 1.519 20 0 CDADMM CCCCS(=O)(=O)[N-]c1cc(OC)ccc1O ZINC000223894277 1178080640 /nfs/dbraw/zinc/08/06/40/1178080640.db2.gz HVPXPXGKXLFCST-UHFFFAOYSA-N -1 1 259.327 1.943 20 0 CDADMM C[C@H]1CN(C2CC2)CCN1C(=O)CC(C)(C)C(=O)[O-] ZINC000402605859 1186446565 /nfs/dbraw/zinc/44/65/65/1186446565.db2.gz PKNDOAUELKRSDB-JTQLQIEISA-N -1 1 268.357 1.182 20 0 CDADMM COC(=O)[C@@H]1CCCC[C@H]1CN1CCO[C@H](CC(=O)[O-])C1 ZINC001606405711 1163891234 /nfs/dbraw/zinc/89/12/34/1163891234.db2.gz WTTIRVAHAGETTP-YNEHKIRRSA-N -1 1 299.367 1.141 20 0 CDADMM COC(=O)/C=C/c1ccc(CN[C@H](CC2CC2)C(=O)[O-])o1 ZINC001606434613 1163896069 /nfs/dbraw/zinc/89/60/69/1163896069.db2.gz YBHRVECXYGKMJV-KTRBRXNASA-N -1 1 293.319 1.809 20 0 CDADMM COC(CCN[C@@H](C)c1ncc(C(=O)[O-])s1)OC ZINC001606668467 1163954777 /nfs/dbraw/zinc/95/47/77/1163954777.db2.gz LNUNDZMTWPNFJS-ZETCQYMHSA-N -1 1 274.342 1.501 20 0 CDADMM O=C(NOC/C=C/Cl)c1cccc(F)c1-c1nnn[n-]1 ZINC001606863003 1164017398 /nfs/dbraw/zinc/01/73/98/1164017398.db2.gz OXWGNGFHDGBEQQ-GORDUTHDSA-N -1 1 297.677 1.420 20 0 CDADMM O=C(NOC/C=C/Cl)c1cccc(F)c1-c1nn[n-]n1 ZINC001606863003 1164017403 /nfs/dbraw/zinc/01/74/03/1164017403.db2.gz OXWGNGFHDGBEQQ-GORDUTHDSA-N -1 1 297.677 1.420 20 0 CDADMM c1csc(CCNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001607136213 1164116496 /nfs/dbraw/zinc/11/64/96/1164116496.db2.gz AEDAQGGQKJUDBA-UHFFFAOYSA-N -1 1 273.325 1.373 20 0 CDADMM c1csc(CCNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001607136213 1164116498 /nfs/dbraw/zinc/11/64/98/1164116498.db2.gz AEDAQGGQKJUDBA-UHFFFAOYSA-N -1 1 273.325 1.373 20 0 CDADMM c1sc(CSC[C@@H]2CCCO2)nc1-c1nnn[n-]1 ZINC001607138121 1164118071 /nfs/dbraw/zinc/11/80/71/1164118071.db2.gz OBOVZUPPPOAJJO-ZETCQYMHSA-N -1 1 283.382 1.735 20 0 CDADMM c1sc(CSC[C@@H]2CCCO2)nc1-c1nn[n-]n1 ZINC001607138121 1164118079 /nfs/dbraw/zinc/11/80/79/1164118079.db2.gz OBOVZUPPPOAJJO-ZETCQYMHSA-N -1 1 283.382 1.735 20 0 CDADMM CS[C@H]1CC[C@H](N(C)Cn2cc(C(=O)[O-])nn2)C1 ZINC001607392309 1164164270 /nfs/dbraw/zinc/16/42/70/1164164270.db2.gz RSAHVIVYEAHNOV-IUCAKERBSA-N -1 1 270.358 1.150 20 0 CDADMM Cc1[nH]c(C(=O)CN[C@H](CO)C(C)(C)C)c(C)c1C(=O)[O-] ZINC001607487044 1164200429 /nfs/dbraw/zinc/20/04/29/1164200429.db2.gz OGZDACKBGATIND-LLVKDONJSA-N -1 1 296.367 1.509 20 0 CDADMM Cc1[nH]c(C(=O)N2CCN(C)[C@@H](C)[C@H]2C)c(C)c1C(=O)[O-] ZINC001607489104 1164201772 /nfs/dbraw/zinc/20/17/72/1164201772.db2.gz ODGNMWIFRZYMTE-WDEREUQCSA-N -1 1 293.367 1.494 20 0 CDADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN[C@]12CCC[C@H]1OCC2 ZINC001607493443 1164204812 /nfs/dbraw/zinc/20/48/12/1164204812.db2.gz BOCIENSFQKRNBJ-HIFRSBDPSA-N -1 1 292.335 1.505 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CDADMM NC(=O)[C@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000053891772 361297863 /nfs/dbraw/zinc/29/78/63/361297863.db2.gz SLXUFWNKPRBIIU-LBPRGKRZSA-N -1 1 284.315 1.493 20 0 CDADMM CC[C@@H](O)[C@@H](CC)NC(=O)c1c(F)ccc([O-])c1F ZINC000456682390 363753432 /nfs/dbraw/zinc/75/34/32/363753432.db2.gz XHKCNPDFLYWDLW-RKDXNWHRSA-N -1 1 273.279 1.950 20 0 CDADMM CSc1ccsc1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000183452566 189359330 /nfs/dbraw/zinc/35/93/30/189359330.db2.gz HSLHZAWMMTZUBA-ZETCQYMHSA-N -1 1 297.409 1.859 20 0 CDADMM CSc1n[nH]c(NC(=O)c2cc(F)c([O-])c(F)c2)n1 ZINC000436532531 361528249 /nfs/dbraw/zinc/52/82/49/361528249.db2.gz RVCHHXJJMPKQNP-UHFFFAOYSA-N -1 1 286.263 1.763 20 0 CDADMM Cc1cccc2c1CC[C@H]2NC(=O)CCCc1nn[n-]n1 ZINC000635504267 361535979 /nfs/dbraw/zinc/53/59/79/361535979.db2.gz OIMIHTJCQNQGCW-CYBMUJFWSA-N -1 1 285.351 1.635 20 0 CDADMM COCCO[C@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000436649712 361550221 /nfs/dbraw/zinc/55/02/21/361550221.db2.gz SOJXKNAOPNWPAC-LBPRGKRZSA-N -1 1 297.326 1.799 20 0 CDADMM O=C(NCCn1ccccc1=O)c1ccc(Cl)cc1[O-] ZINC000436546703 361530008 /nfs/dbraw/zinc/53/00/08/361530008.db2.gz LBDCPQAWMDKPLP-UHFFFAOYSA-N -1 1 292.722 1.637 20 0 CDADMM O=C(N[C@@H](CO)CC(F)F)c1cc(F)ccc1[O-] ZINC000436880952 361598850 /nfs/dbraw/zinc/59/88/50/361598850.db2.gz LTGWMQYSFYTWQS-SSDOTTSWSA-N -1 1 263.215 1.277 20 0 CDADMM COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)[N-][C@@H](C)C(C)(F)F ZINC000389271173 361577243 /nfs/dbraw/zinc/57/72/43/361577243.db2.gz LRHBILLZZLHSSN-YIZRAAEISA-N -1 1 299.339 1.291 20 0 CDADMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)C(=O)OC(C)(C)C ZINC000436956699 361621130 /nfs/dbraw/zinc/62/11/30/361621130.db2.gz TWMUTKWCFAHIQC-SECBINFHSA-N -1 1 293.319 1.421 20 0 CDADMM O=C(CCCc1nn[n-]n1)NC1CCC(C2CCC2)CC1 ZINC000636230158 363814451 /nfs/dbraw/zinc/81/44/51/363814451.db2.gz SIJFLMLSESGZHN-UHFFFAOYSA-N -1 1 291.399 1.998 20 0 CDADMM CCO[C@@H]1C[C@H](NC(=O)CCc2nn[n-]n2)C1(CC)CC ZINC000631634006 363855175 /nfs/dbraw/zinc/85/51/75/363855175.db2.gz 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O=C(C(=O)N1CCN2CCCC[C@@H]2C1)c1ccc([O-])cc1 ZINC000280809948 367545208 /nfs/dbraw/zinc/54/52/08/367545208.db2.gz QMEQTCHJQSEMRE-CYBMUJFWSA-N -1 1 288.347 1.272 20 0 CDADMM COc1csc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c1 ZINC000358387695 367650076 /nfs/dbraw/zinc/65/00/76/367650076.db2.gz YYISFBKSGKJJID-ZETCQYMHSA-N -1 1 281.341 1.146 20 0 CDADMM CC(C)c1ccoc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000367353593 367967810 /nfs/dbraw/zinc/96/78/10/367967810.db2.gz MFCGOYFUEOMYHN-SNVBAGLBSA-N -1 1 291.311 1.130 20 0 CDADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CCc2nnnn2CC1 ZINC000530005683 368109254 /nfs/dbraw/zinc/10/92/54/368109254.db2.gz LGZCMBVCXGMMKB-MRVPVSSYSA-N -1 1 291.286 1.109 20 0 CDADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CCc2n[nH]cc2C1 ZINC000530005946 368110036 /nfs/dbraw/zinc/11/00/36/368110036.db2.gz OWNZYZSYURIPJI-QMMMGPOBSA-N -1 1 275.283 1.998 20 0 CDADMM Cc1cc(C)cc([C@@H](O)CNC(=O)c2cncc([O-])c2)c1 ZINC000282949692 368117947 /nfs/dbraw/zinc/11/79/47/368117947.db2.gz HBQKNAMXEXJJBI-HNNXBMFYSA-N -1 1 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/nfs/dbraw/zinc/36/65/41/317366541.db2.gz IBPQIXGIUUTQNN-ZWNOBZJWSA-N -1 1 257.330 1.515 20 0 CDADMM Cc1nc(C)c(CNCc2nc(-c3nnn[n-]3)cs2)o1 ZINC001592357348 1173867763 /nfs/dbraw/zinc/86/77/63/1173867763.db2.gz KORNDAHAFIPDNL-UHFFFAOYSA-N -1 1 291.340 1.218 20 0 CDADMM Cc1nc(C)c(CNCc2nc(-c3nn[n-]n3)cs2)o1 ZINC001592357348 1173867767 /nfs/dbraw/zinc/86/77/67/1173867767.db2.gz KORNDAHAFIPDNL-UHFFFAOYSA-N -1 1 291.340 1.218 20 0 CDADMM CC(C)n1cnc(S(=O)(=O)[N-]CC(C)(F)F)c1 ZINC000579134708 324117270 /nfs/dbraw/zinc/11/72/70/324117270.db2.gz VFBUWOSQSOYHCL-UHFFFAOYSA-N -1 1 267.301 1.398 20 0 CDADMM O=C([O-])c1cccc(C(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000579230132 324134481 /nfs/dbraw/zinc/13/44/81/324134481.db2.gz DBQWEJNOEWTGJI-LBPRGKRZSA-N -1 1 285.303 1.915 20 0 CDADMM Cc1nnc(CNc2cccnc2-c2nnn[n-]2)s1 ZINC001592443099 1173889639 /nfs/dbraw/zinc/88/96/39/1173889639.db2.gz TUBDQRJCNDVSIF-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM Cc1nnc(CNc2cccnc2-c2nn[n-]n2)s1 ZINC001592443099 1173889644 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O=C([O-])[C@@H]1CCN(Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000062134057 538150216 /nfs/dbraw/zinc/15/02/16/538150216.db2.gz IQMCYLZUJXBYFC-SECBINFHSA-N -1 1 283.711 1.975 20 0 CDADMM Cc1cc(C[C@@H](C)NC(=O)[C@H](C(=O)[O-])C(C)(C)C)n[nH]1 ZINC000663042619 545519957 /nfs/dbraw/zinc/51/99/57/545519957.db2.gz UXMXXUORRMGXIH-LDYMZIIASA-N -1 1 281.356 1.512 20 0 CDADMM COc1ccc2nc(-c3cncn3C)[n-]c(=O)c2c1 ZINC000119819560 538198030 /nfs/dbraw/zinc/19/80/30/538198030.db2.gz WPQSDTROQQGDFQ-UHFFFAOYSA-N -1 1 256.265 1.332 20 0 CDADMM Cc1ccccc1[C@H](C(=O)[O-])[N@H+](C)C[C@H](C)C(=O)[O-] ZINC001600566269 1174506248 /nfs/dbraw/zinc/50/62/48/1174506248.db2.gz VGPKMTFCCJDWRQ-CMPLNLGQSA-N -1 1 265.309 1.773 20 0 CDADMM Cc1nnc(SCC(=O)N2CCCCC[C@H]2C(=O)[O-])[nH]1 ZINC001600674647 1174558925 /nfs/dbraw/zinc/55/89/25/1174558925.db2.gz IIEVGTJYTYJDOA-VIFPVBQESA-N -1 1 298.368 1.061 20 0 CDADMM Cc1n[nH]c(SCC(=O)N2CCCCC[C@H]2C(=O)[O-])n1 ZINC001600674647 1174558931 /nfs/dbraw/zinc/55/89/31/1174558931.db2.gz IIEVGTJYTYJDOA-VIFPVBQESA-N -1 1 298.368 1.061 20 0 CDADMM Cc1nc(CN[C@H](CC(F)F)C(=O)[O-])cs1 ZINC001600701858 1174572582 /nfs/dbraw/zinc/57/25/82/1174572582.db2.gz BEXDQMOKRDUQCB-SSDOTTSWSA-N -1 1 250.270 1.650 20 0 CDADMM Cc1oc(C(=O)[O-])cc1CN1CC[C@@]2(O)C[C@H]2C1 ZINC001600830579 1174634275 /nfs/dbraw/zinc/63/42/75/1174634275.db2.gz ZYFJLYJQAYHTLI-GXFFZTMASA-N -1 1 251.282 1.243 20 0 CDADMM Cc1oc(C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001600845938 1174639373 /nfs/dbraw/zinc/63/93/73/1174639373.db2.gz SBFUJRJYGWKAIE-QPUJVOFHSA-N -1 1 281.308 1.829 20 0 CDADMM Cc1oc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1C(=O)[O-] ZINC001600846047 1174641582 /nfs/dbraw/zinc/64/15/82/1174641582.db2.gz URVVKZAXVQECER-GZMMTYOYSA-N -1 1 281.308 1.829 20 0 CDADMM C[C@@H]1C[C@@H](C)CN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC000103593540 1174682573 /nfs/dbraw/zinc/68/25/73/1174682573.db2.gz DOXMMAGQNORGMK-NXEZZACHSA-N -1 1 258.329 1.744 20 0 CDADMM O=C([O-])C12CC(C1)CN2CC(=O)Nc1ccc(Cl)nc1 ZINC001601305244 1174829342 /nfs/dbraw/zinc/82/93/42/1174829342.db2.gz BMLXMWWAZJWYND-UHFFFAOYSA-N -1 1 295.726 1.223 20 0 CDADMM O=C([O-])c1ccoc1CN1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000740249198 576450400 /nfs/dbraw/zinc/45/04/00/576450400.db2.gz PVHWRDNRRWJVMR-WPRPVWTQSA-N -1 1 293.241 1.865 20 0 CDADMM O=C(C[C@@H]1CCCCO1)OCCC[N-]C(=O)C(F)(F)F ZINC000774969143 575257333 /nfs/dbraw/zinc/25/73/33/575257333.db2.gz KELFEYLOOHUYGX-VIFPVBQESA-N -1 1 297.273 1.557 20 0 CDADMM O=C([N-]OCc1ccccc1)c1cccn2c(=O)[nH]nc12 ZINC000770468090 575453816 /nfs/dbraw/zinc/45/38/16/575453816.db2.gz DZKUPIODFTUSGS-UHFFFAOYSA-N -1 1 284.275 1.297 20 0 CDADMM C[C@H](C(=O)n1ncc(-c2nn[n-]n2)c1N)c1cccs1 ZINC000735572080 575486909 /nfs/dbraw/zinc/48/69/09/575486909.db2.gz QNCORENVJXUNRQ-LURJTMIESA-N -1 1 289.324 1.151 20 0 CDADMM CC(C)CC[C@@](C)(O)CNc1nccnc1-c1nnn[n-]1 ZINC000735796937 575511082 /nfs/dbraw/zinc/51/10/82/575511082.db2.gz KETVFCXNCBOGLD-CYBMUJFWSA-N -1 1 291.359 1.256 20 0 CDADMM CC(C)CC[C@@](C)(O)CNc1nccnc1-c1nn[n-]n1 ZINC000735796937 575511083 /nfs/dbraw/zinc/51/10/83/575511083.db2.gz KETVFCXNCBOGLD-CYBMUJFWSA-N -1 1 291.359 1.256 20 0 CDADMM O=C(CCc1cccc2c1OCO2)[N-]OCC(F)F ZINC000771473079 575582906 /nfs/dbraw/zinc/58/29/06/575582906.db2.gz ZHOFJHAHKKSDDP-UHFFFAOYSA-N -1 1 273.235 1.661 20 0 CDADMM CC[C@@H](C)OC(=O)c1sccc1-c1nn[n-]n1 ZINC000736323931 575623387 /nfs/dbraw/zinc/62/33/87/575623387.db2.gz FTPWDXAAXLUQEX-ZCFIWIBFSA-N -1 1 252.299 1.884 20 0 CDADMM C[C@H](CN(C)C(=O)c1cnc(-c2ccccc2)[nH]1)C(=O)[O-] ZINC000736569687 575692290 /nfs/dbraw/zinc/69/22/90/575692290.db2.gz YTOZUZACODVRBF-SNVBAGLBSA-N -1 1 287.319 1.869 20 0 CDADMM C[C@H](CN(CN1CCSC1=S)C1CC1)C(=O)[O-] ZINC000736585856 575698103 /nfs/dbraw/zinc/69/81/03/575698103.db2.gz XQEBSMXHGKRAHO-MRVPVSSYSA-N -1 1 274.411 1.463 20 0 CDADMM CC[C@H]1CN(Cc2ccoc2C(=O)[O-])CC[N@H+]1CCOC ZINC000736943222 575774624 /nfs/dbraw/zinc/77/46/24/575774624.db2.gz KCAAIHBUQFBOAZ-ZDUSSCGKSA-N -1 1 296.367 1.520 20 0 CDADMM COCCCCCNc1cccc(-c2nnn[n-]2)n1 ZINC000736977727 575781511 /nfs/dbraw/zinc/78/15/11/575781511.db2.gz BLTIKQUVFFCJEN-UHFFFAOYSA-N -1 1 262.317 1.490 20 0 CDADMM COCCCCCNc1cccc(-c2nn[n-]n2)n1 ZINC000736977727 575781514 /nfs/dbraw/zinc/78/15/14/575781514.db2.gz BLTIKQUVFFCJEN-UHFFFAOYSA-N -1 1 262.317 1.490 20 0 CDADMM CCCCO[C@H](C)C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773157127 575786255 /nfs/dbraw/zinc/78/62/55/575786255.db2.gz GHLFFPDRJSYNOF-ZJUUUORDSA-N -1 1 299.400 1.021 20 0 CDADMM Cc1cc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)c(C)o1 ZINC000773161043 575786829 /nfs/dbraw/zinc/78/68/29/575786829.db2.gz KLFXMUNXXYZWPG-SNVBAGLBSA-N -1 1 293.352 1.340 20 0 CDADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2C=CCCC2)co1 ZINC000756400535 575804235 /nfs/dbraw/zinc/80/42/35/575804235.db2.gz AUMQRXRGPQRFBT-JTQLQIEISA-N -1 1 285.321 1.453 20 0 CDADMM Cc1cc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)c(C)s1 ZINC000737235262 575903687 /nfs/dbraw/zinc/90/36/87/575903687.db2.gz VARVURHTCNYTRM-JTQLQIEISA-N -1 1 293.352 1.092 20 0 CDADMM CCc1cc(CNC(=O)c2cccc(C(=O)[O-])c2)n[nH]1 ZINC000737254157 575910856 /nfs/dbraw/zinc/91/08/56/575910856.db2.gz OWXIWHSCHUCIKE-UHFFFAOYSA-N -1 1 273.292 1.600 20 0 CDADMM Cc1cc([C@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)no1 ZINC000737265264 575923158 /nfs/dbraw/zinc/92/31/58/575923158.db2.gz QIOKQBAVYNIMQN-GFCCVEGCSA-N -1 1 297.322 1.900 20 0 CDADMM Cc1cc([C@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)no1 ZINC000737265264 575923160 /nfs/dbraw/zinc/92/31/60/575923160.db2.gz QIOKQBAVYNIMQN-GFCCVEGCSA-N -1 1 297.322 1.900 20 0 CDADMM Cc1cc(Nc2nccnc2-c2nnn[n-]2)ccc1N(C)C ZINC000737278149 575932797 /nfs/dbraw/zinc/93/27/97/575932797.db2.gz FRIYJCSAPNKLPN-UHFFFAOYSA-N -1 1 296.338 1.775 20 0 CDADMM Cc1cc(Nc2nccnc2-c2nn[n-]n2)ccc1N(C)C ZINC000737278149 575932800 /nfs/dbraw/zinc/93/28/00/575932800.db2.gz FRIYJCSAPNKLPN-UHFFFAOYSA-N -1 1 296.338 1.775 20 0 CDADMM CCc1nc(SCC(=O)c2cc(C(=O)[O-])co2)n[nH]1 ZINC000737287440 575934679 /nfs/dbraw/zinc/93/46/79/575934679.db2.gz ILDWMEXCEGJGDD-UHFFFAOYSA-N -1 1 281.293 1.633 20 0 CDADMM CCc1n[nH]c(SCC(=O)c2cc(C(=O)[O-])co2)n1 ZINC000737287440 575934681 /nfs/dbraw/zinc/93/46/81/575934681.db2.gz ILDWMEXCEGJGDD-UHFFFAOYSA-N -1 1 281.293 1.633 20 0 CDADMM Cc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737400252 575955643 /nfs/dbraw/zinc/95/56/43/575955643.db2.gz QZXNQWUDPFOAMU-UHFFFAOYSA-N -1 1 280.291 1.822 20 0 CDADMM Cc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737400252 575955646 /nfs/dbraw/zinc/95/56/46/575955646.db2.gz QZXNQWUDPFOAMU-UHFFFAOYSA-N -1 1 280.291 1.822 20 0 CDADMM Cc1cccc2c1CCN(c1nccnc1-c1nnn[n-]1)C2 ZINC000737409254 575957444 /nfs/dbraw/zinc/95/74/44/575957444.db2.gz OREHLEFSBNCHQU-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM Cc1cccc2c1CCN(c1nccnc1-c1nn[n-]n1)C2 ZINC000737409254 575957445 /nfs/dbraw/zinc/95/74/45/575957445.db2.gz OREHLEFSBNCHQU-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM CC(=O)N(c1nc(CNC(C)(C)C(=O)[O-])cs1)C1CC1 ZINC000737537387 575987316 /nfs/dbraw/zinc/98/73/16/575987316.db2.gz ISQCKAUEWNGYOR-UHFFFAOYSA-N -1 1 297.380 1.611 20 0 CDADMM Clc1ccc(CNc2nccnc2-c2nnn[n-]2)o1 ZINC000737573715 575993826 /nfs/dbraw/zinc/99/38/26/575993826.db2.gz AWDHDGTZZRTGCN-UHFFFAOYSA-N -1 1 277.675 1.515 20 0 CDADMM Clc1ccc(CNc2nccnc2-c2nn[n-]n2)o1 ZINC000737573715 575993828 /nfs/dbraw/zinc/99/38/28/575993828.db2.gz AWDHDGTZZRTGCN-UHFFFAOYSA-N -1 1 277.675 1.515 20 0 CDADMM Clc1ccc(NC[C@H]2CCCCO2)nc1-c1nnn[n-]1 ZINC000737576186 575995353 /nfs/dbraw/zinc/99/53/53/575995353.db2.gz XPBZJFIXUYTSFP-MRVPVSSYSA-N -1 1 294.746 1.896 20 0 CDADMM Clc1ccc(NC[C@H]2CCCCO2)nc1-c1nn[n-]n1 ZINC000737576186 575995354 /nfs/dbraw/zinc/99/53/54/575995354.db2.gz XPBZJFIXUYTSFP-MRVPVSSYSA-N -1 1 294.746 1.896 20 0 CDADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@H](CO)C1 ZINC000765242505 576001759 /nfs/dbraw/zinc/00/17/59/576001759.db2.gz QDLIQEBBUIZQMW-MRVPVSSYSA-N -1 1 255.701 1.500 20 0 CDADMM CN(C(=O)c1c([O-])cccc1Cl)[C@@H]1CCN(C)C1=O ZINC000738548227 576087302 /nfs/dbraw/zinc/08/73/02/576087302.db2.gz KAYQMUZTJYXIIL-SECBINFHSA-N -1 1 282.727 1.348 20 0 CDADMM C[C@@H]1CC[C@H](CCC(=O)[N-]OCC(F)(F)F)O1 ZINC000766762761 576132373 /nfs/dbraw/zinc/13/23/73/576132373.db2.gz PSAXJKFWFSZVBY-HTQZYQBOSA-N -1 1 255.236 1.944 20 0 CDADMM O=C(Cc1c[nH]c2ncccc12)[N-]OCC(F)(F)F ZINC000766761255 576132573 /nfs/dbraw/zinc/13/25/73/576132573.db2.gz DQXOMBWTELEAAX-UHFFFAOYSA-N -1 1 273.214 1.716 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CCC2(CC1)OCCO2 ZINC000767297875 576177084 /nfs/dbraw/zinc/17/70/84/576177084.db2.gz CURCULSWFZWOCM-UHFFFAOYSA-N -1 1 281.283 1.510 20 0 CDADMM CC[C@H](SC)C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000767681569 576219506 /nfs/dbraw/zinc/21/95/06/576219506.db2.gz COGNXIKDEGBHTL-NSHDSACASA-N -1 1 295.360 1.628 20 0 CDADMM O=C([O-])CCCNC(=O)[C@@H]1CCCN1Cc1ccccn1 ZINC000739674373 576276318 /nfs/dbraw/zinc/27/63/18/576276318.db2.gz IFQRSDVXAVNMBC-ZDUSSCGKSA-N -1 1 291.351 1.027 20 0 CDADMM CC1(CCNC(=O)c2ccc([O-])c(F)c2)OCCO1 ZINC000768446921 576283994 /nfs/dbraw/zinc/28/39/94/576283994.db2.gz BTPAZLVKUOFJGO-UHFFFAOYSA-N -1 1 269.272 1.414 20 0 CDADMM CCn1cnnc1SCCC[N-]C(=O)C(F)(F)F ZINC000769299087 576343871 /nfs/dbraw/zinc/34/38/71/576343871.db2.gz DPSDWMGOYWBUQP-UHFFFAOYSA-N -1 1 282.291 1.459 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)CC1(O)CCC1 ZINC000760075493 576456040 /nfs/dbraw/zinc/45/60/40/576456040.db2.gz GPVZTDSIFHPBAU-UHFFFAOYSA-N -1 1 293.367 1.601 20 0 CDADMM O=C(c1cc(Cl)cs1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000760306660 576474500 /nfs/dbraw/zinc/47/45/00/576474500.db2.gz HQWHTPWOQOPNCV-ZETCQYMHSA-N -1 1 299.743 1.128 20 0 CDADMM CC(=O)O[C@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000763235214 576724217 /nfs/dbraw/zinc/72/42/17/576724217.db2.gz XNJLNQCGYWULFR-NSHDSACASA-N -1 1 281.283 1.699 20 0 CDADMM Cc1cc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)c(C)[nH]1 ZINC000747474739 576872024 /nfs/dbraw/zinc/87/20/24/576872024.db2.gz YVXPJZWMRRXHDV-CYBMUJFWSA-N -1 1 296.334 1.664 20 0 CDADMM O=C(COC(=O)[C@H]1CCCS1)[N-]C(=O)c1ccccc1 ZINC000748479297 576914493 /nfs/dbraw/zinc/91/44/93/576914493.db2.gz MXBZGEOQKGMBNW-LLVKDONJSA-N -1 1 293.344 1.382 20 0 CDADMM O=C([N-]Cc1ncccn1)C(F)(F)c1nccs1 ZINC000756881983 577012422 /nfs/dbraw/zinc/01/24/22/577012422.db2.gz CIJFFGWPBCYFPQ-UHFFFAOYSA-N -1 1 270.264 1.341 20 0 CDADMM C[C@H](C[S@](C)=O)NC(=O)c1c([O-])cccc1Cl ZINC000753155959 577149858 /nfs/dbraw/zinc/14/98/58/577149858.db2.gz SRJMQOZMQANMGL-GJEGPGMTSA-N -1 1 275.757 1.542 20 0 CDADMM O=C([O-])Cc1c[nH]n(C[C@H]2CCCC2(F)F)c1=O ZINC001601939447 1175076146 /nfs/dbraw/zinc/07/61/46/1175076146.db2.gz BWLDGSYWURRYAT-HTQZYQBOSA-N -1 1 260.240 1.341 20 0 CDADMM O=C([O-])C[C@H]1CCCN1Cn1ccc(-c2nccs2)n1 ZINC001601953655 1175084921 /nfs/dbraw/zinc/08/49/21/1175084921.db2.gz JCYBCUSWXSBUBY-SNVBAGLBSA-N -1 1 292.364 1.903 20 0 CDADMM O=C([O-])C[C@H]1CCCN1S(=O)(=O)c1ccccc1O ZINC001601954050 1175085839 /nfs/dbraw/zinc/08/58/39/1175085839.db2.gz OZKGSLJUDKOVEG-SECBINFHSA-N -1 1 285.321 1.020 20 0 CDADMM O=C([O-])CCCCCCNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC001601982862 1175096996 /nfs/dbraw/zinc/09/69/96/1175096996.db2.gz DTHMIIRQNJJBGZ-JTQLQIEISA-N -1 1 294.355 1.376 20 0 CDADMM O=C([O-])CCN(Cc1ccc(Cl)nn1)C[C@@H]1CCCO1 ZINC001602006624 1175108958 /nfs/dbraw/zinc/10/89/58/1175108958.db2.gz RNCAJAJTSKAHLX-NSHDSACASA-N -1 1 299.758 1.586 20 0 CDADMM Cc1c(NC(=O)[C@H](C)N(C)C)cccc1C(=O)[O-] ZINC000832856426 601448119 /nfs/dbraw/zinc/44/81/19/601448119.db2.gz RGQMPRJEFOKKIG-VIFPVBQESA-N -1 1 250.298 1.582 20 0 CDADMM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@H]1c1nnc[nH]1 ZINC001602173174 1175152058 /nfs/dbraw/zinc/15/20/58/1175152058.db2.gz PFEUOFSUZRYGTP-AXFHLTTASA-N -1 1 292.339 1.359 20 0 CDADMM COC(=O)c1sccc1CN(C)C[C@H](C)C(=O)[O-] ZINC000831479569 601826922 /nfs/dbraw/zinc/82/69/22/601826922.db2.gz QROAPIUCPAJSFF-QMMMGPOBSA-N -1 1 271.338 1.687 20 0 CDADMM CC[C@H](C)NC(=O)[C@H](C)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091131923 601921686 /nfs/dbraw/zinc/92/16/86/601921686.db2.gz BUUUHEKMTYHAQP-DCAQKATOSA-N -1 1 288.413 1.182 20 0 CDADMM C[C@H](C(=O)[O-])N(C)C(=O)c1sccc1CN(C)C ZINC000817768524 596969231 /nfs/dbraw/zinc/96/92/31/596969231.db2.gz AGTRZOYTANLGQH-MRVPVSSYSA-N -1 1 270.354 1.355 20 0 CDADMM CN(CCC(=O)[O-])CC(=O)Nc1ccnn1C1CCCC1 ZINC000818462923 596998720 /nfs/dbraw/zinc/99/87/20/596998720.db2.gz BINQZVCOANEMNR-UHFFFAOYSA-N -1 1 294.355 1.343 20 0 CDADMM CC[C@@H]1CC(=O)N(CN2CCC[C@H](CC(=O)[O-])C2)C1 ZINC000818149210 597044751 /nfs/dbraw/zinc/04/47/51/597044751.db2.gz QRQUPPLYFHTOOC-VXGBXAGGSA-N -1 1 268.357 1.389 20 0 CDADMM Cc1c([C@H](C)NCCC(=O)[O-])nnn1-c1ccc(F)cc1 ZINC000818772734 597240321 /nfs/dbraw/zinc/24/03/21/597240321.db2.gz ONUBFBJEOROREY-VIFPVBQESA-N -1 1 292.314 1.840 20 0 CDADMM Cc1cc(CN2CCC[C@H](CC(=O)[O-])C2)nn1C ZINC000257680628 597255620 /nfs/dbraw/zinc/25/56/20/597255620.db2.gz POBSONXSSPICDJ-LLVKDONJSA-N -1 1 251.330 1.415 20 0 CDADMM O=C([O-])[C@@H]1CCN(Cc2nc(-c3ccccc3)no2)C1 ZINC000062134163 597527733 /nfs/dbraw/zinc/52/77/33/597527733.db2.gz DNKIZYUWOMEJEH-LLVKDONJSA-N -1 1 273.292 1.643 20 0 CDADMM CCCCN1C(=O)N=NC1SCCCC(=O)[O-] ZINC000820317257 597750683 /nfs/dbraw/zinc/75/06/83/597750683.db2.gz TXGAZYZTFIKJLC-UHFFFAOYSA-N -1 1 259.331 1.741 20 0 CDADMM CC(C)[C@@H](NCC(=O)N[C@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000222741539 598189032 /nfs/dbraw/zinc/18/90/32/598189032.db2.gz GKGSOXUPPJLRFQ-GMXVVIOVSA-N -1 1 270.373 1.380 20 0 CDADMM Cc1ccccc1Cn1ccc(C)c(-c2nn[n-]n2)c1=O ZINC000095344406 607347080 /nfs/dbraw/zinc/34/70/80/607347080.db2.gz UAKXUWSVGCCWLL-UHFFFAOYSA-N -1 1 281.319 1.694 20 0 CDADMM CN(Cc1ccccc1)c1cnc(-c2nnn[n-]2)cn1 ZINC000095294781 598383884 /nfs/dbraw/zinc/38/38/84/598383884.db2.gz UGVUKHASGMBDIW-UHFFFAOYSA-N -1 1 267.296 1.293 20 0 CDADMM CN(Cc1ccccc1)c1cnc(-c2nn[n-]n2)cn1 ZINC000095294781 598383885 /nfs/dbraw/zinc/38/38/85/598383885.db2.gz UGVUKHASGMBDIW-UHFFFAOYSA-N -1 1 267.296 1.293 20 0 CDADMM Cc1noc(C)c1[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826339273 608418332 /nfs/dbraw/zinc/41/83/32/608418332.db2.gz YFGCZRLPOFVUMB-LURJTMIESA-N -1 1 286.299 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C(=C\c1ccccc1)\Cn1ccnc1-c1nnn[n-]1 ZINC000819710163 606654802 /nfs/dbraw/zinc/65/48/02/606654802.db2.gz YCWNHOUGQUZYGR-DAXSKMNVSA-N -1 1 252.281 1.777 20 0 CDADMM C(=C\c1ccccc1)\Cn1ccnc1-c1nn[n-]n1 ZINC000819710163 606654803 /nfs/dbraw/zinc/65/48/03/606654803.db2.gz YCWNHOUGQUZYGR-DAXSKMNVSA-N -1 1 252.281 1.777 20 0 CDADMM Fc1cc2cccnc2c(Cn2ccnc2-c2nnn[n-]2)c1 ZINC000822748021 606655349 /nfs/dbraw/zinc/65/53/49/606655349.db2.gz CYKRKKIKIGTKIN-UHFFFAOYSA-N -1 1 295.281 1.799 20 0 CDADMM Fc1cc2cccnc2c(Cn2ccnc2-c2nn[n-]n2)c1 ZINC000822748021 606655350 /nfs/dbraw/zinc/65/53/50/606655350.db2.gz CYKRKKIKIGTKIN-UHFFFAOYSA-N -1 1 295.281 1.799 20 0 CDADMM CC[C@@H](CCO)CNc1cccc(-c2nnn[n-]2)n1 ZINC000820901614 606723944 /nfs/dbraw/zinc/72/39/44/606723944.db2.gz COCFIPWKHVLYBL-VIFPVBQESA-N -1 1 262.317 1.082 20 0 CDADMM CC[C@@H](CCO)CNc1cccc(-c2nn[n-]n2)n1 ZINC000820901614 606723945 /nfs/dbraw/zinc/72/39/45/606723945.db2.gz COCFIPWKHVLYBL-VIFPVBQESA-N -1 1 262.317 1.082 20 0 CDADMM CC(C)CC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000820069220 606724466 /nfs/dbraw/zinc/72/44/66/606724466.db2.gz XTIUOAKPBKAMSU-UHFFFAOYSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)CC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000820069220 606724467 /nfs/dbraw/zinc/72/44/67/606724467.db2.gz XTIUOAKPBKAMSU-UHFFFAOYSA-N -1 1 287.371 1.919 20 0 CDADMM c1cc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)nc(-c2nnn[n-]2)c1 ZINC000823756960 606730194 /nfs/dbraw/zinc/73/01/94/606730194.db2.gz HYHUETWPNDHQGF-UMNHJUIQSA-N -1 1 286.339 1.631 20 0 CDADMM c1cc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)nc(-c2nn[n-]n2)c1 ZINC000823756960 606730195 /nfs/dbraw/zinc/73/01/95/606730195.db2.gz HYHUETWPNDHQGF-UMNHJUIQSA-N -1 1 286.339 1.631 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1=CCCC1 ZINC000823431272 606763662 /nfs/dbraw/zinc/76/36/62/606763662.db2.gz OJUNOCUHTFZYFG-UHFFFAOYSA-N -1 1 271.280 1.415 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1=CCCC1 ZINC000823431272 606763663 /nfs/dbraw/zinc/76/36/63/606763663.db2.gz OJUNOCUHTFZYFG-UHFFFAOYSA-N -1 1 271.280 1.415 20 0 CDADMM COC(C)(C)CN(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821672600 606950929 /nfs/dbraw/zinc/95/09/29/606950929.db2.gz QSXMVXVWRJOHRA-UHFFFAOYSA-N -1 1 296.762 1.776 20 0 CDADMM COC(C)(C)CN(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821672600 606950930 /nfs/dbraw/zinc/95/09/30/606950930.db2.gz QSXMVXVWRJOHRA-UHFFFAOYSA-N -1 1 296.762 1.776 20 0 CDADMM CC(C)[C@H](O)C(C)(C)CNc1cccc(-c2nnn[n-]2)n1 ZINC000824198383 607819717 /nfs/dbraw/zinc/81/97/17/607819717.db2.gz BTIDXELJYAROON-LBPRGKRZSA-N -1 1 290.371 1.717 20 0 CDADMM CC(C)[C@H](O)C(C)(C)CNc1cccc(-c2nn[n-]n2)n1 ZINC000824198383 607819718 /nfs/dbraw/zinc/81/97/18/607819718.db2.gz BTIDXELJYAROON-LBPRGKRZSA-N -1 1 290.371 1.717 20 0 CDADMM Cc1noc(COc2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826340029 607864443 /nfs/dbraw/zinc/86/44/43/607864443.db2.gz DZRVPRQAXYZEMJ-UHFFFAOYSA-N -1 1 276.231 1.276 20 0 CDADMM Cc1noc(COc2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826340029 607864444 /nfs/dbraw/zinc/86/44/44/607864444.db2.gz DZRVPRQAXYZEMJ-UHFFFAOYSA-N -1 1 276.231 1.276 20 0 CDADMM CN(c1ccc(-c2nnn[n-]2)nn1)C1CCCCC1 ZINC000826004118 607987284 /nfs/dbraw/zinc/98/72/84/607987284.db2.gz JJGLNYXNNBIUTL-UHFFFAOYSA-N -1 1 259.317 1.426 20 0 CDADMM CN(c1ccc(-c2nn[n-]n2)nn1)C1CCCCC1 ZINC000826004118 607987285 /nfs/dbraw/zinc/98/72/85/607987285.db2.gz JJGLNYXNNBIUTL-UHFFFAOYSA-N -1 1 259.317 1.426 20 0 CDADMM CCn1cc(NCc2ccc(-c3nnn[n-]3)o2)cn1 ZINC000825799859 608055520 /nfs/dbraw/zinc/05/55/20/608055520.db2.gz UPUWUEFZWWJKDG-UHFFFAOYSA-N -1 1 259.273 1.288 20 0 CDADMM CCn1cc(NCc2ccc(-c3nn[n-]n3)o2)cn1 ZINC000825799859 608055521 /nfs/dbraw/zinc/05/55/21/608055521.db2.gz UPUWUEFZWWJKDG-UHFFFAOYSA-N -1 1 259.273 1.288 20 0 CDADMM CCC(CC)[C@H](C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000825096660 608078142 /nfs/dbraw/zinc/07/81/42/608078142.db2.gz PGVVGJNANSMXOU-ZETCQYMHSA-N -1 1 277.332 1.358 20 0 CDADMM CCCC[C@@H](COC)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825261311 608421429 /nfs/dbraw/zinc/42/14/29/608421429.db2.gz WOGJFQIVQKIQKN-VIFPVBQESA-N -1 1 277.332 1.274 20 0 CDADMM CCCC[C@@H](COC)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825261311 608421430 /nfs/dbraw/zinc/42/14/30/608421430.db2.gz WOGJFQIVQKIQKN-VIFPVBQESA-N -1 1 277.332 1.274 20 0 CDADMM c1cc(N2CCC3(CCCC3)CC2)nnc1-c1nnn[n-]1 ZINC000826516301 608422281 /nfs/dbraw/zinc/42/22/81/608422281.db2.gz FWRJDTLLXZCQEM-UHFFFAOYSA-N -1 1 285.355 1.817 20 0 CDADMM c1cc(N2CCC3(CCCC3)CC2)nnc1-c1nn[n-]n1 ZINC000826516301 608422283 /nfs/dbraw/zinc/42/22/83/608422283.db2.gz FWRJDTLLXZCQEM-UHFFFAOYSA-N -1 1 285.355 1.817 20 0 CDADMM O[C@H](CCNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC000826503116 608426454 /nfs/dbraw/zinc/42/64/54/608426454.db2.gz QXGYBGHQSYYYEX-GFCCVEGCSA-N -1 1 297.322 1.192 20 0 CDADMM O[C@H](CCNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC000826503116 608426455 /nfs/dbraw/zinc/42/64/55/608426455.db2.gz QXGYBGHQSYYYEX-GFCCVEGCSA-N -1 1 297.322 1.192 20 0 CDADMM CN(Cc1cccc(O)c1)c1cccc(-c2nnn[n-]2)n1 ZINC000825980695 608552789 /nfs/dbraw/zinc/55/27/89/608552789.db2.gz GZVPJJZJWJGBCV-UHFFFAOYSA-N -1 1 282.307 1.604 20 0 CDADMM CN(Cc1cccc(O)c1)c1cccc(-c2nn[n-]n2)n1 ZINC000825980695 608552790 /nfs/dbraw/zinc/55/27/90/608552790.db2.gz GZVPJJZJWJGBCV-UHFFFAOYSA-N -1 1 282.307 1.604 20 0 CDADMM Fc1ccc(F)c(Cn2ccnc2-c2nnn[n-]2)c1 ZINC000826374898 608888450 /nfs/dbraw/zinc/88/84/50/608888450.db2.gz QSZJQYAQJCCEIU-UHFFFAOYSA-N -1 1 262.223 1.390 20 0 CDADMM Fc1ccc(F)c(Cn2ccnc2-c2nn[n-]n2)c1 ZINC000826374898 608888451 /nfs/dbraw/zinc/88/84/51/608888451.db2.gz QSZJQYAQJCCEIU-UHFFFAOYSA-N -1 1 262.223 1.390 20 0 CDADMM ClC1(Cl)C[C@H]1Cn1ccnc1-c1nnn[n-]1 ZINC000826349940 608894892 /nfs/dbraw/zinc/89/48/92/608894892.db2.gz AIWOABMNAUVDPP-YFKPBYRVSA-N -1 1 259.100 1.257 20 0 CDADMM ClC1(Cl)C[C@H]1Cn1ccnc1-c1nn[n-]n1 ZINC000826349940 608894893 /nfs/dbraw/zinc/89/48/93/608894893.db2.gz AIWOABMNAUVDPP-YFKPBYRVSA-N -1 1 259.100 1.257 20 0 CDADMM C[C@@H]1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC000824914967 609389598 /nfs/dbraw/zinc/38/95/98/609389598.db2.gz ATSOQORMMJZXNM-QMTHXVAHSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@@H]1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC000824914967 609389602 /nfs/dbraw/zinc/38/96/02/609389602.db2.gz ATSOQORMMJZXNM-QMTHXVAHSA-N -1 1 285.355 1.673 20 0 CDADMM c1cc(NCC[C@@H]2CCCCO2)nc(-c2nnn[n-]2)c1 ZINC000826517060 609582462 /nfs/dbraw/zinc/58/24/62/609582462.db2.gz OFHIMUWNVSQKJB-JTQLQIEISA-N -1 1 274.328 1.633 20 0 CDADMM c1cc(NCC[C@@H]2CCCCO2)nc(-c2nn[n-]n2)c1 ZINC000826517060 609582463 /nfs/dbraw/zinc/58/24/63/609582463.db2.gz OFHIMUWNVSQKJB-JTQLQIEISA-N -1 1 274.328 1.633 20 0 CDADMM CC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000973196986 613892054 /nfs/dbraw/zinc/89/20/54/613892054.db2.gz JNTGNBAILWCMKB-MGCOHNPYSA-N -1 1 291.351 1.210 20 0 CDADMM CO[C@H](C)CCC(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000782433290 617456906 /nfs/dbraw/zinc/45/69/06/617456906.db2.gz VSEJYMQOWXQYIL-MRVPVSSYSA-N -1 1 285.262 1.413 20 0 CDADMM COCc1nc(N2CC=C(COC)CC2)cc(=O)[n-]1 ZINC000893250818 617492121 /nfs/dbraw/zinc/49/21/21/617492121.db2.gz BHTNVTLGIDHBQY-UHFFFAOYSA-N -1 1 265.313 1.112 20 0 CDADMM CCCC(=O)N1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000943824605 614763722 /nfs/dbraw/zinc/76/37/22/614763722.db2.gz KGUDAQKFZXEHPW-LLVKDONJSA-N -1 1 291.351 1.308 20 0 CDADMM CCC[C@H](OC)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891616171 617504957 /nfs/dbraw/zinc/50/49/57/617504957.db2.gz ZBKWTOKRLVQOQY-NSHDSACASA-N -1 1 279.340 1.815 20 0 CDADMM CC(C)(C)C(=O)C(=O)Nc1nc2c(c(=O)[nH]1)CCCC2 ZINC000891621172 617508744 /nfs/dbraw/zinc/50/87/44/617508744.db2.gz DYDQBQVJXQHRMV-UHFFFAOYSA-N -1 1 277.324 1.615 20 0 CDADMM COCc1nc(N[C@H]2CSC[C@@H]2C)cc(=O)[n-]1 ZINC000893824753 618075792 /nfs/dbraw/zinc/07/57/92/618075792.db2.gz AKFCFBKBGJFOKU-YUMQZZPRSA-N -1 1 255.343 1.492 20 0 CDADMM COCc1nc(NC2CCC3(CC2)OCCO3)cc(=O)[n-]1 ZINC000891884045 617716168 /nfs/dbraw/zinc/71/61/68/617716168.db2.gz SNMXPQIKENHFII-UHFFFAOYSA-N -1 1 295.339 1.426 20 0 CDADMM CNC(=S)[N-]c1ccccc1SCC(N)=O ZINC000007370802 620759254 /nfs/dbraw/zinc/75/92/54/620759254.db2.gz PXBQSBMFGRXDQI-UHFFFAOYSA-N -1 1 255.368 1.180 20 0 CDADMM CC[C@@H](OC1CCCCC1)C(=O)N(C)c1nn[n-]n1 ZINC000892954048 617974604 /nfs/dbraw/zinc/97/46/04/617974604.db2.gz AXWRHWAGTXKILB-SNVBAGLBSA-N -1 1 267.333 1.290 20 0 CDADMM COCc1nc(NC[C@@H]2CCSC2)cc(=O)[n-]1 ZINC000893572932 618144453 /nfs/dbraw/zinc/14/44/53/618144453.db2.gz LGQHFFMANWOOMT-QMMMGPOBSA-N -1 1 255.343 1.494 20 0 CDADMM COCc1nc(NC[C@H]2COc3ccccc32)cc(=O)[n-]1 ZINC000893896815 618167417 /nfs/dbraw/zinc/16/74/17/618167417.db2.gz ZQMWYJDODHWJLC-JTQLQIEISA-N -1 1 287.319 1.917 20 0 CDADMM COCc1nc(NCC[C@@H]2CCCCO2)cc(=O)[n-]1 ZINC000893114377 618191139 /nfs/dbraw/zinc/19/11/39/618191139.db2.gz UWSLWHQSVWPIEV-JTQLQIEISA-N -1 1 267.329 1.700 20 0 CDADMM COCc1nc(NC[C@@H](C)CCCO)cc(=O)[n-]1 ZINC000894030304 618272641 /nfs/dbraw/zinc/27/26/41/618272641.db2.gz QDCOHZPLUYWINJ-VIFPVBQESA-N -1 1 255.318 1.149 20 0 CDADMM CC(C)CCC[C@H](NC(=O)[C@H](C)Cc1cnc[nH]1)C(=O)[O-] ZINC000910573997 618276484 /nfs/dbraw/zinc/27/64/84/618276484.db2.gz BLQFPSRIFVAQDR-YPMHNXCESA-N -1 1 295.383 1.984 20 0 CDADMM CCc1ccc(CN[C@@H](C(=O)[O-])[C@H]2CCCOC2)o1 ZINC000901829989 618277506 /nfs/dbraw/zinc/27/75/06/618277506.db2.gz AIRMWGSIISOKIZ-GXFFZTMASA-N -1 1 267.325 1.811 20 0 CDADMM O=C(NCc1ncc2c(n1)CCC2)c1c([O-])cccc1F ZINC000909676390 620801217 /nfs/dbraw/zinc/80/12/17/620801217.db2.gz KHVJUMZLGZDEPQ-UHFFFAOYSA-N -1 1 287.294 1.740 20 0 CDADMM O=C([O-])C[C@H]1CSCCN1Cc1n[nH]c2ccccc21 ZINC000901983925 618417452 /nfs/dbraw/zinc/41/74/52/618417452.db2.gz XAQWASCYNBGHCK-JTQLQIEISA-N -1 1 291.376 1.955 20 0 CDADMM O=C([O-])C[C@@H]1CSCCN1Cc1cnn2ccccc12 ZINC000901983251 618459746 /nfs/dbraw/zinc/45/97/46/618459746.db2.gz OSPDZXRFNJBLOJ-GFCCVEGCSA-N -1 1 291.376 1.726 20 0 CDADMM CO[C@H]1CCN(Cc2ccsc2)[C@H](C(=O)[O-])C1 ZINC000902030296 618476051 /nfs/dbraw/zinc/47/60/51/618476051.db2.gz BACGZRVRFIDRAP-QWRGUYRKSA-N -1 1 255.339 1.812 20 0 CDADMM C[C@@H](NCc1cn(-c2ccc(F)c(Cl)c2)nn1)C(=O)[O-] ZINC000820148139 618513710 /nfs/dbraw/zinc/51/37/10/618513710.db2.gz LLTVKBJNTZJPBJ-SSDOTTSWSA-N -1 1 298.705 1.623 20 0 CDADMM C[C@@H](CO)CCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000824441724 618570765 /nfs/dbraw/zinc/57/07/65/618570765.db2.gz RLOGMFIXMFAIGG-MRVPVSSYSA-N -1 1 296.762 1.736 20 0 CDADMM C[C@@H](CO)CCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000824441724 618570770 /nfs/dbraw/zinc/57/07/70/618570770.db2.gz RLOGMFIXMFAIGG-MRVPVSSYSA-N -1 1 296.762 1.736 20 0 CDADMM CC(C)OCCNCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902100687 618581311 /nfs/dbraw/zinc/58/13/11/618581311.db2.gz GWOKSHJKUIRJST-WAYWQWQTSA-N -1 1 253.298 1.892 20 0 CDADMM COC(=O)C[C@@H](NC(=O)c1cncc([O-])c1)C(C)(C)C ZINC000889171648 619176764 /nfs/dbraw/zinc/17/67/64/619176764.db2.gz AKQINLXHPRMFKV-LLVKDONJSA-N -1 1 280.324 1.495 20 0 CDADMM CCCCCC[C@](C)(NC(=O)[C@H](C)N(C)C)C(=O)[O-] ZINC000909434868 619260289 /nfs/dbraw/zinc/26/02/89/619260289.db2.gz YDUCCGBGMKSHAC-FZMZJTMJSA-N -1 1 272.389 1.866 20 0 CDADMM O=C([O-])[C@@H](CC1CC1)NC(=O)c1cccc2nc[nH]c21 ZINC000909465603 619342411 /nfs/dbraw/zinc/34/24/11/619342411.db2.gz AIVFSNASAHDCMQ-LLVKDONJSA-N -1 1 273.292 1.546 20 0 CDADMM CC[N@@H+](CC(=O)NCC1(C(=O)[O-])CCCCC1)C1CC1 ZINC000909526923 619803458 /nfs/dbraw/zinc/80/34/58/619803458.db2.gz WCCMUMJFXYXXOO-UHFFFAOYSA-N -1 1 282.384 1.622 20 0 CDADMM CCN(CC(=O)NCC1(C(=O)[O-])CCCCC1)C1CC1 ZINC000909526923 619803459 /nfs/dbraw/zinc/80/34/59/619803459.db2.gz WCCMUMJFXYXXOO-UHFFFAOYSA-N -1 1 282.384 1.622 20 0 CDADMM O=c1nc(N[C@@H](C2CC2)[C@H]2CCCOC2)nc2[nH][n-]cc1-2 ZINC000896436049 620097560 /nfs/dbraw/zinc/09/75/60/620097560.db2.gz HHGHVWVAAUPENC-ONGXEEELSA-N -1 1 289.339 1.049 20 0 CDADMM O=C(N[C@H](CO)C1CC1)c1ccc2ccc(O)cc2c1[O-] ZINC000897323926 620500171 /nfs/dbraw/zinc/50/01/71/620500171.db2.gz AOTKYIVHWVOKHV-CQSZACIVSA-N -1 1 287.315 1.752 20 0 CDADMM CCC(CC)(NC(=O)CN(C)[C@H]1CCSC1)C(=O)[O-] ZINC000909613650 620510086 /nfs/dbraw/zinc/51/00/86/620510086.db2.gz HFEMSLANCKFPFA-JTQLQIEISA-N -1 1 288.413 1.183 20 0 CDADMM C[C@@H](NC(=O)c1ccc2cncn2c1)[C@@H](C)C(=O)[O-] ZINC000909652785 620566536 /nfs/dbraw/zinc/56/65/36/620566536.db2.gz RMBIIGGHJGNDFQ-RKDXNWHRSA-N -1 1 261.281 1.173 20 0 CDADMM CCCNC(=O)CCC(=O)[N-]OCc1cccc(C)n1 ZINC000898936560 621976363 /nfs/dbraw/zinc/97/63/63/621976363.db2.gz WZVNXIDUZBCAEG-UHFFFAOYSA-N -1 1 279.340 1.244 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CC(OC(F)F)C1 ZINC000673136598 622617570 /nfs/dbraw/zinc/61/75/70/622617570.db2.gz KSHJZJFFVKTYLP-UHFFFAOYSA-N -1 1 261.199 1.595 20 0 CDADMM Cc1cc(N2CCOC[C@H]2C(=O)[O-])c2cc(F)ccc2n1 ZINC000900942708 623699056 /nfs/dbraw/zinc/69/90/56/623699056.db2.gz BZRJXQJUFRNMTO-AWEZNQCLSA-N -1 1 290.294 1.972 20 0 CDADMM CC(C)[C@@H](NC(=O)c1cccc2nc[nH]c21)C(=O)[O-] ZINC000901430195 624242290 /nfs/dbraw/zinc/24/22/90/624242290.db2.gz VLCKLKGKHHBROC-SNVBAGLBSA-N -1 1 261.281 1.402 20 0 CDADMM COC[C@@H](NCc1cn2cc(Cl)ccc2n1)C(=O)[O-] ZINC000901477954 624267120 /nfs/dbraw/zinc/26/71/20/624267120.db2.gz LYZFUPYCRLTLBH-SNVBAGLBSA-N -1 1 283.715 1.177 20 0 CDADMM CC(C)C[C@H](NC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C)C(=O)[O-] ZINC000901456075 624274026 /nfs/dbraw/zinc/27/40/26/624274026.db2.gz BUOTUXUJIPADGS-JIMOISOXSA-N -1 1 293.367 1.691 20 0 CDADMM CC(C)[C@H](NC(=O)c1cc2[nH]cnc2cc1F)C(=O)[O-] ZINC000901456778 624274477 /nfs/dbraw/zinc/27/44/77/624274477.db2.gz BAJZGYJRWOZVOP-NSHDSACASA-N -1 1 279.271 1.541 20 0 CDADMM CCCN(CC(=O)[O-])C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000901489958 624292308 /nfs/dbraw/zinc/29/23/08/624292308.db2.gz LFRXKEOEKPRYFX-KOLCDFICSA-N -1 1 279.340 1.399 20 0 CDADMM CCOc1cc(F)cc(CN2CC[C@@](OC)(C(=O)[O-])C2)c1 ZINC000901541477 624326897 /nfs/dbraw/zinc/32/68/97/624326897.db2.gz ISEDYJFIYZIVTB-HNNXBMFYSA-N -1 1 297.326 1.900 20 0 CDADMM COc1cc(Cl)c(CN(C)CC(=O)[O-])cc1OC ZINC000901574336 624357197 /nfs/dbraw/zinc/35/71/97/624357197.db2.gz DJIDREOBYJCYFV-UHFFFAOYSA-N -1 1 273.716 1.874 20 0 CDADMM CC[C@H](NC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C)C(=O)[O-] ZINC000901704991 624403761 /nfs/dbraw/zinc/40/37/61/624403761.db2.gz 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ZINC001605688215 1163643070 /nfs/dbraw/zinc/64/30/70/1163643070.db2.gz LQSRNNDLMOYOCY-UHFFFAOYSA-N -1 1 290.371 1.821 20 0 CDADMM Cc1cc(N(C)CCOC(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001605688215 1163643077 /nfs/dbraw/zinc/64/30/77/1163643077.db2.gz LQSRNNDLMOYOCY-UHFFFAOYSA-N -1 1 290.371 1.821 20 0 CDADMM Cc1cc[nH]c1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001605759422 1163662637 /nfs/dbraw/zinc/66/26/37/1163662637.db2.gz FVCMZBVCNUURRM-UHFFFAOYSA-N -1 1 298.310 1.356 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1C[C@@H](C)[C@@](C)(CO)C1 ZINC001605802653 1163674622 /nfs/dbraw/zinc/67/46/22/1163674622.db2.gz ANWIWEWNMBIYLW-QMTHXVAHSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCO[C@@H](C)CC1 ZINC001605802998 1163676484 /nfs/dbraw/zinc/67/64/84/1163676484.db2.gz SWOQZESPZAPFNL-JTQLQIEISA-N -1 1 274.328 1.185 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCO[C@@H](C)CC1 ZINC001605802998 1163676491 /nfs/dbraw/zinc/67/64/91/1163676491.db2.gz SWOQZESPZAPFNL-JTQLQIEISA-N -1 1 274.328 1.185 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1C[C@H](C)C(O)[C@@H](C)C1 ZINC001605803084 1163677474 /nfs/dbraw/zinc/67/74/74/1163677474.db2.gz WNYIXHLNCVGDAC-UWVGGRQHSA-N -1 1 288.355 1.023 20 0 CDADMM CCc1nnc(CN[C@H]2CCCCC[C@H]2C(=O)[O-])o1 ZINC001605869846 1163697896 /nfs/dbraw/zinc/69/78/96/1163697896.db2.gz NRVSETVHLGTWDA-ZJUUUORDSA-N -1 1 267.329 1.755 20 0 CDADMM Cc1ccc(N[C@H](C)[C@@H]2CCCOC2)nc1-c1nnn[n-]1 ZINC001605871772 1163700085 /nfs/dbraw/zinc/70/00/85/1163700085.db2.gz LJKRYLJVOAFCCK-GHMZBOCLSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(N[C@H](C)[C@@H]2CCCOC2)nc1-c1nn[n-]n1 ZINC001605871772 1163700089 /nfs/dbraw/zinc/70/00/89/1163700089.db2.gz LJKRYLJVOAFCCK-GHMZBOCLSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccccc1[C@@H]1C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001605944172 1163722581 /nfs/dbraw/zinc/72/25/81/1163722581.db2.gz YGQKILIHCGMFBD-NWDGAFQWSA-N -1 1 293.334 1.933 20 0 CDADMM Cc1ccccc1[C@@H]1C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001605944172 1163722587 /nfs/dbraw/zinc/72/25/87/1163722587.db2.gz YGQKILIHCGMFBD-NWDGAFQWSA-N -1 1 293.334 1.933 20 0 CDADMM CN(C(=O)c1cc(C(F)(F)F)[nH]n1)C(C)(C)C(=O)[O-] ZINC001605979733 1163735504 /nfs/dbraw/zinc/73/55/04/1163735504.db2.gz LUTRYDJPADMVJT-UHFFFAOYSA-N -1 1 279.218 1.364 20 0 CDADMM CN(C)C(=O)NCCN(C)[C@@H](C(=O)[O-])c1ccccc1F ZINC001606002041 1163739476 /nfs/dbraw/zinc/73/94/76/1163739476.db2.gz MQBJNCQODXHRJY-GFCCVEGCSA-N -1 1 297.330 1.154 20 0 CDADMM Cc1[nH]nc(NC[C@@H]2CCSC2)c1-c1nnn[n-]1 ZINC001606014416 1163743915 /nfs/dbraw/zinc/74/39/15/1163743915.db2.gz WWJFWYGAYOZFLI-ZETCQYMHSA-N -1 1 265.346 1.063 20 0 CDADMM Cc1[nH]nc(NC[C@@H]2CCSC2)c1-c1nn[n-]n1 ZINC001606014416 1163743919 /nfs/dbraw/zinc/74/39/19/1163743919.db2.gz WWJFWYGAYOZFLI-ZETCQYMHSA-N -1 1 265.346 1.063 20 0 CDADMM CN(Cc1c[nH]c(C(=O)[O-])c1)[C@@H]1CCCc2c1cnn2C ZINC001606145970 1163787285 /nfs/dbraw/zinc/78/72/85/1163787285.db2.gz RAJZSBDJYAMMNA-CYBMUJFWSA-N -1 1 288.351 1.956 20 0 CDADMM FC1(F)CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001606300497 1163844720 /nfs/dbraw/zinc/84/47/20/1163844720.db2.gz VUOYHQNLPCWCMU-UHFFFAOYSA-N -1 1 281.270 1.282 20 0 CDADMM FC1(F)CC[C@@H](Nc2cccnc2-c2nnn[n-]2)C1 ZINC001606300276 1163846053 /nfs/dbraw/zinc/84/60/53/1163846053.db2.gz SEUOOIGHUMQWGC-SSDOTTSWSA-N -1 1 266.255 1.861 20 0 CDADMM FC1(F)CC[C@@H](Nc2cccnc2-c2nn[n-]n2)C1 ZINC001606300276 1163846058 /nfs/dbraw/zinc/84/60/58/1163846058.db2.gz SEUOOIGHUMQWGC-SSDOTTSWSA-N -1 1 266.255 1.861 20 0 CDADMM F[C@H]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC001606304608 1163847567 /nfs/dbraw/zinc/84/75/67/1163847567.db2.gz ZPMSDXZHJHTEQQ-VIFPVBQESA-N -1 1 284.298 1.963 20 0 CDADMM F[C@H]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC001606304608 1163847570 /nfs/dbraw/zinc/84/75/70/1163847570.db2.gz ZPMSDXZHJHTEQQ-VIFPVBQESA-N -1 1 284.298 1.963 20 0 CDADMM FC1(F)C[C@@H]1CCNc1ncncc1-c1nn[n-]n1 ZINC001606301494 1163847875 /nfs/dbraw/zinc/84/78/75/1163847875.db2.gz UALAFBJPGYDYQU-LURJTMIESA-N -1 1 267.243 1.114 20 0 CDADMM O=C(CCCC1CC1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001606512692 1163920609 /nfs/dbraw/zinc/92/06/09/1163920609.db2.gz BSEFTMIBMCAGFP-UHFFFAOYSA-N -1 1 287.323 1.885 20 0 CDADMM O=C(CCCC1CC1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001606512692 1163920616 /nfs/dbraw/zinc/92/06/16/1163920616.db2.gz BSEFTMIBMCAGFP-UHFFFAOYSA-N -1 1 287.323 1.885 20 0 CDADMM O=C(Oc1ccc(F)cc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606989280 1164053860 /nfs/dbraw/zinc/05/38/60/1164053860.db2.gz TUZWEFCLPNVEIV-UHFFFAOYSA-N -1 1 285.238 1.620 20 0 CDADMM O=C(Oc1ccc(F)cc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606989280 1164053865 /nfs/dbraw/zinc/05/38/65/1164053865.db2.gz TUZWEFCLPNVEIV-UHFFFAOYSA-N -1 1 285.238 1.620 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC2(CCCC2)C1 ZINC001607017325 1164060565 /nfs/dbraw/zinc/06/05/65/1164060565.db2.gz PNALHCAHNSGBOK-UHFFFAOYSA-N -1 1 298.350 1.668 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC2(CCCC2)C1 ZINC001607017325 1164060570 /nfs/dbraw/zinc/06/05/70/1164060570.db2.gz PNALHCAHNSGBOK-UHFFFAOYSA-N -1 1 298.350 1.668 20 0 CDADMM c1cc([C@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)n[nH]1 ZINC001607117832 1164097913 /nfs/dbraw/zinc/09/79/13/1164097913.db2.gz IMWNXXICHAMION-LLVKDONJSA-N -1 1 297.326 1.111 20 0 CDADMM c1cc([C@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)n[nH]1 ZINC001607117832 1164097920 /nfs/dbraw/zinc/09/79/20/1164097920.db2.gz IMWNXXICHAMION-LLVKDONJSA-N -1 1 297.326 1.111 20 0 CDADMM c1cc(N2CC3CCC2CC3)nc(-c2nn[n-]n2)n1 ZINC001607120159 1164103816 /nfs/dbraw/zinc/10/38/16/1164103816.db2.gz OLOSGSWVIYHLFY-UHFFFAOYSA-N -1 1 257.301 1.036 20 0 CDADMM c1cc([C@@H]2C[C@H]2Nc2cncc(-c3nnn[n-]3)n2)cs1 ZINC001607124130 1164107614 /nfs/dbraw/zinc/10/76/14/1164107614.db2.gz WSVYKFDTGPQDRS-DTWKUNHWSA-N -1 1 285.336 1.686 20 0 CDADMM c1cc([C@@H]2C[C@H]2Nc2cncc(-c3nn[n-]n3)n2)cs1 ZINC001607124130 1164107619 /nfs/dbraw/zinc/10/76/19/1164107619.db2.gz WSVYKFDTGPQDRS-DTWKUNHWSA-N -1 1 285.336 1.686 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CC[C@H](C3CCCC3)C2)n1 ZINC001607136521 1164116139 /nfs/dbraw/zinc/11/61/39/1164116139.db2.gz HVGSHDZFOAYXCE-NSHDSACASA-N -1 1 285.355 1.673 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CC[C@H](C3CCCC3)C2)n1 ZINC001607136521 1164116144 /nfs/dbraw/zinc/11/61/44/1164116144.db2.gz HVGSHDZFOAYXCE-NSHDSACASA-N -1 1 285.355 1.673 20 0 CDADMM c1nc(N2CCCC23CCCCC3)cnc1-c1nnn[n-]1 ZINC001607137070 1164116780 /nfs/dbraw/zinc/11/67/80/1164116780.db2.gz GQJAFNYLTMIHMW-UHFFFAOYSA-N -1 1 285.355 1.960 20 0 CDADMM c1nc(N2CCCC23CCCCC3)cnc1-c1nn[n-]n1 ZINC001607137070 1164116786 /nfs/dbraw/zinc/11/67/86/1164116786.db2.gz GQJAFNYLTMIHMW-UHFFFAOYSA-N -1 1 285.355 1.960 20 0 CDADMM C[C@H](C(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-])N(C)C ZINC001607449028 1164185734 /nfs/dbraw/zinc/18/57/34/1164185734.db2.gz FIPLGYPAQNKWCQ-MRVWCRGKSA-N -1 1 296.411 1.819 20 0 CDADMM Cc1c(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])ccc2cncn21 ZINC001607509493 1164212072 /nfs/dbraw/zinc/21/20/72/1164212072.db2.gz WUYKAESXRWZGCX-BXKDBHETSA-N -1 1 273.292 1.093 20 0 CDADMM Cc1cccnc1CN1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001607888143 1164320911 /nfs/dbraw/zinc/32/09/11/1164320911.db2.gz BTGRXESZOYLSGQ-LLVKDONJSA-N -1 1 287.323 1.127 20 0 CDADMM Cc1cnc(Cl)c(CNCCn2cc(C(=O)[O-])nn2)c1 ZINC001607908076 1164333742 /nfs/dbraw/zinc/33/37/42/1164333742.db2.gz ZGVVACUOTYJDFJ-UHFFFAOYSA-N -1 1 295.730 1.123 20 0 CDADMM Cn1nc(C2CC2)cc1CNCc1c[nH]c(C(=O)[O-])c1 ZINC001608147353 1164424754 /nfs/dbraw/zinc/42/47/54/1164424754.db2.gz OGTFESXJNZURKD-UHFFFAOYSA-N -1 1 274.324 1.614 20 0 CDADMM Nc1c(NC(=O)CCc2cnc[nH]2)cccc1C(=O)[O-] ZINC001608269857 1164474797 /nfs/dbraw/zinc/47/47/97/1164474797.db2.gz CRTNPTOSLMFCDA-UHFFFAOYSA-N -1 1 274.280 1.261 20 0 CDADMM O=C([O-])C1(CN2CCN(c3ncccc3F)CC2)CC1 ZINC001608569647 1164549433 /nfs/dbraw/zinc/54/94/33/1164549433.db2.gz LEDDRBDSOHTNFV-UHFFFAOYSA-N -1 1 279.315 1.208 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](O)CN1Cc1ccc2cnccc2c1 ZINC001608606171 1164570664 /nfs/dbraw/zinc/57/06/64/1164570664.db2.gz GIAVLWPTXJHYIW-ZIAGYGMSSA-N -1 1 272.304 1.255 20 0 CDADMM O=C([O-])CN(C(=O)c1cccc(F)c1O)C1CC1 ZINC001608743765 1164626083 /nfs/dbraw/zinc/62/60/83/1164626083.db2.gz NKOOZELELMETNQ-UHFFFAOYSA-N -1 1 253.229 1.221 20 0 CDADMM O=C([O-])[C@]12CCC[C@H]1N(Cn1cc(Cl)cn1)CC2 ZINC001608824757 1164652670 /nfs/dbraw/zinc/65/26/70/1164652670.db2.gz CVVHGTBRBYNPGD-PWSUYJOCSA-N -1 1 269.732 1.823 20 0 CDADMM O=C([O-])c1cc(C2CN(C[C@H]3CCC=CO3)C2)[nH]n1 ZINC001608840693 1164657486 /nfs/dbraw/zinc/65/74/86/1164657486.db2.gz FCOHEGQDXFZYQN-SNVBAGLBSA-N -1 1 263.297 1.200 20 0 CDADMM O=C([O-])c1cc(F)cc(C(=O)N2CC(N3CCCC3)C2)c1 ZINC001608848367 1164663400 /nfs/dbraw/zinc/66/34/00/1164663400.db2.gz JULSEFDSBIAKCC-UHFFFAOYSA-N -1 1 292.310 1.444 20 0 CDADMM O=C([O-])c1cccc(CN2CC[C@H](n3cccn3)C2)n1 ZINC001608930995 1164687287 /nfs/dbraw/zinc/68/72/87/1164687287.db2.gz PURPYOJOESGNEV-LBPRGKRZSA-N -1 1 272.308 1.423 20 0 CDADMM O=C([O-])c1cccc2c1CN(Cc1nnc[nH]1)CC2 ZINC001608942221 1164689630 /nfs/dbraw/zinc/68/96/30/1164689630.db2.gz OXVMBUVJGQWAMO-UHFFFAOYSA-N -1 1 258.281 1.061 20 0 CDADMM O=C([O-])c1n[nH]c2c1CN(Cc1[nH]nc3ccccc31)CC2 ZINC001608994659 1164713338 /nfs/dbraw/zinc/71/33/38/1164713338.db2.gz XNDDCRQKAHGFIJ-UHFFFAOYSA-N -1 1 297.318 1.543 20 0 CDADMM O=C([O-])C12CCC(CC1)N2C(=O)c1cc(F)cc(F)c1O ZINC001609027732 1164733726 /nfs/dbraw/zinc/73/37/26/1164733726.db2.gz PNGGPTLMIROLKE-UHFFFAOYSA-N -1 1 297.257 1.892 20 0 CDADMM CC1(C)C[C@@H]1C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609143955 1164791318 /nfs/dbraw/zinc/79/13/18/1164791318.db2.gz CKLNIJDKQOPPED-SCSAIBSYSA-N -1 1 298.759 1.961 20 0 CDADMM CC1(CC(F)(F)F)CN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001609148765 1164796513 /nfs/dbraw/zinc/79/65/13/1164796513.db2.gz LINSWBGISVAYNE-UHFFFAOYSA-N -1 1 299.260 1.435 20 0 CDADMM CC1(CC(F)(F)F)CN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001609148765 1164796520 /nfs/dbraw/zinc/79/65/20/1164796520.db2.gz LINSWBGISVAYNE-UHFFFAOYSA-N -1 1 299.260 1.435 20 0 CDADMM C[C@H]1CCC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001609163219 1164811887 /nfs/dbraw/zinc/81/18/87/1164811887.db2.gz USLPDSXGVRWIJY-VHSXEESVSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@H]1CCC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001609163219 1164811894 /nfs/dbraw/zinc/81/18/94/1164811894.db2.gz USLPDSXGVRWIJY-VHSXEESVSA-N -1 1 273.344 1.672 20 0 CDADMM CC[C@@H](C)C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001609183850 1164823570 /nfs/dbraw/zinc/82/35/70/1164823570.db2.gz IOIHXVMVWWODPU-SSDOTTSWSA-N -1 1 295.293 1.807 20 0 CDADMM CC[C@@H](C)C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001609183850 1164823578 /nfs/dbraw/zinc/82/35/78/1164823578.db2.gz IOIHXVMVWWODPU-SSDOTTSWSA-N -1 1 295.293 1.807 20 0 CDADMM CC[C@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001609199938 1164840013 /nfs/dbraw/zinc/84/00/13/1164840013.db2.gz JJPQMXCVUGYCOM-UWVGGRQHSA-N -1 1 273.344 1.895 20 0 CDADMM CC[C@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001609199938 1164840019 /nfs/dbraw/zinc/84/00/19/1164840019.db2.gz JJPQMXCVUGYCOM-UWVGGRQHSA-N -1 1 273.344 1.895 20 0 CDADMM CC[C@H]1CCCN(c2ncncc2-c2nn[n-]n2)CC1 ZINC001609200653 1164841958 /nfs/dbraw/zinc/84/19/58/1164841958.db2.gz BSFFIUDYEZROMG-JTQLQIEISA-N -1 1 273.344 1.673 20 0 CDADMM CCC[C@@](C)(O)CNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001609204290 1164845305 /nfs/dbraw/zinc/84/53/05/1164845305.db2.gz XZKJTHCAOYKLFQ-CYBMUJFWSA-N -1 1 293.327 1.049 20 0 CDADMM CCC[C@@](C)(O)CNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609204290 1164845308 /nfs/dbraw/zinc/84/53/08/1164845308.db2.gz XZKJTHCAOYKLFQ-CYBMUJFWSA-N -1 1 293.327 1.049 20 0 CDADMM CCOC(=O)c1cnn(CC2(C)CCC2)c1-c1nn[n-]n1 ZINC001609235941 1164858977 /nfs/dbraw/zinc/85/89/77/1164858977.db2.gz JMXPEVKTVOJZBD-UHFFFAOYSA-N -1 1 290.327 1.430 20 0 CDADMM CCn1ccc(CN(C)c2ncncc2-c2nn[n-]n2)c1 ZINC001609258402 1164865651 /nfs/dbraw/zinc/86/56/51/1164865651.db2.gz HCGXOYPIRWJCNV-UHFFFAOYSA-N -1 1 284.327 1.115 20 0 CDADMM CCc1nc(CNc2n[nH]cc2-c2nnn[n-]2)cs1 ZINC001609254872 1164867464 /nfs/dbraw/zinc/86/74/64/1164867464.db2.gz IFFQHHOZIPNPOF-UHFFFAOYSA-N -1 1 276.329 1.221 20 0 CDADMM CCc1nc(CNc2n[nH]cc2-c2nn[n-]n2)cs1 ZINC001609254872 1164867470 /nfs/dbraw/zinc/86/74/70/1164867470.db2.gz IFFQHHOZIPNPOF-UHFFFAOYSA-N -1 1 276.329 1.221 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC3(CCC3)[C@@H]2C(C)C)n1 ZINC001609391763 1164922392 /nfs/dbraw/zinc/92/23/92/1164922392.db2.gz UMFXRBKWIORCQJ-LBPRGKRZSA-N -1 1 299.382 1.980 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC3(CCC3)[C@@H]2C(C)C)n1 ZINC001609391763 1164922396 /nfs/dbraw/zinc/92/23/96/1164922396.db2.gz UMFXRBKWIORCQJ-LBPRGKRZSA-N -1 1 299.382 1.980 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(Nc2cc3n(n2)CCCC3)n1 ZINC001609393109 1164925483 /nfs/dbraw/zinc/92/54/83/1164925483.db2.gz ZWZLAMWRPLJOOV-UHFFFAOYSA-N -1 1 297.326 1.242 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(Nc2cc3n(n2)CCCC3)n1 ZINC001609393109 1164925489 /nfs/dbraw/zinc/92/54/89/1164925489.db2.gz ZWZLAMWRPLJOOV-UHFFFAOYSA-N -1 1 297.326 1.242 20 0 CDADMM Cc1cc(NCCC[C@@H](C)O)cc(-c2nnn[n-]2)n1 ZINC001609409277 1164934833 /nfs/dbraw/zinc/93/48/33/1164934833.db2.gz FQLJNSNJZOMEBJ-SECBINFHSA-N -1 1 262.317 1.143 20 0 CDADMM Cc1cc(NCCC[C@@H](C)O)cc(-c2nn[n-]n2)n1 ZINC001609409277 1164934836 /nfs/dbraw/zinc/93/48/36/1164934836.db2.gz FQLJNSNJZOMEBJ-SECBINFHSA-N -1 1 262.317 1.143 20 0 CDADMM Cc1ccc(N[C@H](C)C[C@H]2CCOC2)nc1-c1nnn[n-]1 ZINC001609426574 1164942790 /nfs/dbraw/zinc/94/27/90/1164942790.db2.gz AHKVBIMNQIXROM-GHMZBOCLSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(N[C@H](C)C[C@H]2CCOC2)nc1-c1nn[n-]n1 ZINC001609426574 1164942798 /nfs/dbraw/zinc/94/27/98/1164942798.db2.gz AHKVBIMNQIXROM-GHMZBOCLSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c(C)n1 ZINC001609426866 1164944348 /nfs/dbraw/zinc/94/43/48/1164944348.db2.gz WEOKPBZITAYPRG-UHFFFAOYSA-N -1 1 284.279 1.724 20 0 CDADMM Cc1cccnc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609437433 1164945790 /nfs/dbraw/zinc/94/57/90/1164945790.db2.gz FZDOAMVCVJHFDZ-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1cccnc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609437433 1164945796 /nfs/dbraw/zinc/94/57/96/1164945796.db2.gz FZDOAMVCVJHFDZ-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1ccnc(COc2ccc(F)nc2-c2nn[n-]n2)c1 ZINC001609438498 1164946169 /nfs/dbraw/zinc/94/61/69/1164946169.db2.gz NRCJZCMQXVCXGW-UHFFFAOYSA-N -1 1 286.270 1.683 20 0 CDADMM Cc1ccn(CCC(F)(F)F)c(=O)c1-c1nn[n-]n1 ZINC001609437593 1164946497 /nfs/dbraw/zinc/94/64/97/1164946497.db2.gz NNHREDXPRKFZDJ-UHFFFAOYSA-N -1 1 273.218 1.289 20 0 CDADMM Cc1nsc(NC(=O)[C@@H]2CC23CC3)c1-c1nnn[n-]1 ZINC001609465610 1164962126 /nfs/dbraw/zinc/96/21/26/1164962126.db2.gz XDAIAUBAKFIADA-LURJTMIESA-N -1 1 276.325 1.370 20 0 CDADMM Cc1nsc(NC(=O)[C@@H]2CC23CC3)c1-c1nn[n-]n1 ZINC001609465610 1164962131 /nfs/dbraw/zinc/96/21/31/1164962131.db2.gz XDAIAUBAKFIADA-LURJTMIESA-N -1 1 276.325 1.370 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC(F)(F)CC1 ZINC001609582385 1164996229 /nfs/dbraw/zinc/99/62/29/1164996229.db2.gz WMEPGPQBPXUOHT-UHFFFAOYSA-N -1 1 299.306 1.800 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC(F)(F)CC1 ZINC001609582385 1164996233 /nfs/dbraw/zinc/99/62/33/1164996233.db2.gz WMEPGPQBPXUOHT-UHFFFAOYSA-N -1 1 299.306 1.800 20 0 CDADMM O=c1c(-c2nn[n-]n2)cn(CC(F)F)c2ccccc12 ZINC001609604119 1165000775 /nfs/dbraw/zinc/00/07/75/1165000775.db2.gz VWQBJLXCYSAALQ-UHFFFAOYSA-N -1 1 277.234 1.447 20 0 CDADMM Cc1ccc(CN[C@@H](CC(F)(F)F)C(=O)[O-])nc1 ZINC001610501689 1165331167 /nfs/dbraw/zinc/33/11/67/1165331167.db2.gz PSSPSLOBZZZVBI-VIFPVBQESA-N -1 1 262.231 1.885 20 0 CDADMM Cc1sc(NC(=O)N2CCNCC2)c(C(=O)[O-])c1C ZINC001610593095 1165369778 /nfs/dbraw/zinc/36/97/78/1165369778.db2.gz LTRAAGPIGOLUPF-UHFFFAOYSA-N -1 1 283.353 1.500 20 0 CDADMM Cn1cc(CN2CCCc3c(cnn3C)C2)cc1C(=O)[O-] ZINC001610602501 1165372891 /nfs/dbraw/zinc/37/28/91/1165372891.db2.gz FQNBRWWXVHKKBP-UHFFFAOYSA-N -1 1 288.351 1.405 20 0 CDADMM O=C([O-])[C@@H]1CC(=O)N(CN2CCCCCCC2)C1 ZINC001610733847 1165419972 /nfs/dbraw/zinc/41/99/72/1165419972.db2.gz FLKVVBKEANZKJA-LLVKDONJSA-N -1 1 254.330 1.143 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1CC1OCCO1 ZINC001610736790 1165422777 /nfs/dbraw/zinc/42/27/77/1165422777.db2.gz ZVBUVSYKPJSQHS-CHWSQXEVSA-N -1 1 283.368 1.715 20 0 CDADMM O=C([O-])c1coc(CN2CC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC001610867709 1165468106 /nfs/dbraw/zinc/46/81/06/1165468106.db2.gz OLPUDFZCWLKXHW-XVKPBYJWSA-N -1 1 293.241 1.723 20 0 CDADMM CC1N=NC(C(=O)Nc2cccc(-n3ccnc3)c2)=C1[O-] ZINC001630276714 1166197304 /nfs/dbraw/zinc/19/73/04/1166197304.db2.gz QHYDMFBPJCFUID-UHFFFAOYSA-N -1 1 283.291 1.862 20 0 CDADMM CCC(F)(F)C(=O)NC(CC)(CC)c1nn[n-]n1 ZINC001634820140 1166539709 /nfs/dbraw/zinc/53/97/09/1166539709.db2.gz IWTGLAGFENCLAS-UHFFFAOYSA-N -1 1 261.276 1.377 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1CCC1=CCCCC1 ZINC000095150655 1166595684 /nfs/dbraw/zinc/59/56/84/1166595684.db2.gz AVJMWJGYMSMPCA-UHFFFAOYSA-N -1 1 271.324 1.919 20 0 CDADMM O=[N+]([O-])c1ccccc1Oc1cnc(-c2nnn[n-]2)cn1 ZINC000095167406 1166604895 /nfs/dbraw/zinc/60/48/95/1166604895.db2.gz AUUBXTASCLDJLL-UHFFFAOYSA-N -1 1 285.223 1.357 20 0 CDADMM O=[N+]([O-])c1ccccc1Oc1cnc(-c2nn[n-]n2)cn1 ZINC000095167406 1166604897 /nfs/dbraw/zinc/60/48/97/1166604897.db2.gz AUUBXTASCLDJLL-UHFFFAOYSA-N -1 1 285.223 1.357 20 0 CDADMM CC[C@@H](C)C(=O)OCC(=O)c1ccc([O-])cc1O ZINC000055337163 1167012571 /nfs/dbraw/zinc/01/25/71/1167012571.db2.gz WJGKEXBAHLRJES-MRVPVSSYSA-N -1 1 252.266 1.870 20 0 CDADMM CCn1ncn([N-]C(=O)c2cc(F)cc3ccoc32)c1=O ZINC001641712446 1167130512 /nfs/dbraw/zinc/13/05/12/1167130512.db2.gz XOZVEPYEHVKHBA-UHFFFAOYSA-N -1 1 290.254 1.334 20 0 CDADMM CCC(F)(F)C(=O)[N-][C@@H](C)C(=O)NCC(F)(F)F ZINC001771791529 1167331840 /nfs/dbraw/zinc/33/18/40/1167331840.db2.gz RVQVZOSENGAJPV-YFKPBYRVSA-N -1 1 276.205 1.215 20 0 CDADMM CCOc1cccc(F)c1CN[C@H](COC)C(=O)[O-] ZINC001646084192 1167639273 /nfs/dbraw/zinc/63/92/73/1167639273.db2.gz LHEWNERVALSQSN-LLVKDONJSA-N -1 1 271.288 1.414 20 0 CDADMM C[C@@H](SCc1ccccc1)C(=O)N(C)c1nn[n-]n1 ZINC001646203205 1167693461 /nfs/dbraw/zinc/69/34/61/1167693461.db2.gz HLGWUWUFCYTAJJ-SECBINFHSA-N -1 1 277.353 1.484 20 0 CDADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC[C@H](CCCO)C1 ZINC001646253644 1167725174 /nfs/dbraw/zinc/72/51/74/1167725174.db2.gz AYBUSZGPPXLAHV-JTQLQIEISA-N -1 1 291.351 1.294 20 0 CDADMM Cc1csc2nc(CC(=O)NOCCCC(=O)[O-])cn12 ZINC001607933446 1167916327 /nfs/dbraw/zinc/91/63/27/1167916327.db2.gz BCXYKNFSFNWKQH-UHFFFAOYSA-N -1 1 297.336 1.159 20 0 CDADMM CCN(Cc1nc(C(=O)[O-])cs1)C[C@H]1CCOC1 ZINC001647253524 1168493552 /nfs/dbraw/zinc/49/35/52/1168493552.db2.gz KMJDSOYLYREBMF-SECBINFHSA-N -1 1 270.354 1.700 20 0 CDADMM Cc1ccc([C@@H](C)NC(=O)COCc2nn[n-]n2)cc1C ZINC001650013457 1169606041 /nfs/dbraw/zinc/60/60/41/1169606041.db2.gz WRIDZSPCKMJDBP-LLVKDONJSA-N -1 1 289.339 1.211 20 0 CDADMM CN1CCC[C@@H]1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001650025050 1169622921 /nfs/dbraw/zinc/62/29/21/1169622921.db2.gz WTGCKILKQBQTPL-GFCCVEGCSA-N -1 1 278.308 1.183 20 0 CDADMM CC(C)[C@@H](NC[C@@H]1C[C@H]1C(=O)[O-])c1nc(C2CC2)no1 ZINC001573495612 1170674918 /nfs/dbraw/zinc/67/49/18/1170674918.db2.gz YNCHNOHCOSFPSO-HBNTYKKESA-N -1 1 279.340 1.954 20 0 CDADMM Cc1n[nH]c(CN2CC[C@@H](c3cnccn3)C2)c1C(=O)[O-] ZINC001574114783 1170886593 /nfs/dbraw/zinc/88/65/93/1170886593.db2.gz XWNGAWYVDNFMCV-SNVBAGLBSA-N -1 1 287.323 1.196 20 0 CDADMM Cc1cc(CCC(=O)NC[C@@](C)(CC(C)C)C(=O)[O-])n[nH]1 ZINC001574134989 1170892642 /nfs/dbraw/zinc/89/26/42/1170892642.db2.gz OUAMDQREAPJFNJ-OAHLLOKOSA-N -1 1 295.383 1.904 20 0 CDADMM Cn1cc(CN[C@@H]2C[C@H]2C(F)(F)F)c(C(=O)[O-])n1 ZINC001574213870 1170922107 /nfs/dbraw/zinc/92/21/07/1170922107.db2.gz XOWQZUZLANGTRM-RNFRBKRXSA-N -1 1 263.219 1.159 20 0 CDADMM O=C([O-])Nc1ccc(NC(=O)CCCc2nn[nH]n2)cc1 ZINC001574384846 1170964835 /nfs/dbraw/zinc/96/48/35/1170964835.db2.gz SEODSWKKLKDWMC-UHFFFAOYSA-N -1 1 290.283 1.251 20 0 CDADMM COc1nn(C)cc1C(=O)[N-]c1nc(-c2ccccc2)no1 ZINC001654274584 1171603141 /nfs/dbraw/zinc/60/31/41/1171603141.db2.gz UTLPAVSYZUYXJK-UHFFFAOYSA-N -1 1 299.290 1.731 20 0 CDADMM O=C(Cc1cnn(-c2ccccc2)c1)Nc1c[n-][nH]c1=O ZINC001654600322 1171621474 /nfs/dbraw/zinc/62/14/74/1171621474.db2.gz YHAKWAKEVFAQQS-UHFFFAOYSA-N -1 1 283.291 1.482 20 0 CDADMM Cc1ccc(CNC(=O)c2coc(-c3nnn[n-]3)c2)s1 ZINC001581199038 1172593615 /nfs/dbraw/zinc/59/36/15/1172593615.db2.gz FGEJMPZOXXRGCX-UHFFFAOYSA-N -1 1 289.320 1.760 20 0 CDADMM Cc1ccc(CNC(=O)c2coc(-c3nn[n-]n3)c2)s1 ZINC001581199038 1172593618 /nfs/dbraw/zinc/59/36/18/1172593618.db2.gz FGEJMPZOXXRGCX-UHFFFAOYSA-N -1 1 289.320 1.760 20 0 CDADMM Cc1ccc(CC(=O)Nc2cccc(-c3nnn[n-]3)n2)o1 ZINC001581192014 1172593807 /nfs/dbraw/zinc/59/38/07/1172593807.db2.gz HVGYGHXDHJWKOY-UHFFFAOYSA-N -1 1 284.279 1.344 20 0 CDADMM Cc1ccc(CC(=O)Nc2cccc(-c3nn[n-]n3)n2)o1 ZINC001581192014 1172593812 /nfs/dbraw/zinc/59/38/12/1172593812.db2.gz HVGYGHXDHJWKOY-UHFFFAOYSA-N -1 1 284.279 1.344 20 0 CDADMM Cc1nc(NC(=O)c2coc(-c3nnn[n-]3)c2)sc1C ZINC001581490887 1172612395 /nfs/dbraw/zinc/61/23/95/1172612395.db2.gz ZSMFIAYPEKDNPC-UHFFFAOYSA-N -1 1 290.308 1.785 20 0 CDADMM C[C@@H](CSC(F)(F)F)C(=O)Nc1nnn[n-]1 ZINC000080353949 1172922779 /nfs/dbraw/zinc/92/27/79/1172922779.db2.gz IYWMVAVSFQYLTE-VKHMYHEASA-N -1 1 255.225 1.027 20 0 CDADMM C[C@@H](CSC(F)(F)F)C(=O)Nc1nn[n-]n1 ZINC000080353949 1172922782 /nfs/dbraw/zinc/92/27/82/1172922782.db2.gz IYWMVAVSFQYLTE-VKHMYHEASA-N -1 1 255.225 1.027 20 0 CDADMM CN(C(=O)Cc1coc2c1ccc(F)c2F)c1nn[n-]n1 ZINC001586261916 1172939021 /nfs/dbraw/zinc/93/90/21/1172939021.db2.gz APVCFGYNKFGIIK-UHFFFAOYSA-N -1 1 293.233 1.430 20 0 CDADMM C[C@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)C1CCC1 ZINC001588999412 1173118682 /nfs/dbraw/zinc/11/86/82/1173118682.db2.gz KKQNTYHRDHTNJE-VIFPVBQESA-N -1 1 286.339 1.314 20 0 CDADMM C[C@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)C1CCC1 ZINC001588999412 1173118686 /nfs/dbraw/zinc/11/86/86/1173118686.db2.gz KKQNTYHRDHTNJE-VIFPVBQESA-N -1 1 286.339 1.314 20 0 CDADMM CC(C)(C)[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001589104886 1173124783 /nfs/dbraw/zinc/12/47/83/1173124783.db2.gz IXMDTPOQSIYSLT-NSHDSACASA-N -1 1 288.355 1.513 20 0 CDADMM CC(C)(C)[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001589104886 1173124785 /nfs/dbraw/zinc/12/47/85/1173124785.db2.gz IXMDTPOQSIYSLT-NSHDSACASA-N -1 1 288.355 1.513 20 0 CDADMM CC(C)(CNc1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001589292746 1173133350 /nfs/dbraw/zinc/13/33/50/1173133350.db2.gz RUAFLVGNVCKDLT-UHFFFAOYSA-N -1 1 296.338 1.441 20 0 CDADMM CC(C)(CNc1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001589292746 1173133358 /nfs/dbraw/zinc/13/33/58/1173133358.db2.gz RUAFLVGNVCKDLT-UHFFFAOYSA-N -1 1 296.338 1.441 20 0 CDADMM CC(C)[C@@H]1CCN1C(=O)c1ccsc1-c1nnn[n-]1 ZINC001589509915 1173154214 /nfs/dbraw/zinc/15/42/14/1173154214.db2.gz IFJIPAVCSUXBJN-VIFPVBQESA-N -1 1 277.353 1.799 20 0 CDADMM CC(C)[C@@H]1CCN1C(=O)c1ccsc1-c1nn[n-]n1 ZINC001589509915 1173154219 /nfs/dbraw/zinc/15/42/19/1173154219.db2.gz IFJIPAVCSUXBJN-VIFPVBQESA-N -1 1 277.353 1.799 20 0 CDADMM CC(C)Cn1ccnc1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001589670672 1173167957 /nfs/dbraw/zinc/16/79/57/1173167957.db2.gz BYRGRCWDTSPZOF-UHFFFAOYSA-N -1 1 298.354 1.148 20 0 CDADMM CC(C)Cn1ccnc1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001589670672 1173167959 /nfs/dbraw/zinc/16/79/59/1173167959.db2.gz BYRGRCWDTSPZOF-UHFFFAOYSA-N -1 1 298.354 1.148 20 0 CDADMM CC(C)O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001589740088 1173170109 /nfs/dbraw/zinc/17/01/09/1173170109.db2.gz XCKNUHJYNNEMMU-JTQLQIEISA-N -1 1 289.343 1.051 20 0 CDADMM CC(C)O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001589740088 1173170113 /nfs/dbraw/zinc/17/01/13/1173170113.db2.gz XCKNUHJYNNEMMU-JTQLQIEISA-N -1 1 289.343 1.051 20 0 CDADMM CC(C)c1ocnc1COc1cnc(-c2nn[n-]n2)nc1 ZINC001589780469 1173177810 /nfs/dbraw/zinc/17/78/10/1173177810.db2.gz PWFURNYTAIPGDH-UHFFFAOYSA-N -1 1 287.283 1.347 20 0 CDADMM C[C@H](CC(F)(F)F)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589798415 1173185309 /nfs/dbraw/zinc/18/53/09/1173185309.db2.gz BUTJNHNCFZXBRQ-ZCFIWIBFSA-N -1 1 272.234 1.436 20 0 CDADMM C[C@@H](CCC1CC1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589805108 1173188784 /nfs/dbraw/zinc/18/87/84/1173188784.db2.gz HDTJIGVMJFKCAX-VIFPVBQESA-N -1 1 286.339 1.570 20 0 CDADMM C[C@@H](CCC1CC1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589805108 1173188789 /nfs/dbraw/zinc/18/87/89/1173188789.db2.gz HDTJIGVMJFKCAX-VIFPVBQESA-N -1 1 286.339 1.570 20 0 CDADMM C[C@H](Cc1cccnc1)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589901132 1173198496 /nfs/dbraw/zinc/19/84/96/1173198496.db2.gz IILJWUCJLNLCDI-SECBINFHSA-N -1 1 298.306 1.216 20 0 CDADMM C[C@H](Cc1cccnc1)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589901132 1173198498 /nfs/dbraw/zinc/19/84/98/1173198498.db2.gz IILJWUCJLNLCDI-SECBINFHSA-N -1 1 298.306 1.216 20 0 CDADMM C/C(Cl)=C/C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001589905266 1173200977 /nfs/dbraw/zinc/20/09/77/1173200977.db2.gz WFLFVVYCVZQTDF-ALCCZGGFSA-N -1 1 279.687 1.419 20 0 CDADMM C[C@H](O)C[C@H](C)CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589999741 1173229720 /nfs/dbraw/zinc/22/97/20/1173229720.db2.gz ZGSZVVSKPZSDOZ-YUMQZZPRSA-N -1 1 295.368 1.065 20 0 CDADMM C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)C(F)F ZINC001590011790 1173233987 /nfs/dbraw/zinc/23/39/87/1173233987.db2.gz XLFFFACEXVIGFX-RXMQYKEDSA-N -1 1 269.211 1.072 20 0 CDADMM C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)C(F)F ZINC001590011790 1173233991 /nfs/dbraw/zinc/23/39/91/1173233991.db2.gz XLFFFACEXVIGFX-RXMQYKEDSA-N -1 1 269.211 1.072 20 0 CDADMM C[C@]1(C(=O)OCc2ccc(-c3nnn[n-]3)o2)CCCCO1 ZINC001590074351 1173244632 /nfs/dbraw/zinc/24/46/32/1173244632.db2.gz SOZDXZCSYWAXDV-CYBMUJFWSA-N -1 1 292.295 1.462 20 0 CDADMM C[C@]1(C(=O)OCc2ccc(-c3nn[n-]n3)o2)CCCCO1 ZINC001590074351 1173244639 /nfs/dbraw/zinc/24/46/39/1173244639.db2.gz SOZDXZCSYWAXDV-CYBMUJFWSA-N -1 1 292.295 1.462 20 0 CDADMM CC1(C)CCN(c2cccnc2-c2nnn[n-]2)CCS1 ZINC001590099899 1173258023 /nfs/dbraw/zinc/25/80/23/1173258023.db2.gz LIZMTXLRLCSZAR-UHFFFAOYSA-N -1 1 290.396 1.984 20 0 CDADMM CC1(C)CCN(c2cccnc2-c2nn[n-]n2)CCS1 ZINC001590099899 1173258029 /nfs/dbraw/zinc/25/80/29/1173258029.db2.gz LIZMTXLRLCSZAR-UHFFFAOYSA-N -1 1 290.396 1.984 20 0 CDADMM CC1=C(C)CN(C(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001590159557 1173275440 /nfs/dbraw/zinc/27/54/40/1173275440.db2.gz JXGJYQIFQSVLGT-UHFFFAOYSA-N -1 1 273.296 1.642 20 0 CDADMM CC1=C(C)CN(C(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001590159557 1173275448 /nfs/dbraw/zinc/27/54/48/1173275448.db2.gz JXGJYQIFQSVLGT-UHFFFAOYSA-N -1 1 273.296 1.642 20 0 CDADMM C[C@@H]1CC(F)(F)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001590191422 1173286072 /nfs/dbraw/zinc/28/60/72/1173286072.db2.gz GKFUSUCVHAGKGC-SSDOTTSWSA-N -1 1 281.270 1.281 20 0 CDADMM C[C@@H]1CC(F)(F)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001590191422 1173286077 /nfs/dbraw/zinc/28/60/77/1173286077.db2.gz GKFUSUCVHAGKGC-SSDOTTSWSA-N -1 1 281.270 1.281 20 0 CDADMM C[C@@H]1C[C@H](NC(=O)c2ccsc2-c2nnn[n-]2)[C@@H](C)O1 ZINC001590203887 1173289078 /nfs/dbraw/zinc/28/90/78/1173289078.db2.gz XHEWYZPQCROOCZ-BHNWBGBOSA-N -1 1 293.352 1.224 20 0 CDADMM C[C@@H]1C[C@H](NC(=O)c2ccsc2-c2nn[n-]n2)[C@@H](C)O1 ZINC001590203887 1173289081 /nfs/dbraw/zinc/28/90/81/1173289081.db2.gz XHEWYZPQCROOCZ-BHNWBGBOSA-N -1 1 293.352 1.224 20 0 CDADMM C[C@H]1CCCCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590255065 1173324338 /nfs/dbraw/zinc/32/43/38/1173324338.db2.gz PTVAQRNDLXMCCG-JTQLQIEISA-N -1 1 286.339 1.524 20 0 CDADMM C[C@H]1CCCCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590255065 1173324343 /nfs/dbraw/zinc/32/43/43/1173324343.db2.gz PTVAQRNDLXMCCG-JTQLQIEISA-N -1 1 286.339 1.524 20 0 CDADMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)Cc2cncnc21 ZINC001590314997 1173350289 /nfs/dbraw/zinc/35/02/89/1173350289.db2.gz KPDIQKLOZQFAQI-VIFPVBQESA-N -1 1 294.322 1.175 20 0 CDADMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)Cc2cncnc21 ZINC001590314997 1173350294 /nfs/dbraw/zinc/35/02/94/1173350294.db2.gz KPDIQKLOZQFAQI-VIFPVBQESA-N -1 1 294.322 1.175 20 0 CDADMM C[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC(C)(C)C1 ZINC001590316397 1173350380 /nfs/dbraw/zinc/35/03/80/1173350380.db2.gz LNZAQWXDWGLRRX-SECBINFHSA-N -1 1 273.344 1.529 20 0 CDADMM C[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC(C)(C)C1 ZINC001590316397 1173350383 /nfs/dbraw/zinc/35/03/83/1173350383.db2.gz LNZAQWXDWGLRRX-SECBINFHSA-N -1 1 273.344 1.529 20 0 CDADMM C[C@H]1OCC[C@@H]1SCc1nc(-c2nnn[n-]2)cs1 ZINC001590339357 1173366009 /nfs/dbraw/zinc/36/60/09/1173366009.db2.gz WFHBSFIYYIINAF-SVRRBLITSA-N -1 1 283.382 1.734 20 0 CDADMM C[C@H]1OCC[C@@H]1SCc1nc(-c2nn[n-]n2)cs1 ZINC001590339357 1173366015 /nfs/dbraw/zinc/36/60/15/1173366015.db2.gz WFHBSFIYYIINAF-SVRRBLITSA-N -1 1 283.382 1.734 20 0 CDADMM C[C@H]1c2sccc2CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590344559 1173367340 /nfs/dbraw/zinc/36/73/40/1173367340.db2.gz ULCCKEDEHGPARY-QMMMGPOBSA-N -1 1 299.363 1.842 20 0 CDADMM C[C@H]1c2sccc2CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590344559 1173367348 /nfs/dbraw/zinc/36/73/48/1173367348.db2.gz ULCCKEDEHGPARY-QMMMGPOBSA-N -1 1 299.363 1.842 20 0 CDADMM C/C=C\COC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590352668 1173370921 /nfs/dbraw/zinc/37/09/21/1173370921.db2.gz CUBXIJIWDVWPBG-IHWYPQMZSA-N -1 1 262.244 1.739 20 0 CDADMM C/C=C\COC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590352668 1173370925 /nfs/dbraw/zinc/37/09/25/1173370925.db2.gz CUBXIJIWDVWPBG-IHWYPQMZSA-N -1 1 262.244 1.739 20 0 CDADMM CC[C@H](OC(=O)c1ccc(-c2nn[n-]n2)o1)C(F)(F)F ZINC001590477463 1173426765 /nfs/dbraw/zinc/42/67/65/1173426765.db2.gz KYYHTWLVVSQQJQ-ZETCQYMHSA-N -1 1 290.201 1.957 20 0 CDADMM CC[C@H](SC)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590482204 1173430947 /nfs/dbraw/zinc/43/09/47/1173430947.db2.gz BBSBIOUFTBCZAR-QMMMGPOBSA-N -1 1 278.341 1.342 20 0 CDADMM CC[C@H](SC)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590482204 1173430957 /nfs/dbraw/zinc/43/09/57/1173430957.db2.gz BBSBIOUFTBCZAR-QMMMGPOBSA-N -1 1 278.341 1.342 20 0 CDADMM CCC1(CC)CN(c2cc(-c3nnn[n-]3)nc(C)n2)C1 ZINC001590492161 1173434951 /nfs/dbraw/zinc/43/49/51/1173434951.db2.gz BKCSDSNOADNBCR-UHFFFAOYSA-N -1 1 273.344 1.592 20 0 CDADMM CCC1(CC)CN(c2cc(-c3nn[n-]n3)nc(C)n2)C1 ZINC001590492161 1173434955 /nfs/dbraw/zinc/43/49/55/1173434955.db2.gz BKCSDSNOADNBCR-UHFFFAOYSA-N -1 1 273.344 1.592 20 0 CDADMM CC[C@@H]1C[C@@H](CNc2n[nH]c(C)c2-c2nnn[n-]2)CCO1 ZINC001590503185 1173439444 /nfs/dbraw/zinc/43/94/44/1173439444.db2.gz ITOSLWQGBGGSKO-VHSXEESVSA-N -1 1 291.359 1.515 20 0 CDADMM CC[C@@H]1C[C@@H](CNc2n[nH]c(C)c2-c2nn[n-]n2)CCO1 ZINC001590503185 1173439457 /nfs/dbraw/zinc/43/94/57/1173439457.db2.gz ITOSLWQGBGGSKO-VHSXEESVSA-N -1 1 291.359 1.515 20 0 CDADMM CCC[C@H]1CN(c2ccc(C)nc2-c2nnn[n-]2)CCO1 ZINC001590569063 1173465139 /nfs/dbraw/zinc/46/51/39/1173465139.db2.gz MKTIWVAPQKCUGA-NSHDSACASA-N -1 1 288.355 1.575 20 0 CDADMM CCC[C@H]1CN(c2ccc(C)nc2-c2nn[n-]n2)CCO1 ZINC001590569063 1173465143 /nfs/dbraw/zinc/46/51/43/1173465143.db2.gz MKTIWVAPQKCUGA-NSHDSACASA-N -1 1 288.355 1.575 20 0 CDADMM CCN(CC(C)C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590681666 1173490659 /nfs/dbraw/zinc/49/06/59/1173490659.db2.gz ZATWYVPPBQDNEZ-UHFFFAOYSA-N -1 1 261.333 1.447 20 0 CDADMM CCN(CC(C)C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590681666 1173490662 /nfs/dbraw/zinc/49/06/62/1173490662.db2.gz ZATWYVPPBQDNEZ-UHFFFAOYSA-N -1 1 261.333 1.447 20 0 CDADMM CCc1ccc(Nc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001590890926 1173536063 /nfs/dbraw/zinc/53/60/63/1173536063.db2.gz AJANBYPHUBHFFH-UHFFFAOYSA-N -1 1 266.308 1.990 20 0 CDADMM CCc1ccc(Nc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001590890926 1173536068 /nfs/dbraw/zinc/53/60/68/1173536068.db2.gz AJANBYPHUBHFFH-UHFFFAOYSA-N -1 1 266.308 1.990 20 0 CDADMM CCc1nc(NC[C@@H](C)SC)cc(-c2nnn[n-]2)n1 ZINC001590917325 1173541773 /nfs/dbraw/zinc/54/17/73/1173541773.db2.gz MRUCAMMESHPUMM-SSDOTTSWSA-N -1 1 279.373 1.383 20 0 CDADMM CCc1nc(NC[C@@H](C)SC)cc(-c2nn[n-]n2)n1 ZINC001590917325 1173541777 /nfs/dbraw/zinc/54/17/77/1173541777.db2.gz MRUCAMMESHPUMM-SSDOTTSWSA-N -1 1 279.373 1.383 20 0 CDADMM CCc1nc(NC/C=C\C2CC2)cc(-c2nnn[n-]2)n1 ZINC001590919167 1173543102 /nfs/dbraw/zinc/54/31/02/1173543102.db2.gz NWRIUZRPDSMVNV-ARJAWSKDSA-N -1 1 271.328 1.597 20 0 CDADMM CCc1nc(NC/C=C\C2CC2)cc(-c2nn[n-]n2)n1 ZINC001590919167 1173543105 /nfs/dbraw/zinc/54/31/05/1173543105.db2.gz NWRIUZRPDSMVNV-ARJAWSKDSA-N -1 1 271.328 1.597 20 0 CDADMM CCc1nc(NCc2cnc(C)o2)cc(-c2nnn[n-]2)n1 ZINC001590922739 1173544977 /nfs/dbraw/zinc/54/49/77/1173544977.db2.gz NPJGXHQIEIULSW-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CCc1nc(NCc2cnc(C)o2)cc(-c2nn[n-]n2)n1 ZINC001590922739 1173544981 /nfs/dbraw/zinc/54/49/81/1173544981.db2.gz NPJGXHQIEIULSW-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CN(CCC(C)(C)C)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591063148 1173569466 /nfs/dbraw/zinc/56/94/66/1173569466.db2.gz YKMBIRNIRKWZAD-UHFFFAOYSA-N -1 1 288.355 1.770 20 0 CDADMM CN(CCC(C)(C)C)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591063148 1173569473 /nfs/dbraw/zinc/56/94/73/1173569473.db2.gz YKMBIRNIRKWZAD-UHFFFAOYSA-N -1 1 288.355 1.770 20 0 CDADMM CNc1nnc(Sc2ccnc(-c3nnn[n-]3)c2)s1 ZINC001591225578 1173592422 /nfs/dbraw/zinc/59/24/22/1173592422.db2.gz QOSYONNGQWDUBW-UHFFFAOYSA-N -1 1 292.353 1.306 20 0 CDADMM CNc1nnc(Sc2ccnc(-c3nn[n-]n3)c2)s1 ZINC001591225578 1173592427 /nfs/dbraw/zinc/59/24/27/1173592427.db2.gz QOSYONNGQWDUBW-UHFFFAOYSA-N -1 1 292.353 1.306 20 0 CDADMM COC[C@H](C)CNc1ccc(C)nc1-c1nnn[n-]1 ZINC001591374017 1173632939 /nfs/dbraw/zinc/63/29/39/1173632939.db2.gz PQZRQHIJPNPAKK-MRVPVSSYSA-N -1 1 262.317 1.265 20 0 CDADMM COC[C@H](C)CNc1ccc(C)nc1-c1nn[n-]n1 ZINC001591374017 1173632949 /nfs/dbraw/zinc/63/29/49/1173632949.db2.gz PQZRQHIJPNPAKK-MRVPVSSYSA-N -1 1 262.317 1.265 20 0 CDADMM COC[C@@H]1CCCN(c2cc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001591393398 1173642591 /nfs/dbraw/zinc/64/25/91/1173642591.db2.gz AZQSOIKGVPTJQR-LLVKDONJSA-N -1 1 288.355 1.433 20 0 CDADMM COC[C@@H]1CCCN(c2cc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001591393398 1173642593 /nfs/dbraw/zinc/64/25/93/1173642593.db2.gz AZQSOIKGVPTJQR-LLVKDONJSA-N -1 1 288.355 1.433 20 0 CDADMM COCCCSc1cccnc1-c1nnn[n-]1 ZINC001591419711 1173649190 /nfs/dbraw/zinc/64/91/90/1173649190.db2.gz TXWOKUVJUDOPSX-UHFFFAOYSA-N -1 1 251.315 1.390 20 0 CDADMM COCCCSc1cccnc1-c1nn[n-]n1 ZINC001591419711 1173649193 /nfs/dbraw/zinc/64/91/93/1173649193.db2.gz TXWOKUVJUDOPSX-UHFFFAOYSA-N -1 1 251.315 1.390 20 0 CDADMM COCc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001591456940 1173653625 /nfs/dbraw/zinc/65/36/25/1173653625.db2.gz DQTVMXYHBIOYRE-UHFFFAOYSA-N -1 1 283.295 1.547 20 0 CDADMM COCc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001591456940 1173653631 /nfs/dbraw/zinc/65/36/31/1173653631.db2.gz DQTVMXYHBIOYRE-UHFFFAOYSA-N -1 1 283.295 1.547 20 0 CDADMM CO[C@@H]1CCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591469271 1173655820 /nfs/dbraw/zinc/65/58/20/1173655820.db2.gz NTNJKMOKVSAGLW-NXEZZACHSA-N -1 1 291.311 1.065 20 0 CDADMM CO[C@@H]1CCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591469271 1173655825 /nfs/dbraw/zinc/65/58/25/1173655825.db2.gz NTNJKMOKVSAGLW-NXEZZACHSA-N -1 1 291.311 1.065 20 0 CDADMM COc1cccc(CNc2nccnc2-c2nnn[n-]2)c1C ZINC001591639601 1173677333 /nfs/dbraw/zinc/67/73/33/1173677333.db2.gz KAACAWKBMXCZLJ-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1cccc(CNc2nccnc2-c2nn[n-]n2)c1C ZINC001591639601 1173677336 /nfs/dbraw/zinc/67/73/36/1173677336.db2.gz KAACAWKBMXCZLJ-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1ncc(NC(=O)NC(C)(C)C)cc1-c1nn[n-]n1 ZINC001591665453 1173679500 /nfs/dbraw/zinc/67/95/00/1173679500.db2.gz ZEPHSPFASIGHRR-UHFFFAOYSA-N -1 1 291.315 1.190 20 0 CDADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@H]2CC=CCC2)nn1C ZINC001591798003 1173707165 /nfs/dbraw/zinc/70/71/65/1173707165.db2.gz COTNDJVUQAFJOO-VIFPVBQESA-N -1 1 287.327 1.203 20 0 CDADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@H]2CC=CCC2)nn1C ZINC001591798003 1173707169 /nfs/dbraw/zinc/70/71/69/1173707169.db2.gz COTNDJVUQAFJOO-VIFPVBQESA-N -1 1 287.327 1.203 20 0 CDADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CCOC(C)(C)C)c1 ZINC001591836949 1173711249 /nfs/dbraw/zinc/71/12/49/1173711249.db2.gz PJZMNSXWWTWNLL-UHFFFAOYSA-N -1 1 277.328 1.152 20 0 CDADMM Cc1ccnc([C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)n1 ZINC001591890858 1173741641 /nfs/dbraw/zinc/74/16/41/1173741641.db2.gz HOBVVPHTJNAEOR-SECBINFHSA-N -1 1 297.326 1.237 20 0 CDADMM Cc1ccnc([C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)n1 ZINC001591890858 1173741645 /nfs/dbraw/zinc/74/16/45/1173741645.db2.gz HOBVVPHTJNAEOR-SECBINFHSA-N -1 1 297.326 1.237 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCc2ccc(F)cn2)n1 ZINC001591900622 1173744437 /nfs/dbraw/zinc/74/44/37/1173744437.db2.gz CBSPMBAJGDGVPR-UHFFFAOYSA-N -1 1 286.274 1.111 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCc2ccc(F)cn2)n1 ZINC001591900622 1173744441 /nfs/dbraw/zinc/74/44/41/1173744441.db2.gz CBSPMBAJGDGVPR-UHFFFAOYSA-N -1 1 286.274 1.111 20 0 CDADMM Cc1cc([C@H]2CCCN2c2cc(-c3nnn[n-]3)ncn2)no1 ZINC001591960477 1173754897 /nfs/dbraw/zinc/75/48/97/1173754897.db2.gz RTUWYUYHTYIPRV-LLVKDONJSA-N -1 1 298.310 1.295 20 0 CDADMM Cc1cc([C@H]2CCCN2c2cc(-c3nn[n-]n3)ncn2)no1 ZINC001591960477 1173754906 /nfs/dbraw/zinc/75/49/06/1173754906.db2.gz RTUWYUYHTYIPRV-LLVKDONJSA-N -1 1 298.310 1.295 20 0 CDADMM Cc1cc(N2CCC[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001592003775 1173769298 /nfs/dbraw/zinc/76/92/98/1173769298.db2.gz JRIMIVJYVGGHNV-VIFPVBQESA-N -1 1 258.329 1.806 20 0 CDADMM Cc1cc(N2CCC[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001592003775 1173769302 /nfs/dbraw/zinc/76/93/02/1173769302.db2.gz JRIMIVJYVGGHNV-VIFPVBQESA-N -1 1 258.329 1.806 20 0 CDADMM Cc1cc(=O)[nH]cc1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592056949 1173788784 /nfs/dbraw/zinc/78/87/84/1173788784.db2.gz AUGQMYMFEWKQRT-UHFFFAOYSA-N -1 1 286.251 1.121 20 0 CDADMM Cc1cc(=O)[nH]cc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592056949 1173788790 /nfs/dbraw/zinc/78/87/90/1173788790.db2.gz AUGQMYMFEWKQRT-UHFFFAOYSA-N -1 1 286.251 1.121 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H](CO)CC1CC1 ZINC001592114055 1173804830 /nfs/dbraw/zinc/80/48/30/1173804830.db2.gz MYMORNCEWIIZCM-LLVKDONJSA-N -1 1 288.355 1.391 20 0 CDADMM Cc1ccc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)o1 ZINC001592128516 1173807883 /nfs/dbraw/zinc/80/78/83/1173807883.db2.gz JFWUDVFRKUZYMY-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1ccc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)o1 ZINC001592128516 1173807887 /nfs/dbraw/zinc/80/78/87/1173807887.db2.gz JFWUDVFRKUZYMY-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1ccc(CNc2cc(-c3nnn[n-]3)ncn2)s1 ZINC001592166909 1173820543 /nfs/dbraw/zinc/82/05/43/1173820543.db2.gz NZKILSBKUGKSDE-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1ccc(CNc2cc(-c3nn[n-]n3)ncn2)s1 ZINC001592166909 1173820552 /nfs/dbraw/zinc/82/05/52/1173820552.db2.gz NZKILSBKUGKSDE-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1ccc(F)cc1Oc1ccc(-c2nnn[n-]2)nn1 ZINC001592173276 1173820567 /nfs/dbraw/zinc/82/05/67/1173820567.db2.gz HXOVBKDVDTXGGT-UHFFFAOYSA-N -1 1 272.243 1.897 20 0 CDADMM Cc1ccc(F)cc1Oc1ccc(-c2nn[n-]n2)nn1 ZINC001592173276 1173820574 /nfs/dbraw/zinc/82/05/74/1173820574.db2.gz HXOVBKDVDTXGGT-UHFFFAOYSA-N -1 1 272.243 1.897 20 0 CDADMM Cc1ccc(N2C[C@@H](C)[C@@](C)(CO)C2)c(-c2nnn[n-]2)n1 ZINC001592174385 1173824511 /nfs/dbraw/zinc/82/45/11/1173824511.db2.gz CGTFAHOHVFWHDH-YMTOWFKASA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(N2C[C@@H](C)[C@@](C)(CO)C2)c(-c2nn[n-]n2)n1 ZINC001592174385 1173824514 /nfs/dbraw/zinc/82/45/14/1173824514.db2.gz CGTFAHOHVFWHDH-YMTOWFKASA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(NC2C[C@H](C)O[C@@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001592184023 1173829052 /nfs/dbraw/zinc/82/90/52/1173829052.db2.gz OLADNCLZDHNHSN-UWVGGRQHSA-N -1 1 288.355 1.938 20 0 CDADMM Cc1ccc(NC2C[C@H](C)O[C@@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001592184023 1173829055 /nfs/dbraw/zinc/82/90/55/1173829055.db2.gz OLADNCLZDHNHSN-UWVGGRQHSA-N -1 1 288.355 1.938 20 0 CDADMM Cc1ccc(NC[C@@H]2CCCO2)nc1-c1nnn[n-]1 ZINC001592186192 1173831917 /nfs/dbraw/zinc/83/19/17/1173831917.db2.gz SKTALHGXKSGNCE-VIFPVBQESA-N -1 1 260.301 1.161 20 0 CDADMM Cc1ccc(NC[C@@H]2CCCO2)nc1-c1nn[n-]n1 ZINC001592186192 1173831921 /nfs/dbraw/zinc/83/19/21/1173831921.db2.gz SKTALHGXKSGNCE-VIFPVBQESA-N -1 1 260.301 1.161 20 0 CDADMM Cc1cccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)c1C ZINC001592221109 1173834197 /nfs/dbraw/zinc/83/41/97/1173834197.db2.gz MJKRMMVDORVLEM-UHFFFAOYSA-N -1 1 283.295 1.459 20 0 CDADMM Cc1ccc([C@@H]2C[C@H]2Nc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001592199031 1173834293 /nfs/dbraw/zinc/83/42/93/1173834293.db2.gz AIDUNCQCKBXTNE-NWDGAFQWSA-N -1 1 293.334 1.933 20 0 CDADMM Cc1ccc([C@@H]2C[C@H]2Nc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001592199031 1173834297 /nfs/dbraw/zinc/83/42/97/1173834297.db2.gz AIDUNCQCKBXTNE-NWDGAFQWSA-N -1 1 293.334 1.933 20 0 CDADMM Cc1ccncc1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001592279478 1173842615 /nfs/dbraw/zinc/84/26/15/1173842615.db2.gz YTHBWSUKSRDKGM-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1ccncc1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001592279478 1173842620 /nfs/dbraw/zinc/84/26/20/1173842620.db2.gz YTHBWSUKSRDKGM-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1ccoc1CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001592284364 1173846230 /nfs/dbraw/zinc/84/62/30/1173846230.db2.gz YFPYKVPXYAKYPC-UHFFFAOYSA-N -1 1 289.320 1.760 20 0 CDADMM Cc1coc(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)c1 ZINC001592306065 1173851533 /nfs/dbraw/zinc/85/15/33/1173851533.db2.gz IEOHWYODFJFCIA-UHFFFAOYSA-N -1 1 299.294 1.621 20 0 CDADMM Cc1cocc1C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001592309749 1173852787 /nfs/dbraw/zinc/85/27/87/1173852787.db2.gz FYBPNMGGJOYBOI-UHFFFAOYSA-N -1 1 290.308 1.785 20 0 CDADMM Cc1cocc1C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001592309749 1173852792 /nfs/dbraw/zinc/85/27/92/1173852792.db2.gz FYBPNMGGJOYBOI-UHFFFAOYSA-N -1 1 290.308 1.785 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(CCCOC(C)(C)C)c1C ZINC001592339473 1173861780 /nfs/dbraw/zinc/86/17/80/1173861780.db2.gz NINXJKMOZCSRNL-UHFFFAOYSA-N -1 1 278.360 1.885 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(CCCOC(C)(C)C)c1C ZINC001592339473 1173861783 /nfs/dbraw/zinc/86/17/83/1173861783.db2.gz NINXJKMOZCSRNL-UHFFFAOYSA-N -1 1 278.360 1.885 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](CF)C2)n1 ZINC001592340977 1173862839 /nfs/dbraw/zinc/86/28/39/1173862839.db2.gz LAMDUFWXKVKOMX-SECBINFHSA-N -1 1 277.307 1.151 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](CF)C2)n1 ZINC001592340977 1173862844 /nfs/dbraw/zinc/86/28/44/1173862844.db2.gz LAMDUFWXKVKOMX-SECBINFHSA-N -1 1 277.307 1.151 20 0 CDADMM Cc1noc(CSc2cccnc2-c2nnn[n-]2)n1 ZINC001592462722 1173896839 /nfs/dbraw/zinc/89/68/39/1173896839.db2.gz SXQWPPSYRRPSHG-UHFFFAOYSA-N -1 1 275.297 1.245 20 0 CDADMM Cc1noc(CSc2cccnc2-c2nn[n-]n2)n1 ZINC001592462722 1173896843 /nfs/dbraw/zinc/89/68/43/1173896843.db2.gz SXQWPPSYRRPSHG-UHFFFAOYSA-N -1 1 275.297 1.245 20 0 CDADMM Clc1nc(N[C@H]2CCCOC2)sc1-c1nnn[n-]1 ZINC001592537748 1173915246 /nfs/dbraw/zinc/91/52/46/1173915246.db2.gz BMFNIOIHWRNWHC-YFKPBYRVSA-N -1 1 286.748 1.568 20 0 CDADMM Clc1nc(N[C@H]2CCCOC2)sc1-c1nn[n-]n1 ZINC001592537748 1173915253 /nfs/dbraw/zinc/91/52/53/1173915253.db2.gz BMFNIOIHWRNWHC-YFKPBYRVSA-N -1 1 286.748 1.568 20 0 CDADMM Clc1cncnc1NCc1nc(-c2nnn[n-]2)cs1 ZINC001592538290 1173916274 /nfs/dbraw/zinc/91/62/74/1173916274.db2.gz KEDQRORTKHRDHS-UHFFFAOYSA-N -1 1 294.731 1.379 20 0 CDADMM Clc1cncnc1NCc1nc(-c2nn[n-]n2)cs1 ZINC001592538290 1173916277 /nfs/dbraw/zinc/91/62/77/1173916277.db2.gz KEDQRORTKHRDHS-UHFFFAOYSA-N -1 1 294.731 1.379 20 0 CDADMM FC(F)(F)C1=CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001592613851 1173928927 /nfs/dbraw/zinc/92/89/27/1173928927.db2.gz MXKBWIVTWNTIFI-UHFFFAOYSA-N -1 1 296.256 1.961 20 0 CDADMM FC(F)(F)C1=CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001592613851 1173928930 /nfs/dbraw/zinc/92/89/30/1173928930.db2.gz MXKBWIVTWNTIFI-UHFFFAOYSA-N -1 1 296.256 1.961 20 0 CDADMM FC(F)(F)[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001592617940 1173931122 /nfs/dbraw/zinc/93/11/22/1173931122.db2.gz KLNJBGAQQGWSDO-SSDOTTSWSA-N -1 1 299.260 1.435 20 0 CDADMM FC(F)(F)[C@@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001592617940 1173931128 /nfs/dbraw/zinc/93/11/28/1173931128.db2.gz KLNJBGAQQGWSDO-SSDOTTSWSA-N -1 1 299.260 1.435 20 0 CDADMM FC(F)C1CCN(c2ncncc2-c2nn[n-]n2)CC1 ZINC001592624926 1173933199 /nfs/dbraw/zinc/93/31/99/1173933199.db2.gz PQINZYZEVQBFGE-UHFFFAOYSA-N -1 1 281.270 1.138 20 0 CDADMM Fc1ccc(CNc2ncncc2-c2nn[n-]n2)cc1 ZINC001592650928 1173953261 /nfs/dbraw/zinc/95/32/61/1173953261.db2.gz HJDIDACEVBGXFM-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC1CCCCC1 ZINC001592916230 1174004634 /nfs/dbraw/zinc/00/46/34/1174004634.db2.gz ZAHKUKZGBRCFJC-UHFFFAOYSA-N -1 1 286.339 1.253 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC1CCCCC1 ZINC001592916230 1174004642 /nfs/dbraw/zinc/00/46/42/1174004642.db2.gz ZAHKUKZGBRCFJC-UHFFFAOYSA-N -1 1 286.339 1.253 20 0 CDADMM O=C(N[C@H]1CC12CC2)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001592966771 1174008270 /nfs/dbraw/zinc/00/82/70/1174008270.db2.gz HUNHFPKEQZZZCC-JTQLQIEISA-N -1 1 294.318 1.630 20 0 CDADMM O=C(N[C@@H]1CCC[C@H](F)C1)c1ccc(-c2nnn[n-]2)o1 ZINC001592975463 1174011376 /nfs/dbraw/zinc/01/13/76/1174011376.db2.gz NFMSNFPPDZDETR-JGVFFNPUSA-N -1 1 279.275 1.470 20 0 CDADMM O=C(N[C@@H]1CCC[C@H](F)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001592975463 1174011379 /nfs/dbraw/zinc/01/13/79/1174011379.db2.gz NFMSNFPPDZDETR-JGVFFNPUSA-N -1 1 279.275 1.470 20 0 CDADMM O=C(NCC[C@H]1CCCS1)c1coc(-c2nnn[n-]2)c1 ZINC001593064744 1174022212 /nfs/dbraw/zinc/02/22/12/1174022212.db2.gz BTVBBHZVTVPLTI-SECBINFHSA-N -1 1 293.352 1.475 20 0 CDADMM O=C(NCC[C@H]1CCCS1)c1coc(-c2nn[n-]n2)c1 ZINC001593064744 1174022218 /nfs/dbraw/zinc/02/22/18/1174022218.db2.gz BTVBBHZVTVPLTI-SECBINFHSA-N -1 1 293.352 1.475 20 0 CDADMM O=C(NCc1cccs1)c1cccc(-c2nnn[n-]2)n1 ZINC001593147387 1174026641 /nfs/dbraw/zinc/02/66/41/1174026641.db2.gz PDNDEJQAAXCWDP-UHFFFAOYSA-N -1 1 286.320 1.253 20 0 CDADMM O=C(NCc1cccs1)c1cccc(-c2nn[n-]n2)n1 ZINC001593147387 1174026648 /nfs/dbraw/zinc/02/66/48/1174026648.db2.gz PDNDEJQAAXCWDP-UHFFFAOYSA-N -1 1 286.320 1.253 20 0 CDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1C1CCC1 ZINC001593146008 1174027008 /nfs/dbraw/zinc/02/70/08/1174027008.db2.gz DVIYMOYVHUIGFX-NWDGAFQWSA-N -1 1 298.350 1.314 20 0 CDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1C1CCC1 ZINC001593146008 1174027016 /nfs/dbraw/zinc/02/70/16/1174027016.db2.gz DVIYMOYVHUIGFX-NWDGAFQWSA-N -1 1 298.350 1.314 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1C[C@H]2CCCC[C@H]21 ZINC001593243212 1174036869 /nfs/dbraw/zinc/03/68/69/1174036869.db2.gz AAEUMZGOXACMSD-MWLCHTKSSA-N -1 1 299.338 1.668 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1C[C@H]2CCCC[C@H]21 ZINC001593243212 1174036875 /nfs/dbraw/zinc/03/68/75/1174036875.db2.gz AAEUMZGOXACMSD-MWLCHTKSSA-N -1 1 299.338 1.668 20 0 CDADMM O=C(Nc1ccc2c[nH]nc2c1)c1coc(-c2nnn[n-]2)c1 ZINC001593239753 1174037304 /nfs/dbraw/zinc/03/73/04/1174037304.db2.gz VPIMHKXHZMDWMN-UHFFFAOYSA-N -1 1 295.262 1.588 20 0 CDADMM O=C(Nc1ccc2c[nH]nc2c1)c1coc(-c2nn[n-]n2)c1 ZINC001593239753 1174037309 /nfs/dbraw/zinc/03/73/09/1174037309.db2.gz VPIMHKXHZMDWMN-UHFFFAOYSA-N -1 1 295.262 1.588 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001593260521 1174042752 /nfs/dbraw/zinc/04/27/52/1174042752.db2.gz MDMHZZWGKIPRBR-PSVAKVPMSA-N -1 1 287.327 1.355 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@H]1C[C@@H]1C1CCCC1 ZINC001593261562 1174044170 /nfs/dbraw/zinc/04/41/70/1174044170.db2.gz WSIXITAIEYPROT-BDAKNGLRSA-N -1 1 287.327 1.355 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@@H]2CCC[C@H]21 ZINC001593338580 1174068021 /nfs/dbraw/zinc/06/80/21/1174068021.db2.gz DUTMQZAISKCSGG-VHSXEESVSA-N -1 1 287.323 1.864 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@@H]2CCC[C@H]21 ZINC001593338580 1174068029 /nfs/dbraw/zinc/06/80/29/1174068029.db2.gz DUTMQZAISKCSGG-VHSXEESVSA-N -1 1 287.323 1.864 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1CCC1SCCS1 ZINC001593492948 1174086817 /nfs/dbraw/zinc/08/68/17/1174086817.db2.gz RGQMLRHPHKIQKT-UHFFFAOYSA-N -1 1 295.393 1.225 20 0 CDADMM OCC1(CCNc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC001593526208 1174103008 /nfs/dbraw/zinc/10/30/08/1174103008.db2.gz JPMCVNUPBLSJRF-UHFFFAOYSA-N -1 1 294.746 1.490 20 0 CDADMM OCC1(CCNc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC001593526208 1174103011 /nfs/dbraw/zinc/10/30/11/1174103011.db2.gz JPMCVNUPBLSJRF-UHFFFAOYSA-N -1 1 294.746 1.490 20 0 CDADMM Oc1ccc(CNc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001593540582 1174112783 /nfs/dbraw/zinc/11/27/83/1174112783.db2.gz JXTSWCMEINBQLD-UHFFFAOYSA-N -1 1 268.280 1.001 20 0 CDADMM Oc1ccc(CNc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001593540582 1174112787 /nfs/dbraw/zinc/11/27/87/1174112787.db2.gz JXTSWCMEINBQLD-UHFFFAOYSA-N -1 1 268.280 1.001 20 0 CDADMM c1cc(N[C@@H]2CCCC23CCCCC3)nc(-c2nn[n-]n2)n1 ZINC001593558163 1174134438 /nfs/dbraw/zinc/13/44/38/1174134438.db2.gz KTARGNDJFZIJLZ-LLVKDONJSA-N -1 1 299.382 1.994 20 0 CDADMM c1cc(NCCOCC2CC2)cc(-c2nnn[n-]2)n1 ZINC001593560938 1174136306 /nfs/dbraw/zinc/13/63/06/1174136306.db2.gz NRWSIVNYEWFRNQ-UHFFFAOYSA-N -1 1 260.301 1.100 20 0 CDADMM c1cc(NCCOCC2CC2)cc(-c2nn[n-]n2)n1 ZINC001593560938 1174136311 /nfs/dbraw/zinc/13/63/11/1174136311.db2.gz NRWSIVNYEWFRNQ-UHFFFAOYSA-N -1 1 260.301 1.100 20 0 CDADMM c1cc(N[C@@H]2CCC[C@]23CCCO3)cc(-c2nnn[n-]2)n1 ZINC001593560551 1174136859 /nfs/dbraw/zinc/13/68/59/1174136859.db2.gz GZVVCHKPFSMPOZ-OCCSQVGLSA-N -1 1 286.339 1.197 20 0 CDADMM c1cc(N[C@@H]2CCC[C@]23CCCO3)cc(-c2nn[n-]n2)n1 ZINC001593560551 1174136862 /nfs/dbraw/zinc/13/68/62/1174136862.db2.gz GZVVCHKPFSMPOZ-OCCSQVGLSA-N -1 1 286.339 1.197 20 0 CDADMM c1ccc2c(c1)CCC[C@H]2Nc1ccnc(-c2nn[n-]n2)n1 ZINC001593579711 1174144442 /nfs/dbraw/zinc/14/44/42/1174144442.db2.gz AFCNQFDSCNALRA-GFCCVEGCSA-N -1 1 293.334 1.568 20 0 CDADMM c1c2ccccc2[nH]c1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001593577884 1174145408 /nfs/dbraw/zinc/14/54/08/1174145408.db2.gz FYDUQAAUYWEMFR-UHFFFAOYSA-N -1 1 291.318 1.777 20 0 CDADMM c1c2ccccc2[nH]c1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001593577884 1174145413 /nfs/dbraw/zinc/14/54/13/1174145413.db2.gz FYDUQAAUYWEMFR-UHFFFAOYSA-N -1 1 291.318 1.777 20 0 CDADMM c1cnc2c(c1)CCC[C@H]2Nc1cncc(-c2nnn[n-]2)n1 ZINC001593587885 1174156389 /nfs/dbraw/zinc/15/63/89/1174156389.db2.gz PHFZVTIMBUVLNR-SNVBAGLBSA-N -1 1 294.322 1.541 20 0 CDADMM c1cnc2c(c1)CCC[C@H]2Nc1cncc(-c2nn[n-]n2)n1 ZINC001593587885 1174156393 /nfs/dbraw/zinc/15/63/93/1174156393.db2.gz PHFZVTIMBUVLNR-SNVBAGLBSA-N -1 1 294.322 1.541 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(N[C@@H]2C[C@H]3CCC[C@@H]32)n1 ZINC001593594292 1174161854 /nfs/dbraw/zinc/16/18/54/1174161854.db2.gz AKDKZPWTMCBKJS-KHQFGBGNSA-N -1 1 257.301 1.257 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1N[C@@H]1CCC[C@]12CCCO2 ZINC001593594019 1174163050 /nfs/dbraw/zinc/16/30/50/1174163050.db2.gz YMQBTKUKPIQALN-MFKMUULPSA-N -1 1 287.327 1.170 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1N[C@@H]1CCC[C@]12CCCO2 ZINC001593594019 1174163056 /nfs/dbraw/zinc/16/30/56/1174163056.db2.gz YMQBTKUKPIQALN-MFKMUULPSA-N -1 1 287.327 1.170 20 0 CDADMM Cc1c(C(=O)[O-])cc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)n1C ZINC001599985047 1174330595 /nfs/dbraw/zinc/33/05/95/1174330595.db2.gz IMEYIUISIUWOCZ-JTQLQIEISA-N -1 1 280.324 1.328 20 0 CDADMM Cc1cc(C(=O)[O-])nc(N2CCN(C)C[C@H]2C(C)C)n1 ZINC001600126826 1174367798 /nfs/dbraw/zinc/36/77/98/1174367798.db2.gz XCRPJJAEMMQTOB-LBPRGKRZSA-N -1 1 278.356 1.260 20 0 CDADMM Cc1cc([C@H](C)N2CC[C@@H](CO)[C@H](O)C2)oc1C(=O)[O-] ZINC001600149893 1174381153 /nfs/dbraw/zinc/38/11/53/1174381153.db2.gz LGEVIPDIMHOELF-GARJFASQSA-N -1 1 283.324 1.022 20 0 CDADMM Cc1cc(NC(=O)CCc2nc[nH]n2)nc(C)c1C(=O)[O-] ZINC001600255724 1174426226 /nfs/dbraw/zinc/42/62/26/1174426226.db2.gz VTVJVGRSMAEQTE-UHFFFAOYSA-N -1 1 289.295 1.086 20 0 CDADMM Cc1ccc([C@@H](NCc2cnc[nH]2)C(=O)[O-])cc1C ZINC001600384808 1174459050 /nfs/dbraw/zinc/45/90/50/1174459050.db2.gz LGACVAUMIQNFGY-CYBMUJFWSA-N -1 1 259.309 1.942 20 0 CDADMM Cn1cc(CNCc2c(C3CC3)cnn2C)cc1C(=O)[O-] ZINC001600954404 1174678389 /nfs/dbraw/zinc/67/83/89/1174678389.db2.gz KPIAYJINGLLAQP-UHFFFAOYSA-N -1 1 288.351 1.624 20 0 CDADMM C[C@@H]1C[C@@H](C)CN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC000103593540 1174682571 /nfs/dbraw/zinc/68/25/71/1174682571.db2.gz DOXMMAGQNORGMK-NXEZZACHSA-N -1 1 258.329 1.744 20 0 CDADMM O=C([O-])[C@H](NC(=O)c1ccc2cncn2c1)c1cccnc1 ZINC001601403416 1174857909 /nfs/dbraw/zinc/85/79/09/1174857909.db2.gz MVISRSBTCYTXFP-CYBMUJFWSA-N -1 1 296.286 1.285 20 0 CDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC=CCCC1 ZINC001601565721 1174901215 /nfs/dbraw/zinc/90/12/15/1174901215.db2.gz MJVMVJRSYVYXLY-YPMHNXCESA-N -1 1 291.351 1.658 20 0 CDADMM O=C([O-])C1(C(=O)CSc2n[nH]c(C3CC3)n2)CC1 ZINC001601697212 1174948207 /nfs/dbraw/zinc/94/82/07/1174948207.db2.gz GELOIJWVHLJYPF-UHFFFAOYSA-N -1 1 267.310 1.208 20 0 CDADMM O=C([O-])C1(C(=O)CSc2nnc(C3CC3)[nH]2)CC1 ZINC001601697212 1174948199 /nfs/dbraw/zinc/94/81/99/1174948199.db2.gz GELOIJWVHLJYPF-UHFFFAOYSA-N -1 1 267.310 1.208 20 0 CDADMM O=C([O-])[C@@H](c1ccsc1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC001601826957 1175026078 /nfs/dbraw/zinc/02/60/78/1175026078.db2.gz OWHWCKAZZHVICD-IONNQARKSA-N -1 1 255.295 1.280 20 0 CDADMM O=C([O-])CC1CC(NC(=O)[C@H]2NCCc3ccccc32)C1 ZINC001601942959 1175078301 /nfs/dbraw/zinc/07/83/01/1175078301.db2.gz URSUZASDROCTPA-QHAMSDLMSA-N -1 1 288.347 1.243 20 0 CDADMM O=C([O-])CN(C(=O)CN1CCCC1)c1ccccc1 ZINC001602050053 1175119809 /nfs/dbraw/zinc/11/98/09/1175119809.db2.gz IFWBWPGOCYJLIB-UHFFFAOYSA-N -1 1 262.309 1.200 20 0 CDADMM O=C([O-])CN1CCN(C(=O)[C@H]2C[C@H]2C2CCCC2)CC1 ZINC001602063020 1175123906 /nfs/dbraw/zinc/12/39/06/1175123906.db2.gz GXOGYIRZLCNPPI-STQMWFEESA-N -1 1 280.368 1.042 20 0 CDADMM O=C([O-])Cc1ccc(NC(=O)Cc2cnc[nH]2)cc1 ZINC001602123491 1175135991 /nfs/dbraw/zinc/13/59/91/1175135991.db2.gz XVWUVPHIPVGGKN-UHFFFAOYSA-N -1 1 259.265 1.218 20 0 CDADMM O=C([O-])[C@]12CN(Cn3ccsc3=O)C[C@H]1CCCC2 ZINC001602206143 1175165749 /nfs/dbraw/zinc/16/57/49/1175165749.db2.gz CWLWNIRNNHVROA-ZWNOBZJWSA-N -1 1 282.365 1.444 20 0 CDADMM O=C([O-])c1c(C2CC2)csc1NC(=O)N1CCNCC1 ZINC001602227423 1175174827 /nfs/dbraw/zinc/17/48/27/1175174827.db2.gz JRBQDSHOVXNKMT-UHFFFAOYSA-N -1 1 295.364 1.761 20 0 CDADMM O=C([O-])c1cc(C2CCN(Cc3cnc[nH]3)CC2)no1 ZINC001602252545 1175180753 /nfs/dbraw/zinc/18/07/53/1175180753.db2.gz JIISGDBFXJPAKE-UHFFFAOYSA-N -1 1 276.296 1.476 20 0 CDADMM O=C([O-])c1ccc(CN2CCC(CO)(CO)CC2)c(F)c1 ZINC001602336913 1175209993 /nfs/dbraw/zinc/20/99/93/1175209993.db2.gz ZGTAQCGLNLUVIC-UHFFFAOYSA-N -1 1 297.326 1.091 20 0 CDADMM O=C([O-])c1cccc2c1C[N@@H+](C[C@H](O)c1ccccn1)CC2 ZINC001602459209 1175246590 /nfs/dbraw/zinc/24/65/90/1175246590.db2.gz NUIGBVIKQABWER-INIZCTEOSA-N -1 1 298.342 1.872 20 0 CDADMM O=C([O-])c1ccsc1NC(=O)c1cncc2nc[nH]c21 ZINC001602490365 1175261436 /nfs/dbraw/zinc/26/14/36/1175261436.db2.gz PTFKZQJSWQZUIU-UHFFFAOYSA-N -1 1 288.288 1.970 20 0 CDADMM O=C([O-])c1cn(CN2CC[C@H]3CCCC[C@@H]3C2)nn1 ZINC001602504850 1175262211 /nfs/dbraw/zinc/26/22/11/1175262211.db2.gz ABERYQRZZHKRSD-GHMZBOCLSA-N -1 1 264.329 1.446 20 0 CDADMM O=C([O-])c1cnc(CN2CCc3ccc(O)cc3CC2)cn1 ZINC001602519174 1175266200 /nfs/dbraw/zinc/26/62/00/1175266200.db2.gz BGZMRRFUTBRNTN-UHFFFAOYSA-N -1 1 299.330 1.481 20 0 CDADMM O=C([O-])c1coc(C(=O)Nc2cccc3[nH]nnc32)c1 ZINC001602551043 1175291083 /nfs/dbraw/zinc/29/10/83/1175291083.db2.gz VDXJGLRFHJSUGJ-UHFFFAOYSA-N -1 1 272.220 1.501 20 0 CDADMM C/C(=C\C(=O)[O-])CSc1nc(-c2cccnc2)n[nH]1 ZINC001602958737 1175459918 /nfs/dbraw/zinc/45/99/18/1175459918.db2.gz XLXUTXXFEQRFLK-VMPITWQZSA-N -1 1 276.321 1.990 20 0 CDADMM C/C(=C/C(=O)[O-])CN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC001602958743 1175460119 /nfs/dbraw/zinc/46/01/19/1175460119.db2.gz XOQKDCXKUIYDNQ-BPOWMSRESA-N -1 1 281.274 1.653 20 0 CDADMM C/C(=C/CN1C[C@H](C)O[C@@]2(CCCOC2)C1)C(=O)[O-] ZINC001602962855 1175460737 /nfs/dbraw/zinc/46/07/37/1175460737.db2.gz PKVNMCCNTKVKRT-QKJHHXGCSA-N -1 1 269.341 1.287 20 0 CDADMM C/C(=C\C(C)(C)C)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001602960523 1175460770 /nfs/dbraw/zinc/46/07/70/1175460770.db2.gz TZQNLECTIFETPT-OALRPVAKSA-N -1 1 279.340 1.514 20 0 CDADMM C/C(=C/CN1C[C@H](C)O[C@]2(CCCOC2)C1)C(=O)[O-] ZINC001602962853 1175461659 /nfs/dbraw/zinc/46/16/59/1175461659.db2.gz PKVNMCCNTKVKRT-LXJFZADGSA-N -1 1 269.341 1.287 20 0 CDADMM CC(=O)NC[C@H]1CCCCN1Cc1ccoc1C(=O)[O-] ZINC001603047194 1175481527 /nfs/dbraw/zinc/48/15/27/1175481527.db2.gz XVQOERIULNHFGJ-GFCCVEGCSA-N -1 1 280.324 1.468 20 0 CDADMM C[C@H](C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1)c1ccco1 ZINC001603146079 1175500838 /nfs/dbraw/zinc/50/08/38/1175500838.db2.gz MHHOROODJXYPOE-RYUDHWBXSA-N -1 1 294.351 1.391 20 0 CDADMM CC(C)(NC(=O)c1cccc(-c2nnn[n-]2)n1)C(F)F ZINC001603165286 1175507637 /nfs/dbraw/zinc/50/76/37/1175507637.db2.gz IJPKKMPZKMMJSC-UHFFFAOYSA-N -1 1 282.254 1.035 20 0 CDADMM CC(C)(NC(=O)c1cccc(-c2nn[n-]n2)n1)C(F)F ZINC001603165286 1175507644 /nfs/dbraw/zinc/50/76/44/1175507644.db2.gz IJPKKMPZKMMJSC-UHFFFAOYSA-N -1 1 282.254 1.035 20 0 CDADMM CC(C)C(C)(C)[S@@](=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC001603206906 1175514480 /nfs/dbraw/zinc/51/44/80/1175514480.db2.gz SJIHXJLAASSPIQ-FQEVSTJZSA-N -1 1 293.396 1.945 20 0 CDADMM CC(C)C(C)(C)[S@@](=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC001603206906 1175514486 /nfs/dbraw/zinc/51/44/86/1175514486.db2.gz SJIHXJLAASSPIQ-FQEVSTJZSA-N -1 1 293.396 1.945 20 0 CDADMM CC(C)CCCCC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001603279020 1175530070 /nfs/dbraw/zinc/53/00/70/1175530070.db2.gz BTLRVMBGOCFOKV-UHFFFAOYSA-N -1 1 277.332 1.502 20 0 CDADMM CC(C)CCn1ccc(Nc2cc(-c3nnn[n-]3)ncn2)n1 ZINC001603284922 1175532456 /nfs/dbraw/zinc/53/24/56/1175532456.db2.gz XSZINSPIKLVCNF-UHFFFAOYSA-N -1 1 299.342 1.643 20 0 CDADMM CC(C)CCn1ccc(Nc2cc(-c3nn[n-]n3)ncn2)n1 ZINC001603284922 1175532462 /nfs/dbraw/zinc/53/24/62/1175532462.db2.gz XSZINSPIKLVCNF-UHFFFAOYSA-N -1 1 299.342 1.643 20 0 CDADMM CC(C)N(C(=O)c1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001603315420 1175537990 /nfs/dbraw/zinc/53/79/90/1175537990.db2.gz GSXBDIHEJZEJOR-UHFFFAOYSA-N -1 1 272.312 1.275 20 0 CDADMM CC(C)N(C(=O)c1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001603315420 1175537996 /nfs/dbraw/zinc/53/79/96/1175537996.db2.gz GSXBDIHEJZEJOR-UHFFFAOYSA-N -1 1 272.312 1.275 20 0 CDADMM CC(C)(C)CCNC(=O)CN1CCC(CC(=O)[O-])CC1 ZINC001603333300 1175542814 /nfs/dbraw/zinc/54/28/14/1175542814.db2.gz KQZJKHMJRSEXJM-UHFFFAOYSA-N -1 1 284.400 1.726 20 0 CDADMM C[C@H](CO)[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001603566449 1175567068 /nfs/dbraw/zinc/56/70/68/1175567068.db2.gz MLAPMZSKNVIHMZ-UHNVWZDZSA-N -1 1 288.764 1.405 20 0 CDADMM C[C@H](CO)[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001603566449 1175567077 /nfs/dbraw/zinc/56/70/77/1175567077.db2.gz MLAPMZSKNVIHMZ-UHNVWZDZSA-N -1 1 288.764 1.405 20 0 CDADMM CC(C)[C@@H](C(=O)OCc1ccoc1C(=O)[O-])N(C)C ZINC001603713801 1175606553 /nfs/dbraw/zinc/60/65/53/1175606553.db2.gz IMUPDRFBYVJEMO-JTQLQIEISA-N -1 1 269.297 1.607 20 0 CDADMM CC(C)[C@@H]1CN(C)CCN1C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001603759397 1175619557 /nfs/dbraw/zinc/61/95/57/1175619557.db2.gz JVBOHRKDEIZFFW-OLZOCXBDSA-N -1 1 295.383 1.141 20 0 CDADMM CC1(C)CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)O1 ZINC001603775102 1175626324 /nfs/dbraw/zinc/62/63/24/1175626324.db2.gz VGZAUKSBDDRFKL-VIFPVBQESA-N -1 1 289.343 1.416 20 0 CDADMM CC1(C)CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)O1 ZINC001603775102 1175626331 /nfs/dbraw/zinc/62/63/31/1175626331.db2.gz VGZAUKSBDDRFKL-VIFPVBQESA-N -1 1 289.343 1.416 20 0 CDADMM CC1(C)CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)O1 ZINC001603772510 1175626992 /nfs/dbraw/zinc/62/69/92/1175626992.db2.gz POXQDLUYARWEPQ-MRVPVSSYSA-N -1 1 275.316 1.026 20 0 CDADMM CC1(C)CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)O1 ZINC001603772510 1175627000 /nfs/dbraw/zinc/62/70/00/1175627000.db2.gz POXQDLUYARWEPQ-MRVPVSSYSA-N -1 1 275.316 1.026 20 0 CDADMM CC1(CNc2cc(-c3nnn[n-]3)ncn2)CCCC1 ZINC001603806073 1175638372 /nfs/dbraw/zinc/63/83/72/1175638372.db2.gz FSXYSUIVZFCAHV-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM CC1(CNc2cc(-c3nn[n-]n3)ncn2)CCCC1 ZINC001603806073 1175638377 /nfs/dbraw/zinc/63/83/77/1175638377.db2.gz FSXYSUIVZFCAHV-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM CC1(c2noc(-c3cccc(-c4nnn[n-]4)n3)n2)CC1 ZINC001603821750 1175643980 /nfs/dbraw/zinc/64/39/80/1175643980.db2.gz PQXSTPPDYZKBQX-UHFFFAOYSA-N -1 1 269.268 1.363 20 0 CDADMM CC1(c2noc(-c3cccc(-c4nn[n-]n4)n3)n2)CC1 ZINC001603821750 1175643983 /nfs/dbraw/zinc/64/39/83/1175643983.db2.gz PQXSTPPDYZKBQX-UHFFFAOYSA-N -1 1 269.268 1.363 20 0 CDADMM C[C@H]1CC[C@@H](CNc2cccc(-c3nnn[n-]3)n2)O1 ZINC001603878332 1175666812 /nfs/dbraw/zinc/66/68/12/1175666812.db2.gz NLURGGBCTGUCGY-IUCAKERBSA-N -1 1 260.301 1.241 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COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)C2CCC2)o1 ZINC000157614618 342004983 /nfs/dbraw/zinc/00/49/83/342004983.db2.gz CMWVSDTWQODCRZ-MRVPVSSYSA-N -1 1 287.337 1.533 20 0 CDADMM O=C(C[C@H]1CCc2ccccc2C1)NCc1nn[n-]n1 ZINC000601471831 342565684 /nfs/dbraw/zinc/56/56/84/342565684.db2.gz YYEDUTNCTGFXNJ-JTQLQIEISA-N -1 1 271.324 1.011 20 0 CDADMM C[C@H](CN(C)C(=O)c1ccc2ncccc2c1)c1nn[n-]n1 ZINC000274232710 365598784 /nfs/dbraw/zinc/59/87/84/365598784.db2.gz SKBAOBXLQFZKDF-SNVBAGLBSA-N -1 1 296.334 1.624 20 0 CDADMM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000232793251 342032848 /nfs/dbraw/zinc/03/28/48/342032848.db2.gz BWDVXMNLOYIVBX-TUAOUCFPSA-N -1 1 280.368 1.040 20 0 CDADMM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCN2CCCC[C@H]2C1 ZINC000232793251 342032849 /nfs/dbraw/zinc/03/28/49/342032849.db2.gz BWDVXMNLOYIVBX-TUAOUCFPSA-N -1 1 280.368 1.040 20 0 CDADMM C[C@@H]1CN(C(=O)N=c2[n-]sc3ccccc32)CC[C@@H]1O ZINC000640338761 361785662 /nfs/dbraw/zinc/78/56/62/361785662.db2.gz 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CC(C)c1cc(C(=O)NCc2nn[n-]n2)c2ccccc2n1 ZINC000599377178 344030046 /nfs/dbraw/zinc/03/00/46/344030046.db2.gz LNMSYAWXEGSBJP-UHFFFAOYSA-N -1 1 296.334 1.801 20 0 CDADMM COc1ccc([C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cc1 ZINC000091552613 342405456 /nfs/dbraw/zinc/40/54/56/342405456.db2.gz KTGLXHLRJFESNA-NSHDSACASA-N -1 1 274.324 1.096 20 0 CDADMM CC[C@@H](C)c1ccc(NC(=O)Cc2nn[n-]n2)cc1 ZINC000095162573 342430562 /nfs/dbraw/zinc/43/05/62/342430562.db2.gz NJRZWVJMCRWUPE-SECBINFHSA-N -1 1 259.313 1.894 20 0 CDADMM CC(C)(NC(=O)Cc1ccc(Cl)cc1)c1nn[n-]n1 ZINC000095138020 342430613 /nfs/dbraw/zinc/43/06/13/342430613.db2.gz WSFGUIJSLDVSFL-UHFFFAOYSA-N -1 1 279.731 1.447 20 0 CDADMM Cc1cccc(C)c1-n1nnnc1SCc1nn[n-]n1 ZINC000095325871 342431623 /nfs/dbraw/zinc/43/16/23/342431623.db2.gz COECMPWSHSZMOT-UHFFFAOYSA-N -1 1 288.340 1.085 20 0 CDADMM CCOC(=O)CCNC(=O)c1ncc2ccccc2c1[O-] ZINC000596943212 343424019 /nfs/dbraw/zinc/42/40/19/343424019.db2.gz GDEPQAYYPFZFJZ-UHFFFAOYSA-N -1 1 288.303 1.623 20 0 CDADMM 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268.357 1.184 20 0 CDADMM C[C@@H]1C[C@@H]1N1C[C@@H](NCc2ccc(C(=O)[O-])o2)CC1=O ZINC000833605000 605112692 /nfs/dbraw/zinc/11/26/92/605112692.db2.gz LZNLWBIRSAWJMR-YWVKMMECSA-N -1 1 278.308 1.077 20 0 CDADMM CCN1C[C@@H](C)N(C(=O)CCCN(C)C(=O)[O-])C[C@@H]1C ZINC000833659113 605133823 /nfs/dbraw/zinc/13/38/23/605133823.db2.gz XPEIDRVIYCBUEE-NWDGAFQWSA-N -1 1 285.388 1.318 20 0 CDADMM C[C@@H]1CN(C(=O)[C@@H]2CC=CCC2)CCN1CCC(=O)[O-] ZINC000833618437 605255877 /nfs/dbraw/zinc/25/58/77/605255877.db2.gz OAGMJRRZRFSCKD-CHWSQXEVSA-N -1 1 280.368 1.350 20 0 CDADMM CC1=C(C(=O)[O-])C[C@@H](CN2C[C@H](C)OC(C)(C)C2)O1 ZINC000833584128 605325056 /nfs/dbraw/zinc/32/50/56/605325056.db2.gz OCCCSWFNBXIEOY-ONGXEEELSA-N -1 1 269.341 1.633 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CN2C[C@@H](C)O[C@@H](C)C2)O1 ZINC000833576699 605387803 /nfs/dbraw/zinc/38/78/03/605387803.db2.gz CRAOUQMLLZJMRA-WCABBAIRSA-N -1 1 255.314 1.243 20 0 CDADMM C[C@H]1CN(Cc2cccc(Br)n2)C[C@H]1C(=O)[O-] ZINC000833628818 605522061 /nfs/dbraw/zinc/52/20/61/605522061.db2.gz BLOGIZRMVDYSLT-WCBMZHEXSA-N -1 1 299.168 1.997 20 0 CDADMM O=C(OC[C@@H]1CCCS1)c1ccc(-c2nnn[n-]2)s1 ZINC000823396999 606181042 /nfs/dbraw/zinc/18/10/42/606181042.db2.gz QIBMRQCDPSOUER-ZETCQYMHSA-N -1 1 296.377 1.981 20 0 CDADMM O=C(OC[C@@H]1CCCS1)c1ccc(-c2nn[n-]n2)s1 ZINC000823396999 606181043 /nfs/dbraw/zinc/18/10/43/606181043.db2.gz QIBMRQCDPSOUER-ZETCQYMHSA-N -1 1 296.377 1.981 20 0 CDADMM Cc1nc([C@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)no1 ZINC000822437331 606215756 /nfs/dbraw/zinc/21/57/56/606215756.db2.gz ZIAPBRVJDFRLFT-SNVBAGLBSA-N -1 1 298.310 1.295 20 0 CDADMM Cc1nc([C@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)no1 ZINC000822437331 606215757 /nfs/dbraw/zinc/21/57/57/606215757.db2.gz ZIAPBRVJDFRLFT-SNVBAGLBSA-N -1 1 298.310 1.295 20 0 CDADMM C[C@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)C[C@H]1C ZINC000820766215 606418087 /nfs/dbraw/zinc/41/80/87/606418087.db2.gz ANJZXLKVSXVNNR-AOOOYVTPSA-N -1 1 295.350 1.902 20 0 CDADMM C[C@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)C[C@H]1C ZINC000820766215 606418088 /nfs/dbraw/zinc/41/80/88/606418088.db2.gz ANJZXLKVSXVNNR-AOOOYVTPSA-N -1 1 295.350 1.902 20 0 CDADMM Clc1ccc(NC2CCOCC2)nc1-c1nnn[n-]1 ZINC000822578740 606459849 /nfs/dbraw/zinc/45/98/49/606459849.db2.gz PCIVDQLLBLMYKE-UHFFFAOYSA-N -1 1 280.719 1.506 20 0 CDADMM Clc1ccc(NC2CCOCC2)nc1-c1nn[n-]n1 ZINC000822578740 606459851 /nfs/dbraw/zinc/45/98/51/606459851.db2.gz PCIVDQLLBLMYKE-UHFFFAOYSA-N -1 1 280.719 1.506 20 0 CDADMM CCN(CCCO)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821214157 606470976 /nfs/dbraw/zinc/47/09/76/606470976.db2.gz IJSCZUHLFSYRLW-UHFFFAOYSA-N -1 1 282.735 1.124 20 0 CDADMM CCN(CCCO)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821214157 606470978 /nfs/dbraw/zinc/47/09/78/606470978.db2.gz IJSCZUHLFSYRLW-UHFFFAOYSA-N -1 1 282.735 1.124 20 0 CDADMM CN(CC(F)(F)F)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821595521 606508569 /nfs/dbraw/zinc/50/85/69/606508569.db2.gz ZYURVMKNQJBNJH-UHFFFAOYSA-N -1 1 291.258 1.563 20 0 CDADMM CN(CC(F)(F)F)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821595521 606508570 /nfs/dbraw/zinc/50/85/70/606508570.db2.gz ZYURVMKNQJBNJH-UHFFFAOYSA-N -1 1 291.258 1.563 20 0 CDADMM CCC1(NC(=O)c2ccc(-c3nnn[n-]3)s2)CCC1 ZINC000820967902 606528946 /nfs/dbraw/zinc/52/89/46/606528946.db2.gz XZDGLRXBTQCEPQ-UHFFFAOYSA-N -1 1 277.353 1.991 20 0 CDADMM CCC1(NC(=O)c2ccc(-c3nn[n-]n3)s2)CCC1 ZINC000820967902 606528948 /nfs/dbraw/zinc/52/89/48/606528948.db2.gz XZDGLRXBTQCEPQ-UHFFFAOYSA-N -1 1 277.353 1.991 20 0 CDADMM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000820270242 606534003 /nfs/dbraw/zinc/53/40/03/606534003.db2.gz YJSQSYPIIJHTMI-SSDOTTSWSA-N -1 1 277.353 1.704 20 0 CDADMM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000820270242 606534005 /nfs/dbraw/zinc/53/40/05/606534005.db2.gz YJSQSYPIIJHTMI-SSDOTTSWSA-N -1 1 277.353 1.704 20 0 CDADMM CN(Cc1ccon1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821615867 606569789 /nfs/dbraw/zinc/56/97/89/606569789.db2.gz RXQYPUHSRCADOS-UHFFFAOYSA-N -1 1 290.308 1.188 20 0 CDADMM CN(Cc1ccon1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821615867 606569790 /nfs/dbraw/zinc/56/97/90/606569790.db2.gz RXQYPUHSRCADOS-UHFFFAOYSA-N -1 1 290.308 1.188 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1=CCCC1 ZINC000823289131 606970408 /nfs/dbraw/zinc/97/04/08/606970408.db2.gz CDQMGRNKQYKEJL-UHFFFAOYSA-N -1 1 271.280 1.621 20 0 CDADMM FC(F)(F)CC1CN(c2nccnc2-c2nnn[n-]2)C1 ZINC000822714231 607119630 /nfs/dbraw/zinc/11/96/30/607119630.db2.gz IUNPVGNJVPZJQH-UHFFFAOYSA-N -1 1 285.233 1.045 20 0 CDADMM FC(F)(F)CC1CN(c2nccnc2-c2nn[n-]n2)C1 ZINC000822714231 607119631 /nfs/dbraw/zinc/11/96/31/607119631.db2.gz IUNPVGNJVPZJQH-UHFFFAOYSA-N -1 1 285.233 1.045 20 0 CDADMM CC1(NC(=O)c2ccc(-c3nnn[n-]3)s2)CCOCC1 ZINC000824829694 607775786 /nfs/dbraw/zinc/77/57/86/607775786.db2.gz HBOQKMIOWAORIU-UHFFFAOYSA-N -1 1 293.352 1.227 20 0 CDADMM CC1(NC(=O)c2ccc(-c3nn[n-]n3)s2)CCOCC1 ZINC000824829694 607775787 /nfs/dbraw/zinc/77/57/87/607775787.db2.gz HBOQKMIOWAORIU-UHFFFAOYSA-N -1 1 293.352 1.227 20 0 CDADMM Cc1cnc(COc2cccc(F)c2-c2nnn[n-]2)cn1 ZINC000826318285 607865365 /nfs/dbraw/zinc/86/53/65/607865365.db2.gz BXWVSFJIUPOAAV-UHFFFAOYSA-N -1 1 286.270 1.683 20 0 CDADMM Cc1cnc(COc2cccc(F)c2-c2nn[n-]n2)cn1 ZINC000826318285 607865366 /nfs/dbraw/zinc/86/53/66/607865366.db2.gz BXWVSFJIUPOAAV-UHFFFAOYSA-N -1 1 286.270 1.683 20 0 CDADMM C[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)[C@@H]1C ZINC000095255217 607899319 /nfs/dbraw/zinc/89/93/19/607899319.db2.gz IULMCVHKFDPCGY-NXEZZACHSA-N -1 1 258.329 1.887 20 0 CDADMM C[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)[C@@H]1C ZINC000095255217 607899320 /nfs/dbraw/zinc/89/93/20/607899320.db2.gz IULMCVHKFDPCGY-NXEZZACHSA-N -1 1 258.329 1.887 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc[nH]1 ZINC000824515501 608026243 /nfs/dbraw/zinc/02/62/43/608026243.db2.gz SMNIRRVZCKLQPU-ZETCQYMHSA-N -1 1 288.336 1.747 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc[nH]1 ZINC000824515501 608026244 /nfs/dbraw/zinc/02/62/44/608026244.db2.gz SMNIRRVZCKLQPU-ZETCQYMHSA-N -1 1 288.336 1.747 20 0 CDADMM Clc1nsc(-n2ccnc2)c1-c1nnn[n-]1 ZINC000826353926 608170753 /nfs/dbraw/zinc/17/07/53/608170753.db2.gz JLYDJVUMSQMRAQ-UHFFFAOYSA-N -1 1 253.678 1.162 20 0 CDADMM Clc1nsc(-n2ccnc2)c1-c1nn[n-]n1 ZINC000826353926 608170754 /nfs/dbraw/zinc/17/07/54/608170754.db2.gz JLYDJVUMSQMRAQ-UHFFFAOYSA-N -1 1 253.678 1.162 20 0 CDADMM C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)C(C)(C)O ZINC000824669729 608180065 /nfs/dbraw/zinc/18/00/65/608180065.db2.gz HEKQIZFVMVQTHP-SCSAIBSYSA-N -1 1 288.764 1.548 20 0 CDADMM C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)C(C)(C)O ZINC000824669729 608180066 /nfs/dbraw/zinc/18/00/66/608180066.db2.gz HEKQIZFVMVQTHP-SCSAIBSYSA-N -1 1 288.764 1.548 20 0 CDADMM c1ccc2c(c1)CC[C@H](Nc1ccc(-c3nnn[n-]3)nn1)C2 ZINC000826523408 608390958 /nfs/dbraw/zinc/39/09/58/608390958.db2.gz LTMXXYNTNZACET-LBPRGKRZSA-N -1 1 293.334 1.626 20 0 CDADMM c1ccc2c(c1)CC[C@H](Nc1ccc(-c3nn[n-]n3)nn1)C2 ZINC000826523408 608390960 /nfs/dbraw/zinc/39/09/60/608390960.db2.gz LTMXXYNTNZACET-LBPRGKRZSA-N -1 1 293.334 1.626 20 0 CDADMM CCCN(CC(F)F)c1ccc(-c2nnn[n-]2)nn1 ZINC000825307893 608408080 /nfs/dbraw/zinc/40/80/80/608408080.db2.gz QNDBKFNHVAYRRO-UHFFFAOYSA-N -1 1 269.259 1.138 20 0 CDADMM CCCN(CC(F)F)c1ccc(-c2nn[n-]n2)nn1 ZINC000825307893 608408082 /nfs/dbraw/zinc/40/80/82/608408082.db2.gz QNDBKFNHVAYRRO-UHFFFAOYSA-N -1 1 269.259 1.138 20 0 CDADMM CCSCC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000825669264 608427606 /nfs/dbraw/zinc/42/76/06/608427606.db2.gz UBBOFOJDDCMZPA-VIFPVBQESA-N -1 1 293.400 1.625 20 0 CDADMM CCSCC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000825669264 608427608 /nfs/dbraw/zinc/42/76/08/608427608.db2.gz UBBOFOJDDCMZPA-VIFPVBQESA-N -1 1 293.400 1.625 20 0 CDADMM Fc1ccc2c(c1)CCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC000826376356 608560564 /nfs/dbraw/zinc/56/05/64/608560564.db2.gz ZSJFQZYMPXZNKM-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM Fc1ccc2c(c1)CCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC000826376356 608560566 /nfs/dbraw/zinc/56/05/66/608560566.db2.gz ZSJFQZYMPXZNKM-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM O=C(NCC[C@@H](O)C1CC1)c1ncc2ccccc2c1[O-] ZINC000890716296 617300998 /nfs/dbraw/zinc/30/09/98/617300998.db2.gz FVHLXGIRYPMYQU-CYBMUJFWSA-N -1 1 286.331 1.831 20 0 CDADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC=CC[C@H]2C)co1 ZINC000890768385 617325713 /nfs/dbraw/zinc/32/57/13/617325713.db2.gz HAKSBVZVEZKELS-MWLCHTKSSA-N -1 1 298.364 1.272 20 0 CDADMM O=C(N[C@@H]1COC[C@H]1C1CC1)c1ccc([O-])c(F)c1 ZINC000891051572 617356892 /nfs/dbraw/zinc/35/68/92/617356892.db2.gz VPYDDZMLYHHZAY-CMPLNLGQSA-N -1 1 265.284 1.686 20 0 CDADMM O=C([N-]OCCOc1ccccc1)[C@H]1CCCOC1 ZINC000889448301 617359259 /nfs/dbraw/zinc/35/92/59/617359259.db2.gz YQGJSHWISRANDV-LBPRGKRZSA-N -1 1 265.309 1.540 20 0 CDADMM O=C(NCCOC1CCSCC1)c1cncc([O-])c1 ZINC000891226585 617387024 /nfs/dbraw/zinc/38/70/24/617387024.db2.gz LTSCWLOGFSOPGJ-UHFFFAOYSA-N -1 1 282.365 1.429 20 0 CDADMM COCc1nc(N(C)CCc2ccncc2)cc(=O)[n-]1 ZINC000892083820 617471790 /nfs/dbraw/zinc/47/17/90/617471790.db2.gz KLZAKLSZSMLXNZ-UHFFFAOYSA-N -1 1 274.324 1.403 20 0 CDADMM COC[C@H](C)[C@H](C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891613022 617504409 /nfs/dbraw/zinc/50/44/09/617504409.db2.gz DATFWMDPYVUFSS-UWVGGRQHSA-N -1 1 293.367 1.918 20 0 CDADMM O=C(C=C[C@@H]1CCOC1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891615867 617505296 /nfs/dbraw/zinc/50/52/96/617505296.db2.gz VYAVNWUQJHCDKP-WWQCOOJYSA-N -1 1 289.335 1.592 20 0 CDADMM COC[C@H](C)CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891621101 617508996 /nfs/dbraw/zinc/50/89/96/617508996.db2.gz FTBNXBULTBLSNY-SECBINFHSA-N -1 1 279.340 1.672 20 0 CDADMM CCCOCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891623126 617509480 /nfs/dbraw/zinc/50/94/80/617509480.db2.gz HHWIDWGYKRQIFF-UHFFFAOYSA-N -1 1 265.313 1.426 20 0 CDADMM CC[C@H]1CC[C@H](C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)O1 ZINC000891622028 617510100 /nfs/dbraw/zinc/51/01/00/617510100.db2.gz MHJSPBIGSPROBH-JOYOIKCWSA-N -1 1 291.351 1.957 20 0 CDADMM COCc1nc(NC[C@@H](O)CC(C)(C)C)cc(=O)[n-]1 ZINC000892580685 617518225 /nfs/dbraw/zinc/51/82/25/617518225.db2.gz NJDZFFTWXISOPW-VIFPVBQESA-N -1 1 269.345 1.538 20 0 CDADMM C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1cccc(F)c1[O-] ZINC000935191100 618054979 /nfs/dbraw/zinc/05/49/79/618054979.db2.gz FSKXSEAXXWZYMB-VHSXEESVSA-N -1 1 266.316 1.696 20 0 CDADMM COCc1nc(N2C[C@H](C)O[C@@H](C3CC3)C2)cc(=O)[n-]1 ZINC000893595178 617637245 /nfs/dbraw/zinc/63/72/45/617637245.db2.gz UPALRIJKRAZNND-GXSJLCMTSA-N -1 1 279.340 1.332 20 0 CDADMM C[N@@H+](CC(=O)Nc1cccc(CC(=O)[O-])c1)C1CCC1 ZINC000909331754 617720461 /nfs/dbraw/zinc/72/04/61/617720461.db2.gz GVUSRNQSNYDBBG-UHFFFAOYSA-N -1 1 276.336 1.737 20 0 CDADMM CN(CC(=O)Nc1cccc(CC(=O)[O-])c1)C1CCC1 ZINC000909331754 617720469 /nfs/dbraw/zinc/72/04/69/617720469.db2.gz GVUSRNQSNYDBBG-UHFFFAOYSA-N -1 1 276.336 1.737 20 0 CDADMM CC[S@](C)(=O)=NC([O-])=C1C[C@@H](c2ccccc2)OC1=O ZINC000925820855 617786152 /nfs/dbraw/zinc/78/61/52/617786152.db2.gz MWBYPVVYHTVSEH-JGRMJRGVSA-N -1 1 295.360 1.935 20 0 CDADMM C[C@H]1CCc2n[nH]c(C(=O)[N-]S(=O)(=O)C3(C)CC3)c2C1 ZINC000893005951 618047481 /nfs/dbraw/zinc/04/74/81/618047481.db2.gz YMBDGAWJTAUWMW-QMMMGPOBSA-N -1 1 297.380 1.147 20 0 CDADMM Cc1ccoc1CN[C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000901830684 618279290 /nfs/dbraw/zinc/27/92/90/618279290.db2.gz DMJBETRCQHMKJK-JQWIXIFHSA-N -1 1 253.298 1.557 20 0 CDADMM Cc1cc([C@H](NCc2ccnn2C)C(=O)[O-])ccc1F ZINC000901841552 618293661 /nfs/dbraw/zinc/29/36/61/618293661.db2.gz FWGQPFSBCQHREB-ZDUSSCGKSA-N -1 1 277.299 1.783 20 0 CDADMM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc2[nH]cnc2cc1F ZINC000902107024 618565462 /nfs/dbraw/zinc/56/54/62/618565462.db2.gz MDGGRHWXCGWHJV-AWEZNQCLSA-N -1 1 291.282 1.781 20 0 CDADMM N#CN(Cc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826382595 618591435 /nfs/dbraw/zinc/59/14/35/618591435.db2.gz LXFVTZHWTAFLJM-UHFFFAOYSA-N -1 1 277.291 1.749 20 0 CDADMM N#CN(Cc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826382595 618591442 /nfs/dbraw/zinc/59/14/42/618591442.db2.gz LXFVTZHWTAFLJM-UHFFFAOYSA-N -1 1 277.291 1.749 20 0 CDADMM OCCCc1cccc(Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826509795 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Cc1ccc(N[C@H]2CS[C@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001605871446 1163700219 /nfs/dbraw/zinc/70/02/19/1163700219.db2.gz DCEUTPAEOXXVIV-RKDXNWHRSA-N -1 1 276.369 1.876 20 0 CDADMM Cc1ccc(NC[C@H]2CCC[C@@H](O)C2)nc1-c1nnn[n-]1 ZINC001605875061 1163702353 /nfs/dbraw/zinc/70/23/53/1163702353.db2.gz XAQUTQYWVMVENC-WDEREUQCSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(NC[C@H]2CCC[C@@H](O)C2)nc1-c1nn[n-]n1 ZINC001605875061 1163702360 /nfs/dbraw/zinc/70/23/60/1163702360.db2.gz XAQUTQYWVMVENC-WDEREUQCSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1cccc(CN(C)c2cc(-c3nnn[n-]3)ncn2)c1C ZINC001605913748 1163713618 /nfs/dbraw/zinc/71/36/18/1163713618.db2.gz XHYAFWHYDFVBPB-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1cccc(CN(C)c2cc(-c3nn[n-]n3)ncn2)c1C ZINC001605913748 1163713627 /nfs/dbraw/zinc/71/36/27/1163713627.db2.gz XHYAFWHYDFVBPB-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(Cc2cccc(C)n2)c1C ZINC001605918150 1163713870 /nfs/dbraw/zinc/71/38/70/1163713870.db2.gz DBVMAZDMTOTTBM-UHFFFAOYSA-N -1 1 269.312 1.432 20 0 CDADMM Cc1ccn(C[C@@H]2C[C@H]3C=C[C@@H]2C3)c(=O)c1-c1nn[n-]n1 ZINC001605948506 1163723889 /nfs/dbraw/zinc/72/38/89/1163723889.db2.gz AACPHGWJCKKHII-TUAOUCFPSA-N -1 1 283.335 1.549 20 0 CDADMM Cc1ccn(CC2CCC(=O)CC2)c(=O)c1-c1nn[n-]n1 ZINC001605949982 1163724137 /nfs/dbraw/zinc/72/41/37/1163724137.db2.gz VJGVMANIXJYFRE-UHFFFAOYSA-N -1 1 287.323 1.096 20 0 CDADMM Cc1ccn(C)c1C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001605948682 1163724553 /nfs/dbraw/zinc/72/45/53/1163724553.db2.gz SEZAHJTXRBIFQY-UHFFFAOYSA-N -1 1 298.306 1.266 20 0 CDADMM Cc1ccn(C)c1C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001605948682 1163724561 /nfs/dbraw/zinc/72/45/61/1163724561.db2.gz SEZAHJTXRBIFQY-UHFFFAOYSA-N -1 1 298.306 1.266 20 0 CDADMM Cc1cnc(C)c(NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001605976045 1163732808 /nfs/dbraw/zinc/73/28/08/1163732808.db2.gz PDCLSQXHMZPMOL-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Cc1cnc(C)c(NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001605976045 1163732815 /nfs/dbraw/zinc/73/28/15/1163732815.db2.gz PDCLSQXHMZPMOL-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Cc1cnc(SCc2ccc(-c3nnn[n-]3)o2)nc1 ZINC001605980677 1163734421 /nfs/dbraw/zinc/73/44/21/1163734421.db2.gz OLLUKIUUBOTUOI-UHFFFAOYSA-N -1 1 274.309 1.850 20 0 CDADMM Cc1cnc(SCc2ccc(-c3nn[n-]n3)o2)nc1 ZINC001605980677 1163734429 /nfs/dbraw/zinc/73/44/29/1163734429.db2.gz OLLUKIUUBOTUOI-UHFFFAOYSA-N -1 1 274.309 1.850 20 0 CDADMM Cc1n[nH]c(C)c1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001606009742 1163742870 /nfs/dbraw/zinc/74/28/70/1163742870.db2.gz PELHMBITUNUYAP-UHFFFAOYSA-N -1 1 287.283 1.360 20 0 CDADMM Cc1n[nH]c(C)c1NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001606009742 1163742874 /nfs/dbraw/zinc/74/28/74/1163742874.db2.gz PELHMBITUNUYAP-UHFFFAOYSA-N -1 1 287.283 1.360 20 0 CDADMM CN(C)C1CN(C(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)C1 ZINC001606016380 1163743350 /nfs/dbraw/zinc/74/33/50/1163743350.db2.gz KBETUNCCQRAXKX-BBRMVZONSA-N -1 1 288.347 1.017 20 0 CDADMM Cc1nc(NCCC2(C)CC2)cc(-c2nnn[n-]2)n1 ZINC001606071026 1163762454 /nfs/dbraw/zinc/76/24/54/1163762454.db2.gz DQABLRDTWOVXSH-UHFFFAOYSA-N -1 1 259.317 1.567 20 0 CDADMM Cc1nc(NCCC2(C)CC2)cc(-c2nn[n-]n2)n1 ZINC001606071026 1163762462 /nfs/dbraw/zinc/76/24/62/1163762462.db2.gz DQABLRDTWOVXSH-UHFFFAOYSA-N -1 1 259.317 1.567 20 0 CDADMM Cc1ncccc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001606097171 1163771724 /nfs/dbraw/zinc/77/17/24/1163771724.db2.gz JDEZGDDZEHCIEZ-UHFFFAOYSA-N -1 1 295.306 1.146 20 0 CDADMM Cc1ncccc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001606097171 1163771729 /nfs/dbraw/zinc/77/17/29/1163771729.db2.gz JDEZGDDZEHCIEZ-UHFFFAOYSA-N -1 1 295.306 1.146 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1[C@H](C)C[C@@H]1C ZINC001606166109 1163794510 /nfs/dbraw/zinc/79/45/10/1163794510.db2.gz NXTKATZTVDHUNP-KNVOCYPGSA-N -1 1 261.285 1.391 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1[C@H](C)C[C@@H]1C ZINC001606166109 1163794516 /nfs/dbraw/zinc/79/45/16/1163794516.db2.gz NXTKATZTVDHUNP-KNVOCYPGSA-N -1 1 261.285 1.391 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cc(Cl)[nH]n1 ZINC001606168589 1163797306 /nfs/dbraw/zinc/79/73/06/1163797306.db2.gz JUONVZPOQNRNLC-UHFFFAOYSA-N -1 1 293.674 1.397 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cc(Cl)[nH]n1 ZINC001606168589 1163797313 /nfs/dbraw/zinc/79/73/13/1163797313.db2.gz JUONVZPOQNRNLC-UHFFFAOYSA-N -1 1 293.674 1.397 20 0 CDADMM Clc1ccc(N2CC3(CC3)C2)nc1-c1nnn[n-]1 ZINC001606191567 1163802206 /nfs/dbraw/zinc/80/22/06/1163802206.db2.gz OVSBGUGIWWODNS-UHFFFAOYSA-N -1 1 262.704 1.515 20 0 CDADMM Clc1ccc(N2CC3(CC3)C2)nc1-c1nn[n-]n1 ZINC001606191567 1163802212 /nfs/dbraw/zinc/80/22/12/1163802212.db2.gz OVSBGUGIWWODNS-UHFFFAOYSA-N -1 1 262.704 1.515 20 0 CDADMM Cn1cc(CSc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC001606242054 1163828215 /nfs/dbraw/zinc/82/82/15/1163828215.db2.gz HPJJXZMGCNERPI-UHFFFAOYSA-N -1 1 273.325 1.288 20 0 CDADMM Cn1cc(CSc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC001606242054 1163828219 /nfs/dbraw/zinc/82/82/19/1163828219.db2.gz HPJJXZMGCNERPI-UHFFFAOYSA-N -1 1 273.325 1.288 20 0 CDADMM CN[C@@H](C)c1cn([C@@H](C)c2ccc(C(=O)[O-])o2)nn1 ZINC001606294439 1163839225 /nfs/dbraw/zinc/83/92/25/1163839225.db2.gz CAWSQWCMTHUMND-YUMQZZPRSA-N -1 1 264.285 1.459 20 0 CDADMM F[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001606299699 1163843542 /nfs/dbraw/zinc/84/35/42/1163843542.db2.gz JKOSNUPHQQMFEQ-MRVPVSSYSA-N -1 1 251.265 1.394 20 0 CDADMM O=C(N[C@H]1CC12CCC2)c1ccc(-c2nnn[n-]2)o1 ZINC001606653942 1163946891 /nfs/dbraw/zinc/94/68/91/1163946891.db2.gz VORBATDRITWRKD-VIFPVBQESA-N -1 1 259.269 1.132 20 0 CDADMM O=C(N[C@H]1CC12CCC2)c1ccc(-c2nn[n-]n2)o1 ZINC001606653942 1163946897 /nfs/dbraw/zinc/94/68/97/1163946897.db2.gz VORBATDRITWRKD-VIFPVBQESA-N -1 1 259.269 1.132 20 0 CDADMM O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1coc(-c2nnn[n-]2)c1 ZINC001606654958 1163947401 /nfs/dbraw/zinc/94/74/01/1163947401.db2.gz UQNILAWWWUPFOD-VXGBXAGGSA-N -1 1 295.302 1.746 20 0 CDADMM O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1coc(-c2nn[n-]n2)c1 ZINC001606654958 1163947409 /nfs/dbraw/zinc/94/74/09/1163947409.db2.gz UQNILAWWWUPFOD-VXGBXAGGSA-N -1 1 295.302 1.746 20 0 CDADMM O=C(OC[C@]12C[C@H]1CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001606964860 1164041895 /nfs/dbraw/zinc/04/18/95/1164041895.db2.gz BQKLMIYVWSIWJP-ABAIWWIYSA-N -1 1 299.334 1.999 20 0 CDADMM O=C(OC[C@]12C[C@H]1CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001606964860 1164041900 /nfs/dbraw/zinc/04/19/00/1164041900.db2.gz BQKLMIYVWSIWJP-ABAIWWIYSA-N -1 1 299.334 1.999 20 0 CDADMM O=Cc1cnc(NCc2ccc(-c3nn[n-]n3)s2)nc1 ZINC001607057683 1164069133 /nfs/dbraw/zinc/06/91/33/1164069133.db2.gz JQBMLXAPJRNLGC-UHFFFAOYSA-N -1 1 287.308 1.143 20 0 CDADMM O=c1c(-c2nn[n-]n2)c2c(cn1CCC1CCC1)CCC2 ZINC001607088992 1164073115 /nfs/dbraw/zinc/07/31/15/1164073115.db2.gz DHDODZZMAPOZLZ-UHFFFAOYSA-N -1 1 285.351 1.707 20 0 CDADMM OCC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001607105537 1164087305 /nfs/dbraw/zinc/08/73/05/1164087305.db2.gz FPRCWCDCLFYTDU-JTQLQIEISA-N -1 1 289.343 1.010 20 0 CDADMM OCC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001607105537 1164087311 /nfs/dbraw/zinc/08/73/11/1164087311.db2.gz FPRCWCDCLFYTDU-JTQLQIEISA-N -1 1 289.343 1.010 20 0 CDADMM OCCC1(Nc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001607106557 1164088069 /nfs/dbraw/zinc/08/80/69/1164088069.db2.gz XSOJQLXZMTVLOP-UHFFFAOYSA-N -1 1 286.748 1.304 20 0 CDADMM OCCC1(Nc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001607106557 1164088078 /nfs/dbraw/zinc/08/80/78/1164088078.db2.gz XSOJQLXZMTVLOP-UHFFFAOYSA-N -1 1 286.748 1.304 20 0 CDADMM c1cc([C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)ccn1 ZINC001607118300 1164099871 /nfs/dbraw/zinc/09/98/71/1164099871.db2.gz YIHSUBGGOOGBLK-LBPRGKRZSA-N -1 1 294.322 1.393 20 0 CDADMM c1cc([C@@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)ccn1 ZINC001607118300 1164099875 /nfs/dbraw/zinc/09/98/75/1164099875.db2.gz YIHSUBGGOOGBLK-LBPRGKRZSA-N -1 1 294.322 1.393 20 0 CDADMM c1nn2c(c1Nc1cccc(-c3nnn[n-]3)n1)CCCC2 ZINC001607122326 1164105757 /nfs/dbraw/zinc/10/57/57/1164105757.db2.gz XYQPNZMRSFFFSS-UHFFFAOYSA-N -1 1 282.311 1.538 20 0 CDADMM c1nn2c(c1Nc1cccc(-c3nn[n-]n3)n1)CCCC2 ZINC001607122326 1164105759 /nfs/dbraw/zinc/10/57/59/1164105759.db2.gz XYQPNZMRSFFFSS-UHFFFAOYSA-N -1 1 282.311 1.538 20 0 CDADMM c1cc2c(c(Oc3ccnc(-c4nn[n-]n4)n3)c1)OCC2 ZINC001607124154 1164108793 /nfs/dbraw/zinc/10/87/93/1164108793.db2.gz XFLDMUWGLOMWTI-UHFFFAOYSA-N -1 1 282.263 1.384 20 0 CDADMM c1ccc2c(c1)OC[C@@H]2CNc1cc(-c2nnn[n-]2)ncn1 ZINC001607131682 1164109366 /nfs/dbraw/zinc/10/93/66/1164109366.db2.gz HXWKYWBJFKWOFE-VIFPVBQESA-N -1 1 295.306 1.245 20 0 CDADMM c1ccc2c(c1)OC[C@@H]2CNc1cc(-c2nn[n-]n2)ncn1 ZINC001607131682 1164109373 /nfs/dbraw/zinc/10/93/73/1164109373.db2.gz HXWKYWBJFKWOFE-VIFPVBQESA-N -1 1 295.306 1.245 20 0 CDADMM c1ccc(CSc2ncncc2-c2nnn[n-]2)nc1 ZINC001607130093 1164110500 /nfs/dbraw/zinc/11/05/00/1164110500.db2.gz BYDYKZDKEHGNPI-UHFFFAOYSA-N -1 1 271.309 1.344 20 0 CDADMM c1ccc(CSc2ncncc2-c2nn[n-]n2)nc1 ZINC001607130093 1164110506 /nfs/dbraw/zinc/11/05/06/1164110506.db2.gz BYDYKZDKEHGNPI-UHFFFAOYSA-N -1 1 271.309 1.344 20 0 CDADMM c1ccc2c(c1)CC[C@@H]2CNc1ccnc(-c2nn[n-]n2)n1 ZINC001607132563 1164110708 /nfs/dbraw/zinc/11/07/08/1164110708.db2.gz MZYZBEUOMKCHDC-LLVKDONJSA-N -1 1 293.334 1.221 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NC1CCC2(COC2)CC1 ZINC001607139156 1164120667 /nfs/dbraw/zinc/12/06/67/1164120667.db2.gz WZAADYLGFZVHCV-UHFFFAOYSA-N -1 1 287.327 1.028 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NC1CCC2(COC2)CC1 ZINC001607139156 1164120670 /nfs/dbraw/zinc/12/06/70/1164120670.db2.gz WZAADYLGFZVHCV-UHFFFAOYSA-N -1 1 287.327 1.028 20 0 CDADMM COc1ccccc1C(C)(C)C(=O)NOCCCC(=O)[O-] ZINC001607337216 1164151344 /nfs/dbraw/zinc/15/13/44/1164151344.db2.gz ZINKUGJQIQDNNW-UHFFFAOYSA-N -1 1 295.335 1.885 20 0 CDADMM C[C@H]1CN(CC[S@@](=O)C(F)(F)F)CC[C@H]1C(=O)[O-] ZINC001607477501 1164197318 /nfs/dbraw/zinc/19/73/18/1164197318.db2.gz DWFYBMZIBPKVOC-PTJHWVCESA-N -1 1 287.303 1.298 20 0 CDADMM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCc1nn[nH]n1 ZINC001607616317 1164242005 /nfs/dbraw/zinc/24/20/05/1164242005.db2.gz CGIXOIDBOXTDPL-UHFFFAOYSA-N -1 1 289.295 1.086 20 0 CDADMM Cc1ccc([C@H](O)[C@H](C)NCc2cc(C(=O)[O-])no2)cc1 ZINC001607759683 1164286666 /nfs/dbraw/zinc/28/66/66/1164286666.db2.gz DADIVNOWCHSGRZ-IINYFYTJSA-N -1 1 290.319 1.893 20 0 CDADMM Cc1ccc(NC(=O)Nc2c[nH]nn2)cc1C(=O)[O-] ZINC001607804836 1164303037 /nfs/dbraw/zinc/30/30/37/1164303037.db2.gz PHCBXFBQHJCWDG-UHFFFAOYSA-N -1 1 261.241 1.455 20 0 CDADMM Cc1cnn([C@@H]2CCN(Cc3cc(C)c(C(=O)[O-])[nH]3)C2)c1 ZINC001607917282 1164337689 /nfs/dbraw/zinc/33/76/89/1164337689.db2.gz XOQUKRNNBNLNGM-CYBMUJFWSA-N -1 1 288.351 1.973 20 0 CDADMM Cc1nc(CC(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])n[nH]1 ZINC001607937551 1164344713 /nfs/dbraw/zinc/34/47/13/1164344713.db2.gz ZLVJQOWLBSGCAI-LLVKDONJSA-N -1 1 294.355 1.053 20 0 CDADMM Cc1oc(C(=O)[O-])cc1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC001608036414 1164389705 /nfs/dbraw/zinc/38/97/05/1164389705.db2.gz SFAQTYKARCVXSM-MRVPVSSYSA-N -1 1 289.291 1.297 20 0 CDADMM Cn1cc(CN2CCC(F)(F)[C@H](CO)C2)cc1C(=O)[O-] ZINC001608112676 1164413572 /nfs/dbraw/zinc/41/35/72/1164413572.db2.gz OQLNRBLEMLVLCL-JTQLQIEISA-N -1 1 288.294 1.173 20 0 CDADMM Cn1[nH]c(=O)c2c1CN(Cc1ccc(C(=O)[O-])cc1)CC2 ZINC001608151619 1164426773 /nfs/dbraw/zinc/42/67/73/1164426773.db2.gz QHOQHORPNBDQMA-UHFFFAOYSA-N -1 1 287.319 1.382 20 0 CDADMM O=C([O-])[C@H](O)C1CCN(Cc2n[nH]c3ccccc32)CC1 ZINC001608556736 1164544298 /nfs/dbraw/zinc/54/42/98/1164544298.db2.gz FJAPEVUCAASZPY-CQSZACIVSA-N -1 1 289.335 1.220 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1ccc2cnccc2c1 ZINC001608606166 1164571200 /nfs/dbraw/zinc/57/12/00/1164571200.db2.gz GIAVLWPTXJHYIW-KGLIPLIRSA-N -1 1 272.304 1.255 20 0 CDADMM O=C([O-])CNC(=O)[C@@H]1CCCN1CCc1ccc(F)cc1 ZINC001608751466 1164629355 /nfs/dbraw/zinc/62/93/55/1164629355.db2.gz QBLVJNPIVHFFGX-ZDUSSCGKSA-N -1 1 294.326 1.033 20 0 CDADMM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)c1[nH]nc2c1CCC2 ZINC001608771587 1164633795 /nfs/dbraw/zinc/63/37/95/1164633795.db2.gz BVNNPUHQNRYKHA-WCBMZHEXSA-N -1 1 277.324 1.272 20 0 CDADMM O=C([O-])Cc1cccc(S(=O)(=O)Nc2ccccn2)c1 ZINC001608787801 1164637069 /nfs/dbraw/zinc/63/70/69/1164637069.db2.gz LSCDANJNBRVRAJ-UHFFFAOYSA-N -1 1 292.316 1.510 20 0 CDADMM O=C([O-])c1cccc(Cl)c1CN1CCC(O)(CO)CC1 ZINC001608933399 1164689043 /nfs/dbraw/zinc/68/90/43/1164689043.db2.gz IFXKACORBCGXFD-UHFFFAOYSA-N -1 1 299.754 1.357 20 0 CDADMM CC(C)OCCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001609101558 1164770831 /nfs/dbraw/zinc/77/08/31/1164770831.db2.gz YCFVHFLMZAPOCC-UHFFFAOYSA-N -1 1 277.332 1.274 20 0 CDADMM CC(C)OCCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001609101558 1164770838 /nfs/dbraw/zinc/77/08/38/1164770838.db2.gz YCFVHFLMZAPOCC-UHFFFAOYSA-N -1 1 277.332 1.274 20 0 CDADMM C[C@@H]1[C@H](C(F)(F)F)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001609152683 1164799722 /nfs/dbraw/zinc/79/97/22/1164799722.db2.gz IUDPNKMYHPLPMD-RNFRBKRXSA-N -1 1 299.260 1.434 20 0 CDADMM C[C@@H]1[C@H](C(F)(F)F)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001609152683 1164799729 /nfs/dbraw/zinc/79/97/29/1164799729.db2.gz IUDPNKMYHPLPMD-RNFRBKRXSA-N -1 1 299.260 1.434 20 0 CDADMM CC[C@H]1CCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609200650 1164839721 /nfs/dbraw/zinc/83/97/21/1164839721.db2.gz BOFLMASJQFUKLJ-VIFPVBQESA-N -1 1 259.317 1.344 20 0 CDADMM CC[C@H]1CCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609200650 1164839726 /nfs/dbraw/zinc/83/97/26/1164839726.db2.gz BOFLMASJQFUKLJ-VIFPVBQESA-N -1 1 259.317 1.344 20 0 CDADMM CCC1(NC(=O)c2ccc(-c3nnn[n-]3)o2)CCC1 ZINC001609198071 1164839782 /nfs/dbraw/zinc/83/97/82/1164839782.db2.gz IXKYWGRZURDEBU-UHFFFAOYSA-N -1 1 261.285 1.522 20 0 CDADMM CCC1(NC(=O)c2ccc(-c3nn[n-]n3)o2)CCC1 ZINC001609198071 1164839787 /nfs/dbraw/zinc/83/97/87/1164839787.db2.gz IXKYWGRZURDEBU-UHFFFAOYSA-N -1 1 261.285 1.522 20 0 CDADMM CCN(Cc1occc1C)c1cc(-c2nnn[n-]2)ncn1 ZINC001609226960 1164859544 /nfs/dbraw/zinc/85/95/44/1164859544.db2.gz WJSVSWHUDDKYQE-UHFFFAOYSA-N -1 1 285.311 1.585 20 0 CDADMM CCN(Cc1occc1C)c1cc(-c2nn[n-]n2)ncn1 ZINC001609226960 1164859549 /nfs/dbraw/zinc/85/95/49/1164859549.db2.gz WJSVSWHUDDKYQE-UHFFFAOYSA-N -1 1 285.311 1.585 20 0 CDADMM CC[C@@H]1C[C@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609249468 1164864541 /nfs/dbraw/zinc/86/45/41/1164864541.db2.gz UTNRBFKHJQJYLZ-HTRCEHHLSA-N -1 1 263.326 1.457 20 0 CDADMM CCn1cc(CCOc2cccnc2-c2nnn[n-]2)cn1 ZINC001609259033 1164866081 /nfs/dbraw/zinc/86/60/81/1164866081.db2.gz OYSIEPSTDUQJCP-UHFFFAOYSA-N -1 1 285.311 1.100 20 0 CDADMM CCn1cc(CCOc2cccnc2-c2nn[n-]n2)cn1 ZINC001609259033 1164866088 /nfs/dbraw/zinc/86/60/88/1164866088.db2.gz OYSIEPSTDUQJCP-UHFFFAOYSA-N -1 1 285.311 1.100 20 0 CDADMM Cc1cccc(C)c1OCCn1cnc(-c2nn[n-]n2)n1 ZINC001609431029 1164941806 /nfs/dbraw/zinc/94/18/06/1164941806.db2.gz LMIYLIUQMBETDY-UHFFFAOYSA-N -1 1 285.311 1.154 20 0 CDADMM Cc1cccc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001609433313 1164945184 /nfs/dbraw/zinc/94/51/84/1164945184.db2.gz WQMKDGALAVSQOU-UHFFFAOYSA-N -1 1 280.291 1.822 20 0 CDADMM Cc1cccc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001609433313 1164945190 /nfs/dbraw/zinc/94/51/90/1164945190.db2.gz WQMKDGALAVSQOU-UHFFFAOYSA-N -1 1 280.291 1.822 20 0 CDADMM Cc1ccncc1CN(C)c1ccc(C)c(-c2nnn[n-]2)n1 ZINC001609439281 1164947342 /nfs/dbraw/zinc/94/73/42/1164947342.db2.gz WIKWZYOEOQDJFM-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccncc1CN(C)c1ccc(C)c(-c2nn[n-]n2)n1 ZINC001609439281 1164947345 /nfs/dbraw/zinc/94/73/45/1164947345.db2.gz WIKWZYOEOQDJFM-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1nsc(N[C@H]2CC(C)(C)OC2=O)c1-c1nnn[n-]1 ZINC001609466040 1164962732 /nfs/dbraw/zinc/96/27/32/1164962732.db2.gz ZWTLWJOQDWBRHN-LURJTMIESA-N -1 1 294.340 1.138 20 0 CDADMM Cc1nsc(N[C@H]2CC(C)(C)OC2=O)c1-c1nn[n-]n1 ZINC001609466040 1164962740 /nfs/dbraw/zinc/96/27/40/1164962740.db2.gz ZWTLWJOQDWBRHN-LURJTMIESA-N -1 1 294.340 1.138 20 0 CDADMM Clc1nsc(NCc2cccnn2)c1-c1nnn[n-]1 ZINC001609474767 1164967437 /nfs/dbraw/zinc/96/74/37/1164967437.db2.gz ROJZOWANDXFLOD-UHFFFAOYSA-N -1 1 294.731 1.379 20 0 CDADMM Clc1nsc(NCc2cccnn2)c1-c1nn[n-]n1 ZINC001609474767 1164967443 /nfs/dbraw/zinc/96/74/43/1164967443.db2.gz ROJZOWANDXFLOD-UHFFFAOYSA-N -1 1 294.731 1.379 20 0 CDADMM CC(=O)N(C)C1CCN(Cc2cc(C(=O)[O-])c(C)o2)CC1 ZINC001609573285 1164992379 /nfs/dbraw/zinc/99/23/79/1164992379.db2.gz QBIXYUNRLOJUEV-UHFFFAOYSA-N -1 1 294.351 1.729 20 0 CDADMM Oc1ccccc1CCNc1ccnc(-c2nnn[n-]2)c1 ZINC001609611868 1165007887 /nfs/dbraw/zinc/00/78/87/1165007887.db2.gz UEAWOBBMKOXFFJ-UHFFFAOYSA-N -1 1 282.307 1.622 20 0 CDADMM Oc1ccccc1CCNc1ccnc(-c2nn[n-]n2)c1 ZINC001609611868 1165007889 /nfs/dbraw/zinc/00/78/89/1165007889.db2.gz UEAWOBBMKOXFFJ-UHFFFAOYSA-N -1 1 282.307 1.622 20 0 CDADMM c1ccc([C@@H]2CCN(c3ccnc(-c4nnn[n-]4)c3)C2)nc1 ZINC001609616722 1165011482 /nfs/dbraw/zinc/01/14/82/1165011482.db2.gz AZUSZKYYBDALRL-LLVKDONJSA-N -1 1 293.334 1.651 20 0 CDADMM c1ccc([C@@H]2CCN(c3ccnc(-c4nn[n-]n4)c3)C2)nc1 ZINC001609616722 1165011491 /nfs/dbraw/zinc/01/14/91/1165011491.db2.gz AZUSZKYYBDALRL-LLVKDONJSA-N -1 1 293.334 1.651 20 0 CDADMM c1nc(N2CC(C3CCCC3)C2)cnc1-c1nnn[n-]1 ZINC001609620864 1165016528 /nfs/dbraw/zinc/01/65/28/1165016528.db2.gz HHJPEJRCHQMWIF-UHFFFAOYSA-N -1 1 271.328 1.283 20 0 CDADMM c1nc(N2CC(C3CCCC3)C2)cnc1-c1nn[n-]n1 ZINC001609620864 1165016534 /nfs/dbraw/zinc/01/65/34/1165016534.db2.gz HHJPEJRCHQMWIF-UHFFFAOYSA-N -1 1 271.328 1.283 20 0 CDADMM C[C@@H](C(=O)OC(C)(C)C)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001609645890 1165026108 /nfs/dbraw/zinc/02/61/08/1165026108.db2.gz AAPRWUCGKZIRHN-UWVGGRQHSA-N -1 1 289.397 1.466 20 0 CDADMM C[C@H]1[C@H](C(=O)[O-])CCN1CC(=O)OCc1ccccc1 ZINC001609836412 1165105420 /nfs/dbraw/zinc/10/54/20/1165105420.db2.gz XNFXXNPRGRRZOY-WCQYABFASA-N -1 1 277.320 1.525 20 0 CDADMM Cc1nc(F)ccc1CN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001610557065 1165353648 /nfs/dbraw/zinc/35/36/48/1165353648.db2.gz QLRFRISFMICPPP-CYBMUJFWSA-N -1 1 282.315 1.187 20 0 CDADMM Cn1cc(CN[C@H](C(=O)[O-])c2ccccc2Cl)cn1 ZINC001610603653 1165374204 /nfs/dbraw/zinc/37/42/04/1165374204.db2.gz ULLCAVLRQJHXFU-LBPRGKRZSA-N -1 1 279.727 1.989 20 0 CDADMM O=C([O-])c1cn([C@@H]2CCN(Cc3ccccc3F)C2)nn1 ZINC001610858145 1165463779 /nfs/dbraw/zinc/46/37/79/1165463779.db2.gz BPESKBZJQPRCIT-LLVKDONJSA-N -1 1 290.298 1.562 20 0 CDADMM Cc1sc(Cl)nc1C(=O)Nc1c[n-][nH]c1=O ZINC001611380768 1165492683 /nfs/dbraw/zinc/49/26/83/1165492683.db2.gz WZXBFKIHVKUODZ-UHFFFAOYSA-N -1 1 258.690 1.786 20 0 CDADMM CCC[C@H](NC(=O)c1cccc2ncn(C)c21)c1nn[n-]n1 ZINC001621661362 1165704847 /nfs/dbraw/zinc/70/48/47/1165704847.db2.gz QUMCRJDCAWHBDO-NSHDSACASA-N -1 1 299.338 1.358 20 0 CDADMM CC1(C)C[C@@H](NC(=O)c2ccc([O-])cc2F)C(=O)O1 ZINC001630889273 1166240891 /nfs/dbraw/zinc/24/08/91/1166240891.db2.gz YBIGYHDTXDZLTN-SNVBAGLBSA-N -1 1 267.256 1.355 20 0 CDADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)C1CC1 ZINC000095175735 1166604621 /nfs/dbraw/zinc/60/46/21/1166604621.db2.gz JGGRRUXOLOXYAR-UHFFFAOYSA-N -1 1 259.269 1.127 20 0 CDADMM CC(C)[C@H](CO)NC(=O)c1c(F)ccc([O-])c1F ZINC001637853525 1166791608 /nfs/dbraw/zinc/79/16/08/1166791608.db2.gz QVLWYKGMRMEYRT-QMMMGPOBSA-N -1 1 259.252 1.417 20 0 CDADMM CSc1nc(CNc2cc(F)ncn2)cc(=O)[n-]1 ZINC001642866468 1167205717 /nfs/dbraw/zinc/20/57/17/1167205717.db2.gz VJOOMVNCFROHAQ-UHFFFAOYSA-N -1 1 267.289 1.445 20 0 CDADMM Cc1nc([N-]C(=O)c2ncoc2[C@H]2CCCO2)nn1C ZINC001645834996 1167527333 /nfs/dbraw/zinc/52/73/33/1167527333.db2.gz AVEPCAATVDTSEM-MRVPVSSYSA-N -1 1 277.284 1.215 20 0 CDADMM Cc1ccc(-c2nn(C)cc2CNC[C@@H](F)C(=O)[O-])o1 ZINC001645876503 1167548137 /nfs/dbraw/zinc/54/81/37/1167548137.db2.gz MRLSGBCNQGHFGS-SNVBAGLBSA-N -1 1 281.287 1.501 20 0 CDADMM Cc1noc(C)c1C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001647947030 1169082485 /nfs/dbraw/zinc/08/24/85/1169082485.db2.gz CLQNTWSNTIXLBY-GFCCVEGCSA-N -1 1 298.306 1.324 20 0 CDADMM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N(C)c1nn[n-]n1 ZINC001649997904 1169586389 /nfs/dbraw/zinc/58/63/89/1169586389.db2.gz FHFTYLOTWJYSSC-VIFPVBQESA-N -1 1 287.323 1.119 20 0 CDADMM CCc1cc(NC(=O)c2ccc(O)cc2[O-])nn1C ZINC001570501608 1170172158 /nfs/dbraw/zinc/17/21/58/1170172158.db2.gz GBPTZUNRUHQJQP-UHFFFAOYSA-N -1 1 261.281 1.646 20 0 CDADMM C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)Nc1c[nH]c(C(=O)[O-])n1 ZINC001573649698 1170721787 /nfs/dbraw/zinc/72/17/87/1170721787.db2.gz RBQPFJQGZNSTFD-WKEGUHRASA-N -1 1 289.295 1.136 20 0 CDADMM CCCc1cc(C(=O)N2C3CCC(CC3)[C@H]2C(=O)[O-])n[nH]1 ZINC001573763859 1170764489 /nfs/dbraw/zinc/76/44/89/1170764489.db2.gz OPYLPMFZNPQKEK-OCTTZUBCSA-N -1 1 291.351 1.830 20 0 CDADMM CCn1cnc(Cl)c1CN1CCC[C@@H]1CC(=O)[O-] ZINC001573846868 1170803981 /nfs/dbraw/zinc/80/39/81/1170803981.db2.gz DRDXNBMBFQVJEL-SECBINFHSA-N -1 1 271.748 1.996 20 0 CDADMM O=C([O-])[C@@H]1C[C@H]1CN1CCc2c(nnn2-c2ccccc2)C1 ZINC001574395427 1170968757 /nfs/dbraw/zinc/96/87/57/1170968757.db2.gz GHRJMCJZHDOHNC-WCQYABFASA-N -1 1 298.346 1.346 20 0 CDADMM C[C@@H](C(=O)N1CC[C@@H](c2nn[n-]n2)C1)c1cccc(O)c1 ZINC001650582432 1171205327 /nfs/dbraw/zinc/20/53/27/1171205327.db2.gz MCICOWMDNUNTPF-MWLCHTKSSA-N -1 1 287.323 1.025 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)[C@@H]1CCc2ccccc2O1 ZINC001651046072 1171281672 /nfs/dbraw/zinc/28/16/72/1171281672.db2.gz JPZIVGIKOODWJN-NSHDSACASA-N -1 1 259.265 1.448 20 0 CDADMM CNc1ccc(C(=O)Nc2ccncc2[O-])cc1F ZINC001654302030 1171605246 /nfs/dbraw/zinc/60/52/46/1171605246.db2.gz YNPARFQDADRMRA-UHFFFAOYSA-N -1 1 261.256 1.642 20 0 CDADMM COC[C@@H]1CCN(C(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001579748001 1172253759 /nfs/dbraw/zinc/25/37/59/1172253759.db2.gz RTCVNHBQSKCNHF-MRVPVSSYSA-N -1 1 293.352 1.037 20 0 CDADMM Nc1cc(C(=O)NCCc2c(F)cc([O-])cc2F)ccn1 ZINC001580434215 1172433895 /nfs/dbraw/zinc/43/38/95/1172433895.db2.gz MORNIPCICKZVGU-UHFFFAOYSA-N -1 1 293.273 1.620 20 0 CDADMM Cc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)nc1C ZINC001581174622 1172592042 /nfs/dbraw/zinc/59/20/42/1172592042.db2.gz ZQMLSGBNPXBZRN-UHFFFAOYSA-N -1 1 295.306 1.526 20 0 CDADMM Cc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)nc1C ZINC001581174622 1172592046 /nfs/dbraw/zinc/59/20/46/1172592046.db2.gz ZQMLSGBNPXBZRN-UHFFFAOYSA-N -1 1 295.306 1.526 20 0 CDADMM Cc1ccoc1CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001581306485 1172602255 /nfs/dbraw/zinc/60/22/55/1172602255.db2.gz UNYYBUXIBPOJFY-UHFFFAOYSA-N -1 1 298.306 1.022 20 0 CDADMM Cc1ccoc1CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001581306485 1172602259 /nfs/dbraw/zinc/60/22/59/1172602259.db2.gz UNYYBUXIBPOJFY-UHFFFAOYSA-N -1 1 298.306 1.022 20 0 CDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CCC2CCCC2)n1 ZINC001581753664 1172621637 /nfs/dbraw/zinc/62/16/37/1172621637.db2.gz NVAANTALDKKMRT-UHFFFAOYSA-N -1 1 289.343 1.509 20 0 CDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CCC2CCCC2)n1 ZINC001581753664 1172621640 /nfs/dbraw/zinc/62/16/40/1172621640.db2.gz NVAANTALDKKMRT-UHFFFAOYSA-N -1 1 289.343 1.509 20 0 CDADMM Fc1ccc2c(c1)CC[C@H]2Nc1cncc(-c2nnn[n-]2)n1 ZINC001581855137 1172623927 /nfs/dbraw/zinc/62/39/27/1172623927.db2.gz NQAJFGPSFHFAAE-LLVKDONJSA-N -1 1 297.297 1.895 20 0 CDADMM Fc1ccc2c(c1)CC[C@H]2Nc1cncc(-c2nn[n-]n2)n1 ZINC001581855137 1172623933 /nfs/dbraw/zinc/62/39/33/1172623933.db2.gz NQAJFGPSFHFAAE-LLVKDONJSA-N -1 1 297.297 1.895 20 0 CDADMM CC(C)[C@@H]1C[C@H]1C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001589501018 1173150151 /nfs/dbraw/zinc/15/01/51/1173150151.db2.gz AJZAGJHPTUZMOM-WDEREUQCSA-N -1 1 287.323 1.597 20 0 CDADMM CC(C)[C@@H]1C[C@H]1C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001589501018 1173150154 /nfs/dbraw/zinc/15/01/54/1173150154.db2.gz AJZAGJHPTUZMOM-WDEREUQCSA-N -1 1 287.323 1.597 20 0 CDADMM CC(C)OC1CCN(c2ncncc2-c2nn[n-]n2)CC1 ZINC001589739421 1173171116 /nfs/dbraw/zinc/17/11/16/1173171116.db2.gz JXSGLELDSRZGQN-UHFFFAOYSA-N -1 1 289.343 1.051 20 0 CDADMM CC(C)OC(=O)[C@H](C)N(C)c1ccnc(-c2nnn[n-]2)c1 ZINC001589730901 1173171828 /nfs/dbraw/zinc/17/18/28/1173171828.db2.gz PNRRBLATAHGYRZ-VIFPVBQESA-N -1 1 290.327 1.038 20 0 CDADMM CC(C)OC(=O)[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)c1 ZINC001589730901 1173171831 /nfs/dbraw/zinc/17/18/31/1173171831.db2.gz PNRRBLATAHGYRZ-VIFPVBQESA-N -1 1 290.327 1.038 20 0 CDADMM CC(C)SCC(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001589760169 1173172827 /nfs/dbraw/zinc/17/28/27/1173172827.db2.gz AUAFRKJOUNYIQQ-UHFFFAOYSA-N -1 1 292.368 1.366 20 0 CDADMM CC(C)SCC(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001589760169 1173172832 /nfs/dbraw/zinc/17/28/32/1173172832.db2.gz AUAFRKJOUNYIQQ-UHFFFAOYSA-N -1 1 292.368 1.366 20 0 CDADMM C[C@H](C1CC1)N(C)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589788319 1173181553 /nfs/dbraw/zinc/18/15/53/1173181553.db2.gz YSNUKLIGRVXCSH-MRVPVSSYSA-N -1 1 272.312 1.132 20 0 CDADMM C[C@H](C1CC1)N(C)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589788319 1173181558 /nfs/dbraw/zinc/18/15/58/1173181558.db2.gz YSNUKLIGRVXCSH-MRVPVSSYSA-N -1 1 272.312 1.132 20 0 CDADMM C[C@H](Cc1ccncc1)Nc1ncncc1-c1nn[n-]n1 ZINC001589902838 1173197379 /nfs/dbraw/zinc/19/73/79/1173197379.db2.gz UVKYWKORPSIJMF-SECBINFHSA-N -1 1 282.311 1.095 20 0 CDADMM C[C@H](Cc1ccncc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001589902996 1173200071 /nfs/dbraw/zinc/20/00/71/1173200071.db2.gz XESJJXHJXARRIE-SECBINFHSA-N -1 1 282.311 1.095 20 0 CDADMM C[C@H](Cc1ccncc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001589902996 1173200074 /nfs/dbraw/zinc/20/00/74/1173200074.db2.gz XESJJXHJXARRIE-SECBINFHSA-N -1 1 282.311 1.095 20 0 CDADMM C[C@H](O)c1ccc(CNc2cccnc2-c2nnn[n-]2)cc1 ZINC001590004229 1173234219 /nfs/dbraw/zinc/23/42/19/1173234219.db2.gz SKQMNGQPSOIFBP-JTQLQIEISA-N -1 1 296.334 1.927 20 0 CDADMM C[C@H](O)c1ccc(CNc2cccnc2-c2nn[n-]n2)cc1 ZINC001590004229 1173234223 /nfs/dbraw/zinc/23/42/23/1173234223.db2.gz SKQMNGQPSOIFBP-JTQLQIEISA-N -1 1 296.334 1.927 20 0 CDADMM C[C@]1(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C=CCC1 ZINC001590070506 1173243940 /nfs/dbraw/zinc/24/39/40/1173243940.db2.gz ATJKZOFKTZJXII-ZDUSSCGKSA-N -1 1 270.296 1.557 20 0 CDADMM C[C@]1(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C=CCC1 ZINC001590070506 1173243944 /nfs/dbraw/zinc/24/39/44/1173243944.db2.gz ATJKZOFKTZJXII-ZDUSSCGKSA-N -1 1 270.296 1.557 20 0 CDADMM CC1(C)OC[C@H](CCOc2cccnc2-c2nnn[n-]2)O1 ZINC001590115816 1173262143 /nfs/dbraw/zinc/26/21/43/1173262143.db2.gz XLRSMUDYMLLJJK-VIFPVBQESA-N -1 1 291.311 1.182 20 0 CDADMM CC1(C)OC[C@H](CCOc2cccnc2-c2nn[n-]n2)O1 ZINC001590115816 1173262148 /nfs/dbraw/zinc/26/21/48/1173262148.db2.gz XLRSMUDYMLLJJK-VIFPVBQESA-N -1 1 291.311 1.182 20 0 CDADMM C[C@@H]1C[C@H](C)CN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001590191833 1173286630 /nfs/dbraw/zinc/28/66/30/1173286630.db2.gz SWVMPBPJEPZEQX-DTORHVGOSA-N -1 1 259.317 1.139 20 0 CDADMM C[C@@H]1C[C@H](C)CN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001590191833 1173286633 /nfs/dbraw/zinc/28/66/33/1173286633.db2.gz SWVMPBPJEPZEQX-DTORHVGOSA-N -1 1 259.317 1.139 20 0 CDADMM C[C@@H]1C[C@@H](NC(=O)c2ccsc2-c2nnn[n-]2)[C@H](C)O1 ZINC001590203890 1173289036 /nfs/dbraw/zinc/28/90/36/1173289036.db2.gz XHEWYZPQCROOCZ-BKPPORCPSA-N -1 1 293.352 1.224 20 0 CDADMM C[C@@H]1C[C@@H](NC(=O)c2ccsc2-c2nn[n-]n2)[C@H](C)O1 ZINC001590203890 1173289041 /nfs/dbraw/zinc/28/90/41/1173289041.db2.gz XHEWYZPQCROOCZ-BKPPORCPSA-N -1 1 293.352 1.224 20 0 CDADMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001590218794 1173298553 /nfs/dbraw/zinc/29/85/53/1173298553.db2.gz LRMBSVPYXDPEDT-IMSYWVGJSA-N -1 1 271.328 1.361 20 0 CDADMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001590218794 1173298554 /nfs/dbraw/zinc/29/85/54/1173298554.db2.gz LRMBSVPYXDPEDT-IMSYWVGJSA-N -1 1 271.328 1.361 20 0 CDADMM C[C@@H]1CC[C@@H](NC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590234946 1173306897 /nfs/dbraw/zinc/30/68/97/1173306897.db2.gz AUFPBALOKAIEMR-PSASIEDQSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@@H]1CC[C@@H](NC(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590234946 1173306904 /nfs/dbraw/zinc/30/69/04/1173306904.db2.gz AUFPBALOKAIEMR-PSASIEDQSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@H]1CC[C@H](OC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590239033 1173311748 /nfs/dbraw/zinc/31/17/48/1173311748.db2.gz KFRCSXVIGLYSKA-WPRPVWTQSA-N -1 1 273.296 1.607 20 0 CDADMM C[C@H]1CC[C@H](OC(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590239033 1173311753 /nfs/dbraw/zinc/31/17/53/1173311753.db2.gz KFRCSXVIGLYSKA-WPRPVWTQSA-N -1 1 273.296 1.607 20 0 CDADMM C[C@H]1CCC[C@@H](CNc2cc(-c3nnn[n-]3)ncn2)O1 ZINC001590240504 1173315041 /nfs/dbraw/zinc/31/50/41/1173315041.db2.gz DJLQONCZGQCHQY-IUCAKERBSA-N -1 1 275.316 1.026 20 0 CDADMM C[C@H]1CCC[C@@H](CNc2cc(-c3nn[n-]n3)ncn2)O1 ZINC001590240504 1173315050 /nfs/dbraw/zinc/31/50/50/1173315050.db2.gz DJLQONCZGQCHQY-IUCAKERBSA-N -1 1 275.316 1.026 20 0 CDADMM C[C@@H]1CCC[C@H](Cn2cc(-c3nn[n-]n3)ccc2=O)C1 ZINC001590245228 1173317706 /nfs/dbraw/zinc/31/77/06/1173317706.db2.gz XSVWPUPKZAZCDM-MNOVXSKESA-N -1 1 273.340 1.855 20 0 CDADMM C[C@@H]1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)[C@@H]1C ZINC001590263751 1173327720 /nfs/dbraw/zinc/32/77/20/1173327720.db2.gz LGGRSPDAYQQVQO-NXEZZACHSA-N -1 1 286.339 1.061 20 0 CDADMM C[C@@H]1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)[C@@H]1C ZINC001590263751 1173327724 /nfs/dbraw/zinc/32/77/24/1173327724.db2.gz LGGRSPDAYQQVQO-NXEZZACHSA-N -1 1 286.339 1.061 20 0 CDADMM CCC(=O)Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001590359782 1173374913 /nfs/dbraw/zinc/37/49/13/1173374913.db2.gz NUCHQXMQVGXOGY-UHFFFAOYSA-N -1 1 283.295 1.104 20 0 CDADMM CCC(F)(F)Cn1cc(C)cc(-c2nn[n-]n2)c1=O ZINC001590451242 1173412965 /nfs/dbraw/zinc/41/29/65/1173412965.db2.gz BMPBDSHCUXXTII-UHFFFAOYSA-N -1 1 269.255 1.382 20 0 CDADMM CC[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)c1c(C)noc1C ZINC001590473020 1173423794 /nfs/dbraw/zinc/42/37/94/1173423794.db2.gz KFSNXWAZGLZNGT-LLVKDONJSA-N -1 1 299.338 1.852 20 0 CDADMM CC[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)c1c(C)noc1C ZINC001590473020 1173423800 /nfs/dbraw/zinc/42/38/00/1173423800.db2.gz KFSNXWAZGLZNGT-LLVKDONJSA-N -1 1 299.338 1.852 20 0 CDADMM CC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)C(F)F ZINC001590472178 1173424096 /nfs/dbraw/zinc/42/40/96/1173424096.db2.gz BJIDHZXGMLUAJC-ZCFIWIBFSA-N -1 1 254.244 1.717 20 0 CDADMM CC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)C(F)F ZINC001590472178 1173424098 /nfs/dbraw/zinc/42/40/98/1173424098.db2.gz BJIDHZXGMLUAJC-ZCFIWIBFSA-N -1 1 254.244 1.717 20 0 CDADMM CC[C@@H](Nc1cc(C)nc(-c2nnn[n-]2)c1)C1CC1 ZINC001590472617 1173425938 /nfs/dbraw/zinc/42/59/38/1173425938.db2.gz VAGXPGAKHSOENB-LLVKDONJSA-N -1 1 258.329 1.593 20 0 CDADMM CC[C@@H](Nc1cc(C)nc(-c2nn[n-]n2)c1)C1CC1 ZINC001590472617 1173425940 /nfs/dbraw/zinc/42/59/40/1173425940.db2.gz VAGXPGAKHSOENB-LLVKDONJSA-N -1 1 258.329 1.593 20 0 CDADMM CC[C@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)[C@H](C)O ZINC001590474443 1173426845 /nfs/dbraw/zinc/42/68/45/1173426845.db2.gz IRJKUABWFWEYIK-WHFBIAKZSA-N -1 1 288.764 1.548 20 0 CDADMM CC[C@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H](C)O ZINC001590474443 1173426847 /nfs/dbraw/zinc/42/68/47/1173426847.db2.gz IRJKUABWFWEYIK-WHFBIAKZSA-N -1 1 288.764 1.548 20 0 CDADMM CC[C@H](c1ccncc1)N(C)c1cc(-c2nnn[n-]2)ncn1 ZINC001590482799 1173431611 /nfs/dbraw/zinc/43/16/11/1173431611.db2.gz DVIZBVMKUDVFPE-GFCCVEGCSA-N -1 1 296.338 1.639 20 0 CDADMM CC[C@H](c1ccncc1)N(C)c1cc(-c2nn[n-]n2)ncn1 ZINC001590482799 1173431616 /nfs/dbraw/zinc/43/16/16/1173431616.db2.gz DVIZBVMKUDVFPE-GFCCVEGCSA-N -1 1 296.338 1.639 20 0 CDADMM CC[C@H]1C[C@@H](Nc2ccc(C)nc2-c2nnn[n-]2)CCO1 ZINC001590506010 1173439287 /nfs/dbraw/zinc/43/92/87/1173439287.db2.gz SEKHLMLOUWHWQV-QWRGUYRKSA-N -1 1 288.355 1.940 20 0 CDADMM CC[C@H]1C[C@@H](Nc2ccc(C)nc2-c2nn[n-]n2)CCO1 ZINC001590506010 1173439291 /nfs/dbraw/zinc/43/92/91/1173439291.db2.gz SEKHLMLOUWHWQV-QWRGUYRKSA-N -1 1 288.355 1.940 20 0 CDADMM CC/C=C\CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590532449 1173454506 /nfs/dbraw/zinc/45/45/06/1173454506.db2.gz VLBMPENCYDULQH-ARJAWSKDSA-N -1 1 271.328 1.912 20 0 CDADMM CC/C=C\CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590532449 1173454511 /nfs/dbraw/zinc/45/45/11/1173454511.db2.gz VLBMPENCYDULQH-ARJAWSKDSA-N -1 1 271.328 1.912 20 0 CDADMM CCCOCCOC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590645211 1173481754 /nfs/dbraw/zinc/48/17/54/1173481754.db2.gz QONXDZBNGAUDMQ-UHFFFAOYSA-N -1 1 266.257 1.043 20 0 CDADMM CCCOCCOC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590645211 1173481761 /nfs/dbraw/zinc/48/17/61/1173481761.db2.gz QONXDZBNGAUDMQ-UHFFFAOYSA-N -1 1 266.257 1.043 20 0 CDADMM CCOC(C)(C)CNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001590780483 1173507986 /nfs/dbraw/zinc/50/79/86/1173507986.db2.gz HQSHLYSCBCEELC-UHFFFAOYSA-N -1 1 276.344 1.797 20 0 CDADMM CCOC(C)(C)CNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001590780483 1173507991 /nfs/dbraw/zinc/50/79/91/1173507991.db2.gz HQSHLYSCBCEELC-UHFFFAOYSA-N -1 1 276.344 1.797 20 0 CDADMM CCOC(C)(C)CNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001590780406 1173508659 /nfs/dbraw/zinc/50/86/59/1173508659.db2.gz FDAUVNUDKUNPIT-UHFFFAOYSA-N -1 1 276.344 1.797 20 0 CDADMM CCOC(C)(C)CNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001590780406 1173508662 /nfs/dbraw/zinc/50/86/62/1173508662.db2.gz FDAUVNUDKUNPIT-UHFFFAOYSA-N -1 1 276.344 1.797 20 0 CDADMM CCO[C@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001590782092 1173511518 /nfs/dbraw/zinc/51/15/18/1173511518.db2.gz LDJKVYMDLGIUEY-SSDOTTSWSA-N -1 1 282.325 1.396 20 0 CDADMM CCOCc1cccc(Nc2ncncc2-c2nn[n-]n2)c1 ZINC001590816969 1173519790 /nfs/dbraw/zinc/51/97/90/1173519790.db2.gz VZOVAOAWTICTNK-UHFFFAOYSA-N -1 1 297.322 1.937 20 0 CDADMM CCc1nnc(Sc2cncc(-c3nnn[n-]3)n2)s1 ZINC001590933838 1173546017 /nfs/dbraw/zinc/54/60/17/1173546017.db2.gz FECQSBWTPHLRGA-UHFFFAOYSA-N -1 1 292.353 1.222 20 0 CDADMM CCc1nnc(Sc2cncc(-c3nn[n-]n3)n2)s1 ZINC001590933838 1173546021 /nfs/dbraw/zinc/54/60/21/1173546021.db2.gz FECQSBWTPHLRGA-UHFFFAOYSA-N -1 1 292.353 1.222 20 0 CDADMM CCn1cc([C@H](C)Nc2ccc(C)c(-c3nnn[n-]3)n2)cn1 ZINC001590952132 1173549675 /nfs/dbraw/zinc/54/96/75/1173549675.db2.gz ULCVUXLAQIALPF-JTQLQIEISA-N -1 1 298.354 1.960 20 0 CDADMM CCn1cc([C@H](C)Nc2ccc(C)c(-c3nn[n-]n3)n2)cn1 ZINC001590952132 1173549684 /nfs/dbraw/zinc/54/96/84/1173549684.db2.gz ULCVUXLAQIALPF-JTQLQIEISA-N -1 1 298.354 1.960 20 0 CDADMM CN(C(=O)[C@H]1CC12CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001590975923 1173556211 /nfs/dbraw/zinc/55/62/11/1173556211.db2.gz IVEURBRGEWFGGV-LLVKDONJSA-N -1 1 298.350 1.805 20 0 CDADMM CN(C(=O)[C@H]1CC12CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001590975923 1173556215 /nfs/dbraw/zinc/55/62/15/1173556215.db2.gz IVEURBRGEWFGGV-LLVKDONJSA-N -1 1 298.350 1.805 20 0 CDADMM COC(=O)c1ccc(Oc2nnccc2-c2nnn[n-]2)cc1 ZINC001591298656 1173599605 /nfs/dbraw/zinc/59/96/05/1173599605.db2.gz SVEQUXSFXQRRSM-UHFFFAOYSA-N -1 1 298.262 1.236 20 0 CDADMM COC(=O)c1ccc(Oc2nnccc2-c2nn[n-]n2)cc1 ZINC001591298656 1173599610 /nfs/dbraw/zinc/59/96/10/1173599610.db2.gz SVEQUXSFXQRRSM-UHFFFAOYSA-N -1 1 298.262 1.236 20 0 CDADMM CO[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001591328930 1173612798 /nfs/dbraw/zinc/61/27/98/1173612798.db2.gz MVOTYYWCZVHCQL-JTQLQIEISA-N -1 1 289.343 1.274 20 0 CDADMM CO[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001591328930 1173612801 /nfs/dbraw/zinc/61/28/01/1173612801.db2.gz MVOTYYWCZVHCQL-JTQLQIEISA-N -1 1 289.343 1.274 20 0 CDADMM CO[C@@]1(C)C[C@H](Nc2cc(-c3nnn[n-]3)ncn2)C1(C)C ZINC001591338025 1173617793 /nfs/dbraw/zinc/61/77/93/1173617793.db2.gz AGNXMPGBOQUEIR-ZANVPECISA-N -1 1 289.343 1.272 20 0 CDADMM CO[C@@]1(C)C[C@H](Nc2cc(-c3nn[n-]n3)ncn2)C1(C)C ZINC001591338025 1173617796 /nfs/dbraw/zinc/61/77/96/1173617796.db2.gz AGNXMPGBOQUEIR-ZANVPECISA-N -1 1 289.343 1.272 20 0 CDADMM CO[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001591357857 1173628415 /nfs/dbraw/zinc/62/84/15/1173628415.db2.gz JBUVFFOEVHKHCO-JOYOIKCWSA-N -1 1 274.328 1.123 20 0 CDADMM CO[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001591357857 1173628418 /nfs/dbraw/zinc/62/84/18/1173628418.db2.gz JBUVFFOEVHKHCO-JOYOIKCWSA-N -1 1 274.328 1.123 20 0 CDADMM CO[C@@H]1CCC[C@H]1CNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001591362270 1173630697 /nfs/dbraw/zinc/63/06/97/1173630697.db2.gz QYUGGKURCAQNCT-CMPLNLGQSA-N -1 1 288.355 1.797 20 0 CDADMM CO[C@@H]1CCC[C@H]1CNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001591362270 1173630703 /nfs/dbraw/zinc/63/07/03/1173630703.db2.gz QYUGGKURCAQNCT-CMPLNLGQSA-N -1 1 288.355 1.797 20 0 CDADMM COC[C@@H](C)COC(=O)c1sccc1-c1nn[n-]n1 ZINC001591373713 1173634328 /nfs/dbraw/zinc/63/43/28/1173634328.db2.gz MFNFMOJQSJIDGD-SSDOTTSWSA-N -1 1 282.325 1.368 20 0 CDADMM COCCc1ccc(Oc2nnccc2-c2nnn[n-]2)cc1 ZINC001591447428 1173652008 /nfs/dbraw/zinc/65/20/08/1173652008.db2.gz LYCWAUGKUHBEGX-UHFFFAOYSA-N -1 1 298.306 1.638 20 0 CDADMM COCCc1ccc(Oc2nnccc2-c2nn[n-]n2)cc1 ZINC001591447428 1173652013 /nfs/dbraw/zinc/65/20/13/1173652013.db2.gz LYCWAUGKUHBEGX-UHFFFAOYSA-N -1 1 298.306 1.638 20 0 CDADMM COc1ccc(Cl)c(Cn2cc(-c3nn[n-]n3)nn2)c1 ZINC001591603157 1173673284 /nfs/dbraw/zinc/67/32/84/1173673284.db2.gz GUAXLKWMKXJHLY-UHFFFAOYSA-N -1 1 291.702 1.169 20 0 CDADMM COc1ncc(NC(=O)C2CC=CC2)cc1-c1nn[n-]n1 ZINC001591665537 1173678829 /nfs/dbraw/zinc/67/88/29/1173678829.db2.gz WOHSNYDQAUTWMP-UHFFFAOYSA-N -1 1 286.295 1.175 20 0 CDADMM CSCCCC(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001591701002 1173690216 /nfs/dbraw/zinc/69/02/16/1173690216.db2.gz XWQYIPZSEDBHDN-UHFFFAOYSA-N -1 1 292.368 1.368 20 0 CDADMM CSCCCC(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001591701002 1173690221 /nfs/dbraw/zinc/69/02/21/1173690221.db2.gz XWQYIPZSEDBHDN-UHFFFAOYSA-N -1 1 292.368 1.368 20 0 CDADMM C[C@@H](OC(=O)c1coc(-c2nnn[n-]2)c1)[C@H]1CC12CC2 ZINC001591732705 1173693899 /nfs/dbraw/zinc/69/38/99/1173693899.db2.gz LFPNDURZGIJSLM-VXNVDRBHSA-N -1 1 274.280 1.805 20 0 CDADMM C[C@@H](OC(=O)c1coc(-c2nn[n-]n2)c1)[C@H]1CC12CC2 ZINC001591732705 1173693903 /nfs/dbraw/zinc/69/39/03/1173693903.db2.gz LFPNDURZGIJSLM-VXNVDRBHSA-N -1 1 274.280 1.805 20 0 CDADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001591770086 1173697151 /nfs/dbraw/zinc/69/71/51/1173697151.db2.gz IRGPVCRCPVOZAT-QMMMGPOBSA-N -1 1 268.284 1.225 20 0 CDADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001591770086 1173697153 /nfs/dbraw/zinc/69/71/53/1173697153.db2.gz IRGPVCRCPVOZAT-QMMMGPOBSA-N -1 1 268.284 1.225 20 0 CDADMM C[C@]12CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001591780278 1173702438 /nfs/dbraw/zinc/70/24/38/1173702438.db2.gz HOYLMOWXYVAGRT-BQVMBELUSA-N -1 1 297.366 1.529 20 0 CDADMM C[C@]12CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001591780278 1173702443 /nfs/dbraw/zinc/70/24/43/1173702443.db2.gz HOYLMOWXYVAGRT-BQVMBELUSA-N -1 1 297.366 1.529 20 0 CDADMM Cc1c[nH]nc1COC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591834324 1173711176 /nfs/dbraw/zinc/71/11/76/1173711176.db2.gz VBPKSZNUDDAEQC-UHFFFAOYSA-N -1 1 288.267 1.157 20 0 CDADMM Cc1c[nH]nc1COC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591834324 1173711183 /nfs/dbraw/zinc/71/11/83/1173711183.db2.gz VBPKSZNUDDAEQC-UHFFFAOYSA-N -1 1 288.267 1.157 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC(C)(C)[C@@H]3CCC[C@@H]32)n1 ZINC001591884180 1173737604 /nfs/dbraw/zinc/73/76/04/1173737604.db2.gz RPTXSXQJVZZGMX-PWSUYJOCSA-N -1 1 299.382 1.980 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC(C)(C)[C@@H]3CCC[C@@H]32)n1 ZINC001591884180 1173737609 /nfs/dbraw/zinc/73/76/09/1173737609.db2.gz RPTXSXQJVZZGMX-PWSUYJOCSA-N -1 1 299.382 1.980 20 0 CDADMM Cc1cc(CNc2n[nH]cc2-c2nnn[n-]2)cnc1F ZINC001591969610 1173758230 /nfs/dbraw/zinc/75/82/30/1173758230.db2.gz GUCVBRMNNSFDDE-UHFFFAOYSA-N -1 1 274.263 1.044 20 0 CDADMM Cc1cc(CNc2n[nH]cc2-c2nn[n-]n2)cnc1F ZINC001591969610 1173758234 /nfs/dbraw/zinc/75/82/34/1173758234.db2.gz GUCVBRMNNSFDDE-UHFFFAOYSA-N -1 1 274.263 1.044 20 0 CDADMM Cc1cc(N[C@@H]2CSC[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592040513 1173782377 /nfs/dbraw/zinc/78/23/77/1173782377.db2.gz ZYRSGTMVMBLYRF-WRWORJQWSA-N -1 1 276.369 1.155 20 0 CDADMM Cc1cc(N[C@@H]2CSC[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592040513 1173782381 /nfs/dbraw/zinc/78/23/81/1173782381.db2.gz ZYRSGTMVMBLYRF-WRWORJQWSA-N -1 1 276.369 1.155 20 0 CDADMM Cc1ocnc1CNc1nc(-c2nn[n-]n2)ccc1C ZINC001592112641 1173802520 /nfs/dbraw/zinc/80/25/20/1173802520.db2.gz PLRCAAQRGQWPJA-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1ccc(C(=O)Nc2c(-c3nnn[n-]3)c(C)nn2C)o1 ZINC001592129660 1173809032 /nfs/dbraw/zinc/80/90/32/1173809032.db2.gz SKQMLTVUCFJSDN-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1ccc(C(=O)Nc2c(-c3nn[n-]n3)c(C)nn2C)o1 ZINC001592129660 1173809035 /nfs/dbraw/zinc/80/90/35/1173809035.db2.gz SKQMLTVUCFJSDN-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1ccc(CCNc2cncc(-c3nnn[n-]3)n2)c(C)c1 ZINC001592151785 1173812572 /nfs/dbraw/zinc/81/25/72/1173812572.db2.gz YEGLBNRTSKZKMW-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(CCNc2cncc(-c3nn[n-]n3)n2)c(C)c1 ZINC001592151785 1173812577 /nfs/dbraw/zinc/81/25/77/1173812577.db2.gz YEGLBNRTSKZKMW-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(N2CCC[C@H]2C[C@H](C)O)c(-c2nnn[n-]2)n1 ZINC001592176796 1173822895 /nfs/dbraw/zinc/82/28/95/1173822895.db2.gz OHFNUEOKQKUQTP-QWRGUYRKSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1ccc(N2CCC[C@H]2C[C@H](C)O)c(-c2nn[n-]n2)n1 ZINC001592176796 1173822898 /nfs/dbraw/zinc/82/28/98/1173822898.db2.gz OHFNUEOKQKUQTP-QWRGUYRKSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1ccc(F)c(CN(C)c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001592173484 1173822953 /nfs/dbraw/zinc/82/29/53/1173822953.db2.gz BBSRGEZOXGAZQK-UHFFFAOYSA-N -1 1 299.313 1.741 20 0 CDADMM Cc1ccc(F)c(CN(C)c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001592173484 1173822957 /nfs/dbraw/zinc/82/29/57/1173822957.db2.gz BBSRGEZOXGAZQK-UHFFFAOYSA-N -1 1 299.313 1.741 20 0 CDADMM Cc1ccc(N2CCO[C@@H](C(C)C)C2)c(-c2nnn[n-]2)n1 ZINC001592174784 1173823310 /nfs/dbraw/zinc/82/33/10/1173823310.db2.gz CLOMYSHYCZMAHG-GFCCVEGCSA-N -1 1 288.355 1.431 20 0 CDADMM Cc1ccc(N2CCO[C@@H](C(C)C)C2)c(-c2nn[n-]n2)n1 ZINC001592174784 1173823313 /nfs/dbraw/zinc/82/33/13/1173823313.db2.gz CLOMYSHYCZMAHG-GFCCVEGCSA-N -1 1 288.355 1.431 20 0 CDADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)cn1 ZINC001592182405 1173825013 /nfs/dbraw/zinc/82/50/13/1173825013.db2.gz JQIBXYHUXUTYTL-UHFFFAOYSA-N -1 1 270.252 1.415 20 0 CDADMM Cc1ccc(NC[C@@H]2CC[C@H](O)C2)c(-c2nnn[n-]2)n1 ZINC001592182839 1173825644 /nfs/dbraw/zinc/82/56/44/1173825644.db2.gz BHWUVVAJUROHHF-ZJUUUORDSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1ccc(NC[C@@H]2CC[C@H](O)C2)c(-c2nn[n-]n2)n1 ZINC001592182839 1173825652 /nfs/dbraw/zinc/82/56/52/1173825652.db2.gz BHWUVVAJUROHHF-ZJUUUORDSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1ccc(NC[C@@H](C)C[C@@H](C)O)nc1-c1nnn[n-]1 ZINC001592183227 1173827969 /nfs/dbraw/zinc/82/79/69/1173827969.db2.gz PFVOFHVFAAVAHF-WCBMZHEXSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1ccc(NC[C@@H](C)C[C@@H](C)O)nc1-c1nn[n-]n1 ZINC001592183227 1173827970 /nfs/dbraw/zinc/82/79/70/1173827970.db2.gz PFVOFHVFAAVAHF-WCBMZHEXSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1ccc(NC[C@H]2CCOC[C@@H]2C)nc1-c1nnn[n-]1 ZINC001592183720 1173827987 /nfs/dbraw/zinc/82/79/87/1173827987.db2.gz VNPQDLYRBYUASO-WDEREUQCSA-N -1 1 288.355 1.655 20 0 CDADMM Cc1ccc(NC[C@H]2CCOC[C@@H]2C)nc1-c1nn[n-]n1 ZINC001592183720 1173827988 /nfs/dbraw/zinc/82/79/88/1173827988.db2.gz VNPQDLYRBYUASO-WDEREUQCSA-N -1 1 288.355 1.655 20 0 CDADMM Cc1ccc(N[C@H]2C[C@H](O)C2(C)C)c(-c2nnn[n-]2)n1 ZINC001592184004 1173829439 /nfs/dbraw/zinc/82/94/39/1173829439.db2.gz OBCLPDSNWMGGMY-UWVGGRQHSA-N -1 1 274.328 1.141 20 0 CDADMM Cc1ccc(N[C@H]2C[C@H](O)C2(C)C)c(-c2nn[n-]n2)n1 ZINC001592184004 1173829443 /nfs/dbraw/zinc/82/94/43/1173829443.db2.gz OBCLPDSNWMGGMY-UWVGGRQHSA-N -1 1 274.328 1.141 20 0 CDADMM Cc1cnc(NC(=O)c2cccc(-c3nnn[n-]3)n2)s1 ZINC001592293988 1173848288 /nfs/dbraw/zinc/84/82/88/1173848288.db2.gz UHEOKDMRWRRWMA-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1cnc(NC(=O)c2cccc(-c3nn[n-]n3)n2)s1 ZINC001592293988 1173848294 /nfs/dbraw/zinc/84/82/94/1173848294.db2.gz UHEOKDMRWRRWMA-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1nc(C)c(CNc2cccnc2-c2nnn[n-]2)o1 ZINC001592357068 1173865867 /nfs/dbraw/zinc/86/58/67/1173865867.db2.gz CJMAQTOYQAHRIF-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1nc(C)c(CNc2cccnc2-c2nn[n-]n2)o1 ZINC001592357068 1173865872 /nfs/dbraw/zinc/86/58/72/1173865872.db2.gz CJMAQTOYQAHRIF-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC(=O)[C@@H]1C[C@@H]1C ZINC001592502830 1173908511 /nfs/dbraw/zinc/90/85/11/1173908511.db2.gz XUSDKPQXTBLFTA-POYBYMJQSA-N -1 1 290.279 1.150 20 0 CDADMM Cn1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c(C2CC2)n1 ZINC001592575158 1173922723 /nfs/dbraw/zinc/92/27/23/1173922723.db2.gz WIZSJIFHLGCYTM-UHFFFAOYSA-N -1 1 299.294 1.323 20 0 CDADMM FC(F)(F)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001592614363 1173928904 /nfs/dbraw/zinc/92/89/04/1173928904.db2.gz LJLNRDWDRYZGEF-UHFFFAOYSA-N -1 1 278.625 1.889 20 0 CDADMM FC(F)(F)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001592614363 1173928906 /nfs/dbraw/zinc/92/89/06/1173928906.db2.gz LJLNRDWDRYZGEF-UHFFFAOYSA-N -1 1 278.625 1.889 20 0 CDADMM FC(F)(F)C1CN(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001592614957 1173929115 /nfs/dbraw/zinc/92/91/15/1173929115.db2.gz CFCAMLNGIXISCH-UHFFFAOYSA-N -1 1 290.274 1.317 20 0 CDADMM FC(F)(F)C1CN(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001592614957 1173929120 /nfs/dbraw/zinc/92/91/20/1173929120.db2.gz CFCAMLNGIXISCH-UHFFFAOYSA-N -1 1 290.274 1.317 20 0 CDADMM FC1(F)CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592627882 1173935295 /nfs/dbraw/zinc/93/52/95/1173935295.db2.gz HYHBLQCPVONJIP-ZCFIWIBFSA-N -1 1 267.243 1.256 20 0 CDADMM FC1(F)CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592627882 1173935301 /nfs/dbraw/zinc/93/53/01/1173935301.db2.gz HYHBLQCPVONJIP-ZCFIWIBFSA-N -1 1 267.243 1.256 20 0 CDADMM Fc1ccc(Cn2cc(-c3nn[n-]n3)nn2)c2ncccc12 ZINC001592649760 1173953097 /nfs/dbraw/zinc/95/30/97/1173953097.db2.gz ZSHNJKXHTSZPGH-UHFFFAOYSA-N -1 1 296.269 1.194 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCCCC1CC1 ZINC001592915534 1174004935 /nfs/dbraw/zinc/00/49/35/1174004935.db2.gz YMVCDPHMIMNYPT-UHFFFAOYSA-N -1 1 287.323 1.538 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCCCC1CC1 ZINC001592915534 1174004947 /nfs/dbraw/zinc/00/49/47/1174004947.db2.gz YMVCDPHMIMNYPT-UHFFFAOYSA-N -1 1 287.323 1.538 20 0 CDADMM O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1csc(-c2nn[n-]n2)c1 ZINC001592973366 1174010130 /nfs/dbraw/zinc/01/01/30/1174010130.db2.gz UHJQIBMKFPHVEU-SZEHBUNVSA-N -1 1 289.364 1.847 20 0 CDADMM O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)c1coc(-c2nnn[n-]2)c1 ZINC001592973138 1174011016 /nfs/dbraw/zinc/01/10/16/1174011016.db2.gz QXMUXCDPRNNJKR-FXBDTBDDSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)c1coc(-c2nn[n-]n2)c1 ZINC001592973138 1174011020 /nfs/dbraw/zinc/01/10/20/1174011020.db2.gz QXMUXCDPRNNJKR-FXBDTBDDSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1ccsc1 ZINC001593137034 1174024343 /nfs/dbraw/zinc/02/43/43/1174024343.db2.gz NCPZFAIDZAXASP-UHFFFAOYSA-N -1 1 291.361 1.920 20 0 CDADMM O=C(NOCCC(F)(F)F)c1coc(-c2nnn[n-]2)c1 ZINC001593169340 1174029832 /nfs/dbraw/zinc/02/98/32/1174029832.db2.gz PXXHTMNIULMCJG-UHFFFAOYSA-N -1 1 291.189 1.074 20 0 CDADMM O=C(NOCCC(F)(F)F)c1coc(-c2nn[n-]n2)c1 ZINC001593169340 1174029837 /nfs/dbraw/zinc/02/98/37/1174029837.db2.gz PXXHTMNIULMCJG-UHFFFAOYSA-N -1 1 291.189 1.074 20 0 CDADMM O=C(NOCC1CCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593169186 1174030400 /nfs/dbraw/zinc/03/04/00/1174030400.db2.gz MDKWZXMUKQSKLZ-UHFFFAOYSA-N -1 1 291.286 1.467 20 0 CDADMM O=C(NOCC1CCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593169186 1174030407 /nfs/dbraw/zinc/03/04/07/1174030407.db2.gz MDKWZXMUKQSKLZ-UHFFFAOYSA-N -1 1 291.286 1.467 20 0 CDADMM O=C(N[C@@H]1C[C@H]1C1CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593179913 1174030536 /nfs/dbraw/zinc/03/05/36/1174030536.db2.gz CMGCGDOWOZYUQL-CMPLNLGQSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(N[C@@H]1C[C@H]1C1CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593179913 1174030546 /nfs/dbraw/zinc/03/05/46/1174030546.db2.gz CMGCGDOWOZYUQL-CMPLNLGQSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1CC12CCCC2 ZINC001593243496 1174037896 /nfs/dbraw/zinc/03/78/96/1174037896.db2.gz DFQSWMSAXLGBNI-SNVBAGLBSA-N -1 1 299.338 1.716 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1CC12CCCC2 ZINC001593243496 1174037906 /nfs/dbraw/zinc/03/79/06/1174037906.db2.gz DFQSWMSAXLGBNI-SNVBAGLBSA-N -1 1 299.338 1.716 20 0 CDADMM O=C(Nc1nc2ccccc2[nH]1)c1coc(-c2nnn[n-]2)c1 ZINC001593266051 1174043845 /nfs/dbraw/zinc/04/38/45/1174043845.db2.gz GTKLVPUYJCNPAL-UHFFFAOYSA-N -1 1 295.262 1.588 20 0 CDADMM O=C(Nc1nc2ccccc2[nH]1)c1coc(-c2nn[n-]n2)c1 ZINC001593266051 1174043854 /nfs/dbraw/zinc/04/38/54/1174043854.db2.gz GTKLVPUYJCNPAL-UHFFFAOYSA-N -1 1 295.262 1.588 20 0 CDADMM O=C(OC[C@H]1CC12CCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001593285511 1174050517 /nfs/dbraw/zinc/05/05/17/1174050517.db2.gz VJFCDYRSAGKURC-SNVBAGLBSA-N -1 1 285.307 1.609 20 0 CDADMM O=C(OC[C@H]1CC12CCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001593285511 1174050520 /nfs/dbraw/zinc/05/05/20/1174050520.db2.gz VJFCDYRSAGKURC-SNVBAGLBSA-N -1 1 285.307 1.609 20 0 CDADMM O=C(OC[C@@H]1CC[C@H]2C[C@H]2C1)c1cccc(-c2nnn[n-]2)n1 ZINC001593285303 1174051840 /nfs/dbraw/zinc/05/18/40/1174051840.db2.gz ZTTGPTQBBZMHPM-OUAUKWLOSA-N -1 1 299.334 1.855 20 0 CDADMM O=C(OC[C@@H]1CC[C@H]2C[C@H]2C1)c1cccc(-c2nn[n-]n2)n1 ZINC001593285303 1174051847 /nfs/dbraw/zinc/05/18/47/1174051847.db2.gz ZTTGPTQBBZMHPM-OUAUKWLOSA-N -1 1 299.334 1.855 20 0 CDADMM O=C(OCCOC(F)F)c1sccc1-c1nn[n-]n1 ZINC001593290540 1174053175 /nfs/dbraw/zinc/05/31/75/1174053175.db2.gz NQRNGETVKHSIDO-UHFFFAOYSA-N -1 1 290.251 1.324 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@@H](C2CCC2)C1 ZINC001593347644 1174068225 /nfs/dbraw/zinc/06/82/25/1174068225.db2.gz DBAHTFMSLCHSQL-LLVKDONJSA-N -1 1 298.350 1.524 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@@H](C2CCC2)C1 ZINC001593347644 1174068234 /nfs/dbraw/zinc/06/82/34/1174068234.db2.gz DBAHTFMSLCHSQL-LLVKDONJSA-N -1 1 298.350 1.524 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@H](C2CC2)C1 ZINC001593341309 1174068246 /nfs/dbraw/zinc/06/82/46/1174068246.db2.gz SRILAMRQXWZIJN-JTQLQIEISA-N -1 1 287.323 1.722 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@H](C2CC2)C1 ZINC001593341309 1174068249 /nfs/dbraw/zinc/06/82/49/1174068249.db2.gz SRILAMRQXWZIJN-JTQLQIEISA-N -1 1 287.323 1.722 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001593341446 1174068500 /nfs/dbraw/zinc/06/85/00/1174068500.db2.gz VLTQXBYRVPWOMM-RQJHMYQMSA-N -1 1 295.249 1.187 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001593341446 1174068509 /nfs/dbraw/zinc/06/85/09/1174068509.db2.gz VLTQXBYRVPWOMM-RQJHMYQMSA-N -1 1 295.249 1.187 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC001593340978 1174068768 /nfs/dbraw/zinc/06/87/68/1174068768.db2.gz SCLYOJICAIEAAD-GXFFZTMASA-N -1 1 299.334 1.720 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC001593340978 1174068774 /nfs/dbraw/zinc/06/87/74/1174068774.db2.gz SCLYOJICAIEAAD-GXFFZTMASA-N -1 1 299.334 1.720 20 0 CDADMM O=c1c2sccc2c(-c2nn[n-]n2)cn1CCCCF ZINC001593493624 1174088364 /nfs/dbraw/zinc/08/83/64/1174088364.db2.gz DWVBJDKABFNPLA-UHFFFAOYSA-N -1 1 293.327 1.993 20 0 CDADMM O[C@@H](CNc1ccnc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001593507499 1174092573 /nfs/dbraw/zinc/09/25/73/1174092573.db2.gz SBRMVCCJCFXLJH-ZDUSSCGKSA-N -1 1 288.355 1.037 20 0 CDADMM O[C@@H](CNc1ccnc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001593507499 1174092580 /nfs/dbraw/zinc/09/25/80/1174092580.db2.gz SBRMVCCJCFXLJH-ZDUSSCGKSA-N -1 1 288.355 1.037 20 0 CDADMM OC[C@H](CC1CCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593523932 1174101679 /nfs/dbraw/zinc/10/16/79/1174101679.db2.gz ZLESTEDRZPTCQB-JTQLQIEISA-N -1 1 274.328 1.225 20 0 CDADMM OC[C@H](CC1CCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593523932 1174101681 /nfs/dbraw/zinc/10/16/81/1174101681.db2.gz ZLESTEDRZPTCQB-JTQLQIEISA-N -1 1 274.328 1.225 20 0 CDADMM c1cc(-c2nnc(C3CCC3)o2)oc1-c1nnn[n-]1 ZINC001593545287 1174114891 /nfs/dbraw/zinc/11/48/91/1174114891.db2.gz ZOTRVVGZHGALSD-UHFFFAOYSA-N -1 1 258.241 1.777 20 0 CDADMM c1cc(-c2nnc(C3CCC3)o2)oc1-c1nn[n-]n1 ZINC001593545287 1174114895 /nfs/dbraw/zinc/11/48/95/1174114895.db2.gz ZOTRVVGZHGALSD-UHFFFAOYSA-N -1 1 258.241 1.777 20 0 CDADMM c1cc([C@@H]2CCCCN2c2ccnc(-c3nnn[n-]3)c2)n[nH]1 ZINC001593559490 1174135804 /nfs/dbraw/zinc/13/58/04/1174135804.db2.gz VKUDKBYZESNBJQ-ZDUSSCGKSA-N -1 1 296.338 1.716 20 0 CDADMM c1cc([C@@H]2CCCCN2c2ccnc(-c3nn[n-]n3)c2)n[nH]1 ZINC001593559490 1174135808 /nfs/dbraw/zinc/13/58/08/1174135808.db2.gz VKUDKBYZESNBJQ-ZDUSSCGKSA-N -1 1 296.338 1.716 20 0 CDADMM c1cc(CCNc2ccnc(-c3nnn[n-]3)c2)co1 ZINC001593560632 1174136014 /nfs/dbraw/zinc/13/60/14/1174136014.db2.gz KEBGOWSRXJTXNF-UHFFFAOYSA-N -1 1 256.269 1.509 20 0 CDADMM c1cc(CCNc2ccnc(-c3nn[n-]n3)c2)co1 ZINC001593560632 1174136016 /nfs/dbraw/zinc/13/60/16/1174136016.db2.gz KEBGOWSRXJTXNF-UHFFFAOYSA-N -1 1 256.269 1.509 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@H]2CC[C@H](C3CC3)O2)n1 ZINC001593583192 1174151421 /nfs/dbraw/zinc/15/14/21/1174151421.db2.gz REPBOBJUBQNCBQ-NXEZZACHSA-N -1 1 287.327 1.026 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@H]2CC[C@H](C3CC3)O2)n1 ZINC001593583192 1174151424 /nfs/dbraw/zinc/15/14/24/1174151424.db2.gz REPBOBJUBQNCBQ-NXEZZACHSA-N -1 1 287.327 1.026 20 0 CDADMM c1cnc([C@@H]2CCN(c3ccnc(-c4nnn[n-]4)c3)C2)nc1 ZINC001593583580 1174151621 /nfs/dbraw/zinc/15/16/21/1174151621.db2.gz JRMUDWINTFSJLG-SNVBAGLBSA-N -1 1 294.322 1.046 20 0 CDADMM c1cnc([C@@H]2CCN(c3ccnc(-c4nn[n-]n4)c3)C2)nc1 ZINC001593583580 1174151627 /nfs/dbraw/zinc/15/16/27/1174151627.db2.gz JRMUDWINTFSJLG-SNVBAGLBSA-N -1 1 294.322 1.046 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(S[C@@H]2CCSC2)c1 ZINC001593585365 1174153080 /nfs/dbraw/zinc/15/30/80/1174153080.db2.gz ROQHILXZODDWFX-SSDOTTSWSA-N -1 1 265.367 1.859 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(S[C@@H]2CCSC2)c1 ZINC001593585365 1174153081 /nfs/dbraw/zinc/15/30/81/1174153081.db2.gz ROQHILXZODDWFX-SSDOTTSWSA-N -1 1 265.367 1.859 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NC[C@H]1C[C@H]1C1CCCC1 ZINC001593594631 1174162036 /nfs/dbraw/zinc/16/20/36/1174162036.db2.gz DLVYLEUKXPBLHP-MNOVXSKESA-N -1 1 285.355 1.895 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NC[C@H]1C[C@H]1C1CCCC1 ZINC001593594631 1174162041 /nfs/dbraw/zinc/16/20/41/1174162041.db2.gz DLVYLEUKXPBLHP-MNOVXSKESA-N -1 1 285.355 1.895 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NC[C@]23C[C@H]2COC32CCC2)n1 ZINC001593595028 1174163881 /nfs/dbraw/zinc/16/38/81/1174163881.db2.gz LUXGUMXFVROYRN-TVQRCGJNSA-N -1 1 299.338 1.028 20 0 CDADMM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@@H]2N1Cc1cncn1C ZINC001594339925 1174183702 /nfs/dbraw/zinc/18/37/02/1174183702.db2.gz LRXYAEXJJDWHEZ-LPTSXCQYSA-N -1 1 279.340 1.015 20 0 CDADMM Cc1cc(C)c(C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)s1 ZINC001600150844 1174380858 /nfs/dbraw/zinc/38/08/58/1174380858.db2.gz IWNPTTPKMKKFJC-LLVKDONJSA-N -1 1 296.392 1.453 20 0 CDADMM Cc1cc(CN(CCC(=O)[O-])C[C@H]2CCCO2)n(C)n1 ZINC001600190641 1174393726 /nfs/dbraw/zinc/39/37/26/1174393726.db2.gz PIGTUYRWXNBTGS-CYBMUJFWSA-N -1 1 281.356 1.184 20 0 CDADMM Cc1ccc(NC[C@@H](C)CN2CCOCC2)nc1C(=O)[O-] ZINC001600459990 1174483305 /nfs/dbraw/zinc/48/33/05/1174483305.db2.gz XFUNHKBURBFHTJ-LLVKDONJSA-N -1 1 293.367 1.468 20 0 CDADMM CCCc1noc(COc2cccnc2-c2nnn[n-]2)n1 ZINC000095171815 1174500876 /nfs/dbraw/zinc/50/08/76/1174500876.db2.gz LZOSRTNDOOZDGG-UHFFFAOYSA-N -1 1 287.283 1.176 20 0 CDADMM CCCc1noc(COc2cccnc2-c2nn[n-]n2)n1 ZINC000095171815 1174500883 /nfs/dbraw/zinc/50/08/83/1174500883.db2.gz LZOSRTNDOOZDGG-UHFFFAOYSA-N -1 1 287.283 1.176 20 0 CDADMM COc1ccccc1Oc1cncc(-c2nnn[n-]2)n1 ZINC000095192445 1174506247 /nfs/dbraw/zinc/50/62/47/1174506247.db2.gz JWKMNOJZGQIQPQ-UHFFFAOYSA-N -1 1 270.252 1.458 20 0 CDADMM COc1ccccc1Oc1cncc(-c2nn[n-]n2)n1 ZINC000095192445 1174506255 /nfs/dbraw/zinc/50/62/55/1174506255.db2.gz JWKMNOJZGQIQPQ-UHFFFAOYSA-N -1 1 270.252 1.458 20 0 CDADMM Cc1nc([C@H]2CCN(Cc3cc(C(=O)[O-])oc3C)C2)no1 ZINC001600697107 1174569578 /nfs/dbraw/zinc/56/95/78/1174569578.db2.gz QOORWUKSWCXMKD-JTQLQIEISA-N -1 1 291.307 1.967 20 0 CDADMM Cc1nc2cccc(C(=O)N[C@H]3C[C@@H]4C[C@]4(C(=O)[O-])C3)c2[nH]1 ZINC001600721278 1174579724 /nfs/dbraw/zinc/57/97/24/1174579724.db2.gz UUONVXDGGPYHFT-LSYCYVAJSA-N -1 1 299.330 1.854 20 0 CDADMM Cc1nc([C@@H](C)NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)n[nH]1 ZINC001600792740 1174611804 /nfs/dbraw/zinc/61/18/04/1174611804.db2.gz SRGHXFKSKJCFJP-SSDOTTSWSA-N -1 1 291.311 1.247 20 0 CDADMM Cn1cc(NC(=O)c2[nH]cnc2C(C)(C)C)cc1C(=O)[O-] ZINC001600963957 1174682500 /nfs/dbraw/zinc/68/25/00/1174682500.db2.gz FCCZKUQCRJXDID-UHFFFAOYSA-N -1 1 290.323 1.996 20 0 CDADMM CS(=O)(=O)c1ccc(-c2ccc([O-])c(F)c2)nc1 ZINC000113716195 1174697121 /nfs/dbraw/zinc/69/71/21/1174697121.db2.gz XNZJNBUHRGKRPB-UHFFFAOYSA-N -1 1 267.281 1.997 20 0 CDADMM Cn1nc2c(c1CN1CC(C)(C(=O)[O-])C1)CCCC2 ZINC001601017659 1174704076 /nfs/dbraw/zinc/70/40/76/1174704076.db2.gz FMPPDBAGDFLGTE-UHFFFAOYSA-N -1 1 263.341 1.205 20 0 CDADMM O=C([O-])[C@H](CCF)NC(=O)Cc1[nH]nc2ccccc21 ZINC001601375164 1174849925 /nfs/dbraw/zinc/84/99/25/1174849925.db2.gz FNFDUDPBVKYOPN-JTQLQIEISA-N -1 1 279.271 1.034 20 0 CDADMM O=C([O-])c1sccc1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC001601442348 1174872984 /nfs/dbraw/zinc/87/29/84/1174872984.db2.gz ZGYCRVSZWYELQG-MRVPVSSYSA-N -1 1 280.349 1.413 20 0 CDADMM O=C([O-])c1ccc(C(=O)N[C@H]2CN3CCC2CC3)cc1F ZINC001601448366 1174873475 /nfs/dbraw/zinc/87/34/75/1174873475.db2.gz OONWQSGZRQYNQU-ZDUSSCGKSA-N -1 1 292.310 1.348 20 0 CDADMM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2ncccn2)C1 ZINC001601727648 1174970257 /nfs/dbraw/zinc/97/02/57/1174970257.db2.gz AXHCUPJSHFBFPA-INIZCTEOSA-N -1 1 283.331 1.705 20 0 CDADMM O=C([O-])[C@@H]1CC(=O)N(CN2CCCC3(CCCCC3)C2)C1 ZINC001601759838 1174993588 /nfs/dbraw/zinc/99/35/88/1174993588.db2.gz YTBHXVFLBVMGSZ-CYBMUJFWSA-N -1 1 294.395 1.923 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)CN(C/C=C/c2ccc(F)cc2F)C1 ZINC001601770108 1174997449 /nfs/dbraw/zinc/99/74/49/1174997449.db2.gz USTJZRIOYLSPPS-BUQROOPJSA-N -1 1 297.301 1.745 20 0 CDADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1ccco1)C[C@H]2C(=O)[O-] ZINC001601780534 1175004283 /nfs/dbraw/zinc/00/42/83/1175004283.db2.gz KMFBYBKCAALUIK-ZQDGQSPWSA-N -1 1 279.292 1.277 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@H](n2cc(CNC3CC3)nn2)C1 ZINC001601803344 1175013112 /nfs/dbraw/zinc/01/31/12/1175013112.db2.gz FMBULAPOLRVKOU-SKDRFNHKSA-N -1 1 264.329 1.346 20 0 CDADMM O=C([O-])[C@@H]1CCN1C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC001601835095 1175029960 /nfs/dbraw/zinc/02/99/60/1175029960.db2.gz VTUVMPZOCNGXFK-KBPBESRZSA-N -1 1 288.347 1.337 20 0 CDADMM O=C([O-])Cc1occc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC001602156270 1175146013 /nfs/dbraw/zinc/14/60/13/1175146013.db2.gz DCZPLNZMRFAUKT-SNVBAGLBSA-N -1 1 289.291 1.437 20 0 CDADMM O=C([O-])c1cc(Nc2cnn(-c3ccncc3)c2)ncn1 ZINC001602288052 1175194084 /nfs/dbraw/zinc/19/40/84/1175194084.db2.gz ZAMQFNAXHINOIO-UHFFFAOYSA-N -1 1 282.263 1.499 20 0 CDADMM O=C([O-])c1ccc2c(c1)CC[N@H+](CC[C@H]1CCNC1=O)C2 ZINC001602416399 1175233916 /nfs/dbraw/zinc/23/39/16/1175233916.db2.gz RLSBGEAYXLJRSP-LLVKDONJSA-N -1 1 288.347 1.269 20 0 CDADMM O=C([O-])c1cccc2c1CN(CCOC(F)F)CC2 ZINC001602460260 1175247664 /nfs/dbraw/zinc/24/76/64/1175247664.db2.gz SWVCRPPPNIEAIT-UHFFFAOYSA-N -1 1 271.263 1.982 20 0 CDADMM O=C([O-])c1cncc(CN2CCC[C@H]2c2nnc[nH]2)c1 ZINC001602538356 1175279619 /nfs/dbraw/zinc/27/96/19/1175279619.db2.gz YPRPTODLUZJYSP-NSHDSACASA-N -1 1 273.296 1.235 20 0 CDADMM O=C([O-])c1coc(C(=O)Nc2cnn(-c3ccncc3)c2)c1 ZINC001602551445 1175290696 /nfs/dbraw/zinc/29/06/96/1175290696.db2.gz YPRLANTWFJNTOS-UHFFFAOYSA-N -1 1 298.258 1.811 20 0 CDADMM O=C([O-])c1occc1CN[C@@H]1COc2ccccc2[C@H]1O ZINC001602589665 1175311061 /nfs/dbraw/zinc/31/10/61/1175311061.db2.gz HNHIOTGMVWRLIM-DGCLKSJQSA-N -1 1 289.287 1.562 20 0 CDADMM CC(=O)CN(CC(C)C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001602916353 1175451798 /nfs/dbraw/zinc/45/17/98/1175451798.db2.gz HIBJBOCJPQMEOU-UHFFFAOYSA-N -1 1 291.311 1.147 20 0 CDADMM CC(=O)CN(CC(C)C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001602916353 1175451804 /nfs/dbraw/zinc/45/18/04/1175451804.db2.gz HIBJBOCJPQMEOU-UHFFFAOYSA-N -1 1 291.311 1.147 20 0 CDADMM CC(C)(C)C[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001603071815 1175486472 /nfs/dbraw/zinc/48/64/72/1175486472.db2.gz QNNMKDVXQBWUCR-SNVBAGLBSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)(C)C[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001603071815 1175486476 /nfs/dbraw/zinc/48/64/76/1175486476.db2.gz QNNMKDVXQBWUCR-SNVBAGLBSA-N -1 1 287.371 1.919 20 0 CDADMM C[C@@H](C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1)c1ccco1 ZINC001603146078 1175500299 /nfs/dbraw/zinc/50/02/99/1175500299.db2.gz MHHOROODJXYPOE-NWDGAFQWSA-N -1 1 294.351 1.391 20 0 CDADMM C[C@@H](C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1)c1ccco1 ZINC001603146080 1175500800 /nfs/dbraw/zinc/50/08/00/1175500800.db2.gz MHHOROODJXYPOE-VXGBXAGGSA-N -1 1 294.351 1.391 20 0 CDADMM CC(C)[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001603246411 1175527104 /nfs/dbraw/zinc/52/71/04/1175527104.db2.gz REAAAUSLSQJPQK-LLVKDONJSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)[C@@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001603246411 1175527112 /nfs/dbraw/zinc/52/71/12/1175527112.db2.gz REAAAUSLSQJPQK-LLVKDONJSA-N -1 1 287.371 1.919 20 0 CDADMM C[C@H](CCO)Sc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001603495871 1175559300 /nfs/dbraw/zinc/55/93/00/1175559300.db2.gz XAIGUYMJHBYFNT-SCSAIBSYSA-N -1 1 291.789 1.840 20 0 CDADMM C[C@H](Cc1ccsc1)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001603590135 1175571293 /nfs/dbraw/zinc/57/12/93/1175571293.db2.gz VRUVUKJWWUVRNO-MRVPVSSYSA-N -1 1 287.352 1.761 20 0 CDADMM C[C@H](Cc1ccsc1)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001603590135 1175571299 /nfs/dbraw/zinc/57/12/99/1175571299.db2.gz 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C[C@@H](O)C[C@@H]1COCCN1C(=O)c1c([O-])cccc1Cl ZINC000768550519 576295568 /nfs/dbraw/zinc/29/55/68/576295568.db2.gz FAIDATJNISTNOP-NXEZZACHSA-N -1 1 299.754 1.658 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1cccnn1 ZINC000768592853 576298673 /nfs/dbraw/zinc/29/86/73/576298673.db2.gz JOXLDRYORANEGJ-UHFFFAOYSA-N -1 1 287.323 1.334 20 0 CDADMM O=C([O-])c1cn(C[N@H+]2CCC[C@@H]2C2CCC2)nn1 ZINC000740252926 576451211 /nfs/dbraw/zinc/45/12/11/576451211.db2.gz GSMPIYDTZMBVMS-LLVKDONJSA-N -1 1 250.302 1.198 20 0 CDADMM O=C([O-])c1cn(CN2CCC[C@@H]2C2CCC2)nn1 ZINC000740252926 576451213 /nfs/dbraw/zinc/45/12/13/576451213.db2.gz GSMPIYDTZMBVMS-LLVKDONJSA-N -1 1 250.302 1.198 20 0 CDADMM CC1(C)CCC([N-]C(=O)C(F)(F)C(F)F)(C(N)=O)CC1 ZINC000760082947 576456923 /nfs/dbraw/zinc/45/69/23/576456923.db2.gz YVLSKKDBOGCVGV-UHFFFAOYSA-N -1 1 298.280 1.827 20 0 CDADMM COC(=O)[C@H](C[N-]C(=O)C(F)(F)F)CC(C)C ZINC000741718099 576569363 /nfs/dbraw/zinc/56/93/63/576569363.db2.gz MIYKQSGSMFEMRY-ZETCQYMHSA-N -1 1 255.236 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ZINC000705548083 601856737 /nfs/dbraw/zinc/85/67/37/601856737.db2.gz BHQCRGXUUBZANR-LLVKDONJSA-N -1 1 277.386 1.140 20 0 CDADMM C[C@@H](C1CC1)N(C(=O)CN[C@@H](C(=O)[O-])C(C)(C)C)C1CC1 ZINC000827213995 601875202 /nfs/dbraw/zinc/87/52/02/601875202.db2.gz VYNBHUARKIDZTC-HZMBPMFUSA-N -1 1 296.411 1.865 20 0 CDADMM COC(=O)[C@@H](c1ccccc1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000831084437 601912908 /nfs/dbraw/zinc/91/29/08/601912908.db2.gz KRYWEXQVVJRNBR-DOMZBBRYSA-N -1 1 277.320 1.697 20 0 CDADMM CCC[N@@H+](CC(=O)NC)Cc1ccc(C(=O)[O-])s1 ZINC000109601934 601954665 /nfs/dbraw/zinc/95/46/65/601954665.db2.gz NFCPIZPIGDNWIZ-UHFFFAOYSA-N -1 1 270.354 1.404 20 0 CDADMM CCCN(CC(=O)NC)Cc1ccc(C(=O)[O-])s1 ZINC000109601934 601954668 /nfs/dbraw/zinc/95/46/68/601954668.db2.gz NFCPIZPIGDNWIZ-UHFFFAOYSA-N -1 1 270.354 1.404 20 0 CDADMM C[C@H](CC(=O)[O-])C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000827280826 602071598 /nfs/dbraw/zinc/07/15/98/602071598.db2.gz MXEQCZUGJDLENW-ZJUUUORDSA-N -1 1 284.381 1.578 20 0 CDADMM O=C([O-])c1csc(NS(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000833343447 602118518 /nfs/dbraw/zinc/11/85/18/602118518.db2.gz FPJKFLVKHOHSBZ-QMMMGPOBSA-N -1 1 291.350 1.367 20 0 CDADMM COC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000826151070 607550067 /nfs/dbraw/zinc/55/00/67/607550067.db2.gz SECKTCZIWQKQDI-MRVPVSSYSA-N -1 1 293.352 1.083 20 0 CDADMM COC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000826151070 607550068 /nfs/dbraw/zinc/55/00/68/607550068.db2.gz SECKTCZIWQKQDI-MRVPVSSYSA-N -1 1 293.352 1.083 20 0 CDADMM C#Cc1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000095118316 607546737 /nfs/dbraw/zinc/54/67/37/607546737.db2.gz GQWBJXYQIAXHMY-UHFFFAOYSA-N -1 1 276.303 1.855 20 0 CDADMM C#Cc1cccc(NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000095118316 607546740 /nfs/dbraw/zinc/54/67/40/607546740.db2.gz GQWBJXYQIAXHMY-UHFFFAOYSA-N -1 1 276.303 1.855 20 0 CDADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)nc2)c[nH]1 ZINC000165815394 602156582 /nfs/dbraw/zinc/15/65/82/602156582.db2.gz GMOXUWJHHQHRKZ-UHFFFAOYSA-N -1 1 285.256 1.048 20 0 CDADMM C[C@@H]1CCC[C@@H](C)N1C(=O)CN[C@H](C(=O)[O-])C(C)(C)C ZINC000828239610 602224420 /nfs/dbraw/zinc/22/44/20/602224420.db2.gz PCRCDFQOACWFIK-NQBHXWOUSA-N -1 1 284.400 1.865 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)n1 ZINC000832899249 602310767 /nfs/dbraw/zinc/31/07/67/602310767.db2.gz LTUFCBYKPPEWHS-WOPDTQHZSA-N -1 1 291.351 1.708 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)n1 ZINC000832899249 602310771 /nfs/dbraw/zinc/31/07/71/602310771.db2.gz LTUFCBYKPPEWHS-WOPDTQHZSA-N -1 1 291.351 1.708 20 0 CDADMM CC1CCN(CC(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC000818102497 602391371 /nfs/dbraw/zinc/39/13/71/602391371.db2.gz RMUSQXGHVKPAKL-UHFFFAOYSA-N -1 1 290.363 1.984 20 0 CDADMM O=C([O-])Nc1ccc(C(=O)NCc2c[nH]nn2)c(Cl)c1 ZINC000832833372 603952689 /nfs/dbraw/zinc/95/26/89/603952689.db2.gz KOPMGOPPZJWMIU-UHFFFAOYSA-N -1 1 295.686 1.478 20 0 CDADMM CC[C@@H](C(=O)N1C[C@H](C(=O)[O-])c2ccccc21)N(C)C ZINC000828588030 604267447 /nfs/dbraw/zinc/26/74/47/604267447.db2.gz ZCNVBTMDQIABOS-RYUDHWBXSA-N -1 1 276.336 1.542 20 0 CDADMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cn1 ZINC000164572352 604403458 /nfs/dbraw/zinc/40/34/58/604403458.db2.gz LDRLORBGXKXHRK-UHFFFAOYSA-N -1 1 298.345 1.951 20 0 CDADMM COCCCC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833723610 604661451 /nfs/dbraw/zinc/66/14/51/604661451.db2.gz RLEFTMVOQDWYDW-UHFFFAOYSA-N -1 1 277.280 1.626 20 0 CDADMM CC(C)(C)n1cc(CN2CCC([C@H](O)C(=O)[O-])CC2)cn1 ZINC000833453244 604763792 /nfs/dbraw/zinc/76/37/92/604763792.db2.gz ZVZSOISLIDJDKR-ZDUSSCGKSA-N -1 1 295.383 1.296 20 0 CDADMM CC(C)(C)[C@H](NCc1ccc(C(=O)[O-])cc1F)C(N)=O ZINC000833446676 604765902 /nfs/dbraw/zinc/76/59/02/604765902.db2.gz JJZAHOAIEWYEJQ-LLVKDONJSA-N -1 1 282.315 1.514 20 0 CDADMM C[C@@H]1[C@H](C)N(C(=O)Nc2cccc(C(=O)[O-])c2)CCN1C ZINC000833583628 604803336 /nfs/dbraw/zinc/80/33/36/604803336.db2.gz JXFFMUTYUAGFCE-MNOVXSKESA-N -1 1 291.351 1.941 20 0 CDADMM O=C([O-])c1ccc(C(=O)OCCc2c[nH]nn2)cc1F ZINC000833350518 604886756 /nfs/dbraw/zinc/88/67/56/604886756.db2.gz YZLZWJMCENBSAY-UHFFFAOYSA-N -1 1 279.227 1.042 20 0 CDADMM O=C([O-])c1ccc(C(=O)OCCc2cnn[nH]2)cc1F ZINC000833350518 604886758 /nfs/dbraw/zinc/88/67/58/604886758.db2.gz YZLZWJMCENBSAY-UHFFFAOYSA-N -1 1 279.227 1.042 20 0 CDADMM CC(C)(C)[C@@H](NCC(=O)Nc1ccc(O)cc1)C(=O)[O-] ZINC000833422516 604954757 /nfs/dbraw/zinc/95/47/57/604954757.db2.gz FHVOVNUZFOOJPL-LBPRGKRZSA-N -1 1 280.324 1.420 20 0 CDADMM O=C([O-])C[C@H]1CCCN1Cn1c(=O)oc2ccccc21 ZINC000833212200 604983535 /nfs/dbraw/zinc/98/35/35/604983535.db2.gz VBTYXDOCBPZGLS-SNVBAGLBSA-N -1 1 276.292 1.491 20 0 CDADMM CC(=O)Nc1ccccc1CN[C@H](C(=O)[O-])c1cccnc1 ZINC000825917248 605003760 /nfs/dbraw/zinc/00/37/60/605003760.db2.gz HCCWKFXNXYENEU-HNNXBMFYSA-N -1 1 299.330 1.956 20 0 CDADMM C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000833627787 605089792 /nfs/dbraw/zinc/08/97/92/605089792.db2.gz UPEJWUVPDWAYCW-NPZBDFSRSA-N -1 1 294.395 1.476 20 0 CDADMM CC(C)CC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833474041 605098077 /nfs/dbraw/zinc/09/80/77/605098077.db2.gz SXJXHCACDLRICI-LLVKDONJSA-N -1 1 256.346 1.040 20 0 CDADMM CCC(CC)CC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833643145 605100349 /nfs/dbraw/zinc/10/03/49/605100349.db2.gz ZQJPMDDTESQUQC-GFCCVEGCSA-N -1 1 284.400 1.820 20 0 CDADMM C[C@H]1CN(C(=O)[C@@H]2CC=CCC2)CCN1CCC(=O)[O-] ZINC000833618439 605256307 /nfs/dbraw/zinc/25/63/07/605256307.db2.gz OAGMJRRZRFSCKD-QWHCGFSZSA-N -1 1 280.368 1.350 20 0 CDADMM C[C@H]1CN(Cc2ccc(Cl)cn2)C[C@@H]1C(=O)[O-] ZINC000703870211 605349408 /nfs/dbraw/zinc/34/94/08/605349408.db2.gz YZIIWOMPBLXYJV-KWQFWETISA-N -1 1 254.717 1.888 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000823478129 606121284 /nfs/dbraw/zinc/12/12/84/606121284.db2.gz GZXKQNMNNWKIRO-TXEJJXNPSA-N -1 1 298.350 1.524 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000823478129 606121285 /nfs/dbraw/zinc/12/12/85/606121285.db2.gz GZXKQNMNNWKIRO-TXEJJXNPSA-N -1 1 298.350 1.524 20 0 CDADMM CC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819783420 606136148 /nfs/dbraw/zinc/13/61/48/606136148.db2.gz XBEULNKSZFFQQO-ZCFIWIBFSA-N -1 1 266.282 1.063 20 0 CDADMM CC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819783420 606136149 /nfs/dbraw/zinc/13/61/49/606136149.db2.gz XBEULNKSZFFQQO-ZCFIWIBFSA-N -1 1 266.282 1.063 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1C[C@@H]1C1CC1 ZINC000823289737 606293708 /nfs/dbraw/zinc/29/37/08/606293708.db2.gz OCQUJAHHDYCMRU-ZJUUUORDSA-N -1 1 285.307 1.557 20 0 CDADMM C[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820704898 606488665 /nfs/dbraw/zinc/48/86/65/606488665.db2.gz QLMUIVJEKFNKEV-MRVPVSSYSA-N -1 1 277.353 1.943 20 0 CDADMM C[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820704898 606488667 /nfs/dbraw/zinc/48/86/67/606488667.db2.gz QLMUIVJEKFNKEV-MRVPVSSYSA-N -1 1 277.353 1.943 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000820390789 606494839 /nfs/dbraw/zinc/49/48/39/606494839.db2.gz KOGYHASXPPVATL-LURJTMIESA-N -1 1 263.326 1.457 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000820390789 606494840 /nfs/dbraw/zinc/49/48/40/606494840.db2.gz KOGYHASXPPVATL-LURJTMIESA-N -1 1 263.326 1.457 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1C[C@@H]2CCC[C@H]21 ZINC000823483751 606568681 /nfs/dbraw/zinc/56/86/81/606568681.db2.gz LYMQSBBRRVQLAB-JGVFFNPUSA-N -1 1 275.337 1.553 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1C[C@@H]2CCC[C@H]21 ZINC000823483751 606568682 /nfs/dbraw/zinc/56/86/82/606568682.db2.gz LYMQSBBRRVQLAB-JGVFFNPUSA-N -1 1 275.337 1.553 20 0 CDADMM CC1(C)CCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820601183 606569062 /nfs/dbraw/zinc/56/90/62/606569062.db2.gz DEWGIBJHZSJXRU-UHFFFAOYSA-N -1 1 263.326 1.553 20 0 CDADMM CC1(C)CCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820601183 606569064 /nfs/dbraw/zinc/56/90/64/606569064.db2.gz DEWGIBJHZSJXRU-UHFFFAOYSA-N -1 1 263.326 1.553 20 0 CDADMM CCC/C=C/C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821040386 606648674 /nfs/dbraw/zinc/64/86/74/606648674.db2.gz LAGGWLXCAUMSBP-SNAWJCMRSA-N -1 1 273.296 1.661 20 0 CDADMM CCC/C=C/C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821040386 606648675 /nfs/dbraw/zinc/64/86/75/606648675.db2.gz LAGGWLXCAUMSBP-SNAWJCMRSA-N -1 1 273.296 1.661 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1C1CC1 ZINC000823436491 606649909 /nfs/dbraw/zinc/64/99/09/606649909.db2.gz XZDFMAMHQBXFEY-MNOVXSKESA-N -1 1 285.307 1.351 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1C1CC1 ZINC000823436491 606649910 /nfs/dbraw/zinc/64/99/10/606649910.db2.gz XZDFMAMHQBXFEY-MNOVXSKESA-N -1 1 285.307 1.351 20 0 CDADMM Cc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(C)[nH]1 ZINC000822184701 606652034 /nfs/dbraw/zinc/65/20/34/606652034.db2.gz ZUUHVOSBVZBOLK-UHFFFAOYSA-N -1 1 298.306 1.564 20 0 CDADMM Cc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(C)[nH]1 ZINC000822184701 606652035 /nfs/dbraw/zinc/65/20/35/606652035.db2.gz ZUUHVOSBVZBOLK-UHFFFAOYSA-N -1 1 298.306 1.564 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CC=CCC1 ZINC000823435811 606652343 /nfs/dbraw/zinc/65/23/43/606652343.db2.gz ALLICDCSZKZSPB-NSHDSACASA-N -1 1 285.307 1.661 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CC=CCC1 ZINC000823435811 606652344 /nfs/dbraw/zinc/65/23/44/606652344.db2.gz ALLICDCSZKZSPB-NSHDSACASA-N -1 1 285.307 1.661 20 0 CDADMM Cc1ccccc1CCCn1cccc(-c2nn[n-]n2)c1=O ZINC000822356444 607124597 /nfs/dbraw/zinc/12/45/97/607124597.db2.gz SUCGKBBNWVLIPB-UHFFFAOYSA-N -1 1 295.346 1.970 20 0 CDADMM C[C@@H](O)CCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000095153357 607126988 /nfs/dbraw/zinc/12/69/88/607126988.db2.gz MJQXUFVHBGMYJF-SECBINFHSA-N -1 1 284.323 1.598 20 0 CDADMM C[C@@H](O)CCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000095153357 607126989 /nfs/dbraw/zinc/12/69/89/607126989.db2.gz MJQXUFVHBGMYJF-SECBINFHSA-N -1 1 284.323 1.598 20 0 CDADMM C[C@H]1COCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000825005992 607822707 /nfs/dbraw/zinc/82/27/07/607822707.db2.gz FHWAVOVWWAVVGC-MRVPVSSYSA-N -1 1 294.746 1.388 20 0 CDADMM C[C@H]1COCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000825005992 607822708 /nfs/dbraw/zinc/82/27/08/607822708.db2.gz FHWAVOVWWAVVGC-MRVPVSSYSA-N -1 1 294.746 1.388 20 0 CDADMM c1cc(Nc2ccc3c(c2)OCCO3)nc(-c2nnn[n-]2)c1 ZINC000826517890 607895108 /nfs/dbraw/zinc/89/51/08/607895108.db2.gz SFSKJBYGFHYBID-UHFFFAOYSA-N -1 1 296.290 1.777 20 0 CDADMM c1cc(Nc2ccc3c(c2)OCCO3)nc(-c2nn[n-]n2)c1 ZINC000826517890 607895109 /nfs/dbraw/zinc/89/51/09/607895109.db2.gz SFSKJBYGFHYBID-UHFFFAOYSA-N -1 1 296.290 1.777 20 0 CDADMM O[C@@H]1Cc2ccccc2[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000826507327 607896767 /nfs/dbraw/zinc/89/67/67/607896767.db2.gz MQZMJCHNBDBIHO-TZMCWYRMSA-N -1 1 294.318 1.332 20 0 CDADMM O[C@@H]1Cc2ccccc2[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000826507327 607896768 /nfs/dbraw/zinc/89/67/68/607896768.db2.gz MQZMJCHNBDBIHO-TZMCWYRMSA-N -1 1 294.318 1.332 20 0 CDADMM Cc1nn(C)cc1[C@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000826334099 607898211 /nfs/dbraw/zinc/89/82/11/607898211.db2.gz HQQHDNDEKAMPAB-QMMMGPOBSA-N -1 1 284.327 1.477 20 0 CDADMM Cc1nn(C)cc1[C@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000826334099 607898212 /nfs/dbraw/zinc/89/82/12/607898212.db2.gz HQQHDNDEKAMPAB-QMMMGPOBSA-N -1 1 284.327 1.477 20 0 CDADMM Clc1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826353465 607988027 /nfs/dbraw/zinc/98/80/27/607988027.db2.gz QIPNVDIJYWABOB-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM Clc1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826353465 607988028 /nfs/dbraw/zinc/98/80/28/607988028.db2.gz QIPNVDIJYWABOB-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM Cc1cccn2cc(Cn3ccnc3-c3nnn[n-]3)nc12 ZINC000826308106 608012866 /nfs/dbraw/zinc/01/28/66/608012866.db2.gz KAVLAKCERLZKDE-UHFFFAOYSA-N -1 1 280.295 1.068 20 0 CDADMM Cc1cccn2cc(Cn3ccnc3-c3nn[n-]n3)nc12 ZINC000826308106 608012867 /nfs/dbraw/zinc/01/28/67/608012867.db2.gz KAVLAKCERLZKDE-UHFFFAOYSA-N -1 1 280.295 1.068 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@@H]2CC23CCCCC3)n1 ZINC000826525018 608195064 /nfs/dbraw/zinc/19/50/64/608195064.db2.gz SHIKWXXDGMEORC-SECBINFHSA-N -1 1 271.328 1.791 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@@H]2CC23CCCCC3)n1 ZINC000826525018 608195065 /nfs/dbraw/zinc/19/50/65/608195065.db2.gz SHIKWXXDGMEORC-SECBINFHSA-N -1 1 271.328 1.791 20 0 CDADMM C[C@@]1(Nc2cccc(-c3nnn[n-]3)n2)CCCOC1 ZINC000824839073 608244550 /nfs/dbraw/zinc/24/45/50/608244550.db2.gz YEZQGIAQNUTXKZ-GFCCVEGCSA-N -1 1 260.301 1.243 20 0 CDADMM C[C@@]1(Nc2cccc(-c3nn[n-]n3)n2)CCCOC1 ZINC000824839073 608244551 /nfs/dbraw/zinc/24/45/51/608244551.db2.gz YEZQGIAQNUTXKZ-GFCCVEGCSA-N -1 1 260.301 1.243 20 0 CDADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)Cc2ccccc21 ZINC000824994859 608389458 /nfs/dbraw/zinc/38/94/58/608389458.db2.gz WDAIZFRRRDAQME-SNVBAGLBSA-N -1 1 293.334 1.780 20 0 CDADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)Cc2ccccc21 ZINC000824994859 608389460 /nfs/dbraw/zinc/38/94/60/608389460.db2.gz WDAIZFRRRDAQME-SNVBAGLBSA-N -1 1 293.334 1.780 20 0 CDADMM CCCCCSc1ccc(-c2nn[n-]n2)nn1 ZINC000825275982 608412871 /nfs/dbraw/zinc/41/28/71/608412871.db2.gz KOKGVHPXIALPHA-UHFFFAOYSA-N -1 1 250.331 1.939 20 0 CDADMM Cn1nccc1COc1cccc(F)c1-c1nnn[n-]1 ZINC000826366364 608399998 /nfs/dbraw/zinc/39/99/98/608399998.db2.gz FIFMLGVNAOQXJQ-UHFFFAOYSA-N -1 1 274.259 1.318 20 0 CDADMM Cn1nccc1COc1cccc(F)c1-c1nn[n-]n1 ZINC000826366364 608399999 /nfs/dbraw/zinc/39/99/99/608399999.db2.gz FIFMLGVNAOQXJQ-UHFFFAOYSA-N -1 1 274.259 1.318 20 0 CDADMM CC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000824807324 608410265 /nfs/dbraw/zinc/41/02/65/608410265.db2.gz IHEHNRGARCMZPJ-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000824807324 608410267 /nfs/dbraw/zinc/41/02/67/608410267.db2.gz IHEHNRGARCMZPJ-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CCCCCSc1ccc(-c2nnn[n-]2)nn1 ZINC000825275982 608412870 /nfs/dbraw/zinc/41/28/70/608412870.db2.gz KOKGVHPXIALPHA-UHFFFAOYSA-N -1 1 250.331 1.939 20 0 CDADMM Cc1c(Nc2ccc(-c3nnn[n-]3)nn2)cnn1CC(C)C ZINC000826242674 608440396 /nfs/dbraw/zinc/44/03/96/608440396.db2.gz ANKZQLOBEGIEDN-UHFFFAOYSA-N -1 1 299.342 1.561 20 0 CDADMM Cc1c(Nc2ccc(-c3nn[n-]n3)nn2)cnn1CC(C)C ZINC000826242674 608440398 /nfs/dbraw/zinc/44/03/98/608440398.db2.gz ANKZQLOBEGIEDN-UHFFFAOYSA-N -1 1 299.342 1.561 20 0 CDADMM CC1(C)CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000824802001 608554108 /nfs/dbraw/zinc/55/41/08/608554108.db2.gz JIBIZIZDIXXHFE-JTQLQIEISA-N -1 1 286.339 1.570 20 0 CDADMM CC1(C)CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000824802001 608554110 /nfs/dbraw/zinc/55/41/10/608554110.db2.gz JIBIZIZDIXXHFE-JTQLQIEISA-N -1 1 286.339 1.570 20 0 CDADMM C[C@@H]1C[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CCO1 ZINC000824891934 608800403 /nfs/dbraw/zinc/80/04/03/608800403.db2.gz CNERLUWWXSNACX-HTQZYQBOSA-N -1 1 294.746 1.895 20 0 CDADMM C[C@@H]1C[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CCO1 ZINC000824891934 608800404 /nfs/dbraw/zinc/80/04/04/608800404.db2.gz CNERLUWWXSNACX-HTQZYQBOSA-N -1 1 294.746 1.895 20 0 CDADMM CON(Cc1ccccc1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826166704 609143010 /nfs/dbraw/zinc/14/30/10/609143010.db2.gz XBFVJPGKUPITQE-UHFFFAOYSA-N -1 1 296.334 1.825 20 0 CDADMM CON(Cc1ccccc1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826166704 609143012 /nfs/dbraw/zinc/14/30/12/609143012.db2.gz XBFVJPGKUPITQE-UHFFFAOYSA-N -1 1 296.334 1.825 20 0 CDADMM C[C@H]1CC(C(=O)n2ncc(-c3nn[n-]n3)c2N)C[C@H](C)C1 ZINC000824875268 609150092 /nfs/dbraw/zinc/15/00/92/609150092.db2.gz KHKKBMIUXHYZHR-HTQZYQBOSA-N -1 1 289.343 1.358 20 0 CDADMM CC(C)(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824080165 609601795 /nfs/dbraw/zinc/60/17/95/609601795.db2.gz VMVWZZHLSGWKII-SECBINFHSA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824080165 609601796 /nfs/dbraw/zinc/60/17/96/609601796.db2.gz VMVWZZHLSGWKII-SECBINFHSA-N -1 1 273.344 1.529 20 0 CDADMM CC[C@H]1CN(c2cc(Cl)[n-]c(=O)n2)[C@@H](C)CO1 ZINC000858605191 617201600 /nfs/dbraw/zinc/20/16/00/617201600.db2.gz PKIRHKFTPKUOCO-YUMQZZPRSA-N -1 1 257.721 1.839 20 0 CDADMM NC(=O)C[C@@H]1CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000807911225 617357105 /nfs/dbraw/zinc/35/71/05/617357105.db2.gz MCXYOOSKAUBXGH-QMMMGPOBSA-N -1 1 282.727 1.383 20 0 CDADMM CCN(CC)C(=O)C[N-]c1nnc(Cc2ccccc2)o1 ZINC000892011536 617410180 /nfs/dbraw/zinc/41/01/80/617410180.db2.gz ASZXQKYTYROMJT-UHFFFAOYSA-N -1 1 288.351 1.941 20 0 CDADMM CC(=O)N[C@@H](C)[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000953595739 613958807 /nfs/dbraw/zinc/95/88/07/613958807.db2.gz QXNIZUDVVRIIFZ-JQWIXIFHSA-N -1 1 291.351 1.307 20 0 CDADMM CC(C)CC(=O)N1CCCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC000959848688 613990209 /nfs/dbraw/zinc/99/02/09/613990209.db2.gz OGTNGBQJGYWSRR-NSHDSACASA-N -1 1 295.387 1.027 20 0 CDADMM COCc1nc(NCCOCC2CCC2)cc(=O)[n-]1 ZINC000893195461 617456304 /nfs/dbraw/zinc/45/63/04/617456304.db2.gz ZIQNMAPIRRQIMT-UHFFFAOYSA-N -1 1 267.329 1.557 20 0 CDADMM COCc1nc(N[C@@H](CO)c2ccsc2)cc(=O)[n-]1 ZINC000893234397 617479000 /nfs/dbraw/zinc/47/90/00/617479000.db2.gz YUNUXGWCVFOCGK-VIFPVBQESA-N -1 1 281.337 1.536 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cnc2n1CCC2 ZINC000891613056 617504548 /nfs/dbraw/zinc/50/45/48/617504548.db2.gz DPXPCNKAFAWQFJ-UHFFFAOYSA-N -1 1 299.334 1.456 20 0 CDADMM CSC1(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CC1 ZINC000891617222 617506402 /nfs/dbraw/zinc/50/64/02/617506402.db2.gz DXSVANFEUXHJJH-UHFFFAOYSA-N -1 1 279.365 1.895 20 0 CDADMM COCc1nc(N[C@@H](C)CCSC)cc(=O)[n-]1 ZINC000892606104 617531601 /nfs/dbraw/zinc/53/16/01/617531601.db2.gz YFGSFFAJAXMUBK-QMMMGPOBSA-N -1 1 257.359 1.882 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cn[nH]c1 ZINC000035764421 617536745 /nfs/dbraw/zinc/53/67/45/617536745.db2.gz POISJSUMFUMVSH-UHFFFAOYSA-N -1 1 261.285 1.177 20 0 CDADMM COCc1nc(NC2CCC(NC(C)=O)CC2)cc(=O)[n-]1 ZINC000892263482 617599832 /nfs/dbraw/zinc/59/98/32/617599832.db2.gz XABZMHLORIEORO-UHFFFAOYSA-N -1 1 294.355 1.188 20 0 CDADMM COCc1nc(N[C@@H]2C[C@H](OC)C2(C)C)cc(=O)[n-]1 ZINC000892871264 617846839 /nfs/dbraw/zinc/84/68/39/617846839.db2.gz URHNYAZVUWPTPO-BDAKNGLRSA-N -1 1 267.329 1.554 20 0 CDADMM COCc1nc(N2CCS[C@@H](C)CC2)cc(=O)[n-]1 ZINC000893480343 617974465 /nfs/dbraw/zinc/97/44/65/617974465.db2.gz LJIQSDCXNMIJGJ-VIFPVBQESA-N -1 1 269.370 1.660 20 0 CDADMM O=C(N=S1(=O)CCCC1)c1nc[n-]c1C(F)(F)F ZINC000925900930 617994574 /nfs/dbraw/zinc/99/45/74/617994574.db2.gz UHHBCEMHUOHFDW-UHFFFAOYSA-N -1 1 281.259 1.831 20 0 CDADMM COCc1nc(NCCC[C@H](C)CO)cc(=O)[n-]1 ZINC000893008094 618049660 /nfs/dbraw/zinc/04/96/60/618049660.db2.gz KCTZNALVVNPYHY-VIFPVBQESA-N -1 1 255.318 1.149 20 0 CDADMM COCc1nc(NC[C@H]2CCOC[C@H]2C)cc(=O)[n-]1 ZINC000893836894 618069858 /nfs/dbraw/zinc/06/98/58/618069858.db2.gz WCSPOBBKOIKWRP-NXEZZACHSA-N -1 1 267.329 1.413 20 0 CDADMM COCc1nc(N[C@@H]2CCOC2(C)C)cc(=O)[n-]1 ZINC000894034465 618251810 /nfs/dbraw/zinc/25/18/10/618251810.db2.gz OSQMLRNXZPUOTE-MRVPVSSYSA-N -1 1 253.302 1.308 20 0 CDADMM O=C([O-])C[C@H](NC(=O)c1[nH]nc2c1CCC2)C1CCCC1 ZINC000910561998 618259777 /nfs/dbraw/zinc/25/97/77/618259777.db2.gz AGDLEEVAJYAXLT-LBPRGKRZSA-N -1 1 291.351 1.662 20 0 CDADMM O=C([O-])C[C@@H](NC(=O)CN1CCCC1)C1CCCC1 ZINC000910566950 618266356 /nfs/dbraw/zinc/26/63/56/618266356.db2.gz JKZJZXHDXQSPQQ-GFCCVEGCSA-N -1 1 268.357 1.232 20 0 CDADMM CC[C@H](C(=O)[O-])C(=O)N1CCN(C)CC12CCCCC2 ZINC000910688568 618432279 /nfs/dbraw/zinc/43/22/79/618432279.db2.gz WHVVOPOKVZWBAP-LBPRGKRZSA-N -1 1 282.384 1.574 20 0 CDADMM O=C([O-])CN(C(=O)c1cccc2[nH]cnc21)C1CCC1 ZINC000902033271 618532007 /nfs/dbraw/zinc/53/20/07/618532007.db2.gz GCNGJLPHVXTHPY-UHFFFAOYSA-N -1 1 273.292 1.642 20 0 CDADMM C[C@@H]1CN(C(=O)c2c[nH]cc3ncnc2-3)C[C@H]1CC(=O)[O-] ZINC000910858506 618548460 /nfs/dbraw/zinc/54/84/60/618548460.db2.gz XXWJIHLMTRBYSN-RKDXNWHRSA-N -1 1 288.307 1.141 20 0 CDADMM COCc1nc(NC[C@H]2CC[C@@H](C)O2)cc(=O)[n-]1 ZINC000894147629 618628995 /nfs/dbraw/zinc/62/89/95/618628995.db2.gz BBKMNDVBSYYDRB-RKDXNWHRSA-N -1 1 253.302 1.308 20 0 CDADMM COCc1nc(N2CCO[C@]3(CCSC3)C2)cc(=O)[n-]1 ZINC000894344701 618802976 /nfs/dbraw/zinc/80/29/76/618802976.db2.gz IUTYYJLZUAOFQY-CYBMUJFWSA-N -1 1 297.380 1.041 20 0 CDADMM C[C@H](C(=O)NCCCCCCCC(=O)[O-])N(C)C ZINC000909468232 619345333 /nfs/dbraw/zinc/34/53/33/619345333.db2.gz RZSBJMRHIPLRQK-LLVKDONJSA-N -1 1 258.362 1.478 20 0 CDADMM O=C([O-])[C@@H]1CN(C(=O)CCc2cnc[nH]2)c2ccccc21 ZINC000909580557 620457840 /nfs/dbraw/zinc/45/78/40/620457840.db2.gz YJKRRCDOBYNNRC-GFCCVEGCSA-N -1 1 285.303 1.557 20 0 CDADMM Cc1nc2cccc(C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])c2[nH]1 ZINC000909652858 620566467 /nfs/dbraw/zinc/56/64/67/620566467.db2.gz SDEOIOXIMCIUSP-SFYZADRCSA-N -1 1 275.308 1.710 20 0 CDADMM CCCCS[C@@H](C)C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898750912 621863574 /nfs/dbraw/zinc/86/35/74/621863574.db2.gz JPHIGNZEBWYFQP-QMMMGPOBSA-N -1 1 285.369 1.426 20 0 CDADMM O=C(NCc1nc([O-])cc(=O)[nH]1)C1(c2ccccc2)CCC1 ZINC000898751605 621864275 /nfs/dbraw/zinc/86/42/75/621864275.db2.gz NDFXLZVEGMRXMT-UHFFFAOYSA-N -1 1 299.330 1.626 20 0 CDADMM CC(C)c1nsc([N-]C(=O)c2cccn3nnnc23)n1 ZINC000899195086 622089778 /nfs/dbraw/zinc/08/97/78/622089778.db2.gz OQRSSCAGPPYIFI-UHFFFAOYSA-N -1 1 289.324 1.352 20 0 CDADMM Cn1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)n1 ZINC000900028216 622658561 /nfs/dbraw/zinc/65/85/61/622658561.db2.gz XWIFOCOERFGTCA-UHFFFAOYSA-N -1 1 259.269 1.045 20 0 CDADMM C[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)CC(C)(C)O1 ZINC000900388324 623023676 /nfs/dbraw/zinc/02/36/76/623023676.db2.gz MNDWUEUBJKNPCM-SECBINFHSA-N -1 1 291.351 1.699 20 0 CDADMM CCCN(CC(=O)NC)Cc1cccc(C(=O)[O-])c1 ZINC000042405266 623883898 /nfs/dbraw/zinc/88/38/98/623883898.db2.gz ICDRUEVGCVLDPX-UHFFFAOYSA-N -1 1 264.325 1.343 20 0 CDADMM Cc1nc2cccc(C(=O)NCCCC(=O)[O-])c2[nH]1 ZINC000901437885 624249582 /nfs/dbraw/zinc/24/95/82/624249582.db2.gz JMHIDZQQTRDLQQ-UHFFFAOYSA-N -1 1 261.281 1.466 20 0 CDADMM CN1CCCC[C@H]1C(=O)NC(C)(C)CCC(=O)[O-] ZINC000901447475 624258256 /nfs/dbraw/zinc/25/82/56/624258256.db2.gz JKZVNLFJUVUVHC-JTQLQIEISA-N -1 1 256.346 1.230 20 0 CDADMM O=C([O-])c1cc(CN2CCOC[C@H](C3CCC3)C2)on1 ZINC000901474959 624262765 /nfs/dbraw/zinc/26/27/65/624262765.db2.gz ZPWYMSYVEIJODZ-LLVKDONJSA-N -1 1 280.324 1.621 20 0 CDADMM C[C@@H]1CCc2n[nH]c(C(=O)NCCCCC(=O)[O-])c2C1 ZINC000901485034 624312990 /nfs/dbraw/zinc/31/29/90/624312990.db2.gz FZJSQNIBWUJVKO-SECBINFHSA-N -1 1 279.340 1.519 20 0 CDADMM C[C@@H]1CN(C(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)C[C@H]1C(=O)[O-] ZINC000901653437 624394595 /nfs/dbraw/zinc/39/45/95/624394595.db2.gz UQVKGBXHFGBJHD-MRGUHSIWSA-N -1 1 291.351 1.255 20 0 CDADMM COCCn1c(=O)cc([O-])nc1SCC(=O)C1CCC1 ZINC000901656344 624396248 /nfs/dbraw/zinc/39/62/48/624396248.db2.gz ZLTRVRGZIREQTC-UHFFFAOYSA-N -1 1 298.364 1.057 20 0 CDADMM CC(C)(CCNC(=O)c1cccc2nc[nH]c21)C(=O)[O-] ZINC000901691417 624408660 /nfs/dbraw/zinc/40/86/60/624408660.db2.gz XWCVHPDWULWFGR-UHFFFAOYSA-N -1 1 275.308 1.794 20 0 CDADMM CC[C@H](C)NC(=O)[C@H](C)NCc1cc(C(=O)[O-])oc1C ZINC000902193225 624548752 /nfs/dbraw/zinc/54/87/52/624548752.db2.gz XVJSSIYRKQWRDF-IUCAKERBSA-N -1 1 282.340 1.679 20 0 CDADMM COC[C@H](CC(C)(C)C)NCc1cc(C(=O)[O-])no1 ZINC000902404423 624773037 /nfs/dbraw/zinc/77/30/37/624773037.db2.gz GGNAEXWZVGUXAE-VIFPVBQESA-N -1 1 270.329 1.914 20 0 CDADMM O=C([O-])[C@@H]1[C@@H]2CCN(Cc3cn(-c4ccccc4)nn3)C[C@@H]21 ZINC000902553411 624941906 /nfs/dbraw/zinc/94/19/06/624941906.db2.gz CAOZFCHTKGWEEL-QLFBSQMISA-N -1 1 298.346 1.420 20 0 CDADMM Cc1cn(C)nc1CN1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000903706516 626059828 /nfs/dbraw/zinc/05/98/28/626059828.db2.gz IMDZETSZXFJGBD-HNNXBMFYSA-N -1 1 285.347 1.913 20 0 CDADMM O=C([O-])c1cccc2c1OCCN(CCc1cn[nH]c1)C2 ZINC000903921739 626147573 /nfs/dbraw/zinc/14/75/73/626147573.db2.gz QVBCRFVOGBMWJD-UHFFFAOYSA-N -1 1 287.319 1.545 20 0 CDADMM COc1ccc(C[N@H+]2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]2C)nn1 ZINC000903951451 626165251 /nfs/dbraw/zinc/16/52/51/626165251.db2.gz KGHROYMPXZEXAZ-ICUOPCATSA-N -1 1 293.367 1.805 20 0 CDADMM O=C([O-])c1ccc(CNCc2cnn(CCF)c2)cc1 ZINC000903988841 626175310 /nfs/dbraw/zinc/17/53/10/626175310.db2.gz 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ZINC001605640963 1163631854 /nfs/dbraw/zinc/63/18/54/1163631854.db2.gz MWXIJKUABMKVLO-UHFFFAOYSA-N -1 1 284.279 1.724 20 0 CDADMM Cc1cc(C)c(C(=O)Nc2cccc(-c3nn[n-]n3)n2)o1 ZINC001605640963 1163631858 /nfs/dbraw/zinc/63/18/58/1163631858.db2.gz MWXIJKUABMKVLO-UHFFFAOYSA-N -1 1 284.279 1.724 20 0 CDADMM Cc1cc(N[C@H](C)c2ccc[nH]2)cc(-c2nnn[n-]2)n1 ZINC001605717703 1163649962 /nfs/dbraw/zinc/64/99/62/1163649962.db2.gz NYAZGHXGSNHMJS-SECBINFHSA-N -1 1 269.312 1.493 20 0 CDADMM Cc1cc(N[C@H](C)c2ccc[nH]2)cc(-c2nn[n-]n2)n1 ZINC001605717703 1163649967 /nfs/dbraw/zinc/64/99/67/1163649967.db2.gz NYAZGHXGSNHMJS-SECBINFHSA-N -1 1 269.312 1.493 20 0 CDADMM Cc1cc(NC[C@H]2CC(C)(C)CO2)cc(-c2nnn[n-]2)n1 ZINC001605732100 1163655386 /nfs/dbraw/zinc/65/53/86/1163655386.db2.gz UDPQLZOAJIBQKP-LLVKDONJSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(NC[C@H]2CC(C)(C)CO2)cc(-c2nn[n-]n2)n1 ZINC001605732100 1163655391 /nfs/dbraw/zinc/65/53/91/1163655391.db2.gz UDPQLZOAJIBQKP-LLVKDONJSA-N -1 1 288.355 1.797 20 0 CDADMM CCc1cc(=O)[n-]c(C[NH2+][C@H](CC(=O)[O-])C2CC2)n1 ZINC001605800175 1163674653 /nfs/dbraw/zinc/67/46/53/1163674653.db2.gz OAPVQAMQHGWLNA-SNVBAGLBSA-N -1 1 265.313 1.088 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1C[C@@H](C)[C@](C)(CO)C1 ZINC001605802654 1163674949 /nfs/dbraw/zinc/67/49/49/1163674949.db2.gz ANWIWEWNMBIYLW-YGRLFVJLSA-N -1 1 288.355 1.025 20 0 CDADMM CCc1cc(=O)[nH]c(CN2CC[C@@H](C(=O)[O-])C[C@H]2C)n1 ZINC001605799975 1163675686 /nfs/dbraw/zinc/67/56/86/1163675686.db2.gz KMPRHMBSUHGXPZ-NXEZZACHSA-N -1 1 279.340 1.430 20 0 CDADMM CCc1nc([C@H](C)NC(=O)C[C@H](C)CC(=O)[O-])n[nH]1 ZINC001605845656 1163686376 /nfs/dbraw/zinc/68/63/76/1163686376.db2.gz PCPSTSXHWFHJEZ-YUMQZZPRSA-N -1 1 268.317 1.045 20 0 CDADMM Cc1cccc(C)c1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001605909115 1163711315 /nfs/dbraw/zinc/71/13/15/1163711315.db2.gz ZKULKWIONGWCNM-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1cccc(C)c1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001605909115 1163711319 /nfs/dbraw/zinc/71/13/19/1163711319.db2.gz ZKULKWIONGWCNM-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1cccc(F)c1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001605916482 1163713539 /nfs/dbraw/zinc/71/35/39/1163713539.db2.gz HPXZUDKPZFDTIW-UHFFFAOYSA-N -1 1 284.298 1.743 20 0 CDADMM Cc1cccc(F)c1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001605916482 1163713546 /nfs/dbraw/zinc/71/35/46/1163713546.db2.gz HPXZUDKPZFDTIW-UHFFFAOYSA-N -1 1 284.298 1.743 20 0 CDADMM Cc1nc(CN(C)Cc2csc(-c3nn[n-]n3)c2)no1 ZINC001606042133 1163754961 /nfs/dbraw/zinc/75/49/61/1163754961.db2.gz OUIHYASDDCEUOD-UHFFFAOYSA-N -1 1 291.340 1.252 20 0 CDADMM Cc1nc(NCCc2cccc(O)c2)cc(-c2nnn[n-]2)n1 ZINC001606074164 1163763657 /nfs/dbraw/zinc/76/36/57/1163763657.db2.gz ARLXUMFAXGFZNO-UHFFFAOYSA-N -1 1 297.322 1.325 20 0 CDADMM Cc1nc(NCCc2cccc(O)c2)cc(-c2nn[n-]n2)n1 ZINC001606074164 1163763661 /nfs/dbraw/zinc/76/36/61/1163763661.db2.gz ARLXUMFAXGFZNO-UHFFFAOYSA-N -1 1 297.322 1.325 20 0 CDADMM Cc1nsc(NCC2(CCO)CC2)c1-c1nn[n-]n1 ZINC001606159467 1163791274 /nfs/dbraw/zinc/79/12/74/1163791274.db2.gz ZOAYQJVIMLNAAG-UHFFFAOYSA-N -1 1 280.357 1.206 20 0 CDADMM FC1(F)[C@H]2CCN(Cc3nc(-c4nnn[n-]4)cs3)C[C@H]21 ZINC001606300582 1163845834 /nfs/dbraw/zinc/84/58/34/1163845834.db2.gz IYLPGODKXNCYGB-NKWVEPMBSA-N -1 1 298.322 1.410 20 0 CDADMM FC1(F)[C@H]2CCN(Cc3nc(-c4nn[n-]n4)cs3)C[C@H]21 ZINC001606300582 1163845842 /nfs/dbraw/zinc/84/58/42/1163845842.db2.gz IYLPGODKXNCYGB-NKWVEPMBSA-N -1 1 298.322 1.410 20 0 CDADMM Fc1ccc(Cn2ccn3ncc(-c4nn[n-]n4)c23)cc1 ZINC001606319891 1163857699 /nfs/dbraw/zinc/85/76/99/1163857699.db2.gz XEDINYRLJAICMK-UHFFFAOYSA-N -1 1 283.270 1.503 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C=Cc1ccccc1F ZINC001606444875 1163902109 /nfs/dbraw/zinc/90/21/09/1163902109.db2.gz FGDBWYUBYFLOHK-AATRIKPKSA-N -1 1 299.269 1.138 20 0 CDADMM O=C([O-])c1ccc(NC(=O)c2cccc(F)c2O)nc1 ZINC001606500394 1163918182 /nfs/dbraw/zinc/91/81/82/1163918182.db2.gz FKRCEMIMDRCLFP-UHFFFAOYSA-N -1 1 276.223 1.877 20 0 CDADMM COC(CCNC(C)(C)c1cc(C(=O)[O-])on1)OC ZINC001606669129 1163952093 /nfs/dbraw/zinc/95/20/93/1163952093.db2.gz UUEMFZMKIOBXQX-UHFFFAOYSA-N -1 1 272.301 1.207 20 0 CDADMM O=C(NC[C@@H]1C=CCC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606720341 1163969671 /nfs/dbraw/zinc/96/96/71/1163969671.db2.gz WOVNRMWNQQJEIG-SECBINFHSA-N -1 1 285.311 1.349 20 0 CDADMM O=C(NC[C@@H]1C=CCC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606720341 1163969675 /nfs/dbraw/zinc/96/96/75/1163969675.db2.gz WOVNRMWNQQJEIG-SECBINFHSA-N -1 1 285.311 1.349 20 0 CDADMM O=C(NCC1CCC1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606723512 1163971253 /nfs/dbraw/zinc/97/12/53/1163971253.db2.gz PSZMCXMUYJEZLM-UHFFFAOYSA-N -1 1 293.277 1.675 20 0 CDADMM O=C(NCC1CCC1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606723512 1163971257 /nfs/dbraw/zinc/97/12/57/1163971257.db2.gz PSZMCXMUYJEZLM-UHFFFAOYSA-N -1 1 293.277 1.675 20 0 CDADMM CO[C@@H]1CN(C(=O)c2cccc(F)c2O)[C@](C)(C(=O)[O-])C1 ZINC001606765189 1163987814 /nfs/dbraw/zinc/98/78/14/1163987814.db2.gz LYWPUGZXCVNMGB-RTHLEPHNSA-N -1 1 297.282 1.236 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)C1=COCCC1 ZINC001606830774 1164006635 /nfs/dbraw/zinc/00/66/35/1164006635.db2.gz FCGLHYXMTBEFPL-UHFFFAOYSA-N -1 1 291.336 1.239 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cccc(F)c1F ZINC001606945202 1164036697 /nfs/dbraw/zinc/03/66/97/1164036697.db2.gz CWNIWMVKYSCWKC-UHFFFAOYSA-N -1 1 291.221 1.120 20 0 CDADMM O=C(OC[C@@]1(F)CCOC1)c1csc(-c2nnn[n-]2)c1 ZINC001606965395 1164041806 /nfs/dbraw/zinc/04/18/06/1164041806.db2.gz PRMVOCZZZXCTFY-LLVKDONJSA-N -1 1 298.299 1.214 20 0 CDADMM O=C(OC[C@@]1(F)CCOC1)c1csc(-c2nn[n-]n2)c1 ZINC001606965395 1164041809 /nfs/dbraw/zinc/04/18/09/1164041809.db2.gz PRMVOCZZZXCTFY-LLVKDONJSA-N -1 1 298.299 1.214 20 0 CDADMM O=c1c(-c2nn[n-]n2)cc2c(n1Cc1ccccc1)CCC2 ZINC001607089152 1164075025 /nfs/dbraw/zinc/07/50/25/1164075025.db2.gz IKLOMGCZYMUQAD-UHFFFAOYSA-N -1 1 293.330 1.565 20 0 CDADMM OC1(CCNc2ccc(Cl)c(-c3nnn[n-]3)n2)CCC1 ZINC001607098097 1164080262 /nfs/dbraw/zinc/08/02/62/1164080262.db2.gz JHVXONIPCVKNSG-UHFFFAOYSA-N -1 1 294.746 1.632 20 0 CDADMM OC1(CCNc2ccc(Cl)c(-c3nn[n-]n3)n2)CCC1 ZINC001607098097 1164080269 /nfs/dbraw/zinc/08/02/69/1164080269.db2.gz JHVXONIPCVKNSG-UHFFFAOYSA-N -1 1 294.746 1.632 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CC[C@H]3CSC[C@@H]3C2)c1 ZINC001607116737 1164095189 /nfs/dbraw/zinc/09/51/89/1164095189.db2.gz TYBWMILNWPHURR-UWVGGRQHSA-N -1 1 288.380 1.451 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CC[C@H]3CSC[C@@H]3C2)c1 ZINC001607116737 1164095195 /nfs/dbraw/zinc/09/51/95/1164095195.db2.gz TYBWMILNWPHURR-UWVGGRQHSA-N -1 1 288.380 1.451 20 0 CDADMM c1csc([C@H]2CCN(c3cccc(-c4nnn[n-]4)n3)C2)n1 ZINC001607116097 1164097177 /nfs/dbraw/zinc/09/71/77/1164097177.db2.gz BMMJVBNTYHPBCQ-VIFPVBQESA-N -1 1 299.363 1.712 20 0 CDADMM c1csc([C@H]2CCN(c3cccc(-c4nn[n-]n4)n3)C2)n1 ZINC001607116097 1164097183 /nfs/dbraw/zinc/09/71/83/1164097183.db2.gz BMMJVBNTYHPBCQ-VIFPVBQESA-N -1 1 299.363 1.712 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1Cn1cnc(-c2ccccc2)n1 ZINC001607125124 1164108036 /nfs/dbraw/zinc/10/80/36/1164108036.db2.gz MKUIZFVDGGFKGE-UHFFFAOYSA-N -1 1 293.290 1.767 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1Cn1cnc(-c2ccccc2)n1 ZINC001607125124 1164108037 /nfs/dbraw/zinc/10/80/37/1164108037.db2.gz MKUIZFVDGGFKGE-UHFFFAOYSA-N -1 1 293.290 1.767 20 0 CDADMM c1cnc([C@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)nc1 ZINC001607133711 1164111952 /nfs/dbraw/zinc/11/19/52/1164111952.db2.gz MNQMKTHFWDMBDY-LLVKDONJSA-N -1 1 295.310 1.010 20 0 CDADMM c1cnc([C@H](Nc2cncc(-c3nn[n-]n3)n2)C2CC2)nc1 ZINC001607133711 1164111955 /nfs/dbraw/zinc/11/19/55/1164111955.db2.gz MNQMKTHFWDMBDY-LLVKDONJSA-N -1 1 295.310 1.010 20 0 CDADMM Cc1cc2[nH]ncc2cc1S(=O)(=O)N[C@H](C)CC(=O)[O-] ZINC001607709309 1164276898 /nfs/dbraw/zinc/27/68/98/1164276898.db2.gz HTCUUQSYJVPAFM-MRVPVSSYSA-N -1 1 297.336 1.013 20 0 CDADMM Cc1ccccc1[C@H](N)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001607879045 1164320006 /nfs/dbraw/zinc/32/00/06/1164320006.db2.gz QKYTXJZAMRFXHL-WFASDCNBSA-N -1 1 290.363 1.612 20 0 CDADMM Cc1c[nH]cc1C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000346114786 1164342847 /nfs/dbraw/zinc/34/28/47/1164342847.db2.gz AGQPCNVOWZTCEV-UHFFFAOYSA-N -1 1 298.306 1.668 20 0 CDADMM O=C([O-])[C@@H](CF)NCc1ccccc1N1CCOCC1 ZINC001608532698 1164535381 /nfs/dbraw/zinc/53/53/81/1164535381.db2.gz HDBPHIOWWNODJQ-GFCCVEGCSA-N -1 1 282.315 1.036 20 0 CDADMM O=C([O-])C1(CN2CCOCC23CCCCC3)CC1 ZINC001608569564 1164550144 /nfs/dbraw/zinc/55/01/44/1164550144.db2.gz GVIXVFWZDRWWDH-UHFFFAOYSA-N -1 1 253.342 1.886 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)CN(Cc2cnc(C3CCC3)s2)C1 ZINC001608600820 1164567820 /nfs/dbraw/zinc/56/78/20/1164567820.db2.gz FXECNIOQQDKCQR-GHMZBOCLSA-N -1 1 296.392 1.678 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)CN(Cc2cc(O)cc(Cl)c2)C1 ZINC001608600845 1164569474 /nfs/dbraw/zinc/56/94/74/1164569474.db2.gz GCTCTCDRKUXRQO-BXKDBHETSA-N -1 1 285.727 1.313 20 0 CDADMM O=C([O-])Cc1ccccc1CN1CCO[C@@H]2COCC[C@@H]21 ZINC001608788319 1164637305 /nfs/dbraw/zinc/63/73/05/1164637305.db2.gz KOWMRWQNHGRUNF-LSDHHAIUSA-N -1 1 291.347 1.303 20 0 CDADMM O=C([O-])[C@]12CCC[C@H]1N(Cc1ncnn1CCF)CC2 ZINC001608825009 1164654597 /nfs/dbraw/zinc/65/45/97/1164654597.db2.gz RDYNBCUZYJLBSW-MFKMUULPSA-N -1 1 282.319 1.077 20 0 CDADMM O=C([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@](O)(CO)C2)c1 ZINC001608892513 1164678205 /nfs/dbraw/zinc/67/82/05/1164678205.db2.gz SUMGLXFOFXHACS-CQSZACIVSA-N -1 1 299.754 1.357 20 0 CDADMM O=C([O-])c1ccc(Cl)c(CN2CCC[C@](O)(CO)C2)c1 ZINC001608892513 1164678209 /nfs/dbraw/zinc/67/82/09/1164678209.db2.gz SUMGLXFOFXHACS-CQSZACIVSA-N -1 1 299.754 1.357 20 0 CDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)c1nccs1 ZINC001609113713 1164776293 /nfs/dbraw/zinc/77/62/93/1164776293.db2.gz DGWFJFOQMFNBTP-ZETCQYMHSA-N -1 1 288.340 1.329 20 0 CDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)c1nccs1 ZINC001609113713 1164776299 /nfs/dbraw/zinc/77/62/99/1164776299.db2.gz DGWFJFOQMFNBTP-ZETCQYMHSA-N -1 1 288.340 1.329 20 0 CDADMM C[C@H](O)C[C@H]1CCCCN1c1cccc(-c2nnn[n-]2)n1 ZINC001609129101 1164787508 /nfs/dbraw/zinc/78/75/08/1164787508.db2.gz XYNCCRBMHCZRKL-WDEREUQCSA-N -1 1 288.355 1.392 20 0 CDADMM C[C@H](O)C[C@H]1CCCCN1c1cccc(-c2nn[n-]n2)n1 ZINC001609129101 1164787518 /nfs/dbraw/zinc/78/75/18/1164787518.db2.gz XYNCCRBMHCZRKL-WDEREUQCSA-N -1 1 288.355 1.392 20 0 CDADMM CC1(C)CC[C@@H](C(=O)Nc2cccc(-c3nnn[n-]3)n2)O1 ZINC001609144676 1164793811 /nfs/dbraw/zinc/79/38/11/1164793811.db2.gz IGTVSKKCFBVMNX-VIFPVBQESA-N -1 1 288.311 1.158 20 0 CDADMM CC1(C)CC[C@@H](C(=O)Nc2cccc(-c3nn[n-]n3)n2)O1 ZINC001609144676 1164793818 /nfs/dbraw/zinc/79/38/18/1164793818.db2.gz IGTVSKKCFBVMNX-VIFPVBQESA-N -1 1 288.311 1.158 20 0 CDADMM CC1(CC(F)(F)F)CN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001609148716 1164796570 /nfs/dbraw/zinc/79/65/70/1164796570.db2.gz IXFBEMUFMSPJJA-UHFFFAOYSA-N -1 1 299.260 1.435 20 0 CDADMM CC1(CC(F)(F)F)CN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001609148716 1164796574 /nfs/dbraw/zinc/79/65/74/1164796574.db2.gz IXFBEMUFMSPJJA-UHFFFAOYSA-N -1 1 299.260 1.435 20 0 CDADMM C[C@@]12CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]1C2(F)F ZINC001609152171 1164799926 /nfs/dbraw/zinc/79/99/26/1164799926.db2.gz VSNUFBNIVQHHIU-GZMMTYOYSA-N -1 1 293.281 1.138 20 0 CDADMM C[C@@]12CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]1C2(F)F ZINC001609152171 1164799933 /nfs/dbraw/zinc/79/99/33/1164799933.db2.gz VSNUFBNIVQHHIU-GZMMTYOYSA-N -1 1 293.281 1.138 20 0 CDADMM C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2cccc(-c3nnn[n-]3)n2)O1 ZINC001609154138 1164803569 /nfs/dbraw/zinc/80/35/69/1164803569.db2.gz KHZCKGPATGWEDK-XLDPMVHQSA-N -1 1 288.311 1.014 20 0 CDADMM C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2cccc(-c3nn[n-]n3)n2)O1 ZINC001609154138 1164803575 /nfs/dbraw/zinc/80/35/75/1164803575.db2.gz KHZCKGPATGWEDK-XLDPMVHQSA-N -1 1 288.311 1.014 20 0 CDADMM CCOC[C@@H]1CCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001609240127 1164860775 /nfs/dbraw/zinc/86/07/75/1164860775.db2.gz LPTHYYDOLWBSPS-SNVBAGLBSA-N -1 1 274.328 1.125 20 0 CDADMM CCOC[C@@H]1CCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001609240127 1164860781 /nfs/dbraw/zinc/86/07/81/1164860781.db2.gz LPTHYYDOLWBSPS-SNVBAGLBSA-N -1 1 274.328 1.125 20 0 CDADMM COC1(CNc2ccc(C)c(-c3nnn[n-]3)n2)CCCC1 ZINC001609312123 1164888637 /nfs/dbraw/zinc/88/86/37/1164888637.db2.gz SEQSXFGFDIPWGS-UHFFFAOYSA-N -1 1 288.355 1.941 20 0 CDADMM COC1(CNc2ccc(C)c(-c3nn[n-]n3)n2)CCCC1 ZINC001609312123 1164888644 /nfs/dbraw/zinc/88/86/44/1164888644.db2.gz SEQSXFGFDIPWGS-UHFFFAOYSA-N -1 1 288.355 1.941 20 0 CDADMM CO[C@@H]1CC[C@H](OC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001609313524 1164892437 /nfs/dbraw/zinc/89/24/37/1164892437.db2.gz MIOOUSJYPGGBDR-SFYZADRCSA-N -1 1 278.268 1.184 20 0 CDADMM CS[C@H](CNc1ccnc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001609369131 1164911896 /nfs/dbraw/zinc/91/18/96/1164911896.db2.gz MNTQQJBQMBMRQP-LLVKDONJSA-N -1 1 292.412 1.873 20 0 CDADMM CS[C@H](CNc1ccnc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001609369131 1164911906 /nfs/dbraw/zinc/91/19/06/1164911906.db2.gz MNTQQJBQMBMRQP-LLVKDONJSA-N -1 1 292.412 1.873 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCCC(C)(F)F)n1 ZINC001609392629 1164926348 /nfs/dbraw/zinc/92/63/48/1164926348.db2.gz XRLTXFUAPHPNHY-UHFFFAOYSA-N -1 1 269.259 1.422 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCCC(C)(F)F)n1 ZINC001609392629 1164926354 /nfs/dbraw/zinc/92/63/54/1164926354.db2.gz XRLTXFUAPHPNHY-UHFFFAOYSA-N -1 1 269.259 1.422 20 0 CDADMM Cc1ccc(N2CC[C@H](C(F)F)C2)nc1-c1nnn[n-]1 ZINC001609424803 1164940361 /nfs/dbraw/zinc/94/03/61/1164940361.db2.gz JCMOMQRQZJBTSU-QMMMGPOBSA-N -1 1 280.282 1.662 20 0 CDADMM Cc1ccc(N2CC[C@H](C(F)F)C2)nc1-c1nn[n-]n1 ZINC001609424803 1164940367 /nfs/dbraw/zinc/94/03/67/1164940367.db2.gz JCMOMQRQZJBTSU-QMMMGPOBSA-N -1 1 280.282 1.662 20 0 CDADMM Cc1ccc(N2CCSC[C@@H]2C)nc1-c1nnn[n-]1 ZINC001609425178 1164940681 /nfs/dbraw/zinc/94/06/81/1164940681.db2.gz CPPGSCXUJBEULM-VIFPVBQESA-N -1 1 276.369 1.512 20 0 CDADMM Cc1ccc(N2CCSC[C@@H]2C)nc1-c1nn[n-]n1 ZINC001609425178 1164940688 /nfs/dbraw/zinc/94/06/88/1164940688.db2.gz CPPGSCXUJBEULM-VIFPVBQESA-N -1 1 276.369 1.512 20 0 CDADMM Cc1cccc(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001609431565 1164943931 /nfs/dbraw/zinc/94/39/31/1164943931.db2.gz PKICSATVMNTBSA-UHFFFAOYSA-N -1 1 294.318 1.500 20 0 CDADMM Cc1cccc(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001609431565 1164943941 /nfs/dbraw/zinc/94/39/41/1164943941.db2.gz PKICSATVMNTBSA-UHFFFAOYSA-N -1 1 294.318 1.500 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1cccnc1C ZINC001609456751 1164959879 /nfs/dbraw/zinc/95/98/79/1164959879.db2.gz DJFTZTOWVFKYFL-UHFFFAOYSA-N -1 1 299.290 1.829 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1cccnc1C ZINC001609456751 1164959883 /nfs/dbraw/zinc/95/98/83/1164959883.db2.gz DJFTZTOWVFKYFL-UHFFFAOYSA-N -1 1 299.290 1.829 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C12CCC(CC1)C2 ZINC001609566954 1164989780 /nfs/dbraw/zinc/98/97/80/1164989780.db2.gz MHSPVCLDMMNOIL-UHFFFAOYSA-N -1 1 284.323 1.781 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C12CCC(CC1)C2 ZINC001609566954 1164989787 /nfs/dbraw/zinc/98/97/87/1164989787.db2.gz MHSPVCLDMMNOIL-UHFFFAOYSA-N -1 1 284.323 1.781 20 0 CDADMM O=C(OCCc1ccccc1)c1ccc(-c2nn[n-]n2)o1 ZINC001609574988 1164993693 /nfs/dbraw/zinc/99/36/93/1164993693.db2.gz JDQKRTDLRXAGDG-UHFFFAOYSA-N -1 1 284.275 1.859 20 0 CDADMM O=C(OCc1cccc(F)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001609577856 1164997420 /nfs/dbraw/zinc/99/74/20/1164997420.db2.gz XDTOVUGPSWVIHH-UHFFFAOYSA-N -1 1 288.238 1.956 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ncn1CCC1CCCC1 ZINC001609604906 1165001621 /nfs/dbraw/zinc/00/16/21/1165001621.db2.gz WNNHBPBIIVLHDU-UHFFFAOYSA-N -1 1 260.301 1.004 20 0 CDADMM c1ccc2c(c1)CCN(c1ncncc1-c1nn[n-]n1)CC2 ZINC001609618023 1165011745 /nfs/dbraw/zinc/01/17/45/1165011745.db2.gz MHMKLOZTVYNYCG-UHFFFAOYSA-N -1 1 293.334 1.262 20 0 CDADMM c1ncc(N2C[C@H](C3CC3)[C@H]2C2CC2)nc1-c1nnn[n-]1 ZINC001609621206 1165016497 /nfs/dbraw/zinc/01/64/97/1165016497.db2.gz UXHINZAOHCRRLK-ZWNOBZJWSA-N -1 1 283.339 1.282 20 0 CDADMM c1ncc(N2C[C@H](C3CC3)[C@H]2C2CC2)nc1-c1nn[n-]n1 ZINC001609621206 1165016501 /nfs/dbraw/zinc/01/65/01/1165016501.db2.gz UXHINZAOHCRRLK-ZWNOBZJWSA-N -1 1 283.339 1.282 20 0 CDADMM COC(=O)[C@@H]1C[C@H](C)CCN1CC1(CC(=O)[O-])CC1 ZINC001610171594 1165244367 /nfs/dbraw/zinc/24/43/67/1165244367.db2.gz YSHSBARKMUTFIO-MNOVXSKESA-N -1 1 269.341 1.515 20 0 CDADMM Cc1nc2cccc(C(=O)Nc3c[nH]nc3C(=O)[O-])c2[nH]1 ZINC001610558773 1165355063 /nfs/dbraw/zinc/35/50/63/1165355063.db2.gz BLHDYHSAIYXPOE-UHFFFAOYSA-N -1 1 285.263 1.545 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(CN3C[C@@H](C4CCCC4)CC3=O)C[C@@H]21 ZINC001610803797 1165448196 /nfs/dbraw/zinc/44/81/96/1165448196.db2.gz LWUWEFZUIBTXKO-RMRHIDDWSA-N -1 1 292.379 1.245 20 0 CDADMM O=C([O-])c1coc(CN2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC001610867707 1165467524 /nfs/dbraw/zinc/46/75/24/1165467524.db2.gz OLPUDFZCWLKXHW-XCBNKYQSSA-N -1 1 293.241 1.723 20 0 CDADMM O=C([O-])C1(COC(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC001610879417 1165473173 /nfs/dbraw/zinc/47/31/73/1165473173.db2.gz ZDRMKOYVWBSTHD-UHFFFAOYSA-N -1 1 287.275 1.493 20 0 CDADMM O=C([O-])C1(COC(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC001610879400 1165473306 /nfs/dbraw/zinc/47/33/06/1165473306.db2.gz YXCSZQLHGQHLDM-UHFFFAOYSA-N -1 1 287.275 1.493 20 0 CDADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC2(CCC2)C1 ZINC001622599888 1165731370 /nfs/dbraw/zinc/73/13/70/1165731370.db2.gz WUESUMIYHMNQSN-UHFFFAOYSA-N -1 1 259.309 1.686 20 0 CDADMM CC(C)(NC(=O)c1cc(F)ccc1[O-])c1ncc[nH]1 ZINC001635448411 1166589181 /nfs/dbraw/zinc/58/91/81/1166589181.db2.gz XNBWPXYIOMXKFD-UHFFFAOYSA-N -1 1 263.272 1.920 20 0 CDADMM Clc1ccc(-c2noc(Cc3nnn[n-]3)n2)cc1 ZINC000095234683 1166611759 /nfs/dbraw/zinc/61/17/59/1166611759.db2.gz RUOSRBUQHYJYFT-UHFFFAOYSA-N -1 1 262.660 1.494 20 0 CDADMM Clc1ccc(-c2noc(Cc3nn[n-]n3)n2)cc1 ZINC000095234683 1166611763 /nfs/dbraw/zinc/61/17/63/1166611763.db2.gz RUOSRBUQHYJYFT-UHFFFAOYSA-N -1 1 262.660 1.494 20 0 CDADMM CCC(CC)(NC(=O)c1ccc(C)c(O)c1)c1nn[n-]n1 ZINC000095284774 1166617819 /nfs/dbraw/zinc/61/78/19/1166617819.db2.gz JOJCZGGSVDSKOB-UHFFFAOYSA-N -1 1 289.339 1.659 20 0 CDADMM CCN(CC(=O)Nc1c[n-][nH]c1=O)c1ccccc1 ZINC001638735387 1166868137 /nfs/dbraw/zinc/86/81/37/1166868137.db2.gz GDMHJOAKDFSILO-UHFFFAOYSA-N -1 1 260.297 1.580 20 0 CDADMM COC(CCCNC(=O)c1[n-][nH]c2cc(=O)ccc1-2)OC ZINC001155273493 1167113320 /nfs/dbraw/zinc/11/33/20/1167113320.db2.gz POJMXAZMFRPMGH-UHFFFAOYSA-N -1 1 293.323 1.397 20 0 CDADMM Cc1ccc2cc(C(=O)N(C)c3nn[n-]n3)[nH]c2c1 ZINC001642428087 1167174784 /nfs/dbraw/zinc/17/47/84/1167174784.db2.gz XRYYPZLTHLBEEX-UHFFFAOYSA-N -1 1 256.269 1.266 20 0 CDADMM CCOc1cccc(CNCc2cc(C(=O)[O-])n[nH]2)c1 ZINC001647411385 1168658548 /nfs/dbraw/zinc/65/85/48/1168658548.db2.gz OPOSIXDZWXPXIK-UHFFFAOYSA-N -1 1 275.308 1.796 20 0 CDADMM Cn1cnnc1C1CCN(c2cc(Cl)[n-]c(=O)n2)CC1 ZINC001649920644 1169499042 /nfs/dbraw/zinc/49/90/42/1169499042.db2.gz ZIJBGOUTJSYKMT-UHFFFAOYSA-N -1 1 294.746 1.348 20 0 CDADMM Cc1nnc(CN2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])s1 ZINC001574200458 1170917804 /nfs/dbraw/zinc/91/78/04/1170917804.db2.gz MCEWFLHSUACPDP-XKSSXDPKSA-N -1 1 253.327 1.284 20 0 CDADMM O=C([O-])Cc1cnc(NC(=O)c2cccc(F)c2O)s1 ZINC001574375740 1170961651 /nfs/dbraw/zinc/96/16/51/1170961651.db2.gz YWTZLCSMYJHHIE-UHFFFAOYSA-N -1 1 296.279 1.867 20 0 CDADMM O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)c1cccc2n[nH]cc21 ZINC001574398676 1170970463 /nfs/dbraw/zinc/97/04/63/1170970463.db2.gz IRIWPFNOZBZHBX-RWEMILLDSA-N -1 1 285.303 1.641 20 0 CDADMM O=c1ccn(-c2ccc(NCc3c[nH]cn3)cc2)[n-]1 ZINC001651402317 1171320515 /nfs/dbraw/zinc/32/05/15/1171320515.db2.gz IDYYDLIHIGANMJ-UHFFFAOYSA-N -1 1 255.281 1.913 20 0 CDADMM Cc1ccc(N)cc1S(=O)(=O)[N-]c1ccncc1 ZINC000019231179 1171788728 /nfs/dbraw/zinc/78/87/28/1171788728.db2.gz GLIRDSFDTNUZST-UHFFFAOYSA-N -1 1 263.322 1.773 20 0 CDADMM Fc1ccc2c(c1)[C@@H](Nc1cncc(-c3nnn[n-]3)n1)CC2 ZINC001581855339 1172624501 /nfs/dbraw/zinc/62/45/01/1172624501.db2.gz WFLRFLLJRMVIOD-NSHDSACASA-N -1 1 297.297 1.895 20 0 CDADMM Fc1ccc2c(c1)[C@@H](Nc1cncc(-c3nn[n-]n3)n1)CC2 ZINC001581855339 1172624505 /nfs/dbraw/zinc/62/45/05/1172624505.db2.gz WFLRFLLJRMVIOD-NSHDSACASA-N -1 1 297.297 1.895 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NOCC1CC1 ZINC001582550013 1172682713 /nfs/dbraw/zinc/68/27/13/1172682713.db2.gz PDMWACHEOWKXJP-UHFFFAOYSA-N -1 1 294.340 1.069 20 0 CDADMM O=C(Nc1ccc(F)cn1)c1csc(-c2nn[n-]n2)c1 ZINC001582642137 1172686177 /nfs/dbraw/zinc/68/61/77/1172686177.db2.gz VGSYWSNCBVXYER-UHFFFAOYSA-N -1 1 290.283 1.715 20 0 CDADMM O=C(OCc1csnn1)c1csc(-c2nnn[n-]2)c1 ZINC001582655617 1172687279 /nfs/dbraw/zinc/68/72/79/1172687279.db2.gz GMOPHUCFZBCMMA-UHFFFAOYSA-N -1 1 294.321 1.137 20 0 CDADMM O=C(OCc1csnn1)c1csc(-c2nn[n-]n2)c1 ZINC001582655617 1172687284 /nfs/dbraw/zinc/68/72/84/1172687284.db2.gz GMOPHUCFZBCMMA-UHFFFAOYSA-N -1 1 294.321 1.137 20 0 CDADMM c1ccc2c(c1)CC[C@H]2Nc1ccnc(-c2nn[n-]n2)n1 ZINC001582819182 1172697163 /nfs/dbraw/zinc/69/71/63/1172697163.db2.gz PQGQVIDKZAXLPU-LLVKDONJSA-N -1 1 279.307 1.178 20 0 CDADMM C[C@@H](NC(=O)c1ccc(F)c([O-])c1)c1cnn(C)c1 ZINC001586679932 1172953933 /nfs/dbraw/zinc/95/39/33/1172953933.db2.gz MPBRJARPPFYDPP-MRVPVSSYSA-N -1 1 263.272 1.756 20 0 CDADMM C1=CC2(CCCCC2)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588386732 1173059051 /nfs/dbraw/zinc/05/90/51/1173059051.db2.gz BDAUTOOXLNTVMQ-UHFFFAOYSA-N -1 1 283.339 1.736 20 0 CDADMM CC(C)(C)ONC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589199147 1173128924 /nfs/dbraw/zinc/12/89/24/1173128924.db2.gz XECBOSOBDGEKCT-UHFFFAOYSA-N -1 1 267.314 1.388 20 0 CDADMM CC(C)(C)ONC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589199147 1173128927 /nfs/dbraw/zinc/12/89/27/1173128927.db2.gz XECBOSOBDGEKCT-UHFFFAOYSA-N -1 1 267.314 1.388 20 0 CDADMM CC(=O)Nc1ccc(Nc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001588878505 1173111490 /nfs/dbraw/zinc/11/14/90/1173111490.db2.gz HYFKVJKPIBZVLK-UHFFFAOYSA-N -1 1 296.294 1.359 20 0 CDADMM CC(=O)Nc1ccc(Nc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001588878505 1173111492 /nfs/dbraw/zinc/11/14/92/1173111492.db2.gz HYFKVJKPIBZVLK-UHFFFAOYSA-N -1 1 296.294 1.359 20 0 CDADMM CC(C)(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001589098987 1173123938 /nfs/dbraw/zinc/12/39/38/1173123938.db2.gz HHNWWMMQGKYSGI-UHFFFAOYSA-N -1 1 273.344 1.893 20 0 CDADMM CC(C)(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001589098987 1173123943 /nfs/dbraw/zinc/12/39/43/1173123943.db2.gz HHNWWMMQGKYSGI-UHFFFAOYSA-N -1 1 273.344 1.893 20 0 CDADMM CC(C)(/C=C\Cl)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001589264437 1173132092 /nfs/dbraw/zinc/13/20/92/1173132092.db2.gz SVKBOXBMSNLANA-ARJAWSKDSA-N -1 1 265.708 1.600 20 0 CDADMM CC(C)(/C=C\Cl)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001589264437 1173132094 /nfs/dbraw/zinc/13/20/94/1173132094.db2.gz SVKBOXBMSNLANA-ARJAWSKDSA-N -1 1 265.708 1.600 20 0 CDADMM CC(C)(CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001589292249 1173133733 /nfs/dbraw/zinc/13/37/33/1173133733.db2.gz KRTBCMBCSHJUIB-UHFFFAOYSA-N -1 1 259.317 1.505 20 0 CDADMM CC(C)(CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001589292249 1173133735 /nfs/dbraw/zinc/13/37/35/1173133735.db2.gz KRTBCMBCSHJUIB-UHFFFAOYSA-N -1 1 259.317 1.505 20 0 CDADMM CC(C)[C@]1(C)C[C@H]1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589491642 1173147941 /nfs/dbraw/zinc/14/79/41/1173147941.db2.gz VPCHDANDGYPMPI-MFKMUULPSA-N -1 1 275.312 1.624 20 0 CDADMM CC(C)[C@]1(C)C[C@H]1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589491642 1173147945 /nfs/dbraw/zinc/14/79/45/1173147945.db2.gz VPCHDANDGYPMPI-MFKMUULPSA-N -1 1 275.312 1.624 20 0 CDADMM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589491640 1173148439 /nfs/dbraw/zinc/14/84/39/1173148439.db2.gz VPCHDANDGYPMPI-GWCFXTLKSA-N -1 1 275.312 1.624 20 0 CDADMM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589491640 1173148443 /nfs/dbraw/zinc/14/84/43/1173148443.db2.gz VPCHDANDGYPMPI-GWCFXTLKSA-N -1 1 275.312 1.624 20 0 CDADMM CC(C)[C@H]1CCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001589508940 1173153955 /nfs/dbraw/zinc/15/39/55/1173153955.db2.gz LIUWENUGMXCAQK-VIFPVBQESA-N -1 1 259.317 1.139 20 0 CDADMM CC(C)C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001589571464 1173159730 /nfs/dbraw/zinc/15/97/30/1173159730.db2.gz ATZSVCGTUPFSPH-JTQLQIEISA-N -1 1 289.339 1.968 20 0 CDADMM CC(C)C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001589571464 1173159736 /nfs/dbraw/zinc/15/97/36/1173159736.db2.gz ATZSVCGTUPFSPH-JTQLQIEISA-N -1 1 289.339 1.968 20 0 CDADMM CC(C)O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001589740089 1173171664 /nfs/dbraw/zinc/17/16/64/1173171664.db2.gz XCKNUHJYNNEMMU-SNVBAGLBSA-N -1 1 289.343 1.051 20 0 CDADMM CC(C)O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001589740089 1173171668 /nfs/dbraw/zinc/17/16/68/1173171668.db2.gz XCKNUHJYNNEMMU-SNVBAGLBSA-N -1 1 289.343 1.051 20 0 CDADMM CC(C)[C@@H]1C[C@H]1NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589763392 1173175034 /nfs/dbraw/zinc/17/50/34/1173175034.db2.gz ILKGZQCJBGRXIJ-VHSXEESVSA-N -1 1 287.327 1.428 20 0 CDADMM CC(C)[C@@H]1C[C@H]1NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589763392 1173175041 /nfs/dbraw/zinc/17/50/41/1173175041.db2.gz ILKGZQCJBGRXIJ-VHSXEESVSA-N -1 1 287.327 1.428 20 0 CDADMM CC(C)[C@@H]1C[C@H]1CNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001589763471 1173177064 /nfs/dbraw/zinc/17/70/64/1173177064.db2.gz PGDKRWOFXBQXOD-WPRPVWTQSA-N -1 1 291.380 1.950 20 0 CDADMM CC(C)[C@@H]1C[C@H]1CNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001589763471 1173177069 /nfs/dbraw/zinc/17/70/69/1173177069.db2.gz PGDKRWOFXBQXOD-WPRPVWTQSA-N -1 1 291.380 1.950 20 0 CDADMM C[C@H](NCc1nc(-c2nnn[n-]2)cs1)c1ccccn1 ZINC001589975232 1173218900 /nfs/dbraw/zinc/21/89/00/1173218900.db2.gz BDLZPVMITJFVQB-QMMMGPOBSA-N -1 1 287.352 1.569 20 0 CDADMM C[C@H](NCc1nc(-c2nn[n-]n2)cs1)c1ccccn1 ZINC001589975232 1173218904 /nfs/dbraw/zinc/21/89/04/1173218904.db2.gz BDLZPVMITJFVQB-QMMMGPOBSA-N -1 1 287.352 1.569 20 0 CDADMM CC(C)n1cc([C@@H](C)Nc2cc(-c3nnn[n-]3)ncn2)cn1 ZINC001589979935 1173221834 /nfs/dbraw/zinc/22/18/34/1173221834.db2.gz COBHVBVXDXRKSA-SECBINFHSA-N -1 1 299.342 1.607 20 0 CDADMM CC(C)n1cc([C@@H](C)Nc2cc(-c3nn[n-]n3)ncn2)cn1 ZINC001589979935 1173221838 /nfs/dbraw/zinc/22/18/38/1173221838.db2.gz COBHVBVXDXRKSA-SECBINFHSA-N -1 1 299.342 1.607 20 0 CDADMM C[C@@H](O)CCCOC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001589998831 1173230385 /nfs/dbraw/zinc/23/03/85/1173230385.db2.gz MKOZPTLJRGFKQT-MRVPVSSYSA-N -1 1 294.286 1.324 20 0 CDADMM C[C@@H](O)CCCOC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001589998831 1173230390 /nfs/dbraw/zinc/23/03/90/1173230390.db2.gz MKOZPTLJRGFKQT-MRVPVSSYSA-N -1 1 294.286 1.324 20 0 CDADMM C[C@@H](O)c1ccc(CNc2cccnc2-c2nnn[n-]2)cc1 ZINC001590004231 1173234742 /nfs/dbraw/zinc/23/47/42/1173234742.db2.gz SKQMNGQPSOIFBP-SNVBAGLBSA-N -1 1 296.334 1.927 20 0 CDADMM C[C@@H](O)c1ccc(CNc2cccnc2-c2nn[n-]n2)cc1 ZINC001590004231 1173234747 /nfs/dbraw/zinc/23/47/47/1173234747.db2.gz SKQMNGQPSOIFBP-SNVBAGLBSA-N -1 1 296.334 1.927 20 0 CDADMM C[C@@H](c1ccccn1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001590051973 1173238879 /nfs/dbraw/zinc/23/88/79/1173238879.db2.gz WCMXLQSTEDWCOV-VIFPVBQESA-N -1 1 282.311 1.249 20 0 CDADMM CC1(C)[C@H](CNc2cccc(-c3nnn[n-]3)n2)C1(F)F ZINC001590077332 1173246312 /nfs/dbraw/zinc/24/63/12/1173246312.db2.gz TWTCWPJVXCYBNF-QMMMGPOBSA-N -1 1 280.282 1.965 20 0 CDADMM CC1(C)[C@H](CNc2cccc(-c3nn[n-]n3)n2)C1(F)F ZINC001590077332 1173246315 /nfs/dbraw/zinc/24/63/15/1173246315.db2.gz TWTCWPJVXCYBNF-QMMMGPOBSA-N -1 1 280.282 1.965 20 0 CDADMM CC1(NC(=O)c2ccc(-c3nnn[n-]3)o2)CC(F)(F)C1 ZINC001590145259 1173271799 /nfs/dbraw/zinc/27/17/99/1173271799.db2.gz INTLLBAWUWCEKU-UHFFFAOYSA-N -1 1 283.238 1.377 20 0 CDADMM CC1(NC(=O)c2ccc(-c3nn[n-]n3)o2)CC(F)(F)C1 ZINC001590145259 1173271801 /nfs/dbraw/zinc/27/18/01/1173271801.db2.gz INTLLBAWUWCEKU-UHFFFAOYSA-N -1 1 283.238 1.377 20 0 CDADMM C[C@]1(NC(=O)c2ccc(-c3nnn[n-]3)o2)CC=CCC1 ZINC001590145852 1173272019 /nfs/dbraw/zinc/27/20/19/1173272019.db2.gz WGUCNSGEAZVHKF-ZDUSSCGKSA-N -1 1 273.296 1.688 20 0 CDADMM C[C@]1(NC(=O)c2ccc(-c3nn[n-]n3)o2)CC=CCC1 ZINC001590145852 1173272027 /nfs/dbraw/zinc/27/20/27/1173272027.db2.gz WGUCNSGEAZVHKF-ZDUSSCGKSA-N -1 1 273.296 1.688 20 0 CDADMM C[C@H]1[C@H](C(F)(F)F)CCN1c1nccnc1-c1nnn[n-]1 ZINC001590166340 1173280806 /nfs/dbraw/zinc/28/08/06/1173280806.db2.gz ARPHIYFRXULKNI-NKWVEPMBSA-N -1 1 299.260 1.434 20 0 CDADMM C[C@H]1[C@H](C(F)(F)F)CCN1c1nccnc1-c1nn[n-]n1 ZINC001590166340 1173280810 /nfs/dbraw/zinc/28/08/10/1173280810.db2.gz ARPHIYFRXULKNI-NKWVEPMBSA-N -1 1 299.260 1.434 20 0 CDADMM C[C@@H]1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001590245667 1173318207 /nfs/dbraw/zinc/31/82/07/1173318207.db2.gz YKLOSFZWUTUMDJ-BDAKNGLRSA-N -1 1 275.312 1.768 20 0 CDADMM C[C@@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590245667 1173318215 /nfs/dbraw/zinc/31/82/15/1173318215.db2.gz YKLOSFZWUTUMDJ-BDAKNGLRSA-N -1 1 275.312 1.768 20 0 CDADMM C[C@H]1CCC[C@@H](OC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590249699 1173319370 /nfs/dbraw/zinc/31/93/70/1173319370.db2.gz CYAAWHIPDGZUAN-GXSJLCMTSA-N -1 1 287.323 1.997 20 0 CDADMM C[C@H]1CCC[C@@H](OC(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590249699 1173319377 /nfs/dbraw/zinc/31/93/77/1173319377.db2.gz CYAAWHIPDGZUAN-GXSJLCMTSA-N -1 1 287.323 1.997 20 0 CDADMM C[C@H]1CCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590268384 1173328306 /nfs/dbraw/zinc/32/83/06/1173328306.db2.gz XATQBOSIEDOKIK-QMMMGPOBSA-N -1 1 273.300 1.135 20 0 CDADMM C[C@H]1CCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590268384 1173328312 /nfs/dbraw/zinc/32/83/12/1173328312.db2.gz XATQBOSIEDOKIK-QMMMGPOBSA-N -1 1 273.300 1.135 20 0 CDADMM C[C@H]1CN(c2cc(-c3nnn[n-]3)ncn2)[C@@H]1c1ccccc1 ZINC001590313595 1173350936 /nfs/dbraw/zinc/35/09/36/1173350936.db2.gz OCONUTZCBRXDBZ-HZMBPMFUSA-N -1 1 293.334 1.854 20 0 CDADMM C[C@H]1CN(c2cc(-c3nn[n-]n3)ncn2)[C@@H]1c1ccccc1 ZINC001590313595 1173350943 /nfs/dbraw/zinc/35/09/43/1173350943.db2.gz OCONUTZCBRXDBZ-HZMBPMFUSA-N -1 1 293.334 1.854 20 0 CDADMM C[C@@H]1c2ccsc2CCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001590340071 1173368078 /nfs/dbraw/zinc/36/80/78/1173368078.db2.gz ZPXSZVZSWXDFEE-MRVPVSSYSA-N -1 1 299.363 1.842 20 0 CDADMM C[C@@H]1c2ccsc2CCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001590340071 1173368082 /nfs/dbraw/zinc/36/80/82/1173368082.db2.gz ZPXSZVZSWXDFEE-MRVPVSSYSA-N -1 1 299.363 1.842 20 0 CDADMM C/C=C\C[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590354931 1173371284 /nfs/dbraw/zinc/37/12/84/1173371284.db2.gz NRNBUBADQSVNQV-OTDNITJGSA-N -1 1 285.355 1.839 20 0 CDADMM CCC(C)(C)OCCNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001590378763 1173379523 /nfs/dbraw/zinc/37/95/23/1173379523.db2.gz JRMZADANENDJOL-UHFFFAOYSA-N -1 1 291.359 1.582 20 0 CDADMM CCC(C)(C)OCCNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001590378763 1173379531 /nfs/dbraw/zinc/37/95/31/1173379531.db2.gz JRMZADANENDJOL-UHFFFAOYSA-N -1 1 291.359 1.582 20 0 CDADMM CC[C@H](C)Cc1noc(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001590410876 1173394942 /nfs/dbraw/zinc/39/49/42/1173394942.db2.gz VAKHXUGPEXOZGB-QMMMGPOBSA-N -1 1 285.311 1.900 20 0 CDADMM CC[C@H](C)Cc1noc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001590410876 1173394946 /nfs/dbraw/zinc/39/49/46/1173394946.db2.gz VAKHXUGPEXOZGB-QMMMGPOBSA-N -1 1 285.311 1.900 20 0 CDADMM CC[C@@H]1[C@H](C)CCN1c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001590501719 1173436930 /nfs/dbraw/zinc/43/69/30/1173436930.db2.gz DFHAVSINQZNLKG-LDYMZIIASA-N -1 1 273.344 1.590 20 0 CDADMM CC[C@@H]1[C@H](C)CCN1c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001590501719 1173436932 /nfs/dbraw/zinc/43/69/32/1173436932.db2.gz DFHAVSINQZNLKG-LDYMZIIASA-N -1 1 273.344 1.590 20 0 CDADMM CCC[C@](C)(O)C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001590543863 1173458074 /nfs/dbraw/zinc/45/80/74/1173458074.db2.gz QVGTXWLLUNBUJI-LBPRGKRZSA-N -1 1 280.284 1.054 20 0 CDADMM CCC[C@](C)(O)C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001590543863 1173458078 /nfs/dbraw/zinc/45/80/78/1173458078.db2.gz QVGTXWLLUNBUJI-LBPRGKRZSA-N -1 1 280.284 1.054 20 0 CDADMM CCn1cc(CNc2ccc(C)nc2-c2nnn[n-]2)cn1 ZINC001590953596 1173548903 /nfs/dbraw/zinc/54/89/03/1173548903.db2.gz MBWQQWJZEZQESK-UHFFFAOYSA-N -1 1 284.327 1.399 20 0 CDADMM CCn1cc(CNc2ccc(C)nc2-c2nn[n-]n2)cn1 ZINC001590953596 1173548908 /nfs/dbraw/zinc/54/89/08/1173548908.db2.gz MBWQQWJZEZQESK-UHFFFAOYSA-N -1 1 284.327 1.399 20 0 CDADMM CCn1ccnc1CNc1nc(-c2nn[n-]n2)ccc1C ZINC001590962180 1173552213 /nfs/dbraw/zinc/55/22/13/1173552213.db2.gz VROGCSLMFLZVQG-UHFFFAOYSA-N -1 1 284.327 1.399 20 0 CDADMM COC1(CCn2c(C)c(C)nc2-c2nnn[n-]2)CCC1 ZINC001591341432 1173619992 /nfs/dbraw/zinc/61/99/92/1173619992.db2.gz UGTPEQSFWGCCRU-UHFFFAOYSA-N -1 1 276.344 1.639 20 0 CDADMM COC1(CCn2c(C)c(C)nc2-c2nn[n-]n2)CCC1 ZINC001591341432 1173619995 /nfs/dbraw/zinc/61/99/95/1173619995.db2.gz UGTPEQSFWGCCRU-UHFFFAOYSA-N -1 1 276.344 1.639 20 0 CDADMM COC1(COc2cccc(F)c2-c2nnn[n-]2)CCC1 ZINC001591343936 1173620252 /nfs/dbraw/zinc/62/02/52/1173620252.db2.gz LCGSNLZCTSGKJS-UHFFFAOYSA-N -1 1 278.287 1.954 20 0 CDADMM COC1(COc2cccc(F)c2-c2nn[n-]n2)CCC1 ZINC001591343936 1173620256 /nfs/dbraw/zinc/62/02/56/1173620256.db2.gz LCGSNLZCTSGKJS-UHFFFAOYSA-N -1 1 278.287 1.954 20 0 CDADMM COC1CCC(CNc2ncncc2-c2nn[n-]n2)CC1 ZINC001591351503 1173625637 /nfs/dbraw/zinc/62/56/37/1173625637.db2.gz UKWURQMJVAPINR-UHFFFAOYSA-N -1 1 289.343 1.274 20 0 CDADMM COCC(C)(C)CNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001591368781 1173631228 /nfs/dbraw/zinc/63/12/28/1173631228.db2.gz DJOHTRJWBHIWSA-UHFFFAOYSA-N -1 1 276.344 1.655 20 0 CDADMM COCC(C)(C)CNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001591368781 1173631232 /nfs/dbraw/zinc/63/12/32/1173631232.db2.gz DJOHTRJWBHIWSA-UHFFFAOYSA-N -1 1 276.344 1.655 20 0 CDADMM COc1ncc(NC(=O)[C@H](F)C(C)C)cc1-c1nn[n-]n1 ZINC001591665328 1173678311 /nfs/dbraw/zinc/67/83/11/1173678311.db2.gz VKBHTGWNBHRBGT-SECBINFHSA-N -1 1 294.290 1.203 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C2CC(C)(C)C2)n1 ZINC001591882630 1173736760 /nfs/dbraw/zinc/73/67/60/1173736760.db2.gz MMRXEKAQCNDFSD-UHFFFAOYSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C2CC(C)(C)C2)n1 ZINC001591882630 1173736766 /nfs/dbraw/zinc/73/67/66/1173736766.db2.gz MMRXEKAQCNDFSD-UHFFFAOYSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCC[C@H]2O)c1 ZINC001591883518 1173737017 /nfs/dbraw/zinc/73/70/17/1173737017.db2.gz SLWYOCDZWHGCJZ-CMPLNLGQSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCC[C@H]2O)c1 ZINC001591883518 1173737022 /nfs/dbraw/zinc/73/70/22/1173737022.db2.gz SLWYOCDZWHGCJZ-CMPLNLGQSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2Cc3ccccc3C2)n1 ZINC001591891578 1173741707 /nfs/dbraw/zinc/74/17/07/1173741707.db2.gz MLUASBOMNQDLBF-UHFFFAOYSA-N -1 1 279.307 1.485 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2Cc3ccccc3C2)n1 ZINC001591891578 1173741712 /nfs/dbraw/zinc/74/17/12/1173741712.db2.gz MLUASBOMNQDLBF-UHFFFAOYSA-N -1 1 279.307 1.485 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(S[C@H]2CCO[C@H]2C)n1 ZINC001591904596 1173744305 /nfs/dbraw/zinc/74/43/05/1173744305.db2.gz ZMQXSQMETLBUTJ-CBAPKCEASA-N -1 1 278.341 1.235 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(S[C@H]2CCO[C@H]2C)n1 ZINC001591904596 1173744300 /nfs/dbraw/zinc/74/43/00/1173744300.db2.gz ZMQXSQMETLBUTJ-CBAPKCEASA-N -1 1 278.341 1.235 20 0 CDADMM Cc1cc(C)cc(CNc2ncncc2-c2nn[n-]n2)c1 ZINC001591951412 1173753132 /nfs/dbraw/zinc/75/31/32/1173753132.db2.gz UJVXZZKLXLPLGW-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1cc(N2CCC[C@@H](CO)[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592005035 1173772136 /nfs/dbraw/zinc/77/21/36/1173772136.db2.gz GPZZYGPPECIWGD-MNOVXSKESA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(N2CCC[C@@H](CO)[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592005035 1173772137 /nfs/dbraw/zinc/77/21/37/1173772137.db2.gz GPZZYGPPECIWGD-MNOVXSKESA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(NC[C@]2(C)CCCCO2)cc(-c2nnn[n-]2)n1 ZINC001592041949 1173783572 /nfs/dbraw/zinc/78/35/72/1173783572.db2.gz YLZCNQSPXGWTIU-AWEZNQCLSA-N -1 1 288.355 1.941 20 0 CDADMM Cc1cc(NC[C@]2(C)CCCCO2)cc(-c2nn[n-]n2)n1 ZINC001592041949 1173783576 /nfs/dbraw/zinc/78/35/76/1173783576.db2.gz YLZCNQSPXGWTIU-AWEZNQCLSA-N -1 1 288.355 1.941 20 0 CDADMM Cc1cc(NCCc2ccns2)nc(-c2nnn[n-]2)c1 ZINC001592051356 1173787200 /nfs/dbraw/zinc/78/72/00/1173787200.db2.gz RBJUCAPXOVMAOP-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM Cc1cc(NCCc2ccns2)nc(-c2nn[n-]n2)c1 ZINC001592051356 1173787205 /nfs/dbraw/zinc/78/72/05/1173787205.db2.gz RBJUCAPXOVMAOP-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCCC[C@H]1CCOC1 ZINC001592115098 1173805213 /nfs/dbraw/zinc/80/52/13/1173805213.db2.gz YECWLAYIMTZDNQ-NSHDSACASA-N -1 1 288.355 1.799 20 0 CDADMM Cc1ccc(CNc2cc(-c3nnn[n-]3)ncn2)cc1F ZINC001592166516 1173820988 /nfs/dbraw/zinc/82/09/88/1173820988.db2.gz CGHZTKKVPWZOIO-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1ccc(CNc2cc(-c3nn[n-]n3)ncn2)cc1F ZINC001592166516 1173820995 /nfs/dbraw/zinc/82/09/95/1173820995.db2.gz CGHZTKKVPWZOIO-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1-c1nnn[n-]1 ZINC001592176998 1173822523 /nfs/dbraw/zinc/82/25/23/1173822523.db2.gz HJOZKKUCCCESQD-AOOOYVTPSA-N -1 1 274.328 1.184 20 0 CDADMM Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1-c1nn[n-]n1 ZINC001592176998 1173822529 /nfs/dbraw/zinc/82/25/29/1173822529.db2.gz HJOZKKUCCCESQD-AOOOYVTPSA-N -1 1 274.328 1.184 20 0 CDADMM Cc1ccc(N2CC[C@H](C)[C@@H](F)C2)nc1-c1nnn[n-]1 ZINC001592176185 1173823354 /nfs/dbraw/zinc/82/33/54/1173823354.db2.gz XABRMYAPBBJNHR-WPRPVWTQSA-N -1 1 276.319 1.754 20 0 CDADMM Cc1ccc(N2CC[C@H](C)[C@@H](F)C2)nc1-c1nn[n-]n1 ZINC001592176185 1173823359 /nfs/dbraw/zinc/82/33/59/1173823359.db2.gz XABRMYAPBBJNHR-WPRPVWTQSA-N -1 1 276.319 1.754 20 0 CDADMM Cc1ncc(CNc2ccc(C)nc2-c2nnn[n-]2)o1 ZINC001592185254 1173830846 /nfs/dbraw/zinc/83/08/46/1173830846.db2.gz UADMKHWUEAMXPF-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1ncc(CNc2ccc(C)nc2-c2nn[n-]n2)o1 ZINC001592185254 1173830850 /nfs/dbraw/zinc/83/08/50/1173830850.db2.gz UADMKHWUEAMXPF-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1cccc(C)c1Cn1cnc(-c2nn[n-]n2)cc1=O ZINC001592223620 1173833999 /nfs/dbraw/zinc/83/39/99/1173833999.db2.gz OAWZRJCJWXYHLK-UHFFFAOYSA-N -1 1 282.307 1.089 20 0 CDADMM Cc1cccnc1[C@H](C)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001592264365 1173838508 /nfs/dbraw/zinc/83/85/08/1173838508.db2.gz QRMHJTHKZXQSRG-VIFPVBQESA-N -1 1 282.311 1.533 20 0 CDADMM Cc1cccnc1[C@H](C)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001592264365 1173838511 /nfs/dbraw/zinc/83/85/11/1173838511.db2.gz QRMHJTHKZXQSRG-VIFPVBQESA-N -1 1 282.311 1.533 20 0 CDADMM Cc1ccoc1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592280111 1173846425 /nfs/dbraw/zinc/84/64/25/1173846425.db2.gz SNMYRVVCOFYMLC-UHFFFAOYSA-N -1 1 299.294 1.621 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC001592338030 1173859887 /nfs/dbraw/zinc/85/98/87/1173859887.db2.gz SQGIXOCDWYQUIM-VXGBXAGGSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC001592338030 1173859892 /nfs/dbraw/zinc/85/98/92/1173859892.db2.gz SQGIXOCDWYQUIM-VXGBXAGGSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(Cc2coc(C3CC3)n2)c1C ZINC001592340168 1173862584 /nfs/dbraw/zinc/86/25/84/1173862584.db2.gz WPLMFQWPGNDGIS-UHFFFAOYSA-N -1 1 285.311 1.594 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2coc(C3CC3)n2)c1C ZINC001592340168 1173862589 /nfs/dbraw/zinc/86/25/89/1173862589.db2.gz WPLMFQWPGNDGIS-UHFFFAOYSA-N -1 1 285.311 1.594 20 0 CDADMM Cc1nc([C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)no1 ZINC001592354163 1173866012 /nfs/dbraw/zinc/86/60/12/1173866012.db2.gz LFMFRGWMKFEVMJ-ZCFIWIBFSA-N -1 1 272.272 1.126 20 0 CDADMM Cc1nc([C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)no1 ZINC001592354163 1173866016 /nfs/dbraw/zinc/86/60/16/1173866016.db2.gz LFMFRGWMKFEVMJ-ZCFIWIBFSA-N -1 1 272.272 1.126 20 0 CDADMM Cc1nc(NCCCCOC(C)C)cc(-c2nnn[n-]2)n1 ZINC001592389823 1173879647 /nfs/dbraw/zinc/87/96/47/1173879647.db2.gz IFVGGQWAQCSOOG-UHFFFAOYSA-N -1 1 291.359 1.582 20 0 CDADMM Cc1nc(NCCCCOC(C)C)cc(-c2nn[n-]n2)n1 ZINC001592389823 1173879652 /nfs/dbraw/zinc/87/96/52/1173879652.db2.gz IFVGGQWAQCSOOG-UHFFFAOYSA-N -1 1 291.359 1.582 20 0 CDADMM Cc1nccnc1CCNc1cccnc1-c1nnn[n-]1 ZINC001592420059 1173885415 /nfs/dbraw/zinc/88/54/15/1173885415.db2.gz OFJAMDNBBSJOGC-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1nccnc1CCNc1cccnc1-c1nn[n-]n1 ZINC001592420059 1173885417 /nfs/dbraw/zinc/88/54/17/1173885417.db2.gz OFJAMDNBBSJOGC-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(O)cc1 ZINC001592502853 1173908876 /nfs/dbraw/zinc/90/88/76/1173908876.db2.gz LBFSNQBEZDOVPH-UHFFFAOYSA-N -1 1 285.263 1.726 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(O)cc1 ZINC001592502853 1173908881 /nfs/dbraw/zinc/90/88/81/1173908881.db2.gz LBFSNQBEZDOVPH-UHFFFAOYSA-N -1 1 285.263 1.726 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCC[C@@H](C)O ZINC001592503036 1173909086 /nfs/dbraw/zinc/90/90/86/1173909086.db2.gz AMBCWUJGFRIZSC-SSDOTTSWSA-N -1 1 280.284 1.086 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCC[C@@H](C)O ZINC001592503036 1173909089 /nfs/dbraw/zinc/90/90/89/1173909089.db2.gz AMBCWUJGFRIZSC-SSDOTTSWSA-N -1 1 280.284 1.086 20 0 CDADMM Clc1sc(NCC2CSC2)nc1-c1nn[n-]n1 ZINC001592542369 1173916801 /nfs/dbraw/zinc/91/68/01/1173916801.db2.gz BWSJNMZPBRYRGV-UHFFFAOYSA-N -1 1 288.789 1.752 20 0 CDADMM FC1(F)C[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001592630587 1173938454 /nfs/dbraw/zinc/93/84/54/1173938454.db2.gz OOPNQLFFCNCDDE-LURJTMIESA-N -1 1 267.243 1.114 20 0 CDADMM FC1(F)C[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001592630587 1173938461 /nfs/dbraw/zinc/93/84/61/1173938461.db2.gz OOPNQLFFCNCDDE-LURJTMIESA-N -1 1 267.243 1.114 20 0 CDADMM FCCn1cc(CNc2cccc(-c3nnn[n-]3)n2)cn1 ZINC001592629300 1173938819 /nfs/dbraw/zinc/93/88/19/1173938819.db2.gz BEMILWACUNGVHO-UHFFFAOYSA-N -1 1 288.290 1.040 20 0 CDADMM FCCn1cc(CNc2cccc(-c3nn[n-]n3)n2)cn1 ZINC001592629300 1173938826 /nfs/dbraw/zinc/93/88/26/1173938826.db2.gz BEMILWACUNGVHO-UHFFFAOYSA-N -1 1 288.290 1.040 20 0 CDADMM O=C(NC1CC=CC1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001592973490 1174010538 /nfs/dbraw/zinc/01/05/38/1174010538.db2.gz YVACWQIYTBOBJB-UHFFFAOYSA-N -1 1 291.261 1.593 20 0 CDADMM O=C(NC1CC=CC1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001592973490 1174010541 /nfs/dbraw/zinc/01/05/41/1174010541.db2.gz YVACWQIYTBOBJB-UHFFFAOYSA-N -1 1 291.261 1.593 20 0 CDADMM O=C(NCc1cccnc1)c1ccsc1-c1nnn[n-]1 ZINC001593146037 1174027434 /nfs/dbraw/zinc/02/74/34/1174027434.db2.gz MJRZCAUSLSDQLP-UHFFFAOYSA-N -1 1 286.320 1.253 20 0 CDADMM O=C(NCc1cccnc1)c1ccsc1-c1nn[n-]n1 ZINC001593146037 1174027438 /nfs/dbraw/zinc/02/74/38/1174027438.db2.gz MJRZCAUSLSDQLP-UHFFFAOYSA-N -1 1 286.320 1.253 20 0 CDADMM O=C(N[C@@H]1C[C@H]1C1CC1)c1ccc(-c2nnn[n-]2)s1 ZINC001593180089 1174029034 /nfs/dbraw/zinc/02/90/34/1174029034.db2.gz PJECUNHIQMITPX-JGVFFNPUSA-N -1 1 275.337 1.457 20 0 CDADMM O=C(N[C@@H]1C[C@H]1C1CC1)c1ccc(-c2nn[n-]n2)s1 ZINC001593180089 1174029041 /nfs/dbraw/zinc/02/90/41/1174029041.db2.gz PJECUNHIQMITPX-JGVFFNPUSA-N -1 1 275.337 1.457 20 0 CDADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)C1CCCC1 ZINC001593196022 1174031940 /nfs/dbraw/zinc/03/19/40/1174031940.db2.gz KBYPRCFYFHBUFI-UHFFFAOYSA-N -1 1 287.327 1.596 20 0 CDADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1ccccc1 ZINC001593196238 1174032747 /nfs/dbraw/zinc/03/27/47/1174032747.db2.gz LZJCUBDWHKGHBT-UHFFFAOYSA-N -1 1 295.306 1.720 20 0 CDADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001593197417 1174032953 /nfs/dbraw/zinc/03/29/53/1174032953.db2.gz RKSYMZJGJPDLOW-BRPSZJMVSA-N -1 1 299.338 1.452 20 0 CDADMM O=C(Nc1nccs1)c1csc(-c2nn[n-]n2)c1 ZINC001593268683 1174046802 /nfs/dbraw/zinc/04/68/02/1174046802.db2.gz YESGYFUCUTUTOA-UHFFFAOYSA-N -1 1 278.322 1.637 20 0 CDADMM O=C(OC[C@H]1CCCCO1)c1ccsc1-c1nnn[n-]1 ZINC001593284399 1174051647 /nfs/dbraw/zinc/05/16/47/1174051647.db2.gz NLSFFGPOWAXPHO-MRVPVSSYSA-N -1 1 294.336 1.654 20 0 CDADMM O=C(Oc1cccc(F)c1)c1cccc(-c2nnn[n-]2)n1 ZINC001593309544 1174062151 /nfs/dbraw/zinc/06/21/51/1174062151.db2.gz MUADLMCUFBLFCB-UHFFFAOYSA-N -1 1 285.238 1.620 20 0 CDADMM O=C(Oc1cccc(F)c1)c1cccc(-c2nn[n-]n2)n1 ZINC001593309544 1174062157 /nfs/dbraw/zinc/06/21/57/1174062157.db2.gz MUADLMCUFBLFCB-UHFFFAOYSA-N -1 1 285.238 1.620 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC=CC12CCCC2 ZINC001593337351 1174066108 /nfs/dbraw/zinc/06/61/08/1174066108.db2.gz YVEURCJSULRUNX-UHFFFAOYSA-N -1 1 296.334 1.587 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC=CC12CCCC2 ZINC001593337351 1174066115 /nfs/dbraw/zinc/06/61/15/1174066115.db2.gz YVEURCJSULRUNX-UHFFFAOYSA-N -1 1 296.334 1.587 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC001593340979 1174067363 /nfs/dbraw/zinc/06/73/63/1174067363.db2.gz SCLYOJICAIEAAD-MFKMUULPSA-N -1 1 299.334 1.720 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC001593340979 1174067369 /nfs/dbraw/zinc/06/73/69/1174067369.db2.gz SCLYOJICAIEAAD-MFKMUULPSA-N -1 1 299.334 1.720 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCCC2(CC2)C1 ZINC001593349068 1174068673 /nfs/dbraw/zinc/06/86/73/1174068673.db2.gz YEYNNIBKVKQFEI-UHFFFAOYSA-N -1 1 284.323 1.278 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCCC2(CC2)C1 ZINC001593349068 1174068680 /nfs/dbraw/zinc/06/86/80/1174068680.db2.gz YEYNNIBKVKQFEI-UHFFFAOYSA-N -1 1 284.323 1.278 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC2(CCC2)C1 ZINC001593368081 1174068920 /nfs/dbraw/zinc/06/89/20/1174068920.db2.gz RDUITRUDNAODTC-UHFFFAOYSA-N -1 1 259.269 1.086 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC2(CCC2)C1 ZINC001593368081 1174068923 /nfs/dbraw/zinc/06/89/23/1174068923.db2.gz RDUITRUDNAODTC-UHFFFAOYSA-N -1 1 259.269 1.086 20 0 CDADMM O=c1c(-c2nn[n-]n2)c2c(cn1CCCCF)CCCC2 ZINC001593492659 1174087155 /nfs/dbraw/zinc/08/71/55/1174087155.db2.gz UJWVKVKXZGDDMP-UHFFFAOYSA-N -1 1 291.330 1.657 20 0 CDADMM OC[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC001593532843 1174106726 /nfs/dbraw/zinc/10/67/26/1174106726.db2.gz ILXRGSSDROSHQD-AOOOYVTPSA-N -1 1 296.334 1.598 20 0 CDADMM OC[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC001593532843 1174106730 /nfs/dbraw/zinc/10/67/30/1174106730.db2.gz ILXRGSSDROSHQD-AOOOYVTPSA-N -1 1 296.334 1.598 20 0 CDADMM OCCCN(Cc1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC001593531264 1174108084 /nfs/dbraw/zinc/10/80/84/1174108084.db2.gz HOMREWDPLSUYOM-UHFFFAOYSA-N -1 1 299.334 1.849 20 0 CDADMM OCCCN(Cc1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC001593531264 1174108089 /nfs/dbraw/zinc/10/80/89/1174108089.db2.gz HOMREWDPLSUYOM-UHFFFAOYSA-N -1 1 299.334 1.849 20 0 CDADMM c1cc(NC2([C@H]3CCCO3)CCC2)nc(-c2nnn[n-]2)c1 ZINC001593558461 1174132777 /nfs/dbraw/zinc/13/27/77/1174132777.db2.gz OCUDRBPGEMWCMJ-LLVKDONJSA-N -1 1 286.339 1.775 20 0 CDADMM c1cc(NC2([C@H]3CCCO3)CCC2)nc(-c2nn[n-]n2)c1 ZINC001593558461 1174132783 /nfs/dbraw/zinc/13/27/83/1174132783.db2.gz OCUDRBPGEMWCMJ-LLVKDONJSA-N -1 1 286.339 1.775 20 0 CDADMM c1cc(N2C[C@@H]3CCCC[C@@H]32)nnc1-c1nnn[n-]1 ZINC001593559301 1174135633 /nfs/dbraw/zinc/13/56/33/1174135633.db2.gz VHHZJUIDXPHTQE-WPRPVWTQSA-N -1 1 257.301 1.036 20 0 CDADMM c1cc(N2C[C@@H]3CCCC[C@@H]32)nnc1-c1nn[n-]n1 ZINC001593559301 1174135638 /nfs/dbraw/zinc/13/56/38/1174135638.db2.gz VHHZJUIDXPHTQE-WPRPVWTQSA-N -1 1 257.301 1.036 20 0 CDADMM c1ccc([C@H]2C[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001593578074 1174145512 /nfs/dbraw/zinc/14/55/12/1174145512.db2.gz KOVVIQDTAKQUAS-VXGBXAGGSA-N -1 1 293.334 1.294 20 0 CDADMM c1csc([C@H]2CCN(c3cccnc3-c3nnn[n-]3)C2)n1 ZINC001593583085 1174149789 /nfs/dbraw/zinc/14/97/89/1174149789.db2.gz MYQQNIDRCVIUNX-VIFPVBQESA-N -1 1 299.363 1.712 20 0 CDADMM c1csc([C@H]2CCN(c3cccnc3-c3nn[n-]n3)C2)n1 ZINC001593583085 1174149794 /nfs/dbraw/zinc/14/97/94/1174149794.db2.gz MYQQNIDRCVIUNX-VIFPVBQESA-N -1 1 299.363 1.712 20 0 CDADMM c1cnc([C@@H](Nc2cccc(-c3nnn[n-]3)n2)C2CC2)nc1 ZINC001593585618 1174153819 /nfs/dbraw/zinc/15/38/19/1174153819.db2.gz XEEANNQWLVCCDT-LBPRGKRZSA-N -1 1 294.322 1.615 20 0 CDADMM c1cnc([C@@H](Nc2cccc(-c3nn[n-]n3)n2)C2CC2)nc1 ZINC001593585618 1174153823 /nfs/dbraw/zinc/15/38/23/1174153823.db2.gz XEEANNQWLVCCDT-LBPRGKRZSA-N -1 1 294.322 1.615 20 0 CDADMM c1csc(CCNc2cccnc2-c2nnn[n-]2)c1 ZINC001593589133 1174156074 /nfs/dbraw/zinc/15/60/74/1174156074.db2.gz PCSGOOSABBTEHI-UHFFFAOYSA-N -1 1 272.337 1.978 20 0 CDADMM c1csc(CCNc2cccnc2-c2nn[n-]n2)c1 ZINC001593589133 1174156078 /nfs/dbraw/zinc/15/60/78/1174156078.db2.gz PCSGOOSABBTEHI-UHFFFAOYSA-N -1 1 272.337 1.978 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC001593590374 1174156859 /nfs/dbraw/zinc/15/68/59/1174156859.db2.gz PXRKWNCVMKYOKZ-GHMZBOCLSA-N -1 1 285.355 1.673 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC001593590374 1174156862 /nfs/dbraw/zinc/15/68/62/1174156862.db2.gz PXRKWNCVMKYOKZ-GHMZBOCLSA-N -1 1 285.355 1.673 20 0 CDADMM c1nc(C2CC2)oc1COc1cnc(-c2nn[n-]n2)nc1 ZINC001593590173 1174157363 /nfs/dbraw/zinc/15/73/63/1174157363.db2.gz IZWXIOQAACKDDD-UHFFFAOYSA-N -1 1 285.267 1.101 20 0 CDADMM CO[C@@H]1[C@H](C)[C@H](NC(=O)c2ccc([O-])cn2)C1(C)C ZINC001597554781 1174280859 /nfs/dbraw/zinc/28/08/59/1174280859.db2.gz TWKHGOOLTKWQEE-JFUSQASVSA-N -1 1 264.325 1.577 20 0 CDADMM Cc1ccc(CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)nc1Cl ZINC001600415737 1174469208 /nfs/dbraw/zinc/46/92/08/1174469208.db2.gz LTBCSAJZQGOUFJ-URLYPYJESA-N -1 1 266.728 1.806 20 0 CDADMM Cc1nc(NC(=O)[C@@H](C)N[C@H](C(=O)[O-])C2CC2)sc1C ZINC001600710562 1174575235 /nfs/dbraw/zinc/57/52/35/1174575235.db2.gz GOUAYLIVSQRLPY-XCBNKYQSSA-N -1 1 297.380 1.540 20 0 CDADMM Cc1nnc(CN2CC[C@](C(=O)[O-])(c3ccccc3)C2)o1 ZINC001600795678 1174615528 /nfs/dbraw/zinc/61/55/28/1174615528.db2.gz FNKSVSFLDAQKKL-OAHLLOKOSA-N -1 1 287.319 1.606 20 0 CDADMM Cn1ncc(CN2CCSC[C@H](C(=O)[O-])C2)c1Cl ZINC001601026385 1174707794 /nfs/dbraw/zinc/70/77/94/1174707794.db2.gz UISRLKFSQDPOAG-SECBINFHSA-N -1 1 289.788 1.323 20 0 CDADMM Cn1nccc1[C@H](CO)NCc1cc(C(=O)[O-])cs1 ZINC001601031782 1174708779 /nfs/dbraw/zinc/70/87/79/1174708779.db2.gz KQCFHYFJFQNXDY-JTQLQIEISA-N -1 1 281.337 1.003 20 0 CDADMM Nc1cc(N)nc(SC[C@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC001601213357 1174791409 /nfs/dbraw/zinc/79/14/09/1174791409.db2.gz ASWDJUHLGDLLGE-HTQZYQBOSA-N -1 1 282.369 1.624 20 0 CDADMM Nc1ccnc(CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC001601219024 1174795480 /nfs/dbraw/zinc/79/54/80/1174795480.db2.gz UNPNOLBPDZQBON-ZJUUUORDSA-N -1 1 277.324 1.171 20 0 CDADMM O=C([O-])[C@@H](CC(F)F)NCc1ncc(Cl)s1 ZINC001601639576 1174922055 /nfs/dbraw/zinc/92/20/55/1174922055.db2.gz WSDBSQGIOURTOS-SCSAIBSYSA-N -1 1 270.688 1.995 20 0 CDADMM O=C([O-])[C@H](CNc1ncnc2[nH]cnc21)Cc1ccccc1 ZINC001601654630 1174932535 /nfs/dbraw/zinc/93/25/35/1174932535.db2.gz CNEFLLNNLNKSCE-NSHDSACASA-N -1 1 297.318 1.660 20 0 CDADMM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC001601757057 1174992415 /nfs/dbraw/zinc/99/24/15/1174992415.db2.gz LYPJTGXXHVSHRP-SRVKXCTJSA-N -1 1 281.352 1.817 20 0 CDADMM O=C([O-])[C@H]1CCN1C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC001601835097 1175029424 /nfs/dbraw/zinc/02/94/24/1175029424.db2.gz VTUVMPZOCNGXFK-UONOGXRCSA-N -1 1 288.347 1.337 20 0 CDADMM O=C([O-])CN(C(=O)c1cccc(F)c1O)C1CCOCC1 ZINC001602051782 1175119007 /nfs/dbraw/zinc/11/90/07/1175119007.db2.gz IVSCPOJYTFTFEJ-UHFFFAOYSA-N -1 1 297.282 1.237 20 0 CDADMM O=C([O-])c1ccc(NC(=O)[C@H]2CCCN2C2CC2)cc1O ZINC001602374838 1175227507 /nfs/dbraw/zinc/22/75/07/1175227507.db2.gz OSLFEFOZRVQNIL-GFCCVEGCSA-N -1 1 290.319 1.656 20 0 CDADMM O=C([O-])c1ccnc(NCc2ccc3nc[nH]c3c2)n1 ZINC001602483632 1175256694 /nfs/dbraw/zinc/25/66/94/1175256694.db2.gz XCKWKKFRFBUTCS-UHFFFAOYSA-N -1 1 269.264 1.663 20 0 CDADMM O=C([O-])c1coc(CNC(=O)c2n[nH]c3ccccc32)n1 ZINC001602555311 1175293464 /nfs/dbraw/zinc/29/34/64/1175293464.db2.gz LAVJZNWJMZPCEK-UHFFFAOYSA-N -1 1 286.247 1.179 20 0 CDADMM O=C([O-])c1coc(CN[C@H]2C[C@H](O)C23CCC3)c1 ZINC001602555240 1175293865 /nfs/dbraw/zinc/29/38/65/1175293865.db2.gz HOYNDGLKSAQELD-QWRGUYRKSA-N -1 1 251.282 1.371 20 0 CDADMM C[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)o1)C(F)(F)F ZINC001603036184 1175480238 /nfs/dbraw/zinc/48/02/38/1175480238.db2.gz CSEDXCLPSGWPRV-YFKPBYRVSA-N -1 1 290.201 1.701 20 0 CDADMM C[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)o1)C(F)(F)F ZINC001603036184 1175480241 /nfs/dbraw/zinc/48/02/41/1175480241.db2.gz CSEDXCLPSGWPRV-YFKPBYRVSA-N -1 1 290.201 1.701 20 0 CDADMM CC(C)C[C@H](CNC(=O)c1[nH]ncc1F)CC(=O)[O-] ZINC001603046237 1175481630 /nfs/dbraw/zinc/48/16/30/1175481630.db2.gz FRLKIGFLROEHQZ-QMMMGPOBSA-N -1 1 271.292 1.416 20 0 CDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H](C)C2CCC2)CC1 ZINC001603145047 1175500957 /nfs/dbraw/zinc/50/09/57/1175500957.db2.gz AJBOGTQNYWMKLD-NEPJUHHUSA-N -1 1 282.384 1.430 20 0 CDADMM CC(C)[C@H](CO)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001603222827 1175518871 /nfs/dbraw/zinc/51/88/71/1175518871.db2.gz ITCWZKOJLLQCSG-QMMMGPOBSA-N -1 1 296.762 1.592 20 0 CDADMM CC(C)[C@H](CO)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001603222827 1175518875 /nfs/dbraw/zinc/51/88/75/1175518875.db2.gz ITCWZKOJLLQCSG-QMMMGPOBSA-N -1 1 296.762 1.592 20 0 CDADMM CC(C)CC(=O)COC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603251071 1175526647 /nfs/dbraw/zinc/52/66/47/1175526647.db2.gz AJKAEVQGKHSILP-UHFFFAOYSA-N -1 1 278.268 1.232 20 0 CDADMM CC(C)CC(=O)COC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001603251071 1175526651 /nfs/dbraw/zinc/52/66/51/1175526651.db2.gz AJKAEVQGKHSILP-UHFFFAOYSA-N -1 1 278.268 1.232 20 0 CDADMM CC(C)[C@H]1CN(c2cc(-c3nnn[n-]3)ncn2)CCS1 ZINC001603249630 1175526689 /nfs/dbraw/zinc/52/66/89/1175526689.db2.gz SFINLKVRHRDOEP-SNVBAGLBSA-N -1 1 291.384 1.235 20 0 CDADMM CC(C)[C@H]1CN(c2cc(-c3nn[n-]n3)ncn2)CCS1 ZINC001603249630 1175526695 /nfs/dbraw/zinc/52/66/95/1175526695.db2.gz SFINLKVRHRDOEP-SNVBAGLBSA-N -1 1 291.384 1.235 20 0 CDADMM C[C@@H](COC(=O)c1coc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001603569738 1175567480 /nfs/dbraw/zinc/56/74/80/1175567480.db2.gz YROTWEHRLVUJGG-YFKPBYRVSA-N -1 1 290.201 1.815 20 0 CDADMM C[C@@H](COC(=O)c1coc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001603569738 1175567487 /nfs/dbraw/zinc/56/74/87/1175567487.db2.gz YROTWEHRLVUJGG-YFKPBYRVSA-N -1 1 290.201 1.815 20 0 CDADMM C[C@H](COC(=O)c1coc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001603569737 1175568498 /nfs/dbraw/zinc/56/84/98/1175568498.db2.gz YROTWEHRLVUJGG-RXMQYKEDSA-N -1 1 290.201 1.815 20 0 CDADMM C[C@H](COC(=O)c1coc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001603569737 1175568502 /nfs/dbraw/zinc/56/85/02/1175568502.db2.gz YROTWEHRLVUJGG-RXMQYKEDSA-N -1 1 290.201 1.815 20 0 CDADMM C[C@H](Cc1cccnc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001603584468 1175571593 /nfs/dbraw/zinc/57/15/93/1175571593.db2.gz CEPPNIBUNVAXNB-SECBINFHSA-N -1 1 282.311 1.095 20 0 CDADMM C[C@H](Cc1cccnc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001603584468 1175571603 /nfs/dbraw/zinc/57/16/03/1175571603.db2.gz CEPPNIBUNVAXNB-SECBINFHSA-N -1 1 282.311 1.095 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1cccnc1 ZINC001603643966 1175584525 /nfs/dbraw/zinc/58/45/25/1175584525.db2.gz XNGOBUGCIIBAJS-QMMMGPOBSA-N -1 1 284.279 1.346 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1cccnc1 ZINC001603643966 1175584531 /nfs/dbraw/zinc/58/45/31/1175584531.db2.gz XNGOBUGCIIBAJS-QMMMGPOBSA-N -1 1 284.279 1.346 20 0 CDADMM C[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ccccc1 ZINC001603678565 1175595902 /nfs/dbraw/zinc/59/59/02/1175595902.db2.gz LLWHARSYFGEUSI-SECBINFHSA-N -1 1 267.296 1.830 20 0 CDADMM C[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ccccc1 ZINC001603678565 1175595906 /nfs/dbraw/zinc/59/59/06/1175595906.db2.gz LLWHARSYFGEUSI-SECBINFHSA-N -1 1 267.296 1.830 20 0 CDADMM CC1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H]1C1CC1 ZINC001603781164 1175628274 /nfs/dbraw/zinc/62/82/74/1175628274.db2.gz CUNBBRFILSMDAW-LBPRGKRZSA-N -1 1 298.350 1.522 20 0 CDADMM CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H]1C1CC1 ZINC001603781164 1175628277 /nfs/dbraw/zinc/62/82/77/1175628277.db2.gz CUNBBRFILSMDAW-LBPRGKRZSA-N -1 1 298.350 1.522 20 0 CDADMM CC1(C)SC[C@@H]1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603796081 1175635901 /nfs/dbraw/zinc/63/59/01/1175635901.db2.gz UECIEYXTCSQQBO-QMMMGPOBSA-N -1 1 279.325 1.084 20 0 CDADMM CC1(C)SC[C@@H]1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001603796081 1175635903 /nfs/dbraw/zinc/63/59/03/1175635903.db2.gz UECIEYXTCSQQBO-QMMMGPOBSA-N -1 1 279.325 1.084 20 0 CDADMM C[C@]1(COC(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H]2C[C@H]2C1 ZINC001603807684 1175639324 /nfs/dbraw/zinc/63/93/24/1175639324.db2.gz GDGXBQKILFTMTM-HBYGRHMLSA-N -1 1 299.334 1.855 20 0 CDADMM C[C@]1(COC(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H]2C[C@H]2C1 ZINC001603807684 1175639327 /nfs/dbraw/zinc/63/93/27/1175639327.db2.gz GDGXBQKILFTMTM-HBYGRHMLSA-N -1 1 299.334 1.855 20 0 CDADMM C[C@]1(COC(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1F ZINC001603807391 1175639611 /nfs/dbraw/zinc/63/96/11/1175639611.db2.gz CUEVEIYDFJZYQJ-TVQRCGJNSA-N -1 1 294.261 1.911 20 0 CDADMM C[C@]1(COC(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1F ZINC001603807391 1175639613 /nfs/dbraw/zinc/63/96/13/1175639613.db2.gz CUEVEIYDFJZYQJ-TVQRCGJNSA-N -1 1 294.261 1.911 20 0 CDADMM C[C@H]1C[C@H]1Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC001603870387 1175662830 /nfs/dbraw/zinc/66/28/30/1175662830.db2.gz HIGDBFGRFVMCAS-UWVGGRQHSA-N -1 1 281.319 1.838 20 0 CDADMM C[C@@H]1CC[C@H](CNC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001603876599 1175666665 /nfs/dbraw/zinc/66/66/65/1175666665.db2.gz KYQHGDGNKCCYIN-ZJUUUORDSA-N -1 1 286.339 1.428 20 0 CDADMM C[C@@H]1CC[C@H](CNC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001603876599 1175666668 /nfs/dbraw/zinc/66/66/68/1175666668.db2.gz KYQHGDGNKCCYIN-ZJUUUORDSA-N -1 1 286.339 1.428 20 0 CDADMM C[C@H]1CCCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001603898440 1175678003 /nfs/dbraw/zinc/67/80/03/1175678003.db2.gz NSDQHUXERHZQFB-VIFPVBQESA-N -1 1 285.355 1.770 20 0 CDADMM C[C@H]1CCCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001603898440 1175678006 /nfs/dbraw/zinc/67/80/06/1175678006.db2.gz NSDQHUXERHZQFB-VIFPVBQESA-N -1 1 285.355 1.770 20 0 CDADMM C[C@H]1CCSCCN1c1cccc(-c2nnn[n-]2)n1 ZINC001603910030 1175682200 /nfs/dbraw/zinc/68/22/00/1175682200.db2.gz MCHPBHMGTUYMOA-VIFPVBQESA-N -1 1 276.369 1.594 20 0 CDADMM C[C@H]1CCSCCN1c1cccc(-c2nn[n-]n2)n1 ZINC001603910030 1175682204 /nfs/dbraw/zinc/68/22/04/1175682204.db2.gz MCHPBHMGTUYMOA-VIFPVBQESA-N -1 1 276.369 1.594 20 0 CDADMM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1c(O)cccc1F ZINC001603917180 1175684495 /nfs/dbraw/zinc/68/44/95/1175684495.db2.gz LIBABCYAZMZMFC-JTQLQIEISA-N -1 1 299.298 1.482 20 0 CDADMM C[C@@H]1CN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)[C@H]1C ZINC001603925284 1175687297 /nfs/dbraw/zinc/68/72/97/1175687297.db2.gz YPILPMNRTFAHGX-SFYZADRCSA-N -1 1 273.300 1.134 20 0 CDADMM C[C@@H]1CN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)[C@H]1C ZINC001603925284 1175687305 /nfs/dbraw/zinc/68/73/05/1175687305.db2.gz YPILPMNRTFAHGX-SFYZADRCSA-N -1 1 273.300 1.134 20 0 CDADMM CC[C@](C)(CNC(=O)c1ccc(-c2nnn[n-]2)s1)OC ZINC001603986888 1175708006 /nfs/dbraw/zinc/70/80/06/1175708006.db2.gz JUFMRMSLWBBMKO-GFCCVEGCSA-N -1 1 295.368 1.473 20 0 CDADMM CC[C@](C)(CNC(=O)c1ccc(-c2nn[n-]n2)s1)OC ZINC001603986888 1175708010 /nfs/dbraw/zinc/70/80/10/1175708010.db2.gz JUFMRMSLWBBMKO-GFCCVEGCSA-N -1 1 295.368 1.473 20 0 CDADMM CC[C@](C)(OC)C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001603991592 1175711547 /nfs/dbraw/zinc/71/15/47/1175711547.db2.gz ZOZJNCRQGSHNGZ-LBPRGKRZSA-N -1 1 296.352 1.787 20 0 CDADMM CC[C@H](C)N(CC)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001604008696 1175718642 /nfs/dbraw/zinc/71/86/42/1175718642.db2.gz ZFQURQRHKGGTMR-QMMMGPOBSA-N -1 1 292.347 1.253 20 0 CDADMM CC[C@H](C)N(CC)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001604008696 1175718648 /nfs/dbraw/zinc/71/86/48/1175718648.db2.gz ZFQURQRHKGGTMR-QMMMGPOBSA-N -1 1 292.347 1.253 20 0 CDADMM CCC(CC)[C@@H](O)CNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001604023016 1175723472 /nfs/dbraw/zinc/72/34/72/1175723472.db2.gz KLBLDKZHWLEJQQ-NSHDSACASA-N -1 1 291.359 1.174 20 0 CDADMM CCC(CC)[C@@H](O)CNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001604023016 1175723474 /nfs/dbraw/zinc/72/34/74/1175723474.db2.gz KLBLDKZHWLEJQQ-NSHDSACASA-N -1 1 291.359 1.174 20 0 CDADMM CC[C@H](CNc1cc(C)cc(-c2nnn[n-]2)n1)OC ZINC001604037832 1175728718 /nfs/dbraw/zinc/72/87/18/1175728718.db2.gz NQFZCQVXKKXZDE-SECBINFHSA-N -1 1 262.317 1.407 20 0 CDADMM CC[C@H](CNc1cc(C)cc(-c2nn[n-]n2)n1)OC ZINC001604037832 1175728721 /nfs/dbraw/zinc/72/87/21/1175728721.db2.gz NQFZCQVXKKXZDE-SECBINFHSA-N -1 1 262.317 1.407 20 0 CDADMM CC[C@@H]1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001604107618 1175765692 /nfs/dbraw/zinc/76/56/92/1175765692.db2.gz ZRZWMFCUSPGDAO-SNVBAGLBSA-N -1 1 286.339 1.063 20 0 CDADMM CC[C@@H]1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001604107618 1175765695 /nfs/dbraw/zinc/76/56/95/1175765695.db2.gz ZRZWMFCUSPGDAO-SNVBAGLBSA-N -1 1 286.339 1.063 20 0 CDADMM CCCCS(=O)(=O)[N-][C@@H](COC(C)(C)C)C(=O)OC ZINC000147639850 1178080093 /nfs/dbraw/zinc/08/00/93/1178080093.db2.gz ISYNCXJHBBQTQH-JTQLQIEISA-N -1 1 295.401 1.063 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc([O-])cc2F)CCCO1 ZINC000229787075 1178134216 /nfs/dbraw/zinc/13/42/16/1178134216.db2.gz ZPWVXWYVRWCXDK-SECBINFHSA-N -1 1 253.273 1.782 20 0 CDADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H](CCO)C1 ZINC000229790290 1178134280 /nfs/dbraw/zinc/13/42/80/1178134280.db2.gz CISGDEBRZCYKIR-JTQLQIEISA-N -1 1 267.300 1.766 20 0 CDADMM CC(=O)NCC1CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000229786285 1178134414 /nfs/dbraw/zinc/13/44/14/1178134414.db2.gz IXLPNVLRKJUXET-UHFFFAOYSA-N -1 1 294.326 1.520 20 0 CDADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]Cc1ccno1 ZINC000230723534 1178156893 /nfs/dbraw/zinc/15/68/93/1178156893.db2.gz JNDOZNOBQHQMGC-UHFFFAOYSA-N -1 1 293.757 1.571 20 0 CDADMM CC(=O)N1CC[C@@H](CN(C)c2cc(Cl)[n-]c(=O)n2)C1 ZINC001771815550 1184760204 /nfs/dbraw/zinc/76/02/04/1184760204.db2.gz KVPGNZXUIMVHHF-VIFPVBQESA-N -1 1 284.747 1.140 20 0 CDADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccccn1 ZINC001771618677 1184780538 /nfs/dbraw/zinc/78/05/38/1184780538.db2.gz MOLHEHGLMLPDSZ-UHFFFAOYSA-N -1 1 290.348 1.538 20 0 CDADMM CC(=O)OC(C)(C)C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001771694728 1186834780 /nfs/dbraw/zinc/83/47/80/1186834780.db2.gz XZGCJGRTUWDOQM-UHFFFAOYSA-N -1 1 296.275 1.165 20 0 CDADMM Cc1ccc(C(=O)N(C)c2nn[n-]n2)cc1C(F)(F)F ZINC001771896514 1186936564 /nfs/dbraw/zinc/93/65/64/1186936564.db2.gz NALMDGBCYWDDNK-UHFFFAOYSA-N -1 1 285.229 1.804 20 0 CDADMM Cc1cc(CNCCNC(=O)C(C)C)oc1C(=O)[O-] ZINC000393017443 1187284453 /nfs/dbraw/zinc/28/44/53/1187284453.db2.gz PFCRXZRUJIGZKS-UHFFFAOYSA-N -1 1 268.313 1.148 20 0 CDADMM Fc1ccc(OCC[C@H]2CCCO2)c(-c2nnn[n-]2)n1 ZINC001606323864 1163859343 /nfs/dbraw/zinc/85/93/43/1163859343.db2.gz 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ZINC000736420408 575655272 /nfs/dbraw/zinc/65/52/72/575655272.db2.gz UCTBZGJKUSIAKV-LBPRGKRZSA-N -1 1 296.762 1.878 20 0 CDADMM CC(C)N(C)CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000736454038 575665395 /nfs/dbraw/zinc/66/53/95/575665395.db2.gz CEMRLSLZARNQAB-GFCCVEGCSA-N -1 1 276.336 1.542 20 0 CDADMM O=C(COC(=O)[C@@H]1CCCCO1)[N-]C(=O)c1ccccc1 ZINC000772324598 575685331 /nfs/dbraw/zinc/68/53/31/575685331.db2.gz SKYJOIBFGBMEEX-LBPRGKRZSA-N -1 1 291.303 1.055 20 0 CDADMM C[C@@H](CN(C)[C@H](C(N)=O)c1ccc(F)cc1)C(=O)[O-] ZINC000736575360 575694020 /nfs/dbraw/zinc/69/40/20/575694020.db2.gz MDNRZRRZFLBBPZ-KWQFWETISA-N -1 1 268.288 1.005 20 0 CDADMM CC(C)N(CC(=O)Nc1ccc(C(=O)[O-])cc1)C[C@@H](C)O ZINC000736677530 575717641 /nfs/dbraw/zinc/71/76/41/575717641.db2.gz MYBBHWQGXFXUMK-LLVKDONJSA-N -1 1 294.351 1.415 20 0 CDADMM C[C@H](Sc1nc(-c2ccccn2)n[nH]1)C(=O)[O-] ZINC000736716327 575727171 /nfs/dbraw/zinc/72/71/71/575727171.db2.gz KSBOWJHOMFUKLT-LURJTMIESA-N -1 1 250.283 1.432 20 0 CDADMM C[C@@H]1CN2CCCC[C@H]2CN1C(=O)CCCN(C)C(=O)[O-] ZINC000736828402 575760440 /nfs/dbraw/zinc/76/04/40/575760440.db2.gz XXVYUEQSERFPDU-OLZOCXBDSA-N -1 1 297.399 1.462 20 0 CDADMM CN(c1snc(Cl)c1-c1nnn[n-]1)[C@@H]1CCOC1 ZINC000736842500 575762555 /nfs/dbraw/zinc/76/25/55/575762555.db2.gz BCYNXOLOVVCXEW-RXMQYKEDSA-N -1 1 286.748 1.202 20 0 CDADMM CN(c1snc(Cl)c1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC000736842500 575762558 /nfs/dbraw/zinc/76/25/58/575762558.db2.gz BCYNXOLOVVCXEW-RXMQYKEDSA-N -1 1 286.748 1.202 20 0 CDADMM O=C(C1CCCC1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773165404 575787818 /nfs/dbraw/zinc/78/78/18/575787818.db2.gz XGGMNZHHNGOXRM-VIFPVBQESA-N -1 1 267.358 1.006 20 0 CDADMM CCN1CCCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000737114502 575826964 /nfs/dbraw/zinc/82/69/64/575826964.db2.gz JPTNGOWZZQRYRE-NEPJUHHUSA-N -1 1 283.372 1.119 20 0 CDADMM CO[C@H](C)c1noc(COC(=O)c2ccc([O-])cc2F)n1 ZINC000773574765 575827107 /nfs/dbraw/zinc/82/71/07/575827107.db2.gz FPDGQEZWDAYDNK-SSDOTTSWSA-N -1 1 296.254 1.979 20 0 CDADMM COc1cccc(CCNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000737132118 575829280 /nfs/dbraw/zinc/82/92/80/575829280.db2.gz WDBRFQFRGZQDCB-UHFFFAOYSA-N -1 1 296.334 1.925 20 0 CDADMM COc1cccc(CCNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000737132118 575829281 /nfs/dbraw/zinc/82/92/81/575829281.db2.gz WDBRFQFRGZQDCB-UHFFFAOYSA-N -1 1 296.334 1.925 20 0 CDADMM CCn1ccnc1CN1CCN(CCCCC(=O)[O-])CC1 ZINC000737923795 575941893 /nfs/dbraw/zinc/94/18/93/575941893.db2.gz NBWOLHUYVZJWSL-UHFFFAOYSA-N -1 1 294.399 1.276 20 0 CDADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c(O)c1 ZINC000737360483 575947010 /nfs/dbraw/zinc/94/70/10/575947010.db2.gz OPLHRYSYQFMCDZ-UHFFFAOYSA-N -1 1 296.290 1.528 20 0 CDADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c(O)c1 ZINC000737360483 575947013 /nfs/dbraw/zinc/94/70/13/575947013.db2.gz OPLHRYSYQFMCDZ-UHFFFAOYSA-N -1 1 296.290 1.528 20 0 CDADMM Cn1[n-]c(COC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)nc1=O ZINC000765409947 576017832 /nfs/dbraw/zinc/01/78/32/576017832.db2.gz QEPMGOSNBXMRND-WDEREUQCSA-N -1 1 291.282 1.094 20 0 CDADMM Cn1[n-]c(COC(=O)c2csc3ccccc23)nc1=O ZINC000765432175 576021837 /nfs/dbraw/zinc/02/18/37/576021837.db2.gz SDUFSTKGDGGZBP-UHFFFAOYSA-N -1 1 289.316 1.680 20 0 CDADMM COc1c(C)cc(C(=O)OCc2nc(=O)n(C)[n-]2)cc1C ZINC000765500127 576031420 /nfs/dbraw/zinc/03/14/20/576031420.db2.gz CBHWYOAWARYFBD-UHFFFAOYSA-N -1 1 291.307 1.091 20 0 CDADMM Cc1noc(C2CN(C(=O)c3c([O-])cccc3Cl)C2)n1 ZINC000765668042 576049235 /nfs/dbraw/zinc/04/92/35/576049235.db2.gz VKKVIVBSVQIBJU-UHFFFAOYSA-N -1 1 293.710 1.977 20 0 CDADMM Cc1cc(CN2CCN(CCCCC(=O)[O-])CC2)on1 ZINC000738232416 576051308 /nfs/dbraw/zinc/05/13/08/576051308.db2.gz GYQUFQCYEQLYFX-UHFFFAOYSA-N -1 1 281.356 1.356 20 0 CDADMM O=C(OCc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738235868 576051988 /nfs/dbraw/zinc/05/19/88/576051988.db2.gz XUVPWNKCGYBGLG-UHFFFAOYSA-N -1 1 281.275 1.619 20 0 CDADMM O=C(OCc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738235868 576051990 /nfs/dbraw/zinc/05/19/90/576051990.db2.gz XUVPWNKCGYBGLG-UHFFFAOYSA-N -1 1 281.275 1.619 20 0 CDADMM O=C(OCc1nn[n-]n1)c1cccc(OC2CCCC2)c1 ZINC000738250491 576053593 /nfs/dbraw/zinc/05/35/93/576053593.db2.gz HLTFMIKSAJBINT-UHFFFAOYSA-N -1 1 288.307 1.878 20 0 CDADMM Cc1ccc([C@H](CNC(=O)CC(=O)[O-])N2CCCC2)o1 ZINC000738261678 576054188 /nfs/dbraw/zinc/05/41/88/576054188.db2.gz OTOZUNMJEQUCQB-NSHDSACASA-N -1 1 280.324 1.316 20 0 CDADMM Cc1ccc(CN(C(=O)CNC(C)(C)C(=O)[O-])C2CC2)o1 ZINC000738283641 576056579 /nfs/dbraw/zinc/05/65/79/576056579.db2.gz YBFUDXBZTDEJHW-UHFFFAOYSA-N -1 1 294.351 1.532 20 0 CDADMM Cc1ccccc1CCNC(=O)CNC(C)(C)C(=O)[O-] ZINC000738325193 576059455 /nfs/dbraw/zinc/05/94/55/576059455.db2.gz OVMCSZPOCDSBSP-UHFFFAOYSA-N -1 1 278.352 1.107 20 0 CDADMM O=c1c(-c2nn[n-]n2)cn(Cc2ccon2)c2ccccc12 ZINC000738370297 576063498 /nfs/dbraw/zinc/06/34/98/576063498.db2.gz AUBXFJOYPXOHFS-UHFFFAOYSA-N -1 1 294.274 1.218 20 0 CDADMM O=c1c(-c2nn[n-]n2)cn(C[C@H]2CCCO2)c2ccccc12 ZINC000738372430 576064080 /nfs/dbraw/zinc/06/40/80/576064080.db2.gz PYOBLTKNSPUPDS-SNVBAGLBSA-N -1 1 297.318 1.361 20 0 CDADMM c1ccc2c(c1)CCN(c1cccc(-c3nnn[n-]3)n1)CC2 ZINC000738412913 576070461 /nfs/dbraw/zinc/07/04/61/576070461.db2.gz NHVCAUNTLQCRFG-UHFFFAOYSA-N -1 1 292.346 1.867 20 0 CDADMM c1ccc2c(c1)CCN(c1cccc(-c3nn[n-]n3)n1)CC2 ZINC000738412913 576070462 /nfs/dbraw/zinc/07/04/62/576070462.db2.gz NHVCAUNTLQCRFG-UHFFFAOYSA-N -1 1 292.346 1.867 20 0 CDADMM Cc1ccc([C@H]2CCCN2[C@H](C)C(=O)NCC(=O)[O-])o1 ZINC000738583759 576091258 /nfs/dbraw/zinc/09/12/58/576091258.db2.gz RHBDKPVLCVPVQO-GHMZBOCLSA-N -1 1 280.324 1.314 20 0 CDADMM Cc1ncc(CN[C@H](C(=O)[O-])c2ccccc2)cn1 ZINC000738885708 576130002 /nfs/dbraw/zinc/13/00/02/576130002.db2.gz TUKJWIRUHCJTPH-ZDUSSCGKSA-N -1 1 257.293 1.701 20 0 CDADMM O=C(N[C@@H](CO)CC(F)F)c1c([O-])cccc1Cl ZINC000760675080 576500818 /nfs/dbraw/zinc/50/08/18/576500818.db2.gz AYPWOWQCSBHDPC-ZCFIWIBFSA-N -1 1 279.670 1.792 20 0 CDADMM Cc1cc(N)nc(SCCC[N-]C(=O)C(F)(F)F)n1 ZINC000762773837 576670748 /nfs/dbraw/zinc/67/07/48/576670748.db2.gz UPLJCRXJWPVFLA-UHFFFAOYSA-N -1 1 294.302 1.528 20 0 CDADMM CC(C)NC(=O)CCNC(=O)c1c([O-])cccc1Cl ZINC000746682275 576789174 /nfs/dbraw/zinc/78/91/74/576789174.db2.gz JPBQSEAGNXRQFP-UHFFFAOYSA-N -1 1 284.743 1.690 20 0 CDADMM COCCO[N-]C(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1 ZINC000748780463 576924800 /nfs/dbraw/zinc/92/48/00/576924800.db2.gz MIWRNVHVBOMJEP-OTTFEQOBSA-N -1 1 298.383 1.108 20 0 CDADMM O=C([N-]CCOC(F)(F)F)C(F)(F)c1nccs1 ZINC000756771791 577003725 /nfs/dbraw/zinc/00/37/25/577003725.db2.gz ZUIABWPAPFOPQZ-UHFFFAOYSA-N -1 1 290.213 1.888 20 0 CDADMM COCc1noc([C@H](C)OC(=O)c2ccc([O-])cc2F)n1 ZINC000751569062 577051174 /nfs/dbraw/zinc/05/11/74/577051174.db2.gz PHBVDSODUCFNSD-ZETCQYMHSA-N -1 1 296.254 1.979 20 0 CDADMM CCOc1ccccc1C(F)(F)C(=O)NCc1nn[n-]n1 ZINC000753579775 577178217 /nfs/dbraw/zinc/17/82/17/577178217.db2.gz WDFXHFOLIDKBCM-UHFFFAOYSA-N -1 1 297.265 1.007 20 0 CDADMM O=C([O-])CCC1CCN(Cc2[nH]nc3c2COCC3)CC1 ZINC001601978086 1175095013 /nfs/dbraw/zinc/09/50/13/1175095013.db2.gz XGVPJCRRIHXIGH-UHFFFAOYSA-N -1 1 293.367 1.559 20 0 CDADMM O=C([O-])CC[N@@H+](CCOc1ccccc1F)CC(=O)[O-] ZINC001602006529 1175110322 /nfs/dbraw/zinc/11/03/22/1175110322.db2.gz HBHPHGVBYLCTLJ-UHFFFAOYSA-N -1 1 285.271 1.066 20 0 CDADMM O=C([O-])CN1CCN(C(=O)C2CC3(C2)CCCCC3)CC1 ZINC001602063438 1175124200 /nfs/dbraw/zinc/12/42/00/1175124200.db2.gz UDAVOWCBRHUWPT-UHFFFAOYSA-N -1 1 294.395 1.576 20 0 CDADMM O=C([O-])C[C@@H]1CCCN(CN2C(=O)[C@H]3CCCCC[C@H]32)C1 ZINC000819380783 597044970 /nfs/dbraw/zinc/04/49/70/597044970.db2.gz VAYXYVAZWUMNAS-MELADBBJSA-N -1 1 294.395 1.922 20 0 CDADMM O=C([O-])C[C@H]1CCCN(CC(=O)NCc2cccs2)C1 ZINC000054299037 597073325 /nfs/dbraw/zinc/07/33/25/597073325.db2.gz ZZRSHQVCUOQVRK-LLVKDONJSA-N -1 1 296.392 1.551 20 0 CDADMM O=C([O-])CCNCc1cnn(-c2ccc(Cl)cc2)n1 ZINC000819503129 597135906 /nfs/dbraw/zinc/13/59/06/597135906.db2.gz RXVXECCDGGXCTG-UHFFFAOYSA-N -1 1 280.715 1.485 20 0 CDADMM O=C([O-])[C@@H]1CCN(Cc2cc(-c3ccco3)on2)C1 ZINC000062134541 597528892 /nfs/dbraw/zinc/52/88/92/597528892.db2.gz FCKCLPWLJRDLPX-SECBINFHSA-N -1 1 262.265 1.841 20 0 CDADMM O=C([O-])[C@@H]1CCN(C[C@H](O)c2c(F)cccc2F)C1 ZINC000819281283 597529927 /nfs/dbraw/zinc/52/99/27/597529927.db2.gz PZYHOZBGVCOPOT-KCJUWKMLSA-N -1 1 271.263 1.405 20 0 CDADMM Cc1ccc(-c2nnc(CN3CC[C@H](C(=O)[O-])C3)o2)cc1 ZINC000062133748 597531325 /nfs/dbraw/zinc/53/13/25/597531325.db2.gz KFGBOYWBHYRUEU-LBPRGKRZSA-N -1 1 287.319 1.952 20 0 CDADMM Fc1ccc2c(c1)CN(c1cccc(-c3nnn[n-]3)n1)CC2 ZINC000822786497 607331893 /nfs/dbraw/zinc/33/18/93/607331893.db2.gz LLAFSCPUOGQCNZ-UHFFFAOYSA-N -1 1 296.309 1.964 20 0 CDADMM Fc1ccc2c(c1)CN(c1cccc(-c3nn[n-]n3)n1)CC2 ZINC000822786497 607331894 /nfs/dbraw/zinc/33/18/94/607331894.db2.gz LLAFSCPUOGQCNZ-UHFFFAOYSA-N -1 1 296.309 1.964 20 0 CDADMM Cc1ccn(Cc2ccccc2F)c(=O)c1-c1nn[n-]n1 ZINC000095344731 607349066 /nfs/dbraw/zinc/34/90/66/607349066.db2.gz WSPZZUDBDIULSC-UHFFFAOYSA-N -1 1 285.282 1.524 20 0 CDADMM CCC[C@@](C)(NCC(=O)NCc1ccc(F)cc1)C(=O)[O-] ZINC000036808503 600173674 /nfs/dbraw/zinc/17/36/74/600173674.db2.gz AMVIZVSMHOZSIX-OAHLLOKOSA-N -1 1 296.342 1.675 20 0 CDADMM C[C@H](C(=O)OC(C)(C)C)N1CCC[C@@H](C(=O)[O-])C1 ZINC000225028817 600431183 /nfs/dbraw/zinc/43/11/83/600431183.db2.gz LOOXFCZHHMLNQO-NXEZZACHSA-N -1 1 257.330 1.513 20 0 CDADMM CC(C)(NCC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C(=O)[O-] ZINC000087625688 600459293 /nfs/dbraw/zinc/45/92/93/600459293.db2.gz ARIRJAOBGZVKEH-RYUDHWBXSA-N -1 1 282.384 1.620 20 0 CDADMM O=C([O-])c1csc(CN2CCCC[C@H]2C2(O)CC2)n1 ZINC001602561307 1175296977 /nfs/dbraw/zinc/29/69/77/1175296977.db2.gz WVSJDYOOKWBXRU-JTQLQIEISA-N -1 1 282.365 1.721 20 0 CDADMM C[C@@H](NC(=O)c1ccccc1NC(=O)[O-])c1nnc[nH]1 ZINC000827710419 600833648 /nfs/dbraw/zinc/83/36/48/600833648.db2.gz QYUBXXNKUGURKR-SSDOTTSWSA-N -1 1 275.268 1.386 20 0 CDADMM CC[C@H](CO)N1CCN(Cc2cc(C)c(C(=O)[O-])o2)CC1 ZINC000828891379 600847377 /nfs/dbraw/zinc/84/73/77/600847377.db2.gz VQGLFDSZCXGFJO-GFCCVEGCSA-N -1 1 296.367 1.175 20 0 CDADMM CC(C)C[C@H](NC(=O)CN1CCC(C)(C)C1)C(=O)[O-] ZINC000826787700 600849334 /nfs/dbraw/zinc/84/93/34/600849334.db2.gz SMZZHKCZHPQWAP-NSHDSACASA-N -1 1 270.373 1.334 20 0 CDADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccncc2)cs1 ZINC000113250203 600977889 /nfs/dbraw/zinc/97/78/89/600977889.db2.gz IRIJELSLHQHEJY-UHFFFAOYSA-N -1 1 284.318 1.642 20 0 CDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)C(C)(C)C)CC1 ZINC000827354351 601099204 /nfs/dbraw/zinc/09/92/04/601099204.db2.gz FQFMIJRQLBRAID-SNVBAGLBSA-N -1 1 256.346 1.040 20 0 CDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CCC(F)(F)F)CC1 ZINC000827362765 601104599 /nfs/dbraw/zinc/10/45/99/601104599.db2.gz UWTHRSUCELSWSP-VIFPVBQESA-N -1 1 296.289 1.336 20 0 CDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000827374613 601104384 /nfs/dbraw/zinc/10/43/84/601104384.db2.gz JHWVEGRWBJRAQZ-VIFPVBQESA-N -1 1 299.758 1.289 20 0 CDADMM O=C([O-])Nc1cccc(C(=O)OCCc2c[nH]nn2)c1 ZINC000833291610 601143203 /nfs/dbraw/zinc/14/32/03/601143203.db2.gz NHCGBIFOKLBDKZ-UHFFFAOYSA-N -1 1 276.252 1.294 20 0 CDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)OCC(F)(F)F)CC1 ZINC000827374827 601293845 /nfs/dbraw/zinc/29/38/45/601293845.db2.gz MNLZNDVPIINCON-MRVPVSSYSA-N -1 1 298.261 1.166 20 0 CDADMM O=C([O-])[C@@H]1CCCN(CN2CC3(CCCC3)CC2=O)C1 ZINC000833189075 601300952 /nfs/dbraw/zinc/30/09/52/601300952.db2.gz LXSIPDYJYSTAHX-GFCCVEGCSA-N -1 1 280.368 1.533 20 0 CDADMM CCc1oc(C(=O)[O-])cc1CN1CCN(CC)CC1 ZINC000830376135 601410702 /nfs/dbraw/zinc/41/07/02/601410702.db2.gz UUKCWFMGDCVSEQ-UHFFFAOYSA-N -1 1 266.341 1.678 20 0 CDADMM CC(C)NC(=O)CN1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000826971177 601432779 /nfs/dbraw/zinc/43/27/79/601432779.db2.gz GSOIERWWAODACJ-UONOGXRCSA-N -1 1 296.411 1.866 20 0 CDADMM COC[C@@](C)(CC(=O)[O-])NCc1cn2c(cccc2C)n1 ZINC000831586160 601490074 /nfs/dbraw/zinc/49/00/74/601490074.db2.gz UMZWXGVZROUZIL-OAHLLOKOSA-N -1 1 291.351 1.612 20 0 CDADMM C[C@@H]1CN(Cc2nc(-c3ccco3)no2)C[C@H]1C(=O)[O-] ZINC000235407573 601523701 /nfs/dbraw/zinc/52/37/01/601523701.db2.gz WSPSSTRUUJXLPR-RKDXNWHRSA-N -1 1 277.280 1.482 20 0 CDADMM C[C@H]1CN(Cc2nc(-c3ccccn3)no2)C[C@@H]1C(=O)[O-] ZINC000111254717 601529256 /nfs/dbraw/zinc/52/92/56/601529256.db2.gz IUZCEUMSHQTKGL-UWVGGRQHSA-N -1 1 288.307 1.284 20 0 CDADMM C[C@@H](c1nc(C2CC2)no1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828425326 601530799 /nfs/dbraw/zinc/53/07/99/601530799.db2.gz YUSXLGNDNJJYCR-KHQFGBGNSA-N -1 1 265.313 1.661 20 0 CDADMM C[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)[O-])C[C@H]1C ZINC000828439566 601538729 /nfs/dbraw/zinc/53/87/29/601538729.db2.gz ISRLYQFANCQPHG-GHMZBOCLSA-N -1 1 276.336 1.911 20 0 CDADMM O=C([O-])c1sccc1CN1CCC[C@@H]1C1OCCO1 ZINC001602595026 1175313666 /nfs/dbraw/zinc/31/36/66/1175313666.db2.gz GATFKIVWJBBMMP-SNVBAGLBSA-N -1 1 283.349 1.784 20 0 CDADMM CN(C(=O)CN[C@@H](C(=O)[O-])C(C)(C)C)c1ccccc1 ZINC000830485832 601602611 /nfs/dbraw/zinc/60/26/11/601602611.db2.gz OWBPECLELQWZLW-ZDUSSCGKSA-N -1 1 278.352 1.738 20 0 CDADMM CN(Cc1ccc(C(=O)[O-])c(F)c1)C[C@@H]1CN(C)CCO1 ZINC000830966111 601632044 /nfs/dbraw/zinc/63/20/44/601632044.db2.gz XUPFJAHWRDGPCH-LBPRGKRZSA-N -1 1 296.342 1.286 20 0 CDADMM CN(C)[C@@H](Cc1ccccc1)C(=O)NCC(C)(C)C(=O)[O-] ZINC000830584944 601707318 /nfs/dbraw/zinc/70/73/18/601707318.db2.gz HZGBXNYMEPMLLZ-ZDUSSCGKSA-N -1 1 292.379 1.386 20 0 CDADMM COC(=O)C1CCN(Cc2ccsc2C(=O)[O-])CC1 ZINC000831113768 601804836 /nfs/dbraw/zinc/80/48/36/601804836.db2.gz JRVZRQAUNWEWSY-UHFFFAOYSA-N -1 1 283.349 1.831 20 0 CDADMM C[C@H]1CN(CN2C(=O)SC(C)(C)C2=O)C[C@@H]1C(=O)[O-] ZINC000828451532 601812409 /nfs/dbraw/zinc/81/24/09/601812409.db2.gz UHUMTBYFQVUCKM-YUMQZZPRSA-N -1 1 286.353 1.070 20 0 CDADMM CC(C)[C@H](NCC(=O)Nc1ccc2c(c1)CCC2)C(=O)[O-] ZINC000035391744 601823167 /nfs/dbraw/zinc/82/31/67/601823167.db2.gz KHDHSHBYFVPVIY-HNNXBMFYSA-N -1 1 290.363 1.813 20 0 CDADMM COCc1cccc(Cn2cccc(-c3nn[n-]n3)c2=O)c1 ZINC000826164692 607531091 /nfs/dbraw/zinc/53/10/91/607531091.db2.gz LAZXVJMBNHXWCU-UHFFFAOYSA-N -1 1 297.318 1.223 20 0 CDADMM COCCc1noc(CNC2(CC(=O)[O-])CCCCC2)n1 ZINC000831800409 601878380 /nfs/dbraw/zinc/87/83/80/601878380.db2.gz MFRHHFQOTCFPOV-UHFFFAOYSA-N -1 1 297.355 1.526 20 0 CDADMM COc1cccc(NC(=O)CN2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000062936293 601944959 /nfs/dbraw/zinc/94/49/59/601944959.db2.gz HUICGSGQRDIZDY-OAHLLOKOSA-N -1 1 292.335 1.430 20 0 CDADMM C/C(=C/CN1CCN(c2cccs2)CC1)C(=O)[O-] ZINC000825745868 601967220 /nfs/dbraw/zinc/96/72/20/601967220.db2.gz CNRNXCNMTPNMAQ-WCIBSUBMSA-N -1 1 266.366 1.901 20 0 CDADMM O=C([O-])c1ccc(COC(=O)[C@H]2CCCc3[nH]ncc32)o1 ZINC000833316173 601981094 /nfs/dbraw/zinc/98/10/94/601981094.db2.gz TULHWIKYEKQVPC-VIFPVBQESA-N -1 1 290.275 1.864 20 0 CDADMM c1cc(CSC[C@@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC000826516496 607537003 /nfs/dbraw/zinc/53/70/03/607537003.db2.gz MXQMQFJJOFMVAU-LLVKDONJSA-N -1 1 291.380 1.922 20 0 CDADMM c1cc(CSC[C@@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC000826516496 607537005 /nfs/dbraw/zinc/53/70/05/607537005.db2.gz MXQMQFJJOFMVAU-LLVKDONJSA-N -1 1 291.380 1.922 20 0 CDADMM COC[C@](C)(CC(=O)[O-])NCc1nc(C)c(C)s1 ZINC000831586422 602047811 /nfs/dbraw/zinc/04/78/11/602047811.db2.gz WQPFSPBRCGBJQD-LBPRGKRZSA-N -1 1 272.370 1.729 20 0 CDADMM COc1ccc(NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000832394571 602226791 /nfs/dbraw/zinc/22/67/91/602226791.db2.gz SSUZTPAJMDQWQE-CYBMUJFWSA-N -1 1 294.351 1.723 20 0 CDADMM CC[C@H](C)[C@H](NC(=O)CN1CC[C@](C)(CC)C1)C(=O)[O-] ZINC000828714903 602239707 /nfs/dbraw/zinc/23/97/07/602239707.db2.gz BUDANSMNHADIKH-WHOFXGATSA-N -1 1 284.400 1.724 20 0 CDADMM CC(C)(C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824094346 607571786 /nfs/dbraw/zinc/57/17/86/607571786.db2.gz RVXUTXZQHNPHJG-UHFFFAOYSA-N -1 1 299.331 1.083 20 0 CDADMM CC(C)(C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824094346 607571788 /nfs/dbraw/zinc/57/17/88/607571788.db2.gz RVXUTXZQHNPHJG-UHFFFAOYSA-N -1 1 299.331 1.083 20 0 CDADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC(CO)C1 ZINC000897374386 620655369 /nfs/dbraw/zinc/65/53/69/620655369.db2.gz RNFQNTKRGHIFAG-UHFFFAOYSA-N -1 1 273.288 1.315 20 0 CDADMM CCc1[nH]ncc1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000830202507 604344123 /nfs/dbraw/zinc/34/41/23/604344123.db2.gz MIXNAUKUWOPDRO-UHFFFAOYSA-N -1 1 294.336 1.698 20 0 CDADMM CC(=O)Nc1nc(CNC(C)(C)CC(=O)[O-])cs1 ZINC000825923379 604439417 /nfs/dbraw/zinc/43/94/17/604439417.db2.gz XQXYDRZHDZHAOH-UHFFFAOYSA-N -1 1 271.342 1.444 20 0 CDADMM CC(C)[C@@H](C(=O)Nc1nc(CCC(=O)[O-])cs1)N(C)C ZINC000826676871 604740146 /nfs/dbraw/zinc/74/01/46/604740146.db2.gz MJZRZVPZEKTDQU-NSHDSACASA-N -1 1 299.396 1.685 20 0 CDADMM CCc1ccc(CN2CCC([C@@H](O)C(=O)[O-])CC2)o1 ZINC000833670758 604760192 /nfs/dbraw/zinc/76/01/92/604760192.db2.gz UPSOYCMFIIYPFW-CYBMUJFWSA-N -1 1 267.325 1.500 20 0 CDADMM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1[nH]nc2ccccc21 ZINC000833505453 604767263 /nfs/dbraw/zinc/76/72/63/604767263.db2.gz JUIVLGKBJFRRMZ-AWEZNQCLSA-N -1 1 291.351 1.873 20 0 CDADMM CC1(C)C[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824795980 607714264 /nfs/dbraw/zinc/71/42/64/607714264.db2.gz KOZNMGNZOJBRDS-VIFPVBQESA-N -1 1 273.296 1.351 20 0 CDADMM CC1(C)C[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824795980 607714266 /nfs/dbraw/zinc/71/42/66/607714266.db2.gz KOZNMGNZOJBRDS-VIFPVBQESA-N -1 1 273.296 1.351 20 0 CDADMM C[C@@H]1CN(C)C[C@@H](C)N1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833620061 604797100 /nfs/dbraw/zinc/79/71/00/604797100.db2.gz BZAWRLMVJHIVFH-VXGBXAGGSA-N -1 1 290.363 1.478 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CN2CCO[C@@H]3CCCC[C@H]32)O1 ZINC000833579523 604826387 /nfs/dbraw/zinc/82/63/87/604826387.db2.gz OBVCYVDFHOLRIX-MRVWCRGKSA-N -1 1 281.352 1.777 20 0 CDADMM CCOC(=O)[C@@H](C)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833655535 604954100 /nfs/dbraw/zinc/95/41/00/604954100.db2.gz CKGFRCBJYBCTSY-GHMZBOCLSA-N -1 1 271.357 1.761 20 0 CDADMM Cc1nn(C)c(C)c1CN[C@@H](C(=O)[O-])c1cccnc1 ZINC000833014408 604999486 /nfs/dbraw/zinc/99/94/86/604999486.db2.gz VILUIRNNAGSOIW-CYBMUJFWSA-N -1 1 274.324 1.347 20 0 CDADMM CN(CC(=O)NCc1ccc(C(=O)[O-])o1)[C@@H]1CCSC1 ZINC000833692739 605046123 /nfs/dbraw/zinc/04/61/23/605046123.db2.gz VJKJRXBIPVOSAB-SECBINFHSA-N -1 1 298.364 1.031 20 0 CDADMM CC(C)N1C[C@@H](NCc2ccoc2C(=O)[O-])CC1=O ZINC000833499462 605103812 /nfs/dbraw/zinc/10/38/12/605103812.db2.gz GROCQYQZSGGCDG-JTQLQIEISA-N -1 1 266.297 1.077 20 0 CDADMM CC[N@H+]1C[C@H](C)N(C(=O)c2cccc(C(=O)[O-])c2)C[C@@H]1C ZINC000820348301 605132989 /nfs/dbraw/zinc/13/29/89/605132989.db2.gz QJSNGGVADABVSR-RYUDHWBXSA-N -1 1 290.363 1.940 20 0 CDADMM CCN1C[C@H](C)N(C(=O)c2cccc(C(=O)[O-])c2)C[C@@H]1C ZINC000820348301 605132992 /nfs/dbraw/zinc/13/29/92/605132992.db2.gz QJSNGGVADABVSR-RYUDHWBXSA-N -1 1 290.363 1.940 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1=CCCC1 ZINC000833618965 605168349 /nfs/dbraw/zinc/16/83/49/605168349.db2.gz HNHWZHVVAJEDEP-NSHDSACASA-N -1 1 266.341 1.104 20 0 CDADMM C[C@@]1(O)CCN(Cc2cc(C(=O)[O-])ccc2F)C1 ZINC000231035458 605836949 /nfs/dbraw/zinc/83/69/49/605836949.db2.gz NDFLOSLULKQGIW-CYBMUJFWSA-N -1 1 253.273 1.481 20 0 CDADMM C[C@H](OC(=O)c1sccc1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC000820518795 606182274 /nfs/dbraw/zinc/18/22/74/606182274.db2.gz KYWUJRRNRXJNTO-JGVFFNPUSA-N -1 1 294.336 1.510 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cscn1 ZINC000823294675 606195916 /nfs/dbraw/zinc/19/59/16/606195916.db2.gz MNCOKRLMXCYKPY-UHFFFAOYSA-N -1 1 288.292 1.281 20 0 CDADMM O=C(NC[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)s1 ZINC000823176510 606535443 /nfs/dbraw/zinc/53/54/43/606535443.db2.gz UUHZVGQWGMVFPZ-QMMMGPOBSA-N -1 1 293.352 1.227 20 0 CDADMM O=C(NC[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)s1 ZINC000823176510 606535445 /nfs/dbraw/zinc/53/54/45/606535445.db2.gz UUHZVGQWGMVFPZ-QMMMGPOBSA-N -1 1 293.352 1.227 20 0 CDADMM O=C(CCc1ccoc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822982608 606608396 /nfs/dbraw/zinc/60/83/96/606608396.db2.gz FCGKNQWXUSRFDC-UHFFFAOYSA-N -1 1 299.290 1.737 20 0 CDADMM Fc1ccc(Cn2ccnc2-c2nnn[n-]2)c(Cl)c1 ZINC000822773928 606655197 /nfs/dbraw/zinc/65/51/97/606655197.db2.gz AVSJMVLSBHLKLV-UHFFFAOYSA-N -1 1 278.678 1.904 20 0 CDADMM Fc1ccc(Cn2ccnc2-c2nn[n-]n2)c(Cl)c1 ZINC000822773928 606655198 /nfs/dbraw/zinc/65/51/98/606655198.db2.gz AVSJMVLSBHLKLV-UHFFFAOYSA-N -1 1 278.678 1.904 20 0 CDADMM Fc1ccc(CNc2cccc(-c3nnn[n-]3)n2)nc1 ZINC000822771427 606882142 /nfs/dbraw/zinc/88/21/42/606882142.db2.gz HJSZEXREEBGUTQ-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM Fc1ccc(CNc2cccc(-c3nn[n-]n3)n2)nc1 ZINC000822771427 606882144 /nfs/dbraw/zinc/88/21/44/606882144.db2.gz HJSZEXREEBGUTQ-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC2(CCC2)C1 ZINC000823478706 606958458 /nfs/dbraw/zinc/95/84/58/606958458.db2.gz PVLCEUJNKNMPEK-UHFFFAOYSA-N -1 1 284.323 1.278 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC2(CCC2)C1 ZINC000823478706 606958460 /nfs/dbraw/zinc/95/84/60/606958460.db2.gz PVLCEUJNKNMPEK-UHFFFAOYSA-N -1 1 284.323 1.278 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cccnc1 ZINC000823436232 607185682 /nfs/dbraw/zinc/18/56/82/607185682.db2.gz MZKRUVNOKGWIDT-UHFFFAOYSA-N -1 1 282.263 1.014 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cccnc1 ZINC000823436232 607185683 /nfs/dbraw/zinc/18/56/83/607185683.db2.gz MZKRUVNOKGWIDT-UHFFFAOYSA-N -1 1 282.263 1.014 20 0 CDADMM CC[C@H](C)OCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825075530 607780758 /nfs/dbraw/zinc/78/07/58/607780758.db2.gz PEHGPVRDYMNJBZ-QMMMGPOBSA-N -1 1 291.311 1.326 20 0 CDADMM CC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)OC ZINC000825153177 608103838 /nfs/dbraw/zinc/10/38/38/608103838.db2.gz HAEQXDNMSUCLDM-ZCFIWIBFSA-N -1 1 296.308 1.037 20 0 CDADMM CC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)OC ZINC000825153177 608103839 /nfs/dbraw/zinc/10/38/39/608103839.db2.gz HAEQXDNMSUCLDM-ZCFIWIBFSA-N -1 1 296.308 1.037 20 0 CDADMM O=Cc1cccc(Oc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826483905 608388598 /nfs/dbraw/zinc/38/85/98/608388598.db2.gz FLRUAEBCVIZVDO-UHFFFAOYSA-N -1 1 268.236 1.262 20 0 CDADMM O=Cc1cccc(Oc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826483905 608388600 /nfs/dbraw/zinc/38/86/00/608388600.db2.gz FLRUAEBCVIZVDO-UHFFFAOYSA-N -1 1 268.236 1.262 20 0 CDADMM Cc1cccc(CN(C)c2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826298473 608401825 /nfs/dbraw/zinc/40/18/25/608401825.db2.gz UPNGJYXZUJCPMC-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1cccc(CN(C)c2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826298473 608401827 /nfs/dbraw/zinc/40/18/27/608401827.db2.gz UPNGJYXZUJCPMC-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM c1ccc2c(c1)OC[C@@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826523956 608407882 /nfs/dbraw/zinc/40/78/82/608407882.db2.gz DCZCCEYEYJNHCE-JTQLQIEISA-N -1 1 281.279 1.202 20 0 CDADMM c1ccc2c(c1)OC[C@@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826523956 608407883 /nfs/dbraw/zinc/40/78/83/608407883.db2.gz DCZCCEYEYJNHCE-JTQLQIEISA-N -1 1 281.279 1.202 20 0 CDADMM CO[C@H]1CCC[C@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC000826145272 608416546 /nfs/dbraw/zinc/41/65/46/608416546.db2.gz CQYWIGFGQZWLBF-ONGXEEELSA-N -1 1 274.328 1.489 20 0 CDADMM CO[C@H]1CCC[C@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC000826145272 608416548 /nfs/dbraw/zinc/41/65/48/608416548.db2.gz CQYWIGFGQZWLBF-ONGXEEELSA-N -1 1 274.328 1.489 20 0 CDADMM CN(CCc1ccccc1F)c1ccc(-c2nnn[n-]2)nn1 ZINC000825946410 608416904 /nfs/dbraw/zinc/41/69/04/608416904.db2.gz WYUIEOXSZMGPFC-UHFFFAOYSA-N -1 1 299.313 1.475 20 0 CDADMM CN(CCc1ccccc1F)c1ccc(-c2nn[n-]n2)nn1 ZINC000825946410 608416905 /nfs/dbraw/zinc/41/69/05/608416905.db2.gz WYUIEOXSZMGPFC-UHFFFAOYSA-N -1 1 299.313 1.475 20 0 CDADMM c1cn(Cc2ccc3ccccc3n2)c(-c2nnn[n-]2)n1 ZINC000826524526 608891399 /nfs/dbraw/zinc/89/13/99/608891399.db2.gz YKNDOWZROOEYBB-UHFFFAOYSA-N -1 1 277.291 1.660 20 0 CDADMM c1cn(Cc2ccc3ccccc3n2)c(-c2nn[n-]n2)n1 ZINC000826524526 608891403 /nfs/dbraw/zinc/89/14/03/608891403.db2.gz YKNDOWZROOEYBB-UHFFFAOYSA-N -1 1 277.291 1.660 20 0 CDADMM O=C(O[C@@H]1C=CCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000826461893 609158887 /nfs/dbraw/zinc/15/88/87/609158887.db2.gz JJFVLXIUDDYAPS-SSDOTTSWSA-N -1 1 262.294 1.804 20 0 CDADMM O=C(O[C@@H]1C=CCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000826461893 609158890 /nfs/dbraw/zinc/15/88/90/609158890.db2.gz JJFVLXIUDDYAPS-SSDOTTSWSA-N -1 1 262.294 1.804 20 0 CDADMM CC(C)[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000824226310 609320558 /nfs/dbraw/zinc/32/05/58/609320558.db2.gz XZZATTHBGWOQFL-NSHDSACASA-N -1 1 274.328 1.123 20 0 CDADMM CC(C)[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000824226310 609320559 /nfs/dbraw/zinc/32/05/59/609320559.db2.gz XZZATTHBGWOQFL-NSHDSACASA-N -1 1 274.328 1.123 20 0 CDADMM CC(C)c1nnc(CNc2cccc(-c3nnn[n-]3)n2)n1C ZINC000824364786 609585058 /nfs/dbraw/zinc/58/50/58/609585058.db2.gz UPGZXILQNFYSIF-UHFFFAOYSA-N -1 1 299.342 1.126 20 0 CDADMM CC(C)c1nnc(CNc2cccc(-c3nn[n-]n3)n2)n1C ZINC000824364786 609585060 /nfs/dbraw/zinc/58/50/60/609585060.db2.gz UPGZXILQNFYSIF-UHFFFAOYSA-N -1 1 299.342 1.126 20 0 CDADMM O=C(c1ncc2ccccc2c1[O-])N1CC[C@@H](O)[C@@H](F)C1 ZINC000890682647 617267999 /nfs/dbraw/zinc/26/79/99/617267999.db2.gz AOCXIZCQTBUWSP-NWDGAFQWSA-N -1 1 290.294 1.485 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@H](O)[C@H](F)C1 ZINC000890692765 617278736 /nfs/dbraw/zinc/27/87/36/617278736.db2.gz XCVVZNMAIZLEDL-KOLCDFICSA-N -1 1 257.236 1.076 20 0 CDADMM O=C(N[C@H]1COC[C@@H]1C1CC1)C(=O)c1ccc([O-])cc1 ZINC000891048032 617356394 /nfs/dbraw/zinc/35/63/94/617356394.db2.gz UQHMCJDXGGPOJH-OLZOCXBDSA-N -1 1 275.304 1.116 20 0 CDADMM O=S(=O)([N-]CCC1CC1)c1ccc(F)nc1F ZINC000866886339 617428411 /nfs/dbraw/zinc/42/84/11/617428411.db2.gz XCFZOUOISYPWDE-UHFFFAOYSA-N -1 1 262.281 1.438 20 0 CDADMM CC(=O)N1CC[C@](C)(C(=O)[N-]OC2CCCCC2)C1 ZINC000779319656 617432454 /nfs/dbraw/zinc/43/24/54/617432454.db2.gz CQNQTGWFSPOGKZ-AWEZNQCLSA-N -1 1 268.357 1.625 20 0 CDADMM COCc1nc(NC[C@H](O)CC(C)C)cc(=O)[n-]1 ZINC000892131766 617497264 /nfs/dbraw/zinc/49/72/64/617497264.db2.gz ORIGTDAPDOEVKL-SECBINFHSA-N -1 1 255.318 1.148 20 0 CDADMM COCc1nc(NCC2(O)CCCCCC2)cc(=O)[n-]1 ZINC000892588720 617522215 /nfs/dbraw/zinc/52/22/15/617522215.db2.gz JDUJKYIJLPIHCM-UHFFFAOYSA-N -1 1 281.356 1.826 20 0 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/nfs/dbraw/zinc/79/38/05/628793805.db2.gz GQGJZMUJEFWWSY-MRVPVSSYSA-N -1 1 268.288 1.090 20 0 CDADMM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)CCc1cnc[nH]1 ZINC000909998551 628808555 /nfs/dbraw/zinc/80/85/55/628808555.db2.gz GVFJKXVMSWLJQB-MFKMUULPSA-N -1 1 265.313 1.102 20 0 CDADMM CC1CCN(CC(=O)N2CCCCC[C@@H]2C(=O)[O-])CC1 ZINC000910044297 628839948 /nfs/dbraw/zinc/83/99/48/628839948.db2.gz NIZPYTMYWGNBFC-CYBMUJFWSA-N -1 1 282.384 1.574 20 0 CDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)C(C)(C)C2CC2)CC1 ZINC000910174125 628887496 /nfs/dbraw/zinc/88/74/96/628887496.db2.gz QPYMKZZYDCHMDK-NSHDSACASA-N -1 1 282.384 1.430 20 0 CDADMM C[C@@H]1CN(c2ccncc2C(F)(F)F)C[C@H](C(=O)[O-])O1 ZINC000910319863 628994902 /nfs/dbraw/zinc/99/49/02/628994902.db2.gz GTOFVYCAZCTRRQ-GMSGAONNSA-N -1 1 290.241 1.779 20 0 CDADMM Cc1cc(C[C@@H](C)Nc2ncc(C(=O)[O-])s2)[nH]n1 ZINC000910356672 629024568 /nfs/dbraw/zinc/02/45/68/629024568.db2.gz FRLQSGFWJTYPPI-ZCFIWIBFSA-N -1 1 266.326 1.916 20 0 CDADMM Cc1nc2c(cccc2C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])[nH]1 ZINC000910441673 629068266 /nfs/dbraw/zinc/06/82/66/629068266.db2.gz OAVMGKTZEMVTFO-KWQFWETISA-N -1 1 291.282 1.509 20 0 CDADMM CCC(=O)N[C@H](C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910981029 629134278 /nfs/dbraw/zinc/13/42/78/629134278.db2.gz JGVNHRGAAGCLBV-ZCFIWIBFSA-N -1 1 272.251 1.524 20 0 CDADMM O=C(C[C@@H]1COC(=O)C1)Nc1cc(F)cc(F)c1[O-] ZINC000910982201 629135445 /nfs/dbraw/zinc/13/54/45/629135445.db2.gz MDIMKTSFLSWNRX-LURJTMIESA-N -1 1 271.219 1.562 20 0 CDADMM NC(=O)[C@H]1CCC[C@H](C(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC000910986815 629137438 /nfs/dbraw/zinc/13/74/38/629137438.db2.gz BLBDLEPSJDRATD-YUMQZZPRSA-N -1 1 298.289 1.901 20 0 CDADMM O=C([O-])c1ccc(CCC(=O)N2CCc3nc[nH]c3C2)cc1 ZINC000911384679 629248544 /nfs/dbraw/zinc/24/85/44/629248544.db2.gz DXNWSPDEXXVUTC-UHFFFAOYSA-N -1 1 299.330 1.625 20 0 CDADMM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000911394823 629264327 /nfs/dbraw/zinc/26/43/27/629264327.db2.gz DVMQQMJXQCNAFD-SECBINFHSA-N -1 1 261.281 1.921 20 0 CDADMM C[C@@H]1CN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)[C@H](C)CN1C ZINC000911442778 629285678 /nfs/dbraw/zinc/28/56/78/629285678.db2.gz YGLVAHYOSLQDGU-CPWXYTRJSA-N -1 1 294.395 1.573 20 0 CDADMM C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000911465424 629291375 /nfs/dbraw/zinc/29/13/75/629291375.db2.gz YWQJFRNPZMLPCI-UWVGGRQHSA-N -1 1 292.335 1.902 20 0 CDADMM CC[C@@H]1CN(CC)CCN1C(=O)[C@H](C(=O)[O-])C(C)C ZINC000911572085 629333044 /nfs/dbraw/zinc/33/30/44/629333044.db2.gz MFPXTRLSJXNEMO-VXGBXAGGSA-N -1 1 270.373 1.286 20 0 CDADMM O=C([O-])Cc1cccc(C(=O)NCCN2CC=CCC2)c1 ZINC000911717154 629433831 /nfs/dbraw/zinc/43/38/31/629433831.db2.gz GFWMZUOEHOSKCL-UHFFFAOYSA-N -1 1 288.347 1.305 20 0 CDADMM CN(C[Si](C)(C)C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000911723700 629440040 /nfs/dbraw/zinc/44/00/40/629440040.db2.gz CKPVOQPCIYCASK-UHFFFAOYSA-N -1 1 265.385 1.911 20 0 CDADMM CN1CCN(C(=O)Cc2cccc(C(=O)[O-])c2)CC1(C)C ZINC000911723346 629440198 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630513590 /nfs/dbraw/zinc/51/35/90/630513590.db2.gz KRYGIOFBDYPZMU-NWDGAFQWSA-N -1 1 295.387 1.562 20 0 CDADMM Cc1noc([N-]C(=O)c2cnn(-c3ccc(F)cc3)n2)n1 ZINC000156701325 630569658 /nfs/dbraw/zinc/56/96/58/630569658.db2.gz ANUAQNBIXOJBBX-UHFFFAOYSA-N -1 1 288.242 1.350 20 0 CDADMM CC(C)C[C@@H]1CCCN(C(=O)Cc2sc(N)nc2[O-])C1 ZINC000152167000 630912643 /nfs/dbraw/zinc/91/26/43/630912643.db2.gz NQIDCLTWJCIRQN-QWRGUYRKSA-N -1 1 297.424 1.618 20 0 CDADMM CCCc1cc(=O)[n-]c(SCCOC(C)=O)n1 ZINC000915652943 631786732 /nfs/dbraw/zinc/78/67/32/631786732.db2.gz NNPBSQVXGFIKRQ-UHFFFAOYSA-N -1 1 256.327 1.790 20 0 CDADMM C[C@@H](C[C@H](O)c1ccco1)NC(=O)c1ncccc1[O-] ZINC000153985443 631989667 /nfs/dbraw/zinc/98/96/67/631989667.db2.gz SXDCENYEALQUTJ-ONGXEEELSA-N -1 1 276.292 1.622 20 0 CDADMM O=C(c1ncc2ccccc2c1[O-])N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000924009609 632180792 /nfs/dbraw/zinc/18/07/92/632180792.db2.gz WLVDTZDGLUNZMN-KWCYVHTRSA-N -1 1 298.342 1.783 20 0 CDADMM CC(C)[C@@H](NCC(=O)N[C@@H](C)c1ccc(F)cc1)C(=O)[O-] ZINC000035406289 632314342 /nfs/dbraw/zinc/31/43/42/632314342.db2.gz LLUAFAVMKSXXIE-IINYFYTJSA-N -1 1 296.342 1.702 20 0 CDADMM O=C([N-]c1nnc(-c2ccccn2)s1)c1ccc[n+]([O-])c1 ZINC000918683872 632408842 /nfs/dbraw/zinc/40/88/42/632408842.db2.gz HEZYDRNPLFAROR-UHFFFAOYSA-N -1 1 299.315 1.486 20 0 CDADMM CCC[C@@](C)(NCC(=O)Nc1ccc(Cl)cn1)C(=O)[O-] ZINC000736963769 633227703 /nfs/dbraw/zinc/22/77/03/633227703.db2.gz LTNKTTRVGGFVKX-CYBMUJFWSA-N -1 1 299.758 1.907 20 0 CDADMM Cc1ccc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)nc1 ZINC001170213428 1162301551 /nfs/dbraw/zinc/30/15/51/1162301551.db2.gz HQCJZVPIRHRBCY-UHFFFAOYSA-N -1 1 258.241 1.163 20 0 CDADMM COc1cc(Nc2[n-]c(=O)nc3nc[nH]c32)ncc1F ZINC001170226112 1162316007 /nfs/dbraw/zinc/31/60/07/1162316007.db2.gz BLUOXZYBTLDXGN-UHFFFAOYSA-N -1 1 276.231 1.345 20 0 CDADMM Cc1nc2c(c(Nc3[n-]c(=O)nc4nc[nH]c43)n1)CCCC2 ZINC001170226583 1162316664 /nfs/dbraw/zinc/31/66/64/1162316664.db2.gz PFYJEEUHZORECI-UHFFFAOYSA-N -1 1 297.322 1.779 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2nnc(Cl)nc2Cl)[n-]1 ZINC001170226904 1162316745 /nfs/dbraw/zinc/31/67/45/1162316745.db2.gz BIONDHPMLJUKHG-UHFFFAOYSA-N -1 1 299.081 1.294 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2cnc3c(c2)CN=N3)[n-]1 ZINC001170229829 1162318783 /nfs/dbraw/zinc/31/87/83/1162318783.db2.gz DYEOLRYBOQFJCM-UHFFFAOYSA-N -1 1 268.240 1.794 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2cc3[nH]cnc3c(F)c2)[n-]1 ZINC001170229706 1162319176 /nfs/dbraw/zinc/31/91/76/1162319176.db2.gz YEJYGWXDIMIDOQ-UHFFFAOYSA-N -1 1 285.242 1.818 20 0 CDADMM CC(C)Oc1cccnc1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170229960 1162319357 /nfs/dbraw/zinc/31/93/57/1162319357.db2.gz HGHYZVJEBKTXOL-UHFFFAOYSA-N -1 1 286.295 1.984 20 0 CDADMM O=C1COc2cnc(-c3cccc([O-])c3F)nc2N1 ZINC001243546517 1162409179 /nfs/dbraw/zinc/40/91/79/1162409179.db2.gz OQAKZOXZEPRBIU-UHFFFAOYSA-N -1 1 261.212 1.319 20 0 CDADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C(C)=C(C)C)c1 ZINC000794124274 1162459742 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O=c1cc(C(F)F)nc(SCCN2CCOCC2)[n-]1 ZINC000809986739 1163135871 /nfs/dbraw/zinc/13/58/71/1163135871.db2.gz NCHXAGZZILZGCL-UHFFFAOYSA-N -1 1 291.323 1.544 20 0 CDADMM C[C@H](NC(=O)c1ccsc1C(=O)[O-])C1=NN(C)CC1=O ZINC001604316562 1163147755 /nfs/dbraw/zinc/14/77/55/1163147755.db2.gz OWXNPYLUMWUPGI-LURJTMIESA-N -1 1 295.320 1.376 20 0 CDADMM C[C@@H](NC(=O)c1ccsc1C(=O)[O-])C1=NN(C)CC1=O ZINC001604316563 1163148235 /nfs/dbraw/zinc/14/82/35/1163148235.db2.gz OWXNPYLUMWUPGI-ZCFIWIBFSA-N -1 1 295.320 1.376 20 0 CDADMM C[C@H](O)CN1CCN(Cc2cc(C(=O)[O-])cs2)[C@@H](C)C1 ZINC001604386828 1163171557 /nfs/dbraw/zinc/17/15/57/1163171557.db2.gz DVMFKRRAOQUOHW-QWRGUYRKSA-N -1 1 298.408 1.333 20 0 CDADMM CC(C)Cc1ccccc1C(=O)NN1CC(=O)[N-]C1=O ZINC000790331665 1162143549 /nfs/dbraw/zinc/14/35/49/1162143549.db2.gz NWUMHIUWPJSTRB-UHFFFAOYSA-N -1 1 275.308 1.082 20 0 CDADMM C[C@]1(C(=O)[O-])CCCN(Cc2cn(C3CC3)cn2)C1 ZINC001604496865 1163208524 /nfs/dbraw/zinc/20/85/24/1163208524.db2.gz UQXQZWOPUNIVJA-AWEZNQCLSA-N -1 1 263.341 1.905 20 0 CDADMM CC1(C)[C@H](O)CCN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001604507963 1163211347 /nfs/dbraw/zinc/21/13/47/1163211347.db2.gz AFLDTZDDYJADLO-GFCCVEGCSA-N -1 1 289.335 1.606 20 0 CDADMM CC1(C)CC[C@@H](O)[C@H](NCc2ncc(C(=O)[O-])s2)C1 ZINC001604539090 1163223314 /nfs/dbraw/zinc/22/33/14/1163223314.db2.gz PGWRMPRROTWPBU-RKDXNWHRSA-N -1 1 284.381 1.871 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](C)C[C@@H]2C)n1 ZINC001604544481 1163225979 /nfs/dbraw/zinc/22/59/79/1163225979.db2.gz ZTEBWEVLKWJAHB-IUCAKERBSA-N -1 1 273.344 1.454 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](C)C[C@@H]2C)n1 ZINC001604544481 1163225985 /nfs/dbraw/zinc/22/59/85/1163225985.db2.gz ZTEBWEVLKWJAHB-IUCAKERBSA-N -1 1 273.344 1.454 20 0 CDADMM CN(C)c1cc(F)cc(Nc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001604697734 1163286676 /nfs/dbraw/zinc/28/66/76/1163286676.db2.gz RUCXAZMYBPBACB-UHFFFAOYSA-N -1 1 299.313 1.632 20 0 CDADMM CN(C)c1cc(F)cc(Nc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001604697734 1163286681 /nfs/dbraw/zinc/28/66/81/1163286681.db2.gz RUCXAZMYBPBACB-UHFFFAOYSA-N -1 1 299.313 1.632 20 0 CDADMM CC(C)[C@H](NC(=O)CN1C[C@H](C)CC[C@@H]1C)C(=O)[O-] ZINC001604698231 1163287446 /nfs/dbraw/zinc/28/74/46/1163287446.db2.gz OQZYRKUQTSQTRJ-MDZLAQPJSA-N -1 1 270.373 1.332 20 0 CDADMM C[C@@H]1CCN(Cc2ccccc2C(=O)[O-])[C@H](C(N)=O)C1 ZINC001604756979 1163313862 /nfs/dbraw/zinc/31/38/62/1163313862.db2.gz BCIHTOWZENAQEB-MFKMUULPSA-N -1 1 276.336 1.471 20 0 CDADMM CCC(C)(C)NC(=O)CN[C@](C)(CCF)C(=O)[O-] ZINC001604895592 1163372396 /nfs/dbraw/zinc/37/23/96/1163372396.db2.gz PJMXLJOPAQBIAW-GFCCVEGCSA-N -1 1 262.325 1.084 20 0 CDADMM COCc1cccc(Cn2ccc(-c3nn[n-]n3)cc2=O)c1 ZINC001605133780 1163462259 /nfs/dbraw/zinc/46/22/59/1163462259.db2.gz QXCGSHSFFFJZQC-UHFFFAOYSA-N -1 1 297.318 1.223 20 0 CDADMM CCCCC[C@H](NC(=O)c1cc(C(C)(C)N)no1)C(=O)[O-] ZINC001605258605 1163505826 /nfs/dbraw/zinc/50/58/26/1163505826.db2.gz JGUUKNAPNMDHFW-VIFPVBQESA-N -1 1 297.355 1.632 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccccn1 ZINC001605404316 1163551253 /nfs/dbraw/zinc/55/12/53/1163551253.db2.gz GNFMCPFRNZSZJN-MRVPVSSYSA-N -1 1 284.279 1.346 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccccn1 ZINC001605404316 1163551256 /nfs/dbraw/zinc/55/12/56/1163551256.db2.gz GNFMCPFRNZSZJN-MRVPVSSYSA-N -1 1 284.279 1.346 20 0 CDADMM Cc1cc(C)c(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)[nH]1 ZINC001605640313 1163632160 /nfs/dbraw/zinc/63/21/60/1163632160.db2.gz MSHQIWSZKULSKX-UHFFFAOYSA-N -1 1 297.322 1.137 20 0 CDADMM Cc1cc(C)c(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)[nH]1 ZINC001605640313 1163632164 /nfs/dbraw/zinc/63/21/64/1163632164.db2.gz MSHQIWSZKULSKX-UHFFFAOYSA-N -1 1 297.322 1.137 20 0 CDADMM Cc1cc(CSc2cc(-c3nnn[n-]3)ncn2)no1 ZINC001605667529 1163639673 /nfs/dbraw/zinc/63/96/73/1163639673.db2.gz ULXHUEXHFNZLLA-UHFFFAOYSA-N -1 1 275.297 1.245 20 0 CDADMM Cc1cc(CSc2cc(-c3nn[n-]n3)ncn2)no1 ZINC001605667529 1163639677 /nfs/dbraw/zinc/63/96/77/1163639677.db2.gz ULXHUEXHFNZLLA-UHFFFAOYSA-N -1 1 275.297 1.245 20 0 CDADMM Cc1cc(F)ccc1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001605682496 1163642141 /nfs/dbraw/zinc/64/21/41/1163642141.db2.gz QFJGMGDIXMGYNK-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1cc(F)ccc1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001605682496 1163642144 /nfs/dbraw/zinc/64/21/44/1163642144.db2.gz QFJGMGDIXMGYNK-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1ccc(N2CCC[C@@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001605865101 1163696767 /nfs/dbraw/zinc/69/67/67/1163696767.db2.gz RMJGPLKDEDGFME-SECBINFHSA-N -1 1 258.329 1.806 20 0 CDADMM Cc1ccc(N2CCC[C@@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001605865101 1163696771 /nfs/dbraw/zinc/69/67/71/1163696771.db2.gz RMJGPLKDEDGFME-SECBINFHSA-N -1 1 258.329 1.806 20 0 CDADMM Cc1ccc(F)cc1Oc1ncncc1-c1nnn[n-]1 ZINC001605863749 1163696781 /nfs/dbraw/zinc/69/67/81/1163696781.db2.gz DSQAOHAXSVTLDQ-UHFFFAOYSA-N -1 1 272.243 1.897 20 0 CDADMM Cc1ccc(F)cc1Oc1ncncc1-c1nn[n-]n1 ZINC001605863749 1163696784 /nfs/dbraw/zinc/69/67/84/1163696784.db2.gz DSQAOHAXSVTLDQ-UHFFFAOYSA-N -1 1 272.243 1.897 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@H]3CC[C@@H]2O3)c(-c2nnn[n-]2)n1 ZINC001605875258 1163702335 /nfs/dbraw/zinc/70/23/35/1163702335.db2.gz GBSOEDABCTYGTP-IEBDPFPHSA-N -1 1 272.312 1.302 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@H]3CC[C@@H]2O3)c(-c2nn[n-]n2)n1 ZINC001605875258 1163702338 /nfs/dbraw/zinc/70/23/38/1163702338.db2.gz GBSOEDABCTYGTP-IEBDPFPHSA-N -1 1 272.312 1.302 20 0 CDADMM Cc1ccc(NCc2noc(C3CC3)n2)nc1-c1nnn[n-]1 ZINC001605875685 1163702434 /nfs/dbraw/zinc/70/24/34/1163702434.db2.gz VZENTKAMCMHYLD-UHFFFAOYSA-N -1 1 298.310 1.443 20 0 CDADMM Cc1ccc(NCc2noc(C3CC3)n2)nc1-c1nn[n-]n1 ZINC001605875685 1163702440 /nfs/dbraw/zinc/70/24/40/1163702440.db2.gz VZENTKAMCMHYLD-UHFFFAOYSA-N -1 1 298.310 1.443 20 0 CDADMM Cc1ccc(NCCC2CC(O)C2)nc1-c1nnn[n-]1 ZINC001605874878 1163702966 /nfs/dbraw/zinc/70/29/66/1163702966.db2.gz SRQCSWDNBBATPT-UHFFFAOYSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1ccc(NCCC2CC(O)C2)nc1-c1nn[n-]n1 ZINC001605874878 1163702971 /nfs/dbraw/zinc/70/29/71/1163702971.db2.gz SRQCSWDNBBATPT-UHFFFAOYSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cnccc1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001605986462 1163736957 /nfs/dbraw/zinc/73/69/57/1163736957.db2.gz TUIOBJHCANHFBW-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1cnccc1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001605986462 1163736962 /nfs/dbraw/zinc/73/69/62/1163736962.db2.gz TUIOBJHCANHFBW-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@@H]2CC[C@@H](C)O2)c1C ZINC001606020739 1163747692 /nfs/dbraw/zinc/74/76/92/1163747692.db2.gz ANBVNXWKAHTHSJ-XCBNKYQSSA-N -1 1 262.317 1.248 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@@H]2CC[C@@H](C)O2)c1C ZINC001606020739 1163747697 /nfs/dbraw/zinc/74/76/97/1163747697.db2.gz ANBVNXWKAHTHSJ-XCBNKYQSSA-N -1 1 262.317 1.248 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1[C@H](C)C[C@H]1C ZINC001606166110 1163794643 /nfs/dbraw/zinc/79/46/43/1163794643.db2.gz NXTKATZTVDHUNP-RNFRBKRXSA-N -1 1 261.285 1.391 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1[C@H](C)C[C@H]1C ZINC001606166110 1163794647 /nfs/dbraw/zinc/79/46/47/1163794647.db2.gz NXTKATZTVDHUNP-RNFRBKRXSA-N -1 1 261.285 1.391 20 0 CDADMM CN1CCN(C[C@H]2[C@@H](C(=O)[O-])C2(F)F)Cc2cccnc21 ZINC001606239882 1163824390 /nfs/dbraw/zinc/82/43/90/1163824390.db2.gz ZCCMERYADFDXNM-QWRGUYRKSA-N -1 1 297.305 1.299 20 0 CDADMM COC(=O)C[C@@H]1CCCN1Cc1cncc(C(=O)[O-])c1 ZINC001606447587 1163903674 /nfs/dbraw/zinc/90/36/74/1163903674.db2.gz TWAZAYJGDQNFQZ-LBPRGKRZSA-N -1 1 278.308 1.307 20 0 CDADMM O=C(C=C1CCC1)OCc1nc(-c2nnn[n-]2)cs1 ZINC001606478101 1163912030 /nfs/dbraw/zinc/91/20/30/1163912030.db2.gz CWYMELKKHPRNLP-UHFFFAOYSA-N -1 1 277.309 1.477 20 0 CDADMM O=C(C=C1CCC1)OCc1nc(-c2nn[n-]n2)cs1 ZINC001606478101 1163912034 /nfs/dbraw/zinc/91/20/34/1163912034.db2.gz CWYMELKKHPRNLP-UHFFFAOYSA-N -1 1 277.309 1.477 20 0 CDADMM O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc(-c2nnn[n-]2)n1 ZINC001606726515 1163972992 /nfs/dbraw/zinc/97/29/92/1163972992.db2.gz FQMSFMYOVFEGSI-VWYCJHECSA-N -1 1 298.350 1.428 20 0 CDADMM O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc(-c2nn[n-]n2)n1 ZINC001606726515 1163972997 /nfs/dbraw/zinc/97/29/97/1163972997.db2.gz FQMSFMYOVFEGSI-VWYCJHECSA-N -1 1 298.350 1.428 20 0 CDADMM COCC1(O)CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC001606842908 1164012088 /nfs/dbraw/zinc/01/20/88/1164012088.db2.gz XQYLJFANYMULGY-UHFFFAOYSA-N -1 1 297.326 1.497 20 0 CDADMM O[C@@H](CCNc1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001607091612 1164076356 /nfs/dbraw/zinc/07/63/56/1164076356.db2.gz JQHCGDKFNHVMEO-JTQLQIEISA-N -1 1 289.343 1.010 20 0 CDADMM O[C@@H](CCNc1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001607091612 1164076363 /nfs/dbraw/zinc/07/63/63/1164076363.db2.gz JQHCGDKFNHVMEO-JTQLQIEISA-N -1 1 289.343 1.010 20 0 CDADMM c1cc([C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)ccn1 ZINC001607117703 1164099128 /nfs/dbraw/zinc/09/91/28/1164099128.db2.gz RTRVLDYBCAJXRT-ZDUSSCGKSA-N -1 1 294.322 1.615 20 0 CDADMM c1cc([C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)ccn1 ZINC001607117703 1164099134 /nfs/dbraw/zinc/09/91/34/1164099134.db2.gz RTRVLDYBCAJXRT-ZDUSSCGKSA-N -1 1 294.322 1.615 20 0 CDADMM c1nc(-c2nn[n-]n2)nn1CCCOCCc1ccccc1 ZINC001607128081 1164107388 /nfs/dbraw/zinc/10/73/88/1164107388.db2.gz DUTRBYJISOARHN-UHFFFAOYSA-N -1 1 299.338 1.108 20 0 CDADMM c1nc(COc2cccnc2-c2nnn[n-]2)oc1C1CC1 ZINC001607133766 1164112152 /nfs/dbraw/zinc/11/21/52/1164112152.db2.gz PBPOLMIHLYTLFU-UHFFFAOYSA-N -1 1 284.279 1.706 20 0 CDADMM c1nc(COc2cccnc2-c2nn[n-]n2)oc1C1CC1 ZINC001607133766 1164112155 /nfs/dbraw/zinc/11/21/55/1164112155.db2.gz PBPOLMIHLYTLFU-UHFFFAOYSA-N -1 1 284.279 1.706 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCCOC2CCC2)c1 ZINC001607134337 1164114450 /nfs/dbraw/zinc/11/44/50/1164114450.db2.gz YSOXRCTWOLAHGB-UHFFFAOYSA-N -1 1 260.301 1.243 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCCOC2CCC2)c1 ZINC001607134337 1164114453 /nfs/dbraw/zinc/11/44/53/1164114453.db2.gz YSOXRCTWOLAHGB-UHFFFAOYSA-N -1 1 260.301 1.243 20 0 CDADMM Cc1c[nH]nc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001607556441 1164225304 /nfs/dbraw/zinc/22/53/04/1164225304.db2.gz JDPHRLNZMZFYNR-UHFFFAOYSA-N -1 1 285.263 1.545 20 0 CDADMM Cc1cc(C(=O)CN2CC3CC2(C(=O)[O-])C3)c(C)n1C ZINC001607568132 1164226668 /nfs/dbraw/zinc/22/66/68/1164226668.db2.gz ZSTDUVPPYJSHOI-UHFFFAOYSA-N -1 1 276.336 1.374 20 0 CDADMM CCN(C(=O)c1ccc([O-])cc1F)c1cnn(C)c1 ZINC001143808798 1164245181 /nfs/dbraw/zinc/24/51/81/1164245181.db2.gz IJHVKJUNIFDWHT-UHFFFAOYSA-N -1 1 263.272 1.932 20 0 CDADMM Cc1cn2c(nc(CNC3(CC(=O)[O-])CC3)cc2=O)s1 ZINC001607901745 1164329334 /nfs/dbraw/zinc/32/93/34/1164329334.db2.gz UCJFREMZCBDHJM-UHFFFAOYSA-N -1 1 293.348 1.161 20 0 CDADMM Cc1cncc(CN[C@H](C(=O)[O-])c2cccnc2)c1 ZINC001607911246 1164334698 /nfs/dbraw/zinc/33/46/98/1164334698.db2.gz FCCOGOCURUWUFP-ZDUSSCGKSA-N -1 1 257.293 1.701 20 0 CDADMM Cc1nn(C)cc1[C@H](C)NCc1ccoc1C(=O)[O-] ZINC001608003992 1164371799 /nfs/dbraw/zinc/37/17/99/1164371799.db2.gz DZZQCMVVAJAAIW-QMMMGPOBSA-N -1 1 263.297 1.871 20 0 CDADMM NC(=O)c1ccc(CNCc2ccoc2C(=O)[O-])cc1 ZINC001608244143 1164464421 /nfs/dbraw/zinc/46/44/21/1164464421.db2.gz HBERTNAYMGMPBH-UHFFFAOYSA-N -1 1 274.276 1.367 20 0 CDADMM Nc1c(NC(=O)c2ccc3cncn3c2)cccc1C(=O)[O-] ZINC001608270984 1164474536 /nfs/dbraw/zinc/47/45/36/1164474536.db2.gz WQBDFYGMEXXERH-UHFFFAOYSA-N -1 1 296.286 1.867 20 0 CDADMM Cc1cc(CNCc2cn(C)nc2C(=O)[O-])cc(C)n1 ZINC000864787783 1164583843 /nfs/dbraw/zinc/58/38/43/1164583843.db2.gz YTQYTZWNRMVPLM-UHFFFAOYSA-N -1 1 274.324 1.420 20 0 CDADMM O=C([O-])CN(C(=O)c1ccc(CN2CCCC2)o1)C1CC1 ZINC001608743561 1164625847 /nfs/dbraw/zinc/62/58/47/1164625847.db2.gz MAAPZRUZNIAQPV-UHFFFAOYSA-N -1 1 292.335 1.565 20 0 CDADMM O=C([O-])c1ccc(-c2nc([C@H]3CCCN3)no2)s1 ZINC001608869127 1164666430 /nfs/dbraw/zinc/66/64/30/1164666430.db2.gz UHCSPAISBKMPCW-ZCFIWIBFSA-N -1 1 265.294 1.921 20 0 CDADMM O=C([O-])c1n[nH]cc1NC(=O)c1cccc2cn[nH]c21 ZINC001608995012 1164713380 /nfs/dbraw/zinc/71/33/80/1164713380.db2.gz AQPGTASYFFLADA-UHFFFAOYSA-N -1 1 271.236 1.237 20 0 CDADMM O=C([O-])c1ncn(CN2CCCC3(CC3)CC2)n1 ZINC001609002319 1164719270 /nfs/dbraw/zinc/71/92/70/1164719270.db2.gz NANANZBDTUIARL-UHFFFAOYSA-N -1 1 250.302 1.200 20 0 CDADMM C[C@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccncc1 ZINC001609133305 1164787757 /nfs/dbraw/zinc/78/77/57/1164787757.db2.gz YXLNSDWWQKONBR-VIFPVBQESA-N -1 1 296.290 1.575 20 0 CDADMM C[C@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccncc1 ZINC001609133305 1164787761 /nfs/dbraw/zinc/78/77/61/1164787761.db2.gz YXLNSDWWQKONBR-VIFPVBQESA-N -1 1 296.290 1.575 20 0 CDADMM CC1(C)C[C@@H](CNc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001609144291 1164794756 /nfs/dbraw/zinc/79/47/56/1164794756.db2.gz PKVFUEFBVCRLKM-JTQLQIEISA-N -1 1 288.355 1.879 20 0 CDADMM CC1(C)C[C@@H](CNc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001609144291 1164794764 /nfs/dbraw/zinc/79/47/64/1164794764.db2.gz PKVFUEFBVCRLKM-JTQLQIEISA-N -1 1 288.355 1.879 20 0 CDADMM CC1(CO)CN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC001609150171 1164796891 /nfs/dbraw/zinc/79/68/91/1164796891.db2.gz OVJQVNSQDSFDHO-UHFFFAOYSA-N -1 1 296.334 1.234 20 0 CDADMM CC1(CO)CN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC001609150171 1164796895 /nfs/dbraw/zinc/79/68/95/1164796895.db2.gz OVJQVNSQDSFDHO-UHFFFAOYSA-N -1 1 296.334 1.234 20 0 CDADMM CC1=C(C)CN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001609151241 1164798706 /nfs/dbraw/zinc/79/87/06/1164798706.db2.gz DODRWLCVWJEAOP-UHFFFAOYSA-N -1 1 257.301 1.203 20 0 CDADMM CC1=C(C)CN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001609151241 1164798711 /nfs/dbraw/zinc/79/87/11/1164798711.db2.gz DODRWLCVWJEAOP-UHFFFAOYSA-N -1 1 257.301 1.203 20 0 CDADMM CC1=C(C)CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001609151093 1164800557 /nfs/dbraw/zinc/80/05/57/1164800557.db2.gz AYLCYAAWZLOZRL-UHFFFAOYSA-N -1 1 284.323 1.444 20 0 CDADMM CC1=C(C)CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001609151093 1164800561 /nfs/dbraw/zinc/80/05/61/1164800561.db2.gz AYLCYAAWZLOZRL-UHFFFAOYSA-N -1 1 284.323 1.444 20 0 CDADMM C[C@H]1C[C@@H](CCNc2cccnc2-c2nnn[n-]2)CCO1 ZINC001609156121 1164801631 /nfs/dbraw/zinc/80/16/31/1164801631.db2.gz CGBSFBRQDYHFCG-QWRGUYRKSA-N -1 1 288.355 1.879 20 0 CDADMM C[C@H]1C[C@@H](CCNc2cccnc2-c2nn[n-]n2)CCO1 ZINC001609156121 1164801636 /nfs/dbraw/zinc/80/16/36/1164801636.db2.gz CGBSFBRQDYHFCG-QWRGUYRKSA-N -1 1 288.355 1.879 20 0 CDADMM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1cncc(-c2nnn[n-]2)n1 ZINC001609159709 1164807319 /nfs/dbraw/zinc/80/73/19/1164807319.db2.gz SFINTGAVEWKEOP-SCVCMEIPSA-N -1 1 285.355 1.814 20 0 CDADMM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1cncc(-c2nn[n-]n2)n1 ZINC001609159709 1164807324 /nfs/dbraw/zinc/80/73/24/1164807324.db2.gz SFINTGAVEWKEOP-SCVCMEIPSA-N -1 1 285.355 1.814 20 0 CDADMM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001609172193 1164813650 /nfs/dbraw/zinc/81/36/50/1164813650.db2.gz POXVTQRJWSJYMK-KXUCPTDWSA-N -1 1 286.339 1.378 20 0 CDADMM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001609172193 1164813656 /nfs/dbraw/zinc/81/36/56/1164813656.db2.gz POXVTQRJWSJYMK-KXUCPTDWSA-N -1 1 286.339 1.378 20 0 CDADMM CC[C@H](C)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609187153 1164830552 /nfs/dbraw/zinc/83/05/52/1164830552.db2.gz WBJXMBJQFSKHIT-LURJTMIESA-N -1 1 251.315 1.457 20 0 CDADMM CC[C@H]1CN(c2cc(C)nc(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC001609202543 1164840756 /nfs/dbraw/zinc/84/07/56/1164840756.db2.gz KFQJNVNYSLFRHD-JQWIXIFHSA-N -1 1 288.355 1.574 20 0 CDADMM CC[C@H]1CN(c2cc(C)nc(-c3nn[n-]n3)c2)C[C@H](C)O1 ZINC001609202543 1164840761 /nfs/dbraw/zinc/84/07/61/1164840761.db2.gz KFQJNVNYSLFRHD-JQWIXIFHSA-N -1 1 288.355 1.574 20 0 CDADMM CC/C=C/CCn1c(=O)ccc(-c2nn[n-]n2)c1OC ZINC001609203602 1164845822 /nfs/dbraw/zinc/84/58/22/1164845822.db2.gz VCDVZUYHSSUHSZ-SNAWJCMRSA-N -1 1 275.312 1.393 20 0 CDADMM CCc1ccc(Cn2cccc(-c3nn[n-]n3)c2=O)nc1 ZINC001609251753 1164864523 /nfs/dbraw/zinc/86/45/23/1164864523.db2.gz MHVMEMITDISTDV-UHFFFAOYSA-N -1 1 282.307 1.034 20 0 CDADMM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001609358063 1164910362 /nfs/dbraw/zinc/91/03/62/1164910362.db2.gz WPQZLZNVWDSFHS-UHFFFAOYSA-N -1 1 285.263 1.721 20 0 CDADMM Cc1ccc(OCCCn2cnc(-c3nn[n-]n3)n2)cc1C ZINC001609427405 1164943179 /nfs/dbraw/zinc/94/31/79/1164943179.db2.gz GZHQESHQNZBGRS-UHFFFAOYSA-N -1 1 299.338 1.544 20 0 CDADMM C=Cn1cc(CN[C@H](C(=O)[O-])c2cccc(O)c2)cn1 ZINC001609488800 1164973526 /nfs/dbraw/zinc/97/35/26/1164973526.db2.gz METYEIKTCNBDJT-ZDUSSCGKSA-N -1 1 273.292 1.605 20 0 CDADMM O=C(O[C@H](C1CC1)C1CCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609573112 1164990892 /nfs/dbraw/zinc/99/08/92/1164990892.db2.gz WIUBPLIMRCGKNC-ZDUSSCGKSA-N -1 1 299.334 1.997 20 0 CDADMM O=C(O[C@H](C1CC1)C1CCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609573112 1164990899 /nfs/dbraw/zinc/99/08/99/1164990899.db2.gz WIUBPLIMRCGKNC-ZDUSSCGKSA-N -1 1 299.334 1.997 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N2CCC3(CCC3)C2)c1 ZINC001609619244 1165016020 /nfs/dbraw/zinc/01/60/20/1165016020.db2.gz MHGUVGWYEGCEEI-UHFFFAOYSA-N -1 1 256.313 1.642 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N2CCC3(CCC3)C2)c1 ZINC001609619244 1165016025 /nfs/dbraw/zinc/01/60/25/1165016025.db2.gz MHGUVGWYEGCEEI-UHFFFAOYSA-N -1 1 256.313 1.642 20 0 CDADMM C[C@@H](CF)NCc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC001609801317 1165086900 /nfs/dbraw/zinc/08/69/00/1165086900.db2.gz PSFCHNZHZTXXMP-UWVGGRQHSA-N -1 1 255.289 1.986 20 0 CDADMM C[C@@H]1CN(Cc2ccccc2C(=O)[O-])C[C@@]2(CCOC2)O1 ZINC001609871199 1165122090 /nfs/dbraw/zinc/12/20/90/1165122090.db2.gz VFKIVFBFKIZPLL-MLGOLLRUSA-N -1 1 291.347 1.765 20 0 CDADMM COC(=O)/C(C)=C\CN[C@](C)(CC(=O)[O-])c1ccccn1 ZINC001610150665 1165237813 /nfs/dbraw/zinc/23/78/13/1165237813.db2.gz MKOXWDUGTSGYHD-OCOPJHETSA-N -1 1 292.335 1.480 20 0 CDADMM Cn1c(C(=O)[O-])ccc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC001610596209 1165369605 /nfs/dbraw/zinc/36/96/05/1165369605.db2.gz KUKGXKKIIFYUAY-UHFFFAOYSA-N -1 1 284.275 1.852 20 0 CDADMM Cn1cc(C[C@@H]2CC[N@@H+](Cc3oncc3C(=O)[O-])C2)cn1 ZINC001610603837 1165373320 /nfs/dbraw/zinc/37/33/20/1165373320.db2.gz QWZNGXWKXIOXFJ-JTQLQIEISA-N -1 1 290.323 1.171 20 0 CDADMM NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccsc1C(=O)[O-] ZINC001610635793 1165388768 /nfs/dbraw/zinc/38/87/68/1165388768.db2.gz XFSJXIYPQQNXAP-LSJOCFKGSA-N -1 1 294.376 1.532 20 0 CDADMM O=C([O-])CC1CC(NCc2cn(-c3ccccc3)nn2)C1 ZINC001610760348 1165431232 /nfs/dbraw/zinc/43/12/32/1165431232.db2.gz LCNPAIUROWLYOI-UHFFFAOYSA-N -1 1 286.335 1.610 20 0 CDADMM CO[C@@H]1CCN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001624490932 1165843566 /nfs/dbraw/zinc/84/35/66/1165843566.db2.gz ZTCIRJSWLTVFHM-MWLCHTKSSA-N -1 1 250.298 1.284 20 0 CDADMM Cc1ccc(CNc2cccc(-c3nnn[n-]3)n2)o1 ZINC000095324639 1166622085 /nfs/dbraw/zinc/62/20/85/1166622085.db2.gz JXYIIKWHNNFPJL-UHFFFAOYSA-N -1 1 256.269 1.775 20 0 CDADMM Cc1ccc(CNc2cccc(-c3nn[n-]n3)n2)o1 ZINC000095324639 1166622092 /nfs/dbraw/zinc/62/20/92/1166622092.db2.gz JXYIIKWHNNFPJL-UHFFFAOYSA-N -1 1 256.269 1.775 20 0 CDADMM O=C(NCc1noc2ccccc12)c1cncc([O-])c1 ZINC001637770603 1166785317 /nfs/dbraw/zinc/78/53/17/1166785317.db2.gz ARXGMKMNRFAKRA-UHFFFAOYSA-N -1 1 269.260 1.858 20 0 CDADMM Cc1ccc2nc(C(=O)Nc3ccncc3[O-])cn2c1 ZINC001638304643 1166837145 /nfs/dbraw/zinc/83/71/45/1166837145.db2.gz SYPNFCXDPGZXLG-UHFFFAOYSA-N -1 1 268.276 1.418 20 0 CDADMM O=C(Nc1cc([O-])c(F)cc1F)c1cc(=O)cc[nH]1 ZINC001638527918 1166853734 /nfs/dbraw/zinc/85/37/34/1166853734.db2.gz CWQANPSHZGKYEA-UHFFFAOYSA-N -1 1 266.203 1.611 20 0 CDADMM O=C(Cc1cc2ccccc2[nH]c1=O)Nc1c[n-][nH]c1=O ZINC001638735631 1166867467 /nfs/dbraw/zinc/86/74/67/1166867467.db2.gz QLNBSIWAWMZDLO-UHFFFAOYSA-N -1 1 284.275 1.550 20 0 CDADMM Cn1cccc1CNC(=O)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155269501 1167111057 /nfs/dbraw/zinc/11/10/57/1167111057.db2.gz IOHRKXDLIWNAFN-UHFFFAOYSA-N -1 1 270.292 1.537 20 0 CDADMM CO[C@@H](CN(C)[C@@H](COC1CCC1)C(=O)[O-])C1CC1 ZINC001606668090 1167905029 /nfs/dbraw/zinc/90/50/29/1167905029.db2.gz HMEXSJGEIWYWAF-STQMWFEESA-N -1 1 271.357 1.366 20 0 CDADMM CN(C)c1ccnc(CNC(=O)N(C)CCCC(=O)[O-])c1 ZINC001646721703 1168060268 /nfs/dbraw/zinc/06/02/68/1168060268.db2.gz LRUJCENXEUROGX-UHFFFAOYSA-N -1 1 294.355 1.154 20 0 CDADMM Cc1ccc2occ(CC(=O)NCc3nn[n-]n3)c2c1 ZINC001565583894 1168156181 /nfs/dbraw/zinc/15/61/81/1168156181.db2.gz BZBGDDUGIYHJCU-UHFFFAOYSA-N -1 1 271.280 1.113 20 0 CDADMM CN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1nn[n-]n1 ZINC001647403885 1168651308 /nfs/dbraw/zinc/65/13/08/1168651308.db2.gz ZPSIWBIQXVYWPC-RNFRBKRXSA-N -1 1 277.250 1.531 20 0 CDADMM CO[C@@H](CNCc1ncc(-c2ccccc2)s1)C(=O)[O-] ZINC001647412300 1168661819 /nfs/dbraw/zinc/66/18/19/1168661819.db2.gz BVWVLULFMYUJAV-NSHDSACASA-N -1 1 292.360 1.999 20 0 CDADMM CCOc1ccc(C[C@H](C)C(=O)N(C)c2nn[n-]n2)cc1 ZINC001650000737 1169588614 /nfs/dbraw/zinc/58/86/14/1169588614.db2.gz ZSIYJIQMXALBAQ-JTQLQIEISA-N -1 1 289.339 1.440 20 0 CDADMM Cc1ccc2nnc(CNC(=O)c3ncccc3[O-])n2c1 ZINC001570468931 1170166990 /nfs/dbraw/zinc/16/69/90/1170166990.db2.gz IXKRLHNWJVJRAL-UHFFFAOYSA-N -1 1 283.291 1.068 20 0 CDADMM C[N@H+](CC(=O)NCc1cccs1)C[C@@H]1C[C@H]1C(=O)[O-] ZINC001573864407 1170810213 /nfs/dbraw/zinc/81/02/13/1170810213.db2.gz BYBHZGNVECLXMH-GXSJLCMTSA-N -1 1 282.365 1.017 20 0 CDADMM COC(=O)c1ccc(CN2CC([C@H](C)C(=O)[O-])C2)nc1 ZINC001573940715 1170834959 /nfs/dbraw/zinc/83/49/59/1170834959.db2.gz MPWVKVLBXSOJIX-VIFPVBQESA-N -1 1 278.308 1.021 20 0 CDADMM C[C@H](N[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)NCCF ZINC001574107708 1170882334 /nfs/dbraw/zinc/88/23/34/1170882334.db2.gz HTHUUWNLIGWPID-AAEUAGOBSA-N -1 1 296.342 1.136 20 0 CDADMM O=C([O-])c1ccc(CNC(=O)c2[nH]ncc2F)cc1 ZINC001574413057 1170974646 /nfs/dbraw/zinc/97/46/46/1170974646.db2.gz TULRCIYJNICQKL-UHFFFAOYSA-N -1 1 263.228 1.177 20 0 CDADMM CC(C)c1ncc(C(=O)Nc2c[n-][nH]c2=O)s1 ZINC001651044381 1171280947 /nfs/dbraw/zinc/28/09/47/1171280947.db2.gz GUPAVWTVOHKILN-UHFFFAOYSA-N -1 1 252.299 1.948 20 0 CDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)o1)c1cnccn1 ZINC001580310861 1172399510 /nfs/dbraw/zinc/39/95/10/1172399510.db2.gz SNELEMKFSXLXKO-SSDOTTSWSA-N -1 1 286.251 1.168 20 0 CDADMM O=C([N-]OCC1CCC1)[C@@H]1NCCOc2ccccc21 ZINC001580742845 1172525718 /nfs/dbraw/zinc/52/57/18/1172525718.db2.gz HGHAPAXXLPNRDU-CQSZACIVSA-N -1 1 276.336 1.558 20 0 CDADMM Cn1ccsc1=NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001581800304 1172622343 /nfs/dbraw/zinc/62/23/43/1172622343.db2.gz PJJBNQMDAQCTLR-UHFFFAOYSA-N -1 1 292.349 1.069 20 0 CDADMM Cn1ccsc1=NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001581800304 1172622349 /nfs/dbraw/zinc/62/23/49/1172622349.db2.gz PJJBNQMDAQCTLR-UHFFFAOYSA-N -1 1 292.349 1.069 20 0 CDADMM Fc1cccc(COc2ccc(F)nc2-c2nn[n-]n2)n1 ZINC001581855037 1172624565 /nfs/dbraw/zinc/62/45/65/1172624565.db2.gz JCYCQFTTZWEQBH-UHFFFAOYSA-N -1 1 290.233 1.514 20 0 CDADMM Fc1ccccc1CCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001581856156 1172624775 /nfs/dbraw/zinc/62/47/75/1172624775.db2.gz VBVGEOFCZNTFCQ-UHFFFAOYSA-N -1 1 299.313 1.262 20 0 CDADMM O=C(Nc1ccns1)c1cccc(F)c1-c1nnn[n-]1 ZINC001582650489 1172687345 /nfs/dbraw/zinc/68/73/45/1172687345.db2.gz YINYPAFXBDTOOW-UHFFFAOYSA-N -1 1 290.283 1.715 20 0 CDADMM Oc1ccc(Sc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001582815845 1172695894 /nfs/dbraw/zinc/69/58/94/1172695894.db2.gz AUJAMWJTJRYZDV-UHFFFAOYSA-N -1 1 272.293 1.514 20 0 CDADMM Oc1ccc(Sc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001582815845 1172695900 /nfs/dbraw/zinc/69/59/00/1172695900.db2.gz AUJAMWJTJRYZDV-UHFFFAOYSA-N -1 1 272.293 1.514 20 0 CDADMM c1nc(Cn2cc(-c3nn[n-]n3)nn2)oc1-c1ccccc1 ZINC001582817536 1172697221 /nfs/dbraw/zinc/69/72/21/1172697221.db2.gz LZKJFKPWGSFEMS-UHFFFAOYSA-N -1 1 294.278 1.162 20 0 CDADMM Cc1c2cccc(C)c2oc1C(=O)N(C)c1nn[n-]n1 ZINC001587340028 1172982647 /nfs/dbraw/zinc/98/26/47/1172982647.db2.gz YANFPAMYUCTRDX-UHFFFAOYSA-N -1 1 271.280 1.839 20 0 CDADMM C=C/C=C/CCNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001588531088 1173076977 /nfs/dbraw/zinc/07/69/77/1173076977.db2.gz YKOLEYHJNBRXOJ-ONEGZZNKSA-N -1 1 284.323 1.053 20 0 CDADMM C=C/C=C/CCNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001588531088 1173076984 /nfs/dbraw/zinc/07/69/84/1173076984.db2.gz YKOLEYHJNBRXOJ-ONEGZZNKSA-N -1 1 284.323 1.053 20 0 CDADMM C=C/C=C/CCn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001588530888 1173077058 /nfs/dbraw/zinc/07/70/58/1173077058.db2.gz WBWBRVBFEULHST-ONEGZZNKSA-N -1 1 283.335 1.649 20 0 CDADMM CC(=O)CCCCCn1ccc(C)c(-c2nn[n-]n2)c1=O ZINC001588792169 1173108923 /nfs/dbraw/zinc/10/89/23/1173108923.db2.gz WYXYKFOBNGBYND-UHFFFAOYSA-N -1 1 289.339 1.486 20 0 CDADMM CC(C)(C)O[C@H]1C[C@@H](Nc2ncncc2-c2nn[n-]n2)C1 ZINC001589198026 1173128566 /nfs/dbraw/zinc/12/85/66/1173128566.db2.gz LZGUNBJUSYCRCE-DTORHVGOSA-N -1 1 289.343 1.415 20 0 CDADMM CC(C)[C@@H](O)CCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589477028 1173148878 /nfs/dbraw/zinc/14/88/78/1173148878.db2.gz YKGARQGYGAULDY-VIFPVBQESA-N -1 1 295.368 1.065 20 0 CDADMM CC(C)[C@H]1N(c2cncc(-c3nnn[n-]3)n2)CC12CCC2 ZINC001589520084 1173153721 /nfs/dbraw/zinc/15/37/21/1173153721.db2.gz OJNLACLMJRVNSX-GFCCVEGCSA-N -1 1 285.355 1.672 20 0 CDADMM CC(C)[C@H]1N(c2cncc(-c3nn[n-]n3)n2)CC12CCC2 ZINC001589520084 1173153726 /nfs/dbraw/zinc/15/37/26/1173153726.db2.gz OJNLACLMJRVNSX-GFCCVEGCSA-N -1 1 285.355 1.672 20 0 CDADMM CC(C)C1CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001589509487 1173154584 /nfs/dbraw/zinc/15/45/84/1173154584.db2.gz CGYDANVPTPNDOW-UHFFFAOYSA-N -1 1 287.327 1.381 20 0 CDADMM CC(C)C1CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001589509487 1173154589 /nfs/dbraw/zinc/15/45/89/1173154589.db2.gz CGYDANVPTPNDOW-UHFFFAOYSA-N -1 1 287.327 1.381 20 0 CDADMM C[C@H](C1CC1)N(C(=O)c1coc(-c2nnn[n-]2)c1)C1CC1 ZINC001589787494 1173182383 /nfs/dbraw/zinc/18/23/83/1173182383.db2.gz SBXXBXBQTORMMZ-MRVPVSSYSA-N -1 1 287.323 1.863 20 0 CDADMM C[C@H](C1CC1)N(C(=O)c1coc(-c2nn[n-]n2)c1)C1CC1 ZINC001589787494 1173182386 /nfs/dbraw/zinc/18/23/86/1173182386.db2.gz SBXXBXBQTORMMZ-MRVPVSSYSA-N -1 1 287.323 1.863 20 0 CDADMM C[C@@H](Cc1ccccc1F)Nc1ncncc1-c1nn[n-]n1 ZINC001589900156 1173198339 /nfs/dbraw/zinc/19/83/39/1173198339.db2.gz VOUKHMBKCNQKPN-VIFPVBQESA-N -1 1 299.313 1.839 20 0 CDADMM C[C@H](Cn1cc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001589903638 1173200514 /nfs/dbraw/zinc/20/05/14/1173200514.db2.gz CDXVTZPQUMOJGW-SECBINFHSA-N -1 1 255.285 1.262 20 0 CDADMM C[C@H](N(C)c1cc(-c2nnn[n-]2)ncn1)C(C)(C)C ZINC001589912148 1173203327 /nfs/dbraw/zinc/20/33/27/1173203327.db2.gz IHRJPNZEDLLNIG-QMMMGPOBSA-N -1 1 261.333 1.528 20 0 CDADMM C[C@H](N(C)c1cc(-c2nn[n-]n2)ncn1)C(C)(C)C ZINC001589912148 1173203331 /nfs/dbraw/zinc/20/33/31/1173203331.db2.gz IHRJPNZEDLLNIG-QMMMGPOBSA-N -1 1 261.333 1.528 20 0 CDADMM CC1(C)C[C@]1(C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001590087737 1173251568 /nfs/dbraw/zinc/25/15/68/1173251568.db2.gz XKWVSGZRDGIFST-GFCCVEGCSA-N -1 1 259.317 1.505 20 0 CDADMM CC1(C)C[C@]1(C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001590087737 1173251572 /nfs/dbraw/zinc/25/15/72/1173251572.db2.gz XKWVSGZRDGIFST-GFCCVEGCSA-N -1 1 259.317 1.505 20 0 CDADMM CC1(C)CC[C@H]1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590093476 1173254801 /nfs/dbraw/zinc/25/48/01/1173254801.db2.gz RMYUPXGEQNRTSU-QMMMGPOBSA-N -1 1 272.312 1.636 20 0 CDADMM CC1(C)CC[C@H]1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590093476 1173254807 /nfs/dbraw/zinc/25/48/07/1173254807.db2.gz RMYUPXGEQNRTSU-QMMMGPOBSA-N -1 1 272.312 1.636 20 0 CDADMM C[C@]1(NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)CC=CCC1 ZINC001590145032 1173273052 /nfs/dbraw/zinc/27/30/52/1173273052.db2.gz NEPCRIXICZNETA-AWEZNQCLSA-N -1 1 299.338 1.882 20 0 CDADMM C[C@]1(NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)CC=CCC1 ZINC001590145032 1173273055 /nfs/dbraw/zinc/27/30/55/1173273055.db2.gz NEPCRIXICZNETA-AWEZNQCLSA-N -1 1 299.338 1.882 20 0 CDADMM CC12CC(C1)CN2C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590152302 1173276238 /nfs/dbraw/zinc/27/62/38/1173276238.db2.gz FYPGSXBFTIIYLW-UHFFFAOYSA-N -1 1 285.311 1.278 20 0 CDADMM CC12CC(C1)CN2C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590152302 1173276244 /nfs/dbraw/zinc/27/62/44/1173276244.db2.gz FYPGSXBFTIIYLW-UHFFFAOYSA-N -1 1 285.311 1.278 20 0 CDADMM C[C@@H]1C[C@@H]1C(=O)COC(=O)c1sccc1-c1nn[n-]n1 ZINC001590215831 1173296297 /nfs/dbraw/zinc/29/62/97/1173296297.db2.gz XSPWORNUUJZNDN-SVRRBLITSA-N -1 1 292.320 1.310 20 0 CDADMM C[C@@H]1CC[C@H](C)N(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590227827 1173303822 /nfs/dbraw/zinc/30/38/22/1173303822.db2.gz RYVBJAAXUBHWOF-BDAKNGLRSA-N -1 1 275.312 1.720 20 0 CDADMM C[C@@H]1CC[C@H](C)N(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590227827 1173303829 /nfs/dbraw/zinc/30/38/29/1173303829.db2.gz RYVBJAAXUBHWOF-BDAKNGLRSA-N -1 1 275.312 1.720 20 0 CDADMM C[C@H]1[C@@H](C)N(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001590315708 1173352851 /nfs/dbraw/zinc/35/28/51/1173352851.db2.gz HXDFYMPBVONBHZ-IWSPIJDZSA-N -1 1 259.317 1.137 20 0 CDADMM CCC(C)(C)C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001590373136 1173379092 /nfs/dbraw/zinc/37/90/92/1173379092.db2.gz AYQKUCCCIIGEIO-UHFFFAOYSA-N -1 1 264.285 1.939 20 0 CDADMM CCC(C)(C)C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001590373136 1173379096 /nfs/dbraw/zinc/37/90/96/1173379096.db2.gz AYQKUCCCIIGEIO-UHFFFAOYSA-N -1 1 264.285 1.939 20 0 CDADMM CC[C@@](C)(COC(=O)c1cccc(-c2nnn[n-]2)n1)OC ZINC001590381319 1173383755 /nfs/dbraw/zinc/38/37/55/1173383755.db2.gz DNSSNGKJOPTOES-ZDUSSCGKSA-N -1 1 291.311 1.234 20 0 CDADMM CC[C@@](C)(COC(=O)c1cccc(-c2nn[n-]n2)n1)OC ZINC001590381319 1173383759 /nfs/dbraw/zinc/38/37/59/1173383759.db2.gz DNSSNGKJOPTOES-ZDUSSCGKSA-N -1 1 291.311 1.234 20 0 CDADMM CC[C@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)c1ccncc1 ZINC001590471724 1173421750 /nfs/dbraw/zinc/42/17/50/1173421750.db2.gz MKBYHHMXRYVLSW-NSHDSACASA-N -1 1 296.338 1.923 20 0 CDADMM CC[C@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)c1ccncc1 ZINC001590471724 1173421754 /nfs/dbraw/zinc/42/17/54/1173421754.db2.gz MKBYHHMXRYVLSW-NSHDSACASA-N -1 1 296.338 1.923 20 0 CDADMM CCc1[n-]n(-c2ccc(-c3nn[nH]n3)cn2)c(=O)c1C(C)C ZINC001590498636 1173437880 /nfs/dbraw/zinc/43/78/80/1173437880.db2.gz AZIGGBPUHWXYGH-LBPRGKRZSA-N -1 1 299.338 1.647 20 0 CDADMM CC[C@@H]1C[C@@H](Nc2cc(C)cc(-c3nnn[n-]3)n2)CCO1 ZINC001590504823 1173440691 /nfs/dbraw/zinc/44/06/91/1173440691.db2.gz MJLKNDKRBBGQQI-WDEREUQCSA-N -1 1 288.355 1.940 20 0 CDADMM CC[C@@H]1C[C@@H](Nc2cc(C)cc(-c3nn[n-]n3)n2)CCO1 ZINC001590504823 1173440696 /nfs/dbraw/zinc/44/06/96/1173440696.db2.gz MJLKNDKRBBGQQI-WDEREUQCSA-N -1 1 288.355 1.940 20 0 CDADMM CC[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(C)n2)[C@@H]1C ZINC001590515097 1173447023 /nfs/dbraw/zinc/44/70/23/1173447023.db2.gz WCZACEQWPRBTTI-PSASIEDQSA-N -1 1 273.344 1.590 20 0 CDADMM CC[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(C)n2)[C@@H]1C ZINC001590515097 1173447025 /nfs/dbraw/zinc/44/70/25/1173447025.db2.gz WCZACEQWPRBTTI-PSASIEDQSA-N -1 1 273.344 1.590 20 0 CDADMM CC/C=C/CNC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590530277 1173451435 /nfs/dbraw/zinc/45/14/35/1173451435.db2.gz BKPWACNLDPNMJJ-ONEGZZNKSA-N -1 1 292.368 1.694 20 0 CDADMM CCO[C@@H](C)c1nccn1Cc1ccnc(-c2nnn[n-]2)c1 ZINC001590782801 1173511601 /nfs/dbraw/zinc/51/16/01/1173511601.db2.gz KSLQKMHQDKOYQT-JTQLQIEISA-N -1 1 299.338 1.604 20 0 CDADMM CCO[C@@H](C)c1nccn1Cc1ccnc(-c2nn[n-]n2)c1 ZINC001590782801 1173511614 /nfs/dbraw/zinc/51/16/14/1173511614.db2.gz KSLQKMHQDKOYQT-JTQLQIEISA-N -1 1 299.338 1.604 20 0 CDADMM CCc1cnccc1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001590902204 1173539418 /nfs/dbraw/zinc/53/94/18/1173539418.db2.gz YBWWCYVNMSKLCY-UHFFFAOYSA-N -1 1 282.311 1.226 20 0 CDADMM CCc1cnccc1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001590902204 1173539421 /nfs/dbraw/zinc/53/94/21/1173539421.db2.gz YBWWCYVNMSKLCY-UHFFFAOYSA-N -1 1 282.311 1.226 20 0 CDADMM CCc1nc(NC[C@H]2C[C@H](OC)C2)cc(-c2nnn[n-]2)n1 ZINC001590923028 1173543229 /nfs/dbraw/zinc/54/32/29/1173543229.db2.gz JPJJHUFLKCAMIA-KYZUINATSA-N -1 1 289.343 1.056 20 0 CDADMM CCc1nc(NC[C@H]2C[C@H](OC)C2)cc(-c2nn[n-]n2)n1 ZINC001590923028 1173543235 /nfs/dbraw/zinc/54/32/35/1173543235.db2.gz JPJJHUFLKCAMIA-KYZUINATSA-N -1 1 289.343 1.056 20 0 CDADMM CN(C(=O)[C@@H]1CC=CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590977877 1173556657 /nfs/dbraw/zinc/55/66/57/1173556657.db2.gz YIAJARTUICJQID-SNVBAGLBSA-N -1 1 284.323 1.581 20 0 CDADMM CN(C(=O)[C@@H]1CC=CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590977877 1173556667 /nfs/dbraw/zinc/55/66/67/1173556667.db2.gz YIAJARTUICJQID-SNVBAGLBSA-N -1 1 284.323 1.581 20 0 CDADMM CN(C)c1cncc(Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001591034147 1173561928 /nfs/dbraw/zinc/56/19/28/1173561928.db2.gz BQMPYDCUJWZNTN-UHFFFAOYSA-N -1 1 282.311 1.466 20 0 CDADMM CN(C)c1cncc(Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001591034147 1173561931 /nfs/dbraw/zinc/56/19/31/1173561931.db2.gz BQMPYDCUJWZNTN-UHFFFAOYSA-N -1 1 282.311 1.466 20 0 CDADMM CN(Cc1ccns1)Cc1nc(-c2nnn[n-]2)cs1 ZINC001591150307 1173578458 /nfs/dbraw/zinc/57/84/58/1173578458.db2.gz UUSWRQBOBFZSQQ-UHFFFAOYSA-N -1 1 293.381 1.412 20 0 CDADMM CN(Cc1ccns1)Cc1nc(-c2nn[n-]n2)cs1 ZINC001591150307 1173578461 /nfs/dbraw/zinc/57/84/61/1173578461.db2.gz UUSWRQBOBFZSQQ-UHFFFAOYSA-N -1 1 293.381 1.412 20 0 CDADMM CO[C@@](C)(CNc1cc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001591316695 1173602413 /nfs/dbraw/zinc/60/24/13/1173602413.db2.gz ANGOWEZNXZEEBI-AWEZNQCLSA-N -1 1 288.355 1.797 20 0 CDADMM CO[C@@](C)(CNc1cc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001591316695 1173602417 /nfs/dbraw/zinc/60/24/17/1173602417.db2.gz ANGOWEZNXZEEBI-AWEZNQCLSA-N -1 1 288.355 1.797 20 0 CDADMM COC(C)(C)C[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001591317461 1173604388 /nfs/dbraw/zinc/60/43/88/1173604388.db2.gz YTFJGXKHXMXLQA-VIFPVBQESA-N -1 1 291.359 1.581 20 0 CDADMM COC(C)(C)C[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001591317461 1173604394 /nfs/dbraw/zinc/60/43/94/1173604394.db2.gz YTFJGXKHXMXLQA-VIFPVBQESA-N -1 1 291.359 1.581 20 0 CDADMM CO[C@]1(C)CCCN(c2ncncc2-c2nn[n-]n2)CC1 ZINC001591339217 1173617490 /nfs/dbraw/zinc/61/74/90/1173617490.db2.gz RLOSYSKURWEAKD-CYBMUJFWSA-N -1 1 289.343 1.052 20 0 CDADMM COc1cc(Cl)ccc1Cn1cc(-c2nn[n-]n2)nn1 ZINC001591540329 1173666857 /nfs/dbraw/zinc/66/68/57/1173666857.db2.gz UCPKYPRCKDDVBU-UHFFFAOYSA-N -1 1 291.702 1.169 20 0 CDADMM C[C@@]12CN(c3ccnc(-c4nnn[n-]4)c3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC001591760376 1173696191 /nfs/dbraw/zinc/69/61/91/1173696191.db2.gz RMDHBPQOXMDDCR-IZBNFRDHSA-N -1 1 294.362 1.910 20 0 CDADMM C[C@@]12CN(c3ccnc(-c4nn[n-]n4)c3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC001591760376 1173696196 /nfs/dbraw/zinc/69/61/96/1173696196.db2.gz RMDHBPQOXMDDCR-IZBNFRDHSA-N -1 1 294.362 1.910 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](CO)C[C@H](C)C2)c1 ZINC001591883712 1173736502 /nfs/dbraw/zinc/73/65/02/1173736502.db2.gz BYAUQIVGXKMLOG-WDEREUQCSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](CO)C[C@H](C)C2)c1 ZINC001591883712 1173736506 /nfs/dbraw/zinc/73/65/06/1173736506.db2.gz BYAUQIVGXKMLOG-WDEREUQCSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCCCC2)c1 ZINC001591889097 1173738822 /nfs/dbraw/zinc/73/88/22/1173738822.db2.gz PGCHETXNEXJFJI-UHFFFAOYSA-N -1 1 258.329 1.951 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCCCC2)c1 ZINC001591889097 1173738825 /nfs/dbraw/zinc/73/88/25/1173738825.db2.gz PGCHETXNEXJFJI-UHFFFAOYSA-N -1 1 258.329 1.951 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)C[C@@H]2CCOC2)n1 ZINC001591891195 1173739851 /nfs/dbraw/zinc/73/98/51/1173739851.db2.gz XDVPSOTVUQNRHK-SCZZXKLOSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)C[C@@H]2CCOC2)n1 ZINC001591891195 1173739860 /nfs/dbraw/zinc/73/98/60/1173739860.db2.gz XDVPSOTVUQNRHK-SCZZXKLOSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(Nc2cc(C3CC3)n(C)n2)n1 ZINC001591903064 1173745396 /nfs/dbraw/zinc/74/53/96/1173745396.db2.gz HBNQIRYHCAFSFE-UHFFFAOYSA-N -1 1 297.326 1.320 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(Nc2cc(C3CC3)n(C)n2)n1 ZINC001591903064 1173745399 /nfs/dbraw/zinc/74/53/99/1173745399.db2.gz HBNQIRYHCAFSFE-UHFFFAOYSA-N -1 1 297.326 1.320 20 0 CDADMM Cc1cc(N[C@@H]2COC[C@H]2C2CC2)nc(-c2nnn[n-]2)c1 ZINC001592038258 1173782315 /nfs/dbraw/zinc/78/23/15/1173782315.db2.gz AVBXQRQOLNANFX-CMPLNLGQSA-N -1 1 286.339 1.407 20 0 CDADMM Cc1cc(N[C@@H]2COC[C@H]2C2CC2)nc(-c2nn[n-]n2)c1 ZINC001592038258 1173782320 /nfs/dbraw/zinc/78/23/20/1173782320.db2.gz AVBXQRQOLNANFX-CMPLNLGQSA-N -1 1 286.339 1.407 20 0 CDADMM Cc1cc(NCc2ccn(C(C)C)n2)nc(-c2nnn[n-]2)c1 ZINC001592053261 1173789449 /nfs/dbraw/zinc/78/94/49/1173789449.db2.gz ULXXNTKXDISZOM-UHFFFAOYSA-N -1 1 298.354 1.960 20 0 CDADMM Cc1cc(NCc2ccn(C(C)C)n2)nc(-c2nn[n-]n2)c1 ZINC001592053261 1173789454 /nfs/dbraw/zinc/78/94/54/1173789454.db2.gz ULXXNTKXDISZOM-UHFFFAOYSA-N -1 1 298.354 1.960 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N(C)CCOCC1CC1 ZINC001592109813 1173802476 /nfs/dbraw/zinc/80/24/76/1173802476.db2.gz CYJGWNDFZICUBG-UHFFFAOYSA-N -1 1 288.355 1.433 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCC(C)(C)CO ZINC001592115087 1173806538 /nfs/dbraw/zinc/80/65/38/1173806538.db2.gz XROUSVVPWHYRTG-UHFFFAOYSA-N -1 1 262.317 1.001 20 0 CDADMM Cc1ccc(N(C)C(=O)c2cccc(-c3nnn[n-]3)n2)nc1 ZINC001592175015 1173822864 /nfs/dbraw/zinc/82/28/64/1173822864.db2.gz GOCRISWDYKPXPX-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM Cc1ccc(N(C)C(=O)c2cccc(-c3nn[n-]n3)n2)nc1 ZINC001592175015 1173822866 /nfs/dbraw/zinc/82/28/66/1173822866.db2.gz GOCRISWDYKPXPX-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM Cc1ccc(NC[C@@H](O)c2ccccc2)nc1-c1nnn[n-]1 ZINC001592182875 1173825323 /nfs/dbraw/zinc/82/53/23/1173825323.db2.gz CLORBSFJUIXBFD-GFCCVEGCSA-N -1 1 296.334 1.716 20 0 CDADMM Cc1ccc(NC[C@@H](O)c2ccccc2)nc1-c1nn[n-]n1 ZINC001592182875 1173825328 /nfs/dbraw/zinc/82/53/28/1173825328.db2.gz CLORBSFJUIXBFD-GFCCVEGCSA-N -1 1 296.334 1.716 20 0 CDADMM Cc1ccc(N2CC[C@@H]3OCC[C@@H]3C2)c(-c2nnn[n-]2)n1 ZINC001592177228 1173826303 /nfs/dbraw/zinc/82/63/03/1173826303.db2.gz MPBDNYHAPNSUKR-PWSUYJOCSA-N -1 1 286.339 1.185 20 0 CDADMM Cc1ccc(N2CC[C@@H]3OCC[C@@H]3C2)c(-c2nn[n-]n2)n1 ZINC001592177228 1173826308 /nfs/dbraw/zinc/82/63/08/1173826308.db2.gz MPBDNYHAPNSUKR-PWSUYJOCSA-N -1 1 286.339 1.185 20 0 CDADMM Cc1ccc(NC[C@@H](C)C[C@H](C)O)nc1-c1nnn[n-]1 ZINC001592183301 1173828754 /nfs/dbraw/zinc/82/87/54/1173828754.db2.gz PFVOFHVFAAVAHF-WPRPVWTQSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1ccc(NC[C@@H](C)C[C@H](C)O)nc1-c1nn[n-]n1 ZINC001592183301 1173828761 /nfs/dbraw/zinc/82/87/61/1173828761.db2.gz PFVOFHVFAAVAHF-WPRPVWTQSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1ccc(NCCCC2(O)CCC2)c(-c2nnn[n-]2)n1 ZINC001592185874 1173830379 /nfs/dbraw/zinc/83/03/79/1173830379.db2.gz OSUSAXBVAZGJOM-UHFFFAOYSA-N -1 1 288.355 1.677 20 0 CDADMM Cc1ccc(NCCCC2(O)CCC2)c(-c2nn[n-]n2)n1 ZINC001592185874 1173830384 /nfs/dbraw/zinc/83/03/84/1173830384.db2.gz OSUSAXBVAZGJOM-UHFFFAOYSA-N -1 1 288.355 1.677 20 0 CDADMM Cc1ccc2c(c1)N(C(=O)c1coc(-c3nnn[n-]3)c1)CC2 ZINC001592205105 1173833472 /nfs/dbraw/zinc/83/34/72/1173833472.db2.gz JITJTHNOJFWXOE-UHFFFAOYSA-N -1 1 295.302 1.971 20 0 CDADMM Cc1ccc2c(c1)N(C(=O)c1coc(-c3nn[n-]n3)c1)CC2 ZINC001592205105 1173833479 /nfs/dbraw/zinc/83/34/79/1173833479.db2.gz JITJTHNOJFWXOE-UHFFFAOYSA-N -1 1 295.302 1.971 20 0 CDADMM Cc1ccccc1CC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592253969 1173834962 /nfs/dbraw/zinc/83/49/62/1173834962.db2.gz OSSOFMDZRKFFDD-UHFFFAOYSA-N -1 1 283.295 1.079 20 0 CDADMM Cc1ccn(CCOC2CCCC2)c(=O)c1-c1nn[n-]n1 ZINC001592266552 1173839207 /nfs/dbraw/zinc/83/92/07/1173839207.db2.gz VTJGSYFSJZSVPJ-UHFFFAOYSA-N -1 1 289.339 1.296 20 0 CDADMM Cc1cnc(Oc2ccc(F)nc2-c2nn[n-]n2)nc1 ZINC001592294723 1173849224 /nfs/dbraw/zinc/84/92/24/1173849224.db2.gz HFZOHKMTTDFVNM-UHFFFAOYSA-N -1 1 273.231 1.292 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N(C)C[C@@H]2CC=CCC2)n1 ZINC001592338842 1173859465 /nfs/dbraw/zinc/85/94/65/1173859465.db2.gz QSHOTKXLVFOZET-LLVKDONJSA-N -1 1 285.355 1.758 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N(C)C[C@@H]2CC=CCC2)n1 ZINC001592338842 1173859470 /nfs/dbraw/zinc/85/94/70/1173859470.db2.gz QSHOTKXLVFOZET-LLVKDONJSA-N -1 1 285.355 1.758 20 0 CDADMM Cc1ncccc1C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001592416331 1173884887 /nfs/dbraw/zinc/88/48/87/1173884887.db2.gz OMKJAEVEXBHTOW-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM Cc1ncccc1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001592416331 1173884893 /nfs/dbraw/zinc/88/48/93/1173884893.db2.gz OMKJAEVEXBHTOW-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM Cc1nsc(N(C)Cc2nccs2)c1-c1nn[n-]n1 ZINC001592469507 1173899436 /nfs/dbraw/zinc/89/94/36/1173899436.db2.gz WEOKGMVNIFGQEA-UHFFFAOYSA-N -1 1 293.381 1.725 20 0 CDADMM Cn1ncc(Nc2cc(-c3nnn[n-]3)ncn2)c1C(F)F ZINC001592602810 1173927671 /nfs/dbraw/zinc/92/76/71/1173927671.db2.gz WDRCBRHTNWTMQW-UHFFFAOYSA-N -1 1 293.241 1.071 20 0 CDADMM Cn1ncc(Nc2cc(-c3nn[n-]n3)ncn2)c1C(F)F ZINC001592602810 1173927675 /nfs/dbraw/zinc/92/76/75/1173927675.db2.gz WDRCBRHTNWTMQW-UHFFFAOYSA-N -1 1 293.241 1.071 20 0 CDADMM Cn1nccc1[C@H]1CCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001592606368 1173927934 /nfs/dbraw/zinc/92/79/34/1173927934.db2.gz JJCKICQRBCMMEW-CYBMUJFWSA-N -1 1 296.338 1.337 20 0 CDADMM Cn1nccc1[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001592606368 1173927941 /nfs/dbraw/zinc/92/79/41/1173927941.db2.gz JJCKICQRBCMMEW-CYBMUJFWSA-N -1 1 296.338 1.337 20 0 CDADMM FC(F)OCCSCc1nc(-c2nnn[n-]2)cs1 ZINC001592626799 1173931701 /nfs/dbraw/zinc/93/17/01/1173931701.db2.gz VHDDBDRXJPEJTF-UHFFFAOYSA-N -1 1 293.324 1.796 20 0 CDADMM FC(F)OCCSCc1nc(-c2nn[n-]n2)cs1 ZINC001592626799 1173931705 /nfs/dbraw/zinc/93/17/05/1173931705.db2.gz VHDDBDRXJPEJTF-UHFFFAOYSA-N -1 1 293.324 1.796 20 0 CDADMM Fc1ccc(F)c(CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001592651661 1173952173 /nfs/dbraw/zinc/95/21/73/1173952173.db2.gz UELMYWZYWNDHQI-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM Fc1ccc(F)c(CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001592651661 1173952178 /nfs/dbraw/zinc/95/21/78/1173952178.db2.gz UELMYWZYWNDHQI-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM Fc1ccc(OCCC2CCC2)c(-c2nnn[n-]2)n1 ZINC001592651927 1173953324 /nfs/dbraw/zinc/95/33/24/1173953324.db2.gz GKDGWYMCDALWIK-UHFFFAOYSA-N -1 1 263.276 1.970 20 0 CDADMM Fc1ccc(OCCC2CCC2)c(-c2nn[n-]n2)n1 ZINC001592651927 1173953330 /nfs/dbraw/zinc/95/33/30/1173953330.db2.gz GKDGWYMCDALWIK-UHFFFAOYSA-N -1 1 263.276 1.970 20 0 CDADMM O=C(NC[C@@H]1CCCOC1)c1ccsc1-c1nnn[n-]1 ZINC001593039181 1174017384 /nfs/dbraw/zinc/01/73/84/1174017384.db2.gz REUSYZXVCXUBFM-QMMMGPOBSA-N -1 1 293.352 1.085 20 0 CDADMM O=C(NC[C@@H]1CCCOC1)c1ccsc1-c1nn[n-]n1 ZINC001593039181 1174017392 /nfs/dbraw/zinc/01/73/92/1174017392.db2.gz REUSYZXVCXUBFM-QMMMGPOBSA-N -1 1 293.352 1.085 20 0 CDADMM O=C(NCc1ccccc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593144561 1174026440 /nfs/dbraw/zinc/02/64/40/1174026440.db2.gz XHMSVOSHHVNZLK-UHFFFAOYSA-N -1 1 295.306 1.583 20 0 CDADMM O=C(NCc1ccccc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593144561 1174026445 /nfs/dbraw/zinc/02/64/45/1174026445.db2.gz XHMSVOSHHVNZLK-UHFFFAOYSA-N -1 1 295.306 1.583 20 0 CDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CC12CCC2 ZINC001593147460 1174027384 /nfs/dbraw/zinc/02/73/84/1174027384.db2.gz UKLFDPULBCPRQW-SNVBAGLBSA-N -1 1 284.323 1.068 20 0 CDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CC12CCC2 ZINC001593147460 1174027385 /nfs/dbraw/zinc/02/73/85/1174027385.db2.gz UKLFDPULBCPRQW-SNVBAGLBSA-N -1 1 284.323 1.068 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1CCCC2(CC2)C1 ZINC001593197902 1174031070 /nfs/dbraw/zinc/03/10/70/1174031070.db2.gz RHTLCPLVWURWQQ-MRVPVSSYSA-N -1 1 287.327 1.499 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1CCCC2(CC2)C1 ZINC001593197902 1174031074 /nfs/dbraw/zinc/03/10/74/1174031074.db2.gz RHTLCPLVWURWQQ-MRVPVSSYSA-N -1 1 287.327 1.499 20 0 CDADMM O=C(Nc1cc(F)ccn1)c1coc(-c2nnn[n-]2)c1 ZINC001593209215 1174035126 /nfs/dbraw/zinc/03/51/26/1174035126.db2.gz DHIBAMKEYFYARR-UHFFFAOYSA-N -1 1 274.215 1.246 20 0 CDADMM O=C(Nc1cc(F)ccn1)c1coc(-c2nn[n-]n2)c1 ZINC001593209215 1174035130 /nfs/dbraw/zinc/03/51/30/1174035130.db2.gz DHIBAMKEYFYARR-UHFFFAOYSA-N -1 1 274.215 1.246 20 0 CDADMM O=C(Nc1cnsn1)c1csc(-c2nn[n-]n2)c1 ZINC001593262739 1174041847 /nfs/dbraw/zinc/04/18/47/1174041847.db2.gz RNQDOLDFZKSRMR-UHFFFAOYSA-N -1 1 279.310 1.032 20 0 CDADMM O=C(OC1([C@H]2CCOC2)CC1)c1ccc(-c2nn[n-]n2)o1 ZINC001593281947 1174048716 /nfs/dbraw/zinc/04/87/16/1174048716.db2.gz OIJVUBICHPGSGM-QMMMGPOBSA-N -1 1 290.279 1.186 20 0 CDADMM O=c1c(-c2nn[n-]n2)cc2c(n1C[C@@H]1C[C@H]3C[C@H]3C1)CCC2 ZINC001593490405 1174087522 /nfs/dbraw/zinc/08/75/22/1174087522.db2.gz GSEGUIFOYBEAMH-YHPBZONMSA-N -1 1 297.362 1.563 20 0 CDADMM c1cc(-c2nc(C3CCCC3)no2)cc(-c2nnn[n-]2)n1 ZINC001593545106 1174115274 /nfs/dbraw/zinc/11/52/74/1174115274.db2.gz WBJTYTZYZAAWBN-UHFFFAOYSA-N -1 1 283.295 1.969 20 0 CDADMM c1cc(-c2nc(C3CCCC3)no2)cc(-c2nn[n-]n2)n1 ZINC001593545106 1174115279 /nfs/dbraw/zinc/11/52/79/1174115279.db2.gz WBJTYTZYZAAWBN-UHFFFAOYSA-N -1 1 283.295 1.969 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CC[C@@]3(C2)CCCOC3)c1 ZINC001593549675 1174121173 /nfs/dbraw/zinc/12/11/73/1174121173.db2.gz AJRJLTWRUQIWSM-CQSZACIVSA-N -1 1 286.339 1.269 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CC[C@@]3(C2)CCCOC3)c1 ZINC001593549675 1174121179 /nfs/dbraw/zinc/12/11/79/1174121179.db2.gz AJRJLTWRUQIWSM-CQSZACIVSA-N -1 1 286.339 1.269 20 0 CDADMM c1cc(N2CC[C@H]([C@@H]3CCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001593557649 1174130811 /nfs/dbraw/zinc/13/08/11/1174130811.db2.gz QBXUVBFRFLDADK-WDEREUQCSA-N -1 1 286.339 1.125 20 0 CDADMM c1cc(N2CC[C@H]([C@@H]3CCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001593557649 1174130815 /nfs/dbraw/zinc/13/08/15/1174130815.db2.gz QBXUVBFRFLDADK-WDEREUQCSA-N -1 1 286.339 1.125 20 0 CDADMM c1cc(NC[C@@H]2C[C@@H]3CCC[C@H]3O2)cc(-c2nnn[n-]2)n1 ZINC001593557984 1174133973 /nfs/dbraw/zinc/13/39/73/1174133973.db2.gz FIXIPKLRCLZHJG-XHVZSJERSA-N -1 1 286.339 1.053 20 0 CDADMM c1cc(NC[C@@H]2C[C@@H]3CCC[C@H]3O2)cc(-c2nn[n-]n2)n1 ZINC001593557984 1174133977 /nfs/dbraw/zinc/13/39/77/1174133977.db2.gz FIXIPKLRCLZHJG-XHVZSJERSA-N -1 1 286.339 1.053 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OC[C@H]2CC[C@@H](C3CC3)O2)c1 ZINC001593583599 1174149331 /nfs/dbraw/zinc/14/93/31/1174149331.db2.gz AKABQQUPQGFJDV-MNOVXSKESA-N -1 1 287.323 1.598 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OC[C@H]2CC[C@@H](C3CC3)O2)c1 ZINC001593583599 1174149336 /nfs/dbraw/zinc/14/93/36/1174149336.db2.gz AKABQQUPQGFJDV-MNOVXSKESA-N -1 1 287.323 1.598 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCC[C@@H]2C[C@H]2C2CC2)n1 ZINC001593583594 1174149918 /nfs/dbraw/zinc/14/99/18/1174149918.db2.gz ACVDXSNNXLTXNI-ZJUUUORDSA-N -1 1 271.328 1.505 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCC[C@@H]2C[C@H]2C2CC2)n1 ZINC001593583594 1174149922 /nfs/dbraw/zinc/14/99/22/1174149922.db2.gz ACVDXSNNXLTXNI-ZJUUUORDSA-N -1 1 271.328 1.505 20 0 CDADMM c1sc(CSC2CCOCC2)nc1-c1nnn[n-]1 ZINC001593595336 1174163830 /nfs/dbraw/zinc/16/38/30/1174163830.db2.gz MKTAKWAHVDMDSL-UHFFFAOYSA-N -1 1 283.382 1.735 20 0 CDADMM c1sc(CSC2CCOCC2)nc1-c1nn[n-]n1 ZINC001593595336 1174163837 /nfs/dbraw/zinc/16/38/37/1174163837.db2.gz MKTAKWAHVDMDSL-UHFFFAOYSA-N -1 1 283.382 1.735 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(N[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC001593595525 1174166004 /nfs/dbraw/zinc/16/60/04/1174166004.db2.gz SKTXLRXUJFRMQT-IWSPIJDZSA-N -1 1 257.301 1.257 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NCCC2CCCC2)n1 ZINC001593595488 1174166051 /nfs/dbraw/zinc/16/60/51/1174166051.db2.gz RNKNAJFITHRULF-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM O=c1[n-]c(CN2C[C@H]3CCCC[C@]32c2ccccc2)n[nH]1 ZINC000091594740 1174301545 /nfs/dbraw/zinc/30/15/45/1174301545.db2.gz IKHZVTCTNAVGQN-CJNGLKHVSA-N -1 1 284.363 1.999 20 0 CDADMM Cc1c(C(=O)[O-])cc(CN[C@H]2CCN(C(C)C)C2=O)n1C ZINC001599994264 1174335714 /nfs/dbraw/zinc/33/57/14/1174335714.db2.gz KMEZFYPSHCGUSM-ZDUSSCGKSA-N -1 1 293.367 1.131 20 0 CDADMM Cc1cc(C(=O)[O-])cc(C(=O)N2CCN3CCC2CC3)c1 ZINC001600108134 1174363298 /nfs/dbraw/zinc/36/32/98/1174363298.db2.gz MHEFDXLNZWKWSP-UHFFFAOYSA-N -1 1 288.347 1.613 20 0 CDADMM Cc1cc([C@H](C)N2CCC[C@](O)(CO)C2)oc1C(=O)[O-] ZINC001600152292 1174382006 /nfs/dbraw/zinc/38/20/06/1174382006.db2.gz VJFBOLYYXJMCIS-IINYFYTJSA-N -1 1 283.324 1.166 20 0 CDADMM Cc1cc(CN2C[C@@H](O)C[C@@H]2C(=O)[O-])cc2cccnc12 ZINC001600192769 1174399296 /nfs/dbraw/zinc/39/92/96/1174399296.db2.gz STPSOIMLURTONT-UONOGXRCSA-N -1 1 286.331 1.563 20 0 CDADMM Cc1cc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)oc1C(=O)[O-] ZINC001600192514 1174399452 /nfs/dbraw/zinc/39/94/52/1174399452.db2.gz RNPFWGHEEWPLGV-ZMLRMANQSA-N -1 1 292.335 1.372 20 0 CDADMM Cc1cc(NC(=O)NCc2c[nH]nn2)cc(C(=O)[O-])c1 ZINC001600271242 1174432555 /nfs/dbraw/zinc/43/25/55/1174432555.db2.gz ALQSUQDHEWJIQT-UHFFFAOYSA-N -1 1 275.268 1.133 20 0 CDADMM Cc1ccsc1[C@@H](CO)NCc1ccc(C(=O)[O-])cn1 ZINC001600609206 1174527105 /nfs/dbraw/zinc/52/71/05/1174527105.db2.gz PHDXBYSZVWZOBY-GFCCVEGCSA-N -1 1 292.360 1.973 20 0 CDADMM Cc1nc([C@@H]2CCN(Cc3cc(C(=O)[O-])c(C)[nH]3)C2)no1 ZINC001600696842 1174568280 /nfs/dbraw/zinc/56/82/80/1174568280.db2.gz KLPYUXGUBYRHGM-SNVBAGLBSA-N -1 1 290.323 1.702 20 0 CDADMM Cc1nnc(CN[C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])o1 ZINC001600794677 1174614426 /nfs/dbraw/zinc/61/44/26/1174614426.db2.gz AGQWVPYRWOJRSB-GXFFZTMASA-N -1 1 289.335 1.800 20 0 CDADMM Cc1nnsc1CNCc1cc(C(=O)[O-])n(C)c1 ZINC001600802727 1174618270 /nfs/dbraw/zinc/61/82/70/1174618270.db2.gz LEZZXAFPOPDRMB-UHFFFAOYSA-N -1 1 266.326 1.173 20 0 CDADMM Cc1oc(CN(C)Cc2nnc[nH]2)cc1C(=O)[O-] ZINC001600843567 1174637835 /nfs/dbraw/zinc/63/78/35/1174637835.db2.gz PUZKQTSEOXTRDN-UHFFFAOYSA-N -1 1 250.258 1.036 20 0 CDADMM Cn1c(CN2CCC3(CC2)OCCCO3)ccc1C(=O)[O-] ZINC001600914155 1174661575 /nfs/dbraw/zinc/66/15/75/1174661575.db2.gz ZITUBGBHRLFZKO-UHFFFAOYSA-N -1 1 294.351 1.452 20 0 CDADMM OC[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000103668765 1174684880 /nfs/dbraw/zinc/68/48/80/1174684880.db2.gz XLKVCKYZNVLJIW-CYBMUJFWSA-N -1 1 282.307 1.407 20 0 CDADMM OC[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000103668765 1174684881 /nfs/dbraw/zinc/68/48/81/1174684881.db2.gz XLKVCKYZNVLJIW-CYBMUJFWSA-N -1 1 282.307 1.407 20 0 CDADMM Nc1c(F)cccc1CN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001601209736 1174790027 /nfs/dbraw/zinc/79/00/27/1174790027.db2.gz OOYWLBPSBVBUGA-CYBMUJFWSA-N -1 1 282.315 1.065 20 0 CDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001601565719 1174901828 /nfs/dbraw/zinc/90/18/28/1174901828.db2.gz MJRLWVZNCSSEMF-PWSUYJOCSA-N -1 1 291.351 1.492 20 0 CDADMM O=C([O-])c1ccc(NC(=O)c2ccc3cncn3c2)nn1 ZINC001601600099 1174911886 /nfs/dbraw/zinc/91/18/86/1174911886.db2.gz BQJQCPPJSOKFFN-UHFFFAOYSA-N -1 1 283.247 1.075 20 0 CDADMM O=C([O-])[C@H](CC(F)F)NCc1nc(Br)c[nH]1 ZINC001601639565 1174921735 /nfs/dbraw/zinc/92/17/35/1174921735.db2.gz VYCLUGSBGPWRIT-BYPYZUCNSA-N -1 1 298.087 1.370 20 0 CDADMM O=C([O-])[C@@H](O)C1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC001601684307 1174944001 /nfs/dbraw/zinc/94/40/01/1174944001.db2.gz JBCRPINHAGSBFY-HNNXBMFYSA-N -1 1 288.347 1.825 20 0 CDADMM O=C([O-])C1(CN2CCO[C@H](c3cccc(O)c3)C2)CC1 ZINC001601709413 1174962991 /nfs/dbraw/zinc/96/29/91/1174962991.db2.gz VNWHBULTCHTRFU-ZDUSSCGKSA-N -1 1 277.320 1.630 20 0 CDADMM O=C([O-])/C=C/c1ccc(CN2CC[C@H](n3cncn3)C2)o1 ZINC001601879406 1175049821 /nfs/dbraw/zinc/04/98/21/1175049821.db2.gz IEHLEBOZHSITRX-UFFNRZRYSA-N -1 1 288.307 1.416 20 0 CDADMM O=C([O-])Cc1c[nH]n([C@H]2CCOC3(CCCC3)C2)c1=O ZINC001601941449 1175077468 /nfs/dbraw/zinc/07/74/68/1175077468.db2.gz SEHZCHIAVDSCEM-QWRGUYRKSA-N -1 1 280.324 1.397 20 0 CDADMM O=C([O-])C[C@@H]1CCCN1CC(=O)Nc1ccc(O)cc1 ZINC001601955243 1175085229 /nfs/dbraw/zinc/08/52/29/1175085229.db2.gz SMMNRQDNGXVASN-NSHDSACASA-N -1 1 278.308 1.270 20 0 CDADMM O=C([O-])C[C@H]1CN(Cc2cccc3ncccc23)CCO1 ZINC001601961918 1175088762 /nfs/dbraw/zinc/08/87/62/1175088762.db2.gz QOHNEXUWWZGZJX-ZDUSSCGKSA-N -1 1 286.331 1.910 20 0 CDADMM O=C([O-])CN1CCN(C(=O)c2cccc(C3CC3)c2)CC1 ZINC001602062603 1175123930 /nfs/dbraw/zinc/12/39/30/1175123930.db2.gz STKIXRLBMQNTOA-UHFFFAOYSA-N -1 1 288.347 1.406 20 0 CDADMM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC001602105209 1175131466 /nfs/dbraw/zinc/13/14/66/1175131466.db2.gz FCWCWBNYIQKNII-HBNTYKKESA-N -1 1 291.351 1.274 20 0 CDADMM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)Cc1ccn[nH]1 ZINC001602174142 1175152337 /nfs/dbraw/zinc/15/23/37/1175152337.db2.gz FNJZJHKBZIUBMO-KBPBESRZSA-N -1 1 299.330 1.769 20 0 CDADMM O=C([O-])c1cc(CNCc2cnc3n2CCCC3)c[nH]1 ZINC001602260953 1175188352 /nfs/dbraw/zinc/18/83/52/1175188352.db2.gz FPMWXQIJIDLMQO-UHFFFAOYSA-N -1 1 274.324 1.536 20 0 CDADMM O=C([O-])c1ccc(COCCc2c[nH]nn2)c2ncccc12 ZINC001602353378 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C[C@H](O)C(C)(C)CNc1cccnc1-c1nnn[n-]1 ZINC001589993306 1173223459 /nfs/dbraw/zinc/22/34/59/1173223459.db2.gz SADTYFLJITWNCD-QMMMGPOBSA-N -1 1 262.317 1.081 20 0 CDADMM C[C@H](O)C(C)(C)CNc1cccnc1-c1nn[n-]n1 ZINC001589993306 1173223466 /nfs/dbraw/zinc/22/34/66/1173223466.db2.gz SADTYFLJITWNCD-QMMMGPOBSA-N -1 1 262.317 1.081 20 0 CDADMM CCOc1ccc(CN2CCSC[C@@H]2CC(=O)[O-])nc1 ZINC000652483986 424484481 /nfs/dbraw/zinc/48/44/81/424484481.db2.gz TXAOMFXKJPURBJ-LBPRGKRZSA-N -1 1 296.392 1.872 20 0 CDADMM CCc1cc(=O)[n-]c(SCC(=O)c2ccnn2C)n1 ZINC000655500574 424610790 /nfs/dbraw/zinc/61/07/90/424610790.db2.gz XQLBDJCWYUESBK-UHFFFAOYSA-N -1 1 278.337 1.453 20 0 CDADMM O=C([O-])c1ccc(F)c2c1CN(CCCO)CC2 ZINC000530168003 271125582 /nfs/dbraw/zinc/12/55/82/271125582.db2.gz HTSIQGJCANFGKO-UHFFFAOYSA-N -1 1 253.273 1.264 20 0 CDADMM COc1cccc(CCCN2C[C@@H](C)O[C@H](C(=O)[O-])C2)c1 ZINC000530169545 271127138 /nfs/dbraw/zinc/12/71/38/271127138.db2.gz KJEUMVRBPXTFMM-DOMZBBRYSA-N -1 1 293.363 1.802 20 0 CDADMM C[C@@H]1[C@H](C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)[C@H]1C1CC1 ZINC000530262388 271188082 /nfs/dbraw/zinc/18/80/82/271188082.db2.gz PIZUTVJKSJFARH-VZLIPTOUSA-N -1 1 297.362 1.697 20 0 CDADMM C[C@@H]1CCCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001590263291 1173326327 /nfs/dbraw/zinc/32/63/27/1173326327.db2.gz AUCLUBKVBJLPLR-RXMQYKEDSA-N -1 1 270.749 1.965 20 0 CDADMM C[C@@H]1CCCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590263291 1173326333 /nfs/dbraw/zinc/32/63/33/1173326333.db2.gz AUCLUBKVBJLPLR-RXMQYKEDSA-N -1 1 270.749 1.965 20 0 CDADMM CC[C@H](C)CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001590405845 1173391916 /nfs/dbraw/zinc/39/19/16/1173391916.db2.gz CJVJKECNRIHIJL-VIFPVBQESA-N -1 1 275.312 1.741 20 0 CDADMM CC[C@H](C)CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001590405845 1173391921 /nfs/dbraw/zinc/39/19/21/1173391921.db2.gz CJVJKECNRIHIJL-VIFPVBQESA-N -1 1 275.312 1.741 20 0 CDADMM CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000175466136 277840775 /nfs/dbraw/zinc/84/07/75/277840775.db2.gz 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CCC/C=C/COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590570835 1173466917 /nfs/dbraw/zinc/46/69/17/1173466917.db2.gz QHMNCDYVGHXUGN-SNAWJCMRSA-N -1 1 273.296 1.775 20 0 CDADMM CCC/C=C/COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590570835 1173466921 /nfs/dbraw/zinc/46/69/21/1173466921.db2.gz QHMNCDYVGHXUGN-SNAWJCMRSA-N -1 1 273.296 1.775 20 0 CDADMM Cc1cnc(S[C@H](C)C(=O)NC[C@H]2CCCO2)[n-]c1=O ZINC000572617785 294661089 /nfs/dbraw/zinc/66/10/89/294661089.db2.gz HXCIZCNOXMWCAE-NXEZZACHSA-N -1 1 297.380 1.266 20 0 CDADMM CCN(C[C@H](C)OC)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590680962 1173488677 /nfs/dbraw/zinc/48/86/77/1173488677.db2.gz NSEIZVBVSBMUOO-QMMMGPOBSA-N -1 1 295.368 1.425 20 0 CDADMM CCO[C@H]1C[C@H](OC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC001590822287 1173521846 /nfs/dbraw/zinc/52/18/46/1173521846.db2.gz FMOFFEPYYQVSLL-ZKCHVHJHSA-N -1 1 294.336 1.653 20 0 CDADMM Cc1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])n[nH]1 ZINC000070378693 301126309 /nfs/dbraw/zinc/12/63/09/301126309.db2.gz YDLGTDKIMLIHIO-ZDUSSCGKSA-N -1 1 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CN(Cc1cnn(C)c1)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000576878900 317224125 /nfs/dbraw/zinc/22/41/25/317224125.db2.gz AATYDXIQPNGMHZ-CYBMUJFWSA-N -1 1 277.299 1.817 20 0 CDADMM CNC(=O)CCSCCC(=O)c1ccc([O-])cc1O ZINC000578026494 317456269 /nfs/dbraw/zinc/45/62/69/317456269.db2.gz VORLNZSTBUUQJV-UHFFFAOYSA-N -1 1 283.349 1.540 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N(C)C[C@@H]2CC2(C)C)n1 ZINC001592338618 1173860014 /nfs/dbraw/zinc/86/00/14/1173860014.db2.gz KBWRSHKDMATLCF-VIFPVBQESA-N -1 1 273.344 1.447 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N(C)C[C@@H]2CC2(C)C)n1 ZINC001592338618 1173860023 /nfs/dbraw/zinc/86/00/23/1173860023.db2.gz KBWRSHKDMATLCF-VIFPVBQESA-N -1 1 273.344 1.447 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccc([O-])cc2F)[C@H](C(N)=O)C1 ZINC000186984142 323417785 /nfs/dbraw/zinc/41/77/85/323417785.db2.gz KPHCXSWQKHQJJU-UFBFGSQYSA-N -1 1 280.299 1.257 20 0 CDADMM CO[C@@H]([C@H](C)NC(=O)c1cncc([O-])c1)C1CC1 ZINC000388318483 323788219 /nfs/dbraw/zinc/78/82/19/323788219.db2.gz WENAROKXJVAFFS-UFBFGSQYSA-N -1 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CC[C@@H](SC)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825159381 607635122 /nfs/dbraw/zinc/63/51/22/607635122.db2.gz OFHPLJZOCOBBSH-SNVBAGLBSA-N -1 1 293.352 1.652 20 0 CDADMM CC[C@]1(C)CC(=O)N(CN2CCC[C@@H]2CC(=O)[O-])C1=O ZINC000833646575 604508102 /nfs/dbraw/zinc/50/81/02/604508102.db2.gz QYSHAELHDORKPZ-QMTHXVAHSA-N -1 1 282.340 1.058 20 0 CDADMM CC(C)[C@@H](C(=O)Nc1cncc(C(=O)[O-])c1)N(C)C ZINC000833466032 604600410 /nfs/dbraw/zinc/60/04/10/604600410.db2.gz PYBZLWKKPPBRLY-NSHDSACASA-N -1 1 265.313 1.305 20 0 CDADMM Cc1cc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)nn1C ZINC000688134158 604672406 /nfs/dbraw/zinc/67/24/06/604672406.db2.gz NCJMUYUWCSZHFW-GFCCVEGCSA-N -1 1 263.341 1.415 20 0 CDADMM Cc1cc(C[C@H](C)NC(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)n[nH]1 ZINC000832884252 604690402 /nfs/dbraw/zinc/69/04/02/604690402.db2.gz WTMFEIUSPISPRG-VDDIYKPWSA-N -1 1 294.355 1.011 20 0 CDADMM CCCOC(=O)[C@H](C)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000829519258 604746376 /nfs/dbraw/zinc/74/63/76/604746376.db2.gz AJUOAXGBNNIDRU-ZJUUUORDSA-N -1 1 257.330 1.513 20 0 CDADMM C[C@@H]1[C@@H](C)N(C(=O)CC(C)(C)CC(=O)[O-])CCN1C ZINC000833584370 604837773 /nfs/dbraw/zinc/83/77/73/604837773.db2.gz PXYYJQKYOINZMS-GHMZBOCLSA-N -1 1 270.373 1.428 20 0 CDADMM C[C@H]1C[C@H](O)CN1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000833596566 604936783 /nfs/dbraw/zinc/93/67/83/604936783.db2.gz FJDUGZTVNSMTDP-ONGXEEELSA-N -1 1 299.754 1.872 20 0 CDADMM CCCn1c(C)nnc1CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000833652458 605045504 /nfs/dbraw/zinc/04/55/04/605045504.db2.gz JARJJXDDTBCOOI-GFCCVEGCSA-N -1 1 292.383 1.683 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)O1 ZINC000833607313 605059100 /nfs/dbraw/zinc/05/91/00/605059100.db2.gz ZKIKMGLPTDWHCR-GMSGAONNSA-N -1 1 289.291 1.767 20 0 CDADMM CCc1nc([C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[O-])n[nH]1 ZINC000833674030 605072307 /nfs/dbraw/zinc/07/23/07/605072307.db2.gz NWTXLNNGIUWSOM-BDAKNGLRSA-N -1 1 297.359 1.227 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CC12CCCC2 ZINC000833626233 605113296 /nfs/dbraw/zinc/11/32/96/605113296.db2.gz YYUVXQADBJQARQ-OLZOCXBDSA-N -1 1 294.395 1.574 20 0 CDADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCOC3(CCOCC3)C2)O1 ZINC000833581559 605357178 /nfs/dbraw/zinc/35/71/78/605357178.db2.gz WURCOVPPYBLZTQ-LBPRGKRZSA-N -1 1 297.351 1.015 20 0 CDADMM CC(C)N(CCO)Cc1cc(C(=O)[O-])ccc1F ZINC000231028114 605828943 /nfs/dbraw/zinc/82/89/43/605828943.db2.gz YJOUIOQABHKWKO-UHFFFAOYSA-N -1 1 255.289 1.727 20 0 CDADMM O=C(OCc1cnccn1)c1ccc(-c2nnn[n-]2)s1 ZINC000823440260 606179355 /nfs/dbraw/zinc/17/93/55/606179355.db2.gz KDGZFIPBMNJUFD-UHFFFAOYSA-N -1 1 288.292 1.075 20 0 CDADMM O=C(OCc1cnccn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823440260 606179356 /nfs/dbraw/zinc/17/93/56/606179356.db2.gz KDGZFIPBMNJUFD-UHFFFAOYSA-N -1 1 288.292 1.075 20 0 CDADMM C[C@@]1(CNc2nccnc2-c2nnn[n-]2)CCCC[C@H]1O ZINC000820623084 606243149 /nfs/dbraw/zinc/24/31/49/606243149.db2.gz DPIXKOXERWFZKR-RNCFNFMXSA-N -1 1 289.343 1.010 20 0 CDADMM C[C@@]1(CNc2nccnc2-c2nn[n-]n2)CCCC[C@H]1O ZINC000820623084 606243151 /nfs/dbraw/zinc/24/31/51/606243151.db2.gz DPIXKOXERWFZKR-RNCFNFMXSA-N -1 1 289.343 1.010 20 0 CDADMM CN(c1ccc(Cl)c(-c2nnn[n-]2)n1)C1CC1 ZINC000821619098 606452208 /nfs/dbraw/zinc/45/22/08/606452208.db2.gz JKYSXZQLAYHRME-UHFFFAOYSA-N -1 1 250.693 1.514 20 0 CDADMM CN(c1ccc(Cl)c(-c2nn[n-]n2)n1)C1CC1 ZINC000821619098 606452209 /nfs/dbraw/zinc/45/22/09/606452209.db2.gz JKYSXZQLAYHRME-UHFFFAOYSA-N -1 1 250.693 1.514 20 0 CDADMM COC(=O)[C@H](C)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821639022 606462809 /nfs/dbraw/zinc/46/28/09/606462809.db2.gz NEFAYOCOZWAELZ-ZCFIWIBFSA-N -1 1 296.718 1.136 20 0 CDADMM COC(=O)[C@H](C)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821639022 606462811 /nfs/dbraw/zinc/46/28/11/606462811.db2.gz NEFAYOCOZWAELZ-ZCFIWIBFSA-N -1 1 296.718 1.136 20 0 CDADMM Cc1csc(NC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000822414777 606487563 /nfs/dbraw/zinc/48/75/63/606487563.db2.gz UFEZCWOLZIIOCV-UHFFFAOYSA-N -1 1 292.349 1.945 20 0 CDADMM Cc1csc(NC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000822414777 606487565 /nfs/dbraw/zinc/48/75/65/606487565.db2.gz UFEZCWOLZIIOCV-UHFFFAOYSA-N -1 1 292.349 1.945 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000823436044 606518210 /nfs/dbraw/zinc/51/82/10/606518210.db2.gz FPTKNOYDZCKOQA-UHFFFAOYSA-N -1 1 299.265 1.758 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000823436044 606518212 /nfs/dbraw/zinc/51/82/12/606518212.db2.gz FPTKNOYDZCKOQA-UHFFFAOYSA-N -1 1 299.265 1.758 20 0 CDADMM O=C(NCCOC1CCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823206778 606576675 /nfs/dbraw/zinc/57/66/75/606576675.db2.gz VNKDNGBKCMJFIO-UHFFFAOYSA-N -1 1 293.352 1.227 20 0 CDADMM O=C(NCCOC1CCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823206778 606576677 /nfs/dbraw/zinc/57/66/77/606576677.db2.gz VNKDNGBKCMJFIO-UHFFFAOYSA-N -1 1 293.352 1.227 20 0 CDADMM C[C@@H](CC(=O)OCc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC000820225869 606648599 /nfs/dbraw/zinc/64/85/99/606648599.db2.gz QWVWCCRPLRPMMO-VIFPVBQESA-N -1 1 287.323 1.741 20 0 CDADMM C[C@@H](CC(=O)OCc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC000820225869 606648600 /nfs/dbraw/zinc/64/86/00/606648600.db2.gz QWVWCCRPLRPMMO-VIFPVBQESA-N -1 1 287.323 1.741 20 0 CDADMM CCCC[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821039119 606924577 /nfs/dbraw/zinc/92/45/77/606924577.db2.gz AKENXMKEGWZOMF-SECBINFHSA-N -1 1 275.312 1.997 20 0 CDADMM CCCC[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821039119 606924579 /nfs/dbraw/zinc/92/45/79/606924579.db2.gz AKENXMKEGWZOMF-SECBINFHSA-N -1 1 275.312 1.997 20 0 CDADMM C[C@H](O)c1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000824707748 607897049 /nfs/dbraw/zinc/89/70/49/607897049.db2.gz VHKYHDNUNKXTBG-JTQLQIEISA-N -1 1 296.334 1.927 20 0 CDADMM C[C@H](O)c1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000824707748 607897050 /nfs/dbraw/zinc/89/70/50/607897050.db2.gz VHKYHDNUNKXTBG-JTQLQIEISA-N -1 1 296.334 1.927 20 0 CDADMM COc1ccc2c(c1)CCN2c1cccc(-c2nnn[n-]2)n1 ZINC000826213255 607898357 /nfs/dbraw/zinc/89/83/57/607898357.db2.gz QJHGFHHJUSFEJW-UHFFFAOYSA-N -1 1 294.318 1.965 20 0 CDADMM COc1ccc2c(c1)CCN2c1cccc(-c2nn[n-]n2)n1 ZINC000826213255 607898358 /nfs/dbraw/zinc/89/83/58/607898358.db2.gz QJHGFHHJUSFEJW-UHFFFAOYSA-N -1 1 294.318 1.965 20 0 CDADMM CN(Cc1cccc(F)c1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825981177 607987874 /nfs/dbraw/zinc/98/78/74/607987874.db2.gz QBAWRHOVKRJXJC-UHFFFAOYSA-N -1 1 285.286 1.432 20 0 CDADMM CN(Cc1cccc(F)c1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825981177 607987875 /nfs/dbraw/zinc/98/78/75/607987875.db2.gz QBAWRHOVKRJXJC-UHFFFAOYSA-N -1 1 285.286 1.432 20 0 CDADMM c1cn(Cc2noc(-c3ccccc3)n2)c(-c2nnn[n-]2)n1 ZINC000826518873 608014629 /nfs/dbraw/zinc/01/46/29/608014629.db2.gz ARZKLTIOJDNSHK-UHFFFAOYSA-N -1 1 294.278 1.162 20 0 CDADMM c1cn(Cc2noc(-c3ccccc3)n2)c(-c2nn[n-]n2)n1 ZINC000826518873 608014630 /nfs/dbraw/zinc/01/46/30/608014630.db2.gz ARZKLTIOJDNSHK-UHFFFAOYSA-N -1 1 294.278 1.162 20 0 CDADMM C[C@H]1CC[C@H](COC(=O)c2ccc(-c3nnn[n-]3)s2)O1 ZINC000824909835 608076245 /nfs/dbraw/zinc/07/62/45/608076245.db2.gz VHIGVOGNQHQGLT-JGVFFNPUSA-N -1 1 294.336 1.653 20 0 CDADMM C[C@H]1CC[C@H](COC(=O)c2ccc(-c3nn[n-]n3)s2)O1 ZINC000824909835 608076246 /nfs/dbraw/zinc/07/62/46/608076246.db2.gz VHIGVOGNQHQGLT-JGVFFNPUSA-N -1 1 294.336 1.653 20 0 CDADMM CN(Cc1ncc[nH]1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825999124 608183605 /nfs/dbraw/zinc/18/36/05/608183605.db2.gz MUTIOCZCPXNYLL-UHFFFAOYSA-N -1 1 296.747 1.336 20 0 CDADMM CN(Cc1ncc[nH]1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825999124 608183607 /nfs/dbraw/zinc/18/36/07/608183607.db2.gz MUTIOCZCPXNYLL-UHFFFAOYSA-N -1 1 296.747 1.336 20 0 CDADMM C[C@H](c1ccccc1F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824773152 608401228 /nfs/dbraw/zinc/40/12/28/608401228.db2.gz YSYUHUREAYVDAX-SECBINFHSA-N -1 1 299.313 1.993 20 0 CDADMM C[C@H](c1ccccc1F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824773152 608401230 /nfs/dbraw/zinc/40/12/30/608401230.db2.gz YSYUHUREAYVDAX-SECBINFHSA-N -1 1 299.313 1.993 20 0 CDADMM COc1cc(CNc2ccc(-c3nnn[n-]3)nn2)ccc1C ZINC000826179585 608403188 /nfs/dbraw/zinc/40/31/88/608403188.db2.gz VPZDSODCRKBGEL-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1cc(CNc2ccc(-c3nn[n-]n3)nn2)ccc1C ZINC000826179585 608403190 /nfs/dbraw/zinc/40/31/90/608403190.db2.gz VPZDSODCRKBGEL-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCCCOCC1CC1 ZINC000826280428 608542436 /nfs/dbraw/zinc/54/24/36/608542436.db2.gz BHMHWNMRHSMDLR-UHFFFAOYSA-N -1 1 288.355 1.799 20 0 CDADMM CCCS(=O)(=O)[N-]c1cccc(C)c1-c1nn[nH]n1 ZINC000825342600 609160771 /nfs/dbraw/zinc/16/07/71/609160771.db2.gz VGDMXIUDLFPEHX-UHFFFAOYSA-N -1 1 281.341 1.327 20 0 CDADMM Cc1cnc([C@@H](C)Nc2nccnc2-c2nnn[n-]2)o1 ZINC000826317959 609436103 /nfs/dbraw/zinc/43/61/03/609436103.db2.gz QTLNOWSOEIWTTE-SSDOTTSWSA-N -1 1 272.272 1.126 20 0 CDADMM Cc1cnc([C@@H](C)Nc2nccnc2-c2nn[n-]n2)o1 ZINC000826317959 609436105 /nfs/dbraw/zinc/43/61/05/609436105.db2.gz QTLNOWSOEIWTTE-SSDOTTSWSA-N -1 1 272.272 1.126 20 0 CDADMM C[C@@H]1OCC[C@]1(C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000825013305 609592072 /nfs/dbraw/zinc/59/20/72/609592072.db2.gz OPMUTAZQRFHWKQ-MADCSZMMSA-N -1 1 294.746 1.895 20 0 CDADMM C[C@@H]1OCC[C@]1(C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000825013305 609592074 /nfs/dbraw/zinc/59/20/74/609592074.db2.gz OPMUTAZQRFHWKQ-MADCSZMMSA-N -1 1 294.746 1.895 20 0 CDADMM O=C(c1cc(F)ccc1[O-])N1CC[C@H](O)[C@@H](F)C1 ZINC000890691854 617279463 /nfs/dbraw/zinc/27/94/63/617279463.db2.gz MNRBANKOLAZHTE-ONGXEEELSA-N -1 1 257.236 1.076 20 0 CDADMM O=C(N[C@@H]1COC[C@@H]1C1CC1)C(=O)c1ccc([O-])cc1 ZINC000891048030 617356387 /nfs/dbraw/zinc/35/63/87/617356387.db2.gz UQHMCJDXGGPOJH-CHWSQXEVSA-N -1 1 275.304 1.116 20 0 CDADMM Cc1cnc(C(=O)N[C@]23CC(=O)N[C@H]2CCCC3)c([O-])c1 ZINC000891283771 617399292 /nfs/dbraw/zinc/39/92/92/617399292.db2.gz TWKNBVDPEMVFOE-XHDPSFHLSA-N -1 1 289.335 1.027 20 0 CDADMM COCc1nc(N(C)Cc2cccc(OC)c2)cc(=O)[n-]1 ZINC000891467701 617425537 /nfs/dbraw/zinc/42/55/37/617425537.db2.gz LKBZCLRRAZJGAW-UHFFFAOYSA-N -1 1 289.335 1.974 20 0 CDADMM CCC[C@](C)(O)CNc1cc(=O)[n-]c(COC)n1 ZINC000892501529 617436428 /nfs/dbraw/zinc/43/64/28/617436428.db2.gz BDZJLSACZRIVJZ-LBPRGKRZSA-N -1 1 255.318 1.292 20 0 CDADMM COCc1nc(N[C@@H]2CCC[C@H]2CCO)cc(=O)[n-]1 ZINC000893281870 617515980 /nfs/dbraw/zinc/51/59/80/617515980.db2.gz IMGOQAODSDPOPV-VHSXEESVSA-N -1 1 267.329 1.292 20 0 CDADMM CC[C@H](C)C(=O)N1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000949532280 615637976 /nfs/dbraw/zinc/63/79/76/615637976.db2.gz ZSSISLGTGFQNFY-WDEREUQCSA-N -1 1 291.351 1.164 20 0 CDADMM Cc1ccc(C(F)(F)C(=O)N(C)c2nn[n-]n2)cc1 ZINC000892954561 617977673 /nfs/dbraw/zinc/97/76/73/617977673.db2.gz LTIDIRJDKVVFJL-UHFFFAOYSA-N -1 1 267.239 1.263 20 0 CDADMM O=C(NCc1ncc2c(n1)CCC2)c1ccc([O-])c(F)c1 ZINC000909669732 620736945 /nfs/dbraw/zinc/73/69/45/620736945.db2.gz HQCVANTVLUVOOH-UHFFFAOYSA-N -1 1 287.294 1.740 20 0 CDADMM C[C@@H]([N-]S(=O)(=O)c1ccc(F)nc1F)[C@@H]1CCOC1 ZINC000866873989 617616012 /nfs/dbraw/zinc/61/60/12/617616012.db2.gz CUSOZWPIYFTDGV-HTQZYQBOSA-N -1 1 292.307 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CCc1nc([C@H](C)OC(=O)c2cc(C(=O)[O-])ccn2)n[nH]1 ZINC001605842921 1163685358 /nfs/dbraw/zinc/68/53/58/1163685358.db2.gz XXGMVINJERXRQF-ZETCQYMHSA-N -1 1 290.279 1.378 20 0 CDADMM Cc1ccc(N2CCC3(CC3)C2)c(-c2nnn[n-]2)n1 ZINC001605865301 1163695651 /nfs/dbraw/zinc/69/56/51/1163695651.db2.gz VCRYKFWZCVEYEG-UHFFFAOYSA-N -1 1 256.313 1.560 20 0 CDADMM Cc1ccc(N2CCC3(CC3)C2)c(-c2nn[n-]n2)n1 ZINC001605865301 1163695654 /nfs/dbraw/zinc/69/56/54/1163695654.db2.gz VCRYKFWZCVEYEG-UHFFFAOYSA-N -1 1 256.313 1.560 20 0 CDADMM Cc1cccc2c1CCN2C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001605931449 1163718189 /nfs/dbraw/zinc/71/81/89/1163718189.db2.gz XOYDFIJKGPHVRE-UHFFFAOYSA-N -1 1 295.302 1.971 20 0 CDADMM Cc1cccc2c1CCN2C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001605931449 1163718196 /nfs/dbraw/zinc/71/81/96/1163718196.db2.gz XOYDFIJKGPHVRE-UHFFFAOYSA-N -1 1 295.302 1.971 20 0 CDADMM Cc1ccn(CCc2ccccc2F)c(=O)c1-c1nn[n-]n1 ZINC001605949228 1163724118 /nfs/dbraw/zinc/72/41/18/1163724118.db2.gz NPOKWMAJTDGWLT-UHFFFAOYSA-N -1 1 299.309 1.719 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2C[C@H](C)CC2(C)C)n1 ZINC001606019574 1163745340 /nfs/dbraw/zinc/74/53/40/1163745340.db2.gz IYOLYDIILLWVCW-MRVPVSSYSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2C[C@H](C)CC2(C)C)n1 ZINC001606019574 1163745345 /nfs/dbraw/zinc/74/53/45/1163745345.db2.gz IYOLYDIILLWVCW-MRVPVSSYSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@@H]2CC[C@H](C)O2)c1C ZINC001606020740 1163748884 /nfs/dbraw/zinc/74/88/84/1163748884.db2.gz ANBVNXWKAHTHSJ-XVKPBYJWSA-N -1 1 262.317 1.248 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@@H]2CC[C@H](C)O2)c1C ZINC001606020740 1163748887 /nfs/dbraw/zinc/74/88/87/1163748887.db2.gz ANBVNXWKAHTHSJ-XVKPBYJWSA-N -1 1 262.317 1.248 20 0 CDADMM CN(C)c1cccc(CN2CCSC[C@H]2CC(=O)[O-])n1 ZINC001606059533 1163758743 /nfs/dbraw/zinc/75/87/43/1163758743.db2.gz KVXDEVDKJLBBNW-GFCCVEGCSA-N -1 1 295.408 1.540 20 0 CDADMM C[N@H+](CC(=O)[O-])[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001606087676 1163767736 /nfs/dbraw/zinc/76/77/36/1163767736.db2.gz FBNOAFTVCZTSKJ-JTQLQIEISA-N -1 1 257.673 1.482 20 0 CDADMM C[N@@H+](CC(=O)[O-])[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001606087676 1163767739 /nfs/dbraw/zinc/76/77/39/1163767739.db2.gz FBNOAFTVCZTSKJ-JTQLQIEISA-N -1 1 257.673 1.482 20 0 CDADMM CN(C[C@@H]1CC(C)(C)CO1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001606096839 1163771755 /nfs/dbraw/zinc/77/17/55/1163771755.db2.gz QCHXJOLMNLGOJX-STQMWFEESA-N -1 1 285.384 1.756 20 0 CDADMM CN(C[C@H]1CC(C)(C)CO1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001606096837 1163772557 /nfs/dbraw/zinc/77/25/57/1163772557.db2.gz QCHXJOLMNLGOJX-OLZOCXBDSA-N -1 1 285.384 1.756 20 0 CDADMM Cc1noc(CN(C)Cc2ccc(-c3nn[n-]n3)s2)n1 ZINC001606133590 1163782900 /nfs/dbraw/zinc/78/29/00/1163782900.db2.gz KLVNXLILYHEKBV-UHFFFAOYSA-N -1 1 291.340 1.252 20 0 CDADMM Cc1nsc(C)c1Cn1c(C)c(C)nc1-c1nnn[n-]1 ZINC001606139292 1163784733 /nfs/dbraw/zinc/78/47/33/1163784733.db2.gz JMKGHZSATYURNP-UHFFFAOYSA-N -1 1 289.368 1.802 20 0 CDADMM Cc1nsc(C)c1Cn1c(C)c(C)nc1-c1nn[n-]n1 ZINC001606139292 1163784737 /nfs/dbraw/zinc/78/47/37/1163784737.db2.gz JMKGHZSATYURNP-UHFFFAOYSA-N -1 1 289.368 1.802 20 0 CDADMM Cc1onc(CC(=O)N[C@H]2CC[C@@H](C)C2)c1-c1nnn[n-]1 ZINC001606180017 1163800042 /nfs/dbraw/zinc/80/00/42/1163800042.db2.gz VAGCCXXKIYPTNM-APPZFPTMSA-N -1 1 290.327 1.010 20 0 CDADMM Cc1onc(CC(=O)N[C@H]2CC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001606180017 1163800048 /nfs/dbraw/zinc/80/00/48/1163800048.db2.gz VAGCCXXKIYPTNM-APPZFPTMSA-N -1 1 290.327 1.010 20 0 CDADMM Clc1nsc(N2CCC[C@H]3C[C@H]32)c1-c1nnn[n-]1 ZINC001606200914 1163805163 /nfs/dbraw/zinc/80/51/63/1163805163.db2.gz LKCWVJSQAYSBKZ-NTSWFWBYSA-N -1 1 282.760 1.965 20 0 CDADMM Clc1nsc(N2CCC[C@H]3C[C@H]32)c1-c1nn[n-]n1 ZINC001606200914 1163805171 /nfs/dbraw/zinc/80/51/71/1163805171.db2.gz LKCWVJSQAYSBKZ-NTSWFWBYSA-N -1 1 282.760 1.965 20 0 CDADMM Fc1cccc2c1CCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001606332564 1163865274 /nfs/dbraw/zinc/86/52/74/1163865274.db2.gz MOBYSTOMGWBCST-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM COC(=O)[C@@H](c1ccccc1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001606347108 1163871514 /nfs/dbraw/zinc/87/15/14/1163871514.db2.gz WJADZBLJROBQOF-RAIGVLPGSA-N -1 1 277.320 1.553 20 0 CDADMM CO[C@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)C1CC1 ZINC001606651037 1163946579 /nfs/dbraw/zinc/94/65/79/1163946579.db2.gz OKRYLTWMLQRYDP-NSHDSACASA-N -1 1 289.291 1.625 20 0 CDADMM O=C(N[C@@H]1CCC[C@@H](F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606663450 1163952264 /nfs/dbraw/zinc/95/22/64/1163952264.db2.gz NZMGGPMRNAAMFA-NXEZZACHSA-N -1 1 290.302 1.272 20 0 CDADMM O=C(N[C@@H]1CCC[C@@H](F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606663450 1163952266 /nfs/dbraw/zinc/95/22/66/1163952266.db2.gz NZMGGPMRNAAMFA-NXEZZACHSA-N -1 1 290.302 1.272 20 0 CDADMM CO[C@@]1(C(F)(F)F)CCN(C/C(C)=C\C(=O)[O-])C1 ZINC001606714945 1163970119 /nfs/dbraw/zinc/97/01/19/1163970119.db2.gz QCCULIGVTSAUOH-NVDWLVSRSA-N -1 1 267.247 1.671 20 0 CDADMM O=C(NCC[C@H]1CC=CCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001606761677 1163984544 /nfs/dbraw/zinc/98/45/44/1163984544.db2.gz RMMAYFVQQYFOFB-JTQLQIEISA-N -1 1 287.323 1.936 20 0 CDADMM O=C(NCC[C@H]1CC=CCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001606761677 1163984550 /nfs/dbraw/zinc/98/45/50/1163984550.db2.gz RMMAYFVQQYFOFB-JTQLQIEISA-N -1 1 287.323 1.936 20 0 CDADMM CO[C@H]1CN(C(=O)c2cccc(F)c2O)[C@](C)(C(=O)[O-])C1 ZINC001606765187 1163988285 /nfs/dbraw/zinc/98/82/85/1163988285.db2.gz LYWPUGZXCVNMGB-CLAHSXSESA-N -1 1 297.282 1.236 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C(F)=C1CCC1 ZINC001606933083 1164033191 /nfs/dbraw/zinc/03/31/91/1164033191.db2.gz GAWHIEXCIOELRQ-UHFFFAOYSA-N -1 1 274.259 1.608 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C(F)=C1CCC1 ZINC001606933083 1164033193 /nfs/dbraw/zinc/03/31/93/1164033193.db2.gz GAWHIEXCIOELRQ-UHFFFAOYSA-N -1 1 274.259 1.608 20 0 CDADMM COCc1ccc(CN[C@@H](CC2CCOCC2)C(=O)[O-])o1 ZINC001606956874 1164040097 /nfs/dbraw/zinc/04/00/97/1164040097.db2.gz RFKNXVAZRQTERL-AWEZNQCLSA-N -1 1 297.351 1.786 20 0 CDADMM COCn1ncc(C)c1CN1CCSC[C@H]1CC(=O)[O-] ZINC001606984212 1164048548 /nfs/dbraw/zinc/04/85/48/1164048548.db2.gz GYHPAFYXOGIRLR-LLVKDONJSA-N -1 1 299.396 1.188 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1CC12CCC(CC1)C2 ZINC001607091915 1164077182 /nfs/dbraw/zinc/07/71/82/1164077182.db2.gz NHPPBIRCIOOMOJ-UHFFFAOYSA-N -1 1 271.324 1.609 20 0 CDADMM O[C@H]1CC[C@@H](CNc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001607100792 1164083468 /nfs/dbraw/zinc/08/34/68/1164083468.db2.gz JNBONXSWLSQMMR-SFYZADRCSA-N -1 1 294.746 1.488 20 0 CDADMM O[C@H]1CC[C@@H](CNc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001607100792 1164083476 /nfs/dbraw/zinc/08/34/76/1164083476.db2.gz JNBONXSWLSQMMR-SFYZADRCSA-N -1 1 294.746 1.488 20 0 CDADMM c1cc(NCC[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001607121703 1164104805 /nfs/dbraw/zinc/10/48/05/1164104805.db2.gz VCMSMGZBNUYCMA-SECBINFHSA-N -1 1 260.301 1.100 20 0 CDADMM c1cc(NCC[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001607121703 1164104804 /nfs/dbraw/zinc/10/48/04/1164104804.db2.gz VCMSMGZBNUYCMA-SECBINFHSA-N -1 1 260.301 1.100 20 0 CDADMM c1oc(-c2nnn[n-]2)cc1-c1nc(C2CCOCC2)no1 ZINC001607137518 1164115747 /nfs/dbraw/zinc/11/57/47/1164115747.db2.gz CJNQKLCCJCQPEA-UHFFFAOYSA-N -1 1 288.267 1.404 20 0 CDADMM c1oc(-c2nn[n-]n2)cc1-c1nc(C2CCOCC2)no1 ZINC001607137518 1164115752 /nfs/dbraw/zinc/11/57/52/1164115752.db2.gz CJNQKLCCJCQPEA-UHFFFAOYSA-N -1 1 288.267 1.404 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NC2CCC3(COC3)CC2)n1 ZINC001607138736 1164120929 /nfs/dbraw/zinc/12/09/29/1164120929.db2.gz JLSFGOUAEVOKPC-UHFFFAOYSA-N -1 1 287.327 1.028 20 0 CDADMM Cc1cc(CN2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc(Cl)n1 ZINC001607637700 1164249099 /nfs/dbraw/zinc/24/90/99/1164249099.db2.gz HFNDYNJMZOTHNG-GHMZBOCLSA-N -1 1 284.743 1.311 20 0 CDADMM O=C([O-])[C@H](Cc1cc2ccccc2o1)NCC1OCCO1 ZINC001608539767 1164537655 /nfs/dbraw/zinc/53/76/55/1164537655.db2.gz IVRZIOJVNKLIOG-LBPRGKRZSA-N -1 1 291.303 1.391 20 0 CDADMM O=C([O-])[C@H](N[C@@H]1CCCN(C2CCCCC2)C1=O)C1CC1 ZINC001608545677 1164540510 /nfs/dbraw/zinc/54/05/10/1164540510.db2.gz DXVHQLSPAIVCAW-ZIAGYGMSSA-N -1 1 294.395 1.763 20 0 CDADMM O=C([O-])[C@H](c1ccc(F)cc1)N1CCO[C@@]2(CCOC2)C1 ZINC001608560866 1164545922 /nfs/dbraw/zinc/54/59/22/1164545922.db2.gz FSINZHGMZPKHFV-ZFWWWQNUSA-N -1 1 295.310 1.443 20 0 CDADMM O=C([O-])c1cccc(Cl)c1CN1CCN(CCO)CC1 ZINC001608933441 1164689165 /nfs/dbraw/zinc/68/91/65/1164689165.db2.gz KQWLVIWXIOSDFJ-UHFFFAOYSA-N -1 1 298.770 1.148 20 0 CDADMM O=C([O-])c1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)[O-] ZINC001608946806 1164691514 /nfs/dbraw/zinc/69/15/14/1164691514.db2.gz YRORAPHXLNLPBV-LBPRGKRZSA-N -1 1 263.293 1.824 20 0 CDADMM O=CN1CCCN([C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC001609047604 1164740560 /nfs/dbraw/zinc/74/05/60/1164740560.db2.gz HHSFDYZRSUQQRY-CYBMUJFWSA-N -1 1 280.299 1.116 20 0 CDADMM CC(C)[C@]1(C)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001609089958 1164765351 /nfs/dbraw/zinc/76/53/51/1164765351.db2.gz JMIAUDQERUCPEI-UFBFGSQYSA-N -1 1 259.317 1.503 20 0 CDADMM C[C@H](Cn1cccc(-c2nn[n-]n2)c1=O)c1ccccc1 ZINC001609116210 1164778611 /nfs/dbraw/zinc/77/86/11/1164778611.db2.gz CTENCRJRUWMGAF-LLVKDONJSA-N -1 1 281.319 1.832 20 0 CDADMM CC(F)(F)CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001609116469 1164779946 /nfs/dbraw/zinc/77/99/46/1164779946.db2.gz NZLLOFBHTGIVCT-UHFFFAOYSA-N -1 1 283.238 1.350 20 0 CDADMM CC(F)(F)CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001609116469 1164779956 /nfs/dbraw/zinc/77/99/56/1164779956.db2.gz NZLLOFBHTGIVCT-UHFFFAOYSA-N -1 1 283.238 1.350 20 0 CDADMM C[C@@]1(CNc2cccnc2-c2nnn[n-]2)CCCC[C@@H]1O ZINC001609149257 1164795821 /nfs/dbraw/zinc/79/58/21/1164795821.db2.gz GDCJMWDIUKGXLQ-FZMZJTMJSA-N -1 1 288.355 1.615 20 0 CDADMM C[C@@]1(CNc2cccnc2-c2nn[n-]n2)CCCC[C@@H]1O ZINC001609149257 1164795829 /nfs/dbraw/zinc/79/58/29/1164795829.db2.gz GDCJMWDIUKGXLQ-FZMZJTMJSA-N -1 1 288.355 1.615 20 0 CDADMM CC[C@@H]1[C@@H](C)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001609199406 1164839600 /nfs/dbraw/zinc/83/96/00/1164839600.db2.gz WAARWZVFELHVDB-WCBMZHEXSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@@H]1[C@@H](C)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001609199406 1164839605 /nfs/dbraw/zinc/83/96/05/1164839605.db2.gz WAARWZVFELHVDB-WCBMZHEXSA-N -1 1 259.317 1.282 20 0 CDADMM CCc1ccccc1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001609253559 1164865677 /nfs/dbraw/zinc/86/56/77/1164865677.db2.gz XAGLICGQTXSJCQ-UHFFFAOYSA-N -1 1 281.323 1.831 20 0 CDADMM CCc1ccccc1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001609253559 1164865686 /nfs/dbraw/zinc/86/56/86/1164865686.db2.gz XAGLICGQTXSJCQ-UHFFFAOYSA-N -1 1 281.323 1.831 20 0 CDADMM CCc1ccnc(CNc2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001609253872 1164866439 /nfs/dbraw/zinc/86/64/39/1164866439.db2.gz VROLPCRKAOKMFK-UHFFFAOYSA-N -1 1 296.338 1.535 20 0 CDADMM CCc1ccnc(CNc2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001609253872 1164866445 /nfs/dbraw/zinc/86/64/45/1164866445.db2.gz VROLPCRKAOKMFK-UHFFFAOYSA-N -1 1 296.338 1.535 20 0 CDADMM COc1ccc([C@H](C)Nc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001609352682 1164909247 /nfs/dbraw/zinc/90/92/47/1164909247.db2.gz LVWYCGNLMGKXKD-VIFPVBQESA-N -1 1 297.322 1.838 20 0 CDADMM COc1ccc([C@H](C)Nc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001609352682 1164909254 /nfs/dbraw/zinc/90/92/54/1164909254.db2.gz LVWYCGNLMGKXKD-VIFPVBQESA-N -1 1 297.322 1.838 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCCNc2ccccc2)n1 ZINC001609392385 1164925162 /nfs/dbraw/zinc/92/51/62/1164925162.db2.gz ODKXWPZLQDOQAA-UHFFFAOYSA-N -1 1 296.338 1.489 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCCNc2ccccc2)n1 ZINC001609392385 1164925170 /nfs/dbraw/zinc/92/51/70/1164925170.db2.gz ODKXWPZLQDOQAA-UHFFFAOYSA-N -1 1 296.338 1.489 20 0 CDADMM Cc1cc(N2CCC[C@@](C)(F)C2)cc(-c2nnn[n-]2)n1 ZINC001609405043 1164932035 /nfs/dbraw/zinc/93/20/35/1164932035.db2.gz UBAAXKYBYJGQFP-CYBMUJFWSA-N -1 1 276.319 1.899 20 0 CDADMM Cc1cc(N2CCC[C@@](C)(F)C2)cc(-c2nn[n-]n2)n1 ZINC001609405043 1164932043 /nfs/dbraw/zinc/93/20/43/1164932043.db2.gz UBAAXKYBYJGQFP-CYBMUJFWSA-N -1 1 276.319 1.899 20 0 CDADMM Cc1cc(N[C@H]2CSC2(C)C)cc(-c2nnn[n-]2)n1 ZINC001609409520 1164935695 /nfs/dbraw/zinc/93/56/95/1164935695.db2.gz MPUHHNAKFMSUFV-JTQLQIEISA-N -1 1 276.369 1.298 20 0 CDADMM Cc1cc(N[C@H]2CSC2(C)C)cc(-c2nn[n-]n2)n1 ZINC001609409520 1164935703 /nfs/dbraw/zinc/93/57/03/1164935703.db2.gz MPUHHNAKFMSUFV-JTQLQIEISA-N -1 1 276.369 1.298 20 0 CDADMM Cc1ccc(CN(C)c2cncc(-c3nnn[n-]3)n2)o1 ZINC001609423262 1164939043 /nfs/dbraw/zinc/93/90/43/1164939043.db2.gz HEFDPIFGRVXQMF-UHFFFAOYSA-N -1 1 271.284 1.195 20 0 CDADMM Cc1ccc(CN(C)c2cncc(-c3nn[n-]n3)n2)o1 ZINC001609423262 1164939050 /nfs/dbraw/zinc/93/90/50/1164939050.db2.gz HEFDPIFGRVXQMF-UHFFFAOYSA-N -1 1 271.284 1.195 20 0 CDADMM Cc1onc(CC(=O)N[C@H]2CCC2(C)C)c1-c1nnn[n-]1 ZINC001609471122 1164964741 /nfs/dbraw/zinc/96/47/41/1164964741.db2.gz RWVTVOBLXOEHTH-VIFPVBQESA-N -1 1 290.327 1.010 20 0 CDADMM Cc1onc(CC(=O)N[C@H]2CCC2(C)C)c1-c1nn[n-]n1 ZINC001609471122 1164964752 /nfs/dbraw/zinc/96/47/52/1164964752.db2.gz RWVTVOBLXOEHTH-VIFPVBQESA-N -1 1 290.327 1.010 20 0 CDADMM Clc1nc(N2CC[C@@H]3C[C@@H]32)sc1-c1nnn[n-]1 ZINC001609474749 1164966450 /nfs/dbraw/zinc/96/64/50/1164966450.db2.gz QPIRAFXQJUOART-UHNVWZDZSA-N -1 1 268.733 1.575 20 0 CDADMM Clc1nc(N2CC[C@@H]3C[C@@H]32)sc1-c1nn[n-]n1 ZINC001609474749 1164966456 /nfs/dbraw/zinc/96/64/56/1164966456.db2.gz QPIRAFXQJUOART-UHNVWZDZSA-N -1 1 268.733 1.575 20 0 CDADMM Clc1nsc(N2CC(C3CC3)C2)c1-c1nnn[n-]1 ZINC001609474552 1164967269 /nfs/dbraw/zinc/96/72/69/1164967269.db2.gz FZVJNSKTTNFIAE-UHFFFAOYSA-N -1 1 282.760 1.823 20 0 CDADMM Clc1nsc(N2CC(C3CC3)C2)c1-c1nn[n-]n1 ZINC001609474552 1164967272 /nfs/dbraw/zinc/96/72/72/1164967272.db2.gz FZVJNSKTTNFIAE-UHFFFAOYSA-N -1 1 282.760 1.823 20 0 CDADMM Clc1ccccc1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001609474028 1164967847 /nfs/dbraw/zinc/96/78/47/1164967847.db2.gz AZYRUQWAKFWHHF-UHFFFAOYSA-N -1 1 287.714 1.344 20 0 CDADMM OC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)c2ccccc21 ZINC001609609601 1165005483 /nfs/dbraw/zinc/00/54/83/1165005483.db2.gz MMZVNYFIDXKEPW-SNVBAGLBSA-N -1 1 297.318 1.556 20 0 CDADMM OC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)c2ccccc21 ZINC001609609601 1165005486 /nfs/dbraw/zinc/00/54/86/1165005486.db2.gz MMZVNYFIDXKEPW-SNVBAGLBSA-N -1 1 297.318 1.556 20 0 CDADMM Oc1ccc(Sc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001609611329 1165006767 /nfs/dbraw/zinc/00/67/67/1165006767.db2.gz XYGQNTGFJKCPMO-UHFFFAOYSA-N -1 1 272.293 1.514 20 0 CDADMM Oc1ccc(Sc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001609611329 1165006769 /nfs/dbraw/zinc/00/67/69/1165006769.db2.gz XYGQNTGFJKCPMO-UHFFFAOYSA-N -1 1 272.293 1.514 20 0 CDADMM c1cc(NCCOCC2CCC2)nc(-c2nnn[n-]2)c1 ZINC001609614934 1165011640 /nfs/dbraw/zinc/01/16/40/1165011640.db2.gz XUSFCJNTIPXINJ-UHFFFAOYSA-N -1 1 274.328 1.490 20 0 CDADMM c1cc(NCCOCC2CCC2)nc(-c2nn[n-]n2)c1 ZINC001609614934 1165011648 /nfs/dbraw/zinc/01/16/48/1165011648.db2.gz XUSFCJNTIPXINJ-UHFFFAOYSA-N -1 1 274.328 1.490 20 0 CDADMM c1cc2c(o1)CCCN(c1ncncc1-c1nn[n-]n1)C2 ZINC001609621099 1165016939 /nfs/dbraw/zinc/01/69/39/1165016939.db2.gz QBNMLBOZZVCQBP-UHFFFAOYSA-N -1 1 283.295 1.203 20 0 CDADMM CC1(C)C(=O)N(CN2CCC[C@H](C(=O)[O-])C2)[C@H]1C1CC1 ZINC001609812939 1165092095 /nfs/dbraw/zinc/09/20/95/1165092095.db2.gz QVHDESVDNDRVQI-RYUDHWBXSA-N -1 1 280.368 1.388 20 0 CDADMM CN(C(=O)c1c(O)cccc1F)C(C)(C)CC(=O)[O-] ZINC001610092045 1165213417 /nfs/dbraw/zinc/21/34/17/1165213417.db2.gz BGROTKPNFRPTHL-UHFFFAOYSA-N -1 1 269.272 1.857 20 0 CDADMM Cc1cc(C(=O)[O-])ccc1NC(=O)N1CCN[C@@H](C)C1 ZINC001610440909 1165315869 /nfs/dbraw/zinc/31/58/69/1165315869.db2.gz IKLFDEWIAZUYFV-JTQLQIEISA-N -1 1 277.324 1.519 20 0 CDADMM O=C([O-])[C@H](NC[C@H](O)C(F)(F)F)c1cccc(O)c1 ZINC001610718006 1165414000 /nfs/dbraw/zinc/41/40/00/1165414000.db2.gz MKARBFZBALDDHQ-DTWKUNHWSA-N -1 1 279.214 1.031 20 0 CDADMM O=C([O-])c1cn(CN2CC[C@@H](c3ccccc3)C2)nn1 ZINC001610859947 1165464182 /nfs/dbraw/zinc/46/41/82/1165464182.db2.gz AWHROPQMLOJCLX-GFCCVEGCSA-N -1 1 272.308 1.423 20 0 CDADMM O=C(Nc1ccc2nncn2c1)c1cccc([O-])c1F ZINC001632595964 1166361764 /nfs/dbraw/zinc/36/17/64/1166361764.db2.gz QQDSHEFCRBEBFF-UHFFFAOYSA-N -1 1 272.239 1.826 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@](C)(O)c1ccccc1 ZINC001637951696 1166806052 /nfs/dbraw/zinc/80/60/52/1166806052.db2.gz AAQJXPIPLYQWKI-ZDUSSCGKSA-N -1 1 261.281 1.270 20 0 CDADMM O=C(NC[C@@H]1CCCCO1)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155269402 1167111283 /nfs/dbraw/zinc/11/12/83/1167111283.db2.gz DNDPOXSBLGQGMA-JTQLQIEISA-N -1 1 275.308 1.567 20 0 CDADMM Cn1cnc([N-]C(=O)c2ncc(Cc3ccccc3)o2)n1 ZINC001641686540 1167129396 /nfs/dbraw/zinc/12/93/96/1167129396.db2.gz FTNMZBOOZSPJBK-UHFFFAOYSA-N -1 1 283.291 1.646 20 0 CDADMM O=C(NCc1ccns1)c1ccc(F)c([O-])c1 ZINC001645559925 1167420257 /nfs/dbraw/zinc/42/02/57/1167420257.db2.gz WPOMNSJJIVCXDJ-UHFFFAOYSA-N -1 1 252.270 1.918 20 0 CDADMM CC[C@@H](C(=O)OCc1nn[n-]n1)c1ccc(OC)cc1 ZINC001646881847 1168221278 /nfs/dbraw/zinc/22/12/78/1168221278.db2.gz GSJIGRWMKJITSG-LLVKDONJSA-N -1 1 276.296 1.445 20 0 CDADMM COC[C@H]1CCCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001647410495 1168658733 /nfs/dbraw/zinc/65/87/33/1168658733.db2.gz RPXWSVVDQKAVJG-JTQLQIEISA-N -1 1 291.351 1.558 20 0 CDADMM Cc1nc2ccccc2c(C)c1C(=O)N(C)c1nn[n-]n1 ZINC001647844676 1169067629 /nfs/dbraw/zinc/06/76/29/1169067629.db2.gz PRBRLZSSBMFUDL-UHFFFAOYSA-N -1 1 282.307 1.641 20 0 CDADMM CN(C(=O)c1c[nH]cc1-c1ccccc1)c1nn[n-]n1 ZINC001647844666 1169068005 /nfs/dbraw/zinc/06/80/05/1169068005.db2.gz PCVNSPTYKMQICV-UHFFFAOYSA-N -1 1 268.280 1.471 20 0 CDADMM O=C(Nc1ccn2ccnc2c1)c1cnc(C2CC2)[n-]c1=O ZINC001568610361 1169396867 /nfs/dbraw/zinc/39/68/67/1169396867.db2.gz NDGOUYZWWHLGFK-UHFFFAOYSA-N -1 1 295.302 1.960 20 0 CDADMM COc1cccc(C(=O)N(C)c2nn[n-]n2)c1OC(F)F ZINC001649999134 1169588001 /nfs/dbraw/zinc/58/80/01/1169588001.db2.gz OSDIDMHTEBOTRD-UHFFFAOYSA-N -1 1 299.237 1.086 20 0 CDADMM Cc1cccc2oc(C(=O)Nn3c(=O)[n-][nH]c3=O)cc21 ZINC001569827228 1170009013 /nfs/dbraw/zinc/00/90/13/1170009013.db2.gz FSKIIZQLSLXFCV-UHFFFAOYSA-N -1 1 274.236 1.128 20 0 CDADMM CC(C)C[C@@H](CNC(=O)c1cccc(F)c1O)NC(=O)[O-] ZINC001573501343 1170674869 /nfs/dbraw/zinc/67/48/69/1170674869.db2.gz DUTJHAUPUYSTDR-VIFPVBQESA-N -1 1 298.314 1.943 20 0 CDADMM CC(C)(O)CCn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001573936128 1170833480 /nfs/dbraw/zinc/83/34/80/1170833480.db2.gz OPAZNVNZGYRYDQ-UHFFFAOYSA-N -1 1 299.338 1.286 20 0 CDADMM Cc1cc(C(=O)N2CC[C@H](c3[nH]ncc3C(=O)[O-])C2)on1 ZINC001574126637 1170890965 /nfs/dbraw/zinc/89/09/65/1170890965.db2.gz BMYLSNNVRTXGGV-QMMMGPOBSA-N -1 1 290.279 1.034 20 0 CDADMM Cc1cccc([C@H](NC(=O)c2[nH]ncc2F)C(=O)[O-])c1C ZINC001574164810 1170901242 /nfs/dbraw/zinc/90/12/42/1170901242.db2.gz WAYHXIGVAIYFJH-NSHDSACASA-N -1 1 291.282 1.721 20 0 CDADMM CC(C)Oc1ccc(Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001574342328 1170952463 /nfs/dbraw/zinc/95/24/63/1170952463.db2.gz UURABKSQZQRWAZ-UHFFFAOYSA-N -1 1 297.322 1.609 20 0 CDADMM O=C([O-])N1CCN(C(=O)c2c3[nH]cnc3ccc2F)CC1 ZINC001574376937 1170961164 /nfs/dbraw/zinc/96/11/64/1170961164.db2.gz KMLYJSBCGXWQMD-UHFFFAOYSA-N -1 1 292.270 1.138 20 0 CDADMM O=C([O-])[C@@H]1C2CCC(CC2)N1C(=O)CCN1CC[C@@H](F)C1 ZINC001574384991 1170964349 /nfs/dbraw/zinc/96/43/49/1170964349.db2.gz SPPJAEGCWAFNIX-QKVQEHJESA-N -1 1 298.358 1.275 20 0 CDADMM O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1Cc1nnc(C2CC2)o1 ZINC001574403499 1170973300 /nfs/dbraw/zinc/97/33/00/1170973300.db2.gz PQNUUULKQKTPLH-NGZCFLSTSA-N -1 1 263.297 1.385 20 0 CDADMM Cn1c2ccccc2nc1NC(=O)CCCc1nn[n-]n1 ZINC001651508928 1171330731 /nfs/dbraw/zinc/33/07/31/1171330731.db2.gz DUBUDMPQWQNTRX-UHFFFAOYSA-N -1 1 285.311 1.048 20 0 CDADMM O=C(Nc1ccncc1[O-])c1nc2cnccc2s1 ZINC001654301985 1171603999 /nfs/dbraw/zinc/60/39/99/1171603999.db2.gz WYRLWSFZIOMGST-UHFFFAOYSA-N -1 1 272.289 1.466 20 0 CDADMM CCNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001578238091 1171845190 /nfs/dbraw/zinc/84/51/90/1171845190.db2.gz CHEUXCHVFVZULZ-UHFFFAOYSA-N -1 1 256.269 1.098 20 0 CDADMM Cc1[nH]nc(NCc2cc(F)ccc2C)c1-c1nnn[n-]1 ZINC001581206777 1172593098 /nfs/dbraw/zinc/59/30/98/1172593098.db2.gz IPCYQDANTMTKMU-UHFFFAOYSA-N -1 1 287.302 1.958 20 0 CDADMM Cc1[nH]nc(NCc2cc(F)ccc2C)c1-c1nn[n-]n1 ZINC001581206777 1172593104 /nfs/dbraw/zinc/59/31/04/1172593104.db2.gz IPCYQDANTMTKMU-UHFFFAOYSA-N -1 1 287.302 1.958 20 0 CDADMM Fc1cccc([C@@H]2CCN2c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001581854904 1172625081 /nfs/dbraw/zinc/62/50/81/1172625081.db2.gz BQNPIFVLQYKMOL-NSHDSACASA-N -1 1 297.297 1.747 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cncs1 ZINC001582551710 1172682136 /nfs/dbraw/zinc/68/21/36/1172682136.db2.gz YJCWGLPVWCYKBS-UHFFFAOYSA-N -1 1 292.349 1.315 20 0 CDADMM O=C(CCCc1nn[n-]n1)Nc1cccc(-c2ncc[nH]2)c1 ZINC001584874753 1172860036 /nfs/dbraw/zinc/86/00/36/1172860036.db2.gz XTCMTUNDHQXYME-UHFFFAOYSA-N -1 1 297.322 1.551 20 0 CDADMM Cc1cc(C(=O)N(C)c2nn[n-]n2)c(F)cc1F ZINC001587339822 1172982812 /nfs/dbraw/zinc/98/28/12/1172982812.db2.gz RFFVNZPWIOBYSZ-UHFFFAOYSA-N -1 1 253.212 1.063 20 0 CDADMM CC(C)(C)c1ncn(Cc2ccc(-c3nnn[n-]3)o2)n1 ZINC001589244514 1173130003 /nfs/dbraw/zinc/13/00/03/1173130003.db2.gz AXXIWERJEMCUKT-UHFFFAOYSA-N -1 1 273.300 1.397 20 0 CDADMM CC(C)(C)c1ncn(Cc2ccc(-c3nn[n-]n3)o2)n1 ZINC001589244514 1173130007 /nfs/dbraw/zinc/13/00/07/1173130007.db2.gz AXXIWERJEMCUKT-UHFFFAOYSA-N -1 1 273.300 1.397 20 0 CDADMM CC(C)(CCO)CNc1cccnc1-c1nnn[n-]1 ZINC001589276392 1173134095 /nfs/dbraw/zinc/13/40/95/1173134095.db2.gz WPSKIIDYCFVWQE-UHFFFAOYSA-N -1 1 262.317 1.082 20 0 CDADMM CC(C)(CCO)CNc1cccnc1-c1nn[n-]n1 ZINC001589276392 1173134103 /nfs/dbraw/zinc/13/41/03/1173134103.db2.gz WPSKIIDYCFVWQE-UHFFFAOYSA-N -1 1 262.317 1.082 20 0 CDADMM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589501612 1173151327 /nfs/dbraw/zinc/15/13/27/1173151327.db2.gz HLVWIRNXEQUVTQ-IUCAKERBSA-N -1 1 272.312 1.492 20 0 CDADMM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589501612 1173151331 /nfs/dbraw/zinc/15/13/31/1173151331.db2.gz HLVWIRNXEQUVTQ-IUCAKERBSA-N -1 1 272.312 1.492 20 0 CDADMM CC(C)[C@H]1C[C@H]1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589501613 1173151569 /nfs/dbraw/zinc/15/15/69/1173151569.db2.gz HLVWIRNXEQUVTQ-RKDXNWHRSA-N -1 1 272.312 1.492 20 0 CDADMM CC(C)[C@H]1C[C@H]1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589501613 1173151573 /nfs/dbraw/zinc/15/15/73/1173151573.db2.gz HLVWIRNXEQUVTQ-RKDXNWHRSA-N -1 1 272.312 1.492 20 0 CDADMM CC(C)[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)[C@H]1C(C)C ZINC001589519408 1173154039 /nfs/dbraw/zinc/15/40/39/1173154039.db2.gz XWGPGVBYDQGRAI-GWCFXTLKSA-N -1 1 287.371 1.774 20 0 CDADMM CC(C)[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)[C@H]1C(C)C ZINC001589519408 1173154041 /nfs/dbraw/zinc/15/40/41/1173154041.db2.gz XWGPGVBYDQGRAI-GWCFXTLKSA-N -1 1 287.371 1.774 20 0 CDADMM CC(C)CC[C@@](C)(O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001589588018 1173159455 /nfs/dbraw/zinc/15/94/55/1173159455.db2.gz HFCAFSFTUDCPJN-CYBMUJFWSA-N -1 1 291.359 1.256 20 0 CDADMM CC(C)CC[C@@](C)(O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001589588018 1173159459 /nfs/dbraw/zinc/15/94/59/1173159459.db2.gz HFCAFSFTUDCPJN-CYBMUJFWSA-N -1 1 291.359 1.256 20 0 CDADMM C[C@@H](CO)Nc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001589882568 1173196701 /nfs/dbraw/zinc/19/67/01/1173196701.db2.gz QCJXOIQQHXEPBL-YFKPBYRVSA-N -1 1 288.233 1.073 20 0 CDADMM C[C@@H](CO)Nc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001589882568 1173196703 /nfs/dbraw/zinc/19/67/03/1173196703.db2.gz QCJXOIQQHXEPBL-YFKPBYRVSA-N -1 1 288.233 1.073 20 0 CDADMM C[C@@H](Cc1ccncc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001589902997 1173200416 /nfs/dbraw/zinc/20/04/16/1173200416.db2.gz XESJJXHJXARRIE-VIFPVBQESA-N -1 1 282.311 1.095 20 0 CDADMM C[C@@H](Cc1ccncc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001589902997 1173200422 /nfs/dbraw/zinc/20/04/22/1173200422.db2.gz XESJJXHJXARRIE-VIFPVBQESA-N -1 1 282.311 1.095 20 0 CDADMM C[C@@H](O)[C@@H](C)n1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001589997637 1173227465 /nfs/dbraw/zinc/22/74/65/1173227465.db2.gz UFOGFWSNJSIYMJ-RKDXNWHRSA-N -1 1 285.307 1.123 20 0 CDADMM C[C@@H](Sc1cccnc1-c1nnn[n-]1)c1cnccn1 ZINC001590035095 1173237743 /nfs/dbraw/zinc/23/77/43/1173237743.db2.gz BGWFIFIYUQXIMK-MRVPVSSYSA-N -1 1 285.336 1.905 20 0 CDADMM C[C@@H](Sc1cccnc1-c1nn[n-]n1)c1cnccn1 ZINC001590035095 1173237746 /nfs/dbraw/zinc/23/77/46/1173237746.db2.gz BGWFIFIYUQXIMK-MRVPVSSYSA-N -1 1 285.336 1.905 20 0 CDADMM C[C@@]1(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CC1(F)F ZINC001590070619 1173244385 /nfs/dbraw/zinc/24/43/85/1173244385.db2.gz FHKWSMZWPUWVEL-JTQLQIEISA-N -1 1 280.238 1.246 20 0 CDADMM C[C@@]1(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CC1(F)F ZINC001590070619 1173244388 /nfs/dbraw/zinc/24/43/88/1173244388.db2.gz FHKWSMZWPUWVEL-JTQLQIEISA-N -1 1 280.238 1.246 20 0 CDADMM CC1(C)CC(C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001590078803 1173249495 /nfs/dbraw/zinc/24/94/95/1173249495.db2.gz YEPPULSRLCJUKR-UHFFFAOYSA-N -1 1 291.380 1.981 20 0 CDADMM CC1(C)C[C@@]1(C)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590087540 1173251898 /nfs/dbraw/zinc/25/18/98/1173251898.db2.gz UKVOXLUXKSNPIP-CYBMUJFWSA-N -1 1 272.312 1.180 20 0 CDADMM CC1(C)C[C@@]1(C)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590087540 1173251905 /nfs/dbraw/zinc/25/19/05/1173251905.db2.gz UKVOXLUXKSNPIP-CYBMUJFWSA-N -1 1 272.312 1.180 20 0 CDADMM CC1(C)CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001590089930 1173253543 /nfs/dbraw/zinc/25/35/43/1173253543.db2.gz BNJPCGDCTHPPGY-UHFFFAOYSA-N -1 1 273.344 1.459 20 0 CDADMM CC1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001590102807 1173257555 /nfs/dbraw/zinc/25/75/55/1173257555.db2.gz UYQAPGKYBNILHE-UHFFFAOYSA-N -1 1 263.326 1.410 20 0 CDADMM CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001590102807 1173257559 /nfs/dbraw/zinc/25/75/59/1173257559.db2.gz UYQAPGKYBNILHE-UHFFFAOYSA-N -1 1 263.326 1.410 20 0 CDADMM CC1(C)CN(C(=O)c2coc(-c3nnn[n-]3)c2)CCS1 ZINC001590103584 1173257955 /nfs/dbraw/zinc/25/79/55/1173257955.db2.gz AHLTUQGVBXXRMW-UHFFFAOYSA-N -1 1 293.352 1.427 20 0 CDADMM CC1(C)CN(C(=O)c2coc(-c3nn[n-]n3)c2)CCS1 ZINC001590103584 1173257960 /nfs/dbraw/zinc/25/79/60/1173257960.db2.gz AHLTUQGVBXXRMW-UHFFFAOYSA-N -1 1 293.352 1.427 20 0 CDADMM CC1=C[C@H](C)CN(c2cccnc2-c2nnn[n-]2)C1 ZINC001590157855 1173275460 /nfs/dbraw/zinc/27/54/60/1173275460.db2.gz RYNRAWICEKWQDK-VIFPVBQESA-N -1 1 256.313 1.664 20 0 CDADMM CC1=C[C@H](C)CN(c2cccnc2-c2nn[n-]n2)C1 ZINC001590157855 1173275471 /nfs/dbraw/zinc/27/54/71/1173275471.db2.gz RYNRAWICEKWQDK-VIFPVBQESA-N -1 1 256.313 1.664 20 0 CDADMM C[C@@H]1C[C@@H](COC(=O)c2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001590193958 1173287816 /nfs/dbraw/zinc/28/78/16/1173287816.db2.gz UESWGLVFMINJNY-BDAKNGLRSA-N -1 1 292.295 1.432 20 0 CDADMM C[C@@H]1CCC(C)(C)N1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590225228 1173304224 /nfs/dbraw/zinc/30/42/24/1173304224.db2.gz JMPFSSTXBAYEND-MRVPVSSYSA-N -1 1 275.312 1.863 20 0 CDADMM C[C@@H]1CCC(C)(C)N1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590225228 1173304230 /nfs/dbraw/zinc/30/42/30/1173304230.db2.gz JMPFSSTXBAYEND-MRVPVSSYSA-N -1 1 275.312 1.863 20 0 CDADMM C[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)Cc2ccccc21 ZINC001590313054 1173347706 /nfs/dbraw/zinc/34/77/06/1173347706.db2.gz BHNIVCLJNQNTGH-JTQLQIEISA-N -1 1 293.334 1.780 20 0 CDADMM C[C@H]1COCC[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC001590325425 1173357707 /nfs/dbraw/zinc/35/77/07/1173357707.db2.gz SLJLDTOZBNGZPO-DTWKUNHWSA-N -1 1 260.301 1.099 20 0 CDADMM C[C@H]1COCC[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC001590325425 1173357715 /nfs/dbraw/zinc/35/77/15/1173357715.db2.gz SLJLDTOZBNGZPO-DTWKUNHWSA-N -1 1 260.301 1.099 20 0 CDADMM C[C@@H]1CSCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001590326663 1173359536 /nfs/dbraw/zinc/35/95/36/1173359536.db2.gz IURMBUBGOKRGII-QMMMGPOBSA-N -1 1 293.352 1.285 20 0 CDADMM C[C@@H]1CSCCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590326663 1173359541 /nfs/dbraw/zinc/35/95/41/1173359541.db2.gz IURMBUBGOKRGII-QMMMGPOBSA-N -1 1 293.352 1.285 20 0 CDADMM CCC(=O)COC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001590359465 1173374986 /nfs/dbraw/zinc/37/49/86/1173374986.db2.gz IIVSHMBLZRMYJE-UHFFFAOYSA-N -1 1 266.282 1.064 20 0 CDADMM CCC(=O)COC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590359465 1173374991 /nfs/dbraw/zinc/37/49/91/1173374991.db2.gz IIVSHMBLZRMYJE-UHFFFAOYSA-N -1 1 266.282 1.064 20 0 CDADMM CCC1(COC(=O)c2csc(-c3nnn[n-]3)c2)COC1 ZINC001590496166 1173434034 /nfs/dbraw/zinc/43/40/34/1173434034.db2.gz NNWPMNTYULVWCM-UHFFFAOYSA-N -1 1 294.336 1.512 20 0 CDADMM CCC1(COC(=O)c2csc(-c3nn[n-]n3)c2)COC1 ZINC001590496166 1173434044 /nfs/dbraw/zinc/43/40/44/1173434044.db2.gz NNWPMNTYULVWCM-UHFFFAOYSA-N -1 1 294.336 1.512 20 0 CDADMM CC[C@H]1C[C@@H](NC(=O)c2coc(-c3nnn[n-]3)c2)CCO1 ZINC001590504341 1173441157 /nfs/dbraw/zinc/44/11/57/1173441157.db2.gz GHZFUNHDVRQWKW-UWVGGRQHSA-N -1 1 291.311 1.147 20 0 CDADMM CC[C@H]1C[C@@H](NC(=O)c2coc(-c3nn[n-]n3)c2)CCO1 ZINC001590504341 1173441162 /nfs/dbraw/zinc/44/11/62/1173441162.db2.gz GHZFUNHDVRQWKW-UWVGGRQHSA-N -1 1 291.311 1.147 20 0 CDADMM CCC[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001590568411 1173466785 /nfs/dbraw/zinc/46/67/85/1173466785.db2.gz BVXNKGFOUOSYOB-SNVBAGLBSA-N -1 1 273.344 1.673 20 0 CDADMM CCC[C@@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001590568411 1173466788 /nfs/dbraw/zinc/46/67/88/1173466788.db2.gz BVXNKGFOUOSYOB-SNVBAGLBSA-N -1 1 273.344 1.673 20 0 CDADMM CCNc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cn1 ZINC001590748149 1173504064 /nfs/dbraw/zinc/50/40/64/1173504064.db2.gz HUZVXPCTHSNDSA-UHFFFAOYSA-N -1 1 282.311 1.832 20 0 CDADMM CCO[C@H]1C[C@@H](Nc2ccc(C)c(-c3nnn[n-]3)n2)C1 ZINC001590822423 1173521685 /nfs/dbraw/zinc/52/16/85/1173521685.db2.gz ALZPQRRRYIJKIK-AOOOYVTPSA-N -1 1 274.328 1.550 20 0 CDADMM CCO[C@H]1C[C@@H](Nc2ccc(C)c(-c3nn[n-]n3)n2)C1 ZINC001590822423 1173521692 /nfs/dbraw/zinc/52/16/92/1173521692.db2.gz ALZPQRRRYIJKIK-AOOOYVTPSA-N -1 1 274.328 1.550 20 0 CDADMM CCc1cc(C)c(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)o1 ZINC001590881615 1173535202 /nfs/dbraw/zinc/53/52/02/1173535202.db2.gz GQNKNOWIVOZYMA-UHFFFAOYSA-N -1 1 287.283 1.306 20 0 CDADMM CCc1cnccc1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001590902069 1173538588 /nfs/dbraw/zinc/53/85/88/1173538588.db2.gz SOYCQSNEXUYZSQ-UHFFFAOYSA-N -1 1 282.311 1.226 20 0 CDADMM CCc1cnccc1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001590902069 1173538591 /nfs/dbraw/zinc/53/85/91/1173538591.db2.gz SOYCQSNEXUYZSQ-UHFFFAOYSA-N -1 1 282.311 1.226 20 0 CDADMM CCc1nc(NCc2ccncc2C)cc(-c2nnn[n-]2)n1 ZINC001590922851 1173545142 /nfs/dbraw/zinc/54/51/42/1173545142.db2.gz STYGIFSDJCQDHU-UHFFFAOYSA-N -1 1 296.338 1.535 20 0 CDADMM CCc1nc(NCc2ccncc2C)cc(-c2nn[n-]n2)n1 ZINC001590922851 1173545148 /nfs/dbraw/zinc/54/51/48/1173545148.db2.gz STYGIFSDJCQDHU-UHFFFAOYSA-N -1 1 296.338 1.535 20 0 CDADMM CN(CCOc1ccccc1)c1ncncc1-c1nn[n-]n1 ZINC001591116038 1173571648 /nfs/dbraw/zinc/57/16/48/1173571648.db2.gz FNVDLOCSMGIPAA-UHFFFAOYSA-N -1 1 297.322 1.172 20 0 CDADMM CO[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001591315239 1173601834 /nfs/dbraw/zinc/60/18/34/1173601834.db2.gz QWDIJOUZTFUUAI-SNVBAGLBSA-N -1 1 294.336 1.396 20 0 CDADMM CO[C@H]1C[C@@H](Nc2cc(C)cc(-c3nnn[n-]3)n2)C1(C)C ZINC001591351157 1173622704 /nfs/dbraw/zinc/62/27/04/1173622704.db2.gz YQQRUXQKFIPSOR-MNOVXSKESA-N -1 1 288.355 1.796 20 0 CDADMM CO[C@H]1C[C@@H](Nc2cc(C)cc(-c3nn[n-]n3)n2)C1(C)C ZINC001591351157 1173622707 /nfs/dbraw/zinc/62/27/07/1173622707.db2.gz YQQRUXQKFIPSOR-MNOVXSKESA-N -1 1 288.355 1.796 20 0 CDADMM COc1ccccc1CNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591650469 1173677261 /nfs/dbraw/zinc/67/72/61/1173677261.db2.gz RPHWJJPICGCOGZ-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1ccccc1CNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591650469 1173677265 /nfs/dbraw/zinc/67/72/65/1173677265.db2.gz RPHWJJPICGCOGZ-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1cccc(Sc2cncc(-c3nnn[n-]3)n2)c1 ZINC001591642359 1173677539 /nfs/dbraw/zinc/67/75/39/1173677539.db2.gz MJNQQYUQABNJFQ-UHFFFAOYSA-N -1 1 286.320 1.817 20 0 CDADMM COc1cccc(Sc2cncc(-c3nn[n-]n3)n2)c1 ZINC001591642359 1173677542 /nfs/dbraw/zinc/67/75/42/1173677542.db2.gz MJNQQYUQABNJFQ-UHFFFAOYSA-N -1 1 286.320 1.817 20 0 CDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CC12CC2 ZINC001591732979 1173693267 /nfs/dbraw/zinc/69/32/67/1173693267.db2.gz QWKXQFNWQJBMCR-SCZZXKLOSA-N -1 1 285.307 1.607 20 0 CDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CC12CC2 ZINC001591732979 1173693270 /nfs/dbraw/zinc/69/32/70/1173693270.db2.gz QWKXQFNWQJBMCR-SCZZXKLOSA-N -1 1 285.307 1.607 20 0 CDADMM C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001591769419 1173697213 /nfs/dbraw/zinc/69/72/13/1173697213.db2.gz PBWDUFOLLMLTMU-VIFPVBQESA-N -1 1 286.339 1.570 20 0 CDADMM C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001591769419 1173697216 /nfs/dbraw/zinc/69/72/16/1173697216.db2.gz PBWDUFOLLMLTMU-VIFPVBQESA-N -1 1 286.339 1.570 20 0 CDADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@H]2C[C@@H]2C(C)C)nn1C ZINC001591798437 1173707106 /nfs/dbraw/zinc/70/71/06/1173707106.db2.gz IYYLYQNCKRFSLY-BDAKNGLRSA-N -1 1 289.343 1.139 20 0 CDADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@H]2C[C@@H]2C(C)C)nn1C ZINC001591798437 1173707109 /nfs/dbraw/zinc/70/71/09/1173707109.db2.gz IYYLYQNCKRFSLY-BDAKNGLRSA-N -1 1 289.343 1.139 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCC[C@@H]2O)c1 ZINC001591883520 1173735405 /nfs/dbraw/zinc/73/54/05/1173735405.db2.gz SLWYOCDZWHGCJZ-PWSUYJOCSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCC[C@@H]2O)c1 ZINC001591883520 1173735415 /nfs/dbraw/zinc/73/54/15/1173735415.db2.gz SLWYOCDZWHGCJZ-PWSUYJOCSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C)[C@H](C)C2)c1 ZINC001591883869 1173735746 /nfs/dbraw/zinc/73/57/46/1173735746.db2.gz KFZKFEFDALTDCI-NXEZZACHSA-N -1 1 258.329 1.662 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C)[C@H](C)C2)c1 ZINC001591883869 1173735755 /nfs/dbraw/zinc/73/57/55/1173735755.db2.gz KFZKFEFDALTDCI-NXEZZACHSA-N -1 1 258.329 1.662 20 0 CDADMM Cc1cc(CNc2cc(C)nc(-c3nnn[n-]3)c2)ncn1 ZINC001591969867 1173761349 /nfs/dbraw/zinc/76/13/49/1173761349.db2.gz SJLDRLRMSBFBPN-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1cc(CNc2cc(C)nc(-c3nn[n-]n3)c2)ncn1 ZINC001591969867 1173761355 /nfs/dbraw/zinc/76/13/55/1173761355.db2.gz SJLDRLRMSBFBPN-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1cc(N(C)C(=O)c2ccnc(-c3nnn[n-]3)c2)ccn1 ZINC001591995987 1173766622 /nfs/dbraw/zinc/76/66/22/1173766622.db2.gz RPMQXANOXQMAPU-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM Cc1cc(N(C)C(=O)c2ccnc(-c3nn[n-]n3)c2)ccn1 ZINC001591995987 1173766625 /nfs/dbraw/zinc/76/66/25/1173766625.db2.gz RPMQXANOXQMAPU-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM Cc1cc(NCC2SCCS2)nc(-c2nnn[n-]2)c1 ZINC001592044413 1173783741 /nfs/dbraw/zinc/78/37/41/1173783741.db2.gz HIFKKOPAXRZRJV-UHFFFAOYSA-N -1 1 294.409 1.788 20 0 CDADMM Cc1cc(NCC2SCCS2)nc(-c2nn[n-]n2)c1 ZINC001592044413 1173783745 /nfs/dbraw/zinc/78/37/45/1173783745.db2.gz HIFKKOPAXRZRJV-UHFFFAOYSA-N -1 1 294.409 1.788 20 0 CDADMM Cc1ccc(CN(C)Cc2nc(-c3nnn[n-]3)cs2)o1 ZINC001592152436 1173810794 /nfs/dbraw/zinc/81/07/94/1173810794.db2.gz NJXMIXBTGJJUSD-UHFFFAOYSA-N -1 1 290.352 1.857 20 0 CDADMM Cc1ccc(CN(C)Cc2nc(-c3nn[n-]n3)cs2)o1 ZINC001592152436 1173810798 /nfs/dbraw/zinc/81/07/98/1173810798.db2.gz NJXMIXBTGJJUSD-UHFFFAOYSA-N -1 1 290.352 1.857 20 0 CDADMM Cc1ccc(CCNc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001592151466 1173812968 /nfs/dbraw/zinc/81/29/68/1173812968.db2.gz SPFMQSGZTZQJMJ-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1ccc(CCNc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001592151466 1173812973 /nfs/dbraw/zinc/81/29/73/1173812973.db2.gz SPFMQSGZTZQJMJ-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1ccc(NCC[C@H](C)F)nc1-c1nnn[n-]1 ZINC001592183039 1173823808 /nfs/dbraw/zinc/82/38/08/1173823808.db2.gz JOSCEYTXKJCXFU-QMMMGPOBSA-N -1 1 250.281 1.730 20 0 CDADMM Cc1ccc(NCC[C@H](C)F)nc1-c1nn[n-]n1 ZINC001592183039 1173823810 /nfs/dbraw/zinc/82/38/10/1173823810.db2.gz JOSCEYTXKJCXFU-QMMMGPOBSA-N -1 1 250.281 1.730 20 0 CDADMM Cc1ccc(Nc2ccnc(-c3nn[n-]n3)n2)cc1F ZINC001592186044 1173831388 /nfs/dbraw/zinc/83/13/88/1173831388.db2.gz IONXXMXHDSJUMZ-UHFFFAOYSA-N -1 1 271.259 1.270 20 0 CDADMM Cc1[nH]nc(NC(=O)Cc2ccccc2C)c1-c1nn[n-]n1 ZINC001592253932 1173835186 /nfs/dbraw/zinc/83/51/86/1173835186.db2.gz LDMPUFQCLLBURX-UHFFFAOYSA-N -1 1 297.322 1.388 20 0 CDADMM Cc1cccc(CN(C)c2cc(-c3nnn[n-]3)ncn2)c1 ZINC001592230125 1173835231 /nfs/dbraw/zinc/83/52/31/1173835231.db2.gz MASLLVFPTGKLKI-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1cccc(CN(C)c2cc(-c3nn[n-]n3)ncn2)c1 ZINC001592230125 1173835235 /nfs/dbraw/zinc/83/52/35/1173835235.db2.gz MASLLVFPTGKLKI-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1cccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1 ZINC001592237615 1173836666 /nfs/dbraw/zinc/83/66/66/1173836666.db2.gz PXTICUGPFUQMHZ-UHFFFAOYSA-N -1 1 294.318 1.751 20 0 CDADMM Cc1cccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1 ZINC001592237615 1173836670 /nfs/dbraw/zinc/83/66/70/1173836670.db2.gz PXTICUGPFUQMHZ-UHFFFAOYSA-N -1 1 294.318 1.751 20 0 CDADMM Cc1ccn(CN2C[C@H](C)C[C@@H]2C)c(=O)c1-c1nnn[n-]1 ZINC001592268023 1173838366 /nfs/dbraw/zinc/83/83/66/1173838366.db2.gz WFONKRFGYCOXNG-KOLCDFICSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccccc1OCCNc1cc(-c2nnn[n-]2)ncn1 ZINC001592260411 1173839459 /nfs/dbraw/zinc/83/94/59/1173839459.db2.gz UMBOBXUHYJDVGZ-UHFFFAOYSA-N -1 1 297.322 1.456 20 0 CDADMM Cc1ccccc1OCCNc1cc(-c2nn[n-]n2)ncn1 ZINC001592260411 1173839462 /nfs/dbraw/zinc/83/94/62/1173839462.db2.gz UMBOBXUHYJDVGZ-UHFFFAOYSA-N -1 1 297.322 1.456 20 0 CDADMM Cc1cncc(CNC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001592300127 1173849468 /nfs/dbraw/zinc/84/94/68/1173849468.db2.gz KCCSOVZYPATVDL-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1cncc(CNC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001592300127 1173849474 /nfs/dbraw/zinc/84/94/74/1173849474.db2.gz KCCSOVZYPATVDL-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1cscc1C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001592324471 1173854847 /nfs/dbraw/zinc/85/48/47/1173854847.db2.gz QWWJOPTZIGCPQJ-UHFFFAOYSA-N -1 1 289.324 1.520 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2Cc3ccc(O)cc3C2)n1 ZINC001592340683 1173862171 /nfs/dbraw/zinc/86/21/71/1173862171.db2.gz ZTMNOPVSTGWHAR-UHFFFAOYSA-N -1 1 295.306 1.191 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2Cc3ccc(O)cc3C2)n1 ZINC001592340683 1173862175 /nfs/dbraw/zinc/86/21/75/1173862175.db2.gz ZTMNOPVSTGWHAR-UHFFFAOYSA-N -1 1 295.306 1.191 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2cncc(F)c2)c1C ZINC001592339663 1173862711 /nfs/dbraw/zinc/86/27/11/1173862711.db2.gz QXLBGHJUPLRETO-UHFFFAOYSA-N -1 1 273.275 1.262 20 0 CDADMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@H](C)[C@H](C)O)n1 ZINC001592353631 1173864493 /nfs/dbraw/zinc/86/44/93/1173864493.db2.gz GGJWJOOQCDUQAC-NKWVEPMBSA-N -1 1 280.357 1.135 20 0 CDADMM Cc1nc(NC[C@H]2CCO[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001592387826 1173878492 /nfs/dbraw/zinc/87/84/92/1173878492.db2.gz QFTBAMAINBODNO-SCZZXKLOSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1nc(NC[C@H]2CCO[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001592387826 1173878497 /nfs/dbraw/zinc/87/84/97/1173878497.db2.gz QFTBAMAINBODNO-SCZZXKLOSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1ncccc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001592417011 1173883354 /nfs/dbraw/zinc/88/33/54/1173883354.db2.gz MPPUFEKXRWOVFG-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM Cc1ncccc1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592426880 1173888147 /nfs/dbraw/zinc/88/81/47/1173888147.db2.gz WZVLYLWBVYHWBB-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1ncccc1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592426880 1173888155 /nfs/dbraw/zinc/88/81/55/1173888155.db2.gz WZVLYLWBVYHWBB-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1nsc(Oc2cccnc2)c1-c1nnn[n-]1 ZINC001592494140 1173906187 /nfs/dbraw/zinc/90/61/87/1173906187.db2.gz GRXXQKYVMDCGJQ-UHFFFAOYSA-N -1 1 260.282 1.819 20 0 CDADMM Cc1nsc(Oc2cccnc2)c1-c1nn[n-]n1 ZINC001592494140 1173906193 /nfs/dbraw/zinc/90/61/93/1173906193.db2.gz GRXXQKYVMDCGJQ-UHFFFAOYSA-N -1 1 260.282 1.819 20 0 CDADMM ClC(Cl)=CCNc1cc(-c2nnn[n-]2)ncn1 ZINC001592523490 1173911025 /nfs/dbraw/zinc/91/10/25/1173911025.db2.gz DCXBBWSAWRRQNJ-UHFFFAOYSA-N -1 1 272.099 1.388 20 0 CDADMM ClC(Cl)=CCNc1cc(-c2nn[n-]n2)ncn1 ZINC001592523490 1173911028 /nfs/dbraw/zinc/91/10/28/1173911028.db2.gz DCXBBWSAWRRQNJ-UHFFFAOYSA-N -1 1 272.099 1.388 20 0 CDADMM F[C@@]1(c2ccccc2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001592631504 1173941530 /nfs/dbraw/zinc/94/15/30/1173941530.db2.gz SMAMNTYPOCIAMS-IINYFYTJSA-N -1 1 297.297 1.128 20 0 CDADMM Fc1cc(Cl)c(Oc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001592639152 1173946591 /nfs/dbraw/zinc/94/65/91/1173946591.db2.gz SFXDHCKGXSPSMV-UHFFFAOYSA-N -1 1 293.649 1.637 20 0 CDADMM Fc1cc(Cl)c(Oc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001592639152 1173946598 /nfs/dbraw/zinc/94/65/98/1173946598.db2.gz SFXDHCKGXSPSMV-UHFFFAOYSA-N -1 1 293.649 1.637 20 0 CDADMM Fc1cccc2c1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001592658874 1173957988 /nfs/dbraw/zinc/95/79/88/1173957988.db2.gz XUDOGJMPRVMPSN-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM Fc1cccc2c1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001592658874 1173957994 /nfs/dbraw/zinc/95/79/94/1173957994.db2.gz XUDOGJMPRVMPSN-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM Fc1cccc2c1CC[C@@H]2Nc1ccnc(-c2nn[n-]n2)n1 ZINC001592660441 1173959010 /nfs/dbraw/zinc/95/90/10/1173959010.db2.gz APCPMRLAEJBPPF-NSHDSACASA-N -1 1 297.297 1.317 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C=CC1CCCC1 ZINC001592754095 1173985217 /nfs/dbraw/zinc/98/52/17/1173985217.db2.gz LZCANUIOWVPXOI-AATRIKPKSA-N -1 1 273.300 1.032 20 0 CDADMM O=C(CCCF)OCc1nc(-c2nnn[n-]2)cs1 ZINC001592836605 1173997317 /nfs/dbraw/zinc/99/73/17/1173997317.db2.gz YZSBFRHROQFZQY-UHFFFAOYSA-N -1 1 271.277 1.116 20 0 CDADMM O=C(CCCF)OCc1nc(-c2nn[n-]n2)cs1 ZINC001592836605 1173997321 /nfs/dbraw/zinc/99/73/21/1173997321.db2.gz YZSBFRHROQFZQY-UHFFFAOYSA-N -1 1 271.277 1.116 20 0 CDADMM O=C(Nc1ccc(F)nc1)c1coc(-c2nnn[n-]2)c1 ZINC001593234751 1174036562 /nfs/dbraw/zinc/03/65/62/1174036562.db2.gz OWZWOISPQBEJCE-UHFFFAOYSA-N -1 1 274.215 1.246 20 0 CDADMM O=C(Nc1ccc(F)nc1)c1coc(-c2nn[n-]n2)c1 ZINC001593234751 1174036570 /nfs/dbraw/zinc/03/65/70/1174036570.db2.gz OWZWOISPQBEJCE-UHFFFAOYSA-N -1 1 274.215 1.246 20 0 CDADMM O=C(OC[C@@H]1CCCCO1)c1csc(-c2nnn[n-]2)c1 ZINC001593284410 1174051239 /nfs/dbraw/zinc/05/12/39/1174051239.db2.gz NTYNQRDBWYFEJN-VIFPVBQESA-N -1 1 294.336 1.654 20 0 CDADMM O=C(OC[C@@H]1CCCCO1)c1csc(-c2nn[n-]n2)c1 ZINC001593284410 1174051247 /nfs/dbraw/zinc/05/12/47/1174051247.db2.gz NTYNQRDBWYFEJN-VIFPVBQESA-N -1 1 294.336 1.654 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1ncccc1Cl ZINC001593496172 1174086982 /nfs/dbraw/zinc/08/69/82/1174086982.db2.gz CIAMNTIEYKDUIS-UHFFFAOYSA-N -1 1 288.698 1.125 20 0 CDADMM O[C@@H](COc1cccnc1-c1nnn[n-]1)c1ccccc1 ZINC001593511903 1174096991 /nfs/dbraw/zinc/09/69/91/1174096991.db2.gz LYJUSWSKOBPDTI-NSHDSACASA-N -1 1 283.291 1.374 20 0 CDADMM O[C@@H](COc1cccnc1-c1nn[n-]n1)c1ccccc1 ZINC001593511903 1174096999 /nfs/dbraw/zinc/09/69/99/1174096999.db2.gz LYJUSWSKOBPDTI-NSHDSACASA-N -1 1 283.291 1.374 20 0 CDADMM OCCCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001593530965 1174105247 /nfs/dbraw/zinc/10/52/47/1174105247.db2.gz AMDLCVPTFVMVKB-UHFFFAOYSA-N -1 1 284.323 1.599 20 0 CDADMM OCCCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001593530965 1174105251 /nfs/dbraw/zinc/10/52/51/1174105251.db2.gz AMDLCVPTFVMVKB-UHFFFAOYSA-N -1 1 284.323 1.599 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NCCC[C@@H]1CCCCO1 ZINC001593552118 1174127368 /nfs/dbraw/zinc/12/73/68/1174127368.db2.gz VRIXOQSAGYOBLP-JTQLQIEISA-N -1 1 289.343 1.418 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NCCC[C@@H]1CCCCO1 ZINC001593552118 1174127370 /nfs/dbraw/zinc/12/73/70/1174127370.db2.gz VRIXOQSAGYOBLP-JTQLQIEISA-N -1 1 289.343 1.418 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NCCCC1CCOCC1 ZINC001593552290 1174127646 /nfs/dbraw/zinc/12/76/46/1174127646.db2.gz ZCYPDZRTBSYLDU-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NCCCC1CCOCC1 ZINC001593552290 1174127651 /nfs/dbraw/zinc/12/76/51/1174127651.db2.gz ZCYPDZRTBSYLDU-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM c1cc(NCC[C@H]2CCSC2)cc(-c2nnn[n-]2)n1 ZINC001593561552 1174138236 /nfs/dbraw/zinc/13/82/36/1174138236.db2.gz YOBPKLJVHDYPQV-VIFPVBQESA-N -1 1 276.369 1.817 20 0 CDADMM c1cc(NCC[C@H]2CCSC2)cc(-c2nn[n-]n2)n1 ZINC001593561552 1174138239 /nfs/dbraw/zinc/13/82/39/1174138239.db2.gz YOBPKLJVHDYPQV-VIFPVBQESA-N -1 1 276.369 1.817 20 0 CDADMM c1cc2c(c(Oc3ccc(-c4nnn[n-]4)nn3)c1)OCCC2 ZINC001593566179 1174140633 /nfs/dbraw/zinc/14/06/33/1174140633.db2.gz JMPFXXQIMVSVFF-UHFFFAOYSA-N -1 1 296.290 1.774 20 0 CDADMM c1cc2c(c(Oc3ccc(-c4nn[n-]n4)nn3)c1)OCCC2 ZINC001593566179 1174140639 /nfs/dbraw/zinc/14/06/39/1174140639.db2.gz JMPFXXQIMVSVFF-UHFFFAOYSA-N -1 1 296.290 1.774 20 0 CDADMM c1cc2c(cn1)CN(c1ccnc(-c3nnn[n-]3)c1)C2 ZINC001593565743 1174140649 /nfs/dbraw/zinc/14/06/49/1174140649.db2.gz VVIIVFGXHGYVIH-UHFFFAOYSA-N -1 1 265.280 1.177 20 0 CDADMM c1cc2c(cn1)CN(c1ccnc(-c3nn[n-]n3)c1)C2 ZINC001593565743 1174140654 /nfs/dbraw/zinc/14/06/54/1174140654.db2.gz VVIIVFGXHGYVIH-UHFFFAOYSA-N -1 1 265.280 1.177 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OC[C@H]2CC[C@H](C3CC3)O2)c1 ZINC001593583598 1174151601 /nfs/dbraw/zinc/15/16/01/1174151601.db2.gz AKABQQUPQGFJDV-GHMZBOCLSA-N -1 1 287.323 1.598 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OC[C@H]2CC[C@H](C3CC3)O2)c1 ZINC001593583598 1174151608 /nfs/dbraw/zinc/15/16/08/1174151608.db2.gz AKABQQUPQGFJDV-GHMZBOCLSA-N -1 1 287.323 1.598 20 0 CDADMM c1nc(NC(C2CC2)C2CC2)cc(-c2nnn[n-]2)n1 ZINC001593590669 1174157887 /nfs/dbraw/zinc/15/78/87/1174157887.db2.gz BOFTVNMGEHNTFX-UHFFFAOYSA-N -1 1 257.301 1.257 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CCC[C@@H]3CCCC[C@@H]32)n1 ZINC001593590265 1174158308 /nfs/dbraw/zinc/15/83/08/1174158308.db2.gz MKXUYTGXNJXLOQ-JQWIXIFHSA-N -1 1 285.355 1.816 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CCC[C@@H]3CCCC[C@@H]32)n1 ZINC001593590265 1174158310 /nfs/dbraw/zinc/15/83/10/1174158310.db2.gz MKXUYTGXNJXLOQ-JQWIXIFHSA-N -1 1 285.355 1.816 20 0 CDADMM c1nc(NCC2(C3CC3)CC2)cc(-c2nnn[n-]2)n1 ZINC001593591934 1174159856 /nfs/dbraw/zinc/15/98/56/1174159856.db2.gz WIDXDKIIVHLPHI-UHFFFAOYSA-N -1 1 257.301 1.259 20 0 CDADMM c1nc(NCC2(C3CC3)CC2)cc(-c2nn[n-]n2)n1 ZINC001593591934 1174159862 /nfs/dbraw/zinc/15/98/62/1174159862.db2.gz WIDXDKIIVHLPHI-UHFFFAOYSA-N -1 1 257.301 1.259 20 0 CDADMM c1nc(NC[C@@H]2CCCC23CC3)cc(-c2nnn[n-]2)n1 ZINC001593591705 1174160301 /nfs/dbraw/zinc/16/03/01/1174160301.db2.gz UZUZZTLYMIRZBG-VIFPVBQESA-N -1 1 271.328 1.649 20 0 CDADMM c1nc(NCC23CCC(CC2)C3)cc(-c2nnn[n-]2)n1 ZINC001593591655 1174160947 /nfs/dbraw/zinc/16/09/47/1174160947.db2.gz SSQVAHFZDCPSNG-UHFFFAOYSA-N -1 1 271.328 1.649 20 0 CDADMM c1nc(NCC23CCC(CC2)C3)cc(-c2nn[n-]n2)n1 ZINC001593591655 1174160952 /nfs/dbraw/zinc/16/09/52/1174160952.db2.gz SSQVAHFZDCPSNG-UHFFFAOYSA-N -1 1 271.328 1.649 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001593594848 1174165388 /nfs/dbraw/zinc/16/53/88/1174165388.db2.gz IPCVAUUXMQGKSQ-DJLDLDEBSA-N -1 1 257.301 1.257 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001593594848 1174165393 /nfs/dbraw/zinc/16/53/93/1174165393.db2.gz IPCVAUUXMQGKSQ-DJLDLDEBSA-N -1 1 257.301 1.257 20 0 CDADMM Cc1ccc(CN2CCN3CCOC[C@H]3C2)cc1C(=O)[O-] ZINC001600414389 1174468912 /nfs/dbraw/zinc/46/89/12/1174468912.db2.gz OTWHLXUFAJLPRF-CQSZACIVSA-N -1 1 290.363 1.210 20 0 CDADMM Cc1cccc([C@@H](O)CN(C)[C@H](COC(C)C)C(=O)[O-])c1 ZINC001600518469 1174493877 /nfs/dbraw/zinc/49/38/77/1174493877.db2.gz CXEGJHHNUPYSFU-CABCVRRESA-N -1 1 295.379 1.838 20 0 CDADMM Cc1ccccc1[C@@H](C(=O)[O-])N1CC[C@H](S(C)(=O)=O)C1 ZINC001600567157 1174508074 /nfs/dbraw/zinc/50/80/74/1174508074.db2.gz LRDXVYKYFCYXOX-AAEUAGOBSA-N -1 1 297.376 1.240 20 0 CDADMM Cc1nc([C@H]2CCN(Cc3cc(C(=O)[O-])c(C)o3)C2)no1 ZINC001600697094 1174568443 /nfs/dbraw/zinc/56/84/43/1174568443.db2.gz PTSSHUUKEQWOHA-JTQLQIEISA-N -1 1 291.307 1.967 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(Cc2ccccc2)c1C ZINC000103634977 1174684043 /nfs/dbraw/zinc/68/40/43/1174684043.db2.gz BUNIUIFCPQKCHY-UHFFFAOYSA-N -1 1 254.297 1.728 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2ccccc2)c1C ZINC000103634977 1174684046 /nfs/dbraw/zinc/68/40/46/1174684046.db2.gz BUNIUIFCPQKCHY-UHFFFAOYSA-N -1 1 254.297 1.728 20 0 CDADMM Nc1cc(N)nc(S[C@@H](C(=O)[O-])c2ccc(F)cc2)n1 ZINC001601214375 1174792508 /nfs/dbraw/zinc/79/25/08/1174792508.db2.gz XAGQAQJNXZPZPR-SNVBAGLBSA-N -1 1 294.311 1.698 20 0 CDADMM Nc1cccc(CN2CCc3[nH]nc(C(=O)[O-])c3C2)c1 ZINC001601218694 1174795644 /nfs/dbraw/zinc/79/56/44/1174795644.db2.gz XNDCHXMBEUPXNH-UHFFFAOYSA-N -1 1 272.308 1.248 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](O)CN1C[C@H]1CC[C@H](c2ccccc2)O1 ZINC001601774692 1175001306 /nfs/dbraw/zinc/00/13/06/1175001306.db2.gz ZIHQQEWABKFGLC-LJISPDSOSA-N -1 1 291.347 1.427 20 0 CDADMM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CN(CC2CC3(CCC3)C2)C1 ZINC001601781316 1175004516 /nfs/dbraw/zinc/00/45/16/1175004516.db2.gz RLRJZWIBEXPDPT-CHWSQXEVSA-N -1 1 292.379 1.088 20 0 CDADMM O=C([O-])[C@H]1CCC[C@H]1NCc1nnc(C2CC2)o1 ZINC001601807095 1175015864 /nfs/dbraw/zinc/01/58/64/1175015864.db2.gz DMCPVIMIJMJCIM-DTWKUNHWSA-N -1 1 251.286 1.290 20 0 CDADMM O=C([O-])[C@H]1CCCC[C@H]1C[N@@H+]1CCC[C@H]1c1nnc[n-]1 ZINC001601812661 1175019262 /nfs/dbraw/zinc/01/92/62/1175019262.db2.gz IGZQOJYIQCMOQL-SRVKXCTJSA-N -1 1 278.356 1.833 20 0 CDADMM O=C([O-])[C@H]1CCCC[C@H]1C[N@H+]1CCC[C@H]1c1nnc[n-]1 ZINC001601812661 1175019267 /nfs/dbraw/zinc/01/92/67/1175019267.db2.gz IGZQOJYIQCMOQL-SRVKXCTJSA-N -1 1 278.356 1.833 20 0 CDADMM O=C([O-])[C@H](c1ccsc1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC001601826953 1175025725 /nfs/dbraw/zinc/02/57/25/1175025725.db2.gz OWHWCKAZZHVICD-APPZFPTMSA-N -1 1 255.295 1.280 20 0 CDADMM O=C([O-])C[C@]1(NCc2ccnc(Cl)c2F)CCOC1 ZINC001601935953 1175074072 /nfs/dbraw/zinc/07/40/72/1175074072.db2.gz JBUOIZNXPDFNAJ-GFCCVEGCSA-N -1 1 288.706 1.598 20 0 CDADMM O=C([O-])Cn1cc(CN[C@@H]2C[C@@H]2C2CCCCC2)nn1 ZINC001602161921 1175147256 /nfs/dbraw/zinc/14/72/56/1175147256.db2.gz MWLUXLBMQCLZOW-CHWSQXEVSA-N -1 1 278.356 1.421 20 0 CDADMM O=C([O-])[C@@H]1CN(CN2CC[C@H]3CCCC[C@@H]3C2)C(=O)O1 ZINC001602187766 1175156789 /nfs/dbraw/zinc/15/67/89/1175156789.db2.gz HMESJOMVKKTJRU-UTUOFQBUSA-N -1 1 282.340 1.361 20 0 CDADMM O=C([O-])c1ccc(C(=O)N2CC[C@@H](N3CCC3)C2)c(F)c1 ZINC001602317393 1175200582 /nfs/dbraw/zinc/20/05/82/1175200582.db2.gz ZCADQZJHHKAZMZ-LLVKDONJSA-N -1 1 292.310 1.444 20 0 CDADMM O=C([O-])c1ccoc1CN1CC[C@H](N2CCOC2=O)C1 ZINC001602485603 1175257754 /nfs/dbraw/zinc/25/77/54/1175257754.db2.gz OWPZFPHRIOOHQG-VIFPVBQESA-N -1 1 280.280 1.004 20 0 CDADMM O=C([O-])c1ncn(CN2CCCC[C@H]2CC2CCC2)n1 ZINC001602580480 1175306348 /nfs/dbraw/zinc/30/63/48/1175306348.db2.gz YBWFQOQIHBFIJX-LBPRGKRZSA-N -1 1 278.356 1.979 20 0 CDADMM O=C([O-])c1occc1CNC(=O)C(F)(F)C(F)F ZINC001602590843 1175313080 /nfs/dbraw/zinc/31/30/80/1175313080.db2.gz KJQIARVNNYUUIG-UHFFFAOYSA-N -1 1 269.150 1.494 20 0 CDADMM O=C([O-])c1sccc1CNCCS(=O)(=O)C1CC1 ZINC001602595001 1175314349 /nfs/dbraw/zinc/31/43/49/1175314349.db2.gz GEHNQCYHOWXKNS-UHFFFAOYSA-N -1 1 289.378 1.113 20 0 CDADMM C/C(=C(\F)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])C1CC1 ZINC001602950011 1175456296 /nfs/dbraw/zinc/45/62/96/1175456296.db2.gz ZPELIGAHTHPJTG-VUBLIPMDSA-N -1 1 281.287 1.175 20 0 CDADMM CC(C)(C)OCCOc1ccc(F)nc1-c1nn[nH]n1 ZINC001603102455 1175492061 /nfs/dbraw/zinc/49/20/61/1175492061.db2.gz NJDNRNFZZLXKPY-UHFFFAOYSA-N -1 1 281.291 1.595 20 0 CDADMM CC(C)(C)OCCOc1ccc(F)nc1-c1nn[n-]n1 ZINC001603102455 1175492063 /nfs/dbraw/zinc/49/20/63/1175492063.db2.gz NJDNRNFZZLXKPY-UHFFFAOYSA-N -1 1 281.291 1.595 20 0 CDADMM CC(C)(CNc1cccc(-c2nnn[n-]2)n1)n1cccn1 ZINC001603150964 1175502226 /nfs/dbraw/zinc/50/22/26/1175502226.db2.gz AJINFAXHXASNEQ-UHFFFAOYSA-N -1 1 284.327 1.305 20 0 CDADMM CC(C)(CNc1cccc(-c2nn[n-]n2)n1)n1cccn1 ZINC001603150964 1175502230 /nfs/dbraw/zinc/50/22/30/1175502230.db2.gz AJINFAXHXASNEQ-UHFFFAOYSA-N -1 1 284.327 1.305 20 0 CDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001603238707 1175522521 /nfs/dbraw/zinc/52/25/21/1175522521.db2.gz SYUZHZZNUNOFKQ-TVQRCGJNSA-N -1 1 289.343 1.221 20 0 CDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001603238707 1175522523 /nfs/dbraw/zinc/52/25/23/1175522523.db2.gz SYUZHZZNUNOFKQ-TVQRCGJNSA-N -1 1 289.343 1.221 20 0 CDADMM CC(C)CCCNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603279764 1175530324 /nfs/dbraw/zinc/53/03/24/1175530324.db2.gz WNDLKOASXKFFDN-UHFFFAOYSA-N -1 1 289.343 1.819 20 0 CDADMM CC(C)CCCNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603279764 1175530328 /nfs/dbraw/zinc/53/03/28/1175530328.db2.gz WNDLKOASXKFFDN-UHFFFAOYSA-N -1 1 289.343 1.819 20 0 CDADMM CC(C)(C)CCNC(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC001603333092 1175541280 /nfs/dbraw/zinc/54/12/80/1175541280.db2.gz FRRDHARDYOMWRH-CQSZACIVSA-N -1 1 270.373 1.382 20 0 CDADMM C[C@H](CC1CCC1)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603463387 1175555829 /nfs/dbraw/zinc/55/58/29/1175555829.db2.gz JEVUWNYDKIOMCR-MRVPVSSYSA-N -1 1 275.312 1.768 20 0 CDADMM C[C@H](CC1CCC1)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001603463387 1175555836 /nfs/dbraw/zinc/55/58/36/1175555836.db2.gz JEVUWNYDKIOMCR-MRVPVSSYSA-N -1 1 275.312 1.768 20 0 CDADMM CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])NC(=O)C(F)(F)F ZINC001603497795 1175559374 /nfs/dbraw/zinc/55/93/74/1175559374.db2.gz RNYMYENGCKIOOF-LURJTMIESA-N -1 1 299.245 1.240 20 0 CDADMM CC(C)(C)n1cc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)nn1 ZINC001603567636 1175567934 /nfs/dbraw/zinc/56/79/34/1175567934.db2.gz NSABGRSBKDKDFB-LBPRGKRZSA-N -1 1 292.383 1.720 20 0 CDADMM C[C@H](Cc1ccncc1)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603584402 1175572902 /nfs/dbraw/zinc/57/29/02/1175572902.db2.gz AVYJUPPPTLXCMV-SECBINFHSA-N -1 1 298.306 1.216 20 0 CDADMM C[C@H](Cc1ccncc1)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603584402 1175572906 /nfs/dbraw/zinc/57/29/06/1175572906.db2.gz AVYJUPPPTLXCMV-SECBINFHSA-N -1 1 298.306 1.216 20 0 CDADMM CCCN(CC(=O)[O-])C(=O)c1cccc(F)c1O ZINC001603661688 1175590153 /nfs/dbraw/zinc/59/01/53/1175590153.db2.gz DTYNMLVLIUZCOY-UHFFFAOYSA-N -1 1 255.245 1.468 20 0 CDADMM C[C@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)C(C)(C)O ZINC001603684936 1175596888 /nfs/dbraw/zinc/59/68/88/1175596888.db2.gz BXXJKOLPTHYEDG-BYPYZUCNSA-N -1 1 288.764 1.548 20 0 CDADMM C[C@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)C(C)(C)O ZINC001603684936 1175596894 /nfs/dbraw/zinc/59/68/94/1175596894.db2.gz BXXJKOLPTHYEDG-BYPYZUCNSA-N -1 1 288.764 1.548 20 0 CDADMM CC(C)(O)CN1CCN([C@H](C(=O)[O-])c2ccsc2)CC1 ZINC001603690644 1175599256 /nfs/dbraw/zinc/59/92/56/1175599256.db2.gz AFSYJRBMTCSAAY-LBPRGKRZSA-N -1 1 298.408 1.262 20 0 CDADMM CC1(C)C[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)o2)CO1 ZINC001603764932 1175622445 /nfs/dbraw/zinc/62/24/45/1175622445.db2.gz KVSOUGSNHLJITR-SSDOTTSWSA-N -1 1 278.268 1.184 20 0 CDADMM CC1(C)CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001603774335 1175627170 /nfs/dbraw/zinc/62/71/70/1175627170.db2.gz OLIUWIQEUBNNSD-JTQLQIEISA-N -1 1 287.371 1.707 20 0 CDADMM CC(C)CC[C@@H](CO)NCc1cc(C(=O)[O-])no1 ZINC001603789440 1175632443 /nfs/dbraw/zinc/63/24/43/1175632443.db2.gz QAVLHPCFSNQVRE-VIFPVBQESA-N -1 1 256.302 1.260 20 0 CDADMM C[C@@H]1C[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)o2)[C@@H](C)O1 ZINC001603850025 1175653810 /nfs/dbraw/zinc/65/38/10/1175653810.db2.gz BFKSUPIYWIASRK-HLTSFMKQSA-N -1 1 291.311 1.003 20 0 CDADMM C[C@@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)o2)[C@@H](C)O1 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CC[C@H](CCO)Nc1snc(C)c1-c1nn[n-]n1 ZINC001604029573 1175725603 /nfs/dbraw/zinc/72/56/03/1175725603.db2.gz ITQWYXDBYQNDSJ-SSDOTTSWSA-N -1 1 268.346 1.205 20 0 CDADMM CC[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)[C@@H]1CCCO1 ZINC001604051341 1175735071 /nfs/dbraw/zinc/73/50/71/1175735071.db2.gz QSLZQZWKRKKGHK-ZJUUUORDSA-N -1 1 291.311 1.147 20 0 CDADMM CC[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC001604051341 1175735074 /nfs/dbraw/zinc/73/50/74/1175735074.db2.gz QSLZQZWKRKKGHK-ZJUUUORDSA-N -1 1 291.311 1.147 20 0 CDADMM C[C@@H](/C=C\C(=O)[O-])NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001604058648 1175739270 /nfs/dbraw/zinc/73/92/70/1175739270.db2.gz FJYLJOCHINNNNQ-HKQQGCEUSA-N -1 1 286.291 1.231 20 0 CDADMM C[C@H](CC(=O)[O-])C(=O)N1CCc2nc[nH]c2C12CCC2 ZINC001604094145 1175755868 /nfs/dbraw/zinc/75/58/68/1175755868.db2.gz JMRWXMOJXIZKJF-SECBINFHSA-N -1 1 277.324 1.284 20 0 CDADMM CC[C@@H]1[C@@H](C)CCN1Cn1cccc(-c2nnn[n-]2)c1=O ZINC001604096364 1175758383 /nfs/dbraw/zinc/75/83/83/1175758383.db2.gz 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985323077 /nfs/dbraw/zinc/32/30/77/985323077.db2.gz OXYQSGCZMCSRBA-NHYWBVRUSA-N -1 1 292.383 1.547 20 0 CDADMM C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])CCN1 ZINC001594480119 985520827 /nfs/dbraw/zinc/52/08/27/985520827.db2.gz NRAXXKAHZCFOAW-MRVPVSSYSA-N -1 1 297.742 1.864 20 0 CDADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN[C@H]1CCOC1(C)C ZINC001599960571 985774064 /nfs/dbraw/zinc/77/40/64/985774064.db2.gz LMWNHWWWKGYRRS-LBPRGKRZSA-N -1 1 280.324 1.361 20 0 CDADMM Cc1nc[nH]c1C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001599967282 985929272 /nfs/dbraw/zinc/92/92/72/985929272.db2.gz BLXWSQXMKAFBHJ-UHFFFAOYSA-N -1 1 271.276 1.619 20 0 CDADMM Cc1c(C(=O)NC2(C(=O)[O-])CCC2)ccc2cncn21 ZINC001599980160 986152072 /nfs/dbraw/zinc/15/20/72/986152072.db2.gz KJVCRZPTTPGVAA-UHFFFAOYSA-N -1 1 273.292 1.380 20 0 CDADMM C[C@@H](C(=O)NCC(=O)[O-])N1CC=C(C(C)(C)C)CC1 ZINC001589396957 986529863 /nfs/dbraw/zinc/52/98/63/986529863.db2.gz NPAOWTGMOPYGSU-JTQLQIEISA-N -1 1 268.357 1.254 20 0 CDADMM CCOc1cncc(CN2CCC([C@H](O)C(=O)[O-])CC2)c1 ZINC001597188738 987062122 /nfs/dbraw/zinc/06/21/22/987062122.db2.gz AYECBTCOJWKMJV-AWEZNQCLSA-N -1 1 294.351 1.138 20 0 CDADMM C[C@H](C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1)C(C)(C)C ZINC001604769836 1163317754 /nfs/dbraw/zinc/31/77/54/1163317754.db2.gz SHTCVDDSSOZOGR-VXGBXAGGSA-N -1 1 284.400 1.676 20 0 CDADMM C[C@H]1CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CCN1 ZINC001604776804 1163319897 /nfs/dbraw/zinc/31/98/97/1163319897.db2.gz JMSRKNXCXCZBPO-ZETCQYMHSA-N -1 1 299.277 1.489 20 0 CDADMM CSCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001599797100 988114916 /nfs/dbraw/zinc/11/49/16/988114916.db2.gz BRLUJIGEGWVEEG-JTQLQIEISA-N -1 1 285.369 1.055 20 0 CDADMM C[C@@H]1OCC[C@]12CN(Cc1c[nH]c(C(=O)[O-])c1)C[C@@H](C)O2 ZINC001604797141 1163327756 /nfs/dbraw/zinc/32/77/56/1163327756.db2.gz IESDJXHSBSVGGT-ZETOZRRWSA-N -1 1 294.351 1.481 20 0 CDADMM CC(C)(C)N1CC[C@@H]1C(=O)NC1(C(=O)[O-])CCCC1 ZINC001589815170 988250306 /nfs/dbraw/zinc/25/03/06/988250306.db2.gz 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/nfs/dbraw/zinc/22/73/78/990227378.db2.gz WACHBMQBLDCJDG-PHIMTYICSA-N -1 1 274.320 1.299 20 0 CDADMM CC(C)(NC(=O)[C@@H](N)Cc1cc2ccccc2o1)C(=O)[O-] ZINC001590840134 990704808 /nfs/dbraw/zinc/70/48/08/990704808.db2.gz JYNUKTAOZBTBKV-NSHDSACASA-N -1 1 290.319 1.282 20 0 CDADMM CN(C)C1CN(C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC001598193324 990794356 /nfs/dbraw/zinc/79/43/56/990794356.db2.gz CGXYSXVCYDNNMB-UHFFFAOYSA-N -1 1 269.326 1.224 20 0 CDADMM CN(C)C1CN(C(=O)CCc2ccccc2C(=O)[O-])C1 ZINC001598194090 990798529 /nfs/dbraw/zinc/79/85/29/990798529.db2.gz SOPJZKOVCZDBFV-UHFFFAOYSA-N -1 1 276.336 1.090 20 0 CDADMM CN(C)CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001598196399 990801417 /nfs/dbraw/zinc/80/14/17/990801417.db2.gz FXBRYISNTDBXCU-GFCCVEGCSA-N -1 1 293.367 1.339 20 0 CDADMM CN(C)Cc1ccc(C(=O)N[C@H](CC(=O)[O-])C2CC2)cn1 ZINC001598248951 991026760 /nfs/dbraw/zinc/02/67/60/991026760.db2.gz ROPIMZNAMQZIKY-CYBMUJFWSA-N -1 1 291.351 1.126 20 0 CDADMM CN(CCCc1ccccc1)Cn1cc(C(=O)[O-])nn1 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C[C@H](NCc1cc(C(=O)[O-])co1)c1cc[nH]c(=O)c1 ZINC001593289915 994667511 /nfs/dbraw/zinc/66/75/11/994667511.db2.gz YCYKZLJYRONNOV-QMMMGPOBSA-N -1 1 262.265 1.929 20 0 CDADMM CO[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)oc2C)C1 ZINC001605030888 1163425012 /nfs/dbraw/zinc/42/50/12/1163425012.db2.gz QMSNFSBKWQOMSD-VIFPVBQESA-N -1 1 291.311 1.019 20 0 CDADMM CO[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)oc2C)C1 ZINC001605030888 1163425015 /nfs/dbraw/zinc/42/50/15/1163425015.db2.gz QMSNFSBKWQOMSD-VIFPVBQESA-N -1 1 291.311 1.019 20 0 CDADMM COC(=O)[C@@H]1C[C@@H]1[C@H](C)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001598767923 995854069 /nfs/dbraw/zinc/85/40/69/995854069.db2.gz ZDWFHNOIVMUTLS-JQCXWYLXSA-N -1 1 298.364 1.690 20 0 CDADMM CC[C@@H](Cn1cncn1)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001605064153 1163438501 /nfs/dbraw/zinc/43/85/01/1163438501.db2.gz YYICKGUWYZFNAF-BDAKNGLRSA-N -1 1 295.368 1.562 20 0 CDADMM C[C@H](c1ccccc1)N(CC(=O)NCCC(=O)[O-])C1CC1 ZINC001593711751 996214172 /nfs/dbraw/zinc/21/41/72/996214172.db2.gz 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1.603 20 0 CDADMM C[C@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)[C@H]1C ZINC001590308217 1173343746 /nfs/dbraw/zinc/34/37/46/1173343746.db2.gz FZNILOPLVKRZTI-BQBZGAKWSA-N -1 1 250.331 1.163 20 0 CDADMM C[C@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)[C@H]1C ZINC001590308217 1173343752 /nfs/dbraw/zinc/34/37/52/1173343752.db2.gz FZNILOPLVKRZTI-BQBZGAKWSA-N -1 1 250.331 1.163 20 0 CDADMM CCC(C)(C)CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590375655 1173379983 /nfs/dbraw/zinc/37/99/83/1173379983.db2.gz PAUXDUHIOXNYKV-UHFFFAOYSA-N -1 1 274.328 1.428 20 0 CDADMM CCC(C)(C)CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590375655 1173379987 /nfs/dbraw/zinc/37/99/87/1173379987.db2.gz PAUXDUHIOXNYKV-UHFFFAOYSA-N -1 1 274.328 1.428 20 0 CDADMM CC[C@H](C)[C@](C)(O)CNc1nc(-c2nn[n-]n2)ccc1C ZINC001590395784 1173386001 /nfs/dbraw/zinc/38/60/01/1173386001.db2.gz DJNRUWURIRDYGN-IINYFYTJSA-N -1 1 290.371 1.779 20 0 CDADMM CC[C@@H](C)CN(CC)c1cnc(-c2nnn[n-]2)cn1 ZINC001590408597 1173395368 /nfs/dbraw/zinc/39/53/68/1173395368.db2.gz CRDCHLJJVYPANW-SECBINFHSA-N -1 1 261.333 1.529 20 0 CDADMM CC[C@@H](C)CN(CC)c1cnc(-c2nn[n-]n2)cn1 ZINC001590408597 1173395373 /nfs/dbraw/zinc/39/53/73/1173395373.db2.gz CRDCHLJJVYPANW-SECBINFHSA-N -1 1 261.333 1.529 20 0 CDADMM C[C@@H]1CN(Cc2nc(=O)[n-][nH]2)c2cc(Cl)ccc2O1 ZINC000271582854 277907874 /nfs/dbraw/zinc/90/78/74/277907874.db2.gz CPAMOAFYKMEPRH-SSDOTTSWSA-N -1 1 280.715 1.539 20 0 CDADMM CC[C@H](C)CCNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590411338 1173398220 /nfs/dbraw/zinc/39/82/20/1173398220.db2.gz VJZHEPGSVXXCLI-VIFPVBQESA-N -1 1 289.343 1.819 20 0 CDADMM CC[C@H](C)CCNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590411338 1173398223 /nfs/dbraw/zinc/39/82/23/1173398223.db2.gz VJZHEPGSVXXCLI-VIFPVBQESA-N -1 1 289.343 1.819 20 0 CDADMM C[C@@H]1Sc2ccccc2N(Cc2nc(=O)n(C)[n-]2)[C@H]1C ZINC000335143954 278074107 /nfs/dbraw/zinc/07/41/07/278074107.db2.gz UOHNOCRNBWUNOW-UWVGGRQHSA-N -1 1 290.392 1.998 20 0 CDADMM C[C@@H](CN(C)C(=O)C1Cc2ccccc2C1)c1nn[n-]n1 ZINC000278244778 278237469 /nfs/dbraw/zinc/23/74/69/278237469.db2.gz ZNRKLODYGNDXBF-JTQLQIEISA-N -1 1 285.351 1.177 20 0 CDADMM CC1(C)CCC[C@H](C(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC000363440778 278238498 /nfs/dbraw/zinc/23/84/98/278238498.db2.gz AVJDIYUGXISTMJ-QWRGUYRKSA-N -1 1 293.371 1.316 20 0 CDADMM CC1(C)[C@@H](O)C[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000188131854 278430293 /nfs/dbraw/zinc/43/02/93/278430293.db2.gz WSZWPDHQGNGTBK-UWVGGRQHSA-N -1 1 291.319 1.403 20 0 CDADMM CC(C)C[C@@H](NC(=O)c1cnccc1N(C)C)C(=O)[O-] ZINC000263561283 279000902 /nfs/dbraw/zinc/00/09/02/279000902.db2.gz BZTAGNLDPICCSM-LLVKDONJSA-N -1 1 279.340 1.377 20 0 CDADMM O=S(=O)([N-]C[C@@H]1CCCO1)c1cc2ccccc2o1 ZINC000084935569 279248978 /nfs/dbraw/zinc/24/89/78/279248978.db2.gz NDAWJJCTICQPKE-NSHDSACASA-N -1 1 281.333 1.890 20 0 CDADMM CC[C@H](c1ccccc1OC)N(C)Cc1nc(=O)n(C)[n-]1 ZINC000347538237 288169260 /nfs/dbraw/zinc/16/92/60/288169260.db2.gz KXBOVQYWLPWIOH-GFCCVEGCSA-N -1 1 290.367 1.700 20 0 CDADMM CC1(C)CN(C(=O)c2c(F)ccc([O-])c2F)CC[C@H]1O ZINC000336447417 281217405 /nfs/dbraw/zinc/21/74/05/281217405.db2.gz JVEZTVPAHQSBDL-SNVBAGLBSA-N -1 1 285.290 1.903 20 0 CDADMM CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531008629 281654362 /nfs/dbraw/zinc/65/43/62/281654362.db2.gz WORTYUZXXVLNJN-VIFPVBQESA-N -1 1 296.348 1.236 20 0 CDADMM C[C@H](NC(=O)CNC1(C(=O)[O-])CCCC1)c1ccccc1 ZINC000532881139 282059873 /nfs/dbraw/zinc/05/98/73/282059873.db2.gz IUMWDNUCLVTZOA-LBPRGKRZSA-N -1 1 290.363 1.851 20 0 CDADMM C[C@@]1(CO)CCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC000132005002 289176972 /nfs/dbraw/zinc/17/69/72/289176972.db2.gz LCIUJZNEWDAMLZ-GWCFXTLKSA-N -1 1 250.298 1.068 20 0 CDADMM Cc1cc(C(=O)Nc2nnn[n-]2)c(C)cc1Br ZINC000153761799 289180809 /nfs/dbraw/zinc/18/08/09/289180809.db2.gz ISQCYRLXKHHSLQ-UHFFFAOYSA-N -1 1 296.128 1.831 20 0 CDADMM Cc1cc(C(=O)Nc2nn[n-]n2)c(C)cc1Br ZINC000153761799 289180811 /nfs/dbraw/zinc/18/08/11/289180811.db2.gz ISQCYRLXKHHSLQ-UHFFFAOYSA-N -1 1 296.128 1.831 20 0 CDADMM CC[C@@H]1CCC[C@H]1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590508164 1173444230 /nfs/dbraw/zinc/44/42/30/1173444230.db2.gz MOCYRHVCTAVNBW-NXEZZACHSA-N -1 1 273.344 1.956 20 0 CDADMM CC[C@@H]1CCC[C@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590508164 1173444234 /nfs/dbraw/zinc/44/42/34/1173444234.db2.gz MOCYRHVCTAVNBW-NXEZZACHSA-N -1 1 273.344 1.956 20 0 CDADMM O=C(c1ncccc1[O-])N1CCC(CCO)CC1 ZINC000400889878 289439424 /nfs/dbraw/zinc/43/94/24/289439424.db2.gz ADASDJDKTUFRHC-UHFFFAOYSA-N -1 1 250.298 1.022 20 0 CDADMM Cc1n[n-]c(=NCc2cccc3c[nH]nc32)n1C1CC1 ZINC000551451964 290007602 /nfs/dbraw/zinc/00/76/02/290007602.db2.gz AVUJVGZCMDMVHG-UHFFFAOYSA-N -1 1 268.324 1.832 20 0 CDADMM C[C@@H](C(=O)N1CCC[C@@H](c2nn[n-]n2)C1)C(C)(F)F ZINC000551735840 290014336 /nfs/dbraw/zinc/01/43/36/290014336.db2.gz YXMDLYLGAVUWFT-JGVFFNPUSA-N -1 1 273.287 1.197 20 0 CDADMM O=C(NCCc1ncc[nH]1)c1c(F)ccc([O-])c1F ZINC000554870259 290195544 /nfs/dbraw/zinc/19/55/44/290195544.db2.gz RCDCTRHGNDAGDQ-UHFFFAOYSA-N -1 1 267.235 1.366 20 0 CDADMM CC(F)(F)C[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000555407866 290217449 /nfs/dbraw/zinc/21/74/49/290217449.db2.gz RCBUZEOOUQIMNA-UHFFFAOYSA-N -1 1 267.272 1.900 20 0 CDADMM Cn1[n-]c(CNC2(C(F)F)CCCCC2)nc1=O ZINC000556817178 290303619 /nfs/dbraw/zinc/30/36/19/290303619.db2.gz ZEMSGGMKGMYMRH-UHFFFAOYSA-N -1 1 260.288 1.166 20 0 CDADMM C[C@H](O)[C@H]1CCCN(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000557741260 290366419 /nfs/dbraw/zinc/36/64/19/290366419.db2.gz XWMSXMPWVLJPHG-JQWIXIFHSA-N -1 1 277.320 1.194 20 0 CDADMM C[C@H]1CCC[C@@H]1NC(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287728916 290479475 /nfs/dbraw/zinc/47/94/75/290479475.db2.gz SYZYFJMRDNWQEM-KXVQEXJKSA-N -1 1 273.340 1.652 20 0 CDADMM Cc1cnc(C(=O)N2CCCO[C@@H](CF)C2)c([O-])c1 ZINC000413879557 292872161 /nfs/dbraw/zinc/87/21/61/292872161.db2.gz XFVBNCFWVQINQI-JTQLQIEISA-N -1 1 268.288 1.296 20 0 CDADMM C[C@@H](NC(=O)c1cncc([O-])c1)C(=O)NCc1ccccc1 ZINC000171765891 292905078 /nfs/dbraw/zinc/90/50/78/292905078.db2.gz ZHVOXQYUXKNXJE-LLVKDONJSA-N -1 1 299.330 1.222 20 0 CDADMM CC[N@@H+](Cc1ncccc1O)C[C@@H](O)C(F)(F)F ZINC000561954345 293107750 /nfs/dbraw/zinc/10/77/50/293107750.db2.gz LUHPWHXJCQBEKA-SNVBAGLBSA-N -1 1 264.247 1.532 20 0 CDADMM CNC(=O)c1ccc(=NC[C@H]2CCOC3(CCC3)C2)[n-]n1 ZINC000570520917 294255686 /nfs/dbraw/zinc/25/56/86/294255686.db2.gz LFASKRFOMPTCKX-NSHDSACASA-N -1 1 290.367 1.019 20 0 CDADMM CCO[C@@H](C)c1noc(CN(C)Cc2ncccc2[O-])n1 ZINC000571841183 294514196 /nfs/dbraw/zinc/51/41/96/294514196.db2.gz RRZWMNDFNIWOJJ-JTQLQIEISA-N -1 1 292.339 1.900 20 0 CDADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCc2nncn2C1 ZINC000572946362 294720912 /nfs/dbraw/zinc/72/09/12/294720912.db2.gz QOOFEFBMYZEVJL-MRVPVSSYSA-N -1 1 276.271 1.324 20 0 CDADMM CCSCC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001590853776 1173527145 /nfs/dbraw/zinc/52/71/45/1173527145.db2.gz YYBHLOYBXDDJGW-QMMMGPOBSA-N -1 1 279.373 1.600 20 0 CDADMM CCSCC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001590853776 1173527154 /nfs/dbraw/zinc/52/71/54/1173527154.db2.gz YYBHLOYBXDDJGW-QMMMGPOBSA-N -1 1 279.373 1.600 20 0 CDADMM COCC1(CNc2cc(-c3nnn[n-]3)ncn2)CCCC1 ZINC001591389942 1173642308 /nfs/dbraw/zinc/64/23/08/1173642308.db2.gz VNSGZQCJUPAGRH-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM COCC1(CNc2cc(-c3nn[n-]n3)ncn2)CCCC1 ZINC001591389942 1173642310 /nfs/dbraw/zinc/64/23/10/1173642310.db2.gz VNSGZQCJUPAGRH-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM CS[C@H]1CC[C@H](Nc2cc(-c3nnn[n-]3)nc(C)n2)C1 ZINC001591691244 1173681199 /nfs/dbraw/zinc/68/11/99/1173681199.db2.gz XMHLYVXKZPVMPG-IUCAKERBSA-N -1 1 291.384 1.661 20 0 CDADMM CS[C@H]1CC[C@H](Nc2cc(-c3nn[n-]n3)nc(C)n2)C1 ZINC001591691244 1173681203 /nfs/dbraw/zinc/68/12/03/1173681203.db2.gz XMHLYVXKZPVMPG-IUCAKERBSA-N -1 1 291.384 1.661 20 0 CDADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CC2=CCCCC2)c1 ZINC001591836982 1173712282 /nfs/dbraw/zinc/71/22/82/1173712282.db2.gz QXHBDLCFYSBSSO-UHFFFAOYSA-N -1 1 271.324 1.837 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(F)(F)C[C@H]2C)n1 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CC(C)SCC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000576459194 317141945 /nfs/dbraw/zinc/14/19/45/317141945.db2.gz ALRRURSCYYXQJE-SECBINFHSA-N -1 1 285.369 1.623 20 0 CDADMM Cc1cc(N[C@H](CO)CC(C)(C)C)nc(-c2nnn[n-]2)c1 ZINC001592035748 1173778997 /nfs/dbraw/zinc/77/89/97/1173778997.db2.gz SGGSXRMYBQOPPB-JTQLQIEISA-N -1 1 290.371 1.779 20 0 CDADMM Cc1cc(N[C@H](CO)CC(C)(C)C)nc(-c2nn[n-]n2)c1 ZINC001592035748 1173779002 /nfs/dbraw/zinc/77/90/02/1173779002.db2.gz SGGSXRMYBQOPPB-JTQLQIEISA-N -1 1 290.371 1.779 20 0 CDADMM Cc1cccc(OC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001592236039 1173835936 /nfs/dbraw/zinc/83/59/36/1173835936.db2.gz AGPCGCGLLALMGZ-UHFFFAOYSA-N -1 1 270.248 1.987 20 0 CDADMM Cc1cnc(NC(=O)c2ccc(-c3nn[n-]n3)o2)s1 ZINC001592294111 1173850326 /nfs/dbraw/zinc/85/03/26/1173850326.db2.gz XONQPQSZZDDXNB-UHFFFAOYSA-N -1 1 276.281 1.477 20 0 CDADMM CNC(=O)Cn1cc([N-]c2nc(C(C)C)ns2)cn1 ZINC000180987780 323224998 /nfs/dbraw/zinc/22/49/98/323224998.db2.gz BRANGQPUCDIFJM-UHFFFAOYSA-N -1 1 280.357 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Cc1cc(C(=O)CN2C[C@H](C)[C@H](C(=O)[O-])C2)c(C)[nH]1 ZINC000832859932 601524863 /nfs/dbraw/zinc/52/48/63/601524863.db2.gz VWWCMUXSPOPXPH-QPUJVOFHSA-N -1 1 264.325 1.467 20 0 CDADMM Cc1ccccc1NC(=O)CN1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000223822725 601526603 /nfs/dbraw/zinc/52/66/03/601526603.db2.gz KTADMIAQFQSSST-NEPJUHHUSA-N -1 1 276.336 1.586 20 0 CDADMM C[C@@]1(c2ccccc2)CCN(CC(=O)NCCC(=O)[O-])C1 ZINC000828128082 601542377 /nfs/dbraw/zinc/54/23/77/601542377.db2.gz NTTXLGMZLOVVQQ-MRXNPFEDSA-N -1 1 290.363 1.241 20 0 CDADMM COC[C@@H]1CCCN1CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000831665852 601568492 /nfs/dbraw/zinc/56/84/92/601568492.db2.gz AGXGMNJHNKDYMN-LBPRGKRZSA-N -1 1 298.383 1.001 20 0 CDADMM CCc1oc(C(=O)[O-])cc1COC(=O)Cc1cc(C)[nH]n1 ZINC000830388674 601609991 /nfs/dbraw/zinc/60/99/91/601609991.db2.gz HHHJVJCWAKNVKR-UHFFFAOYSA-N -1 1 292.291 1.858 20 0 CDADMM CC(C)CN(CC(N)=O)Cc1ccsc1C(=O)[O-] ZINC000110956402 601806676 /nfs/dbraw/zinc/80/66/76/601806676.db2.gz LDATXQNUXSSHGS-UHFFFAOYSA-N -1 1 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/nfs/dbraw/zinc/53/48/84/604534884.db2.gz HKENGOKYRFNHIH-JOYOIKCWSA-N -1 1 294.355 1.298 20 0 CDADMM CCCN(CCC)C(=O)CN[C@](C)(CC)C(=O)[O-] ZINC000094228398 604616035 /nfs/dbraw/zinc/61/60/35/604616035.db2.gz XKMUSUMHEMKFIA-CYBMUJFWSA-N -1 1 258.362 1.478 20 0 CDADMM C[C@H]1[C@H](C)N(C(=O)Nc2cccc(C(=O)[O-])c2)CCN1C ZINC000833583630 604803066 /nfs/dbraw/zinc/80/30/66/604803066.db2.gz JXFFMUTYUAGFCE-QWRGUYRKSA-N -1 1 291.351 1.941 20 0 CDADMM CC(C)[C@H](C)CNC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833469008 605054681 /nfs/dbraw/zinc/05/46/81/605054681.db2.gz PBWNTDWJQKDTQB-CHWSQXEVSA-N -1 1 299.415 1.469 20 0 CDADMM CCN(CC)C(=O)CNCc1ccc(C(=O)[O-])cc1 ZINC000228792731 605086385 /nfs/dbraw/zinc/08/63/85/605086385.db2.gz FFTGLKQTCPJQMV-UHFFFAOYSA-N -1 1 264.325 1.343 20 0 CDADMM C[C@@H]1C[C@@H](NC(=O)C2CCC(C(=O)[O-])CC2)C[N@H+]1C1CC1 ZINC000833596478 605090381 /nfs/dbraw/zinc/09/03/81/605090381.db2.gz LJGCYPMFISHJIQ-IKWCTNDRSA-N -1 1 294.395 1.619 20 0 CDADMM Cc1nc(COC(=O)c2ccc(NC(=O)[O-])cc2)n[nH]1 ZINC000830761825 605263354 /nfs/dbraw/zinc/26/33/54/605263354.db2.gz UAJUXYLHJIZBPP-UHFFFAOYSA-N -1 1 276.252 1.560 20 0 CDADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCc3ccc(O)cc3C2)O1 ZINC000833581634 605363485 /nfs/dbraw/zinc/36/34/85/605363485.db2.gz XBYBGNWUAHKPDR-AWEZNQCLSA-N -1 1 289.331 1.898 20 0 CDADMM C[C@H](O)[C@@H]1CCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000833529044 605698227 /nfs/dbraw/zinc/69/82/27/605698227.db2.gz QVXDEUVSNYPRNF-CMPLNLGQSA-N -1 1 292.335 1.026 20 0 CDADMM CCN(CC)C(=O)CN1CCCCC[C@@H]1C(=O)[O-] ZINC000080992369 605848906 /nfs/dbraw/zinc/84/89/06/605848906.db2.gz IECFPQBUHHTSIT-LLVKDONJSA-N -1 1 256.346 1.184 20 0 CDADMM O=C(OC[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)s1 ZINC000823397564 606136733 /nfs/dbraw/zinc/13/67/33/606136733.db2.gz XMBQUPZDADDSLL-ZETCQYMHSA-N -1 1 280.309 1.264 20 0 CDADMM O=C(OC[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)s1 ZINC000823397564 606136734 /nfs/dbraw/zinc/13/67/34/606136734.db2.gz XMBQUPZDADDSLL-ZETCQYMHSA-N -1 1 280.309 1.264 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccs1 ZINC000823294629 606194762 /nfs/dbraw/zinc/19/47/62/606194762.db2.gz KUJJDZNDVYRVLI-UHFFFAOYSA-N -1 1 287.304 1.886 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1C ZINC000822414882 606292850 /nfs/dbraw/zinc/29/28/50/606292850.db2.gz YLNINBXDRORTET-UHFFFAOYSA-N -1 1 299.294 1.165 20 0 CDADMM CC(C)[C@H](O)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820027317 606467731 /nfs/dbraw/zinc/46/77/31/606467731.db2.gz QLLMHOVOCYEFHT-MRVPVSSYSA-N -1 1 282.735 1.344 20 0 CDADMM CC(C)[C@H](O)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820027317 606467733 /nfs/dbraw/zinc/46/77/33/606467733.db2.gz QLLMHOVOCYEFHT-MRVPVSSYSA-N -1 1 282.735 1.344 20 0 CDADMM C[C@H](CO)Sc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820287220 606469998 /nfs/dbraw/zinc/46/99/98/606469998.db2.gz KOXGTMFBGHEFTC-RXMQYKEDSA-N -1 1 271.733 1.388 20 0 CDADMM C[C@H](CO)Sc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820287220 606470000 /nfs/dbraw/zinc/47/00/00/606470000.db2.gz KOXGTMFBGHEFTC-RXMQYKEDSA-N -1 1 271.733 1.388 20 0 CDADMM O=C(NCC(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000823161536 606502390 /nfs/dbraw/zinc/50/23/90/606502390.db2.gz NWRAAVYIWQCQGL-UHFFFAOYSA-N -1 1 277.231 1.220 20 0 CDADMM O=C(NCC(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000823161536 606502391 /nfs/dbraw/zinc/50/23/91/606502391.db2.gz NWRAAVYIWQCQGL-UHFFFAOYSA-N -1 1 277.231 1.220 20 0 CDADMM C[C@@H]1C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820665740 606526116 /nfs/dbraw/zinc/52/61/16/606526116.db2.gz GMWGVROSXUSVBL-RQJHMYQMSA-N -1 1 263.326 1.314 20 0 CDADMM C[C@@H]1C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820665740 606526118 /nfs/dbraw/zinc/52/61/18/606526118.db2.gz GMWGVROSXUSVBL-RQJHMYQMSA-N -1 1 263.326 1.314 20 0 CDADMM CN(C)c1ccc(NCc2ccc(-c3nnn[n-]3)o2)nc1 ZINC000821589255 607228880 /nfs/dbraw/zinc/22/88/80/607228880.db2.gz FUXOCXDYWAQSJO-UHFFFAOYSA-N -1 1 285.311 1.533 20 0 CDADMM CN(C)c1ccc(NCc2ccc(-c3nn[n-]n3)o2)nc1 ZINC000821589255 607228881 /nfs/dbraw/zinc/22/88/81/607228881.db2.gz FUXOCXDYWAQSJO-UHFFFAOYSA-N -1 1 285.311 1.533 20 0 CDADMM CC1(C)C[C@H](Nc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000824789351 607821424 /nfs/dbraw/zinc/82/14/24/607821424.db2.gz HCLSXFUQCXJGPB-SECBINFHSA-N -1 1 274.328 1.631 20 0 CDADMM CC1(C)C[C@H](Nc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000824789351 607821425 /nfs/dbraw/zinc/82/14/25/607821425.db2.gz HCLSXFUQCXJGPB-SECBINFHSA-N -1 1 274.328 1.631 20 0 CDADMM CCc1nc(Sc2cccc(-c3nn[n-]n3)n2)n[nH]1 ZINC000825772060 607895487 /nfs/dbraw/zinc/89/54/87/607895487.db2.gz YLVJBSSQEYCVBH-UHFFFAOYSA-N -1 1 274.313 1.093 20 0 CDADMM C[C@@]1(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CCOC1 ZINC000824838081 607905342 /nfs/dbraw/zinc/90/53/42/607905342.db2.gz MHKODRKONOSKTN-LLVKDONJSA-N -1 1 280.719 1.506 20 0 CDADMM C[C@@]1(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CCOC1 ZINC000824838081 607905343 /nfs/dbraw/zinc/90/53/43/607905343.db2.gz MHKODRKONOSKTN-LLVKDONJSA-N -1 1 280.719 1.506 20 0 CDADMM C[C@H](c1ccccn1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824770358 607989834 /nfs/dbraw/zinc/98/98/34/607989834.db2.gz JLKTVNBHZVKFET-SECBINFHSA-N -1 1 282.311 1.249 20 0 CDADMM C[C@H](c1ccccn1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824770358 607989835 /nfs/dbraw/zinc/98/98/35/607989835.db2.gz JLKTVNBHZVKFET-SECBINFHSA-N -1 1 282.311 1.249 20 0 CDADMM Clc1ccccc1CCn1ccnc1-c1nnn[n-]1 ZINC000826353266 608013611 /nfs/dbraw/zinc/01/36/11/608013611.db2.gz IPHCIXLHFSUOLJ-UHFFFAOYSA-N -1 1 274.715 1.959 20 0 CDADMM Clc1ccccc1CCn1ccnc1-c1nn[n-]n1 ZINC000826353266 608013612 /nfs/dbraw/zinc/01/36/12/608013612.db2.gz IPHCIXLHFSUOLJ-UHFFFAOYSA-N -1 1 274.715 1.959 20 0 CDADMM Cn1ccnc1Sc1snc(Cl)c1-c1nnn[n-]1 ZINC000826365056 608171659 /nfs/dbraw/zinc/17/16/59/608171659.db2.gz ZSSVQFOPQHCYLV-UHFFFAOYSA-N -1 1 299.772 1.861 20 0 CDADMM Cn1ccnc1Sc1snc(Cl)c1-c1nn[n-]n1 ZINC000826365056 608171660 /nfs/dbraw/zinc/17/16/60/608171660.db2.gz ZSSVQFOPQHCYLV-UHFFFAOYSA-N -1 1 299.772 1.861 20 0 CDADMM Cc1ccsc1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826316290 608294419 /nfs/dbraw/zinc/29/44/19/608294419.db2.gz JPGJXECUXODLHD-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM Cc1ccsc1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826316290 608294421 /nfs/dbraw/zinc/29/44/21/608294421.db2.gz JPGJXECUXODLHD-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM CC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000825194761 608388156 /nfs/dbraw/zinc/38/81/56/608388156.db2.gz SPGWKPMZLKABLE-VIFPVBQESA-N -1 1 259.317 1.426 20 0 CDADMM CC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000825194761 608388158 /nfs/dbraw/zinc/38/81/58/608388158.db2.gz SPGWKPMZLKABLE-VIFPVBQESA-N -1 1 259.317 1.426 20 0 CDADMM C[C@@H]1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824928208 608396837 /nfs/dbraw/zinc/39/68/37/608396837.db2.gz SGJCDATZDDGEKU-ZJUUUORDSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824928208 608396839 /nfs/dbraw/zinc/39/68/39/608396839.db2.gz SGJCDATZDDGEKU-ZJUUUORDSA-N -1 1 273.344 1.672 20 0 CDADMM CCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825203684 608401608 /nfs/dbraw/zinc/40/16/08/608401608.db2.gz OCZOURRBGATAQA-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825203684 608401610 /nfs/dbraw/zinc/40/16/10/608401610.db2.gz OCZOURRBGATAQA-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CN(CC1CCCC1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825908580 608406354 /nfs/dbraw/zinc/40/63/54/608406354.db2.gz JPMBFNPBLTZRJF-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CN(CC1CCCC1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825908580 608406357 /nfs/dbraw/zinc/40/63/57/608406357.db2.gz JPMBFNPBLTZRJF-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccncc1 ZINC000825149415 608423152 /nfs/dbraw/zinc/42/31/52/608423152.db2.gz YBODWTLGDBCQCW-SNVBAGLBSA-N -1 1 282.311 1.615 20 0 CDADMM CC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccncc1 ZINC000825149415 608423153 /nfs/dbraw/zinc/42/31/53/608423153.db2.gz YBODWTLGDBCQCW-SNVBAGLBSA-N -1 1 282.311 1.615 20 0 CDADMM Fc1cccc2c1CN(c1nccnc1-c1nnn[n-]1)CC2 ZINC000826378040 608447160 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O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000910433021 629062925 /nfs/dbraw/zinc/06/29/25/629062925.db2.gz KMZKDGQCQXOZOR-LURJTMIESA-N -1 1 295.192 1.282 20 0 CDADMM C[N@H+]1CCC[C@H]1C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC000910500954 629104097 /nfs/dbraw/zinc/10/40/97/629104097.db2.gz QUCLOLUMUZYOSO-AWEZNQCLSA-N -1 1 288.347 1.364 20 0 CDADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000910980173 629133777 /nfs/dbraw/zinc/13/37/77/629133777.db2.gz QGNQAHQOZZVYBE-LURJTMIESA-N -1 1 291.275 1.044 20 0 CDADMM CCN1C[C@H](C(=O)Nc2cc(F)cc(F)c2[O-])CC1=O ZINC000910982025 629135609 /nfs/dbraw/zinc/13/56/09/629135609.db2.gz VLKHBJRFADSXEI-SSDOTTSWSA-N -1 1 284.262 1.477 20 0 CDADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@]1(O)CCSC1 ZINC000910984005 629136080 /nfs/dbraw/zinc/13/60/80/629136080.db2.gz SVYDTUKHQVTHKJ-NSHDSACASA-N -1 1 275.276 1.477 20 0 CDADMM CCC[C@H](CC)NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000911309679 629232751 /nfs/dbraw/zinc/23/27/51/629232751.db2.gz 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/nfs/dbraw/zinc/48/09/67/630480967.db2.gz PYLHMNKNNJLXIL-NSHDSACASA-N -1 1 271.324 1.596 20 0 CDADMM O=Cc1cc(C(=O)N2CCC(c3nn[n-]n3)CC2)cs1 ZINC000913743684 630742296 /nfs/dbraw/zinc/74/22/96/630742296.db2.gz GSXVPPIFKMTBBY-UHFFFAOYSA-N -1 1 291.336 1.094 20 0 CDADMM CC(C)(C(=O)N1CCC(c2nn[n-]n2)CC1)C1CC1 ZINC000913744922 630742888 /nfs/dbraw/zinc/74/28/88/630742888.db2.gz KHQDSHMQIXYCNK-UHFFFAOYSA-N -1 1 263.345 1.342 20 0 CDADMM CC(C(=O)N1CCC(c2nn[n-]n2)CC1)=C1CCC1 ZINC000913745673 630743389 /nfs/dbraw/zinc/74/33/89/630743389.db2.gz ARMLVGPZAZWOBE-UHFFFAOYSA-N -1 1 261.329 1.406 20 0 CDADMM O=C([C@H]1CCCCC1(F)F)N1CCC(c2nn[n-]n2)CC1 ZINC000913746553 630744431 /nfs/dbraw/zinc/74/44/31/630744431.db2.gz ZSRCWFDJUXQYHG-SNVBAGLBSA-N -1 1 299.325 1.731 20 0 CDADMM Cc1[nH][n-]c(=O)c1Sc1nccc(C(F)(F)F)n1 ZINC000916563353 632013386 /nfs/dbraw/zinc/01/33/86/632013386.db2.gz ULXSTMLGXPIXMJ-LURJTMIESA-N -1 1 276.243 1.462 20 0 CDADMM CCn1cnnc1CNC(=O)c1c([O-])cccc1Cl ZINC000920451492 632780196 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CCCC[C@H](C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001604162870 1163111792 /nfs/dbraw/zinc/11/17/92/1163111792.db2.gz LKXAOGUOUXZCHA-QMMMGPOBSA-N -1 1 277.332 1.365 20 0 CDADMM CCCC[C@H](C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001604162870 1163111794 /nfs/dbraw/zinc/11/17/94/1163111794.db2.gz LKXAOGUOUXZCHA-QMMMGPOBSA-N -1 1 277.332 1.365 20 0 CDADMM C[C@@H](NC(=O)c1ccccc1C(=O)[O-])C1=NN(C)CC1=O ZINC001604314192 1163145981 /nfs/dbraw/zinc/14/59/81/1163145981.db2.gz HRXUEOXTJASIAM-MRVPVSSYSA-N -1 1 289.291 1.315 20 0 CDADMM CCON(CC)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001604438568 1163187965 /nfs/dbraw/zinc/18/79/65/1163187965.db2.gz VDZZNRJMQMHIRE-UHFFFAOYSA-N -1 1 296.356 1.411 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](C)C[C@H]2C)n1 ZINC001604547896 1163227123 /nfs/dbraw/zinc/22/71/23/1163227123.db2.gz YPGSKJFMJOYNQI-NXEZZACHSA-N -1 1 287.371 1.844 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](C)C[C@H]2C)n1 ZINC001604547896 1163227126 /nfs/dbraw/zinc/22/71/26/1163227126.db2.gz YPGSKJFMJOYNQI-NXEZZACHSA-N -1 1 287.371 1.844 20 0 CDADMM CCc1nc(CNCc2nc(-c3nnn[n-]3)cs2)co1 ZINC001604555111 1163228349 /nfs/dbraw/zinc/22/83/49/1163228349.db2.gz CIOUDHDEUJPVSA-UHFFFAOYSA-N -1 1 291.340 1.163 20 0 CDADMM CCc1nc(CNCc2nc(-c3nn[n-]n3)cs2)co1 ZINC001604555111 1163228353 /nfs/dbraw/zinc/22/83/53/1163228353.db2.gz CIOUDHDEUJPVSA-UHFFFAOYSA-N -1 1 291.340 1.163 20 0 CDADMM CCc1nc(NC[C@@H]2C[C@H]2C(C)C)cc(-c2nnn[n-]2)n1 ZINC001604568056 1163232120 /nfs/dbraw/zinc/23/21/20/1163232120.db2.gz JGCUTMUJIZJEJG-UWVGGRQHSA-N -1 1 287.371 1.923 20 0 CDADMM CCc1nc(NC[C@@H]2C[C@H]2C(C)C)cc(-c2nn[n-]n2)n1 ZINC001604568056 1163232126 /nfs/dbraw/zinc/23/21/26/1163232126.db2.gz JGCUTMUJIZJEJG-UWVGGRQHSA-N -1 1 287.371 1.923 20 0 CDADMM Cc1[nH]n([C@@H]2C[C@@H](C)O[C@@H](C)C2)c(=O)c1CC(=O)[O-] ZINC001604616511 1163251341 /nfs/dbraw/zinc/25/13/41/1163251341.db2.gz WQBHAPWXCSFEOP-OEIWMXHLSA-N -1 1 268.313 1.251 20 0 CDADMM C[C@H]1[C@@H](C(=O)[O-])CCN1CC(=O)Nc1ccc(Cl)cn1 ZINC001604636367 1163260685 /nfs/dbraw/zinc/26/06/85/1163260685.db2.gz LLBZCGZJGWAPEB-WPRPVWTQSA-N -1 1 297.742 1.469 20 0 CDADMM CN(C(=O)c1ccsc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001604660343 1163271173 /nfs/dbraw/zinc/27/11/73/1163271173.db2.gz QARUDAVMLQOWHE-UHFFFAOYSA-N -1 1 286.320 1.600 20 0 CDADMM CN(C(=O)c1ccsc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001604660343 1163271177 /nfs/dbraw/zinc/27/11/77/1163271177.db2.gz QARUDAVMLQOWHE-UHFFFAOYSA-N -1 1 286.320 1.600 20 0 CDADMM CN(C)c1ccnc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001604703976 1163290134 /nfs/dbraw/zinc/29/01/34/1163290134.db2.gz QZMPZIRVICPSPO-UHFFFAOYSA-N -1 1 299.294 1.173 20 0 CDADMM C[C@H]1CCN(CC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1 ZINC001604751192 1163307870 /nfs/dbraw/zinc/30/78/70/1163307870.db2.gz BNVZZZAAIOVEPE-JSGCOSHPSA-N -1 1 296.411 1.868 20 0 CDADMM CN(Cc1csc(-c2nn[n-]n2)c1)Cc1ccon1 ZINC001604822522 1163341979 /nfs/dbraw/zinc/34/19/79/1163341979.db2.gz KAAZRMYIFFWVOI-UHFFFAOYSA-N -1 1 276.325 1.548 20 0 CDADMM C[C@H]1NCCn2c(C(=O)N3CCCC[C@@H]3C(=O)[O-])ccc21 ZINC001604830458 1163344922 /nfs/dbraw/zinc/34/49/22/1163344922.db2.gz APVCOAJQWUOUMH-ZWNOBZJWSA-N -1 1 291.351 1.232 20 0 CDADMM C[C@H]1OCC[C@@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001604835018 1163347412 /nfs/dbraw/zinc/34/74/12/1163347412.db2.gz PBRXUSCDXACXKA-SFYZADRCSA-N -1 1 289.291 1.625 20 0 CDADMM CO[C@@H]1CCC[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001605030390 1163425190 /nfs/dbraw/zinc/42/51/90/1163425190.db2.gz LSNGSZYJLRHIQZ-GXSJLCMTSA-N -1 1 289.343 1.192 20 0 CDADMM CO[C@@H]1CCC[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001605030390 1163425194 /nfs/dbraw/zinc/42/51/94/1163425194.db2.gz LSNGSZYJLRHIQZ-GXSJLCMTSA-N -1 1 289.343 1.192 20 0 CDADMM CC[C@H]1CN(C)CCN1[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001605173049 1163475937 /nfs/dbraw/zinc/47/59/37/1163475937.db2.gz KJJVCYWQHPOYJZ-ZJUUUORDSA-N -1 1 283.397 1.928 20 0 CDADMM CCN(CCc1ccccc1)Cn1cnc(C(=O)[O-])n1 ZINC001605453138 1163568820 /nfs/dbraw/zinc/56/88/20/1163568820.db2.gz 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1163655716 /nfs/dbraw/zinc/65/57/16/1163655716.db2.gz NSHSJSFLVTVTDF-WNWIJWBNSA-N -1 1 259.327 1.397 20 0 CDADMM Cc1ncc(CNc2cc(C)cc(-c3nnn[n-]3)n2)o1 ZINC001605740307 1163657640 /nfs/dbraw/zinc/65/76/40/1163657640.db2.gz SDVCKEMXBGNAPZ-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1ncc(CNc2cc(C)cc(-c3nn[n-]n3)n2)o1 ZINC001605740307 1163657642 /nfs/dbraw/zinc/65/76/42/1163657642.db2.gz SDVCKEMXBGNAPZ-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM CCc1nnc(COC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)[nH]1 ZINC001605853299 1163690086 /nfs/dbraw/zinc/69/00/86/1163690086.db2.gz YPYRTDYKZBZVGI-RKDXNWHRSA-N -1 1 281.312 1.301 20 0 CDADMM CCc1oc(CNC2([C@H](C)O)CC2)cc1C(=O)[O-] ZINC001605892011 1163710540 /nfs/dbraw/zinc/71/05/40/1163710540.db2.gz LFCUKVDMXCEULR-QMMMGPOBSA-N -1 1 253.298 1.543 20 0 CDADMM Cc1ccoc1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001605964381 1163729372 /nfs/dbraw/zinc/72/93/72/1163729372.db2.gz MQFDKNXDKXSBBB-UHFFFAOYSA-N -1 1 270.252 1.415 20 0 CDADMM Cc1ccoc1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001605964381 1163729375 /nfs/dbraw/zinc/72/93/75/1163729375.db2.gz MQFDKNXDKXSBBB-UHFFFAOYSA-N -1 1 270.252 1.415 20 0 CDADMM Cc1cnn([C@@H]2CCN(c3cccnc3-c3nnn[n-]3)C2)c1 ZINC001605990263 1163737745 /nfs/dbraw/zinc/73/77/45/1163737745.db2.gz VIBNCASMMJIJFN-LLVKDONJSA-N -1 1 296.338 1.218 20 0 CDADMM Cc1cnn([C@@H]2CCN(c3cccnc3-c3nn[n-]n3)C2)c1 ZINC001605990263 1163737748 /nfs/dbraw/zinc/73/77/48/1163737748.db2.gz VIBNCASMMJIJFN-LLVKDONJSA-N -1 1 296.338 1.218 20 0 CDADMM Cc1csc(CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001606005444 1163741196 /nfs/dbraw/zinc/74/11/96/1163741196.db2.gz WMWLPZQVIRJEKF-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1csc(CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001606005444 1163741202 /nfs/dbraw/zinc/74/12/02/1163741202.db2.gz WMWLPZQVIRJEKF-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@H]2CCCC2(C)C)c1-c1nn[n-]n1 ZINC001606013944 1163743783 /nfs/dbraw/zinc/74/37/83/1163743783.db2.gz ZXROIWLOWDSVSJ-MRVPVSSYSA-N -1 1 289.343 1.663 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@H]2CC[C@@H](C)O2)c1C ZINC001606020737 1163748189 /nfs/dbraw/zinc/74/81/89/1163748189.db2.gz ANBVNXWKAHTHSJ-GMSGAONNSA-N -1 1 262.317 1.248 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@H]2CC[C@@H](C)O2)c1C ZINC001606020737 1163748199 /nfs/dbraw/zinc/74/81/99/1163748199.db2.gz ANBVNXWKAHTHSJ-GMSGAONNSA-N -1 1 262.317 1.248 20 0 CDADMM CN(CC(=O)[O-])C(=O)CC[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC001606086479 1163768916 /nfs/dbraw/zinc/76/89/16/1163768916.db2.gz IKPXRARYUGXJKG-ZDUSSCGKSA-N -1 1 294.326 1.506 20 0 CDADMM CN(CC(=O)[O-])C(=O)CCN1CC[C@H]1c1ccc(F)cc1 ZINC001606086479 1163768920 /nfs/dbraw/zinc/76/89/20/1163768920.db2.gz IKPXRARYUGXJKG-ZDUSSCGKSA-N -1 1 294.326 1.506 20 0 CDADMM CN(Cc1cnc[nH]1)Cc1cc(C(=O)[O-])ccc1F ZINC001606146362 1163787956 /nfs/dbraw/zinc/78/79/56/1163787956.db2.gz ZKNOTQNAAFBCEZ-UHFFFAOYSA-N -1 1 263.272 1.879 20 0 CDADMM CN(Cc1ccc(C(=O)[O-])cc1)Cc1ccnc(N)c1 ZINC001606154405 1163788925 /nfs/dbraw/zinc/78/89/25/1163788925.db2.gz DLMSFLHCHWTBOT-UHFFFAOYSA-N -1 1 271.320 1.994 20 0 CDADMM CN(Cc1ccc(C(=O)[O-])c(Cl)c1)C(C)(C)C(N)=O ZINC001606149685 1163789417 /nfs/dbraw/zinc/78/94/17/1163789417.db2.gz CAHVBUCZCDPJLD-UHFFFAOYSA-N -1 1 284.743 1.734 20 0 CDADMM ClC(Cl)(Cl)CCn1ccnc1-c1nnn[n-]1 ZINC001606185740 1163801510 /nfs/dbraw/zinc/80/15/10/1163801510.db2.gz WPFQTTKTZDQDRX-UHFFFAOYSA-N -1 1 281.534 1.824 20 0 CDADMM ClC(Cl)(Cl)CCn1ccnc1-c1nn[n-]n1 ZINC001606185740 1163801513 /nfs/dbraw/zinc/80/15/13/1163801513.db2.gz WPFQTTKTZDQDRX-UHFFFAOYSA-N -1 1 281.534 1.824 20 0 CDADMM Cn1cc(C=Cc2cnc(-c3nnn[n-]3)cn2)c(C2CC2)n1 ZINC001606238003 1163824723 /nfs/dbraw/zinc/82/47/23/1163824723.db2.gz UUSQMKNLMHBBNK-SNAWJCMRSA-N -1 1 294.322 1.438 20 0 CDADMM Cn1cc(C=Cc2cnc(-c3nn[n-]n3)cn2)c(C2CC2)n1 ZINC001606238003 1163824727 /nfs/dbraw/zinc/82/47/27/1163824727.db2.gz UUSQMKNLMHBBNK-SNAWJCMRSA-N -1 1 294.322 1.438 20 0 CDADMM CNC(=O)N[C@@H]1CCN(Cc2ccc(C)c(C(=O)[O-])c2)C1 ZINC001606280943 1163835481 /nfs/dbraw/zinc/83/54/81/1163835481.db2.gz LZPUFOQLHYVNBK-GFCCVEGCSA-N -1 1 291.351 1.197 20 0 CDADMM FC(F)CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001606298338 1163844180 /nfs/dbraw/zinc/84/41/80/1163844180.db2.gz IUDSFIKICYEGDZ-UHFFFAOYSA-N -1 1 294.187 1.958 20 0 CDADMM FC(F)CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001606298338 1163844185 /nfs/dbraw/zinc/84/41/85/1163844185.db2.gz IUDSFIKICYEGDZ-UHFFFAOYSA-N -1 1 294.187 1.958 20 0 CDADMM FC1(C2CC2)CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001606300505 1163845456 /nfs/dbraw/zinc/84/54/56/1163845456.db2.gz IEYUHWBLXKILNS-UHFFFAOYSA-N -1 1 288.330 1.980 20 0 CDADMM FC1(C2CC2)CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001606300505 1163845463 /nfs/dbraw/zinc/84/54/63/1163845463.db2.gz IEYUHWBLXKILNS-UHFFFAOYSA-N -1 1 288.330 1.980 20 0 CDADMM FC1(F)[C@@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@@H]21 ZINC001606301017 1163846884 /nfs/dbraw/zinc/84/68/84/1163846884.db2.gz KZIYZFGYBQMKDP-POBXSPIYSA-N -1 1 279.254 1.112 20 0 CDADMM FC1(F)[C@@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@@H]21 ZINC001606301017 1163846889 /nfs/dbraw/zinc/84/68/89/1163846889.db2.gz KZIYZFGYBQMKDP-POBXSPIYSA-N -1 1 279.254 1.112 20 0 CDADMM FCCOCCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001606303252 1163848793 /nfs/dbraw/zinc/84/87/93/1163848793.db2.gz WHTGCBFVOQFZGK-UHFFFAOYSA-N -1 1 292.727 1.375 20 0 CDADMM Cc1cc(C=O)c([O-])c(C(=O)NCC[C@H](O)C2CC2)c1 ZINC001158958206 1163877456 /nfs/dbraw/zinc/87/74/56/1163877456.db2.gz BTONQWKMQJEPHJ-ZDUSSCGKSA-N -1 1 277.320 1.404 20 0 CDADMM COC(=O)c1sccc1CN[C@@H](CC(F)F)C(=O)[O-] ZINC001606643722 1163944588 /nfs/dbraw/zinc/94/45/88/1163944588.db2.gz FTAZBAPHOCTHJJ-ZETCQYMHSA-N -1 1 293.291 1.733 20 0 CDADMM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606662931 1163952205 /nfs/dbraw/zinc/95/22/05/1163952205.db2.gz KVSNRZVOVOQTGN-INTQDDNPSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606662931 1163952210 /nfs/dbraw/zinc/95/22/10/1163952210.db2.gz KVSNRZVOVOQTGN-INTQDDNPSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(-c2nnn[n-]2)s1 ZINC001606664961 1163953079 /nfs/dbraw/zinc/95/30/79/1163953079.db2.gz WSPLFELEAYPMSG-XHNCKOQMSA-N -1 1 289.364 1.847 20 0 CDADMM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(-c2nn[n-]n2)s1 ZINC001606664961 1163953082 /nfs/dbraw/zinc/95/30/82/1163953082.db2.gz WSPLFELEAYPMSG-XHNCKOQMSA-N -1 1 289.364 1.847 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)[C@H](O)C1CCC1 ZINC001606979239 1164047264 /nfs/dbraw/zinc/04/72/64/1164047264.db2.gz POWSDUMETOCBHH-SNVBAGLBSA-N -1 1 294.336 1.132 20 0 CDADMM COc1c(NC(=O)Cc2cc(C)[nH]n2)cccc1C(=O)[O-] ZINC001607029645 1164062098 /nfs/dbraw/zinc/06/20/98/1164062098.db2.gz LDFZLAIVXOUGNX-UHFFFAOYSA-N -1 1 289.291 1.606 20 0 CDADMM COc1c(NC(=O)c2ncccc2O)cccc1C(=O)[O-] ZINC001607034891 1164065931 /nfs/dbraw/zinc/06/59/31/1164065931.db2.gz BAOVKFDCLVBICG-UHFFFAOYSA-N -1 1 288.259 1.746 20 0 CDADMM c1cc(N2CCC[C@@H]3CCCC[C@@H]32)nc(-c2nn[n-]n2)n1 ZINC001607120048 1164103532 /nfs/dbraw/zinc/10/35/32/1164103532.db2.gz RMSKNJKPGKCWCC-QWRGUYRKSA-N -1 1 285.355 1.816 20 0 CDADMM c1nc(NC[C@H]2CCCSC2)cc(-c2nnn[n-]2)n1 ZINC001607137592 1164115767 /nfs/dbraw/zinc/11/57/67/1164115767.db2.gz WLHCVEGWNASOSB-MRVPVSSYSA-N -1 1 277.357 1.212 20 0 CDADMM c1nc(NC[C@H]2CCCSC2)cc(-c2nn[n-]n2)n1 ZINC001607137592 1164115773 /nfs/dbraw/zinc/11/57/73/1164115773.db2.gz WLHCVEGWNASOSB-MRVPVSSYSA-N -1 1 277.357 1.212 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CC[C@@H](C3CCCC3)C2)n1 ZINC001607136520 1164116171 /nfs/dbraw/zinc/11/61/71/1164116171.db2.gz HVGSHDZFOAYXCE-LLVKDONJSA-N -1 1 285.355 1.673 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CC[C@@H](C3CCCC3)C2)n1 ZINC001607136520 1164116177 /nfs/dbraw/zinc/11/61/77/1164116177.db2.gz HVGSHDZFOAYXCE-LLVKDONJSA-N -1 1 285.355 1.673 20 0 CDADMM Cc1cccc(CN(C)C[C@H]2[C@@H](C(=O)[O-])C2(F)F)n1 ZINC001607851277 1164311880 /nfs/dbraw/zinc/31/18/80/1164311880.db2.gz PGJOZJBQTRTSJM-QWRGUYRKSA-N -1 1 270.279 1.788 20 0 CDADMM Cc1nn(C)c(C)c1CNCc1ccc(C(=O)[O-])n1C ZINC001607998792 1164370700 /nfs/dbraw/zinc/37/07/00/1164370700.db2.gz GYPOVLJQYXSTKK-UHFFFAOYSA-N -1 1 276.340 1.363 20 0 CDADMM CCc1cccc(C(=O)NCCCC[P@](=O)([O-])O)c1 ZINC001192982889 1164384736 /nfs/dbraw/zinc/38/47/36/1164384736.db2.gz IKOYNZFPXVEMTI-UHFFFAOYSA-N -1 1 285.280 1.937 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2ccn(-c3ccncc3)n2)c[nH]1 ZINC001608522149 1164532022 /nfs/dbraw/zinc/53/20/22/1164532022.db2.gz VDOMYMUYCRRWCM-UHFFFAOYSA-N -1 1 297.274 1.546 20 0 CDADMM O=C([O-])[C@@H](CF)NCc1cc2ccccc2[nH]c1=O ZINC001608533958 1164536471 /nfs/dbraw/zinc/53/64/71/1164536471.db2.gz OXJUUJZRMDGVTO-LLVKDONJSA-N -1 1 264.256 1.453 20 0 CDADMM O=C([O-])CN1CCN(C(=O)C=C2CCCCC2)CC1 ZINC001608749115 1164628501 /nfs/dbraw/zinc/62/85/01/1164628501.db2.gz MSSQGTSOULKDTL-UHFFFAOYSA-N -1 1 266.341 1.106 20 0 CDADMM O=C([O-])c1cc(CN2CCC[C@H](c3ccncn3)C2)on1 ZINC001608842113 1164658824 /nfs/dbraw/zinc/65/88/24/1164658824.db2.gz ZAUJCBYGJMBABI-JTQLQIEISA-N -1 1 288.307 1.542 20 0 CDADMM O=C([O-])c1cc(CN2CCC(O)CC2)n2c1CCCC2 ZINC001608841965 1164659308 /nfs/dbraw/zinc/65/93/08/1164659308.db2.gz RLKWYOIIPHEIMG-UHFFFAOYSA-N -1 1 278.352 1.479 20 0 CDADMM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)ccc1F ZINC001608855595 1164664296 /nfs/dbraw/zinc/66/42/96/1164664296.db2.gz YSDZJORZJCPPKG-RKDXNWHRSA-N -1 1 289.266 1.989 20 0 CDADMM O=C([O-])c1cc2n(n1)CCC[C@@H]2NCc1ccc[nH]c1=O ZINC001608867886 1164665800 /nfs/dbraw/zinc/66/58/00/1164665800.db2.gz RJAXAMWFGXAFCM-JTQLQIEISA-N -1 1 288.307 1.307 20 0 CDADMM O=C([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])s1 ZINC001608882312 1164672451 /nfs/dbraw/zinc/67/24/51/1164672451.db2.gz PISGNHYGNPZXCU-SECBINFHSA-N -1 1 269.322 1.885 20 0 CDADMM O=S(=O)([N-]c1ccc(CO)cc1)c1ccccc1 ZINC000006416348 1164686079 /nfs/dbraw/zinc/68/60/79/1164686079.db2.gz NJYQEVYFSKGUAQ-UHFFFAOYSA-N -1 1 263.318 1.980 20 0 CDADMM O=C([O-])c1coc(CN2CCC(N3CN=NC3=O)CC2)c1 ZINC001608987612 1164709009 /nfs/dbraw/zinc/70/90/09/1164709009.db2.gz SVKLMVJEAZQRME-UHFFFAOYSA-N -1 1 292.295 1.112 20 0 CDADMM CC(C)[C@H]1C[C@H](Nc2ncncc2-c2nn[n-]n2)CCO1 ZINC001609091502 1164766683 /nfs/dbraw/zinc/76/66/83/1164766683.db2.gz QPMJXGRYUMEISX-MWLCHTKSSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)[C@H]1C[C@@H](Nc2cccnc2-c2nnn[n-]2)CCO1 ZINC001609091913 1164767139 /nfs/dbraw/zinc/76/71/39/1164767139.db2.gz XDHKPWZCNGMGEU-CMPLNLGQSA-N -1 1 288.355 1.877 20 0 CDADMM CC(C)[C@H]1C[C@@H](Nc2cccnc2-c2nn[n-]n2)CCO1 ZINC001609091913 1164767142 /nfs/dbraw/zinc/76/71/42/1164767142.db2.gz XDHKPWZCNGMGEU-CMPLNLGQSA-N -1 1 288.355 1.877 20 0 CDADMM C[C@H]1C[C@H](C)N(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001609154048 1164802896 /nfs/dbraw/zinc/80/28/96/1164802896.db2.gz IRFVQWNVLNLPHZ-IUCAKERBSA-N -1 1 272.312 1.132 20 0 CDADMM C[C@H]1C[C@H](C)N(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001609154048 1164802900 /nfs/dbraw/zinc/80/29/00/1164802900.db2.gz IRFVQWNVLNLPHZ-IUCAKERBSA-N -1 1 272.312 1.132 20 0 CDADMM CC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H](CC)O1 ZINC001609202175 1164842556 /nfs/dbraw/zinc/84/25/56/1164842556.db2.gz BBCFRHZZKOCSNY-AOOOYVTPSA-N -1 1 289.343 1.051 20 0 CDADMM CC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H](CC)O1 ZINC001609202175 1164842559 /nfs/dbraw/zinc/84/25/59/1164842559.db2.gz BBCFRHZZKOCSNY-AOOOYVTPSA-N -1 1 289.343 1.051 20 0 CDADMM CC/C=C\CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609203271 1164843130 /nfs/dbraw/zinc/84/31/30/1164843130.db2.gz FHNZYDDHUTVLJO-ARJAWSKDSA-N -1 1 263.326 1.624 20 0 CDADMM CCN(Cc1ccncc1)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609225673 1164855886 /nfs/dbraw/zinc/85/58/86/1164855886.db2.gz WKBUTHXLBOQHIW-UHFFFAOYSA-N -1 1 298.306 1.517 20 0 CDADMM CCN(Cc1ccncc1)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609225673 1164855896 /nfs/dbraw/zinc/85/58/96/1164855896.db2.gz WKBUTHXLBOQHIW-UHFFFAOYSA-N -1 1 298.306 1.517 20 0 CDADMM CN(C(=O)c1ccnc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001609263018 1164870807 /nfs/dbraw/zinc/87/08/07/1164870807.db2.gz LGOZEZUMTQWSRO-UHFFFAOYSA-N -1 1 286.339 1.666 20 0 CDADMM CN(C(=O)c1ccnc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001609263018 1164870813 /nfs/dbraw/zinc/87/08/13/1164870813.db2.gz LGOZEZUMTQWSRO-UHFFFAOYSA-N -1 1 286.339 1.666 20 0 CDADMM C[C@H]1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001609376052 1164917679 /nfs/dbraw/zinc/91/76/79/1164917679.db2.gz LIULRLKFGCOZII-KYZUINATSA-N -1 1 275.312 1.768 20 0 CDADMM C[C@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001609376052 1164917688 /nfs/dbraw/zinc/91/76/88/1164917688.db2.gz LIULRLKFGCOZII-KYZUINATSA-N -1 1 275.312 1.768 20 0 CDADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2ccn(C(C)C)n2)c1 ZINC001609386814 1164920592 /nfs/dbraw/zinc/92/05/92/1164920592.db2.gz XHWWFOXVTSZQCF-UHFFFAOYSA-N -1 1 299.338 1.163 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H](C)c2cccnc2)n1 ZINC001609391329 1164922431 /nfs/dbraw/zinc/92/24/31/1164922431.db2.gz DQQXOZJXPKMFSM-JTQLQIEISA-N -1 1 296.338 1.558 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H](C)c2cccnc2)n1 ZINC001609391329 1164922437 /nfs/dbraw/zinc/92/24/37/1164922437.db2.gz DQQXOZJXPKMFSM-JTQLQIEISA-N -1 1 296.338 1.558 20 0 CDADMM Cc1cc(N(C)[C@H](CO)CC(C)C)cc(-c2nnn[n-]2)n1 ZINC001609404241 1164931766 /nfs/dbraw/zinc/93/17/66/1164931766.db2.gz LLVHERYRFZPRCC-LBPRGKRZSA-N -1 1 290.371 1.413 20 0 CDADMM Cc1cc(N(C)[C@H](CO)CC(C)C)cc(-c2nn[n-]n2)n1 ZINC001609404241 1164931769 /nfs/dbraw/zinc/93/17/69/1164931769.db2.gz LLVHERYRFZPRCC-LBPRGKRZSA-N -1 1 290.371 1.413 20 0 CDADMM Cc1cc(NC[C@@H](O)c2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001609409586 1164934669 /nfs/dbraw/zinc/93/46/69/1164934669.db2.gz PBCYZHXEDDSHTI-CQSZACIVSA-N -1 1 296.334 1.716 20 0 CDADMM Cc1cc(NC[C@@H](O)c2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001609409586 1164934678 /nfs/dbraw/zinc/93/46/78/1164934678.db2.gz PBCYZHXEDDSHTI-CQSZACIVSA-N -1 1 296.334 1.716 20 0 CDADMM Cc1ccc(NCCc2ccco2)nc1-c1nnn[n-]1 ZINC001609426141 1164943734 /nfs/dbraw/zinc/94/37/34/1164943734.db2.gz FWMVRSKQFJQZAL-UHFFFAOYSA-N -1 1 270.296 1.818 20 0 CDADMM Cc1ccc(NCCc2ccco2)nc1-c1nn[n-]n1 ZINC001609426141 1164943744 /nfs/dbraw/zinc/94/37/44/1164943744.db2.gz FWMVRSKQFJQZAL-UHFFFAOYSA-N -1 1 270.296 1.818 20 0 CDADMM Cc1nn(C)c(C)c1CNc1cccnc1-c1nnn[n-]1 ZINC001609458914 1164958734 /nfs/dbraw/zinc/95/87/34/1164958734.db2.gz ZYWQJMUQFHCEEP-UHFFFAOYSA-N -1 1 284.327 1.224 20 0 CDADMM Cc1nn(C)c(C)c1CNc1cccnc1-c1nn[n-]n1 ZINC001609458914 1164958737 /nfs/dbraw/zinc/95/87/37/1164958737.db2.gz ZYWQJMUQFHCEEP-UHFFFAOYSA-N -1 1 284.327 1.224 20 0 CDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CC2(C)CCCC2)n1 ZINC001609477280 1164967772 /nfs/dbraw/zinc/96/77/72/1164967772.db2.gz KTPSEZJJCDFTCX-UHFFFAOYSA-N -1 1 289.343 1.509 20 0 CDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CC2(C)CCCC2)n1 ZINC001609477280 1164967780 /nfs/dbraw/zinc/96/77/80/1164967780.db2.gz KTPSEZJJCDFTCX-UHFFFAOYSA-N -1 1 289.343 1.509 20 0 CDADMM Fc1ccc(OC/C=C\Cl)c(-c2nn[n-]n2)n1 ZINC001609491097 1164974604 /nfs/dbraw/zinc/97/46/04/1164974604.db2.gz DBKDZVACLAZXBS-RJRFIUFISA-N -1 1 255.640 1.532 20 0 CDADMM O=C(OC[C@@H]1CC=CCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001609573893 1164994627 /nfs/dbraw/zinc/99/46/27/1164994627.db2.gz VQULBQBDRCVPPW-SNVBAGLBSA-N -1 1 285.307 1.775 20 0 CDADMM O=C(OC[C@@H]1CC=CCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001609573893 1164994632 /nfs/dbraw/zinc/99/46/32/1164994632.db2.gz VQULBQBDRCVPPW-SNVBAGLBSA-N -1 1 285.307 1.775 20 0 CDADMM c1cnc(N2CCCC3(CCCC3)C2)c(-c2nnn[n-]2)n1 ZINC001609619345 1165014001 /nfs/dbraw/zinc/01/40/01/1165014001.db2.gz NKWWQPRCYAVGKO-UHFFFAOYSA-N -1 1 285.355 1.817 20 0 CDADMM c1cnc(N2CCCC3(CCCC3)C2)c(-c2nn[n-]n2)n1 ZINC001609619345 1165014005 /nfs/dbraw/zinc/01/40/05/1165014005.db2.gz NKWWQPRCYAVGKO-UHFFFAOYSA-N -1 1 285.355 1.817 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NCCCC1CCOCC1 ZINC001609620934 1165018495 /nfs/dbraw/zinc/01/84/95/1165018495.db2.gz JTDDABZIICHTMA-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NCCCC1CCOCC1 ZINC001609620934 1165018506 /nfs/dbraw/zinc/01/85/06/1165018506.db2.gz JTDDABZIICHTMA-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM C[C@@]1(C(=O)[O-])CCCN(Cn2cc3[nH]cccc-3c2=O)C1 ZINC001609812015 1165090581 /nfs/dbraw/zinc/09/05/81/1165090581.db2.gz XZXHNZRJHVZRNU-OAHLLOKOSA-N -1 1 289.335 1.182 20 0 CDADMM C[C@@H]1CN(C(=O)[C@]2(C)CC2(F)F)CCN1CCC(=O)[O-] ZINC001609864504 1165120889 /nfs/dbraw/zinc/12/08/89/1165120889.db2.gz PPGWOSFVBCOSIJ-SKDRFNHKSA-N -1 1 290.310 1.039 20 0 CDADMM CN(C)C(=O)C1CCN(Cc2ccc(C(=O)[O-])cn2)CC1 ZINC001610095074 1165215148 /nfs/dbraw/zinc/21/51/48/1165215148.db2.gz URRXGENXAMEYIY-UHFFFAOYSA-N -1 1 291.351 1.080 20 0 CDADMM COC(=O)[C@H]1C[C@@H](C)CCN1CC1(CC(=O)[O-])CC1 ZINC001610171597 1165243569 /nfs/dbraw/zinc/24/35/69/1165243569.db2.gz YSHSBARKMUTFIO-WDEREUQCSA-N -1 1 269.341 1.515 20 0 CDADMM Cc1c(C(=O)NCCC(C)(C)C(=O)[O-])ccc2cncn21 ZINC001610408403 1165309802 /nfs/dbraw/zinc/30/98/02/1165309802.db2.gz LUKVAMJLZLUGTI-UHFFFAOYSA-N -1 1 289.335 1.873 20 0 CDADMM Cc1cc(F)ccc1CN[C@H](C(=O)[O-])c1ccnn1C ZINC001610466272 1165323337 /nfs/dbraw/zinc/32/33/37/1165323337.db2.gz PBUKWFWHDNORMV-ZDUSSCGKSA-N -1 1 277.299 1.783 20 0 CDADMM O=C([O-])c1occc1C[N@H+]1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001610872524 1165469979 /nfs/dbraw/zinc/46/99/79/1165469979.db2.gz FAEGAXNRIMTCSB-SECBINFHSA-N -1 1 292.295 1.181 20 0 CDADMM Cn1cc(Oc2ccccc2C(=O)Nc2c[n-][nH]c2=O)cn1 ZINC001611379764 1165490388 /nfs/dbraw/zinc/49/03/88/1165490388.db2.gz JODMXAAKVUIZND-UHFFFAOYSA-N -1 1 299.290 1.893 20 0 CDADMM Cc1nc[nH]c1C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC001627164941 1165980567 /nfs/dbraw/zinc/98/05/67/1165980567.db2.gz MIPZAXGVYAEWKT-UHFFFAOYSA-N -1 1 284.279 1.461 20 0 CDADMM O=C(Nc1ccc2nncn2c1)c1c(F)ccc([O-])c1F ZINC001631431867 1166276093 /nfs/dbraw/zinc/27/60/93/1166276093.db2.gz LMQDBABSUXWGIZ-UHFFFAOYSA-N -1 1 290.229 1.965 20 0 CDADMM Cn1c(=O)ccc2ccc(NC(=O)c3ccc([O-])cn3)cc21 ZINC001634132784 1166472375 /nfs/dbraw/zinc/47/23/75/1166472375.db2.gz QFNUBZHDBFPGQQ-UHFFFAOYSA-N -1 1 295.298 1.891 20 0 CDADMM O=C(NCc1cnc(Cl)cn1)c1ccc([O-])cn1 ZINC001637387562 1166751821 /nfs/dbraw/zinc/75/18/21/1166751821.db2.gz DUWSENFZQFOAAL-UHFFFAOYSA-N -1 1 264.672 1.161 20 0 CDADMM Cc1nc(CNC(=O)c2cc(F)cc(F)c2[O-])n[nH]1 ZINC001640093259 1166995472 /nfs/dbraw/zinc/99/54/72/1166995472.db2.gz GSYKXZZNXROVBW-UHFFFAOYSA-N -1 1 268.223 1.027 20 0 CDADMM CN(C(=O)c1cccc(-c2cnco2)c1)c1nn[n-]n1 ZINC001641462399 1167109790 /nfs/dbraw/zinc/10/97/90/1167109790.db2.gz RXZWCCZMVSVNIJ-UHFFFAOYSA-N -1 1 270.252 1.131 20 0 CDADMM CC(C)(O)[C@H](F)CNC(=O)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155276257 1167114353 /nfs/dbraw/zinc/11/43/53/1167114353.db2.gz OUTAHGKDMPFURF-SNVBAGLBSA-N -1 1 281.287 1.107 20 0 CDADMM O=C(COC(=O)c1ccc(F)cn1)c1ccc([O-])cc1O ZINC001645670824 1167458456 /nfs/dbraw/zinc/45/84/56/1167458456.db2.gz IENDSCJKPHXWPW-UHFFFAOYSA-N -1 1 291.234 1.672 20 0 CDADMM O=C(C=Cc1ccc[nH]1)OCC(=O)c1ccc([O-])cc1O ZINC001320526300 1167461462 /nfs/dbraw/zinc/46/14/62/1167461462.db2.gz UDEWAGCDRVHZQI-UTCJRWHESA-N -1 1 287.271 1.865 20 0 CDADMM CCN(C[C@H]1CCOC1)C(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001346319458 1167489716 /nfs/dbraw/zinc/48/97/16/1167489716.db2.gz SZGUNSAYIBEHPH-SECBINFHSA-N -1 1 297.380 1.278 20 0 CDADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CO[C@@H](C)C1 ZINC001647246545 1168487539 /nfs/dbraw/zinc/48/75/39/1168487539.db2.gz JXFHZXHUHMQGIK-POYBYMJQSA-N -1 1 283.353 1.120 20 0 CDADMM CCc1nocc1C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001647947114 1169082312 /nfs/dbraw/zinc/08/23/12/1169082312.db2.gz FOMQMXPUTFDZSX-GFCCVEGCSA-N -1 1 298.306 1.270 20 0 CDADMM O=C(Nc1ncccc1CO)c1ccc(F)c([O-])c1 ZINC001648153465 1169102798 /nfs/dbraw/zinc/10/27/98/1169102798.db2.gz SKUZGRBGGKUGFS-UHFFFAOYSA-N -1 1 262.240 1.671 20 0 CDADMM C[C@@H]1C[N@@H+](CCC2SCCS2)C[C@H](C(=O)[O-])O1 ZINC001650145282 1169750085 /nfs/dbraw/zinc/75/00/85/1169750085.db2.gz DSEYKSMRFOBRMD-RKDXNWHRSA-N -1 1 277.411 1.357 20 0 CDADMM C[C@@H]1CN(CCC2SCCS2)C[C@H](C(=O)[O-])O1 ZINC001650145282 1169750095 /nfs/dbraw/zinc/75/00/95/1169750095.db2.gz DSEYKSMRFOBRMD-RKDXNWHRSA-N -1 1 277.411 1.357 20 0 CDADMM O=C(NCc1nc2ccccc2c(=O)[nH]1)c1ccc([O-])cn1 ZINC001569957904 1170046710 /nfs/dbraw/zinc/04/67/10/1170046710.db2.gz VEGPYEJAMUWMQL-UHFFFAOYSA-N -1 1 296.286 1.366 20 0 CDADMM C[C@H](N[C@H]1CCC12CCCC2)c1nc(C(=O)[O-])n[nH]1 ZINC001573570688 1170694367 /nfs/dbraw/zinc/69/43/67/1170694367.db2.gz DDXGHCSJOLKHTL-IUCAKERBSA-N -1 1 264.329 1.876 20 0 CDADMM CO[C@H]1CCC[C@@H]1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001650243537 1170881070 /nfs/dbraw/zinc/88/10/70/1170881070.db2.gz YJTRXIDGBCHFKT-CABZTGNLSA-N -1 1 274.324 1.095 20 0 CDADMM O=C([O-])C[C@H]1CCCN1Cc1nc(CO)cs1 ZINC001574361427 1170958000 /nfs/dbraw/zinc/95/80/00/1170958000.db2.gz HXSJPPVMVVPHAK-SECBINFHSA-N -1 1 256.327 1.075 20 0 CDADMM O=C([O-])C[C@@H](NC(=O)c1[nH]ncc1F)c1ccccc1 ZINC001574372483 1170961728 /nfs/dbraw/zinc/96/17/28/1170961728.db2.gz SVOINXONIXYUNU-SNVBAGLBSA-N -1 1 277.255 1.495 20 0 CDADMM CC(C)CO[N-]C(=O)[C@H]1NCCOc2ccccc21 ZINC001575612234 1171220484 /nfs/dbraw/zinc/22/04/84/1171220484.db2.gz HBPSBFAVQDSTNS-ZDUSSCGKSA-N -1 1 264.325 1.414 20 0 CDADMM COc1ncc(NC(=O)c2[nH]ccc2C)cc1-c1nn[n-]n1 ZINC001580139041 1172359200 /nfs/dbraw/zinc/35/92/00/1172359200.db2.gz YJWWKPQLUXBPPL-UHFFFAOYSA-N -1 1 299.294 1.159 20 0 CDADMM Cc1nn(C[C@H]2C[C@H]3C=C[C@@H]2C3)c(=O)c(-c2nn[n-]n2)c1C ZINC001581603627 1172617246 /nfs/dbraw/zinc/61/72/46/1172617246.db2.gz CTLJMNGAYYQLPJ-QJPTWQEYSA-N -1 1 298.350 1.252 20 0 CDADMM C[C@H](C(=O)OCc1cccnc1-c1nnn[n-]1)C(C)(C)C ZINC001589031177 1173119583 /nfs/dbraw/zinc/11/95/83/1173119583.db2.gz UUZLJEYKWHEPCM-SECBINFHSA-N -1 1 289.339 1.987 20 0 CDADMM C[C@H](C(=O)OCc1cccnc1-c1nn[n-]n1)C(C)(C)C ZINC001589031177 1173119588 /nfs/dbraw/zinc/11/95/88/1173119588.db2.gz UUZLJEYKWHEPCM-SECBINFHSA-N -1 1 289.339 1.987 20 0 CDADMM CC(C)(C)CC[C@@H](CO)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589118325 1173123907 /nfs/dbraw/zinc/12/39/07/1173123907.db2.gz BXSJFZKDEQKFOF-JTQLQIEISA-N -1 1 290.371 1.861 20 0 CDADMM CC(C)(C)CC[C@@H](CO)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589118325 1173123914 /nfs/dbraw/zinc/12/39/14/1173123914.db2.gz BXSJFZKDEQKFOF-JTQLQIEISA-N -1 1 290.371 1.861 20 0 CDADMM CC(C)(C)[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589104952 1173124250 /nfs/dbraw/zinc/12/42/50/1173124250.db2.gz KVNNFBFGRGZYLH-JTQLQIEISA-N -1 1 275.312 1.720 20 0 CDADMM CC(C)(C)[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589104952 1173124254 /nfs/dbraw/zinc/12/42/54/1173124254.db2.gz KVNNFBFGRGZYLH-JTQLQIEISA-N -1 1 275.312 1.720 20 0 CDADMM CC(C)(C)C(F)(F)CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589092876 1173124375 /nfs/dbraw/zinc/12/43/75/1173124375.db2.gz PWCYSCYDEZMSAB-UHFFFAOYSA-N -1 1 299.281 1.871 20 0 CDADMM CC(C)(C)C(F)(F)CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589092876 1173124381 /nfs/dbraw/zinc/12/43/81/1173124381.db2.gz PWCYSCYDEZMSAB-UHFFFAOYSA-N -1 1 299.281 1.871 20 0 CDADMM CC(C)(C)C[C@@H]1C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001589132760 1173127314 /nfs/dbraw/zinc/12/73/14/1173127314.db2.gz KHXUCAYBWBURFH-DTWKUNHWSA-N -1 1 273.344 1.893 20 0 CDADMM CC(C)(C)C[C@@H]1C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001589132760 1173127316 /nfs/dbraw/zinc/12/73/16/1173127316.db2.gz KHXUCAYBWBURFH-DTWKUNHWSA-N -1 1 273.344 1.893 20 0 CDADMM CC(C)(C)c1ccc(CNc2ccnc(-c3nn[n-]n3)n2)o1 ZINC001589226811 1173130480 /nfs/dbraw/zinc/13/04/80/1173130480.db2.gz FBIBWEXVGMMZLX-UHFFFAOYSA-N -1 1 299.338 1.581 20 0 CDADMM CC(C)[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)ncn2)CCO1 ZINC001589501470 1173150942 /nfs/dbraw/zinc/15/09/42/1173150942.db2.gz ZVCZQWWXUQUDFA-KOLCDFICSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)ncn2)CCO1 ZINC001589501470 1173150947 /nfs/dbraw/zinc/15/09/47/1173150947.db2.gz ZVCZQWWXUQUDFA-KOLCDFICSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)OCCCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589748068 1173173654 /nfs/dbraw/zinc/17/36/54/1173173654.db2.gz NQFRKFKQLHNOKR-UHFFFAOYSA-N -1 1 295.368 1.473 20 0 CDADMM CC(C)OCCON=c1ccc(-c2nn[n-]n2)c[nH]1 ZINC001589748940 1173174149 /nfs/dbraw/zinc/17/41/49/1173174149.db2.gz MNQMUBRSSNLOMU-UHFFFAOYSA-N -1 1 264.289 1.030 20 0 CDADMM CC(C)c1ocnc1Cn1cccc(-c2nn[n-]n2)c1=O ZINC001589780427 1173180230 /nfs/dbraw/zinc/18/02/30/1173180230.db2.gz LNGFZWNWYPWNPS-UHFFFAOYSA-N -1 1 286.295 1.188 20 0 CDADMM C[C@@H](Cc1ccccn1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589902145 1173198103 /nfs/dbraw/zinc/19/81/03/1173198103.db2.gz ZAXFWLHTPAJAIL-JTQLQIEISA-N -1 1 281.323 1.122 20 0 CDADMM C[C@@H](Cc1ccccn1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589902145 1173198107 /nfs/dbraw/zinc/19/81/07/1173198107.db2.gz ZAXFWLHTPAJAIL-JTQLQIEISA-N -1 1 281.323 1.122 20 0 CDADMM C[C@H](Cc1ccco1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589902709 1173198721 /nfs/dbraw/zinc/19/87/21/1173198721.db2.gz JBTLQLGYMZJSSK-SECBINFHSA-N -1 1 270.296 1.320 20 0 CDADMM C[C@H](Cc1ccco1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589902709 1173198726 /nfs/dbraw/zinc/19/87/26/1173198726.db2.gz JBTLQLGYMZJSSK-SECBINFHSA-N -1 1 270.296 1.320 20 0 CDADMM C[C@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccccn1 ZINC001589946838 1173210145 /nfs/dbraw/zinc/21/01/45/1173210145.db2.gz LYHMBZKZVJRCFL-VIFPVBQESA-N -1 1 295.306 1.148 20 0 CDADMM C[C@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccccn1 ZINC001589946838 1173210150 /nfs/dbraw/zinc/21/01/50/1173210150.db2.gz LYHMBZKZVJRCFL-VIFPVBQESA-N -1 1 295.306 1.148 20 0 CDADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1csnn1 ZINC001589984629 1173220735 /nfs/dbraw/zinc/22/07/35/1173220735.db2.gz RQKMDFTUNVGJHD-ZCFIWIBFSA-N -1 1 274.313 1.286 20 0 CDADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1csnn1 ZINC001589984629 1173220738 /nfs/dbraw/zinc/22/07/38/1173220738.db2.gz RQKMDFTUNVGJHD-ZCFIWIBFSA-N -1 1 274.313 1.286 20 0 CDADMM C[C@@H](c1cccs1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001590050362 1173239920 /nfs/dbraw/zinc/23/99/20/1173239920.db2.gz KQEURJMLJUNKDF-QMMMGPOBSA-N -1 1 287.352 1.916 20 0 CDADMM C[C@@]1(C(=O)NCc2ccc(-c3nn[n-]n3)s2)C=CCC1 ZINC001590068375 1173243014 /nfs/dbraw/zinc/24/30/14/1173243014.db2.gz IYLBUBQCIVVNHZ-CYBMUJFWSA-N -1 1 289.364 1.901 20 0 CDADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]2CCC[C@@H]21 ZINC001590108490 1173259803 /nfs/dbraw/zinc/25/98/03/1173259803.db2.gz SVABSMCFNOWAPW-VHSXEESVSA-N -1 1 285.355 1.672 20 0 CDADMM CC1(NC(=O)Nc2cccc(-c3nnn[n-]3)n2)CC=CC1 ZINC001590144502 1173272637 /nfs/dbraw/zinc/27/26/37/1173272637.db2.gz BCWXFLQFCCXTIZ-UHFFFAOYSA-N -1 1 285.311 1.492 20 0 CDADMM CC1(NC(=O)Nc2cccc(-c3nn[n-]n3)n2)CC=CC1 ZINC001590144502 1173272642 /nfs/dbraw/zinc/27/26/42/1173272642.db2.gz BCWXFLQFCCXTIZ-UHFFFAOYSA-N -1 1 285.311 1.492 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC=C(C)C2)n1 ZINC001590159426 1173277329 /nfs/dbraw/zinc/27/73/29/1173277329.db2.gz DPAOMYPLNRLWJN-UHFFFAOYSA-N -1 1 257.301 1.122 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC=C(C)C2)n1 ZINC001590159426 1173277336 /nfs/dbraw/zinc/27/73/36/1173277336.db2.gz DPAOMYPLNRLWJN-UHFFFAOYSA-N -1 1 257.301 1.122 20 0 CDADMM CC1=CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590160805 1173278154 /nfs/dbraw/zinc/27/81/54/1173278154.db2.gz HIARMYIPOILIEA-UHFFFAOYSA-N -1 1 270.296 1.054 20 0 CDADMM CC1=CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590160805 1173278161 /nfs/dbraw/zinc/27/81/61/1173278161.db2.gz HIARMYIPOILIEA-UHFFFAOYSA-N -1 1 270.296 1.054 20 0 CDADMM CC1=CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001590162566 1173279160 /nfs/dbraw/zinc/27/91/60/1173279160.db2.gz ZHRKXGPYLSBVHR-UHFFFAOYSA-N -1 1 259.269 1.252 20 0 CDADMM CC1=CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001590162566 1173279166 /nfs/dbraw/zinc/27/91/66/1173279166.db2.gz ZHRKXGPYLSBVHR-UHFFFAOYSA-N -1 1 259.269 1.252 20 0 CDADMM CC1=NO[C@@H](CSc2cccnc2-c2nnn[n-]2)C1 ZINC001590162768 1173279670 /nfs/dbraw/zinc/27/96/70/1173279670.db2.gz NYJFRTCKXNALOD-MRVPVSSYSA-N -1 1 276.325 1.519 20 0 CDADMM CC1=NO[C@@H](CSc2cccnc2-c2nn[n-]n2)C1 ZINC001590162768 1173279674 /nfs/dbraw/zinc/27/96/74/1173279674.db2.gz NYJFRTCKXNALOD-MRVPVSSYSA-N -1 1 276.325 1.519 20 0 CDADMM C[C@H]1C[C@H](Nc2cccnc2-c2nnn[n-]2)CCO1 ZINC001590208554 1173292723 /nfs/dbraw/zinc/29/27/23/1173292723.db2.gz NYDQQDDZVISYMU-DTWKUNHWSA-N -1 1 260.301 1.241 20 0 CDADMM C[C@H]1C[C@H](Nc2cccnc2-c2nn[n-]n2)CCO1 ZINC001590208554 1173292727 /nfs/dbraw/zinc/29/27/27/1173292727.db2.gz NYDQQDDZVISYMU-DTWKUNHWSA-N -1 1 260.301 1.241 20 0 CDADMM C[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590226586 1173303778 /nfs/dbraw/zinc/30/37/78/1173303778.db2.gz DLLKFMNBQCSPPV-NXEZZACHSA-N -1 1 286.339 1.522 20 0 CDADMM C[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590226586 1173303784 /nfs/dbraw/zinc/30/37/84/1173303784.db2.gz DLLKFMNBQCSPPV-NXEZZACHSA-N -1 1 286.339 1.522 20 0 CDADMM C[C@@H]1CCC[C@H](C)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001590243978 1173313443 /nfs/dbraw/zinc/31/34/43/1173313443.db2.gz OQMVEVXQIUOBRM-VHSXEESVSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@H]1SCCN(C(=O)c2coc(-c3nnn[n-]3)c2)[C@H]1C ZINC001590339166 1173364617 /nfs/dbraw/zinc/36/46/17/1173364617.db2.gz WBEGCYMDHGGXPT-JGVFFNPUSA-N -1 1 293.352 1.426 20 0 CDADMM C[C@H]1SCCN(C(=O)c2coc(-c3nn[n-]n3)c2)[C@H]1C ZINC001590339166 1173364622 /nfs/dbraw/zinc/36/46/22/1173364622.db2.gz WBEGCYMDHGGXPT-JGVFFNPUSA-N -1 1 293.352 1.426 20 0 CDADMM C/C=C(/CC)C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001590350260 1173366725 /nfs/dbraw/zinc/36/67/25/1173366725.db2.gz PMWWFEJZVRDIOT-KMKOMSMNSA-N -1 1 298.350 1.897 20 0 CDADMM C/C=C(/CC)C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001590350260 1173366733 /nfs/dbraw/zinc/36/67/33/1173366733.db2.gz PMWWFEJZVRDIOT-KMKOMSMNSA-N -1 1 298.350 1.897 20 0 CDADMM CC[C@@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)[C@H](C)O ZINC001590474440 1173427568 /nfs/dbraw/zinc/42/75/68/1173427568.db2.gz IRJKUABWFWEYIK-CRCLSJGQSA-N -1 1 288.764 1.548 20 0 CDADMM CC[C@@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H](C)O ZINC001590474440 1173427574 /nfs/dbraw/zinc/42/75/74/1173427574.db2.gz IRJKUABWFWEYIK-CRCLSJGQSA-N -1 1 288.764 1.548 20 0 CDADMM CC[C@@H](c1ccncc1)N(C)c1cc(-c2nnn[n-]2)ncn1 ZINC001590482800 1173430347 /nfs/dbraw/zinc/43/03/47/1173430347.db2.gz DVIZBVMKUDVFPE-LBPRGKRZSA-N -1 1 296.338 1.639 20 0 CDADMM CC[C@@H](c1ccncc1)N(C)c1cc(-c2nn[n-]n2)ncn1 ZINC001590482800 1173430349 /nfs/dbraw/zinc/43/03/49/1173430349.db2.gz DVIZBVMKUDVFPE-LBPRGKRZSA-N -1 1 296.338 1.639 20 0 CDADMM CCC1(C(=O)n2ncc(-c3nn[n-]n3)c2N)CCCCC1 ZINC001590489347 1173432378 /nfs/dbraw/zinc/43/23/78/1173432378.db2.gz NRINWMUTMYLSHV-UHFFFAOYSA-N -1 1 289.343 1.646 20 0 CDADMM CCC1(NC(=O)c2cc(-c3nnn[n-]3)oc2C)CCC1 ZINC001590498476 1173438176 /nfs/dbraw/zinc/43/81/76/1173438176.db2.gz XLFQFGDXCGSTSG-UHFFFAOYSA-N -1 1 275.312 1.831 20 0 CDADMM CCC1(NC(=O)c2cc(-c3nn[n-]n3)oc2C)CCC1 ZINC001590498476 1173438178 /nfs/dbraw/zinc/43/81/78/1173438178.db2.gz XLFQFGDXCGSTSG-UHFFFAOYSA-N -1 1 275.312 1.831 20 0 CDADMM CC[C@H]1[C@H](C)CCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590503252 1173440326 /nfs/dbraw/zinc/44/03/26/1173440326.db2.gz YQHWPWNRFWGHLJ-KCJUWKMLSA-N -1 1 273.344 1.590 20 0 CDADMM CC[C@H]1[C@H](C)CCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590503252 1173440332 /nfs/dbraw/zinc/44/03/32/1173440332.db2.gz YQHWPWNRFWGHLJ-KCJUWKMLSA-N -1 1 273.344 1.590 20 0 CDADMM CC[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCCO1 ZINC001590521202 1173448337 /nfs/dbraw/zinc/44/83/37/1173448337.db2.gz LHQSYYNKNFSFIA-JTQLQIEISA-N -1 1 274.328 1.267 20 0 CDADMM CC[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCCO1 ZINC001590521202 1173448339 /nfs/dbraw/zinc/44/83/39/1173448339.db2.gz LHQSYYNKNFSFIA-JTQLQIEISA-N -1 1 274.328 1.267 20 0 CDADMM CCCC[C@@H](COC)Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001590581333 1173467892 /nfs/dbraw/zinc/46/78/92/1173467892.db2.gz DYBHYYYZQJUNAL-NSHDSACASA-N -1 1 290.371 1.609 20 0 CDADMM CCCC[C@@H](COC)Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001590581333 1173467895 /nfs/dbraw/zinc/46/78/95/1173467895.db2.gz DYBHYYYZQJUNAL-NSHDSACASA-N -1 1 290.371 1.609 20 0 CDADMM CCCCN(CCCO)c1ccnc(-c2nnn[n-]2)c1 ZINC001590601646 1173472635 /nfs/dbraw/zinc/47/26/35/1173472635.db2.gz VHBVFEAKWDWZEO-UHFFFAOYSA-N -1 1 276.344 1.251 20 0 CDADMM CCCCN(CCCO)c1ccnc(-c2nn[n-]n2)c1 ZINC001590601646 1173472640 /nfs/dbraw/zinc/47/26/40/1173472640.db2.gz VHBVFEAKWDWZEO-UHFFFAOYSA-N -1 1 276.344 1.251 20 0 CDADMM CCNC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001590745891 1173505068 /nfs/dbraw/zinc/50/50/68/1173505068.db2.gz XOCJAFRTUQDBKX-UHFFFAOYSA-N -1 1 286.217 1.030 20 0 CDADMM CCOCCCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590810963 1173519415 /nfs/dbraw/zinc/51/94/15/1173519415.db2.gz VYKBKPWGNHSWBD-UHFFFAOYSA-N -1 1 281.341 1.085 20 0 CDADMM CCOc1ccc(CNc2n[nH]cc2-c2nnn[n-]2)c(C)c1 ZINC001590836265 1173524620 /nfs/dbraw/zinc/52/46/20/1173524620.db2.gz RNSKZKWIJOADKQ-UHFFFAOYSA-N -1 1 299.338 1.909 20 0 CDADMM CCOc1ccc(CNc2n[nH]cc2-c2nn[n-]n2)c(C)c1 ZINC001590836265 1173524626 /nfs/dbraw/zinc/52/46/26/1173524626.db2.gz RNSKZKWIJOADKQ-UHFFFAOYSA-N -1 1 299.338 1.909 20 0 CDADMM CCc1nc(N[C@H]2CC23CCCC3)cc(-c2nnn[n-]2)n1 ZINC001590917081 1173541635 /nfs/dbraw/zinc/54/16/35/1173541635.db2.gz JBDMSGTZHMHFRM-JTQLQIEISA-N -1 1 285.355 1.964 20 0 CDADMM CCc1nc(N[C@H]2CC23CCCC3)cc(-c2nn[n-]n2)n1 ZINC001590917081 1173541640 /nfs/dbraw/zinc/54/16/40/1173541640.db2.gz JBDMSGTZHMHFRM-JTQLQIEISA-N -1 1 285.355 1.964 20 0 CDADMM CCc1nc(CSCc2ccc(-c3nnn[n-]3)o2)no1 ZINC001590913581 1173542433 /nfs/dbraw/zinc/54/24/33/1173542433.db2.gz BCJHGRQIRHWFBE-UHFFFAOYSA-N -1 1 292.324 1.839 20 0 CDADMM CCc1nc(CSCc2ccc(-c3nn[n-]n3)o2)no1 ZINC001590913581 1173542437 /nfs/dbraw/zinc/54/24/37/1173542437.db2.gz BCJHGRQIRHWFBE-UHFFFAOYSA-N -1 1 292.324 1.839 20 0 CDADMM CCn1nc(C)cc1-c1cc(C)nc(-c2nnn[n-]2)c1 ZINC001590965618 1173552083 /nfs/dbraw/zinc/55/20/83/1173552083.db2.gz BTPHCHQWWZFNPD-UHFFFAOYSA-N -1 1 269.312 1.762 20 0 CDADMM CCn1nc(C)cc1-c1cc(C)nc(-c2nn[n-]n2)c1 ZINC001590965618 1173552093 /nfs/dbraw/zinc/55/20/93/1173552093.db2.gz BTPHCHQWWZFNPD-UHFFFAOYSA-N -1 1 269.312 1.762 20 0 CDADMM CN(CCCCCO)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591065820 1173568845 /nfs/dbraw/zinc/56/88/45/1173568845.db2.gz CGFMLEYVELZNOT-UHFFFAOYSA-N -1 1 295.368 1.163 20 0 CDADMM CO[C@@H]1CC[C@@H](C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001591347375 1173620386 /nfs/dbraw/zinc/62/03/86/1173620386.db2.gz FNRLVDXDTVZAGW-RKDXNWHRSA-N -1 1 288.311 1.015 20 0 CDADMM CO[C@@H]1CC[C@@H](C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001591347375 1173620390 /nfs/dbraw/zinc/62/03/90/1173620390.db2.gz FNRLVDXDTVZAGW-RKDXNWHRSA-N -1 1 288.311 1.015 20 0 CDADMM CO[C@H]1C[C@H](Nc2ccc(C)nc2-c2nnn[n-]2)C1(C)C ZINC001591349002 1173622951 /nfs/dbraw/zinc/62/29/51/1173622951.db2.gz BWUXUJWKHSWJEF-QWRGUYRKSA-N -1 1 288.355 1.796 20 0 CDADMM CO[C@H]1C[C@H](Nc2ccc(C)nc2-c2nn[n-]n2)C1(C)C ZINC001591349002 1173622953 /nfs/dbraw/zinc/62/29/53/1173622953.db2.gz BWUXUJWKHSWJEF-QWRGUYRKSA-N -1 1 288.355 1.796 20 0 CDADMM COCC(C)(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001591368707 1173630356 /nfs/dbraw/zinc/63/03/56/1173630356.db2.gz CFDGRDJUXDWTSG-UHFFFAOYSA-N -1 1 277.332 1.131 20 0 CDADMM COCC(C)(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001591368707 1173630359 /nfs/dbraw/zinc/63/03/59/1173630359.db2.gz CFDGRDJUXDWTSG-UHFFFAOYSA-N -1 1 277.332 1.131 20 0 CDADMM COC[C@@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001591452404 1173651787 /nfs/dbraw/zinc/65/17/87/1173651787.db2.gz OLOGRNBMVZKJRE-SCSAIBSYSA-N -1 1 274.737 1.423 20 0 CDADMM COC[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591452404 1173651791 /nfs/dbraw/zinc/65/17/91/1173651791.db2.gz OLOGRNBMVZKJRE-SCSAIBSYSA-N -1 1 274.737 1.423 20 0 CDADMM COCc1cccc(COc2cccnc2-c2nnn[n-]2)c1 ZINC001591458216 1173654538 /nfs/dbraw/zinc/65/45/38/1173654538.db2.gz RKQDZFVGMOGTRK-UHFFFAOYSA-N -1 1 297.318 1.987 20 0 CDADMM COCc1cccc(COc2cccnc2-c2nn[n-]n2)c1 ZINC001591458216 1173654540 /nfs/dbraw/zinc/65/45/40/1173654540.db2.gz RKQDZFVGMOGTRK-UHFFFAOYSA-N -1 1 297.318 1.987 20 0 CDADMM CO[C@H]1CCCC[C@@H]1Nc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001591474413 1173658911 /nfs/dbraw/zinc/65/89/11/1173658911.db2.gz IXFLSLPILSJQSM-QWRGUYRKSA-N -1 1 288.355 1.940 20 0 CDADMM CO[C@H]1CCCC[C@@H]1Nc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001591474413 1173658914 /nfs/dbraw/zinc/65/89/14/1173658914.db2.gz IXFLSLPILSJQSM-QWRGUYRKSA-N -1 1 288.355 1.940 20 0 CDADMM COc1c(-c2nn[n-]n2)ccc(=O)n1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC001591473414 1173659476 /nfs/dbraw/zinc/65/94/76/1173659476.db2.gz DESQQPAZLUYUCY-ILWJIGKKSA-N -1 1 287.323 1.083 20 0 CDADMM COc1ccc(CNc2cccnc2-c2nnn[n-]2)cc1O ZINC001591602190 1173674273 /nfs/dbraw/zinc/67/42/73/1173674273.db2.gz IAWBSNVWQRLTQP-UHFFFAOYSA-N -1 1 298.306 1.588 20 0 CDADMM COc1ccc(CNc2cccnc2-c2nn[n-]n2)cc1O ZINC001591602190 1173674276 /nfs/dbraw/zinc/67/42/76/1173674276.db2.gz IAWBSNVWQRLTQP-UHFFFAOYSA-N -1 1 298.306 1.588 20 0 CDADMM COc1ccc(Oc2cc(-c3nnn[n-]3)nc(C)n2)cn1 ZINC001591621472 1173676146 /nfs/dbraw/zinc/67/61/46/1173676146.db2.gz RQZYNZAJHWSLPF-UHFFFAOYSA-N -1 1 285.267 1.161 20 0 CDADMM COc1ccc(Oc2cc(-c3nn[n-]n3)nc(C)n2)cn1 ZINC001591621472 1173676152 /nfs/dbraw/zinc/67/61/52/1173676152.db2.gz RQZYNZAJHWSLPF-UHFFFAOYSA-N -1 1 285.267 1.161 20 0 CDADMM COc1cccc2c1CN(Cc1ccc(-c3nnn[n-]3)o1)C2 ZINC001591643967 1173676552 /nfs/dbraw/zinc/67/65/52/1173676552.db2.gz YOWPBOUDCXLNKI-UHFFFAOYSA-N -1 1 297.318 1.984 20 0 CDADMM COc1cccc2c1CN(Cc1ccc(-c3nn[n-]n3)o1)C2 ZINC001591643967 1173676556 /nfs/dbraw/zinc/67/65/56/1173676556.db2.gz YOWPBOUDCXLNKI-UHFFFAOYSA-N -1 1 297.318 1.984 20 0 CDADMM C[S@@](=O)CCSc1cccc(F)c1-c1nn[n-]n1 ZINC001591683969 1173678753 /nfs/dbraw/zinc/67/87/53/1173678753.db2.gz JJSNZESLUBOYIV-GOSISDBHSA-N -1 1 286.357 1.476 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCOC[C@H](C)C2)c1 ZINC001591888800 1173738619 /nfs/dbraw/zinc/73/86/19/1173738619.db2.gz OLWUMPBBZYMIKQ-SNVBAGLBSA-N -1 1 274.328 1.043 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCOC[C@H](C)C2)c1 ZINC001591888800 1173738624 /nfs/dbraw/zinc/73/86/24/1173738624.db2.gz OLWUMPBBZYMIKQ-SNVBAGLBSA-N -1 1 274.328 1.043 20 0 CDADMM Cc1nn(C)cc1[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001591891274 1173741939 /nfs/dbraw/zinc/74/19/39/1173741939.db2.gz RUYPRFPVNMWNFG-QMMMGPOBSA-N -1 1 299.342 1.180 20 0 CDADMM Cc1nn(C)cc1[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001591891274 1173741945 /nfs/dbraw/zinc/74/19/45/1173741945.db2.gz RUYPRFPVNMWNFG-QMMMGPOBSA-N -1 1 299.342 1.180 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC2(C(F)F)CCCC2)n1 ZINC001591892203 1173742575 /nfs/dbraw/zinc/74/25/75/1173742575.db2.gz PFKJZMOSXJCEKD-UHFFFAOYSA-N -1 1 295.297 1.955 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC2(C(F)F)CCCC2)n1 ZINC001591892203 1173742580 /nfs/dbraw/zinc/74/25/80/1173742580.db2.gz PFKJZMOSXJCEKD-UHFFFAOYSA-N -1 1 295.297 1.955 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)C[C@H]2CCOC2)n1 ZINC001591891197 1173742856 /nfs/dbraw/zinc/74/28/56/1173742856.db2.gz XDVPSOTVUQNRHK-WCBMZHEXSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)C[C@H]2CCOC2)n1 ZINC001591891197 1173742861 /nfs/dbraw/zinc/74/28/61/1173742861.db2.gz XDVPSOTVUQNRHK-WCBMZHEXSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1cc(N2C[C@@H](C)[C@](C)(CO)C2)cc(-c2nnn[n-]2)n1 ZINC001591999521 1173770246 /nfs/dbraw/zinc/77/02/46/1173770246.db2.gz PFOBOUQQDOIFHH-OTYXRUKQSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(N2C[C@@H](C)[C@](C)(CO)C2)cc(-c2nn[n-]n2)n1 ZINC001591999521 1173770249 /nfs/dbraw/zinc/77/02/49/1173770249.db2.gz PFOBOUQQDOIFHH-OTYXRUKQSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(N[C@@H]2C[C@H]3CCC[C@H]32)cc(-c2nnn[n-]2)n1 ZINC001592036383 1173779286 /nfs/dbraw/zinc/77/92/86/1173779286.db2.gz LGXMAICUCHJPOS-YUSALJHKSA-N -1 1 270.340 1.593 20 0 CDADMM Cc1cc(N[C@@H]2C[C@H]3CCC[C@H]32)cc(-c2nn[n-]n2)n1 ZINC001592036383 1173779290 /nfs/dbraw/zinc/77/92/90/1173779290.db2.gz LGXMAICUCHJPOS-YUSALJHKSA-N -1 1 270.340 1.593 20 0 CDADMM Cc1cc(NCC(C)(C)C(C)(C)O)nc(-c2nnn[n-]2)c1 ZINC001592039788 1173781890 /nfs/dbraw/zinc/78/18/90/1173781890.db2.gz XMZJTSIGXHFKJW-UHFFFAOYSA-N -1 1 290.371 1.779 20 0 CDADMM Cc1cc(NCC(C)(C)C(C)(C)O)nc(-c2nn[n-]n2)c1 ZINC001592039788 1173781900 /nfs/dbraw/zinc/78/19/00/1173781900.db2.gz XMZJTSIGXHFKJW-UHFFFAOYSA-N -1 1 290.371 1.779 20 0 CDADMM Cc1cc(NC[C@@H]2CC[C@H](O)C2)nc(-c2nnn[n-]2)c1 ZINC001592044957 1173785206 /nfs/dbraw/zinc/78/52/06/1173785206.db2.gz UMXKLGJOBHSCOF-ZJUUUORDSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cc(NC[C@@H]2CC[C@H](O)C2)nc(-c2nn[n-]n2)c1 ZINC001592044957 1173785210 /nfs/dbraw/zinc/78/52/10/1173785210.db2.gz UMXKLGJOBHSCOF-ZJUUUORDSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1ccc(COC(=O)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC001592168066 1173820974 /nfs/dbraw/zinc/82/09/74/1173820974.db2.gz UOWZCVXUJWDMNU-UHFFFAOYSA-N -1 1 295.302 1.927 20 0 CDADMM Cc1ccc(COC(=O)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC001592168066 1173820976 /nfs/dbraw/zinc/82/09/76/1173820976.db2.gz UOWZCVXUJWDMNU-UHFFFAOYSA-N -1 1 295.302 1.927 20 0 CDADMM Cc1ccc(N2CC[C@H]3COC[C@H]3C2)c(-c2nnn[n-]2)n1 ZINC001592177575 1173826138 /nfs/dbraw/zinc/82/61/38/1173826138.db2.gz BOBYHYICWLEQFI-WDEREUQCSA-N -1 1 286.339 1.043 20 0 CDADMM Cc1ccc(N2CC[C@H]3COC[C@H]3C2)c(-c2nn[n-]n2)n1 ZINC001592177575 1173826144 /nfs/dbraw/zinc/82/61/44/1173826144.db2.gz BOBYHYICWLEQFI-WDEREUQCSA-N -1 1 286.339 1.043 20 0 CDADMM Cc1ccc(N[C@@H]2CS[C@@H](C)C2)nc1-c1nn[n-]n1 ZINC001592183868 1173829469 /nfs/dbraw/zinc/82/94/69/1173829469.db2.gz LMKUUGGTNMOCAF-IUCAKERBSA-N -1 1 276.369 1.876 20 0 CDADMM Cc1ccc(N[C@@H]2CS[C@@H](C)C2)nc1-c1nnn[n-]1 ZINC001592183868 1173829466 /nfs/dbraw/zinc/82/94/66/1173829466.db2.gz LMKUUGGTNMOCAF-IUCAKERBSA-N -1 1 276.369 1.876 20 0 CDADMM Cc1ccc(NCCc2ccncc2C)c(-c2nnn[n-]2)n1 ZINC001592186422 1173830677 /nfs/dbraw/zinc/83/06/77/1173830677.db2.gz VAWHRZDNGZGVIK-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(NCCc2ccncc2C)c(-c2nn[n-]n2)n1 ZINC001592186422 1173830682 /nfs/dbraw/zinc/83/06/82/1173830682.db2.gz VAWHRZDNGZGVIK-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(Oc2nnccc2-c2nnn[n-]2)cn1 ZINC001592189048 1173830914 /nfs/dbraw/zinc/83/09/14/1173830914.db2.gz SLRYMBBZMYDMCC-UHFFFAOYSA-N -1 1 255.241 1.152 20 0 CDADMM Cc1ccc(Oc2nnccc2-c2nn[n-]n2)cn1 ZINC001592189048 1173830916 /nfs/dbraw/zinc/83/09/16/1173830916.db2.gz SLRYMBBZMYDMCC-UHFFFAOYSA-N -1 1 255.241 1.152 20 0 CDADMM Cc1[nH]nc(NC(=O)c2ccc(F)cc2)c1-c1nn[n-]n1 ZINC001592332218 1173856819 /nfs/dbraw/zinc/85/68/19/1173856819.db2.gz BJTYNLWKDKCVMT-UHFFFAOYSA-N -1 1 287.258 1.290 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N(C)CCC(C)C)n1 ZINC001592338921 1173858585 /nfs/dbraw/zinc/85/85/85/1173858585.db2.gz SQZMOBLURHSNPS-UHFFFAOYSA-N -1 1 261.333 1.447 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N(C)CCC(C)C)n1 ZINC001592338921 1173858589 /nfs/dbraw/zinc/85/85/89/1173858589.db2.gz SQZMOBLURHSNPS-UHFFFAOYSA-N -1 1 261.333 1.447 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]2c2ccccc2)n1 ZINC001592337079 1173859428 /nfs/dbraw/zinc/85/94/28/1173859428.db2.gz AMPZBRHCPRQGCT-CYBMUJFWSA-N -1 1 293.334 1.917 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]2c2ccccc2)n1 ZINC001592337079 1173859433 /nfs/dbraw/zinc/85/94/33/1173859433.db2.gz AMPZBRHCPRQGCT-CYBMUJFWSA-N -1 1 293.334 1.917 20 0 CDADMM Cc1nc(-c2noc(-c3ccc(-c4nn[n-]n4)o3)n2)co1 ZINC001592340520 1173861713 /nfs/dbraw/zinc/86/17/13/1173861713.db2.gz GZZJTMIUYBKQBV-UHFFFAOYSA-N -1 1 285.223 1.473 20 0 CDADMM Cc1nc(NCC2CC(F)(F)C2)cc(-c2nnn[n-]2)n1 ZINC001592387071 1173875999 /nfs/dbraw/zinc/87/59/99/1173875999.db2.gz BPMPCIJTQSJNMH-UHFFFAOYSA-N -1 1 281.270 1.422 20 0 CDADMM Cc1nc(NCC2CC(F)(F)C2)cc(-c2nn[n-]n2)n1 ZINC001592387071 1173876005 /nfs/dbraw/zinc/87/60/05/1173876005.db2.gz BPMPCIJTQSJNMH-UHFFFAOYSA-N -1 1 281.270 1.422 20 0 CDADMM Cc1nc(Sc2nnccc2-c2nn[n-]n2)sc1C ZINC001592399585 1173881348 /nfs/dbraw/zinc/88/13/48/1173881348.db2.gz NBPCIBUCDKIEEI-UHFFFAOYSA-N -1 1 291.365 1.881 20 0 CDADMM Cc1noc(C)c1C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001592456598 1173893303 /nfs/dbraw/zinc/89/33/03/1173893303.db2.gz IXHUWPUEIIPIDB-UHFFFAOYSA-N -1 1 289.251 1.422 20 0 CDADMM Cc1noc(C)c1C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001592456598 1173893314 /nfs/dbraw/zinc/89/33/14/1173893314.db2.gz IXHUWPUEIIPIDB-UHFFFAOYSA-N -1 1 289.251 1.422 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC1CCC(=O)CC1 ZINC001592498842 1173904034 /nfs/dbraw/zinc/90/40/34/1173904034.db2.gz GDMPOAUWDSLIAU-UHFFFAOYSA-N -1 1 289.295 1.010 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC1CCC(=O)CC1 ZINC001592498842 1173904035 /nfs/dbraw/zinc/90/40/35/1173904035.db2.gz GDMPOAUWDSLIAU-UHFFFAOYSA-N -1 1 289.295 1.010 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCCC2(CC2)C1 ZINC001592499377 1173906348 /nfs/dbraw/zinc/90/63/48/1173906348.db2.gz MCGJZFHHMMPKDE-UHFFFAOYSA-N -1 1 287.323 1.784 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCCC2(CC2)C1 ZINC001592499377 1173906353 /nfs/dbraw/zinc/90/63/53/1173906353.db2.gz MCGJZFHHMMPKDE-UHFFFAOYSA-N -1 1 287.323 1.784 20 0 CDADMM Clc1sc(N[C@H]2CCCOC2)nc1-c1nn[n-]n1 ZINC001592544471 1173919057 /nfs/dbraw/zinc/91/90/57/1173919057.db2.gz YFHRNNWKFNNPDL-YFKPBYRVSA-N -1 1 286.748 1.568 20 0 CDADMM Fc1cccc(OCc2csnn2)c1-c1nnn[n-]1 ZINC001592658103 1173958525 /nfs/dbraw/zinc/95/85/25/1173958525.db2.gz JPGALCYKCUDMGL-UHFFFAOYSA-N -1 1 278.272 1.436 20 0 CDADMM Fc1cccc(OCc2csnn2)c1-c1nn[n-]n1 ZINC001592658103 1173958529 /nfs/dbraw/zinc/95/85/29/1173958529.db2.gz JPGALCYKCUDMGL-UHFFFAOYSA-N -1 1 278.272 1.436 20 0 CDADMM NC(=O)CCSCc1ccc(-c2nn[n-]n2)s1 ZINC001592728249 1173983327 /nfs/dbraw/zinc/98/33/27/1173983327.db2.gz KTQJVFGXYHRRKY-UHFFFAOYSA-N -1 1 269.355 1.037 20 0 CDADMM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1csc(-c2nn[n-]n2)c1 ZINC001592982548 1174011301 /nfs/dbraw/zinc/01/13/01/1174011301.db2.gz JOPUWDTXQNFRTB-JEZHCXPESA-N -1 1 289.364 1.847 20 0 CDADMM O=C(NCC1CCC1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593028169 1174015594 /nfs/dbraw/zinc/01/55/94/1174015594.db2.gz CDUXVTBXNZPLTD-UHFFFAOYSA-N -1 1 296.334 1.878 20 0 CDADMM O=C(NC[C@@H]1CCC=CO1)c1csc(-c2nn[n-]n2)c1 ZINC001593034116 1174015987 /nfs/dbraw/zinc/01/59/87/1174015987.db2.gz NLZBAQIPMJFPMG-VIFPVBQESA-N -1 1 291.336 1.351 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)C1CCC1 ZINC001593133281 1174024319 /nfs/dbraw/zinc/02/43/19/1174024319.db2.gz LJBNNCBQZHFVPJ-UHFFFAOYSA-N -1 1 263.326 1.345 20 0 CDADMM O=C(NCc1ccoc1)c1csc(-c2nn[n-]n2)c1 ZINC001593147785 1174027738 /nfs/dbraw/zinc/02/77/38/1174027738.db2.gz IIKKQTRLLZMKCA-UHFFFAOYSA-N -1 1 275.293 1.451 20 0 CDADMM O=C(N[C@H]1C[C@@H]1c1cccnc1)c1ccc(-c2nnn[n-]2)o1 ZINC001593187792 1174032774 /nfs/dbraw/zinc/03/27/74/1174032774.db2.gz CJLGMRHEZYXIHK-ZJUUUORDSA-N -1 1 296.290 1.141 20 0 CDADMM O=C(N[C@H]1C[C@@H]1c1cccnc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593187792 1174032777 /nfs/dbraw/zinc/03/27/77/1174032777.db2.gz CJLGMRHEZYXIHK-ZJUUUORDSA-N -1 1 296.290 1.141 20 0 CDADMM O=C(OCC1=CCCCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593284542 1174051585 /nfs/dbraw/zinc/05/15/85/1174051585.db2.gz LFUHPZYIWIPOEX-UHFFFAOYSA-N -1 1 285.307 1.919 20 0 CDADMM O=C(OCC1=CCCCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593284542 1174051593 /nfs/dbraw/zinc/05/15/93/1174051593.db2.gz LFUHPZYIWIPOEX-UHFFFAOYSA-N -1 1 285.307 1.919 20 0 CDADMM O=C(OCC[C@@H]1CC[C@@H]2C[C@@H]21)c1ccnc(-c2nnn[n-]2)c1 ZINC001593286551 1174051909 /nfs/dbraw/zinc/05/19/09/1174051909.db2.gz JSMQHEDCIIWGCQ-HOSYDEDBSA-N -1 1 299.334 1.855 20 0 CDADMM O=C(OCC[C@@H]1CC[C@@H]2C[C@@H]21)c1ccnc(-c2nn[n-]n2)c1 ZINC001593286551 1174051912 /nfs/dbraw/zinc/05/19/12/1174051912.db2.gz JSMQHEDCIIWGCQ-HOSYDEDBSA-N -1 1 299.334 1.855 20 0 CDADMM O=C(OCC1CC(F)(F)C1)c1cccc(-c2nnn[n-]2)n1 ZINC001593284799 1174052389 /nfs/dbraw/zinc/05/23/89/1174052389.db2.gz OAEDAXCPPLVNNJ-UHFFFAOYSA-N -1 1 295.249 1.464 20 0 CDADMM O=C(OCC1CC(F)(F)C1)c1cccc(-c2nn[n-]n2)n1 ZINC001593284799 1174052394 /nfs/dbraw/zinc/05/23/94/1174052394.db2.gz OAEDAXCPPLVNNJ-UHFFFAOYSA-N -1 1 295.249 1.464 20 0 CDADMM O=C(OC[C@@H]1C[C@H]2C[C@H]2C1)c1cccc(-c2nnn[n-]2)n1 ZINC001593284949 1174052478 /nfs/dbraw/zinc/05/24/78/1174052478.db2.gz OIGUILXQUVCAAL-ILWJIGKKSA-N -1 1 285.307 1.465 20 0 CDADMM O=C(OC[C@@H]1C[C@H]2C[C@H]2C1)c1cccc(-c2nn[n-]n2)n1 ZINC001593284949 1174052483 /nfs/dbraw/zinc/05/24/83/1174052483.db2.gz OIGUILXQUVCAAL-ILWJIGKKSA-N -1 1 285.307 1.465 20 0 CDADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CCCOC1 ZINC001593315190 1174062075 /nfs/dbraw/zinc/06/20/75/1174062075.db2.gz HHULYUPXARBUIV-UHFFFAOYSA-N -1 1 298.306 1.168 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1OC2CCC1CC2 ZINC001593338231 1174065022 /nfs/dbraw/zinc/06/50/22/1174065022.db2.gz UQADQVAWVVYRJM-UHFFFAOYSA-N -1 1 291.336 1.627 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1OC2CCC1CC2 ZINC001593338231 1174065030 /nfs/dbraw/zinc/06/50/30/1174065030.db2.gz UQADQVAWVVYRJM-UHFFFAOYSA-N -1 1 291.336 1.627 20 0 CDADMM O=c1c2c([n-]n1Cc1ccc(-c3nn[nH]n3)cc1)CCCC2 ZINC001593382777 1174072706 /nfs/dbraw/zinc/07/27/06/1174072706.db2.gz SASQLTBOZKDXQO-LBPRGKRZSA-N -1 1 296.334 1.755 20 0 CDADMM O=c1c(-c2nn[n-]n2)c2c(cn1CC1=CCCC1)CCC2 ZINC001593492415 1174087825 /nfs/dbraw/zinc/08/78/25/1174087825.db2.gz ONWDOMSWVDZQCL-UHFFFAOYSA-N -1 1 283.335 1.627 20 0 CDADMM c1c(-c2nnn[n-]2)nc(C2CC2)nc1N1CC[C@H]2C[C@H]2C1 ZINC001593544156 1174115504 /nfs/dbraw/zinc/11/55/04/1174115504.db2.gz WRWJJZXAHPEDGN-UWVGGRQHSA-N -1 1 283.339 1.380 20 0 CDADMM c1c(-c2nn[n-]n2)nc(C2CC2)nc1N1CC[C@H]2C[C@H]2C1 ZINC001593544156 1174115507 /nfs/dbraw/zinc/11/55/07/1174115507.db2.gz WRWJJZXAHPEDGN-UWVGGRQHSA-N -1 1 283.339 1.380 20 0 CDADMM c1cc(N2C[C@@H](C3CC3)[C@H]2C2CC2)nc(-c2nn[n-]n2)n1 ZINC001593556967 1174131818 /nfs/dbraw/zinc/13/18/18/1174131818.db2.gz ADJGZDKUFWPJNF-CMPLNLGQSA-N -1 1 283.339 1.282 20 0 CDADMM c1ccc(C2(CNc3ncncc3-c3nn[n-]n3)CC2)nc1 ZINC001593570314 1174143160 /nfs/dbraw/zinc/14/31/60/1174143160.db2.gz ANJGWWJSLRFCJB-UHFFFAOYSA-N -1 1 294.322 1.195 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC001593583108 1174151253 /nfs/dbraw/zinc/15/12/53/1174151253.db2.gz NWIMSSVJMVPSCN-UTLUCORTSA-N -1 1 271.328 1.505 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC001593583108 1174151258 /nfs/dbraw/zinc/15/12/58/1174151258.db2.gz NWIMSSVJMVPSCN-UTLUCORTSA-N -1 1 271.328 1.505 20 0 CDADMM c1cc2c(ncnc2Oc2cccnc2-c2nnn[n-]2)[nH]1 ZINC001593584816 1174153071 /nfs/dbraw/zinc/15/30/71/1174153071.db2.gz OPEKXDOQXBRDIH-UHFFFAOYSA-N -1 1 280.251 1.325 20 0 CDADMM c1cc2c(ncnc2Oc2cccnc2-c2nn[n-]n2)[nH]1 ZINC001593584816 1174153072 /nfs/dbraw/zinc/15/30/72/1174153072.db2.gz OPEKXDOQXBRDIH-UHFFFAOYSA-N -1 1 280.251 1.325 20 0 CDADMM c1cc(-c2nn[n-]n2)sc1CNCc1csnn1 ZINC001593595315 1174165893 /nfs/dbraw/zinc/16/58/93/1174165893.db2.gz KWHRGBIZGBBMJR-UHFFFAOYSA-N -1 1 279.354 1.070 20 0 CDADMM Cc1cc([C@H](C)N2CC[C@@H](CO)[C@@H](O)C2)oc1C(=O)[O-] ZINC001600149891 1174380553 /nfs/dbraw/zinc/38/05/53/1174380553.db2.gz LGEVIPDIMHOELF-DCAQKATOSA-N -1 1 283.324 1.022 20 0 CDADMM Cc1cc(CNC(=O)c2c(C)coc2CC(=O)[O-])n[nH]1 ZINC001600201717 1174404563 /nfs/dbraw/zinc/40/45/63/1174404563.db2.gz KWCBQVALMSKQIH-UHFFFAOYSA-N -1 1 277.280 1.177 20 0 CDADMM Cc1ccccc1[C@H](C(=O)[O-])N1CC[S@](=O)C[C@H](C)C1 ZINC001600567841 1174509658 /nfs/dbraw/zinc/50/96/58/1174509658.db2.gz MHPAQDBGGCGAGY-GIQGCJHYSA-N -1 1 295.404 1.821 20 0 CDADMM NCc1nccnc1N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001601192163 1174784766 /nfs/dbraw/zinc/78/47/66/1174784766.db2.gz OOYPECUQOJKYDK-UHFFFAOYSA-N -1 1 284.319 1.196 20 0 CDADMM 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/nfs/dbraw/zinc/18/23/06/262182306.db2.gz HXTJDHLTYNDSIF-UHFFFAOYSA-N -1 1 273.336 1.820 20 0 CDADMM CCCc1cc(C(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])n[nH]1 ZINC000653660991 424396455 /nfs/dbraw/zinc/39/64/55/424396455.db2.gz HPLVPPJVMQMIMY-CABZTGNLSA-N -1 1 279.340 1.688 20 0 CDADMM O=C([O-])C[C@@H]1CCCN1Cc1cc2n(n1)CCCC2 ZINC000652484158 424485162 /nfs/dbraw/zinc/48/51/62/424485162.db2.gz MLFPXWXTVLFDFU-LBPRGKRZSA-N -1 1 263.341 1.659 20 0 CDADMM CCOc1ccc(CN2CCSC[C@H]2CC(=O)[O-])nc1 ZINC000652483985 424486370 /nfs/dbraw/zinc/48/63/70/424486370.db2.gz TXAOMFXKJPURBJ-GFCCVEGCSA-N -1 1 296.392 1.872 20 0 CDADMM Cc1nc([C@H](C)N2CCc3cccc(C(=O)[O-])c3C2)n[nH]1 ZINC000652487247 424491235 /nfs/dbraw/zinc/49/12/35/424491235.db2.gz XVBLHLJVAZJHDG-VIFPVBQESA-N -1 1 286.335 1.931 20 0 CDADMM C[C@H](c1ccc(C(=O)NCc2nn[n-]n2)cc1)C(F)(F)F ZINC000653336171 424648233 /nfs/dbraw/zinc/64/82/33/424648233.db2.gz QYLRYWSSIDONOH-SSDOTTSWSA-N -1 1 299.256 1.796 20 0 CDADMM Cc1cc(C)n(CCN2CCc3occc3[C@@H]2C(=O)[O-])n1 ZINC000530166821 271123264 /nfs/dbraw/zinc/12/32/64/271123264.db2.gz QWTFTPZERJDLII-CQSZACIVSA-N -1 1 289.335 1.777 20 0 CDADMM CCn1ccc(CN2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)n1 ZINC000530177055 271133217 /nfs/dbraw/zinc/13/32/17/271133217.db2.gz WOKPDAJDMAHSGJ-ZSBIGDGJSA-N -1 1 265.357 1.977 20 0 CDADMM C[C@@H]1CCCC[C@H]1Cn1cccc(-c2nn[n-]n2)c1=O ZINC001590255249 1173324587 /nfs/dbraw/zinc/32/45/87/1173324587.db2.gz ZYWRYJSLQAQRBQ-MNOVXSKESA-N -1 1 273.340 1.855 20 0 CDADMM COc1ccc2nc(-c3cnn(C)c3)[n-]c(=O)c2c1 ZINC000063580480 278001266 /nfs/dbraw/zinc/00/12/66/278001266.db2.gz PJSFKWJXRMRDAR-UHFFFAOYSA-N -1 1 256.265 1.332 20 0 CDADMM C[C@H](CN(C)C(=O)c1cccc2cc[nH]c21)c1nn[n-]n1 ZINC000183422852 278177093 /nfs/dbraw/zinc/17/70/93/278177093.db2.gz RRQQNCQHDODIHE-SECBINFHSA-N -1 1 284.323 1.557 20 0 CDADMM C[C@H]1CCN(C(=O)c2ncccc2[O-])C[C@@H]1n1ccnc1 ZINC000123940516 278364779 /nfs/dbraw/zinc/36/47/79/278364779.db2.gz IAXPEXMAEUTGMY-RYUDHWBXSA-N -1 1 286.335 1.707 20 0 CDADMM CC[C@H](C)COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590411186 1173400769 /nfs/dbraw/zinc/40/07/69/1173400769.db2.gz UXZYXLBYCVWIHB-QMMMGPOBSA-N -1 1 261.285 1.465 20 0 CDADMM CC[C@H](C)COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590411186 1173400766 /nfs/dbraw/zinc/40/07/66/1173400766.db2.gz UXZYXLBYCVWIHB-QMMMGPOBSA-N -1 1 261.285 1.465 20 0 CDADMM O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1cnn[nH]1 ZINC000194166871 280026350 /nfs/dbraw/zinc/02/63/50/280026350.db2.gz LJUJKFRGVCKIPG-UHFFFAOYSA-N -1 1 299.334 1.473 20 0 CDADMM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1ccon1 ZINC000109624941 280054656 /nfs/dbraw/zinc/05/46/56/280054656.db2.gz ANAUYJYVCWWHKQ-UHFFFAOYSA-N -1 1 273.227 1.851 20 0 CDADMM NC(=O)Nc1ccc(CNC(=O)c2ncccc2[O-])cc1 ZINC000195146897 280071909 /nfs/dbraw/zinc/07/19/09/280071909.db2.gz HIFDIIIDEBZRCS-UHFFFAOYSA-N -1 1 286.291 1.208 20 0 CDADMM Cn1ccnc1-c1noc(-c2ccc([O-])cc2F)n1 ZINC000230229157 280115272 /nfs/dbraw/zinc/11/52/72/280115272.db2.gz RDBXCYAQCGCQQB-UHFFFAOYSA-N -1 1 260.228 1.982 20 0 CDADMM CC[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)OC ZINC001590447783 1173414449 /nfs/dbraw/zinc/41/44/49/1173414449.db2.gz BNJHSUVZTYZPRS-RXMQYKEDSA-N -1 1 288.764 1.814 20 0 CDADMM CC[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)OC ZINC001590447783 1173414476 /nfs/dbraw/zinc/41/44/76/1173414476.db2.gz BNJHSUVZTYZPRS-RXMQYKEDSA-N -1 1 288.764 1.814 20 0 CDADMM CCC[C@H](NC(=O)[C@@H]1[C@H](C)[C@@H]1C1CC1)c1nn[n-]n1 ZINC000528798126 281288074 /nfs/dbraw/zinc/28/80/74/281288074.db2.gz KIVMIKBXFGGFRL-APHKKCJPSA-N -1 1 263.345 1.449 20 0 CDADMM C[C@H](CN(C)C(=O)[C@@H]1[C@@H](C)[C@@H]1C1CC1)c1nn[n-]n1 ZINC000529022776 281313208 /nfs/dbraw/zinc/31/32/08/281313208.db2.gz UEENFLKEBDKCIT-JZSSXWJLSA-N -1 1 263.345 1.054 20 0 CDADMM Cc1nc(-c2ccc(N3CCO[C@@H]4C[C@@H]43)nc2)[n-]c(=O)c1C ZINC000366187246 281800264 /nfs/dbraw/zinc/80/02/64/281800264.db2.gz QWWKBOWCDGZSSQ-QWHCGFSZSA-N -1 1 298.346 1.839 20 0 CDADMM COCC1([N-]S(=O)(=O)c2cccc(F)c2F)CC1 ZINC000531940817 281871931 /nfs/dbraw/zinc/87/19/31/281871931.db2.gz PSBUXLYQTBRQLR-UHFFFAOYSA-N -1 1 277.292 1.422 20 0 CDADMM C[C@H]1CCCC[C@@H]1NC(=O)CNC1(C(=O)[O-])CCCC1 ZINC000532711828 282028063 /nfs/dbraw/zinc/02/80/63/282028063.db2.gz LNUBCACYCXIMQB-RYUDHWBXSA-N -1 1 282.384 1.668 20 0 CDADMM CCOc1cc(C=CC(=O)Nc2nnn[n-]2)ccc1OC ZINC000255778179 289386496 /nfs/dbraw/zinc/38/64/96/289386496.db2.gz XTSMSLNQHXPFQS-ALCCZGGFSA-N -1 1 289.295 1.259 20 0 CDADMM CCOc1cc(C=CC(=O)Nc2nn[n-]n2)ccc1OC ZINC000255778179 289386497 /nfs/dbraw/zinc/38/64/97/289386497.db2.gz XTSMSLNQHXPFQS-ALCCZGGFSA-N -1 1 289.295 1.259 20 0 CDADMM CC[C@H]1CCN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001590517211 1173446415 /nfs/dbraw/zinc/44/64/15/1173446415.db2.gz LZFRMFYHBWBWIK-YFKPBYRVSA-N -1 1 270.749 1.965 20 0 CDADMM O=C(N[C@H]1CCO[C@@H](c2ccncc2)C1)c1ncccc1[O-] ZINC000562941098 293221077 /nfs/dbraw/zinc/22/10/77/293221077.db2.gz VCUKWKRBYAJVSD-GXTWGEPZSA-N -1 1 299.330 1.832 20 0 CDADMM COC(=O)CCS(=O)(=O)[N-]c1cccc2ccncc21 ZINC000564553464 293370961 /nfs/dbraw/zinc/37/09/61/293370961.db2.gz VQQCYPXVVFOPAF-UHFFFAOYSA-N -1 1 294.332 1.540 20 0 CDADMM COCCN(C)S(=O)(=O)[N-]c1scnc1C(C)C ZINC000565053243 293509280 /nfs/dbraw/zinc/50/92/80/293509280.db2.gz HBDWAPWROCARJF-UHFFFAOYSA-N -1 1 293.414 1.501 20 0 CDADMM CCc1nc(SC[C@H]2CCCNC2=O)[n-]c(=O)c1C ZINC000565242263 293576286 /nfs/dbraw/zinc/57/62/86/293576286.db2.gz MXSXFGYVWKRGDL-SECBINFHSA-N -1 1 281.381 1.671 20 0 CDADMM Cc1nocc1CS(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000568257711 294001289 /nfs/dbraw/zinc/00/12/89/294001289.db2.gz VYCCTUPAOZJICY-UHFFFAOYSA-N -1 1 284.341 1.373 20 0 CDADMM Cc1nocc1CS(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000568257711 294001291 /nfs/dbraw/zinc/00/12/91/294001291.db2.gz VYCCTUPAOZJICY-UHFFFAOYSA-N -1 1 284.341 1.373 20 0 CDADMM Cc1nc(SC[C@H]2CNC(=O)C2)[n-]c(=O)c1C ZINC000568270393 294004897 /nfs/dbraw/zinc/00/48/97/294004897.db2.gz DKOBKSTVTBNXQY-MRVPVSSYSA-N -1 1 253.327 1.027 20 0 CDADMM CCCC[C@](C)(CO)Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001590574137 1173469905 /nfs/dbraw/zinc/46/99/05/1173469905.db2.gz WAJRHTQBRGDGCP-CYBMUJFWSA-N -1 1 291.359 1.318 20 0 CDADMM CCCC[C@](C)(CO)Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001590574137 1173469910 /nfs/dbraw/zinc/46/99/10/1173469910.db2.gz WAJRHTQBRGDGCP-CYBMUJFWSA-N -1 1 291.359 1.318 20 0 CDADMM Cn1[n-]cc2/c(=N\C(=O)C3CCSCC3)ccnc1-2 ZINC000283192616 294130562 /nfs/dbraw/zinc/13/05/62/294130562.db2.gz MQVCBMFHICCAPT-WJDWOHSUSA-N -1 1 276.365 1.424 20 0 CDADMM C[C@@H](C(=O)[O-])C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000569119611 294161579 /nfs/dbraw/zinc/16/15/79/294161579.db2.gz LAISRCZVLTUPDU-SNVBAGLBSA-N -1 1 282.315 1.094 20 0 CDADMM Cc1ccc2nc(CNC(=O)[C@@H](C(=O)[O-])C(C)C)[nH]c2c1 ZINC000570331888 294217666 /nfs/dbraw/zinc/21/76/66/294217666.db2.gz CKMVEWCUNSKDNF-ZDUSSCGKSA-N -1 1 289.335 1.844 20 0 CDADMM CCCN(C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C(C)C ZINC000571461451 294441422 /nfs/dbraw/zinc/44/14/22/294441422.db2.gz JWIYWZCHSLUQTD-UHFFFAOYSA-N -1 1 269.301 1.157 20 0 CDADMM COCc1noc([C@H](C)Sc2ncc(C)c(=O)[n-]2)n1 ZINC000573743808 294880046 /nfs/dbraw/zinc/88/00/46/294880046.db2.gz RTZHVCZXPGXGAO-ZETCQYMHSA-N -1 1 282.325 1.873 20 0 CDADMM C[C@@H]1C[C@@H](C)CN(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)C1 ZINC000287570060 297221456 /nfs/dbraw/zinc/22/14/56/297221456.db2.gz KVTAVMMYVRVTRD-YODIJAISSA-N -1 1 287.367 1.852 20 0 CDADMM CCN(CCC1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001590692250 1173495859 /nfs/dbraw/zinc/49/58/59/1173495859.db2.gz JUEQJIGGBNBHGB-UHFFFAOYSA-N -1 1 258.329 1.888 20 0 CDADMM CCN(CCC1CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001590692250 1173495871 /nfs/dbraw/zinc/49/58/71/1173495871.db2.gz JUEQJIGGBNBHGB-UHFFFAOYSA-N -1 1 258.329 1.888 20 0 CDADMM CCOC(=O)/C=C\CSc1cccnc1-c1nnn[n-]1 ZINC001590759495 1173508073 /nfs/dbraw/zinc/50/80/73/1173508073.db2.gz GIHVSDMYHMFGDK-XQRVVYSFSA-N -1 1 291.336 1.473 20 0 CDADMM CCOC(=O)/C=C\CSc1cccnc1-c1nn[n-]n1 ZINC001590759495 1173508080 /nfs/dbraw/zinc/50/80/80/1173508080.db2.gz GIHVSDMYHMFGDK-XQRVVYSFSA-N -1 1 291.336 1.473 20 0 CDADMM CCOC[C@@H](C)OC(=O)c1sccc1-c1nn[n-]n1 ZINC001590800110 1173517295 /nfs/dbraw/zinc/51/72/95/1173517295.db2.gz JPTBRTZZJOCBKF-SSDOTTSWSA-N -1 1 282.325 1.510 20 0 CDADMM O=C(N[C@@H]1CNC(=O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000334185345 303897288 /nfs/dbraw/zinc/89/72/88/303897288.db2.gz HBVQORWNDUXQDL-ZETCQYMHSA-N -1 1 288.225 1.029 20 0 CDADMM CO[C@@H](CC(C)C)Cn1ccnc1-c1nnn[n-]1 ZINC001591326329 1173612316 /nfs/dbraw/zinc/61/23/16/1173612316.db2.gz ATHGSOFJVUDMTP-VIFPVBQESA-N -1 1 250.306 1.124 20 0 CDADMM CO[C@@H](CC(C)C)Cn1ccnc1-c1nn[n-]n1 ZINC001591326329 1173612320 /nfs/dbraw/zinc/61/23/20/1173612320.db2.gz ATHGSOFJVUDMTP-VIFPVBQESA-N -1 1 250.306 1.124 20 0 CDADMM COC1(CCNc2nccnc2-c2nnn[n-]2)CCC1 ZINC001591341021 1173619869 /nfs/dbraw/zinc/61/98/69/1173619869.db2.gz IPAJXFPWUHUPTO-UHFFFAOYSA-N -1 1 275.316 1.028 20 0 CDADMM COC1(CCNc2nccnc2-c2nn[n-]n2)CCC1 ZINC001591341021 1173619873 /nfs/dbraw/zinc/61/98/73/1173619873.db2.gz IPAJXFPWUHUPTO-UHFFFAOYSA-N -1 1 275.316 1.028 20 0 CDADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CCC2CCCC2)c1 ZINC001591836953 1173711154 /nfs/dbraw/zinc/71/11/54/1173711154.db2.gz PPKTXXZOGWFXTI-UHFFFAOYSA-N -1 1 273.340 1.917 20 0 CDADMM CCCN(CC(=O)[O-])C(=O)[C@@H](N)c1ccccc1C ZINC000577638933 317374710 /nfs/dbraw/zinc/37/47/10/317374710.db2.gz FSPVARJCYDFOHJ-ZDUSSCGKSA-N -1 1 264.325 1.318 20 0 CDADMM Cc1nnc(CNc2nc(-c3nn[n-]n3)c(Cl)s2)[nH]1 ZINC001592326850 1173853462 /nfs/dbraw/zinc/85/34/62/1173853462.db2.gz FIFXNRPFZFDNTF-UHFFFAOYSA-N -1 1 297.735 1.015 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(CC2CCC(=O)CC2)c1C ZINC001592338960 1173858403 /nfs/dbraw/zinc/85/84/03/1173858403.db2.gz BEBKVWVWYJEOST-UHFFFAOYSA-N -1 1 274.328 1.439 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(CC2CCC(=O)CC2)c1C ZINC001592338960 1173858409 /nfs/dbraw/zinc/85/84/09/1173858409.db2.gz BEBKVWVWYJEOST-UHFFFAOYSA-N -1 1 274.328 1.439 20 0 CDADMM CO[C@@H]1COC[C@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC000580448363 324469096 /nfs/dbraw/zinc/46/90/96/324469096.db2.gz IILHNGCLZSYDST-MWLCHTKSSA-N -1 1 271.700 1.189 20 0 CDADMM C[C@H](CN(C)C(=O)Cc1cccc(C2CC2)c1)c1nn[n-]n1 ZINC000583981529 325278273 /nfs/dbraw/zinc/27/82/73/325278273.db2.gz SEDYJJRFSVICRG-LLVKDONJSA-N -1 1 299.378 1.882 20 0 CDADMM Cl/C=C\CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001592523121 1173911042 /nfs/dbraw/zinc/91/10/42/1173911042.db2.gz HQWWASRWYLAJMA-RJRFIUFISA-N -1 1 277.719 1.699 20 0 CDADMM Cl/C=C\CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001592523121 1173911045 /nfs/dbraw/zinc/91/10/45/1173911045.db2.gz HQWWASRWYLAJMA-RJRFIUFISA-N -1 1 277.719 1.699 20 0 CDADMM CC(C)c1ocnc1CN1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001604029170 1175725361 /nfs/dbraw/zinc/72/53/61/1175725361.db2.gz GPRVRXKHXNAZNL-JZYVYDRUSA-N -1 1 250.298 1.560 20 0 CDADMM C[C@H](NC(=O)c1cncc([O-])c1)c1csnn1 ZINC000398251144 1160097915 /nfs/dbraw/zinc/09/79/15/1160097915.db2.gz AAXJPGRZXPPHFD-LURJTMIESA-N -1 1 250.283 1.130 20 0 CDADMM CCC[C@@H](NC(=O)c1c(C)oc(C)c1C)c1nn[n-]n1 ZINC000670802730 482430921 /nfs/dbraw/zinc/43/09/21/482430921.db2.gz SKPZYKFFHKYBTC-SNVBAGLBSA-N -1 1 277.328 1.989 20 0 CDADMM Cc1cccc(CSCC(=O)NCc2nn[n-]n2)c1 ZINC000044927816 482449842 /nfs/dbraw/zinc/44/98/42/482449842.db2.gz DWBRVUVVRVCTLG-UHFFFAOYSA-N -1 1 277.353 1.058 20 0 CDADMM C[C@@H]1COCC[C@@H]1CNC(=O)c1ccc([O-])c(F)c1 ZINC000672252186 482528923 /nfs/dbraw/zinc/52/89/23/482528923.db2.gz BNVUTNKQSVTEOV-MWLCHTKSSA-N -1 1 267.300 1.934 20 0 CDADMM COc1cccnc1CC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000672723572 482593714 /nfs/dbraw/zinc/59/37/14/482593714.db2.gz KJXSJMCQGHLWQM-UHFFFAOYSA-N -1 1 299.290 1.650 20 0 CDADMM CCN(Cc1cccs1)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662201529 482605980 /nfs/dbraw/zinc/60/59/80/482605980.db2.gz UCKBDRUHAIQLMO-LLVKDONJSA-N -1 1 282.365 1.256 20 0 CDADMM O=C(Nc1ccnc2ccnn21)c1ccc([O-])c(F)c1 ZINC000681047532 482669979 /nfs/dbraw/zinc/66/99/79/482669979.db2.gz NLAKQTHHYAVPJZ-UHFFFAOYSA-N -1 1 272.239 1.826 20 0 CDADMM Cc1nnc(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)[nH]1 ZINC000388674515 482768499 /nfs/dbraw/zinc/76/84/99/482768499.db2.gz DDDYSOIURPUPQW-SNVBAGLBSA-N -1 1 266.345 1.436 20 0 CDADMM COc1ncccc1C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000095009075 482813334 /nfs/dbraw/zinc/81/33/34/482813334.db2.gz WYMDEFXEKFELLU-GFCCVEGCSA-N -1 1 264.325 1.919 20 0 CDADMM O=C([C@H]1Cc2ccccc21)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000677927089 482847500 /nfs/dbraw/zinc/84/75/00/482847500.db2.gz NMHFGZPFOKXVAB-YPMHNXCESA-N -1 1 283.335 1.246 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@H](n2cncn2)C1 ZINC000681629792 482935552 /nfs/dbraw/zinc/93/55/52/482935552.db2.gz GTVHHYVSXOJATR-JTQLQIEISA-N -1 1 276.271 1.210 20 0 CDADMM C[C@H]1CCN(S(=O)(=O)[N-]c2cnoc2C2CC2)C1 ZINC000666310112 482936351 /nfs/dbraw/zinc/93/63/51/482936351.db2.gz CKYBSJFHYMSASC-QMMMGPOBSA-N -1 1 271.342 1.551 20 0 CDADMM Cc1nc(CNC(=O)C(=O)c2ccc([O-])cc2)cs1 ZINC000684878689 483008325 /nfs/dbraw/zinc/00/83/25/483008325.db2.gz VNJUMHYUVUKBHR-UHFFFAOYSA-N -1 1 276.317 1.656 20 0 CDADMM O=C(Nc1ccc(-n2cncn2)cn1)c1ccccc1[O-] ZINC000682967823 483391811 /nfs/dbraw/zinc/39/18/11/483391811.db2.gz BVHORMMBVXIUIZ-UHFFFAOYSA-N -1 1 281.275 1.620 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2cccc(NC(N)=O)c2)c1[O-] ZINC000676630079 483543143 /nfs/dbraw/zinc/54/31/43/483543143.db2.gz SLDUVMNGXPGVBR-UHFFFAOYSA-N -1 1 275.268 1.167 20 0 CDADMM COc1ccc(O)c(NC(=O)c2n[nH]c(C)c2[O-])c1 ZINC000676632135 483545742 /nfs/dbraw/zinc/54/57/42/483545742.db2.gz GDMSCAZUJMFXKX-UHFFFAOYSA-N -1 1 263.253 1.390 20 0 CDADMM CC(C)[C@H](C)NC(=O)CN1CCC(CCC(=O)[O-])CC1 ZINC000050926489 519812103 /nfs/dbraw/zinc/81/21/03/519812103.db2.gz HTWPEQJWMCWUHL-LBPRGKRZSA-N -1 1 284.400 1.724 20 0 CDADMM COC(=O)[C@H]1CN(Cc2ccc(Cl)c([O-])c2)CCN1C ZINC001231736116 1161012352 /nfs/dbraw/zinc/01/23/52/1161012352.db2.gz DTVFZCMAVCWCOT-GFCCVEGCSA-N -1 1 298.770 1.335 20 0 CDADMM CCn1cc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cn1 ZINC000339189826 523328013 /nfs/dbraw/zinc/32/80/13/523328013.db2.gz STYZLHLWIRVHST-UHFFFAOYSA-N -1 1 291.311 1.011 20 0 CDADMM C[C@H](CN(C)C(=O)[C@H](C)Oc1ccccc1)c1nn[n-]n1 ZINC000183401476 524286821 /nfs/dbraw/zinc/28/68/21/524286821.db2.gz YAVJQZYAYQBQDJ-MNOVXSKESA-N -1 1 289.339 1.229 20 0 CDADMM C[C@H](CO)CNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338415393 524527299 /nfs/dbraw/zinc/52/72/99/524527299.db2.gz BMUPJOQFDOBTSB-QMMMGPOBSA-N -1 1 294.738 1.952 20 0 CDADMM C[C@H](NC(=O)c1cncc([O-])c1)c1cccc(O)c1 ZINC000109042806 525263404 /nfs/dbraw/zinc/26/34/04/525263404.db2.gz CUZWYBAWRDULAU-VIFPVBQESA-N -1 1 258.277 1.984 20 0 CDADMM Cc1cc(CC(=O)OCc2cncc(C(=O)[O-])c2)n[nH]1 ZINC001600186936 1174392546 /nfs/dbraw/zinc/39/25/46/1174392546.db2.gz AAVBGRLZDPRBCF-UHFFFAOYSA-N -1 1 275.264 1.097 20 0 CDADMM Cc1cc(C[N@@H+](CCC(=O)[O-])CC(=O)[O-])cnc1Cl ZINC001600190323 1174394905 /nfs/dbraw/zinc/39/49/05/1174394905.db2.gz IQNWFFLGUZSWJL-UHFFFAOYSA-N -1 1 286.715 1.405 20 0 CDADMM C[C@H]1CCCN(C(=O)CS(=O)(=O)c2ccc([O-])cc2)C1 ZINC000049489268 526265153 /nfs/dbraw/zinc/26/51/53/526265153.db2.gz KAYVNRZYAQOPHK-NSHDSACASA-N -1 1 297.376 1.424 20 0 CDADMM CO[C@H](C)c1nc(=NC[C@@H]2CCNCC2(F)F)s[n-]1 ZINC000420269874 536496889 /nfs/dbraw/zinc/49/68/89/536496889.db2.gz BTBSJMQURWWQMY-SFYZADRCSA-N -1 1 292.355 1.324 20 0 CDADMM Cc1cc(CN[C@@H](C)c2ccnn2C)[nH]c1C(=O)[O-] ZINC001600203560 1174406486 /nfs/dbraw/zinc/40/64/86/1174406486.db2.gz OVBYVSPRUJMORV-VIFPVBQESA-N -1 1 262.313 1.606 20 0 CDADMM CC(C)c1scnc1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000291649955 528521383 /nfs/dbraw/zinc/52/13/83/528521383.db2.gz JPDFQTZPFMEILJ-QMMMGPOBSA-N -1 1 294.384 1.655 20 0 CDADMM CC(C)c1cc(C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)n[nH]1 ZINC000263330947 535356690 /nfs/dbraw/zinc/35/66/90/535356690.db2.gz LNNBURJOOLBPOT-UWVGGRQHSA-N -1 1 279.340 1.716 20 0 CDADMM CCC[C@@H](NC(=O)[C@@H]1C[C@@]1(C)C(C)C)c1nn[n-]n1 ZINC000186328831 535358961 /nfs/dbraw/zinc/35/89/61/535358961.db2.gz XVQVCHZNQSEUSD-CWSCBRNRSA-N -1 1 265.361 1.839 20 0 CDADMM CCCc1nc(=NC(=O)N2CCNC[C@H]2CCC)s[n-]1 ZINC000415657895 535469697 /nfs/dbraw/zinc/46/96/97/535469697.db2.gz KRUXEBMEKKVJER-SNVBAGLBSA-N -1 1 297.428 1.518 20 0 CDADMM O=C([O-])[C@H]1CCN(Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000062134056 538150000 /nfs/dbraw/zinc/15/00/00/538150000.db2.gz IQMCYLZUJXBYFC-VIFPVBQESA-N -1 1 283.711 1.975 20 0 CDADMM Cc1ccc([C@@H](O)CNCc2cc(C(=O)[O-])no2)o1 ZINC001600386178 1174461300 /nfs/dbraw/zinc/46/13/00/1174461300.db2.gz KFZSNHKJYGNZIZ-JTQLQIEISA-N -1 1 266.253 1.097 20 0 CDADMM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H](C)C1=NN(C)CC1=O ZINC001600825684 1174631918 /nfs/dbraw/zinc/63/19/18/1174631918.db2.gz OQIKZVGKZDZWGP-ZCFIWIBFSA-N -1 1 293.279 1.216 20 0 CDADMM Cc1sc(NC(=O)CCc2nc[nH]n2)c(C(=O)[O-])c1C ZINC001600885391 1174653039 /nfs/dbraw/zinc/65/30/39/1174653039.db2.gz FJHAHEUJDZNBGD-UHFFFAOYSA-N -1 1 294.336 1.753 20 0 CDADMM Nc1ccc(CN2CCC(CCC(=O)[O-])CC2)nn1 ZINC001601216308 1174794121 /nfs/dbraw/zinc/79/41/21/1174794121.db2.gz VCXGCGSQDOXGIL-UHFFFAOYSA-N -1 1 264.329 1.136 20 0 CDADMM Nc1ccnc2c1CN(Cc1ccsc1C(=O)[O-])CC2 ZINC001601218594 1174795957 /nfs/dbraw/zinc/79/59/57/1174795957.db2.gz NQFKCYFZAJCGFC-UHFFFAOYSA-N -1 1 289.360 1.982 20 0 CDADMM C[C@@H]1CCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000737752802 574449377 /nfs/dbraw/zinc/44/93/77/574449377.db2.gz YVNOHSLMDWJEAW-SNVBAGLBSA-N -1 1 262.309 1.665 20 0 CDADMM Cc1cccn2cc(CC(=O)[N-]O[C@H]3CCCCO3)nc12 ZINC000725897442 574459675 /nfs/dbraw/zinc/45/96/75/574459675.db2.gz BNOKBQBBMMRQTP-AWEZNQCLSA-N -1 1 289.335 1.760 20 0 CDADMM C[C@H](NC(=O)CC(=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000737675186 574484853 /nfs/dbraw/zinc/48/48/53/574484853.db2.gz FWHLDXWCAIXYNW-LURJTMIESA-N -1 1 281.699 1.868 20 0 CDADMM Cc1cc(CN2CCN(C[C@H](C)O)[C@H](C)C2)oc1C(=O)[O-] ZINC000738385425 574529220 /nfs/dbraw/zinc/52/92/20/574529220.db2.gz NKDSKIKMQODOCU-NEPJUHHUSA-N -1 1 296.367 1.173 20 0 CDADMM O=C([O-])CCCCN1CCN(Cc2cscn2)CC1 ZINC000738571398 574709717 /nfs/dbraw/zinc/70/97/17/574709717.db2.gz WJXYKWKUFJNZCA-UHFFFAOYSA-N -1 1 283.397 1.516 20 0 CDADMM COc1cccc(OS(=O)(=O)c2c[n-]nc2C)c1 ZINC000730099127 574849769 /nfs/dbraw/zinc/84/97/69/574849769.db2.gz AKDPOOGDHNONSY-UHFFFAOYSA-N -1 1 268.294 1.494 20 0 CDADMM O=C(c1cncc([O-])c1)N1CCCC[C@H]1C1OCCO1 ZINC000732282930 575086826 /nfs/dbraw/zinc/08/68/26/575086826.db2.gz YOYYIWJAOYHDLW-LBPRGKRZSA-N -1 1 278.308 1.155 20 0 CDADMM CC(C)[C@H]1CC(=O)N(CN(C[C@@H](C)C(=O)[O-])C2CC2)C1 ZINC000736580117 575696376 /nfs/dbraw/zinc/69/63/76/575696376.db2.gz YIORNIVHICFQCB-NEPJUHHUSA-N -1 1 282.384 1.634 20 0 CDADMM COC(=O)c1sccc1OS(=O)(=O)c1c[n-]cn1 ZINC000736632321 575706077 /nfs/dbraw/zinc/70/60/77/575706077.db2.gz OHDZMCGPYHPLIW-UHFFFAOYSA-N -1 1 288.306 1.026 20 0 CDADMM O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)c1cncc([O-])c1 ZINC000763225532 576723510 /nfs/dbraw/zinc/72/35/10/576723510.db2.gz UQYKFDMEAFHNGQ-WOPDTQHZSA-N -1 1 296.417 1.897 20 0 CDADMM C[S@](=O)CCCNC(=O)c1c([O-])cccc1Cl ZINC000735116512 575431643 /nfs/dbraw/zinc/43/16/43/575431643.db2.gz OAWKKQZSHHQKII-KRWDZBQOSA-N -1 1 275.757 1.544 20 0 CDADMM CC(C)(O)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000735680327 575498011 /nfs/dbraw/zinc/49/80/11/575498011.db2.gz UMLXHCIYQPQRDX-UHFFFAOYSA-N -1 1 268.708 1.098 20 0 CDADMM CC(C)(O)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000735680327 575498014 /nfs/dbraw/zinc/49/80/14/575498014.db2.gz UMLXHCIYQPQRDX-UHFFFAOYSA-N -1 1 268.708 1.098 20 0 CDADMM CC[C@H](Cc1ccccc1)C(=O)OCc1nn[n-]n1 ZINC000736350214 575635194 /nfs/dbraw/zinc/63/51/94/575635194.db2.gz KXVGOIPWXJRJAE-LLVKDONJSA-N -1 1 260.297 1.512 20 0 CDADMM C[C@@H](CN(C)CC(=O)Nc1cccnc1Cl)C(=O)[O-] ZINC000736570291 575692447 /nfs/dbraw/zinc/69/24/47/575692447.db2.gz CQFXEQUQHLFPAE-QMMMGPOBSA-N -1 1 285.731 1.326 20 0 CDADMM C[C@H](O)C[N@H+]1CCN(Cc2cccc(C(=O)[O-])c2)C[C@@H]1C ZINC000736675995 575715320 /nfs/dbraw/zinc/71/53/20/575715320.db2.gz HKFPQSIOJXRLED-STQMWFEESA-N -1 1 292.379 1.272 20 0 CDADMM CC(C)CNC(=O)[C@H](C)OC(=O)c1ccc([O-])cc1F ZINC000773580920 575827637 /nfs/dbraw/zinc/82/76/37/575827637.db2.gz JVXAGMRKYCQBLS-VIFPVBQESA-N -1 1 283.299 1.849 20 0 CDADMM O=C(NCc1ccccn1)c1ccc2n[n-]c(=S)n2c1 ZINC000773691501 575834266 /nfs/dbraw/zinc/83/42/66/575834266.db2.gz ZHRPFESRVYVMLC-UHFFFAOYSA-N -1 1 285.332 1.343 20 0 CDADMM C[C@@H](C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)N(C)C ZINC000774073234 575850770 /nfs/dbraw/zinc/85/07/70/575850770.db2.gz VLDHNYKBAUGRSN-USZNOCQGSA-N -1 1 268.357 1.181 20 0 CDADMM CSCCCCNc1cccc(-c2nnn[n-]2)n1 ZINC000737182670 575897481 /nfs/dbraw/zinc/89/74/81/575897481.db2.gz QDLWQURZPCOPJW-UHFFFAOYSA-N -1 1 264.358 1.817 20 0 CDADMM CSCCCCNc1cccc(-c2nn[n-]n2)n1 ZINC000737182670 575897484 /nfs/dbraw/zinc/89/74/84/575897484.db2.gz QDLWQURZPCOPJW-UHFFFAOYSA-N -1 1 264.358 1.817 20 0 CDADMM CN(C[C@H]1CCS(=O)(=O)C1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737413683 575958868 /nfs/dbraw/zinc/95/88/68/575958868.db2.gz QUZHYORUWOHCTH-DGCLKSJQSA-N -1 1 297.376 1.179 20 0 CDADMM Cc1nc(Sc2cnc(-c3nnn[n-]3)cn2)oc1C ZINC000737481814 575974195 /nfs/dbraw/zinc/97/41/95/575974195.db2.gz AXUKQWNRYFMLKF-UHFFFAOYSA-N -1 1 275.297 1.413 20 0 CDADMM Cc1nc(Sc2cnc(-c3nn[n-]n3)cn2)oc1C ZINC000737481814 575974197 /nfs/dbraw/zinc/97/41/97/575974197.db2.gz AXUKQWNRYFMLKF-UHFFFAOYSA-N -1 1 275.297 1.413 20 0 CDADMM Cc1nc2ccccn2c1CNc1n[nH]cc1-c1nnn[n-]1 ZINC000737489916 575974405 /nfs/dbraw/zinc/97/44/05/575974405.db2.gz NJQDEDUJVBOCRM-UHFFFAOYSA-N -1 1 295.310 1.158 20 0 CDADMM Cc1nc2ccccn2c1CNc1n[nH]cc1-c1nn[n-]n1 ZINC000737489916 575974408 /nfs/dbraw/zinc/97/44/08/575974408.db2.gz NJQDEDUJVBOCRM-UHFFFAOYSA-N -1 1 295.310 1.158 20 0 CDADMM CN1CCC[C@H]1C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000737519763 575982176 /nfs/dbraw/zinc/98/21/76/575982176.db2.gz IPOISLAQSGTPRZ-NSHDSACASA-N -1 1 268.357 1.374 20 0 CDADMM Clc1ccc(NCC[C@H]2CCCO2)nc1-c1nnn[n-]1 ZINC000737576244 575995416 /nfs/dbraw/zinc/99/54/16/575995416.db2.gz ZSOLNGQOBORDDP-MRVPVSSYSA-N -1 1 294.746 1.896 20 0 CDADMM Clc1ccc(NCC[C@H]2CCCO2)nc1-c1nn[n-]n1 ZINC000737576244 575995417 /nfs/dbraw/zinc/99/54/17/575995417.db2.gz ZSOLNGQOBORDDP-MRVPVSSYSA-N -1 1 294.746 1.896 20 0 CDADMM Cn1[n-]c(COC(=O)CCc2ccc(Cl)cc2)nc1=O ZINC000765429952 576021120 /nfs/dbraw/zinc/02/11/20/576021120.db2.gz GCOSSYXEQSQUCK-UHFFFAOYSA-N -1 1 295.726 1.438 20 0 CDADMM Cn1[n-]c(COC(=O)[C@H]2CCCc3ccccc32)nc1=O ZINC000765440408 576023156 /nfs/dbraw/zinc/02/31/56/576023156.db2.gz YJUQGMZASKYRAT-LBPRGKRZSA-N -1 1 287.319 1.272 20 0 CDADMM Cn1[n-]c(COC(=O)Cc2cccc(Cl)c2)nc1=O ZINC000765465928 576026768 /nfs/dbraw/zinc/02/67/68/576026768.db2.gz VNNQCWVRHRHSPV-UHFFFAOYSA-N -1 1 281.699 1.048 20 0 CDADMM COc1ccc([C@H](NCc2cnn(C)c2)C(=O)[O-])cc1 ZINC000737967481 576027176 /nfs/dbraw/zinc/02/71/76/576027176.db2.gz BDVUQMCOWOKVDW-ZDUSSCGKSA-N -1 1 275.308 1.344 20 0 CDADMM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765502120 576031906 /nfs/dbraw/zinc/03/19/06/576031906.db2.gz KCWLHNYMRRZBMP-BDAKNGLRSA-N -1 1 293.348 1.325 20 0 CDADMM OC1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000738389340 576066702 /nfs/dbraw/zinc/06/67/02/576066702.db2.gz KYBNZTNJMRJSHN-UHFFFAOYSA-N -1 1 296.334 1.376 20 0 CDADMM OC1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000738389340 576066703 /nfs/dbraw/zinc/06/67/03/576066703.db2.gz KYBNZTNJMRJSHN-UHFFFAOYSA-N -1 1 296.334 1.376 20 0 CDADMM c1cnn(C[C@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)c1 ZINC000738412044 576070457 /nfs/dbraw/zinc/07/04/57/576070457.db2.gz FFWKUHLTWJJDPD-LLVKDONJSA-N -1 1 296.338 1.127 20 0 CDADMM c1cnn(C[C@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)c1 ZINC000738412044 576070458 /nfs/dbraw/zinc/07/04/58/576070458.db2.gz FFWKUHLTWJJDPD-LLVKDONJSA-N -1 1 296.338 1.127 20 0 CDADMM c1cncc([C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)c1 ZINC000738446370 576076376 /nfs/dbraw/zinc/07/63/76/576076376.db2.gz XUYAHYDCTLEILN-NSHDSACASA-N -1 1 294.322 1.393 20 0 CDADMM c1cncc([C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)c1 ZINC000738446370 576076378 /nfs/dbraw/zinc/07/63/78/576076378.db2.gz XUYAHYDCTLEILN-NSHDSACASA-N -1 1 294.322 1.393 20 0 CDADMM CC(=O)N(c1nc(CN[C@@H](C)C(=O)[O-])cs1)C1CC1 ZINC000738512948 576085597 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O=C([O-])CCC1CCN(CN2CCSC2=S)CC1 ZINC000833225214 601798207 /nfs/dbraw/zinc/79/82/07/601798207.db2.gz CFYOWOBNIBMCEN-UHFFFAOYSA-N -1 1 288.438 1.854 20 0 CDADMM CN(Cc1ccsc1C(=O)[O-])C[C@@H]1CN(C)CCO1 ZINC000707824748 601823930 /nfs/dbraw/zinc/82/39/30/601823930.db2.gz HLJKBAJVZIRCHY-NSHDSACASA-N -1 1 284.381 1.209 20 0 CDADMM CCC(CC)S(=O)(=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825107127 607530746 /nfs/dbraw/zinc/53/07/46/607530746.db2.gz LWKJEDMWXFSXGC-UHFFFAOYSA-N -1 1 295.368 1.365 20 0 CDADMM CCC(CC)S(=O)(=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825107127 607530747 /nfs/dbraw/zinc/53/07/47/607530747.db2.gz LWKJEDMWXFSXGC-UHFFFAOYSA-N -1 1 295.368 1.365 20 0 CDADMM CCN(CC)CC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000829671643 601876859 /nfs/dbraw/zinc/87/68/59/601876859.db2.gz IHGBOROTBYKHCI-UHFFFAOYSA-N -1 1 268.288 1.804 20 0 CDADMM Cc1cc(NC(=O)[C@@H](C)N2CC[C@@](C)(C(=O)[O-])C2)on1 ZINC000832892681 601918923 /nfs/dbraw/zinc/91/89/23/601918923.db2.gz DFGTUDLSSFZHRV-NOZJJQNGSA-N -1 1 281.312 1.107 20 0 CDADMM CC[C@](C)(NC(=O)[C@@H]1CCCc2[nH]ncc21)C(=O)[O-] ZINC000828685189 602025089 /nfs/dbraw/zinc/02/50/89/602025089.db2.gz HDSFKFKHVXWJOP-OQPBUACISA-N -1 1 265.313 1.199 20 0 CDADMM C[C@H](CC(=O)[O-])C(=O)N1C[C@H]2CCCCN2C[C@@H]1C ZINC000827246699 602165873 /nfs/dbraw/zinc/16/58/73/602165873.db2.gz CYFMLYNLAJLJGF-GRYCIOLGSA-N -1 1 268.357 1.182 20 0 CDADMM CCC(CC)(CC(=O)[O-])NCc1nc([C@@H](C)OC)no1 ZINC000828804250 602211889 /nfs/dbraw/zinc/21/18/89/602211889.db2.gz JTCXTNONKKKZNU-SECBINFHSA-N -1 1 285.344 1.900 20 0 CDADMM CN(CCn1cccc(-c2nn[n-]n2)c1=O)c1ccccc1 ZINC000825949860 607647506 /nfs/dbraw/zinc/64/75/06/607647506.db2.gz CAXGQQMCTWQXBT-UHFFFAOYSA-N -1 1 296.334 1.165 20 0 CDADMM Clc1nsc(NCc2ccncc2)c1-c1nn[n-]n1 ZINC000826354724 608168981 /nfs/dbraw/zinc/16/89/81/608168981.db2.gz RZXIUXGFEBBKGW-UHFFFAOYSA-N -1 1 293.743 1.984 20 0 CDADMM O=C([O-])Nc1ccc(C(=O)NCc2cnc[nH]2)cc1 ZINC000832833922 603905582 /nfs/dbraw/zinc/90/55/82/603905582.db2.gz RLVBBUTYBSTSOZ-UHFFFAOYSA-N -1 1 260.253 1.430 20 0 CDADMM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1cc(C(C)C)[nH]n1 ZINC000827006729 604451037 /nfs/dbraw/zinc/45/10/37/604451037.db2.gz NTFYTEZDAPKXRA-GFCCVEGCSA-N -1 1 297.355 1.483 20 0 CDADMM C[C@@H](C(=O)c1c[nH]c2ncccc12)N1CC[C@@H](C(=O)[O-])C1 ZINC000819901493 604469821 /nfs/dbraw/zinc/46/98/21/604469821.db2.gz HCAYJXDATZNLOU-VHSXEESVSA-N -1 1 287.319 1.541 20 0 CDADMM CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000866846327 617185873 /nfs/dbraw/zinc/18/58/73/617185873.db2.gz BZGKGDKDKVFYIC-JGVFFNPUSA-N -1 1 294.323 1.045 20 0 CDADMM Cc1cc([C@@H](C)OC(=O)CCc2nc[nH]n2)oc1C(=O)[O-] ZINC000832872131 604598069 /nfs/dbraw/zinc/59/80/69/604598069.db2.gz MKPKPQWSPRGAGC-MRVPVSSYSA-N -1 1 293.279 1.641 20 0 CDADMM O=C([O-])NCCCC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000832609382 604630446 /nfs/dbraw/zinc/63/04/46/604630446.db2.gz WGLIAWUPWKGRDX-UHFFFAOYSA-N -1 1 280.206 1.415 20 0 CDADMM Cc1nc(COC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)n[nH]1 ZINC000832999727 604669713 /nfs/dbraw/zinc/66/97/13/604669713.db2.gz IRPRXVQFNVZNOP-UHFFFAOYSA-N -1 1 278.268 1.113 20 0 CDADMM O=C([O-])c1csc(NC(=O)c2ncccc2O)c1 ZINC000833343588 604707426 /nfs/dbraw/zinc/70/74/26/604707426.db2.gz IXRDMLJTANKTBI-UHFFFAOYSA-N -1 1 264.262 1.799 20 0 CDADMM Cc1[nH]ncc1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000832848494 604739270 /nfs/dbraw/zinc/73/92/70/604739270.db2.gz GDFBGCSCCBVDDI-UHFFFAOYSA-N -1 1 280.309 1.444 20 0 CDADMM Cc1cc(C[C@H](C)NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)n[nH]1 ZINC000832882989 604743361 /nfs/dbraw/zinc/74/33/61/604743361.db2.gz FNFDPAHHDVFYQH-MVWJERBFSA-N -1 1 293.367 1.656 20 0 CDADMM FC(F)(F)CCCCn1cnc(-c2nn[n-]n2)n1 ZINC000826367694 607712157 /nfs/dbraw/zinc/71/21/57/607712157.db2.gz KKZYWSOXXIAWHY-UHFFFAOYSA-N -1 1 261.211 1.191 20 0 CDADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cnc[nH]2)C1 ZINC000134976086 604894406 /nfs/dbraw/zinc/89/44/06/604894406.db2.gz PXFZDCIKZOUONX-SECBINFHSA-N -1 1 265.313 1.373 20 0 CDADMM CC(C)c1nc([C@H](C)NC(=O)NCCCCC(=O)[O-])n[nH]1 ZINC000820061574 605021587 /nfs/dbraw/zinc/02/15/87/605021587.db2.gz KULNPGFUCYCKAF-VIFPVBQESA-N -1 1 297.359 1.543 20 0 CDADMM CC(C)C[C@@H](C)NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833474647 605055855 /nfs/dbraw/zinc/05/58/55/605055855.db2.gz RUCIVDSIDVAWOH-OLZOCXBDSA-N -1 1 299.415 1.611 20 0 CDADMM CC(C)c1nc([C@@H](C)NC(=O)[C@H](NC(=O)[O-])C(C)C)n[nH]1 ZINC000833511894 605071845 /nfs/dbraw/zinc/07/18/45/605071845.db2.gz DQBPUTNIFOZRIT-RKDXNWHRSA-N -1 1 297.359 1.398 20 0 CDADMM CC(C)CC1(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])CCC1 ZINC000833480527 605091570 /nfs/dbraw/zinc/09/15/70/605091570.db2.gz PMDWRLVMCQIMIP-LBPRGKRZSA-N -1 1 293.367 1.738 20 0 CDADMM CC(C)C(=O)NC1CCN(Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC000833463416 605103232 /nfs/dbraw/zinc/10/32/32/605103232.db2.gz NHXPCCMXNHIGAA-UHFFFAOYSA-N -1 1 293.367 1.450 20 0 CDADMM C[C@@H]1CC/C(=C\C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)C1 ZINC000833602531 605105379 /nfs/dbraw/zinc/10/53/79/605105379.db2.gz RCMOKXLRAGRJST-HUPKAIDTSA-N -1 1 294.395 1.740 20 0 CDADMM CCN1C[C@@H](C)N(C(=O)CCSCC(=O)[O-])C[C@@H]1C ZINC000833659142 605133709 /nfs/dbraw/zinc/13/37/09/605133709.db2.gz YCSHQDGCVGEMGU-WDEREUQCSA-N -1 1 288.413 1.135 20 0 CDADMM CCN1C[C@H](C)N(C(=O)NCCCCCC(=O)[O-])C[C@@H]1C ZINC000820348465 605141295 /nfs/dbraw/zinc/14/12/95/605141295.db2.gz VULNJTGYSRYEMD-STQMWFEESA-N -1 1 299.415 1.756 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(C)(C)C ZINC000833624423 605158072 /nfs/dbraw/zinc/15/80/72/605158072.db2.gz UVNLSQOYLVAWNC-SNVBAGLBSA-N -1 1 256.346 1.040 20 0 CDADMM C[C@H](O)C[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000824697437 607737817 /nfs/dbraw/zinc/73/78/17/607737817.db2.gz CQKXLDXCGNQYEN-UWVGGRQHSA-N -1 1 274.328 1.001 20 0 CDADMM C[C@H](O)C[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000824697437 607737818 /nfs/dbraw/zinc/73/78/18/607737818.db2.gz CQKXLDXCGNQYEN-UWVGGRQHSA-N -1 1 274.328 1.001 20 0 CDADMM C[C@@H](CCO)[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866851141 617189799 /nfs/dbraw/zinc/18/97/99/617189799.db2.gz IKAZLBUTKGONDV-LURJTMIESA-N -1 1 299.179 1.438 20 0 CDADMM CC1=C(C(=O)[O-])C[C@@H](CN(C)Cc2ccco2)O1 ZINC000833585483 605316961 /nfs/dbraw/zinc/31/69/61/605316961.db2.gz WYOSJGWFZVQRSO-NSHDSACASA-N -1 1 251.282 1.859 20 0 CDADMM C[C@@H](c1nc2ccccc2o1)N1CCC(O)(C(=O)[O-])CC1 ZINC000833550163 605376316 /nfs/dbraw/zinc/37/63/16/605376316.db2.gz JSGSPSHPXLLUBN-JTQLQIEISA-N -1 1 290.319 1.800 20 0 CDADMM O=c1nc(N[C@@H]2CCC[C@H]2CCO)cc(Cl)[n-]1 ZINC000858492194 617191477 /nfs/dbraw/zinc/19/14/77/617191477.db2.gz URWSMGJKLXHBSC-JGVFFNPUSA-N -1 1 257.721 1.799 20 0 CDADMM Cc1[nH]ccc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822009742 606128577 /nfs/dbraw/zinc/12/85/77/606128577.db2.gz DEKDBIPWDIZSPM-UHFFFAOYSA-N -1 1 284.279 1.461 20 0 CDADMM CCC(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC000820833463 606236172 /nfs/dbraw/zinc/23/61/72/606236172.db2.gz XYWZCMYVBQZOEQ-UHFFFAOYSA-N -1 1 252.303 1.004 20 0 CDADMM CCC(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC000820833463 606236174 /nfs/dbraw/zinc/23/61/74/606236174.db2.gz XYWZCMYVBQZOEQ-UHFFFAOYSA-N -1 1 252.303 1.004 20 0 CDADMM CCOC(=O)CCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821330819 606460202 /nfs/dbraw/zinc/46/02/02/606460202.db2.gz TXVGBFHQGFTRCS-UHFFFAOYSA-N -1 1 296.718 1.280 20 0 CDADMM CCOC(=O)CCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821330819 606460204 /nfs/dbraw/zinc/46/02/04/606460204.db2.gz TXVGBFHQGFTRCS-UHFFFAOYSA-N -1 1 296.718 1.280 20 0 CDADMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C(C)(C)O ZINC000820456961 606461817 /nfs/dbraw/zinc/46/18/17/606461817.db2.gz XVDSCEUASDESBP-LURJTMIESA-N -1 1 282.735 1.486 20 0 CDADMM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C(C)(C)O ZINC000820456961 606461818 /nfs/dbraw/zinc/46/18/18/606461818.db2.gz XVDSCEUASDESBP-LURJTMIESA-N -1 1 282.735 1.486 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1C[C@H]2CCC[C@H]21 ZINC000823483749 606568631 /nfs/dbraw/zinc/56/86/31/606568631.db2.gz LYMQSBBRRVQLAB-HTQZYQBOSA-N -1 1 275.337 1.553 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1C[C@H]2CCC[C@H]21 ZINC000823483749 606568632 /nfs/dbraw/zinc/56/86/32/606568632.db2.gz LYMQSBBRRVQLAB-HTQZYQBOSA-N -1 1 275.337 1.553 20 0 CDADMM O=C(N[C@H]1CCSC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823154461 606576479 /nfs/dbraw/zinc/57/64/79/606576479.db2.gz BVCVJYJYIHWFIN-LURJTMIESA-N -1 1 281.366 1.164 20 0 CDADMM O=C(N[C@H]1CCSC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823154461 606576480 /nfs/dbraw/zinc/57/64/80/606576480.db2.gz BVCVJYJYIHWFIN-LURJTMIESA-N -1 1 281.366 1.164 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1C1CC1 ZINC000823436492 606650083 /nfs/dbraw/zinc/65/00/83/606650083.db2.gz XZDFMAMHQBXFEY-QWRGUYRKSA-N -1 1 285.307 1.351 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1C[C@H]1C1CC1 ZINC000823436492 606650084 /nfs/dbraw/zinc/65/00/84/606650084.db2.gz XZDFMAMHQBXFEY-QWRGUYRKSA-N -1 1 285.307 1.351 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccco1 ZINC000823436224 606650551 /nfs/dbraw/zinc/65/05/51/606650551.db2.gz MUFZDQLBIHWUPE-UHFFFAOYSA-N -1 1 271.236 1.212 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccco1 ZINC000823436224 606650552 /nfs/dbraw/zinc/65/05/52/606650552.db2.gz MUFZDQLBIHWUPE-UHFFFAOYSA-N -1 1 271.236 1.212 20 0 CDADMM COC[C@H](C)CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000821681966 606698115 /nfs/dbraw/zinc/69/81/15/606698115.db2.gz XBGBYOVLNBHILR-MRVPVSSYSA-N -1 1 291.311 1.183 20 0 CDADMM CCCC1(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000821034641 607131916 /nfs/dbraw/zinc/13/19/16/607131916.db2.gz QGHGVPFFHLKYBN-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM CCCC1(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000821034641 607131918 /nfs/dbraw/zinc/13/19/18/607131918.db2.gz QGHGVPFFHLKYBN-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM CCn1ccnc1COc1cccc(F)c1-c1nnn[n-]1 ZINC000825804921 607863552 /nfs/dbraw/zinc/86/35/52/607863552.db2.gz KTYDOBSEVUUALG-UHFFFAOYSA-N -1 1 288.286 1.801 20 0 CDADMM CCn1ccnc1COc1cccc(F)c1-c1nn[n-]n1 ZINC000825804921 607863553 /nfs/dbraw/zinc/86/35/53/607863553.db2.gz KTYDOBSEVUUALG-UHFFFAOYSA-N -1 1 288.286 1.801 20 0 CDADMM Cc1cc(CN(C)c2cccc(-c3nnn[n-]3)n2)no1 ZINC000826266606 607896486 /nfs/dbraw/zinc/89/64/86/607896486.db2.gz VKJRONXRNSGONH-UHFFFAOYSA-N -1 1 271.284 1.195 20 0 CDADMM Cc1cc(CN(C)c2cccc(-c3nn[n-]n3)n2)no1 ZINC000826266606 607896487 /nfs/dbraw/zinc/89/64/87/607896487.db2.gz VKJRONXRNSGONH-UHFFFAOYSA-N -1 1 271.284 1.195 20 0 CDADMM CC1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CC1 ZINC000824784032 607997844 /nfs/dbraw/zinc/99/78/44/607997844.db2.gz MTTPTDJBMHNWNJ-UHFFFAOYSA-N -1 1 259.269 1.311 20 0 CDADMM c1cn(Cc2nc(-c3ccccc3)no2)c(-c2nnn[n-]2)n1 ZINC000826519910 608013158 /nfs/dbraw/zinc/01/31/58/608013158.db2.gz TVFHGJSDKUWNNV-UHFFFAOYSA-N -1 1 294.278 1.162 20 0 CDADMM c1cn(Cc2nc(-c3ccccc3)no2)c(-c2nn[n-]n2)n1 ZINC000826519910 608013159 /nfs/dbraw/zinc/01/31/59/608013159.db2.gz TVFHGJSDKUWNNV-UHFFFAOYSA-N -1 1 294.278 1.162 20 0 CDADMM c1cn(Cc2nc3ccccc3s2)c(-c2nnn[n-]2)n1 ZINC000826524443 608014156 /nfs/dbraw/zinc/01/41/56/608014156.db2.gz VTVJQKVZLZYGOT-UHFFFAOYSA-N -1 1 283.320 1.721 20 0 CDADMM c1cn(Cc2nc3ccccc3s2)c(-c2nn[n-]n2)n1 ZINC000826524443 608014157 /nfs/dbraw/zinc/01/41/57/608014157.db2.gz VTVJQKVZLZYGOT-UHFFFAOYSA-N -1 1 283.320 1.721 20 0 CDADMM Clc1nsc(NCc2ccncc2)c1-c1nnn[n-]1 ZINC000826354724 608168980 /nfs/dbraw/zinc/16/89/80/608168980.db2.gz RZXIUXGFEBBKGW-UHFFFAOYSA-N -1 1 293.743 1.984 20 0 CDADMM Cc1scc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1C ZINC000826350460 608355345 /nfs/dbraw/zinc/35/53/45/608355345.db2.gz WZPYTDRKCOQXAY-UHFFFAOYSA-N -1 1 289.324 1.012 20 0 CDADMM CC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824030163 608388017 /nfs/dbraw/zinc/38/80/17/608388017.db2.gz XJQUDRPEPGWGJH-UHFFFAOYSA-N -1 1 282.263 1.652 20 0 CDADMM CC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824030163 608388019 /nfs/dbraw/zinc/38/80/19/608388019.db2.gz XJQUDRPEPGWGJH-UHFFFAOYSA-N -1 1 282.263 1.652 20 0 CDADMM CN(Cc1ccccc1F)c1ccc(-c2nnn[n-]2)nn1 ZINC000825980735 608390060 /nfs/dbraw/zinc/39/00/60/608390060.db2.gz IHKHCBRTPHYPCE-UHFFFAOYSA-N -1 1 285.286 1.432 20 0 CDADMM CN(Cc1ccccc1F)c1ccc(-c2nn[n-]n2)nn1 ZINC000825980735 608390061 /nfs/dbraw/zinc/39/00/61/608390061.db2.gz IHKHCBRTPHYPCE-UHFFFAOYSA-N -1 1 285.286 1.432 20 0 CDADMM Cc1cc(CNc2ccc(-c3nnn[n-]3)nn2)cc(C)c1O ZINC000826266768 608399787 /nfs/dbraw/zinc/39/97/87/608399787.db2.gz ASKCKMWGAHQIEZ-UHFFFAOYSA-N -1 1 297.322 1.591 20 0 CDADMM Cc1cc(CNc2ccc(-c3nn[n-]n3)nn2)cc(C)c1O ZINC000826266768 608399789 /nfs/dbraw/zinc/39/97/89/608399789.db2.gz ASKCKMWGAHQIEZ-UHFFFAOYSA-N -1 1 297.322 1.591 20 0 CDADMM FC(F)(F)SCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826368281 608400741 /nfs/dbraw/zinc/40/07/41/608400741.db2.gz JVURATNDTWQOOW-UHFFFAOYSA-N -1 1 291.262 1.322 20 0 CDADMM FC(F)(F)SCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826368281 608400743 /nfs/dbraw/zinc/40/07/43/608400743.db2.gz JVURATNDTWQOOW-UHFFFAOYSA-N -1 1 291.262 1.322 20 0 CDADMM Fc1ccc2c(c1)CC[C@@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826376323 608403929 /nfs/dbraw/zinc/40/39/29/608403929.db2.gz YBLRERPZXNIOMG-NSHDSACASA-N -1 1 297.297 1.895 20 0 CDADMM Fc1ccc2c(c1)CC[C@@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826376323 608403930 /nfs/dbraw/zinc/40/39/30/608403930.db2.gz YBLRERPZXNIOMG-NSHDSACASA-N -1 1 297.297 1.895 20 0 CDADMM Fc1cccc2c1CC[C@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826377689 608403933 /nfs/dbraw/zinc/40/39/33/608403933.db2.gz BKZXPIWBARUONA-LLVKDONJSA-N -1 1 297.297 1.895 20 0 CDADMM Fc1cccc2c1CC[C@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826377689 608403935 /nfs/dbraw/zinc/40/39/35/608403935.db2.gz BKZXPIWBARUONA-LLVKDONJSA-N -1 1 297.297 1.895 20 0 CDADMM Cc1cccc(CCNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826297908 608408658 /nfs/dbraw/zinc/40/86/58/608408658.db2.gz WMZYRFLZCUIPCE-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1cccc(CCNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826297908 608408660 /nfs/dbraw/zinc/40/86/60/608408660.db2.gz WMZYRFLZCUIPCE-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM C[C@@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC000824919853 608417463 /nfs/dbraw/zinc/41/74/63/608417463.db2.gz ZVTBUZZWSIFXSF-BBBLOLIVSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC000824919853 608417465 /nfs/dbraw/zinc/41/74/65/608417465.db2.gz ZVTBUZZWSIFXSF-BBBLOLIVSA-N -1 1 273.344 1.893 20 0 CDADMM c1csc(CCCNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC000826526088 608418691 /nfs/dbraw/zinc/41/86/91/608418691.db2.gz KKWBCXYBOWEKPQ-UHFFFAOYSA-N -1 1 288.340 1.158 20 0 CDADMM c1csc(CCCNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC000826526088 608418690 /nfs/dbraw/zinc/41/86/90/608418690.db2.gz KKWBCXYBOWEKPQ-UHFFFAOYSA-N -1 1 288.340 1.158 20 0 CDADMM CC(C)(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000824079928 608418939 /nfs/dbraw/zinc/41/89/39/608418939.db2.gz SRSLBSFHDAWRDD-UHFFFAOYSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000824079928 608418941 /nfs/dbraw/zinc/41/89/41/608418941.db2.gz SRSLBSFHDAWRDD-UHFFFAOYSA-N -1 1 287.371 1.919 20 0 CDADMM Oc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1F ZINC000826511479 608422372 /nfs/dbraw/zinc/42/23/72/608422372.db2.gz RVGZZMLJJPCELY-UHFFFAOYSA-N -1 1 287.258 1.114 20 0 CDADMM Oc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1F ZINC000826511479 608422374 /nfs/dbraw/zinc/42/23/74/608422374.db2.gz RVGZZMLJJPCELY-UHFFFAOYSA-N -1 1 287.258 1.114 20 0 CDADMM CS[C@@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826226517 608424757 /nfs/dbraw/zinc/42/47/57/608424757.db2.gz AZZNFSDQUQGTML-JGVFFNPUSA-N -1 1 277.357 1.353 20 0 CDADMM CCSCC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000825669263 608427588 /nfs/dbraw/zinc/42/75/88/608427588.db2.gz UBBOFOJDDCMZPA-SECBINFHSA-N -1 1 293.400 1.625 20 0 CDADMM CCSCC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000825669263 608427589 /nfs/dbraw/zinc/42/75/89/608427589.db2.gz UBBOFOJDDCMZPA-SECBINFHSA-N -1 1 293.400 1.625 20 0 CDADMM CCCc1nnc(Sc2ccc(-c3nnn[n-]3)nn2)o1 ZINC000825351676 608432887 /nfs/dbraw/zinc/43/28/87/608432887.db2.gz GPNXFNWFJAQMDV-UHFFFAOYSA-N -1 1 290.312 1.143 20 0 CDADMM CCCc1nnc(Sc2ccc(-c3nn[n-]n3)nn2)o1 ZINC000825351676 608432888 /nfs/dbraw/zinc/43/28/88/608432888.db2.gz GPNXFNWFJAQMDV-UHFFFAOYSA-N -1 1 290.312 1.143 20 0 CDADMM CC[C@@H](C)Cn1cc(-c2nn[n-]n2)c(=O)c2nc(C)ccc21 ZINC000825066680 609312506 /nfs/dbraw/zinc/31/25/06/609312506.db2.gz DKCMJVFOOPQBDC-SECBINFHSA-N -1 1 298.350 1.931 20 0 CDADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)[C@H]1CCCOC1 ZINC000824663104 609561863 /nfs/dbraw/zinc/56/18/63/609561863.db2.gz VTZQMHFBOURKNQ-ZJUUUORDSA-N -1 1 274.328 1.489 20 0 CDADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)[C@H]1CCCOC1 ZINC000824663104 609561866 /nfs/dbraw/zinc/56/18/66/609561866.db2.gz VTZQMHFBOURKNQ-ZJUUUORDSA-N -1 1 274.328 1.489 20 0 CDADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H](O)[C@H](F)C1 ZINC000890705433 617290650 /nfs/dbraw/zinc/29/06/50/617290650.db2.gz NPSHSKSRDVCTPD-ZJUUUORDSA-N -1 1 273.691 1.591 20 0 CDADMM O=C(N[C@]12CC(=O)N[C@H]1CCCC2)c1c([O-])cccc1F ZINC000891282951 617398365 /nfs/dbraw/zinc/39/83/65/617398365.db2.gz HGBFBYOEEYEQAL-XHDPSFHLSA-N -1 1 292.310 1.462 20 0 CDADMM COCc1nc(N2CCC[C@H]2C(C)C)cc(=O)[n-]1 ZINC000892007005 617404549 /nfs/dbraw/zinc/40/45/49/617404549.db2.gz BPUYVQCVSBQKRS-JTQLQIEISA-N -1 1 251.330 1.953 20 0 CDADMM COCc1nc(NCCC(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC000892661742 617568645 /nfs/dbraw/zinc/56/86/45/617568645.db2.gz BBOVVFBUUFPTMH-UHFFFAOYSA-N -1 1 283.328 1.472 20 0 CDADMM CCOC[C@@H](Nc1cc(=O)[n-]c(COC)n1)C(C)C ZINC000893433259 617880443 /nfs/dbraw/zinc/88/04/43/617880443.db2.gz HBQAIGOBQPZXLV-SNVBAGLBSA-N -1 1 269.345 1.802 20 0 CDADMM CC[C@@H](CC(=O)N(C)c1nn[n-]n1)c1ccc(OC)cc1 ZINC000892954535 617978327 /nfs/dbraw/zinc/97/83/27/617978327.db2.gz LBXCNPUHZSDYDU-JTQLQIEISA-N -1 1 289.339 1.755 20 0 CDADMM COCc1nc(N2CCC[C@@](C)(OC)CC2)cc(=O)[n-]1 ZINC000893626221 617714135 /nfs/dbraw/zinc/71/41/35/617714135.db2.gz JOKBYZNCWPKICO-CQSZACIVSA-N -1 1 281.356 1.724 20 0 CDADMM CCOC[C@@H]1CCN(c2cc(=O)[n-]c(COC)n2)C1 ZINC000892791828 617751842 /nfs/dbraw/zinc/75/18/42/617751842.db2.gz KQQYYSJNPUTZAT-SNVBAGLBSA-N -1 1 267.329 1.191 20 0 CDADMM CCC1CCN(c2cc(=O)[n-]c(COC)n2)CC1 ZINC000891917672 617771509 /nfs/dbraw/zinc/77/15/09/617771509.db2.gz KKWZKDJJYVSPSY-UHFFFAOYSA-N -1 1 251.330 1.955 20 0 CDADMM CCC(=O)[C@@H]1CCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000909355277 617897747 /nfs/dbraw/zinc/89/77/47/617897747.db2.gz KKDODLDDSUVAMS-LBPRGKRZSA-N -1 1 275.304 1.545 20 0 CDADMM COCc1nc(N2CCC[C@@H]2[C@@H]2CCCO2)cc(=O)[n-]1 ZINC000893736142 618006565 /nfs/dbraw/zinc/00/65/65/618006565.db2.gz VPONDSPPBZDGRC-MNOVXSKESA-N -1 1 279.340 1.476 20 0 CDADMM C[C@H]1[C@@H](CO)CCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000910559284 618301100 /nfs/dbraw/zinc/30/11/00/618301100.db2.gz JIQUNBUDMYUURO-GXSJLCMTSA-N -1 1 291.351 1.293 20 0 CDADMM COc1ccc(CN2CC[C@](O)(C(=O)[O-])C2)c(Cl)c1 ZINC000901903167 618356279 /nfs/dbraw/zinc/35/62/79/618356279.db2.gz RBIWXXBGTWDYRS-CYBMUJFWSA-N -1 1 285.727 1.370 20 0 CDADMM Cc1ccc(CN2C[C@@H](C)O[C@H](C(=O)[O-])C2)s1 ZINC000901933378 618371299 /nfs/dbraw/zinc/37/12/99/618371299.db2.gz AZJFQCBZCMWNGN-KCJUWKMLSA-N -1 1 255.339 1.730 20 0 CDADMM COCc1nc(NC[C@@H]2CCCC[C@H]2O)cc(=O)[n-]1 ZINC000894098181 618395079 /nfs/dbraw/zinc/39/50/79/618395079.db2.gz OAKRVQQLBWHUAM-VHSXEESVSA-N -1 1 267.329 1.292 20 0 CDADMM CCCN(C)CC(=O)Nc1cncc(C(=O)[O-])c1 ZINC000902040601 618509361 /nfs/dbraw/zinc/50/93/61/618509361.db2.gz RJBUSFKBAXVQGM-UHFFFAOYSA-N -1 1 251.286 1.060 20 0 CDADMM CC(C)(CNC(=O)c1ccc2cncn2c1)CC(=O)[O-] ZINC000910826396 618511890 /nfs/dbraw/zinc/51/18/90/618511890.db2.gz BWFUQKIPGFJYLH-UHFFFAOYSA-N -1 1 275.308 1.565 20 0 CDADMM C[C@@H]1CCN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000828285614 618617508 /nfs/dbraw/zinc/61/75/08/618617508.db2.gz NMDVDZARAPQSFV-MWLCHTKSSA-N -1 1 294.376 1.893 20 0 CDADMM Cc1nc(SCN(C)C(=O)C(C)C)[n-]c(=O)c1C ZINC000882152487 619315994 /nfs/dbraw/zinc/31/59/94/619315994.db2.gz ODDFFLOWXXTQQT-UHFFFAOYSA-N -1 1 269.370 1.963 20 0 CDADMM C[C@H](C(=O)N(CCCC(=O)[O-])Cc1ccccc1)N(C)C ZINC000909477066 619367211 /nfs/dbraw/zinc/36/72/11/619367211.db2.gz YATOMIVBOUURQD-CYBMUJFWSA-N -1 1 292.379 1.830 20 0 CDADMM C[C@]1(NC(=O)CN2CCCC2)CCCC[C@@H]1C(=O)[O-] ZINC000909535945 619980844 /nfs/dbraw/zinc/98/08/44/619980844.db2.gz IVLAYRNSJGWEIH-RISCZKNCSA-N -1 1 268.357 1.232 20 0 CDADMM O=c1nc(N[C@@H]2C[C@@H](O)C23CCOCC3)cc(Cl)[n-]1 ZINC000896717114 620211966 /nfs/dbraw/zinc/21/19/66/620211966.db2.gz ODBHDGAASPJEDX-HTQZYQBOSA-N -1 1 285.731 1.178 20 0 CDADMM O=C(CN1CCC[C@@H](C(=O)[O-])C1)NCCC1CCC1 ZINC000909550305 620283099 /nfs/dbraw/zinc/28/30/99/620283099.db2.gz AONKIYYIIGCXOE-GFCCVEGCSA-N -1 1 268.357 1.089 20 0 CDADMM C[C@@H]1COC[C@@H]1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000928887656 620593539 /nfs/dbraw/zinc/59/35/39/620593539.db2.gz YBOAUYCGGUPURU-KCJUWKMLSA-N -1 1 269.728 1.739 20 0 CDADMM C[C@H]1CC=C(C(=O)NCc2nc([O-])cc(=O)[nH]2)CC1 ZINC000898755708 621860417 /nfs/dbraw/zinc/86/04/17/621860417.db2.gz WPBXLCGOOUTKGZ-QMMMGPOBSA-N -1 1 263.297 1.250 20 0 CDADMM Cc1cccc(CO[N-]C(=O)[C@@H](C)N2CCSCC2)n1 ZINC000898933366 621972500 /nfs/dbraw/zinc/97/25/00/621972500.db2.gz AMYPSQAXPPVIJV-GFCCVEGCSA-N -1 1 295.408 1.375 20 0 CDADMM O=C(Cc1ccc([O-])c(Cl)c1)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000899384055 622220778 /nfs/dbraw/zinc/22/07/78/622220778.db2.gz VHCJYYUQSBBMOW-NTZNESFSSA-N -1 1 295.766 1.817 20 0 CDADMM CC1(C)CN(C(=O)c2cnc(C3CC3)[n-]c2=O)CCO1 ZINC000900185960 622780823 /nfs/dbraw/zinc/78/08/23/622780823.db2.gz MLEHGGKLTDQYKK-UHFFFAOYSA-N -1 1 277.324 1.311 20 0 CDADMM Cc1nc(SCCNC(=O)C2CC2)[n-]c(=O)c1C ZINC000901528904 624318364 /nfs/dbraw/zinc/31/83/64/624318364.db2.gz BXFQZQKJPVLLLE-UHFFFAOYSA-N -1 1 267.354 1.417 20 0 CDADMM COCCOc1cccc(CN2CC[C@](F)(C(=O)[O-])C2)c1 ZINC000901517331 624331406 /nfs/dbraw/zinc/33/14/06/624331406.db2.gz ZQUZXMKKSTWLNH-OAHLLOKOSA-N -1 1 297.326 1.710 20 0 CDADMM CC[C@@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)N(C)C ZINC000901554710 624333350 /nfs/dbraw/zinc/33/33/50/624333350.db2.gz BZGCDNJNTPIFTL-ZDUSSCGKSA-N -1 1 278.352 1.983 20 0 CDADMM CCN(CCC(=O)[O-])Cc1nc2c(s1)CCC2 ZINC000901601542 624367110 /nfs/dbraw/zinc/36/71/10/624367110.db2.gz JJSDPPBFEPIHQF-UHFFFAOYSA-N -1 1 254.355 1.928 20 0 CDADMM CC[C@@H](Sc1nc([O-])cc(=O)n1CCOC)C(C)=O ZINC000901653059 624394167 /nfs/dbraw/zinc/39/41/67/624394167.db2.gz KZPJJHKQBUSZNN-SECBINFHSA-N -1 1 286.353 1.055 20 0 CDADMM Cc1cc(O)cc([N-]S(=O)(=O)N=S(C)(C)=O)c1 ZINC000901687669 624406459 /nfs/dbraw/zinc/40/64/59/624406459.db2.gz XMLRRKPJIJEIBT-UHFFFAOYSA-N -1 1 278.355 1.085 20 0 CDADMM CCCC[C@@H](COC)NCc1cc(C(=O)[O-])no1 ZINC000902285882 624617207 /nfs/dbraw/zinc/61/72/07/624617207.db2.gz JILLFBZIBUCUGO-VIFPVBQESA-N -1 1 256.302 1.668 20 0 CDADMM Cc1nc(CN(C)c2cccc(CC(=O)[O-])c2)n[nH]1 ZINC000903951122 626164931 /nfs/dbraw/zinc/16/49/31/626164931.db2.gz BBOCBSGIJPDGSK-UHFFFAOYSA-N -1 1 260.297 1.377 20 0 CDADMM C[C@@H]1C[C@H](C)N(Cc2cnns2)[C@H](C)[C@@H]1C(=O)[O-] ZINC000903954461 626166428 /nfs/dbraw/zinc/16/64/28/626166428.db2.gz YBNUZRRAZDHVSH-PKIKSRDPSA-N -1 1 269.370 1.858 20 0 CDADMM Cc1cc(CN[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)no1 ZINC000904211466 626215015 /nfs/dbraw/zinc/21/50/15/626215015.db2.gz MOIAGEGLZDDXCL-MNOVXSKESA-N -1 1 265.313 1.651 20 0 CDADMM O=C([O-])N[C@@H]1C[C@@H](N[C@@H]2CCCn3ncnc32)C12CCC2 ZINC000904223170 626223537 /nfs/dbraw/zinc/22/35/37/626223537.db2.gz BZPQEWVHWYZDFH-GMTAPVOTSA-N -1 1 291.355 1.281 20 0 CDADMM Cc1cc(CN[C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)on1 ZINC000904229030 626225105 /nfs/dbraw/zinc/22/51/05/626225105.db2.gz AIXULPHKEHOWRA-GHMZBOCLSA-N -1 1 265.313 1.651 20 0 CDADMM O=C([O-])N[C@@H]1C[C@H](NCc2nccs2)C12CCC2 ZINC000904212412 626226249 /nfs/dbraw/zinc/22/62/49/626226249.db2.gz UXIPHKIHPGDQIA-DTWKUNHWSA-N -1 1 267.354 1.812 20 0 CDADMM O=S(=O)(N=S1(=O)CCCC1)[N-]c1cccnc1 ZINC000906058391 627107521 /nfs/dbraw/zinc/10/75/21/627107521.db2.gz BIWMPPSHXDWXEV-UHFFFAOYSA-N -1 1 275.355 1.000 20 0 CDADMM COC(=O)[C@@H]1CCCC[C@@H]1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000906478770 627291176 /nfs/dbraw/zinc/29/11/76/627291176.db2.gz KGAAKFULNLNQSF-QJPTWQEYSA-N -1 1 285.340 1.540 20 0 CDADMM C[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2O)C1 ZINC000906845869 627430235 /nfs/dbraw/zinc/43/02/35/627430235.db2.gz MVDYQQXNPALLLG-MRVPVSSYSA-N -1 1 285.321 1.121 20 0 CDADMM C[C@@H](C(=O)N1CCSC[C@H]1c1nn[n-]n1)c1ccco1 ZINC000907473309 627673119 /nfs/dbraw/zinc/67/31/19/627673119.db2.gz FXRZNIATROBLAG-BDAKNGLRSA-N -1 1 293.352 1.213 20 0 CDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907478302 627674965 /nfs/dbraw/zinc/67/49/65/627674965.db2.gz IMVVRMMVFJTIPM-BREBYQMCSA-N -1 1 295.412 1.498 20 0 CDADMM CC=C(C=CC(=O)N1CCSC[C@H]1c1nn[n-]n1)CC ZINC000907478767 627675152 /nfs/dbraw/zinc/67/51/52/627675152.db2.gz ZGQFEYPQABTODV-LRWZEDIVSA-N -1 1 293.396 1.729 20 0 CDADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC[C@@H]1c1cc[nH]n1 ZINC000907808291 627856306 /nfs/dbraw/zinc/85/63/06/627856306.db2.gz PZXABMCHEUQJIK-GFCCVEGCSA-N -1 1 299.334 1.760 20 0 CDADMM NC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908717691 628348982 /nfs/dbraw/zinc/34/89/82/628348982.db2.gz MRRMKOVRXVKHHX-RITPCOANSA-N -1 1 299.124 1.215 20 0 CDADMM C[C@@H]1CCc2n[nH]c(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c2C1 ZINC000908967788 628440094 /nfs/dbraw/zinc/44/00/94/628440094.db2.gz UXSKJYGIURZJET-PELKAZGASA-N -1 1 293.367 1.764 20 0 CDADMM CC(C)(C)[C@H](NC(=O)[C@H]1CCc2[nH]cnc2C1)C(=O)[O-] ZINC000908968674 628441057 /nfs/dbraw/zinc/44/10/57/628441057.db2.gz MOVMHZQNMFHDIJ-GZMMTYOYSA-N -1 1 279.340 1.130 20 0 CDADMM O=C([O-])[C@]1(NC(=O)CN2CCCC2)CCc2ccccc21 ZINC000908976162 628444700 /nfs/dbraw/zinc/44/47/00/628444700.db2.gz DAAHEZPWHGBPOA-INIZCTEOSA-N -1 1 288.347 1.125 20 0 CDADMM CCc1cc(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)n[nH]1 ZINC000908986276 628457189 /nfs/dbraw/zinc/45/71/89/628457189.db2.gz YSFJLPGLZAELTL-UHFFFAOYSA-N -1 1 294.355 1.511 20 0 CDADMM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Cc1cnc[nH]1)c1ccccc1 ZINC000909062663 628500458 /nfs/dbraw/zinc/50/04/58/628500458.db2.gz JNQFWEXXHOHZTR-QMTHXVAHSA-N -1 1 287.319 1.530 20 0 CDADMM C[C@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)N(C)C ZINC000909224889 628577708 /nfs/dbraw/zinc/57/77/08/628577708.db2.gz 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CDADMM CCc1ccccc1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001604532905 1163221161 /nfs/dbraw/zinc/22/11/61/1163221161.db2.gz IKCGPSFESKIBMK-UHFFFAOYSA-N -1 1 281.323 1.831 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)CC2CCC2)n1 ZINC001604542861 1163224964 /nfs/dbraw/zinc/22/49/64/1163224964.db2.gz MGFQUTNRLUTNIG-UHFFFAOYSA-N -1 1 273.344 1.455 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)CC2CCC2)n1 ZINC001604542861 1163224971 /nfs/dbraw/zinc/22/49/71/1163224971.db2.gz MGFQUTNRLUTNIG-UHFFFAOYSA-N -1 1 273.344 1.455 20 0 CDADMM CC12CC(C1)CN2CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001604603374 1163244121 /nfs/dbraw/zinc/24/41/21/1163244121.db2.gz HZDLCVHIUSGGRD-UHFFFAOYSA-N -1 1 274.320 1.808 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@]1(C)CC=CCC1 ZINC001604787670 1163325816 /nfs/dbraw/zinc/32/58/16/1163325816.db2.gz DZWNKSHIHZWEQB-CZUORRHYSA-N -1 1 294.395 1.740 20 0 CDADMM CC[C@H](C(=O)[O-])C(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC001604874500 1163362585 /nfs/dbraw/zinc/36/25/85/1163362585.db2.gz YOXKLMKDKNZLQU-QWRGUYRKSA-N -1 1 288.307 1.121 20 0 CDADMM CC[C@H](NC(=O)[C@@H](N)Cc1ccc2cc[nH]c2c1)C(=O)[O-] ZINC001605071023 1163440918 /nfs/dbraw/zinc/44/09/18/1163440918.db2.gz PSJXESPJAWZDOJ-RYUDHWBXSA-N -1 1 289.335 1.017 20 0 CDADMM COCC[C@@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001605079038 1163443492 /nfs/dbraw/zinc/44/34/92/1163443492.db2.gz OBEKYAUXHPDFOO-MRVPVSSYSA-N -1 1 277.332 1.050 20 0 CDADMM COCC[C@@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001605079038 1163443498 /nfs/dbraw/zinc/44/34/98/1163443498.db2.gz OBEKYAUXHPDFOO-MRVPVSSYSA-N -1 1 277.332 1.050 20 0 CDADMM COCc1cccc(CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001605133951 1163462674 /nfs/dbraw/zinc/46/26/74/1163462674.db2.gz WKIJPEXDAPBUFW-UHFFFAOYSA-N -1 1 297.322 1.415 20 0 CDADMM COCc1cccc(CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001605133951 1163462677 /nfs/dbraw/zinc/46/26/77/1163462677.db2.gz WKIJPEXDAPBUFW-UHFFFAOYSA-N -1 1 297.322 1.415 20 0 CDADMM CCN1C[C@@H](C)N(C(=O)NCC(C)(C)CC(=O)[O-])C[C@@H]1C ZINC001605466701 1163573481 /nfs/dbraw/zinc/57/34/81/1163573481.db2.gz ZIYUNDATZSUCIK-NWDGAFQWSA-N -1 1 299.415 1.611 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C)[C@@](C)(CO)C2)c1 ZINC001605558293 1163609490 /nfs/dbraw/zinc/60/94/90/1163609490.db2.gz RTGUNBLSAWZRGX-QMTHXVAHSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C)[C@@](C)(CO)C2)c1 ZINC001605558293 1163609494 /nfs/dbraw/zinc/60/94/94/1163609494.db2.gz RTGUNBLSAWZRGX-QMTHXVAHSA-N -1 1 288.355 1.025 20 0 CDADMM CCOC(=O)c1ccc(CN[C@@](C)(COC)CC(=O)[O-])o1 ZINC001605571500 1163613163 /nfs/dbraw/zinc/61/31/63/1163613163.db2.gz QGMKFHBNVPKTDL-CQSZACIVSA-N -1 1 299.323 1.426 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCCCCF)n1 ZINC001605578169 1163614680 /nfs/dbraw/zinc/61/46/80/1163614680.db2.gz HRSFLGHJAZSBCS-UHFFFAOYSA-N -1 1 251.269 1.127 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCCCCF)n1 ZINC001605578169 1163614681 /nfs/dbraw/zinc/61/46/81/1163614681.db2.gz HRSFLGHJAZSBCS-UHFFFAOYSA-N -1 1 251.269 1.127 20 0 CDADMM CCOCCN(C)Cc1c(OC)cccc1C(=O)[O-] ZINC001605633933 1163631017 /nfs/dbraw/zinc/63/10/17/1163631017.db2.gz SBDWPIYYTHTVHW-UHFFFAOYSA-N -1 1 267.325 1.862 20 0 CDADMM Cc1cc(NC(=O)c2ccsc2-c2nnn[n-]2)ncn1 ZINC001605718038 1163649548 /nfs/dbraw/zinc/64/95/48/1163649548.db2.gz YFLVUYOBUIYAPA-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1cc(NC(=O)c2ccsc2-c2nn[n-]n2)ncn1 ZINC001605718038 1163649552 /nfs/dbraw/zinc/64/95/52/1163649552.db2.gz YFLVUYOBUIYAPA-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM CCS(=O)(=O)CCN[C@@H](C)c1cc(C(=O)[O-])cs1 ZINC001605727089 1163653991 /nfs/dbraw/zinc/65/39/91/1163653991.db2.gz XYBLZVJEMFZOTA-QMMMGPOBSA-N -1 1 291.394 1.532 20 0 CDADMM CCc1nnc(NC(=O)CCc2ccccc2C(=O)[O-])[nH]1 ZINC001605844803 1163686686 /nfs/dbraw/zinc/68/66/86/1163686686.db2.gz UPXUHIUHQTZCDP-UHFFFAOYSA-N -1 1 288.307 1.637 20 0 CDADMM CCc1n[nH]c(NC(=O)CCc2ccccc2C(=O)[O-])n1 ZINC001605844803 1163686690 /nfs/dbraw/zinc/68/66/90/1163686690.db2.gz UPXUHIUHQTZCDP-UHFFFAOYSA-N -1 1 288.307 1.637 20 0 CDADMM CCc1nnc(CN[C@](C)(CC)CC(=O)[O-])s1 ZINC001605870152 1163698209 /nfs/dbraw/zinc/69/82/09/1163698209.db2.gz SUENDSOXFZZJLG-LLVKDONJSA-N -1 1 257.359 1.834 20 0 CDADMM Cc1ccc(N2CCO[C@H](C3CC3)C2)nc1-c1nnn[n-]1 ZINC001605867488 1163698273 /nfs/dbraw/zinc/69/82/73/1163698273.db2.gz NGAAERWFJOOERQ-NSHDSACASA-N -1 1 286.339 1.185 20 0 CDADMM Cc1ccc(N2CCO[C@H](C3CC3)C2)nc1-c1nn[n-]n1 ZINC001605867488 1163698278 /nfs/dbraw/zinc/69/82/78/1163698278.db2.gz NGAAERWFJOOERQ-NSHDSACASA-N -1 1 286.339 1.185 20 0 CDADMM CCc1oc(CN(C)CC[C@@H](C)O)cc1C(=O)[O-] ZINC001605889332 1163706526 /nfs/dbraw/zinc/70/65/26/1163706526.db2.gz LCWXIQLECZWYPV-SECBINFHSA-N -1 1 255.314 1.743 20 0 CDADMM CCn1nccc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001605945114 1163722302 /nfs/dbraw/zinc/72/23/02/1163722302.db2.gz KBQSHKKDMWZNSX-UHFFFAOYSA-N -1 1 299.290 1.730 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(CCC(F)(F)F)c1C ZINC001606021238 1163747487 /nfs/dbraw/zinc/74/74/87/1163747487.db2.gz NZSCMHWZEIBIEB-UHFFFAOYSA-N -1 1 260.223 1.632 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(CCC(F)(F)F)c1C ZINC001606021238 1163747493 /nfs/dbraw/zinc/74/74/93/1163747493.db2.gz NZSCMHWZEIBIEB-UHFFFAOYSA-N -1 1 260.223 1.632 20 0 CDADMM Cc1nc(N[C@@H]2CC3CCC2CC3)cc(-c2nnn[n-]2)n1 ZINC001606062679 1163760679 /nfs/dbraw/zinc/76/06/79/1163760679.db2.gz FCTVBXHNJKOSPL-VQXHTEKXSA-N -1 1 285.355 1.956 20 0 CDADMM Cc1nc(N[C@@H]2CC3CCC2CC3)cc(-c2nn[n-]n2)n1 ZINC001606062679 1163760685 /nfs/dbraw/zinc/76/06/85/1163760685.db2.gz FCTVBXHNJKOSPL-VQXHTEKXSA-N -1 1 285.355 1.956 20 0 CDADMM Cc1nc(Nc2cnn(C)c2C2CC2)cc(-c2nnn[n-]2)n1 ZINC001606078582 1163765668 /nfs/dbraw/zinc/76/56/68/1163765668.db2.gz MDZYGSJOKVNEEE-UHFFFAOYSA-N -1 1 297.326 1.320 20 0 CDADMM Cc1nc(Nc2cnn(C)c2C2CC2)cc(-c2nn[n-]n2)n1 ZINC001606078582 1163765672 /nfs/dbraw/zinc/76/56/72/1163765672.db2.gz MDZYGSJOKVNEEE-UHFFFAOYSA-N -1 1 297.326 1.320 20 0 CDADMM Cc1nccnc1[C@@H](C)NCc1ccc(-c2nnn[n-]2)o1 ZINC001606098553 1163772015 /nfs/dbraw/zinc/77/20/15/1163772015.db2.gz DAEXBJORIKWWCS-SECBINFHSA-N -1 1 285.311 1.409 20 0 CDADMM Cc1nsc(N2CCC(CCO)CC2)c1-c1nn[n-]n1 ZINC001606144145 1163786526 /nfs/dbraw/zinc/78/65/26/1163786526.db2.gz KSQYMQGKEGMPID-UHFFFAOYSA-N -1 1 294.384 1.230 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc(-c2ncccn2)no1 ZINC001606165290 1163793978 /nfs/dbraw/zinc/79/39/78/1163793978.db2.gz PTLAJVXBCONMFM-UHFFFAOYSA-N -1 1 296.250 1.275 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc(-c2ncccn2)no1 ZINC001606165290 1163793985 /nfs/dbraw/zinc/79/39/85/1163793985.db2.gz PTLAJVXBCONMFM-UHFFFAOYSA-N -1 1 296.250 1.275 20 0 CDADMM O=C([O-])CN1CC[C@H](N[C@@H]2CCc3c2cccc3F)C1=O ZINC001606243482 1163827421 /nfs/dbraw/zinc/82/74/21/1163827421.db2.gz BXNWNLRUYDUPAA-OLZOCXBDSA-N -1 1 292.310 1.088 20 0 CDADMM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1CC[C@@H]1CCCCO1 ZINC001606374815 1163881291 /nfs/dbraw/zinc/88/12/91/1163881291.db2.gz PQUQNAAVCIMEGL-AGIUHOORSA-N -1 1 299.367 1.284 20 0 CDADMM O=C(CC1CCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606498940 1163917111 /nfs/dbraw/zinc/91/71/11/1163917111.db2.gz SNTQQPJKKVAADP-UHFFFAOYSA-N -1 1 258.285 1.390 20 0 CDADMM O=C(CC1CCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606498940 1163917119 /nfs/dbraw/zinc/91/71/19/1163917119.db2.gz SNTQQPJKKVAADP-UHFFFAOYSA-N -1 1 258.285 1.390 20 0 CDADMM O=C(CCC1CC1)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001606508832 1163919622 /nfs/dbraw/zinc/91/96/22/1163919622.db2.gz AHECUUMSNARIRX-UHFFFAOYSA-N -1 1 298.350 1.731 20 0 CDADMM O=C(CCC1CC1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001606508832 1163919628 /nfs/dbraw/zinc/91/96/28/1163919628.db2.gz AHECUUMSNARIRX-UHFFFAOYSA-N -1 1 298.350 1.731 20 0 CDADMM O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1ccc(-c2nnn[n-]2)o1 ZINC001606727039 1163972926 /nfs/dbraw/zinc/97/29/26/1163972926.db2.gz MBAIRWDUHPIYQI-LPEHRKFASA-N -1 1 287.323 1.626 20 0 CDADMM O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1ccc(-c2nn[n-]n2)o1 ZINC001606727039 1163972931 /nfs/dbraw/zinc/97/29/31/1163972931.db2.gz MBAIRWDUHPIYQI-LPEHRKFASA-N -1 1 287.323 1.626 20 0 CDADMM O=C(NCc1ccoc1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606841542 1164011417 /nfs/dbraw/zinc/01/14/17/1164011417.db2.gz AJWSDAVSMGJVFH-UHFFFAOYSA-N -1 1 287.254 1.529 20 0 CDADMM O=C(NCc1ccoc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606841542 1164011424 /nfs/dbraw/zinc/01/14/24/1164011424.db2.gz AJWSDAVSMGJVFH-UHFFFAOYSA-N -1 1 287.254 1.529 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1(F)CCCC1 ZINC001606897873 1164026328 /nfs/dbraw/zinc/02/63/28/1164026328.db2.gz NTRQWYXNQRTCTA-UHFFFAOYSA-N -1 1 291.286 1.793 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc(F)c[nH]1 ZINC001606897810 1164026557 /nfs/dbraw/zinc/02/65/57/1164026557.db2.gz SSZCGHRAHOAFAM-UHFFFAOYSA-N -1 1 288.242 1.292 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1CCCC12CC2 ZINC001606945759 1164036752 /nfs/dbraw/zinc/03/67/52/1164036752.db2.gz NKRJBXONKASDPS-ZETCQYMHSA-N -1 1 273.300 1.109 20 0 CDADMM O=C(OCC1CC1)c1ccsc1-c1nnn[n-]1 ZINC001606965458 1164041416 /nfs/dbraw/zinc/04/14/16/1164041416.db2.gz QPBOGGNQAQYCRN-UHFFFAOYSA-N -1 1 250.283 1.495 20 0 CDADMM O=C(OCC1CC1)c1ccsc1-c1nn[n-]n1 ZINC001606965458 1164041421 /nfs/dbraw/zinc/04/14/21/1164041421.db2.gz QPBOGGNQAQYCRN-UHFFFAOYSA-N -1 1 250.283 1.495 20 0 CDADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC[C@H](CF)C1 ZINC001607031535 1164065747 /nfs/dbraw/zinc/06/57/47/1164065747.db2.gz GAKDVDLPFGDNFZ-MRVPVSSYSA-N -1 1 295.343 1.750 20 0 CDADMM O[C@H](CCn1ccnc1-c1nnn[n-]1)c1ccccc1 ZINC001607094069 1164078833 /nfs/dbraw/zinc/07/88/33/1164078833.db2.gz MUQQDJRKZZIPKC-LLVKDONJSA-N -1 1 270.296 1.187 20 0 CDADMM O[C@H](CCn1ccnc1-c1nn[n-]n1)c1ccccc1 ZINC001607094069 1164078841 /nfs/dbraw/zinc/07/88/41/1164078841.db2.gz MUQQDJRKZZIPKC-LLVKDONJSA-N -1 1 270.296 1.187 20 0 CDADMM O[C@@H](COc1cccnc1-c1nnn[n-]1)CC1CCCC1 ZINC001607098570 1164082156 /nfs/dbraw/zinc/08/21/56/1164082156.db2.gz YSHYVBNCKJIRJH-LLVKDONJSA-N -1 1 289.339 1.582 20 0 CDADMM O[C@@H](COc1cccnc1-c1nn[n-]n1)CC1CCCC1 ZINC001607098570 1164082165 /nfs/dbraw/zinc/08/21/65/1164082165.db2.gz YSHYVBNCKJIRJH-LLVKDONJSA-N -1 1 289.339 1.582 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC[C@@H]1C[C@H]1C1CC1 ZINC001607117387 1164099443 /nfs/dbraw/zinc/09/94/43/1164099443.db2.gz KFNJKVCPJUWWKP-IUCAKERBSA-N -1 1 257.301 1.115 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC[C@@H]1C[C@H]1C1CC1 ZINC001607117387 1164099451 /nfs/dbraw/zinc/09/94/51/1164099451.db2.gz KFNJKVCPJUWWKP-IUCAKERBSA-N -1 1 257.301 1.115 20 0 CDADMM c1ccc([C@@H]2C[C@H]2Nc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001607130676 1164110795 /nfs/dbraw/zinc/11/07/95/1164110795.db2.gz CUGJGDJQYVUVQW-QWHCGFSZSA-N -1 1 278.319 1.652 20 0 CDADMM c1ccc([C@@H]2C[C@H]2Nc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001607130676 1164110800 /nfs/dbraw/zinc/11/08/00/1164110800.db2.gz CUGJGDJQYVUVQW-QWHCGFSZSA-N -1 1 278.319 1.652 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCCCC2CCOCC2)n1 ZINC001607133441 1164111936 /nfs/dbraw/zinc/11/19/36/1164111936.db2.gz FMSRBSRQTLKRAW-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCCCC2CCOCC2)n1 ZINC001607133441 1164111941 /nfs/dbraw/zinc/11/19/41/1164111941.db2.gz FMSRBSRQTLKRAW-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OCc2nc(C3CCC3)no2)c1 ZINC001607134113 1164112366 /nfs/dbraw/zinc/11/23/66/1164112366.db2.gz VYOIAKPRGINKQD-UHFFFAOYSA-N -1 1 299.294 1.491 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OCc2nc(C3CCC3)no2)c1 ZINC001607134113 1164112367 /nfs/dbraw/zinc/11/23/67/1164112367.db2.gz VYOIAKPRGINKQD-UHFFFAOYSA-N -1 1 299.294 1.491 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@@H]2CCCOC2)c1 ZINC001607133593 1164112874 /nfs/dbraw/zinc/11/28/74/1164112874.db2.gz KLGNKACNIIHUNW-VIFPVBQESA-N -1 1 260.301 1.100 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@@H]2CCCOC2)c1 ZINC001607133593 1164112879 /nfs/dbraw/zinc/11/28/79/1164112879.db2.gz KLGNKACNIIHUNW-VIFPVBQESA-N -1 1 260.301 1.100 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CCC(C3CC3)CC2)n1 ZINC001607136722 1164116565 /nfs/dbraw/zinc/11/65/65/1164116565.db2.gz QBZQYIQRONOBRZ-UHFFFAOYSA-N -1 1 271.328 1.283 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CCC(C3CC3)CC2)n1 ZINC001607136722 1164116567 /nfs/dbraw/zinc/11/65/67/1164116567.db2.gz QBZQYIQRONOBRZ-UHFFFAOYSA-N -1 1 271.328 1.283 20 0 CDADMM COc1cc(CN[C@@H](C(=O)[O-])c2cccc(O)c2)ccn1 ZINC001607162739 1164124660 /nfs/dbraw/zinc/12/46/60/1164124660.db2.gz CLUVWHODUVZNRY-CQSZACIVSA-N -1 1 288.303 1.711 20 0 CDADMM Cc1ccsc1C[N@@H+](CCC(=O)[O-])CC(=O)[O-] ZINC001607899766 1164327302 /nfs/dbraw/zinc/32/73/02/1164327302.db2.gz HKUDEBOUOJJIRC-UHFFFAOYSA-N -1 1 257.311 1.418 20 0 CDADMM Cn1nc(C(=O)[O-])cc1C(=O)Nc1ccc(F)c(F)c1O ZINC001608144674 1164424643 /nfs/dbraw/zinc/42/46/43/1164424643.db2.gz QBZAZLOHAXCCFM-UHFFFAOYSA-N -1 1 297.217 1.354 20 0 CDADMM NCc1nccnc1N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001608259254 1164473215 /nfs/dbraw/zinc/47/32/15/1164473215.db2.gz ZIXAIWOMOCAQBR-CHWSQXEVSA-N -1 1 298.346 1.240 20 0 CDADMM O=C([O-])c1cc(NC(=O)Cc2nc[nH]n2)cc(Cl)c1F ZINC001608371615 1164500193 /nfs/dbraw/zinc/50/01/93/1164500193.db2.gz OQSCXXRTOFPPAF-UHFFFAOYSA-N -1 1 298.661 1.477 20 0 CDADMM O=C([O-])[C@H](c1ccccc1)N1CCc2ncncc2C1 ZINC001608562662 1164546434 /nfs/dbraw/zinc/54/64/34/1164546434.db2.gz WSELLAGIYGAQBP-AWEZNQCLSA-N -1 1 269.304 1.661 20 0 CDADMM O=C([O-])[C@H]1CCN1C(=O)c1ccc(CN2CCCCC2)o1 ZINC001608638937 1164584929 /nfs/dbraw/zinc/58/49/29/1164584929.db2.gz LJEVPRZQPOSYGA-GFCCVEGCSA-N -1 1 292.335 1.565 20 0 CDADMM O=C([O-])Cc1ccnc(NCc2n[nH]c(C3CC3)n2)c1 ZINC001608791366 1164638050 /nfs/dbraw/zinc/63/80/50/1164638050.db2.gz HVLVHHAZTHEWCQ-UHFFFAOYSA-N -1 1 273.296 1.316 20 0 CDADMM O=C([O-])c1cc(C2CN(Cc3ccc4nonc4c3)C2)[nH]n1 ZINC001608840957 1164657754 /nfs/dbraw/zinc/65/77/54/1164657754.db2.gz RPGYCCOZBGBPGZ-UHFFFAOYSA-N -1 1 299.290 1.244 20 0 CDADMM O=C([O-])c1ccc2[nH]c(CN3CCC[C@@H]3CCO)nc2c1 ZINC001608916494 1164682912 /nfs/dbraw/zinc/68/29/12/1164682912.db2.gz WDUSRWGUKZHXOZ-LLVKDONJSA-N -1 1 289.335 1.608 20 0 CDADMM O=C([O-])c1cccc2c1CN([C@H]1CCCCNC1=O)CC2 ZINC001608942450 1164690116 /nfs/dbraw/zinc/69/01/16/1164690116.db2.gz UHHCZQWUYVZZQB-AWEZNQCLSA-N 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JQOMVIFVLYVZGQ-UHFFFAOYSA-N -1 1 282.303 1.589 20 0 CDADMM CC1=C(C)CN(c2nnc(-c3c[n-][nH]c3=O)n2C)CC1 ZINC001262893531 1167441462 /nfs/dbraw/zinc/44/14/62/1167441462.db2.gz OGVNISBJWMVBJV-UHFFFAOYSA-N -1 1 274.328 1.457 20 0 CDADMM CCC[C@@H](NC(=O)c1cccc2c1CCN2)c1nn[n-]n1 ZINC001646739985 1168076991 /nfs/dbraw/zinc/07/69/91/1168076991.db2.gz VLZYTUFWIWMUMN-GFCCVEGCSA-N -1 1 286.339 1.439 20 0 CDADMM COC[C@]1(C(=O)[O-])CCCN(Cc2nccc(C)n2)C1 ZINC001647255358 1168495600 /nfs/dbraw/zinc/49/56/00/1168495600.db2.gz WXTFJEMGWQOGOT-AWEZNQCLSA-N -1 1 279.340 1.098 20 0 CDADMM CCO[C@H](C)c1ncc(C(=O)N(C)c2nn[n-]n2)s1 ZINC001647403030 1168649093 /nfs/dbraw/zinc/64/90/93/1168649093.db2.gz WSRAPGZLQPMIKJ-ZCFIWIBFSA-N -1 1 282.329 1.030 20 0 CDADMM CCOc1cccc(CNCc2cn(C)nc2C(=O)[O-])c1 ZINC001647409562 1168656414 /nfs/dbraw/zinc/65/64/14/1168656414.db2.gz IIJALGCVGPDHSL-UHFFFAOYSA-N -1 1 289.335 1.807 20 0 CDADMM CNc1ccc(Cl)c(C(=O)N(C)c2nn[n-]n2)c1 ZINC001647844088 1169066083 /nfs/dbraw/zinc/06/60/83/1169066083.db2.gz FIFAZNYEPNLJPD-UHFFFAOYSA-N -1 1 266.692 1.171 20 0 CDADMM O=C([N-]c1nc[nH]n1)c1cc(-c2cccc(O)c2)on1 ZINC001649397545 1169247748 /nfs/dbraw/zinc/24/77/48/1169247748.db2.gz VFAMLLBNCAUFFR-UHFFFAOYSA-N -1 1 271.236 1.418 20 0 CDADMM CN(C(=O)C(C)(C)Oc1ccc(Cl)cc1)c1nn[n-]n1 ZINC001650000375 1169587859 /nfs/dbraw/zinc/58/78/59/1169587859.db2.gz WKRVYVMACIDRSG-UHFFFAOYSA-N -1 1 295.730 1.674 20 0 CDADMM COc1coc(C[N@H+]2C3CCC(CC3)[C@H]2C(=O)[O-])cc1=O ZINC001574053875 1170873340 /nfs/dbraw/zinc/87/33/40/1170873340.db2.gz HNIFZWSKIBMUBG-FDZGAKKTSA-N -1 1 293.319 1.476 20 0 CDADMM O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)[C@H]1C[C@@H](F)C[NH2+]1 ZINC001574339539 1170950649 /nfs/dbraw/zinc/95/06/49/1170950649.db2.gz URQVRUMVXSFRQE-BXKDBHETSA-N -1 1 290.298 1.216 20 0 CDADMM Cn1ncc(C(=O)Nc2c[n-][nH]c2=O)c1Cc1ccccc1 ZINC001651044629 1171281337 /nfs/dbraw/zinc/28/13/37/1171281337.db2.gz REAPIHJSLNOZSE-UHFFFAOYSA-N -1 1 297.318 1.692 20 0 CDADMM CCC[C@@H]1CNCCN1C(=O)c1s[n-]c(=O)c1Cl ZINC001577385072 1171653929 /nfs/dbraw/zinc/65/39/29/1171653929.db2.gz CALVQVJQZSEDDF-SSDOTTSWSA-N -1 1 289.788 1.716 20 0 CDADMM CCc1ccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC001578523126 1171939751 /nfs/dbraw/zinc/93/97/51/1171939751.db2.gz JTBPCLSNOPQRAT-UHFFFAOYSA-N -1 1 297.322 1.415 20 0 CDADMM CCc1ccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC001578523126 1171939760 /nfs/dbraw/zinc/93/97/60/1171939760.db2.gz JTBPCLSNOPQRAT-UHFFFAOYSA-N -1 1 297.322 1.415 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1ccccc1CF ZINC001582807023 1172692063 /nfs/dbraw/zinc/69/20/63/1172692063.db2.gz MEHYMWXSJBCBEU-UHFFFAOYSA-N -1 1 285.282 1.546 20 0 CDADMM c1cc([C@@H]2C[C@H]2Nc2ncncc2-c2nn[n-]n2)cs1 ZINC001582820700 1172696371 /nfs/dbraw/zinc/69/63/71/1172696371.db2.gz ZIQDPLOGKYBHJV-WCBMZHEXSA-N -1 1 285.336 1.686 20 0 CDADMM Cc1cc2nccc(NC(=O)c3n[nH]c(C)c3[O-])n2n1 ZINC001585717029 1172910833 /nfs/dbraw/zinc/91/08/33/1172910833.db2.gz ZWJCGIOTPPCWTK-UHFFFAOYSA-N -1 1 272.268 1.027 20 0 CDADMM C[C@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001588943388 1173116958 /nfs/dbraw/zinc/11/69/58/1173116958.db2.gz MEQRCRMYHUBBML-QMMMGPOBSA-N -1 1 272.312 1.271 20 0 CDADMM C[C@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001588943388 1173116960 /nfs/dbraw/zinc/11/69/60/1173116960.db2.gz MEQRCRMYHUBBML-QMMMGPOBSA-N -1 1 272.312 1.271 20 0 CDADMM CC(C)[C@@H](O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC001589480787 1173148739 /nfs/dbraw/zinc/14/87/39/1173148739.db2.gz VMLJLBKGFAEXID-ZDUSSCGKSA-N -1 1 299.334 1.199 20 0 CDADMM CC(C)[C@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001589764156 1173176743 /nfs/dbraw/zinc/17/67/43/1173176743.db2.gz WYIAXCBRKYSKHG-YFKPBYRVSA-N -1 1 288.764 1.405 20 0 CDADMM CC(C)[C@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589764156 1173176752 /nfs/dbraw/zinc/17/67/52/1173176752.db2.gz WYIAXCBRKYSKHG-YFKPBYRVSA-N -1 1 288.764 1.405 20 0 CDADMM CC(C)n1[nH]cnc1=NCc1csc(-c2nn[n-]n2)c1 ZINC001589785452 1173178803 /nfs/dbraw/zinc/17/88/03/1173178803.db2.gz CVNDIPOYTQAXLI-UHFFFAOYSA-N -1 1 290.356 1.135 20 0 CDADMM CC1(C)C[C@H](Nc2cccnc2-c2nnn[n-]2)CO1 ZINC001590084006 1173247808 /nfs/dbraw/zinc/24/78/08/1173247808.db2.gz RSBHPFKLFGVSJF-QMMMGPOBSA-N -1 1 260.301 1.241 20 0 CDADMM CC1(C)C[C@H](Nc2cccnc2-c2nn[n-]n2)CO1 ZINC001590084006 1173247811 /nfs/dbraw/zinc/24/78/11/1173247811.db2.gz RSBHPFKLFGVSJF-QMMMGPOBSA-N -1 1 260.301 1.241 20 0 CDADMM CC1(C)C[C@H](Nc2cc(-c3nnn[n-]3)ncn2)C(C)(C)O1 ZINC001590084180 1173249743 /nfs/dbraw/zinc/24/97/43/1173249743.db2.gz XQGNOAFDBPFVTO-VIFPVBQESA-N -1 1 289.343 1.415 20 0 CDADMM CC1(C)C[C@H](Nc2cc(-c3nn[n-]n3)ncn2)C(C)(C)O1 ZINC001590084180 1173249746 /nfs/dbraw/zinc/24/97/46/1173249746.db2.gz XQGNOAFDBPFVTO-VIFPVBQESA-N -1 1 289.343 1.415 20 0 CDADMM CC1(C)CC[C@H](OC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590089903 1173253428 /nfs/dbraw/zinc/25/34/28/1173253428.db2.gz AOVQXIZNILZEMG-VIFPVBQESA-N -1 1 287.323 1.997 20 0 CDADMM CC1(C)CC[C@H](OC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590089903 1173253437 /nfs/dbraw/zinc/25/34/37/1173253437.db2.gz AOVQXIZNILZEMG-VIFPVBQESA-N -1 1 287.323 1.997 20 0 CDADMM CC1(C)CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)OC1 ZINC001590089733 1173254168 /nfs/dbraw/zinc/25/41/68/1173254168.db2.gz CVJAVQVMHJSNIQ-SECBINFHSA-N -1 1 289.343 1.274 20 0 CDADMM CC1(C)CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)OC1 ZINC001590089733 1173254171 /nfs/dbraw/zinc/25/41/71/1173254171.db2.gz CVJAVQVMHJSNIQ-SECBINFHSA-N -1 1 289.343 1.274 20 0 CDADMM CC1(C)CCC[C@@H](n2ccc(-c3nn[n-]n3)cc2=O)C1=O ZINC001590096629 1173257337 /nfs/dbraw/zinc/25/73/37/1173257337.db2.gz IGDDLMKVAAPNOK-SNVBAGLBSA-N -1 1 287.323 1.349 20 0 CDADMM CC1(F)CN(C(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001590141724 1173269675 /nfs/dbraw/zinc/26/96/75/1173269675.db2.gz LWBMKYSJUDZCPQ-UHFFFAOYSA-N -1 1 267.289 1.112 20 0 CDADMM CC1(F)CN(C(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001590141724 1173269682 /nfs/dbraw/zinc/26/96/82/1173269682.db2.gz LWBMKYSJUDZCPQ-UHFFFAOYSA-N -1 1 267.289 1.112 20 0 CDADMM C[C@]1(O)CCCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001590150840 1173273796 /nfs/dbraw/zinc/27/37/96/1173273796.db2.gz QGDVSWZTLFIRSE-ZDUSSCGKSA-N -1 1 274.328 1.003 20 0 CDADMM C[C@]1(O)CCCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001590150840 1173273800 /nfs/dbraw/zinc/27/38/00/1173273800.db2.gz QGDVSWZTLFIRSE-ZDUSSCGKSA-N -1 1 274.328 1.003 20 0 CDADMM Cc1ccc(N2CCC=C(C)C2)c(-c2nnn[n-]2)n1 ZINC001590159678 1173279608 /nfs/dbraw/zinc/27/96/08/1173279608.db2.gz FQSPRBDCBPWYFU-UHFFFAOYSA-N -1 1 256.313 1.727 20 0 CDADMM Cc1ccc(N2CCC=C(C)C2)c(-c2nn[n-]n2)n1 ZINC001590159678 1173279610 /nfs/dbraw/zinc/27/96/10/1173279610.db2.gz FQSPRBDCBPWYFU-UHFFFAOYSA-N -1 1 256.313 1.727 20 0 CDADMM C[C@@H]1CC[C@@H](C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001590221638 1173301429 /nfs/dbraw/zinc/30/14/29/1173301429.db2.gz BIQACYDTJDHPBR-HTQZYQBOSA-N -1 1 292.368 1.376 20 0 CDADMM C[C@@H]1CC[C@@H](C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001590221638 1173301436 /nfs/dbraw/zinc/30/14/36/1173301436.db2.gz BIQACYDTJDHPBR-HTQZYQBOSA-N -1 1 292.368 1.376 20 0 CDADMM C[C@@H]1CCC[C@@H](C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC001590239866 1173309921 /nfs/dbraw/zinc/30/99/21/1173309921.db2.gz OXVCDBGKGNEPML-RKDXNWHRSA-N -1 1 289.343 1.365 20 0 CDADMM C[C@@H]1CCC[C@@H](C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC001590239866 1173309928 /nfs/dbraw/zinc/30/99/28/1173309928.db2.gz OXVCDBGKGNEPML-RKDXNWHRSA-N -1 1 289.343 1.365 20 0 CDADMM C[C@@H]1CCC[C@H](C)N1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590243501 1173312970 /nfs/dbraw/zinc/31/29/70/1173312970.db2.gz LTEUSKVKOCGVCG-DTORHVGOSA-N -1 1 290.327 1.367 20 0 CDADMM C[C@H]1CCCC[C@H]1Cn1cccc(-c2nn[n-]n2)c1=O ZINC001590255250 1173322115 /nfs/dbraw/zinc/32/21/15/1173322115.db2.gz ZYWRYJSLQAQRBQ-QWRGUYRKSA-N -1 1 273.340 1.855 20 0 CDADMM C[C@H]1Cc2ccccc2[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590331245 1173359855 /nfs/dbraw/zinc/35/98/55/1173359855.db2.gz ILQZIIKDCALWOU-ZANVPECISA-N -1 1 293.334 1.424 20 0 CDADMM CC[C@H](COC(=O)c1csc(-c2nnn[n-]2)c1)OC ZINC001590447977 1173414632 /nfs/dbraw/zinc/41/46/32/1173414632.db2.gz GQWCDBOXEGOOGR-MRVPVSSYSA-N -1 1 282.325 1.510 20 0 CDADMM CC[C@H](COC(=O)c1csc(-c2nn[n-]n2)c1)OC ZINC001590447977 1173414639 /nfs/dbraw/zinc/41/46/39/1173414639.db2.gz GQWCDBOXEGOOGR-MRVPVSSYSA-N -1 1 282.325 1.510 20 0 CDADMM CCC(F)(F)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590452333 1173416312 /nfs/dbraw/zinc/41/63/12/1173416312.db2.gz ZDTYUOMOMYISOZ-UHFFFAOYSA-N -1 1 269.259 1.422 20 0 CDADMM CCC(F)(F)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590452333 1173416317 /nfs/dbraw/zinc/41/63/17/1173416317.db2.gz ZDTYUOMOMYISOZ-UHFFFAOYSA-N -1 1 269.259 1.422 20 0 CDADMM CC[C@@H]1COC(C)(C)CN1c1cc(-c2nnn[n-]2)ncn1 ZINC001590521571 1173449665 /nfs/dbraw/zinc/44/96/65/1173449665.db2.gz BRXFOSWUIVMUTO-SECBINFHSA-N -1 1 289.343 1.051 20 0 CDADMM CC[C@@H]1COC(C)(C)CN1c1cc(-c2nn[n-]n2)ncn1 ZINC001590521571 1173449669 /nfs/dbraw/zinc/44/96/69/1173449669.db2.gz BRXFOSWUIVMUTO-SECBINFHSA-N -1 1 289.343 1.051 20 0 CDADMM CCC[C@H](OCC)C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001590563452 1173465126 /nfs/dbraw/zinc/46/51/26/1173465126.db2.gz LMOIQWQENUCQPX-QMMMGPOBSA-N -1 1 293.331 1.042 20 0 CDADMM CCN(CC(F)F)c1ccnc(-c2nnn[n-]2)c1 ZINC001590683380 1173490675 /nfs/dbraw/zinc/49/06/75/1173490675.db2.gz RHLWKWKJELBFOY-UHFFFAOYSA-N -1 1 254.244 1.353 20 0 CDADMM CCN(CC(F)F)c1ccnc(-c2nn[n-]n2)c1 ZINC001590683380 1173490681 /nfs/dbraw/zinc/49/06/81/1173490681.db2.gz RHLWKWKJELBFOY-UHFFFAOYSA-N -1 1 254.244 1.353 20 0 CDADMM CCN(CCc1ccccc1)c1ccnc(-c2nn[n-]n2)n1 ZINC001590719107 1173498069 /nfs/dbraw/zinc/49/80/69/1173498069.db2.gz ZOGDVFNKMRFYDR-UHFFFAOYSA-N -1 1 295.350 1.726 20 0 CDADMM CCOc1cccc(CNc2ncncc2-c2nn[n-]n2)c1 ZINC001590841580 1173525597 /nfs/dbraw/zinc/52/55/97/1173525597.db2.gz VHYJTRNWIBVZPP-UHFFFAOYSA-N -1 1 297.322 1.668 20 0 CDADMM CN(Cc1ccc[nH]1)Cc1nc(-c2nnn[n-]2)cs1 ZINC001591140894 1173577747 /nfs/dbraw/zinc/57/77/47/1173577747.db2.gz ISONUURAYFVKDD-UHFFFAOYSA-N -1 1 275.341 1.283 20 0 CDADMM CN(Cc1ccc[nH]1)Cc1nc(-c2nn[n-]n2)cs1 ZINC001591140894 1173577753 /nfs/dbraw/zinc/57/77/53/1173577753.db2.gz ISONUURAYFVKDD-UHFFFAOYSA-N -1 1 275.341 1.283 20 0 CDADMM COC(=O)CCCSc1snc(C)c1-c1nnn[n-]1 ZINC001591263732 1173599544 /nfs/dbraw/zinc/59/95/44/1173599544.db2.gz IQIUYORBWDBVKI-UHFFFAOYSA-N -1 1 299.381 1.677 20 0 CDADMM COC(=O)CCCSc1snc(C)c1-c1nn[n-]n1 ZINC001591263732 1173599547 /nfs/dbraw/zinc/59/95/47/1173599547.db2.gz IQIUYORBWDBVKI-UHFFFAOYSA-N -1 1 299.381 1.677 20 0 CDADMM CO[C@@](C)([C@H](C)Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001591318746 1173603738 /nfs/dbraw/zinc/60/37/38/1173603738.db2.gz VPYHDYXJKWIWCO-SDBXPKJASA-N -1 1 289.343 1.272 20 0 CDADMM CO[C@@](C)([C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001591318746 1173603739 /nfs/dbraw/zinc/60/37/39/1173603739.db2.gz VPYHDYXJKWIWCO-SDBXPKJASA-N -1 1 289.343 1.272 20 0 CDADMM COC1(COC(=O)c2ccc(-c3nn[n-]n3)o2)CCCC1 ZINC001591343963 1173620430 /nfs/dbraw/zinc/62/04/30/1173620430.db2.gz LNGQWETUEKOFTI-UHFFFAOYSA-N -1 1 292.295 1.576 20 0 CDADMM CO[C@@H]1CN(c2ccc(C)c(-c3nnn[n-]3)n2)CC[C@@H]1C ZINC001591359319 1173629460 /nfs/dbraw/zinc/62/94/60/1173629460.db2.gz CMCZLWYBQCOUNT-GXSJLCMTSA-N -1 1 288.355 1.431 20 0 CDADMM CO[C@@H]1CN(c2ccc(C)c(-c3nn[n-]n3)n2)CC[C@@H]1C ZINC001591359319 1173629464 /nfs/dbraw/zinc/62/94/64/1173629464.db2.gz CMCZLWYBQCOUNT-GXSJLCMTSA-N -1 1 288.355 1.431 20 0 CDADMM CO[C@@H]1CCC[C@H]1OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591469242 1173656776 /nfs/dbraw/zinc/65/67/76/1173656776.db2.gz MOLKPGSHJAAVDF-HTQZYQBOSA-N -1 1 294.336 1.653 20 0 CDADMM CO[C@@H]1CCC[C@H]1OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591469242 1173656779 /nfs/dbraw/zinc/65/67/79/1173656779.db2.gz MOLKPGSHJAAVDF-HTQZYQBOSA-N -1 1 294.336 1.653 20 0 CDADMM COc1cc(C)cc(CNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001591520473 1173664050 /nfs/dbraw/zinc/66/40/50/1173664050.db2.gz ZYJJWFVHKIXOQF-UHFFFAOYSA-N -1 1 296.334 1.613 20 0 CDADMM COc1cc(C)cc(CNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001591520473 1173664057 /nfs/dbraw/zinc/66/40/57/1173664057.db2.gz ZYJJWFVHKIXOQF-UHFFFAOYSA-N -1 1 296.334 1.613 20 0 CDADMM COc1cc(COc2cccc(F)c2-c2nnn[n-]2)on1 ZINC001591539464 1173665304 /nfs/dbraw/zinc/66/53/04/1173665304.db2.gz JMHCYTPNDUXZPA-UHFFFAOYSA-N -1 1 291.242 1.581 20 0 CDADMM COc1cc(COc2cccc(F)c2-c2nn[n-]n2)on1 ZINC001591539464 1173665311 /nfs/dbraw/zinc/66/53/11/1173665311.db2.gz JMHCYTPNDUXZPA-UHFFFAOYSA-N -1 1 291.242 1.581 20 0 CDADMM C[C@]12CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001591779927 1173701197 /nfs/dbraw/zinc/70/11/97/1173701197.db2.gz CSLIMTYEQDDHDH-BQVMBELUSA-N -1 1 295.350 1.305 20 0 CDADMM C[C@]12CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001591779927 1173701203 /nfs/dbraw/zinc/70/12/03/1173701203.db2.gz CSLIMTYEQDDHDH-BQVMBELUSA-N -1 1 295.350 1.305 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]2C(F)(F)F)n1 ZINC001591886708 1173739277 /nfs/dbraw/zinc/73/92/77/1173739277.db2.gz AIYZJQGXZJBLST-ZETCQYMHSA-N -1 1 285.233 1.106 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]2C(F)(F)F)n1 ZINC001591886708 1173739281 /nfs/dbraw/zinc/73/92/81/1173739281.db2.gz AIYZJQGXZJBLST-ZETCQYMHSA-N -1 1 285.233 1.106 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCc3sccc3C2)n1 ZINC001591888914 1173739957 /nfs/dbraw/zinc/73/99/57/1173739957.db2.gz RIURNUKSWXUXRJ-UHFFFAOYSA-N -1 1 299.363 1.589 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCc3sccc3C2)n1 ZINC001591888914 1173739963 /nfs/dbraw/zinc/73/99/63/1173739963.db2.gz RIURNUKSWXUXRJ-UHFFFAOYSA-N -1 1 299.363 1.589 20 0 CDADMM Cc1cc(CNc2nc(-c3nn[n-]n3)c(Cl)s2)no1 ZINC001591970456 1173762378 /nfs/dbraw/zinc/76/23/78/1173762378.db2.gz IGICTHYANIGOCU-UHFFFAOYSA-N -1 1 297.731 1.885 20 0 CDADMM Cc1cc(N2[C@@H](C)CC[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001591999319 1173769368 /nfs/dbraw/zinc/76/93/68/1173769368.db2.gz NGNFCIFQUHJCLB-UWVGGRQHSA-N -1 1 258.329 1.947 20 0 CDADMM Cc1cc(N2[C@@H](C)CC[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001591999319 1173769372 /nfs/dbraw/zinc/76/93/72/1173769372.db2.gz NGNFCIFQUHJCLB-UWVGGRQHSA-N -1 1 258.329 1.947 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@H](C)[C@@H](CO)C1 ZINC001592111025 1173803075 /nfs/dbraw/zinc/80/30/75/1173803075.db2.gz YOQLAKUJFKAGGE-GXSJLCMTSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H]1CCOC1(C)C ZINC001592114003 1173806136 /nfs/dbraw/zinc/80/61/36/1173806136.db2.gz LRGWUYQCLPILQQ-SNVBAGLBSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(CN(C)c2ccnc(-c3nn[n-]n3)n2)cc1C ZINC001592152656 1173814972 /nfs/dbraw/zinc/81/49/72/1173814972.db2.gz WQIVQXOCYZHORK-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccc(N2C[C@H](C)C(O)[C@@H](C)C2)nc1-c1nnn[n-]1 ZINC001592174514 1173822332 /nfs/dbraw/zinc/82/23/32/1173822332.db2.gz HVXTWGOIAFTTHE-UWVGGRQHSA-N -1 1 288.355 1.023 20 0 CDADMM Cc1ccc(N2C[C@H](C)C(O)[C@@H](C)C2)nc1-c1nn[n-]n1 ZINC001592174514 1173822338 /nfs/dbraw/zinc/82/23/38/1173822338.db2.gz HVXTWGOIAFTTHE-UWVGGRQHSA-N -1 1 288.355 1.023 20 0 CDADMM Cc1ccc(N(C)Cc2cccc(O)c2)nc1-c1nnn[n-]1 ZINC001592174754 1173823789 /nfs/dbraw/zinc/82/37/89/1173823789.db2.gz AHJBEMLKZOSUEG-UHFFFAOYSA-N -1 1 296.334 1.912 20 0 CDADMM Cc1ccc(N(C)Cc2cccc(O)c2)nc1-c1nn[n-]n1 ZINC001592174754 1173823792 /nfs/dbraw/zinc/82/37/92/1173823792.db2.gz AHJBEMLKZOSUEG-UHFFFAOYSA-N -1 1 296.334 1.912 20 0 CDADMM Cc1ccc(NC[C@H](O)c2ccccc2)nc1-c1nnn[n-]1 ZINC001592182876 1173826420 /nfs/dbraw/zinc/82/64/20/1173826420.db2.gz CLORBSFJUIXBFD-LBPRGKRZSA-N -1 1 296.334 1.716 20 0 CDADMM Cc1ccc(NC[C@H](O)c2ccccc2)nc1-c1nn[n-]n1 ZINC001592182876 1173826424 /nfs/dbraw/zinc/82/64/24/1173826424.db2.gz CLORBSFJUIXBFD-LBPRGKRZSA-N -1 1 296.334 1.716 20 0 CDADMM Cc1ccc(NC[C@H]2CCSC2)nc1-c1nnn[n-]1 ZINC001592183337 1173828913 /nfs/dbraw/zinc/82/89/13/1173828913.db2.gz QEWZMLFZNMGJQE-SECBINFHSA-N -1 1 276.369 1.735 20 0 CDADMM Cc1ccc(NC[C@H]2CCSC2)nc1-c1nn[n-]n1 ZINC001592183337 1173828914 /nfs/dbraw/zinc/82/89/14/1173828914.db2.gz QEWZMLFZNMGJQE-SECBINFHSA-N -1 1 276.369 1.735 20 0 CDADMM Cc1cccc(CN(C)c2cc(-c3nnn[n-]3)nc(C)n2)c1 ZINC001592230347 1173835389 /nfs/dbraw/zinc/83/53/89/1173835389.db2.gz RQTVAHNITHTBPR-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1cccc(CN(C)c2cc(-c3nn[n-]n3)nc(C)n2)c1 ZINC001592230347 1173835394 /nfs/dbraw/zinc/83/53/94/1173835394.db2.gz RQTVAHNITHTBPR-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccoc1COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001592283136 1173847581 /nfs/dbraw/zinc/84/75/81/1173847581.db2.gz AJQNNXPTVUOHLS-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1ccoc1COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001592283136 1173847586 /nfs/dbraw/zinc/84/75/86/1173847586.db2.gz AJQNNXPTVUOHLS-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1[nH]nc(NCc2ccsc2C)c1-c1nnn[n-]1 ZINC001592330986 1173856837 /nfs/dbraw/zinc/85/68/37/1173856837.db2.gz PYQGVXRQMLRONP-UHFFFAOYSA-N -1 1 275.341 1.880 20 0 CDADMM Cc1[nH]nc(NCc2ccsc2C)c1-c1nn[n-]n1 ZINC001592330986 1173856841 /nfs/dbraw/zinc/85/68/41/1173856841.db2.gz PYQGVXRQMLRONP-UHFFFAOYSA-N -1 1 275.341 1.880 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@@H]2C[C@H]2C2CCC2)c1-c1nn[n-]n1 ZINC001592329593 1173856991 /nfs/dbraw/zinc/85/69/91/1173856991.db2.gz BFWQDXJICPKLJZ-DTWKUNHWSA-N -1 1 287.327 1.273 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC(CC(F)F)C2)n1 ZINC001592338118 1173859767 /nfs/dbraw/zinc/85/97/67/1173859767.db2.gz VGFACBMCQVCUEI-UHFFFAOYSA-N -1 1 281.270 1.057 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC(CC(F)F)C2)n1 ZINC001592338118 1173859771 /nfs/dbraw/zinc/85/97/71/1173859771.db2.gz VGFACBMCQVCUEI-UHFFFAOYSA-N -1 1 281.270 1.057 20 0 CDADMM Cc1nc(C)c(CNc2n[nH]c(C)c2-c2nnn[n-]2)s1 ZINC001592357728 1173867080 /nfs/dbraw/zinc/86/70/80/1173867080.db2.gz WHPLKXYRSDHACS-UHFFFAOYSA-N -1 1 290.356 1.584 20 0 CDADMM Cc1nc(C)c(CNc2n[nH]c(C)c2-c2nn[n-]n2)s1 ZINC001592357728 1173867082 /nfs/dbraw/zinc/86/70/82/1173867082.db2.gz WHPLKXYRSDHACS-UHFFFAOYSA-N -1 1 290.356 1.584 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)c1nccnc1C ZINC001592419897 1173885587 /nfs/dbraw/zinc/88/55/87/1173885587.db2.gz CQNDRVGMRKTDJO-UHFFFAOYSA-N -1 1 299.294 1.143 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)c1nccnc1C ZINC001592419897 1173885589 /nfs/dbraw/zinc/88/55/89/1173885589.db2.gz CQNDRVGMRKTDJO-UHFFFAOYSA-N -1 1 299.294 1.143 20 0 CDADMM Cc1noc(C)c1CC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592458135 1173897213 /nfs/dbraw/zinc/89/72/13/1173897213.db2.gz ZIPNXMFAUYZUDJ-UHFFFAOYSA-N -1 1 299.294 1.048 20 0 CDADMM Cc1noc(C)c1CC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592458135 1173897216 /nfs/dbraw/zinc/89/72/16/1173897216.db2.gz ZIPNXMFAUYZUDJ-UHFFFAOYSA-N -1 1 299.294 1.048 20 0 CDADMM F[C@@H]1CCCC[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC001592632911 1173943588 /nfs/dbraw/zinc/94/35/88/1173943588.db2.gz ZEOLSKHRBJQKGL-BDAKNGLRSA-N -1 1 262.292 1.954 20 0 CDADMM F[C@@H]1CCCC[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC001592632911 1173943596 /nfs/dbraw/zinc/94/35/96/1173943596.db2.gz ZEOLSKHRBJQKGL-BDAKNGLRSA-N -1 1 262.292 1.954 20 0 CDADMM O=C(/C=C\C1CC1)OCc1cccnc1-c1nnn[n-]1 ZINC001592790468 1173990356 /nfs/dbraw/zinc/99/03/56/1173990356.db2.gz OIIDIVCNAGMAEZ-WAYWQWQTSA-N -1 1 271.280 1.271 20 0 CDADMM O=C(/C=C\C1CC1)OCc1cccnc1-c1nn[n-]n1 ZINC001592790468 1173990361 /nfs/dbraw/zinc/99/03/61/1173990361.db2.gz OIIDIVCNAGMAEZ-WAYWQWQTSA-N -1 1 271.280 1.271 20 0 CDADMM O=C(C=Cc1ccsc1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592801620 1173990744 /nfs/dbraw/zinc/99/07/44/1173990744.db2.gz FIIDYURFQJIDEH-UPHRSURJSA-N -1 1 287.308 1.303 20 0 CDADMM O=C(C[C@H]1C=CCCC1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592812398 1173994158 /nfs/dbraw/zinc/99/41/58/1173994158.db2.gz HGUSVAQIXDIYEV-QMMMGPOBSA-N -1 1 273.300 1.275 20 0 CDADMM O=C(C[C@H]1C=CCCC1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592812398 1173994161 /nfs/dbraw/zinc/99/41/61/1173994161.db2.gz HGUSVAQIXDIYEV-QMMMGPOBSA-N -1 1 273.300 1.275 20 0 CDADMM O=C(C[C@H]1CCCCO1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592821819 1173995344 /nfs/dbraw/zinc/99/53/44/1173995344.db2.gz XAWGIQYMTCKRRB-SECBINFHSA-N -1 1 288.311 1.159 20 0 CDADMM O=C(C[C@H]1CCCCO1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592821819 1173995348 /nfs/dbraw/zinc/99/53/48/1173995348.db2.gz XAWGIQYMTCKRRB-SECBINFHSA-N -1 1 288.311 1.159 20 0 CDADMM O=C(NCCC1=CCCC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593059692 1174017248 /nfs/dbraw/zinc/01/72/48/1174017248.db2.gz QCDCWTOLSZMKHZ-UHFFFAOYSA-N -1 1 299.338 1.884 20 0 CDADMM O=C(NCCC1=CCCC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593059692 1174017259 /nfs/dbraw/zinc/01/72/59/1174017259.db2.gz QCDCWTOLSZMKHZ-UHFFFAOYSA-N -1 1 299.338 1.884 20 0 CDADMM O=C([N-]Oc1cccc(-c2nn[nH]n2)c1)[C@@H]1C[C@H]1C1CCC1 ZINC001593170681 1174029092 /nfs/dbraw/zinc/02/90/92/1174029092.db2.gz KLZSEZYNVWWUOI-QWHCGFSZSA-N -1 1 299.334 1.713 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc2cc[nH]c2c1 ZINC001593199558 1174032215 /nfs/dbraw/zinc/03/22/15/1174032215.db2.gz MLBNJISJFZWDRS-UHFFFAOYSA-N -1 1 294.278 1.323 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc2cc[nH]c2c1 ZINC001593199558 1174032219 /nfs/dbraw/zinc/03/22/19/1174032219.db2.gz MLBNJISJFZWDRS-UHFFFAOYSA-N -1 1 294.278 1.323 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@H]1C=CCC1 ZINC001593254950 1174039780 /nfs/dbraw/zinc/03/97/80/1174039780.db2.gz ANJIIOCRFJXNJJ-QMMMGPOBSA-N -1 1 271.284 1.102 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@H]1C=CCC1 ZINC001593254950 1174039788 /nfs/dbraw/zinc/03/97/88/1174039788.db2.gz ANJIIOCRFJXNJJ-QMMMGPOBSA-N -1 1 271.284 1.102 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@H]1Cc2ccc(F)cc21 ZINC001593259526 1174042800 /nfs/dbraw/zinc/04/28/00/1174042800.db2.gz BISRWNCBOSKETQ-VIFPVBQESA-N -1 1 299.269 1.007 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC001593260518 1174043989 /nfs/dbraw/zinc/04/39/89/1174043989.db2.gz MBMFFISCUHGJSA-UHFFFAOYSA-N -1 1 289.686 1.496 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1CCC[C@@H](F)C1 ZINC001593261121 1174044377 /nfs/dbraw/zinc/04/43/77/1174044377.db2.gz RLDGWUWAMKTMIX-RNFRBKRXSA-N -1 1 279.279 1.057 20 0 CDADMM O=C(OC1CCCCC1)c1coc(-c2nnn[n-]2)c1 ZINC001593279736 1174047950 /nfs/dbraw/zinc/04/79/50/1174047950.db2.gz DBTWILCCNIHDMN-UHFFFAOYSA-N -1 1 262.269 1.949 20 0 CDADMM O=C(OC1CCCCC1)c1coc(-c2nn[n-]n2)c1 ZINC001593279736 1174047957 /nfs/dbraw/zinc/04/79/57/1174047957.db2.gz DBTWILCCNIHDMN-UHFFFAOYSA-N -1 1 262.269 1.949 20 0 CDADMM O=C(OCC1(O)CCCCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001593282789 1174048837 /nfs/dbraw/zinc/04/88/37/1174048837.db2.gz FVNSCCUGAYHOJH-UHFFFAOYSA-N -1 1 292.295 1.312 20 0 CDADMM O=C(OCCCCCO)c1ccc(-c2nnn[n-]2)s1 ZINC001593287196 1174054689 /nfs/dbraw/zinc/05/46/89/1174054689.db2.gz HNLSZOQMOCAKSG-UHFFFAOYSA-N -1 1 282.325 1.248 20 0 CDADMM O=C(OCCCCCO)c1ccc(-c2nn[n-]n2)s1 ZINC001593287196 1174054694 /nfs/dbraw/zinc/05/46/94/1174054694.db2.gz HNLSZOQMOCAKSG-UHFFFAOYSA-N -1 1 282.325 1.248 20 0 CDADMM O=C(OCCc1ccoc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593292944 1174056775 /nfs/dbraw/zinc/05/67/75/1174056775.db2.gz NTTHCWXCYVFMSH-UHFFFAOYSA-N -1 1 274.236 1.452 20 0 CDADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCSCC1 ZINC001593370186 1174070373 /nfs/dbraw/zinc/07/03/73/1174070373.db2.gz LRFBMAQRHWKKHL-UHFFFAOYSA-N -1 1 281.366 1.117 20 0 CDADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC[C@@H](F)C1 ZINC001593370068 1174070619 /nfs/dbraw/zinc/07/06/19/1174070619.db2.gz BUAHNKCRGFVFCD-SSDOTTSWSA-N -1 1 267.289 1.112 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CC[C@@H](C2CC2)C1 ZINC001593358890 1174072182 /nfs/dbraw/zinc/07/21/82/1174072182.db2.gz RYZSHIMWNJFVQH-LLVKDONJSA-N -1 1 284.323 1.134 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CC[C@@H](C2CC2)C1 ZINC001593358890 1174072185 /nfs/dbraw/zinc/07/21/85/1174072185.db2.gz RYZSHIMWNJFVQH-LLVKDONJSA-N -1 1 284.323 1.134 20 0 CDADMM c1c(NC2CCC2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543445 1174113027 /nfs/dbraw/zinc/11/30/27/1174113027.db2.gz OXEQWRBDCAVJBU-UHFFFAOYSA-N -1 1 257.301 1.499 20 0 CDADMM c1c(NC2CCC2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543445 1174113035 /nfs/dbraw/zinc/11/30/35/1174113035.db2.gz OXEQWRBDCAVJBU-UHFFFAOYSA-N -1 1 257.301 1.499 20 0 CDADMM c1cc(N2C[C@H](C3CC3)[C@H]2C2CC2)nc(-c2nn[n-]n2)n1 ZINC001593556973 1174130982 /nfs/dbraw/zinc/13/09/82/1174130982.db2.gz ADJGZDKUFWPJNF-ZYHUDNBSSA-N -1 1 283.339 1.282 20 0 CDADMM c1cc2ncc(NCc3csc(-c4nn[n-]n4)c3)cn2n1 ZINC001593565873 1174140022 /nfs/dbraw/zinc/14/00/22/1174140022.db2.gz IDCXNVOTDWJPTC-UHFFFAOYSA-N -1 1 298.335 1.583 20 0 CDADMM c1cc2n(n1)CCN(Cc1ccc(-c3nn[n-]n3)s1)C2 ZINC001593566420 1174141551 /nfs/dbraw/zinc/14/15/51/1174141551.db2.gz LWZZRFGNVTYLHE-UHFFFAOYSA-N -1 1 287.352 1.141 20 0 CDADMM c1ccc(CNc2cccnc2-c2nnn[n-]2)cc1 ZINC001593574615 1174146144 /nfs/dbraw/zinc/14/61/44/1174146144.db2.gz XUXLRZWLLHNKRA-UHFFFAOYSA-N -1 1 252.281 1.874 20 0 CDADMM c1ccc(CNc2cccnc2-c2nn[n-]n2)cc1 ZINC001593574615 1174146148 /nfs/dbraw/zinc/14/61/48/1174146148.db2.gz XUXLRZWLLHNKRA-UHFFFAOYSA-N -1 1 252.281 1.874 20 0 CDADMM c1ccc2c(c1)SC[C@@H]2Nc1cncc(-c2nnn[n-]2)n1 ZINC001593580314 1174147784 /nfs/dbraw/zinc/14/77/84/1174147784.db2.gz SVZSXADYCJTPPM-JTQLQIEISA-N -1 1 297.347 1.916 20 0 CDADMM c1ccc2c(c1)SC[C@@H]2Nc1cncc(-c2nn[n-]n2)n1 ZINC001593580314 1174147789 /nfs/dbraw/zinc/14/77/89/1174147789.db2.gz SVZSXADYCJTPPM-JTQLQIEISA-N -1 1 297.347 1.916 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC001593583107 1174150761 /nfs/dbraw/zinc/15/07/61/1174150761.db2.gz NWIMSSVJMVPSCN-LPEHRKFASA-N -1 1 271.328 1.505 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC001593583107 1174150769 /nfs/dbraw/zinc/15/07/69/1174150769.db2.gz NWIMSSVJMVPSCN-LPEHRKFASA-N -1 1 271.328 1.505 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@@H]2C[C@H]3CCC[C@@H]32)c1 ZINC001593582918 1174151179 /nfs/dbraw/zinc/15/11/79/1174151179.db2.gz GACCVZJVBNLXTQ-WCABBAIRSA-N -1 1 256.313 1.862 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@@H]2C[C@H]3CCC[C@@H]32)c1 ZINC001593582918 1174151184 /nfs/dbraw/zinc/15/11/84/1174151184.db2.gz GACCVZJVBNLXTQ-WCABBAIRSA-N -1 1 256.313 1.862 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NC[C@H]1CC2(CCC2)CO1 ZINC001593590087 1174157249 /nfs/dbraw/zinc/15/72/49/1174157249.db2.gz FHZVGCJKHDQXMA-SECBINFHSA-N -1 1 287.327 1.028 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NC[C@H]1CC2(CCC2)CO1 ZINC001593590087 1174157258 /nfs/dbraw/zinc/15/72/58/1174157258.db2.gz FHZVGCJKHDQXMA-SECBINFHSA-N -1 1 287.327 1.028 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC001593589969 1174158121 /nfs/dbraw/zinc/15/81/21/1174158121.db2.gz ASZZCAJGBDNPIX-KKZNHRDASA-N -1 1 287.327 1.026 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC001593589969 1174158126 /nfs/dbraw/zinc/15/81/26/1174158126.db2.gz ASZZCAJGBDNPIX-KKZNHRDASA-N -1 1 287.327 1.026 20 0 CDADMM c1nc(C2CC2)oc1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001593590309 1174158240 /nfs/dbraw/zinc/15/82/40/1174158240.db2.gz NTJDFMKAUQIEMV-UHFFFAOYSA-N -1 1 272.272 1.067 20 0 CDADMM c1nc(C2CC2)oc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001593590309 1174158243 /nfs/dbraw/zinc/15/82/43/1174158243.db2.gz NTJDFMKAUQIEMV-UHFFFAOYSA-N -1 1 272.272 1.067 20 0 CDADMM Cc1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)co1 ZINC001600082931 1174356252 /nfs/dbraw/zinc/35/62/52/1174356252.db2.gz HAHCBJNNMHHVPA-SNVBAGLBSA-N -1 1 280.324 1.209 20 0 CDADMM Cc1cc(CNC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)n[nH]1 ZINC001600198563 1174403728 /nfs/dbraw/zinc/40/37/28/1174403728.db2.gz OIAZAGNSGMUMQI-CJNGLKHVSA-N -1 1 299.330 1.593 20 0 CDADMM Cc1cc(NC(=O)[C@H](C)N2CC[C@H](C(=O)[O-])[C@H]2C)on1 ZINC001600249695 1174422655 /nfs/dbraw/zinc/42/26/55/1174422655.db2.gz LBMVCDHXJOWSKZ-UTLUCORTSA-N -1 1 281.312 1.105 20 0 CDADMM Cc1ccc(NC(=O)CN2CC[C@@H](C)C2)c(C(=O)[O-])c1 ZINC001600447385 1174478578 /nfs/dbraw/zinc/47/85/78/1174478578.db2.gz AVZYUOWFNUKKTF-LLVKDONJSA-N -1 1 276.336 1.974 20 0 CDADMM Cc1cnn(C)c1CN(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC001600635654 1174545481 /nfs/dbraw/zinc/54/54/81/1174545481.db2.gz QEZOYHGGSXYZTO-LBPRGKRZSA-N -1 1 281.356 1.184 20 0 CDADMM Cc1nc([C@H]2CCCN2CCC(=O)NCC(=O)[O-])cs1 ZINC001600716928 1174577925 /nfs/dbraw/zinc/57/79/25/1174577925.db2.gz CWXPYMWPFONVDW-LLVKDONJSA-N -1 1 297.380 1.179 20 0 CDADMM Cc1ncc(NC(=O)c2cncc3nc[nH]c32)cc1C(=O)[O-] ZINC001600741713 1174587536 /nfs/dbraw/zinc/58/75/36/1174587536.db2.gz CHHKDTBZQBRYRW-UHFFFAOYSA-N -1 1 297.274 1.612 20 0 CDADMM Cc1oc(C(=O)[O-])cc1CNCc1ccc(C(N)=O)cc1 ZINC001600831687 1174635521 /nfs/dbraw/zinc/63/55/21/1174635521.db2.gz XZVGDCIOMUBNMU-UHFFFAOYSA-N -1 1 288.303 1.675 20 0 CDADMM Cc1oc(C(=O)[O-])cc1COC(=O)[C@H](C(C)C)N(C)C ZINC001600833447 1174636711 /nfs/dbraw/zinc/63/67/11/1174636711.db2.gz SIMILDLQZBBUQK-LBPRGKRZSA-N -1 1 283.324 1.916 20 0 CDADMM Cn1c(CN2CCc3cc[nH]c(=O)c3C2)ccc1C(=O)[O-] ZINC001600914550 1174661012 /nfs/dbraw/zinc/66/10/12/1174661012.db2.gz IXZGWECYHFHYIC-UHFFFAOYSA-N -1 1 287.319 1.382 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)c1n[nH]c2ccc(Cl)cc21 ZINC001601529390 1174894693 /nfs/dbraw/zinc/89/46/93/1174894693.db2.gz RBXPQVAMVSTMPX-HTRCEHHLSA-N -1 1 293.710 1.667 20 0 CDADMM O=C([O-])[C@H](c1ccsc1)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001601696588 1174949804 /nfs/dbraw/zinc/94/98/04/1174949804.db2.gz ICBPBYPHXNTOGN-SRVKXCTJSA-N -1 1 284.356 1.602 20 0 CDADMM O=C([O-])C12CC(C(=O)Nc3ccc(F)c(F)c3O)(C1)C2 ZINC001601729332 1174971666 /nfs/dbraw/zinc/97/16/66/1174971666.db2.gz DEUQMOXDMZEHFC-UHFFFAOYSA-N -1 1 283.230 1.864 20 0 CDADMM O=C([O-])/C=C/c1ccc(CN[C@]2(CCO)CCOC2)o1 ZINC001601879426 1175048306 /nfs/dbraw/zinc/04/83/06/1175048306.db2.gz IWPBPRSWVKAFFC-RDFMZFSFSA-N -1 1 281.308 1.009 20 0 CDADMM O=C([O-])Cc1c[nH]n(Cc2ccc(F)c(F)c2)c1=O ZINC001601941493 1175076818 /nfs/dbraw/zinc/07/68/18/1175076818.db2.gz TYDWHTUIYPZRKQ-QMMMGPOBSA-N -1 1 268.219 1.384 20 0 CDADMM O=C([O-])[C@H]1CCCN(CN2C[C@H](C3CCCC3)CC2=O)C1 ZINC001602212207 1175168152 /nfs/dbraw/zinc/16/81/52/1175168152.db2.gz KJBWUWZVFFPEGE-UONOGXRCSA-N -1 1 294.395 1.779 20 0 CDADMM O=C([O-])c1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)[nH]1 ZINC001602339111 1175214498 /nfs/dbraw/zinc/21/44/98/1175214498.db2.gz BFRIWZWFUTUTNZ-WDEREUQCSA-N -1 1 278.308 1.256 20 0 CDADMM O=C([O-])c1ccccc1CCN1C[C@@H]2C[C@H]1C[S@]2=O ZINC001602467008 1175249505 /nfs/dbraw/zinc/24/95/05/1175249505.db2.gz QTXXFISTQKEYLY-SYTFOFBDSA-N -1 1 279.361 1.133 20 0 CDADMM O=C([O-])c1ccoc1CN1CC[C@@](O)(C(F)F)C1 ZINC001602484973 1175258004 /nfs/dbraw/zinc/25/80/04/1175258004.db2.gz BUSORAPEQDNGLI-NSHDSACASA-N -1 1 261.224 1.180 20 0 CDADMM O=C([O-])c1cnc(CNC[C@H](O)Cc2ccccc2)s1 ZINC001602521604 1175270957 /nfs/dbraw/zinc/27/09/57/1175270957.db2.gz WIUQFMKHOADPCW-LLVKDONJSA-N -1 1 292.360 1.535 20 0 CDADMM O=C([O-])c1cnoc1CN1CC[C@]2(CC2(F)F)C1 ZINC001602547300 1175287836 /nfs/dbraw/zinc/28/78/36/1175287836.db2.gz HQHZWGBYIWHXID-JTQLQIEISA-N -1 1 258.224 1.604 20 0 CDADMM O=C([O-])c1nccnc1NCCN1CCc2ccccc2C1 ZINC001602579607 1175304501 /nfs/dbraw/zinc/30/45/01/1175304501.db2.gz CKZDZFKPXFECPT-UHFFFAOYSA-N -1 1 298.346 1.645 20 0 CDADMM C=C/C=C/CCNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001602807817 1175410859 /nfs/dbraw/zinc/41/08/59/1175410859.db2.gz QIWVQAWRJQVYFP-ONEGZZNKSA-N -1 1 285.311 1.516 20 0 CDADMM C=C/C=C/CCNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001602807817 1175410863 /nfs/dbraw/zinc/41/08/63/1175410863.db2.gz QIWVQAWRJQVYFP-ONEGZZNKSA-N -1 1 285.311 1.516 20 0 CDADMM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)o1)[C@H]1CCCO1 ZINC001603037443 1175480253 /nfs/dbraw/zinc/48/02/53/1175480253.db2.gz OXIDUZBBHASZBJ-WCBMZHEXSA-N -1 1 292.295 1.318 20 0 CDADMM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)o1)[C@H]1CCCO1 ZINC001603037443 1175480255 /nfs/dbraw/zinc/48/02/55/1175480255.db2.gz OXIDUZBBHASZBJ-WCBMZHEXSA-N -1 1 292.295 1.318 20 0 CDADMM CC(C)(C)CCNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603075092 1175486077 /nfs/dbraw/zinc/48/60/77/1175486077.db2.gz YGLDAJYNPVHXPO-UHFFFAOYSA-N -1 1 263.301 1.626 20 0 CDADMM CC(C)(C)CCNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001603075092 1175486079 /nfs/dbraw/zinc/48/60/79/1175486079.db2.gz YGLDAJYNPVHXPO-UHFFFAOYSA-N -1 1 263.301 1.626 20 0 CDADMM CC(C)(C)[C@H]([NH2+]Cc1csc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001603111873 1175494006 /nfs/dbraw/zinc/49/40/06/1175494006.db2.gz RACHHLPSQQRWOH-SECBINFHSA-N -1 1 295.368 1.517 20 0 CDADMM CC(=O)c1cccc(CN2C[C@H](C(=O)[O-])C[C@H](O)C2)c1 ZINC001603118671 1175494756 /nfs/dbraw/zinc/49/47/56/1175494756.db2.gz URMSMXOMEQOQFZ-KGLIPLIRSA-N -1 1 277.320 1.157 20 0 CDADMM CC(C)C1(C)CCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001603238721 1175523023 /nfs/dbraw/zinc/52/30/23/1175523023.db2.gz UFMOOKFPCJYBLR-UHFFFAOYSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)C1(C)CCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001603238721 1175523028 /nfs/dbraw/zinc/52/30/28/1175523028.db2.gz UFMOOKFPCJYBLR-UHFFFAOYSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)[C@H]1CCCN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001603244616 1175524574 /nfs/dbraw/zinc/52/45/74/1175524574.db2.gz RZPBSSQDOUKRSJ-JTQLQIEISA-N -1 1 289.339 1.968 20 0 CDADMM CC(C)[C@H]1CCCN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001603244616 1175524580 /nfs/dbraw/zinc/52/45/80/1175524580.db2.gz RZPBSSQDOUKRSJ-JTQLQIEISA-N -1 1 289.339 1.968 20 0 CDADMM Cn1c(CCNC(=O)c2cncc([O-])c2)nc2ccccc21 ZINC000126976957 1175529434 /nfs/dbraw/zinc/52/94/34/1175529434.db2.gz YDVBCSRYPCIJJX-UHFFFAOYSA-N -1 1 296.330 1.646 20 0 CDADMM CC(C)(C)C(=O)CCN1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001603295549 1175532858 /nfs/dbraw/zinc/53/28/58/1175532858.db2.gz BVVSDJVBRGSFPM-CQSZACIVSA-N -1 1 282.340 1.297 20 0 CDADMM CC(C)Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001603313939 1175538769 /nfs/dbraw/zinc/53/87/69/1175538769.db2.gz XTZNSYQUIJQTBF-UHFFFAOYSA-N -1 1 269.308 1.838 20 0 CDADMM C[C@@H]([N@H+](C)Cn1cccc(-c2nnn[n-]2)c1=O)C1(C)CC1 ZINC001603599223 1175577476 /nfs/dbraw/zinc/57/74/76/1175577476.db2.gz QRKFPRUAKSNYQL-SNVBAGLBSA-N -1 1 288.355 1.106 20 0 CDADMM C[C@]1(C(=O)n2ncc(-c3nn[n-]n3)c2N)CC=CCC1 ZINC001603754651 1175617705 /nfs/dbraw/zinc/61/77/05/1175617705.db2.gz DQTJTTWNJTVVQU-LBPRGKRZSA-N -1 1 273.300 1.032 20 0 CDADMM CC1(C)C[C@H](O)CCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001603765245 1175621687 /nfs/dbraw/zinc/62/16/87/1175621687.db2.gz OXLAINGDWMRVNJ-LLVKDONJSA-N -1 1 288.355 1.249 20 0 CDADMM CC1(C)C[C@H](O)CCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001603765245 1175621689 /nfs/dbraw/zinc/62/16/89/1175621689.db2.gz OXLAINGDWMRVNJ-LLVKDONJSA-N -1 1 288.355 1.249 20 0 CDADMM C[C@]1(CNC(=O)c2csc(-c3nn[n-]n3)c2)CC1(F)F ZINC001603805118 1175637667 /nfs/dbraw/zinc/63/76/67/1175637667.db2.gz QERGCIYCBZQMTB-SNVBAGLBSA-N -1 1 299.306 1.703 20 0 CDADMM C[C@H]1CCC[C@@H](CC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC001603884729 1175669862 /nfs/dbraw/zinc/66/98/62/1175669862.db2.gz SZUNPKNUMMFIKR-DTWKUNHWSA-N -1 1 289.343 1.502 20 0 CDADMM C[C@@H]1CCN(c2ccc(-c3nn[nH]n3)c(N)[nH+]2)C[C@H]1F ZINC001603908564 1175680549 /nfs/dbraw/zinc/68/05/49/1175680549.db2.gz DTTJGVBPQFAGJH-VXNVDRBHSA-N -1 1 277.307 1.028 20 0 CDADMM C[C@@H]1[C@@H](C)[C@H](C)CN1c1ncncc1-c1nn[n-]n1 ZINC001603944022 1175691917 /nfs/dbraw/zinc/69/19/17/1175691917.db2.gz AXJACZGSKGZZKW-HRDYMLBCSA-N -1 1 259.317 1.137 20 0 CDADMM CC(C)[C@H](C(=O)OCc1cc(C(=O)[O-])co1)N(C)C ZINC001603972665 1175702827 /nfs/dbraw/zinc/70/28/27/1175702827.db2.gz XXMYBOGLXWICEK-LLVKDONJSA-N -1 1 269.297 1.607 20 0 CDADMM CC[C@@H](C)C[C@H](C)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001604000960 1175713112 /nfs/dbraw/zinc/71/31/12/1175713112.db2.gz 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CC(C)S(=O)(=O)CCCN1CCC[C@](C)(C(=O)[O-])C1 ZINC000696720624 976822272 /nfs/dbraw/zinc/82/22/72/976822272.db2.gz LJKHKWLTQXEQSX-ZDUSSCGKSA-N -1 1 291.413 1.386 20 0 CDADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(=O)N(C)CC1 ZINC000701502624 977019482 /nfs/dbraw/zinc/01/94/82/977019482.db2.gz YDMJYKKXCHJDII-VIFPVBQESA-N -1 1 266.297 1.203 20 0 CDADMM CC1(C)C[C@]1(C)CNS(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000701990612 977058811 /nfs/dbraw/zinc/05/88/11/977058811.db2.gz OQHGHNFBPPOOBS-LLVKDONJSA-N -1 1 288.325 1.087 20 0 CDADMM CO[C@]1(C(=O)[O-])CCN(Cc2c(C)nn(C)c2Cl)C1 ZINC000703776744 977196578 /nfs/dbraw/zinc/19/65/78/977196578.db2.gz MRTVZFMGYDFAIG-GFCCVEGCSA-N -1 1 287.747 1.057 20 0 CDADMM Cc1ccc(NC(=O)[C@@]2(C)CNCCO2)cc1C(=O)[O-] ZINC000710689591 977520001 /nfs/dbraw/zinc/52/00/01/977520001.db2.gz ZNBJEHJSOSOFDE-CQSZACIVSA-N -1 1 278.308 1.010 20 0 CDADMM O=C([O-])c1csc(CN2CCN(CCCF)CC2)c1 ZINC000711407238 977544948 /nfs/dbraw/zinc/54/49/48/977544948.db2.gz MJUKRWNJYHQPMU-UHFFFAOYSA-N -1 1 286.372 1.924 20 0 CDADMM C[C@@H](CC(=O)[O-])C(=O)OCc1cc(C2CC2)[nH]n1 ZINC001592365210 977861856 /nfs/dbraw/zinc/86/18/56/977861856.db2.gz OYQKODLWLVTTDC-ZETCQYMHSA-N -1 1 252.270 1.441 20 0 CDADMM C[C@@H](CC(=O)[O-])C(=O)Nc1nnc(C2CCC2)[nH]1 ZINC001592366584 977867868 /nfs/dbraw/zinc/86/78/68/977867868.db2.gz BQIYTCORPIYCHE-LURJTMIESA-N -1 1 252.274 1.122 20 0 CDADMM C[C@@H](CC(=O)[O-])C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC001592366584 977867890 /nfs/dbraw/zinc/86/78/90/977867890.db2.gz BQIYTCORPIYCHE-LURJTMIESA-N -1 1 252.274 1.122 20 0 CDADMM C[C@H](CC(=O)[O-])CC(=O)Nc1n[nH]c2cc(O)ccc21 ZINC001592396734 977962297 /nfs/dbraw/zinc/96/22/97/977962297.db2.gz ZYDNQMODLKABRT-ZETCQYMHSA-N -1 1 277.280 1.708 20 0 CDADMM CCO[C@@H](CC)C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001604401354 1163178127 /nfs/dbraw/zinc/17/81/27/1163178127.db2.gz CMQCJIRCIHKSPM-JTQLQIEISA-N -1 1 291.311 1.120 20 0 CDADMM CCO[C@@H](CC)C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001604401354 1163178131 /nfs/dbraw/zinc/17/81/31/1163178131.db2.gz CMQCJIRCIHKSPM-JTQLQIEISA-N -1 1 291.311 1.120 20 0 CDADMM CC(C)[C@@H](C)C(=O)N(C)CCNC(=O)c1ncccc1[O-] ZINC001386851805 978096371 /nfs/dbraw/zinc/09/63/71/978096371.db2.gz LIPBUADHBVVZAR-LLVKDONJSA-N -1 1 293.367 1.268 20 0 CDADMM CCC(CC)(NCC(=O)Nc1ccccn1)C(=O)[O-] ZINC001595101594 979409845 /nfs/dbraw/zinc/40/98/45/979409845.db2.gz YALBCKOOIXYWHH-UHFFFAOYSA-N -1 1 265.313 1.253 20 0 CDADMM C[C@H](c1nc(C(=O)[O-])co1)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001604477899 1163195965 /nfs/dbraw/zinc/19/59/65/1163195965.db2.gz QMGJVFCHWRACCT-CHWFTXMASA-N -1 1 280.324 1.527 20 0 CDADMM CCSCC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001604483085 1163200209 /nfs/dbraw/zinc/20/02/09/1163200209.db2.gz WXNANHXIGPUMFW-MRVPVSSYSA-N -1 1 279.373 1.600 20 0 CDADMM CCSCC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001604483085 1163200215 /nfs/dbraw/zinc/20/02/15/1163200215.db2.gz WXNANHXIGPUMFW-MRVPVSSYSA-N -1 1 279.373 1.600 20 0 CDADMM C[C@]1(C(=O)[O-])CCCN(Cc2ncccc2F)C1 ZINC001604496077 1163208903 /nfs/dbraw/zinc/20/89/03/1163208903.db2.gz DQMQYESRZXULRK-ZDUSSCGKSA-N -1 1 252.289 1.907 20 0 CDADMM CCC1(CC)CN(CN2CC[C@@H](C(=O)[O-])[C@H]2C)C(=O)O1 ZINC001595376254 980903870 /nfs/dbraw/zinc/90/38/70/980903870.db2.gz RVIJVXYDLBWOGH-GHMZBOCLSA-N -1 1 284.356 1.750 20 0 CDADMM CC[C@@H]1CCC[C@@H]1C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001595434989 981061534 /nfs/dbraw/zinc/06/15/34/981061534.db2.gz DLPFFGBBGFWEGQ-MCIONIFRSA-N -1 1 296.411 1.820 20 0 CDADMM CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cncc(C(=O)[O-])c1 ZINC001594770289 981737503 /nfs/dbraw/zinc/73/75/03/981737503.db2.gz NEBBWGCASPVOOC-SNVBAGLBSA-N -1 1 252.270 1.075 20 0 CDADMM CCCC[C@H](NC(=O)CN1CC[C@@H](C)C1)C(=O)[O-] ZINC001595635410 981903470 /nfs/dbraw/zinc/90/34/70/981903470.db2.gz SGPDUYJHFRIQKX-MNOVXSKESA-N -1 1 256.346 1.088 20 0 CDADMM CCCC[C@@H](NCC(=O)NC1CCCC1)C(=O)[O-] ZINC001595639100 981954803 /nfs/dbraw/zinc/95/48/03/981954803.db2.gz PBPLDXYBLKFESL-LLVKDONJSA-N -1 1 256.346 1.278 20 0 CDADMM CC[C@](C)(CC(=O)[O-])NCc1ncc(C(=O)OC)s1 ZINC001594828877 981999974 /nfs/dbraw/zinc/99/99/74/981999974.db2.gz UEKDYQSRJGKASW-GFCCVEGCSA-N -1 1 286.353 1.663 20 0 CDADMM CC/C(C)=C/C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001594861286 982146476 /nfs/dbraw/zinc/14/64/76/982146476.db2.gz WTMOFEJOOXSZGI-LMMOQWNQSA-N -1 1 268.357 1.350 20 0 CDADMM CCCCCC[C@H](O)CN1CCSC[C@H]1C(=O)[O-] ZINC001595715705 982314616 /nfs/dbraw/zinc/31/46/16/982314616.db2.gz ZVQSCDRMBUNTBN-RYUDHWBXSA-N -1 1 275.414 1.820 20 0 CDADMM CCCCCNC(=O)CN1CCC[C@@H](CCC(=O)[O-])C1 ZINC001595716765 982325624 /nfs/dbraw/zinc/32/56/24/982325624.db2.gz LLHVOIOZVAJUTG-ZDUSSCGKSA-N -1 1 284.400 1.870 20 0 CDADMM CC[C@H](C)[C@@H](N[C@H]1CCN(c2ccccc2)C1=O)C(=O)[O-] ZINC001594916833 982441333 /nfs/dbraw/zinc/44/13/33/982441333.db2.gz LKMZSXKFHXVZDZ-FPMFFAJLSA-N -1 1 290.363 1.881 20 0 CDADMM CC[C@@H](C)NC(=S)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001594994145 982869270 /nfs/dbraw/zinc/86/92/70/982869270.db2.gz GSLYJQSNLJLRHQ-MNOVXSKESA-N -1 1 287.429 1.140 20 0 CDADMM CCCNC(=O)[C@H]1CCCN(Cc2oncc2C(=O)[O-])C1 ZINC001595916282 983023718 /nfs/dbraw/zinc/02/37/18/983023718.db2.gz RRJHFLMNACNPKY-JTQLQIEISA-N -1 1 295.339 1.111 20 0 CDADMM CCCc1c(C(=O)N2CCNCC2)[nH]c(C)c1C(=O)[O-] ZINC001596032477 983310637 /nfs/dbraw/zinc/31/06/37/983310637.db2.gz XKCYYYBGRIDCTK-UHFFFAOYSA-N -1 1 279.340 1.019 20 0 CDADMM CCN(CC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)C1CC1 ZINC001596202826 983588962 /nfs/dbraw/zinc/58/89/62/983588962.db2.gz ARDCJPHMMHXVIZ-QMMMGPOBSA-N -1 1 297.380 1.503 20 0 CDADMM CCNc1nc(CN2CC[C@H](C(=O)[O-])[C@@H]2C)cs1 ZINC001596505269 984262677 /nfs/dbraw/zinc/26/26/77/984262677.db2.gz POCJOBWAOFTGHW-WPRPVWTQSA-N -1 1 269.370 1.870 20 0 CDADMM C/C(=C/C(=O)N1CCN(CC(=O)[O-])CC1)c1cccs1 ZINC001588937647 984617719 /nfs/dbraw/zinc/61/77/19/984617719.db2.gz NZAJXQDKZVRKQU-LUAWRHEFSA-N -1 1 294.376 1.380 20 0 CDADMM CCOC(CN1CC[C@H](C)C[C@@H]1C(=O)[O-])OCC ZINC001596790214 985264445 /nfs/dbraw/zinc/26/44/45/985264445.db2.gz JUJBXFZWXIJDKL-WDEREUQCSA-N -1 1 259.346 1.571 20 0 CDADMM CC(=O)NCCN(C)Cc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001589137845 985442824 /nfs/dbraw/zinc/44/28/24/985442824.db2.gz QYRTVDDKJQLDBT-UHFFFAOYSA-N -1 1 279.340 1.158 20 0 CDADMM C[C@@H]1CC[C@@H](CN2CCc3[nH]nc(C(=O)[O-])c3C2)O1 ZINC001604699440 1163289096 /nfs/dbraw/zinc/28/90/96/1163289096.db2.gz WIXOXOFFGOUDTE-BDAKNGLRSA-N -1 1 265.313 1.034 20 0 CDADMM CCOC[C@@H](C(=O)[O-])N(C)C[C@H]1CCCC2(CCC2)O1 ZINC001596884723 985776075 /nfs/dbraw/zinc/77/60/75/985776075.db2.gz OTCHGNUIYPUIEA-OLZOCXBDSA-N -1 1 285.384 1.900 20 0 CDADMM Cc1n[nH]c(CNCc2ccc(CC(=O)[O-])cc2)c1C ZINC001599968772 985965227 /nfs/dbraw/zinc/96/52/27/985965227.db2.gz OYRHQTSPFNURRJ-UHFFFAOYSA-N -1 1 273.336 1.943 20 0 CDADMM CCON(CC)C(=O)CNCc1cccc(C(=O)[O-])c1 ZINC001596963397 986158874 /nfs/dbraw/zinc/15/88/74/986158874.db2.gz HOUKSFGMLBZAFV-UHFFFAOYSA-N -1 1 280.324 1.274 20 0 CDADMM C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])o2)CC[C@H]1C(=O)[O-] ZINC001594540197 986173551 /nfs/dbraw/zinc/17/35/51/986173551.db2.gz XXLZPRIQJBAQBG-PSASIEDQSA-N -1 1 267.281 1.520 20 0 CDADMM C[C@@H]1COC[C@H]1NCc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001594592834 986499679 /nfs/dbraw/zinc/49/96/79/986499679.db2.gz NTQZXQRNJHWYQT-PRHODGIISA-N -1 1 275.308 1.386 20 0 CDADMM CCOc1ccc(CN2C[C@H](O)C[C@H]2C(=O)[O-])c(C)c1 ZINC001597102136 986727292 /nfs/dbraw/zinc/72/72/92/986727292.db2.gz OTZYYYJGKOKVSX-OCCSQVGLSA-N -1 1 279.336 1.414 20 0 CDADMM C[C@H](C(=O)[O-])c1cccc(NC(=O)Cc2nnc[nH]2)c1 ZINC001589532406 987214100 /nfs/dbraw/zinc/21/41/00/987214100.db2.gz DEVDVUMVJSJZEK-QMMMGPOBSA-N -1 1 274.280 1.174 20 0 CDADMM CC(C)(C(=O)NCc1ccc(C(=O)[O-])nc1)c1cnc[nH]1 ZINC001589572754 987345977 /nfs/dbraw/zinc/34/59/77/987345977.db2.gz VTROZFNJZMTEEB-UHFFFAOYSA-N -1 1 288.307 1.097 20 0 CDADMM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001604762952 1163314882 /nfs/dbraw/zinc/31/48/82/1163314882.db2.gz BYYUNUBVAGHJSK-XPLICSAQSA-N -1 1 295.314 1.101 20 0 CDADMM CC[C@H](C)[C@H]([NH2+]CCC[N-]C(=O)C(F)(F)F)C(=O)[O-] ZINC001597324832 987457606 /nfs/dbraw/zinc/45/76/06/987457606.db2.gz GUHVIYFHSXWQNG-YUMQZZPRSA-N -1 1 284.278 1.144 20 0 CDADMM CCc1cc(CNC(=O)NCc2cc(C(=O)[O-])co2)n[nH]1 ZINC001597478809 987965917 /nfs/dbraw/zinc/96/59/17/987965917.db2.gz WEMASPJAEDCIBE-UHFFFAOYSA-N -1 1 292.295 1.263 20 0 CDADMM CCc1ccc(CN2CCC[C@H](O)[C@H]2C(=O)[O-])s1 ZINC001597526317 988171304 /nfs/dbraw/zinc/17/13/04/988171304.db2.gz UUGYIWUWQQVTLR-RYUDHWBXSA-N -1 1 269.366 1.720 20 0 CDADMM C[C@H]1OCC[C@@]12CN(Cc1c[nH]c(C(=O)[O-])c1)C[C@@H](C)O2 ZINC001604797140 1163328758 /nfs/dbraw/zinc/32/87/58/1163328758.db2.gz IESDJXHSBSVGGT-UEKVPHQBSA-N -1 1 294.351 1.481 20 0 CDADMM CCc1nnc([C@H](C)OC(=O)C[C@@H](C)CC(=O)[O-])[nH]1 ZINC001597644672 988655356 /nfs/dbraw/zinc/65/53/56/988655356.db2.gz QZXASUYGEGFSOK-YUMQZZPRSA-N -1 1 269.301 1.472 20 0 CDADMM CCc1nc(C)c(CN[C@]2(CC(=O)[O-])CCOC2)o1 ZINC001597660748 988727507 /nfs/dbraw/zinc/72/75/07/988727507.db2.gz CGUYENBFIZKFNX-ZDUSSCGKSA-N -1 1 268.313 1.269 20 0 CDADMM CCc1ncc(CNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)[nH]1 ZINC001597669193 988756947 /nfs/dbraw/zinc/75/69/47/988756947.db2.gz WYQCYFFROKGFIK-UWVGGRQHSA-N -1 1 279.340 1.479 20 0 CDADMM CCc1nc(CNCc2c3ccccc3[nH]c2C(=O)[O-])n[nH]1 ZINC001597670332 988767536 /nfs/dbraw/zinc/76/75/36/988767536.db2.gz XZNBHSYQHOPNPZ-UHFFFAOYSA-N -1 1 299.334 1.836 20 0 CDADMM C[C@@H]1CN(CN2Cc3ccc(F)cc3C2=O)C[C@H]1C(=O)[O-] ZINC001599865962 989257316 /nfs/dbraw/zinc/25/73/16/989257316.db2.gz PMZIDIXJLXTJAF-NOZJJQNGSA-N -1 1 292.310 1.392 20 0 CDADMM CCn1ccnc1[C@@H]1CCCCN1C[C@](C)(O)C(=O)[O-] ZINC001597916513 989836190 /nfs/dbraw/zinc/83/61/90/989836190.db2.gz NKDSPRMCLZWELL-FZMZJTMJSA-N -1 1 281.356 1.266 20 0 CDADMM CC(C)(C)n1cc(CN[C@@]2(CC(=O)[O-])CCCOC2)nn1 ZINC001590593567 990247945 /nfs/dbraw/zinc/24/79/45/990247945.db2.gz LMBZVWUYZNZCPB-CQSZACIVSA-N -1 1 296.371 1.147 20 0 CDADMM COc1cnc(F)c(CN2CCC[C@@H]2CC(=O)[O-])c1 ZINC001599724233 991590877 /nfs/dbraw/zinc/59/08/77/991590877.db2.gz DEJAOHWZVKMRQY-SNVBAGLBSA-N -1 1 268.288 1.668 20 0 CDADMM CC(C)C[C@H](NC(=O)CN1C[C@@H]2CCCC[C@@]21C)C(=O)[O-] ZINC001591169652 991953459 /nfs/dbraw/zinc/95/34/59/991953459.db2.gz JNDGWSCLMNGBBX-XEZPLFJOSA-N -1 1 296.411 1.866 20 0 CDADMM CC(C)N(CCC(=O)[O-])C(=O)c1cc(F)cc(F)c1O ZINC001591582049 992790524 /nfs/dbraw/zinc/79/05/24/992790524.db2.gz AAGMUFBEKYHFFR-UHFFFAOYSA-N -1 1 287.262 1.996 20 0 CDADMM CCC(CC)(NC(=O)[C@H]1CCN1C(C)(C)C)C(=O)[O-] ZINC001605004737 1163411840 /nfs/dbraw/zinc/41/18/40/1163411840.db2.gz NSCNIAQPWUTAMQ-SNVBAGLBSA-N -1 1 270.373 1.619 20 0 CDADMM CN1CCN(c2ccccc2NC(=O)CCC(=O)[O-])CC1 ZINC001598622587 994029213 /nfs/dbraw/zinc/02/92/13/994029213.db2.gz ABHPTPDGHZSUOZ-UHFFFAOYSA-N -1 1 291.351 1.242 20 0 CDADMM COc1cccc(C(=O)[O-])c1CN1CCN(C)CC1 ZINC001599644143 994401089 /nfs/dbraw/zinc/40/10/89/994401089.db2.gz GKJKWIYCFLBMJE-UHFFFAOYSA-N -1 1 264.325 1.141 20 0 CDADMM COc1cccc([C@H](C(=O)[O-])N2C[C@@H](C)[C@H](O)C2)c1 ZINC001599649463 994474138 /nfs/dbraw/zinc/47/41/38/994474138.db2.gz GCLKCSYKJDUYJL-OASPWFOLSA-N -1 1 265.309 1.134 20 0 CDADMM C[C@H](NCc1ccc(C(=O)[O-])n1C)[C@@H](O)C(F)(F)F ZINC001593297165 994700919 /nfs/dbraw/zinc/70/09/19/994700919.db2.gz SJUFLKQPNAWVOP-IMTBSYHQSA-N -1 1 280.246 1.125 20 0 CDADMM C[C@@H](NCc1ccnn1C)c1ccc(OCC(=O)[O-])cc1 ZINC001593311083 994777184 /nfs/dbraw/zinc/77/71/84/994777184.db2.gz MSRQSUNTTNDJGV-LLVKDONJSA-N -1 1 289.335 1.734 20 0 CDADMM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCC[C@H](CC(N)=O)C1 ZINC001593731157 996300295 /nfs/dbraw/zinc/30/02/95/996300295.db2.gz CGYJRFMBMAIGPR-DTWKUNHWSA-N -1 1 297.380 1.490 20 0 CDADMM COC(=O)[C@H]1CN(Cc2nc(C)sc2C)C[C@@H]1C(=O)[O-] ZINC001598824560 996368373 /nfs/dbraw/zinc/36/83/73/996368373.db2.gz HOQVCYRPPTUPKA-UWVGGRQHSA-N -1 1 298.364 1.066 20 0 CDADMM COC[C@@H](NCc1ccc(C(=O)[O-])cn1)[C@H]1CCCO1 ZINC001599176542 996857082 /nfs/dbraw/zinc/85/70/82/996857082.db2.gz DTIZHVSSBQZFDA-CHWSQXEVSA-N -1 1 280.324 1.063 20 0 CDADMM COC[C@@H]1CCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC001599207720 997440824 /nfs/dbraw/zinc/44/08/24/997440824.db2.gz ZLEOJXGBVHQRNX-JTQLQIEISA-N -1 1 253.273 1.745 20 0 CDADMM COC(=O)c1cc(C(=O)[O-])n(CN2CC[C@@H]3CCC[C@@H]32)n1 ZINC001598922542 997593608 /nfs/dbraw/zinc/59/36/08/997593608.db2.gz QSAGIPQPKIQNKZ-ONGXEEELSA-N -1 1 293.323 1.200 20 0 CDADMM CC[C@@]1(CO)CCCN(Cc2cncc(C(=O)[O-])c2)C1 ZINC001605144248 1163466698 /nfs/dbraw/zinc/46/66/98/1163466698.db2.gz PRDIDGSICUFFQM-OAHLLOKOSA-N -1 1 278.352 1.764 20 0 CDADMM COCC[C@@H]1COCCN1Cc1ccccc1C(=O)[O-] ZINC001599220714 997663414 /nfs/dbraw/zinc/66/34/14/997663414.db2.gz DTMAKFGMCQDWOY-CYBMUJFWSA-N -1 1 279.336 1.622 20 0 CDADMM COC1CCN(Cc2cc(C)c(C(=O)[O-])[nH]2)CC1 ZINC001599125123 997827777 /nfs/dbraw/zinc/82/77/77/997827777.db2.gz YWFUOPKJDPGIHQ-UHFFFAOYSA-N -1 1 252.314 1.632 20 0 CDADMM CCC1CCC([NH2+]Cc2nnc[n-]2)(C(=O)[O-])CC1 ZINC001605157649 1163471945 /nfs/dbraw/zinc/47/19/45/1163471945.db2.gz SZZRQVZTIQVEHJ-UHFFFAOYSA-N -1 1 252.318 1.318 20 0 CDADMM COCCN(Cn1cc(C(=O)[O-])nn1)[C@H]1CC[C@H](C)C1 ZINC001599240175 998025225 /nfs/dbraw/zinc/02/52/25/998025225.db2.gz SMCYSZAFSRPOBM-QWRGUYRKSA-N -1 1 282.344 1.071 20 0 CDADMM COCCNCC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001599244813 998121381 /nfs/dbraw/zinc/12/13/81/998121381.db2.gz ITTWETAVTLDNKE-NSHDSACASA-N -1 1 294.351 1.124 20 0 CDADMM COCCO[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1 ZINC001599245898 998143140 /nfs/dbraw/zinc/14/31/40/998143140.db2.gz HYVDRAGNDZHUPZ-KBPBESRZSA-N -1 1 279.336 1.550 20 0 CDADMM Cc1[nH]n(-c2cccc(F)c2F)c(=O)c1CC(=O)[O-] ZINC001594113570 998226419 /nfs/dbraw/zinc/22/64/19/998226419.db2.gz LJBADRCJOCZOAH-SSDOTTSWSA-N -1 1 268.219 1.778 20 0 CDADMM Cc1[nH]n([C@H]2CCCC2(C)C)c(=O)c1CC(=O)[O-] ZINC001594114878 998244272 /nfs/dbraw/zinc/24/42/72/998244272.db2.gz OEZIUMCUVIAIIV-UWVGGRQHSA-N -1 1 252.314 1.874 20 0 CDADMM COC[C@@](C)(NCc1cc(C)sc1C)C(=O)[O-] ZINC001599153549 998329930 /nfs/dbraw/zinc/32/99/30/998329930.db2.gz FCHFCEVKTFARHG-GFCCVEGCSA-N -1 1 257.355 1.944 20 0 CDADMM COc1ccc(CNCc2ccc(C(=O)[O-])n2C)cc1O ZINC001599573269 998399789 /nfs/dbraw/zinc/39/97/89/998399789.db2.gz ZMRMJJSSBABATK-UHFFFAOYSA-N -1 1 290.319 1.727 20 0 CDADMM CC/C=C(\C)C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001605182050 1163478885 /nfs/dbraw/zinc/47/88/85/1163478885.db2.gz KJOUOFDDHKYPAU-JVOXIWMLSA-N -1 1 268.357 1.350 20 0 CDADMM COC(=O)c1ccc([C@H](C)N2CCC(O)(C(=O)[O-])CC2)o1 ZINC001598970161 998500344 /nfs/dbraw/zinc/50/03/44/998500344.db2.gz ZPZOPUTXHRHZRP-VIFPVBQESA-N -1 1 297.307 1.039 20 0 CDADMM CO[C@H](C)[C@@H](C)N[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001599040041 999111114 /nfs/dbraw/zinc/11/11/14/999111114.db2.gz QWAPJJQHPNJHQX-FBIMIBRVSA-N -1 1 296.367 1.914 20 0 CDADMM CO[C@H](CN1CCc2[nH]nc(C(=O)[O-])c2C1)C1CCC1 ZINC001599049696 999178210 /nfs/dbraw/zinc/17/82/10/999178210.db2.gz BVKMZKWKOQZWQC-GFCCVEGCSA-N -1 1 279.340 1.281 20 0 CDADMM C[C@H]1CCN(CC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)C1 ZINC001594414336 999545145 /nfs/dbraw/zinc/54/51/45/999545145.db2.gz BZHDCYLHVMQXOK-SMDDNHRTSA-N -1 1 282.384 1.478 20 0 CDADMM CSCn1c(C(F)(F)F)ccc(-c2nn[n-]n2)c1=O ZINC001605379762 1163542686 /nfs/dbraw/zinc/54/26/86/1163542686.db2.gz AMBXVGGXTNBXOX-UHFFFAOYSA-N -1 1 291.258 1.368 20 0 CDADMM CCN1CC[C@H]1CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001605474306 1163576722 /nfs/dbraw/zinc/57/67/22/1163576722.db2.gz FDQKAQWQABEPAV-NSHDSACASA-N -1 1 280.368 1.232 20 0 CDADMM Cc1nsc(NC[C@H]2COC(C)(C)O2)c1-c1nn[n-]n1 ZINC001606158063 1163792007 /nfs/dbraw/zinc/79/20/07/1163792007.db2.gz HKRUGUYGZQJYHH-ZETCQYMHSA-N -1 1 296.356 1.195 20 0 CDADMM Clc1nc(N[C@@H]2C[C@H]3CC[C@@H]2O3)sc1-c1nnn[n-]1 ZINC001592539552 1173915401 /nfs/dbraw/zinc/91/54/01/1173915401.db2.gz XAJBDMYFLJOIDQ-PBXRRBTRSA-N -1 1 298.759 1.708 20 0 CDADMM Clc1nc(N[C@@H]2C[C@H]3CC[C@@H]2O3)sc1-c1nn[n-]n1 ZINC001592539552 1173915405 /nfs/dbraw/zinc/91/54/05/1173915405.db2.gz XAJBDMYFLJOIDQ-PBXRRBTRSA-N -1 1 298.759 1.708 20 0 CDADMM FC(F)(F)[C@H]1CC[C@H](Cn2ccnc2-c2nnn[n-]2)O1 ZINC001592613602 1173930648 /nfs/dbraw/zinc/93/06/48/1173930648.db2.gz HKBZSRLWIVPQCV-RNFRBKRXSA-N -1 1 288.233 1.173 20 0 CDADMM FC(F)(F)[C@H]1CC[C@H](Cn2ccnc2-c2nn[n-]n2)O1 ZINC001592613602 1173930649 /nfs/dbraw/zinc/93/06/49/1173930649.db2.gz HKBZSRLWIVPQCV-RNFRBKRXSA-N -1 1 288.233 1.173 20 0 CDADMM FC1(F)CCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001592628009 1173934948 /nfs/dbraw/zinc/93/49/48/1173934948.db2.gz LFUUAYMVTXKXFM-UHFFFAOYSA-N -1 1 266.255 1.497 20 0 CDADMM FC1(F)CCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001592628009 1173934957 /nfs/dbraw/zinc/93/49/57/1173934957.db2.gz LFUUAYMVTXKXFM-UHFFFAOYSA-N -1 1 266.255 1.497 20 0 CDADMM O=C(C=C1CCCCC1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592789901 1173989504 /nfs/dbraw/zinc/98/95/04/1173989504.db2.gz BPBFKRUXKKEZFI-UHFFFAOYSA-N -1 1 273.300 1.419 20 0 CDADMM O=C(C=C1CCCCC1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592789901 1173989509 /nfs/dbraw/zinc/98/95/09/1173989509.db2.gz BPBFKRUXKKEZFI-UHFFFAOYSA-N -1 1 273.300 1.419 20 0 CDADMM OCCSc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001593532304 1174106227 /nfs/dbraw/zinc/10/62/27/1174106227.db2.gz OILQMRLBIDTQNO-UHFFFAOYSA-N -1 1 291.258 1.365 20 0 CDADMM OCCSc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001593532304 1174106230 /nfs/dbraw/zinc/10/62/30/1174106230.db2.gz OILQMRLBIDTQNO-UHFFFAOYSA-N -1 1 291.258 1.365 20 0 CDADMM Cc1c(C(=O)[O-])cc(CN2CC[C@@](O)(C(F)F)C2)n1C ZINC001599985065 1174330563 /nfs/dbraw/zinc/33/05/63/1174330563.db2.gz IZHSWGACCQPQQL-ZDUSSCGKSA-N -1 1 288.294 1.234 20 0 CDADMM Cc1c(NC(=O)N2CC(N(C)C)C2)ccc(F)c1C(=O)[O-] ZINC001600035944 1174344272 /nfs/dbraw/zinc/34/42/72/1174344272.db2.gz KTIPLLNTYIKTNC-UHFFFAOYSA-N -1 1 295.314 1.610 20 0 CDADMM Cc1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])oc1C ZINC001600097383 1174360697 /nfs/dbraw/zinc/36/06/97/1174360697.db2.gz IUZFRGQHQGPFHQ-JTQLQIEISA-N -1 1 277.280 1.045 20 0 CDADMM CC(C)c1cc(NC(=O)CCCc2nn[n-]n2)n[nH]1 ZINC001570588735 1170197907 /nfs/dbraw/zinc/19/79/07/1170197907.db2.gz VYOACBPEFDEJEL-UHFFFAOYSA-N -1 1 263.305 1.008 20 0 CDADMM CC[C@H](C(=O)Nc1ccn2ncc(C(=O)[O-])c2c1)N(C)C ZINC001573660706 1170723757 /nfs/dbraw/zinc/72/37/57/1170723757.db2.gz KNDSDERSPHCFEA-LLVKDONJSA-N -1 1 290.323 1.311 20 0 CDADMM CN(C)C(=O)c1ccccc1CN1CC([C@H](F)C(=O)[O-])C1 ZINC001573859213 1170809302 /nfs/dbraw/zinc/80/93/02/1170809302.db2.gz SEVDUHQPSBYAKC-ZDUSSCGKSA-N -1 1 294.326 1.243 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)Cc2cccc(O)c2)n1 ZINC000585682446 342453348 /nfs/dbraw/zinc/45/33/48/342453348.db2.gz SIBNVIXFHDDKJZ-UHFFFAOYSA-N -1 1 289.291 1.473 20 0 CDADMM CC(=O)NCCN(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000308299396 342549133 /nfs/dbraw/zinc/54/91/33/342549133.db2.gz LDRSNVBQBHVRSB-UHFFFAOYSA-N -1 1 270.716 1.254 20 0 CDADMM CC[C@@H](NC(=O)N=c1[n-]sc2ccccc21)C(=O)NC ZINC000640337244 361737782 /nfs/dbraw/zinc/73/77/82/361737782.db2.gz GYVRNKORZJBADX-SECBINFHSA-N -1 1 292.364 1.364 20 0 CDADMM O=C(NC[C@@H](CO)Cc1ccco1)c1c([O-])cccc1F ZINC000533338790 282113467 /nfs/dbraw/zinc/11/34/67/282113467.db2.gz QRCKPOCHELYRTE-JTQLQIEISA-N -1 1 293.294 1.705 20 0 CDADMM CN(CCOCC1CC1)Cc1ccc(C(=O)[O-])o1 ZINC000094990572 342063007 /nfs/dbraw/zinc/06/30/07/342063007.db2.gz VSUVVJQSTDDLIM-UHFFFAOYSA-N -1 1 253.298 1.836 20 0 CDADMM O=c1nc(CN2C[C@H]3CCC(=O)c4cccc2c43)[nH][n-]1 ZINC000274301288 365618257 /nfs/dbraw/zinc/61/82/57/365618257.db2.gz SWXCOLVJFMLBSN-MRVPVSSYSA-N -1 1 270.292 1.178 20 0 CDADMM C[C@H](C[C@H](C)O)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632395376 365641331 /nfs/dbraw/zinc/64/13/31/365641331.db2.gz MHDGULSTLZRKFM-BDAKNGLRSA-N -1 1 271.744 1.864 20 0 CDADMM C[C@@H](CCO)N(C)C(=O)c1ncc2ccccc2c1[O-] ZINC000616565495 342117070 /nfs/dbraw/zinc/11/70/70/342117070.db2.gz ZUWBSVBHUGAFII-JTQLQIEISA-N -1 1 274.320 1.783 20 0 CDADMM CCn1cc(C(=O)NC(C)(C)c2nn[n-]n2)c2ccccc21 ZINC000354778052 365684677 /nfs/dbraw/zinc/68/46/77/365684677.db2.gz GOHFVJBXQKRAQI-UHFFFAOYSA-N -1 1 298.350 1.839 20 0 CDADMM O=C(NCCN1CCC1)c1cccc(Br)c1[O-] ZINC000533570181 282134638 /nfs/dbraw/zinc/13/46/38/282134638.db2.gz YLZHDIXAFFPGTN-UHFFFAOYSA-N -1 1 299.168 1.590 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H](C)OCC(C)C)n1 ZINC000591303585 342624807 /nfs/dbraw/zinc/62/48/07/342624807.db2.gz XMSHMSIGUUTQMF-VIFPVBQESA-N -1 1 283.328 1.586 20 0 CDADMM CN(CCN1CCCC1=O)C(=O)c1c([O-])cccc1F ZINC000124301068 342130866 /nfs/dbraw/zinc/13/08/66/342130866.db2.gz JEFQCAWKGOWPLK-UHFFFAOYSA-N -1 1 280.299 1.226 20 0 CDADMM CC[C@@](C)(O)CNC(=O)c1ncc2ccccc2c1[O-] ZINC000611671806 346844245 /nfs/dbraw/zinc/84/42/45/346844245.db2.gz GNSXLQKPJIVQBV-OAHLLOKOSA-N -1 1 274.320 1.831 20 0 CDADMM CN(C)C(=O)CN1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000629361958 361862626 /nfs/dbraw/zinc/86/26/26/361862626.db2.gz OBXOOSKYWKJXKE-CHWSQXEVSA-N -1 1 282.384 1.430 20 0 CDADMM Cc1cn([C@H](C)c2ccccc2)[nH]c1=NC(=O)c1cn[n-]n1 ZINC000351753623 361916458 /nfs/dbraw/zinc/91/64/58/361916458.db2.gz DEJAVZFSJHAOOQ-LLVKDONJSA-N -1 1 296.334 1.593 20 0 CDADMM COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000600445909 342209610 /nfs/dbraw/zinc/20/96/10/342209610.db2.gz NOUWEMIYSDCXFQ-NKWVEPMBSA-N -1 1 253.229 1.279 20 0 CDADMM CC(C)(NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1)c1nn[n-]n1 ZINC000353469926 539097994 /nfs/dbraw/zinc/09/79/94/539097994.db2.gz HKSLNDDKZGVSDB-RNFRBKRXSA-N -1 1 291.277 1.530 20 0 CDADMM CC(CO)(CO)NC(=O)c1ccc2ccccc2c1[O-] ZINC000126049806 187213194 /nfs/dbraw/zinc/21/31/94/187213194.db2.gz PTKNRUUPQRLHOX-UHFFFAOYSA-N -1 1 275.304 1.019 20 0 CDADMM Cc1cnc(SCC(=O)[C@H]2CCOC2)[n-]c1=O ZINC000310352715 362055359 /nfs/dbraw/zinc/05/53/59/362055359.db2.gz HLTGRKJVDKUOTB-QMMMGPOBSA-N -1 1 254.311 1.188 20 0 CDADMM Cc1nc(SCC(=O)[C@H]2CCCOC2)[n-]c(=O)c1C ZINC000329915727 362090576 /nfs/dbraw/zinc/09/05/76/362090576.db2.gz YNXODXFOVBCRAE-JTQLQIEISA-N -1 1 282.365 1.887 20 0 CDADMM CC(C)c1nc(S(=O)(=O)[N-]CC(C)(F)F)c[nH]1 ZINC000645093219 362112236 /nfs/dbraw/zinc/11/22/36/362112236.db2.gz PBGDQAHGZCPZNQ-UHFFFAOYSA-N -1 1 267.301 1.467 20 0 CDADMM O=C(CCCc1nn[n-]n1)N1CCCC[C@H]1c1ccco1 ZINC000635588256 362127774 /nfs/dbraw/zinc/12/77/74/362127774.db2.gz PCTSYHLKRNPLED-NSHDSACASA-N -1 1 289.339 1.869 20 0 CDADMM C[C@@H]1[C@@H](C)CCCN1C(=O)CCCc1nn[n-]n1 ZINC000635602245 362149613 /nfs/dbraw/zinc/14/96/13/362149613.db2.gz GFHRIHBBJOUVCF-VHSXEESVSA-N -1 1 251.334 1.169 20 0 CDADMM O=C(CCCc1nn[n-]n1)N1C2CCCC1CCC2 ZINC000635613639 362168106 /nfs/dbraw/zinc/16/81/06/362168106.db2.gz QLASUDTXVHSDCT-UHFFFAOYSA-N -1 1 263.345 1.456 20 0 CDADMM Cc1ccc([C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)s1 ZINC000091578052 342405416 /nfs/dbraw/zinc/40/54/16/342405416.db2.gz XQSZTNQYAVJLKO-SECBINFHSA-N -1 1 264.354 1.805 20 0 CDADMM CC(C)(NC(=O)CCOc1ccccc1)c1nn[n-]n1 ZINC000095137951 342430377 /nfs/dbraw/zinc/43/03/77/342430377.db2.gz FAKBJSLGSMTXAC-UHFFFAOYSA-N -1 1 275.312 1.020 20 0 CDADMM C[C@H](CN(C)C(=O)c1ccccc1F)c1nn[n-]n1 ZINC000095154091 342430389 /nfs/dbraw/zinc/43/03/89/342430389.db2.gz MAEAQMRHRRSWSL-MRVPVSSYSA-N -1 1 263.276 1.215 20 0 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COc1ccccc1[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC000737142866 575831512 /nfs/dbraw/zinc/83/15/12/575831512.db2.gz QMKHHLICNSYUDB-VIFPVBQESA-N -1 1 297.322 1.838 20 0 CDADMM COc1ccccc1[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC000737142866 575831513 /nfs/dbraw/zinc/83/15/13/575831513.db2.gz QMKHHLICNSYUDB-VIFPVBQESA-N -1 1 297.322 1.838 20 0 CDADMM Cc1ccc2c(c1)N(c1nccnc1-c1nnn[n-]1)CC2 ZINC000737378491 575950240 /nfs/dbraw/zinc/95/02/40/575950240.db2.gz SSMJOMPRUPNKBO-UHFFFAOYSA-N -1 1 279.307 1.659 20 0 CDADMM Cc1ccc2c(c1)N(c1nccnc1-c1nn[n-]n1)CC2 ZINC000737378491 575950243 /nfs/dbraw/zinc/95/02/43/575950243.db2.gz SSMJOMPRUPNKBO-UHFFFAOYSA-N -1 1 279.307 1.659 20 0 CDADMM Cc1cccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737399515 575955468 /nfs/dbraw/zinc/95/54/68/575955468.db2.gz KWZGSYYOMYQVTA-UHFFFAOYSA-N -1 1 281.275 1.789 20 0 CDADMM Cc1cccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737399515 575955472 /nfs/dbraw/zinc/95/54/72/575955472.db2.gz KWZGSYYOMYQVTA-UHFFFAOYSA-N -1 1 281.275 1.789 20 0 CDADMM CN(CCc1ccc(Cl)cc1)CC(=O)NCC(=O)[O-] ZINC000737448326 575967909 /nfs/dbraw/zinc/96/79/09/575967909.db2.gz IWAQVFJQKFMUOU-UHFFFAOYSA-N -1 1 284.743 1.015 20 0 CDADMM Cc1n[nH]cc1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000737463414 575971075 /nfs/dbraw/zinc/97/10/75/575971075.db2.gz RFHMZSUSGBMBRA-UHFFFAOYSA-N -1 1 296.747 1.620 20 0 CDADMM Cc1[nH+]cn(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)c1C ZINC000737498472 575976554 /nfs/dbraw/zinc/97/65/54/575976554.db2.gz GEECGUQNBHFQLI-UHFFFAOYSA-N -1 1 297.322 1.319 20 0 CDADMM CN1CCC[C@@H]1C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000737523735 575985689 /nfs/dbraw/zinc/98/56/89/575985689.db2.gz UYNLLJYWPVNKPI-CHWSQXEVSA-N -1 1 276.336 1.065 20 0 CDADMM C[C@H](CC(=O)N1CCC[C@@H](c2nn[n-]n2)C1)C1CC1 ZINC000765108317 575987233 /nfs/dbraw/zinc/98/72/33/575987233.db2.gz BPCOCRHBGLDXJX-MWLCHTKSSA-N -1 1 263.345 1.342 20 0 CDADMM CCc1cc(CNC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)n[nH]1 ZINC000737896568 576021064 /nfs/dbraw/zinc/02/10/64/576021064.db2.gz IFRSSHIGEUWYGY-UHFFFAOYSA-N -1 1 290.323 1.545 20 0 CDADMM O=C(NC1(c2nn[n-]n2)CCC1)c1cccc2ncccc21 ZINC000738009808 576030366 /nfs/dbraw/zinc/03/03/66/576030366.db2.gz PCRWJQDVMJBROW-UHFFFAOYSA-N -1 1 294.318 1.557 20 0 CDADMM Cn1[n-]c(COC(=O)CC2(C)CCCCC2)nc1=O ZINC000765500035 576031161 /nfs/dbraw/zinc/03/11/61/576031161.db2.gz AKIFXBWKNWHPSD-UHFFFAOYSA-N -1 1 267.329 1.512 20 0 CDADMM O=C(Nc1ccccn1)N1CCC(c2nn[n-]n2)CC1 ZINC000738195902 576047973 /nfs/dbraw/zinc/04/79/73/576047973.db2.gz JNYGNMBXCXWKPF-UHFFFAOYSA-N -1 1 273.300 1.006 20 0 CDADMM Cc1nc(CN2CCN(CCCC(=O)[O-])CC2)oc1C ZINC000738352504 576062045 /nfs/dbraw/zinc/06/20/45/576062045.db2.gz KAWKUFYHTUXNNK-UHFFFAOYSA-N -1 1 281.356 1.274 20 0 CDADMM Cc1n[nH]c(C)c1NC(=O)CN(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000738822797 576119350 /nfs/dbraw/zinc/11/93/50/576119350.db2.gz BJPVYWSDMLYXTE-MRVPVSSYSA-N -1 1 294.355 1.150 20 0 CDADMM O=C(CNC1(C(=O)[O-])CCCCC1)NC(C1CC1)C1CC1 ZINC000739310089 576205225 /nfs/dbraw/zinc/20/52/25/576205225.db2.gz WXXXZGQACVBUFB-UHFFFAOYSA-N -1 1 294.395 1.668 20 0 CDADMM CC[C@](C)(CC(=O)OC)NC(=O)c1ccc([O-])c(F)c1 ZINC000768225523 576265807 /nfs/dbraw/zinc/26/58/07/576265807.db2.gz GROBSCYZNBYSLB-CQSZACIVSA-N -1 1 283.299 1.993 20 0 CDADMM O=C(NCCc1ccon1)c1ccc([O-])c(F)c1 ZINC000768320736 576271636 /nfs/dbraw/zinc/27/16/36/576271636.db2.gz OFBNTVFOOSPVEC-UHFFFAOYSA-N -1 1 250.229 1.492 20 0 CDADMM O=C([O-])c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000768786690 576308125 /nfs/dbraw/zinc/30/81/25/576308125.db2.gz YLCSXWOMZPKTRY-GFCCVEGCSA-N -1 1 293.319 1.703 20 0 CDADMM O=C([O-])c1cn(CN2CC[C@H](Cc3ccccc3)C2)nn1 ZINC000740252486 576451304 /nfs/dbraw/zinc/45/13/04/576451304.db2.gz FBQYMXBXKLGTBZ-CYBMUJFWSA-N -1 1 286.335 1.498 20 0 CDADMM Cc1c([N-]S(=O)(=O)c2ccn(C)n2)[nH]nc1C1CC1 ZINC000760321529 576475948 /nfs/dbraw/zinc/47/59/48/576475948.db2.gz GSPZHFZIPIGTPA-UHFFFAOYSA-N -1 1 281.341 1.130 20 0 CDADMM CCC(CC)[C@@H](C)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000761690997 576588784 /nfs/dbraw/zinc/58/87/84/576588784.db2.gz GUYAGXKPUWGVES-MWLCHTKSSA-N -1 1 281.360 1.172 20 0 CDADMM CC[C@H](OC)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000744636027 576689938 /nfs/dbraw/zinc/68/99/38/576689938.db2.gz QKQINFUNEOHDIH-LBPRGKRZSA-N -1 1 292.287 1.967 20 0 CDADMM O=C(C[C@H]1CCOC1)OCCC[N-]C(=O)C(F)(F)F ZINC000753644236 576852268 /nfs/dbraw/zinc/85/22/68/576852268.db2.gz XUXAKOFPMRVLSD-MRVPVSSYSA-N -1 1 283.246 1.025 20 0 CDADMM O=C(N=c1cc[nH]cc1O)c1nnc2ccccc2c1[O-] ZINC000748311849 576904681 /nfs/dbraw/zinc/90/46/81/576904681.db2.gz DDRGMBUBHLXRNU-UHFFFAOYSA-N -1 1 282.259 1.110 20 0 CDADMM O=C(c1c([O-])cccc1Cl)N1CCc2n[nH]nc2C1 ZINC000748363842 576908857 /nfs/dbraw/zinc/90/88/57/576908857.db2.gz RCDZYUHZNLVMOL-UHFFFAOYSA-N -1 1 278.699 1.362 20 0 CDADMM O=C(NC[C@@H]1COc2ccccc2C1)c1ncccc1[O-] ZINC000750668772 576999304 /nfs/dbraw/zinc/99/93/04/576999304.db2.gz XXPCYVBSDSVVHV-LLVKDONJSA-N -1 1 284.315 1.768 20 0 CDADMM CCCn1cc(NC(=O)c2ncccc2[O-])ccc1=O ZINC000750872510 577011837 /nfs/dbraw/zinc/01/18/37/577011837.db2.gz NORUGDPIISOQGF-UHFFFAOYSA-N -1 1 273.292 1.611 20 0 CDADMM O=C([O-])C[C@H]1CCC[N@@H+](CC2(CC(=O)[O-])CC2)C1 ZINC001601951160 1175083077 /nfs/dbraw/zinc/08/30/77/1175083077.db2.gz DAOZRGVAUFTZSW-SNVBAGLBSA-N -1 1 255.314 1.428 20 0 CDADMM O=C([O-])CCCONC(=O)Cc1csc(C2CC2)n1 ZINC001601994720 1175103900 /nfs/dbraw/zinc/10/39/00/1175103900.db2.gz FRAKYFVMRRTNJR-UHFFFAOYSA-N -1 1 284.337 1.476 20 0 CDADMM O=C([O-])CC[N@@H+](CCC1CCCCC1)CC(=O)[O-] ZINC001602006352 1175108943 /nfs/dbraw/zinc/10/89/43/1175108943.db2.gz UEUWCOSGRBMXKF-UHFFFAOYSA-N -1 1 257.330 1.818 20 0 CDADMM C[C@@]1(c2ccccc2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC000820636211 599039005 /nfs/dbraw/zinc/03/90/05/599039005.db2.gz QIFCWYPTIPUJEL-NHYWBVRUSA-N -1 1 293.334 1.799 20 0 CDADMM C[C@@]1(c2ccccc2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC000820636211 599039007 /nfs/dbraw/zinc/03/90/07/599039007.db2.gz QIFCWYPTIPUJEL-NHYWBVRUSA-N -1 1 293.334 1.799 20 0 CDADMM CS[C@@H]1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC000095192791 599070948 /nfs/dbraw/zinc/07/09/48/599070948.db2.gz DVGDHVOKTTVGPM-JGVFFNPUSA-N -1 1 277.357 1.353 20 0 CDADMM CS[C@@H]1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC000095192791 599070951 /nfs/dbraw/zinc/07/09/51/599070951.db2.gz DVGDHVOKTTVGPM-JGVFFNPUSA-N -1 1 277.357 1.353 20 0 CDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N[C@H]1CCSC1 ZINC000823796791 599078995 /nfs/dbraw/zinc/07/89/95/599078995.db2.gz GWHNJICFACRYKY-QMMMGPOBSA-N -1 1 299.363 1.727 20 0 CDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N[C@H]1CCSC1 ZINC000823796791 599078997 /nfs/dbraw/zinc/07/89/97/599078997.db2.gz GWHNJICFACRYKY-QMMMGPOBSA-N -1 1 299.363 1.727 20 0 CDADMM O[C@H](CCNc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC000823675465 599087181 /nfs/dbraw/zinc/08/71/81/599087181.db2.gz WYKDRXHVDFJOJN-LLVKDONJSA-N -1 1 297.322 1.192 20 0 CDADMM O[C@H](CCNc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC000823675465 599087183 /nfs/dbraw/zinc/08/71/83/599087183.db2.gz WYKDRXHVDFJOJN-LLVKDONJSA-N -1 1 297.322 1.192 20 0 CDADMM CC(C)CCSc1nccnc1-c1nn[n-]n1 ZINC000820081629 599089325 /nfs/dbraw/zinc/08/93/25/599089325.db2.gz OLLYLWCQMWXVAZ-UHFFFAOYSA-N -1 1 250.331 1.795 20 0 CDADMM C[C@@H]1C[C@@H](C)CN(C(=O)CN[C@H](C(=O)[O-])C(C)(C)C)C1 ZINC000828161434 602224049 /nfs/dbraw/zinc/22/40/49/602224049.db2.gz NGYBYCFGXSAUNG-NQBHXWOUSA-N -1 1 284.400 1.580 20 0 CDADMM C[C@@H](NC(=O)CN(C)CCC(=O)[O-])c1cccs1 ZINC000037933192 596998653 /nfs/dbraw/zinc/99/86/53/596998653.db2.gz AFOBZISOXSIELY-SECBINFHSA-N -1 1 270.354 1.332 20 0 CDADMM CN(CCC(=O)[O-])Cc1cn2cc(Cl)ccc2n1 ZINC000037932969 597002254 /nfs/dbraw/zinc/00/22/54/597002254.db2.gz JXDILWKRUOZPKF-UHFFFAOYSA-N -1 1 267.716 1.894 20 0 CDADMM CC[C@H]1CC(=O)N(CN2CCC[C@H](CC(=O)[O-])C2)C1 ZINC000818149208 597043882 /nfs/dbraw/zinc/04/38/82/597043882.db2.gz QRQUPPLYFHTOOC-NWDGAFQWSA-N -1 1 268.357 1.389 20 0 CDADMM CCC[C@H]1CC(=O)N(CN2CCC[C@@H](CC(=O)[O-])C2)C1 ZINC000818161974 597047265 /nfs/dbraw/zinc/04/72/65/597047265.db2.gz MAAUETYHQCRQGO-STQMWFEESA-N -1 1 282.384 1.779 20 0 CDADMM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(O)c(Cl)c1 ZINC000054050997 597468844 /nfs/dbraw/zinc/46/88/44/597468844.db2.gz YYATYVWHZUPFOR-ZCFIWIBFSA-N -1 1 257.673 1.591 20 0 CDADMM O=C([O-])[C@H]1CCN(Cc2nc(-c3ccccc3)no2)C1 ZINC000062134162 597527701 /nfs/dbraw/zinc/52/77/01/597527701.db2.gz DNKIZYUWOMEJEH-NSHDSACASA-N -1 1 273.292 1.643 20 0 CDADMM CN(CCCCC(=O)[O-])Cc1nc(-c2cccnc2)no1 ZINC000820592239 597796920 /nfs/dbraw/zinc/79/69/20/597796920.db2.gz PVWQSEDZCAOBEG-UHFFFAOYSA-N -1 1 290.323 1.818 20 0 CDADMM O=C([O-])[C@H]1CN(Cc2ccccc2C2CC2)CCO1 ZINC000094529194 598124644 /nfs/dbraw/zinc/12/46/44/598124644.db2.gz GSNMHTCYIYNTMB-CQSZACIVSA-N -1 1 261.321 1.849 20 0 CDADMM CN(c1ccc(-c2nn[n-]n2)nn1)C1CCCCCC1 ZINC000826004474 608395648 /nfs/dbraw/zinc/39/56/48/608395648.db2.gz ZGGHXHBAZJVPSE-UHFFFAOYSA-N -1 1 273.344 1.816 20 0 CDADMM CCCNC(=O)CNCc1cccc(C(=O)[O-])c1 ZINC000233034709 598202454 /nfs/dbraw/zinc/20/24/54/598202454.db2.gz LPCTWAZYRTYKQV-UHFFFAOYSA-N -1 1 250.298 1.001 20 0 CDADMM C[C@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1nnc[nH]1 ZINC000230435730 598212269 /nfs/dbraw/zinc/21/22/69/598212269.db2.gz BATKOCYLWCJYGG-QMMMGPOBSA-N -1 1 289.295 1.315 20 0 CDADMM C[C@@H](NC(=O)Nc1ccccc1C(=O)[O-])c1nnc[nH]1 ZINC000230434109 598212537 /nfs/dbraw/zinc/21/25/37/598212537.db2.gz VWKKVFVWABVVAU-SSDOTTSWSA-N -1 1 275.268 1.386 20 0 CDADMM C[C@@H](CC(=O)[O-])N[C@@H](C)c1nnc2n1CCCCC2 ZINC000820072584 598215013 /nfs/dbraw/zinc/21/50/13/598215013.db2.gz UFVIVFFHRAYYGV-UWVGGRQHSA-N -1 1 266.345 1.518 20 0 CDADMM COCc1cccc(Nc2nccnc2-c2nnn[n-]2)c1 ZINC000095298385 598342047 /nfs/dbraw/zinc/34/20/47/598342047.db2.gz XHWDJTMULSPYCH-UHFFFAOYSA-N -1 1 283.295 1.547 20 0 CDADMM COCc1cccc(Nc2nccnc2-c2nn[n-]n2)c1 ZINC000095298385 598342049 /nfs/dbraw/zinc/34/20/49/598342049.db2.gz XHWDJTMULSPYCH-UHFFFAOYSA-N -1 1 283.295 1.547 20 0 CDADMM Cc1ccc(Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC000095323503 598384153 /nfs/dbraw/zinc/38/41/53/598384153.db2.gz AFENJDQLMKLJCU-UHFFFAOYSA-N -1 1 253.269 1.709 20 0 CDADMM Cc1ccc(Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC000095323503 598384155 /nfs/dbraw/zinc/38/41/55/598384155.db2.gz AFENJDQLMKLJCU-UHFFFAOYSA-N -1 1 253.269 1.709 20 0 CDADMM CC[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000095264050 599405995 /nfs/dbraw/zinc/40/59/95/599405995.db2.gz OHZYSNUJMJEEKW-SNVBAGLBSA-N -1 1 258.329 1.888 20 0 CDADMM CC[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000095264050 599405997 /nfs/dbraw/zinc/40/59/97/599405997.db2.gz OHZYSNUJMJEEKW-SNVBAGLBSA-N -1 1 258.329 1.888 20 0 CDADMM O=C([O-])c1cnc(CNCCOC[C@@H]2CCCO2)s1 ZINC001602523392 1175270854 /nfs/dbraw/zinc/27/08/54/1175270854.db2.gz MYVINLHNOGHBST-VIFPVBQESA-N -1 1 286.353 1.127 20 0 CDADMM Cc1ccc(CNC(=O)CNC(C)(C)C(=O)[O-])cc1 ZINC000087626020 599924896 /nfs/dbraw/zinc/92/48/96/599924896.db2.gz FWPHIACBIVJSRL-UHFFFAOYSA-N -1 1 264.325 1.064 20 0 CDADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccnn1C ZINC000383723621 600054866 /nfs/dbraw/zinc/05/48/66/600054866.db2.gz LOWJTYHCUYKYDE-UHFFFAOYSA-N -1 1 295.320 1.228 20 0 CDADMM CC(C)N(CCC(=O)[O-])Cc1nc(-c2ccccn2)no1 ZINC000037596287 600221500 /nfs/dbraw/zinc/22/15/00/600221500.db2.gz STPABAJYEFIFQM-UHFFFAOYSA-N -1 1 290.323 1.817 20 0 CDADMM O=C([O-])c1cnoc1CN1CCC([C@@H]2CCOC2)CC1 ZINC001602547739 1175287660 /nfs/dbraw/zinc/28/76/60/1175287660.db2.gz XZOBIEFSUVABMK-LLVKDONJSA-N -1 1 280.324 1.621 20 0 CDADMM O=C([O-])[C@H](c1ccccc1)N1CCN(C2CCC2)CC1 ZINC000393177920 600409512 /nfs/dbraw/zinc/40/95/12/600409512.db2.gz IZZCYFJKQWVQDT-HNNXBMFYSA-N -1 1 274.364 1.982 20 0 CDADMM CCC[C@](C)(NCC(=O)N1CCC[C@@H](C)C1)C(=O)[O-] ZINC000036808388 600461938 /nfs/dbraw/zinc/46/19/38/600461938.db2.gz LQENLJDYWRXYKW-RISCZKNCSA-N -1 1 270.373 1.478 20 0 CDADMM CCOc1ccccc1NC(=O)CN[C@@](C)(CC)C(=O)[O-] ZINC000094229103 600563294 /nfs/dbraw/zinc/56/32/94/600563294.db2.gz AJHBTEDHWNRXJZ-HNNXBMFYSA-N -1 1 294.351 1.867 20 0 CDADMM CC[C@H](C)[C@H](NC(=O)CN1CCC(C)(C)C1)C(=O)[O-] ZINC000828718107 600849685 /nfs/dbraw/zinc/84/96/85/600849685.db2.gz LKMKNPZDIVJGDG-JQWIXIFHSA-N 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CC[C@@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820951028 606957802 /nfs/dbraw/zinc/95/78/02/606957802.db2.gz VFGPHCPZTLGECD-AWEZNQCLSA-N -1 1 286.339 1.524 20 0 CDADMM CC[C@@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820951028 606957804 /nfs/dbraw/zinc/95/78/04/606957804.db2.gz VFGPHCPZTLGECD-AWEZNQCLSA-N -1 1 286.339 1.524 20 0 CDADMM O=C(NOCC(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000823284092 607100811 /nfs/dbraw/zinc/10/08/11/607100811.db2.gz CKICMFQXSKLDHI-UHFFFAOYSA-N -1 1 293.230 1.152 20 0 CDADMM O=C(NOCC(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000823284092 607100813 /nfs/dbraw/zinc/10/08/13/607100813.db2.gz CKICMFQXSKLDHI-UHFFFAOYSA-N -1 1 293.230 1.152 20 0 CDADMM c1cc(N[C@@H]2CCOC3(CCC3)C2)nc(-c2nnn[n-]2)c1 ZINC000823757592 607133777 /nfs/dbraw/zinc/13/37/77/607133777.db2.gz RXTSBYOOZDHZEJ-SNVBAGLBSA-N -1 1 286.339 1.775 20 0 CDADMM c1cc(N[C@@H]2CCOC3(CCC3)C2)nc(-c2nn[n-]n2)c1 ZINC000823757592 607133780 /nfs/dbraw/zinc/13/37/80/607133780.db2.gz RXTSBYOOZDHZEJ-SNVBAGLBSA-N -1 1 286.339 1.775 20 0 CDADMM C[C@H](c1ccccn1)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000824771630 607896886 /nfs/dbraw/zinc/89/68/86/607896886.db2.gz RTTWVBBJNPHKBC-SNVBAGLBSA-N -1 1 281.323 1.854 20 0 CDADMM C[C@H](c1ccccn1)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000824771630 607896887 /nfs/dbraw/zinc/89/68/87/607896887.db2.gz RTTWVBBJNPHKBC-SNVBAGLBSA-N -1 1 281.323 1.854 20 0 CDADMM C[C@H]1CC[C@@H](COC(=O)c2sccc2-c2nn[n-]n2)O1 ZINC000824908345 608076219 /nfs/dbraw/zinc/07/62/19/608076219.db2.gz OBICAASKXZAGBJ-YUMQZZPRSA-N -1 1 294.336 1.653 20 0 CDADMM O=C(N[C@H]1CC12CCCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC000826429190 608165588 /nfs/dbraw/zinc/16/55/88/608165588.db2.gz WMKAKODGAWZDEU-LBPRGKRZSA-N -1 1 298.350 1.714 20 0 CDADMM O=C(N[C@H]1CC12CCCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC000826429190 608165589 /nfs/dbraw/zinc/16/55/89/608165589.db2.gz WMKAKODGAWZDEU-LBPRGKRZSA-N -1 1 298.350 1.714 20 0 CDADMM CC(C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000824288468 608173664 /nfs/dbraw/zinc/17/36/64/608173664.db2.gz HNLJRVIIPROVOG-UHFFFAOYSA-N -1 1 258.738 1.821 20 0 CDADMM CC(C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000824288468 608173666 /nfs/dbraw/zinc/17/36/66/608173666.db2.gz HNLJRVIIPROVOG-UHFFFAOYSA-N -1 1 258.738 1.821 20 0 CDADMM CC(C)[C@@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000824206795 608185034 /nfs/dbraw/zinc/18/50/34/608185034.db2.gz IZOARCPEJZKJNO-YFKPBYRVSA-N -1 1 288.764 1.405 20 0 CDADMM CC(C)[C@@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000824206795 608185036 /nfs/dbraw/zinc/18/50/36/608185036.db2.gz IZOARCPEJZKJNO-YFKPBYRVSA-N -1 1 288.764 1.405 20 0 CDADMM CC(C)[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC000824216202 608242676 /nfs/dbraw/zinc/24/26/76/608242676.db2.gz OVZOWTCSUKEKDX-KOLCDFICSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC000824216202 608242677 /nfs/dbraw/zinc/24/26/77/608242677.db2.gz OVZOWTCSUKEKDX-KOLCDFICSA-N -1 1 289.343 1.272 20 0 CDADMM CN(c1ccc(-c2nnn[n-]2)nn1)C1CCCCCC1 ZINC000826004474 608395646 /nfs/dbraw/zinc/39/56/46/608395646.db2.gz ZGGHXHBAZJVPSE-UHFFFAOYSA-N -1 1 273.344 1.816 20 0 CDADMM Oc1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826511297 608402384 /nfs/dbraw/zinc/40/23/84/608402384.db2.gz JSLDPYSIRNYAJC-UHFFFAOYSA-N -1 1 283.295 1.017 20 0 CDADMM Oc1ccc(CCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826511297 608402385 /nfs/dbraw/zinc/40/23/85/608402385.db2.gz JSLDPYSIRNYAJC-UHFFFAOYSA-N -1 1 283.295 1.017 20 0 CDADMM COc1ccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826189155 608407294 /nfs/dbraw/zinc/40/72/94/608407294.db2.gz OSAMBGKVKNMUFU-SECBINFHSA-N -1 1 297.322 1.838 20 0 CDADMM COc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826189155 608407296 /nfs/dbraw/zinc/40/72/96/608407296.db2.gz OSAMBGKVKNMUFU-SECBINFHSA-N -1 1 297.322 1.838 20 0 CDADMM O[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CCCCC1 ZINC000826503003 608412776 /nfs/dbraw/zinc/41/27/76/608412776.db2.gz OAXFRUQHAFRVJB-NSHDSACASA-N -1 1 289.343 1.010 20 0 CDADMM O[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CCCCC1 ZINC000826503003 608412777 /nfs/dbraw/zinc/41/27/77/608412777.db2.gz OAXFRUQHAFRVJB-NSHDSACASA-N -1 1 289.343 1.010 20 0 CDADMM Cc1noc(C)c1[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826339274 608418379 /nfs/dbraw/zinc/41/83/79/608418379.db2.gz YFGCZRLPOFVUMB-ZCFIWIBFSA-N -1 1 286.299 1.435 20 0 CDADMM Cc1noc(C)c1[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826339274 608418381 /nfs/dbraw/zinc/41/83/81/608418381.db2.gz YFGCZRLPOFVUMB-ZCFIWIBFSA-N -1 1 286.299 1.435 20 0 CDADMM CCSCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825673763 608426388 /nfs/dbraw/zinc/42/63/88/608426388.db2.gz AVUYSSXLYDTPCV-QMMMGPOBSA-N -1 1 279.373 1.600 20 0 CDADMM CCSCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825673763 608426389 /nfs/dbraw/zinc/42/63/89/608426389.db2.gz AVUYSSXLYDTPCV-QMMMGPOBSA-N -1 1 279.373 1.600 20 0 CDADMM CC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCO1 ZINC000825148871 608437129 /nfs/dbraw/zinc/43/71/29/608437129.db2.gz UTPLPGAVCAEAFS-SCZZXKLOSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCO1 ZINC000825148871 608437130 /nfs/dbraw/zinc/43/71/30/608437130.db2.gz UTPLPGAVCAEAFS-SCZZXKLOSA-N -1 1 275.316 1.026 20 0 CDADMM C1=C(c2ccccc2)CN(c2nccnc2-c2nnn[n-]2)C1 ZINC000823868001 608583887 /nfs/dbraw/zinc/58/38/87/608583887.db2.gz MNEJYRIBTBNOIL-UHFFFAOYSA-N -1 1 291.318 1.560 20 0 CDADMM C1=C(c2ccccc2)CN(c2nccnc2-c2nn[n-]n2)C1 ZINC000823868001 608583889 /nfs/dbraw/zinc/58/38/89/608583889.db2.gz MNEJYRIBTBNOIL-UHFFFAOYSA-N -1 1 291.318 1.560 20 0 CDADMM Clc1ccc(CNc2cccc(-c3nnn[n-]3)n2)nc1 ZINC000826351967 608585873 /nfs/dbraw/zinc/58/58/73/608585873.db2.gz IIXVYHQVKCWQTI-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM Clc1ccc(CNc2cccc(-c3nn[n-]n3)n2)nc1 ZINC000826351967 608585874 /nfs/dbraw/zinc/58/58/74/608585874.db2.gz IIXVYHQVKCWQTI-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM CC(C)(C)Oc1cccc(Cn2ccnc2-c2nnn[n-]2)n1 ZINC000824124755 608889748 /nfs/dbraw/zinc/88/97/48/608889748.db2.gz ZBVDJNPIPKFYKT-UHFFFAOYSA-N -1 1 299.338 1.684 20 0 CDADMM CC(C)(C)Oc1cccc(Cn2ccnc2-c2nn[n-]n2)n1 ZINC000824124755 608889749 /nfs/dbraw/zinc/88/97/49/608889749.db2.gz ZBVDJNPIPKFYKT-UHFFFAOYSA-N -1 1 299.338 1.684 20 0 CDADMM c1cc(-c2nn[n-]n2)sc1CNc1nncs1 ZINC000826526651 609265382 /nfs/dbraw/zinc/26/53/82/609265382.db2.gz HCCLRQCNFZDMHW-UHFFFAOYSA-N -1 1 265.327 1.392 20 0 CDADMM c1cc(S[C@@H]2CCCOC2)nc(-c2nnn[n-]2)c1 ZINC000826517994 609580261 /nfs/dbraw/zinc/58/02/61/609580261.db2.gz XSHXTCGBLVYDIQ-MRVPVSSYSA-N -1 1 263.326 1.533 20 0 CDADMM c1cc(S[C@@H]2CCCOC2)nc(-c2nn[n-]n2)c1 ZINC000826517994 609580264 /nfs/dbraw/zinc/58/02/64/609580264.db2.gz XSHXTCGBLVYDIQ-MRVPVSSYSA-N -1 1 263.326 1.533 20 0 CDADMM O=C(N[C@H]1COC[C@H]1C1CC1)C(=O)c1ccc([O-])cc1 ZINC000891048036 617356436 /nfs/dbraw/zinc/35/64/36/617356436.db2.gz UQHMCJDXGGPOJH-STQMWFEESA-N -1 1 275.304 1.116 20 0 CDADMM CC(C)(C)n1nnc(C(=O)[N-]c2ccnc(Cl)c2F)n1 ZINC000891517303 617455527 /nfs/dbraw/zinc/45/55/27/617455527.db2.gz ZKFWYNMJVWIQRA-UHFFFAOYSA-N -1 1 298.709 1.868 20 0 CDADMM COCc1nc(NCc2ccn(C(C)C)n2)cc(=O)[n-]1 ZINC000892618308 617537589 /nfs/dbraw/zinc/53/75/89/617537589.db2.gz IKKSIWPEOCYUHU-UHFFFAOYSA-N -1 1 277.328 1.718 20 0 CDADMM COCc1nc(N[C@@H]2CCCc3c2cnn3C)cc(=O)[n-]1 ZINC000891755608 617570752 /nfs/dbraw/zinc/57/07/52/617570752.db2.gz NNSOYVSXEQALCU-SNVBAGLBSA-N -1 1 289.339 1.552 20 0 CDADMM COCc1nc(N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc(=O)[n-]1 ZINC000892675410 617582277 /nfs/dbraw/zinc/58/22/77/617582277.db2.gz BCUSARVFROMNMB-FZQKWOKYSA-N -1 1 293.367 1.944 20 0 CDADMM CC(C)N1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000036170705 617791493 /nfs/dbraw/zinc/79/14/93/617791493.db2.gz LPFUSWJGRGIDJY-OLZOCXBDSA-N -1 1 282.384 1.430 20 0 CDADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC2CC(C)C2)o1 ZINC000851463500 617602723 /nfs/dbraw/zinc/60/27/23/617602723.db2.gz XLRNGLPQWSULQY-UHFFFAOYSA-N -1 1 287.337 1.391 20 0 CDADMM CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000866880283 617607780 /nfs/dbraw/zinc/60/77/80/617607780.db2.gz NEXLOYPHRZFCNX-MRVPVSSYSA-N -1 1 294.323 1.045 20 0 CDADMM COCc1nc(N2CCC[C@@](C)(O)CC2)cc(=O)[n-]1 ZINC000893598687 617641413 /nfs/dbraw/zinc/64/14/13/617641413.db2.gz DJRVWFQRCQVCFQ-CYBMUJFWSA-N -1 1 267.329 1.070 20 0 CDADMM COCc1nc(N(C)[C@H](C)CCSC)cc(=O)[n-]1 ZINC000892762232 617710580 /nfs/dbraw/zinc/71/05/80/617710580.db2.gz BVJZDARIZOEZIX-SECBINFHSA-N -1 1 271.386 1.906 20 0 CDADMM COCCC(C)(C)C(=O)Nc1cc(C(=O)OC(C)C)[nH]n1 ZINC000888119000 620751129 /nfs/dbraw/zinc/75/11/29/620751129.db2.gz PTLSVAJQAPGSOC-UHFFFAOYSA-N -1 1 297.355 1.976 20 0 CDADMM COC(=O)[C@H]1CCCC[C@]1(C)[N-]C(=O)C(F)(F)F ZINC000849384445 617826153 /nfs/dbraw/zinc/82/61/53/617826153.db2.gz RTOMEFTZHIFAHN-XCBNKYQSSA-N -1 1 267.247 1.787 20 0 CDADMM CCC(CC)(CC(=O)[O-])NC(=O)CN1CCCC1 ZINC000909376980 618014553 /nfs/dbraw/zinc/01/45/53/618014553.db2.gz XKOKRMCOIVFYLP-UHFFFAOYSA-N -1 1 256.346 1.232 20 0 CDADMM O=S(=O)([N-]C1CC=CC1)c1ccc(F)nc1F ZINC000866956421 620773487 /nfs/dbraw/zinc/77/34/87/620773487.db2.gz BKLMJRQWSWASIY-UHFFFAOYSA-N -1 1 260.265 1.357 20 0 CDADMM COCc1nc(NCc2nnc(C(C)C)n2C)cc(=O)[n-]1 ZINC000893101986 618170600 /nfs/dbraw/zinc/17/06/00/618170600.db2.gz HYVOVVCKPLNHTQ-UHFFFAOYSA-N -1 1 292.343 1.193 20 0 CDADMM CC(C)CCC[C@@H](NC(=O)[C@@H]1CCCCN1C)C(=O)[O-] ZINC000910577010 618283188 /nfs/dbraw/zinc/28/31/88/618283188.db2.gz POLSFFPYRWDDPZ-OLZOCXBDSA-N -1 1 284.400 1.866 20 0 CDADMM CC(C)Cn1nccc1CN1CCSC[C@@H](C(=O)[O-])C1 ZINC000901887312 618331356 /nfs/dbraw/zinc/33/13/56/618331356.db2.gz JSUCJJYCVDLBRG-LBPRGKRZSA-N -1 1 297.424 1.789 20 0 CDADMM COCc1nc(N[C@@H]2CCC[C@H]2OC)cc(=O)[n-]1 ZINC000894072474 618357136 /nfs/dbraw/zinc/35/71/36/618357136.db2.gz WLIWSNKVVHFUKI-RKDXNWHRSA-N -1 1 253.302 1.308 20 0 CDADMM Cn1nc([N-]S(=O)(=O)N2CCCC2)c2ccccc21 ZINC000901986207 618420918 /nfs/dbraw/zinc/42/09/18/618420918.db2.gz HMSQXBDFDCUJDE-UHFFFAOYSA-N -1 1 280.353 1.326 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cccc2[nH]cnc21 ZINC000901993722 618436365 /nfs/dbraw/zinc/43/63/65/618436365.db2.gz WOGSHAWVPXRHIJ-LDYMZIIASA-N -1 1 273.292 1.641 20 0 CDADMM CC[C@H](C)[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)C(N)=O ZINC000925089273 619100598 /nfs/dbraw/zinc/10/05/98/619100598.db2.gz HJPAXHHTQVHXJX-SDBXPKJASA-N -1 1 298.770 1.604 20 0 CDADMM O=C(CN1CCC[C@@H](C(=O)[O-])C1)NCC1(C2CC2)CC1 ZINC000909418064 619138945 /nfs/dbraw/zinc/13/89/45/619138945.db2.gz XDEPMTLOOPAFFW-LLVKDONJSA-N -1 1 280.368 1.089 20 0 CDADMM CCCCCC[C@](C)(NC(=O)Cc1cnc[nH]1)C(=O)[O-] ZINC000909429510 619254760 /nfs/dbraw/zinc/25/47/60/619254760.db2.gz AMVFRULXIIOBEI-AWEZNQCLSA-N -1 1 281.356 1.882 20 0 CDADMM O=C([O-])CN(CCc1ccccc1)C(=O)CN1CCCC1 ZINC000909515671 619567254 /nfs/dbraw/zinc/56/72/54/619567254.db2.gz FOOQGLQCVCHDLH-UHFFFAOYSA-N -1 1 290.363 1.238 20 0 CDADMM C[C@H]1Cc2cc(CNc3nc4[nH][n-]cc-4c(=O)n3)ccc2O1 ZINC000896044502 619954622 /nfs/dbraw/zinc/95/46/22/619954622.db2.gz ASXOMYCFQULHLG-QMMMGPOBSA-N -1 1 297.318 1.368 20 0 CDADMM O=c1nc(NCCO[C@@H]2CCOC2)cc(Cl)[n-]1 ZINC000896472953 620103357 /nfs/dbraw/zinc/10/33/57/620103357.db2.gz GIVGSXCXQZZEHZ-SSDOTTSWSA-N -1 1 259.693 1.053 20 0 CDADMM C[C@@]1(NC(=O)c2[nH]nc3c2CCC3)CCCC[C@H]1C(=O)[O-] ZINC000909538862 620256308 /nfs/dbraw/zinc/25/63/08/620256308.db2.gz UKSFMWMTRLDSFM-ZUZCIYMTSA-N -1 1 291.351 1.662 20 0 CDADMM CCC1(O)CN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000897687957 621078077 /nfs/dbraw/zinc/07/80/77/621078077.db2.gz FQBXXGOUHYYWME-UHFFFAOYSA-N -1 1 287.315 1.848 20 0 CDADMM CN(C)c1ccnc(CNC(=O)[C@]2(C(=O)[O-])CC2(C)C)c1 ZINC000902814422 625468137 /nfs/dbraw/zinc/46/81/37/625468137.db2.gz OPCJVEDXDYSZIC-HNNXBMFYSA-N -1 1 291.351 1.265 20 0 CDADMM Cc1cccc(CCC(=O)NCc2nc([O-])cc(=O)[nH]2)c1 ZINC000898752242 621864232 /nfs/dbraw/zinc/86/42/32/621864232.db2.gz QNRVZTNAMWCGCS-UHFFFAOYSA-N -1 1 287.319 1.445 20 0 CDADMM CCC[C@H](C)CC(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898754945 621865644 /nfs/dbraw/zinc/86/56/44/621865644.db2.gz ZXYWTAZWCKSNJE-QMMMGPOBSA-N -1 1 253.302 1.330 20 0 CDADMM Cn1ccsc1=NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900471075 623108860 /nfs/dbraw/zinc/10/88/60/623108860.db2.gz GCVSLFBRYCHBKX-UHFFFAOYSA-N -1 1 276.321 1.201 20 0 CDADMM Cc1cnccc1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900620099 623304076 /nfs/dbraw/zinc/30/40/76/623304076.db2.gz ZCVSHNFCGGRAOM-UHFFFAOYSA-N -1 1 270.292 1.437 20 0 CDADMM CN(CC1(O)CCCC1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901189288 623934699 /nfs/dbraw/zinc/93/46/99/623934699.db2.gz SZWSLVGTNMWYJK-UHFFFAOYSA-N -1 1 291.351 1.437 20 0 CDADMM CC(C)C[C@@H](NC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C)C(=O)[O-] ZINC000901458883 624277367 /nfs/dbraw/zinc/27/73/67/624277367.db2.gz BUOTUXUJIPADGS-OASPWFOLSA-N -1 1 293.367 1.691 20 0 CDADMM C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000901472888 624288066 /nfs/dbraw/zinc/28/80/66/624288066.db2.gz UDXZGLKVBKIBJC-AXTRIDKLSA-N -1 1 277.324 1.151 20 0 CDADMM CO[C@@]1(C(=O)[O-])CCN(Cc2ccnn2CC2CCC2)C1 ZINC000901543449 624340920 /nfs/dbraw/zinc/34/09/20/624340920.db2.gz NJRYMTLMXUMVIV-HNNXBMFYSA-N -1 1 293.367 1.359 20 0 CDADMM COCCn1c(=O)cc([O-])nc1S[C@H](C)C(=O)C1CC1 ZINC000901651956 624393492 /nfs/dbraw/zinc/39/34/92/624393492.db2.gz FMRUIJDQSADSGU-MRVPVSSYSA-N -1 1 298.364 1.055 20 0 CDADMM CC(C)O[C@@H]1C[C@H](NCc2cn(CC(=O)[O-])nn2)C1(C)C ZINC000902411924 624737018 /nfs/dbraw/zinc/73/70/18/624737018.db2.gz XPRSNSGORJYSMF-NWDGAFQWSA-N -1 1 296.371 1.044 20 0 CDADMM COCCO[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])oc2C)C1 ZINC000902421238 624788870 /nfs/dbraw/zinc/78/88/70/624788870.db2.gz YJBNPGXGPLIGIJ-GFCCVEGCSA-N -1 1 283.324 1.524 20 0 CDADMM COCCO[C@@H]1CCN(Cc2cc(C(=O)[O-])oc2C)C1 ZINC000902421238 624788872 /nfs/dbraw/zinc/78/88/72/624788872.db2.gz YJBNPGXGPLIGIJ-GFCCVEGCSA-N -1 1 283.324 1.524 20 0 CDADMM CN1CCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)CC1(C)C ZINC000902687204 625218561 /nfs/dbraw/zinc/21/85/61/625218561.db2.gz XQZBNARTLCHPBS-LBPRGKRZSA-N -1 1 282.384 1.430 20 0 CDADMM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N(C)CCCF ZINC000903626423 626041929 /nfs/dbraw/zinc/04/19/29/626041929.db2.gz 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WNKUBZGXDCKEJB-UHFFFAOYSA-N -1 1 271.284 1.716 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2cc(OCC3CC3)ccn2)[n-]1 ZINC001170227637 1162317875 /nfs/dbraw/zinc/31/78/75/1162317875.db2.gz QZLQCZFTWZOWFU-UHFFFAOYSA-N -1 1 298.306 1.986 20 0 CDADMM COc1cc(Cl)cc(C(=O)N(C)c2nn[n-]n2)c1 ZINC001130971975 1162759852 /nfs/dbraw/zinc/75/98/52/1162759852.db2.gz LSAFFIDYZIAOKE-UHFFFAOYSA-N -1 1 267.676 1.138 20 0 CDADMM Cc1nc(Cl)sc1S(=O)(=O)[N-][C@@H]1CCCOC1 ZINC000109548569 1158744033 /nfs/dbraw/zinc/74/40/33/1158744033.db2.gz KOJMFEPRFGLURV-SSDOTTSWSA-N -1 1 296.801 1.562 20 0 CDADMM CNc1nnc(SCC(=O)c2ccc([O-])cc2O)s1 ZINC000026681800 1159416863 /nfs/dbraw/zinc/41/68/63/1159416863.db2.gz JGVJWTOSOUQXSY-UHFFFAOYSA-N -1 1 297.361 1.966 20 0 CDADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1csnn1 ZINC000398243890 1159630149 /nfs/dbraw/zinc/63/01/49/1159630149.db2.gz HJMWBHMFFAXWDK-LURJTMIESA-N -1 1 267.285 1.874 20 0 CDADMM C[C@@H](O)C[C@@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000228183052 1160165623 /nfs/dbraw/zinc/16/56/23/1160165623.db2.gz SODMRLNYKBWOQG-HTQZYQBOSA-N -1 1 257.717 1.935 20 0 CDADMM CCCC1(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001604151670 1163108372 /nfs/dbraw/zinc/10/83/72/1163108372.db2.gz PUZGLKPOUBBYAP-UHFFFAOYSA-N -1 1 286.339 1.458 20 0 CDADMM CCCC1(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001604151670 1163108376 /nfs/dbraw/zinc/10/83/76/1163108376.db2.gz PUZGLKPOUBBYAP-UHFFFAOYSA-N -1 1 286.339 1.458 20 0 CDADMM C[C@H](CNC(=O)[C@H](N)c1cccc(Cl)c1)C(=O)[O-] ZINC001604171676 1163115683 /nfs/dbraw/zinc/11/56/83/1163115683.db2.gz FHPFBACEZMGHEM-GMSGAONNSA-N -1 1 270.716 1.177 20 0 CDADMM O=C(N[C@H]1C[C@@H]1c1cccnc1)c1ccc([O-])cn1 ZINC001626032922 1161329012 /nfs/dbraw/zinc/32/90/12/1161329012.db2.gz OBKHJEICZYBTTR-YPMHNXCESA-N -1 1 255.277 1.468 20 0 CDADMM CCc1cc(Oc2cccnc2-c2nnn[n-]2)nc(CC)n1 ZINC001604517817 1163215730 /nfs/dbraw/zinc/21/57/30/1163215730.db2.gz PUENYHHSJQNTLF-UHFFFAOYSA-N -1 1 297.322 1.969 20 0 CDADMM CCc1cc(Oc2cccnc2-c2nn[n-]n2)nc(CC)n1 ZINC001604517817 1163215733 /nfs/dbraw/zinc/21/57/33/1163215733.db2.gz PUENYHHSJQNTLF-UHFFFAOYSA-N -1 1 297.322 1.969 20 0 CDADMM CCc1cncc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001604538780 1163223597 /nfs/dbraw/zinc/22/35/97/1163223597.db2.gz WNVMSRYRIXTZHY-UHFFFAOYSA-N -1 1 295.306 1.471 20 0 CDADMM CCc1cncc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001604538780 1163223602 /nfs/dbraw/zinc/22/36/02/1163223602.db2.gz WNVMSRYRIXTZHY-UHFFFAOYSA-N -1 1 295.306 1.471 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCC(C)(C)C2)n1 ZINC001604544694 1163224488 /nfs/dbraw/zinc/22/44/88/1163224488.db2.gz RCPRUCODYOMUGC-UHFFFAOYSA-N -1 1 287.371 1.846 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCC(C)(C)C2)n1 ZINC001604544694 1163224491 /nfs/dbraw/zinc/22/44/91/1163224491.db2.gz RCPRUCODYOMUGC-UHFFFAOYSA-N -1 1 287.371 1.846 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](C)CC[C@@H]2C)n1 ZINC001604543963 1163226034 /nfs/dbraw/zinc/22/60/34/1163226034.db2.gz OCUSXPHZKURFBD-UWVGGRQHSA-N -1 1 287.371 1.844 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](C)CC[C@@H]2C)n1 ZINC001604543963 1163226038 /nfs/dbraw/zinc/22/60/38/1163226038.db2.gz OCUSXPHZKURFBD-UWVGGRQHSA-N -1 1 287.371 1.844 20 0 CDADMM C[C@H]1CCNC(=O)[C@H]1NCc1ccc(C(=O)[O-])cc1F ZINC001604759639 1163314950 /nfs/dbraw/zinc/31/49/50/1163314950.db2.gz KBVWXUFNOTUTMB-UFBFGSQYSA-N -1 1 280.299 1.138 20 0 CDADMM CO[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)c2)C12CCC2 ZINC001605023328 1163419885 /nfs/dbraw/zinc/41/98/85/1163419885.db2.gz DHDHUNNWZKGTJQ-RYUDHWBXSA-N -1 1 286.339 1.053 20 0 CDADMM CO[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)c2)C12CCC2 ZINC001605023328 1163419888 /nfs/dbraw/zinc/41/98/88/1163419888.db2.gz DHDHUNNWZKGTJQ-RYUDHWBXSA-N -1 1 286.339 1.053 20 0 CDADMM COCC1(CNc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001605067971 1163438398 /nfs/dbraw/zinc/43/83/98/1163438398.db2.gz IVHVTABTSFVHTJ-UHFFFAOYSA-N -1 1 280.357 1.470 20 0 CDADMM CON(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001605143410 1163465572 /nfs/dbraw/zinc/46/55/72/1163465572.db2.gz TYLWAJUMZZNDLM-UHFFFAOYSA-N -1 1 299.290 1.664 20 0 CDADMM CO[C@@H]1CCCC[C@H]1Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001605144674 1163466473 /nfs/dbraw/zinc/46/64/73/1163466473.db2.gz ARLAGNMVCQTHGA-MWLCHTKSSA-N -1 1 289.343 1.335 20 0 CDADMM CO[C@@H]1CCCC[C@H]1Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001605144674 1163466477 /nfs/dbraw/zinc/46/64/77/1163466477.db2.gz ARLAGNMVCQTHGA-MWLCHTKSSA-N -1 1 289.343 1.335 20 0 CDADMM CC[C@@H]1CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)[C@@H]1C ZINC001605171944 1163475746 /nfs/dbraw/zinc/47/57/46/1163475746.db2.gz PMFGZZPCTYEZIJ-GHMZBOCLSA-N -1 1 291.351 1.839 20 0 CDADMM COc1ccccc1[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001605336723 1163528645 /nfs/dbraw/zinc/52/86/45/1163528645.db2.gz YQNNPPQEKJDEHM-VIFPVBQESA-N -1 1 297.322 1.838 20 0 CDADMM COc1ccccc1[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001605336723 1163528656 /nfs/dbraw/zinc/52/86/56/1163528656.db2.gz YQNNPPQEKJDEHM-VIFPVBQESA-N -1 1 297.322 1.838 20 0 CDADMM CCCOc1cc(CN[C@H](CF)C(=O)[O-])ccc1OC ZINC001605339419 1163530997 /nfs/dbraw/zinc/53/09/97/1163530997.db2.gz XMTDCUHOZSNCKO-LLVKDONJSA-N -1 1 285.315 1.996 20 0 CDADMM CCOC(=O)/C=C/CN1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001605531094 1163598836 /nfs/dbraw/zinc/59/88/36/1163598836.db2.gz IPTQWGYHYQARMF-LHRNQBEKSA-N -1 1 289.331 1.617 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@]3(CC3(F)F)C2)c1 ZINC001605559968 1163609876 /nfs/dbraw/zinc/60/98/76/1163609876.db2.gz NOPKDNKEXUSMLQ-GFCCVEGCSA-N -1 1 292.293 1.806 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@]3(CC3(F)F)C2)c1 ZINC001605559968 1163609879 /nfs/dbraw/zinc/60/98/79/1163609879.db2.gz NOPKDNKEXUSMLQ-GFCCVEGCSA-N -1 1 292.293 1.806 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC2(C)CCCC2)n1 ZINC001605568377 1163612983 /nfs/dbraw/zinc/61/29/83/1163612983.db2.gz JIBFWHRNIYQLSU-UHFFFAOYSA-N -1 1 259.317 1.710 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC2(C)CCCC2)n1 ZINC001605568377 1163612985 /nfs/dbraw/zinc/61/29/85/1163612985.db2.gz JIBFWHRNIYQLSU-UHFFFAOYSA-N -1 1 259.317 1.710 20 0 CDADMM CCS(=O)(=O)CCN[C@H](C)c1cc(C(=O)[O-])cs1 ZINC001605727088 1163654183 /nfs/dbraw/zinc/65/41/83/1163654183.db2.gz XYBLZVJEMFZOTA-MRVPVSSYSA-N -1 1 291.394 1.532 20 0 CDADMM Cc1cc(NC[C@@H]2CCOC[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001605732602 1163655864 /nfs/dbraw/zinc/65/58/64/1163655864.db2.gz RADOGOYMSQQBNO-ONGXEEELSA-N -1 1 288.355 1.655 20 0 CDADMM Cc1cc(NC[C@@H]2CCOC[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001605732602 1163655867 /nfs/dbraw/zinc/65/58/67/1163655867.db2.gz RADOGOYMSQQBNO-ONGXEEELSA-N -1 1 288.355 1.655 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCCCOC(C)C ZINC001605805415 1163676912 /nfs/dbraw/zinc/67/69/12/1163676912.db2.gz SJUMEJZTANDECA-UHFFFAOYSA-N -1 1 276.344 1.797 20 0 CDADMM Cc1ccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)cc1 ZINC001605824186 1163680171 /nfs/dbraw/zinc/68/01/71/1163680171.db2.gz VJBWJGRBTBLCDK-UHFFFAOYSA-N -1 1 269.268 1.151 20 0 CDADMM Cc1ccc(N[C@H](C)[C@H]2CCCOC2)nc1-c1nnn[n-]1 ZINC001605871773 1163700245 /nfs/dbraw/zinc/70/02/45/1163700245.db2.gz LJKRYLJVOAFCCK-MNOVXSKESA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(N[C@H](C)[C@H]2CCCOC2)nc1-c1nn[n-]n1 ZINC001605871773 1163700251 /nfs/dbraw/zinc/70/02/51/1163700251.db2.gz LJKRYLJVOAFCCK-MNOVXSKESA-N -1 1 288.355 1.797 20 0 CDADMM CCc1oc(C(=O)[O-])cc1C[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC001605879887 1163705242 /nfs/dbraw/zinc/70/52/42/1163705242.db2.gz VRQPVYKBAWLPJP-MSRIBSCDSA-N -1 1 281.352 1.989 20 0 CDADMM Cc1ccccc1[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001605934558 1163718935 /nfs/dbraw/zinc/71/89/35/1163718935.db2.gz GNQZJOXOWPTMBC-GFCCVEGCSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1ccccc1[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001605934558 1163718939 /nfs/dbraw/zinc/71/89/39/1163718939.db2.gz GNQZJOXOWPTMBC-GFCCVEGCSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1ccoc1CN(C)c1cccc(-c2nnn[n-]2)n1 ZINC001605964844 1163729786 /nfs/dbraw/zinc/72/97/86/1163729786.db2.gz DLHSZABSKMFKEF-UHFFFAOYSA-N -1 1 270.296 1.800 20 0 CDADMM Cc1ccoc1CN(C)c1cccc(-c2nn[n-]n2)n1 ZINC001605964844 1163729791 /nfs/dbraw/zinc/72/97/91/1163729791.db2.gz DLHSZABSKMFKEF-UHFFFAOYSA-N -1 1 270.296 1.800 20 0 CDADMM Cc1cnc(NC(=O)c2coc(-c3nnn[n-]3)c2)o1 ZINC001605980851 1163735423 /nfs/dbraw/zinc/73/54/23/1163735423.db2.gz ZBXCDOPORHPFSH-UHFFFAOYSA-N -1 1 260.213 1.008 20 0 CDADMM Cc1cnc(NC(=O)c2coc(-c3nn[n-]n3)c2)o1 ZINC001605980851 1163735429 /nfs/dbraw/zinc/73/54/29/1163735429.db2.gz ZBXCDOPORHPFSH-UHFFFAOYSA-N -1 1 260.213 1.008 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@@]23C[C@@H]2CCCC3)c1-c1nn[n-]n1 ZINC001606012925 1163743935 /nfs/dbraw/zinc/74/39/35/1163743935.db2.gz AZTZZWSIFIEWJA-SDBXPKJASA-N -1 1 287.327 1.417 20 0 CDADMM Cc1[nH]nc(NC(=O)c2cc[nH]c2C2CC2)c1-c1nn[n-]n1 ZINC001606014236 1163744435 /nfs/dbraw/zinc/74/44/35/1163744435.db2.gz DYPKBGSFBFUHCD-UHFFFAOYSA-N -1 1 298.310 1.356 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(Cc2nn(C)cc2Cl)c1C ZINC001606023796 1163751007 /nfs/dbraw/zinc/75/10/07/1163751007.db2.gz HYWJDAUHUMKZCC-UHFFFAOYSA-N -1 1 292.734 1.115 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2nn(C)cc2Cl)c1C ZINC001606023796 1163751012 /nfs/dbraw/zinc/75/10/12/1163751012.db2.gz HYWJDAUHUMKZCC-UHFFFAOYSA-N -1 1 292.734 1.115 20 0 CDADMM CN(C[C@H](O)C(F)(F)F)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001606093655 1163770857 /nfs/dbraw/zinc/77/08/57/1163770857.db2.gz CHGOHKYVOCCIQT-UWVGGRQHSA-N -1 1 295.232 1.806 20 0 CDADMM CNC(C)(C)c1cn(Cc2ccc(F)cc2C(=O)[O-])nn1 ZINC001606292355 1163838454 /nfs/dbraw/zinc/83/84/54/1163838454.db2.gz IITOMDQFSONVFE-UHFFFAOYSA-N -1 1 292.314 1.618 20 0 CDADMM Fc1cc(F)cc(COc2cnc(-c3nn[n-]n3)nc2)c1 ZINC001606312357 1163853364 /nfs/dbraw/zinc/85/33/64/1163853364.db2.gz MERFOSILYWGZAE-UHFFFAOYSA-N -1 1 290.233 1.514 20 0 CDADMM O=C(C=Cc1ccccc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001606482090 1163913354 /nfs/dbraw/zinc/91/33/54/1163913354.db2.gz MVIBBLGOBXDZKJ-SREVYHEPSA-N -1 1 281.279 1.242 20 0 CDADMM O=C(C=Cc1ccccc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001606482090 1163913360 /nfs/dbraw/zinc/91/33/60/1163913360.db2.gz MVIBBLGOBXDZKJ-SREVYHEPSA-N -1 1 281.279 1.242 20 0 CDADMM O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1cccc(-c2nnn[n-]2)n1 ZINC001606723880 1163971720 /nfs/dbraw/zinc/97/17/20/1163971720.db2.gz SSRXPBFTPVMEIJ-OUAUKWLOSA-N -1 1 298.350 1.428 20 0 CDADMM O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1cccc(-c2nn[n-]n2)n1 ZINC001606723880 1163971728 /nfs/dbraw/zinc/97/17/28/1163971728.db2.gz SSRXPBFTPVMEIJ-OUAUKWLOSA-N -1 1 298.350 1.428 20 0 CDADMM O=C(O[C@@H]1COc2ccccc21)c1ccc(-c2nn[n-]n2)o1 ZINC001606964583 1164042328 /nfs/dbraw/zinc/04/23/28/1164042328.db2.gz XKMDKJWOXPRNLC-GFCCVEGCSA-N -1 1 298.258 1.750 20 0 CDADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)[C@@H]1CCSC1 ZINC001606984923 1164048522 /nfs/dbraw/zinc/04/85/22/1164048522.db2.gz DFEGUAKEEUFZRD-ZCFIWIBFSA-N -1 1 297.365 1.120 20 0 CDADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)[C@@H]1CCSC1 ZINC001606984923 1164048527 /nfs/dbraw/zinc/04/85/27/1164048527.db2.gz DFEGUAKEEUFZRD-ZCFIWIBFSA-N -1 1 297.365 1.120 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@H]2CCC[C@@H]21 ZINC001607021995 1164063469 /nfs/dbraw/zinc/06/34/69/1164063469.db2.gz JXVASUMGBOUERF-MFKMUULPSA-N -1 1 298.350 1.666 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@H]2CCC[C@@H]21 ZINC001607021995 1164063474 /nfs/dbraw/zinc/06/34/74/1164063474.db2.gz JXVASUMGBOUERF-MFKMUULPSA-N -1 1 298.350 1.666 20 0 CDADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CC2(CCC2)C1 ZINC001607022517 1164063879 /nfs/dbraw/zinc/06/38/79/1164063879.db2.gz UUDIBASEPPVSEJ-UHFFFAOYSA-N -1 1 287.298 1.632 20 0 CDADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CC2(CCC2)C1 ZINC001607022517 1164063882 /nfs/dbraw/zinc/06/38/82/1164063882.db2.gz UUDIBASEPPVSEJ-UHFFFAOYSA-N -1 1 287.298 1.632 20 0 CDADMM O[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CCCCC1 ZINC001607098243 1164079284 /nfs/dbraw/zinc/07/92/84/1164079284.db2.gz WBICXNBPGJBCKA-LLVKDONJSA-N -1 1 289.343 1.010 20 0 CDADMM O[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001607098243 1164079292 /nfs/dbraw/zinc/07/92/92/1164079292.db2.gz WBICXNBPGJBCKA-LLVKDONJSA-N -1 1 289.343 1.010 20 0 CDADMM OCc1cccc(NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001607108748 1164088990 /nfs/dbraw/zinc/08/89/90/1164088990.db2.gz UOVQFAYGNPSZIM-UHFFFAOYSA-N -1 1 288.336 1.428 20 0 CDADMM OCc1cccc(NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001607108748 1164089000 /nfs/dbraw/zinc/08/90/00/1164089000.db2.gz UOVQFAYGNPSZIM-UHFFFAOYSA-N -1 1 288.336 1.428 20 0 CDADMM c1cc2cc(Nc3cncc(-c4nnn[n-]4)n3)ccc2[nH]1 ZINC001607123334 1164106715 /nfs/dbraw/zinc/10/67/15/1164106715.db2.gz NBBYFVBVLRQSGP-UHFFFAOYSA-N -1 1 278.279 1.882 20 0 CDADMM c1cc2cc(Nc3cncc(-c4nn[n-]n4)n3)ccc2[nH]1 ZINC001607123334 1164106719 /nfs/dbraw/zinc/10/67/19/1164106719.db2.gz NBBYFVBVLRQSGP-UHFFFAOYSA-N -1 1 278.279 1.882 20 0 CDADMM Cc1cc([C@H](C)N(C)CCN2CCCC2=O)oc1C(=O)[O-] ZINC001607606806 1164239375 /nfs/dbraw/zinc/23/93/75/1164239375.db2.gz BCSILNSSIKRTPI-NSHDSACASA-N -1 1 294.351 1.901 20 0 CDADMM Cc1cc([C@H](C)n2cc(CNC3CC3)nn2)oc1C(=O)[O-] ZINC001607611971 1164241015 /nfs/dbraw/zinc/24/10/15/1164241015.db2.gz YUIWXEZDTAFGMD-VIFPVBQESA-N -1 1 290.323 1.739 20 0 CDADMM Cc1cc(N)nc(N2CC[C@](C(=O)[O-])(c3ccccc3)C2)n1 ZINC001607669192 1164264444 /nfs/dbraw/zinc/26/44/44/1164264444.db2.gz GJUDPNRKOZQGQE-MRXNPFEDSA-N -1 1 298.346 1.600 20 0 CDADMM Cn1cnc(CN2CC[C@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC001608135478 1164422791 /nfs/dbraw/zinc/42/27/91/1164422791.db2.gz DVCHFTHMZPJHED-VIFPVBQESA-N -1 1 292.364 1.564 20 0 CDADMM NC1(c2noc(-c3ccc(C(=O)[O-])nc3)n2)CCCC1 ZINC001608250418 1164466819 /nfs/dbraw/zinc/46/68/19/1164466819.db2.gz FTQQGUFZBIBFEK-UHFFFAOYSA-N -1 1 274.280 1.558 20 0 CDADMM O=C([O-])[C@@H](NCc1ccc(=O)[nH]c1)c1ccccc1F ZINC001608550159 1164543249 /nfs/dbraw/zinc/54/32/49/1164543249.db2.gz FLSTWMTXVMUQEE-ZDUSSCGKSA-N -1 1 276.267 1.842 20 0 CDADMM O=C([O-])[C@H]1Cc2ccc(O)cc2CN1Cc1ccccn1 ZINC001608652788 1164590381 /nfs/dbraw/zinc/59/03/81/1164590381.db2.gz LLDPVAHVVUVSDG-OAHLLOKOSA-N -1 1 284.315 1.799 20 0 CDADMM O=C([O-])C[C@@H](NCc1nnc(-c2ccco2)o1)C1CC1 ZINC001608673878 1164598873 /nfs/dbraw/zinc/59/88/73/1164598873.db2.gz JDVUALHJYYHVEE-SECBINFHSA-N -1 1 277.280 1.673 20 0 CDADMM O=C([O-])C[N@@H+](CN1Cc2cc(F)c(F)cc2C1=O)C1CC1 ZINC001608746573 1164626527 /nfs/dbraw/zinc/62/65/27/1164626527.db2.gz ARTSKHMBXNELFK-UHFFFAOYSA-N -1 1 296.273 1.427 20 0 CDADMM O=C([O-])CN(CN1Cc2cc(F)c(F)cc2C1=O)C1CC1 ZINC001608746573 1164626529 /nfs/dbraw/zinc/62/65/29/1164626529.db2.gz ARTSKHMBXNELFK-UHFFFAOYSA-N -1 1 296.273 1.427 20 0 CDADMM O=C([O-])c1cc(C(=O)NC[C@H]2CCN2C2CCCC2)on1 ZINC001608837637 1164656470 /nfs/dbraw/zinc/65/64/70/1164656470.db2.gz ZCYDYAUYNAIUMN-SNVBAGLBSA-N -1 1 293.323 1.120 20 0 CDADMM O=C([O-])c1ccc(F)c(CN2CCC(CO)(CO)CC2)c1 ZINC001608895408 1164678445 /nfs/dbraw/zinc/67/84/45/1164678445.db2.gz XTJVYNHUGHGRSP-UHFFFAOYSA-N -1 1 297.326 1.091 20 0 CDADMM O=C([O-])c1cccc2c1CN(CCNC(=O)C1CC1)CC2 ZINC001608941930 1164689926 /nfs/dbraw/zinc/68/99/26/1164689926.db2.gz ALABXUFZAWCUIP-UHFFFAOYSA-N -1 1 288.347 1.269 20 0 CDADMM CC(C)c1ncc(NC(=O)c2ccc(-c3nn[n-]n3)o2)cn1 ZINC001609106030 1164772915 /nfs/dbraw/zinc/77/29/15/1164772915.db2.gz HAPBJRVJVKFQDJ-UHFFFAOYSA-N -1 1 299.294 1.625 20 0 CDADMM CC1(C)C[C@H](CNc2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001609143923 1164788288 /nfs/dbraw/zinc/78/82/88/1164788288.db2.gz AYPYXARAGGNDNU-SNVBAGLBSA-N -1 1 288.355 1.301 20 0 CDADMM CC1(C)C[C@H](CNc2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC001609143923 1164788295 /nfs/dbraw/zinc/78/82/95/1164788295.db2.gz AYPYXARAGGNDNU-SNVBAGLBSA-N -1 1 288.355 1.301 20 0 CDADMM C[C@H]1CCC[C@H]1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609163929 1164810696 /nfs/dbraw/zinc/81/06/96/1164810696.db2.gz IQQPORPDWAWGSB-GZMMTYOYSA-N -1 1 289.314 1.924 20 0 CDADMM C[C@H]1CCC[C@H]1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609163929 1164810704 /nfs/dbraw/zinc/81/07/04/1164810704.db2.gz IQQPORPDWAWGSB-GZMMTYOYSA-N -1 1 289.314 1.924 20 0 CDADMM C[C@H]1CN(c2cccnc2-c2nnn[n-]2)C[C@H](C)S1 ZINC001609176299 1164817592 /nfs/dbraw/zinc/81/75/92/1164817592.db2.gz RNNRPZRACHWCQM-IUCAKERBSA-N -1 1 276.369 1.592 20 0 CDADMM C[C@H]1CN(c2cccnc2-c2nn[n-]n2)C[C@H](C)S1 ZINC001609176299 1164817598 /nfs/dbraw/zinc/81/75/98/1164817598.db2.gz RNNRPZRACHWCQM-IUCAKERBSA-N -1 1 276.369 1.592 20 0 CDADMM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccncc1 ZINC001609193094 1164833790 /nfs/dbraw/zinc/83/37/90/1164833790.db2.gz ZKOFFXGMCJDOEV-SNVBAGLBSA-N -1 1 298.306 1.736 20 0 CDADMM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccncc1 ZINC001609193094 1164833794 /nfs/dbraw/zinc/83/37/94/1164833794.db2.gz ZKOFFXGMCJDOEV-SNVBAGLBSA-N -1 1 298.306 1.736 20 0 CDADMM CCC1(CC)CN(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001609197196 1164835530 /nfs/dbraw/zinc/83/55/30/1164835530.db2.gz SROYLAQTBMYNSP-UHFFFAOYSA-N -1 1 278.385 1.945 20 0 CDADMM CCC1(CC)CN(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001609197196 1164835534 /nfs/dbraw/zinc/83/55/34/1164835534.db2.gz SROYLAQTBMYNSP-UHFFFAOYSA-N -1 1 278.385 1.945 20 0 CDADMM CCCC(C)(C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609204192 1164845317 /nfs/dbraw/zinc/84/53/17/1164845317.db2.gz UONZJKBGKZYZBW-UHFFFAOYSA-N -1 1 263.301 1.768 20 0 CDADMM CCCC(C)(C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609204192 1164845319 /nfs/dbraw/zinc/84/53/19/1164845319.db2.gz UONZJKBGKZYZBW-UHFFFAOYSA-N -1 1 263.301 1.768 20 0 CDADMM CCc1nsc(Oc2ccc(F)nc2-c2nn[n-]n2)n1 ZINC001609256460 1164866922 /nfs/dbraw/zinc/86/69/22/1164866922.db2.gz LRJPVFPQQKHPDY-UHFFFAOYSA-N -1 1 293.287 1.607 20 0 CDADMM CCc1nc(COc2cnc(-c3nn[n-]n3)nc2)cs1 ZINC001609254802 1164867588 /nfs/dbraw/zinc/86/75/88/1164867588.db2.gz DGUSQIGCCFYONW-UHFFFAOYSA-N -1 1 289.324 1.255 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C)C[C@H](C)C2)n1 ZINC001609391580 1164923418 /nfs/dbraw/zinc/92/34/18/1164923418.db2.gz OJQSAAOAUHXDIT-DTORHVGOSA-N -1 1 273.344 1.447 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](C)C[C@H](C)C2)n1 ZINC001609391580 1164923421 /nfs/dbraw/zinc/92/34/21/1164923421.db2.gz OJQSAAOAUHXDIT-DTORHVGOSA-N -1 1 273.344 1.447 20 0 CDADMM Cc1cc(NCCc2cnccn2)cc(-c2nnn[n-]2)n1 ZINC001609410222 1164938564 /nfs/dbraw/zinc/93/85/64/1164938564.db2.gz AFHOQPZZRMNBSE-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1cc(NCCc2cnccn2)cc(-c2nn[n-]n2)n1 ZINC001609410222 1164938569 /nfs/dbraw/zinc/93/85/69/1164938569.db2.gz AFHOQPZZRMNBSE-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1ccc(CN(C)c2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001609423531 1164939493 /nfs/dbraw/zinc/93/94/93/1164939493.db2.gz WWQACPSAVSWOQT-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1ccc(CN(C)c2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001609423531 1164939497 /nfs/dbraw/zinc/93/94/97/1164939497.db2.gz WWQACPSAVSWOQT-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1ccc(N(C)Cc2ccncc2)nc1-c1nnn[n-]1 ZINC001609424712 1164940718 /nfs/dbraw/zinc/94/07/18/1164940718.db2.gz DKSDZSQJULGJBC-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1ccc(N(C)Cc2ccncc2)nc1-c1nn[n-]n1 ZINC001609424712 1164940722 /nfs/dbraw/zinc/94/07/22/1164940722.db2.gz DKSDZSQJULGJBC-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1cccc2c(NCCCCO)c(-c3nn[nH]n3)c[nH+]c12 ZINC001609434380 1164946526 /nfs/dbraw/zinc/94/65/26/1164946526.db2.gz BGNTURQNVIEVMK-UHFFFAOYSA-N -1 1 298.350 1.330 20 0 CDADMM C[C@@H](NCc1cc(C(=O)[O-])n(C)c1)C(=O)NC(C)(C)C ZINC001609780325 1165078545 /nfs/dbraw/zinc/07/85/45/1165078545.db2.gz OTWYBIRDPNGTFS-SECBINFHSA-N -1 1 281.356 1.116 20 0 CDADMM C[C@H](c1ccc(C(=O)[O-])o1)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC001609808608 1165088890 /nfs/dbraw/zinc/08/88/90/1165088890.db2.gz IGWJPACJRHHHBI-KEPMVKOISA-N -1 1 292.335 1.625 20 0 CDADMM COc1ccc(C(=O)[O-])c(NC(=O)N2CCN[C@@H](C)C2)c1 ZINC001610315990 1165288828 /nfs/dbraw/zinc/28/88/28/1165288828.db2.gz DLZNNPUWQUYEBR-VIFPVBQESA-N -1 1 293.323 1.219 20 0 CDADMM Cc1cc(O)c(C(=O)OCC2(CC(=O)[O-])CC2)cn1 ZINC001610431150 1165314806 /nfs/dbraw/zinc/31/48/06/1165314806.db2.gz SLQKMVNQKDLQJB-UHFFFAOYSA-N -1 1 265.265 1.095 20 0 CDADMM Nc1nc(CNC2(CC(=O)[O-])CC2)nc2ccccc12 ZINC001610648463 1165394283 /nfs/dbraw/zinc/39/42/83/1165394283.db2.gz FAOYDFJTQOKBHR-UHFFFAOYSA-N -1 1 272.308 1.309 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2nc3ccc(F)cc3[nH]2)c[nH]1 ZINC001610712729 1165411071 /nfs/dbraw/zinc/41/10/71/1165411071.db2.gz MZMSGVRLWKUIAQ-UHFFFAOYSA-N -1 1 288.238 1.981 20 0 CDADMM O=C([O-])C12CCC(C(=O)NCCN3CCC3)(CC1)CC2 ZINC001610730851 1165420563 /nfs/dbraw/zinc/42/05/63/1165420563.db2.gz LVRBNXPJDAHHPQ-UHFFFAOYSA-N -1 1 280.368 1.234 20 0 CDADMM O=C([O-])c1cc(CN2CC[C@H]([C@@H](O)C(F)(F)F)C2)c[nH]1 ZINC001610810645 1165450327 /nfs/dbraw/zinc/45/03/27/1165450327.db2.gz BXXPVZJXPVKLPO-WCBMZHEXSA-N -1 1 292.257 1.458 20 0 CDADMM O=C([O-])c1coc(C(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC001610867031 1165467950 /nfs/dbraw/zinc/46/79/50/1165467950.db2.gz BINXANILAWNNPW-VIFPVBQESA-N -1 1 275.264 1.508 20 0 CDADMM CC=CC=CC(=O)OCC(=O)c1ccc([O-])cc1O ZINC000018267259 1165651363 /nfs/dbraw/zinc/65/13/63/1165651363.db2.gz DNARAJNONFUIJP-MQQKCMAXSA-N -1 1 262.261 1.956 20 0 CDADMM Cn1cc(CNC(=O)c2ncc3ccccc3c2[O-])cn1 ZINC001626706822 1165953216 /nfs/dbraw/zinc/95/32/16/1165953216.db2.gz BAQPMHMBGFHODL-UHFFFAOYSA-N -1 1 282.303 1.604 20 0 CDADMM O=C(Cc1nnc[nH]1)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC001628392223 1166068424 /nfs/dbraw/zinc/06/84/24/1166068424.db2.gz DEBZJGAWVRCHED-UHFFFAOYSA-N -1 1 284.279 1.082 20 0 CDADMM O=C(Nc1cnn(CCF)c1)c1ccc(O)cc1[O-] ZINC001629469431 1166141746 /nfs/dbraw/zinc/14/17/46/1166141746.db2.gz UUEWPOLGFLWFLJ-UHFFFAOYSA-N -1 1 265.244 1.516 20 0 CDADMM CCC[C@H](NC(=O)c1ccc2[nH]ccc2n1)c1nn[n-]n1 ZINC001629476599 1166143472 /nfs/dbraw/zinc/14/34/72/1166143472.db2.gz ARCRTQBQBQGDAR-JTQLQIEISA-N -1 1 285.311 1.347 20 0 CDADMM O=[N+]([O-])c1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000095146723 1166596354 /nfs/dbraw/zinc/59/63/54/1166596354.db2.gz VPANXZMAMUEIDX-UHFFFAOYSA-N -1 1 284.235 1.962 20 0 CDADMM O=[N+]([O-])c1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000095146723 1166596369 /nfs/dbraw/zinc/59/63/69/1166596369.db2.gz VPANXZMAMUEIDX-UHFFFAOYSA-N -1 1 284.235 1.962 20 0 CDADMM FC(F)(F)c1cnc(-c2nnn[n-]2)c(N2CCCC2)c1 ZINC000095217620 1166609409 /nfs/dbraw/zinc/60/94/09/1166609409.db2.gz KSGKZLOUFUDIDG-UHFFFAOYSA-N -1 1 284.245 1.881 20 0 CDADMM FC(F)(F)c1cnc(-c2nn[n-]n2)c(N2CCCC2)c1 ZINC000095217620 1166609413 /nfs/dbraw/zinc/60/94/13/1166609413.db2.gz KSGKZLOUFUDIDG-UHFFFAOYSA-N -1 1 284.245 1.881 20 0 CDADMM C[C@@H]1CCCC[C@H]1N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC000095254907 1166612488 /nfs/dbraw/zinc/61/24/88/1166612488.db2.gz QPEJUDSFBNFVAQ-MWLCHTKSSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1CCCC[C@H]1N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC000095254907 1166612491 /nfs/dbraw/zinc/61/24/91/1166612491.db2.gz QPEJUDSFBNFVAQ-MWLCHTKSSA-N -1 1 273.344 1.672 20 0 CDADMM CN(Cc1cn(C)nn1)C(=O)c1cc2ccccc2cc1[O-] ZINC001640593271 1167037523 /nfs/dbraw/zinc/03/75/23/1167037523.db2.gz WZDGSIOXDPJAOO-UHFFFAOYSA-N -1 1 296.330 1.946 20 0 CDADMM CCn1cc(NC(=O)c2[n-][nH]c3cc(=O)ccc2-3)ccc1=O ZINC001155273675 1167113020 /nfs/dbraw/zinc/11/30/20/1167113020.db2.gz SOZPTCKDBQILNR-UHFFFAOYSA-N -1 1 298.302 1.702 20 0 CDADMM O=C([O-])C1(c2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)CCCCC1 ZINC001645859547 1167540112 /nfs/dbraw/zinc/54/01/12/1167540112.db2.gz SOZKKGJRRAXIDM-BBBLOLIVSA-N -1 1 277.324 1.779 20 0 CDADMM COC(=O)C1=C(C)O[C@H](CSc2ncc(C)c(=O)[n-]2)C1 ZINC001645944459 1167580226 /nfs/dbraw/zinc/58/02/26/1167580226.db2.gz ZURALBVFAYYTTK-VIFPVBQESA-N -1 1 296.348 1.819 20 0 CDADMM O=C([O-])[C@H](CO)NCc1c(Cl)cccc1OC(F)F ZINC001646234614 1167715192 /nfs/dbraw/zinc/71/51/92/1167715192.db2.gz PNHDCQKXIYYMIU-QMMMGPOBSA-N -1 1 295.669 1.477 20 0 CDADMM COC[C@@H](CCO)NCc1cc(C(=O)[O-])ccc1Cl ZINC001610248149 1167993678 /nfs/dbraw/zinc/99/36/78/1167993678.db2.gz YENICNZRZHOKJI-LLVKDONJSA-N -1 1 287.743 1.525 20 0 CDADMM O=C(Nc1cnn(-c2ccccn2)c1)c1ccc([O-])cn1 ZINC001565859365 1168189240 /nfs/dbraw/zinc/18/92/40/1168189240.db2.gz CSRKSRCGDUTAKH-UHFFFAOYSA-N -1 1 281.275 1.620 20 0 CDADMM CN(C(=O)CCOc1ccc(Cl)c(F)c1)c1nn[n-]n1 ZINC001647398517 1168646755 /nfs/dbraw/zinc/64/67/55/1168646755.db2.gz HHACUHBJGHGJAX-UHFFFAOYSA-N -1 1 299.693 1.424 20 0 CDADMM O=C([O-])[C@@H](O)CNCc1ccc(F)cc1Br ZINC001647417268 1168670131 /nfs/dbraw/zinc/67/01/31/1168670131.db2.gz TTZMRYJSCDFKBW-VIFPVBQESA-N -1 1 292.104 1.123 20 0 CDADMM O=C([O-])C[C@H](C[NH2+]Cc1ccn[nH]1)c1ccc(F)cc1 ZINC001647485546 1168757754 /nfs/dbraw/zinc/75/77/54/1168757754.db2.gz MMSVBMGMYRTUCD-LLVKDONJSA-N -1 1 277.299 1.897 20 0 CDADMM Cc1nc(C(C)(C)C)sc1C(=O)N(C)c1nn[n-]n1 ZINC001650000061 1169587769 /nfs/dbraw/zinc/58/77/69/1169587769.db2.gz TWWMXQWJRMUUQG-UHFFFAOYSA-N -1 1 280.357 1.539 20 0 CDADMM CCO[C@H]1CCN(Cc2cnc3c(C(=O)[O-])cnn3c2)C1 ZINC001573800951 1170781195 /nfs/dbraw/zinc/78/11/95/1170781195.db2.gz CNSVUCQSXLRIDM-NSHDSACASA-N -1 1 290.323 1.038 20 0 CDADMM Cc1nc(NCc2cnc(C(C)C)[nH]2)ncc1C(=O)[O-] ZINC001574191346 1170912450 /nfs/dbraw/zinc/91/24/50/1170912450.db2.gz FMTSKUKTIBCVFV-UHFFFAOYSA-N -1 1 275.312 1.942 20 0 CDADMM CC[C@@H]1C[C@H]1CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001578440282 1171911536 /nfs/dbraw/zinc/91/15/36/1171911536.db2.gz UJHXKXVELWZVNC-BDAKNGLRSA-N -1 1 272.312 1.038 20 0 CDADMM CC[C@@H]1C[C@H]1CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001578440282 1171911540 /nfs/dbraw/zinc/91/15/40/1171911540.db2.gz UJHXKXVELWZVNC-BDAKNGLRSA-N -1 1 272.312 1.038 20 0 CDADMM F[C@]1(c2ccccc2)C[C@@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001581851507 1172624033 /nfs/dbraw/zinc/62/40/33/1172624033.db2.gz ZTOXRHAPYCNAEM-ZFWWWQNUSA-N -1 1 296.309 1.733 20 0 CDADMM F[C@]1(c2ccccc2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001581851507 1172624039 /nfs/dbraw/zinc/62/40/39/1172624039.db2.gz ZTOXRHAPYCNAEM-ZFWWWQNUSA-N -1 1 296.309 1.733 20 0 CDADMM Fc1ccc(Cn2ccnc2-c2nnn[n-]2)c2ncccc12 ZINC001581854470 1172624318 /nfs/dbraw/zinc/62/43/18/1172624318.db2.gz YZWQMLIVRQNGSN-UHFFFAOYSA-N -1 1 295.281 1.799 20 0 CDADMM Fc1ccc(Cn2ccnc2-c2nn[n-]n2)c2ncccc12 ZINC001581854470 1172624323 /nfs/dbraw/zinc/62/43/23/1172624323.db2.gz YZWQMLIVRQNGSN-UHFFFAOYSA-N -1 1 295.281 1.799 20 0 CDADMM O=C(C=C1CCC1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001581952574 1172634126 /nfs/dbraw/zinc/63/41/26/1172634126.db2.gz CEKGEJABJICYTM-UHFFFAOYSA-N -1 1 275.337 1.655 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(N[C@@H]2C[C@H]2C2CCC2)n1 ZINC001582820470 1172697092 /nfs/dbraw/zinc/69/70/92/1172697092.db2.gz IPYFCVOOTZJRFD-WCBMZHEXSA-N -1 1 257.301 1.257 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NCC1CCC=CCC1 ZINC001588386819 1173058813 /nfs/dbraw/zinc/05/88/13/1173058813.db2.gz QCTJITWJWMDXMU-UHFFFAOYSA-N -1 1 271.328 1.815 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NCC1CCC=CCC1 ZINC001588386819 1173058820 /nfs/dbraw/zinc/05/88/20/1173058820.db2.gz QCTJITWJWMDXMU-UHFFFAOYSA-N -1 1 271.328 1.815 20 0 CDADMM CC(=Cc1nc(-c2nnn[n-]2)cs1)c1cnccn1 ZINC001588772787 1173103969 /nfs/dbraw/zinc/10/39/69/1173103969.db2.gz RPTSHLUDIRLPOZ-DAXSKMNVSA-N -1 1 271.309 1.674 20 0 CDADMM CC(=Cc1nc(-c2nn[n-]n2)cs1)c1cnccn1 ZINC001588772787 1173103974 /nfs/dbraw/zinc/10/39/74/1173103974.db2.gz RPTSHLUDIRLPOZ-DAXSKMNVSA-N -1 1 271.309 1.674 20 0 CDADMM CC(C)(C)C(C)(C)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001589086024 1173122158 /nfs/dbraw/zinc/12/21/58/1173122158.db2.gz PCGXQYUWFCKYTJ-UHFFFAOYSA-N -1 1 261.333 1.893 20 0 CDADMM CC(C)(C)C(C)(C)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001589086024 1173122160 /nfs/dbraw/zinc/12/21/60/1173122160.db2.gz PCGXQYUWFCKYTJ-UHFFFAOYSA-N -1 1 261.333 1.893 20 0 CDADMM CC(C)(C)C1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001589105385 1173124775 /nfs/dbraw/zinc/12/47/75/1173124775.db2.gz VYMKZXRSBKYMDP-UHFFFAOYSA-N -1 1 275.312 1.578 20 0 CDADMM CC(C)(C)C1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001589105385 1173124777 /nfs/dbraw/zinc/12/47/77/1173124777.db2.gz VYMKZXRSBKYMDP-UHFFFAOYSA-N -1 1 275.312 1.578 20 0 CDADMM CC(C)CON=c1[nH]c2ncccc2cc1-c1nn[n-]n1 ZINC001589647297 1173164574 /nfs/dbraw/zinc/16/45/74/1173164574.db2.gz JXLIWVGOZPQMOF-UHFFFAOYSA-N -1 1 285.311 1.809 20 0 CDADMM CC(C)c1coc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001589774107 1173175613 /nfs/dbraw/zinc/17/56/13/1173175613.db2.gz WGPPLXRDVBXILZ-UHFFFAOYSA-N -1 1 299.294 1.625 20 0 CDADMM CC(C)c1coc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001589774107 1173175617 /nfs/dbraw/zinc/17/56/17/1173175617.db2.gz WGPPLXRDVBXILZ-UHFFFAOYSA-N -1 1 299.294 1.625 20 0 CDADMM C[C@@H](CNc1cc(-c2nnn[n-]2)ncn1)CC(F)F ZINC001589875424 1173192399 /nfs/dbraw/zinc/19/23/99/1173192399.db2.gz FQTZDFBVYDADKV-ZCFIWIBFSA-N -1 1 269.259 1.360 20 0 CDADMM C[C@@H](CNc1cc(-c2nn[n-]n2)ncn1)CC(F)F ZINC001589875424 1173192402 /nfs/dbraw/zinc/19/24/02/1173192402.db2.gz FQTZDFBVYDADKV-ZCFIWIBFSA-N -1 1 269.259 1.360 20 0 CDADMM C[C@@H](Cc1ccco1)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589903337 1173200709 /nfs/dbraw/zinc/20/07/09/1173200709.db2.gz ZHWZOTIFRSOYRF-VIFPVBQESA-N -1 1 298.306 1.216 20 0 CDADMM C[C@@H](Cc1ccco1)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589903337 1173200716 /nfs/dbraw/zinc/20/07/16/1173200716.db2.gz ZHWZOTIFRSOYRF-VIFPVBQESA-N -1 1 298.306 1.216 20 0 CDADMM C[C@]1(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CCCCO1 ZINC001590071135 1173243557 /nfs/dbraw/zinc/24/35/57/1173243557.db2.gz STAYKRZTJOJIAD-CYBMUJFWSA-N -1 1 288.311 1.159 20 0 CDADMM C[C@]1(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CCCCO1 ZINC001590071135 1173243563 /nfs/dbraw/zinc/24/35/63/1173243563.db2.gz STAYKRZTJOJIAD-CYBMUJFWSA-N -1 1 288.311 1.159 20 0 CDADMM CC1(C)CC[C@H](Cn2ccc(-c3nn[n-]n3)cc2=O)OC1 ZINC001590090380 1173253714 /nfs/dbraw/zinc/25/37/14/1173253714.db2.gz KSNPFOYAYYPNSH-LLVKDONJSA-N -1 1 289.339 1.234 20 0 CDADMM CC1(C)CC[C@H]1C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001590092087 1173254713 /nfs/dbraw/zinc/25/47/13/1173254713.db2.gz DKNWXKOFECVPBH-JTQLQIEISA-N -1 1 287.323 1.741 20 0 CDADMM CC1(C)CC[C@H]1C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001590092087 1173254723 /nfs/dbraw/zinc/25/47/23/1173254723.db2.gz DKNWXKOFECVPBH-JTQLQIEISA-N -1 1 287.323 1.741 20 0 CDADMM CC1=CC[C@](C)(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC1 ZINC001590161862 1173279218 /nfs/dbraw/zinc/27/92/18/1173279218.db2.gz WZWXYMSFGVJAPU-ZDUSSCGKSA-N -1 1 287.327 1.665 20 0 CDADMM CC1=CC[C@](C)(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC1 ZINC001590161862 1173279223 /nfs/dbraw/zinc/27/92/23/1173279223.db2.gz WZWXYMSFGVJAPU-ZDUSSCGKSA-N -1 1 287.327 1.665 20 0 CDADMM C[C@@H]1C[C@H](NC(=O)c2ccsc2-c2nnn[n-]2)CS1 ZINC001590203164 1173289345 /nfs/dbraw/zinc/28/93/45/1173289345.db2.gz NNBMOXIQYWFFQF-RQJHMYQMSA-N -1 1 295.393 1.552 20 0 CDADMM C[C@@H]1C[C@H](NC(=O)c2ccsc2-c2nn[n-]n2)CS1 ZINC001590203164 1173289349 /nfs/dbraw/zinc/28/93/49/1173289349.db2.gz NNBMOXIQYWFFQF-RQJHMYQMSA-N -1 1 295.393 1.552 20 0 CDADMM C[C@H]1CC[C@H](NC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590234949 1173306685 /nfs/dbraw/zinc/30/66/85/1173306685.db2.gz AUFPBALOKAIEMR-WPRPVWTQSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@H]1CC[C@H](NC(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590234949 1173306692 /nfs/dbraw/zinc/30/66/92/1173306692.db2.gz AUFPBALOKAIEMR-WPRPVWTQSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590249221 1173318362 /nfs/dbraw/zinc/31/83/62/1173318362.db2.gz PSRXAKFFVBDKFM-KOLCDFICSA-N -1 1 286.339 1.109 20 0 CDADMM C[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590249221 1173318370 /nfs/dbraw/zinc/31/83/70/1173318370.db2.gz PSRXAKFFVBDKFM-KOLCDFICSA-N -1 1 286.339 1.109 20 0 CDADMM C[C@@H]1CCCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590255047 1173324197 /nfs/dbraw/zinc/32/41/97/1173324197.db2.gz POSIAVQSNIUHJT-SECBINFHSA-N -1 1 259.317 1.283 20 0 CDADMM C[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)CCS1 ZINC001590273982 1173335703 /nfs/dbraw/zinc/33/57/03/1173335703.db2.gz DOIMOOHTWKGSHD-SECBINFHSA-N -1 1 276.369 1.594 20 0 CDADMM C[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)CCS1 ZINC001590273982 1173335708 /nfs/dbraw/zinc/33/57/08/1173335708.db2.gz DOIMOOHTWKGSHD-SECBINFHSA-N -1 1 276.369 1.594 20 0 CDADMM CC[C@@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)[C@@H](C)O ZINC001590471446 1173421283 /nfs/dbraw/zinc/42/12/83/1173421283.db2.gz FUJQCIHBYQVONS-VXNVDRBHSA-N -1 1 289.343 1.105 20 0 CDADMM CC[C@@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)[C@@H](C)O ZINC001590471446 1173421288 /nfs/dbraw/zinc/42/12/88/1173421288.db2.gz FUJQCIHBYQVONS-VXNVDRBHSA-N -1 1 289.343 1.105 20 0 CDADMM CC[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001590506472 1173440235 /nfs/dbraw/zinc/44/02/35/1173440235.db2.gz STMLVTZSYZECJG-RKDXNWHRSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001590506472 1173440242 /nfs/dbraw/zinc/44/02/42/1173440242.db2.gz STMLVTZSYZECJG-RKDXNWHRSA-N -1 1 275.316 1.026 20 0 CDADMM CCCc1nccnc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590661500 1173483425 /nfs/dbraw/zinc/48/34/25/1173483425.db2.gz HJWBYKUVIBASIJ-UHFFFAOYSA-N -1 1 299.294 1.455 20 0 CDADMM CCN(C[C@@H]1CCOC1)c1cc(C)nc(-c2nnn[n-]2)c1 ZINC001590691290 1173493600 /nfs/dbraw/zinc/49/36/00/1173493600.db2.gz UGIQQUZJZWTRDZ-NSHDSACASA-N -1 1 288.355 1.433 20 0 CDADMM CCN(C[C@@H]1CCOC1)c1cc(C)nc(-c2nn[n-]n2)c1 ZINC001590691290 1173493603 /nfs/dbraw/zinc/49/36/03/1173493603.db2.gz UGIQQUZJZWTRDZ-NSHDSACASA-N -1 1 288.355 1.433 20 0 CDADMM CCc1[nH]ccc1C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001590870750 1173533902 /nfs/dbraw/zinc/53/39/02/1173533902.db2.gz CQADIYDWGAVBEO-UHFFFAOYSA-N -1 1 286.299 1.041 20 0 CDADMM CCc1cc(NCc2csc(-c3nn[n-]n3)c2)nn1C ZINC001590883510 1173535944 /nfs/dbraw/zinc/53/59/44/1173535944.db2.gz GMSYZIDQTAPMRN-UHFFFAOYSA-N -1 1 289.368 1.836 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@H](C)CC)n1 ZINC001590903699 1173537841 /nfs/dbraw/zinc/53/78/41/1173537841.db2.gz IAQQYEBXERAMQL-SECBINFHSA-N -1 1 275.360 1.701 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@H](C)CC)n1 ZINC001590903699 1173537849 /nfs/dbraw/zinc/53/78/49/1173537849.db2.gz IAQQYEBXERAMQL-SECBINFHSA-N -1 1 275.360 1.701 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H]3C[C@H]32)n1 ZINC001590907185 1173542368 /nfs/dbraw/zinc/54/23/68/1173542368.db2.gz HNKOYFQQUVHANB-WCBMZHEXSA-N -1 1 271.328 1.208 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H]3C[C@H]32)n1 ZINC001590907185 1173542373 /nfs/dbraw/zinc/54/23/73/1173542373.db2.gz HNKOYFQQUVHANB-WCBMZHEXSA-N -1 1 271.328 1.208 20 0 CDADMM CCc1nc(NCC[C@@H](C)F)cc(-c2nnn[n-]2)n1 ZINC001590919214 1173544135 /nfs/dbraw/zinc/54/41/35/1173544135.db2.gz FVHIIVDTFQRAAN-SSDOTTSWSA-N -1 1 265.296 1.379 20 0 CDADMM CCc1nc(NCC[C@@H](C)F)cc(-c2nn[n-]n2)n1 ZINC001590919214 1173544141 /nfs/dbraw/zinc/54/41/41/1173544141.db2.gz FVHIIVDTFQRAAN-SSDOTTSWSA-N -1 1 265.296 1.379 20 0 CDADMM CN(C[C@@H]1CC1(C)C)c1nccnc1-c1nnn[n-]1 ZINC001591053996 1173568967 /nfs/dbraw/zinc/56/89/67/1173568967.db2.gz ZSZBDZBYYSGSMV-QMMMGPOBSA-N -1 1 259.317 1.139 20 0 CDADMM CN(C[C@@H]1CC1(C)C)c1nccnc1-c1nn[n-]n1 ZINC001591053996 1173568971 /nfs/dbraw/zinc/56/89/71/1173568971.db2.gz ZSZBDZBYYSGSMV-QMMMGPOBSA-N -1 1 259.317 1.139 20 0 CDADMM CN(C[C@H]1CCCO1)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001591125944 1173573979 /nfs/dbraw/zinc/57/39/79/1173573979.db2.gz AYTYVIYTNPVKLF-MRVPVSSYSA-N -1 1 293.352 1.179 20 0 CDADMM CN(C[C@H]1CCCO1)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001591125944 1173573984 /nfs/dbraw/zinc/57/39/84/1173573984.db2.gz AYTYVIYTNPVKLF-MRVPVSSYSA-N -1 1 293.352 1.179 20 0 CDADMM COC1(CCNc2cc(-c3nnn[n-]3)nc(C)n2)CCC1 ZINC001591340990 1173620930 /nfs/dbraw/zinc/62/09/30/1173620930.db2.gz GAIKGUAYGJBFEQ-UHFFFAOYSA-N -1 1 289.343 1.336 20 0 CDADMM COC1(CCNc2cc(-c3nn[n-]n3)nc(C)n2)CCC1 ZINC001591340990 1173620933 /nfs/dbraw/zinc/62/09/33/1173620933.db2.gz GAIKGUAYGJBFEQ-UHFFFAOYSA-N -1 1 289.343 1.336 20 0 CDADMM CO[C@@H]1CN(c2ccc(C)nc2-c2nnn[n-]2)CC[C@@H]1C ZINC001591359628 1173627556 /nfs/dbraw/zinc/62/75/56/1173627556.db2.gz DVOUUQAAMWGTKP-JOYOIKCWSA-N -1 1 288.355 1.431 20 0 CDADMM CO[C@@H]1CN(c2ccc(C)nc2-c2nn[n-]n2)CC[C@@H]1C ZINC001591359628 1173627561 /nfs/dbraw/zinc/62/75/61/1173627561.db2.gz DVOUUQAAMWGTKP-JOYOIKCWSA-N -1 1 288.355 1.431 20 0 CDADMM COC[C@@H]1CCN(c2nc(-c3nn[n-]n3)ccc2C)C1 ZINC001591394274 1173644180 /nfs/dbraw/zinc/64/41/80/1173644180.db2.gz QEKWUCVZVPUKEI-SNVBAGLBSA-N -1 1 274.328 1.043 20 0 CDADMM COCc1ccc(Cn2cccc(-c3nn[n-]n3)c2=O)cc1 ZINC001591455797 1173655095 /nfs/dbraw/zinc/65/50/95/1173655095.db2.gz DMYJHZYEBGQLLE-UHFFFAOYSA-N -1 1 297.318 1.223 20 0 CDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)c1cccc(O)c1 ZINC001591731919 1173694489 /nfs/dbraw/zinc/69/44/89/1173694489.db2.gz UAUSIXQJDJLLJT-MRVPVSSYSA-N -1 1 283.295 1.535 20 0 CDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)c1cccc(O)c1 ZINC001591731919 1173694492 /nfs/dbraw/zinc/69/44/92/1173694492.db2.gz UAUSIXQJDJLLJT-MRVPVSSYSA-N -1 1 283.295 1.535 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@]3(CCOC3)C2)c1 ZINC001591889289 1173738865 /nfs/dbraw/zinc/73/88/65/1173738865.db2.gz OWWWBRVWYADRIQ-AWEZNQCLSA-N -1 1 286.339 1.187 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@]3(CCOC3)C2)c1 ZINC001591889289 1173738872 /nfs/dbraw/zinc/73/88/72/1173738872.db2.gz OWWWBRVWYADRIQ-AWEZNQCLSA-N -1 1 286.339 1.187 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@H](C)F)n1 ZINC001591897048 1173744662 /nfs/dbraw/zinc/74/46/62/1173744662.db2.gz WXBOYNNKJXNJHA-LURJTMIESA-N -1 1 251.269 1.125 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@H](C)F)n1 ZINC001591897048 1173744663 /nfs/dbraw/zinc/74/46/63/1173744663.db2.gz WXBOYNNKJXNJHA-LURJTMIESA-N -1 1 251.269 1.125 20 0 CDADMM Cc1cc(F)ccc1C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001591992630 1173767961 /nfs/dbraw/zinc/76/79/61/1173767961.db2.gz SVZXQYFZAAEMTE-UHFFFAOYSA-N -1 1 287.258 1.290 20 0 CDADMM Cc1cc(N2CCC[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001592003774 1173769191 /nfs/dbraw/zinc/76/91/91/1173769191.db2.gz JRIMIVJYVGGHNV-SECBINFHSA-N -1 1 258.329 1.806 20 0 CDADMM Cc1cc(N2CCC[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001592003774 1173769194 /nfs/dbraw/zinc/76/91/94/1173769194.db2.gz JRIMIVJYVGGHNV-SECBINFHSA-N -1 1 258.329 1.806 20 0 CDADMM Cc1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)no1 ZINC001592031542 1173777122 /nfs/dbraw/zinc/77/71/22/1173777122.db2.gz KTNRDBWFQSHEGY-UHFFFAOYSA-N -1 1 260.213 1.008 20 0 CDADMM Cc1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)no1 ZINC001592031542 1173777127 /nfs/dbraw/zinc/77/71/27/1173777127.db2.gz KTNRDBWFQSHEGY-UHFFFAOYSA-N -1 1 260.213 1.008 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001592112416 1173801036 /nfs/dbraw/zinc/80/10/36/1173801036.db2.gz JIOHYLUYQGBAEK-HINXJTCJSA-N -1 1 284.323 1.158 20 0 CDADMM Cc1ccc(CCNc2ncncc2-c2nn[n-]n2)cc1 ZINC001592151394 1173812359 /nfs/dbraw/zinc/81/23/59/1173812359.db2.gz NWDZNFBCNXEDTP-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1coc(Sc2cc(-c3nnn[n-]3)ncn2)n1 ZINC001592307878 1173852696 /nfs/dbraw/zinc/85/26/96/1173852696.db2.gz XZPXNWISQWEGQB-UHFFFAOYSA-N -1 1 261.270 1.104 20 0 CDADMM Cc1coc(Sc2cc(-c3nn[n-]n3)ncn2)n1 ZINC001592307878 1173852699 /nfs/dbraw/zinc/85/26/99/1173852699.db2.gz XZPXNWISQWEGQB-UHFFFAOYSA-N -1 1 261.270 1.104 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@H](C)C(C)C)c1-c1nn[n-]n1 ZINC001592327661 1173854577 /nfs/dbraw/zinc/85/45/77/1173854577.db2.gz LDCAAICVTGNLRD-ZCFIWIBFSA-N -1 1 263.305 1.129 20 0 CDADMM Cc1nc([C@@H](C)OC(=O)c2coc(-c3nnn[n-]3)c2)no1 ZINC001592353896 1173864674 /nfs/dbraw/zinc/86/46/74/1173864674.db2.gz ILIJAHKBPOPEBF-RXMQYKEDSA-N -1 1 290.239 1.069 20 0 CDADMM Cc1nc([C@@H](C)OC(=O)c2coc(-c3nn[n-]n3)c2)no1 ZINC001592353896 1173864681 /nfs/dbraw/zinc/86/46/81/1173864681.db2.gz ILIJAHKBPOPEBF-RXMQYKEDSA-N -1 1 290.239 1.069 20 0 CDADMM COc1ccc(CN2CCN(C)CC2)cc1C(=O)[O-] ZINC000087829199 1173875495 /nfs/dbraw/zinc/87/54/95/1173875495.db2.gz FEZBFRPRBJRFKN-UHFFFAOYSA-N -1 1 264.325 1.141 20 0 CDADMM Cc1ncsc1CCCn1ccnc1-c1nnn[n-]1 ZINC001592423421 1173886566 /nfs/dbraw/zinc/88/65/66/1173886566.db2.gz DOMOPQFUWOHKOO-UHFFFAOYSA-N -1 1 275.341 1.461 20 0 CDADMM Cc1ncsc1CCCn1ccnc1-c1nn[n-]n1 ZINC001592423421 1173886570 /nfs/dbraw/zinc/88/65/70/1173886570.db2.gz DOMOPQFUWOHKOO-UHFFFAOYSA-N -1 1 275.341 1.461 20 0 CDADMM Cc1noc(C)c1[C@@H](C)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001592456031 1173893928 /nfs/dbraw/zinc/89/39/28/1173893928.db2.gz DAUGHYZNORVEQU-SSDOTTSWSA-N -1 1 285.311 1.462 20 0 CDADMM Cc1noc(C)c1[C@@H](C)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001592456031 1173893940 /nfs/dbraw/zinc/89/39/40/1173893940.db2.gz DAUGHYZNORVEQU-SSDOTTSWSA-N -1 1 285.311 1.462 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc(C2(C)CC2)no1 ZINC001592495723 1173904057 /nfs/dbraw/zinc/90/40/57/1173904057.db2.gz PMNFANZHGMZFBM-UHFFFAOYSA-N -1 1 272.268 1.870 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc(C2(C)CC2)no1 ZINC001592495723 1173904061 /nfs/dbraw/zinc/90/40/61/1173904061.db2.gz PMNFANZHGMZFBM-UHFFFAOYSA-N -1 1 272.268 1.870 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC001592500009 1173907302 /nfs/dbraw/zinc/90/73/02/1173907302.db2.gz GUJJVCMDKLEKHN-WKNZSSQBSA-N -1 1 287.323 1.542 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC001592500009 1173907311 /nfs/dbraw/zinc/90/73/11/1173907311.db2.gz GUJJVCMDKLEKHN-WKNZSSQBSA-N -1 1 287.323 1.542 20 0 CDADMM Cc1occc1CN(C)Cc1nc(-c2nnn[n-]2)cs1 ZINC001592511112 1173911904 /nfs/dbraw/zinc/91/19/04/1173911904.db2.gz FDJQMCGALXQRCV-UHFFFAOYSA-N -1 1 290.352 1.857 20 0 CDADMM Cc1occc1CN(C)Cc1nc(-c2nn[n-]n2)cs1 ZINC001592511112 1173911909 /nfs/dbraw/zinc/91/19/09/1173911909.db2.gz FDJQMCGALXQRCV-UHFFFAOYSA-N -1 1 290.352 1.857 20 0 CDADMM ClC1(Cl)C[C@@H]1CNc1cccnc1-c1nnn[n-]1 ZINC001592523627 1173911941 /nfs/dbraw/zinc/91/19/41/1173911941.db2.gz GKRDLUYXSKWAHQ-ZCFIWIBFSA-N -1 1 285.138 1.867 20 0 CDADMM ClC1(Cl)C[C@@H]1CNc1cccnc1-c1nn[n-]n1 ZINC001592523627 1173911945 /nfs/dbraw/zinc/91/19/45/1173911945.db2.gz GKRDLUYXSKWAHQ-ZCFIWIBFSA-N -1 1 285.138 1.867 20 0 CDADMM Cn1ncc(C2CC2)c1CNc1cccnc1-c1nnn[n-]1 ZINC001592600179 1173927157 /nfs/dbraw/zinc/92/71/57/1173927157.db2.gz OATTTWNBUPFQPK-UHFFFAOYSA-N -1 1 296.338 1.485 20 0 CDADMM Cn1ncc(C2CC2)c1CNc1cccnc1-c1nn[n-]n1 ZINC001592600179 1173927160 /nfs/dbraw/zinc/92/71/60/1173927160.db2.gz OATTTWNBUPFQPK-UHFFFAOYSA-N -1 1 296.338 1.485 20 0 CDADMM FC(F)(F)CC1CN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001592615269 1173929866 /nfs/dbraw/zinc/92/98/66/1173929866.db2.gz HRVDVBOGGREERI-UHFFFAOYSA-N -1 1 285.233 1.045 20 0 CDADMM FC(F)(F)CC1CN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001592615269 1173929875 /nfs/dbraw/zinc/92/98/75/1173929875.db2.gz HRVDVBOGGREERI-UHFFFAOYSA-N -1 1 285.233 1.045 20 0 CDADMM Fc1ccc(Cl)cc1Cn1cc(-c2nn[n-]n2)nn1 ZINC001592649161 1173951877 /nfs/dbraw/zinc/95/18/77/1173951877.db2.gz HLXYOVGTYNWHDI-UHFFFAOYSA-N -1 1 279.666 1.299 20 0 CDADMM Fc1ccc(Oc2ncncc2Cl)c(-c2nn[n-]n2)n1 ZINC001592652818 1173954136 /nfs/dbraw/zinc/95/41/36/1173954136.db2.gz UVNJXTKHUGOTJS-UHFFFAOYSA-N -1 1 293.649 1.637 20 0 CDADMM Fc1cccc(OC[C@@H]2C[C@]23CCOC3)c1-c1nnn[n-]1 ZINC001592658571 1173958315 /nfs/dbraw/zinc/95/83/15/1173958315.db2.gz VEEBUBDZZQGDII-XPTSAGLGSA-N -1 1 290.298 1.811 20 0 CDADMM Fc1cccc(OC[C@@H]2C[C@]23CCOC3)c1-c1nn[n-]n1 ZINC001592658571 1173958318 /nfs/dbraw/zinc/95/83/18/1173958318.db2.gz VEEBUBDZZQGDII-XPTSAGLGSA-N -1 1 290.298 1.811 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1C[C@H]2CCCC[C@H]21 ZINC001592914693 1174004221 /nfs/dbraw/zinc/00/42/21/1174004221.db2.gz FWWXLBJSGRFJAU-DGCLKSJQSA-N -1 1 298.350 1.205 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1C[C@H]2CCCC[C@H]21 ZINC001592914693 1174004228 /nfs/dbraw/zinc/00/42/28/1174004228.db2.gz FWWXLBJSGRFJAU-DGCLKSJQSA-N -1 1 298.350 1.205 20 0 CDADMM O=C(NC1CC(F)(F)C1)c1ccc(-c2nnn[n-]2)s1 ZINC001592965994 1174008452 /nfs/dbraw/zinc/00/84/52/1174008452.db2.gz QVDMCSMAQSSNAJ-UHFFFAOYSA-N -1 1 285.279 1.456 20 0 CDADMM O=C(NC1CC(F)(F)C1)c1ccc(-c2nn[n-]n2)s1 ZINC001592965994 1174008458 /nfs/dbraw/zinc/00/84/58/1174008458.db2.gz QVDMCSMAQSSNAJ-UHFFFAOYSA-N -1 1 285.279 1.456 20 0 CDADMM O=C(NCc1ccc(F)cc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593138100 1174024704 /nfs/dbraw/zinc/02/47/04/1174024704.db2.gz QMKDDADBSCZFSG-UHFFFAOYSA-N -1 1 298.281 1.331 20 0 CDADMM O=C(NCc1ccc(F)cc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593138100 1174024714 /nfs/dbraw/zinc/02/47/14/1174024714.db2.gz QMKDDADBSCZFSG-UHFFFAOYSA-N -1 1 298.281 1.331 20 0 CDADMM O=C(N[C@H]1CCCC[C@H]1F)c1csc(-c2nn[n-]n2)c1 ZINC001593181979 1174032755 /nfs/dbraw/zinc/03/27/55/1174032755.db2.gz FDLOOYAHTAMGED-BDAKNGLRSA-N -1 1 295.343 1.939 20 0 CDADMM O=C(Nc1cccc(CCO)c1)c1coc(-c2nnn[n-]2)c1 ZINC001593244931 1174039168 /nfs/dbraw/zinc/03/91/68/1174039168.db2.gz LKIAVVCVZIKNDF-UHFFFAOYSA-N -1 1 299.290 1.247 20 0 CDADMM O=C(Nc1cccc(CCO)c1)c1coc(-c2nn[n-]n2)c1 ZINC001593244931 1174039175 /nfs/dbraw/zinc/03/91/75/1174039175.db2.gz LKIAVVCVZIKNDF-UHFFFAOYSA-N -1 1 299.290 1.247 20 0 CDADMM O=C(Nc1nccn1C1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593268713 1174045431 /nfs/dbraw/zinc/04/54/31/1174045431.db2.gz ZKOBUZHMZKHDBF-UHFFFAOYSA-N -1 1 296.294 1.045 20 0 CDADMM O=C(Nc1nccn1C1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593268713 1174045439 /nfs/dbraw/zinc/04/54/39/1174045439.db2.gz ZKOBUZHMZKHDBF-UHFFFAOYSA-N -1 1 296.294 1.045 20 0 CDADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)C1(F)CCOCC1 ZINC001593297563 1174057659 /nfs/dbraw/zinc/05/76/59/1174057659.db2.gz LGRUATWPTSCGIU-UHFFFAOYSA-N -1 1 296.258 1.022 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)C1(F)CCOCC1 ZINC001593297563 1174057663 /nfs/dbraw/zinc/05/76/63/1174057663.db2.gz LGRUATWPTSCGIU-UHFFFAOYSA-N -1 1 296.258 1.022 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)C1=CCC1 ZINC001593301639 1174059446 /nfs/dbraw/zinc/05/94/46/1174059446.db2.gz MUCTVNQIWLTULK-UHFFFAOYSA-N -1 1 257.253 1.025 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)C1=CCC1 ZINC001593301639 1174059452 /nfs/dbraw/zinc/05/94/52/1174059452.db2.gz MUCTVNQIWLTULK-UHFFFAOYSA-N -1 1 257.253 1.025 20 0 CDADMM O=C(OCc1cnsc1)c1cccc(-c2nnn[n-]2)n1 ZINC001593305416 1174059660 /nfs/dbraw/zinc/05/96/60/1174059660.db2.gz OMAKVOABLSBBCN-UHFFFAOYSA-N -1 1 288.292 1.075 20 0 CDADMM O=C(OCc1cnsc1)c1cccc(-c2nn[n-]n2)n1 ZINC001593305416 1174059666 /nfs/dbraw/zinc/05/96/66/1174059666.db2.gz OMAKVOABLSBBCN-UHFFFAOYSA-N -1 1 288.292 1.075 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCCCCCC1 ZINC001593348807 1174067486 /nfs/dbraw/zinc/06/74/86/1174067486.db2.gz QHVQXLQKIKXBQF-UHFFFAOYSA-N -1 1 286.339 1.668 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCCCCCC1 ZINC001593348807 1174067491 /nfs/dbraw/zinc/06/74/91/1174067491.db2.gz QHVQXLQKIKXBQF-UHFFFAOYSA-N -1 1 286.339 1.668 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@H](C2CC2)C1 ZINC001593368014 1174071388 /nfs/dbraw/zinc/07/13/88/1174071388.db2.gz QOOOMCJDADYCRX-VIFPVBQESA-N -1 1 273.296 1.332 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@H](C2CC2)C1 ZINC001593368014 1174071393 /nfs/dbraw/zinc/07/13/93/1174071393.db2.gz QOOOMCJDADYCRX-VIFPVBQESA-N -1 1 273.296 1.332 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCCCCC1 ZINC001593366977 1174071868 /nfs/dbraw/zinc/07/18/68/1174071868.db2.gz FLNGIBIRXNSWDN-UHFFFAOYSA-N -1 1 261.285 1.476 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCCCCC1 ZINC001593366977 1174071873 /nfs/dbraw/zinc/07/18/73/1174071873.db2.gz FLNGIBIRXNSWDN-UHFFFAOYSA-N -1 1 261.285 1.476 20 0 CDADMM O=S(=O)(NCC1CCC1)c1ccsc1-c1nn[n-]n1 ZINC001593438333 1174075868 /nfs/dbraw/zinc/07/58/68/1174075868.db2.gz KPGSQQGYKYMTON-UHFFFAOYSA-N -1 1 299.381 1.007 20 0 CDADMM O=Cc1cccc(Oc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001593416537 1174076591 /nfs/dbraw/zinc/07/65/91/1174076591.db2.gz YKECPYUXUCHEPB-UHFFFAOYSA-N -1 1 267.248 1.867 20 0 CDADMM O=Cc1cccc(Oc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001593416537 1174076596 /nfs/dbraw/zinc/07/65/96/1174076596.db2.gz YKECPYUXUCHEPB-UHFFFAOYSA-N -1 1 267.248 1.867 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1CC12CCC(CC1)C2 ZINC001593496784 1174089604 /nfs/dbraw/zinc/08/96/04/1174089604.db2.gz XVSBBKBDSZQGSN-UHFFFAOYSA-N -1 1 271.324 1.609 20 0 CDADMM c1c(N[C@@H]2CC23CCC3)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543643 1174112054 /nfs/dbraw/zinc/11/20/54/1174112054.db2.gz WHWJJYMOOVLGSQ-SNVBAGLBSA-N -1 1 283.339 1.889 20 0 CDADMM c1c(N[C@@H]2CC23CCC3)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543643 1174112061 /nfs/dbraw/zinc/11/20/61/1174112061.db2.gz WHWJJYMOOVLGSQ-SNVBAGLBSA-N -1 1 283.339 1.889 20 0 CDADMM c1c(-c2nnn[n-]2)nc(C2CC2)nc1N1CC[C@@H]2C[C@@H]2C1 ZINC001593544155 1174114747 /nfs/dbraw/zinc/11/47/47/1174114747.db2.gz WRWJJZXAHPEDGN-NXEZZACHSA-N -1 1 283.339 1.380 20 0 CDADMM c1c(-c2nn[n-]n2)nc(C2CC2)nc1N1CC[C@@H]2C[C@@H]2C1 ZINC001593544155 1174114750 /nfs/dbraw/zinc/11/47/50/1174114750.db2.gz WRWJJZXAHPEDGN-NXEZZACHSA-N -1 1 283.339 1.380 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N(C[C@@H]2CCOC2)C2CC2)c1 ZINC001593550492 1174122354 /nfs/dbraw/zinc/12/23/54/1174122354.db2.gz WSLQPBZBXJFXEZ-JTQLQIEISA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N(C[C@@H]2CCOC2)C2CC2)c1 ZINC001593550492 1174122357 /nfs/dbraw/zinc/12/23/57/1174122357.db2.gz WSLQPBZBXJFXEZ-JTQLQIEISA-N -1 1 286.339 1.267 20 0 CDADMM c1cc([C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C2CC2)ccn1 ZINC001593552243 1174126629 /nfs/dbraw/zinc/12/66/29/1174126629.db2.gz RROAUYBHGJGXIM-ZDUSSCGKSA-N -1 1 294.322 1.615 20 0 CDADMM c1cc([C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C2CC2)ccn1 ZINC001593552243 1174126634 /nfs/dbraw/zinc/12/66/34/1174126634.db2.gz RROAUYBHGJGXIM-ZDUSSCGKSA-N -1 1 294.322 1.615 20 0 CDADMM c1cc(CN2OC3CCC2CC3)cc(-c2nnn[n-]2)n1 ZINC001593555898 1174129662 /nfs/dbraw/zinc/12/96/62/1174129662.db2.gz WVXWEZMWORFTNK-UHFFFAOYSA-N -1 1 272.312 1.320 20 0 CDADMM c1cc(CN2OC3CCC2CC3)cc(-c2nn[n-]n2)n1 ZINC001593555898 1174129665 /nfs/dbraw/zinc/12/96/65/1174129665.db2.gz WVXWEZMWORFTNK-UHFFFAOYSA-N -1 1 272.312 1.320 20 0 CDADMM c1cc(NC[C@H]2CCCC23CC3)nc(-c2nn[n-]n2)n1 ZINC001593559029 1174132699 /nfs/dbraw/zinc/13/26/99/1174132699.db2.gz SHZXVIUOFKWMMK-SECBINFHSA-N -1 1 271.328 1.071 20 0 CDADMM c1cc(Oc2ccc3c(c2)CCC3)nc(-c2nn[n-]n2)n1 ZINC001593562308 1174138352 /nfs/dbraw/zinc/13/83/52/1174138352.db2.gz BDTIGBONFZJIIV-UHFFFAOYSA-N -1 1 280.291 1.938 20 0 CDADMM c1c(-c2nn[n-]n2)nnn1C[C@H]1CC[C@H](c2ccccc2)O1 ZINC001593570736 1174142261 /nfs/dbraw/zinc/14/22/61/1174142261.db2.gz IHLXHZXWOVGADC-DGCLKSJQSA-N -1 1 297.322 1.379 20 0 CDADMM c1ccc(NCCCNc2cccnc2-c2nn[n-]n2)nc1 ZINC001593576799 1174145307 /nfs/dbraw/zinc/14/53/07/1174145307.db2.gz KZVFMPCAGQRGOO-UHFFFAOYSA-N -1 1 296.338 1.571 20 0 CDADMM c1cc2c(s1)CCN(c1cccnc1-c1nnn[n-]1)C2 ZINC001593582873 1174148657 /nfs/dbraw/zinc/14/86/57/1174148657.db2.gz CWCXSITZYJFUTN-UHFFFAOYSA-N -1 1 284.348 1.886 20 0 CDADMM c1cc2c(s1)CCN(c1cccnc1-c1nn[n-]n1)C2 ZINC001593582873 1174148662 /nfs/dbraw/zinc/14/86/62/1174148662.db2.gz CWCXSITZYJFUTN-UHFFFAOYSA-N -1 1 284.348 1.886 20 0 CDADMM c1nc(N[C@H]2CC3CCC2CC3)cc(-c2nnn[n-]2)n1 ZINC001593591653 1174159525 /nfs/dbraw/zinc/15/95/25/1174159525.db2.gz SSQRQPAIDPUPMJ-RTBKNWGFSA-N -1 1 271.328 1.647 20 0 CDADMM c1nc(N[C@H]2CC3CCC2CC3)cc(-c2nn[n-]n2)n1 ZINC001593591653 1174159529 /nfs/dbraw/zinc/15/95/29/1174159529.db2.gz SSQRQPAIDPUPMJ-RTBKNWGFSA-N -1 1 271.328 1.647 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC001593594851 1174164383 /nfs/dbraw/zinc/16/43/83/1174164383.db2.gz IPCVAUUXMQGKSQ-XHNCKOQMSA-N -1 1 257.301 1.257 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC001593594851 1174164386 /nfs/dbraw/zinc/16/43/86/1174164386.db2.gz IPCVAUUXMQGKSQ-XHNCKOQMSA-N -1 1 257.301 1.257 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC001593594986 1174164971 /nfs/dbraw/zinc/16/49/71/1174164971.db2.gz KVTHSQFBLOARMI-FXPVBKGRSA-N -1 1 287.327 1.026 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC001593594986 1174164975 /nfs/dbraw/zinc/16/49/75/1174164975.db2.gz KVTHSQFBLOARMI-FXPVBKGRSA-N -1 1 287.327 1.026 20 0 CDADMM Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3C[C@@H](C(=O)[O-])C3)n2)o1 ZINC001600320327 1174442612 /nfs/dbraw/zinc/44/26/12/1174442612.db2.gz USKDYRASPGIDFP-OCAPTIKFSA-N -1 1 290.279 1.422 20 0 CDADMM Cc1cnn(C)c1CN(CCC(=O)[O-])C[C@H]1CCCO1 ZINC001600635653 1174545361 /nfs/dbraw/zinc/54/53/61/1174545361.db2.gz QEZOYHGGSXYZTO-GFCCVEGCSA-N -1 1 281.356 1.184 20 0 CDADMM Cn1c(CN[C@@H](CO)c2ccc(F)cc2)ccc1C(=O)[O-] ZINC001600917132 1174664873 /nfs/dbraw/zinc/66/48/73/1174664873.db2.gz ULEWZIYBSMSKEE-ZDUSSCGKSA-N -1 1 292.310 1.686 20 0 CDADMM COc1ncccc1CNc1ccnc(-c2nnn[n-]2)c1 ZINC000103626566 1174683840 /nfs/dbraw/zinc/68/38/40/1174683840.db2.gz CJOHYIBYETWBMT-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM COc1ncccc1CNc1ccnc(-c2nn[n-]n2)c1 ZINC000103626566 1174683844 /nfs/dbraw/zinc/68/38/44/1174683844.db2.gz CJOHYIBYETWBMT-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM Cn1nccc1[C@@H](CO)NCc1cc(C(=O)[O-])cs1 ZINC001601031783 1174708916 /nfs/dbraw/zinc/70/89/16/1174708916.db2.gz KQCFHYFJFQNXDY-SNVBAGLBSA-N -1 1 281.337 1.003 20 0 CDADMM O=C(/C=C/C1CCCC1)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001601229987 1174800715 /nfs/dbraw/zinc/80/07/15/1174800715.db2.gz LXOJZELMEMVOAU-FYJFLYSWSA-N -1 1 277.324 1.268 20 0 CDADMM O=C([O-])[C@@H](CNC(=O)CCN1CC[C@@H](F)C1)CC1CC1 ZINC001601274406 1174820965 /nfs/dbraw/zinc/82/09/65/1174820965.db2.gz DSPLGSBZBDLTIP-VXGBXAGGSA-N -1 1 286.347 1.037 20 0 CDADMM O=C([O-])C12CCC(C(=O)NCCN3CC=CC3)(CC1)CC2 ZINC001601730406 1174973047 /nfs/dbraw/zinc/97/30/47/1174973047.db2.gz WYOFQBBQXNASIQ-UHFFFAOYSA-N -1 1 292.379 1.400 20 0 CDADMM O=C([O-])CC1(NCc2nnc3n2CCCCC3)CCC1 ZINC001601937885 1175075844 /nfs/dbraw/zinc/07/58/44/1175075844.db2.gz JRIBNSJYVREHHO-UHFFFAOYSA-N -1 1 278.356 1.492 20 0 CDADMM O=C([O-])[C@@H]1OCC[C@@H]1NCc1ccsc1Cl ZINC001602203130 1175162614 /nfs/dbraw/zinc/16/26/14/1175162614.db2.gz SAXKCACHMIDWNG-JGVFFNPUSA-N -1 1 261.730 1.733 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(Cc3cccn3C(F)F)C[C@@H]21 ZINC001602207089 1175165208 /nfs/dbraw/zinc/16/52/08/1175165208.db2.gz QNGNYKXYTYATFV-MYJAWHEDSA-N -1 1 256.252 1.646 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)c2ccn[nH]2)C1 ZINC001602217655 1175172306 /nfs/dbraw/zinc/17/23/06/1175172306.db2.gz MTDGTLJNFNUYKN-NKWVEPMBSA-N -1 1 291.229 1.135 20 0 CDADMM O=C([O-])c1ccc2c(c1)nc(-c1nnc(C3CC3)[nH]1)[nH]c2=O ZINC001602411077 1175233399 /nfs/dbraw/zinc/23/33/99/1175233399.db2.gz SJLUUWFHXHLKJU-UHFFFAOYSA-N -1 1 297.274 1.284 20 0 CDADMM O=C([O-])c1cccc(CN2CCC[C@@H](c3ncccn3)C2)n1 ZINC001602438398 1175241714 /nfs/dbraw/zinc/24/17/14/1175241714.db2.gz OISIJEXRXJWTHD-GFCCVEGCSA-N -1 1 298.346 1.949 20 0 CDADMM O=C([O-])c1ccoc1CSc1nc2n[nH]cc2c(=O)[nH]1 ZINC001602487448 1175259501 /nfs/dbraw/zinc/25/95/01/1175259501.db2.gz OBSOTWTVOHWFPW-UHFFFAOYSA-N -1 1 292.276 1.642 20 0 CDADMM O=C([O-])c1cnoc1CNC1([C@H]2CCCCO2)CCC1 ZINC001602546580 1175285767 /nfs/dbraw/zinc/28/57/67/1175285767.db2.gz TZKMLOCOIJTMOD-GFCCVEGCSA-N -1 1 280.324 1.954 20 0 CDADMM O=C([O-])c1ncn(CN2CCC[C@@H](C3CCC3)CC2)n1 ZINC001602580007 1175306456 /nfs/dbraw/zinc/30/64/56/1175306456.db2.gz BSJNQLFZSQDTBE-GFCCVEGCSA-N -1 1 278.356 1.836 20 0 CDADMM C/C(=C\CN[C@@H](CCO)c1ccccc1F)C(=O)[O-] ZINC001602974512 1175468833 /nfs/dbraw/zinc/46/88/33/1175468833.db2.gz DIZHKYJAYQJPIS-PPOCWRSBSA-N -1 1 267.300 1.870 20 0 CDADMM CC(C)(C)/C=C\C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001603069228 1175483934 /nfs/dbraw/zinc/48/39/34/1175483934.db2.gz SJWCRZUWJCYTDX-PLNGDYQASA-N -1 1 293.352 1.969 20 0 CDADMM CC(C)(C)/C=C\C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001603069228 1175483941 /nfs/dbraw/zinc/48/39/41/1175483941.db2.gz SJWCRZUWJCYTDX-PLNGDYQASA-N -1 1 293.352 1.969 20 0 CDADMM CC(C)(C)C[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001603071813 1175486580 /nfs/dbraw/zinc/48/65/80/1175486580.db2.gz QNNMKDVXQBWUCR-JTQLQIEISA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)(C)C[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001603071813 1175486583 /nfs/dbraw/zinc/48/65/83/1175486583.db2.gz QNNMKDVXQBWUCR-JTQLQIEISA-N -1 1 287.371 1.919 20 0 CDADMM CC(=O)c1ccc(O)c(NC(=O)CCCC(=O)[O-])c1 ZINC001603112716 1175493078 /nfs/dbraw/zinc/49/30/78/1175493078.db2.gz WFJSBNXLNXDGNV-UHFFFAOYSA-N -1 1 265.265 1.788 20 0 CDADMM CC(C)(CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001603151128 1175502616 /nfs/dbraw/zinc/50/26/16/1175502616.db2.gz FUPHUQVDZXSMHS-UHFFFAOYSA-N -1 1 295.350 1.468 20 0 CDADMM CC(C)C(=O)Nc1ccccc1-n1cnc(-c2nn[n-]n2)n1 ZINC001603198087 1175513751 /nfs/dbraw/zinc/51/37/51/1175513751.db2.gz DWXRCKRDFBEFHT-UHFFFAOYSA-N -1 1 298.310 1.042 20 0 CDADMM CC(C)CCC(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001603276820 1175530823 /nfs/dbraw/zinc/53/08/23/1175530823.db2.gz BXZPYWMCFQACLK-UHFFFAOYSA-N -1 1 281.341 1.803 20 0 CDADMM CC(C)CCC(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001603276820 1175530827 /nfs/dbraw/zinc/53/08/27/1175530827.db2.gz BXZPYWMCFQACLK-UHFFFAOYSA-N -1 1 281.341 1.803 20 0 CDADMM CC1(C)C[C@@]1(C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001603765838 1175623096 /nfs/dbraw/zinc/62/30/96/1175623096.db2.gz YWWNNXZMMFOCJH-LBPRGKRZSA-N -1 1 259.317 1.505 20 0 CDADMM CC1(C)C[C@@]1(C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001603765838 1175623103 /nfs/dbraw/zinc/62/31/03/1175623103.db2.gz YWWNNXZMMFOCJH-LBPRGKRZSA-N -1 1 259.317 1.505 20 0 CDADMM CC1(C)CCCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603777894 1175628248 /nfs/dbraw/zinc/62/82/48/1175628248.db2.gz WMSKFJINCHCFLF-UHFFFAOYSA-N -1 1 277.353 1.943 20 0 CDADMM C[C@]12CCN(c3ccnc(-c4nnn[n-]4)c3)C[C@H]1C2(F)F ZINC001603825919 1175645626 /nfs/dbraw/zinc/64/56/26/1175645626.db2.gz OHPWCGUXLMDQAE-PWSUYJOCSA-N -1 1 292.293 1.743 20 0 CDADMM C[C@]12CCN(c3ccnc(-c4nn[n-]n4)c3)C[C@H]1C2(F)F ZINC001603825919 1175645629 /nfs/dbraw/zinc/64/56/29/1175645629.db2.gz OHPWCGUXLMDQAE-PWSUYJOCSA-N -1 1 292.293 1.743 20 0 CDADMM C[C@H]1CC[C@@H](C(=O)OCc2ccc(-c3nnn[n-]3)o2)C1 ZINC001603871967 1175663680 /nfs/dbraw/zinc/66/36/80/1175663680.db2.gz DAESNRATJJQHOZ-DTWKUNHWSA-N -1 1 276.296 1.939 20 0 CDADMM C[C@H]1CC[C@@H](C(=O)OCc2ccc(-c3nn[n-]n3)o2)C1 ZINC001603871967 1175663684 /nfs/dbraw/zinc/66/36/84/1175663684.db2.gz DAESNRATJJQHOZ-DTWKUNHWSA-N -1 1 276.296 1.939 20 0 CDADMM C[C@@H]1CCC[C@@H](Cn2cncc(-c3nn[n-]n3)c2=O)C1 ZINC001603886583 1175670596 /nfs/dbraw/zinc/67/05/96/1175670596.db2.gz MXPBQVBXTLYGEK-NXEZZACHSA-N -1 1 274.328 1.250 20 0 CDADMM C[C@H]1CCCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001603891160 1175672570 /nfs/dbraw/zinc/67/25/70/1175672570.db2.gz PWZQLBNXKHPIDY-JTQLQIEISA-N -1 1 286.339 1.524 20 0 CDADMM C[C@H]1CCCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001603891160 1175672576 /nfs/dbraw/zinc/67/25/76/1175672576.db2.gz PWZQLBNXKHPIDY-JTQLQIEISA-N -1 1 286.339 1.524 20 0 CDADMM C[C@H]1CCC[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001603891587 1175673537 /nfs/dbraw/zinc/67/35/37/1175673537.db2.gz HUEPTUBDUGKKPZ-IUCAKERBSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@H]1CCC[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001603891587 1175673542 /nfs/dbraw/zinc/67/35/42/1175673542.db2.gz HUEPTUBDUGKKPZ-IUCAKERBSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC(C)(C)C1 ZINC001603940911 1175691932 /nfs/dbraw/zinc/69/19/32/1175691932.db2.gz LAMAZMKUCNDHRS-SECBINFHSA-N -1 1 273.344 1.529 20 0 CDADMM C[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC(C)(C)C1 ZINC001603940911 1175691935 /nfs/dbraw/zinc/69/19/35/1175691935.db2.gz LAMAZMKUCNDHRS-SECBINFHSA-N -1 1 273.344 1.529 20 0 CDADMM C[C@@H]1CN(c2cccnc2-c2nnn[n-]2)CC(C)(C)O1 ZINC001603940615 1175692588 /nfs/dbraw/zinc/69/25/88/1175692588.db2.gz IVLWMQYBGYBYSR-SECBINFHSA-N -1 1 274.328 1.265 20 0 CDADMM C[C@@H]1CN(c2cccnc2-c2nn[n-]n2)CC(C)(C)O1 ZINC001603940615 1175692592 /nfs/dbraw/zinc/69/25/92/1175692592.db2.gz IVLWMQYBGYBYSR-SECBINFHSA-N -1 1 274.328 1.265 20 0 CDADMM C[C@@H]1OCC[C@@H]1COC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001603956130 1175696485 /nfs/dbraw/zinc/69/64/85/1175696485.db2.gz UQSJBKQXKNTGCZ-JGVFFNPUSA-N -1 1 294.336 1.510 20 0 CDADMM C[C@@H]1OCC[C@@H]1COC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603956130 1175696488 /nfs/dbraw/zinc/69/64/88/1175696488.db2.gz UQSJBKQXKNTGCZ-JGVFFNPUSA-N -1 1 294.336 1.510 20 0 CDADMM CC[C@@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccccc1 ZINC001603979186 1175704819 /nfs/dbraw/zinc/70/48/19/1175704819.db2.gz ULKFOYLZJGPOOK-SNVBAGLBSA-N -1 1 297.322 1.722 20 0 CDADMM CC[C@@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccccc1 ZINC001603979186 1175704822 /nfs/dbraw/zinc/70/48/22/1175704822.db2.gz ULKFOYLZJGPOOK-SNVBAGLBSA-N -1 1 297.322 1.722 20 0 CDADMM CCC(C)(C)CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001603981748 1175708266 /nfs/dbraw/zinc/70/82/66/1175708266.db2.gz JVKBNFLKPDYUFJ-UHFFFAOYSA-N -1 1 292.343 1.258 20 0 CDADMM CCC(C)(C)CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001603981748 1175708272 /nfs/dbraw/zinc/70/82/72/1175708272.db2.gz JVKBNFLKPDYUFJ-UHFFFAOYSA-N -1 1 292.343 1.258 20 0 CDADMM CC[C@@H](C)[C@](C)(O)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001603996217 1175711376 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HVIRCCNCFUAOTF-AAEUAGOBSA-N -1 1 296.367 1.858 20 0 CDADMM CC[C@@H](F)C(=O)N(C)[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001442728829 965191855 /nfs/dbraw/zinc/19/18/55/965191855.db2.gz SMHVCKKJNIJXLM-VHSXEESVSA-N -1 1 297.330 1.112 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1snnc1C1CC1 ZINC001558988371 965384184 /nfs/dbraw/zinc/38/41/84/965384184.db2.gz NWBYOXAEWIHLPD-UHFFFAOYSA-N -1 1 251.271 1.097 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H](C)c1cnn(C)c1 ZINC001347809285 965708189 /nfs/dbraw/zinc/70/81/89/965708189.db2.gz WDISAZAMXSWHTN-LURJTMIESA-N -1 1 293.352 1.004 20 0 CDADMM CCc1noc([C@H](C)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)n1 ZINC001348423529 965984887 /nfs/dbraw/zinc/98/48/87/965984887.db2.gz UCZKITTVVCINAH-GUBZILKMSA-N -1 1 267.329 1.736 20 0 CDADMM CN(C[C@@]1(O)CCc2ccccc21)C(=O)c1cnncc1[O-] ZINC001550828212 966226326 /nfs/dbraw/zinc/22/63/26/966226326.db2.gz QXGBSVXSHHOLQO-INIZCTEOSA-N -1 1 299.330 1.088 20 0 CDADMM O=C(c1cnncc1[O-])N1CCC[C@@H](OC2CCC2)C1 ZINC001550835102 966228761 /nfs/dbraw/zinc/22/87/61/966228761.db2.gz RPKBHMDRUBQBKR-LLVKDONJSA-N -1 1 277.324 1.356 20 0 CDADMM O=C(c1cnncc1[O-])N1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC001550871653 966244821 /nfs/dbraw/zinc/24/48/21/966244821.db2.gz DRYKCHWEZLBQCG-HIFRSBDPSA-N -1 1 299.330 1.520 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(Cc3cn(-c4ccccc4)nn3)CC[C@@H]21 ZINC001550909819 966266937 /nfs/dbraw/zinc/26/69/37/966266937.db2.gz CAOZFCHTKGWEEL-RRFJBIMHSA-N -1 1 298.346 1.420 20 0 CDADMM C/C(=C(/F)C(=O)N1CC[C@@H](c2nn[n-]n2)C1)C1CC1 ZINC001350222296 966609084 /nfs/dbraw/zinc/60/90/84/966609084.db2.gz CYQYYNJOWAQDLL-SBMLRHLQSA-N -1 1 265.292 1.169 20 0 CDADMM C[C@@H](O)[C@H](NCc1csc2ccccc12)C(=O)[O-] ZINC001350661462 966729743 /nfs/dbraw/zinc/72/97/43/966729743.db2.gz GJWNSMAMKSLPQX-PELKAZGASA-N -1 1 265.334 1.825 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CC(C(F)F)C1 ZINC001351656556 966968929 /nfs/dbraw/zinc/96/89/29/966968929.db2.gz JXAFGIYYEXCERE-UHFFFAOYSA-N -1 1 275.280 1.116 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CC[C@H](C2CC2)C1 ZINC001351709760 966981427 /nfs/dbraw/zinc/98/14/27/966981427.db2.gz UGIWMMITHBPKLX-VIFPVBQESA-N -1 1 279.365 1.651 20 0 CDADMM O=C(Nc1cnn(C(F)F)c1)c1ccc([O-])cn1 ZINC001542591531 967238281 /nfs/dbraw/zinc/23/82/81/967238281.db2.gz COSBJFXYOYGOAT-UHFFFAOYSA-N -1 1 254.196 1.631 20 0 CDADMM O=C(Nc1ccccc1Cn1cncn1)c1ccc([O-])cn1 ZINC001543426342 967298871 /nfs/dbraw/zinc/29/88/71/967298871.db2.gz PNXWSPZOBQLLDO-UHFFFAOYSA-N -1 1 295.302 1.679 20 0 CDADMM O=C(c1ccc2c(c1)CCCC2)N1CC[C@H](c2nn[n-]n2)C1 ZINC001548499169 967518209 /nfs/dbraw/zinc/51/82/09/967518209.db2.gz GHMSEYGXTCMUBJ-AWEZNQCLSA-N -1 1 297.362 1.708 20 0 CDADMM O=C(N[C@@H](CO)c1ccccn1)c1ccc(Cl)cc1[O-] ZINC001450211336 967656221 /nfs/dbraw/zinc/65/62/21/967656221.db2.gz NJZNRCZBHVSQOP-LBPRGKRZSA-N -1 1 292.722 1.904 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)CC(C)(C)CO ZINC001450395223 967709850 /nfs/dbraw/zinc/70/98/50/967709850.db2.gz LPFUVJSRQOWABP-UHFFFAOYSA-N -1 1 295.383 1.705 20 0 CDADMM Cc1ccccc1C[C@@H](C)C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001548761558 967835046 /nfs/dbraw/zinc/83/50/46/967835046.db2.gz DXZMWJIUJHKQES-OCCSQVGLSA-N -1 1 299.378 1.703 20 0 CDADMM CC(=O)c1cccc(C(=O)N2CC[C@H](c3nn[n-]n3)C2)c1 ZINC001548763527 967844205 /nfs/dbraw/zinc/84/42/05/967844205.db2.gz IBDPAFVTTOQFQG-LBPRGKRZSA-N -1 1 285.307 1.032 20 0 CDADMM Cc1cccc(F)c1C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001548765359 967847642 /nfs/dbraw/zinc/84/76/42/967847642.db2.gz SLJSRULXGLOBSK-VIFPVBQESA-N -1 1 275.287 1.277 20 0 CDADMM O=C([O-])[C@@H](C1CC1)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001549924013 968412680 /nfs/dbraw/zinc/41/26/80/968412680.db2.gz SUVMDTOKPQULEG-BFHYXJOUSA-N -1 1 289.331 1.650 20 0 CDADMM CC[C@H](C)C(=O)NCC1CN(C(=O)c2ncccc2[O-])C1 ZINC001416071673 968714476 /nfs/dbraw/zinc/71/44/76/968714476.db2.gz OEQUMHQKUUKABE-JTQLQIEISA-N -1 1 291.351 1.022 20 0 CDADMM CCC1(C)CN(C(=O)c2c(C)[nH]c(=O)[n-]c2=S)C1 ZINC001528433204 968850915 /nfs/dbraw/zinc/85/09/15/968850915.db2.gz FJRVVKFMUADGME-UHFFFAOYSA-N -1 1 267.354 1.651 20 0 CDADMM O=C(c1cc(Cl)ncc1F)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001528711654 968906494 /nfs/dbraw/zinc/90/64/94/968906494.db2.gz DQAKQVFSJNSIJD-ZCFIWIBFSA-N -1 1 296.693 1.017 20 0 CDADMM O=C(c1ccc2ccncc2c1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001528711359 968907358 /nfs/dbraw/zinc/90/73/58/968907358.db2.gz COXNPTXPUNUFOP-GFCCVEGCSA-N -1 1 294.318 1.378 20 0 CDADMM COC(=O)c1cccc2c1CCN2C(=O)c1ccc([O-])cn1 ZINC001456287115 968925938 /nfs/dbraw/zinc/92/59/38/968925938.db2.gz BPZAMOMZKRFVPA-UHFFFAOYSA-N -1 1 298.298 1.777 20 0 CDADMM CC(C)S(=O)(=O)CCCN1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000696810962 968963030 /nfs/dbraw/zinc/96/30/30/968963030.db2.gz JIZCPFIBZHFFRQ-VXGBXAGGSA-N -1 1 291.413 1.242 20 0 CDADMM O=S(=O)([N-][C@@H]1CCCC(F)(F)[C@H]1O)c1ccco1 ZINC001463865653 969754824 /nfs/dbraw/zinc/75/48/24/969754824.db2.gz MWOVZAZNFHDGCT-APPZFPTMSA-N -1 1 281.280 1.107 20 0 CDADMM COc1ncccc1CNC(=O)c1ccc([O-])cn1 ZINC001464013834 969765272 /nfs/dbraw/zinc/76/52/72/969765272.db2.gz SCGLHRVEDAOMJV-UHFFFAOYSA-N -1 1 259.265 1.121 20 0 CDADMM CN(C)c1nccc(CNC(=O)c2ccc(F)c([O-])c2)n1 ZINC001466422859 969952617 /nfs/dbraw/zinc/95/26/17/969952617.db2.gz BUUULCLNIDCTJU-UHFFFAOYSA-N -1 1 290.298 1.317 20 0 CDADMM COc1cc(C2(C(=O)N(C)c3nn[n-]n3)CC2)ccc1C ZINC001361434940 970199646 /nfs/dbraw/zinc/19/96/46/970199646.db2.gz BQAXRCDCCLXPTN-UHFFFAOYSA-N -1 1 287.323 1.211 20 0 CDADMM CN(C(=O)c1ccc(C(F)F)cc1F)c1nn[n-]n1 ZINC001361554529 970286262 /nfs/dbraw/zinc/28/62/62/970286262.db2.gz JITAZRMLQUHGFE-UHFFFAOYSA-N -1 1 271.202 1.553 20 0 CDADMM CN1CCCC[C@H]1CNC(=O)c1ccoc1CC(=O)[O-] ZINC000312176722 970322152 /nfs/dbraw/zinc/32/21/52/970322152.db2.gz PPPMKUPUHZFHIT-JTQLQIEISA-N -1 1 280.324 1.121 20 0 CDADMM C[C@H](C(=O)[O-])C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC001609701324 970473418 /nfs/dbraw/zinc/47/34/18/970473418.db2.gz ZUSZNOOBQLDJKS-VIFPVBQESA-N -1 1 282.315 1.224 20 0 CDADMM Cc1noc([C@H](C)NC(=O)c2cnc(C3CC3)[n-]c2=O)n1 ZINC001361863475 970618841 /nfs/dbraw/zinc/61/88/41/970618841.db2.gz NRSRJGBFZAQGLA-LURJTMIESA-N -1 1 289.295 1.242 20 0 CDADMM Cc1cccnc1[C@@H](C)NC(=O)c1ccc([O-])cn1 ZINC001472345601 970626530 /nfs/dbraw/zinc/62/65/30/970626530.db2.gz PETWVBFFPIZDPO-SNVBAGLBSA-N -1 1 257.293 1.982 20 0 CDADMM Cn1cc(C(C)(C)NC(=O)c2ccc([O-])cc2F)cn1 ZINC001361988833 970747647 /nfs/dbraw/zinc/74/76/47/970747647.db2.gz YTMKKKMAQYRJFR-UHFFFAOYSA-N -1 1 277.299 1.930 20 0 CDADMM CN(CCC(=O)[O-])Cc1ccnn1-c1ccc(F)cc1 ZINC001604150924 972559551 /nfs/dbraw/zinc/55/95/51/972559551.db2.gz RPJHTLCPANJEFN-UHFFFAOYSA-N -1 1 277.299 1.918 20 0 CDADMM O=C([O-])C1(C(=O)Nc2c[nH]nn2)CCCCCC1 ZINC001605934486 972865848 /nfs/dbraw/zinc/86/58/48/972865848.db2.gz KZQUVRDBSVXSCF-UHFFFAOYSA-N -1 1 252.274 1.168 20 0 CDADMM C[C@H]1CC(CCN2CCN(C(=O)C(=O)[O-])CC2)C[C@H](C)C1 ZINC001603376325 972938809 /nfs/dbraw/zinc/93/88/09/972938809.db2.gz WXYVGJIHVDRHPZ-CHWSQXEVSA-N -1 1 296.411 1.678 20 0 CDADMM CC(C)CCC(=O)NC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001372760526 973122790 /nfs/dbraw/zinc/12/27/90/973122790.db2.gz NWRIPZVBBRHPNZ-NSHDSACASA-N -1 1 293.367 1.458 20 0 CDADMM Cc1c(NC(=O)NCc2c[nH]nn2)cccc1C(=O)[O-] ZINC000398429739 973140279 /nfs/dbraw/zinc/14/02/79/973140279.db2.gz ZPEDKCLCQNNROU-UHFFFAOYSA-N -1 1 275.268 1.133 20 0 CDADMM C[C@@H]1CCN(CN2C[C@H](C3CC3)CC2=O)C[C@H]1C(=O)[O-] ZINC001603429852 973169363 /nfs/dbraw/zinc/16/93/63/973169363.db2.gz HLFLFKAXUJIYBL-RAIGVLPGSA-N -1 1 280.368 1.245 20 0 CDADMM C[C@@H]1CCN(CN2CCSC2=O)C[C@H]1C(=O)[O-] ZINC001603430239 973174206 /nfs/dbraw/zinc/17/42/06/973174206.db2.gz OALQUYSOIIYUCE-RKDXNWHRSA-N -1 1 258.343 1.155 20 0 CDADMM COc1c(C)cnc(CN2CC(C)(C(=O)[O-])C2)c1C ZINC000399162602 973196759 /nfs/dbraw/zinc/19/67/59/973196759.db2.gz AHYVGQQLAAHKHD-UHFFFAOYSA-N -1 1 264.325 1.614 20 0 CDADMM Cc1ccccc1OCc1nc([C@@H](N)CC(=O)[O-])no1 ZINC001605356860 973274544 /nfs/dbraw/zinc/27/45/44/973274544.db2.gz LCRFRSQTVMOZQX-VIFPVBQESA-N -1 1 277.280 1.432 20 0 CDADMM Cc1cccnc1/C=C\c1nc([C@@H](N)CC(=O)[O-])no1 ZINC001605360016 973287863 /nfs/dbraw/zinc/28/78/63/973287863.db2.gz IGGDLDLRRXOVBG-WBSSQXGSSA-N -1 1 274.280 1.418 20 0 CDADMM C[C@@H]1CN(Cc2[nH]nc3c2COCC3)CC[C@@H]1C(=O)[O-] ZINC001603464532 973329948 /nfs/dbraw/zinc/32/99/48/973329948.db2.gz WZLQUMIIKYCEPW-ZJUUUORDSA-N -1 1 279.340 1.025 20 0 CDADMM Cc1nc([C@H](C)NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)n[nH]1 ZINC001605441057 973499140 /nfs/dbraw/zinc/49/91/40/973499140.db2.gz NMRODPLCOWKGIW-ZETCQYMHSA-N -1 1 294.355 1.427 20 0 CDADMM O=C([O-])CSCC(=O)Nc1ccc(F)c(F)c1O ZINC001606302090 973712618 /nfs/dbraw/zinc/71/26/18/973712618.db2.gz MQWXEPFMKAEOLM-UHFFFAOYSA-N -1 1 277.248 1.427 20 0 CDADMM Cc1cccnc1CCNCc1ncc(C(=O)[O-])s1 ZINC000404733195 973746415 /nfs/dbraw/zinc/74/64/15/973746415.db2.gz SDSOILNXASHGFU-UHFFFAOYSA-N -1 1 277.349 1.877 20 0 CDADMM N[C@H](C(=O)NC[C@@H](CC1CC1)C(=O)[O-])c1ccccc1 ZINC000405355632 973843639 /nfs/dbraw/zinc/84/36/39/973843639.db2.gz 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/nfs/dbraw/zinc/88/01/41/412880141.db2.gz QJDAGXKSGFDGIT-LBPRGKRZSA-N -1 1 273.340 1.221 20 0 CDADMM CO[C@@H](C)CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632699738 377760973 /nfs/dbraw/zinc/76/09/73/377760973.db2.gz AZOUBLSIPNVYHQ-QMMMGPOBSA-N -1 1 257.717 1.739 20 0 CDADMM O=S(=O)([N-][C@H]1CCC[C@@H]1O)c1cc2cc(F)ccc2o1 ZINC000632700516 377762335 /nfs/dbraw/zinc/76/23/35/377762335.db2.gz XRAKJSJQOWQHFT-QWRGUYRKSA-N -1 1 299.323 1.764 20 0 CDADMM CC[C@H](C[C@@H](C)CO)NC(=O)c1ncccc1[O-] ZINC000345053025 377797028 /nfs/dbraw/zinc/79/70/28/377797028.db2.gz YNFMWGUIKVLSSZ-NXEZZACHSA-N -1 1 252.314 1.314 20 0 CDADMM CN(CCOCCO)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632889634 377962023 /nfs/dbraw/zinc/96/20/23/377962023.db2.gz DHUHWADYTDLORE-UHFFFAOYSA-N -1 1 287.743 1.055 20 0 CDADMM C[C@@H]1C[C@H](O)CN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000633364674 378368780 /nfs/dbraw/zinc/36/87/80/378368780.db2.gz GHEZUMCWLXORPI-KOLCDFICSA-N -1 1 283.755 1.817 20 0 CDADMM CCc1cc(=O)[n-]c(SCc2nnc(C(C)C)n2C)n1 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ZINC000444404708 250134072 /nfs/dbraw/zinc/13/40/72/250134072.db2.gz NYBDUTKUXZVQDL-UHFFFAOYSA-N -1 1 280.265 1.027 20 0 CDADMM CC(C)C[C@H](C)OCCC(=O)NC(C)(C)c1nn[n-]n1 ZINC000446310289 250285027 /nfs/dbraw/zinc/28/50/27/250285027.db2.gz KWNOGYFRIVNOGZ-JTQLQIEISA-N -1 1 283.376 1.392 20 0 CDADMM Cc1cc(CNC(=O)c2c(F)ccc([O-])c2F)[nH]n1 ZINC000685435394 483125296 /nfs/dbraw/zinc/12/52/96/483125296.db2.gz QFVHCSSKSOWWRO-UHFFFAOYSA-N -1 1 267.235 1.632 20 0 CDADMM Cn1ccc(S(=O)(=O)[N-]CC(C)(C)CC(F)(F)F)n1 ZINC000660200673 412915076 /nfs/dbraw/zinc/91/50/76/412915076.db2.gz SRNPNZCTYCLICX-UHFFFAOYSA-N -1 1 299.318 1.677 20 0 CDADMM CCC[C@H](NC(=O)[C@@H](C)Oc1ccccn1)c1nn[n-]n1 ZINC000450123322 251141053 /nfs/dbraw/zinc/14/10/53/251141053.db2.gz WOVSZUJDQCCDAI-ZJUUUORDSA-N -1 1 290.327 1.020 20 0 CDADMM C[C@H](CCCCO)[N-]S(=O)(=O)c1sccc1F ZINC000451723021 251820024 /nfs/dbraw/zinc/82/00/24/251820024.db2.gz WNKZCMAJMUSHMK-MRVPVSSYSA-N -1 1 281.374 1.717 20 0 CDADMM CO[C@H](CNC(=O)C(=O)c1ccc([O-])cc1)C(C)(C)C ZINC000280974263 195053107 /nfs/dbraw/zinc/05/31/07/195053107.db2.gz ORPKKRZNWLDQCQ-GFCCVEGCSA-N -1 1 279.336 1.752 20 0 CDADMM CCC[C@H](NC(=O)c1ncc(C)cc1OC)c1nn[n-]n1 ZINC000490023874 253024148 /nfs/dbraw/zinc/02/41/48/253024148.db2.gz VXOCRTYAVVHSBM-VIFPVBQESA-N -1 1 290.327 1.183 20 0 CDADMM O=S(=O)([N-]CCF)c1cc2cc(F)ccc2o1 ZINC001663111347 1172637208 /nfs/dbraw/zinc/63/72/08/1172637208.db2.gz NWXMVYWQWOAPED-UHFFFAOYSA-N -1 1 261.249 1.820 20 0 CDADMM COCCC1(CNC(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000281131391 195117588 /nfs/dbraw/zinc/11/75/88/195117588.db2.gz YIWRWWYWHKPRGR-UHFFFAOYSA-N -1 1 277.320 1.508 20 0 CDADMM O=C(C=Cc1ccc[nH]1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000492933900 253329279 /nfs/dbraw/zinc/32/92/79/253329279.db2.gz ZDOWVDZWEBVYTE-PORFMDCZSA-N -1 1 288.307 1.523 20 0 CDADMM CC[C@](C)(NC(=O)c1n[nH]c2ccccc21)C(=O)[O-] ZINC000094219902 184765057 /nfs/dbraw/zinc/76/50/57/184765057.db2.gz ZPQYYZQQFPJXSZ-ZDUSSCGKSA-N -1 1 261.281 1.546 20 0 CDADMM CC[C@](C)(OC)C(=O)/N=c1\ccnc2n(C)[n-]cc1-2 ZINC000283001806 195766949 /nfs/dbraw/zinc/76/69/49/195766949.db2.gz CWXSQGQTLMXLGA-RKPNYOAGSA-N -1 1 262.313 1.095 20 0 CDADMM CO[C@@H](CS(=O)(=O)N=c1cc2ccccn2[n-]1)C(C)C ZINC000647275754 390909706 /nfs/dbraw/zinc/90/97/06/390909706.db2.gz DJSSLIOOEJCCJU-LBPRGKRZSA-N -1 1 297.380 1.169 20 0 CDADMM Cc1cccc2nc(CNC(=O)c3ncccc3[O-])n(C)c21 ZINC000158484102 390932931 /nfs/dbraw/zinc/93/29/31/390932931.db2.gz XJGADXBZTPDDQP-UHFFFAOYSA-N -1 1 296.330 1.912 20 0 CDADMM O=C(CCCC1CC1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000643234586 390995641 /nfs/dbraw/zinc/99/56/41/390995641.db2.gz DXEFZTSYKXKHBX-LLVKDONJSA-N -1 1 263.345 1.486 20 0 CDADMM CO[C@@H]1CN(C(=O)c2c(F)ccc([O-])c2F)CCO1 ZINC000647617979 391046174 /nfs/dbraw/zinc/04/61/74/391046174.db2.gz CGZCZQRZEDHNTB-VIFPVBQESA-N -1 1 273.235 1.115 20 0 CDADMM CC(C)CC[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000647889925 391161396 /nfs/dbraw/zinc/16/13/96/391161396.db2.gz YKAIISOSKLZXFR-UHFFFAOYSA-N -1 1 285.291 1.753 20 0 CDADMM CCOC(=O)c1cnc(NC(=O)[C@@H]2CCC[C@H](OC)C2)[n-]1 ZINC000415649654 391188552 /nfs/dbraw/zinc/18/85/52/391188552.db2.gz QPNJVDRABAICLP-ZJUUUORDSA-N -1 1 295.339 1.730 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2CCC[C@H](OC)C2)n1 ZINC000415649654 391188556 /nfs/dbraw/zinc/18/85/56/391188556.db2.gz QPNJVDRABAICLP-ZJUUUORDSA-N -1 1 295.339 1.730 20 0 CDADMM CC1(C)CCC[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC000526944921 391233830 /nfs/dbraw/zinc/23/38/30/391233830.db2.gz LJFYZGPQPBKHBN-SECBINFHSA-N -1 1 289.339 1.116 20 0 CDADMM CCn1cc([N-]S(=O)(=O)[C@@H]2CCCC[C@@H]2OC)cn1 ZINC000647921565 391311404 /nfs/dbraw/zinc/31/14/04/391311404.db2.gz LBOJDHUBMIWAPP-NWDGAFQWSA-N -1 1 287.385 1.602 20 0 CDADMM CO[C@H]1CCN(C(=O)c2ncccc2[O-])[C@H](C)C1 ZINC000281832073 391408170 /nfs/dbraw/zinc/40/81/70/391408170.db2.gz SERUKFBXJHUUAI-ZJUUUORDSA-N -1 1 250.298 1.427 20 0 CDADMM CO[C@H](C)C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000525950637 391455112 /nfs/dbraw/zinc/45/51/12/391455112.db2.gz PEGHYYAQEPIDLK-SECBINFHSA-N -1 1 269.322 1.746 20 0 CDADMM Cn1cc(C[C@H]2CCN(C(=O)c3cncc([O-])c3)C2)cn1 ZINC000531319076 391471742 /nfs/dbraw/zinc/47/17/42/391471742.db2.gz JTIVKLUNHLKTIS-LLVKDONJSA-N -1 1 286.335 1.226 20 0 CDADMM O=C(Nc1ccncc1[O-])c1cnn(-c2ccccc2F)c1 ZINC000531359984 391482914 /nfs/dbraw/zinc/48/29/14/391482914.db2.gz CZRYOKVHVSLPNG-UHFFFAOYSA-N -1 1 298.277 1.786 20 0 CDADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CCCO)c(F)c1 ZINC000425165625 391616761 /nfs/dbraw/zinc/61/67/61/391616761.db2.gz GZGGMGXIAYGIDH-VIFPVBQESA-N -1 1 293.335 1.713 20 0 CDADMM Cc1nnc2ccc(C(=O)Nc3c(C)[n-][nH]c3=O)cn12 ZINC000647815967 391804875 /nfs/dbraw/zinc/80/48/75/391804875.db2.gz SSXRHQCBHMRZOS-UHFFFAOYSA-N -1 1 272.268 1.027 20 0 CDADMM C[C@@]1(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)CC=CCC1 ZINC000515771633 391792318 /nfs/dbraw/zinc/79/23/18/391792318.db2.gz DJHFJFDCQCTTSG-BXUZGUMPSA-N -1 1 275.356 1.652 20 0 CDADMM CC(=O)c1[n-]c(=N[C@H](CO)CC2CC2)sc1C ZINC000649311229 391980728 /nfs/dbraw/zinc/98/07/28/391980728.db2.gz SBCSOKINNPVNOZ-JTQLQIEISA-N -1 1 254.355 1.649 20 0 CDADMM COC1([C@@H](C)NC(=O)c2ncccc2[O-])CCOCC1 ZINC000422079865 392203479 /nfs/dbraw/zinc/20/34/79/392203479.db2.gz OCMWJPAGHYLFEM-SNVBAGLBSA-N -1 1 280.324 1.101 20 0 CDADMM Cc1cnc(SC[C@@H]2CN(C)C(=O)O2)[n-]c1=O ZINC000496733904 392243816 /nfs/dbraw/zinc/24/38/16/392243816.db2.gz LHMJQBAMKVUHPX-ZETCQYMHSA-N -1 1 255.299 1.033 20 0 CDADMM O=C(c1ncccc1[O-])N1CCC[C@@H](CCO)CC1 ZINC000422069867 392211215 /nfs/dbraw/zinc/21/12/15/392211215.db2.gz IPGHLEAFXWNDOY-LLVKDONJSA-N -1 1 264.325 1.412 20 0 CDADMM O=C([O-])CSCCNC(=O)Cc1[nH]nc2ccccc21 ZINC000238053287 131074878 /nfs/dbraw/zinc/07/48/78/131074878.db2.gz QFPILARROUWDGE-UHFFFAOYSA-N -1 1 293.348 1.039 20 0 CDADMM CCc1cc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)n[nH]1 ZINC000262501913 131226800 /nfs/dbraw/zinc/22/68/00/131226800.db2.gz YRVMGEMFNDQGLK-JTQLQIEISA-N -1 1 277.324 1.299 20 0 CDADMM CCN(Cc1cccc(F)c1)C(=O)CN(C)CCC(=O)[O-] ZINC000262629033 131243636 /nfs/dbraw/zinc/24/36/36/131243636.db2.gz GQNNNISARIFGGT-UHFFFAOYSA-N -1 1 296.342 1.581 20 0 CDADMM CCOc1nc(C)ccc1C(=O)Nc1c(C)[n-][nH]c1=O ZINC000646410559 392421584 /nfs/dbraw/zinc/42/15/84/392421584.db2.gz MTUOURRNGQEYOP-UHFFFAOYSA-N -1 1 276.296 1.778 20 0 CDADMM CCN(CC)S(=O)(=O)[N-]c1ccn([C@H](C)COC)n1 ZINC000489042634 392457641 /nfs/dbraw/zinc/45/76/41/392457641.db2.gz PDURPADDVFOQDE-SNVBAGLBSA-N -1 1 290.389 1.089 20 0 CDADMM CC(C)(C)c1nc(=NC(=O)c2ccc(CN)o2)s[n-]1 ZINC000645908912 392730084 /nfs/dbraw/zinc/73/00/84/392730084.db2.gz UWCKXPNYHWSACI-UHFFFAOYSA-N -1 1 280.353 1.562 20 0 CDADMM COC(=O)[C@@](C)(NC(=O)C(=O)c1ccc([O-])cc1)C1CC1 ZINC000540531335 392775901 /nfs/dbraw/zinc/77/59/01/392775901.db2.gz VKTZJPUNGACBCT-HNNXBMFYSA-N -1 1 291.303 1.033 20 0 CDADMM CCC[C@@H](NC(=O)C=Cc1ccncc1C)c1nn[n-]n1 ZINC000493777847 392795821 /nfs/dbraw/zinc/79/58/21/392795821.db2.gz AXTIWXWMAKISPB-BTDICHCPSA-N -1 1 286.339 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Cc1ccc(CCNc2cccc(-c3nn[n-]n3)n2)cn1 ZINC000822235894 606218777 /nfs/dbraw/zinc/21/87/77/606218777.db2.gz BCLKOVFEMYOKMS-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM O=C(NCc1nccs1)c1ccc(-c2nnn[n-]2)s1 ZINC000823270078 606527147 /nfs/dbraw/zinc/52/71/47/606527147.db2.gz XUVJSOBIXKSDNA-UHFFFAOYSA-N -1 1 292.349 1.315 20 0 CDADMM O=C(NCc1nccs1)c1ccc(-c2nn[n-]n2)s1 ZINC000823270078 606527149 /nfs/dbraw/zinc/52/71/49/606527149.db2.gz XUVJSOBIXKSDNA-UHFFFAOYSA-N -1 1 292.349 1.315 20 0 CDADMM CO[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821679506 606548971 /nfs/dbraw/zinc/54/89/71/606548971.db2.gz AARCNNAWDXHXGT-QMMMGPOBSA-N -1 1 293.352 1.179 20 0 CDADMM CO[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821679506 606548973 /nfs/dbraw/zinc/54/89/73/606548973.db2.gz AARCNNAWDXHXGT-QMMMGPOBSA-N -1 1 293.352 1.179 20 0 CDADMM C[C@@H]1C[C@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820650194 606569549 /nfs/dbraw/zinc/56/95/49/606569549.db2.gz RLBKMTRABIMUCZ-SFYZADRCSA-N -1 1 277.353 1.799 20 0 CDADMM C[C@@H]1C[C@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820650194 606569551 /nfs/dbraw/zinc/56/95/51/606569551.db2.gz RLBKMTRABIMUCZ-SFYZADRCSA-N -1 1 277.353 1.799 20 0 CDADMM CC[C@@H](CCO)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820902304 606724687 /nfs/dbraw/zinc/72/46/87/606724687.db2.gz JJFULDINWSLDSU-QMMMGPOBSA-N -1 1 296.762 1.736 20 0 CDADMM CC[C@@H](CCO)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820902304 606724689 /nfs/dbraw/zinc/72/46/89/606724689.db2.gz JJFULDINWSLDSU-QMMMGPOBSA-N -1 1 296.762 1.736 20 0 CDADMM c1cc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)nc(-c2nnn[n-]2)c1 ZINC000823756954 606729948 /nfs/dbraw/zinc/72/99/48/606729948.db2.gz HYHUETWPNDHQGF-CKYFFXLPSA-N -1 1 286.339 1.631 20 0 CDADMM c1cc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)nc(-c2nn[n-]n2)c1 ZINC000823756954 606729949 /nfs/dbraw/zinc/72/99/49/606729949.db2.gz HYHUETWPNDHQGF-CKYFFXLPSA-N -1 1 286.339 1.631 20 0 CDADMM CC(C)CC1(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC000820062843 606801191 /nfs/dbraw/zinc/80/11/91/606801191.db2.gz PPHMPEDDNRFDCO-UHFFFAOYSA-N -1 1 273.344 1.895 20 0 CDADMM CC(C)CC1(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC000820062843 606801193 /nfs/dbraw/zinc/80/11/93/606801193.db2.gz PPHMPEDDNRFDCO-UHFFFAOYSA-N -1 1 273.344 1.895 20 0 CDADMM c1cc(-c2nn[n-]n2)sc1CNc1cccnc1 ZINC000823816832 606859403 /nfs/dbraw/zinc/85/94/03/606859403.db2.gz ZVLRZQVFFMOERV-UHFFFAOYSA-N -1 1 258.310 1.935 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CC12CCC2 ZINC000823290140 607143019 /nfs/dbraw/zinc/14/30/19/607143019.db2.gz UBTXTSIYEVPJPV-VIFPVBQESA-N -1 1 285.307 1.701 20 0 CDADMM Cc1nc(CCNc2ccc(-c3nnn[n-]3)nn2)cs1 ZINC000826325620 607988548 /nfs/dbraw/zinc/98/85/48/607988548.db2.gz FPBULBXXDYYGDY-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM Cc1nc(CCNc2ccc(-c3nn[n-]n3)nn2)cs1 ZINC000826325620 607988549 /nfs/dbraw/zinc/98/85/49/607988549.db2.gz FPBULBXXDYYGDY-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM CCOc1ccc(C(=O)Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000825632381 608012839 /nfs/dbraw/zinc/01/28/39/608012839.db2.gz PWXJPPKTSINGPZ-UHFFFAOYSA-N -1 1 298.306 1.345 20 0 CDADMM CCOc1ccc(C(=O)Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000825632381 608012840 /nfs/dbraw/zinc/01/28/40/608012840.db2.gz PWXJPPKTSINGPZ-UHFFFAOYSA-N -1 1 298.306 1.345 20 0 CDADMM CN(Cc1ccon1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825985820 608185737 /nfs/dbraw/zinc/18/57/37/608185737.db2.gz BQYBUVKDTBSBLQ-UHFFFAOYSA-N -1 1 297.731 1.601 20 0 CDADMM Cc1nonc1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000826340150 608186127 /nfs/dbraw/zinc/18/61/27/608186127.db2.gz JVRHKFNSONKWQJ-UHFFFAOYSA-N -1 1 298.719 1.280 20 0 CDADMM Cc1nonc1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000826340150 608186125 /nfs/dbraw/zinc/18/61/25/608186125.db2.gz JVRHKFNSONKWQJ-UHFFFAOYSA-N -1 1 298.719 1.280 20 0 CDADMM c1cc(N2CCC[C@H]2C2CC2)nnc1-c1nnn[n-]1 ZINC000826517024 608412385 /nfs/dbraw/zinc/41/23/85/608412385.db2.gz MNPJPKHNQCNUBG-JTQLQIEISA-N -1 1 257.301 1.036 20 0 CDADMM c1cc(N2CCC[C@H]2C2CC2)nnc1-c1nn[n-]n1 ZINC000826517024 608412386 /nfs/dbraw/zinc/41/23/86/608412386.db2.gz MNPJPKHNQCNUBG-JTQLQIEISA-N -1 1 257.301 1.036 20 0 CDADMM CCN(Cc1ccccc1C)c1ccc(-c2nnn[n-]2)nn1 ZINC000825439860 608433890 /nfs/dbraw/zinc/43/38/90/608433890.db2.gz QWIXWPUJFLYTRO-UHFFFAOYSA-N -1 1 295.350 1.992 20 0 CDADMM CCN(Cc1ccccc1C)c1ccc(-c2nn[n-]n2)nn1 ZINC000825439860 608433892 /nfs/dbraw/zinc/43/38/92/608433892.db2.gz QWIXWPUJFLYTRO-UHFFFAOYSA-N -1 1 295.350 1.992 20 0 CDADMM COc1ccc(CNc2nc(-c3nn[n-]n3)ccc2C)cn1 ZINC000826204666 608542400 /nfs/dbraw/zinc/54/24/00/608542400.db2.gz UXNOZGDQPMFQSC-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM CCc1cnccc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000825739146 609433112 /nfs/dbraw/zinc/43/31/12/609433112.db2.gz AKYCHRHINGYMTN-UHFFFAOYSA-N -1 1 282.311 1.226 20 0 CDADMM CCc1cnccc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000825739146 609433114 /nfs/dbraw/zinc/43/31/14/609433114.db2.gz AKYCHRHINGYMTN-UHFFFAOYSA-N -1 1 282.311 1.226 20 0 CDADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CC[C@H](O)[C@H](F)C1 ZINC000890683899 617268360 /nfs/dbraw/zinc/26/83/60/617268360.db2.gz YCXBOYSTMXWCTL-PWSUYJOCSA-N -1 1 287.718 1.519 20 0 CDADMM COc1ccc(C(=O)NOC/C=C/Cl)c([O-])c1 ZINC000812409429 617317253 /nfs/dbraw/zinc/31/72/53/617317253.db2.gz ZMEUXDDIFSHLDK-GORDUTHDSA-N -1 1 257.673 1.815 20 0 CDADMM CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000937863932 614333079 /nfs/dbraw/zinc/33/30/79/614333079.db2.gz KZMFYFVBGSQSGT-JTQLQIEISA-N -1 1 291.351 1.164 20 0 CDADMM C/C=C/C[C@@H](CO)Nc1cc(=O)[n-]c(COC)n1 ZINC000893240459 617482764 /nfs/dbraw/zinc/48/27/64/617482764.db2.gz WZHHOYQUYOWSGP-NWALNABHSA-N -1 1 253.302 1.068 20 0 CDADMM COCc1nc(NC[C@@H](O)CC(C)C)cc(=O)[n-]1 ZINC000892131767 617496982 /nfs/dbraw/zinc/49/69/82/617496982.db2.gz ORIGTDAPDOEVKL-VIFPVBQESA-N -1 1 255.318 1.148 20 0 CDADMM CO[C@@H]1CC[C@H](C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)C1 ZINC000891616207 617505406 /nfs/dbraw/zinc/50/54/06/617505406.db2.gz WLVXCPZSUYBJTK-VHSXEESVSA-N -1 1 291.351 1.815 20 0 CDADMM CC[C@@](C)(OC)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891618267 617506936 /nfs/dbraw/zinc/50/69/36/617506936.db2.gz OKGPQSJBSJWHRK-CQSZACIVSA-N -1 1 279.340 1.815 20 0 CDADMM COCc1nc(NCCc2cn3ccccc3n2)cc(=O)[n-]1 ZINC000891668191 617530102 /nfs/dbraw/zinc/53/01/02/617530102.db2.gz UCNRKJAIMHRMQO-UHFFFAOYSA-N -1 1 299.334 1.631 20 0 CDADMM CC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1NC(C)=O ZINC000948389609 615561676 /nfs/dbraw/zinc/56/16/76/615561676.db2.gz JFBGEOBHSIBMRX-VXGBXAGGSA-N -1 1 291.351 1.164 20 0 CDADMM CN(C(=O)C(C)(C)C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000955272805 615763675 /nfs/dbraw/zinc/76/36/75/615763675.db2.gz CVXYSFVLJZMMNS-UHFFFAOYSA-N -1 1 291.351 1.116 20 0 CDADMM CN(C(=O)c1ncccc1[O-])C1CN(C(=O)C(C)(C)C)C1 ZINC000954125417 615941270 /nfs/dbraw/zinc/94/12/70/615941270.db2.gz NTFPJKPPGSEWNJ-UHFFFAOYSA-N -1 1 291.351 1.116 20 0 CDADMM COCc1nc(N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc(=O)[n-]1 ZINC000892675408 617582212 /nfs/dbraw/zinc/58/22/12/617582212.db2.gz BCUSARVFROMNMB-CUOATXAZSA-N -1 1 293.367 1.944 20 0 CDADMM CC[C@H](Nc1cc(=O)[n-]c(COC)n1)C1CCOCC1 ZINC000892764544 617715681 /nfs/dbraw/zinc/71/56/81/617715681.db2.gz ITODNBXFQJTCJU-NSHDSACASA-N -1 1 281.356 1.946 20 0 CDADMM COCc1nc(N2CCc3ncsc3C2)cc(=O)[n-]1 ZINC000893382201 617761972 /nfs/dbraw/zinc/76/19/72/617761972.db2.gz FUSLGGRTZWTTJT-UHFFFAOYSA-N -1 1 278.337 1.348 20 0 CDADMM CC[S@@](C)(=O)=NC([O-])=C(C)C(=O)OC(C)(C)C ZINC000925824017 617800469 /nfs/dbraw/zinc/80/04/69/617800469.db2.gz ZKWMWWSYMMYWNB-WNWIJWBNSA-N -1 1 263.359 1.609 20 0 CDADMM CCOc1cc(Cl)ccc1C(=O)N(C)c1nn[n-]n1 ZINC000892954059 617975710 /nfs/dbraw/zinc/97/57/10/617975710.db2.gz BHXOAXAYVUQEKZ-UHFFFAOYSA-N -1 1 281.703 1.528 20 0 CDADMM C[C@@H]1CCC[C@H](CNC(=O)CN2CCC[C@H](C(=O)[O-])C2)C1 ZINC000909400818 618083799 /nfs/dbraw/zinc/08/37/99/618083799.db2.gz KWAOOLCDCYOSJT-RDBSUJKOSA-N -1 1 296.411 1.726 20 0 CDADMM COCc1nc(N[C@@H](C)[C@@H](OC)C2CC2)cc(=O)[n-]1 ZINC000894104106 618415032 /nfs/dbraw/zinc/41/50/32/618415032.db2.gz ZDBUYEXUUVOFER-ISVAXAHUSA-N -1 1 267.329 1.554 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000901992576 618435209 /nfs/dbraw/zinc/43/52/09/618435209.db2.gz JMVHVTCPDOVRGP-NRMKKVEVSA-N -1 1 291.351 1.540 20 0 CDADMM COc1ccc([C@H](C)CN2CCOC[C@H]2CC(=O)[O-])cc1 ZINC000902002699 618474901 /nfs/dbraw/zinc/47/49/01/618474901.db2.gz TXQCJZQPKGLAHE-TZMCWYRMSA-N -1 1 293.363 1.974 20 0 CDADMM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH]ncc43)C[C@@H]21 ZINC000910852694 618534596 /nfs/dbraw/zinc/53/45/96/618534596.db2.gz VZNQCOMXGGXSFR-UPBCOZELSA-N -1 1 289.335 1.009 20 0 CDADMM C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC000902106905 618563956 /nfs/dbraw/zinc/56/39/56/618563956.db2.gz IPVHPXVPRDXSKF-MURWCNHISA-N -1 1 291.351 1.541 20 0 CDADMM C[C@H](COc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824450093 618573570 /nfs/dbraw/zinc/57/35/70/618573570.db2.gz RUKMCKPEUASJEU-SNVBAGLBSA-N -1 1 297.322 1.536 20 0 CDADMM C[C@H](COc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824450093 618573572 /nfs/dbraw/zinc/57/35/72/618573572.db2.gz RUKMCKPEUASJEU-SNVBAGLBSA-N -1 1 297.322 1.536 20 0 CDADMM CCC(C)(C)OCCNc1cc(=O)[n-]c(COC)n1 ZINC000894147640 618628836 /nfs/dbraw/zinc/62/88/36/618628836.db2.gz BDGLEELOIXDZSO-UHFFFAOYSA-N -1 1 269.345 1.946 20 0 CDADMM COCc1nc(N2C[C@H](C)[C@H](C)[C@H]2C)cc(=O)[n-]1 ZINC000894234364 618742066 /nfs/dbraw/zinc/74/20/66/618742066.db2.gz IFTZKPMAIUUEGG-LPEHRKFASA-N -1 1 251.330 1.809 20 0 CDADMM COCc1nc(N2CCC[C@@H](OC(C)C)C2)cc(=O)[n-]1 ZINC000894384241 618841285 /nfs/dbraw/zinc/84/12/85/618841285.db2.gz QCZWUKRHUWRYEV-LLVKDONJSA-N -1 1 281.356 1.722 20 0 CDADMM CN(C)C1(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CC1 ZINC000909451728 619325946 /nfs/dbraw/zinc/32/59/46/619325946.db2.gz VHOLSRVIALJKIP-UHFFFAOYSA-N -1 1 288.347 1.364 20 0 CDADMM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC000909490829 619395441 /nfs/dbraw/zinc/39/54/41/619395441.db2.gz KZZPHSBRCFPGQM-NSHDSACASA-N -1 1 293.367 1.692 20 0 CDADMM CC(C)CN1C[C@H](C(=O)[N-]OCc2ccccn2)CC1=O ZINC000909522833 619725164 /nfs/dbraw/zinc/72/51/64/619725164.db2.gz BGVSEZGTQSHATJ-GFCCVEGCSA-N -1 1 291.351 1.134 20 0 CDADMM Cc1n[nH]c(C)c1CC(=O)[N-]OCc1ccccn1 ZINC000909527992 619813821 /nfs/dbraw/zinc/81/38/21/619813821.db2.gz KXXXFXJONFJCLR-UHFFFAOYSA-N -1 1 260.297 1.212 20 0 CDADMM CC[C@@H](C[NH+]1CCOCC1)Nc1cc(Cl)[nH]c(=O)n1 ZINC000895800400 619851056 /nfs/dbraw/zinc/85/10/56/619851056.db2.gz BWCHWVDRUHNPTH-VIFPVBQESA-N -1 1 286.763 1.358 20 0 CDADMM O=C1N[C@@H](c2nc(-c3ccc([O-])cc3F)no2)CCO1 ZINC000896220887 620026838 /nfs/dbraw/zinc/02/68/38/620026838.db2.gz KDSJNLCHWRREMF-SECBINFHSA-N -1 1 279.227 1.752 20 0 CDADMM CN(CC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-])C1CCC1 ZINC000909534993 620191100 /nfs/dbraw/zinc/19/11/00/620191100.db2.gz VAFLVFJBBHRAFJ-IUODEOHRSA-N -1 1 282.384 1.620 20 0 CDADMM O=c1nc(N[C@H]2CCOC23CCCCC3)nc2[nH][n-]cc1-2 ZINC000896992439 620334858 /nfs/dbraw/zinc/33/48/58/620334858.db2.gz RTEGHLJNJWMTKI-JTQLQIEISA-N -1 1 289.339 1.336 20 0 CDADMM CCN(CC(=O)Nc1ccc(OC)cc1C(=O)[O-])C1CC1 ZINC000909612769 620508869 /nfs/dbraw/zinc/50/88/69/620508869.db2.gz NXMXUKIKKHFWCB-UHFFFAOYSA-N -1 1 292.335 1.816 20 0 CDADMM CON(C)CCNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000898466022 621751785 /nfs/dbraw/zinc/75/17/85/621751785.db2.gz SCTLSQXAGGUFDI-UHFFFAOYSA-N -1 1 290.319 1.474 20 0 CDADMM CC[C@@H](C)[C@H](C)C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898755962 621861008 /nfs/dbraw/zinc/86/10/08/621861008.db2.gz GANCPIAIFNDDGV-SFYZADRCSA-N -1 1 253.302 1.186 20 0 CDADMM Cc1nnc(SCC(=O)[N-]OCc2cccc(C)n2)[nH]1 ZINC000898933847 621972341 /nfs/dbraw/zinc/97/23/41/621972341.db2.gz HBPRNFJEIXJFHP-UHFFFAOYSA-N -1 1 293.352 1.157 20 0 CDADMM Cc1n[nH]c(SCC(=O)[N-]OCc2cccc(C)n2)n1 ZINC000898933847 621972346 /nfs/dbraw/zinc/97/23/46/621972346.db2.gz HBPRNFJEIXJFHP-UHFFFAOYSA-N -1 1 293.352 1.157 20 0 CDADMM O=C(NC[C@H]1CCCOC1)c1cnc(C2CC2)[n-]c1=O ZINC000900297192 622867747 /nfs/dbraw/zinc/86/77/47/622867747.db2.gz ABYIJXGQMBRKSM-SECBINFHSA-N -1 1 277.324 1.216 20 0 CDADMM Cc1nn(C)c(NC(=O)c2cnc(C3CC3)[n-]c2=O)c1C ZINC000900609822 623290269 /nfs/dbraw/zinc/29/02/69/623290269.db2.gz GOTQGYONSZSZIG-UHFFFAOYSA-N -1 1 287.323 1.662 20 0 CDADMM C[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)[C@@H]1CCOC1 ZINC000900843054 623558019 /nfs/dbraw/zinc/55/80/19/623558019.db2.gz TZGIJNXJFQFMDZ-PSASIEDQSA-N -1 1 277.324 1.214 20 0 CDADMM CC(C)(CCO)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901083699 623862053 /nfs/dbraw/zinc/86/20/53/623862053.db2.gz YHMKKTUAYRNDIM-UHFFFAOYSA-N -1 1 279.340 1.198 20 0 CDADMM CC(=O)C[C@@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901172545 623954267 /nfs/dbraw/zinc/95/42/67/623954267.db2.gz VAPKFLODELKTNB-SSDOTTSWSA-N -1 1 263.297 1.157 20 0 CDADMM COc1ccc(OC)c(C[N@H+]2CC[C@@](OC)(C(=O)[O-])C2)c1 ZINC000901543144 624326993 /nfs/dbraw/zinc/32/69/93/624326993.db2.gz SNHJBRCNUQUZRY-HNNXBMFYSA-N -1 1 295.335 1.379 20 0 CDADMM C[C@@H]1CN(C(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)C[C@H]1C(=O)[O-] ZINC000901652625 624394072 /nfs/dbraw/zinc/39/40/72/624394072.db2.gz 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COCc1ccccc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001605136710 1163463579 /nfs/dbraw/zinc/46/35/79/1163463579.db2.gz XBLPXEXGWUPPSJ-UHFFFAOYSA-N -1 1 299.290 1.858 20 0 CDADMM COCc1ccccc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001605136710 1163463582 /nfs/dbraw/zinc/46/35/82/1163463582.db2.gz XBLPXEXGWUPPSJ-UHFFFAOYSA-N -1 1 299.290 1.858 20 0 CDADMM CC[C@@H]1CO[C@H](C)CN1C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC001605180238 1163478705 /nfs/dbraw/zinc/47/87/05/1163478705.db2.gz XDFXALNPRYIJDY-JLLWLGSASA-N -1 1 269.341 1.633 20 0 CDADMM COc1cncc(NCc2cccc(-c3nnn[n-]3)n2)c1 ZINC001605341844 1163530619 /nfs/dbraw/zinc/53/06/19/1163530619.db2.gz HZPGAOYZYMTKCS-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM COc1cncc(NCc2cccc(-c3nn[n-]n3)n2)c1 ZINC001605341844 1163530627 /nfs/dbraw/zinc/53/06/27/1163530627.db2.gz HZPGAOYZYMTKCS-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM CCNc1nc(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)cs1 ZINC001605503071 1163588459 /nfs/dbraw/zinc/58/84/59/1163588459.db2.gz VWBJCXSOPLQJKG-PSASIEDQSA-N -1 1 269.370 1.727 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCSCC[C@H]2C)n1 ZINC001605563742 1163611974 /nfs/dbraw/zinc/61/19/74/1163611974.db2.gz FOAPJNORJDLMSH-SECBINFHSA-N -1 1 291.384 1.297 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCSCC[C@H]2C)n1 ZINC001605563742 1163611978 /nfs/dbraw/zinc/61/19/78/1163611978.db2.gz FOAPJNORJDLMSH-SECBINFHSA-N -1 1 291.384 1.297 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)C2CC2)n1 ZINC001605572657 1163613648 /nfs/dbraw/zinc/61/36/48/1163613648.db2.gz JMNLEACNCAPZRN-ZETCQYMHSA-N -1 1 259.317 1.423 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)C2CC2)n1 ZINC001605572657 1163613651 /nfs/dbraw/zinc/61/36/51/1163613651.db2.gz JMNLEACNCAPZRN-ZETCQYMHSA-N -1 1 259.317 1.423 20 0 CDADMM CCc1ncc(CN[C@](C)(COC)CC(=O)[O-])o1 ZINC001605861638 1163694609 /nfs/dbraw/zinc/69/46/09/1163694609.db2.gz VPSCZAPCQIPDMI-LBPRGKRZSA-N -1 1 256.302 1.206 20 0 CDADMM Cc1cncnc1-c1noc(-c2ccc(-c3nn[n-]n3)o2)n1 ZINC001605987847 1163736035 /nfs/dbraw/zinc/73/60/35/1163736035.db2.gz USSFEPOPJMUZKO-UHFFFAOYSA-N -1 1 296.250 1.275 20 0 CDADMM CN(C)c1noc(CNC2(CC(=O)[O-])CCCC2)n1 ZINC001606070140 1163764045 /nfs/dbraw/zinc/76/40/45/1163764045.db2.gz IKQKFYZGZFBBJS-UHFFFAOYSA-N -1 1 268.317 1.013 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@@H](C)CC(C)C)c1-c1nnn[n-]1 ZINC001606110117 1163776586 /nfs/dbraw/zinc/77/65/86/1163776586.db2.gz LPJFIXKZDURGMQ-QMMMGPOBSA-N -1 1 291.359 1.529 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@@H](C)CC(C)C)c1-c1nn[n-]n1 ZINC001606110117 1163776593 /nfs/dbraw/zinc/77/65/93/1163776593.db2.gz LPJFIXKZDURGMQ-QMMMGPOBSA-N -1 1 291.359 1.529 20 0 CDADMM Cc1nnc(NC(=O)c2csc(-c3nn[n-]n3)c2)s1 ZINC001606123451 1163779511 /nfs/dbraw/zinc/77/95/11/1163779511.db2.gz NBSLRCRMFJPHME-UHFFFAOYSA-N -1 1 293.337 1.340 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc([C@H]2C[C@@H]2C)no1 ZINC001606164885 1163793466 /nfs/dbraw/zinc/79/34/66/1163793466.db2.gz IDDODNJEANEBBC-FSPLSTOPSA-N -1 1 272.268 1.942 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc([C@H]2C[C@@H]2C)no1 ZINC001606164885 1163793475 /nfs/dbraw/zinc/79/34/75/1163793475.db2.gz IDDODNJEANEBBC-FSPLSTOPSA-N -1 1 272.268 1.942 20 0 CDADMM COC(=O)[C@@H](C)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001606321470 1163859568 /nfs/dbraw/zinc/85/95/68/1163859568.db2.gz KYOAFICVOYKGCT-JIMOISOXSA-N -1 1 293.319 1.054 20 0 CDADMM O=C(CC1CCCC1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001606499332 1163917031 /nfs/dbraw/zinc/91/70/31/1163917031.db2.gz GKLFIWDKGBRKDK-UHFFFAOYSA-N -1 1 286.339 1.458 20 0 CDADMM O=C(CC1CCCC1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001606499332 1163917035 /nfs/dbraw/zinc/91/70/35/1163917035.db2.gz GKLFIWDKGBRKDK-UHFFFAOYSA-N -1 1 286.339 1.458 20 0 CDADMM O=C(N[C@@H]1CCCC12CC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001606667496 1163954372 /nfs/dbraw/zinc/95/43/72/1163954372.db2.gz PGOCZUXEWBGOMB-LLVKDONJSA-N -1 1 284.323 1.324 20 0 CDADMM O=C(N[C@@H]1CCCC12CC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001606667496 1163954380 /nfs/dbraw/zinc/95/43/80/1163954380.db2.gz PGOCZUXEWBGOMB-LLVKDONJSA-N -1 1 284.323 1.324 20 0 CDADMM COC[C@H](N[C@H](C(=O)[O-])c1ccsc1)C1CC1 ZINC001606814714 1164000577 /nfs/dbraw/zinc/00/05/77/1164000577.db2.gz JSROKWXRUSIKFA-QWRGUYRKSA-N -1 1 255.339 1.888 20 0 CDADMM O=C(N[C@@H]1CCCC[C@H]1F)c1ccc(-c2nnn[n-]2)s1 ZINC001606865603 1164020379 /nfs/dbraw/zinc/02/03/79/1164020379.db2.gz AANYBQKEUDKTLM-HTQZYQBOSA-N -1 1 295.343 1.939 20 0 CDADMM O=C(N[C@@H]1CCCC[C@H]1F)c1ccc(-c2nn[n-]n2)s1 ZINC001606865603 1164020385 /nfs/dbraw/zinc/02/03/85/1164020385.db2.gz AANYBQKEUDKTLM-HTQZYQBOSA-N -1 1 295.343 1.939 20 0 CDADMM COCCN(Cc1cc(C(=O)[O-])c(C)n1C)[C@H]1CCOC1 ZINC001606890240 1164024222 /nfs/dbraw/zinc/02/42/22/1164024222.db2.gz WORFQPABCQKEGD-LBPRGKRZSA-N -1 1 296.367 1.269 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1(CF)CCC1 ZINC001606898053 1164027315 /nfs/dbraw/zinc/02/73/15/1164027315.db2.gz VXCKIWWISZQQLD-UHFFFAOYSA-N -1 1 291.286 1.651 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CC12CC2 ZINC001606952695 1164036310 /nfs/dbraw/zinc/03/63/10/1164036310.db2.gz HKQFXUCBAYARAU-YFKPBYRVSA-N -1 1 262.298 1.062 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CC12CC2 ZINC001606952695 1164036317 /nfs/dbraw/zinc/03/63/17/1164036317.db2.gz HKQFXUCBAYARAU-YFKPBYRVSA-N -1 1 262.298 1.062 20 0 CDADMM O=C(OC[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606964936 1164040585 /nfs/dbraw/zinc/04/05/85/1164040585.db2.gz DSIAWRWSPUVQSH-GUDFOSOFSA-N -1 1 285.307 1.465 20 0 CDADMM O=C(OC[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606964936 1164040588 /nfs/dbraw/zinc/04/05/88/1164040588.db2.gz DSIAWRWSPUVQSH-GUDFOSOFSA-N -1 1 285.307 1.465 20 0 CDADMM O=C(OC[C@H]1CCSC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606967620 1164041438 /nfs/dbraw/zinc/04/14/38/1164041438.db2.gz NJQXMCBLXWMNPF-MRVPVSSYSA-N -1 1 291.336 1.172 20 0 CDADMM O=C(OC[C@H]1CCSC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606967620 1164041433 /nfs/dbraw/zinc/04/14/33/1164041433.db2.gz NJQXMCBLXWMNPF-MRVPVSSYSA-N -1 1 291.336 1.172 20 0 CDADMM O=C(OC[C@H]1C[C@H]2C[C@H]2C1)c1coc(-c2nnn[n-]2)c1 ZINC001606973345 1164046388 /nfs/dbraw/zinc/04/63/88/1164046388.db2.gz DPUCPQCCIFTYDF-PSVAKVPMSA-N -1 1 274.280 1.663 20 0 CDADMM O=C(OC[C@H]1C[C@H]2C[C@H]2C1)c1coc(-c2nn[n-]n2)c1 ZINC001606973345 1164046393 /nfs/dbraw/zinc/04/63/93/1164046393.db2.gz DPUCPQCCIFTYDF-PSVAKVPMSA-N -1 1 274.280 1.663 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC=CC12CCCC2 ZINC001607030525 1164064772 /nfs/dbraw/zinc/06/47/72/1164064772.db2.gz GDAVAHVLBIVQKM-UHFFFAOYSA-N -1 1 285.307 1.785 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC=CC12CCCC2 ZINC001607030525 1164064777 /nfs/dbraw/zinc/06/47/77/1164064777.db2.gz GDAVAHVLBIVQKM-UHFFFAOYSA-N -1 1 285.307 1.785 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1nc2ccccc2o1 ZINC001607090725 1164077574 /nfs/dbraw/zinc/07/75/74/1164077574.db2.gz WSJYKWLDNAKXMA-UHFFFAOYSA-N -1 1 294.274 1.218 20 0 CDADMM c1cc(-c2nnc([C@@H]3CCCCO3)o2)oc1-c1nn[n-]n1 ZINC001607113683 1164094081 /nfs/dbraw/zinc/09/40/81/1164094081.db2.gz NYQFLJKVTQPZEN-QMMMGPOBSA-N -1 1 288.267 1.751 20 0 CDADMM c1cc(-c2nnn[n-]2)ncc1Cc1nc(C2CCC2)no1 ZINC001607116889 1164097503 /nfs/dbraw/zinc/09/75/03/1164097503.db2.gz WJFYIGUMPFYZOU-UHFFFAOYSA-N -1 1 283.295 1.503 20 0 CDADMM c1cc(-c2nn[n-]n2)ncc1Cc1nc(C2CCC2)no1 ZINC001607116889 1164097510 /nfs/dbraw/zinc/09/75/10/1164097510.db2.gz WJFYIGUMPFYZOU-UHFFFAOYSA-N -1 1 283.295 1.503 20 0 CDADMM c1cc2c(cccc2CNc2n[nH]cc2-c2nnn[n-]2)[nH]1 ZINC001607119207 1164102128 /nfs/dbraw/zinc/10/21/28/1164102128.db2.gz SCSXRZULKPCYOL-UHFFFAOYSA-N -1 1 280.295 1.683 20 0 CDADMM c1cc2c(cccc2CNc2n[nH]cc2-c2nn[n-]n2)[nH]1 ZINC001607119207 1164102133 /nfs/dbraw/zinc/10/21/33/1164102133.db2.gz SCSXRZULKPCYOL-UHFFFAOYSA-N -1 1 280.295 1.683 20 0 CDADMM c1csc([C@@H]2CCN(c3ccnc(-c4nnn[n-]4)c3)C2)n1 ZINC001607119635 1164102221 /nfs/dbraw/zinc/10/22/21/1164102221.db2.gz FDDBFWLAOXEHOQ-SECBINFHSA-N -1 1 299.363 1.712 20 0 CDADMM c1csc([C@@H]2CCN(c3ccnc(-c4nn[n-]n4)c3)C2)n1 ZINC001607119635 1164102226 /nfs/dbraw/zinc/10/22/26/1164102226.db2.gz FDDBFWLAOXEHOQ-SECBINFHSA-N -1 1 299.363 1.712 20 0 CDADMM c1c(-c2nn[n-]n2)nnn1CCSc1ccccc1 ZINC001607131287 1164111206 /nfs/dbraw/zinc/11/12/06/1164111206.db2.gz XDBZQWAMNVHXSF-UHFFFAOYSA-N -1 1 273.325 1.251 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC001607133671 1164111923 /nfs/dbraw/zinc/11/19/23/1164111923.db2.gz LVPMZXOPIBPUAD-ONGXEEELSA-N -1 1 272.312 1.241 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC001607133671 1164111927 /nfs/dbraw/zinc/11/19/27/1164111927.db2.gz LVPMZXOPIBPUAD-ONGXEEELSA-N -1 1 272.312 1.241 20 0 CDADMM c1cncc(CCSc2cccnc2-c2nnn[n-]2)c1 ZINC001607136430 1164116525 /nfs/dbraw/zinc/11/65/25/1164116525.db2.gz YIIZDVJXAHJJBW-UHFFFAOYSA-N -1 1 284.348 1.992 20 0 CDADMM c1cncc(CCSc2cccnc2-c2nn[n-]n2)c1 ZINC001607136430 1164116527 /nfs/dbraw/zinc/11/65/27/1164116527.db2.gz YIIZDVJXAHJJBW-UHFFFAOYSA-N -1 1 284.348 1.992 20 0 CDADMM COc1ccc([C@@H](NC/C=C/Cl)C(=O)[O-])cc1O ZINC001607233184 1164134713 /nfs/dbraw/zinc/13/47/13/1164134713.db2.gz PYTKJUIXNWGJRV-XGQHYKRYSA-N -1 1 271.700 1.869 20 0 CDADMM Cc1nc[nH]c1C(=O)OCc1cc(C(=O)[O-])c(C)[nH]1 ZINC001607499451 1164210255 /nfs/dbraw/zinc/21/02/55/1164210255.db2.gz QIYCNEDZBHNCAX-UHFFFAOYSA-N -1 1 263.253 1.410 20 0 CDADMM Cc1cn[nH]c1CN(C)[C@@H](COC(C)C)C(=O)[O-] ZINC001607556601 1164224511 /nfs/dbraw/zinc/22/45/11/1164224511.db2.gz QRRWEAONCCFBKK-NSHDSACASA-N -1 1 255.318 1.028 20 0 CDADMM Cc1cc(=O)[n-]c([C@H](C)[N@@H+]2C[C@H](C)[C@@](C)(C(=O)[O-])C2)n1 ZINC001607699258 1164275827 /nfs/dbraw/zinc/27/58/27/1164275827.db2.gz MYORTYPUVRIFPJ-BXGCZWRVSA-N -1 1 279.340 1.594 20 0 CDADMM Cc1cc(=O)[n-]c([C@H](C)[N@H+]2C[C@H](C)[C@@](C)(C(=O)[O-])C2)n1 ZINC001607699258 1164275833 /nfs/dbraw/zinc/27/58/33/1164275833.db2.gz MYORTYPUVRIFPJ-BXGCZWRVSA-N -1 1 279.340 1.594 20 0 CDADMM Cc1ccccc1[C@@H](N)C(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001607879390 1164319755 /nfs/dbraw/zinc/31/97/55/1164319755.db2.gz ZWBFKVMSOPIDEU-TZMCWYRMSA-N -1 1 290.363 1.612 20 0 CDADMM Cc1[nH+]c(NCC2(C(=O)[O-])CCC2)ccc1C(=O)[O-] ZINC001607965649 1164356662 /nfs/dbraw/zinc/35/66/62/1164356662.db2.gz RZYLRKFLYSPJQI-UHFFFAOYSA-N -1 1 264.281 1.755 20 0 CDADMM O=C([O-])[C@H](OC(=O)Cc1[nH]nc2ccccc21)C1CC1 ZINC001608372735 1164501321 /nfs/dbraw/zinc/50/13/21/1164501321.db2.gz YLFAVEBPBLFKAR-CYBMUJFWSA-N -1 1 274.276 1.512 20 0 CDADMM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000864117883 1164510338 /nfs/dbraw/zinc/51/03/38/1164510338.db2.gz DSDFWVDVVWWBIA-RNCFNFMXSA-N -1 1 267.329 1.348 20 0 CDADMM O=C([O-])CNC(=O)CCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC001608751892 1164629022 /nfs/dbraw/zinc/62/90/22/1164629022.db2.gz DDHCCMKNHWTEIY-AWEZNQCLSA-N -1 1 292.335 1.398 20 0 CDADMM O=C([O-])c1ccc(N[C@H](c2nnc[nH]2)c2ccccc2)nn1 ZINC001608903083 1164680671 /nfs/dbraw/zinc/68/06/71/1164680671.db2.gz FRHMRVXFNGEFJE-LBPRGKRZSA-N -1 1 296.290 1.494 20 0 CDADMM O=C([O-])c1cccc(Cl)c1CN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC001608933488 1164688403 /nfs/dbraw/zinc/68/84/03/1164688403.db2.gz NGVVZHHJXFSKSI-PSASIEDQSA-N -1 1 295.722 1.643 20 0 CDADMM O=C([O-])c1ccccc1CCN1CCO[C@@H]2COCC[C@@H]21 ZINC001608945548 1164691009 /nfs/dbraw/zinc/69/10/09/1164691009.db2.gz CWTMGYHNIFURCP-LSDHHAIUSA-N -1 1 291.347 1.417 20 0 CDADMM O=C([O-])c1cncc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001608983170 1164706028 /nfs/dbraw/zinc/70/60/28/1164706028.db2.gz QRDIUOWWZOUECM-UHFFFAOYSA-N -1 1 296.279 1.720 20 0 CDADMM O=C([O-])c1coc(CNC[C@@H]2COC3(CCCC3)O2)c1 ZINC001608989433 1164711719 /nfs/dbraw/zinc/71/17/19/1164711719.db2.gz KZFKEEKJJXINHU-GFCCVEGCSA-N -1 1 281.308 1.753 20 0 CDADMM CC(C)C1CCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001609092163 1164767477 /nfs/dbraw/zinc/76/74/77/1164767477.db2.gz YOGMIUFRDWPLAC-UHFFFAOYSA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)C1CCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001609092163 1164767485 /nfs/dbraw/zinc/76/74/85/1164767485.db2.gz YOGMIUFRDWPLAC-UHFFFAOYSA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)OCCCCNc1cccnc1-c1nnn[n-]1 ZINC001609101404 1164769841 /nfs/dbraw/zinc/76/98/41/1164769841.db2.gz OKKYTPFFPLVKPD-UHFFFAOYSA-N -1 1 276.344 1.879 20 0 CDADMM CC(C)OCCCCNc1cccnc1-c1nn[n-]n1 ZINC001609101404 1164769846 /nfs/dbraw/zinc/76/98/46/1164769846.db2.gz OKKYTPFFPLVKPD-UHFFFAOYSA-N -1 1 276.344 1.879 20 0 CDADMM C[C@@H](CC(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccccc1 ZINC001609108959 1164773080 /nfs/dbraw/zinc/77/30/80/1164773080.db2.gz JJZRIQWRHGXZFR-VIFPVBQESA-N -1 1 297.322 1.479 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccc[nH]1 ZINC001609121695 1164779772 /nfs/dbraw/zinc/77/97/72/1164779772.db2.gz DJBYJGUUIDZSJQ-SSDOTTSWSA-N -1 1 272.268 1.279 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccc[nH]1 ZINC001609121695 1164779780 /nfs/dbraw/zinc/77/97/80/1164779780.db2.gz DJBYJGUUIDZSJQ-SSDOTTSWSA-N -1 1 272.268 1.279 20 0 CDADMM CC1(C)C(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1(C)C ZINC001609143717 1164789837 /nfs/dbraw/zinc/78/98/37/1164789837.db2.gz UHNGYTIZFTUPBV-UHFFFAOYSA-N -1 1 286.339 1.882 20 0 CDADMM CC1(C)C(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1(C)C ZINC001609143717 1164789844 /nfs/dbraw/zinc/78/98/44/1164789844.db2.gz UHNGYTIZFTUPBV-UHFFFAOYSA-N -1 1 286.339 1.882 20 0 CDADMM C[C@]12CCN(c3nccnc3-c3nnn[n-]3)C[C@H]1C2(F)F ZINC001609152247 1164798857 /nfs/dbraw/zinc/79/88/57/1164798857.db2.gz YQHAIQVNTADSKC-HQJQHLMTSA-N -1 1 293.281 1.138 20 0 CDADMM C[C@]12CCN(c3nccnc3-c3nn[n-]n3)C[C@H]1C2(F)F ZINC001609152247 1164798863 /nfs/dbraw/zinc/79/88/63/1164798863.db2.gz YQHAIQVNTADSKC-HQJQHLMTSA-N -1 1 293.281 1.138 20 0 CDADMM C[C@H]1C[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001609157662 1164804536 /nfs/dbraw/zinc/80/45/36/1164804536.db2.gz VAHORPWPBAKNJZ-DTWKUNHWSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@H]1C[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001609157662 1164804541 /nfs/dbraw/zinc/80/45/41/1164804541.db2.gz VAHORPWPBAKNJZ-DTWKUNHWSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@@H]1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001609162684 1164808114 /nfs/dbraw/zinc/80/81/14/1164808114.db2.gz 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/nfs/dbraw/zinc/37/92/88/1165379288.db2.gz XTDYFWATIMUPFM-LURJTMIESA-N -1 1 267.663 1.272 20 0 CDADMM O=C([O-])C[C@@]1(NCc2cccc(F)c2F)CCOC1 ZINC001610758556 1165431504 /nfs/dbraw/zinc/43/15/04/1165431504.db2.gz WWNZOJJQHOKOCV-ZDUSSCGKSA-N -1 1 271.263 1.688 20 0 CDADMM O=C([O-])Cn1cc(CN2CCCCCCCC2)nn1 ZINC001610800210 1165445456 /nfs/dbraw/zinc/44/54/56/1165445456.db2.gz NBXXLWXLMHXDTE-UHFFFAOYSA-N -1 1 266.345 1.519 20 0 CDADMM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)OCc1nn[n-]n1 ZINC001649224857 1166127670 /nfs/dbraw/zinc/12/76/70/1166127670.db2.gz BUMJZGFHAOHLJJ-SECBINFHSA-N -1 1 288.307 1.199 20 0 CDADMM COCCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC000095190792 1166606821 /nfs/dbraw/zinc/60/68/21/1166606821.db2.gz JHOSMORSMDUXJO-UHFFFAOYSA-N -1 1 260.710 1.035 20 0 CDADMM COCCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC000095190792 1166606829 /nfs/dbraw/zinc/60/68/29/1166606829.db2.gz JHOSMORSMDUXJO-UHFFFAOYSA-N -1 1 260.710 1.035 20 0 CDADMM Cn1cc(C=CC(=O)Nc2n[n-]c(C(F)(F)F)n2)cn1 ZINC000050603814 1166670320 /nfs/dbraw/zinc/67/03/20/1166670320.db2.gz VANKYJRJGZFJDI-NSCUHMNNSA-N -1 1 286.217 1.209 20 0 CDADMM CC(C)(C)[C@H](CO)NC(=O)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155269372 1167110880 /nfs/dbraw/zinc/11/08/80/1167110880.db2.gz BZNTYWGPFZFWMX-NSHDSACASA-N -1 1 277.324 1.405 20 0 CDADMM Cc1onc(-c2cccnc2)c1C(=O)Nc1c[n-][nH]c1=O ZINC001641601777 1167123971 /nfs/dbraw/zinc/12/39/71/1167123971.db2.gz ZLQXAVVECMBSPA-UHFFFAOYSA-N -1 1 285.263 1.726 20 0 CDADMM CN(C(=O)C1(c2ccc(F)cc2)CCC1)c1nn[n-]n1 ZINC001646204238 1167694266 /nfs/dbraw/zinc/69/42/66/1167694266.db2.gz VADAVTXHRPZSTJ-UHFFFAOYSA-N -1 1 275.287 1.424 20 0 CDADMM CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1nn[n-]n1 ZINC001647403886 1168650973 /nfs/dbraw/zinc/65/09/73/1168650973.db2.gz ZPSIWBIQXVYWPC-RQJHMYQMSA-N -1 1 277.250 1.531 20 0 CDADMM O=C(CCc1ccon1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC001649898837 1169479274 /nfs/dbraw/zinc/47/92/74/1169479274.db2.gz ORPYSCBSFNRZTF-SECBINFHSA-N -1 1 292.295 1.102 20 0 CDADMM COC1CC(C(=O)OCC(=O)c2ccc([O-])cc2O)C1 ZINC001649924263 1169501874 /nfs/dbraw/zinc/50/18/74/1169501874.db2.gz WCIYXGSZDRWWDG-UHFFFAOYSA-N -1 1 280.276 1.249 20 0 CDADMM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(C)c1nn[n-]n1 ZINC001649997521 1169585515 /nfs/dbraw/zinc/58/55/15/1169585515.db2.gz CRFQSHBPXXLHFA-ZCFIWIBFSA-N -1 1 299.693 1.423 20 0 CDADMM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N(C)c1nn[n-]n1 ZINC001649997902 1169586168 /nfs/dbraw/zinc/58/61/68/1169586168.db2.gz FHFTYLOTWJYSSC-SECBINFHSA-N -1 1 287.323 1.119 20 0 CDADMM CC1(C)CN(Cc2ccc(C(=O)[O-])[nH]2)[C@@H]2COC[C@@H]21 ZINC001573613237 1170707354 /nfs/dbraw/zinc/70/73/54/1170707354.db2.gz QTKAWILNFMEOIT-CMPLNLGQSA-N -1 1 264.325 1.570 20 0 CDADMM CCOC(=O)c1csc(CN[C@H]2CCC[C@H]2C(=O)[O-])n1 ZINC001573794478 1170779961 /nfs/dbraw/zinc/77/99/61/1170779961.db2.gz YOKOILQGPHGKJV-BDAKNGLRSA-N -1 1 298.364 1.663 20 0 CDADMM CO[C@@H](c1ccccc1)[C@H](C)NCc1nc(C(=O)[O-])n[nH]1 ZINC001573947923 1170836430 /nfs/dbraw/zinc/83/64/30/1170836430.db2.gz DLWGHFGUFZETFF-JOYOIKCWSA-N -1 1 290.323 1.369 20 0 CDADMM O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)c1c(O)cccc1F ZINC001574399129 1170971468 /nfs/dbraw/zinc/97/14/68/1170971468.db2.gz VYMXBYBEPRCXBD-SXMVTHIZSA-N -1 1 279.267 1.609 20 0 CDADMM O=C([O-])[C@@H]1[C@@H]2CCN(Cc3cn(C4CC4)cn3)C[C@@H]21 ZINC001574405462 1170973835 /nfs/dbraw/zinc/97/38/35/1170973835.db2.gz GVVQFZCBXWKJII-FRRDWIJNSA-N -1 1 261.325 1.371 20 0 CDADMM O=C([O-])[C@@H]1[C@@H]2CCN(Cc3ncccc3F)C[C@@H]21 ZINC001574405823 1170973931 /nfs/dbraw/zinc/97/39/31/1170973931.db2.gz NAXDSGVZFIXJKK-VDDIYKPWSA-N -1 1 250.273 1.373 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1csc(-c2ccccn2)n1 ZINC001651044173 1171281191 /nfs/dbraw/zinc/28/11/91/1171281191.db2.gz CSOQOXDISXCYAU-UHFFFAOYSA-N -1 1 287.304 1.886 20 0 CDADMM Cc1cn(-c2ccccc2)nc1C(=O)Nc1c[n-][nH]c1=O ZINC001651044377 1171281351 /nfs/dbraw/zinc/28/13/51/1171281351.db2.gz GRWZICMDYVZJLL-UHFFFAOYSA-N -1 1 283.291 1.862 20 0 CDADMM O=C(Nc1ccnc(-n2cccn2)c1)c1ccc([O-])cn1 ZINC001653662097 1171556959 /nfs/dbraw/zinc/55/69/59/1171556959.db2.gz KGDFTSHWVGNEEV-UHFFFAOYSA-N -1 1 281.275 1.620 20 0 CDADMM Cc1csc(CCC(=O)Nc2c[n-][nH]c2=O)n1 ZINC001654603677 1171624614 /nfs/dbraw/zinc/62/46/14/1171624614.db2.gz YIXJZQCKJPESGQ-UHFFFAOYSA-N -1 1 252.299 1.452 20 0 CDADMM Cc1c(Nc2ccnc(-c3nnn[n-]3)c2)cccc1N(C)C ZINC001580559968 1172467883 /nfs/dbraw/zinc/46/78/83/1172467883.db2.gz PPKCMZQJIPCCQE-UHFFFAOYSA-N -1 1 295.350 1.802 20 0 CDADMM Cc1c(Nc2ccnc(-c3nn[n-]n3)c2)cccc1N(C)C ZINC001580559968 1172467890 /nfs/dbraw/zinc/46/78/90/1172467890.db2.gz PPKCMZQJIPCCQE-UHFFFAOYSA-N -1 1 295.350 1.802 20 0 CDADMM O=C(Nc1ccc(F)nc1F)c1coc(-c2nnn[n-]2)c1 ZINC001582641349 1172687159 /nfs/dbraw/zinc/68/71/59/1172687159.db2.gz BAORSLZUZKHRJR-UHFFFAOYSA-N -1 1 292.205 1.385 20 0 CDADMM O=C(Nc1ccc(F)nc1F)c1coc(-c2nn[n-]n2)c1 ZINC001582641349 1172687162 /nfs/dbraw/zinc/68/71/62/1172687162.db2.gz BAORSLZUZKHRJR-UHFFFAOYSA-N -1 1 292.205 1.385 20 0 CDADMM c1cc(N2CCC[C@@H]3CCCC[C@@H]32)nnc1-c1nnn[n-]1 ZINC001582816596 1172696026 /nfs/dbraw/zinc/69/60/26/1172696026.db2.gz LTCZOJPCIKMGHI-JQWIXIFHSA-N -1 1 285.355 1.816 20 0 CDADMM c1cc(N2CCC[C@@H]3CCCC[C@@H]32)nnc1-c1nn[n-]n1 ZINC001582816596 1172696028 /nfs/dbraw/zinc/69/60/28/1172696028.db2.gz LTCZOJPCIKMGHI-JQWIXIFHSA-N -1 1 285.355 1.816 20 0 CDADMM c1cc2cc(Oc3ccc(-c4nnn[n-]4)nn3)ccc2cn1 ZINC001582817777 1172696850 /nfs/dbraw/zinc/69/68/50/1172696850.db2.gz XGPIJRLRPQHZCT-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1cc2cc(Oc3ccc(-c4nn[n-]n4)nn3)ccc2cn1 ZINC001582817777 1172696853 /nfs/dbraw/zinc/69/68/53/1172696853.db2.gz XGPIJRLRPQHZCT-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM Cc1coc(C(=O)N=c2ccnc3n(C)[n-]cc2-3)c1 ZINC001586218996 1172936542 /nfs/dbraw/zinc/93/65/42/1172936542.db2.gz FHDWKFLAPIBONZ-UHFFFAOYSA-N -1 1 256.265 1.496 20 0 CDADMM C1=CC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2C1 ZINC001588385157 1173056688 /nfs/dbraw/zinc/05/66/88/1173056688.db2.gz DQPRENPVROZIAN-AOOOYVTPSA-N -1 1 269.312 1.059 20 0 CDADMM C1=CC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2C1 ZINC001588385157 1173056694 /nfs/dbraw/zinc/05/66/94/1173056694.db2.gz DQPRENPVROZIAN-AOOOYVTPSA-N -1 1 269.312 1.059 20 0 CDADMM CC(C)(C)C1CC(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001589096857 1173124119 /nfs/dbraw/zinc/12/41/19/1173124119.db2.gz VPJFPZAYVIESNE-UHFFFAOYSA-N -1 1 289.343 1.601 20 0 CDADMM CC(C)(C)C1CC(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001589096857 1173124123 /nfs/dbraw/zinc/12/41/23/1173124123.db2.gz VPJFPZAYVIESNE-UHFFFAOYSA-N -1 1 289.343 1.601 20 0 CDADMM CC(C)[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001589509202 1173153515 /nfs/dbraw/zinc/15/35/15/1173153515.db2.gz MZWWNTDNQKKQSD-SECBINFHSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@H](CCC1CC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589803950 1173185352 /nfs/dbraw/zinc/18/53/52/1173185352.db2.gz CIUZGJQPEAGPNP-SECBINFHSA-N -1 1 258.329 1.674 20 0 CDADMM C[C@H](CCC1CC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589803950 1173185357 /nfs/dbraw/zinc/18/53/57/1173185357.db2.gz CIUZGJQPEAGPNP-SECBINFHSA-N -1 1 258.329 1.674 20 0 CDADMM C[C@@H](COc1cnc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001589886994 1173195089 /nfs/dbraw/zinc/19/50/89/1173195089.db2.gz OXBBQCMTFAEKNL-QMMMGPOBSA-N -1 1 262.317 1.718 20 0 CDADMM C[C@H](NCc1csc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001589972487 1173219391 /nfs/dbraw/zinc/21/93/91/1173219391.db2.gz GOUJDSJUSFMTTC-YFKPBYRVSA-N -1 1 277.275 1.969 20 0 CDADMM CC1(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)CC=CC1 ZINC001590069864 1173242399 /nfs/dbraw/zinc/24/23/99/1173242399.db2.gz XWSVNYFJVWIPPV-UHFFFAOYSA-N -1 1 299.338 1.762 20 0 CDADMM CC1(C)C[C@](C)(NCc2ccc(-c3nnn[n-]3)o2)C(=O)O1 ZINC001590080185 1173249520 /nfs/dbraw/zinc/24/95/20/1173249520.db2.gz MSKQMXKDNHXYKO-ZDUSSCGKSA-N -1 1 291.311 1.034 20 0 CDADMM CC1(C)C[C@](C)(NCc2ccc(-c3nn[n-]n3)o2)C(=O)O1 ZINC001590080185 1173249524 /nfs/dbraw/zinc/24/95/24/1173249524.db2.gz MSKQMXKDNHXYKO-ZDUSSCGKSA-N -1 1 291.311 1.034 20 0 CDADMM CC1(C)C[C@H](Sc2ccnc(-c3nn[n-]n3)n2)CO1 ZINC001590084594 1173252206 /nfs/dbraw/zinc/25/22/06/1173252206.db2.gz GLEOZSJJGROUJF-ZETCQYMHSA-N -1 1 278.341 1.316 20 0 CDADMM CC1(C)CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)O1 ZINC001590093334 1173253559 /nfs/dbraw/zinc/25/35/59/1173253559.db2.gz HPHHLLXHEAHHNY-VIFPVBQESA-N -1 1 289.343 1.416 20 0 CDADMM CC1(C)CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)O1 ZINC001590093334 1173253564 /nfs/dbraw/zinc/25/35/64/1173253564.db2.gz HPHHLLXHEAHHNY-VIFPVBQESA-N -1 1 289.343 1.416 20 0 CDADMM CC1(C)CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)OC1 ZINC001590090940 1173254667 /nfs/dbraw/zinc/25/46/67/1173254667.db2.gz RBFIPJCTGHVKMS-SECBINFHSA-N -1 1 289.343 1.274 20 0 CDADMM CC1(C)CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)OC1 ZINC001590090940 1173254677 /nfs/dbraw/zinc/25/46/77/1173254677.db2.gz RBFIPJCTGHVKMS-SECBINFHSA-N -1 1 289.343 1.274 20 0 CDADMM CC1(C)CN(c2cccc(-c3nnn[n-]3)n2)CC(C)(C)O1 ZINC001590108227 1173260457 /nfs/dbraw/zinc/26/04/57/1173260457.db2.gz UNNALFFYZQNQDI-UHFFFAOYSA-N -1 1 288.355 1.656 20 0 CDADMM CC1(C)CN(c2cccc(-c3nn[n-]n3)n2)CC(C)(C)O1 ZINC001590108227 1173260460 /nfs/dbraw/zinc/26/04/60/1173260460.db2.gz UNNALFFYZQNQDI-UHFFFAOYSA-N -1 1 288.355 1.656 20 0 CDADMM CC12CC(C1)CN2c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001590158441 1173275004 /nfs/dbraw/zinc/27/50/04/1173275004.db2.gz XXPYPAKRRVYRPH-UHFFFAOYSA-N -1 1 282.760 1.965 20 0 CDADMM C[C@H]1CC2(CCC2)CN1c1cc(-c2nnn[n-]2)ncn1 ZINC001590219094 1173297376 /nfs/dbraw/zinc/29/73/76/1173297376.db2.gz KMJRADQWWLJRSW-VIFPVBQESA-N -1 1 271.328 1.426 20 0 CDADMM C[C@H]1CC2(CCC2)CN1c1cc(-c2nn[n-]n2)ncn1 ZINC001590219094 1173297380 /nfs/dbraw/zinc/29/73/80/1173297380.db2.gz KMJRADQWWLJRSW-VIFPVBQESA-N -1 1 271.328 1.426 20 0 CDADMM C[C@H]1CCc2[n-]n(-c3cccc(-c4nn[nH]n4)c3)c(=O)c21 ZINC001590239614 1173311606 /nfs/dbraw/zinc/31/16/06/1173311606.db2.gz NKBBQKAGPKMLKP-UFBFGSQYSA-N -1 1 282.307 1.615 20 0 CDADMM C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590253031 1173321333 /nfs/dbraw/zinc/32/13/33/1173321333.db2.gz DLVNJOPQMHEBPI-RKDXNWHRSA-N -1 1 275.312 1.768 20 0 CDADMM C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590253031 1173321338 /nfs/dbraw/zinc/32/13/38/1173321338.db2.gz DLVNJOPQMHEBPI-RKDXNWHRSA-N -1 1 275.312 1.768 20 0 CDADMM C/C=C/C[C@@H](CO)Nc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001590350981 1173367281 /nfs/dbraw/zinc/36/72/81/1173367281.db2.gz CHGGCCQLFLVACX-FSIBCCDJSA-N -1 1 274.328 1.309 20 0 CDADMM C/C=C/C[C@@H](CO)Nc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001590350981 1173367287 /nfs/dbraw/zinc/36/72/87/1173367287.db2.gz CHGGCCQLFLVACX-FSIBCCDJSA-N -1 1 274.328 1.309 20 0 CDADMM CC[C@@H](C)OC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590414441 1173399002 /nfs/dbraw/zinc/39/90/02/1173399002.db2.gz OFSMWQLHOQXGFD-ZCFIWIBFSA-N -1 1 250.258 1.723 20 0 CDADMM CC[C@@H](C)OC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590414441 1173399008 /nfs/dbraw/zinc/39/90/08/1173399008.db2.gz OFSMWQLHOQXGFD-ZCFIWIBFSA-N -1 1 250.258 1.723 20 0 CDADMM CC[C@@H](C)n1ncc(Nc2ncncc2-c2nn[n-]n2)c1C ZINC001590418174 1173401906 /nfs/dbraw/zinc/40/19/06/1173401906.db2.gz ILIFWHYISAVFHB-MRVPVSSYSA-N -1 1 299.342 1.876 20 0 CDADMM CCC(F)(F)Cn1ccc(C)c(-c2nn[n-]n2)c1=O ZINC001590451670 1173413553 /nfs/dbraw/zinc/41/35/53/1173413553.db2.gz KARBHEIFTJNAQW-UHFFFAOYSA-N -1 1 269.255 1.382 20 0 CDADMM CC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)C(C)(C)O ZINC001590473033 1173425238 /nfs/dbraw/zinc/42/52/38/1173425238.db2.gz KHLIYOFTKZVOEG-SECBINFHSA-N -1 1 262.317 1.223 20 0 CDADMM CC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)C(C)(C)O ZINC001590473033 1173425241 /nfs/dbraw/zinc/42/52/41/1173425241.db2.gz KHLIYOFTKZVOEG-SECBINFHSA-N -1 1 262.317 1.223 20 0 CDADMM CC[C@H]1CC[C@H](C)N1c1cncc(-c2nnn[n-]2)n1 ZINC001590505874 1173440345 /nfs/dbraw/zinc/44/03/45/1173440345.db2.gz WWPVCMJLVXAGQB-IUCAKERBSA-N -1 1 259.317 1.424 20 0 CDADMM CC[C@H]1CC[C@H](C)N1c1cncc(-c2nn[n-]n2)n1 ZINC001590505874 1173440352 /nfs/dbraw/zinc/44/03/52/1173440352.db2.gz WWPVCMJLVXAGQB-IUCAKERBSA-N -1 1 259.317 1.424 20 0 CDADMM CC[C@@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)C[C@@H](C)O1 ZINC001590525540 1173452856 /nfs/dbraw/zinc/45/28/56/1173452856.db2.gz ZHWXWEFGBPMQJY-RKDXNWHRSA-N -1 1 294.384 1.323 20 0 CDADMM CC[C@@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)C[C@@H](C)O1 ZINC001590525540 1173452866 /nfs/dbraw/zinc/45/28/66/1173452866.db2.gz ZHWXWEFGBPMQJY-RKDXNWHRSA-N -1 1 294.384 1.323 20 0 CDADMM CC[C@@H]1CN(c2ncncc2-c2nn[n-]n2)C[C@@H](CC)O1 ZINC001590524755 1173453713 /nfs/dbraw/zinc/45/37/13/1173453713.db2.gz SFEGFVNWBLCLJJ-NXEZZACHSA-N -1 1 289.343 1.051 20 0 CDADMM CCCc1cc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)n[nH]1 ZINC001590657661 1173484109 /nfs/dbraw/zinc/48/41/09/1173484109.db2.gz SISIJFRWHUNFTG-UHFFFAOYSA-N -1 1 298.310 1.190 20 0 CDADMM CCCc1cc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)n[nH]1 ZINC001590657661 1173484115 /nfs/dbraw/zinc/48/41/15/1173484115.db2.gz SISIJFRWHUNFTG-UHFFFAOYSA-N -1 1 298.310 1.190 20 0 CDADMM CCN(Cc1ccncc1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590722230 1173500206 /nfs/dbraw/zinc/50/02/06/1173500206.db2.gz UFOZVSDVXKKIKW-UHFFFAOYSA-N -1 1 298.306 1.517 20 0 CDADMM CCN(Cc1ccncc1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590722230 1173500209 /nfs/dbraw/zinc/50/02/09/1173500209.db2.gz UFOZVSDVXKKIKW-UHFFFAOYSA-N -1 1 298.306 1.517 20 0 CDADMM CCSCC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001590853775 1173529288 /nfs/dbraw/zinc/52/92/88/1173529288.db2.gz YYBHLOYBXDDJGW-MRVPVSSYSA-N -1 1 279.373 1.600 20 0 CDADMM CCSCC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001590853775 1173529295 /nfs/dbraw/zinc/52/92/95/1173529295.db2.gz YYBHLOYBXDDJGW-MRVPVSSYSA-N -1 1 279.373 1.600 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](C)[C@H](C)C2)n1 ZINC001590904425 1173539711 /nfs/dbraw/zinc/53/97/11/1173539711.db2.gz BRNPCMCHRBPBMP-RKDXNWHRSA-N -1 1 273.344 1.311 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](C)[C@H](C)C2)n1 ZINC001590904425 1173539713 /nfs/dbraw/zinc/53/97/13/1173539713.db2.gz BRNPCMCHRBPBMP-RKDXNWHRSA-N -1 1 273.344 1.311 20 0 CDADMM CCc1nc(N[C@@H]2CC23CCCC3)cc(-c2nnn[n-]2)n1 ZINC001590917083 1173542175 /nfs/dbraw/zinc/54/21/75/1173542175.db2.gz JBDMSGTZHMHFRM-SNVBAGLBSA-N -1 1 285.355 1.964 20 0 CDADMM CCc1nc(N[C@@H]2CC23CCCC3)cc(-c2nn[n-]n2)n1 ZINC001590917083 1173542186 /nfs/dbraw/zinc/54/21/86/1173542186.db2.gz JBDMSGTZHMHFRM-SNVBAGLBSA-N -1 1 285.355 1.964 20 0 CDADMM CN(C(=O)[C@H]1CCC1(C)C)c1ccc(-c2nnn[n-]2)nc1 ZINC001590977004 1173556007 /nfs/dbraw/zinc/55/60/07/1173556007.db2.gz JXWHCMNXOBYPFY-SNVBAGLBSA-N -1 1 286.339 1.661 20 0 CDADMM CN(C(=O)[C@H]1CCC1(C)C)c1ccc(-c2nn[n-]n2)nc1 ZINC001590977004 1173556009 /nfs/dbraw/zinc/55/60/09/1173556009.db2.gz JXWHCMNXOBYPFY-SNVBAGLBSA-N -1 1 286.339 1.661 20 0 CDADMM CN(C(=O)c1cccc(F)c1-c1nnn[n-]1)c1cn[nH]c1 ZINC001590995183 1173556894 /nfs/dbraw/zinc/55/68/94/1173556894.db2.gz XLWWMJOEWUZCDR-UHFFFAOYSA-N -1 1 287.258 1.006 20 0 CDADMM CN(C(=O)c1cccc(F)c1-c1nn[n-]n1)c1cn[nH]c1 ZINC001590995183 1173556898 /nfs/dbraw/zinc/55/68/98/1173556898.db2.gz XLWWMJOEWUZCDR-UHFFFAOYSA-N -1 1 287.258 1.006 20 0 CDADMM CN(C(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001590986054 1173557903 /nfs/dbraw/zinc/55/79/03/1173557903.db2.gz LRPCLJDBKCWDMJ-UHFFFAOYSA-N -1 1 294.318 1.467 20 0 CDADMM CN(C(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001590986054 1173557908 /nfs/dbraw/zinc/55/79/08/1173557908.db2.gz LRPCLJDBKCWDMJ-UHFFFAOYSA-N -1 1 294.318 1.467 20 0 CDADMM CN(Cc1ccsc1)c1cc(-c2nnn[n-]2)ncn1 ZINC001591150849 1173580354 /nfs/dbraw/zinc/58/03/54/1173580354.db2.gz LNKQRTYOEXBBKY-UHFFFAOYSA-N -1 1 273.325 1.355 20 0 CDADMM CN(Cc1ccsc1)c1cc(-c2nn[n-]n2)ncn1 ZINC001591150849 1173580358 /nfs/dbraw/zinc/58/03/58/1173580358.db2.gz LNKQRTYOEXBBKY-UHFFFAOYSA-N -1 1 273.325 1.355 20 0 CDADMM CN(Cc1ccccc1)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591148319 1173582017 /nfs/dbraw/zinc/58/20/17/1173582017.db2.gz PCCLCMZDZXSVCY-UHFFFAOYSA-N -1 1 294.318 1.534 20 0 CDADMM CN(Cc1ccccc1)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591148319 1173582022 /nfs/dbraw/zinc/58/20/22/1173582022.db2.gz PCCLCMZDZXSVCY-UHFFFAOYSA-N -1 1 294.318 1.534 20 0 CDADMM CO[C@H](C)[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591323881 1173610933 /nfs/dbraw/zinc/61/09/33/1173610933.db2.gz GINPSSTUHZLPLP-RFZPGFLSSA-N -1 1 288.764 1.812 20 0 CDADMM CO[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)nc(C)n2)C1(C)C ZINC001591349524 1173623652 /nfs/dbraw/zinc/62/36/52/1173623652.db2.gz RWOKLYSUCBGETM-UWVGGRQHSA-N -1 1 289.343 1.191 20 0 CDADMM CO[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)nc(C)n2)C1(C)C ZINC001591349524 1173623650 /nfs/dbraw/zinc/62/36/50/1173623650.db2.gz RWOKLYSUCBGETM-UWVGGRQHSA-N -1 1 289.343 1.191 20 0 CDADMM CO[C@@H]1CCC[C@H]1CNc1ccc(C)nc1-c1nnn[n-]1 ZINC001591359928 1173628959 /nfs/dbraw/zinc/62/89/59/1173628959.db2.gz GHYNFXSNDAPENX-CMPLNLGQSA-N -1 1 288.355 1.797 20 0 CDADMM CO[C@@H]1CCC[C@H]1CNc1ccc(C)nc1-c1nn[n-]n1 ZINC001591359928 1173628962 /nfs/dbraw/zinc/62/89/62/1173628962.db2.gz GHYNFXSNDAPENX-CMPLNLGQSA-N -1 1 288.355 1.797 20 0 CDADMM COc1ccccc1Sc1cncc(-c2nnn[n-]2)n1 ZINC001591654121 1173676725 /nfs/dbraw/zinc/67/67/25/1173676725.db2.gz DFBSTQJEPRHPDB-UHFFFAOYSA-N -1 1 286.320 1.817 20 0 CDADMM COc1ccccc1Sc1cncc(-c2nn[n-]n2)n1 ZINC001591654121 1173676729 /nfs/dbraw/zinc/67/67/29/1173676729.db2.gz DFBSTQJEPRHPDB-UHFFFAOYSA-N -1 1 286.320 1.817 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](CF)C2)n1 ZINC001591889639 1173739636 /nfs/dbraw/zinc/73/96/36/1173739636.db2.gz WXGLWZUHTGVOAD-SECBINFHSA-N -1 1 277.307 1.151 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](CF)C2)n1 ZINC001591889639 1173739637 /nfs/dbraw/zinc/73/96/37/1173739637.db2.gz WXGLWZUHTGVOAD-SECBINFHSA-N -1 1 277.307 1.151 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCC2SCCS2)n1 ZINC001591896238 1173740746 /nfs/dbraw/zinc/74/07/46/1173740746.db2.gz IKJZJBFEVFFFLX-UHFFFAOYSA-N -1 1 295.397 1.183 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCC2SCCS2)n1 ZINC001591896238 1173740751 /nfs/dbraw/zinc/74/07/51/1173740751.db2.gz IKJZJBFEVFFFLX-UHFFFAOYSA-N -1 1 295.397 1.183 20 0 CDADMM Cc1cc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)c(C)o1 ZINC001591933779 1173750588 /nfs/dbraw/zinc/75/05/88/1173750588.db2.gz FUMPEGCWCJKZQN-UHFFFAOYSA-N -1 1 273.256 1.052 20 0 CDADMM Cc1cc(N[C@@H](C)c2cnn(C)c2)nc(-c2nnn[n-]2)c1 ZINC001592034821 1173778464 /nfs/dbraw/zinc/77/84/64/1173778464.db2.gz NXSRYOKBUDNPQX-VIFPVBQESA-N -1 1 284.327 1.477 20 0 CDADMM Cc1cc(N[C@@H](C)c2cnn(C)c2)nc(-c2nn[n-]n2)c1 ZINC001592034821 1173778473 /nfs/dbraw/zinc/77/84/73/1173778473.db2.gz NXSRYOKBUDNPQX-VIFPVBQESA-N -1 1 284.327 1.477 20 0 CDADMM Cc1cc(N[C@@H](CO)c2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001592054626 1173789410 /nfs/dbraw/zinc/78/94/10/1173789410.db2.gz MXJYNJNWMSKVHC-AWEZNQCLSA-N -1 1 296.334 1.138 20 0 CDADMM Cc1cc(N[C@@H](CO)c2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001592054626 1173789415 /nfs/dbraw/zinc/78/94/15/1173789415.db2.gz MXJYNJNWMSKVHC-AWEZNQCLSA-N -1 1 296.334 1.138 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H]1CC[C@@H](C)O1 ZINC001592113405 1173806449 /nfs/dbraw/zinc/80/64/49/1173806449.db2.gz GDUZFPSRUGCJOJ-NXEZZACHSA-N -1 1 274.328 1.550 20 0 CDADMM Cc1ccc(N[C@@H]2CCC[C@@H]2CCO)nc1-c1nnn[n-]1 ZINC001592184311 1173829684 /nfs/dbraw/zinc/82/96/84/1173829684.db2.gz RBKNVOCFTBQDBR-GHMZBOCLSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(N[C@@H]2CCC[C@@H]2CCO)nc1-c1nn[n-]n1 ZINC001592184311 1173829686 /nfs/dbraw/zinc/82/96/86/1173829686.db2.gz RBKNVOCFTBQDBR-GHMZBOCLSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc2c(c1)CCN2C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592203924 1173834395 /nfs/dbraw/zinc/83/43/95/1173834395.db2.gz PGTYHCMWDCDFMQ-UHFFFAOYSA-N -1 1 295.302 1.971 20 0 CDADMM Cc1ccn(COC2CCCCC2)c(=O)c1-c1nn[n-]n1 ZINC001592267300 1173838133 /nfs/dbraw/zinc/83/81/33/1173838133.db2.gz OOPXYVNTNJETER-UHFFFAOYSA-N -1 1 289.339 1.644 20 0 CDADMM Cc1cnc(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)s1 ZINC001592295364 1173850156 /nfs/dbraw/zinc/85/01/56/1173850156.db2.gz ASQFQEWLNRHETP-UHFFFAOYSA-N -1 1 288.336 1.150 20 0 CDADMM Cc1[nH]nc(NCc2ccc3c[nH]nc3c2)c1-c1nn[n-]n1 ZINC001592330475 1173857770 /nfs/dbraw/zinc/85/77/70/1173857770.db2.gz HMFHVPDYVCSPMD-UHFFFAOYSA-N -1 1 295.310 1.387 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(CCCCCCO)c1C ZINC001592339573 1173861753 /nfs/dbraw/zinc/86/17/53/1173861753.db2.gz PLFZUPOXRQDBEZ-UHFFFAOYSA-N -1 1 264.333 1.233 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(CCCCCCO)c1C ZINC001592339573 1173861757 /nfs/dbraw/zinc/86/17/57/1173861757.db2.gz PLFZUPOXRQDBEZ-UHFFFAOYSA-N -1 1 264.333 1.233 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCCC2(C)C)n1 ZINC001592341357 1173862273 /nfs/dbraw/zinc/86/22/73/1173862273.db2.gz QOANBVJTDRLPLX-UHFFFAOYSA-N -1 1 259.317 1.344 20 0 CDADMM Cc1nc(NC[C@@H]2CCC(C)(C)O2)cc(-c2nnn[n-]2)n1 ZINC001592388727 1173879091 /nfs/dbraw/zinc/87/90/91/1173879091.db2.gz YZWLBFUAYIXAIN-VIFPVBQESA-N -1 1 289.343 1.335 20 0 CDADMM Cc1nc(NC[C@@H]2CCC(C)(C)O2)cc(-c2nn[n-]n2)n1 ZINC001592388727 1173879095 /nfs/dbraw/zinc/87/90/95/1173879095.db2.gz YZWLBFUAYIXAIN-VIFPVBQESA-N -1 1 289.343 1.335 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@H]1C(C)C ZINC001592496975 1173906145 /nfs/dbraw/zinc/90/61/45/1173906145.db2.gz QHFQKMCJUHUNCQ-JTQLQIEISA-N -1 1 275.312 1.639 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@H]1C(C)C ZINC001592496975 1173906150 /nfs/dbraw/zinc/90/61/50/1173906150.db2.gz QHFQKMCJUHUNCQ-JTQLQIEISA-N -1 1 275.312 1.639 20 0 CDADMM Clc1sc(NC[C@@H]2CCOC2)nc1-c1nn[n-]n1 ZINC001592543961 1173918558 /nfs/dbraw/zinc/91/85/58/1173918558.db2.gz UFEVWCLWUSZDLZ-YFKPBYRVSA-N -1 1 286.748 1.425 20 0 CDADMM FC(F)(F)[C@H](NCc1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC001592614042 1173929232 /nfs/dbraw/zinc/92/92/32/1173929232.db2.gz RKJQPECBBDYNMO-SECBINFHSA-N -1 1 287.245 1.890 20 0 CDADMM FC(F)(F)[C@H](NCc1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC001592614042 1173929236 /nfs/dbraw/zinc/92/92/36/1173929236.db2.gz RKJQPECBBDYNMO-SECBINFHSA-N -1 1 287.245 1.890 20 0 CDADMM FC(F)OC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001592622947 1173931987 /nfs/dbraw/zinc/93/19/87/1173931987.db2.gz GZCRGASQRKYRDE-UHFFFAOYSA-N -1 1 287.295 1.352 20 0 CDADMM Fc1ccc(OCC2CCCC2)c(-c2nnn[n-]2)n1 ZINC001592652012 1173952799 /nfs/dbraw/zinc/95/27/99/1173952799.db2.gz LFJPBRRXAKGIAP-UHFFFAOYSA-N -1 1 263.276 1.970 20 0 CDADMM Fc1ccc(OCC2CCCC2)c(-c2nn[n-]n2)n1 ZINC001592652012 1173952803 /nfs/dbraw/zinc/95/28/03/1173952803.db2.gz LFJPBRRXAKGIAP-UHFFFAOYSA-N -1 1 263.276 1.970 20 0 CDADMM Fc1ccc(OCCOC2CCCC2)c(-c2nn[n-]n2)n1 ZINC001592652247 1173952933 /nfs/dbraw/zinc/95/29/33/1173952933.db2.gz ZLYSBFVGCLVWHB-UHFFFAOYSA-N -1 1 293.302 1.739 20 0 CDADMM Fc1ccc([C@@H]2C[C@H]2Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001592653267 1173956259 /nfs/dbraw/zinc/95/62/59/1173956259.db2.gz SGZPZFCWNLLKRG-CMPLNLGQSA-N -1 1 297.297 1.764 20 0 CDADMM Fc1ccc([C@@H]2C[C@H]2Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001592653267 1173956265 /nfs/dbraw/zinc/95/62/65/1173956265.db2.gz SGZPZFCWNLLKRG-CMPLNLGQSA-N -1 1 297.297 1.764 20 0 CDADMM O=C(NCC[C@@H]1CC[C@H]2C[C@H]21)c1coc(-c2nnn[n-]2)c1 ZINC001593065761 1174021371 /nfs/dbraw/zinc/02/13/71/1174021371.db2.gz YOHNNLHDOQYJBP-QXEWZRGKSA-N -1 1 287.323 1.626 20 0 CDADMM O=C(NCC[C@@H]1CC[C@H]2C[C@H]21)c1coc(-c2nn[n-]n2)c1 ZINC001593065761 1174021380 /nfs/dbraw/zinc/02/13/80/1174021380.db2.gz YOHNNLHDOQYJBP-QXEWZRGKSA-N -1 1 287.323 1.626 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)C1CCC2(CC2)CC1 ZINC001593197615 1174032733 /nfs/dbraw/zinc/03/27/33/1174032733.db2.gz NSCMJWZFACKJMU-UHFFFAOYSA-N -1 1 287.327 1.499 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)C1CCC2(CC2)CC1 ZINC001593197615 1174032738 /nfs/dbraw/zinc/03/27/38/1174032738.db2.gz NSCMJWZFACKJMU-UHFFFAOYSA-N -1 1 287.327 1.499 20 0 CDADMM O=C(Nc1cc2n(n1)CCCC2)c1coc(-c2nnn[n-]2)c1 ZINC001593212141 1174035534 /nfs/dbraw/zinc/03/55/34/1174035534.db2.gz IBUYAJSZLPLFMX-UHFFFAOYSA-N -1 1 299.294 1.245 20 0 CDADMM O=C(Nc1cc2n(n1)CCCC2)c1coc(-c2nn[n-]n2)c1 ZINC001593212141 1174035540 /nfs/dbraw/zinc/03/55/40/1174035540.db2.gz IBUYAJSZLPLFMX-UHFFFAOYSA-N -1 1 299.294 1.245 20 0 CDADMM O=C(Nc1nocc1C1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593269854 1174045359 /nfs/dbraw/zinc/04/53/59/1174045359.db2.gz PUQQIAYAMWXEBY-UHFFFAOYSA-N -1 1 297.278 1.379 20 0 CDADMM O=C(Nc1nocc1C1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593269854 1174045366 /nfs/dbraw/zinc/04/53/66/1174045366.db2.gz PUQQIAYAMWXEBY-UHFFFAOYSA-N -1 1 297.278 1.379 20 0 CDADMM O=C(OC[C@@H]1C[C@@]12CCOC2)c1coc(-c2nnn[n-]2)c1 ZINC001593285000 1174050534 /nfs/dbraw/zinc/05/05/34/1174050534.db2.gz PUTOFTMZFFHANY-TVQRCGJNSA-N -1 1 290.279 1.043 20 0 CDADMM O=C(OC[C@@H]1C[C@@]12CCOC2)c1coc(-c2nn[n-]n2)c1 ZINC001593285000 1174050538 /nfs/dbraw/zinc/05/05/38/1174050538.db2.gz PUTOFTMZFFHANY-TVQRCGJNSA-N -1 1 290.279 1.043 20 0 CDADMM O=C(OCC12CCC(CC1)C2)c1ccnc(-c2nnn[n-]2)c1 ZINC001593284026 1174051419 /nfs/dbraw/zinc/05/14/19/1174051419.db2.gz XZQTWEBRWLUEHA-UHFFFAOYSA-N -1 1 299.334 1.999 20 0 CDADMM O=C(OCC12CCC(CC1)C2)c1ccnc(-c2nn[n-]n2)c1 ZINC001593284026 1174051422 /nfs/dbraw/zinc/05/14/22/1174051422.db2.gz XZQTWEBRWLUEHA-UHFFFAOYSA-N -1 1 299.334 1.999 20 0 CDADMM O=C(OCc1cnsc1)c1csc(-c2nn[n-]n2)c1 ZINC001593305324 1174061019 /nfs/dbraw/zinc/06/10/19/1174061019.db2.gz LZPQIUZZJQKPIY-UHFFFAOYSA-N -1 1 293.333 1.742 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC2(CCC2)C1 ZINC001593359030 1174070353 /nfs/dbraw/zinc/07/03/53/1174070353.db2.gz UFTVCSJHDKKRDN-UHFFFAOYSA-N -1 1 284.323 1.278 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC2(CCC2)C1 ZINC001593359030 1174070358 /nfs/dbraw/zinc/07/03/58/1174070358.db2.gz UFTVCSJHDKKRDN-UHFFFAOYSA-N -1 1 284.323 1.278 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N(CC1CC1)C1CCC1 ZINC001593366812 1174071452 /nfs/dbraw/zinc/07/14/52/1174071452.db2.gz BYVRAWVFUSPHPE-UHFFFAOYSA-N -1 1 287.323 1.864 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N(CC1CC1)C1CCC1 ZINC001593366812 1174071460 /nfs/dbraw/zinc/07/14/60/1174071460.db2.gz BYVRAWVFUSPHPE-UHFFFAOYSA-N -1 1 287.323 1.864 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CC[C@@H](C2CCC2)C1 ZINC001593358065 1174072167 /nfs/dbraw/zinc/07/21/67/1174072167.db2.gz AFIJERIOFUKZJE-GFCCVEGCSA-N -1 1 298.350 1.524 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CC[C@@H](C2CCC2)C1 ZINC001593358065 1174072172 /nfs/dbraw/zinc/07/21/72/1174072172.db2.gz AFIJERIOFUKZJE-GFCCVEGCSA-N -1 1 298.350 1.524 20 0 CDADMM OC1(C2(CNc3cccnc3-c3nnn[n-]3)CC2)CCC1 ZINC001593510721 1174092089 /nfs/dbraw/zinc/09/20/89/1174092089.db2.gz MSGGDKDVOZVALH-UHFFFAOYSA-N -1 1 286.339 1.369 20 0 CDADMM OC1(C2(CNc3cccnc3-c3nn[n-]n3)CC2)CCC1 ZINC001593510721 1174092097 /nfs/dbraw/zinc/09/20/97/1174092097.db2.gz MSGGDKDVOZVALH-UHFFFAOYSA-N -1 1 286.339 1.369 20 0 CDADMM OCC1(CNc2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001593524148 1174101259 /nfs/dbraw/zinc/10/12/59/1174101259.db2.gz VTXXIQIVOJPCQF-UHFFFAOYSA-N -1 1 286.748 1.161 20 0 CDADMM OCCN(Cc1ccccc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593532940 1174106325 /nfs/dbraw/zinc/10/63/25/1174106325.db2.gz MCGWFSVFLWLBGK-UHFFFAOYSA-N -1 1 296.334 1.261 20 0 CDADMM OCCN(Cc1ccccc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593532940 1174106327 /nfs/dbraw/zinc/10/63/27/1174106327.db2.gz MCGWFSVFLWLBGK-UHFFFAOYSA-N -1 1 296.334 1.261 20 0 CDADMM [O-][n+]1ccccc1OCc1ccc(-c2nn[n-]n2)s1 ZINC001593543820 1174111457 /nfs/dbraw/zinc/11/14/57/1174111457.db2.gz GRAXUOGJSFZPHB-UHFFFAOYSA-N -1 1 275.293 1.141 20 0 CDADMM c1cc(N2CC3(C2)CCCCC3)nc(-c2nn[n-]n2)n1 ZINC001593557795 1174130887 /nfs/dbraw/zinc/13/08/87/1174130887.db2.gz WQPOOLOGEKHCQT-UHFFFAOYSA-N -1 1 271.328 1.427 20 0 CDADMM c1nn(C2CCCC2)cc1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593561472 1174138152 /nfs/dbraw/zinc/13/81/52/1174138152.db2.gz MYVIQIJVBYJVRS-UHFFFAOYSA-N -1 1 296.338 1.739 20 0 CDADMM c1nn(C2CCCC2)cc1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593561472 1174138156 /nfs/dbraw/zinc/13/81/56/1174138156.db2.gz MYVIQIJVBYJVRS-UHFFFAOYSA-N -1 1 296.338 1.739 20 0 CDADMM c1cc(Sc2cncc(-c3nnn[n-]3)n2)cc2c1OCC2 ZINC001593566051 1174140952 /nfs/dbraw/zinc/14/09/52/1174140952.db2.gz ZWNCWPUAQREUBM-UHFFFAOYSA-N -1 1 298.331 1.743 20 0 CDADMM c1cc(Sc2cncc(-c3nn[n-]n3)n2)cc2c1OCC2 ZINC001593566051 1174140954 /nfs/dbraw/zinc/14/09/54/1174140954.db2.gz ZWNCWPUAQREUBM-UHFFFAOYSA-N -1 1 298.331 1.743 20 0 CDADMM c1cncc([C@H]2CCCN2c2cc(-c3nnn[n-]3)ncn2)c1 ZINC001593587987 1174154865 /nfs/dbraw/zinc/15/48/65/1174154865.db2.gz QXAKYUFTIUBBEL-GFCCVEGCSA-N -1 1 294.322 1.393 20 0 CDADMM c1cncc([C@H]2CCCN2c2cc(-c3nn[n-]n3)ncn2)c1 ZINC001593587987 1174154867 /nfs/dbraw/zinc/15/48/67/1174154867.db2.gz QXAKYUFTIUBBEL-GFCCVEGCSA-N -1 1 294.322 1.393 20 0 CDADMM Cc1cc(-c2noc([C@@H]([NH3+])CC(=O)[O-])n2)cc2[nH]cnc21 ZINC001600061840 1174349389 /nfs/dbraw/zinc/34/93/89/1174349389.db2.gz CFJYSTWNZSFNCE-QMMMGPOBSA-N -1 1 287.279 1.396 20 0 CDADMM Cc1ccc(CCC[N@@H+](CCC(=O)[O-])CC(=O)[O-])cn1 ZINC001600406876 1174464220 /nfs/dbraw/zinc/46/42/20/1174464220.db2.gz RHFSNULKJZIFKK-UHFFFAOYSA-N -1 1 280.324 1.184 20 0 CDADMM Cc1ccc(CN2CCC([C@@H](O)C(=O)[O-])CC2)o1 ZINC001600412814 1174468089 /nfs/dbraw/zinc/46/80/89/1174468089.db2.gz MEXKMTITKWRMIC-GFCCVEGCSA-N -1 1 253.298 1.246 20 0 CDADMM Cc1ccccc1CN1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001600579759 1174512666 /nfs/dbraw/zinc/51/26/66/1174512666.db2.gz UUPIZIZSDRLIFS-ZDUSSCGKSA-N -1 1 276.336 1.160 20 0 CDADMM Cc1cnc([C@H](C)N2CCC([C@@H](O)C(=O)[O-])CC2)cn1 ZINC001600618039 1174531379 /nfs/dbraw/zinc/53/13/79/1174531379.db2.gz CYOZAYVJHOJLIX-GXFFZTMASA-N -1 1 279.340 1.004 20 0 CDADMM Cc1nc(CC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)n[nH]1 ZINC001600670900 1174557144 /nfs/dbraw/zinc/55/71/44/1174557144.db2.gz BMZSCIRPOJOLMO-UHFFFAOYSA-N -1 1 299.290 1.474 20 0 CDADMM Cc1oc(C(=O)[O-])cc1CN[C@H]1CC(=O)N(C(C)C)C1 ZINC001600830823 1174635346 /nfs/dbraw/zinc/63/53/46/1174635346.db2.gz CFSBTGDMVOUZIF-NSHDSACASA-N -1 1 280.324 1.385 20 0 CDADMM Cc1oc(Cn2cc(CNC(C)C)nn2)cc1C(=O)[O-] ZINC001600853945 1174644929 /nfs/dbraw/zinc/64/49/29/1174644929.db2.gz KQJYLPLZQSDPQN-UHFFFAOYSA-N -1 1 278.312 1.424 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2ccc(F)c(F)c2O)no1 ZINC001601606903 1174912686 /nfs/dbraw/zinc/91/26/86/1174912686.db2.gz NKWCPZPPLQSLRU-UHFFFAOYSA-N -1 1 284.174 1.609 20 0 CDADMM O=C([O-])CN(C(=O)c1cc(F)cc(F)c1O)C1CC1 ZINC001602050807 1175119294 /nfs/dbraw/zinc/11/92/94/1175119294.db2.gz XMTJPNISVXLLKJ-UHFFFAOYSA-N -1 1 271.219 1.360 20 0 CDADMM O=C([O-])[C@@H]1CN(CN2CCOC2=O)C[C@@H]1c1ccccc1 ZINC001602189192 1175155999 /nfs/dbraw/zinc/15/59/99/1175155999.db2.gz SUOUVMNERKKUFS-CHWSQXEVSA-N -1 1 290.319 1.196 20 0 CDADMM O=C([O-])[C@@H]1OCC[C@@H]1NCc1nc2c(s1)CCCC2 ZINC001602203197 1175162559 /nfs/dbraw/zinc/16/25/59/1175162559.db2.gz YMPQEXQXRWXUIG-JOYOIKCWSA-N -1 1 282.365 1.354 20 0 CDADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(F)nc2)cn1 ZINC001602401825 1175232656 /nfs/dbraw/zinc/23/26/56/1175232656.db2.gz BNTXBWGKZPBMPA-UHFFFAOYSA-N -1 1 297.267 1.115 20 0 CDADMM C=Cn1cc(CNCc2ccccc2CC(=O)[O-])cn1 ZINC001602945342 1175454730 /nfs/dbraw/zinc/45/47/30/1175454730.db2.gz HGFFWMPFRMHNFP-UHFFFAOYSA-N -1 1 271.320 1.901 20 0 CDADMM CC(C)(C)OC(=O)CSc1cc(-c2nnn[n-]2)ncn1 ZINC001603085687 1175489273 /nfs/dbraw/zinc/48/92/73/1175489273.db2.gz ZNERDQIAYMSZAA-UHFFFAOYSA-N -1 1 294.340 1.091 20 0 CDADMM CC(C)(C)OC(=O)CSc1cc(-c2nn[n-]n2)ncn1 ZINC001603085687 1175489275 /nfs/dbraw/zinc/48/92/75/1175489275.db2.gz ZNERDQIAYMSZAA-UHFFFAOYSA-N -1 1 294.340 1.091 20 0 CDADMM CC(=O)c1ccc(O)c(NC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC001603112786 1175493447 /nfs/dbraw/zinc/49/34/47/1175493447.db2.gz YSSLOQIYPAZGAR-DTWKUNHWSA-N -1 1 263.249 1.254 20 0 CDADMM CC(C)(C)c1n[nH]cc1C=Cc1cnc(-c2nnn[n-]2)cn1 ZINC001603122679 1175494802 /nfs/dbraw/zinc/49/48/02/1175494802.db2.gz SHWZVSKQPWZRTI-PLNGDYQASA-N -1 1 296.338 1.848 20 0 CDADMM CC(C)(C)c1n[nH]cc1C=Cc1cnc(-c2nn[n-]n2)cn1 ZINC001603122679 1175494807 /nfs/dbraw/zinc/49/48/07/1175494807.db2.gz SHWZVSKQPWZRTI-PLNGDYQASA-N -1 1 296.338 1.848 20 0 CDADMM CC(C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])=C1CCCC1 ZINC001603173737 1175509105 /nfs/dbraw/zinc/50/91/05/1175509105.db2.gz SGOBDPVRPDVZIO-LBPRGKRZSA-N -1 1 277.324 1.412 20 0 CDADMM CC(C)CC1(CNc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001603271006 1175530563 /nfs/dbraw/zinc/53/05/63/1175530563.db2.gz HQWSOILNXAUYGU-UHFFFAOYSA-N -1 1 287.371 1.707 20 0 CDADMM CC(C)COC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001603298491 1175534482 /nfs/dbraw/zinc/53/44/82/1175534482.db2.gz SDFTVJYJDJCVPX-UHFFFAOYSA-N -1 1 252.299 1.741 20 0 CDADMM CC(C)COC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603298491 1175534487 /nfs/dbraw/zinc/53/44/87/1175534487.db2.gz SDFTVJYJDJCVPX-UHFFFAOYSA-N -1 1 252.299 1.741 20 0 CDADMM C[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)C1CCC1 ZINC001603648055 1175586986 /nfs/dbraw/zinc/58/69/86/1175586986.db2.gz CUUWTKZQTFKZNR-ZETCQYMHSA-N -1 1 261.285 1.378 20 0 CDADMM C[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)C1CCC1 ZINC001603648055 1175586988 /nfs/dbraw/zinc/58/69/88/1175586988.db2.gz CUUWTKZQTFKZNR-ZETCQYMHSA-N -1 1 261.285 1.378 20 0 CDADMM C[C@H](NCc1cccc(-c2nnn[n-]2)n1)C(F)F ZINC001603668183 1175592483 /nfs/dbraw/zinc/59/24/83/1175592483.db2.gz RCJRRTCYBDPDLD-LURJTMIESA-N -1 1 254.244 1.005 20 0 CDADMM C[C@H](NCc1cccc(-c2nn[n-]n2)n1)C(F)F ZINC001603668183 1175592489 /nfs/dbraw/zinc/59/24/89/1175592489.db2.gz RCJRRTCYBDPDLD-LURJTMIESA-N -1 1 254.244 1.005 20 0 CDADMM CC(C)[C@@H]1CCN(CN2CCC[C@@](C)(C(=O)[O-])C2)C1=O ZINC001603757690 1175620244 /nfs/dbraw/zinc/62/02/44/1175620244.db2.gz WQWRUAUXHRONJC-SWLSCSKDSA-N -1 1 282.384 1.635 20 0 CDADMM CC1=C[C@@H](C)CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001603828361 1175646599 /nfs/dbraw/zinc/64/65/99/1175646599.db2.gz QWSIPBYJMAVLJP-MRVPVSSYSA-N -1 1 289.364 1.966 20 0 CDADMM CC1=C[C@@H](C)CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001603828361 1175646605 /nfs/dbraw/zinc/64/66/05/1175646605.db2.gz QWSIPBYJMAVLJP-MRVPVSSYSA-N -1 1 289.364 1.966 20 0 CDADMM C[C@H]1CC[C@H](COC(=O)c2ccc(-c3nn[n-]n3)o2)O1 ZINC001603878533 1175666903 /nfs/dbraw/zinc/66/69/03/1175666903.db2.gz TXNFNMSXVHMOLE-JGVFFNPUSA-N -1 1 278.268 1.184 20 0 CDADMM CC(C)NC(=O)CN[C@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001603900667 1175678065 /nfs/dbraw/zinc/67/80/65/1175678065.db2.gz UPQPXSIFWZZNCX-OAHLLOKOSA-N -1 1 296.342 1.326 20 0 CDADMM CC[C@@](C)(CNc1ccc(C)nc1-c1nnn[n-]1)OC ZINC001603986508 1175707980 /nfs/dbraw/zinc/70/79/80/1175707980.db2.gz CTVJWSXLCKRTGJ-ZDUSSCGKSA-N -1 1 276.344 1.797 20 0 CDADMM CC[C@@](C)(CNc1ccc(C)nc1-c1nn[n-]n1)OC ZINC001603986508 1175707989 /nfs/dbraw/zinc/70/79/89/1175707989.db2.gz CTVJWSXLCKRTGJ-ZDUSSCGKSA-N -1 1 276.344 1.797 20 0 CDADMM CC(C)c1nnc(CN[C@@H]2CCC[C@@H]2C(=O)[O-])o1 ZINC001604021351 1175724002 /nfs/dbraw/zinc/72/40/02/1175724002.db2.gz YBYFVJUXGQYBEY-DTWKUNHWSA-N -1 1 253.302 1.536 20 0 CDADMM CC[C@@H](CCOC)OC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001604030288 1175725967 /nfs/dbraw/zinc/72/59/67/1175725967.db2.gz RIAIRNGGXWIGMZ-VIFPVBQESA-N -1 1 296.352 1.900 20 0 CDADMM CC[C@@H](CCOC)OC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001604030288 1175725977 /nfs/dbraw/zinc/72/59/77/1175725977.db2.gz RIAIRNGGXWIGMZ-VIFPVBQESA-N -1 1 296.352 1.900 20 0 CDADMM CC(C)(CCO)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000142531076 1177893042 /nfs/dbraw/zinc/89/30/42/1177893042.db2.gz OFTAUOYBKLIEGL-UHFFFAOYSA-N -1 1 297.298 1.543 20 0 CDADMM C[C@H](NC(=O)c1ccc([O-])cc1F)[C@H](C)N1CCOCC1 ZINC000163242924 1180415747 /nfs/dbraw/zinc/41/57/47/1180415747.db2.gz AEWZTMJEKVIHFN-QWRGUYRKSA-N -1 1 296.342 1.370 20 0 CDADMM CC(=O)OC1CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000165310947 1180983111 /nfs/dbraw/zinc/98/31/11/1180983111.db2.gz QQAZZAABJJQLCS-UHFFFAOYSA-N -1 1 281.283 1.699 20 0 CDADMM CN(C[C@H](O)C1CC1)C(=O)c1ccc([O-])cc1F ZINC000165371029 1180991945 /nfs/dbraw/zinc/99/19/45/1180991945.db2.gz YDCXUQAHRJQHSZ-LBPRGKRZSA-N -1 1 253.273 1.374 20 0 CDADMM Cc1nc(CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)oc1C ZINC000310703928 1186674607 /nfs/dbraw/zinc/67/46/07/1186674607.db2.gz BQRKWQOBIUSJRS-KWQFWETISA-N -1 1 252.314 1.834 20 0 CDADMM O=C(Nc1cccc(CCO)c1)c1cncc([O-])c1 ZINC000313160533 1186708250 /nfs/dbraw/zinc/70/82/50/1186708250.db2.gz XBNKGAYNXWRXDE-UHFFFAOYSA-N -1 1 258.277 1.574 20 0 CDADMM Cc1ccc(CNC(=O)c2cncc([O-])c2)nc1C ZINC000313859015 1186717069 /nfs/dbraw/zinc/71/70/69/1186717069.db2.gz 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281.678 1.734 20 0 CDADMM O=C(Nc1nn[n-]n1)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000077021549 177153855 /nfs/dbraw/zinc/15/38/55/177153855.db2.gz COEVGADTAZQQOD-WDSKDSINSA-N -1 1 281.678 1.734 20 0 CDADMM C[C@H](CS(C)(=O)=O)NC(=O)c1cc(Cl)ccc1[O-] ZINC000078637049 177362855 /nfs/dbraw/zinc/36/28/55/177362855.db2.gz NZPQFHWNVJJSRY-SSDOTTSWSA-N -1 1 291.756 1.209 20 0 CDADMM CC(=O)CCCCCn1c(C)c(C)nc1-c1nnn[n-]1 ZINC001588792148 1173109739 /nfs/dbraw/zinc/10/97/39/1173109739.db2.gz WBOVCBADUIKPJL-UHFFFAOYSA-N -1 1 276.344 1.829 20 0 CDADMM CC(=O)CCCCCn1c(C)c(C)nc1-c1nn[n-]n1 ZINC001588792148 1173109741 /nfs/dbraw/zinc/10/97/41/1173109741.db2.gz WBOVCBADUIKPJL-UHFFFAOYSA-N -1 1 276.344 1.829 20 0 CDADMM CC(C)=CC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001589370836 1173139215 /nfs/dbraw/zinc/13/92/15/1173139215.db2.gz FNNPJIDZRXZIDX-UHFFFAOYSA-N -1 1 289.343 1.723 20 0 CDADMM CC(C)=CC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001589370836 1173139219 /nfs/dbraw/zinc/13/92/19/1173139219.db2.gz FNNPJIDZRXZIDX-UHFFFAOYSA-N -1 1 289.343 1.723 20 0 CDADMM CC(C)[C@H](O)CCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001589480377 1173148472 /nfs/dbraw/zinc/14/84/72/1173148472.db2.gz MDXQZTNEVBMUCH-SECBINFHSA-N -1 1 296.762 1.734 20 0 CDADMM CC(C)[C@H](O)CCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001589480377 1173148475 /nfs/dbraw/zinc/14/84/75/1173148475.db2.gz MDXQZTNEVBMUCH-SECBINFHSA-N -1 1 296.762 1.734 20 0 CDADMM O=S(=O)([N-][C@H](CO)CCF)c1ccc(Cl)s1 ZINC000651896341 423874540 /nfs/dbraw/zinc/87/45/40/423874540.db2.gz PDJGIRNOMCOWRV-LURJTMIESA-N -1 1 287.765 1.400 20 0 CDADMM C[C@H](CNC(=O)[C@@H](C)N(C)Cc1ccccc1)C(=O)[O-] ZINC000655561228 424004939 /nfs/dbraw/zinc/00/49/39/424004939.db2.gz XIJXKBZDKGXMKF-VXGBXAGGSA-N -1 1 278.352 1.344 20 0 CDADMM O=C([O-])CN(C(=O)c1ccc2cncn2c1)C1CCC1 ZINC000655587892 424110945 /nfs/dbraw/zinc/11/09/45/424110945.db2.gz OTMOGICTGGJABB-UHFFFAOYSA-N -1 1 273.292 1.414 20 0 CDADMM COC[C@H]1C[C@@H](O)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000652824830 424259361 /nfs/dbraw/zinc/25/93/61/424259361.db2.gz DSXCJDJLVWLHHN-NXEZZACHSA-N -1 1 285.727 1.267 20 0 CDADMM C[C@@H](O)C1(Nc2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001589995301 1173228157 /nfs/dbraw/zinc/22/81/57/1173228157.db2.gz JVLMEIMYWSRWMY-SCSAIBSYSA-N -1 1 286.748 1.302 20 0 CDADMM CC(C)(C)c1nc(CN2CCC[C@@]2(C)C(=O)[O-])n[nH]1 ZINC000652480393 424484308 /nfs/dbraw/zinc/48/43/08/424484308.db2.gz DNCDYNKZBIYTIC-ZDUSSCGKSA-N -1 1 266.345 1.541 20 0 CDADMM O=C([O-])C[C@@H]1COCCN1C[C@H](O)C1CCCCC1 ZINC000652475728 424470626 /nfs/dbraw/zinc/47/06/26/424470626.db2.gz FMXQKNRFERSQJO-OLZOCXBDSA-N -1 1 271.357 1.103 20 0 CDADMM O=C([O-])C[C@@H]1CN(C[C@H](O)C2CCCCC2)CCO1 ZINC000652479677 424471563 /nfs/dbraw/zinc/47/15/63/424471563.db2.gz WKRUPSRQMAGWHZ-OLZOCXBDSA-N -1 1 271.357 1.103 20 0 CDADMM CCc1ccccc1CCN1CCOC[C@@H]1CC(=O)[O-] ZINC000652475505 424472079 /nfs/dbraw/zinc/47/20/79/424472079.db2.gz ZQUUXGUDKHFLDG-HNNXBMFYSA-N -1 1 277.364 1.967 20 0 CDADMM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc2[nH]nnc2c1 ZINC000653303681 424534393 /nfs/dbraw/zinc/53/43/93/424534393.db2.gz WZZPSSCJGORQPQ-UHFFFAOYSA-N -1 1 276.296 1.787 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000653316627 424565049 /nfs/dbraw/zinc/56/50/49/424565049.db2.gz SQKXMCVZYDLRGG-PRHODGIISA-N -1 1 289.291 1.747 20 0 CDADMM CC1(C)CC[C@H]1C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001590093070 1173254212 /nfs/dbraw/zinc/25/42/12/1173254212.db2.gz NDMIVSKOZYWDDX-VIFPVBQESA-N -1 1 276.296 1.939 20 0 CDADMM CC1(C)CC[C@H]1C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001590093070 1173254213 /nfs/dbraw/zinc/25/42/13/1173254213.db2.gz NDMIVSKOZYWDDX-VIFPVBQESA-N -1 1 276.296 1.939 20 0 CDADMM CC1(NC(=O)c2csc(-c3nn[n-]n3)c2)CC=CC1 ZINC001590146992 1173271723 /nfs/dbraw/zinc/27/17/23/1173271723.db2.gz PJWBSKWDQQOBIV-UHFFFAOYSA-N -1 1 275.337 1.767 20 0 CDADMM C[C@@H]1CC[C@H](CN=c2nc(C(F)(F)F)[n-]s2)O1 ZINC000397885120 270352379 /nfs/dbraw/zinc/35/23/79/270352379.db2.gz IJCYCDUMCSGKBO-PHDIDXHHSA-N -1 1 267.276 1.958 20 0 CDADMM C[C@@H]1COCCCN1C(=O)c1ccsc1-c1nnn[n-]1 ZINC001590326338 1173357350 /nfs/dbraw/zinc/35/73/50/1173357350.db2.gz OOHODSYTWHUEEK-MRVPVSSYSA-N -1 1 293.352 1.179 20 0 CDADMM C[C@@H]1COCCCN1C(=O)c1ccsc1-c1nn[n-]n1 ZINC001590326338 1173357357 /nfs/dbraw/zinc/35/73/57/1173357357.db2.gz OOHODSYTWHUEEK-MRVPVSSYSA-N -1 1 293.352 1.179 20 0 CDADMM CC[C@H](C(=O)[O-])N(C)Cc1cc(-c2nn[nH]n2)cs1 ZINC001590370649 1173378227 /nfs/dbraw/zinc/37/82/27/1173378227.db2.gz JGBAXLAUIIQMOW-SECBINFHSA-N -1 1 281.341 1.223 20 0 CDADMM CC1(C)C(=O)NCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000106359116 276098462 /nfs/dbraw/zinc/09/84/62/276098462.db2.gz UZZOWTZLIREKND-UHFFFAOYSA-N -1 1 298.342 1.896 20 0 CDADMM CC[C@H](C)CC(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001590406283 1173392685 /nfs/dbraw/zinc/39/26/85/1173392685.db2.gz LIVHFOIFWKTLQN-ZETCQYMHSA-N -1 1 277.332 1.283 20 0 CDADMM CC[C@H](C)CC(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001590406283 1173392693 /nfs/dbraw/zinc/39/26/93/1173392693.db2.gz LIVHFOIFWKTLQN-ZETCQYMHSA-N -1 1 277.332 1.283 20 0 CDADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000416161069 277791827 /nfs/dbraw/zinc/79/18/27/277791827.db2.gz ZKPNVANQIGGJTN-HTQZYQBOSA-N -1 1 295.339 1.451 20 0 CDADMM CC[C@@H](C)CN(CC)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590411375 1173400271 /nfs/dbraw/zinc/40/02/71/1173400271.db2.gz WRIHRQALWAARBE-SECBINFHSA-N -1 1 277.328 1.968 20 0 CDADMM CC[C@@H](C)CN(CC)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590411375 1173400277 /nfs/dbraw/zinc/40/02/77/1173400277.db2.gz WRIHRQALWAARBE-SECBINFHSA-N -1 1 277.328 1.968 20 0 CDADMM COC(=O)[C@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084936339 279249026 /nfs/dbraw/zinc/24/90/26/279249026.db2.gz XCOUKPUPWNBWLA-QMMMGPOBSA-N -1 1 283.305 1.273 20 0 CDADMM CCC(CC)NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590435948 1173408152 /nfs/dbraw/zinc/40/81/52/1173408152.db2.gz URWOSLHJAOZRFC-UHFFFAOYSA-N -1 1 294.384 1.916 20 0 CDADMM CC[C@H](CCO)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001590439247 1173408243 /nfs/dbraw/zinc/40/82/43/1173408243.db2.gz MIBYYSPWHZUAPV-RXMQYKEDSA-N -1 1 288.764 1.550 20 0 CDADMM COc1cccc([C@@H](CNC(=O)[C@H](C)C(=O)[O-])N(C)C)c1 ZINC000229323293 280111183 /nfs/dbraw/zinc/11/11/83/280111183.db2.gz JQNHWIIDAXJANZ-GXFFZTMASA-N -1 1 294.351 1.135 20 0 CDADMM Cc1cc([N-]S(=O)(=O)c2ccco2)c[nH]c1=O ZINC000527357446 281131615 /nfs/dbraw/zinc/13/16/15/281131615.db2.gz CZPMTADXSQVJAD-UHFFFAOYSA-N -1 1 254.267 1.489 20 0 CDADMM CC[C@H]1C[C@@H](C(=O)Nc2cccc(F)c2[O-])CC(=O)N1 ZINC000530004152 281412711 /nfs/dbraw/zinc/41/27/11/281412711.db2.gz CDOVWGMMXJCVBR-BDAKNGLRSA-N -1 1 280.299 1.775 20 0 CDADMM CC[C@H](O)CSc1cccc(F)c1-c1nn[n-]n1 ZINC001590477786 1173426710 /nfs/dbraw/zinc/42/67/10/1173426710.db2.gz ZHSOUUMRZAXWNU-ZETCQYMHSA-N -1 1 268.317 1.869 20 0 CDADMM CC[C@H](O)CCNc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001590477553 1173427692 /nfs/dbraw/zinc/42/76/92/1173427692.db2.gz VFQHNLDRDSKHGB-JTQLQIEISA-N -1 1 262.317 1.143 20 0 CDADMM CC[C@H](O)CCNc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001590477553 1173427699 /nfs/dbraw/zinc/42/76/99/1173427699.db2.gz VFQHNLDRDSKHGB-JTQLQIEISA-N -1 1 262.317 1.143 20 0 CDADMM Cc1nc(CS(=O)(=O)c2n[n-]c(C3CC3)n2)c(C)s1 ZINC000532765772 282035788 /nfs/dbraw/zinc/03/57/88/282035788.db2.gz UCCNOOZZYVFQOW-UHFFFAOYSA-N -1 1 298.393 1.729 20 0 CDADMM C[C@H](CO[C@H]1CCOC1)NC(=O)c1cc(F)ccc1[O-] ZINC000150953773 289077552 /nfs/dbraw/zinc/07/75/52/289077552.db2.gz OBRMLJIUYXTWJA-KOLCDFICSA-N -1 1 283.299 1.455 20 0 CDADMM C[C@@]12CCN(C(=O)c3cncc([O-])c3)C[C@@H]1C2(F)F ZINC000294796610 289226633 /nfs/dbraw/zinc/22/66/33/289226633.db2.gz TXHSHDSRUHNIPR-CMPLNLGQSA-N -1 1 268.263 1.905 20 0 CDADMM Cc1cc(F)cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1 ZINC000155479392 289240531 /nfs/dbraw/zinc/24/05/31/289240531.db2.gz SWLPYEXTNHMYSI-SNVBAGLBSA-N -1 1 289.314 1.667 20 0 CDADMM C[C@]1(C[N-]S(=O)(=O)c2cc(F)ccc2F)CCCO1 ZINC000156143462 289258686 /nfs/dbraw/zinc/25/86/86/289258686.db2.gz CANAGVHTXWFMJX-GFCCVEGCSA-N -1 1 291.319 1.812 20 0 CDADMM C[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2[O-])CC(=O)N1 ZINC000541723623 289508437 /nfs/dbraw/zinc/50/84/37/289508437.db2.gz LVRQFAQPTROIFV-JGVFFNPUSA-N -1 1 266.272 1.385 20 0 CDADMM CCc1cc(C[N-]S(=O)(=O)c2cncc(OC)c2)on1 ZINC000543244112 289583864 /nfs/dbraw/zinc/58/38/64/289583864.db2.gz SILNXNKNVOVYFY-UHFFFAOYSA-N -1 1 297.336 1.119 20 0 CDADMM CC1(C)CCCC[C@@H]1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000546147276 289721909 /nfs/dbraw/zinc/72/19/09/289721909.db2.gz HRBOJYHPOIHZAY-JTQLQIEISA-N -1 1 289.339 1.116 20 0 CDADMM C[C@]1(CNC(=O)c2cncc([O-])c2)CCO[C@@H]1C1CC1 ZINC000547371225 289767952 /nfs/dbraw/zinc/76/79/52/289767952.db2.gz NANBGXWWHADRNF-UKRRQHHQSA-N -1 1 276.336 1.722 20 0 CDADMM CCCc1nc(=NC[C@H]2CCCCS2(=O)=O)s[n-]1 ZINC000562274054 293124105 /nfs/dbraw/zinc/12/41/05/293124105.db2.gz TUQTWTBVDSOODG-SECBINFHSA-N -1 1 289.426 1.292 20 0 CDADMM CC(C)[C@@H](C(=O)[O-])C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000563210027 293312244 /nfs/dbraw/zinc/31/22/44/293312244.db2.gz GQXPMSTXNLCVLB-VXGBXAGGSA-N -1 1 298.408 1.824 20 0 CDADMM C[C@H](CN(C)C(=O)[C@H]1CCc2ccccc2C1)c1nn[n-]n1 ZINC000563250551 293325269 /nfs/dbraw/zinc/32/52/69/293325269.db2.gz NFAUJOIKDAXDCP-RISCZKNCSA-N -1 1 299.378 1.567 20 0 CDADMM CC(C)(C)c1nnc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])[nH]1 ZINC000563288763 293335629 /nfs/dbraw/zinc/33/56/29/293335629.db2.gz OPQXKPZLAIXJCL-UMNHJUIQSA-N -1 1 292.383 1.787 20 0 CDADMM C[C@@H](C(=O)[O-])C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000567844579 293886952 /nfs/dbraw/zinc/88/69/52/293886952.db2.gz SHXPSDJORXQGRH-SKDRFNHKSA-N -1 1 282.315 1.265 20 0 CDADMM CCCC[C@@](C)(F)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001590574899 1173469022 /nfs/dbraw/zinc/46/90/22/1173469022.db2.gz PCDBDVHSUDZQEL-LLVKDONJSA-N -1 1 281.295 1.204 20 0 CDADMM CCCc1nc(=NC[C@H](CC2CC2)C(=O)OC)s[n-]1 ZINC000570727207 294297729 /nfs/dbraw/zinc/29/77/29/294297729.db2.gz UNPQPCOHGIXQRM-JTQLQIEISA-N -1 1 283.397 1.914 20 0 CDADMM CCCCCSc1ccnc(-c2nn[n-]n2)n1 ZINC001590598299 1173473144 /nfs/dbraw/zinc/47/31/44/1173473144.db2.gz 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/nfs/dbraw/zinc/20/50/88/298205088.db2.gz GXRDXNJKHOPXFA-MRVPVSSYSA-N -1 1 273.292 1.641 20 0 CDADMM CC[C@@H]1CC[C@@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590857726 1173527409 /nfs/dbraw/zinc/52/74/09/1173527409.db2.gz GSDACULPOLQRHK-NXEZZACHSA-N -1 1 273.344 1.672 20 0 CDADMM CC[C@@H]1CC[C@@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590857726 1173527419 /nfs/dbraw/zinc/52/74/19/1173527419.db2.gz GSDACULPOLQRHK-NXEZZACHSA-N -1 1 273.344 1.672 20 0 CDADMM Cc1cc(C(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])n[nH]1 ZINC000124980700 301115594 /nfs/dbraw/zinc/11/55/94/301115594.db2.gz IHIRRFYYNFHCES-OIBJUYFYSA-N -1 1 251.286 1.043 20 0 CDADMM COC(C)(C)C[C@H](C)Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591315745 1173601604 /nfs/dbraw/zinc/60/16/04/1173601604.db2.gz DJHKNAQKDIEDCO-QMMMGPOBSA-N -1 1 291.359 1.581 20 0 CDADMM COC(C)(C)C[C@H](C)Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591315745 1173601609 /nfs/dbraw/zinc/60/16/09/1173601609.db2.gz DJHKNAQKDIEDCO-QMMMGPOBSA-N -1 1 291.359 1.581 20 0 CDADMM 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/nfs/dbraw/zinc/42/21/02/1174422102.db2.gz LBMVCDHXJOWSKZ-KXUCPTDWSA-N -1 1 281.312 1.105 20 0 CDADMM CCn1cc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cn1 ZINC000417574269 536074014 /nfs/dbraw/zinc/07/40/14/536074014.db2.gz RRGKDDMVZDPVOX-ZDUSSCGKSA-N -1 1 277.299 1.958 20 0 CDADMM CCc1cc(C(=O)N2CCC[C@@]2(C)C(=O)[O-])n[nH]1 ZINC000263386095 536107511 /nfs/dbraw/zinc/10/75/11/536107511.db2.gz BZCWAZLDYJDKHT-LBPRGKRZSA-N -1 1 251.286 1.051 20 0 CDADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CC[C@H](C)C1 ZINC001600355505 1174451288 /nfs/dbraw/zinc/45/12/88/1174451288.db2.gz VLHNRQJSMMWDDC-JTQLQIEISA-N -1 1 276.336 1.974 20 0 CDADMM Cc1nc(CC(=O)Nc2ccc(C(=O)[O-])c(F)c2)n[nH]1 ZINC001600671661 1174557882 /nfs/dbraw/zinc/55/78/82/1174557882.db2.gz SIQOVPKVSWNXIK-UHFFFAOYSA-N -1 1 278.243 1.132 20 0 CDADMM Cc1ncc(CNCc2c[nH]c(C(=O)[O-])c2)s1 ZINC001600737742 1174584947 /nfs/dbraw/zinc/58/49/47/1174584947.db2.gz XZZYQRWOUJOFJN-UHFFFAOYSA-N -1 1 251.311 1.768 20 0 CDADMM Cc1nnc(CN2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)o1 ZINC001600794294 1174612934 /nfs/dbraw/zinc/61/29/34/1174612934.db2.gz PRBCBQLVMYDNFP-DIYOJNKTSA-N -1 1 253.302 1.452 20 0 CDADMM Cc1oc(CN(C)C[C@@H](O)CC(C)(C)O)cc1C(=O)[O-] ZINC001600843039 1174638265 /nfs/dbraw/zinc/63/82/65/1174638265.db2.gz WHECKXMSEMLKJX-JTQLQIEISA-N -1 1 285.340 1.240 20 0 CDADMM Cc1oc(CN2CCN(C)CC2(C)C)cc1C(=O)[O-] ZINC001600844919 1174639408 /nfs/dbraw/zinc/63/94/08/1174639408.db2.gz ZNWDIUXWIWILIK-UHFFFAOYSA-N -1 1 266.341 1.812 20 0 CDADMM Cc1occc1CN1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001600861622 1174646492 /nfs/dbraw/zinc/64/64/92/1174646492.db2.gz MVHHGGDJIDGIGA-NSHDSACASA-N -1 1 276.296 1.325 20 0 CDADMM COC1(CNC(=O)c2cc(Cl)ccc2[O-])CCOCC1 ZINC000159319611 574479265 /nfs/dbraw/zinc/47/92/65/574479265.db2.gz BYHRIDJLQNVMQC-UHFFFAOYSA-N -1 1 299.754 1.971 20 0 CDADMM CC(C)(C)[C@@H](O)CNc1cccc(-c2nnn[n-]2)n1 ZINC000735596639 575488921 /nfs/dbraw/zinc/48/89/21/575488921.db2.gz LGVWUBJJBMAEOT-VIFPVBQESA-N -1 1 262.317 1.081 20 0 CDADMM CC(C)(C)[C@@H](O)CNc1cccc(-c2nn[n-]n2)n1 ZINC000735596639 575488924 /nfs/dbraw/zinc/48/89/24/575488924.db2.gz LGVWUBJJBMAEOT-VIFPVBQESA-N -1 1 262.317 1.081 20 0 CDADMM CCC(CC)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736346178 575630773 /nfs/dbraw/zinc/63/07/73/575630773.db2.gz SZKWZCIHBIDDHC-UHFFFAOYSA-N -1 1 260.301 1.180 20 0 CDADMM CCC(CC)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736346178 575630776 /nfs/dbraw/zinc/63/07/76/575630776.db2.gz SZKWZCIHBIDDHC-UHFFFAOYSA-N -1 1 260.301 1.180 20 0 CDADMM CCCN1CCC[C@@H]1C(=O)NCc1nc(C(=O)[O-])cs1 ZINC000737827702 575153148 /nfs/dbraw/zinc/15/31/48/575153148.db2.gz DVXPOGHXODCWAA-SNVBAGLBSA-N -1 1 297.380 1.332 20 0 CDADMM CC(C)N1CC[C@@H](NC(=O)c2c([O-])cccc2Cl)C1=O ZINC000734176640 575160262 /nfs/dbraw/zinc/16/02/62/575160262.db2.gz FQSDUTZGRWATJK-SNVBAGLBSA-N -1 1 296.754 1.785 20 0 CDADMM CC(C)[C@H](O)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000735736572 575502873 /nfs/dbraw/zinc/50/28/73/575502873.db2.gz XQBJLSUUQGKQFK-LLVKDONJSA-N -1 1 299.338 1.239 20 0 CDADMM CC(C)[C@H](O)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000735736572 575502874 /nfs/dbraw/zinc/50/28/74/575502874.db2.gz XQBJLSUUQGKQFK-LLVKDONJSA-N -1 1 299.338 1.239 20 0 CDADMM CC(C)C[C@@H](C)CC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000735760801 575508321 /nfs/dbraw/zinc/50/83/21/575508321.db2.gz HGUZTKVZVHYXIZ-LLVKDONJSA-N -1 1 279.388 1.978 20 0 CDADMM CC(C)C[C@H](C)CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000735761385 575508569 /nfs/dbraw/zinc/50/85/69/575508569.db2.gz NKWVVOZLYVTUKY-QMMMGPOBSA-N -1 1 277.332 1.358 20 0 CDADMM CC(C)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000735851431 575519607 /nfs/dbraw/zinc/51/96/07/575519607.db2.gz UQMSLDFOPKEJPX-UHFFFAOYSA-N -1 1 269.308 1.838 20 0 CDADMM C[C@H]1C[C@@H]1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736236854 575598472 /nfs/dbraw/zinc/59/84/72/575598472.db2.gz LYHQJVOZONBJBN-DTWKUNHWSA-N -1 1 281.323 1.878 20 0 CDADMM C[C@H]1C[C@@H]1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736236854 575598475 /nfs/dbraw/zinc/59/84/75/575598475.db2.gz LYHQJVOZONBJBN-DTWKUNHWSA-N -1 1 281.323 1.878 20 0 CDADMM CC(C)(NC(=O)c1ccc(Nc2ccncc2)cc1)C(=O)[O-] ZINC000736338808 575627246 /nfs/dbraw/zinc/62/72/46/575627246.db2.gz DQBGSDLUWYXTEQ-UHFFFAOYSA-N -1 1 299.330 1.840 20 0 CDADMM CCC[C@H](O)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736434671 575659736 /nfs/dbraw/zinc/65/97/36/575659736.db2.gz HFRGREUWSODEID-VIFPVBQESA-N -1 1 299.338 1.383 20 0 CDADMM CCC[C@H](O)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736434671 575659738 /nfs/dbraw/zinc/65/97/38/575659738.db2.gz HFRGREUWSODEID-VIFPVBQESA-N -1 1 299.338 1.383 20 0 CDADMM CC(C)c1cnc(CN(C)[C@H]2CC[N@@H+](CCC(=O)[O-])C2)o1 ZINC000736522526 575679674 /nfs/dbraw/zinc/67/96/74/575679674.db2.gz HJJZRPRJGLIUMM-LBPRGKRZSA-N -1 1 295.383 1.779 20 0 CDADMM CC[C@H](C)[C@H](NC(=O)C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C)C(=O)[O-] ZINC000736880046 575768889 /nfs/dbraw/zinc/76/88/89/575768889.db2.gz TZWHJEZBGGNUEU-KQXIARHKSA-N -1 1 282.384 1.190 20 0 CDADMM CC[C@H](C)[C@H](NC(=O)CN1C[C@@H]2[C@H](C1)C2(C)C)C(=O)[O-] ZINC000736880046 575768892 /nfs/dbraw/zinc/76/88/92/575768892.db2.gz TZWHJEZBGGNUEU-KQXIARHKSA-N -1 1 282.384 1.190 20 0 CDADMM Cc1ccc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1 ZINC000773165640 575787785 /nfs/dbraw/zinc/78/77/85/575787785.db2.gz ZWVZBBIBSZARJV-NSHDSACASA-N -1 1 289.364 1.438 20 0 CDADMM CCCN(C)CC(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC000737007090 575791343 /nfs/dbraw/zinc/79/13/43/575791343.db2.gz BFSOIUSAPJTCHA-UHFFFAOYSA-N -1 1 253.302 1.302 20 0 CDADMM COCCCNC(=O)[C@@H](C)OC(=O)c1ccc([O-])cc1F ZINC000773567003 575826521 /nfs/dbraw/zinc/82/65/21/575826521.db2.gz RQNZVHNAFUBWNG-SECBINFHSA-N -1 1 299.298 1.229 20 0 CDADMM Cc1noc(COC(=O)c2ccc([O-])cc2F)n1 ZINC000773578193 575827062 /nfs/dbraw/zinc/82/70/62/575827062.db2.gz FIVQDUPPAHETIV-UHFFFAOYSA-N -1 1 252.201 1.580 20 0 CDADMM Cc1ccc(CCNc2nccnc2-c2nnn[n-]2)cc1 ZINC000737337979 575942882 /nfs/dbraw/zinc/94/28/82/575942882.db2.gz VSXZYQCBLZUEFB-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1ccc(CCNc2nccnc2-c2nn[n-]n2)cc1 ZINC000737337979 575942885 /nfs/dbraw/zinc/94/28/85/575942885.db2.gz VSXZYQCBLZUEFB-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM CN(C)CC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000737361813 575947048 /nfs/dbraw/zinc/94/70/48/575947048.db2.gz VZTNZJZKQRGTAP-UHFFFAOYSA-N -1 1 292.360 1.777 20 0 CDADMM CN1CCC[C@@H]1C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000737518601 575981743 /nfs/dbraw/zinc/98/17/43/575981743.db2.gz DLHYRWWEFYFKOM-KGLIPLIRSA-N -1 1 288.347 1.119 20 0 CDADMM CN1CCC[C@@H]1C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000737523739 575985682 /nfs/dbraw/zinc/98/56/82/575985682.db2.gz UYNLLJYWPVNKPI-QWHCGFSZSA-N -1 1 276.336 1.065 20 0 CDADMM C[C@@H](CC(=O)N1CCC[C@H](c2nn[n-]n2)C1)C1CC1 ZINC000765108319 575987379 /nfs/dbraw/zinc/98/73/79/575987379.db2.gz BPCOCRHBGLDXJX-ONGXEEELSA-N -1 1 263.345 1.342 20 0 CDADMM O=C(c1scnc1Cl)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000765109404 575987734 /nfs/dbraw/zinc/98/77/34/575987734.db2.gz JYVNTJNIFBCOEZ-ZCFIWIBFSA-N -1 1 298.759 1.329 20 0 CDADMM ClC1(Cl)C[C@@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC000737564626 575992753 /nfs/dbraw/zinc/99/27/53/575992753.db2.gz ROHDAGQJLMJDHA-ZCFIWIBFSA-N -1 1 285.138 1.867 20 0 CDADMM ClC1(Cl)C[C@@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC000737564626 575992755 /nfs/dbraw/zinc/99/27/55/575992755.db2.gz ROHDAGQJLMJDHA-ZCFIWIBFSA-N -1 1 285.138 1.867 20 0 CDADMM Cn1[n-]c(COC(=O)c2ccnc3ccccc32)nc1=O ZINC000765413271 576018644 /nfs/dbraw/zinc/01/86/44/576018644.db2.gz FCKQIBWVFQLSOF-UHFFFAOYSA-N -1 1 284.275 1.014 20 0 CDADMM Cc1ccc2c(c1)[nH]cc2C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765460067 576026300 /nfs/dbraw/zinc/02/63/00/576026300.db2.gz UPSWZJQCAMVMFF-UHFFFAOYSA-N -1 1 286.291 1.255 20 0 CDADMM Cn1[n-]c(COC(=O)c2cc3cc(F)ccc3o2)nc1=O ZINC000765478235 576028332 /nfs/dbraw/zinc/02/83/32/576028332.db2.gz HPHBEPRDXFPQNM-UHFFFAOYSA-N -1 1 291.238 1.351 20 0 CDADMM Cn1[n-]c(COC(=O)C2(c3ccccc3F)CC2)nc1=O ZINC000765480830 576028379 /nfs/dbraw/zinc/02/83/79/576028379.db2.gz QJXABKCPYSAJRI-UHFFFAOYSA-N -1 1 291.282 1.023 20 0 CDADMM Cn1[n-]c(COC(=O)[C@@H]2C[C@]23CCc2ccccc23)nc1=O ZINC000765486176 576029011 /nfs/dbraw/zinc/02/90/11/576029011.db2.gz GFEROFSWJHYKEU-LRDDRELGSA-N -1 1 299.330 1.056 20 0 CDADMM Cn1[n-]c(COC(=O)c2ccc(Cl)c(F)c2)nc1=O ZINC000765498851 576031178 /nfs/dbraw/zinc/03/11/78/576031178.db2.gz YOPIZXAGCXHXBS-UHFFFAOYSA-N -1 1 285.662 1.258 20 0 CDADMM O[C@H](CNc1cccc(-c2nnn[n-]2)n1)C1CCCCC1 ZINC000738381519 576065135 /nfs/dbraw/zinc/06/51/35/576065135.db2.gz HLDUDCYLLLUTSE-GFCCVEGCSA-N -1 1 288.355 1.615 20 0 CDADMM O[C@H](CNc1cccc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC000738381519 576065137 /nfs/dbraw/zinc/06/51/37/576065137.db2.gz HLDUDCYLLLUTSE-GFCCVEGCSA-N -1 1 288.355 1.615 20 0 CDADMM Oc1ccccc1CCNc1nccnc1-c1nnn[n-]1 ZINC000738401529 576068807 /nfs/dbraw/zinc/06/88/07/576068807.db2.gz UDADVGFWEPLMFF-UHFFFAOYSA-N -1 1 283.295 1.017 20 0 CDADMM Oc1ccccc1CCNc1nccnc1-c1nn[n-]n1 ZINC000738401529 576068809 /nfs/dbraw/zinc/06/88/09/576068809.db2.gz UDADVGFWEPLMFF-UHFFFAOYSA-N -1 1 283.295 1.017 20 0 CDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1C[C@@H]2CCC[C@H]21 ZINC000738432580 576074164 /nfs/dbraw/zinc/07/41/64/576074164.db2.gz HPNLNOPQJGFRCR-JOYOIKCWSA-N -1 1 293.334 1.799 20 0 CDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1C[C@@H]2CCC[C@H]21 ZINC000738432580 576074165 /nfs/dbraw/zinc/07/41/65/576074165.db2.gz HPNLNOPQJGFRCR-JOYOIKCWSA-N -1 1 293.334 1.799 20 0 CDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NC1CCOCC1 ZINC000738437001 576074596 /nfs/dbraw/zinc/07/45/96/576074596.db2.gz MCRSHACEVAKING-UHFFFAOYSA-N -1 1 297.322 1.401 20 0 CDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NC1CCOCC1 ZINC000738437001 576074597 /nfs/dbraw/zinc/07/45/97/576074597.db2.gz MCRSHACEVAKING-UHFFFAOYSA-N -1 1 297.322 1.401 20 0 CDADMM c1ccc2c(c1)CN(c1nccnc1-c1nnn[n-]1)CCN2 ZINC000738441727 576075708 /nfs/dbraw/zinc/07/57/08/576075708.db2.gz MCGKUYYJGVAHBW-UHFFFAOYSA-N -1 1 294.322 1.089 20 0 CDADMM c1ccc2c(c1)CN(c1nccnc1-c1nn[n-]n1)CCN2 ZINC000738441727 576075709 /nfs/dbraw/zinc/07/57/09/576075709.db2.gz MCGKUYYJGVAHBW-UHFFFAOYSA-N -1 1 294.322 1.089 20 0 CDADMM O=C(C[C@H]1OC(=O)c2ccccc21)[N-]OCC(F)(F)F ZINC000766769871 576133625 /nfs/dbraw/zinc/13/36/25/576133625.db2.gz QZOSTYNQTVOJGK-SECBINFHSA-N -1 1 289.209 1.898 20 0 CDADMM O=C([O-])c1ccnc(NC(=O)Cc2n[nH]c3ccccc23)c1 ZINC000739355009 576215079 /nfs/dbraw/zinc/21/50/79/576215079.db2.gz BUDBEHXECKUNGI-UHFFFAOYSA-N -1 1 296.286 1.837 20 0 CDADMM C[C@](O)(CNC(=O)c1ccc([O-])c(F)c1)c1ccco1 ZINC000768203182 576264580 /nfs/dbraw/zinc/26/45/80/576264580.db2.gz RMLXKPJNAMUHJM-AWEZNQCLSA-N -1 1 279.267 1.762 20 0 CDADMM CCC[C@@](C)(CO)NC(=O)c1ccc([O-])c(F)c1 ZINC000768389944 576279291 /nfs/dbraw/zinc/27/92/91/576279291.db2.gz PRCWFWINEZYNHJ-ZDUSSCGKSA-N -1 1 255.289 1.812 20 0 CDADMM O=C([O-])CCNC(=O)CN1CCC[C@@H]1c1ccco1 ZINC000739735288 576288217 /nfs/dbraw/zinc/28/82/17/576288217.db2.gz VFOWLFQMXCFMII-SNVBAGLBSA-N -1 1 266.297 1.007 20 0 CDADMM COc1cc(C[N-]C(=O)C(F)(F)C(F)F)ccc1O ZINC000769359415 576348661 /nfs/dbraw/zinc/34/86/61/576348661.db2.gz 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C[C@H]1c2ccccc2CN1c1nccnc1-c1nn[n-]n1 ZINC000820827652 606137503 /nfs/dbraw/zinc/13/75/03/606137503.db2.gz VGYKQJNQFAHPDC-VIFPVBQESA-N -1 1 279.307 1.738 20 0 CDADMM CCOC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821313132 606179872 /nfs/dbraw/zinc/17/98/72/606179872.db2.gz ATKYYAGPWFOIIN-LURJTMIESA-N -1 1 296.308 1.037 20 0 CDADMM CCOC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821313132 606179874 /nfs/dbraw/zinc/17/98/74/606179874.db2.gz ATKYYAGPWFOIIN-LURJTMIESA-N -1 1 296.308 1.037 20 0 CDADMM CCCCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000821040372 606195099 /nfs/dbraw/zinc/19/50/99/606195099.db2.gz KXPDCUMCVGLMLU-UHFFFAOYSA-N -1 1 261.285 1.701 20 0 CDADMM CCCCN1CC(=O)N[C@@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821065264 606393699 /nfs/dbraw/zinc/39/36/99/606393699.db2.gz HRDNRTVKFMMCPG-LBPRGKRZSA-N -1 1 292.368 1.159 20 0 CDADMM C[C@@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000820717314 606417898 /nfs/dbraw/zinc/41/78/98/606417898.db2.gz POAZIRXMYAOALW-RXMQYKEDSA-N -1 1 270.749 1.965 20 0 CDADMM C[C@@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000820717314 606417900 /nfs/dbraw/zinc/41/79/00/606417900.db2.gz POAZIRXMYAOALW-RXMQYKEDSA-N -1 1 270.749 1.965 20 0 CDADMM COC[C@H](C)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821682296 606438748 /nfs/dbraw/zinc/43/87/48/606438748.db2.gz AVIDDZZSRKEUTR-VIFPVBQESA-N -1 1 284.323 1.862 20 0 CDADMM COC[C@H](C)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821682296 606438750 /nfs/dbraw/zinc/43/87/50/606438750.db2.gz AVIDDZZSRKEUTR-VIFPVBQESA-N -1 1 284.323 1.862 20 0 CDADMM O=C(NCc1cscn1)c1ccc(-c2nnn[n-]2)s1 ZINC000823266326 606541660 /nfs/dbraw/zinc/54/16/60/606541660.db2.gz SRPQCCMAHBUVJX-UHFFFAOYSA-N -1 1 292.349 1.315 20 0 CDADMM O=C(NCc1cscn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823266326 606541661 /nfs/dbraw/zinc/54/16/61/606541661.db2.gz SRPQCCMAHBUVJX-UHFFFAOYSA-N -1 1 292.349 1.315 20 0 CDADMM C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820803612 606571221 /nfs/dbraw/zinc/57/12/21/606571221.db2.gz DFRIDONVTLENJX-HTQZYQBOSA-N -1 1 293.352 1.178 20 0 CDADMM C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820803612 606571223 /nfs/dbraw/zinc/57/12/23/606571223.db2.gz DFRIDONVTLENJX-HTQZYQBOSA-N -1 1 293.352 1.178 20 0 CDADMM CC1(C)[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)s3)C[C@@H]21 ZINC000820586630 606574221 /nfs/dbraw/zinc/57/42/21/606574221.db2.gz XYYCAYLMRBCHBN-OCAPTIKFSA-N -1 1 289.364 1.656 20 0 CDADMM CC1(C)[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)s3)C[C@@H]21 ZINC000820586630 606574222 /nfs/dbraw/zinc/57/42/22/606574222.db2.gz XYYCAYLMRBCHBN-OCAPTIKFSA-N -1 1 289.364 1.656 20 0 CDADMM O=C(NCCn1cccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823229329 606578557 /nfs/dbraw/zinc/57/85/57/606578557.db2.gz LYIIQGKGHLGIGS-UHFFFAOYSA-N -1 1 288.336 1.160 20 0 CDADMM O=C(NCCn1cccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823229329 606578558 /nfs/dbraw/zinc/57/85/58/606578558.db2.gz LYIIQGKGHLGIGS-UHFFFAOYSA-N -1 1 288.336 1.160 20 0 CDADMM CC(C)(C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000819899779 606649384 /nfs/dbraw/zinc/64/93/84/606649384.db2.gz YUTVFVZNMOGGMJ-UHFFFAOYSA-N -1 1 261.285 1.351 20 0 CDADMM CC(C)(C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000819899779 606649385 /nfs/dbraw/zinc/64/93/85/606649385.db2.gz YUTVFVZNMOGGMJ-UHFFFAOYSA-N -1 1 261.285 1.351 20 0 CDADMM CCC[C@H](C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821016373 606652625 /nfs/dbraw/zinc/65/26/25/606652625.db2.gz VIKHNCSGQCXNJN-VIFPVBQESA-N -1 1 275.312 1.741 20 0 CDADMM CCC[C@H](C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821016373 606652626 /nfs/dbraw/zinc/65/26/26/606652626.db2.gz VIKHNCSGQCXNJN-VIFPVBQESA-N -1 1 275.312 1.741 20 0 CDADMM CC[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000820957323 606949075 /nfs/dbraw/zinc/94/90/75/606949075.db2.gz NCHWFWOLWMUXIX-LBPRGKRZSA-N -1 1 259.317 1.283 20 0 CDADMM CC[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000820957323 606949077 /nfs/dbraw/zinc/94/90/77/606949077.db2.gz NCHWFWOLWMUXIX-LBPRGKRZSA-N -1 1 259.317 1.283 20 0 CDADMM O=C(NC1CC=CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823145012 607133430 /nfs/dbraw/zinc/13/34/30/607133430.db2.gz OFEKPYVXVOHWDM-UHFFFAOYSA-N -1 1 261.310 1.377 20 0 CDADMM O=C(NC1CC=CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823145012 607133432 /nfs/dbraw/zinc/13/34/32/607133432.db2.gz OFEKPYVXVOHWDM-UHFFFAOYSA-N -1 1 261.310 1.377 20 0 CDADMM Fc1cccc(OCc2ccccn2)c1-c1nnn[n-]1 ZINC000095183385 607863228 /nfs/dbraw/zinc/86/32/28/607863228.db2.gz FRXJAODFNLRTHH-UHFFFAOYSA-N -1 1 271.255 1.980 20 0 CDADMM Fc1cccc(OCc2ccccn2)c1-c1nn[n-]n1 ZINC000095183385 607863229 /nfs/dbraw/zinc/86/32/29/607863229.db2.gz FRXJAODFNLRTHH-UHFFFAOYSA-N -1 1 271.255 1.980 20 0 CDADMM C[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)[C@H]1C ZINC000824946353 607899637 /nfs/dbraw/zinc/89/96/37/607899637.db2.gz IULMCVHKFDPCGY-ZJUUUORDSA-N -1 1 258.329 1.887 20 0 CDADMM C[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)[C@H]1C ZINC000824946353 607899638 /nfs/dbraw/zinc/89/96/38/607899638.db2.gz IULMCVHKFDPCGY-ZJUUUORDSA-N -1 1 258.329 1.887 20 0 CDADMM Cc1nc(CNc2cccc(-c3nnn[n-]3)n2)sc1C ZINC000826326257 607901246 /nfs/dbraw/zinc/90/12/46/607901246.db2.gz HUJRRSNWLFKUIR-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1nc(CNc2cccc(-c3nn[n-]n3)n2)sc1C ZINC000826326257 607901247 /nfs/dbraw/zinc/90/12/47/607901247.db2.gz HUJRRSNWLFKUIR-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM COCCN(CC(C)C)c1cccc(-c2nnn[n-]2)n1 ZINC000826157784 607903352 /nfs/dbraw/zinc/90/33/52/607903352.db2.gz LRTQYCUEGOVYRE-UHFFFAOYSA-N -1 1 276.344 1.371 20 0 CDADMM COCCN(CC(C)C)c1cccc(-c2nn[n-]n2)n1 ZINC000826157784 607903353 /nfs/dbraw/zinc/90/33/53/607903353.db2.gz LRTQYCUEGOVYRE-UHFFFAOYSA-N -1 1 276.344 1.371 20 0 CDADMM O=Cc1ccc(Oc2nccnc2-c2nn[n-]n2)c(F)c1 ZINC000826484106 607905539 /nfs/dbraw/zinc/90/55/39/607905539.db2.gz NVGUEKWNQXYIHB-UHFFFAOYSA-N -1 1 286.226 1.401 20 0 CDADMM c1cn(Cc2cc(-c3ccccc3)no2)c(-c2nnn[n-]2)n1 ZINC000826519147 608014617 /nfs/dbraw/zinc/01/46/17/608014617.db2.gz MBADGDBPOYOJDX-UHFFFAOYSA-N -1 1 293.290 1.767 20 0 CDADMM c1cn(Cc2cc(-c3ccccc3)no2)c(-c2nn[n-]n2)n1 ZINC000826519147 608014618 /nfs/dbraw/zinc/01/46/18/608014618.db2.gz MBADGDBPOYOJDX-UHFFFAOYSA-N -1 1 293.290 1.767 20 0 CDADMM CCc1nn(C)cc1Nc1cccc(-c2nnn[n-]2)n1 ZINC000825763094 608297523 /nfs/dbraw/zinc/29/75/23/608297523.db2.gz NPHYDPCFSDMDFD-UHFFFAOYSA-N -1 1 270.300 1.301 20 0 CDADMM CCc1nn(C)cc1Nc1cccc(-c2nn[n-]n2)n1 ZINC000825763094 608297524 /nfs/dbraw/zinc/29/75/24/608297524.db2.gz NPHYDPCFSDMDFD-UHFFFAOYSA-N -1 1 270.300 1.301 20 0 CDADMM COc1cc(Nc2ccc(-c3nnn[n-]3)nn2)cc(OC)c1 ZINC000826180943 608388965 /nfs/dbraw/zinc/38/89/65/608388965.db2.gz FBMOYOAUUZFWRT-UHFFFAOYSA-N -1 1 299.294 1.418 20 0 CDADMM COc1cc(Nc2ccc(-c3nn[n-]n3)nn2)cc(OC)c1 ZINC000826180943 608388967 /nfs/dbraw/zinc/38/89/67/608388967.db2.gz FBMOYOAUUZFWRT-UHFFFAOYSA-N -1 1 299.294 1.418 20 0 CDADMM CC(=O)Nc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824000012 608389507 /nfs/dbraw/zinc/38/95/07/608389507.db2.gz QSASSPIUOCBQPA-UHFFFAOYSA-N -1 1 296.294 1.359 20 0 CDADMM CC(=O)Nc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824000012 608389509 /nfs/dbraw/zinc/38/95/09/608389509.db2.gz QSASSPIUOCBQPA-UHFFFAOYSA-N -1 1 296.294 1.359 20 0 CDADMM C[C@@H](CCc1cccn1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824414286 608424211 /nfs/dbraw/zinc/42/42/11/608424211.db2.gz YSZZPXOSEWMRLR-JTQLQIEISA-N -1 1 298.354 1.428 20 0 CDADMM C[C@@H](CCc1cccn1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824414286 608424213 /nfs/dbraw/zinc/42/42/13/608424213.db2.gz YSZZPXOSEWMRLR-JTQLQIEISA-N -1 1 298.354 1.428 20 0 CDADMM C[C@@H]1c2ccccc2CN1c1ccc(-c2nnn[n-]2)nn1 ZINC000825029761 608426938 /nfs/dbraw/zinc/42/69/38/608426938.db2.gz ZDDIKFLVOZJLID-SECBINFHSA-N -1 1 279.307 1.738 20 0 CDADMM C[C@@H]1c2ccccc2CN1c1ccc(-c2nn[n-]n2)nn1 ZINC000825029761 608426939 /nfs/dbraw/zinc/42/69/39/608426939.db2.gz ZDDIKFLVOZJLID-SECBINFHSA-N -1 1 279.307 1.738 20 0 CDADMM Cc1ccccc1[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826305962 608428259 /nfs/dbraw/zinc/42/82/59/608428259.db2.gz NALWUCHZLAMWEI-GFCCVEGCSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1ccccc1[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826305962 608428261 /nfs/dbraw/zinc/42/82/61/608428261.db2.gz NALWUCHZLAMWEI-GFCCVEGCSA-N -1 1 297.322 1.111 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1CCc1ccccc1 ZINC000095183071 608474438 /nfs/dbraw/zinc/47/44/38/608474438.db2.gz LEFYOGSXGXCGOS-UHFFFAOYSA-N -1 1 267.292 1.271 20 0 CDADMM C[C@H]1C[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CCO1 ZINC000824891935 608800391 /nfs/dbraw/zinc/80/03/91/608800391.db2.gz CNERLUWWXSNACX-JGVFFNPUSA-N -1 1 294.746 1.895 20 0 CDADMM C[C@H]1C[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CCO1 ZINC000824891935 608800392 /nfs/dbraw/zinc/80/03/92/608800392.db2.gz CNERLUWWXSNACX-JGVFFNPUSA-N -1 1 294.746 1.895 20 0 CDADMM COc1ccc(Cn2ccnc2-c2nnn[n-]2)cc1Cl ZINC000826208304 608892727 /nfs/dbraw/zinc/89/27/27/608892727.db2.gz DBDARUZWWGIGEW-UHFFFAOYSA-N -1 1 290.714 1.774 20 0 CDADMM COc1ccc(Cn2ccnc2-c2nn[n-]n2)cc1Cl ZINC000826208304 608892732 /nfs/dbraw/zinc/89/27/32/608892732.db2.gz DBDARUZWWGIGEW-UHFFFAOYSA-N -1 1 290.714 1.774 20 0 CDADMM c1cc(-c2nn[n-]n2)sc1CNc1nnc(C2CC2)o1 ZINC000826515330 609265364 /nfs/dbraw/zinc/26/53/64/609265364.db2.gz VIKGMXAROCRXRZ-UHFFFAOYSA-N -1 1 289.324 1.801 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NCC[C@@H]1CCCCO1 ZINC000826515443 609582514 /nfs/dbraw/zinc/58/25/14/609582514.db2.gz YSAHWDRONUVVKF-VIFPVBQESA-N -1 1 275.316 1.028 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NCC[C@@H]1CCCCO1 ZINC000826515443 609582516 /nfs/dbraw/zinc/58/25/16/609582516.db2.gz YSAHWDRONUVVKF-VIFPVBQESA-N -1 1 275.316 1.028 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1Cc1c(F)cccc1F ZINC000826501610 609586025 /nfs/dbraw/zinc/58/60/25/609586025.db2.gz YQRAGJWNEAPWEU-UHFFFAOYSA-N -1 1 289.245 1.355 20 0 CDADMM CC[C@H](C)[C@H](C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825049863 609591393 /nfs/dbraw/zinc/59/13/93/609591393.db2.gz FVBZDESAPCVUJZ-YUMQZZPRSA-N -1 1 277.332 1.221 20 0 CDADMM CC[C@H](C)[C@H](C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825049863 609591396 /nfs/dbraw/zinc/59/13/96/609591396.db2.gz FVBZDESAPCVUJZ-YUMQZZPRSA-N -1 1 277.332 1.221 20 0 CDADMM CCC[C@H](O)C[N-]S(=O)(=O)c1cc2ccccc2o1 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ZINC000891615495 617502808 /nfs/dbraw/zinc/50/28/08/617502808.db2.gz TYZQYUGHFBXVEP-UHFFFAOYSA-N -1 1 279.365 1.895 20 0 CDADMM COCCCCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891623233 617509072 /nfs/dbraw/zinc/50/90/72/617509072.db2.gz JWNRYTQSRQDUOA-UHFFFAOYSA-N -1 1 279.340 1.816 20 0 CDADMM O=C(CC(F)(F)F)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891627338 617512535 /nfs/dbraw/zinc/51/25/35/617512535.db2.gz VXHKJJZDOUFTHH-UHFFFAOYSA-N -1 1 275.230 1.952 20 0 CDADMM CCOC(=O)C[C@H](C)CNc1cc(=O)[n-]c(COC)n1 ZINC000893028689 618073736 /nfs/dbraw/zinc/07/37/36/618073736.db2.gz JOAHMMGQOQAFNQ-VIFPVBQESA-N -1 1 283.328 1.330 20 0 CDADMM C[C@@](NC(=O)c1ccc2cncn2c1)(C(=O)[O-])C1CC1 ZINC000909327364 617692817 /nfs/dbraw/zinc/69/28/17/617692817.db2.gz VMAXXGAUIUKPLH-AWEZNQCLSA-N -1 1 273.292 1.317 20 0 CDADMM O=C([O-])C1(NC(=O)c2ccc3cncn3c2)CCC1 ZINC000909336945 617745495 /nfs/dbraw/zinc/74/54/95/617745495.db2.gz JMKPXAXFRUTDJP-UHFFFAOYSA-N -1 1 259.265 1.071 20 0 CDADMM CCCCC[C@H](NC(=O)CN1CCCC1)C(=O)[O-] 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JHEGJXWQLMEGHN-VIFPVBQESA-N -1 1 286.295 1.309 20 0 CDADMM Cc1ccc(NCC2CCC(O)CC2)nc1-c1nnn[n-]1 ZINC001605874685 1163702195 /nfs/dbraw/zinc/70/21/95/1163702195.db2.gz MUSLCPMNPQLDLM-UHFFFAOYSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(NCC2CCC(O)CC2)nc1-c1nn[n-]n1 ZINC001605874685 1163702201 /nfs/dbraw/zinc/70/22/01/1163702201.db2.gz MUSLCPMNPQLDLM-UHFFFAOYSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@]23C[C@H]2CCCC3)c1-c1nn[n-]n1 ZINC001606012922 1163744450 /nfs/dbraw/zinc/74/44/50/1163744450.db2.gz AZTZZWSIFIEWJA-AMIZOPFISA-N -1 1 287.327 1.417 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(Cc2nc3ccccc3o2)c1C ZINC001606023717 1163750736 /nfs/dbraw/zinc/75/07/36/1163750736.db2.gz DLOZZHWAIBOJAX-UHFFFAOYSA-N -1 1 295.306 1.870 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2nc3ccccc3o2)c1C ZINC001606023717 1163750744 /nfs/dbraw/zinc/75/07/44/1163750744.db2.gz DLOZZHWAIBOJAX-UHFFFAOYSA-N -1 1 295.306 1.870 20 0 CDADMM CN(C[C@@H](O)C(F)(F)F)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001606093657 1163770452 /nfs/dbraw/zinc/77/04/52/1163770452.db2.gz CHGOHKYVOCCIQT-ZJUUUORDSA-N -1 1 295.232 1.806 20 0 CDADMM Cc1nsc(NC(=O)C2(C)CC=CC2)c1-c1nnn[n-]1 ZINC001606148762 1163787670 /nfs/dbraw/zinc/78/76/70/1163787670.db2.gz UVRLQJDHMHESBV-UHFFFAOYSA-N -1 1 290.352 1.926 20 0 CDADMM Cc1nsc(NC(=O)C2(C)CC=CC2)c1-c1nn[n-]n1 ZINC001606148762 1163787673 /nfs/dbraw/zinc/78/76/73/1163787673.db2.gz UVRLQJDHMHESBV-UHFFFAOYSA-N -1 1 290.352 1.926 20 0 CDADMM Cc1nsc(NCc2cnoc2C)c1-c1nn[n-]n1 ZINC001606162675 1163790812 /nfs/dbraw/zinc/79/08/12/1163790812.db2.gz FNGIOJMKNRPGEL-UHFFFAOYSA-N -1 1 277.313 1.540 20 0 CDADMM Cc1nsc(Nc2cccc(CO)c2)c1-c1nn[n-]n1 ZINC001606163112 1163793153 /nfs/dbraw/zinc/79/31/53/1163793153.db2.gz CFUXDUVTZFNOJO-UHFFFAOYSA-N -1 1 288.336 1.868 20 0 CDADMM Fc1ccc([C@H]2CCN2c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001606317413 1163857918 /nfs/dbraw/zinc/85/79/18/1163857918.db2.gz YUJBHHYKSPEOIH-GFCCVEGCSA-N -1 1 297.297 1.747 20 0 CDADMM Fc1ccc([C@H]2CCN2c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001606317413 1163857922 /nfs/dbraw/zinc/85/79/22/1163857922.db2.gz YUJBHHYKSPEOIH-GFCCVEGCSA-N -1 1 297.297 1.747 20 0 CDADMM Fc1cccc(F)c1CCCn1cc(-c2nn[n-]n2)nn1 ZINC001606328336 1163861755 /nfs/dbraw/zinc/86/17/55/1163861755.db2.gz JZDCSZMURIOCEM-UHFFFAOYSA-N -1 1 291.265 1.369 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CC1CCCCC1 ZINC001606445344 1163902163 /nfs/dbraw/zinc/90/21/63/1163902163.db2.gz UUNONXXGBKEVSK-UHFFFAOYSA-N -1 1 275.316 1.256 20 0 CDADMM O=C(N[C@H]1C[C@H]1c1ccccc1)c1coc(-c2nnn[n-]2)c1 ZINC001606654957 1163947812 /nfs/dbraw/zinc/94/78/12/1163947812.db2.gz UQNILAWWWUPFOD-RYUDHWBXSA-N -1 1 295.302 1.746 20 0 CDADMM O=C(N[C@H]1C[C@H]1c1ccccc1)c1coc(-c2nn[n-]n2)c1 ZINC001606654957 1163947815 /nfs/dbraw/zinc/94/78/15/1163947815.db2.gz UQNILAWWWUPFOD-RYUDHWBXSA-N -1 1 295.302 1.746 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1CCC=CCCC1 ZINC001606892684 1164025014 /nfs/dbraw/zinc/02/50/14/1164025014.db2.gz UGJMXFQVGFAUSG-SECBINFHSA-N -1 1 287.327 1.665 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1CCC=CCCC1 ZINC001606892684 1164025020 /nfs/dbraw/zinc/02/50/20/1164025020.db2.gz UGJMXFQVGFAUSG-SECBINFHSA-N -1 1 287.327 1.665 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc(C2CC2)cc1 ZINC001606945937 1164037679 /nfs/dbraw/zinc/03/76/79/1164037679.db2.gz SMFKJWCCAACSAR-UHFFFAOYSA-N -1 1 295.306 1.720 20 0 CDADMM O=C(Nc1nccs1)c1ccc(-c2nn[n-]n2)o1 ZINC001606954617 1164039913 /nfs/dbraw/zinc/03/99/13/1164039913.db2.gz VUWHYXQZASHEEN-UHFFFAOYSA-N -1 1 262.254 1.169 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N(C1CC1)C1CC1 ZINC001607025557 1164062183 /nfs/dbraw/zinc/06/21/83/1164062183.db2.gz JQRCEKPPIPLNKC-UHFFFAOYSA-N -1 1 270.296 1.029 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N(C1CC1)C1CC1 ZINC001607025557 1164062184 /nfs/dbraw/zinc/06/21/84/1164062184.db2.gz JQRCEKPPIPLNKC-UHFFFAOYSA-N -1 1 270.296 1.029 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC[C@H](C2CC2)C1 ZINC001607025919 1164062957 /nfs/dbraw/zinc/06/29/57/1164062957.db2.gz PQQAGZFBURKEIV-LBPRGKRZSA-N -1 1 298.350 1.524 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC[C@H](C2CC2)C1 ZINC001607025919 1164062969 /nfs/dbraw/zinc/06/29/69/1164062969.db2.gz PQQAGZFBURKEIV-LBPRGKRZSA-N -1 1 298.350 1.524 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1CCc1ccccc1F ZINC001607089984 1164074520 /nfs/dbraw/zinc/07/45/20/1164074520.db2.gz FZBKLTRQBOHACU-UHFFFAOYSA-N -1 1 285.282 1.410 20 0 CDADMM OCCCCCCSc1cccnc1-c1nnn[n-]1 ZINC001607105788 1164088197 /nfs/dbraw/zinc/08/81/97/1164088197.db2.gz MGEVZNKGQHHNRX-UHFFFAOYSA-N -1 1 279.369 1.907 20 0 CDADMM OCCCCCCSc1cccnc1-c1nn[n-]n1 ZINC001607105788 1164088202 /nfs/dbraw/zinc/08/82/02/1164088202.db2.gz MGEVZNKGQHHNRX-UHFFFAOYSA-N -1 1 279.369 1.907 20 0 CDADMM c1sc(CNc2ccccc2)nc1-c1nnn[n-]1 ZINC001607131237 1164111079 /nfs/dbraw/zinc/11/10/79/1164111079.db2.gz YRQHTSQKVCLCRY-UHFFFAOYSA-N -1 1 258.310 1.935 20 0 CDADMM c1sc(CNc2ccccc2)nc1-c1nn[n-]n1 ZINC001607131237 1164111083 /nfs/dbraw/zinc/11/10/83/1164111083.db2.gz YRQHTSQKVCLCRY-UHFFFAOYSA-N -1 1 258.310 1.935 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1 ZINC001607133180 1164112421 /nfs/dbraw/zinc/11/24/21/1164112421.db2.gz ADZBFORKYFCHIF-NHCYSSNCSA-N -1 1 286.339 1.631 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1 ZINC001607133180 1164112424 /nfs/dbraw/zinc/11/24/24/1164112424.db2.gz ADZBFORKYFCHIF-NHCYSSNCSA-N -1 1 286.339 1.631 20 0 CDADMM c1coc([C@@H]2CCN(c3cc(-c4nnn[n-]4)ncn3)C2)c1 ZINC001607135468 1164114193 /nfs/dbraw/zinc/11/41/93/1164114193.db2.gz FACXGRVCZYSHLK-SECBINFHSA-N -1 1 283.295 1.244 20 0 CDADMM c1coc([C@@H]2CCN(c3cc(-c4nn[n-]n4)ncn3)C2)c1 ZINC001607135468 1164114195 /nfs/dbraw/zinc/11/41/95/1164114195.db2.gz FACXGRVCZYSHLK-SECBINFHSA-N -1 1 283.295 1.244 20 0 CDADMM COc1ccc(CN2C[C@H](C(=O)[O-])C[C@H](O)C2)c(Cl)c1 ZINC001607253459 1164136836 /nfs/dbraw/zinc/13/68/36/1164136836.db2.gz TXGGMVGCMIQDQZ-MNOVXSKESA-N -1 1 299.754 1.616 20 0 CDADMM C[C@@H](O)CN(C)Cc1cc(C(=O)[O-])ccc1Cl ZINC001607424260 1164175677 /nfs/dbraw/zinc/17/56/77/1164175677.db2.gz NKEGBBICNYGAHZ-MRVPVSSYSA-N -1 1 257.717 1.851 20 0 CDADMM C[C@H]1COC(C)(C)CN1C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001607479516 1164197988 /nfs/dbraw/zinc/19/79/88/1164197988.db2.gz OVFYCCHCKUDVMU-CIUDSAMLSA-N -1 1 263.284 1.452 20 0 CDADMM Cc1cc2cn[nH]c2c(C(=O)Nc2nn(C)cc2C(=O)[O-])c1 ZINC001607585180 1164232450 /nfs/dbraw/zinc/23/24/50/1164232450.db2.gz VEUVJVLINXPLBE-UHFFFAOYSA-N -1 1 299.290 1.555 20 0 CDADMM Cc1ccc(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)o1 ZINC000345456512 1164341634 /nfs/dbraw/zinc/34/16/34/1164341634.db2.gz DITAEKSDXJWYRM-UHFFFAOYSA-N -1 1 299.290 1.932 20 0 CDADMM O=C(CCC1CC1)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000346122442 1164342473 /nfs/dbraw/zinc/34/24/73/1164342473.db2.gz ODDMSICGQYMZQG-UHFFFAOYSA-N -1 1 287.323 1.907 20 0 CDADMM Cc1oc(CN[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc1C(=O)[O-] ZINC001608048131 1164392247 /nfs/dbraw/zinc/39/22/47/1164392247.db2.gz HVHQHEGCHQQSFH-HZMBPMFUSA-N -1 1 295.383 1.010 20 0 CDADMM Cc1oc(CN2C[C@](C)(CO)[C@](C)(CO)C2)cc1C(=O)[O-] ZINC001608051326 1164394085 /nfs/dbraw/zinc/39/40/85/1164394085.db2.gz SSLPVNAAUCUKKC-GASCZTMLSA-N -1 1 297.351 1.099 20 0 CDADMM Cn1cc(NC(=O)[C@](C)(N)c2ccccc2)cc1C(=O)[O-] ZINC001608116418 1164414848 /nfs/dbraw/zinc/41/48/48/1164414848.db2.gz RRZHEYFBRZWTEV-OAHLLOKOSA-N -1 1 287.319 1.536 20 0 CDADMM Cn1ccnc1[C@H]1CCN(Cc2nc(C(=O)[O-])cs2)C1 ZINC001608134061 1164420761 /nfs/dbraw/zinc/42/07/61/1164420761.db2.gz NWPCPQHCTWDWDQ-VIFPVBQESA-N -1 1 292.364 1.564 20 0 CDADMM N[C@@H](C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1ccccc1 ZINC001608249441 1164466907 /nfs/dbraw/zinc/46/69/07/1164466907.db2.gz WYASBBMHNCXPRL-XHJNMGKDSA-N -1 1 288.347 1.302 20 0 CDADMM O=C([O-])c1ccccc1CC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC001608366176 1164499635 /nfs/dbraw/zinc/49/96/35/1164499635.db2.gz BKXPYQOBWQQBMW-NSHDSACASA-N -1 1 299.330 1.324 20 0 CDADMM O=C([O-])c1ccccc1CCNC(=O)Cc1cnc[nH]1 ZINC001608370023 1164500977 /nfs/dbraw/zinc/50/09/77/1164500977.db2.gz RXHBMLJMRZNPGJ-UHFFFAOYSA-N -1 1 273.292 1.009 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)C3=CCC3)[nH]c21 ZINC001608524130 1164532203 /nfs/dbraw/zinc/53/22/03/1164532203.db2.gz FWLOKEUOXNIZQV-UHFFFAOYSA-N -1 1 257.249 1.920 20 0 CDADMM O=C([O-])[C@H](NCc1cc[nH]c(=O)c1)c1cc(F)ccc1F ZINC001608551476 1164543368 /nfs/dbraw/zinc/54/33/68/1164543368.db2.gz SWMSFDOHTLLFJU-CYBMUJFWSA-N -1 1 294.257 1.981 20 0 CDADMM O=C([O-])[C@@]1(F)CCN(C[C@@H]2CCC3(CCC3)O2)C1 ZINC001608575602 1164552499 /nfs/dbraw/zinc/55/24/99/1164552499.db2.gz MAOMKOXQBXZOJC-GXFFZTMASA-N -1 1 257.305 1.587 20 0 CDADMM O=C([O-])C1CC2(C1)C[N@@H+](CCCCCF)C[C@H]2C(=O)[O-] ZINC001608609947 1164572508 /nfs/dbraw/zinc/57/25/08/1164572508.db2.gz GCVDWLNWZHVHHH-CVZZAPKMSA-N -1 1 287.331 1.624 20 0 CDADMM O=C([O-])C[C@H]1CCCN1CC(=O)OCc1ccccc1 ZINC001608696795 1164608995 /nfs/dbraw/zinc/60/89/95/1164608995.db2.gz WAXQIPSZDKBGMR-CYBMUJFWSA-N -1 1 277.320 1.669 20 0 CDADMM O=C([O-])c1cc(CN(CCO)CCc2ccccc2)on1 ZINC001608841223 1164658148 /nfs/dbraw/zinc/65/81/48/1164658148.db2.gz GLKASMKYTVRDDK-UHFFFAOYSA-N -1 1 290.319 1.410 20 0 CDADMM O=C([O-])c1cc(CN(CCCCO)C2CC2)on1 ZINC001608841464 1164658808 /nfs/dbraw/zinc/65/88/08/1164658808.db2.gz SSZMBVLRSHUOSH-UHFFFAOYSA-N -1 1 254.286 1.110 20 0 CDADMM O=C([O-])c1cc(CNCCc2ccccc2O)on1 ZINC001608843496 1164660340 /nfs/dbraw/zinc/66/03/40/1164660340.db2.gz OORPWSFSCQBNMK-UHFFFAOYSA-N -1 1 262.265 1.411 20 0 CDADMM O=C([O-])c1cc(CNC[C@H]2CC3(CCC3)CO2)on1 ZINC001608843791 1164660808 /nfs/dbraw/zinc/66/08/08/1164660808.db2.gz FTJBCLAGRWPEGW-SNVBAGLBSA-N -1 1 266.297 1.422 20 0 CDADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ncccc2F)cn1 ZINC001608913796 1164683004 /nfs/dbraw/zinc/68/30/04/1164683004.db2.gz FQTGDSSDEDJWIM-UHFFFAOYSA-N -1 1 297.267 1.115 20 0 CDADMM O=C([O-])c1ccnc(C(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC001608951470 1164692695 /nfs/dbraw/zinc/69/26/95/1164692695.db2.gz WKQWNTGVKWNGMM-SNVBAGLBSA-N -1 1 286.291 1.310 20 0 CDADMM O=C([O-])c1coc(C[N@H+]2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1 ZINC001608987888 1164711031 /nfs/dbraw/zinc/71/10/31/1164711031.db2.gz YACPRRLDAUBEML-MRVPVSSYSA-N -1 1 293.279 1.446 20 0 CDADMM CC(C)(F)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001609084610 1164761329 /nfs/dbraw/zinc/76/13/29/1164761329.db2.gz OVLRZTZTMFEWPN-UHFFFAOYSA-N -1 1 265.248 1.167 20 0 CDADMM CC(C)(F)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001609084610 1164761335 /nfs/dbraw/zinc/76/13/35/1164761335.db2.gz OVLRZTZTMFEWPN-UHFFFAOYSA-N -1 1 265.248 1.167 20 0 CDADMM CC[C@H](C)CON=c1nc(-c2nn[n-]n2)cc(C)[nH]1 ZINC001609184520 1164826113 /nfs/dbraw/zinc/82/61/13/1164826113.db2.gz DOMBYAWPYFVZEQ-ZETCQYMHSA-N -1 1 263.305 1.355 20 0 CDADMM CC[C@@]1(C)CCCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001609196651 1164836815 /nfs/dbraw/zinc/83/68/15/1164836815.db2.gz VTILFEUPMAEZEZ-ZDUSSCGKSA-N -1 1 273.344 1.673 20 0 CDADMM CC[C@@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001609199002 1164838947 /nfs/dbraw/zinc/83/89/47/1164838947.db2.gz MXAFOEBHBQXXQS-DTWKUNHWSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001609199002 1164838955 /nfs/dbraw/zinc/83/89/55/1164838955.db2.gz MXAFOEBHBQXXQS-DTWKUNHWSA-N -1 1 275.316 1.026 20 0 CDADMM CCN(C(=O)c1ccnc(-c2nnn[n-]2)c1)C(C)C ZINC001609220421 1164851651 /nfs/dbraw/zinc/85/16/51/1164851651.db2.gz UUNPJWSAXWTRPU-UHFFFAOYSA-N -1 1 260.301 1.132 20 0 CDADMM CCN(C(=O)c1ccnc(-c2nn[n-]n2)c1)C(C)C ZINC001609220421 1164851658 /nfs/dbraw/zinc/85/16/58/1164851658.db2.gz UUNPJWSAXWTRPU-UHFFFAOYSA-N -1 1 260.301 1.132 20 0 CDADMM CN(CCC(C)(C)C)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609274603 1164878531 /nfs/dbraw/zinc/87/85/31/1164878531.db2.gz WYXNWGSHVFSXPT-UHFFFAOYSA-N -1 1 288.355 1.770 20 0 CDADMM CN(CCC(C)(C)C)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609274603 1164878536 /nfs/dbraw/zinc/87/85/36/1164878536.db2.gz WYXNWGSHVFSXPT-UHFFFAOYSA-N -1 1 288.355 1.770 20 0 CDADMM CO[C@H]1CCC[C@@H]1CNc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001609314666 1164895692 /nfs/dbraw/zinc/89/56/92/1164895692.db2.gz PRMDJTYIUFCRNU-MFKMUULPSA-N -1 1 288.355 1.797 20 0 CDADMM CO[C@H]1CCC[C@@H]1CNc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001609314666 1164895699 /nfs/dbraw/zinc/89/56/99/1164895699.db2.gz PRMDJTYIUFCRNU-MFKMUULPSA-N -1 1 288.355 1.797 20 0 CDADMM CS[C@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001609369667 1164911858 /nfs/dbraw/zinc/91/18/58/1164911858.db2.gz IMORSXFYPGTXHY-IUCAKERBSA-N -1 1 291.384 1.743 20 0 CDADMM CS[C@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001609369667 1164911863 /nfs/dbraw/zinc/91/18/63/1164911863.db2.gz IMORSXFYPGTXHY-IUCAKERBSA-N -1 1 291.384 1.743 20 0 CDADMM CSCCCSc1nccnc1-c1nn[n-]n1 ZINC001609371543 1164914401 /nfs/dbraw/zinc/91/44/01/1164914401.db2.gz QAQKSWMKINJZRG-UHFFFAOYSA-N -1 1 268.371 1.502 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccccn1 ZINC001609375543 1164917776 /nfs/dbraw/zinc/91/77/76/1164917776.db2.gz GNFMCPFRNZSZJN-QMMMGPOBSA-N -1 1 284.279 1.346 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccccn1 ZINC001609375543 1164917782 /nfs/dbraw/zinc/91/77/82/1164917782.db2.gz GNFMCPFRNZSZJN-QMMMGPOBSA-N -1 1 284.279 1.346 20 0 CDADMM Cc1ccc(N[C@@H]2CCCC[C@H]2O)nc1-c1nnn[n-]1 ZINC001609427000 1164942235 /nfs/dbraw/zinc/94/22/35/1164942235.db2.gz DXXHTQPLWMKWKX-NXEZZACHSA-N -1 1 274.328 1.286 20 0 CDADMM Cc1cccc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)c1O ZINC001609433025 1164945620 /nfs/dbraw/zinc/94/56/20/1164945620.db2.gz AHDBYSIPMSLLHD-UHFFFAOYSA-N -1 1 296.290 1.528 20 0 CDADMM Cc1cccc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)c1O ZINC001609433025 1164945624 /nfs/dbraw/zinc/94/56/24/1164945624.db2.gz AHDBYSIPMSLLHD-UHFFFAOYSA-N -1 1 296.290 1.528 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@]1(C)CCO[C@H]1C ZINC001609467870 1164964090 /nfs/dbraw/zinc/96/40/90/1164964090.db2.gz WITNPBXJRPTUME-SDBXPKJASA-N -1 1 291.311 1.065 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@]1(C)CCO[C@H]1C ZINC001609467870 1164964094 /nfs/dbraw/zinc/96/40/94/1164964094.db2.gz WITNPBXJRPTUME-SDBXPKJASA-N -1 1 291.311 1.065 20 0 CDADMM O=C(N[C@H]1CCCC1(F)F)c1ccnc(-c2nnn[n-]2)c1 ZINC001609541140 1164985172 /nfs/dbraw/zinc/98/51/72/1164985172.db2.gz ZJGCRFQIXYEKMO-VIFPVBQESA-N -1 1 294.265 1.179 20 0 CDADMM O=C(N[C@H]1CCCC1(F)F)c1ccnc(-c2nn[n-]n2)c1 ZINC001609541140 1164985173 /nfs/dbraw/zinc/98/51/73/1164985173.db2.gz ZJGCRFQIXYEKMO-VIFPVBQESA-N -1 1 294.265 1.179 20 0 CDADMM c1ccc([C@H]2CCN(c3ccnc(-c4nnn[n-]4)c3)C2)nc1 ZINC001609616723 1165012545 /nfs/dbraw/zinc/01/25/45/1165012545.db2.gz AZUSZKYYBDALRL-NSHDSACASA-N -1 1 293.334 1.651 20 0 CDADMM c1ccc([C@H]2CCN(c3ccnc(-c4nn[n-]n4)c3)C2)nc1 ZINC001609616723 1165012550 /nfs/dbraw/zinc/01/25/50/1165012550.db2.gz AZUSZKYYBDALRL-NSHDSACASA-N -1 1 293.334 1.651 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2C[C@H]3CCCC[C@@H]3C2)n1 ZINC001609620229 1165014079 /nfs/dbraw/zinc/01/40/79/1165014079.db2.gz OLLQNHREUOWXFI-NXEZZACHSA-N -1 1 271.328 1.283 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2C[C@H]3CCCC[C@@H]3C2)n1 ZINC001609620229 1165014086 /nfs/dbraw/zinc/01/40/86/1165014086.db2.gz OLLQNHREUOWXFI-NXEZZACHSA-N -1 1 271.328 1.283 20 0 CDADMM C[C@@H](N[C@H](CO)c1cnn(C)c1)c1cc(C(=O)[O-])cs1 ZINC001609776857 1165075601 /nfs/dbraw/zinc/07/56/01/1165075601.db2.gz SCQOPXOCXBXFPV-LDYMZIIASA-N -1 1 295.364 1.564 20 0 CDADMM C[C@@H](NCC(=O)Nc1cccc(C(=O)[O-])c1)c1cn[nH]c1 ZINC001609775370 1165076220 /nfs/dbraw/zinc/07/62/20/1165076220.db2.gz ZLJCGYIGAHUWKK-SECBINFHSA-N -1 1 288.307 1.397 20 0 CDADMM C[C@@H](NC[C@@H]1COCCO1)c1cc(C(=O)[O-])co1 ZINC001609781247 1165078991 /nfs/dbraw/zinc/07/89/91/1165078991.db2.gz WXVUOXSLCYXYGZ-PSASIEDQSA-N -1 1 255.270 1.044 20 0 CDADMM O=C([O-])[C@@H]1CC(=O)N(CN2CCC[C@@H]2c2ccccc2)C1 ZINC001610735172 1165421531 /nfs/dbraw/zinc/42/15/31/1165421531.db2.gz NONVUDQVFXABAO-ZIAGYGMSSA-N -1 1 288.347 1.714 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(Cc2nnc[nH]2)cc1 ZINC001625353940 1165902397 /nfs/dbraw/zinc/90/23/97/1165902397.db2.gz DBHUTZXLSYJBBR-UHFFFAOYSA-N -1 1 298.306 1.385 20 0 CDADMM CN(C(=O)CCc1cc2ccccc2[nH]c1=O)c1nn[n-]n1 ZINC001630603551 1166216298 /nfs/dbraw/zinc/21/62/98/1166216298.db2.gz AIZTVTUJVMHLJS-UHFFFAOYSA-N -1 1 298.306 1.049 20 0 CDADMM CCC(CC)(NC(=O)c1cccc2nccn21)c1nn[n-]n1 ZINC001634816261 1166538654 /nfs/dbraw/zinc/53/86/54/1166538654.db2.gz UCRGDGOQBLQDCB-UHFFFAOYSA-N -1 1 299.338 1.293 20 0 CDADMM c1ccc([C@H]2C[C@@H]2Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC000095168352 1166603942 /nfs/dbraw/zinc/60/39/42/1166603942.db2.gz RLWKRKJKAPGLSL-MNOVXSKESA-N -1 1 279.307 1.625 20 0 CDADMM c1ccc([C@H]2C[C@@H]2Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC000095168352 1166603947 /nfs/dbraw/zinc/60/39/47/1166603947.db2.gz RLWKRKJKAPGLSL-MNOVXSKESA-N -1 1 279.307 1.625 20 0 CDADMM CCC(CC)(NC(=O)[C@H]1CCCS1)c1nn[n-]n1 ZINC000095261843 1166615648 /nfs/dbraw/zinc/61/56/48/1166615648.db2.gz MOLLHXPYBNTBHA-MRVPVSSYSA-N -1 1 269.374 1.227 20 0 CDADMM CCOc1ccc(Oc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC000095282085 1166617636 /nfs/dbraw/zinc/61/76/36/1166617636.db2.gz MAZCSWKUPBOVLE-UHFFFAOYSA-N -1 1 284.279 1.848 20 0 CDADMM CCOc1ccc(Oc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC000095282085 1166617641 /nfs/dbraw/zinc/61/76/41/1166617641.db2.gz MAZCSWKUPBOVLE-UHFFFAOYSA-N -1 1 284.279 1.848 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC001638735308 1166867444 /nfs/dbraw/zinc/86/74/44/1166867444.db2.gz CBQOUUFVRNLYCW-UHFFFAOYSA-N -1 1 287.254 1.897 20 0 CDADMM CCC[C@@H]1C[C@@H](C(=O)Nc2c[n-][nH]c2=O)CCO1 ZINC001641600852 1167122436 /nfs/dbraw/zinc/12/24/36/1167122436.db2.gz ICOIARCWFNVUAG-DTWKUNHWSA-N -1 1 253.302 1.649 20 0 CDADMM CO[C@@H]1CCC[C@H]1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001646647441 1168016692 /nfs/dbraw/zinc/01/66/92/1168016692.db2.gz VPUMWHVOOMQJJI-ZYHUDNBSSA-N -1 1 291.351 1.815 20 0 CDADMM CCn1c(-c2c[n-][nH]c2=O)nnc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC001646711607 1168054638 /nfs/dbraw/zinc/05/46/38/1168054638.db2.gz LDBMCTPYVYHSKP-OCAPTIKFSA-N -1 1 296.281 1.095 20 0 CDADMM C[C@H](COCC(=O)OCc1nn[n-]n1)c1ccccc1 ZINC001646880762 1168219858 /nfs/dbraw/zinc/21/98/58/1168219858.db2.gz BXEXJFHSWQEGIP-SNVBAGLBSA-N -1 1 276.296 1.063 20 0 CDADMM CC(C)n1cc2c(n1)[C@H](NC(=O)c1cnn[nH]1)CCC2 ZINC001647139651 1168403463 /nfs/dbraw/zinc/40/34/63/1168403463.db2.gz FVWTVOWVDQISES-SNVBAGLBSA-N -1 1 274.328 1.390 20 0 CDADMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])cc2O)ncn1 ZINC001647162727 1168418921 /nfs/dbraw/zinc/41/89/21/1168418921.db2.gz FNXNTIFDSPZQRM-UHFFFAOYSA-N -1 1 288.259 1.236 20 0 CDADMM CC(C)(C)n1ncnc1CN1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001647253933 1168493798 /nfs/dbraw/zinc/49/37/98/1168493798.db2.gz MIFGACBIKNPTHL-NWDGAFQWSA-N -1 1 292.383 1.576 20 0 CDADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC[C@@H]1CCO ZINC001647422541 1168674893 /nfs/dbraw/zinc/67/48/93/1168674893.db2.gz NZSKHQCCSRVUSF-SNVBAGLBSA-N -1 1 277.324 1.047 20 0 CDADMM O=C(c1c([O-])cccc1Cl)N1CCSC[C@@H]1CO ZINC001647594956 1168905650 /nfs/dbraw/zinc/90/56/50/1168905650.db2.gz RUKORNAMFKHOBV-QMMMGPOBSA-N -1 1 287.768 1.596 20 0 CDADMM CCc1cc(CNC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)n[nH]1 ZINC001647721193 1169045094 /nfs/dbraw/zinc/04/50/94/1169045094.db2.gz KRCIZBNENCQLLK-NXEZZACHSA-N -1 1 294.355 1.367 20 0 CDADMM CC(C)c1noc(CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n1 ZINC001649865089 1169446321 /nfs/dbraw/zinc/44/63/21/1169446321.db2.gz RBBFYDZUALRQMK-WDEREUQCSA-N -1 1 279.340 1.736 20 0 CDADMM Cn1cncc1CN[C@@H](CC(=O)[O-])c1ccccc1F ZINC001650014652 1169609261 /nfs/dbraw/zinc/60/92/61/1169609261.db2.gz NABCNNYDIPQALQ-ZDUSSCGKSA-N -1 1 277.299 1.865 20 0 CDADMM C[C@]1(C(=O)[O-])CN(C[C@@H]2CC3(CO2)CCCCC3)CCO1 ZINC001573605584 1170704635 /nfs/dbraw/zinc/70/46/35/1170704635.db2.gz AOHUNZBRUTWZIS-DZGCQCFKSA-N -1 1 297.395 1.901 20 0 CDADMM COC(=O)c1cnc([C@@H](C)NCC2(C(=O)[O-])CC2)s1 ZINC001573941476 1170834729 /nfs/dbraw/zinc/83/47/29/1170834729.db2.gz GTZSPLPKALSBIX-SSDOTTSWSA-N -1 1 284.337 1.445 20 0 CDADMM CO[C@@H]1CCC[C@H]1NCC(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC001573992174 1170857314 /nfs/dbraw/zinc/85/73/14/1170857314.db2.gz HXCLZQSBVCLLAA-ZYHUDNBSSA-N -1 1 294.351 1.670 20 0 CDADMM COc1cccc(CCCN2CCO[C@@](C)(C(=O)[O-])C2)c1 ZINC001574041707 1170869514 /nfs/dbraw/zinc/86/95/14/1170869514.db2.gz ORKLSOAATSRVEY-MRXNPFEDSA-N -1 1 293.363 1.803 20 0 CDADMM Cc1cc(NC(=O)c2cc(C(F)F)n[nH]2)n(CC(=O)[O-])n1 ZINC001574144861 1170895458 /nfs/dbraw/zinc/89/54/58/1170895458.db2.gz UMLILAHINLEPDV-UHFFFAOYSA-N -1 1 299.237 1.189 20 0 CDADMM O=C([O-])c1noc(CN[C@H]2CCOCC23CCCC3)n1 ZINC001574429907 1170980738 /nfs/dbraw/zinc/98/07/38/1170980738.db2.gz VEZBBCPDJBGEHR-VIFPVBQESA-N -1 1 281.312 1.207 20 0 CDADMM C[C@@H]1CC[C@@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001576143518 1171340002 /nfs/dbraw/zinc/34/00/02/1171340002.db2.gz UOFVAWGUUBCDSQ-APPZFPTMSA-N -1 1 292.368 1.526 20 0 CDADMM CCNc1ccc(Nc2cc(-c3nn[n-]n3)nc(C)n2)cn1 ZINC001578241081 1171848193 /nfs/dbraw/zinc/84/81/93/1171848193.db2.gz JFNBPHHPBJVNJU-UHFFFAOYSA-N -1 1 297.326 1.536 20 0 CDADMM Cc1cc(-c2nn[n-]n2)c(=O)n(C[C@H]2C[C@H]3C=C[C@@H]2C3)c1 ZINC001580609398 1172482749 /nfs/dbraw/zinc/48/27/49/1172482749.db2.gz WXAYWEKOOQMDFP-QJPTWQEYSA-N -1 1 283.335 1.549 20 0 CDADMM Cc1ncoc1COC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001581582216 1172615425 /nfs/dbraw/zinc/61/54/25/1172615425.db2.gz ZUPVGENGTINPFS-UHFFFAOYSA-N -1 1 275.224 1.113 20 0 CDADMM Cc1ncoc1COC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001581582216 1172615433 /nfs/dbraw/zinc/61/54/33/1172615433.db2.gz ZUPVGENGTINPFS-UHFFFAOYSA-N -1 1 275.224 1.113 20 0 CDADMM CC(C)[C@@H]1C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589763332 1173177141 /nfs/dbraw/zinc/17/71/41/1173177141.db2.gz CTLVVILTHWOQSD-JGVFFNPUSA-N -1 1 277.353 1.703 20 0 CDADMM CC(C)[C@@H]1C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589763332 1173177149 /nfs/dbraw/zinc/17/71/49/1173177149.db2.gz CTLVVILTHWOQSD-JGVFFNPUSA-N -1 1 277.353 1.703 20 0 CDADMM C[C@H](N(C)C(=O)c1cccc(-c2nnn[n-]2)n1)C1(C)CC1 ZINC001589911324 1173202947 /nfs/dbraw/zinc/20/29/47/1173202947.db2.gz LDXPBRHOKBDVFP-VIFPVBQESA-N -1 1 286.339 1.522 20 0 CDADMM C[C@H](N(C)C(=O)c1cccc(-c2nn[n-]n2)n1)C1(C)CC1 ZINC001589911324 1173202951 /nfs/dbraw/zinc/20/29/51/1173202951.db2.gz LDXPBRHOKBDVFP-VIFPVBQESA-N -1 1 286.339 1.522 20 0 CDADMM C[C@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)C1CCC1 ZINC001589947220 1173209074 /nfs/dbraw/zinc/20/90/74/1173209074.db2.gz OSMKCBSPIZLJLS-QMMMGPOBSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)C1CCC1 ZINC001589947220 1173209079 /nfs/dbraw/zinc/20/90/79/1173209079.db2.gz OSMKCBSPIZLJLS-QMMMGPOBSA-N -1 1 272.312 1.180 20 0 CDADMM CC1(C)CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)O1 ZINC001590093333 1173254736 /nfs/dbraw/zinc/25/47/36/1173254736.db2.gz HPHHLLXHEAHHNY-SECBINFHSA-N -1 1 289.343 1.416 20 0 CDADMM CC1(C)CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)O1 ZINC001590093333 1173254742 /nfs/dbraw/zinc/25/47/42/1173254742.db2.gz HPHHLLXHEAHHNY-SECBINFHSA-N -1 1 289.343 1.416 20 0 CDADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CC(C)(C)C1 ZINC001590108376 1173259031 /nfs/dbraw/zinc/25/90/31/1173259031.db2.gz WPAZSRWWHHSNEG-UHFFFAOYSA-N -1 1 287.371 1.919 20 0 CDADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CC(C)(C)C1 ZINC001590108376 1173259033 /nfs/dbraw/zinc/25/90/33/1173259033.db2.gz WPAZSRWWHHSNEG-UHFFFAOYSA-N -1 1 287.371 1.919 20 0 CDADMM C[C@H]1C[C@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590187894 1173284324 /nfs/dbraw/zinc/28/43/24/1173284324.db2.gz ABPAQTJDGPXWLI-BQBZGAKWSA-N -1 1 263.326 1.551 20 0 CDADMM C[C@H]1C[C@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590187894 1173284328 /nfs/dbraw/zinc/28/43/28/1173284328.db2.gz ABPAQTJDGPXWLI-BQBZGAKWSA-N -1 1 263.326 1.551 20 0 CDADMM C[C@H]1CC2(CC(Nc3cncc(-c4nnn[n-]4)n3)C2)CO1 ZINC001590221775 1173301781 /nfs/dbraw/zinc/30/17/81/1173301781.db2.gz HEEFFCCEKQMVAW-BVDKZHGWSA-N -1 1 287.327 1.026 20 0 CDADMM C[C@H]1CC2(CC(Nc3cncc(-c4nn[n-]n4)n3)C2)CO1 ZINC001590221775 1173301787 /nfs/dbraw/zinc/30/17/87/1173301787.db2.gz HEEFFCCEKQMVAW-BVDKZHGWSA-N -1 1 287.327 1.026 20 0 CDADMM C[C@@H]1CCC[C@H](C)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590243980 1173313044 /nfs/dbraw/zinc/31/30/44/1173313044.db2.gz OQMVEVXQIUOBRM-ZJUUUORDSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@H]1CCCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590260946 1173325536 /nfs/dbraw/zinc/32/55/36/1173325536.db2.gz KVLIXPJIKKOCQU-VIFPVBQESA-N -1 1 272.312 1.134 20 0 CDADMM C[C@H]1CCCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590260946 1173325543 /nfs/dbraw/zinc/32/55/43/1173325543.db2.gz KVLIXPJIKKOCQU-VIFPVBQESA-N -1 1 272.312 1.134 20 0 CDADMM C[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC12CCC2 ZINC001590273985 1173337378 /nfs/dbraw/zinc/33/73/78/1173337378.db2.gz DQJTVAKLZKYCEN-SNVBAGLBSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC12CCC2 ZINC001590273985 1173337389 /nfs/dbraw/zinc/33/73/89/1173337389.db2.gz DQJTVAKLZKYCEN-SNVBAGLBSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@@H]1COC[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001590323699 1173354986 /nfs/dbraw/zinc/35/49/86/1173354986.db2.gz ICORVQMBWUJDGA-UHNVWZDZSA-N -1 1 286.748 1.423 20 0 CDADMM C[C@@H]1COC[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001590323699 1173354993 /nfs/dbraw/zinc/35/49/93/1173354993.db2.gz ICORVQMBWUJDGA-UHNVWZDZSA-N -1 1 286.748 1.423 20 0 CDADMM C[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CCC1=O ZINC001590322061 1173355792 /nfs/dbraw/zinc/35/57/92/1173355792.db2.gz ZAGVIOONCAMMCS-RXMQYKEDSA-N -1 1 298.759 1.392 20 0 CDADMM C[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CCC1=O ZINC001590322061 1173355799 /nfs/dbraw/zinc/35/57/99/1173355799.db2.gz ZAGVIOONCAMMCS-RXMQYKEDSA-N -1 1 298.759 1.392 20 0 CDADMM C[C@H]1N(C(=O)c2coc(-c3nnn[n-]3)c2)CCOC1(C)C ZINC001590330882 1173362067 /nfs/dbraw/zinc/36/20/67/1173362067.db2.gz GJURVXMURPJOOW-MRVPVSSYSA-N -1 1 291.311 1.099 20 0 CDADMM C[C@H]1N(C(=O)c2coc(-c3nn[n-]n3)c2)CCOC1(C)C ZINC001590330882 1173362075 /nfs/dbraw/zinc/36/20/75/1173362075.db2.gz GJURVXMURPJOOW-MRVPVSSYSA-N -1 1 291.311 1.099 20 0 CDADMM CC[C@](C)(OC)c1noc(-c2coc(-c3nnn[n-]3)c2)n1 ZINC001590385392 1173386396 /nfs/dbraw/zinc/38/63/96/1173386396.db2.gz QCYHRWVPXXRKBK-LBPRGKRZSA-N -1 1 290.283 1.781 20 0 CDADMM CC[C@](C)(OC)c1noc(-c2coc(-c3nn[n-]n3)c2)n1 ZINC001590385392 1173386400 /nfs/dbraw/zinc/38/64/00/1173386400.db2.gz QCYHRWVPXXRKBK-LBPRGKRZSA-N -1 1 290.283 1.781 20 0 CDADMM CCC[C@@H]1C[C@H]1C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001590653808 1173483815 /nfs/dbraw/zinc/48/38/15/1173483815.db2.gz MMLNTMUMAGXDCX-BXKDBHETSA-N -1 1 287.323 1.713 20 0 CDADMM CCN(CC)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001590688654 1173491687 /nfs/dbraw/zinc/49/16/87/1173491687.db2.gz FOKVNZWQTXWVCH-UHFFFAOYSA-N -1 1 258.738 1.823 20 0 CDADMM CCN(CC)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001590688654 1173491691 /nfs/dbraw/zinc/49/16/91/1173491691.db2.gz FOKVNZWQTXWVCH-UHFFFAOYSA-N -1 1 258.738 1.823 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@@H]2CCSC2)n1 ZINC001590903854 1173538050 /nfs/dbraw/zinc/53/80/50/1173538050.db2.gz ZQLAGSGQVFXKFD-MRVPVSSYSA-N -1 1 291.384 1.161 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@@H]2CCSC2)n1 ZINC001590903854 1173538058 /nfs/dbraw/zinc/53/80/58/1173538058.db2.gz ZQLAGSGQVFXKFD-MRVPVSSYSA-N -1 1 291.384 1.161 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]2C(C)C)n1 ZINC001590906763 1173539625 /nfs/dbraw/zinc/53/96/25/1173539625.db2.gz XARBLLALWPWXAB-SNVBAGLBSA-N -1 1 273.344 1.454 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]2C(C)C)n1 ZINC001590906763 1173539632 /nfs/dbraw/zinc/53/96/32/1173539632.db2.gz XARBLLALWPWXAB-SNVBAGLBSA-N -1 1 273.344 1.454 20 0 CDADMM CCc1nc(NCC2(CC)CC2)cc(-c2nnn[n-]2)n1 ZINC001590917942 1173543406 /nfs/dbraw/zinc/54/34/06/1173543406.db2.gz GYYXJJWONOBMQH-UHFFFAOYSA-N -1 1 273.344 1.821 20 0 CDADMM CCc1nc(NCC2(CC)CC2)cc(-c2nn[n-]n2)n1 ZINC001590917942 1173543412 /nfs/dbraw/zinc/54/34/12/1173543412.db2.gz GYYXJJWONOBMQH-UHFFFAOYSA-N -1 1 273.344 1.821 20 0 CDADMM CCc1noc(C)c1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590936866 1173547122 /nfs/dbraw/zinc/54/71/22/1173547122.db2.gz ZUNPXQZNZDVRDX-UHFFFAOYSA-N -1 1 299.294 1.373 20 0 CDADMM CCc1noc(C)c1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590936866 1173547123 /nfs/dbraw/zinc/54/71/23/1173547123.db2.gz ZUNPXQZNZDVRDX-UHFFFAOYSA-N -1 1 299.294 1.373 20 0 CDADMM CCn1ccnc1Sc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590962047 1173554151 /nfs/dbraw/zinc/55/41/51/1173554151.db2.gz NNBNPKDBNVNLQW-UHFFFAOYSA-N -1 1 288.340 1.333 20 0 CDADMM CCn1ccnc1Sc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590962047 1173554157 /nfs/dbraw/zinc/55/41/57/1173554157.db2.gz NNBNPKDBNVNLQW-UHFFFAOYSA-N -1 1 288.340 1.333 20 0 CDADMM CN(Cc1ccc(-c2nnn[n-]2)o1)Cc1ccns1 ZINC001591138805 1173577069 /nfs/dbraw/zinc/57/70/69/1173577069.db2.gz JLPFUCIITFATDW-UHFFFAOYSA-N -1 1 276.325 1.548 20 0 CDADMM CN(Cc1ccc(-c2nn[n-]n2)o1)Cc1ccns1 ZINC001591138805 1173577080 /nfs/dbraw/zinc/57/70/80/1173577080.db2.gz JLPFUCIITFATDW-UHFFFAOYSA-N -1 1 276.325 1.548 20 0 CDADMM COC(=O)[C@H](C)CSCc1nc(-c2nnn[n-]2)cs1 ZINC001591228822 1173595790 /nfs/dbraw/zinc/59/57/90/1173595790.db2.gz IJVDQUQKLSHTBG-ZCFIWIBFSA-N -1 1 299.381 1.366 20 0 CDADMM COC(=O)[C@H](C)CSCc1nc(-c2nn[n-]n2)cs1 ZINC001591228822 1173595796 /nfs/dbraw/zinc/59/57/96/1173595796.db2.gz IJVDQUQKLSHTBG-ZCFIWIBFSA-N -1 1 299.381 1.366 20 0 CDADMM CO[C@](C)(CNc1cccnc1-c1nnn[n-]1)C1CC1 ZINC001591318436 1173605280 /nfs/dbraw/zinc/60/52/80/1173605280.db2.gz RTGFAXOPYUOSJG-CYBMUJFWSA-N -1 1 274.328 1.489 20 0 CDADMM CO[C@](C)(CNc1cccnc1-c1nn[n-]n1)C1CC1 ZINC001591318436 1173605283 /nfs/dbraw/zinc/60/52/83/1173605283.db2.gz RTGFAXOPYUOSJG-CYBMUJFWSA-N -1 1 274.328 1.489 20 0 CDADMM CO[C@@H]1[C@H](C)[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1(C)C ZINC001591346539 1173619790 /nfs/dbraw/zinc/61/97/90/1173619790.db2.gz WTVVFAFBGGEDLD-AVPPRXQKSA-N -1 1 289.343 1.128 20 0 CDADMM CO[C@@H]1[C@H](C)[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1(C)C ZINC001591346539 1173619792 /nfs/dbraw/zinc/61/97/92/1173619792.db2.gz WTVVFAFBGGEDLD-AVPPRXQKSA-N -1 1 289.343 1.128 20 0 CDADMM CO[C@@H]1CN(c2cc(C)cc(-c3nnn[n-]3)n2)CC[C@H]1C ZINC001591362654 1173631430 /nfs/dbraw/zinc/63/14/30/1173631430.db2.gz RHVCPDJQNSPHHA-ZYHUDNBSSA-N -1 1 288.355 1.431 20 0 CDADMM CO[C@@H]1CN(c2cc(C)cc(-c3nn[n-]n3)n2)CC[C@H]1C ZINC001591362654 1173631433 /nfs/dbraw/zinc/63/14/33/1173631433.db2.gz RHVCPDJQNSPHHA-ZYHUDNBSSA-N -1 1 288.355 1.431 20 0 CDADMM COC[C@@H](C)[C@@H](C)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001591372767 1173634866 /nfs/dbraw/zinc/63/48/66/1173634866.db2.gz ONJMQHNANPWSJW-RNFRBKRXSA-N -1 1 296.356 1.180 20 0 CDADMM COC[C@@H](C)[C@@H](C)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001591372767 1173634871 /nfs/dbraw/zinc/63/48/71/1173634871.db2.gz ONJMQHNANPWSJW-RNFRBKRXSA-N -1 1 296.356 1.180 20 0 CDADMM COCc1noc(-c2csc(-c3nn[n-]n3)c2)n1 ZINC001591461524 1173654616 /nfs/dbraw/zinc/65/46/16/1173654616.db2.gz UHPDKSUCMMSCSJ-UHFFFAOYSA-N -1 1 264.270 1.125 20 0 CDADMM COc1ccc(CN(C)c2ncncc2-c2nn[n-]n2)cc1 ZINC001591587948 1173671008 /nfs/dbraw/zinc/67/10/08/1173671008.db2.gz DIIAJWFBFULCHY-UHFFFAOYSA-N -1 1 297.322 1.302 20 0 CDADMM COc1ccc(Nc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001591617648 1173673791 /nfs/dbraw/zinc/67/37/91/1173673791.db2.gz QWCUHWZDLBVIKZ-UHFFFAOYSA-N -1 1 269.268 1.409 20 0 CDADMM COc1ccc(Nc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001591617648 1173673795 /nfs/dbraw/zinc/67/37/95/1173673795.db2.gz QWCUHWZDLBVIKZ-UHFFFAOYSA-N -1 1 269.268 1.409 20 0 CDADMM COc1ccc(Nc2ncncc2-c2nn[n-]n2)cc1OC ZINC001591617265 1173674498 /nfs/dbraw/zinc/67/44/98/1173674498.db2.gz GPOFEGZVQPWLAT-UHFFFAOYSA-N -1 1 299.294 1.418 20 0 CDADMM COc1ccc2c(c1)CCN2c1ncncc1-c1nn[n-]n1 ZINC001591626743 1173676504 /nfs/dbraw/zinc/67/65/04/1173676504.db2.gz MLTPPKKUVVNFEL-UHFFFAOYSA-N -1 1 295.306 1.360 20 0 CDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001591731581 1173691085 /nfs/dbraw/zinc/69/10/85/1173691085.db2.gz IETJQHHOXMAOBV-SECBINFHSA-N -1 1 267.296 1.830 20 0 CDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001591731581 1173691097 /nfs/dbraw/zinc/69/10/97/1173691097.db2.gz IETJQHHOXMAOBV-SECBINFHSA-N -1 1 267.296 1.830 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H]2c2cc[nH]n2)n1 ZINC001591888635 1173737524 /nfs/dbraw/zinc/73/75/24/1173737524.db2.gz MTUNHIOSBFCWQX-NSHDSACASA-N -1 1 297.326 1.030 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H]2c2cc[nH]n2)n1 ZINC001591888635 1173737529 /nfs/dbraw/zinc/73/75/29/1173737529.db2.gz MTUNHIOSBFCWQX-NSHDSACASA-N -1 1 297.326 1.030 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC3CCC2CC3)c1 ZINC001591885673 1173739897 /nfs/dbraw/zinc/73/98/97/1173739897.db2.gz RFMLWWUFCIXSMK-UHFFFAOYSA-N -1 1 270.340 1.949 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC3CCC2CC3)c1 ZINC001591885673 1173739899 /nfs/dbraw/zinc/73/98/99/1173739899.db2.gz RFMLWWUFCIXSMK-UHFFFAOYSA-N -1 1 270.340 1.949 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](C)n3ccnc32)n1 ZINC001591892598 1173740851 /nfs/dbraw/zinc/74/08/51/1173740851.db2.gz VERQNPAXWZYQOY-SCZZXKLOSA-N -1 1 297.326 1.280 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](C)n3ccnc32)n1 ZINC001591892598 1173740855 /nfs/dbraw/zinc/74/08/55/1173740855.db2.gz VERQNPAXWZYQOY-SCZZXKLOSA-N -1 1 297.326 1.280 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CCC[C@@H]3C2)n1 ZINC001591890740 1173742229 /nfs/dbraw/zinc/74/22/29/1173742229.db2.gz KGWAKMPEQZCBBA-AOOOYVTPSA-N -1 1 271.328 1.201 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CCC[C@@H]3C2)n1 ZINC001591890740 1173742233 /nfs/dbraw/zinc/74/22/33/1173742233.db2.gz KGWAKMPEQZCBBA-AOOOYVTPSA-N -1 1 271.328 1.201 20 0 CDADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)nc(C)n1 ZINC001592029701 1173775730 /nfs/dbraw/zinc/77/57/30/1173775730.db2.gz HMJJCYBWISXTIO-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1cc(NC[C@@H]2CCC=CO2)cc(-c2nnn[n-]2)n1 ZINC001592043736 1173784218 /nfs/dbraw/zinc/78/42/18/1173784218.db2.gz KEYQVBYETCMHLI-NSHDSACASA-N -1 1 272.312 1.675 20 0 CDADMM Cc1cc(NC[C@@H]2CCC=CO2)cc(-c2nn[n-]n2)n1 ZINC001592043736 1173784221 /nfs/dbraw/zinc/78/42/21/1173784221.db2.gz KEYQVBYETCMHLI-NSHDSACASA-N -1 1 272.312 1.675 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1C[C@H](C)[C@@H](C)C1 ZINC001592110232 1173802992 /nfs/dbraw/zinc/80/29/92/1173802992.db2.gz LXEHZMCWGYMOKU-UWVGGRQHSA-N -1 1 258.329 1.662 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H]1C[C@@H](C)O[C@@H]1C ZINC001592114020 1173804874 /nfs/dbraw/zinc/80/48/74/1173804874.db2.gz MDYSOGQOSUXPTJ-MXWKQRLJSA-N -1 1 288.355 1.796 20 0 CDADMM Cc1ccc(NC[C@@H]2CCOC[C@@H]2C)nc1-c1nnn[n-]1 ZINC001592183719 1173827415 /nfs/dbraw/zinc/82/74/15/1173827415.db2.gz VNPQDLYRBYUASO-QWRGUYRKSA-N -1 1 288.355 1.655 20 0 CDADMM Cc1ccc(NC[C@@H]2CCOC[C@@H]2C)nc1-c1nn[n-]n1 ZINC001592183719 1173827418 /nfs/dbraw/zinc/82/74/18/1173827418.db2.gz VNPQDLYRBYUASO-QWRGUYRKSA-N -1 1 288.355 1.655 20 0 CDADMM Cc1cccc(CCC(=O)Nc2c[nH]nc2-c2nn[n-]n2)c1 ZINC001592228748 1173833540 /nfs/dbraw/zinc/83/35/40/1173833540.db2.gz FRUQAXOENJXETK-UHFFFAOYSA-N -1 1 297.322 1.470 20 0 CDADMM Cc1nc(N[C@H]2CCS[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001592383276 1173876669 /nfs/dbraw/zinc/87/66/69/1173876669.db2.gz VJVCMCGEMVSJDI-CBAPKCEASA-N -1 1 291.384 1.661 20 0 CDADMM Cc1nc(N[C@H]2CCS[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001592383276 1173876677 /nfs/dbraw/zinc/87/66/77/1173876677.db2.gz VJVCMCGEMVSJDI-CBAPKCEASA-N -1 1 291.384 1.661 20 0 CDADMM Cc1nsc(NCC[C@H]2CCCOC2)c1-c1nn[n-]n1 ZINC001592492380 1173902232 /nfs/dbraw/zinc/90/22/32/1173902232.db2.gz YLVFRFHAUZETLP-SECBINFHSA-N -1 1 294.384 1.860 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCO[C@H](C)[C@@H]1C ZINC001592499182 1173904522 /nfs/dbraw/zinc/90/45/22/1173904522.db2.gz IQQNEWSMWCRRAJ-JGVFFNPUSA-N -1 1 291.311 1.018 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCO[C@H](C)[C@@H]1C ZINC001592499182 1173904527 /nfs/dbraw/zinc/90/45/27/1173904527.db2.gz IQQNEWSMWCRRAJ-JGVFFNPUSA-N -1 1 291.311 1.018 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CC[C@H]1C ZINC001592499988 1173907955 /nfs/dbraw/zinc/90/79/55/1173907955.db2.gz UDCHRHSEVGFOPQ-HZGVNTEJSA-N -1 1 261.285 1.296 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CC[C@H]1C ZINC001592499988 1173907959 /nfs/dbraw/zinc/90/79/59/1173907959.db2.gz UDCHRHSEVGFOPQ-HZGVNTEJSA-N -1 1 261.285 1.296 20 0 CDADMM Clc1ccc(COc2cccnc2-c2nnn[n-]2)cn1 ZINC001592531788 1173912452 /nfs/dbraw/zinc/91/24/52/1173912452.db2.gz YFGIQDGGMSMTOY-UHFFFAOYSA-N -1 1 288.698 1.889 20 0 CDADMM Clc1ccc(COc2cccnc2-c2nn[n-]n2)cn1 ZINC001592531788 1173912457 /nfs/dbraw/zinc/91/24/57/1173912457.db2.gz YFGIQDGGMSMTOY-UHFFFAOYSA-N -1 1 288.698 1.889 20 0 CDADMM Clc1nsc(NCCc2cc[nH]n2)c1-c1nn[n-]n1 ZINC001592541622 1173916102 /nfs/dbraw/zinc/91/61/02/1173916102.db2.gz HPCGKKYNPDIDRU-UHFFFAOYSA-N -1 1 296.747 1.354 20 0 CDADMM FC(F)Oc1ccc(Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001592626607 1173931642 /nfs/dbraw/zinc/93/16/42/1173931642.db2.gz MGKBCBPSAMMUSO-UHFFFAOYSA-N -1 1 293.237 1.108 20 0 CDADMM FC(F)[C@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001592625340 1173932831 /nfs/dbraw/zinc/93/28/31/1173932831.db2.gz UKILWGTXUVWDAQ-ZETCQYMHSA-N -1 1 266.255 1.353 20 0 CDADMM FC(F)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001592625340 1173932836 /nfs/dbraw/zinc/93/28/36/1173932836.db2.gz UKILWGTXUVWDAQ-ZETCQYMHSA-N -1 1 266.255 1.353 20 0 CDADMM O=C(C=Cc1ccco1)OCc1cccnc1-c1nnn[n-]1 ZINC001592802208 1173992229 /nfs/dbraw/zinc/99/22/29/1173992229.db2.gz PQJHIPYAFNWOFT-WAYWQWQTSA-N -1 1 297.274 1.611 20 0 CDADMM O=C(C=Cc1ccco1)OCc1cccnc1-c1nn[n-]n1 ZINC001592802208 1173992234 /nfs/dbraw/zinc/99/22/34/1173992234.db2.gz PQJHIPYAFNWOFT-WAYWQWQTSA-N -1 1 297.274 1.611 20 0 CDADMM O=C(NC/C=C/C1CC1)c1coc(-c2nnn[n-]2)c1 ZINC001593054947 1174017955 /nfs/dbraw/zinc/01/79/55/1174017955.db2.gz VJKUNHZCWPJKKY-OWOJBTEDSA-N -1 1 259.269 1.156 20 0 CDADMM O=C(NC/C=C/C1CC1)c1coc(-c2nn[n-]n2)c1 ZINC001593054947 1174017962 /nfs/dbraw/zinc/01/79/62/1174017962.db2.gz VJKUNHZCWPJKKY-OWOJBTEDSA-N -1 1 259.269 1.156 20 0 CDADMM O=C(NCCc1ccccc1)c1csc(-c2nn[n-]n2)c1 ZINC001593106692 1174021249 /nfs/dbraw/zinc/02/12/49/1174021249.db2.gz UPWLRCORELPADD-UHFFFAOYSA-N -1 1 299.359 1.901 20 0 CDADMM O=C(NCCOc1ccccc1)c1ccc(-c2nnn[n-]2)o1 ZINC001593100149 1174022079 /nfs/dbraw/zinc/02/20/79/1174022079.db2.gz TWJSYWDHYOEYAS-UHFFFAOYSA-N -1 1 299.290 1.269 20 0 CDADMM O=C(NCCOc1ccccc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593100149 1174022083 /nfs/dbraw/zinc/02/20/83/1174022083.db2.gz TWJSYWDHYOEYAS-UHFFFAOYSA-N -1 1 299.290 1.269 20 0 CDADMM O=C(NOC1CCC1)c1csc(-c2nn[n-]n2)c1 ZINC001593167664 1174030148 /nfs/dbraw/zinc/03/01/48/1174030148.db2.gz XZKIIOWCWYCZRT-UHFFFAOYSA-N -1 1 265.298 1.142 20 0 CDADMM O=C(Nc1cnc(C2CC2)nc1)c1coc(-c2nnn[n-]2)c1 ZINC001593258940 1174043270 /nfs/dbraw/zinc/04/32/70/1174043270.db2.gz VTIYBZNGEMDHJX-UHFFFAOYSA-N -1 1 297.278 1.379 20 0 CDADMM O=C(Nc1cnc(C2CC2)nc1)c1coc(-c2nn[n-]n2)c1 ZINC001593258940 1174043278 /nfs/dbraw/zinc/04/32/78/1174043278.db2.gz VTIYBZNGEMDHJX-UHFFFAOYSA-N -1 1 297.278 1.379 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CCSC1 ZINC001593267843 1174045953 /nfs/dbraw/zinc/04/59/53/1174045953.db2.gz KXUNYJIVOHYCII-YFKPBYRVSA-N -1 1 282.354 1.015 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CCSC1 ZINC001593267843 1174045959 /nfs/dbraw/zinc/04/59/59/1174045959.db2.gz KXUNYJIVOHYCII-YFKPBYRVSA-N -1 1 282.354 1.015 20 0 CDADMM O=C(OCC[C@H]1CC1(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC001593286049 1174050574 /nfs/dbraw/zinc/05/05/74/1174050574.db2.gz ARDMCVHOUFWMLB-QMMMGPOBSA-N -1 1 295.249 1.464 20 0 CDADMM O=C(OCC[C@H]1CC1(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC001593286049 1174050578 /nfs/dbraw/zinc/05/05/78/1174050578.db2.gz ARDMCVHOUFWMLB-QMMMGPOBSA-N -1 1 295.249 1.464 20 0 CDADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CCCCO1 ZINC001593327761 1174066943 /nfs/dbraw/zinc/06/69/43/1174066943.db2.gz KHOIXBZFACZVMY-UHFFFAOYSA-N -1 1 295.249 1.313 20 0 CDADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCCCO1 ZINC001593327761 1174066951 /nfs/dbraw/zinc/06/69/51/1174066951.db2.gz KHOIXBZFACZVMY-UHFFFAOYSA-N -1 1 295.249 1.313 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCc2cc(F)ccc21 ZINC001593368923 1174071066 /nfs/dbraw/zinc/07/10/66/1174071066.db2.gz CLVYQKUMZVIDDL-UHFFFAOYSA-N -1 1 299.265 1.802 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCc2cc(F)ccc21 ZINC001593368923 1174071076 /nfs/dbraw/zinc/07/10/76/1174071076.db2.gz CLVYQKUMZVIDDL-UHFFFAOYSA-N -1 1 299.265 1.802 20 0 CDADMM O=c1cc(C(F)F)ncn1Cc1ccc(-c2nnn[n-]2)o1 ZINC001593495767 1174087544 /nfs/dbraw/zinc/08/75/44/1174087544.db2.gz UTLCNZYDAVZRNN-UHFFFAOYSA-N -1 1 294.221 1.002 20 0 CDADMM O=c1cc(C(F)F)ncn1Cc1ccc(-c2nn[n-]n2)o1 ZINC001593495767 1174087549 /nfs/dbraw/zinc/08/75/49/1174087549.db2.gz UTLCNZYDAVZRNN-UHFFFAOYSA-N -1 1 294.221 1.002 20 0 CDADMM OCc1ccnc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC001593536034 1174110322 /nfs/dbraw/zinc/11/03/22/1174110322.db2.gz PMPDBNHKHUGKDQ-UHFFFAOYSA-N -1 1 259.294 1.483 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1CNCc1cc(C2CC2)no1 ZINC001593543266 1174112940 /nfs/dbraw/zinc/11/29/40/1174112940.db2.gz IMJHGKNEEZCNKS-UHFFFAOYSA-N -1 1 286.295 1.615 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC[C@H]1C[C@@H]1C1CCCC1 ZINC001593550919 1174125090 /nfs/dbraw/zinc/12/50/90/1174125090.db2.gz DWGZKYXHYQZTNC-GHMZBOCLSA-N -1 1 285.355 1.895 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC[C@H]1C[C@@H]1C1CCCC1 ZINC001593550919 1174125097 /nfs/dbraw/zinc/12/50/97/1174125097.db2.gz DWGZKYXHYQZTNC-GHMZBOCLSA-N -1 1 285.355 1.895 20 0 CDADMM c1cc(N[C@H]2CCOC3(CCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001593557926 1174133099 /nfs/dbraw/zinc/13/30/99/1174133099.db2.gz CLAUQCQBCGYBGB-NSHDSACASA-N -1 1 286.339 1.197 20 0 CDADMM c1cc(N[C@H]2CCOC3(CCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001593557926 1174133104 /nfs/dbraw/zinc/13/31/04/1174133104.db2.gz CLAUQCQBCGYBGB-NSHDSACASA-N -1 1 286.339 1.197 20 0 CDADMM c1cc(N[C@@H]2CC23CCCC3)cc(-c2nnn[n-]2)n1 ZINC001593557985 1174133884 /nfs/dbraw/zinc/13/38/84/1174133884.db2.gz FJBCWIFJTTZYTR-LLVKDONJSA-N -1 1 256.313 1.428 20 0 CDADMM c1cc(N[C@@H]2CC23CCCC3)cc(-c2nn[n-]n2)n1 ZINC001593557985 1174133887 /nfs/dbraw/zinc/13/38/87/1174133887.db2.gz FJBCWIFJTTZYTR-LLVKDONJSA-N -1 1 256.313 1.428 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OCc2ccc3nonc3c2)c1 ZINC001593584136 1174150536 /nfs/dbraw/zinc/15/05/36/1174150536.db2.gz HIMIUGOGCRVVML-UHFFFAOYSA-N -1 1 295.262 1.377 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OCc2ccc3nonc3c2)c1 ZINC001593584136 1174150544 /nfs/dbraw/zinc/15/05/44/1174150544.db2.gz HIMIUGOGCRVVML-UHFFFAOYSA-N -1 1 295.262 1.377 20 0 CDADMM c1cnc([C@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)nc1 ZINC001593585323 1174154074 /nfs/dbraw/zinc/15/40/74/1174154074.db2.gz RCHFUUBJQNABGR-LLVKDONJSA-N -1 1 295.310 1.010 20 0 CDADMM c1cnc([C@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)nc1 ZINC001593585323 1174154086 /nfs/dbraw/zinc/15/40/86/1174154086.db2.gz RCHFUUBJQNABGR-LLVKDONJSA-N -1 1 295.310 1.010 20 0 CDADMM c1ncc(N2CCC23CCCC3)nc1-c1nnn[n-]1 ZINC001593593952 1174162861 /nfs/dbraw/zinc/16/28/61/1174162861.db2.gz XNEFTGHCXZYJTB-UHFFFAOYSA-N -1 1 257.301 1.180 20 0 CDADMM c1ncc(N2CCC23CCCC3)nc1-c1nn[n-]n1 ZINC001593593952 1174162862 /nfs/dbraw/zinc/16/28/62/1174162862.db2.gz XNEFTGHCXZYJTB-UHFFFAOYSA-N -1 1 257.301 1.180 20 0 CDADMM Cc1cc(CN2C[C@@H](O)C[C@@H]2C(=O)[O-])cc(C)c1O ZINC001600192171 1174398062 /nfs/dbraw/zinc/39/80/62/1174398062.db2.gz MRYZQKQQGFKVMT-NWDGAFQWSA-N -1 1 265.309 1.029 20 0 CDADMM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)c1cnncc1O ZINC001600346157 1174450163 /nfs/dbraw/zinc/45/01/63/1174450163.db2.gz UVAIETRQMFUJLQ-UHFFFAOYSA-N -1 1 289.247 1.147 20 0 CDADMM COC[C@@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000095244871 1174518356 /nfs/dbraw/zinc/51/83/56/1174518356.db2.gz RZDRITWWMDHJJE-YFKPBYRVSA-N -1 1 288.764 1.671 20 0 CDADMM COC[C@@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000095244871 1174518362 /nfs/dbraw/zinc/51/83/62/1174518362.db2.gz RZDRITWWMDHJJE-YFKPBYRVSA-N -1 1 288.764 1.671 20 0 CDADMM C[C@@H]1CCC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC000095254206 1174519744 /nfs/dbraw/zinc/51/97/44/1174519744.db2.gz RAVBDUSNOABXHP-NXEZZACHSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1CCC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC000095254206 1174519747 /nfs/dbraw/zinc/51/97/47/1174519747.db2.gz RAVBDUSNOABXHP-NXEZZACHSA-N -1 1 273.344 1.672 20 0 CDADMM Cc1ccnc([C@@H]2CCN(Cc3cnc(C(=O)[O-])cn3)C2)c1 ZINC001600599692 1174521505 /nfs/dbraw/zinc/52/15/05/1174521505.db2.gz AUTHHTUYRQQMSM-GFCCVEGCSA-N -1 1 298.346 1.868 20 0 CDADMM Cc1cnc([C@H](C)N2CCSC[C@@H](C(=O)[O-])C2)o1 ZINC001600618011 1174531057 /nfs/dbraw/zinc/53/10/57/1174531057.db2.gz CQUDZRMXMBCUCN-UWVGGRQHSA-N -1 1 270.354 1.794 20 0 CDADMM Cc1oc(C(=O)[O-])cc1CN1C[C@@H](O)C2(CC2)C1 ZINC001600828813 1174634661 /nfs/dbraw/zinc/63/46/61/1174634661.db2.gz GEHJNSKGUSEWEA-LLVKDONJSA-N -1 1 251.282 1.243 20 0 CDADMM Cn1c(CN[C@]2(CC(=O)[O-])CCOC2)nc2ccccc21 ZINC001600916551 1174663456 /nfs/dbraw/zinc/66/34/56/1174663456.db2.gz JASGTERZWYNCNB-HNNXBMFYSA-N -1 1 289.335 1.297 20 0 CDADMM C[C@H]1CSCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC000103598956 1174681378 /nfs/dbraw/zinc/68/13/78/1174681378.db2.gz HEPYJUJQVPRTBD-QMMMGPOBSA-N -1 1 262.342 1.203 20 0 CDADMM C[C@H]1CSCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC000103598956 1174681382 /nfs/dbraw/zinc/68/13/82/1174681382.db2.gz HEPYJUJQVPRTBD-QMMMGPOBSA-N -1 1 262.342 1.203 20 0 CDADMM Cc1n[nH]cc1CCCNc1ccnc(-c2nn[n-]n2)c1 ZINC000103634040 1174684481 /nfs/dbraw/zinc/68/44/81/1174684481.db2.gz CCBFKXZGKDVPRW-UHFFFAOYSA-N -1 1 284.327 1.338 20 0 CDADMM Cn1cnc(CNCc2ccnc3c(C(=O)[O-])cccc23)c1 ZINC001600989941 1174694135 /nfs/dbraw/zinc/69/41/35/1174694135.db2.gz VVUVRJIXNOVWLW-UHFFFAOYSA-N -1 1 296.330 1.956 20 0 CDADMM CS(=O)(=O)c1ccc2nc(-c3ccc(=O)[nH]c3)[n-]c2c1 ZINC000106498986 1174739308 /nfs/dbraw/zinc/73/93/08/1174739308.db2.gz NCNGPAVUZDZBOW-UHFFFAOYSA-N -1 1 289.316 1.322 20 0 CDADMM CS(=O)(=O)c1ccc2[n-]c(-c3ccc(=O)[nH]c3)nc2c1 ZINC000106498986 1174739313 /nfs/dbraw/zinc/73/93/13/1174739313.db2.gz NCNGPAVUZDZBOW-UHFFFAOYSA-N -1 1 289.316 1.322 20 0 CDADMM O=C([O-])c1sccc1C(=O)Nc1ccc2[nH]nnc2c1 ZINC001601612308 1174912843 /nfs/dbraw/zinc/91/28/43/1174912843.db2.gz ZIAAQDFMDGCALO-UHFFFAOYSA-N -1 1 288.288 1.970 20 0 CDADMM O=C([O-])[C@@H](c1ccsc1)N1CCN2C(=O)CC[C@@H]2C1 ZINC001601698273 1174951515 /nfs/dbraw/zinc/95/15/15/1174951515.db2.gz VQDVGOBSGONGEE-ZYHUDNBSSA-N -1 1 280.349 1.180 20 0 CDADMM O=C([O-])C12CC(c3nc([C@@H]4CN5CCC4CC5)no3)(C1)C2 ZINC001601731044 1174973263 /nfs/dbraw/zinc/97/32/63/1174973263.db2.gz WTMAVFXQYLKABF-SFNBMPIDSA-N -1 1 289.335 1.385 20 0 CDADMM O=C([O-])[C@@H]1[C@H](O)CCCN1CCOc1ccc(F)cc1 ZINC001601757454 1174991350 /nfs/dbraw/zinc/99/13/50/1174991350.db2.gz XGBKJLXVBIPAJT-OLZOCXBDSA-N -1 1 283.299 1.114 20 0 CDADMM O=C([O-])[C@H]1CCN(CN2CC[C@H](c3ccccc3)C2=O)C1 ZINC001601825674 1175023143 /nfs/dbraw/zinc/02/31/43/1175023143.db2.gz KGWLGPGLUUBIMW-UONOGXRCSA-N -1 1 288.347 1.367 20 0 CDADMM O=C([O-])[C@H]1CCN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC001601834995 1175029645 /nfs/dbraw/zinc/02/96/45/1175029645.db2.gz QZRACYGNGCQJGQ-GFCCVEGCSA-N -1 1 277.324 1.757 20 0 CDADMM O=C([O-])C[C@@]1(NCc2cccnc2Cl)CCOC1 ZINC001601936167 1175073752 /nfs/dbraw/zinc/07/37/52/1175073752.db2.gz QBACYWMONMJASS-LBPRGKRZSA-N -1 1 270.716 1.458 20 0 CDADMM O=C([O-])COc1ccccc1CNCc1ccnc(F)c1 ZINC001602095493 1175129324 /nfs/dbraw/zinc/12/93/24/1175129324.db2.gz WRTYOKFJVFYHGK-UHFFFAOYSA-N -1 1 290.294 1.974 20 0 CDADMM O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)[nH]1 ZINC001602337047 1175212484 /nfs/dbraw/zinc/21/24/84/1175212484.db2.gz IOKHBVINHQMNQC-MRVPVSSYSA-N -1 1 252.270 1.010 20 0 CDADMM O=C([O-])c1ccc(NC(=O)[C@H]2CCCc3n[nH]nc32)cc1 ZINC001602373488 1175226471 /nfs/dbraw/zinc/22/64/71/1175226471.db2.gz JCRHDTUGDXEUGR-JTQLQIEISA-N -1 1 286.291 1.562 20 0 CDADMM O=C([O-])c1ccc2c(c1)CN(C[C@H](O)c1ccccn1)CC2 ZINC001602421233 1175234371 /nfs/dbraw/zinc/23/43/71/1175234371.db2.gz ZDJHCBQAGHLBDK-INIZCTEOSA-N -1 1 298.342 1.872 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)C3CSC3)[nH]c21 ZINC001602454192 1175246345 /nfs/dbraw/zinc/24/63/45/1175246345.db2.gz KZSYNBIHIKDDOC-UHFFFAOYSA-N -1 1 277.305 1.563 20 0 CDADMM O=C([O-])c1cn(CN2CC[C@@H]3CCCC[C@H]3C2)nn1 ZINC001602504852 1175263015 /nfs/dbraw/zinc/26/30/15/1175263015.db2.gz ABERYQRZZHKRSD-QWRGUYRKSA-N -1 1 264.329 1.446 20 0 CDADMM O=C([O-])c1cnc(CNCCOc2ncccc2F)s1 ZINC001602523115 1175271058 /nfs/dbraw/zinc/27/10/58/1175271058.db2.gz KHSZPEWVBZBJMY-UHFFFAOYSA-N -1 1 297.311 1.544 20 0 CDADMM CC(=O)Nc1ccc(Oc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001602953138 1175457520 /nfs/dbraw/zinc/45/75/20/1175457520.db2.gz ULMPSXFFOWXZSW-UHFFFAOYSA-N -1 1 297.278 1.407 20 0 CDADMM CC(=O)Nc1ccc(Oc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001602953138 1175457522 /nfs/dbraw/zinc/45/75/22/1175457522.db2.gz ULMPSXFFOWXZSW-UHFFFAOYSA-N -1 1 297.278 1.407 20 0 CDADMM CC(=O)c1ccc(Cn2ccc(-c3nn[n-]n3)cc2=O)cc1 ZINC001602976661 1175469436 /nfs/dbraw/zinc/46/94/36/1175469436.db2.gz PLLRYFHEFASEMP-UHFFFAOYSA-N -1 1 295.302 1.279 20 0 CDADMM CC(C)(C)[C@@H]1CCC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001603066652 1175485389 /nfs/dbraw/zinc/48/53/89/1175485389.db2.gz UGGVNNBJIQFTAF-ZJUUUORDSA-N -1 1 287.371 1.705 20 0 CDADMM C[C@@H](C(=O)N(C)C)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001603133950 1175497920 /nfs/dbraw/zinc/49/79/20/1175497920.db2.gz PTSNJGOZJYUEQG-NSHDSACASA-N -1 1 294.351 1.059 20 0 CDADMM CC(C)(C(=O)N1CCc2ccc(C(=O)[O-])cc21)c1cnc[nH]1 ZINC001603232207 1175523148 /nfs/dbraw/zinc/52/31/48/1175523148.db2.gz YXONAAUXQBWVOY-UHFFFAOYSA-N -1 1 299.330 1.975 20 0 CDADMM Cn1c(CCNC(=O)c2ncccc2[O-])nc2ccccc21 ZINC000126975970 1175529808 /nfs/dbraw/zinc/52/98/08/1175529808.db2.gz MMOCPNAGNGYZOT-UHFFFAOYSA-N -1 1 296.330 1.646 20 0 CDADMM CC(C)CSCCNc1cncc(-c2nnn[n-]2)n1 ZINC001603304138 1175535295 /nfs/dbraw/zinc/53/52/95/1175535295.db2.gz FNQJNIUQMUSPHK-UHFFFAOYSA-N -1 1 279.373 1.458 20 0 CDADMM CC(C)CSCCNc1cncc(-c2nn[n-]n2)n1 ZINC001603304138 1175535300 /nfs/dbraw/zinc/53/53/00/1175535300.db2.gz FNQJNIUQMUSPHK-UHFFFAOYSA-N -1 1 279.373 1.458 20 0 CDADMM C[C@H](CNc1cccnc1-c1nnn[n-]1)CC(F)F ZINC001603558081 1175565296 /nfs/dbraw/zinc/56/52/96/1175565296.db2.gz CRLVZDYLHSRNEW-ZETCQYMHSA-N -1 1 268.271 1.965 20 0 CDADMM C[C@H](CNc1cccnc1-c1nn[n-]n1)CC(F)F ZINC001603558081 1175565298 /nfs/dbraw/zinc/56/52/98/1175565298.db2.gz CRLVZDYLHSRNEW-ZETCQYMHSA-N -1 1 268.271 1.965 20 0 CDADMM C[C@H](F)CCNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001603598311 1175574180 /nfs/dbraw/zinc/57/41/80/1175574180.db2.gz IGDULONMXZCHNF-LURJTMIESA-N -1 1 298.709 1.393 20 0 CDADMM 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CC[C@@H](C)C[C@H](CO)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590405017 1173391391 /nfs/dbraw/zinc/39/13/91/1173391391.db2.gz TYJAKTAFZBRZIE-VXNVDRBHSA-N -1 1 296.400 1.841 20 0 CDADMM CC[C@H](C)C[C@@H](CO)Nc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001590406391 1173393073 /nfs/dbraw/zinc/39/30/73/1173393073.db2.gz NAQORLCNOZDLHR-ONGXEEELSA-N -1 1 290.371 1.779 20 0 CDADMM CC[C@H](C)C[C@@H](CO)Nc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001590406391 1173393079 /nfs/dbraw/zinc/39/30/79/1173393079.db2.gz NAQORLCNOZDLHR-ONGXEEELSA-N -1 1 290.371 1.779 20 0 CDADMM C[C@H]1CN(C)c2ccccc2N(Cc2nc(=O)n(C)[n-]2)C1 ZINC000329675593 278426026 /nfs/dbraw/zinc/42/60/26/278426026.db2.gz PDGMWQFZIBIXBE-NSHDSACASA-N -1 1 287.367 1.201 20 0 CDADMM CCCC[C@H](Sc1nc2[nH]ncc2c(=O)[nH]1)C(=O)[O-] ZINC000036673835 279140788 /nfs/dbraw/zinc/14/07/88/279140788.db2.gz MFPRPMHLGOCRFC-ZETCQYMHSA-N -1 1 282.325 1.382 20 0 CDADMM CC[C@H](CC(F)F)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590424075 1173405621 /nfs/dbraw/zinc/40/56/21/1173405621.db2.gz 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CCCCC(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001590573509 1173465168 /nfs/dbraw/zinc/46/51/68/1173465168.db2.gz VFIIEBKVYGTUGV-UHFFFAOYSA-N -1 1 263.305 1.037 20 0 CDADMM Cc1cnc(SC[C@@H]2CCNC(=O)CC2)[n-]c1=O ZINC000568271970 294006045 /nfs/dbraw/zinc/00/60/45/294006045.db2.gz LZGUXLYTMVFDCP-VIFPVBQESA-N -1 1 267.354 1.499 20 0 CDADMM O=C(COCC1CCCC1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000568960453 294128707 /nfs/dbraw/zinc/12/87/07/294128707.db2.gz ULGUXNCOHHIDHL-UHFFFAOYSA-N -1 1 292.261 1.969 20 0 CDADMM CCN(CC(C)C)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590681292 1173489119 /nfs/dbraw/zinc/48/91/19/1173489119.db2.gz RVIPPZRRIUMAFL-UHFFFAOYSA-N -1 1 289.343 1.772 20 0 CDADMM CCN(CC(C)C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590681292 1173489124 /nfs/dbraw/zinc/48/91/24/1173489124.db2.gz RVIPPZRRIUMAFL-UHFFFAOYSA-N -1 1 289.343 1.772 20 0 CDADMM CCOCCN(CC)c1ccnc(-c2nnn[n-]2)c1 ZINC001590812616 1173519999 /nfs/dbraw/zinc/51/99/99/1173519999.db2.gz CXGLZOHATWEROG-UHFFFAOYSA-N -1 1 262.317 1.125 20 0 CDADMM 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ZINC000579764268 324275580 /nfs/dbraw/zinc/27/55/80/324275580.db2.gz QZDJBAYLKQQJEN-KEYDSSBGSA-N -1 1 254.355 1.129 20 0 CDADMM Cc1nsc(NC(=O)C2(F)CC2)c1-c1nnn[n-]1 ZINC001592480209 1173898620 /nfs/dbraw/zinc/89/86/20/1173898620.db2.gz WLOIKKXCQTUIFX-UHFFFAOYSA-N -1 1 268.277 1.072 20 0 CDADMM Cc1nsc(NC(=O)C2(F)CC2)c1-c1nn[n-]n1 ZINC001592480209 1173898625 /nfs/dbraw/zinc/89/86/25/1173898625.db2.gz WLOIKKXCQTUIFX-UHFFFAOYSA-N -1 1 268.277 1.072 20 0 CDADMM Cc1nsc(N2CC(CC(F)F)C2)c1-c1nn[n-]n1 ZINC001592472109 1173898837 /nfs/dbraw/zinc/89/88/37/1173898837.db2.gz PGXFORVBIWOPQJ-UHFFFAOYSA-N -1 1 286.311 1.723 20 0 CDADMM CCCCn1nnnc1CSc1ncc(C)c(=O)[n-]1 ZINC000583033789 325094677 /nfs/dbraw/zinc/09/46/77/325094677.db2.gz BGPDPWMLPXMDRJ-UHFFFAOYSA-N -1 1 280.357 1.570 20 0 CDADMM Cc1nsc(N2CC[C@@H](C)[C@H](CO)C2)c1-c1nn[n-]n1 ZINC001592472448 1173899209 /nfs/dbraw/zinc/89/92/09/1173899209.db2.gz JWUZHUFGSIOJBG-APPZFPTMSA-N -1 1 294.384 1.086 20 0 CDADMM Cc1nsc(NCc2ccc(F)cn2)c1-c1nn[n-]n1 ZINC001592492934 1173902834 /nfs/dbraw/zinc/90/28/34/1173902834.db2.gz FKJJXKJGGXEOKH-UHFFFAOYSA-N -1 1 291.315 1.778 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCC(C)(F)F ZINC001592501124 1173909268 /nfs/dbraw/zinc/90/92/68/1173909268.db2.gz CYBHDKKOJCYGDM-UHFFFAOYSA-N -1 1 285.254 1.543 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@]1(C)CCCO1 ZINC001592503395 1173909318 /nfs/dbraw/zinc/90/93/18/1173909318.db2.gz IEQDGCGJKRBMSE-ZDUSSCGKSA-N -1 1 292.295 1.494 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@]1(C)CCCO1 ZINC001592503395 1173909327 /nfs/dbraw/zinc/90/93/27/1173909327.db2.gz IEQDGCGJKRBMSE-ZDUSSCGKSA-N -1 1 292.295 1.494 20 0 CDADMM Cc1occc1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592511339 1173910944 /nfs/dbraw/zinc/91/09/44/1173910944.db2.gz QSPFHDOEDGYKPR-UHFFFAOYSA-N -1 1 270.252 1.415 20 0 CDADMM Cc1occc1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592511339 1173910948 /nfs/dbraw/zinc/91/09/48/1173910948.db2.gz QSPFHDOEDGYKPR-UHFFFAOYSA-N -1 1 270.252 1.415 20 0 CDADMM CC(C)(C)c1nc(CN(CC(=O)[O-])C2CCCC2)n[nH]1 ZINC000584362485 329103250 /nfs/dbraw/zinc/10/32/50/329103250.db2.gz COWKMXBXWBNZBS-UHFFFAOYSA-N -1 1 280.372 1.931 20 0 CDADMM C[C@H]1CCN(Cc2cc(C(=O)[O-])n[nH]2)CC1(C)C ZINC001350624135 1159210857 /nfs/dbraw/zinc/21/08/57/1159210857.db2.gz YNWWDPBHZSDVML-VIFPVBQESA-N -1 1 251.330 1.976 20 0 CDADMM O=C(OCCO)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801358738 782113783 /nfs/dbraw/zinc/11/37/83/782113783.db2.gz OMASHTDNWAQGGW-UHFFFAOYSA-N -1 1 282.683 1.380 20 0 CDADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H](C)CCCO ZINC000384641649 1160350414 /nfs/dbraw/zinc/35/04/14/1160350414.db2.gz XKKJEVWUFOWGHL-MRVPVSSYSA-N -1 1 299.396 1.351 20 0 CDADMM CO[C@H](C)CS(=O)(=O)[N-]c1cnn(CC2CC2)c1 ZINC000193332133 482316394 /nfs/dbraw/zinc/31/63/94/482316394.db2.gz RZGRBCYVNWSMPM-SECBINFHSA-N -1 1 273.358 1.070 20 0 CDADMM O=C(NCc1nn[n-]n1)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000671719607 482528868 /nfs/dbraw/zinc/52/88/68/482528868.db2.gz KWGUCZXLTWWVSO-GMTAPVOTSA-N -1 1 263.345 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273.340 1.842 20 0 CDADMM CC(C)c1ncc2c(n1)CN(CCCC(=O)[O-])CC2 ZINC000680019418 483517866 /nfs/dbraw/zinc/51/78/66/483517866.db2.gz ZRCCZKULBVXVOY-UHFFFAOYSA-N -1 1 263.341 1.823 20 0 CDADMM CSc1ccncc1[N-]C(=O)c1ccc(C(N)=O)o1 ZINC000676576487 483533584 /nfs/dbraw/zinc/53/35/84/483533584.db2.gz QUMGNWHKGJGHKK-UHFFFAOYSA-N -1 1 277.305 1.748 20 0 CDADMM Cc1n[nH]c(C(=O)NCc2nc3ccc(C)cc3[nH]2)c1[O-] ZINC000676700699 483565695 /nfs/dbraw/zinc/56/56/95/483565695.db2.gz QQEDMQSUYZPXBM-UHFFFAOYSA-N -1 1 285.307 1.538 20 0 CDADMM O=C(N[C@H]1COc2cc(F)cc(F)c21)c1ncccc1[O-] ZINC000680327494 483583489 /nfs/dbraw/zinc/58/34/89/483583489.db2.gz MNZJEBMRXADMSF-VIFPVBQESA-N -1 1 292.241 1.929 20 0 CDADMM CN(C)c1nc(Nc2ccncc2Cl)c(N=O)c(=O)[n-]1 ZINC001212150640 1160970711 /nfs/dbraw/zinc/97/07/11/1160970711.db2.gz CEEGKAIKJXZCRE-UHFFFAOYSA-N -1 1 294.702 1.860 20 0 CDADMM CCCOCC(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067079168 520237692 /nfs/dbraw/zinc/23/76/92/520237692.db2.gz NSLIGXIDPCNMLK-UHFFFAOYSA-N -1 1 284.385 1.361 20 0 CDADMM CCOC(=O)CN(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000049607800 520742702 /nfs/dbraw/zinc/74/27/02/520742702.db2.gz UWTDVBYKQTUSHD-UHFFFAOYSA-N -1 1 271.700 1.681 20 0 CDADMM CCC[C@@H](N[C@@H]1CCN(c2ccccc2)C1=O)C(=O)[O-] ZINC000185037330 520790256 /nfs/dbraw/zinc/79/02/56/520790256.db2.gz NTLPZGJHUZPAKA-CHWSQXEVSA-N -1 1 276.336 1.635 20 0 CDADMM CCC[C@H](NC(=O)[C@@H](C)c1ccccc1)c1nn[n-]n1 ZINC000183483222 521136179 /nfs/dbraw/zinc/13/61/79/521136179.db2.gz HAGSZEJNGRONJJ-JQWIXIFHSA-N -1 1 273.340 1.961 20 0 CDADMM CCC[C@H](NCC(=O)NCc1ccc(C)c(F)c1)C(=O)[O-] ZINC000036840210 521155284 /nfs/dbraw/zinc/15/52/84/521155284.db2.gz QHXGIPWASFVOSX-ZDUSSCGKSA-N -1 1 296.342 1.593 20 0 CDADMM CCCCn1ncc([N-]S(=O)(=O)C[C@@H](C)OC)c1C ZINC000337882442 521405617 /nfs/dbraw/zinc/40/56/17/521405617.db2.gz ZCCGGCQARACKNY-SNVBAGLBSA-N -1 1 289.401 1.768 20 0 CDADMM COCCN(CCOc1ccccc1C)CC(=O)[O-] ZINC000049607600 523727785 /nfs/dbraw/zinc/72/77/85/523727785.db2.gz YKZCCELBKNWFLR-UHFFFAOYSA-N 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ORTMKBQBUFYZHO-ZETCQYMHSA-N -1 1 267.354 1.628 20 0 CDADMM Cc1cnc(C[N-]S(=O)(=O)c2c(C)cccc2F)o1 ZINC000185009568 526042524 /nfs/dbraw/zinc/04/25/24/526042524.db2.gz UAAJNVFTDDHPCP-UHFFFAOYSA-N -1 1 284.312 1.909 20 0 CDADMM CCCC1(CNC(=O)c2c[n-]c3c(cnn3C)c2=O)CC1 ZINC000119348910 534915778 /nfs/dbraw/zinc/91/57/78/534915778.db2.gz YAYBVZGKKNPYCR-UHFFFAOYSA-N -1 1 288.351 1.984 20 0 CDADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H](O)C1 ZINC000061712643 526639347 /nfs/dbraw/zinc/63/93/47/526639347.db2.gz RGZNVOVUZNNCGQ-LBPRGKRZSA-N -1 1 257.289 1.752 20 0 CDADMM O=C(NCc1ccc2c(c1)COC2)c1cncc([O-])c1 ZINC000339964874 526696652 /nfs/dbraw/zinc/69/66/52/526696652.db2.gz IEYCSZXBZJELCN-UHFFFAOYSA-N -1 1 270.288 1.747 20 0 CDADMM O=C(COc1ccc(F)cc1F)Nc1ccncc1[O-] ZINC000336894417 526961630 /nfs/dbraw/zinc/96/16/30/526961630.db2.gz LXRJHRQKKIHAID-UHFFFAOYSA-N -1 1 280.230 1.505 20 0 CDADMM O=C(NCC1(CO)CCCC1)c1ccc([O-])cc1F ZINC000187019763 527567900 /nfs/dbraw/zinc/56/79/00/527567900.db2.gz 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267.712 1.605 20 0 CDADMM CCc1ccccc1NC(=O)[C@@H](C)N(C)CCC(=O)[O-] ZINC000818339281 596997065 /nfs/dbraw/zinc/99/70/65/596997065.db2.gz HQZYWEPSOIYWHT-LLVKDONJSA-N -1 1 278.352 1.983 20 0 CDADMM O=C([O-])CSCC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000819543750 597278246 /nfs/dbraw/zinc/27/82/46/597278246.db2.gz UPMDHJRXTZLMQI-UHFFFAOYSA-N -1 1 283.231 1.185 20 0 CDADMM O=C([O-])CCN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000821524581 597377939 /nfs/dbraw/zinc/37/79/39/597377939.db2.gz BAKZIHATBMVEMW-SKDRFNHKSA-N -1 1 271.263 1.547 20 0 CDADMM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000062117418 597504520 /nfs/dbraw/zinc/50/45/20/597504520.db2.gz WVINEIQRVWLHRS-MRVPVSSYSA-N -1 1 269.684 1.592 20 0 CDADMM CCc1ccccc1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821492188 607317620 /nfs/dbraw/zinc/31/76/20/607317620.db2.gz JRFNQSUENNGROG-UHFFFAOYSA-N -1 1 297.322 1.415 20 0 CDADMM CCc1ccccc1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821492188 607317621 /nfs/dbraw/zinc/31/76/21/607317621.db2.gz 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/nfs/dbraw/zinc/24/31/97/606243197.db2.gz DPIXKOXERWFZKR-TVQRCGJNSA-N -1 1 289.343 1.010 20 0 CDADMM C[C@@H]1C[C@@H]1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820666169 606453560 /nfs/dbraw/zinc/45/35/60/606453560.db2.gz HCSDAEWGEBJCLS-RNFRBKRXSA-N -1 1 264.720 1.983 20 0 CDADMM C[C@@H]1C[C@@H]1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820666169 606453561 /nfs/dbraw/zinc/45/35/61/606453561.db2.gz HCSDAEWGEBJCLS-RNFRBKRXSA-N -1 1 264.720 1.983 20 0 CDADMM CC[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820981335 606546922 /nfs/dbraw/zinc/54/69/22/606546922.db2.gz REUPVYCZEDWQHQ-QMMMGPOBSA-N -1 1 277.353 1.943 20 0 CDADMM CC[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820981335 606546924 /nfs/dbraw/zinc/54/69/24/606546924.db2.gz REUPVYCZEDWQHQ-QMMMGPOBSA-N -1 1 277.353 1.943 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CCS1 ZINC000820742212 606550260 /nfs/dbraw/zinc/55/02/60/606550260.db2.gz IBXUDJHCVFRYFG-ZETCQYMHSA-N -1 1 295.393 1.506 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)CCS1 ZINC000820742212 606550259 /nfs/dbraw/zinc/55/02/59/606550259.db2.gz IBXUDJHCVFRYFG-ZETCQYMHSA-N -1 1 295.393 1.506 20 0 CDADMM CSC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821956005 606567934 /nfs/dbraw/zinc/56/79/34/606567934.db2.gz DXKVWUZEJGOTIO-ZCFIWIBFSA-N -1 1 283.382 1.410 20 0 CDADMM CSC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821956005 606567935 /nfs/dbraw/zinc/56/79/35/606567935.db2.gz DXKVWUZEJGOTIO-ZCFIWIBFSA-N -1 1 283.382 1.410 20 0 CDADMM CC(C)C1(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC000820038822 606609190 /nfs/dbraw/zinc/60/91/90/606609190.db2.gz SJLCPABECHQYRM-UHFFFAOYSA-N -1 1 259.317 1.505 20 0 CDADMM CC(C)C1(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC000820038822 606609192 /nfs/dbraw/zinc/60/91/92/606609192.db2.gz SJLCPABECHQYRM-UHFFFAOYSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1ccco1 ZINC000819884195 606651918 /nfs/dbraw/zinc/65/19/18/606651918.db2.gz TXXIKIUJEDBFPX-VIFPVBQESA-N -1 1 299.290 1.702 20 0 CDADMM C[C@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1ccco1 ZINC000819884195 606651919 /nfs/dbraw/zinc/65/19/19/606651919.db2.gz TXXIKIUJEDBFPX-VIFPVBQESA-N -1 1 299.290 1.702 20 0 CDADMM CC(C)=CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820004951 606653361 /nfs/dbraw/zinc/65/33/61/606653361.db2.gz GDPYBFJVJYBLDC-UHFFFAOYSA-N -1 1 259.269 1.271 20 0 CDADMM CC(C)=CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820004951 606653362 /nfs/dbraw/zinc/65/33/62/606653362.db2.gz GDPYBFJVJYBLDC-UHFFFAOYSA-N -1 1 259.269 1.271 20 0 CDADMM C[C@@H](CCCO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000820241608 606730715 /nfs/dbraw/zinc/73/07/15/606730715.db2.gz HZCUEUTYGUIFFX-YFKPBYRVSA-N -1 1 288.764 1.550 20 0 CDADMM C[C@@H](CCCO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820241608 606730717 /nfs/dbraw/zinc/73/07/17/606730717.db2.gz HZCUEUTYGUIFFX-YFKPBYRVSA-N -1 1 288.764 1.550 20 0 CDADMM C[C@H]1CC[C@H](C)N1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820684108 606907371 /nfs/dbraw/zinc/90/73/71/606907371.db2.gz MDQLECVBMBNBRO-YUMQZZPRSA-N -1 1 290.331 1.005 20 0 CDADMM C[C@H]1CC[C@H](C)N1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820684108 606907373 /nfs/dbraw/zinc/90/73/73/606907373.db2.gz MDQLECVBMBNBRO-YUMQZZPRSA-N -1 1 290.331 1.005 20 0 CDADMM CN(CCc1nccs1)c1cccc(-c2nnn[n-]2)n1 ZINC000825949916 607811076 /nfs/dbraw/zinc/81/10/76/607811076.db2.gz FCFXSIOXXZLDRD-UHFFFAOYSA-N -1 1 287.352 1.397 20 0 CDADMM CN(CCc1nccs1)c1cccc(-c2nn[n-]n2)n1 ZINC000825949916 607811077 /nfs/dbraw/zinc/81/10/77/607811077.db2.gz FCFXSIOXXZLDRD-UHFFFAOYSA-N -1 1 287.352 1.397 20 0 CDADMM CCOC(=O)/C=C\COc1cccc(F)c1-c1nnn[n-]1 ZINC000825499846 607865815 /nfs/dbraw/zinc/86/58/15/607865815.db2.gz VQZGBWJUVUOMIO-DAXSKMNVSA-N -1 1 292.270 1.504 20 0 CDADMM CCOC(=O)/C=C\COc1cccc(F)c1-c1nn[n-]n1 ZINC000825499846 607865816 /nfs/dbraw/zinc/86/58/16/607865816.db2.gz VQZGBWJUVUOMIO-DAXSKMNVSA-N -1 1 292.270 1.504 20 0 CDADMM C[C@H](c1cccnc1)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000824771128 607897016 /nfs/dbraw/zinc/89/70/16/607897016.db2.gz PEPGHIQTIUCBJX-SNVBAGLBSA-N -1 1 281.323 1.854 20 0 CDADMM C[C@H](c1cccnc1)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000824771128 607897017 /nfs/dbraw/zinc/89/70/17/607897017.db2.gz PEPGHIQTIUCBJX-SNVBAGLBSA-N -1 1 281.323 1.854 20 0 CDADMM Cc1nn(C)cc1[C@@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000826334098 607898275 /nfs/dbraw/zinc/89/82/75/607898275.db2.gz HQQHDNDEKAMPAB-MRVPVSSYSA-N -1 1 284.327 1.477 20 0 CDADMM Cc1nn(C)cc1[C@@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000826334098 607898276 /nfs/dbraw/zinc/89/82/76/607898276.db2.gz HQQHDNDEKAMPAB-MRVPVSSYSA-N -1 1 284.327 1.477 20 0 CDADMM Cc1ccc2nc(-c3ccc(-c4nnn[n-]4)o3)[nH]c2n1 ZINC000826295360 607975561 /nfs/dbraw/zinc/97/55/61/607975561.db2.gz DLTOONFGHAGEQQ-UHFFFAOYSA-N -1 1 267.252 1.706 20 0 CDADMM Cc1ccc2nc(-c3ccc(-c4nn[n-]n4)o3)[nH]c2n1 ZINC000826295360 607975562 /nfs/dbraw/zinc/97/55/62/607975562.db2.gz DLTOONFGHAGEQQ-UHFFFAOYSA-N -1 1 267.252 1.706 20 0 CDADMM C[C@H]1C[C@H](C)CN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824875602 607987333 /nfs/dbraw/zinc/98/73/33/607987333.db2.gz NOHRUMYOHLZGKG-IUCAKERBSA-N -1 1 259.317 1.139 20 0 CDADMM C[C@H]1C[C@H](C)CN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824875602 607987334 /nfs/dbraw/zinc/98/73/34/607987334.db2.gz NOHRUMYOHLZGKG-IUCAKERBSA-N -1 1 259.317 1.139 20 0 CDADMM COCc1cccc(Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826164477 607989190 /nfs/dbraw/zinc/98/91/90/607989190.db2.gz BUTKFKBRBWFMLX-UHFFFAOYSA-N -1 1 283.295 1.547 20 0 CDADMM COCc1cccc(Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826164477 607989191 /nfs/dbraw/zinc/98/91/91/607989191.db2.gz BUTKFKBRBWFMLX-UHFFFAOYSA-N -1 1 283.295 1.547 20 0 CDADMM Fc1ccccc1OCCn1ccnc1-c1nnn[n-]1 ZINC000826378291 608014537 /nfs/dbraw/zinc/01/45/37/608014537.db2.gz CUEPHIWNUUDCDO-UHFFFAOYSA-N -1 1 274.259 1.281 20 0 CDADMM Fc1ccccc1OCCn1ccnc1-c1nn[n-]n1 ZINC000826378291 608014538 /nfs/dbraw/zinc/01/45/38/608014538.db2.gz CUEPHIWNUUDCDO-UHFFFAOYSA-N -1 1 274.259 1.281 20 0 CDADMM FC1(F)CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC000826370166 608053276 /nfs/dbraw/zinc/05/32/76/608053276.db2.gz GWSYMGHSKFEJMX-UHFFFAOYSA-N -1 1 281.270 1.647 20 0 CDADMM FC1(F)CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC000826370166 608053277 /nfs/dbraw/zinc/05/32/77/608053277.db2.gz GWSYMGHSKFEJMX-UHFFFAOYSA-N -1 1 281.270 1.647 20 0 CDADMM [O-][n+]1ccccc1Oc1snc(Cl)c1-c1nn[n-]n1 ZINC000826512428 608171775 /nfs/dbraw/zinc/17/17/75/608171775.db2.gz ZWRCHPHEZNHUSM-UHFFFAOYSA-N -1 1 296.699 1.402 20 0 CDADMM c1ccc2c(c1)CC[C@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826523126 608394064 /nfs/dbraw/zinc/39/40/64/608394064.db2.gz BHZGKSKBFSHDIG-LLVKDONJSA-N -1 1 279.307 1.756 20 0 CDADMM c1ccc2c(c1)CC[C@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826523126 608394066 /nfs/dbraw/zinc/39/40/66/608394066.db2.gz BHZGKSKBFSHDIG-LLVKDONJSA-N -1 1 279.307 1.756 20 0 CDADMM COc1ccccc1Sc1ccc(-c2nnn[n-]2)nn1 ZINC000826221264 608405447 /nfs/dbraw/zinc/40/54/47/608405447.db2.gz XCQUSIBZDKGNFW-UHFFFAOYSA-N -1 1 286.320 1.817 20 0 CDADMM COc1ccccc1Sc1ccc(-c2nn[n-]n2)nn1 ZINC000826221264 608405449 /nfs/dbraw/zinc/40/54/49/608405449.db2.gz XCQUSIBZDKGNFW-UHFFFAOYSA-N -1 1 286.320 1.817 20 0 CDADMM c1ccc([C@@H]2C[C@H]2Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826520686 608405888 /nfs/dbraw/zinc/40/58/88/608405888.db2.gz PKPLXENJTMTBAA-CMPLNLGQSA-N -1 1 279.307 1.625 20 0 CDADMM c1ccc([C@@H]2C[C@H]2Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826520686 608405890 /nfs/dbraw/zinc/40/58/90/608405890.db2.gz PKPLXENJTMTBAA-CMPLNLGQSA-N -1 1 279.307 1.625 20 0 CDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)Oc1ccccc1 ZINC000824426755 608417423 /nfs/dbraw/zinc/41/74/23/608417423.db2.gz HKHAKVYLPPZABE-JTQLQIEISA-N -1 1 297.322 1.536 20 0 CDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)Oc1ccccc1 ZINC000824426755 608417424 /nfs/dbraw/zinc/41/74/24/608417424.db2.gz HKHAKVYLPPZABE-JTQLQIEISA-N -1 1 297.322 1.536 20 0 CDADMM CC(C)C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824245157 608425579 /nfs/dbraw/zinc/42/55/79/608425579.db2.gz WERWWFZNURNBTN-JTQLQIEISA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824245157 608425581 /nfs/dbraw/zinc/42/55/81/608425581.db2.gz WERWWFZNURNBTN-JTQLQIEISA-N -1 1 273.344 1.529 20 0 CDADMM Cc1cccc(C)c1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826297115 608434615 /nfs/dbraw/zinc/43/46/15/608434615.db2.gz VUNMZUIMKJHUIQ-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1cccc(C)c1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826297115 608434617 /nfs/dbraw/zinc/43/46/17/608434617.db2.gz VUNMZUIMKJHUIQ-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM c1ccc(CCCNc2ccc(-c3nnn[n-]3)nn2)nc1 ZINC000826521271 608434842 /nfs/dbraw/zinc/43/48/42/608434842.db2.gz GQNXEXOSPGEQOP-UHFFFAOYSA-N -1 1 282.311 1.096 20 0 CDADMM c1ccc(CCCNc2ccc(-c3nn[n-]n3)nn2)nc1 ZINC000826521271 608434843 /nfs/dbraw/zinc/43/48/43/608434843.db2.gz GQNXEXOSPGEQOP-UHFFFAOYSA-N -1 1 282.311 1.096 20 0 CDADMM COC(=O)[C@H]1CCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC000826132852 608511109 /nfs/dbraw/zinc/51/11/09/608511109.db2.gz HDDJVXJPRCKIFI-SECBINFHSA-N -1 1 293.352 1.066 20 0 CDADMM Cc1ccc(-c2nnn[n-]2)nc1N1C[C@H](C)O[C@@H](C)C1 ZINC000826279752 608541176 /nfs/dbraw/zinc/54/11/76/608541176.db2.gz AQCQSITWWVRHEN-UWVGGRQHSA-N -1 1 274.328 1.184 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1C[C@H](C)O[C@@H](C)C1 ZINC000826279752 608541177 /nfs/dbraw/zinc/54/11/77/608541177.db2.gz AQCQSITWWVRHEN-UWVGGRQHSA-N -1 1 274.328 1.184 20 0 CDADMM c1cn2c(n1)CN(Cc1ccc(-c3nn[n-]n3)s1)CC2 ZINC000826525110 608668709 /nfs/dbraw/zinc/66/87/09/608668709.db2.gz XBDBEUSAPIIGHX-UHFFFAOYSA-N -1 1 287.352 1.141 20 0 CDADMM C[C@@H]1COC[C@H](C)N1Cc1ccc(-c2nnn[n-]2)o1 ZINC000825006602 608718380 /nfs/dbraw/zinc/71/83/80/608718380.db2.gz MCAUUHORAHOYBT-DTORHVGOSA-N -1 1 263.301 1.069 20 0 CDADMM C[C@@H]1COC[C@H](C)N1Cc1ccc(-c2nn[n-]n2)o1 ZINC000825006602 608718381 /nfs/dbraw/zinc/71/83/81/608718381.db2.gz MCAUUHORAHOYBT-DTORHVGOSA-N -1 1 263.301 1.069 20 0 CDADMM CN(C)c1ccccc1Cn1ccnc1-c1nn[n-]n1 ZINC000825883193 609180075 /nfs/dbraw/zinc/18/00/75/609180075.db2.gz DDMOKZMKEPDPEO-UHFFFAOYSA-N -1 1 269.312 1.178 20 0 CDADMM CN(C)c1ccccc1Cn1ccnc1-c1nnn[n-]1 ZINC000825883193 609180074 /nfs/dbraw/zinc/18/00/74/609180074.db2.gz DDMOKZMKEPDPEO-UHFFFAOYSA-N -1 1 269.312 1.178 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc(O)c1 ZINC000826450840 609256520 /nfs/dbraw/zinc/25/65/20/609256520.db2.gz FYSZWDLAJAWDDS-UHFFFAOYSA-N -1 1 297.274 1.530 20 0 CDADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1cncc(F)c1 ZINC000824662275 609386344 /nfs/dbraw/zinc/38/63/44/609386344.db2.gz HHZJQTPEVISJQA-MRVPVSSYSA-N -1 1 285.286 1.969 20 0 CDADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1cncc(F)c1 ZINC000824662275 609386347 /nfs/dbraw/zinc/38/63/47/609386347.db2.gz HHZJQTPEVISJQA-MRVPVSSYSA-N -1 1 285.286 1.969 20 0 CDADMM CC(C)(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824080166 609601985 /nfs/dbraw/zinc/60/19/85/609601985.db2.gz VMVWZZHLSGWKII-VIFPVBQESA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824080166 609601987 /nfs/dbraw/zinc/60/19/87/609601987.db2.gz VMVWZZHLSGWKII-VIFPVBQESA-N -1 1 273.344 1.529 20 0 CDADMM Cc1cnc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)c([O-])c1 ZINC000891086150 617361164 /nfs/dbraw/zinc/36/11/64/617361164.db2.gz YPTFDKLJPBCXMV-IUODEOHRSA-N -1 1 284.315 1.484 20 0 CDADMM COCc1nc(NCCCCOC(C)C)cc(=O)[n-]1 ZINC000893125190 617397020 /nfs/dbraw/zinc/39/70/20/617397020.db2.gz GQOBMBLSWUVOSX-UHFFFAOYSA-N -1 1 269.345 1.946 20 0 CDADMM CC(=O)N1CCC[C@H](N(C)C(=O)c2ncccc2[O-])CC1 ZINC000967546664 613868417 /nfs/dbraw/zinc/86/84/17/613868417.db2.gz WWJUXJVAXGASID-LBPRGKRZSA-N -1 1 291.351 1.260 20 0 CDADMM Cn1ccc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1 ZINC000891621049 617508990 /nfs/dbraw/zinc/50/89/90/617508990.db2.gz DPQNFFUGBJWQAQ-UHFFFAOYSA-N -1 1 272.308 1.652 20 0 CDADMM CCc1c(C(=O)N(C)c2nn[n-]n2)cnn1CCC(C)C ZINC000892955297 617973609 /nfs/dbraw/zinc/97/36/09/617973609.db2.gz YZDJLXHACOEKPD-UHFFFAOYSA-N -1 1 291.359 1.281 20 0 CDADMM CC(C)[C@@H]1C[C@H](CC(=O)N(C)c2nn[n-]n2)CCO1 ZINC000892954662 617977581 /nfs/dbraw/zinc/97/75/81/617977581.db2.gz PFPMEGYPYXYDTD-ZJUUUORDSA-N -1 1 267.333 1.004 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Cc1ccc(NCCC[C@H](C)CO)c(-c2nnn[n-]2)n1 ZINC001605874254 1163702602 /nfs/dbraw/zinc/70/26/02/1163702602.db2.gz LCACDTHGBCWZEE-VIFPVBQESA-N -1 1 276.344 1.391 20 0 CDADMM Cc1ccc(NCCC[C@H](C)CO)c(-c2nn[n-]n2)n1 ZINC001605874254 1163702608 /nfs/dbraw/zinc/70/26/08/1163702608.db2.gz LCACDTHGBCWZEE-VIFPVBQESA-N -1 1 276.344 1.391 20 0 CDADMM Cc1cccc(CCCn2cc(-c3nn[n-]n3)ccc2=O)c1 ZINC001605911971 1163712428 /nfs/dbraw/zinc/71/24/28/1163712428.db2.gz LJECDNIKISAQIO-UHFFFAOYSA-N -1 1 295.346 1.970 20 0 CDADMM Cc1cccc(CN(C)c2nccnc2-c2nnn[n-]2)c1C ZINC001605913459 1163712913 /nfs/dbraw/zinc/71/29/13/1163712913.db2.gz NIRSOBQPYPCMSY-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1cccc(CN(C)c2nccnc2-c2nn[n-]n2)c1C ZINC001605913459 1163712920 /nfs/dbraw/zinc/71/29/20/1163712920.db2.gz NIRSOBQPYPCMSY-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM CCn1cc([C@H](C)NCc2cncc(C(=O)[O-])c2)cn1 ZINC001605917879 1163713794 /nfs/dbraw/zinc/71/37/94/1163713794.db2.gz DKPZCULUTWVRLP-JTQLQIEISA-N -1 1 274.324 1.847 20 0 CDADMM CCn1nc(C)c(CN[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]23)n1 ZINC001605940181 1163720820 /nfs/dbraw/zinc/72/08/20/1163720820.db2.gz WRURKRYBNGEMBB-NNYUYHANSA-N -1 1 278.356 1.195 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(CC(=O)CC(C)(C)C)c1C ZINC001606020857 1163747191 /nfs/dbraw/zinc/74/71/91/1163747191.db2.gz DLRPUUDEKBUTLM-UHFFFAOYSA-N -1 1 276.344 1.685 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(CC(=O)CC(C)(C)C)c1C ZINC001606020857 1163747196 /nfs/dbraw/zinc/74/71/96/1163747196.db2.gz DLRPUUDEKBUTLM-UHFFFAOYSA-N -1 1 276.344 1.685 20 0 CDADMM CN(C)c1ccc(F)cc1CN[C@H](CF)C(=O)[O-] ZINC001606056036 1163759628 /nfs/dbraw/zinc/75/96/28/1163759628.db2.gz UQMVYOIWJGWDDB-SNVBAGLBSA-N -1 1 258.268 1.404 20 0 CDADMM Cc1nsc(N2Cc3cccnc3C2)c1-c1nn[n-]n1 ZINC001606148239 1163787600 /nfs/dbraw/zinc/78/76/00/1163787600.db2.gz CEORXDUKUHXLBV-UHFFFAOYSA-N -1 1 285.336 1.547 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC[C@H]1CCOC1 ZINC001606170567 1163797402 /nfs/dbraw/zinc/79/74/02/1163797402.db2.gz HYCXTIHWJMPTTA-SECBINFHSA-N -1 1 292.295 1.352 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC[C@H]1CCOC1 ZINC001606170567 1163797406 /nfs/dbraw/zinc/79/74/06/1163797406.db2.gz HYCXTIHWJMPTTA-SECBINFHSA-N -1 1 292.295 1.352 20 0 CDADMM CN(Cc1oncc1C(=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC001606179230 1163799080 /nfs/dbraw/zinc/79/90/80/1163799080.db2.gz HMVBMAFYQQMSJJ-SNVBAGLBSA-N -1 1 265.313 1.041 20 0 CDADMM CNC(=O)NC[C@@H]1CCCCN1Cc1occc1C(=O)[O-] ZINC001606280514 1163836106 /nfs/dbraw/zinc/83/61/06/1163836106.db2.gz HFEDRROLZYBACH-JTQLQIEISA-N -1 1 295.339 1.261 20 0 CDADMM COC(=O)[C@H](CCC(=O)[O-])N1CCC(C)=C(C)C1 ZINC001606330466 1163863019 /nfs/dbraw/zinc/86/30/19/1163863019.db2.gz JLNAZVNCPUECQY-NSHDSACASA-N -1 1 255.314 1.435 20 0 CDADMM Fc1ccc2c(c1)CC[C@@H]2Nc1cncc(-c2nnn[n-]2)n1 ZINC001606326937 1163863038 /nfs/dbraw/zinc/86/30/38/1163863038.db2.gz NQAJFGPSFHFAAE-NSHDSACASA-N -1 1 297.297 1.895 20 0 CDADMM Fc1ccc2c(c1)CC[C@@H]2Nc1cncc(-c2nn[n-]n2)n1 ZINC001606326937 1163863041 /nfs/dbraw/zinc/86/30/41/1163863041.db2.gz NQAJFGPSFHFAAE-NSHDSACASA-N -1 1 297.297 1.895 20 0 CDADMM Fc1ccccc1Sc1cncc(-c2nnn[n-]2)n1 ZINC001606335845 1163866952 /nfs/dbraw/zinc/86/69/52/1163866952.db2.gz MFUMDABWBCAKEF-UHFFFAOYSA-N -1 1 274.284 1.947 20 0 CDADMM Fc1ccccc1Sc1cncc(-c2nn[n-]n2)n1 ZINC001606335845 1163866957 /nfs/dbraw/zinc/86/69/57/1163866957.db2.gz MFUMDABWBCAKEF-UHFFFAOYSA-N -1 1 274.284 1.947 20 0 CDADMM COC(=O)[C@H]1CCN(Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC001606412346 1163893414 /nfs/dbraw/zinc/89/34/14/1163893414.db2.gz YXZKHQLCBWXTHY-LWTINBJPSA-N -1 1 279.292 1.372 20 0 CDADMM O=C(/C=C/C1CC1)OCc1ccc(-c2nnn[n-]2)o1 ZINC001606479826 1163914304 /nfs/dbraw/zinc/91/43/04/1163914304.db2.gz CVEJAXRBFXWQHO-ZZXKWVIFSA-N -1 1 260.253 1.469 20 0 CDADMM O=C(/C=C/C1CC1)OCc1ccc(-c2nn[n-]n2)o1 ZINC001606479826 1163914312 /nfs/dbraw/zinc/91/43/12/1163914312.db2.gz CVEJAXRBFXWQHO-ZZXKWVIFSA-N -1 1 260.253 1.469 20 0 CDADMM O=C(N[C@H]1CCCC1(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC001606667167 1163954593 /nfs/dbraw/zinc/95/45/93/1163954593.db2.gz IYOZOORKTVTKKA-VIFPVBQESA-N -1 1 294.265 1.179 20 0 CDADMM O=C(N[C@H]1CCCC1(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC001606667167 1163954596 /nfs/dbraw/zinc/95/45/96/1163954596.db2.gz IYOZOORKTVTKKA-VIFPVBQESA-N -1 1 294.265 1.179 20 0 CDADMM COCCOC[C@@H](C)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001606903857 1164029379 /nfs/dbraw/zinc/02/93/79/1164029379.db2.gz UDINMWKINJPFSZ-BDAKNGLRSA-N -1 1 288.369 1.543 20 0 CDADMM O=C(OC[C@H]1CCSC1)c1csc(-c2nnn[n-]2)c1 ZINC001606967555 1164041541 /nfs/dbraw/zinc/04/15/41/1164041541.db2.gz LMODIODSDFQGED-SSDOTTSWSA-N -1 1 296.377 1.838 20 0 CDADMM O=C(OC[C@H]1CCSC1)c1csc(-c2nn[n-]n2)c1 ZINC001606967555 1164041547 /nfs/dbraw/zinc/04/15/47/1164041547.db2.gz LMODIODSDFQGED-SSDOTTSWSA-N -1 1 296.377 1.838 20 0 CDADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)C1(F)CC1 ZINC001606979248 1164047889 /nfs/dbraw/zinc/04/78/89/1164047889.db2.gz QECYSOJRXWYABK-UHFFFAOYSA-N -1 1 252.205 1.005 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)C1(F)CC1 ZINC001606979248 1164047895 /nfs/dbraw/zinc/04/78/95/1164047895.db2.gz QECYSOJRXWYABK-UHFFFAOYSA-N -1 1 252.205 1.005 20 0 CDADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccnc2ccnn21 ZINC001134127957 1164055790 /nfs/dbraw/zinc/05/57/90/1164055790.db2.gz GUIHEIKREIXXNZ-UHFFFAOYSA-N -1 1 297.200 1.119 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@@H]1C1CCC1 ZINC001607017117 1164060706 /nfs/dbraw/zinc/06/07/06/1164060706.db2.gz KPDLVGCGHKIWSY-SNVBAGLBSA-N -1 1 287.323 1.864 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@@H]1C1CCC1 ZINC001607017117 1164060712 /nfs/dbraw/zinc/06/07/12/1164060712.db2.gz KPDLVGCGHKIWSY-SNVBAGLBSA-N -1 1 287.323 1.864 20 0 CDADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC[C@H](F)C1 ZINC001607027076 1164063564 /nfs/dbraw/zinc/06/35/64/1164063564.db2.gz KVLOUAXJSQAHMV-ZETCQYMHSA-N -1 1 281.316 1.502 20 0 CDADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCC[C@H](F)C1 ZINC001607027076 1164063571 /nfs/dbraw/zinc/06/35/71/1164063571.db2.gz KVLOUAXJSQAHMV-ZETCQYMHSA-N -1 1 281.316 1.502 20 0 CDADMM c1nc(-c2noc(-c3ccnc(-c4nnn[n-]4)c3)n2)cs1 ZINC001607113634 1164093502 /nfs/dbraw/zinc/09/35/02/1164093502.db2.gz BZGIVEOHQBIQGJ-UHFFFAOYSA-N -1 1 298.291 1.435 20 0 CDADMM c1nc(-c2noc(-c3ccnc(-c4nn[n-]n4)c3)n2)cs1 ZINC001607113634 1164093509 /nfs/dbraw/zinc/09/35/09/1164093509.db2.gz BZGIVEOHQBIQGJ-UHFFFAOYSA-N -1 1 298.291 1.435 20 0 CDADMM c1c(N[C@@H]2C[C@@H]3CC[C@H]2O3)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001607114493 1164094494 /nfs/dbraw/zinc/09/44/94/1164094494.db2.gz LKZFNGSQMJXFMZ-IQJOONFLSA-N -1 1 299.338 1.266 20 0 CDADMM c1c(N[C@@H]2C[C@@H]3CC[C@H]2O3)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001607114493 1164094499 /nfs/dbraw/zinc/09/44/99/1164094499.db2.gz LKZFNGSQMJXFMZ-IQJOONFLSA-N -1 1 299.338 1.266 20 0 CDADMM c1cc(NCC[C@H]2CCCS2)nc(-c2nnn[n-]2)c1 ZINC001607122143 1164106614 /nfs/dbraw/zinc/10/66/14/1164106614.db2.gz ZVMAJXQLBLFWOE-SECBINFHSA-N -1 1 276.369 1.959 20 0 CDADMM c1cc(NCC[C@H]2CCCS2)nc(-c2nn[n-]n2)c1 ZINC001607122143 1164106617 /nfs/dbraw/zinc/10/66/17/1164106617.db2.gz ZVMAJXQLBLFWOE-SECBINFHSA-N -1 1 276.369 1.959 20 0 CDADMM c1cc(SCC2CCCC2)nc(-c2nn[n-]n2)n1 ZINC001607125113 1164108882 /nfs/dbraw/zinc/10/88/82/1164108882.db2.gz JOMVGQQXYQZHOR-UHFFFAOYSA-N -1 1 262.342 1.939 20 0 CDADMM COc1nsc(CN(C)CC(C)(C)O)c1C(=O)[O-] ZINC001607362994 1164160849 /nfs/dbraw/zinc/16/08/49/1164160849.db2.gz KQBBARRMUDIMDX-UHFFFAOYSA-N -1 1 274.342 1.053 20 0 CDADMM C[C@H](C(=O)N(CC(=O)[O-])c1ccccc1)N(C)C ZINC001607449535 1164185126 /nfs/dbraw/zinc/18/51/26/1164185126.db2.gz OGWXFBYKECPKND-SNVBAGLBSA-N -1 1 250.298 1.054 20 0 CDADMM Cc1cn[nH]c1C[NH+]1[C@H](C)CC(C(=O)[O-])C[C@H]1C ZINC001607556620 1164224136 /nfs/dbraw/zinc/22/41/36/1164224136.db2.gz RSBDMECWBLQZRV-NXEZZACHSA-N -1 1 251.330 1.792 20 0 CDADMM Cc1cc(CN)oc1C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC001607639847 1164252436 /nfs/dbraw/zinc/25/24/36/1164252436.db2.gz HDBOJFCDBYKVHN-GFCCVEGCSA-N -1 1 294.351 1.810 20 0 CDADMM Cc1cccc([C@H]2CCN(Cn3cc(C(=O)[O-])nn3)C2)c1 ZINC001607846624 1164310800 /nfs/dbraw/zinc/31/08/00/1164310800.db2.gz COXHWGHSDKDUNL-ZDUSSCGKSA-N -1 1 286.335 1.732 20 0 CDADMM Cc1cnc(=S)n(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC001607903189 1164330305 /nfs/dbraw/zinc/33/03/05/1164330305.db2.gz MPMFZPOGBSGXKH-NXEZZACHSA-N -1 1 267.354 1.531 20 0 CDADMM Cc1nc(CN2CCSC[C@@H](C(=O)[O-])C2)c(C)o1 ZINC001607955344 1164351790 /nfs/dbraw/zinc/35/17/90/1164351790.db2.gz DYJTWXKRWZWHGQ-JTQLQIEISA-N -1 1 270.354 1.541 20 0 CDADMM Cc1nc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])cs2)n[nH]1 ZINC001608012519 1164374045 /nfs/dbraw/zinc/37/40/45/1164374045.db2.gz BNPJLPPDNQHRLW-YFKPBYRVSA-N -1 1 295.324 1.756 20 0 CDADMM Cn1cc(Cl)c(CN[C@@](C)(CCF)C(=O)[O-])n1 ZINC001608114094 1164412825 /nfs/dbraw/zinc/41/28/25/1164412825.db2.gz MUOYOGMSKXGGKB-JTQLQIEISA-N -1 1 263.700 1.366 20 0 CDADMM O=C([O-])C1(CCCCNC(=O)CCc2nc[nH]n2)CCC1 ZINC001608321528 1164490240 /nfs/dbraw/zinc/49/02/40/1164490240.db2.gz BXJGJNFTIBVYPF-UHFFFAOYSA-N -1 1 294.355 1.279 20 0 CDADMM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1cn[nH]c1-c1ccccn1 ZINC001608490598 1164526100 /nfs/dbraw/zinc/52/61/00/1164526100.db2.gz ODIYSZCGKMBPIY-SCZZXKLOSA-N -1 1 286.291 1.065 20 0 CDADMM O=C([N-]Cc1cc2c([nH]c1=O)CCCC2)C(F)(F)F ZINC000864494422 1164552079 /nfs/dbraw/zinc/55/20/79/1164552079.db2.gz GMWFMEVNXVYJAO-UHFFFAOYSA-N -1 1 274.242 1.845 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](O)CN1Cc1ccc2c(c1)CCCC2 ZINC001608605242 1164571422 /nfs/dbraw/zinc/57/14/22/1164571422.db2.gz AMQQLLAFYDAYAC-HUUCEWRRSA-N -1 1 275.348 1.585 20 0 CDADMM O=C([O-])CNC(=O)[C@@H]1CCCN1c1ccnc2ccccc21 ZINC001608751501 1164629084 /nfs/dbraw/zinc/62/90/84/1164629084.db2.gz RIKWYNKACFZXNL-AWEZNQCLSA-N -1 1 299.330 1.404 20 0 CDADMM O=C([O-])c1ccc(CN[C@@H]2C=C[C@H](CO)C2)c(F)c1 ZINC001608888056 1164677309 /nfs/dbraw/zinc/67/73/09/1164677309.db2.gz ZSYDHQRWYKDAEJ-JOYOIKCWSA-N -1 1 265.284 1.551 20 0 CDADMM O=C([O-])c1cnc(CNC[C@@H](CO)c2ccccc2)s1 ZINC001608972997 1164698707 /nfs/dbraw/zinc/69/87/07/1164698707.db2.gz XLAGVGTWZAEQSO-NSHDSACASA-N -1 1 292.360 1.707 20 0 CDADMM O=C([O-])c1cnc(CN2CCCC[C@@]23CCOC3)cn1 ZINC001608971770 1164698861 /nfs/dbraw/zinc/69/88/61/1164698861.db2.gz WIZALYNYMYCLCI-AWEZNQCLSA-N -1 1 277.324 1.320 20 0 CDADMM CC(C)[C@H]1C[C@@H](Nc2ncncc2-c2nn[n-]n2)CCO1 ZINC001609091500 1164766913 /nfs/dbraw/zinc/76/69/13/1164766913.db2.gz QPMJXGRYUMEISX-GXSJLCMTSA-N -1 1 289.343 1.272 20 0 CDADMM CC1(C2CC2)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001609148662 1164798058 /nfs/dbraw/zinc/79/80/58/1164798058.db2.gz GUHOBRYCWVQCKZ-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM CC1(C2CC2)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001609148662 1164798064 /nfs/dbraw/zinc/79/80/64/1164798064.db2.gz GUHOBRYCWVQCKZ-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@@H]1CCC[C@@H]1CC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001609164672 1164811864 /nfs/dbraw/zinc/81/18/64/1164811864.db2.gz VJTBGVPKPITNHP-RKDXNWHRSA-N -1 1 289.343 1.365 20 0 CDADMM C[C@@H]1CCC[C@@H]1CC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001609164672 1164811874 /nfs/dbraw/zinc/81/18/74/1164811874.db2.gz VJTBGVPKPITNHP-RKDXNWHRSA-N -1 1 289.343 1.365 20 0 CDADMM CC[C@H](Nc1cccc(-c2nnn[n-]2)n1)[C@@H](O)C(C)C ZINC001609195043 1164836889 /nfs/dbraw/zinc/83/68/89/1164836889.db2.gz WBZPXIPITMOZBF-CABZTGNLSA-N -1 1 276.344 1.469 20 0 CDADMM CC[C@H](Nc1cccc(-c2nn[n-]n2)n1)[C@@H](O)C(C)C ZINC001609195043 1164836891 /nfs/dbraw/zinc/83/68/91/1164836891.db2.gz WBZPXIPITMOZBF-CABZTGNLSA-N -1 1 276.344 1.469 20 0 CDADMM CCCCN(C(=O)c1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001609209645 1164847717 /nfs/dbraw/zinc/84/77/17/1164847717.db2.gz UAPLEPYWUHEMKN-UHFFFAOYSA-N -1 1 286.339 1.666 20 0 CDADMM CCCCN(C(=O)c1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001609209645 1164847721 /nfs/dbraw/zinc/84/77/21/1164847721.db2.gz UAPLEPYWUHEMKN-UHFFFAOYSA-N -1 1 286.339 1.666 20 0 CDADMM CCOCCOC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001609241071 1164861830 /nfs/dbraw/zinc/86/18/30/1164861830.db2.gz XFSJVYGGXFYCNH-UHFFFAOYSA-N -1 1 268.298 1.122 20 0 CDADMM CCOCCOC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609241071 1164861836 /nfs/dbraw/zinc/86/18/36/1164861836.db2.gz XFSJVYGGXFYCNH-UHFFFAOYSA-N -1 1 268.298 1.122 20 0 CDADMM CO[C@H](C)CN(C)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001609309038 1164890597 /nfs/dbraw/zinc/89/05/97/1164890597.db2.gz VHDSLCZMNQNTSF-SNVBAGLBSA-N -1 1 298.350 1.886 20 0 CDADMM CO[C@H](C)CN(C)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001609309038 1164890605 /nfs/dbraw/zinc/89/06/05/1164890605.db2.gz VHDSLCZMNQNTSF-SNVBAGLBSA-N -1 1 298.350 1.886 20 0 CDADMM CO[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001609314540 1164894845 /nfs/dbraw/zinc/89/48/45/1164894845.db2.gz NHPKYGUQUPPJQO-MRVPVSSYSA-N -1 1 280.357 1.247 20 0 CDADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CCCCCF)c1 ZINC001609386781 1164920146 /nfs/dbraw/zinc/92/01/46/1164920146.db2.gz VTBKFUHGRURBAZ-UHFFFAOYSA-N -1 1 265.292 1.477 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCCOC(C)C)n1 ZINC001609391301 1164921912 /nfs/dbraw/zinc/92/19/12/1164921912.db2.gz CVOAMHBTPWXOFU-UHFFFAOYSA-N -1 1 291.359 1.216 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCCOC(C)C)n1 ZINC001609391301 1164921918 /nfs/dbraw/zinc/92/19/18/1164921918.db2.gz CVOAMHBTPWXOFU-UHFFFAOYSA-N -1 1 291.359 1.216 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H](C)c2cccnc2)n1 ZINC001609391330 1164922827 /nfs/dbraw/zinc/92/28/27/1164922827.db2.gz DQQXOZJXPKMFSM-SNVBAGLBSA-N -1 1 296.338 1.558 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H](C)c2cccnc2)n1 ZINC001609391330 1164922835 /nfs/dbraw/zinc/92/28/35/1164922835.db2.gz DQQXOZJXPKMFSM-SNVBAGLBSA-N -1 1 296.338 1.558 20 0 CDADMM Cc1cc(CNc2snc(Cl)c2-c2nnn[n-]2)no1 ZINC001609401764 1164931269 /nfs/dbraw/zinc/93/12/69/1164931269.db2.gz KAKCRYCZFIQIFC-UHFFFAOYSA-N -1 1 297.731 1.885 20 0 CDADMM Cc1cc(CNc2snc(Cl)c2-c2nn[n-]n2)no1 ZINC001609401764 1164931274 /nfs/dbraw/zinc/93/12/74/1164931274.db2.gz KAKCRYCZFIQIFC-UHFFFAOYSA-N -1 1 297.731 1.885 20 0 CDADMM Cc1ccc(C)c(CN(C)c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001609421018 1164941155 /nfs/dbraw/zinc/94/11/55/1164941155.db2.gz LTEYDQASMHILOO-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccc(C)c(CN(C)c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001609421018 1164941159 /nfs/dbraw/zinc/94/11/59/1164941159.db2.gz LTEYDQASMHILOO-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1csc2nc(C)nc(-n3cnc(-c4nn[n-]n4)n3)c12 ZINC001609445966 1164951705 /nfs/dbraw/zinc/95/17/05/1164951705.db2.gz DXSDBLHLQNWEJI-UHFFFAOYSA-N -1 1 299.323 1.069 20 0 CDADMM Cc1noc([C@@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)n1 ZINC001609463280 1164961844 /nfs/dbraw/zinc/96/18/44/1164961844.db2.gz RJGXEQIMYNHTBC-JTQLQIEISA-N -1 1 298.310 1.295 20 0 CDADMM Cc1noc([C@@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)n1 ZINC001609463280 1164961849 /nfs/dbraw/zinc/96/18/49/1164961849.db2.gz RJGXEQIMYNHTBC-JTQLQIEISA-N -1 1 298.310 1.295 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@H]1C[C@H]1C ZINC001609467736 1164964909 /nfs/dbraw/zinc/96/49/09/1164964909.db2.gz RPDWLQWGOUQHFB-HTRCEHHLSA-N -1 1 261.285 1.154 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@H]1C[C@H]1C ZINC001609467736 1164964917 /nfs/dbraw/zinc/96/49/17/1164964917.db2.gz RPDWLQWGOUQHFB-HTRCEHHLSA-N -1 1 261.285 1.154 20 0 CDADMM Clc1nc(NCCn2cccc2)sc1-c1nnn[n-]1 ZINC001609474649 1164967384 /nfs/dbraw/zinc/96/73/84/1164967384.db2.gz LEVBBVKCYFQSPJ-UHFFFAOYSA-N -1 1 295.759 1.890 20 0 CDADMM Clc1nc(NCCn2cccc2)sc1-c1nn[n-]n1 ZINC001609474649 1164967388 /nfs/dbraw/zinc/96/73/88/1164967388.db2.gz LEVBBVKCYFQSPJ-UHFFFAOYSA-N -1 1 295.759 1.890 20 0 CDADMM Clc1sc(N2CCCC2)nc1-c1nn[n-]n1 ZINC001609475288 1164968516 /nfs/dbraw/zinc/96/85/16/1164968516.db2.gz XKNYWCRYCMTEEQ-UHFFFAOYSA-N -1 1 256.722 1.577 20 0 CDADMM O=C(NC1CCCC1)c1csc(-c2nn[n-]n2)c1 ZINC001609541149 1164984367 /nfs/dbraw/zinc/98/43/67/1164984367.db2.gz ZQVHFAFABZUWHB-UHFFFAOYSA-N -1 1 263.326 1.601 20 0 CDADMM OCCc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cn1 ZINC001609610990 1165005415 /nfs/dbraw/zinc/00/54/15/1165005415.db2.gz BJCONNHVDVDFDF-UHFFFAOYSA-N -1 1 286.295 1.002 20 0 CDADMM OCCc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cn1 ZINC001609610990 1165005419 /nfs/dbraw/zinc/00/54/19/1165005419.db2.gz BJCONNHVDVDFDF-UHFFFAOYSA-N -1 1 286.295 1.002 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CCC[C@@]3(CCOC3)C2)c1 ZINC001609613270 1165006172 /nfs/dbraw/zinc/00/61/72/1165006172.db2.gz VYWVHIFCZOZWHL-CQSZACIVSA-N -1 1 286.339 1.269 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CCC[C@@]3(CCOC3)C2)c1 ZINC001609613270 1165006176 /nfs/dbraw/zinc/00/61/76/1165006176.db2.gz VYWVHIFCZOZWHL-CQSZACIVSA-N -1 1 286.339 1.269 20 0 CDADMM c1ncc(N2C[C@H](C3CC3)[C@@H]2C2CC2)nc1-c1nnn[n-]1 ZINC001609621205 1165016815 /nfs/dbraw/zinc/01/68/15/1165016815.db2.gz UXHINZAOHCRRLK-MFKMUULPSA-N -1 1 283.339 1.282 20 0 CDADMM c1ncc(N2C[C@H](C3CC3)[C@@H]2C2CC2)nc1-c1nn[n-]n1 ZINC001609621205 1165016819 /nfs/dbraw/zinc/01/68/19/1165016819.db2.gz UXHINZAOHCRRLK-MFKMUULPSA-N -1 1 283.339 1.282 20 0 CDADMM CC1=CCN(CCNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC001609829013 1165100338 /nfs/dbraw/zinc/10/03/38/1165100338.db2.gz UHEUXDGNTHKFAH-ZIAGYGMSSA-N -1 1 294.395 1.646 20 0 CDADMM C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC(=O)[N-]OCc1ccccc1 ZINC001609832285 1165101869 /nfs/dbraw/zinc/10/18/69/1165101869.db2.gz IFBOBCMMWFWFIH-YPMHNXCESA-N -1 1 292.335 1.029 20 0 CDADMM C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC(=O)[N-]OCc1ccccc1 ZINC001609832274 1165102296 /nfs/dbraw/zinc/10/22/96/1165102296.db2.gz IFBOBCMMWFWFIH-AAEUAGOBSA-N -1 1 292.335 1.029 20 0 CDADMM CCO[C@H]1C[C@@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001610029650 1165190456 /nfs/dbraw/zinc/19/04/56/1165190456.db2.gz UXHDEPMWQODNPD-WPRPVWTQSA-N -1 1 289.291 1.625 20 0 CDADMM COCc1cnc(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)s1 ZINC001610273631 1165281547 /nfs/dbraw/zinc/28/15/47/1165281547.db2.gz JNQSTDQDCOBCRR-PSASIEDQSA-N -1 1 270.354 1.442 20 0 CDADMM Cc1oc(CN(C)[C@@H]2CCC(=O)N(C)C2)cc1C(=O)[O-] ZINC001610582410 1165364942 /nfs/dbraw/zinc/36/49/42/1165364942.db2.gz BYTIAQFRQXZLAI-SNVBAGLBSA-N -1 1 280.324 1.339 20 0 CDADMM O=C(CCCc1nn[n-]n1)Nc1cccc(-c2nnco2)c1 ZINC001624195675 1165824176 /nfs/dbraw/zinc/82/41/76/1165824176.db2.gz DCPSDXCSJQLEEL-UHFFFAOYSA-N -1 1 299.294 1.211 20 0 CDADMM COc1ccc2c(c1)c(C(=O)Nc1nnn[n-]1)c(C)n2C ZINC001628641808 1166085070 /nfs/dbraw/zinc/08/50/70/1166085070.db2.gz GDOUAFSBRHFQBZ-UHFFFAOYSA-N -1 1 286.295 1.261 20 0 CDADMM COc1ccc2c(c1)c(C(=O)Nc1nn[n-]n1)c(C)n2C ZINC001628641808 1166085076 /nfs/dbraw/zinc/08/50/76/1166085076.db2.gz GDOUAFSBRHFQBZ-UHFFFAOYSA-N -1 1 286.295 1.261 20 0 CDADMM O=C(CCCc1nn[n-]n1)Nc1ccc(-c2cc[nH]n2)cc1 ZINC001630939730 1166243181 /nfs/dbraw/zinc/24/31/81/1166243181.db2.gz GEERGYABPIXHPL-UHFFFAOYSA-N -1 1 297.322 1.551 20 0 CDADMM Cc1nnc(CNC(=O)c2cccc([O-])c2F)s1 ZINC001632715425 1166371508 /nfs/dbraw/zinc/37/15/08/1166371508.db2.gz NOSJWMFDPMLBRZ-UHFFFAOYSA-N -1 1 267.285 1.621 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CCO[C@@H]2COCC[C@@H]21 ZINC000888780579 1166391878 /nfs/dbraw/zinc/39/18/78/1166391878.db2.gz FLUBKQNNKABRFD-WCQYABFASA-N -1 1 281.283 1.161 20 0 CDADMM O=C(Nc1nn[n-]n1)c1c(C(F)F)nc2ccccn21 ZINC001634297613 1166487435 /nfs/dbraw/zinc/48/74/35/1166487435.db2.gz VTYMXNGUSPMHET-UHFFFAOYSA-N -1 1 279.210 1.037 20 0 CDADMM NC(=O)Cc1ccc(NC(=O)c2ccc(F)c([O-])c2)cc1 ZINC001411657796 1166697870 /nfs/dbraw/zinc/69/78/70/1166697870.db2.gz ACMPBMBVJVNJKD-UHFFFAOYSA-N -1 1 288.278 1.811 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](F)Cc1ccccc1 ZINC001637952133 1166806810 /nfs/dbraw/zinc/80/68/10/1166806810.db2.gz IBKDCXIYMVCYNX-JTQLQIEISA-N -1 1 263.272 1.943 20 0 CDADMM CC(C)[C@@H](C(=O)Nc1c[n-][nH]c1=O)c1cccnc1 ZINC001638735600 1166867457 /nfs/dbraw/zinc/86/74/57/1166867457.db2.gz OXNDBHCFJFEZJN-LLVKDONJSA-N -1 1 260.297 1.889 20 0 CDADMM CCn1cccc(NC(=O)c2ccc3oc([O-])nc3c2)c1=O ZINC001639306463 1166923512 /nfs/dbraw/zinc/92/35/12/1166923512.db2.gz ZNKOPLHBSJQGFZ-UHFFFAOYSA-N -1 1 299.286 1.967 20 0 CDADMM C[C@@H]1COCC[C@H]1NC(=O)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155273515 1167112432 /nfs/dbraw/zinc/11/24/32/1167112432.db2.gz QCFZFKAZALUKSB-LDYMZIIASA-N -1 1 275.308 1.423 20 0 CDADMM O=C([N-]c1noc2nccnc12)c1n[nH]c2cccc(F)c21 ZINC001155275741 1167113623 /nfs/dbraw/zinc/11/36/23/1167113623.db2.gz FXOTWGIKAVQERU-UHFFFAOYSA-N -1 1 298.237 1.886 20 0 CDADMM COC[C@@]1(C(=O)[O-])CCCN(Cc2nccs2)C1 ZINC001645903355 1167560311 /nfs/dbraw/zinc/56/03/11/1167560311.db2.gz CHZNDYFPDJHURP-GFCCVEGCSA-N -1 1 270.354 1.456 20 0 CDADMM O=C(COC(=O)C1(F)CCOCC1)c1ccc([O-])cc1O ZINC001646073679 1167634694 /nfs/dbraw/zinc/63/46/94/1167634694.db2.gz XNLGAPFVIVWPRZ-UHFFFAOYSA-N -1 1 298.266 1.342 20 0 CDADMM O=C([O-])[C@@H]1CCCN(CC(=O)Nc2cccc(O)c2)C1 ZINC001646259337 1167728334 /nfs/dbraw/zinc/72/83/34/1167728334.db2.gz JORVFZRLZTZWSX-SNVBAGLBSA-N -1 1 278.308 1.127 20 0 CDADMM COCc1nocc1C(=O)[N-]c1noc2c1CCCC2 ZINC001646646800 1168016524 /nfs/dbraw/zinc/01/65/24/1168016524.db2.gz JDNSKLNVERPHST-UHFFFAOYSA-N -1 1 277.280 1.940 20 0 CDADMM CN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC001646988881 1168327215 /nfs/dbraw/zinc/32/72/15/1168327215.db2.gz OZRHXUFAKNMBJI-LLVKDONJSA-N -1 1 294.326 1.472 20 0 CDADMM CC(C)Oc1ncc(C(=O)N(C)c2nn[n-]n2)cc1Cl ZINC001647424971 1168678655 /nfs/dbraw/zinc/67/86/55/1168678655.db2.gz HDHKHVBKMFYTEG-UHFFFAOYSA-N -1 1 296.718 1.312 20 0 CDADMM CC(C)(C)OC(=O)Nc1ccoc1C(=O)Nc1nn[n-]n1 ZINC001649830941 1169411665 /nfs/dbraw/zinc/41/16/65/1169411665.db2.gz WWYAKOQQMCXALI-UHFFFAOYSA-N -1 1 294.271 1.392 20 0 CDADMM Cc1sc(NC(=O)COCc2nn[n-]n2)c(C)c1C ZINC001650011678 1169603734 /nfs/dbraw/zinc/60/37/34/1169603734.db2.gz BVRPYHGBQFZNKN-UHFFFAOYSA-N -1 1 281.341 1.342 20 0 CDADMM CC[C@H]1CN(C(=O)CCc2cc(C)[nH]n2)C[C@]1(F)C(=O)[O-] ZINC001573817045 1170786341 /nfs/dbraw/zinc/78/63/41/1170786341.db2.gz IYQFJKOZFYPWMV-IINYFYTJSA-N -1 1 297.330 1.312 20 0 CDADMM O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1Cc1c(F)cncc1F ZINC001574402768 1170973488 /nfs/dbraw/zinc/97/34/88/1170973488.db2.gz FFDSVRNGIUGMKH-SXMVTHIZSA-N -1 1 268.263 1.797 20 0 CDADMM COc1ccccc1[C@H](C)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001580085565 1172347129 /nfs/dbraw/zinc/34/71/29/1172347129.db2.gz KNQZBYBIKDXFKO-JTQLQIEISA-N -1 1 296.334 1.865 20 0 CDADMM COc1ccccc1[C@H](C)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001580085565 1172347135 /nfs/dbraw/zinc/34/71/35/1172347135.db2.gz KNQZBYBIKDXFKO-JTQLQIEISA-N -1 1 296.334 1.865 20 0 CDADMM CN(C(=O)Cc1c[nH]c2cc(F)ccc12)c1nn[n-]n1 ZINC001586262461 1172938032 /nfs/dbraw/zinc/93/80/32/1172938032.db2.gz SMZLZZFFNFWCMI-UHFFFAOYSA-N -1 1 274.259 1.026 20 0 CDADMM C1=CCC(Cn2ccn3ncc(-c4nn[n-]n4)c23)C1 ZINC001588387715 1173058509 /nfs/dbraw/zinc/05/85/09/1173058509.db2.gz WFCPSWBUZXACMJ-UHFFFAOYSA-N -1 1 255.285 1.282 20 0 CDADMM C=C/C=C\CC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001588531017 1173078916 /nfs/dbraw/zinc/07/89/16/1173078916.db2.gz WWCXCMLKGDVMFS-ARJAWSKDSA-N -1 1 270.296 1.010 20 0 CDADMM C=C/C=C\CC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001588531017 1173078920 /nfs/dbraw/zinc/07/89/20/1173078920.db2.gz WWCXCMLKGDVMFS-ARJAWSKDSA-N -1 1 270.296 1.010 20 0 CDADMM C[C@@H](C(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1cccs1 ZINC001589021052 1173120054 /nfs/dbraw/zinc/12/00/54/1173120054.db2.gz NCQYPOTUQNCKQQ-ZCFIWIBFSA-N -1 1 289.324 1.394 20 0 CDADMM CC(C)(C)SCCCOc1cnc(-c2nn[n-]n2)nc1 ZINC001589209100 1173128293 /nfs/dbraw/zinc/12/82/93/1173128293.db2.gz RHKFQKLLUWTALY-UHFFFAOYSA-N -1 1 294.384 1.957 20 0 CDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C2CCC2)n1 ZINC001589249468 1173131685 /nfs/dbraw/zinc/13/16/85/1173131685.db2.gz RHKJDBFDBBWTIM-UHFFFAOYSA-N -1 1 289.343 1.557 20 0 CDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C2CCC2)n1 ZINC001589249468 1173131686 /nfs/dbraw/zinc/13/16/86/1173131686.db2.gz RHKJDBFDBBWTIM-UHFFFAOYSA-N -1 1 289.343 1.557 20 0 CDADMM CC(C)(/C=C/Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001589264212 1173132464 /nfs/dbraw/zinc/13/24/64/1173132464.db2.gz NFJVCTITRBLXCK-SNAWJCMRSA-N -1 1 265.708 1.022 20 0 CDADMM CC(C)(CO)CCNc1cccnc1-c1nnn[n-]1 ZINC001589293827 1173135211 /nfs/dbraw/zinc/13/52/11/1173135211.db2.gz NKOVGQDXQCHFTO-UHFFFAOYSA-N -1 1 262.317 1.082 20 0 CDADMM CC(C)(CO)CCNc1cccnc1-c1nn[n-]n1 ZINC001589293827 1173135215 /nfs/dbraw/zinc/13/52/15/1173135215.db2.gz NKOVGQDXQCHFTO-UHFFFAOYSA-N -1 1 262.317 1.082 20 0 CDADMM CC(C)[C@@H]1CCN1c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589510998 1173152935 /nfs/dbraw/zinc/15/29/35/1173152935.db2.gz RFVZOPUBHWMRJR-NSHDSACASA-N -1 1 285.355 1.769 20 0 CDADMM CC(C)[C@@H]1CCN1c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589510998 1173152937 /nfs/dbraw/zinc/15/29/37/1173152937.db2.gz RFVZOPUBHWMRJR-NSHDSACASA-N -1 1 285.355 1.769 20 0 CDADMM CC(C)c1cc(CNc2cnc(-c3nnn[n-]3)cn2)on1 ZINC001589766732 1173176205 /nfs/dbraw/zinc/17/62/05/1173176205.db2.gz ABPVBOKTKHTVMG-UHFFFAOYSA-N -1 1 286.299 1.380 20 0 CDADMM CC(C)c1cc(CNc2cnc(-c3nn[n-]n3)cn2)on1 ZINC001589766732 1173176210 /nfs/dbraw/zinc/17/62/10/1173176210.db2.gz ABPVBOKTKHTVMG-UHFFFAOYSA-N -1 1 286.299 1.380 20 0 CDADMM CC(C)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)n[nH]1 ZINC001589767360 1173176522 /nfs/dbraw/zinc/17/65/22/1173176522.db2.gz VYACXXDTTOTCRZ-UHFFFAOYSA-N -1 1 287.283 1.559 20 0 CDADMM CC(C)c1cc(CNc2ncncc2-c2nn[n-]n2)on1 ZINC001589767374 1173177116 /nfs/dbraw/zinc/17/71/16/1173177116.db2.gz WMXLNQZXSIAQKX-UHFFFAOYSA-N -1 1 286.299 1.380 20 0 CDADMM C[C@@H](C1CC1)N(C)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589788402 1173181639 /nfs/dbraw/zinc/18/16/39/1173181639.db2.gz ZZJCANULYZTVHN-ZETCQYMHSA-N -1 1 277.353 1.799 20 0 CDADMM C[C@H](CNc1cccnc1-c1nnn[n-]1)Cn1cccn1 ZINC001589879929 1173192328 /nfs/dbraw/zinc/19/23/28/1173192328.db2.gz YZONKTLHPSYNAY-SNVBAGLBSA-N -1 1 284.327 1.206 20 0 CDADMM C[C@H](CNc1cccnc1-c1nn[n-]n1)Cn1cccn1 ZINC001589879929 1173192333 /nfs/dbraw/zinc/19/23/33/1173192333.db2.gz YZONKTLHPSYNAY-SNVBAGLBSA-N -1 1 284.327 1.206 20 0 CDADMM C[C@H](OC(=O)c1sccc1-c1nn[n-]n1)C(F)F ZINC001590016353 1173234997 /nfs/dbraw/zinc/23/49/97/1173234997.db2.gz UEIYQBGYGMHJBC-BYPYZUCNSA-N -1 1 274.252 1.739 20 0 CDADMM CC1(C)CCC[C@@H](COc2cnc(-c3nn[n-]n3)nc2)O1 ZINC001590095486 1173257161 /nfs/dbraw/zinc/25/71/61/1173257161.db2.gz ZDIWMKSYZIFNNX-VIFPVBQESA-N -1 1 290.327 1.383 20 0 CDADMM C[C@]1(COC(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@H]2C[C@H]2C1 ZINC001590139815 1173268771 /nfs/dbraw/zinc/26/87/71/1173268771.db2.gz MSUPCKAMYYIHCP-HBYGRHMLSA-N -1 1 299.334 1.855 20 0 CDADMM C[C@]1(COC(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@H]2C[C@H]2C1 ZINC001590139815 1173268772 /nfs/dbraw/zinc/26/87/72/1173268772.db2.gz MSUPCKAMYYIHCP-HBYGRHMLSA-N -1 1 299.334 1.855 20 0 CDADMM C[C@H]1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)O1 ZINC001590241114 1173313591 /nfs/dbraw/zinc/31/35/91/1173313591.db2.gz GIFIBNVUVRKKQT-DTWKUNHWSA-N -1 1 275.316 1.026 20 0 CDADMM C[C@H]1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)O1 ZINC001590241114 1173313598 /nfs/dbraw/zinc/31/35/98/1173313598.db2.gz GIFIBNVUVRKKQT-DTWKUNHWSA-N -1 1 275.316 1.026 20 0 CDADMM C[C@H]1CCCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590253626 1173320673 /nfs/dbraw/zinc/32/06/73/1173320673.db2.gz HCHONDKVPOTVHK-VIFPVBQESA-N -1 1 259.317 1.283 20 0 CDADMM C[C@H]1CCCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590253626 1173320680 /nfs/dbraw/zinc/32/06/80/1173320680.db2.gz HCHONDKVPOTVHK-VIFPVBQESA-N -1 1 259.317 1.283 20 0 CDADMM C[C@H]1CCCCN1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590256770 1173322767 /nfs/dbraw/zinc/32/27/67/1173322767.db2.gz LTPXVVCDIYQPML-QMMMGPOBSA-N -1 1 292.368 1.447 20 0 CDADMM C[C@H]1CCCCN1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590256770 1173322774 /nfs/dbraw/zinc/32/27/74/1173322774.db2.gz LTPXVVCDIYQPML-QMMMGPOBSA-N -1 1 292.368 1.447 20 0 CDADMM C[C@@H]1COCC[C@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC001590321861 1173355903 /nfs/dbraw/zinc/35/59/03/1173355903.db2.gz CZJSWONELHNHRB-ZJUUUORDSA-N -1 1 274.328 1.346 20 0 CDADMM C[C@@H]1COCC[C@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC001590321861 1173355911 /nfs/dbraw/zinc/35/59/11/1173355911.db2.gz CZJSWONELHNHRB-ZJUUUORDSA-N -1 1 274.328 1.346 20 0 CDADMM CCC(CC)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001590430490 1173409041 /nfs/dbraw/zinc/40/90/41/1173409041.db2.gz YQVNCCBHOLNCLP-UHFFFAOYSA-N -1 1 281.341 1.803 20 0 CDADMM CCC(CC)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001590430490 1173409049 /nfs/dbraw/zinc/40/90/49/1173409049.db2.gz YQVNCCBHOLNCLP-UHFFFAOYSA-N -1 1 281.341 1.803 20 0 CDADMM CC[C@@H](COCC1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001590447322 1173412074 /nfs/dbraw/zinc/41/20/74/1173412074.db2.gz NDRPEISIAAVMEX-JTQLQIEISA-N -1 1 289.343 1.274 20 0 CDADMM CC[C@@H](COCC1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001590447322 1173412077 /nfs/dbraw/zinc/41/20/77/1173412077.db2.gz NDRPEISIAAVMEX-JTQLQIEISA-N -1 1 289.343 1.274 20 0 CDADMM CC[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001590460187 1173417455 /nfs/dbraw/zinc/41/74/55/1173417455.db2.gz YNSSIRXPBOBXPM-VIFPVBQESA-N -1 1 272.312 1.180 20 0 CDADMM CC[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001590460187 1173417459 /nfs/dbraw/zinc/41/74/59/1173417459.db2.gz YNSSIRXPBOBXPM-VIFPVBQESA-N -1 1 272.312 1.180 20 0 CDADMM CC[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCCO1 ZINC001590473995 1173425649 /nfs/dbraw/zinc/42/56/49/1173425649.db2.gz VDMGECDSINCKAL-GXSJLCMTSA-N -1 1 289.343 1.416 20 0 CDADMM CC[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCCO1 ZINC001590473995 1173425654 /nfs/dbraw/zinc/42/56/54/1173425654.db2.gz VDMGECDSINCKAL-GXSJLCMTSA-N -1 1 289.343 1.416 20 0 CDADMM CC[C@@H](SC)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590482095 1173431054 /nfs/dbraw/zinc/43/10/54/1173431054.db2.gz SMSRTUDCNFGRJG-MRVPVSSYSA-N -1 1 297.409 1.686 20 0 CDADMM CC[C@@H]1C[C@H](Nc2cccnc2-c2nnn[n-]2)CCO1 ZINC001590505236 1173439636 /nfs/dbraw/zinc/43/96/36/1173439636.db2.gz OQTDPZGEJFMVNA-NXEZZACHSA-N -1 1 274.328 1.631 20 0 CDADMM CC[C@@H]1C[C@H](Nc2cccnc2-c2nn[n-]n2)CCO1 ZINC001590505236 1173439639 /nfs/dbraw/zinc/43/96/39/1173439639.db2.gz OQTDPZGEJFMVNA-NXEZZACHSA-N -1 1 274.328 1.631 20 0 CDADMM CC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001590514642 1173446945 /nfs/dbraw/zinc/44/69/45/1173446945.db2.gz KUKZBOASKHNSEY-MRVPVSSYSA-N -1 1 261.285 1.332 20 0 CDADMM CC[C@H]1CN(c2cccnc2-c2nnn[n-]2)CCCO1 ZINC001590520837 1173449655 /nfs/dbraw/zinc/44/96/55/1173449655.db2.gz JQABBDMXYUJRES-JTQLQIEISA-N -1 1 274.328 1.267 20 0 CDADMM CC[C@H]1CN(c2cccnc2-c2nn[n-]n2)CCCO1 ZINC001590520837 1173449659 /nfs/dbraw/zinc/44/96/59/1173449659.db2.gz JQABBDMXYUJRES-JTQLQIEISA-N -1 1 274.328 1.267 20 0 CDADMM CCCC1(CNC(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001590563764 1173465201 /nfs/dbraw/zinc/46/52/01/1173465201.db2.gz LVMSVPUOERQFHF-UHFFFAOYSA-N -1 1 275.312 1.770 20 0 CDADMM CCCC1(CNC(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001590563764 1173465203 /nfs/dbraw/zinc/46/52/03/1173465203.db2.gz LVMSVPUOERQFHF-UHFFFAOYSA-N -1 1 275.312 1.770 20 0 CDADMM CCCC[C@H](C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001590577156 1173468162 /nfs/dbraw/zinc/46/81/62/1173468162.db2.gz OTQGBDGKHJWZKY-ZETCQYMHSA-N -1 1 263.305 1.112 20 0 CDADMM CCCCCCC(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001590590880 1173469379 /nfs/dbraw/zinc/46/93/79/1173469379.db2.gz ZLNRBYFBJIVFRQ-UHFFFAOYSA-N -1 1 291.359 1.818 20 0 CDADMM CCCCCCC(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001590590880 1173469382 /nfs/dbraw/zinc/46/93/82/1173469382.db2.gz ZLNRBYFBJIVFRQ-UHFFFAOYSA-N -1 1 291.359 1.818 20 0 CDADMM CCCCCCOCC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001590596448 1173472765 /nfs/dbraw/zinc/47/27/65/1173472765.db2.gz XPRSACXPZXGMDQ-UHFFFAOYSA-N -1 1 293.331 1.125 20 0 CDADMM CCN(C[C@@H]1CCCO1)c1ccc(C)c(-c2nnn[n-]2)n1 ZINC001590691226 1173493296 /nfs/dbraw/zinc/49/32/96/1173493296.db2.gz IYEPOLSMPUETJE-NSHDSACASA-N -1 1 288.355 1.575 20 0 CDADMM CCN(C[C@@H]1CCCO1)c1ccc(C)c(-c2nn[n-]n2)n1 ZINC001590691226 1173493309 /nfs/dbraw/zinc/49/33/09/1173493309.db2.gz IYEPOLSMPUETJE-NSHDSACASA-N -1 1 288.355 1.575 20 0 CDADMM CCN(CCC1CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001590692516 1173494969 /nfs/dbraw/zinc/49/49/69/1173494969.db2.gz UEBTVADFSWYOTK-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CCN(CCC1CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001590692516 1173494978 /nfs/dbraw/zinc/49/49/78/1173494978.db2.gz UEBTVADFSWYOTK-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CCOC1CC2(C[C@@H]2Nc2ncncc2-c2nn[n-]n2)C1 ZINC001590794508 1173512398 /nfs/dbraw/zinc/51/23/98/1173512398.db2.gz IDJDBEICVBTRAC-SLYADPJGSA-N -1 1 287.327 1.026 20 0 CDADMM CCO[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001590819874 1173522448 /nfs/dbraw/zinc/52/24/48/1173522448.db2.gz SKPRSUSZZIQXPT-MWLCHTKSSA-N -1 1 289.343 1.416 20 0 CDADMM CCO[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001590819874 1173522451 /nfs/dbraw/zinc/52/24/51/1173522451.db2.gz SKPRSUSZZIQXPT-MWLCHTKSSA-N -1 1 289.343 1.416 20 0 CDADMM CCc1onc(C)c1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001590938153 1173546828 /nfs/dbraw/zinc/54/68/28/1173546828.db2.gz PGZJHUIZQWTEFA-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CCc1onc(C)c1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001590938153 1173546834 /nfs/dbraw/zinc/54/68/34/1173546834.db2.gz PGZJHUIZQWTEFA-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CN(C(=O)C1CCCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590977996 1173556329 /nfs/dbraw/zinc/55/63/29/1173556329.db2.gz QEFVFAPTAXURPE-UHFFFAOYSA-N -1 1 286.339 1.805 20 0 CDADMM CN(C(=O)C1CCCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590977996 1173556334 /nfs/dbraw/zinc/55/63/34/1173556334.db2.gz QEFVFAPTAXURPE-UHFFFAOYSA-N -1 1 286.339 1.805 20 0 CDADMM COC(=O)CCCCCNc1ccnc(-c2nnn[n-]2)c1 ZINC001591262291 1173595531 /nfs/dbraw/zinc/59/55/31/1173595531.db2.gz QVPDWWSBSSJVSQ-UHFFFAOYSA-N -1 1 290.327 1.407 20 0 CDADMM COC(=O)CCCCCNc1ccnc(-c2nn[n-]n2)c1 ZINC001591262291 1173595540 /nfs/dbraw/zinc/59/55/40/1173595540.db2.gz QVPDWWSBSSJVSQ-UHFFFAOYSA-N -1 1 290.327 1.407 20 0 CDADMM COC1(COC(=O)c2ccc(-c3nn[n-]n3)o2)CCC1 ZINC001591344428 1173619753 /nfs/dbraw/zinc/61/97/53/1173619753.db2.gz VFUFTHSOVRFHNI-UHFFFAOYSA-N -1 1 278.268 1.186 20 0 CDADMM COCC[C@@H](C)CNc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001591399853 1173647560 /nfs/dbraw/zinc/64/75/60/1173647560.db2.gz XAFVEZOYFRVMOU-SECBINFHSA-N -1 1 276.344 1.655 20 0 CDADMM COCC[C@@H](C)CNc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001591399853 1173647566 /nfs/dbraw/zinc/64/75/66/1173647566.db2.gz XAFVEZOYFRVMOU-SECBINFHSA-N -1 1 276.344 1.655 20 0 CDADMM CON(CC(C)(C)C)c1ccnc(-c2nn[n-]n2)n1 ZINC001591465509 1173656610 /nfs/dbraw/zinc/65/66/10/1173656610.db2.gz WLZYBYVVHUNEMD-UHFFFAOYSA-N -1 1 263.305 1.071 20 0 CDADMM C[C@H]1c2ccccc2CN1c1cc(-c2nnn[n-]2)ncn1 ZINC001591775637 1173699258 /nfs/dbraw/zinc/69/92/58/1173699258.db2.gz GADVTCZEHOIUAQ-VIFPVBQESA-N -1 1 279.307 1.738 20 0 CDADMM C[C@H]1c2ccccc2CN1c1cc(-c2nn[n-]n2)ncn1 ZINC001591775637 1173699262 /nfs/dbraw/zinc/69/92/62/1173699262.db2.gz GADVTCZEHOIUAQ-VIFPVBQESA-N -1 1 279.307 1.738 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H](C)C(C)(C)C)n1 ZINC001591883173 1173734679 /nfs/dbraw/zinc/73/46/79/1173734679.db2.gz XYJDMGCIGOUJGC-SECBINFHSA-N -1 1 275.360 1.836 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H](C)C(C)(C)C)n1 ZINC001591883173 1173734689 /nfs/dbraw/zinc/73/46/89/1173734689.db2.gz XYJDMGCIGOUJGC-SECBINFHSA-N -1 1 275.360 1.836 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC001591893542 1173742881 /nfs/dbraw/zinc/74/28/81/1173742881.db2.gz CUCGAZIDOXILGQ-UTLUCORTSA-N -1 1 271.328 1.566 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC001591893542 1173742885 /nfs/dbraw/zinc/74/28/85/1173742885.db2.gz CUCGAZIDOXILGQ-UTLUCORTSA-N -1 1 271.328 1.566 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(Oc2cccc(C=O)c2)n1 ZINC001591902997 1173745484 /nfs/dbraw/zinc/74/54/84/1173745484.db2.gz DPLAMLDSRHRDQH-UHFFFAOYSA-N -1 1 282.263 1.570 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(Oc2cccc(C=O)c2)n1 ZINC001591902997 1173745486 /nfs/dbraw/zinc/74/54/86/1173745486.db2.gz DPLAMLDSRHRDQH-UHFFFAOYSA-N -1 1 282.263 1.570 20 0 CDADMM Cc1cc(N2C[C@@H]3CSC[C@@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001592011223 1173770982 /nfs/dbraw/zinc/77/09/82/1173770982.db2.gz DUCWIFWMLPDTNX-AOOOYVTPSA-N -1 1 288.380 1.369 20 0 CDADMM Cc1cc(N2C[C@@H]3CSC[C@@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001592011223 1173770985 /nfs/dbraw/zinc/77/09/85/1173770985.db2.gz DUCWIFWMLPDTNX-AOOOYVTPSA-N -1 1 288.380 1.369 20 0 CDADMM Cc1cc(N[C@@H](CO)CC(C)(C)C)nc(-c2nnn[n-]2)c1 ZINC001592035749 1173778032 /nfs/dbraw/zinc/77/80/32/1173778032.db2.gz SGGSXRMYBQOPPB-SNVBAGLBSA-N -1 1 290.371 1.779 20 0 CDADMM Cc1cc(N[C@@H](CO)CC(C)(C)C)nc(-c2nn[n-]n2)c1 ZINC001592035749 1173778040 /nfs/dbraw/zinc/77/80/40/1173778040.db2.gz SGGSXRMYBQOPPB-SNVBAGLBSA-N -1 1 290.371 1.779 20 0 CDADMM Cc1cc(NC[C@@H](O)CC(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001592042143 1173784143 /nfs/dbraw/zinc/78/41/43/1173784143.db2.gz ZYPXAVNXNPIVBB-NSHDSACASA-N -1 1 290.371 1.779 20 0 CDADMM Cc1cc(NC[C@@H](O)CC(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001592042143 1173784148 /nfs/dbraw/zinc/78/41/48/1173784148.db2.gz ZYPXAVNXNPIVBB-NSHDSACASA-N -1 1 290.371 1.779 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC/C=C\C1CC1 ZINC001592115047 1173804684 /nfs/dbraw/zinc/80/46/84/1173804684.db2.gz XBARARPSOHFBRN-IHWYPQMZSA-N -1 1 256.313 1.948 20 0 CDADMM Cc1ccc(Cn2cccc(-c3nn[n-]n3)c2=O)c(C)c1 ZINC001592171626 1173821188 /nfs/dbraw/zinc/82/11/88/1173821188.db2.gz LUSFGVYYCCLHFP-UHFFFAOYSA-N -1 1 281.319 1.694 20 0 CDADMM Cc1ccc(N(C)C[C@H]2CCC[C@@H]2O)nc1-c1nnn[n-]1 ZINC001592176025 1173824525 /nfs/dbraw/zinc/82/45/25/1173824525.db2.gz SKHRKNSHRJQRQI-MNOVXSKESA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(N(C)C[C@H]2CCC[C@@H]2O)nc1-c1nn[n-]n1 ZINC001592176025 1173824531 /nfs/dbraw/zinc/82/45/31/1173824531.db2.gz SKHRKNSHRJQRQI-MNOVXSKESA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(NCC(C)(C)C[C@@H](C)O)c(-c2nnn[n-]2)n1 ZINC001592183593 1173828198 /nfs/dbraw/zinc/82/81/98/1173828198.db2.gz VBEZIJIOAAHSBK-SNVBAGLBSA-N -1 1 290.371 1.779 20 0 CDADMM Cc1ccc(NCC(C)(C)C[C@@H](C)O)c(-c2nn[n-]n2)n1 ZINC001592183593 1173828207 /nfs/dbraw/zinc/82/82/07/1173828207.db2.gz VBEZIJIOAAHSBK-SNVBAGLBSA-N -1 1 290.371 1.779 20 0 CDADMM Cc1cccnc1[C@@H](C)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001592264364 1173838144 /nfs/dbraw/zinc/83/81/44/1173838144.db2.gz QRMHJTHKZXQSRG-SECBINFHSA-N -1 1 282.311 1.533 20 0 CDADMM Cc1cccnc1[C@@H](C)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001592264364 1173838146 /nfs/dbraw/zinc/83/81/46/1173838146.db2.gz QRMHJTHKZXQSRG-SECBINFHSA-N -1 1 282.311 1.533 20 0 CDADMM Cc1cccnc1[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001592264021 1173839435 /nfs/dbraw/zinc/83/94/35/1173839435.db2.gz MGRGNTIGVLUTIS-SECBINFHSA-N -1 1 282.311 1.533 20 0 CDADMM Cc1cccnc1[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001592264021 1173839438 /nfs/dbraw/zinc/83/94/38/1173839438.db2.gz MGRGNTIGVLUTIS-SECBINFHSA-N -1 1 282.311 1.533 20 0 CDADMM Cc1[nH]nc(NC(=O)CCCOC(C)C)c1-c1nn[n-]n1 ZINC001592327551 1173853917 /nfs/dbraw/zinc/85/39/17/1173853917.db2.gz FEWJHPAQTSODTP-UHFFFAOYSA-N -1 1 293.331 1.042 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(Cc2cscn2)c1C ZINC001592339293 1173859844 /nfs/dbraw/zinc/85/98/44/1173859844.db2.gz GOJOVMOTIKXXNR-UHFFFAOYSA-N -1 1 261.314 1.185 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2cscn2)c1C ZINC001592339293 1173859849 /nfs/dbraw/zinc/85/98/49/1173859849.db2.gz GOJOVMOTIKXXNR-UHFFFAOYSA-N -1 1 261.314 1.185 20 0 CDADMM Cc1nc(NC[C@H]2C(C)(C)C2(F)F)cc(-c2nnn[n-]2)n1 ZINC001592388069 1173878194 /nfs/dbraw/zinc/87/81/94/1173878194.db2.gz OFPQSRLRTKWUFI-QMMMGPOBSA-N -1 1 295.297 1.668 20 0 CDADMM Cc1nc(NC[C@H]2C(C)(C)C2(F)F)cc(-c2nn[n-]n2)n1 ZINC001592388069 1173878200 /nfs/dbraw/zinc/87/82/00/1173878200.db2.gz OFPQSRLRTKWUFI-QMMMGPOBSA-N -1 1 295.297 1.668 20 0 CDADMM Cc1nn(C)c(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1C ZINC001592432698 1173887437 /nfs/dbraw/zinc/88/74/37/1173887437.db2.gz HCCNJAYOPZKTKI-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCCCF ZINC001592503192 1173907918 /nfs/dbraw/zinc/90/79/18/1173907918.db2.gz SBWWPAQINKCYOU-UHFFFAOYSA-N -1 1 267.264 1.248 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCCCF ZINC001592503192 1173907916 /nfs/dbraw/zinc/90/79/16/1173907916.db2.gz SBWWPAQINKCYOU-UHFFFAOYSA-N -1 1 267.264 1.248 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001592500862 1173907806 /nfs/dbraw/zinc/90/78/06/1173907806.db2.gz ZJWOFXVQABFPAM-OCAPTIKFSA-N -1 1 291.311 1.018 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001592500862 1173907810 /nfs/dbraw/zinc/90/78/10/1173907810.db2.gz ZJWOFXVQABFPAM-OCAPTIKFSA-N -1 1 291.311 1.018 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CS[C@@H](C)C1 ZINC001592503901 1173908205 /nfs/dbraw/zinc/90/82/05/1173908205.db2.gz ZOZFQNKDWCOFHH-POYBYMJQSA-N -1 1 293.352 1.392 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CS[C@@H](C)C1 ZINC001592503901 1173908214 /nfs/dbraw/zinc/90/82/14/1173908214.db2.gz ZOZFQNKDWCOFHH-POYBYMJQSA-N -1 1 293.352 1.392 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCC(C)(F)F ZINC001592501124 1173909262 /nfs/dbraw/zinc/90/92/62/1173909262.db2.gz CYBHDKKOJCYGDM-UHFFFAOYSA-N -1 1 285.254 1.543 20 0 CDADMM Cn1nccc1CSCc1nc(-c2nnn[n-]2)cs1 ZINC001592607411 1173927245 /nfs/dbraw/zinc/92/72/45/1173927245.db2.gz AYQJQNPSOAYXFV-UHFFFAOYSA-N -1 1 293.381 1.490 20 0 CDADMM Cn1nccc1CSCc1nc(-c2nn[n-]n2)cs1 ZINC001592607411 1173927248 /nfs/dbraw/zinc/92/72/48/1173927248.db2.gz AYQJQNPSOAYXFV-UHFFFAOYSA-N -1 1 293.381 1.490 20 0 CDADMM FC1(F)CCC[C@@H](CNc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001592628402 1173935007 /nfs/dbraw/zinc/93/50/07/1173935007.db2.gz SISSEGOMCQORHI-SECBINFHSA-N -1 1 294.309 1.921 20 0 CDADMM FC1(F)CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001592628402 1173935015 /nfs/dbraw/zinc/93/50/15/1173935015.db2.gz SISSEGOMCQORHI-SECBINFHSA-N -1 1 294.309 1.921 20 0 CDADMM FC1(F)CCC[C@H]1CCNc1ncncc1-c1nn[n-]n1 ZINC001592628831 1173937644 /nfs/dbraw/zinc/93/76/44/1173937644.db2.gz XGIDKUUIFOQILC-QMMMGPOBSA-N -1 1 295.297 1.894 20 0 CDADMM F[C@@H]1CCC[C@H](Nc2ncncc2-c2nn[n-]n2)C1 ZINC001592631876 1173942597 /nfs/dbraw/zinc/94/25/97/1173942597.db2.gz YXPHFMFAKAFZCE-SFYZADRCSA-N -1 1 263.280 1.349 20 0 CDADMM Fc1cccc(C=CCNc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001592655058 1173954102 /nfs/dbraw/zinc/95/41/02/1173954102.db2.gz QBYMVWMFZJOGRI-RQOWECAXSA-N -1 1 285.286 1.854 20 0 CDADMM Fc1cccc(C=CCNc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001592655058 1173954106 /nfs/dbraw/zinc/95/41/06/1173954106.db2.gz QBYMVWMFZJOGRI-RQOWECAXSA-N -1 1 285.286 1.854 20 0 CDADMM Fc1ccccc1CCCNc1ncncc1-c1nn[n-]n1 ZINC001592659014 1173958891 /nfs/dbraw/zinc/95/88/91/1173958891.db2.gz MAZFYQFHBBFJJI-UHFFFAOYSA-N -1 1 299.313 1.841 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1ccc[nH]1 ZINC001593137003 1174024854 /nfs/dbraw/zinc/02/48/54/1174024854.db2.gz MBDJOUQGOTYGHZ-UHFFFAOYSA-N -1 1 274.309 1.186 20 0 CDADMM O=C([N-]Oc1cccc(-c2nn[nH]n2)c1)C(C1CC1)C1CC1 ZINC001593171000 1174028780 /nfs/dbraw/zinc/02/87/80/1174028780.db2.gz PKPHZEKJRWWHSW-UHFFFAOYSA-N -1 1 299.334 1.713 20 0 CDADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)C1=CCCC1 ZINC001593197831 1174031975 /nfs/dbraw/zinc/03/19/75/1174031975.db2.gz ZNYQFLZDYZPKES-UHFFFAOYSA-N -1 1 285.311 1.516 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1coc(C2CC2)n1 ZINC001593245510 1174039932 /nfs/dbraw/zinc/03/99/32/1174039932.db2.gz QPKOAGMJFTYWBT-UHFFFAOYSA-N -1 1 297.278 1.379 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1coc(C2CC2)n1 ZINC001593245510 1174039939 /nfs/dbraw/zinc/03/99/39/1174039939.db2.gz QPKOAGMJFTYWBT-UHFFFAOYSA-N -1 1 297.278 1.379 20 0 CDADMM O=C(Nc1cnoc1)c1ccsc1-c1nnn[n-]1 ZINC001593262965 1174041627 /nfs/dbraw/zinc/04/16/27/1174041627.db2.gz VSBYEMOXIIXWKZ-UHFFFAOYSA-N -1 1 262.254 1.169 20 0 CDADMM O=C(Nc1cnoc1)c1ccsc1-c1nn[n-]n1 ZINC001593262965 1174041632 /nfs/dbraw/zinc/04/16/32/1174041632.db2.gz VSBYEMOXIIXWKZ-UHFFFAOYSA-N -1 1 262.254 1.169 20 0 CDADMM O=C(Nc1ccns1)c1ccc(-c2nnn[n-]2)s1 ZINC001593257045 1174043663 /nfs/dbraw/zinc/04/36/63/1174043663.db2.gz MXZIUZCCUCFCMK-UHFFFAOYSA-N -1 1 278.322 1.637 20 0 CDADMM O=C(Nc1ccns1)c1ccc(-c2nn[n-]n2)s1 ZINC001593257045 1174043671 /nfs/dbraw/zinc/04/36/71/1174043671.db2.gz MXZIUZCCUCFCMK-UHFFFAOYSA-N -1 1 278.322 1.637 20 0 CDADMM O=C(OC1(C2CC2)CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593282377 1174049624 /nfs/dbraw/zinc/04/96/24/1174049624.db2.gz UIHUMKJJECYNOD-UHFFFAOYSA-N -1 1 271.280 1.361 20 0 CDADMM O=C(OC1(C2CC2)CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593282377 1174049631 /nfs/dbraw/zinc/04/96/31/1174049631.db2.gz UIHUMKJJECYNOD-UHFFFAOYSA-N -1 1 271.280 1.361 20 0 CDADMM O=C(OC[C@H]1C[C@]12CCOC2)c1ccc(-c2nn[n-]n2)o1 ZINC001593285355 1174050564 /nfs/dbraw/zinc/05/05/64/1174050564.db2.gz TYVINLQJEVESFV-OQPBUACISA-N -1 1 290.279 1.043 20 0 CDADMM O=C(OC[C@H]1CCCS1)c1ccc(-c2nn[n-]n2)o1 ZINC001593284191 1174051535 /nfs/dbraw/zinc/05/15/35/1174051535.db2.gz LJTHMKJJTUDZJX-SSDOTTSWSA-N -1 1 280.309 1.512 20 0 CDADMM O=C(OCCC[C@@H]1CCCO1)c1coc(-c2nnn[n-]2)c1 ZINC001593287834 1174053795 /nfs/dbraw/zinc/05/37/95/1174053795.db2.gz QXCKLZODJOCIIJ-JTQLQIEISA-N -1 1 292.295 1.576 20 0 CDADMM O=C(OCCC[C@@H]1CCCO1)c1coc(-c2nn[n-]n2)c1 ZINC001593287834 1174053802 /nfs/dbraw/zinc/05/38/02/1174053802.db2.gz QXCKLZODJOCIIJ-JTQLQIEISA-N -1 1 292.295 1.576 20 0 CDADMM O=C1OCC[C@H]1CCCNc1cccnc1-c1nnn[n-]1 ZINC001593415405 1174077295 /nfs/dbraw/zinc/07/72/95/1174077295.db2.gz ZZZNINMFFMNVIQ-SECBINFHSA-N -1 1 288.311 1.017 20 0 CDADMM O=C1OCC[C@H]1CCCNc1cccnc1-c1nn[n-]n1 ZINC001593415405 1174077300 /nfs/dbraw/zinc/07/73/00/1174077300.db2.gz ZZZNINMFFMNVIQ-SECBINFHSA-N -1 1 288.311 1.017 20 0 CDADMM O=S(=O)(c1ccc(-c2nn[nH]n2)o1)N1CCCCCC1 ZINC001593455355 1174079395 /nfs/dbraw/zinc/07/93/95/1174079395.db2.gz ZXSVBOAARGQSDI-UHFFFAOYSA-N -1 1 297.340 1.024 20 0 CDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)o1)N1CCCCCC1 ZINC001593455355 1174079406 /nfs/dbraw/zinc/07/94/06/1174079406.db2.gz ZXSVBOAARGQSDI-UHFFFAOYSA-N -1 1 297.340 1.024 20 0 CDADMM O[C@H](CCNc1cc(-c2nnn[n-]2)ncn1)C1CCCC1 ZINC001593501909 1174090897 /nfs/dbraw/zinc/09/08/97/1174090897.db2.gz PRZHMUFGSJPLEC-LLVKDONJSA-N -1 1 289.343 1.010 20 0 CDADMM O[C@H](CCNc1cc(-c2nn[n-]n2)ncn1)C1CCCC1 ZINC001593501909 1174090905 /nfs/dbraw/zinc/09/09/05/1174090905.db2.gz PRZHMUFGSJPLEC-LLVKDONJSA-N -1 1 289.343 1.010 20 0 CDADMM OC1(CNc2cncc(-c3nnn[n-]3)n2)CCCCCC1 ZINC001593514934 1174095524 /nfs/dbraw/zinc/09/55/24/1174095524.db2.gz JEAIBOUZCPYVSX-UHFFFAOYSA-N -1 1 289.343 1.154 20 0 CDADMM OC1(CNc2cncc(-c3nn[n-]n3)n2)CCCCCC1 ZINC001593514934 1174095530 /nfs/dbraw/zinc/09/55/30/1174095530.db2.gz JEAIBOUZCPYVSX-UHFFFAOYSA-N -1 1 289.343 1.154 20 0 CDADMM c1c(N[C@@H]2C[C@H]3C[C@H]3C2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543511 1174112243 /nfs/dbraw/zinc/11/22/43/1174112243.db2.gz RMLSAYDHVROBMX-ILWJIGKKSA-N -1 1 283.339 1.745 20 0 CDADMM c1c(N[C@@H]2C[C@H]3C[C@H]3C2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543511 1174112250 /nfs/dbraw/zinc/11/22/50/1174112250.db2.gz RMLSAYDHVROBMX-ILWJIGKKSA-N -1 1 283.339 1.745 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CC3(C2)CCCC3)c1 ZINC001593550429 1174122373 /nfs/dbraw/zinc/12/23/73/1174122373.db2.gz UZVRBXWQQQZWNV-UHFFFAOYSA-N -1 1 256.313 1.642 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CC3(C2)CCCC3)c1 ZINC001593550429 1174122375 /nfs/dbraw/zinc/12/23/75/1174122375.db2.gz UZVRBXWQQQZWNV-UHFFFAOYSA-N -1 1 256.313 1.642 20 0 CDADMM c1cc(-c2nnn[n-]2)ncc1Cc1nc(C2CCCC2)no1 ZINC001593551208 1174125427 /nfs/dbraw/zinc/12/54/27/1174125427.db2.gz IMEZQGKSCQSTKN-UHFFFAOYSA-N -1 1 297.322 1.893 20 0 CDADMM c1cc(-c2nn[n-]n2)ncc1Cc1nc(C2CCCC2)no1 ZINC001593551208 1174125429 /nfs/dbraw/zinc/12/54/29/1174125429.db2.gz IMEZQGKSCQSTKN-UHFFFAOYSA-N -1 1 297.322 1.893 20 0 CDADMM c1cc(N2CC3(C2)CCCC3)nnc1-c1nnn[n-]1 ZINC001593557205 1174131069 /nfs/dbraw/zinc/13/10/69/1174131069.db2.gz HTCLQXFWXWSWOL-UHFFFAOYSA-N -1 1 257.301 1.037 20 0 CDADMM c1cc(N2CC3(C2)CCCC3)nnc1-c1nn[n-]n1 ZINC001593557205 1174131072 /nfs/dbraw/zinc/13/10/72/1174131072.db2.gz HTCLQXFWXWSWOL-UHFFFAOYSA-N -1 1 257.301 1.037 20 0 CDADMM c1c(-c2nn[n-]n2)nnn1C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC001593570738 1174143253 /nfs/dbraw/zinc/14/32/53/1174143253.db2.gz IHLXHZXWOVGADC-YPMHNXCESA-N -1 1 297.322 1.379 20 0 CDADMM c1oc2ccccc2c1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001593577949 1174144748 /nfs/dbraw/zinc/14/47/48/1174144748.db2.gz PHCJDDXJFODCTR-UHFFFAOYSA-N -1 1 293.290 1.437 20 0 CDADMM c1ncc(CNCc2nc(-c3nnn[n-]3)cs2)s1 ZINC001593592812 1174161110 /nfs/dbraw/zinc/16/11/10/1174161110.db2.gz DYFQVLPLSUXNPL-UHFFFAOYSA-N -1 1 279.354 1.070 20 0 CDADMM c1ncc(CNCc2nc(-c3nn[n-]n3)cs2)s1 ZINC001593592812 1174161114 /nfs/dbraw/zinc/16/11/14/1174161114.db2.gz DYFQVLPLSUXNPL-UHFFFAOYSA-N -1 1 279.354 1.070 20 0 CDADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CC(=O)[O-] ZINC001600240441 1174421175 /nfs/dbraw/zinc/42/11/75/1174421175.db2.gz KJMJEHKZEIMVFG-UHFFFAOYSA-N -1 1 291.351 1.160 20 0 CDADMM Cc1ccc2nc(CNC(=O)c3c[nH]c(C(=O)[O-])c3)[nH]c2c1 ZINC001600489957 1174489257 /nfs/dbraw/zinc/48/92/57/1174489257.db2.gz UJHBKPHTGQONCC-UHFFFAOYSA-N -1 1 298.302 1.828 20 0 CDADMM Cc1ccc2[nH]cc(C(=O)N[C@@H](C)CC(=O)[O-])c(=O)c2c1 ZINC001600503359 1174490882 /nfs/dbraw/zinc/49/08/82/1174490882.db2.gz FUAFOPNUKVSKSJ-VIFPVBQESA-N -1 1 288.303 1.430 20 0 CDADMM Cc1ccccc1-c1noc(CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)n1 ZINC001600564069 1174506615 /nfs/dbraw/zinc/50/66/15/1174506615.db2.gz VRCYJNJYNNVXQH-IMRBUKKESA-N -1 1 299.330 1.807 20 0 CDADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)C1=COCC1 ZINC000095234474 1174516910 /nfs/dbraw/zinc/51/69/10/1174516910.db2.gz WCSJNCVAKWHZSM-UHFFFAOYSA-N -1 1 287.279 1.021 20 0 CDADMM Cc1nc([C@H](C)NC(=O)C=Cc2cc(C(=O)[O-])co2)n[nH]1 ZINC001600792146 1174612129 /nfs/dbraw/zinc/61/21/29/1174612129.db2.gz KKRSWGRSOFEZOL-SDLBARTOSA-N -1 1 290.279 1.295 20 0 CDADMM Cn1c(CN[C@H]2c3ccccc3C[C@H]2O)ccc1C(=O)[O-] ZINC001600917046 1174664483 /nfs/dbraw/zinc/66/44/83/1174664483.db2.gz ZNCPDDSNHSFRDT-CABCVRRESA-N -1 1 286.331 1.471 20 0 CDADMM Cn1cc(C[C@@H]2CCN(Cc3cc(C(=O)[O-])no3)C2)cn1 ZINC001600949173 1174673135 /nfs/dbraw/zinc/67/31/35/1174673135.db2.gz JBULOGMADWQNGH-JTQLQIEISA-N -1 1 290.323 1.171 20 0 CDADMM Cn1ccc(CN2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)n1 ZINC001600976285 1174689266 /nfs/dbraw/zinc/68/92/66/1174689266.db2.gz NNEMNVCJGWMUNM-HNNXBMFYSA-N -1 1 293.367 1.002 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)C[C@@H]3CCCO3)[nH]c21 ZINC001601253535 1174813522 /nfs/dbraw/zinc/81/35/22/1174813522.db2.gz BUKDMHWIESZLSQ-QMMMGPOBSA-N -1 1 289.291 1.769 20 0 CDADMM O=C([O-])c1ccc(CCC(=O)OCc2c[nH]nn2)cc1 ZINC001601287758 1174824807 /nfs/dbraw/zinc/82/48/07/1174824807.db2.gz CYRGQPZATYDDTR-UHFFFAOYSA-N -1 1 275.264 1.179 20 0 CDADMM O=C([O-])C1([C@]2(O)CCCN(Cc3cscn3)C2)CCC1 ZINC001601706557 1174959617 /nfs/dbraw/zinc/95/96/17/1174959617.db2.gz SYRUNLUGGOPTBC-AWEZNQCLSA-N -1 1 296.392 1.725 20 0 CDADMM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC001601757059 1174991176 /nfs/dbraw/zinc/99/11/76/1174991176.db2.gz LYPJTGXXHVSHRP-TUAOUCFPSA-N -1 1 281.352 1.817 20 0 CDADMM O=C([O-])[C@H]1CCCC[C@@H]1CN1CCN(C2CC2)C(=O)C1 ZINC001601814638 1175021035 /nfs/dbraw/zinc/02/10/35/1175021035.db2.gz UVYBTYZHLSSPBQ-YPMHNXCESA-N -1 1 280.368 1.184 20 0 CDADMM O=C([O-])/C=C\c1ccc(CN(CCCO)C2CC2)o1 ZINC001601878221 1175047899 /nfs/dbraw/zinc/04/78/99/1175047899.db2.gz ZIUZXQLEHPRREZ-SREVYHEPSA-N -1 1 265.309 1.724 20 0 CDADMM O=C([O-])C[C@H]1CCCCN1Cn1c(=O)oc2ccccc21 ZINC001601949450 1175081535 /nfs/dbraw/zinc/08/15/35/1175081535.db2.gz BQWSZEHFLDNYDU-LLVKDONJSA-N -1 1 290.319 1.881 20 0 CDADMM CC(=O)c1cc(C[N@H+]2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)on1 ZINC001603103897 1175491755 /nfs/dbraw/zinc/49/17/55/1175491755.db2.gz ZEVVCSIQLBWOGQ-IAQYHMDHSA-N -1 1 292.335 1.954 20 0 CDADMM CC(C)(CNc1cc(-c2nnn[n-]2)ncn1)C1CCC1 ZINC001603150640 1175502720 /nfs/dbraw/zinc/50/27/20/1175502720.db2.gz IKTAVVSSWZMMCN-UHFFFAOYSA-N -1 1 273.344 1.895 20 0 CDADMM CC(C)(CNc1cc(-c2nn[n-]n2)ncn1)C1CCC1 ZINC001603150640 1175502723 /nfs/dbraw/zinc/50/27/23/1175502723.db2.gz IKTAVVSSWZMMCN-UHFFFAOYSA-N -1 1 273.344 1.895 20 0 CDADMM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CCc2nc[nH]n2)cc1 ZINC001603204546 1175515593 /nfs/dbraw/zinc/51/55/93/1175515593.db2.gz AAXAWUYDGOOFMD-SECBINFHSA-N -1 1 288.307 1.564 20 0 CDADMM CC(C)[C@H](F)C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001603225733 1175518144 /nfs/dbraw/zinc/51/81/44/1175518144.db2.gz VAJWVXIRVGHXBC-VIFPVBQESA-N -1 1 268.248 1.497 20 0 CDADMM CC(C)[C@H](F)C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001603225733 1175518148 /nfs/dbraw/zinc/51/81/48/1175518148.db2.gz VAJWVXIRVGHXBC-VIFPVBQESA-N -1 1 268.248 1.497 20 0 CDADMM CC(C)[C@@H]1CCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001603245698 1175526146 /nfs/dbraw/zinc/52/61/46/1175526146.db2.gz LALCCUQYJSVYNS-SECBINFHSA-N -1 1 259.317 1.139 20 0 CDADMM CC(C)[C@@H]1CCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001603245698 1175526155 /nfs/dbraw/zinc/52/61/55/1175526155.db2.gz LALCCUQYJSVYNS-SECBINFHSA-N -1 1 259.317 1.139 20 0 CDADMM CC(C)N(C)C(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001603315984 1175539190 /nfs/dbraw/zinc/53/91/90/1175539190.db2.gz QNESVIOCRRBVJM-UHFFFAOYSA-N -1 1 284.323 1.828 20 0 CDADMM CC(C)(C)CCNC(=O)CN[C@](C)(C(=O)[O-])C1CC1 ZINC001603333091 1175541676 /nfs/dbraw/zinc/54/16/76/1175541676.db2.gz FRRDHARDYOMWRH-AWEZNQCLSA-N -1 1 270.373 1.382 20 0 CDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)CC(F)(F)F ZINC001603558102 1175566144 /nfs/dbraw/zinc/56/61/44/1175566144.db2.gz DJAPHXRYKWHOIJ-LURJTMIESA-N -1 1 287.249 1.079 20 0 CDADMM CC1(C)C[C@@]1(C)CNc1ccnc(-c2nnn[n-]2)c1 ZINC001603763970 1175621221 /nfs/dbraw/zinc/62/12/21/1175621221.db2.gz BTNXQFXFHZXCPX-ZDUSSCGKSA-N -1 1 258.329 1.532 20 0 CDADMM CC1(C)C[C@@]1(C)CNc1ccnc(-c2nn[n-]n2)c1 ZINC001603763970 1175621226 /nfs/dbraw/zinc/62/12/26/1175621226.db2.gz BTNXQFXFHZXCPX-ZDUSSCGKSA-N -1 1 258.329 1.532 20 0 CDADMM CC1(CCOC(=O)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001603802573 1175636204 /nfs/dbraw/zinc/63/62/04/1175636204.db2.gz REXNLYNUEMYFCN-UHFFFAOYSA-N -1 1 273.296 1.609 20 0 CDADMM CC1(CCOC(=O)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001603802573 1175636209 /nfs/dbraw/zinc/63/62/09/1175636209.db2.gz REXNLYNUEMYFCN-UHFFFAOYSA-N -1 1 273.296 1.609 20 0 CDADMM C[C@]1(CNC(=O)c2coc(-c3nnn[n-]3)c2)CCCCO1 ZINC001603804756 1175638355 /nfs/dbraw/zinc/63/83/55/1175638355.db2.gz KKDIJYSMZHMIBP-CYBMUJFWSA-N -1 1 291.311 1.149 20 0 CDADMM C[C@]1(CNC(=O)c2coc(-c3nn[n-]n3)c2)CCCCO1 ZINC001603804756 1175638359 /nfs/dbraw/zinc/63/83/59/1175638359.db2.gz KKDIJYSMZHMIBP-CYBMUJFWSA-N -1 1 291.311 1.149 20 0 CDADMM CC12CC(C1)CN2C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001603821363 1175642794 /nfs/dbraw/zinc/64/27/94/1175642794.db2.gz JIBZXGDOXTUWAI-UHFFFAOYSA-N -1 1 287.298 1.630 20 0 CDADMM CC12CC(C1)CN2C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001603821363 1175642798 /nfs/dbraw/zinc/64/27/98/1175642798.db2.gz JIBZXGDOXTUWAI-UHFFFAOYSA-N -1 1 287.298 1.630 20 0 CDADMM CC(C)COC(=O)CN1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001603821684 1175643261 /nfs/dbraw/zinc/64/32/61/1175643261.db2.gz RUOMNHHFOMIUCX-RISCZKNCSA-N -1 1 269.341 1.515 20 0 CDADMM C[C@H]1CC(C)(C)CN1Cn1cccc(-c2nnn[n-]2)c1=O ZINC001603845869 1175650866 /nfs/dbraw/zinc/65/08/66/1175650866.db2.gz NHFCKHFEASUAIO-JTQLQIEISA-N -1 1 288.355 1.106 20 0 CDADMM C[C@@H]1C[C@H](C)[C@@H](C)N(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001603844568 1175651454 /nfs/dbraw/zinc/65/14/54/1175651454.db2.gz DCVHEWQGCHCKCM-KXUCPTDWSA-N -1 1 273.344 1.528 20 0 CDADMM C[C@@H]1C[C@H](C)[C@@H](C)N(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001603844568 1175651455 /nfs/dbraw/zinc/65/14/55/1175651455.db2.gz DCVHEWQGCHCKCM-KXUCPTDWSA-N -1 1 273.344 1.528 20 0 CDADMM C[C@@H]1CCC[C@H]1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001603888852 1175672603 /nfs/dbraw/zinc/67/26/03/1175672603.db2.gz BVOPYNQSGFUYNY-ZJUUUORDSA-N -1 1 258.329 1.532 20 0 CDADMM C[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001603888852 1175672608 /nfs/dbraw/zinc/67/26/08/1175672608.db2.gz BVOPYNQSGFUYNY-ZJUUUORDSA-N -1 1 258.329 1.532 20 0 CDADMM C[C@H](/C=C\C(=O)[O-])NC(=O)c1ccn(-c2ccncc2)n1 ZINC001604061521 1175742252 /nfs/dbraw/zinc/74/22/52/1175742252.db2.gz SSVFLWGTGJZXCT-MXQLGCADSA-N -1 1 286.291 1.026 20 0 CDADMM C[C@@H](/C=C\C(=O)[O-])NC(=O)c1ccn(-c2ccncc2)n1 ZINC001604061526 1175742300 /nfs/dbraw/zinc/74/23/00/1175742300.db2.gz SSVFLWGTGJZXCT-ZMWSMAPVSA-N -1 1 286.291 1.026 20 0 CDADMM CC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001604065352 1175744582 /nfs/dbraw/zinc/74/45/82/1175744582.db2.gz VXTJHVZWLIWRSS-LLVKDONJSA-N -1 1 287.371 1.849 20 0 CDADMM CC[C@@]1(C)CN(c2cc(C)nc(-c3nnn[n-]3)c2)CCO1 ZINC001604084625 1175751608 /nfs/dbraw/zinc/75/16/08/1175751608.db2.gz SCFKAVLRMSNTNR-AWEZNQCLSA-N -1 1 288.355 1.575 20 0 CDADMM CC[C@@]1(C)CN(c2cc(C)nc(-c3nn[n-]n3)c2)CCO1 ZINC001604084625 1175751612 /nfs/dbraw/zinc/75/16/12/1175751612.db2.gz SCFKAVLRMSNTNR-AWEZNQCLSA-N -1 1 288.355 1.575 20 0 CDADMM COC(=O)c1ccccc1S(=O)(=O)[N-]CC(F)(F)F ZINC000217823153 1177705895 /nfs/dbraw/zinc/70/58/95/1177705895.db2.gz ABUUPUYYGHEVJX-UHFFFAOYSA-N -1 1 297.254 1.314 20 0 CDADMM O=C(c1ccc([O-])cc1F)N1CCCC[C@H]1CO ZINC000232385411 1178190656 /nfs/dbraw/zinc/19/06/56/1178190656.db2.gz UBNAQSVTLNXUPF-VIFPVBQESA-N -1 1 253.273 1.518 20 0 CDADMM CN(CC(=O)[N-]OC[C@H]1CCOC1)Cc1ccccc1 ZINC000188313037 1184352585 /nfs/dbraw/zinc/35/25/85/1184352585.db2.gz USESEDZHGGFQRE-AWEZNQCLSA-N -1 1 278.352 1.203 20 0 CDADMM COc1cccc(C2(NCc3cc(C(=O)[O-])n[nH]3)CC2)c1 ZINC001771908582 1186945665 /nfs/dbraw/zinc/94/56/65/1186945665.db2.gz SIQLVKBVNOXOSK-UHFFFAOYSA-N -1 1 287.319 1.895 20 0 CDADMM FC(F)(F)Oc1cccc(COCc2nn[n-]n2)c1 ZINC001771909068 1186947229 /nfs/dbraw/zinc/94/72/29/1186947229.db2.gz QSLZVHZXRABNGJ-UHFFFAOYSA-N -1 1 274.202 1.815 20 0 CDADMM CNC(=O)[C@]1(C)CCN([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001606263406 1163832216 /nfs/dbraw/zinc/83/22/16/1163832216.db2.gz LXAWUOFHKHGQAQ-ISVAXAHUSA-N -1 1 297.380 1.360 20 0 CDADMM FC(F)(F)COCSc1cccnc1-c1nnn[n-]1 ZINC001606288878 1163838777 /nfs/dbraw/zinc/83/87/77/1163838777.db2.gz NASYCDBMUNQHGK-UHFFFAOYSA-N -1 1 291.258 1.890 20 0 CDADMM FC(F)(F)COCSc1cccnc1-c1nn[n-]n1 ZINC001606288878 1163838782 /nfs/dbraw/zinc/83/87/82/1163838782.db2.gz NASYCDBMUNQHGK-UHFFFAOYSA-N -1 1 291.258 1.890 20 0 CDADMM FC1(F)CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001606300578 1163844900 /nfs/dbraw/zinc/84/49/00/1163844900.db2.gz ITGHUVVTOCZQBM-QMMMGPOBSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(F)CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001606300578 1163844904 /nfs/dbraw/zinc/84/49/04/1163844904.db2.gz ITGHUVVTOCZQBM-QMMMGPOBSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)CC1 ZINC001606301113 1163845093 /nfs/dbraw/zinc/84/50/93/1163845093.db2.gz NNCMBVMXWJGVNH-UHFFFAOYSA-N -1 1 263.280 1.381 20 0 CDADMM FC1(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)CC1 ZINC001606301113 1163845097 /nfs/dbraw/zinc/84/50/97/1163845097.db2.gz NNCMBVMXWJGVNH-UHFFFAOYSA-N -1 1 263.280 1.381 20 0 CDADMM COC(CN(CCCO)Cc1cccc(C(=O)[O-])c1)OC ZINC001606673862 1163955447 /nfs/dbraw/zinc/95/54/47/1163955447.db2.gz ACSUJZWQSAFECW-UHFFFAOYSA-N -1 1 297.351 1.188 20 0 CDADMM CO[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2F)[C@@](C)(CO)C1 ZINC001606771137 1163989708 /nfs/dbraw/zinc/98/97/08/1163989708.db2.gz KXSKTAZZZCWSME-SWLSCSKDSA-N -1 1 297.326 1.496 20 0 CDADMM O=C(N[C@@H]1COC(=O)C1)c1cc2ccccc2cc1[O-] ZINC000816677456 1164163981 /nfs/dbraw/zinc/16/39/81/1164163981.db2.gz RNSUSZYMNFTYLR-NSHDSACASA-N -1 1 271.272 1.591 20 0 CDADMM C[C@H]1[C@H](O)CCN1Cc1cc(C(=O)[O-])ccc1F ZINC001607482898 1164199911 /nfs/dbraw/zinc/19/99/11/1164199911.db2.gz XLSQLRLQZSQFSK-QPUJVOFHSA-N -1 1 253.273 1.479 20 0 CDADMM Cc1c(Cl)cnn1CN1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001607531398 1164218732 /nfs/dbraw/zinc/21/87/32/1164218732.db2.gz 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CDADMM C/C(=C\CN[C@]1(CO)CCOc2ccccc21)C(=O)[O-] ZINC001588981850 984869353 /nfs/dbraw/zinc/86/93/53/984869353.db2.gz HEACICLLJZMEEV-VQCVXAJWSA-N -1 1 277.320 1.277 20 0 CDADMM CCOC(=O)c1cc(CN2CC[C@H](C(=O)[O-])[C@@H]2C)on1 ZINC001596704140 984900976 /nfs/dbraw/zinc/90/09/76/984900976.db2.gz SSGCZBAVGAVMFU-WPRPVWTQSA-N -1 1 282.296 1.146 20 0 CDADMM C[C@H]1CC[C@@](NC(=O)C(F)(F)F)(C(=O)[O-])CC1 ZINC001599908389 984952994 /nfs/dbraw/zinc/95/29/94/984952994.db2.gz XPAKSECMFOFFJW-JOTVFPGJSA-N -1 1 253.220 1.698 20 0 CDADMM C[C@H]1CN(C(=O)[C@H]2CCN2C2CCCC2)C[C@]1(C)C(=O)[O-] ZINC001599912977 985012049 /nfs/dbraw/zinc/01/20/49/985012049.db2.gz PEQDTNJENJVIKV-GHJWDPDVSA-N -1 1 294.395 1.573 20 0 CDADMM C[C@H]1CN(C(=O)[C@@H]2CCN2C2CCCC2)C[C@]1(C)C(=O)[O-] ZINC001599912978 985012343 /nfs/dbraw/zinc/01/23/43/985012343.db2.gz PEQDTNJENJVIKV-RBOXIYTFSA-N -1 1 294.395 1.573 20 0 CDADMM C[C@H]1CN(Cc2ccncc2F)CC[C@H]1C(=O)[O-] ZINC001599929944 985292801 /nfs/dbraw/zinc/29/28/01/985292801.db2.gz IUFPAGZPSUBNND-GXSJLCMTSA-N -1 1 252.289 1.763 20 0 CDADMM CC(=O)NC[C@H]1CCCCN1Cc1cc(C(=O)[O-])cs1 ZINC001589130098 985417902 /nfs/dbraw/zinc/41/79/02/985417902.db2.gz NRHDCUWKPIRICI-GFCCVEGCSA-N -1 1 296.392 1.937 20 0 CDADMM CN(CC(=O)OC(C)(C)C)c1ccc(-c2nn[n-]n2)nc1 ZINC001604712141 1163292006 /nfs/dbraw/zinc/29/20/06/1163292006.db2.gz KRNMUIPQYKZQJU-UHFFFAOYSA-N -1 1 290.327 1.040 20 0 CDADMM CCOC[C@H](C(=O)[O-])N(C)Cc1ccc(COC)cc1 ZINC001596883407 985754470 /nfs/dbraw/zinc/75/44/70/985754470.db2.gz CFJZCPXHTWXYLP-CQSZACIVSA-N -1 1 281.352 1.755 20 0 CDADMM Cc1[nH]c(CN2CCO[C@@H](C)CC2)cc1C(=O)[O-] ZINC001599962281 985809320 /nfs/dbraw/zinc/80/93/20/985809320.db2.gz FNFYHEQXIMBIOU-VIFPVBQESA-N -1 1 252.314 1.632 20 0 CDADMM Cc1n[nH]c(C(=O)NCC2(CC(=O)[O-])CCCC2)c1C ZINC001599967457 985934460 /nfs/dbraw/zinc/93/44/60/985934460.db2.gz PWGBAQALWGBOKO-UHFFFAOYSA-N -1 1 279.340 1.791 20 0 CDADMM C[C@H]1CN(Cc2ccc(F)cc2C(=O)[O-])CCN1CCO ZINC001594538286 986166932 /nfs/dbraw/zinc/16/69/32/986166932.db2.gz LEHXGZMQMVYTLE-NSHDSACASA-N -1 1 296.342 1.022 20 0 CDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)N2CCC(C)CC2)CC1 ZINC001604744125 1163306750 /nfs/dbraw/zinc/30/67/50/1163306750.db2.gz GDDVJCVADSSGHR-ZDUSSCGKSA-N -1 1 297.399 1.319 20 0 CDADMM CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccccc1CC(=O)[O-] ZINC001597293839 987391908 /nfs/dbraw/zinc/39/19/08/987391908.db2.gz PETAKHPLHNYSPQ-CQSZACIVSA-N -1 1 290.363 1.414 20 0 CDADMM CC[C@@H]1C(=O)NCCCN1Cc1ccccc1CC(=O)[O-] ZINC001597293839 987391911 /nfs/dbraw/zinc/39/19/11/987391911.db2.gz PETAKHPLHNYSPQ-CQSZACIVSA-N -1 1 290.363 1.414 20 0 CDADMM CC[C@H](C)[C@H](NCc1cc(C(=O)[O-])oc1C)C(N)=O ZINC001597324641 987455565 /nfs/dbraw/zinc/45/55/65/987455565.db2.gz BJKOSHCHLFAIBV-CPCISQLKSA-N -1 1 268.313 1.276 20 0 CDADMM C[C@@H]1CN(C(=O)C2C(C)(C)C2(C)C)CCN1CCC(=O)[O-] ZINC001604770909 1163316319 /nfs/dbraw/zinc/31/63/19/1163316319.db2.gz IIOOUKSXNBIKBI-LLVKDONJSA-N -1 1 296.411 1.676 20 0 CDADMM CCc1[nH]c(CN2CC[C@@H](n3cccn3)C2)cc1C(=O)[O-] ZINC001597385081 987592729 /nfs/dbraw/zinc/59/27/29/987592729.db2.gz QDTJWGHLBSDROH-GFCCVEGCSA-N -1 1 288.351 1.919 20 0 CDADMM CCc1[nH]c(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H]2C)cc1C(=O)OC ZINC001597385393 987594177 /nfs/dbraw/zinc/59/41/77/987594177.db2.gz SMSDUUMHJFXQLC-MWLCHTKSSA-N -1 1 294.351 1.659 20 0 CDADMM CCc1cc(C)c(C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)o1 ZINC001597470821 987924986 /nfs/dbraw/zinc/92/49/86/987924986.db2.gz YLBMISMHOHMPLK-NSHDSACASA-N -1 1 294.351 1.239 20 0 CDADMM C[C@@H]1OCC[C@@]12CN(Cc1c[nH]c(C(=O)[O-])c1)C[C@@H](C)O2 ZINC001604797139 1163327086 /nfs/dbraw/zinc/32/70/86/1163327086.db2.gz IESDJXHSBSVGGT-JRPNMDOOSA-N -1 1 294.351 1.481 20 0 CDADMM CCc1nc(CNc2nc(Cl)c(C(=O)[O-])s2)n[nH]1 ZINC001597674181 988781022 /nfs/dbraw/zinc/78/10/22/988781022.db2.gz WSPAIWCJOJWYGJ-UHFFFAOYSA-N -1 1 287.732 1.787 20 0 CDADMM C[C@@H]1CN(Cc2cc(F)ncc2F)C[C@H]1CC(=O)[O-] ZINC001599866451 989270015 /nfs/dbraw/zinc/27/00/15/989270015.db2.gz DKXXXZGSGAJPNA-RKDXNWHRSA-N -1 1 270.279 1.902 20 0 CDADMM CCc1oc(CN(C)[C@@H](CO)COC(C)C)cc1C(=O)[O-] ZINC001597793001 989339204 /nfs/dbraw/zinc/33/92/04/989339204.db2.gz PSTKKJONMAIAEX-NSHDSACASA-N -1 1 299.367 1.758 20 0 CDADMM CC(C)(C)c1nc(CN2CCSC[C@H](C(=O)[O-])C2)n[nH]1 ZINC001590538836 990161964 /nfs/dbraw/zinc/16/19/64/990161964.db2.gz PXGHGDAZVHTCKB-SECBINFHSA-N -1 1 298.412 1.352 20 0 CDADMM CN(C)C1(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)CCC1 ZINC001598179005 990737452 /nfs/dbraw/zinc/73/74/52/990737452.db2.gz VVLIDZGNKUEHLL-UHFFFAOYSA-N -1 1 278.308 1.513 20 0 CDADMM CC(C)[C@@H](NCC(=O)N(C)Cc1ccc(F)cc1)C(=O)[O-] ZINC001591025359 991324235 /nfs/dbraw/zinc/32/42/35/991324235.db2.gz QBWPVYDOUPYJKQ-CQSZACIVSA-N -1 1 296.342 1.483 20 0 CDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001591057738 991468514 /nfs/dbraw/zinc/46/85/14/991468514.db2.gz IAAGHICRDRVKIH-GYSYKLTISA-N -1 1 279.340 1.204 20 0 CDADMM CN(C)c1ncccc1CNCc1cc(C(=O)[O-])n(C)c1 ZINC001598360124 991498810 /nfs/dbraw/zinc/49/88/10/991498810.db2.gz LRQHGPSXSNYTGN-UHFFFAOYSA-N -1 1 288.351 1.474 20 0 CDADMM COc1nnc(CN[C@]2(C)CCCC[C@H]2C(=O)[O-])s1 ZINC001599738811 991815887 /nfs/dbraw/zinc/81/58/87/991815887.db2.gz UXDRQDHEQFWAAC-QPUJVOFHSA-N -1 1 285.369 1.670 20 0 CDADMM COc1nsc(CN2C[C@@H]3C[C@@H]3C2)c1C(=O)[O-] ZINC001599740957 991855196 /nfs/dbraw/zinc/85/51/96/991855196.db2.gz ONOLZIXIPHOJNB-KNVOCYPGSA-N -1 1 254.311 1.302 20 0 CDADMM CC(C)C[N@@H+](CC(=O)[O-])Cc1cccc(C(=O)[O-])c1 ZINC001591303286 992251282 /nfs/dbraw/zinc/25/12/82/992251282.db2.gz QJJYVYPZGBUFPX-UHFFFAOYSA-N -1 1 265.309 1.927 20 0 CDADMM CC(C)COc1ccc(CN2C[C@@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001591401779 992476982 /nfs/dbraw/zinc/47/69/82/992476982.db2.gz YXOHGDASGKOTDI-DZGCQCFKSA-N -1 1 293.363 1.741 20 0 CDADMM CN(Cc1cnn(-c2ccccc2)c1)C[C@](C)(O)C(=O)[O-] ZINC001598534051 992828755 /nfs/dbraw/zinc/82/87/55/992828755.db2.gz LSHAKUQLEJQSAV-HNNXBMFYSA-N -1 1 289.335 1.140 20 0 CDADMM CN(Cc1ccsc1C(=O)[O-])C1CCS(=O)CC1 ZINC001598534115 992829269 /nfs/dbraw/zinc/82/92/69/992829269.db2.gz OUOSSRGWDUOORB-UHFFFAOYSA-N -1 1 287.406 1.789 20 0 CDADMM CN(Cn1ncc2cc(C(=O)[O-])ccc21)CC1(C)COC1 ZINC001598541982 992911822 /nfs/dbraw/zinc/91/18/22/992911822.db2.gz UQKOOWWXBCHEFY-UHFFFAOYSA-N -1 1 289.335 1.660 20 0 CDADMM CC[C@@H](C)c1nc([C@@H](C)Nc2cnc(C(=O)[O-])cn2)n[nH]1 ZINC001604978508 1163403475 /nfs/dbraw/zinc/40/34/75/1163403475.db2.gz ZIEBLHQNQPKFIS-HTQZYQBOSA-N -1 1 290.327 1.980 20 0 CDADMM CN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001598602599 993583613 /nfs/dbraw/zinc/58/36/13/993583613.db2.gz HWCPZEIDVVEXAU-RDBSUJKOSA-N -1 1 288.347 1.510 20 0 CDADMM C[C@H](N[C@@H](C(=O)[O-])C1CC1)C(=O)N(C)Cc1ccccc1 ZINC001593189588 994113124 /nfs/dbraw/zinc/11/31/24/994113124.db2.gz GWKHTUDVBNJYGR-SMDDNHRTSA-N -1 1 290.363 1.486 20 0 CDADMM CO[C@@H](C)CSCc1ccnc(-c2nnn[n-]2)c1 ZINC001605006175 1163414878 /nfs/dbraw/zinc/41/48/78/1163414878.db2.gz VXPWQEZQBACETK-QMMMGPOBSA-N -1 1 265.342 1.530 20 0 CDADMM CO[C@@H](C)CSCc1ccnc(-c2nn[n-]n2)c1 ZINC001605006175 1163414881 /nfs/dbraw/zinc/41/48/81/1163414881.db2.gz VXPWQEZQBACETK-QMMMGPOBSA-N -1 1 265.342 1.530 20 0 CDADMM CO[C@]1(C)C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1(C)C ZINC001605015188 1163418056 /nfs/dbraw/zinc/41/80/56/1163418056.db2.gz HXTQHXXRZRBYNO-TVQRCGJNSA-N -1 1 289.343 1.272 20 0 CDADMM CO[C@]1(C)C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1(C)C ZINC001605015188 1163418061 /nfs/dbraw/zinc/41/80/61/1163418061.db2.gz HXTQHXXRZRBYNO-TVQRCGJNSA-N -1 1 289.343 1.272 20 0 CDADMM C[C@H](NCc1ccc(C(=O)[O-])n1C)[C@H](O)C(F)(F)F ZINC001593297167 994700266 /nfs/dbraw/zinc/70/02/66/994700266.db2.gz SJUFLKQPNAWVOP-RCOVLWMOSA-N -1 1 280.246 1.125 20 0 CDADMM C[C@](O)(CN1CC[C@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC001593390975 995125416 /nfs/dbraw/zinc/12/54/16/995125416.db2.gz PGXRHJARULBPHS-AAEUAGOBSA-N -1 1 269.728 1.922 20 0 CDADMM C[C@H](c1ccc(F)cc1F)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001593697770 996158019 /nfs/dbraw/zinc/15/80/19/996158019.db2.gz OKJFEUXRWUZMEC-FXPVBKGRSA-N -1 1 285.290 1.793 20 0 CDADMM CC1(C)CCC(n2[nH]cc(CC(=O)[O-])c2=O)CC1 ZINC001593879644 996708506 /nfs/dbraw/zinc/70/85/06/996708506.db2.gz KZYRQNNGXYJDKE-SECBINFHSA-N -1 1 252.314 1.874 20 0 CDADMM CC[C@@H](NCc1ncc(Br)cn1)C(=O)[O-] ZINC001605100360 1163452737 /nfs/dbraw/zinc/45/27/37/1163452737.db2.gz MOQXONRSLFNMCB-SSDOTTSWSA-N -1 1 274.118 1.192 20 0 CDADMM CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC001599078699 996943017 /nfs/dbraw/zinc/94/30/17/996943017.db2.gz HUVXVSQCUSGJNC-AWEZNQCLSA-N -1 1 279.292 1.060 20 0 CDADMM CC1(C)OCC(NCc2ccoc2C(=O)[O-])CO1 ZINC001593977576 997177094 /nfs/dbraw/zinc/17/70/94/997177094.db2.gz QBTWEKGMRJDICR-UHFFFAOYSA-N -1 1 255.270 1.219 20 0 CDADMM COCC1(O)CCN(Cc2cc(C)c(C(=O)[O-])o2)CC1 ZINC001599202041 997324656 /nfs/dbraw/zinc/32/46/56/997324656.db2.gz XSGDECPTHIRNJR-UHFFFAOYSA-N -1 1 283.324 1.260 20 0 CDADMM CON(C(=O)c1ccc(O)c(Cl)c1)[C@@H](C)CC(=O)[O-] ZINC001599310601 997408557 /nfs/dbraw/zinc/40/85/57/997408557.db2.gz DDDQFXHQGYPXIQ-ZETCQYMHSA-N -1 1 287.699 1.912 20 0 CDADMM CON(C(=O)c1c2[nH]cnc2ccc1F)[C@@H](C)CC(=O)[O-] ZINC001599314846 997480889 /nfs/dbraw/zinc/48/08/89/997480889.db2.gz XNKKALBTTRDUIC-ZETCQYMHSA-N -1 1 295.270 1.569 20 0 CDADMM COC(=O)c1cc(CN2CC[C@@H](C(=O)[O-])C[C@H]2C)on1 ZINC001598929704 997722751 /nfs/dbraw/zinc/72/27/51/997722751.db2.gz BVUKZSHMPVRMON-RKDXNWHRSA-N -1 1 282.296 1.146 20 0 CDADMM Cc1[nH][nH]c(=O)c1S[C@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC001594114180 998234394 /nfs/dbraw/zinc/23/43/94/998234394.db2.gz SBVZFOIXHJROBE-VXGBXAGGSA-N -1 1 292.360 1.598 20 0 CDADMM Cc1[nH]n([C@H]2CCCC2(C)C)c(=O)c1CC(=O)[O-] ZINC001594114882 998243796 /nfs/dbraw/zinc/24/37/96/998243796.db2.gz OEZIUMCUVIAIIV-ZJUUUORDSA-N -1 1 252.314 1.874 20 0 CDADMM COC[C@H](C)CN(CCC(=O)[O-])CC(=O)OC(C)(C)C ZINC001599161067 998458443 /nfs/dbraw/zinc/45/84/43/998458443.db2.gz VAXLWLPNIPIJEY-LLVKDONJSA-N -1 1 289.372 1.387 20 0 CDADMM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC001594155804 998565079 /nfs/dbraw/zinc/56/50/79/998565079.db2.gz GCIYDKYAVZTADE-HTRCEHHLSA-N -1 1 297.742 1.876 20 0 CDADMM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc(F)cc(F)c1O ZINC001594160157 998595758 /nfs/dbraw/zinc/59/57/58/998595758.db2.gz YMSOHMOSUITVBI-POYBYMJQSA-N -1 1 285.246 1.606 20 0 CDADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(CN(C)C)nc1 ZINC001594160214 998596922 /nfs/dbraw/zinc/59/69/22/998596922.db2.gz ZVRVKNZGOSSFRS-MFKMUULPSA-N -1 1 291.351 1.078 20 0 CDADMM C[C@@H]1CC(O)C[C@@H](C)N1Cc1oncc1C(=O)[O-] ZINC001594265018 999024753 /nfs/dbraw/zinc/02/47/53/999024753.db2.gz DCFGXPAARNQXFR-HTQZYQBOSA-N -1 1 254.286 1.107 20 0 CDADMM CC1CCC(NC(=O)CN[C@@](C)(CCF)C(=O)[O-])CC1 ZINC001594312483 999199517 /nfs/dbraw/zinc/19/95/17/999199517.db2.gz BFUQGYFHDBHVFI-MGULZYLOSA-N -1 1 288.363 1.474 20 0 CDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001594356257 999344844 /nfs/dbraw/zinc/34/48/44/999344844.db2.gz ANVWSQOOKCANNP-GLXFQSAKSA-N -1 1 279.340 1.348 20 0 CDADMM C[C@H]1CCCCN1CC(N)=NOCCCC(=O)[O-] ZINC001594374191 999409301 /nfs/dbraw/zinc/40/93/01/999409301.db2.gz JVDTWMPNJQVWRA-JTQLQIEISA-N -1 1 257.334 1.224 20 0 CDADMM C[C@@H]1CCN(CC(=O)N2CCc3c2cccc3C(=O)[O-])C1 ZINC001594414296 999545165 /nfs/dbraw/zinc/54/51/65/999545165.db2.gz AXHYPEDVDJBNQV-LLVKDONJSA-N -1 1 288.347 1.616 20 0 CDADMM C[C@@H]1CN(C(=O)C[C@@H]2CC=CCC2)CCN1CCC(=O)[O-] ZINC001594467148 999693231 /nfs/dbraw/zinc/69/32/31/999693231.db2.gz ZBASTKAKTIJOLG-ZIAGYGMSSA-N -1 1 294.395 1.740 20 0 CDADMM CSC1(COC(=O)c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001605371614 1163538623 /nfs/dbraw/zinc/53/86/23/1163538623.db2.gz NAWWZQGDWOCOCL-UHFFFAOYSA-N -1 1 291.336 1.314 20 0 CDADMM CSC1(COC(=O)c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001605371614 1163538630 /nfs/dbraw/zinc/53/86/30/1163538630.db2.gz NAWWZQGDWOCOCL-UHFFFAOYSA-N -1 1 291.336 1.314 20 0 CDADMM CSCCCSc1ncncc1-c1nnn[n-]1 ZINC001605374773 1163541206 /nfs/dbraw/zinc/54/12/06/1163541206.db2.gz JEPSHDQUZLFPPZ-UHFFFAOYSA-N -1 1 268.371 1.502 20 0 CDADMM CSCCCSc1ncncc1-c1nn[n-]n1 ZINC001605374773 1163541210 /nfs/dbraw/zinc/54/12/10/1163541210.db2.gz JEPSHDQUZLFPPZ-UHFFFAOYSA-N -1 1 268.371 1.502 20 0 CDADMM Cc1csc(Cn2cc(C)cc(-c3nn[n-]n3)c2=O)n1 ZINC001605511020 1163590774 /nfs/dbraw/zinc/59/07/74/1163590774.db2.gz SGVRRFWVWUCOSM-UHFFFAOYSA-N -1 1 288.336 1.150 20 0 CDADMM O=C(C[C@H]1Oc2ccccc2NC1=O)[N-]OC/C=C\Cl ZINC000812401449 1163619392 /nfs/dbraw/zinc/61/93/92/1163619392.db2.gz KSEXIRKVJRCEAS-ZTYXWKCZSA-N -1 1 296.710 1.577 20 0 CDADMM Cc1ccc(N(C)CCOC(C)(C)C)c(-c2nn[n-]n2)n1 ZINC001605867040 1163698468 /nfs/dbraw/zinc/69/84/68/1163698468.db2.gz YCIJHDSWFQZBGN-UHFFFAOYSA-N -1 1 290.371 1.821 20 0 CDADMM CN(C)C(=O)NCCN(C)[C@H](C(=O)[O-])c1ccccc1F ZINC001606002042 1163740012 /nfs/dbraw/zinc/74/00/12/1163740012.db2.gz MQBJNCQODXHRJY-LBPRGKRZSA-N -1 1 297.330 1.154 20 0 CDADMM Cc1nsc(N2CCC[C@H]2C[C@@H](C)O)c1-c1nn[n-]n1 ZINC001606144779 1163786635 /nfs/dbraw/zinc/78/66/35/1163786635.db2.gz MIHAEBOIAUIYIP-APPZFPTMSA-N -1 1 294.384 1.371 20 0 CDADMM O[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)C1CC1 ZINC001593508180 1174092762 /nfs/dbraw/zinc/09/27/62/1174092762.db2.gz ZGKBVSYLUFRBPT-RXMQYKEDSA-N -1 1 286.748 1.159 20 0 CDADMM O[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)C1CC1 ZINC001593508180 1174092769 /nfs/dbraw/zinc/09/27/69/1174092769.db2.gz ZGKBVSYLUFRBPT-RXMQYKEDSA-N -1 1 286.748 1.159 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1N[C@H]1CCCC2(CC2)C1 ZINC001593594686 1174161770 /nfs/dbraw/zinc/16/17/70/1174161770.db2.gz GBARXWGGKUHOJA-VIFPVBQESA-N -1 1 271.328 1.791 20 0 CDADMM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@@H]2N1Cc1cccc(F)n1 ZINC001594341051 1174182354 /nfs/dbraw/zinc/18/23/54/1174182354.db2.gz RRZJSJOZMHUWHO-IXOXFDKPSA-N -1 1 294.326 1.816 20 0 CDADMM CC(C)CCC[C@@H](NCC(=O)Nc1nccs1)C(=O)[O-] ZINC001573506492 1170677921 /nfs/dbraw/zinc/67/79/21/1170677921.db2.gz QMXITQBHFLMJMU-SNVBAGLBSA-N -1 1 299.396 1.951 20 0 CDADMM CC(C)CCC[C@H](NCC(=O)N(C)C1CC1)C(=O)[O-] ZINC001573506163 1170677156 /nfs/dbraw/zinc/67/71/56/1170677156.db2.gz OVYTYECMIFXXIC-LBPRGKRZSA-N -1 1 270.373 1.476 20 0 CDADMM CCCn1cc(C[N@@H+](CCC)[C@H](CC)C(=O)[O-])nn1 ZINC001573756682 1170756126 /nfs/dbraw/zinc/75/61/26/1170756126.db2.gz CUDKUYMCERYTSO-GFCCVEGCSA-N -1 1 268.361 1.763 20 0 CDADMM CC[C@H]1CN(C(=O)c2cccc(F)c2O)C[C@]1(F)C(=O)[O-] ZINC001573823726 1170788928 /nfs/dbraw/zinc/78/89/28/1170788928.db2.gz CLXURAIJCXQFPZ-RMLUDKJBSA-N -1 1 299.273 1.806 20 0 CDADMM CCn1ncc(CN[C@H](CCOC(C)(C)C)C(=O)[O-])n1 ZINC001573850436 1170805450 /nfs/dbraw/zinc/80/54/50/1170805450.db2.gz JNIVHUIDFCEUES-LLVKDONJSA-N -1 1 284.360 1.046 20 0 CDADMM O=C(C[C@H]1C=CCC1)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000618487566 349470313 /nfs/dbraw/zinc/47/03/13/349470313.db2.gz RYLZNGJTMFGMPL-SMDDNHRTSA-N -1 1 283.335 1.762 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)C2(CCOC)CC2)n1 ZINC000590355983 342538212 /nfs/dbraw/zinc/53/82/12/342538212.db2.gz 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CCC(C)(CC)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000159426731 539114137 /nfs/dbraw/zinc/11/41/37/539114137.db2.gz VKDRCWHSDVNRMG-JTQLQIEISA-N -1 1 265.361 1.732 20 0 CDADMM CCCCOc1ccc(C(=O)NCc2nn[n-]n2)cc1 ZINC000044927201 342276767 /nfs/dbraw/zinc/27/67/67/342276767.db2.gz XTMYVTCTEPYFPS-UHFFFAOYSA-N -1 1 275.312 1.309 20 0 CDADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@]1(O)CCSC1 ZINC000182867994 539143445 /nfs/dbraw/zinc/14/34/45/539143445.db2.gz COWXLCDLNWBSCE-LLVKDONJSA-N -1 1 273.741 1.852 20 0 CDADMM CC(C)c1cccc(O[C@H](C)C(=O)NCc2nn[n-]n2)c1 ZINC000599334823 344021751 /nfs/dbraw/zinc/02/17/51/344021751.db2.gz TZNPDRUUIJIXFQ-SNVBAGLBSA-N -1 1 289.339 1.407 20 0 CDADMM CCCc1nc(=NC[C@@H]2CCCCS2(=O)=O)s[n-]1 ZINC000562274055 293124119 /nfs/dbraw/zinc/12/41/19/293124119.db2.gz TUQTWTBVDSOODG-VIFPVBQESA-N -1 1 289.426 1.292 20 0 CDADMM CCOc1ccc(NC(=O)c2cncc([O-])c2)cc1CO ZINC000111685686 365704937 /nfs/dbraw/zinc/70/49/37/365704937.db2.gz YXIINTWZDNEOOQ-UHFFFAOYSA-N -1 1 288.303 1.931 20 0 CDADMM CC(C)[C@@H]1CCCN(C(=O)CCCc2nn[n-]n2)CC1 ZINC000635569324 362061811 /nfs/dbraw/zinc/06/18/11/362061811.db2.gz SHGAITKDQNWWHZ-GFCCVEGCSA-N -1 1 279.388 1.807 20 0 CDADMM COC(=O)C(C)(C)NC(=O)c1c([O-])cccc1F ZINC000274573129 365716808 /nfs/dbraw/zinc/71/68/08/365716808.db2.gz CLUFHZRCGPYVBG-UHFFFAOYSA-N -1 1 255.245 1.213 20 0 CDADMM O=S(=O)(CCCCF)[N-]c1cccc2[nH]nnc21 ZINC000641689746 365726211 /nfs/dbraw/zinc/72/62/11/365726211.db2.gz SGXAJJVHFQSPFR-UHFFFAOYSA-N -1 1 272.305 1.449 20 0 CDADMM CCC(=O)N1CCCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000080003685 342349390 /nfs/dbraw/zinc/34/93/90/342349390.db2.gz UTZNCSNKFULXEC-UHFFFAOYSA-N -1 1 294.326 1.616 20 0 CDADMM COC[C@@H]([N-]S(=O)(=O)c1ccccn1)c1ccc(C)o1 ZINC000133224946 342357867 /nfs/dbraw/zinc/35/78/67/342357867.db2.gz LIRDJNWMZLWLOP-LLVKDONJSA-N -1 1 296.348 1.649 20 0 CDADMM Cc1ccc([C@@H](C)CNC(=O)CCCc2nn[n-]n2)cc1 ZINC000635587633 362127119 /nfs/dbraw/zinc/12/71/19/362127119.db2.gz DPTVSVXVAGHWDU-LBPRGKRZSA-N -1 1 287.367 1.751 20 0 CDADMM CC[C@H](C)[C@H](NC(=O)c1[nH]nc(C)c1C)C(=O)[O-] ZINC000082243288 342375170 /nfs/dbraw/zinc/37/51/70/342375170.db2.gz WFTAUOSIRYQOCO-RCOVLWMOSA-N -1 1 253.302 1.256 20 0 CDADMM O=S(=O)(CCc1c(F)cccc1Cl)c1nc[n-]n1 ZINC000086169796 342384482 /nfs/dbraw/zinc/38/44/82/342384482.db2.gz PBNOLGPAROMCBR-UHFFFAOYSA-N -1 1 289.719 1.614 20 0 CDADMM CCC(CC)C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000095284896 342431550 /nfs/dbraw/zinc/43/15/50/342431550.db2.gz JCXWNFYYWXFQMK-UHFFFAOYSA-N -1 1 251.334 1.521 20 0 CDADMM Cc1ccoc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000095333520 342431763 /nfs/dbraw/zinc/43/17/63/342431763.db2.gz FQZLLOPHSIEDBS-VIFPVBQESA-N -1 1 261.285 1.121 20 0 CDADMM O=C([O-])[C@H]1C[N@H+]([C@H]2CCCc3ccccc32)CCO1 ZINC000250537576 344046766 /nfs/dbraw/zinc/04/67/66/344046766.db2.gz RMZHRGARGDDAKH-UONOGXRCSA-N -1 1 261.321 1.849 20 0 CDADMM O=C([O-])[C@H]1CN([C@H]2CCCc3ccccc32)CCO1 ZINC000250537576 344046769 /nfs/dbraw/zinc/04/67/69/344046769.db2.gz RMZHRGARGDDAKH-UONOGXRCSA-N -1 1 261.321 1.849 20 0 CDADMM COC(=O)[C@@H](NC(=O)c1cncc([O-])c1)C(C)(C)C ZINC000120339710 344167740 /nfs/dbraw/zinc/16/77/40/344167740.db2.gz SWOTWJKRGKRISG-SNVBAGLBSA-N -1 1 266.297 1.105 20 0 CDADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccc(C)o2)c1 ZINC000601517783 344188001 /nfs/dbraw/zinc/18/80/01/344188001.db2.gz WARIPMUEANXBRS-UHFFFAOYSA-N -1 1 299.304 1.446 20 0 CDADMM O=C(c1ccccn1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332245172 362430625 /nfs/dbraw/zinc/43/06/25/362430625.db2.gz BFTXUFUYPJVNAR-VIFPVBQESA-N -1 1 274.280 1.190 20 0 CDADMM Cc1nc(CC(=O)N(C)C[C@H](C)c2nn[n-]n2)c(C)s1 ZINC000274777505 365801533 /nfs/dbraw/zinc/80/15/33/365801533.db2.gz NHMSQVKYMHMSRV-ZETCQYMHSA-N -1 1 294.384 1.078 20 0 CDADMM Cc1cnc(C(=O)NCC2([C@@H](O)C(C)C)CC2)c([O-])c1 ZINC000332180848 362411226 /nfs/dbraw/zinc/41/12/26/362411226.db2.gz WPTWEEUJYHUOSK-ZDUSSCGKSA-N -1 1 278.352 1.623 20 0 CDADMM CC(C)(C)OC(=O)CCN1CCC(c2n[n-]c(=N)o2)CC1 ZINC000602870300 344640823 /nfs/dbraw/zinc/64/08/23/344640823.db2.gz 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264.325 1.318 20 0 CDADMM O=C([O-])CCCN1CCOC[C@H]1Cc1ccccc1 ZINC000262214221 304048974 /nfs/dbraw/zinc/04/89/74/304048974.db2.gz JIBLQMACOPATPY-CQSZACIVSA-N -1 1 263.337 1.795 20 0 CDADMM COC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000035099962 356004736 /nfs/dbraw/zinc/00/47/36/356004736.db2.gz QDUDTIJNDQWCTL-SNVBAGLBSA-N -1 1 283.711 1.823 20 0 CDADMM C[C@H]1CCc2[n-]n(-c3ncnc4c3cnn4C)c(=O)c21 ZINC000634591311 356474574 /nfs/dbraw/zinc/47/45/74/356474574.db2.gz YKIOUWVAYPLESZ-OIBJUYFYSA-N -1 1 270.296 1.112 20 0 CDADMM CCc1c(=O)n([C@H](C)CO)[n-]c1-c1cccc(OC)c1 ZINC000634617053 356578868 /nfs/dbraw/zinc/57/88/68/356578868.db2.gz DSMQTXABSMCFBA-ZWNOBZJWSA-N -1 1 276.336 1.649 20 0 CDADMM O=S(=O)(CCC1CCOCC1)c1n[n-]c(C2CC2)n1 ZINC000584035409 356835224 /nfs/dbraw/zinc/83/52/24/356835224.db2.gz PGTGXINZLHQDIK-UHFFFAOYSA-N -1 1 285.369 1.273 20 0 CDADMM COC(=O)c1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC000082334639 357068959 /nfs/dbraw/zinc/06/89/59/357068959.db2.gz JBVOWXZCWDTLBY-UHFFFAOYSA-N -1 1 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281.308 1.518 20 0 CDADMM O=C(CCCNC(=O)c1c([O-])cccc1F)NC1CC1 ZINC000119801733 358032026 /nfs/dbraw/zinc/03/20/26/358032026.db2.gz DSLLBFJXRZWFCD-UHFFFAOYSA-N -1 1 280.299 1.320 20 0 CDADMM COCCCN(C)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000080620395 358103016 /nfs/dbraw/zinc/10/30/16/358103016.db2.gz NGUXHPYCLRCQMG-UHFFFAOYSA-N -1 1 295.383 1.484 20 0 CDADMM C[S@](=O)CCC[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000116901608 358110751 /nfs/dbraw/zinc/11/07/51/358110751.db2.gz VRBTYWFSLADVEX-QGZVFWFLSA-N -1 1 297.348 1.012 20 0 CDADMM Cc1cc(=O)[n-]c([C@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)n1 ZINC000192707701 358228034 /nfs/dbraw/zinc/22/80/34/358228034.db2.gz QHWNZBBAIGTQHI-SRVKXCTJSA-N -1 1 265.357 1.644 20 0 CDADMM CO[C@H](C)CS(=O)(=O)[N-]c1cc(C)ccc1F ZINC000193111896 358266039 /nfs/dbraw/zinc/26/60/39/358266039.db2.gz WGBZPKROVSQHOQ-SECBINFHSA-N -1 1 261.318 1.911 20 0 CDADMM CO[C@@H](C)CS(=O)(=O)[N-]c1ccccc1-n1ccnn1 ZINC000193315012 358284794 /nfs/dbraw/zinc/28/47/94/358284794.db2.gz 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C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C\c1ccco1 ZINC000833619978 605105777 /nfs/dbraw/zinc/10/57/77/605105777.db2.gz JPACYWJIKOBHHQ-RXNFCKPNSA-N -1 1 292.335 1.300 20 0 CDADMM C[C@@H]1C[C@H]1N1C[C@H](NCc2ccc(C(=O)[O-])o2)CC1=O ZINC000833604994 605112640 /nfs/dbraw/zinc/11/26/40/605112640.db2.gz LZNLWBIRSAWJMR-FXPVBKGRSA-N -1 1 278.308 1.077 20 0 CDADMM CCCN(C[C@H]1CCCCO1)CN1C[C@@H](C(=O)[O-])CC1=O ZINC000833650892 605173840 /nfs/dbraw/zinc/17/38/40/605173840.db2.gz HGJNJJGZJDXACD-QWHCGFSZSA-N -1 1 298.383 1.158 20 0 CDADMM CC(C)c1cnc(CN2CCN(CCC(=O)[O-])C[C@H]2C)o1 ZINC000833511409 605195232 /nfs/dbraw/zinc/19/52/32/605195232.db2.gz QLHOLTMUMKXTHS-GFCCVEGCSA-N -1 1 295.383 1.779 20 0 CDADMM O=C([O-])[C@H](O)C1CCN(CCc2cccc(F)c2F)CC1 ZINC000833770563 605381790 /nfs/dbraw/zinc/38/17/90/605381790.db2.gz JBLKKCJFXMGKAE-CQSZACIVSA-N -1 1 299.317 1.665 20 0 CDADMM Cc1ncoc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822481629 606197393 /nfs/dbraw/zinc/19/73/93/606197393.db2.gz ACCWRERTHBFEAC-UHFFFAOYSA-N -1 1 286.251 1.121 20 0 CDADMM CCOC(=O)CSc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821334048 606438683 /nfs/dbraw/zinc/43/86/83/606438683.db2.gz GIVDTMIPBTVLML-UHFFFAOYSA-N -1 1 299.743 1.570 20 0 CDADMM CCOC(=O)CSc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821334048 606438684 /nfs/dbraw/zinc/43/86/84/606438684.db2.gz GIVDTMIPBTVLML-UHFFFAOYSA-N -1 1 299.743 1.570 20 0 CDADMM Cc1cc(C)c(CNc2cccc(-c3nnn[n-]3)n2)c(=O)[nH]1 ZINC000822194083 606444240 /nfs/dbraw/zinc/44/42/40/606444240.db2.gz IASCUMROVUOYOW-UHFFFAOYSA-N -1 1 297.322 1.591 20 0 CDADMM Cc1cc(C)c(CNc2cccc(-c3nn[n-]n3)n2)c(=O)[nH]1 ZINC000822194083 606444242 /nfs/dbraw/zinc/44/42/42/606444242.db2.gz IASCUMROVUOYOW-UHFFFAOYSA-N -1 1 297.322 1.591 20 0 CDADMM CC[C@H](O)CCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820933008 606468482 /nfs/dbraw/zinc/46/84/82/606468482.db2.gz SGYRYKKBGFXCTR-QMMMGPOBSA-N -1 1 296.762 1.878 20 0 CDADMM CC[C@H](O)CCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820933008 606468484 /nfs/dbraw/zinc/46/84/84/606468484.db2.gz SGYRYKKBGFXCTR-QMMMGPOBSA-N -1 1 296.762 1.878 20 0 CDADMM O=C(OCc1ccccn1)c1ccc(-c2nnn[n-]2)s1 ZINC000823430176 606488443 /nfs/dbraw/zinc/48/84/43/606488443.db2.gz GIXIDIRGASAHEH-UHFFFAOYSA-N -1 1 287.304 1.680 20 0 CDADMM O=C(OCc1ccccn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823430176 606488445 /nfs/dbraw/zinc/48/84/45/606488445.db2.gz GIXIDIRGASAHEH-UHFFFAOYSA-N -1 1 287.304 1.680 20 0 CDADMM O=C(NCCOCC1CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823211039 606556255 /nfs/dbraw/zinc/55/62/55/606556255.db2.gz KVFNVZXPIBZYCD-UHFFFAOYSA-N -1 1 293.352 1.085 20 0 CDADMM O=C(NCCOCC1CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823211039 606556258 /nfs/dbraw/zinc/55/62/58/606556258.db2.gz KVFNVZXPIBZYCD-UHFFFAOYSA-N -1 1 293.352 1.085 20 0 CDADMM COC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821684851 606570045 /nfs/dbraw/zinc/57/00/45/606570045.db2.gz MHMUEIKXBHDJLI-MRVPVSSYSA-N -1 1 293.352 1.037 20 0 CDADMM COC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821684851 606570047 /nfs/dbraw/zinc/57/00/47/606570047.db2.gz MHMUEIKXBHDJLI-MRVPVSSYSA-N -1 1 293.352 1.037 20 0 CDADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)sn1 ZINC000822209743 606600268 /nfs/dbraw/zinc/60/02/68/606600268.db2.gz UYBBAKFHYWKKGX-UHFFFAOYSA-N -1 1 292.349 1.945 20 0 CDADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)sn1 ZINC000822209743 606600271 /nfs/dbraw/zinc/60/02/71/606600271.db2.gz UYBBAKFHYWKKGX-UHFFFAOYSA-N -1 1 292.349 1.945 20 0 CDADMM O=C(/C=C/C1CC1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822922341 606648092 /nfs/dbraw/zinc/64/80/92/606648092.db2.gz FQFLMUHDYGNACI-ONEGZZNKSA-N -1 1 271.280 1.271 20 0 CDADMM O=C(/C=C/C1CC1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822922341 606648093 /nfs/dbraw/zinc/64/80/93/606648093.db2.gz FQFLMUHDYGNACI-ONEGZZNKSA-N -1 1 271.280 1.271 20 0 CDADMM CC[C@@H](O)CCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820931880 606879674 /nfs/dbraw/zinc/87/96/74/606879674.db2.gz JMYINGHJMUOSAG-SECBINFHSA-N -1 1 299.338 1.383 20 0 CDADMM CC[C@@H](O)CCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820931880 606879675 /nfs/dbraw/zinc/87/96/75/606879675.db2.gz JMYINGHJMUOSAG-SECBINFHSA-N -1 1 299.338 1.383 20 0 CDADMM CC[C@@]1(C)CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000820958434 606949140 /nfs/dbraw/zinc/94/91/40/606949140.db2.gz VEKKOKOSZNBGMI-ZDUSSCGKSA-N -1 1 258.329 1.888 20 0 CDADMM CC[C@@]1(C)CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000820958434 606949142 /nfs/dbraw/zinc/94/91/42/606949142.db2.gz VEKKOKOSZNBGMI-ZDUSSCGKSA-N -1 1 258.329 1.888 20 0 CDADMM Cc1cccc([C@@H](O)CNc2nccnc2-c2nnn[n-]2)c1 ZINC000822288897 607127918 /nfs/dbraw/zinc/12/79/18/607127918.db2.gz MJYAKQGNSTXPNJ-NSHDSACASA-N -1 1 297.322 1.111 20 0 CDADMM Cc1cccc([C@@H](O)CNc2nccnc2-c2nn[n-]n2)c1 ZINC000822288897 607127920 /nfs/dbraw/zinc/12/79/20/607127920.db2.gz MJYAKQGNSTXPNJ-NSHDSACASA-N -1 1 297.322 1.111 20 0 CDADMM Cc1ncccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822471805 607185246 /nfs/dbraw/zinc/18/52/46/607185246.db2.gz KGPLPFOJHCDDGY-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1ncccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822471805 607185247 /nfs/dbraw/zinc/18/52/47/607185247.db2.gz KGPLPFOJHCDDGY-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM CCN(C[C@H]1CCCO1)c1cccc(-c2nnn[n-]2)n1 ZINC000095279678 607896910 /nfs/dbraw/zinc/89/69/10/607896910.db2.gz UGFSPLMPDWOPHN-SNVBAGLBSA-N -1 1 274.328 1.267 20 0 CDADMM CCN(C[C@H]1CCCO1)c1cccc(-c2nn[n-]n2)n1 ZINC000095279678 607896911 /nfs/dbraw/zinc/89/69/11/607896911.db2.gz UGFSPLMPDWOPHN-SNVBAGLBSA-N -1 1 274.328 1.267 20 0 CDADMM CC1(C)CCC[C@@H](C(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000824801329 607928616 /nfs/dbraw/zinc/92/86/16/607928616.db2.gz DLJCTQFRCSNZDR-MRVPVSSYSA-N -1 1 289.343 1.502 20 0 CDADMM O=C([O-])[C@H](CC1CCCCC1)NC(=O)CCc1cnc[nH]1 ZINC000909664072 620696115 /nfs/dbraw/zinc/69/61/15/620696115.db2.gz DKJMIRBXBFJJCP-ZDUSSCGKSA-N -1 1 293.367 1.882 20 0 CDADMM CCOc1ncccc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000825658156 607989155 /nfs/dbraw/zinc/98/91/55/607989155.db2.gz AZAPKXBFKGQQCE-UHFFFAOYSA-N -1 1 298.310 1.063 20 0 CDADMM CCOc1ncccc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000825658156 607989156 /nfs/dbraw/zinc/98/91/56/607989156.db2.gz AZAPKXBFKGQQCE-UHFFFAOYSA-N -1 1 298.310 1.063 20 0 CDADMM CC[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@H]1O ZINC000825211277 608017907 /nfs/dbraw/zinc/01/79/07/608017907.db2.gz LPMKZRVDHQRFHE-VXNVDRBHSA-N -1 1 294.746 1.122 20 0 CDADMM CC[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@H]1O ZINC000825211277 608017908 /nfs/dbraw/zinc/01/79/08/608017908.db2.gz LPMKZRVDHQRFHE-VXNVDRBHSA-N -1 1 294.746 1.122 20 0 CDADMM Cn1ccnc1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000826364153 608182810 /nfs/dbraw/zinc/18/28/10/608182810.db2.gz MPKNPRLRNNNJEK-UHFFFAOYSA-N -1 1 296.747 1.322 20 0 CDADMM Cn1ccnc1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000826364153 608182812 /nfs/dbraw/zinc/18/28/12/608182812.db2.gz MPKNPRLRNNNJEK-UHFFFAOYSA-N -1 1 296.747 1.322 20 0 CDADMM C[C@H](CO)Sc1snc(Cl)c1-c1nnn[n-]1 ZINC000824440646 608187166 /nfs/dbraw/zinc/18/71/66/608187166.db2.gz HTQXKRQPXPXXRV-GSVOUGTGSA-N -1 1 277.762 1.450 20 0 CDADMM C[C@H](CO)Sc1snc(Cl)c1-c1nn[n-]n1 ZINC000824440646 608187167 /nfs/dbraw/zinc/18/71/67/608187167.db2.gz HTQXKRQPXPXXRV-GSVOUGTGSA-N -1 1 277.762 1.450 20 0 CDADMM C[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC000824928440 608388337 /nfs/dbraw/zinc/38/83/37/608388337.db2.gz SLUJFPPCHRJIPO-BBBLOLIVSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC000824928440 608388338 /nfs/dbraw/zinc/38/83/38/608388338.db2.gz SLUJFPPCHRJIPO-BBBLOLIVSA-N -1 1 273.344 1.893 20 0 CDADMM c1cc2c(cc1Nc1ccc(-c3nnn[n-]3)nn1)OCCO2 ZINC000826518382 608389272 /nfs/dbraw/zinc/38/92/72/608389272.db2.gz LLRNFXZBATULKI-UHFFFAOYSA-N -1 1 297.278 1.172 20 0 CDADMM c1cc2c(cc1Nc1ccc(-c3nn[n-]n3)nn1)OCCO2 ZINC000826518382 608389274 /nfs/dbraw/zinc/38/92/74/608389274.db2.gz LLRNFXZBATULKI-UHFFFAOYSA-N -1 1 297.278 1.172 20 0 CDADMM C[C@@H](c1cccnc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824769818 608406422 /nfs/dbraw/zinc/40/64/22/608406422.db2.gz BIGREUQQODLRCK-VIFPVBQESA-N -1 1 282.311 1.249 20 0 CDADMM C[C@@H](c1cccnc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824769818 608406424 /nfs/dbraw/zinc/40/64/24/608406424.db2.gz BIGREUQQODLRCK-VIFPVBQESA-N -1 1 282.311 1.249 20 0 CDADMM CN(C)c1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000825879268 608408131 /nfs/dbraw/zinc/40/81/31/608408131.db2.gz JUCXUIOQIFXTIL-UHFFFAOYSA-N -1 1 296.338 1.335 20 0 CDADMM CN(C)c1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000825879268 608408132 /nfs/dbraw/zinc/40/81/32/608408132.db2.gz JUCXUIOQIFXTIL-UHFFFAOYSA-N -1 1 296.338 1.335 20 0 CDADMM CS[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826226681 608420144 /nfs/dbraw/zinc/42/01/44/608420144.db2.gz DWCMPAKZENZXNR-RKDXNWHRSA-N -1 1 291.384 1.743 20 0 CDADMM CS[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826226681 608420145 /nfs/dbraw/zinc/42/01/45/608420145.db2.gz DWCMPAKZENZXNR-RKDXNWHRSA-N -1 1 291.384 1.743 20 0 CDADMM Cc1cccc(F)c1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826298238 608424603 /nfs/dbraw/zinc/42/46/03/608424603.db2.gz JUNOHAVRANFHPV-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1cccc(F)c1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826298238 608424605 /nfs/dbraw/zinc/42/46/05/608424605.db2.gz JUNOHAVRANFHPV-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1ccc(CC[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)o1 ZINC000826287519 608424760 /nfs/dbraw/zinc/42/47/60/608424760.db2.gz SENQZSNEVJDONS-SECBINFHSA-N -1 1 299.338 1.991 20 0 CDADMM Cc1ccc(CC[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)o1 ZINC000826287519 608424761 /nfs/dbraw/zinc/42/47/61/608424761.db2.gz SENQZSNEVJDONS-SECBINFHSA-N -1 1 299.338 1.991 20 0 CDADMM CC[C@H]1CCC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825194219 608431667 /nfs/dbraw/zinc/43/16/67/608431667.db2.gz PNKHSSLNYHMIDZ-IUCAKERBSA-N -1 1 259.317 1.647 20 0 CDADMM CC[C@H]1CCC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825194219 608431668 /nfs/dbraw/zinc/43/16/68/608431668.db2.gz PNKHSSLNYHMIDZ-IUCAKERBSA-N -1 1 259.317 1.647 20 0 CDADMM CC(C)(CNc1ccc(-c2nnn[n-]2)nn1)c1ccncc1 ZINC000824158369 608553306 /nfs/dbraw/zinc/55/33/06/608553306.db2.gz UQLSHBAXIJHGRB-UHFFFAOYSA-N -1 1 296.338 1.441 20 0 CDADMM CC(C)(CNc1ccc(-c2nn[n-]n2)nn1)c1ccncc1 ZINC000824158369 608553307 /nfs/dbraw/zinc/55/33/07/608553307.db2.gz UQLSHBAXIJHGRB-UHFFFAOYSA-N -1 1 296.338 1.441 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1F ZINC000824947799 609400258 /nfs/dbraw/zinc/40/02/58/609400258.db2.gz RAPGJSYAGYLCHQ-WPRPVWTQSA-N -1 1 290.302 1.082 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1F ZINC000824947799 609400259 /nfs/dbraw/zinc/40/02/59/609400259.db2.gz RAPGJSYAGYLCHQ-WPRPVWTQSA-N -1 1 290.302 1.082 20 0 CDADMM O=C(NC12CCC(CC1)C2)c1ccc(-c2nnn[n-]2)s1 ZINC000826428998 609609915 /nfs/dbraw/zinc/60/99/15/609609915.db2.gz QXIMPYKXOLRELH-UHFFFAOYSA-N -1 1 289.364 1.991 20 0 CDADMM O=C(NC12CCC(CC1)C2)c1ccc(-c2nn[n-]n2)s1 ZINC000826428998 609609917 /nfs/dbraw/zinc/60/99/17/609609917.db2.gz QXIMPYKXOLRELH-UHFFFAOYSA-N -1 1 289.364 1.991 20 0 CDADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1cccnc1F ZINC000806547386 617201740 /nfs/dbraw/zinc/20/17/40/617201740.db2.gz GRFXGABEJUCKRL-NSHDSACASA-N -1 1 298.281 1.253 20 0 CDADMM C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000866853712 617395723 /nfs/dbraw/zinc/39/57/23/617395723.db2.gz ADSIMUDLMLOUQD-YUMQZZPRSA-N -1 1 294.323 1.045 20 0 CDADMM COCc1nc(NCCOC(C)(C)C)cc(=O)[n-]1 ZINC000892131959 617498080 /nfs/dbraw/zinc/49/80/80/617498080.db2.gz SRYXVZGRHPSNSX-UHFFFAOYSA-N -1 1 255.318 1.556 20 0 CDADMM CO[C@H](C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)C1CCC1 ZINC000891612970 617504462 /nfs/dbraw/zinc/50/44/62/617504462.db2.gz FGPKPKRAVNGGLO-LBPRGKRZSA-N -1 1 291.351 1.815 20 0 CDADMM O=C(Cc1cncs1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891617911 617506658 /nfs/dbraw/zinc/50/66/58/617506658.db2.gz MCVDTVNZNXPIPR-UHFFFAOYSA-N -1 1 290.348 1.699 20 0 CDADMM COCc1nc(N2CCS[C@H](C(C)C)C2)cc(=O)[n-]1 ZINC000892732505 617677071 /nfs/dbraw/zinc/67/70/71/617677071.db2.gz RKGCOGVSYGVEIL-JTQLQIEISA-N -1 1 283.397 1.906 20 0 CDADMM CN(CCc1ccccc1)CC(=O)NC1(C(=O)[O-])CCC1 ZINC000909336787 617745092 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/nfs/dbraw/zinc/66/56/55/1163665655.db2.gz RNFZOSPKXDBODF-UHFFFAOYSA-N -1 1 294.351 1.803 20 0 CDADMM Cc1ccc(CCNc2cncc(-c3nnn[n-]3)n2)o1 ZINC001605843078 1163685377 /nfs/dbraw/zinc/68/53/77/1163685377.db2.gz JSUMEGQZHNGMRZ-UHFFFAOYSA-N -1 1 271.284 1.213 20 0 CDADMM Cc1ccc(CCNc2cncc(-c3nn[n-]n3)n2)o1 ZINC001605843078 1163685380 /nfs/dbraw/zinc/68/53/80/1163685380.db2.gz JSUMEGQZHNGMRZ-UHFFFAOYSA-N -1 1 271.284 1.213 20 0 CDADMM Cc1ccc(N(C)CCOC(C)(C)C)c(-c2nnn[n-]2)n1 ZINC001605867040 1163698459 /nfs/dbraw/zinc/69/84/59/1163698459.db2.gz YCIJHDSWFQZBGN-UHFFFAOYSA-N -1 1 290.371 1.821 20 0 CDADMM Cc1ccc(Oc2ccc(-c3nnn[n-]3)nn2)c(Cl)n1 ZINC001605879967 1163704379 /nfs/dbraw/zinc/70/43/79/1163704379.db2.gz ZYDXHOLQRPWJAS-UHFFFAOYSA-N -1 1 289.686 1.806 20 0 CDADMM Cc1ccc(Oc2ccc(-c3nn[n-]n3)nn2)c(Cl)n1 ZINC001605879967 1163704387 /nfs/dbraw/zinc/70/43/87/1163704387.db2.gz ZYDXHOLQRPWJAS-UHFFFAOYSA-N -1 1 289.686 1.806 20 0 CDADMM Cc1ccn(CC2=CCCCC2)c(=O)c1-c1nn[n-]n1 ZINC001605948976 1163723993 /nfs/dbraw/zinc/72/39/93/1163723993.db2.gz KFDAORBQKONEPU-UHFFFAOYSA-N -1 1 271.324 1.837 20 0 CDADMM Cc1ccccc1CN(C)c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001606020421 1163747141 /nfs/dbraw/zinc/74/71/41/1163747141.db2.gz XLUWSMWJZWHYQK-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccccc1CN(C)c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001606020421 1163747147 /nfs/dbraw/zinc/74/71/47/1163747147.db2.gz XLUWSMWJZWHYQK-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1ccoc1 ZINC001606168444 1163796967 /nfs/dbraw/zinc/79/69/67/1163796967.db2.gz HEXDRUWCJQSOFR-UHFFFAOYSA-N -1 1 273.252 1.291 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1ccoc1 ZINC001606168444 1163796979 /nfs/dbraw/zinc/79/69/79/1163796979.db2.gz HEXDRUWCJQSOFR-UHFFFAOYSA-N -1 1 273.252 1.291 20 0 CDADMM CN[C@@H](C)c1cn(Cc2cccc(C(=O)[O-])c2Cl)nn1 ZINC001606296079 1163840708 /nfs/dbraw/zinc/84/07/08/1163840708.db2.gz YKGJIOPCEYQSLZ-QMMMGPOBSA-N -1 1 294.742 1.958 20 0 CDADMM CO[C@](C)(CO)CNCc1ccc(C(=O)[O-])cc1F ZINC001606660269 1163951068 /nfs/dbraw/zinc/95/10/68/1163951068.db2.gz YFPAEZCLSLUAHL-ZDUSSCGKSA-N -1 1 271.288 1.011 20 0 CDADMM CO[C@@H](C)c1noc(CN2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)n1 ZINC001606665395 1163953123 /nfs/dbraw/zinc/95/31/23/1163953123.db2.gz MSUHTMAHXCAFIA-BHDSKKPTSA-N -1 1 295.339 1.464 20 0 CDADMM O=C(NCc1ccc(O)cc1)c1coc(-c2nnn[n-]2)c1 ZINC001606832099 1164006782 /nfs/dbraw/zinc/00/67/82/1164006782.db2.gz BRBYESPEDZPRMG-UHFFFAOYSA-N -1 1 285.263 1.095 20 0 CDADMM O=C(NCc1ccc(O)cc1)c1coc(-c2nn[n-]n2)c1 ZINC001606832099 1164006788 /nfs/dbraw/zinc/00/67/88/1164006788.db2.gz BRBYESPEDZPRMG-UHFFFAOYSA-N -1 1 285.263 1.095 20 0 CDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)C1(F)CCCC1 ZINC001606842622 1164011655 /nfs/dbraw/zinc/01/16/55/1164011655.db2.gz YXTLOEKNURVZNU-UHFFFAOYSA-N -1 1 290.302 1.160 20 0 CDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)C1(F)CCCC1 ZINC001606842622 1164011660 /nfs/dbraw/zinc/01/16/60/1164011660.db2.gz YXTLOEKNURVZNU-UHFFFAOYSA-N -1 1 290.302 1.160 20 0 CDADMM O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccc(-c2nnn[n-]2)o1 ZINC001606875651 1164023854 /nfs/dbraw/zinc/02/38/54/1164023854.db2.gz ADWFCOKARBWMRR-LPEHRKFASA-N -1 1 287.323 1.768 20 0 CDADMM O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccc(-c2nn[n-]n2)o1 ZINC001606875651 1164023859 /nfs/dbraw/zinc/02/38/59/1164023859.db2.gz ADWFCOKARBWMRR-LPEHRKFASA-N -1 1 287.323 1.768 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)NC12CCC(CC1)C2 ZINC001606933877 1164032961 /nfs/dbraw/zinc/03/29/61/1164032961.db2.gz RKQRSMOVQSTVTP-UHFFFAOYSA-N -1 1 299.338 1.716 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)NC12CCC(CC1)C2 ZINC001606933877 1164032968 /nfs/dbraw/zinc/03/29/68/1164032968.db2.gz RKQRSMOVQSTVTP-UHFFFAOYSA-N -1 1 299.338 1.716 20 0 CDADMM O=C(OC[C@]1(F)CCOC1)c1sccc1-c1nn[n-]n1 ZINC001606965934 1164040723 /nfs/dbraw/zinc/04/07/23/1164040723.db2.gz XAAFGFZGPWUWMT-NSHDSACASA-N -1 1 298.299 1.214 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)C1CCCCC1 ZINC001606982606 1164048448 /nfs/dbraw/zinc/04/84/48/1164048448.db2.gz UBGQMQQFJIQINK-UHFFFAOYSA-N -1 1 287.323 1.885 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)C1CCCCC1 ZINC001606982606 1164048452 /nfs/dbraw/zinc/04/84/52/1164048452.db2.gz UBGQMQQFJIQINK-UHFFFAOYSA-N -1 1 287.323 1.885 20 0 CDADMM Oc1cccc(Sc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001607112052 1164090458 /nfs/dbraw/zinc/09/04/58/1164090458.db2.gz RUPKFPYLWBYBJP-UHFFFAOYSA-N -1 1 272.293 1.514 20 0 CDADMM Oc1cccc(Sc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001607112052 1164090464 /nfs/dbraw/zinc/09/04/64/1164090464.db2.gz RUPKFPYLWBYBJP-UHFFFAOYSA-N -1 1 272.293 1.514 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@H]2CCCC3(CC3)C2)n1 ZINC001607133547 1164112066 /nfs/dbraw/zinc/11/20/66/1164112066.db2.gz JVSFNYKZGRGVQA-VIFPVBQESA-N -1 1 271.328 1.791 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@H]2CCCC3(CC3)C2)n1 ZINC001607133547 1164112069 /nfs/dbraw/zinc/11/20/69/1164112069.db2.gz JVSFNYKZGRGVQA-VIFPVBQESA-N -1 1 271.328 1.791 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2C[C@@H](C3CC3)[C@@H]2C2CC2)n1 ZINC001607136616 1164116843 /nfs/dbraw/zinc/11/68/43/1164116843.db2.gz MBOHUDIWAILXRS-GWCFXTLKSA-N -1 1 283.339 1.282 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2C[C@@H](C3CC3)[C@@H]2C2CC2)n1 ZINC001607136616 1164116849 /nfs/dbraw/zinc/11/68/49/1164116849.db2.gz MBOHUDIWAILXRS-GWCFXTLKSA-N -1 1 283.339 1.282 20 0 CDADMM c1nc(NC2CCC3(CC3)CC2)cc(-c2nnn[n-]2)n1 ZINC001607137338 1164116861 /nfs/dbraw/zinc/11/68/61/1164116861.db2.gz QCPAISDIQDMVCS-UHFFFAOYSA-N -1 1 271.328 1.791 20 0 CDADMM c1nc(NC2CCC3(CC3)CC2)cc(-c2nn[n-]n2)n1 ZINC001607137338 1164116867 /nfs/dbraw/zinc/11/68/67/1164116867.db2.gz QCPAISDIQDMVCS-UHFFFAOYSA-N -1 1 271.328 1.791 20 0 CDADMM c1cc(Sc2ncncc2-c2nnn[n-]2)cc2c1OCC2 ZINC001607138485 1164119254 /nfs/dbraw/zinc/11/92/54/1164119254.db2.gz GMNQXXPOOOWLNT-UHFFFAOYSA-N -1 1 298.331 1.743 20 0 CDADMM c1cc(Sc2ncncc2-c2nn[n-]n2)cc2c1OCC2 ZINC001607138485 1164119260 /nfs/dbraw/zinc/11/92/60/1164119260.db2.gz GMNQXXPOOOWLNT-UHFFFAOYSA-N -1 1 298.331 1.743 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NC[C@H]2CCCC23CC3)n1 ZINC001607138951 1164120107 /nfs/dbraw/zinc/12/01/07/1164120107.db2.gz PNOZVPDGPXALFS-SECBINFHSA-N -1 1 271.328 1.649 20 0 CDADMM COc1ccsc1C[N@H+](CCC(=O)[O-])CC(=O)[O-] ZINC001607352663 1164153924 /nfs/dbraw/zinc/15/39/24/1164153924.db2.gz OCNMVZYJMWQBRJ-UHFFFAOYSA-N -1 1 273.310 1.118 20 0 CDADMM COc1ccsc1C[N@@H+](CCC(=O)[O-])CC(=O)[O-] ZINC001607352663 1164153926 /nfs/dbraw/zinc/15/39/26/1164153926.db2.gz OCNMVZYJMWQBRJ-UHFFFAOYSA-N -1 1 273.310 1.118 20 0 CDADMM C[C@@H]1[C@H](O)CCN1Cc1cccc(C(=O)[O-])c1Cl ZINC001607448102 1164184832 /nfs/dbraw/zinc/18/48/32/1164184832.db2.gz JSJACZIOPLGJQZ-LDYMZIIASA-N -1 1 269.728 1.993 20 0 CDADMM Cc1nc[nH]c1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001607499855 1164210367 /nfs/dbraw/zinc/21/03/67/1164210367.db2.gz SKCNYJNPQMUQSE-UHFFFAOYSA-N -1 1 275.264 1.434 20 0 CDADMM Cc1cc([C@H](NCc2cn[nH]c2)C(=O)[O-])ccc1F ZINC001607610902 1164240899 /nfs/dbraw/zinc/24/08/99/1164240899.db2.gz ANHZQYLPUSZRKC-LBPRGKRZSA-N -1 1 263.272 1.773 20 0 CDADMM Cc1cc(CCC(=O)N2CCC(CCC(=O)[O-])CC2)n[nH]1 ZINC001607637917 1164249370 /nfs/dbraw/zinc/24/93/70/1164249370.db2.gz MNLBMFRIIZIJCC-UHFFFAOYSA-N -1 1 293.367 1.754 20 0 CDADMM Cc1cc(NC(=O)[C@H]2CCCN2C(C)C)ncc1C(=O)[O-] ZINC001607678436 1164266420 /nfs/dbraw/zinc/26/64/20/1164266420.db2.gz WHVDNBPBPJJIEB-GFCCVEGCSA-N -1 1 291.351 1.900 20 0 CDADMM Cc1nc(C[S@@](=O)Cc2ccccc2C(=O)[O-])n[nH]1 ZINC001607936165 1164343844 /nfs/dbraw/zinc/34/38/44/1164343844.db2.gz AFRPFTKTGHTPLK-IBGZPJMESA-N -1 1 279.321 1.260 20 0 CDADMM O=C(Nc1[n-]c(=O)nc2nc[nH]c21)[C@@H]1C[C@@H]1c1ccccc1 ZINC001181462193 1164349416 /nfs/dbraw/zinc/34/94/16/1164349416.db2.gz FYXRCTPUXJRRGM-NXEZZACHSA-N -1 1 295.302 1.801 20 0 CDADMM COc1ccnc(C(=O)Nc2ccc3c(c2)OCO3)c1[O-] ZINC001193519654 1164393768 /nfs/dbraw/zinc/39/37/68/1164393768.db2.gz AKGNRZFDGWGJRZ-UHFFFAOYSA-N -1 1 288.259 1.777 20 0 CDADMM Cn1cc(NS(=O)(=O)c2ccsc2)cc1C(=O)[O-] ZINC001608119894 1164415528 /nfs/dbraw/zinc/41/55/28/1164415528.db2.gz LTJCARUTMOXZAP-UHFFFAOYSA-N -1 1 286.334 1.586 20 0 CDADMM Cn1ncnc1CNC[C@H](CC1CCCC1)C(=O)[O-] ZINC001608166290 1164432637 /nfs/dbraw/zinc/43/26/37/1164432637.db2.gz CMSDUFCWAXCNTE-NSHDSACASA-N -1 1 266.345 1.186 20 0 CDADMM N=C1Nc2nc3ccccc3n2[C@@H](c2cc(C(=O)[O-])co2)N1 ZINC001608250448 1164466803 /nfs/dbraw/zinc/46/68/03/1164466803.db2.gz GJXAKNNTAPLQMA-NSHDSACASA-N -1 1 297.274 1.824 20 0 CDADMM O=C(/C=C\C1CCCC1)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001608283118 1164479345 /nfs/dbraw/zinc/47/93/45/1164479345.db2.gz LXOJZELMEMVOAU-FOQNGQEVSA-N -1 1 277.324 1.268 20 0 CDADMM O=C([O-])[C@@H](F)CNC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC001608457867 1164520368 /nfs/dbraw/zinc/52/03/68/1164520368.db2.gz RYFNHRDLFWTIPK-STQMWFEESA-N -1 1 294.326 1.190 20 0 CDADMM O=C([O-])[C@H](Cc1ccc(F)cc1)NC(CF)CF ZINC001608539394 1164537792 /nfs/dbraw/zinc/53/77/92/1164537792.db2.gz ASXCOHHFXZYCKG-NSHDSACASA-N -1 1 261.243 1.719 20 0 CDADMM O=C([O-])[C@]1(F)CCN(Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001608576429 1164552622 /nfs/dbraw/zinc/55/26/22/1164552622.db2.gz YLPASDLHLBIGNN-HNNXBMFYSA-N -1 1 290.294 1.939 20 0 CDADMM O=C([O-])CNC(=O)CNCc1cc(Cl)cc(Cl)c1 ZINC001608752908 1164628448 /nfs/dbraw/zinc/62/84/48/1164628448.db2.gz VXYKTOTVYWACIQ-UHFFFAOYSA-N -1 1 291.134 1.284 20 0 CDADMM O=C([O-])c1ccc2[nH]c(CN3CCC[C@H]3CCO)nc2c1 ZINC001608916495 1164683026 /nfs/dbraw/zinc/68/30/26/1164683026.db2.gz WDUSRWGUKZHXOZ-NSHDSACASA-N -1 1 289.335 1.608 20 0 CDADMM CC(C)(CC(=O)Nc1nnn[n-]1)c1ccc(F)cc1 ZINC000865933766 1164710200 /nfs/dbraw/zinc/71/02/00/1164710200.db2.gz JXOITMNEJKALMV-UHFFFAOYSA-N -1 1 263.276 1.645 20 0 CDADMM CC(C)(CC(=O)Nc1nn[n-]n1)c1ccc(F)cc1 ZINC000865933766 1164710201 /nfs/dbraw/zinc/71/02/01/1164710201.db2.gz JXOITMNEJKALMV-UHFFFAOYSA-N -1 1 263.276 1.645 20 0 CDADMM C[C@H](C(=O)OCc1cccnc1-c1nnn[n-]1)C(C)(F)F ZINC001609072079 1164757798 /nfs/dbraw/zinc/75/77/98/1164757798.db2.gz BKAIIXQRLVHZRQ-SSDOTTSWSA-N -1 1 297.265 1.596 20 0 CDADMM C[C@H](C(=O)OCc1cccnc1-c1nn[n-]n1)C(C)(F)F ZINC001609072079 1164757800 /nfs/dbraw/zinc/75/78/00/1164757800.db2.gz BKAIIXQRLVHZRQ-SSDOTTSWSA-N -1 1 297.265 1.596 20 0 CDADMM CC(C)[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001609091842 1164767851 /nfs/dbraw/zinc/76/78/51/1164767851.db2.gz SXPQAQXYSIAZKS-GFCCVEGCSA-N -1 1 258.329 1.887 20 0 CDADMM CC(C)[C@H]1CCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001609091842 1164767845 /nfs/dbraw/zinc/76/78/45/1164767845.db2.gz SXPQAQXYSIAZKS-GFCCVEGCSA-N -1 1 258.329 1.887 20 0 CDADMM C[C@@H]1Oc2ccccc2[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001609178781 1164819557 /nfs/dbraw/zinc/81/95/57/1164819557.db2.gz DPVWIQPHAJJGJZ-SDBXPKJASA-N -1 1 295.306 1.591 20 0 CDADMM C[C@@H]1Oc2ccccc2[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001609178781 1164819565 /nfs/dbraw/zinc/81/95/65/1164819565.db2.gz DPVWIQPHAJJGJZ-SDBXPKJASA-N -1 1 295.306 1.591 20 0 CDADMM CO[C@H](C)CCC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001609308607 1164887573 /nfs/dbraw/zinc/88/75/73/1164887573.db2.gz PHGUAYNKJPMEEN-ZCFIWIBFSA-N -1 1 296.356 1.385 20 0 CDADMM CO[C@H](C)CCC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001609308607 1164887582 /nfs/dbraw/zinc/88/75/82/1164887582.db2.gz PHGUAYNKJPMEEN-ZCFIWIBFSA-N -1 1 296.356 1.385 20 0 CDADMM CO[C@H](CNC(=O)c1csc(-c2nn[n-]n2)c1)C1CC1 ZINC001609310609 1164890015 /nfs/dbraw/zinc/89/00/15/1164890015.db2.gz KILKJSTXTICNHC-SECBINFHSA-N -1 1 293.352 1.083 20 0 CDADMM CO[C@@H]1CC[C@H](OC(=O)c2csc(-c3nnn[n-]3)c2)C1 ZINC001609313831 1164895636 /nfs/dbraw/zinc/89/56/36/1164895636.db2.gz UXUKKAGZHGRQCU-BDAKNGLRSA-N -1 1 294.336 1.653 20 0 CDADMM CO[C@@H]1CC[C@H](OC(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001609313831 1164895645 /nfs/dbraw/zinc/89/56/45/1164895645.db2.gz UXUKKAGZHGRQCU-BDAKNGLRSA-N -1 1 294.336 1.653 20 0 CDADMM COc1cccnc1NCc1nc(-c2nnn[n-]2)cs1 ZINC001609364964 1164911190 /nfs/dbraw/zinc/91/11/90/1164911190.db2.gz YEWSFSNSRXMCIB-UHFFFAOYSA-N -1 1 289.324 1.339 20 0 CDADMM COc1cccnc1NCc1nc(-c2nn[n-]n2)cs1 ZINC001609364964 1164911192 /nfs/dbraw/zinc/91/11/92/1164911192.db2.gz YEWSFSNSRXMCIB-UHFFFAOYSA-N -1 1 289.324 1.339 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCOC[C@H]2C)n1 ZINC001609392365 1164925988 /nfs/dbraw/zinc/92/59/88/1164925988.db2.gz NQGFJTHFFYJHHN-PSASIEDQSA-N -1 1 289.343 1.050 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCOC[C@H]2C)n1 ZINC001609392365 1164925992 /nfs/dbraw/zinc/92/59/92/1164925992.db2.gz NQGFJTHFFYJHHN-PSASIEDQSA-N -1 1 289.343 1.050 20 0 CDADMM Cc1ccc(N2C[C@H](C)O[C@@H](C)[C@@H]2C)nc1-c1nnn[n-]1 ZINC001609424827 1164941083 /nfs/dbraw/zinc/94/10/83/1164941083.db2.gz KARUQISTEYVVBK-DCAQKATOSA-N -1 1 288.355 1.572 20 0 CDADMM Cc1ccc(N2C[C@H](C)O[C@@H](C)[C@@H]2C)nc1-c1nn[n-]n1 ZINC001609424827 1164941086 /nfs/dbraw/zinc/94/10/86/1164941086.db2.gz KARUQISTEYVVBK-DCAQKATOSA-N -1 1 288.355 1.572 20 0 CDADMM Cc1cccn2c(CNc3n[nH]cc3-c3nn[n-]n3)cnc12 ZINC001609436728 1164944913 /nfs/dbraw/zinc/94/49/13/1164944913.db2.gz KVMRMEWVRLPEGR-UHFFFAOYSA-N -1 1 295.310 1.158 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CCS[C@@H]1C ZINC001609467758 1164964118 /nfs/dbraw/zinc/96/41/18/1164964118.db2.gz SHEPUDRMTFXPPA-APPZFPTMSA-N -1 1 293.352 1.392 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CCS[C@@H]1C ZINC001609467758 1164964122 /nfs/dbraw/zinc/96/41/22/1164964122.db2.gz SHEPUDRMTFXPPA-APPZFPTMSA-N -1 1 293.352 1.392 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C1CC2(CCC2)C1 ZINC001609567106 1164989505 /nfs/dbraw/zinc/98/95/05/1164989505.db2.gz RTBOZZNTANYKIA-UHFFFAOYSA-N -1 1 284.323 1.781 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C1CC2(CCC2)C1 ZINC001609567106 1164989511 /nfs/dbraw/zinc/98/95/11/1164989511.db2.gz RTBOZZNTANYKIA-UHFFFAOYSA-N -1 1 284.323 1.781 20 0 CDADMM c1cc(N[C@H]2CCC[C@@H]3C[C@@H]32)nc(-c2nnn[n-]2)c1 ZINC001609614740 1165010029 /nfs/dbraw/zinc/01/00/29/1165010029.db2.gz KICQVMWNJRIXMN-UTLUCORTSA-N -1 1 256.313 1.862 20 0 CDADMM c1cc(N[C@H]2CCC[C@@H]3C[C@@H]32)nc(-c2nn[n-]n2)c1 ZINC001609614740 1165010034 /nfs/dbraw/zinc/01/00/34/1165010034.db2.gz KICQVMWNJRIXMN-UTLUCORTSA-N -1 1 256.313 1.862 20 0 CDADMM C[C@@H](NCc1ncccn1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001609777509 1165077285 /nfs/dbraw/zinc/07/72/85/1165077285.db2.gz BNPCSPBDTSBDNW-OCCSQVGLSA-N -1 1 285.347 1.898 20 0 CDADMM Cc1cnc(C(=O)N2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)c([O-])c1 ZINC000869823731 1165110156 /nfs/dbraw/zinc/11/01/56/1165110156.db2.gz FWENYCFBILOFLJ-GDLCADMTSA-N -1 1 290.363 1.717 20 0 CDADMM C[C@@H]1CN(CCOc2ccc(C(=O)[O-])cc2Cl)C[C@H]1O ZINC001609875561 1165123903 /nfs/dbraw/zinc/12/39/03/1165123903.db2.gz UXUYERZWIAGDEH-BXKDBHETSA-N -1 1 299.754 1.730 20 0 CDADMM CCCC(C)(C)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001609950380 1165159719 /nfs/dbraw/zinc/15/97/19/1165159719.db2.gz IIKRGHLQCPAHTR-LBPRGKRZSA-N -1 1 284.400 1.820 20 0 CDADMM CCN1CCN(C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)[C@H](C)C1 ZINC001610005659 1165181140 /nfs/dbraw/zinc/18/11/40/1165181140.db2.gz KMEINDPFQTZVTE-SECBINFHSA-N -1 1 293.367 1.496 20 0 CDADMM CN1CCN(C(=O)c2c(F)cccc2F)C[C@H](C(=O)[O-])C1 ZINC001610137093 1165231453 /nfs/dbraw/zinc/23/14/53/1165231453.db2.gz SYEJVGSDHVSESR-SECBINFHSA-N -1 1 298.289 1.053 20 0 CDADMM COc1cc2c(c(CN3CC(C)(C(=O)[O-])C3)c1)O[C@@H](C)C2 ZINC001610307190 1165288325 /nfs/dbraw/zinc/28/83/25/1165288325.db2.gz JSVVGJRYMMRYDK-JTQLQIEISA-N -1 1 291.347 1.925 20 0 CDADMM Cc1c(C(=O)[O-])cc(CN2CCCO[C@H](C)C2)n1C ZINC001610406942 1165310401 /nfs/dbraw/zinc/31/04/01/1165310401.db2.gz FPLYGCLDWQGSQI-SNVBAGLBSA-N -1 1 266.341 1.643 20 0 CDADMM Cc1ccc(C)c(CN(C)[C@@H](C)C(=O)NCC(=O)[O-])c1 ZINC001610496057 1165330045 /nfs/dbraw/zinc/33/00/45/1165330045.db2.gz TYMDDMRUQTVKDO-LBPRGKRZSA-N -1 1 278.352 1.325 20 0 CDADMM O=C(Nc1ccnn1[C@@H]1CCOC1)c1ccc(O)cc1[O-] ZINC000888590628 1165361470 /nfs/dbraw/zinc/36/14/70/1165361470.db2.gz GPIYWCIRPQWNAO-SECBINFHSA-N -1 1 289.291 1.508 20 0 CDADMM COC(=O)c1ccc(-n2[n-]c(C)c(F)c2=O)c(F)c1 ZINC000871958010 1165365265 /nfs/dbraw/zinc/36/52/65/1165365265.db2.gz ARKFRZBJTNHGSG-SNVBAGLBSA-N -1 1 268.219 1.673 20 0 CDADMM CCc1[n-]n(-c2cc(Cl)nc(C)n2)c(=O)c1F ZINC000871956258 1165365348 /nfs/dbraw/zinc/36/53/48/1165365348.db2.gz NACBEULHJFVXGN-SECBINFHSA-N -1 1 256.668 1.889 20 0 CDADMM O=C([O-])c1ccc(CN2CCC[C@@H](n3ccnn3)C2)nc1 ZINC001610826978 1165456443 /nfs/dbraw/zinc/45/64/43/1165456443.db2.gz KBQJJGCKGAWUHX-CYBMUJFWSA-N -1 1 287.323 1.208 20 0 CDADMM O=C([O-])c1cccc(CN2C[C@@H]3C[C@H]2CS3)n1 ZINC001610846123 1165460774 /nfs/dbraw/zinc/46/07/74/1165460774.db2.gz PKNWVZWILSCKOJ-UWVGGRQHSA-N -1 1 250.323 1.470 20 0 CDADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC23CCC3)o1 ZINC000872653091 1165463417 /nfs/dbraw/zinc/46/34/17/1165463417.db2.gz XZMMSKQEZQOTLX-JTQLQIEISA-N -1 1 299.348 1.677 20 0 CDADMM O=C([O-])c1cc(COC(=O)c2ccc3cncn3c2)on1 ZINC001610881838 1165473520 /nfs/dbraw/zinc/47/35/20/1165473520.db2.gz JGABAMKPSJQANM-UHFFFAOYSA-N -1 1 287.231 1.378 20 0 CDADMM O=C(COc1ccccc1F)Nc1c[n-][nH]c1=O ZINC001611374149 1165490763 /nfs/dbraw/zinc/49/07/63/1165490763.db2.gz OBRPTXCXCJLPDZ-UHFFFAOYSA-N -1 1 251.217 1.272 20 0 CDADMM CCO[C@@H](C(=O)N=c1ccnc2n(C)[n-]cc1-2)C1CC1 ZINC000875632869 1165744134 /nfs/dbraw/zinc/74/41/34/1165744134.db2.gz GZXPOWRHXVGSMI-GFCCVEGCSA-N -1 1 274.324 1.095 20 0 CDADMM O=C(Nc1cccc2[nH]c(=O)oc21)c1ccc([O-])cn1 ZINC001625761031 1165924732 /nfs/dbraw/zinc/92/47/32/1165924732.db2.gz AKPJESBSBJYGEB-UHFFFAOYSA-N -1 1 271.232 1.886 20 0 CDADMM CCn1cc(CNC(=O)c2ncc3ccccc3c2[O-])nn1 ZINC001628851613 1166100520 /nfs/dbraw/zinc/10/05/20/1166100520.db2.gz QUTAKODHMAEEGC-UHFFFAOYSA-N -1 1 297.318 1.482 20 0 CDADMM O=C(Nc1cccc(-c2ncco2)c1)c1nnc([O-])[nH]c1=O ZINC001633210507 1166408535 /nfs/dbraw/zinc/40/85/35/1166408535.db2.gz ORMCFPDFJZIBKZ-UHFFFAOYSA-N -1 1 299.246 1.190 20 0 CDADMM CCOC(=O)c1c[nH]c(NC(=O)c2cc(C)co2)n1 ZINC000879879554 1166420119 /nfs/dbraw/zinc/42/01/19/1166420119.db2.gz GLQRMWYEUOIREB-UHFFFAOYSA-N -1 1 263.253 1.740 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(C)co2)n1 ZINC000879879554 1166420122 /nfs/dbraw/zinc/42/01/22/1166420122.db2.gz GLQRMWYEUOIREB-UHFFFAOYSA-N -1 1 263.253 1.740 20 0 CDADMM COCC1(C[N-]S(=O)(=O)c2ccns2)CCC1 ZINC000885167204 1166516562 /nfs/dbraw/zinc/51/65/62/1166516562.db2.gz QFLDXNZNKOZDKQ-UHFFFAOYSA-N -1 1 276.383 1.238 20 0 CDADMM Clc1cccc(Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000095221089 1166609884 /nfs/dbraw/zinc/60/98/84/1166609884.db2.gz CYNPABPAVDVAMA-UHFFFAOYSA-N -1 1 261.676 1.160 20 0 CDADMM Clc1ccc(Cn2cnc(-c3nn[n-]n3)n2)s1 ZINC000095236051 1166610503 /nfs/dbraw/zinc/61/05/03/1166610503.db2.gz XXQGKKKCDWYOQK-UHFFFAOYSA-N -1 1 267.705 1.221 20 0 CDADMM Cc1cc(Nc2cnc(-c3nnn[n-]3)cn2)ccc1F ZINC000095320174 1166620991 /nfs/dbraw/zinc/62/09/91/1166620991.db2.gz FCJGAJHUXLLJSA-UHFFFAOYSA-N -1 1 271.259 1.848 20 0 CDADMM Cc1cc(Nc2cnc(-c3nn[n-]n3)cn2)ccc1F ZINC000095320174 1166620995 /nfs/dbraw/zinc/62/09/95/1166620995.db2.gz FCJGAJHUXLLJSA-UHFFFAOYSA-N -1 1 271.259 1.848 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)COc1ccsc1 ZINC001636801090 1166698926 /nfs/dbraw/zinc/69/89/26/1166698926.db2.gz ANKBXALHSMFPFY-UHFFFAOYSA-N -1 1 253.283 1.503 20 0 CDADMM O=C([N-]C1=NCCS1)[C@H](F)Cc1ccccc1 ZINC000777929378 1166766727 /nfs/dbraw/zinc/76/67/27/1166766727.db2.gz BFIFSZXTQOGORE-SNVBAGLBSA-N -1 1 252.314 1.786 20 0 CDADMM C[C@@H]1C[C@@H](CNC(=O)c2ccc([O-])cn2)[C@H](C)O1 ZINC001638208246 1166829768 /nfs/dbraw/zinc/82/97/68/1166829768.db2.gz QTCJVVXXKKQIRG-UTLUCORTSA-N -1 1 250.298 1.331 20 0 CDADMM O=C([N-]n1ccccc1=O)c1c[nH]nc1-c1ccccc1F ZINC001638526809 1166853635 /nfs/dbraw/zinc/85/36/35/1166853635.db2.gz QVPMFRMXLFONIP-UHFFFAOYSA-N -1 1 298.277 1.761 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2cccc3cnncc32)c1[O-] ZINC001638581315 1166856791 /nfs/dbraw/zinc/85/67/91/1166856791.db2.gz BTKIBQIPWXFCQN-UHFFFAOYSA-N -1 1 269.264 1.619 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1c[nH]c2cc(=O)ccc-2c1 ZINC001641720814 1167132314 /nfs/dbraw/zinc/13/23/14/1167132314.db2.gz XKPXAYUHMOBUGA-UHFFFAOYSA-N -1 1 284.275 1.930 20 0 CDADMM Cc1c(NC(=O)c2ccc3ccc(O)cc3c2[O-])nnn1C ZINC001642621872 1167185922 /nfs/dbraw/zinc/18/59/22/1167185922.db2.gz CODYOWZXXBVHMF-UHFFFAOYSA-N -1 1 298.302 1.940 20 0 CDADMM CSc1nc(CNC(=O)[C@@]2(C)CC(C)=NO2)cc(=O)[n-]1 ZINC001646605175 1167970727 /nfs/dbraw/zinc/97/07/27/1167970727.db2.gz SLYGAWUUJQDRBZ-GFCCVEGCSA-N -1 1 296.352 1.075 20 0 CDADMM Cn1cnc(CNC(=O)c2ccc3ccc(O)cc3c2[O-])n1 ZINC001566431317 1168269534 /nfs/dbraw/zinc/26/95/34/1168269534.db2.gz GUIRUFMRIQBJPA-UHFFFAOYSA-N -1 1 298.302 1.310 20 0 CDADMM CC[C@H](CO)[N-]S(=O)(=O)c1c(F)cc(F)cc1OC ZINC001647128910 1168395236 /nfs/dbraw/zinc/39/52/36/1168395236.db2.gz USGOSGHPMAMCIR-MRVPVSSYSA-N -1 1 295.307 1.023 20 0 CDADMM CC(C)OC(=O)C(C)(C)NC(=O)c1cc(F)ccc1[O-] ZINC001647467299 1168734750 /nfs/dbraw/zinc/73/47/50/1168734750.db2.gz AQFFZOJMELKSFH-UHFFFAOYSA-N -1 1 283.299 1.991 20 0 CDADMM Cn1cncc1CCNC(=O)c1ncc2ccccc2c1[O-] ZINC001567516742 1168826405 /nfs/dbraw/zinc/82/64/05/1168826405.db2.gz DFWINICNKCMCEG-UHFFFAOYSA-N -1 1 296.330 1.646 20 0 CDADMM O=C(c1ncc2ccccc2c1[O-])N1CCn2ncnc2C1 ZINC001567842203 1169008527 /nfs/dbraw/zinc/00/85/27/1169008527.db2.gz RGPGETORLYLSOV-UHFFFAOYSA-N -1 1 295.302 1.188 20 0 CDADMM CC[C@@H](C)n1nccc1C(=O)Nc1ccncc1[O-] ZINC001648541698 1169137692 /nfs/dbraw/zinc/13/76/92/1169137692.db2.gz KMSOQFZAYMCMCD-SECBINFHSA-N -1 1 260.297 1.629 20 0 CDADMM CSc1nc(C)c(CCC(=O)OCC2COC2)c(=O)[n-]1 ZINC001649267318 1169162140 /nfs/dbraw/zinc/16/21/40/1169162140.db2.gz SSXMTVKTHOIDTC-UHFFFAOYSA-N -1 1 298.364 1.335 20 0 CDADMM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1[nH]ncc1F ZINC001574172446 1170904890 /nfs/dbraw/zinc/90/48/90/1170904890.db2.gz IBNYPBCSELZZBE-NSHDSACASA-N -1 1 291.282 1.803 20 0 CDADMM CC(C)OCCC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001574331549 1170949672 /nfs/dbraw/zinc/94/96/72/1170949672.db2.gz LJVOCAZRNFATFO-UHFFFAOYSA-N -1 1 295.368 1.360 20 0 CDADMM CCNc1cc(CNc2ccc(-c3nn[n-]n3)nn2)ccn1 ZINC001578239581 1171845949 /nfs/dbraw/zinc/84/59/49/1171845949.db2.gz KNJGRYAJXKRGJN-UHFFFAOYSA-N -1 1 297.326 1.096 20 0 CDADMM CCc1ncc(NC(=O)c2coc(-c3nnn[n-]3)c2)cn1 ZINC001578685886 1171981298 /nfs/dbraw/zinc/98/12/98/1171981298.db2.gz BIROELXMBYGQEU-UHFFFAOYSA-N -1 1 285.267 1.064 20 0 CDADMM CCc1ncc(NC(=O)c2coc(-c3nn[n-]n3)c2)cn1 ZINC001578685886 1171981304 /nfs/dbraw/zinc/98/13/04/1171981304.db2.gz BIROELXMBYGQEU-UHFFFAOYSA-N -1 1 285.267 1.064 20 0 CDADMM CCn1cc([C@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccn2)cn1 ZINC001578753718 1171995084 /nfs/dbraw/zinc/99/50/84/1171995084.db2.gz NUTLABWRNKOWOO-JTQLQIEISA-N -1 1 298.354 1.329 20 0 CDADMM CC(C)(C)c1coc(Cn2ccnc2-c2nnn[n-]2)n1 ZINC001589234332 1173130722 /nfs/dbraw/zinc/13/07/22/1173130722.db2.gz OJXPFCRRVRZIIP-UHFFFAOYSA-N -1 1 273.300 1.397 20 0 CDADMM CC(C)(C)c1coc(Cn2ccnc2-c2nn[n-]n2)n1 ZINC001589234332 1173130727 /nfs/dbraw/zinc/13/07/27/1173130727.db2.gz OJXPFCRRVRZIIP-UHFFFAOYSA-N -1 1 273.300 1.397 20 0 CDADMM CC(C)(CNc1nccnc1-c1nnn[n-]1)c1ccccn1 ZINC001589292893 1173135380 /nfs/dbraw/zinc/13/53/80/1173135380.db2.gz ZKWPWGWALZFJNI-UHFFFAOYSA-N -1 1 296.338 1.441 20 0 CDADMM CC(C)(CNc1nccnc1-c1nn[n-]n1)c1ccccn1 ZINC001589292893 1173135386 /nfs/dbraw/zinc/13/53/86/1173135386.db2.gz ZKWPWGWALZFJNI-UHFFFAOYSA-N -1 1 296.338 1.441 20 0 CDADMM CC(C)(O)[C@@H]1CCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001589328881 1173137582 /nfs/dbraw/zinc/13/75/82/1173137582.db2.gz XHBRXXHSGWYXTP-NSHDSACASA-N -1 1 274.328 1.001 20 0 CDADMM CC(C)(O)[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001589328881 1173137586 /nfs/dbraw/zinc/13/75/86/1173137586.db2.gz XHBRXXHSGWYXTP-NSHDSACASA-N -1 1 274.328 1.001 20 0 CDADMM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001589503320 1173150079 /nfs/dbraw/zinc/15/00/79/1173150079.db2.gz RAMJTEXFUAUQDC-UWVGGRQHSA-N -1 1 287.323 1.803 20 0 CDADMM CC(C)CC[C@@H](C)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001589588231 1173160180 /nfs/dbraw/zinc/16/01/80/1173160180.db2.gz MBNKLEWLIXVNEI-SECBINFHSA-N -1 1 261.333 1.893 20 0 CDADMM C[C@H](NC(=O)c1ccsc1-c1nnn[n-]1)[C@@H]1CCOC1 ZINC001589948425 1173208935 /nfs/dbraw/zinc/20/89/35/1173208935.db2.gz BSSPOVNCGXVLBP-JGVFFNPUSA-N -1 1 293.352 1.083 20 0 CDADMM C[C@H](NC(=O)c1ccsc1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC001589948425 1173208939 /nfs/dbraw/zinc/20/89/39/1173208939.db2.gz BSSPOVNCGXVLBP-JGVFFNPUSA-N -1 1 293.352 1.083 20 0 CDADMM C[C@H](O)[C@H](C)n1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001589997636 1173227348 /nfs/dbraw/zinc/22/73/48/1173227348.db2.gz UFOGFWSNJSIYMJ-IUCAKERBSA-N -1 1 285.307 1.123 20 0 CDADMM C[C@H](O)C[C@H](C)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589998754 1173231668 /nfs/dbraw/zinc/23/16/68/1173231668.db2.gz RSVJATNBZKXPPS-YUMQZZPRSA-N -1 1 289.343 1.105 20 0 CDADMM C[C@H](O)C[C@H](C)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589998754 1173231680 /nfs/dbraw/zinc/23/16/80/1173231680.db2.gz RSVJATNBZKXPPS-YUMQZZPRSA-N -1 1 289.343 1.105 20 0 CDADMM CC1(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CCC1 ZINC001590068770 1173243131 /nfs/dbraw/zinc/24/31/31/1173243131.db2.gz PMCLTNFZIGLIOS-UHFFFAOYSA-N -1 1 277.353 1.735 20 0 CDADMM CC1=C[C@H](C)CN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590157032 1173276409 /nfs/dbraw/zinc/27/64/09/1173276409.db2.gz KMPZVWVRKLPCLN-VIFPVBQESA-N -1 1 256.313 1.664 20 0 CDADMM CC1=C[C@H](C)CN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590157032 1173276413 /nfs/dbraw/zinc/27/64/13/1173276413.db2.gz KMPZVWVRKLPCLN-VIFPVBQESA-N -1 1 256.313 1.664 20 0 CDADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001590216895 1173295717 /nfs/dbraw/zinc/29/57/17/1173295717.db2.gz BBEIDASLYXLUQU-APHKKCJPSA-N -1 1 299.334 1.803 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)OCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001590227223 1173304655 /nfs/dbraw/zinc/30/46/55/1173304655.db2.gz XSIHPSOGYLBDAM-SFYZADRCSA-N -1 1 293.352 1.803 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)OCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001590227223 1173304662 /nfs/dbraw/zinc/30/46/62/1173304662.db2.gz XSIHPSOGYLBDAM-SFYZADRCSA-N -1 1 293.352 1.803 20 0 CDADMM C[C@H]1CC[C@H]1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590242243 1173314313 /nfs/dbraw/zinc/31/43/13/1173314313.db2.gz URWUXERXSHQKAB-OIBJUYFYSA-N -1 1 275.287 1.534 20 0 CDADMM C[C@H]1CC[C@H]1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590242243 1173314320 /nfs/dbraw/zinc/31/43/20/1173314320.db2.gz URWUXERXSHQKAB-OIBJUYFYSA-N -1 1 275.287 1.534 20 0 CDADMM C[C@@H]1[C@@H](C)CN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001590321463 1173353770 /nfs/dbraw/zinc/35/37/70/1173353770.db2.gz VJQNGOJEJNRVJJ-CRCLSJGQSA-N -1 1 270.749 1.821 20 0 CDADMM C[C@@H]1[C@@H](C)CN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001590321463 1173353777 /nfs/dbraw/zinc/35/37/77/1173353777.db2.gz VJQNGOJEJNRVJJ-CRCLSJGQSA-N -1 1 270.749 1.821 20 0 CDADMM C/C=C\COC(=O)c1sccc1-c1nn[n-]n1 ZINC001590354441 1173370060 /nfs/dbraw/zinc/37/00/60/1173370060.db2.gz LTVDXCAEZLSGTP-IHWYPQMZSA-N -1 1 250.283 1.661 20 0 CDADMM CC[C@H](C)OCC(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001590416976 1173401495 /nfs/dbraw/zinc/40/14/95/1173401495.db2.gz RIJHHLGGAGETQI-QMMMGPOBSA-N -1 1 280.284 1.318 20 0 CDADMM CC[C@H](C)OCC(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001590416976 1173401500 /nfs/dbraw/zinc/40/15/00/1173401500.db2.gz RIJHHLGGAGETQI-QMMMGPOBSA-N -1 1 280.284 1.318 20 0 CDADMM CC[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001590513705 1173443054 /nfs/dbraw/zinc/44/30/54/1173443054.db2.gz WMQPQANMGVWSPC-SNVBAGLBSA-N -1 1 273.344 1.673 20 0 CDADMM CC[C@@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001590513705 1173443055 /nfs/dbraw/zinc/44/30/55/1173443055.db2.gz WMQPQANMGVWSPC-SNVBAGLBSA-N -1 1 273.344 1.673 20 0 CDADMM CC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)[C@@H](CC)CO1 ZINC001590519517 1173447186 /nfs/dbraw/zinc/44/71/86/1173447186.db2.gz AKNRXYUXERYMNC-UWVGGRQHSA-N -1 1 289.343 1.051 20 0 CDADMM CC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)[C@@H](CC)CO1 ZINC001590519517 1173447190 /nfs/dbraw/zinc/44/71/90/1173447190.db2.gz AKNRXYUXERYMNC-UWVGGRQHSA-N -1 1 289.343 1.051 20 0 CDADMM CCC=CCNc1ccc(C(=O)OC)nc1-c1nnn[n-]1 ZINC001590530333 1173454564 /nfs/dbraw/zinc/45/45/64/1173454564.db2.gz BYAYZSIUAXMGIC-PLNGDYQASA-N -1 1 288.311 1.426 20 0 CDADMM CCC=CCNc1ccc(C(=O)OC)nc1-c1nn[n-]n1 ZINC001590530333 1173454568 /nfs/dbraw/zinc/45/45/68/1173454568.db2.gz BYAYZSIUAXMGIC-PLNGDYQASA-N -1 1 288.311 1.426 20 0 CDADMM CCC[C@@H](O)CCNc1ccnc(-c2nnn[n-]2)c1 ZINC001590560144 1173464274 /nfs/dbraw/zinc/46/42/74/1173464274.db2.gz MIICRUWCEKHVRN-SNVBAGLBSA-N -1 1 262.317 1.225 20 0 CDADMM CCC[C@@H](O)CCNc1ccnc(-c2nn[n-]n2)c1 ZINC001590560144 1173464277 /nfs/dbraw/zinc/46/42/77/1173464277.db2.gz MIICRUWCEKHVRN-SNVBAGLBSA-N -1 1 262.317 1.225 20 0 CDADMM CCCCC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001590573556 1173465606 /nfs/dbraw/zinc/46/56/06/1173465606.db2.gz ZOWLEZQPZOGPJU-UHFFFAOYSA-N -1 1 260.301 1.068 20 0 CDADMM CCCCC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001590573556 1173465609 /nfs/dbraw/zinc/46/56/09/1173465609.db2.gz ZOWLEZQPZOGPJU-UHFFFAOYSA-N -1 1 260.301 1.068 20 0 CDADMM CCC[C@@H]1C[C@H]1C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001590652370 1173485243 /nfs/dbraw/zinc/48/52/43/1173485243.db2.gz QAUDASGWQVOZAR-MWLCHTKSSA-N -1 1 286.339 1.661 20 0 CDADMM CCC[C@@H]1C[C@H]1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001590652370 1173485247 /nfs/dbraw/zinc/48/52/47/1173485247.db2.gz QAUDASGWQVOZAR-MWLCHTKSSA-N -1 1 286.339 1.661 20 0 CDADMM CCO[C@@H](Cn1ccc(C)c(-c2nn[n-]n2)c1=O)C1CC1 ZINC001590786080 1173511761 /nfs/dbraw/zinc/51/17/61/1173511761.db2.gz ZPKCVPGIIDQXJN-NSHDSACASA-N -1 1 289.339 1.152 20 0 CDADMM CCc1ccccc1C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001590896707 1173535934 /nfs/dbraw/zinc/53/59/34/1173535934.db2.gz RRBTYMTYUACMHH-UHFFFAOYSA-N -1 1 283.295 1.405 20 0 CDADMM CCn1ccnc1CNc1ccc(C)nc1-c1nnn[n-]1 ZINC001590961956 1173552429 /nfs/dbraw/zinc/55/24/29/1173552429.db2.gz IYLDQRUSEFHMKU-UHFFFAOYSA-N -1 1 284.327 1.399 20 0 CDADMM CCn1ccnc1CNc1ccc(C)nc1-c1nn[n-]n1 ZINC001590961956 1173552433 /nfs/dbraw/zinc/55/24/33/1173552433.db2.gz IYLDQRUSEFHMKU-UHFFFAOYSA-N -1 1 284.327 1.399 20 0 CDADMM CN(C(=O)c1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001590995094 1173558337 /nfs/dbraw/zinc/55/83/37/1173558337.db2.gz QHIYUBUGZHRJDA-UHFFFAOYSA-N -1 1 280.291 1.538 20 0 CDADMM CN(C(=O)c1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001590995094 1173558342 /nfs/dbraw/zinc/55/83/42/1173558342.db2.gz QHIYUBUGZHRJDA-UHFFFAOYSA-N -1 1 280.291 1.538 20 0 CDADMM CNc1ccc(Nc2nc(C)cc(-c3nn[n-]n3)n2)cn1 ZINC001591224342 1173593318 /nfs/dbraw/zinc/59/33/18/1173593318.db2.gz YULIALQQEBBPNC-UHFFFAOYSA-N -1 1 283.299 1.145 20 0 CDADMM COC1(CCNc2ccc(C)nc2-c2nnn[n-]2)CCC1 ZINC001591341049 1173619767 /nfs/dbraw/zinc/61/97/67/1173619767.db2.gz JXBUVPKYBHTKBF-UHFFFAOYSA-N -1 1 288.355 1.941 20 0 CDADMM COC1(CCNc2ccc(C)nc2-c2nn[n-]n2)CCC1 ZINC001591341049 1173619770 /nfs/dbraw/zinc/61/97/70/1173619770.db2.gz JXBUVPKYBHTKBF-UHFFFAOYSA-N -1 1 288.355 1.941 20 0 CDADMM CO[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCC2 ZINC001591350259 1173623099 /nfs/dbraw/zinc/62/30/99/1173623099.db2.gz QJZJICGBCXCDEL-UWVGGRQHSA-N -1 1 287.327 1.026 20 0 CDADMM CO[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCC2 ZINC001591350259 1173623102 /nfs/dbraw/zinc/62/31/02/1173623102.db2.gz QJZJICGBCXCDEL-UWVGGRQHSA-N -1 1 287.327 1.026 20 0 CDADMM COCc1nnc(-c2ccc(-c3nnn[n-]3)s2)o1 ZINC001591461256 1173654261 /nfs/dbraw/zinc/65/42/61/1173654261.db2.gz ATJWKJWOIULTHY-UHFFFAOYSA-N -1 1 264.270 1.125 20 0 CDADMM COc1ccccc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591650727 1173675580 /nfs/dbraw/zinc/67/55/80/1173675580.db2.gz JENCBKOHQIFMBE-UHFFFAOYSA-N -1 1 285.263 1.721 20 0 CDADMM COc1ccccc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591650727 1173675583 /nfs/dbraw/zinc/67/55/83/1173675583.db2.gz JENCBKOHQIFMBE-UHFFFAOYSA-N -1 1 285.263 1.721 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](CF)C2)n1 ZINC001591889640 1173739351 /nfs/dbraw/zinc/73/93/51/1173739351.db2.gz WXGLWZUHTGVOAD-VIFPVBQESA-N -1 1 277.307 1.151 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](CF)C2)n1 ZINC001591889640 1173739356 /nfs/dbraw/zinc/73/93/56/1173739356.db2.gz WXGLWZUHTGVOAD-VIFPVBQESA-N -1 1 277.307 1.151 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCCc2cscn2)n1 ZINC001591899818 1173744673 /nfs/dbraw/zinc/74/46/73/1173744673.db2.gz ZOTCNURMTHXRKQ-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCCc2cscn2)n1 ZINC001591899818 1173744676 /nfs/dbraw/zinc/74/46/76/1173744676.db2.gz ZOTCNURMTHXRKQ-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM Cc1cc(CSc2cncc(-c3nnn[n-]3)n2)no1 ZINC001591972545 1173762880 /nfs/dbraw/zinc/76/28/80/1173762880.db2.gz IQQFLQCKIFOIGK-UHFFFAOYSA-N -1 1 275.297 1.245 20 0 CDADMM Cc1cc(CSc2cncc(-c3nn[n-]n3)n2)no1 ZINC001591972545 1173762887 /nfs/dbraw/zinc/76/28/87/1173762887.db2.gz IQQFLQCKIFOIGK-UHFFFAOYSA-N -1 1 275.297 1.245 20 0 CDADMM Cc1cc(N[C@@H]2C[C@@H]3CCC[C@H]23)cc(-c2nnn[n-]2)n1 ZINC001592036384 1173779509 /nfs/dbraw/zinc/77/95/09/1173779509.db2.gz LGXMAICUCHJPOS-ZMLRMANQSA-N -1 1 270.340 1.593 20 0 CDADMM Cc1cc(N[C@@H]2C[C@@H]3CCC[C@H]23)cc(-c2nn[n-]n2)n1 ZINC001592036384 1173779517 /nfs/dbraw/zinc/77/95/17/1173779517.db2.gz LGXMAICUCHJPOS-ZMLRMANQSA-N -1 1 270.340 1.593 20 0 CDADMM Cc1cc(NCc2ccccc2CO)cc(-c2nnn[n-]2)n1 ZINC001592053068 1173789771 /nfs/dbraw/zinc/78/97/71/1173789771.db2.gz JZPYJNIRYRJXGI-UHFFFAOYSA-N -1 1 296.334 1.675 20 0 CDADMM Cc1cc(NCc2ccccc2CO)cc(-c2nn[n-]n2)n1 ZINC001592053068 1173789774 /nfs/dbraw/zinc/78/97/74/1173789774.db2.gz JZPYJNIRYRJXGI-UHFFFAOYSA-N -1 1 296.334 1.675 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC(F)(F)CC1 ZINC001592110076 1173803183 /nfs/dbraw/zinc/80/31/83/1173803183.db2.gz JKAWBTCNLVCJPK-UHFFFAOYSA-N -1 1 280.282 1.806 20 0 CDADMM Cc1ccc(CNc2n[nH]cc2-c2nnn[n-]2)c(F)c1 ZINC001592166383 1173820435 /nfs/dbraw/zinc/82/04/35/1173820435.db2.gz IXTHMAGLYJYUGJ-UHFFFAOYSA-N -1 1 273.275 1.649 20 0 CDADMM Cc1ccc(CNc2n[nH]cc2-c2nn[n-]n2)c(F)c1 ZINC001592166383 1173820440 /nfs/dbraw/zinc/82/04/40/1173820440.db2.gz IXTHMAGLYJYUGJ-UHFFFAOYSA-N -1 1 273.275 1.649 20 0 CDADMM Cc1ccc(N2C[C@@H](C)[C@](C)(CO)C2)nc1-c1nnn[n-]1 ZINC001592174417 1173822155 /nfs/dbraw/zinc/82/21/55/1173822155.db2.gz DKNBZNFPIJKBNP-YGRLFVJLSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(N2C[C@@H](C)[C@](C)(CO)C2)nc1-c1nn[n-]n1 ZINC001592174417 1173822163 /nfs/dbraw/zinc/82/21/63/1173822163.db2.gz DKNBZNFPIJKBNP-YGRLFVJLSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(N(C)CCC2CC2)c(-c2nnn[n-]2)n1 ZINC001592175232 1173822447 /nfs/dbraw/zinc/82/24/47/1173822447.db2.gz KBVWICYTCMCBBY-UHFFFAOYSA-N -1 1 258.329 1.806 20 0 CDADMM Cc1ccc(N(C)CCC2CC2)c(-c2nn[n-]n2)n1 ZINC001592175232 1173822451 /nfs/dbraw/zinc/82/24/51/1173822451.db2.gz KBVWICYTCMCBBY-UHFFFAOYSA-N -1 1 258.329 1.806 20 0 CDADMM Cc1ccc(N(C)C(=O)c2ccnc(-c3nnn[n-]3)c2)nc1 ZINC001592176507 1173823087 /nfs/dbraw/zinc/82/30/87/1173823087.db2.gz RKTZSAUUQXEJLO-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM Cc1ccc(N(C)C(=O)c2ccnc(-c3nn[n-]n3)c2)nc1 ZINC001592176507 1173823090 /nfs/dbraw/zinc/82/30/90/1173823090.db2.gz RKTZSAUUQXEJLO-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM Cc1nn(C)c(C)c1CNc1ccc(C)nc1-c1nnn[n-]1 ZINC001592184287 1173828488 /nfs/dbraw/zinc/82/84/88/1173828488.db2.gz FMKZOEGDDRLCMG-UHFFFAOYSA-N -1 1 298.354 1.533 20 0 CDADMM Cc1nn(C)c(C)c1CNc1ccc(C)nc1-c1nn[n-]n1 ZINC001592184287 1173828494 /nfs/dbraw/zinc/82/84/94/1173828494.db2.gz FMKZOEGDDRLCMG-UHFFFAOYSA-N -1 1 298.354 1.533 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@H](C)O[C@H]2C)c(-c2nnn[n-]2)n1 ZINC001592183874 1173829636 /nfs/dbraw/zinc/82/96/36/1173829636.db2.gz LMVQXYRLMUKJHA-ATZCPNFKSA-N -1 1 274.328 1.548 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@H](C)O[C@H]2C)c(-c2nn[n-]n2)n1 ZINC001592183874 1173829642 /nfs/dbraw/zinc/82/96/42/1173829642.db2.gz LMVQXYRLMUKJHA-ATZCPNFKSA-N -1 1 274.328 1.548 20 0 CDADMM Cc1cccc(C)c1CCNc1cc(-c2nnn[n-]2)ncn1 ZINC001592224287 1173834414 /nfs/dbraw/zinc/83/44/14/1173834414.db2.gz PNKQOOYLDYZSJY-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1cccc(C)c1CCNc1cc(-c2nn[n-]n2)ncn1 ZINC001592224287 1173834418 /nfs/dbraw/zinc/83/44/18/1173834418.db2.gz PNKQOOYLDYZSJY-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1cnc([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)s1 ZINC001592293106 1173850422 /nfs/dbraw/zinc/85/04/22/1173850422.db2.gz XZARYDGTCPJWLW-ZETCQYMHSA-N -1 1 288.340 1.595 20 0 CDADMM Cc1cnc([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)s1 ZINC001592293106 1173850428 /nfs/dbraw/zinc/85/04/28/1173850428.db2.gz XZARYDGTCPJWLW-ZETCQYMHSA-N -1 1 288.340 1.595 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c1-c1nn[n-]n1 ZINC001592327351 1173853880 /nfs/dbraw/zinc/85/38/80/1173853880.db2.gz HFZISHNDDDKEIF-YIZRAAEISA-N -1 1 287.327 1.273 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@H]2CC[C@@H](C3CC3)O2)c1C ZINC001592339403 1173858503 /nfs/dbraw/zinc/85/85/03/1173858503.db2.gz KXRVGVFVXNNPLW-NEPJUHHUSA-N -1 1 288.355 1.638 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@H]2CC[C@@H](C3CC3)O2)c1C ZINC001592339403 1173858507 /nfs/dbraw/zinc/85/85/07/1173858507.db2.gz KXRVGVFVXNNPLW-NEPJUHHUSA-N -1 1 288.355 1.638 20 0 CDADMM Cc1ncc(COC(=O)c2ccc(-c3nn[n-]n3)o2)o1 ZINC001592410338 1173882666 /nfs/dbraw/zinc/88/26/66/1173882666.db2.gz KQTXBYHMCBWCJK-UHFFFAOYSA-N -1 1 275.224 1.113 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cccnc1F ZINC001592502797 1173907422 /nfs/dbraw/zinc/90/74/22/1173907422.db2.gz JKNVXQRHBRRYJL-UHFFFAOYSA-N -1 1 288.242 1.555 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cccnc1F ZINC001592502797 1173907428 /nfs/dbraw/zinc/90/74/28/1173907428.db2.gz JKNVXQRHBRRYJL-UHFFFAOYSA-N -1 1 288.242 1.555 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NOCCC1CC1 ZINC001592501914 1173908142 /nfs/dbraw/zinc/90/81/42/1173908142.db2.gz XDGMDJOHCFRITR-UHFFFAOYSA-N -1 1 277.284 1.230 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NOCCC1CC1 ZINC001592501914 1173908146 /nfs/dbraw/zinc/90/81/46/1173908146.db2.gz XDGMDJOHCFRITR-UHFFFAOYSA-N -1 1 277.284 1.230 20 0 CDADMM Cn1cc(CSc2cccc(-c3nnn[n-]3)n2)cn1 ZINC001592572858 1173921653 /nfs/dbraw/zinc/92/16/53/1173921653.db2.gz SMXWJUDUDUBUQV-UHFFFAOYSA-N -1 1 273.325 1.288 20 0 CDADMM Cn1cc(CSc2cccc(-c3nn[n-]n3)n2)cn1 ZINC001592572858 1173921661 /nfs/dbraw/zinc/92/16/61/1173921661.db2.gz SMXWJUDUDUBUQV-UHFFFAOYSA-N -1 1 273.325 1.288 20 0 CDADMM F[C@@]1(c2ccccc2)C[C@H]1Nc1ncncc1-c1nn[n-]n1 ZINC001592630329 1173938563 /nfs/dbraw/zinc/93/85/63/1173938563.db2.gz IPUONIKOYXWMDR-BXUZGUMPSA-N -1 1 297.297 1.706 20 0 CDADMM Fc1ccc(OCc2nc(-c3nnn[n-]3)cs2)cn1 ZINC001592652530 1173952335 /nfs/dbraw/zinc/95/23/35/1173952335.db2.gz NAZQVETUZBQARP-UHFFFAOYSA-N -1 1 278.272 1.436 20 0 CDADMM Fc1ccc(OCc2nc(-c3nn[n-]n3)cs2)cn1 ZINC001592652530 1173952339 /nfs/dbraw/zinc/95/23/39/1173952339.db2.gz NAZQVETUZBQARP-UHFFFAOYSA-N -1 1 278.272 1.436 20 0 CDADMM O=C(C=Cc1ccccc1F)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592800182 1173991312 /nfs/dbraw/zinc/99/13/12/1173991312.db2.gz QPDHRHNOEMXPNJ-WAYWQWQTSA-N -1 1 299.269 1.381 20 0 CDADMM O=C(C=Cc1ccccc1F)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592800182 1173991318 /nfs/dbraw/zinc/99/13/18/1173991318.db2.gz QPDHRHNOEMXPNJ-WAYWQWQTSA-N -1 1 299.269 1.381 20 0 CDADMM O=C(N[C@H]1CCSC1)c1csc(-c2nn[n-]n2)c1 ZINC001592996181 1174012581 /nfs/dbraw/zinc/01/25/81/1174012581.db2.gz MTNJIOATMMXXGJ-ZETCQYMHSA-N -1 1 281.366 1.164 20 0 CDADMM O=C(NC[C@H]1CC=CCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593030881 1174015161 /nfs/dbraw/zinc/01/51/61/1174015161.db2.gz QWAMSMNGEBTLGY-JTQLQIEISA-N -1 1 299.338 1.740 20 0 CDADMM O=C(NC[C@H]1CC=CCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593030881 1174015167 /nfs/dbraw/zinc/01/51/67/1174015167.db2.gz QWAMSMNGEBTLGY-JTQLQIEISA-N -1 1 299.338 1.740 20 0 CDADMM O=C(NCCC[C@H]1C=CCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593066768 1174020576 /nfs/dbraw/zinc/02/05/76/1174020576.db2.gz LMRQNTTWEYCQBR-NSHDSACASA-N -1 1 298.350 1.738 20 0 CDADMM O=C(NCCC[C@H]1C=CCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593066768 1174020584 /nfs/dbraw/zinc/02/05/84/1174020584.db2.gz LMRQNTTWEYCQBR-NSHDSACASA-N -1 1 298.350 1.738 20 0 CDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001593147559 1174025383 /nfs/dbraw/zinc/02/53/83/1174025383.db2.gz ZSVNTRWIRQCYBP-TUAOUCFPSA-N -1 1 298.350 1.314 20 0 CDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001593147559 1174025390 /nfs/dbraw/zinc/02/53/90/1174025390.db2.gz ZSVNTRWIRQCYBP-TUAOUCFPSA-N -1 1 298.350 1.314 20 0 CDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CC12CCCC2 ZINC001593147110 1174025787 /nfs/dbraw/zinc/02/57/87/1174025787.db2.gz BCWMBLLMOQWCNZ-LLVKDONJSA-N -1 1 298.350 1.458 20 0 CDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CC12CCCC2 ZINC001593147110 1174025793 /nfs/dbraw/zinc/02/57/93/1174025793.db2.gz BCWMBLLMOQWCNZ-LLVKDONJSA-N -1 1 298.350 1.458 20 0 CDADMM O=C(NN1CCCCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593153849 1174027051 /nfs/dbraw/zinc/02/70/51/1174027051.db2.gz XNCFKIUPQKGAFP-UHFFFAOYSA-N -1 1 290.302 1.137 20 0 CDADMM O=C(NN1CCCCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593153849 1174027059 /nfs/dbraw/zinc/02/70/59/1174027059.db2.gz XNCFKIUPQKGAFP-UHFFFAOYSA-N -1 1 290.302 1.137 20 0 CDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)C1CCCC1 ZINC001593147540 1174027393 /nfs/dbraw/zinc/02/73/93/1174027393.db2.gz ZCPAYLXGCDJZML-UHFFFAOYSA-N -1 1 272.312 1.068 20 0 CDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)C1CCCC1 ZINC001593147540 1174027397 /nfs/dbraw/zinc/02/73/97/1174027397.db2.gz ZCPAYLXGCDJZML-UHFFFAOYSA-N -1 1 272.312 1.068 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1CC12CC2 ZINC001593244509 1174036456 /nfs/dbraw/zinc/03/64/56/1174036456.db2.gz YRHUXOWLCBUCJW-ZETCQYMHSA-N -1 1 256.269 1.000 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1CC12CC2 ZINC001593244509 1174036465 /nfs/dbraw/zinc/03/64/65/1174036465.db2.gz YRHUXOWLCBUCJW-ZETCQYMHSA-N -1 1 256.269 1.000 20 0 CDADMM O=C(Nc1ccc[nH]c1=O)c1ccsc1-c1nnn[n-]1 ZINC001593254407 1174040959 /nfs/dbraw/zinc/04/09/59/1174040959.db2.gz JUKVHKZCYJAPIJ-UHFFFAOYSA-N -1 1 288.292 1.281 20 0 CDADMM O=C(Nc1ccc[nH]c1=O)c1ccsc1-c1nn[n-]n1 ZINC001593254407 1174040966 /nfs/dbraw/zinc/04/09/66/1174040966.db2.gz JUKVHKZCYJAPIJ-UHFFFAOYSA-N -1 1 288.292 1.281 20 0 CDADMM O=C(Nc1cncc(F)c1)c1csc(-c2nn[n-]n2)c1 ZINC001593258651 1174043109 /nfs/dbraw/zinc/04/31/09/1174043109.db2.gz NNSKMFCZNTYRME-UHFFFAOYSA-N -1 1 290.283 1.715 20 0 CDADMM O=C(OCCOC1CC1)c1ccc(-c2nnn[n-]2)s1 ZINC001593290078 1174053488 /nfs/dbraw/zinc/05/34/88/1174053488.db2.gz GCFZMNMGSSRLRK-UHFFFAOYSA-N -1 1 280.309 1.264 20 0 CDADMM O=C(OCCOC1CC1)c1ccc(-c2nn[n-]n2)s1 ZINC001593290078 1174053499 /nfs/dbraw/zinc/05/34/99/1174053499.db2.gz GCFZMNMGSSRLRK-UHFFFAOYSA-N -1 1 280.309 1.264 20 0 CDADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001593297383 1174056389 /nfs/dbraw/zinc/05/63/89/1174056389.db2.gz HSRLMHNWIVBUFL-JMJZKYOTSA-N -1 1 288.307 1.939 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001593297383 1174056395 /nfs/dbraw/zinc/05/63/95/1174056395.db2.gz HSRLMHNWIVBUFL-JMJZKYOTSA-N -1 1 288.307 1.939 20 0 CDADMM O=C(OCCc1cccs1)c1ccc(-c2nn[n-]n2)o1 ZINC001593292331 1174057283 /nfs/dbraw/zinc/05/72/83/1174057283.db2.gz CFRXYEASJVBTJG-UHFFFAOYSA-N -1 1 290.304 1.921 20 0 CDADMM O=C(Oc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC001593308190 1174062020 /nfs/dbraw/zinc/06/20/20/1174062020.db2.gz VPIUAZWDOUAYIC-UHFFFAOYSA-N -1 1 285.238 1.620 20 0 CDADMM O=C(Oc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC001593308190 1174062024 /nfs/dbraw/zinc/06/20/24/1174062024.db2.gz VPIUAZWDOUAYIC-UHFFFAOYSA-N -1 1 285.238 1.620 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC001593368990 1174070847 /nfs/dbraw/zinc/07/08/47/1174070847.db2.gz DXLSTVAGLDXQQI-AOOOYVTPSA-N -1 1 287.323 1.722 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC001593368990 1174070855 /nfs/dbraw/zinc/07/08/55/1174070855.db2.gz DXLSTVAGLDXQQI-AOOOYVTPSA-N -1 1 287.323 1.722 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1C[C@@H]1CCC2(CCC2)O1 ZINC001593494525 1174086746 /nfs/dbraw/zinc/08/67/46/1174086746.db2.gz TYMSULFIYYBXCR-NSHDSACASA-N -1 1 287.323 1.130 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CCC3(CCOC3)CC2)c1 ZINC001593549909 1174121703 /nfs/dbraw/zinc/12/17/03/1174121703.db2.gz HQHFSMTULORZQA-UHFFFAOYSA-N -1 1 286.339 1.269 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CCC3(CCOC3)CC2)c1 ZINC001593549909 1174121707 /nfs/dbraw/zinc/12/17/07/1174121707.db2.gz HQHFSMTULORZQA-UHFFFAOYSA-N -1 1 286.339 1.269 20 0 CDADMM c1cc(N2CC3(C2)CCCCC3)nnc1-c1nnn[n-]1 ZINC001593557852 1174130391 /nfs/dbraw/zinc/13/03/91/1174130391.db2.gz ZLFAYLQXVKDBON-UHFFFAOYSA-N -1 1 271.328 1.427 20 0 CDADMM c1cc(N2CC3(C2)CCCCC3)nnc1-c1nn[n-]n1 ZINC001593557852 1174130397 /nfs/dbraw/zinc/13/03/97/1174130397.db2.gz ZLFAYLQXVKDBON-UHFFFAOYSA-N -1 1 271.328 1.427 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OCCO[C@H]2CCCCO2)c1 ZINC001593584911 1174153112 /nfs/dbraw/zinc/15/31/12/1174153112.db2.gz QTQLRMVAJCWNKL-NSHDSACASA-N -1 1 291.311 1.184 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OCCO[C@H]2CCCCO2)c1 ZINC001593584911 1174153115 /nfs/dbraw/zinc/15/31/15/1174153115.db2.gz QTQLRMVAJCWNKL-NSHDSACASA-N -1 1 291.311 1.184 20 0 CDADMM c1oc(-c2nnn[n-]2)cc1-c1nc(-c2cccnc2)no1 ZINC001593588026 1174156347 /nfs/dbraw/zinc/15/63/47/1174156347.db2.gz UFBGIQBNLZFGOI-UHFFFAOYSA-N -1 1 281.235 1.572 20 0 CDADMM c1oc(-c2nn[n-]n2)cc1-c1nc(-c2cccnc2)no1 ZINC001593588026 1174156351 /nfs/dbraw/zinc/15/63/51/1174156351.db2.gz UFBGIQBNLZFGOI-UHFFFAOYSA-N -1 1 281.235 1.572 20 0 CDADMM c1coc(-c2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)c1 ZINC001593589799 1174157383 /nfs/dbraw/zinc/15/73/83/1174157383.db2.gz RUEWBVUEVCMYCU-UHFFFAOYSA-N -1 1 281.235 1.572 20 0 CDADMM c1coc(-c2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)c1 ZINC001593589799 1174157386 /nfs/dbraw/zinc/15/73/86/1174157386.db2.gz RUEWBVUEVCMYCU-UHFFFAOYSA-N -1 1 281.235 1.572 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1N[C@H]1CCCC2(CC2)C1 ZINC001593594686 1174161763 /nfs/dbraw/zinc/16/17/63/1174161763.db2.gz GBARXWGGKUHOJA-VIFPVBQESA-N -1 1 271.328 1.791 20 0 CDADMM O=C([O-])[C@@H]1CN(CC(=O)Nc2nccs2)C[C@H]1C1CC1 ZINC001601318069 1174833301 /nfs/dbraw/zinc/83/33/01/1174833301.db2.gz OBTVTNFFOMVNCI-VHSXEESVSA-N -1 1 295.364 1.124 20 0 CDADMM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)Cc2nc[nH]n2)cc1 ZINC001601376138 1174850864 /nfs/dbraw/zinc/85/08/64/1174850864.db2.gz KOGWJBRUKVWHOS-WDEREUQCSA-N -1 1 286.291 1.174 20 0 CDADMM O=C([O-])C1CCC(NC(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC001601792098 1175006526 /nfs/dbraw/zinc/00/65/26/1175006526.db2.gz FHTYALBQZHKAPR-YIZWMMSDSA-N -1 1 294.395 1.763 20 0 CDADMM O=C([O-])[C@@H]1CCN(Cc2cc[nH]n2)[C@@H]([C@@H]2CCCO2)C1 ZINC001601828445 1175025926 /nfs/dbraw/zinc/02/59/26/1175025926.db2.gz XOAJWWLKRSRYSB-RTXFEEFZSA-N -1 1 279.340 1.254 20 0 CDADMM O=C([O-])C[C@H]1C[N@H+](Cc2cccc(C(=O)[O-])c2)CCO1 ZINC001601961712 1175088240 /nfs/dbraw/zinc/08/82/40/1175088240.db2.gz IYOBIZMORTVDRF-LBPRGKRZSA-N -1 1 279.292 1.060 20 0 CDADMM O=C([O-])C[C@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2)CCO1 ZINC001601961712 1175088247 /nfs/dbraw/zinc/08/82/47/1175088247.db2.gz IYOBIZMORTVDRF-LBPRGKRZSA-N -1 1 279.292 1.060 20 0 CDADMM O=C([O-])CC[N@@H+](CC(=O)[O-])Cc1ccnc(Cl)c1 ZINC001602004847 1175108059 /nfs/dbraw/zinc/10/80/59/1175108059.db2.gz OILFMHMUAHQZII-UHFFFAOYSA-N -1 1 272.688 1.096 20 0 CDADMM O=C([O-])COc1ccc(C[N@@H+](CC(=O)[O-])C2CCC2)cc1 ZINC001602082422 1175127462 /nfs/dbraw/zinc/12/74/62/1175127462.db2.gz AUVMCALNZOMLEK-UHFFFAOYSA-N -1 1 293.319 1.589 20 0 CDADMM O=C([O-])[C@@H]1OCC[C@@H]1NCc1cccnc1Cl ZINC001602203189 1175162537 /nfs/dbraw/zinc/16/25/37/1175162537.db2.gz YJQBACVKJNCFMW-DTWKUNHWSA-N -1 1 256.689 1.067 20 0 CDADMM O=C([O-])[C@H]1CC(F)(F)CN1C(=O)c1cnc(C2CC2)[nH]1 ZINC001602211470 1175168078 /nfs/dbraw/zinc/16/80/78/1175168078.db2.gz PNUBBUPIYBXMGY-MRVPVSSYSA-N -1 1 285.250 1.222 20 0 CDADMM O=C([O-])c1ccc(F)c(CN2C[C@@H]3C(=O)OC[C@@H]3C2)c1 ZINC001602364024 1175224414 /nfs/dbraw/zinc/22/44/14/1175224414.db2.gz LEJHUHSQEBDGGN-QWRGUYRKSA-N -1 1 279.267 1.129 20 0 CDADMM O=C([O-])c1cccc2c1CCN2C(=O)c1ncccc1O ZINC001602458442 1175245905 /nfs/dbraw/zinc/24/59/05/1175245905.db2.gz UWLIMSMMUGLAPZ-UHFFFAOYSA-N -1 1 284.271 1.688 20 0 CDADMM O=C([O-])c1ccoc1CN1CCc2cc[nH]c(=O)c2C1 ZINC001602485951 1175259791 /nfs/dbraw/zinc/25/97/91/1175259791.db2.gz JBDUTKHOXBLCSS-UHFFFAOYSA-N -1 1 274.276 1.637 20 0 CDADMM O=C([O-])c1cnc(NCCc2nc[nH]n2)c(Cl)c1 ZINC001602533059 1175275934 /nfs/dbraw/zinc/27/59/34/1175275934.db2.gz UUWIZRYWDXQGIC-UHFFFAOYSA-N -1 1 267.676 1.206 20 0 CDADMM O=C([O-])c1cnc(NCc2n[nH]c(-c3ccccc3)n2)nc1 ZINC001602533250 1175276128 /nfs/dbraw/zinc/27/61/28/1175276128.db2.gz BHVRUWMPDSPYJK-UHFFFAOYSA-N -1 1 296.290 1.572 20 0 CDADMM O=C([O-])c1cnc(NCc2nc(-c3ccccc3)n[nH]2)nc1 ZINC001602533250 1175276136 /nfs/dbraw/zinc/27/61/36/1175276136.db2.gz BHVRUWMPDSPYJK-UHFFFAOYSA-N -1 1 296.290 1.572 20 0 CDADMM O=C([O-])c1coc(C[N@@H+]2CC[C@@H](CCCO)C2)c1 ZINC001602551135 1175290878 /nfs/dbraw/zinc/29/08/78/1175290878.db2.gz BVHAJSOHCOVPDB-SNVBAGLBSA-N -1 1 253.298 1.572 20 0 CDADMM O=C([O-])c1coc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC001602551527 1175291034 /nfs/dbraw/zinc/29/10/34/1175291034.db2.gz NISOEELJGQJVEH-MRVPVSSYSA-N -1 1 292.295 1.181 20 0 CDADMM O=C([O-])c1coc(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC001602551527 1175291040 /nfs/dbraw/zinc/29/10/40/1175291040.db2.gz NISOEELJGQJVEH-MRVPVSSYSA-N -1 1 292.295 1.181 20 0 CDADMM O=C([O-])c1coc(CNCc2n[nH]c([C@@H]3CCCO3)n2)c1 ZINC001602556465 1175295207 /nfs/dbraw/zinc/29/52/07/1175295207.db2.gz NIUUGODLYYPLQC-JTQLQIEISA-N -1 1 292.295 1.237 20 0 CDADMM O=C([O-])[C@]1(c2ccccc2)CCN(CN2CCCC2=O)C1 ZINC001602643978 1175336282 /nfs/dbraw/zinc/33/62/82/1175336282.db2.gz PJSUMOJXYWFKLP-MRXNPFEDSA-N -1 1 288.347 1.295 20 0 CDADMM C(=C\c1ccccc1)\COc1cnc(-c2nn[n-]n2)nc1 ZINC001602745582 1175381878 /nfs/dbraw/zinc/38/18/78/1175381878.db2.gz KDKVWLCSIPQBEO-DAXSKMNVSA-N -1 1 280.291 1.749 20 0 CDADMM C/C(=C\C(=O)OCc1cccnc1-c1nnn[n-]1)C1CC1 ZINC001602902418 1175447434 /nfs/dbraw/zinc/44/74/34/1175447434.db2.gz XXYOANOSGVFFKR-VQHVLOKHSA-N -1 1 285.307 1.661 20 0 CDADMM C/C(=C\C(=O)OCc1cccnc1-c1nn[n-]n1)C1CC1 ZINC001602902418 1175447441 /nfs/dbraw/zinc/44/74/41/1175447441.db2.gz XXYOANOSGVFFKR-VQHVLOKHSA-N -1 1 285.307 1.661 20 0 CDADMM C=Cn1cc(CN[C@](C)(CC(=O)[O-])c2ccncc2)cn1 ZINC001602946256 1175454531 /nfs/dbraw/zinc/45/45/31/1175454531.db2.gz SRSPVWAIFNVDRC-OAHLLOKOSA-N -1 1 286.335 1.858 20 0 CDADMM C[C@@H](C(=O)NCC(F)(F)F)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001603164991 1175507100 /nfs/dbraw/zinc/50/71/00/1175507100.db2.gz ZXOPZROHWCPRDX-LAEOZQHASA-N -1 1 296.289 1.096 20 0 CDADMM CC(C)[C@H](C)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001603208616 1175515369 /nfs/dbraw/zinc/51/53/69/1175515369.db2.gz KRXCQYVVBMUAPY-VIFPVBQESA-N -1 1 274.328 1.170 20 0 CDADMM CC(C)[C@H](C)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001603208616 1175515383 /nfs/dbraw/zinc/51/53/83/1175515383.db2.gz KRXCQYVVBMUAPY-VIFPVBQESA-N -1 1 274.328 1.170 20 0 CDADMM CC(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603279013 1175531503 /nfs/dbraw/zinc/53/15/03/1175531503.db2.gz BHGNQEDXJAPQQI-UHFFFAOYSA-N -1 1 263.301 1.578 20 0 CDADMM CC(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603279013 1175531509 /nfs/dbraw/zinc/53/15/09/1175531509.db2.gz BHGNQEDXJAPQQI-UHFFFAOYSA-N -1 1 263.301 1.578 20 0 CDADMM CC(C)CNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001603298782 1175533530 /nfs/dbraw/zinc/53/35/30/1175533530.db2.gz XYVOXJJROFBFRA-UHFFFAOYSA-N -1 1 280.719 1.301 20 0 CDADMM CC(C)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001603315719 1175539028 /nfs/dbraw/zinc/53/90/28/1175539028.db2.gz MKCQENHNPAHTRH-UHFFFAOYSA-N -1 1 280.357 1.478 20 0 CDADMM C[C@@H](CC(=O)OCc1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC001603450850 1175556574 /nfs/dbraw/zinc/55/65/74/1175556574.db2.gz CZYBEPVNLDRGGC-QMMMGPOBSA-N -1 1 276.296 1.939 20 0 CDADMM C[C@@H](CC(=O)OCc1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC001603450850 1175556583 /nfs/dbraw/zinc/55/65/83/1175556583.db2.gz CZYBEPVNLDRGGC-QMMMGPOBSA-N -1 1 276.296 1.939 20 0 CDADMM C[C@H](CNc1ncncc1-c1nn[n-]n1)c1ccncc1 ZINC001603564987 1175567029 /nfs/dbraw/zinc/56/70/29/1175567029.db2.gz DXVSUBACUJGJRK-SECBINFHSA-N -1 1 282.311 1.267 20 0 CDADMM C[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)C1CCOCC1 ZINC001603648356 1175586814 /nfs/dbraw/zinc/58/68/14/1175586814.db2.gz FXMSESBHQWSKQW-QMMMGPOBSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC001603648356 1175586817 /nfs/dbraw/zinc/58/68/17/1175586817.db2.gz FXMSESBHQWSKQW-QMMMGPOBSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@H](C[C@H](C)O)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001603696670 1175601833 /nfs/dbraw/zinc/60/18/33/1175601833.db2.gz UQRAMNGJDBPQDC-UHNVWZDZSA-N -1 1 288.764 1.548 20 0 CDADMM CC1(C)C[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)CCS1 ZINC001603764893 1175621767 /nfs/dbraw/zinc/62/17/67/1175621767.db2.gz JHDAEPOMZYSCMN-JTQLQIEISA-N -1 1 290.396 1.770 20 0 CDADMM CC1(C)C[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)CCS1 ZINC001603764893 1175621771 /nfs/dbraw/zinc/62/17/71/1175621771.db2.gz JHDAEPOMZYSCMN-JTQLQIEISA-N -1 1 290.396 1.770 20 0 CDADMM CC1(C)SC[C@H]1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603796080 1175634808 /nfs/dbraw/zinc/63/48/08/1175634808.db2.gz UECIEYXTCSQQBO-MRVPVSSYSA-N -1 1 279.325 1.084 20 0 CDADMM CC1(C)SC[C@H]1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001603796080 1175634811 /nfs/dbraw/zinc/63/48/11/1175634811.db2.gz UECIEYXTCSQQBO-MRVPVSSYSA-N -1 1 279.325 1.084 20 0 CDADMM C[C@@]1(CNc2cc(-c3nnn[n-]3)ncn2)CC1(F)F ZINC001603807471 1175638827 /nfs/dbraw/zinc/63/88/27/1175638827.db2.gz QPTSUFDOKBKTKX-VIFPVBQESA-N -1 1 267.243 1.114 20 0 CDADMM C[C@@]1(CNc2cc(-c3nn[n-]n3)ncn2)CC1(F)F ZINC001603807471 1175638829 /nfs/dbraw/zinc/63/88/29/1175638829.db2.gz QPTSUFDOKBKTKX-VIFPVBQESA-N -1 1 267.243 1.114 20 0 CDADMM C[C@@H]1C(=O)CCCN1c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001603830253 1175647095 /nfs/dbraw/zinc/64/70/95/1175647095.db2.gz HGFUGGYSZASWGN-MRVPVSSYSA-N -1 1 299.338 1.092 20 0 CDADMM C[C@@H]1C(=O)CCCN1c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001603830253 1175647097 /nfs/dbraw/zinc/64/70/97/1175647097.db2.gz HGFUGGYSZASWGN-MRVPVSSYSA-N -1 1 299.338 1.092 20 0 CDADMM C[C@@H]1C[C@@H](C)[C@@H](C)N(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001603844569 1175651296 /nfs/dbraw/zinc/65/12/96/1175651296.db2.gz DCVHEWQGCHCKCM-OPRDCNLKSA-N -1 1 273.344 1.528 20 0 CDADMM C[C@@H]1C[C@@H](C)[C@@H](C)N(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001603844569 1175651298 /nfs/dbraw/zinc/65/12/98/1175651298.db2.gz DCVHEWQGCHCKCM-OPRDCNLKSA-N -1 1 273.344 1.528 20 0 CDADMM CC(C)C[C@H](NC(=O)CCN1CC[C@@H](F)C1)C(=O)[O-] ZINC001603840491 1175651890 /nfs/dbraw/zinc/65/18/90/1175651890.db2.gz SZZKDEDSWVHYIB-MNOVXSKESA-N -1 1 274.336 1.036 20 0 CDADMM C[C@H]1CC[C@H](CNC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001603876597 1175666134 /nfs/dbraw/zinc/66/61/34/1175666134.db2.gz KYQHGDGNKCCYIN-UWVGGRQHSA-N -1 1 286.339 1.428 20 0 CDADMM C[C@H]1CC[C@H](CNC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001603876597 1175666139 /nfs/dbraw/zinc/66/61/39/1175666139.db2.gz KYQHGDGNKCCYIN-UWVGGRQHSA-N -1 1 286.339 1.428 20 0 CDADMM C[C@H]1CC[C@@H]1NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001603879444 1175666245 /nfs/dbraw/zinc/66/62/45/1175666245.db2.gz CDCWJQFHEFUCOG-WKEGUHRASA-N -1 1 293.277 1.673 20 0 CDADMM C[C@H]1CC[C@@H]1NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001603879444 1175666249 /nfs/dbraw/zinc/66/62/49/1175666249.db2.gz CDCWJQFHEFUCOG-WKEGUHRASA-N -1 1 293.277 1.673 20 0 CDADMM CC(C)OC(=O)c1cc(NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)n[nH]1 ZINC001603907507 1175680345 /nfs/dbraw/zinc/68/03/45/1175680345.db2.gz HOAGFLRIMYJZGE-OCAPTIKFSA-N -1 1 295.295 1.024 20 0 CDADMM CC/C(C)=C/C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001603989478 1175709129 /nfs/dbraw/zinc/70/91/29/1175709129.db2.gz DKYQTDSFUULHMB-RMKNXTFCSA-N -1 1 273.296 1.661 20 0 CDADMM CC/C(C)=C/C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001603989478 1175709136 /nfs/dbraw/zinc/70/91/36/1175709136.db2.gz DKYQTDSFUULHMB-RMKNXTFCSA-N -1 1 273.296 1.661 20 0 CDADMM CCC(CC)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001604022953 1175724134 /nfs/dbraw/zinc/72/41/34/1175724134.db2.gz NGCAQJKUFGEPRF-UHFFFAOYSA-N -1 1 274.328 1.314 20 0 CDADMM CCC(CC)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001604022953 1175724139 /nfs/dbraw/zinc/72/41/39/1175724139.db2.gz NGCAQJKUFGEPRF-UHFFFAOYSA-N -1 1 274.328 1.314 20 0 CDADMM CC[C@H](COCC1CC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001604040242 1175730307 /nfs/dbraw/zinc/73/03/07/1175730307.db2.gz YKMOENGYMMCPFR-LLVKDONJSA-N -1 1 288.355 1.301 20 0 CDADMM CC[C@H](COCC1CC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001604040242 1175730311 /nfs/dbraw/zinc/73/03/11/1175730311.db2.gz YKMOENGYMMCPFR-LLVKDONJSA-N -1 1 288.355 1.301 20 0 CDADMM C[C@@H](/C=C/C(=O)[O-])NC(=O)c1ccn(-c2ccncc2)n1 ZINC001604061523 1175741796 /nfs/dbraw/zinc/74/17/96/1175741796.db2.gz SSVFLWGTGJZXCT-PBKGFPTLSA-N -1 1 286.291 1.026 20 0 CDADMM CC[C@@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)CCS1 ZINC001604108811 1175766908 /nfs/dbraw/zinc/76/69/08/1175766908.db2.gz NSPRKOYEBIQSCM-SECBINFHSA-N -1 1 293.352 1.427 20 0 CDADMM CC[C@@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)CCS1 ZINC001604108811 1175766916 /nfs/dbraw/zinc/76/69/16/1175766916.db2.gz NSPRKOYEBIQSCM-SECBINFHSA-N -1 1 293.352 1.427 20 0 CDADMM Cc1nc(Cl)sc1S(=O)(=O)[N-][C@]1(C)CCOC1 ZINC000160047375 1178309067 /nfs/dbraw/zinc/30/90/67/1178309067.db2.gz DBAVPTDGHMXJMU-SECBINFHSA-N -1 1 296.801 1.562 20 0 CDADMM CN(C)c1cccc(CNC(=O)c2ccc([O-])cc2F)n1 ZINC000165337185 1180984672 /nfs/dbraw/zinc/98/46/72/1180984672.db2.gz CFGHFMPIIPNLQY-UHFFFAOYSA-N -1 1 289.310 1.922 20 0 CDADMM CC(C)(CCC(=O)[O-])C(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC001771922440 1186957682 /nfs/dbraw/zinc/95/76/82/1186957682.db2.gz YMHJUUBYEDVXMV-VIFPVBQESA-N -1 1 280.328 1.012 20 0 CDADMM CN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001606224701 1163817455 /nfs/dbraw/zinc/81/74/55/1163817455.db2.gz PDOXYYHFKARACB-NJMOYASZSA-N -1 1 280.368 1.086 20 0 CDADMM FC1(F)CC[C@@H](CNc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001606299598 1163842912 /nfs/dbraw/zinc/84/29/12/1163842912.db2.gz ANXXULKNBVIOIV-SSDOTTSWSA-N -1 1 281.270 1.504 20 0 CDADMM FC1(F)CC[C@@H](CNc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001606299598 1163842917 /nfs/dbraw/zinc/84/29/17/1163842917.db2.gz ANXXULKNBVIOIV-SSDOTTSWSA-N -1 1 281.270 1.504 20 0 CDADMM O=C(NC[C@H]1CCSC1)c1csc(-c2nn[n-]n2)c1 ZINC001606745141 1163979993 /nfs/dbraw/zinc/97/99/93/1163979993.db2.gz CHHXRZSELLECRI-SSDOTTSWSA-N -1 1 295.393 1.411 20 0 CDADMM O=C(NCCCC1CCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001606763171 1163985315 /nfs/dbraw/zinc/98/53/15/1163985315.db2.gz CQUHXCHRORTWQP-UHFFFAOYSA-N -1 1 275.312 1.770 20 0 CDADMM O=C(NCCCC1CCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001606763171 1163985323 /nfs/dbraw/zinc/98/53/23/1163985323.db2.gz CQUHXCHRORTWQP-UHFFFAOYSA-N -1 1 275.312 1.770 20 0 CDADMM COC[C@@H](NCc1ccnc(Cl)c1Cl)C(=O)[O-] ZINC001606816337 1163999653 /nfs/dbraw/zinc/99/96/53/1163999653.db2.gz WFCFYJHXPUASJS-SSDOTTSWSA-N -1 1 279.123 1.578 20 0 CDADMM O=C(OC[C@@H]1CCSC1)c1csc(-c2nnn[n-]2)c1 ZINC001606967556 1164040839 /nfs/dbraw/zinc/04/08/39/1164040839.db2.gz LMODIODSDFQGED-ZETCQYMHSA-N -1 1 296.377 1.838 20 0 CDADMM O=C(OC[C@@H]1CCSC1)c1csc(-c2nn[n-]n2)c1 ZINC001606967556 1164040843 /nfs/dbraw/zinc/04/08/43/1164040843.db2.gz LMODIODSDFQGED-ZETCQYMHSA-N -1 1 296.377 1.838 20 0 CDADMM COc1ccc(CNC(=O)[C@H]2CCCN2C)cc1C(=O)[O-] ZINC001607257733 1164137956 /nfs/dbraw/zinc/13/79/56/1164137956.db2.gz BPXJFBFWFFVCDT-GFCCVEGCSA-N -1 1 292.335 1.104 20 0 CDADMM COc1nsc(CN(C)C[C@@H](C)OC)c1C(=O)[O-] ZINC001607363046 1164160989 /nfs/dbraw/zinc/16/09/89/1164160989.db2.gz MFOWYAGJRRGAGL-SSDOTTSWSA-N -1 1 274.342 1.317 20 0 CDADMM Cc1[nH]c(CN2CCC3(CC2)OCCCO3)cc1C(=O)[O-] ZINC001607495498 1164206164 /nfs/dbraw/zinc/20/61/64/1164206164.db2.gz XCFMMVIETLQLQC-UHFFFAOYSA-N -1 1 294.351 1.750 20 0 CDADMM CC(C)(CCO)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000142505220 1164366624 /nfs/dbraw/zinc/36/66/24/1164366624.db2.gz OJZDWAGWAQDYTR-UHFFFAOYSA-N -1 1 279.308 1.404 20 0 CDADMM CSc1ccsc1C(=O)N(C)c1nn[n-]n1 ZINC001333398276 958311248 /nfs/dbraw/zinc/31/12/48/958311248.db2.gz WKJCXAAFPXOKDW-UHFFFAOYSA-N -1 1 255.328 1.260 20 0 CDADMM O=C([O-])[C@H](CF)NCc1ccccc1OCC(F)F ZINC001608534109 1164536614 /nfs/dbraw/zinc/53/66/14/1164536614.db2.gz QQSOXCXTXGNBMC-VIFPVBQESA-N -1 1 277.242 1.843 20 0 CDADMM O=C([O-])CCCONC(=O)c1ccc(Cl)cc1O ZINC001608716458 1164619008 /nfs/dbraw/zinc/61/90/08/1164619008.db2.gz OJRSJYWRVLKYFP-UHFFFAOYSA-N -1 1 273.672 1.572 20 0 CDADMM CC[C@](C)(O)CNc1nc(-c2nn[n-]n2)ccc1C 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CC(C)c1ccoc1C(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001609721129 1165055220 /nfs/dbraw/zinc/05/52/20/1165055220.db2.gz PLFOAMURMQHNOH-LLVKDONJSA-N -1 1 294.351 1.491 20 0 CDADMM C[C@H]1C[C@H](C)N(CC(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001609841069 1165107508 /nfs/dbraw/zinc/10/75/08/1165107508.db2.gz PWSKSRFHXXYNET-UWVGGRQHSA-N -1 1 277.324 1.449 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)Cc1ccsc1 ZINC001609866596 1165121249 /nfs/dbraw/zinc/12/12/49/1165121249.db2.gz DWLJCYUSCFUURN-NSHDSACASA-N -1 1 296.392 1.298 20 0 CDADMM CCCC(=O)NC1CCN(Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC001609952302 1165159842 /nfs/dbraw/zinc/15/98/42/1165159842.db2.gz NPFVVTMOXBCBGY-UHFFFAOYSA-N -1 1 293.367 1.594 20 0 CDADMM CN(Cn1cc(C(=O)[O-])nn1)[C@H]1CCC(C)(C)C1 ZINC001610125658 1165226186 /nfs/dbraw/zinc/22/61/86/1165226186.db2.gz CFEGIIDPBCTOCN-VIFPVBQESA-N -1 1 252.318 1.444 20 0 CDADMM Cc1n[nH]nc1C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001610456022 1165319477 /nfs/dbraw/zinc/31/94/77/1165319477.db2.gz 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575577916 /nfs/dbraw/zinc/57/79/16/575577916.db2.gz NANXNIJJVWPPMD-HTQZYQBOSA-N -1 1 296.762 1.734 20 0 CDADMM C[C@@H](O)C[C@@H](C)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736144089 575577918 /nfs/dbraw/zinc/57/79/18/575577918.db2.gz NANXNIJJVWPPMD-HTQZYQBOSA-N -1 1 296.762 1.734 20 0 CDADMM C[C@@H]1C[C@@H]1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736236856 575598329 /nfs/dbraw/zinc/59/83/29/575598329.db2.gz LYHQJVOZONBJBN-RKDXNWHRSA-N -1 1 281.323 1.878 20 0 CDADMM C[C@@H]1C[C@@H]1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736236856 575598330 /nfs/dbraw/zinc/59/83/30/575598330.db2.gz LYHQJVOZONBJBN-RKDXNWHRSA-N -1 1 281.323 1.878 20 0 CDADMM C[C@H]1CCC[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736255225 575605922 /nfs/dbraw/zinc/60/59/22/575605922.db2.gz VDKLHNKPOAUMQS-GXSJLCMTSA-N -1 1 287.323 1.997 20 0 CDADMM C[C@H]1CCC[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736255225 575605923 /nfs/dbraw/zinc/60/59/23/575605923.db2.gz VDKLHNKPOAUMQS-GXSJLCMTSA-N -1 1 287.323 1.997 20 0 CDADMM CC[C@@H](C)[C@H](O)CNc1cccc(-c2nnn[n-]2)n1 ZINC000736326007 575624460 /nfs/dbraw/zinc/62/44/60/575624460.db2.gz AYSWAUXRLYFBRJ-PSASIEDQSA-N -1 1 262.317 1.081 20 0 CDADMM CC(C)(NCC(=O)N[C@H]1CCOc2ccccc21)C(=O)[O-] ZINC000736339502 575628615 /nfs/dbraw/zinc/62/86/15/575628615.db2.gz QWRIWDPQDZKVER-NSHDSACASA-N -1 1 292.335 1.079 20 0 CDADMM CC(C)CN(CCC(=O)[O-])C(=O)[C@@H]1CCCN1C ZINC000736433079 575657644 /nfs/dbraw/zinc/65/76/44/575657644.db2.gz USBBSZHIZMSLTA-NSHDSACASA-N -1 1 256.346 1.040 20 0 CDADMM C[C@H](CN(C)[C@H](C(=O)NC1CC1)c1ccccc1)C(=O)[O-] ZINC000736575754 575694841 /nfs/dbraw/zinc/69/48/41/575694841.db2.gz QGPIJTGDCILKKG-RISCZKNCSA-N -1 1 290.363 1.659 20 0 CDADMM C[C@H](C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cn1)C(=O)[O-] ZINC000736576364 575695325 /nfs/dbraw/zinc/69/53/25/575695325.db2.gz YOMHRQTUBVOLOA-RKDXNWHRSA-N -1 1 299.758 1.715 20 0 CDADMM C[C@H](CN(C)[C@H](C)C(=O)Nc1ccc(Cl)cn1)C(=O)[O-] ZINC000736576364 575695329 /nfs/dbraw/zinc/69/53/29/575695329.db2.gz 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/nfs/dbraw/zinc/15/24/64/576152464.db2.gz NTEBRRNNIPGEDM-GFCCVEGCSA-N -1 1 279.727 1.989 20 0 CDADMM CCc1cc2c(C[N@H+](C)CC(=O)[O-])cc(=O)oc2cc1[O-] ZINC000739544370 576251049 /nfs/dbraw/zinc/25/10/49/576251049.db2.gz ZPZXBPKZTUBCNI-UHFFFAOYSA-N -1 1 291.303 1.577 20 0 CDADMM CCc1cc2c(C[N@@H+](C)CC(=O)[O-])cc(=O)oc2cc1[O-] ZINC000739544370 576251050 /nfs/dbraw/zinc/25/10/50/576251050.db2.gz ZPZXBPKZTUBCNI-UHFFFAOYSA-N -1 1 291.303 1.577 20 0 CDADMM Cc1ccc([C@@H](O)CNC(=O)c2ccc([O-])c(F)c2)o1 ZINC000768274118 576267829 /nfs/dbraw/zinc/26/78/29/576267829.db2.gz YRFWOYHQBCUWLF-LBPRGKRZSA-N -1 1 279.267 1.896 20 0 CDADMM CC(C)C[C@H](O)CNC(=O)c1ccc([O-])c(F)c1 ZINC000768280996 576268274 /nfs/dbraw/zinc/26/82/74/576268274.db2.gz PQECBYCXUDOCHX-JTQLQIEISA-N -1 1 255.289 1.668 20 0 CDADMM O=C([O-])c1ccnc(NC(=O)c2cccc3c[nH]nc32)c1 ZINC000740244055 576449204 /nfs/dbraw/zinc/44/92/04/576449204.db2.gz BQNFEQJHKFCHCX-UHFFFAOYSA-N -1 1 282.259 1.908 20 0 CDADMM Cc1ccc([C@H](O)CNC(=O)c2cncc([O-])c2)o1 ZINC000741293010 576550018 /nfs/dbraw/zinc/55/00/18/576550018.db2.gz CTWRNIAZSLASLJ-LLVKDONJSA-N -1 1 262.265 1.152 20 0 CDADMM O=C([N-]N1CCCC1=O)c1ccc(-c2cc[nH]n2)s1 ZINC000762251657 576633758 /nfs/dbraw/zinc/63/37/58/576633758.db2.gz GLQFZBVXHSGULK-UHFFFAOYSA-N -1 1 276.321 1.405 20 0 CDADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)[C@@H]1CCCO1 ZINC000763807001 576759014 /nfs/dbraw/zinc/75/90/14/576759014.db2.gz JSTSXKUAMYQAGN-LBPRGKRZSA-N -1 1 290.271 1.721 20 0 CDADMM C[C@H](CC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1)C1CC1 ZINC000747474725 576872069 /nfs/dbraw/zinc/87/20/69/576872069.db2.gz YERPBRFBONAGGY-QMTHXVAHSA-N -1 1 285.351 1.842 20 0 CDADMM C[C@H](NCc1nc(=O)n(C)[n-]1)c1nc2ccccc2s1 ZINC000754707485 576911667 /nfs/dbraw/zinc/91/16/67/576911667.db2.gz WPGJFGSPQMLELT-QMMMGPOBSA-N -1 1 289.364 1.569 20 0 CDADMM O=C([O-])[C@H]1CCN(CN2CCN(C3CCCC3)C2=O)C1 ZINC001601825944 1175023497 /nfs/dbraw/zinc/02/34/97/1175023497.db2.gz YQICYJCOYZGNFU-NSHDSACASA-N -1 1 281.356 1.031 20 0 CDADMM C[C@@H](CO)[C@@H](C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000095154944 598971792 /nfs/dbraw/zinc/97/17/92/598971792.db2.gz SRYNNVCPESFCOL-NKWVEPMBSA-N -1 1 282.735 1.344 20 0 CDADMM C[C@@H](CO)[C@@H](C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000095154944 598971794 /nfs/dbraw/zinc/97/17/94/598971794.db2.gz SRYNNVCPESFCOL-NKWVEPMBSA-N -1 1 282.735 1.344 20 0 CDADMM COC(C)(C)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000821673973 599067288 /nfs/dbraw/zinc/06/72/88/599067288.db2.gz QAZJPNUPKOJUQE-UHFFFAOYSA-N -1 1 299.338 1.647 20 0 CDADMM COC(C)(C)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000821673973 599067291 /nfs/dbraw/zinc/06/72/91/599067291.db2.gz QAZJPNUPKOJUQE-UHFFFAOYSA-N -1 1 299.338 1.647 20 0 CDADMM O=C([O-])c1ccc(CNc2nccn2C2CC2)nc1 ZINC001602351653 1175221643 /nfs/dbraw/zinc/22/16/43/1175221643.db2.gz CMOJMCQOIMIHRX-UHFFFAOYSA-N -1 1 258.281 1.923 20 0 CDADMM COc1cccc(NC(=O)CN2CC[C@@H](C(=O)[O-])C2)c1 ZINC000062134367 597526867 /nfs/dbraw/zinc/52/68/67/597526867.db2.gz UGDRQZXENQRNJB-SNVBAGLBSA-N -1 1 278.308 1.040 20 0 CDADMM O=C([O-])[C@H]1CCN(Cc2cc(-c3ccco3)on2)C1 ZINC000062134540 597529135 /nfs/dbraw/zinc/52/91/35/597529135.db2.gz FCKCLPWLJRDLPX-VIFPVBQESA-N -1 1 262.265 1.841 20 0 CDADMM O=C([O-])CCCN1CCN(Cc2ccco2)CC1 ZINC000098129001 597766606 /nfs/dbraw/zinc/76/66/06/597766606.db2.gz SDJJUSANACWQQP-UHFFFAOYSA-N -1 1 252.314 1.262 20 0 CDADMM COc1ccc(Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC000095299120 598384252 /nfs/dbraw/zinc/38/42/52/598384252.db2.gz IFNHKUMGEMZECA-UHFFFAOYSA-N -1 1 269.268 1.409 20 0 CDADMM COc1ccc(Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC000095299120 598384253 /nfs/dbraw/zinc/38/42/53/598384253.db2.gz IFNHKUMGEMZECA-UHFFFAOYSA-N -1 1 269.268 1.409 20 0 CDADMM CSC(C)(C)CNc1nccnc1-c1nnn[n-]1 ZINC000821950569 599358056 /nfs/dbraw/zinc/35/80/56/599358056.db2.gz OYLHCRAYTHXWIJ-UHFFFAOYSA-N -1 1 265.346 1.210 20 0 CDADMM CSC(C)(C)CNc1nccnc1-c1nn[n-]n1 ZINC000821950569 599358058 /nfs/dbraw/zinc/35/80/58/599358058.db2.gz OYLHCRAYTHXWIJ-UHFFFAOYSA-N -1 1 265.346 1.210 20 0 CDADMM CC(C)Cn1ccnc1CNc1nccnc1-c1nnn[n-]1 ZINC000820108757 599581008 /nfs/dbraw/zinc/58/10/08/599581008.db2.gz QWVXONPOHPFIOG-UHFFFAOYSA-N -1 1 299.342 1.121 20 0 CDADMM CC(C)Cn1ccnc1CNc1nccnc1-c1nn[n-]n1 ZINC000820108757 599581010 /nfs/dbraw/zinc/58/10/10/599581010.db2.gz QWVXONPOHPFIOG-UHFFFAOYSA-N -1 1 299.342 1.121 20 0 CDADMM CS[C@H]1CCCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000821956580 607386339 /nfs/dbraw/zinc/38/63/39/607386339.db2.gz RVZPORXZFMRDSM-VIFPVBQESA-N -1 1 291.384 1.379 20 0 CDADMM CS[C@H]1CCCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000821956580 607386341 /nfs/dbraw/zinc/38/63/41/607386341.db2.gz RVZPORXZFMRDSM-VIFPVBQESA-N -1 1 291.384 1.379 20 0 CDADMM CC(C)[C@@](C)(O)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820017291 599684903 /nfs/dbraw/zinc/68/49/03/599684903.db2.gz UYGWEGOXKVXTKK-LBPRGKRZSA-N -1 1 296.762 1.734 20 0 CDADMM CC(C)[C@@](C)(O)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820017291 599684904 /nfs/dbraw/zinc/68/49/04/599684904.db2.gz UYGWEGOXKVXTKK-LBPRGKRZSA-N -1 1 296.762 1.734 20 0 CDADMM CO[C@@]1(C)C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1(C)C ZINC000821678729 599687530 /nfs/dbraw/zinc/68/75/30/599687530.db2.gz RNGMHPZZXSSYOF-OQPBUACISA-N -1 1 289.343 1.272 20 0 CDADMM CO[C@@]1(C)C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1(C)C ZINC000821678729 599687531 /nfs/dbraw/zinc/68/75/31/599687531.db2.gz RNGMHPZZXSSYOF-OQPBUACISA-N -1 1 289.343 1.272 20 0 CDADMM CO[C@]1(C)C[C@H](Nc2nccnc2-c2nnn[n-]2)C1(C)C ZINC000821678728 599687573 /nfs/dbraw/zinc/68/75/73/599687573.db2.gz RNGMHPZZXSSYOF-ISVAXAHUSA-N -1 1 289.343 1.272 20 0 CDADMM CO[C@]1(C)C[C@H](Nc2nccnc2-c2nn[n-]n2)C1(C)C ZINC000821678728 599687574 /nfs/dbraw/zinc/68/75/74/599687574.db2.gz RNGMHPZZXSSYOF-ISVAXAHUSA-N -1 1 289.343 1.272 20 0 CDADMM C[C@@H]1CCc2ccccc2N1C(=O)CNC(C)(C)C(=O)[O-] ZINC000736803520 599924727 /nfs/dbraw/zinc/92/47/27/599924727.db2.gz XAVOYXGMQVOSJG-LLVKDONJSA-N -1 1 290.363 1.807 20 0 CDADMM O=C([O-])c1coc(CN(CCO)Cc2ccccc2)c1 ZINC000051330746 599962075 /nfs/dbraw/zinc/96/20/75/599962075.db2.gz QFIKVCJTUHPNGD-UHFFFAOYSA-N 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605132728 /nfs/dbraw/zinc/13/27/28/605132728.db2.gz APKQDNTZMPCZJB-GHMZBOCLSA-N -1 1 291.351 1.335 20 0 CDADMM CCN1C[C@@H](C)N(C(=O)c2ccc(C(=O)[O-])cn2)C[C@H]1C ZINC000833655166 605132729 /nfs/dbraw/zinc/13/27/29/605132729.db2.gz APKQDNTZMPCZJB-GHMZBOCLSA-N -1 1 291.351 1.335 20 0 CDADMM CCN1C[C@H](C)N(C(=O)[C@@H](C)CC(=O)[O-])C[C@H]1C ZINC000833655635 605133705 /nfs/dbraw/zinc/13/37/05/605133705.db2.gz FRLUUNIJCXBGTM-AXFHLTTASA-N -1 1 256.346 1.038 20 0 CDADMM CC(C)(C)C[C@@H](OC(=O)CCc1nc[nH]n1)C(=O)[O-] ZINC000833428823 605235433 /nfs/dbraw/zinc/23/54/33/605235433.db2.gz ZENXGEOEGPXXAO-MRVPVSSYSA-N -1 1 269.301 1.170 20 0 CDADMM CC(C)C[C@H](NC(=O)CN[C@H](C)c1cccnc1)C(=O)[O-] ZINC000833482393 605795334 /nfs/dbraw/zinc/79/53/34/605795334.db2.gz PRVMWDYQVRYVLU-YPMHNXCESA-N -1 1 293.367 1.348 20 0 CDADMM CSCCCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000821960668 606295468 /nfs/dbraw/zinc/29/54/68/606295468.db2.gz CPKWDDGTQRVFJK-UHFFFAOYSA-N -1 1 293.352 1.654 20 0 CDADMM C[C@@H](Sc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H](C)O ZINC000820467838 606470078 /nfs/dbraw/zinc/47/00/78/606470078.db2.gz NHJGMEHAFITPIL-NTSWFWBYSA-N -1 1 285.760 1.777 20 0 CDADMM C[C@@H](Sc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H](C)O ZINC000820467838 606470080 /nfs/dbraw/zinc/47/00/80/606470080.db2.gz NHJGMEHAFITPIL-NTSWFWBYSA-N -1 1 285.760 1.777 20 0 CDADMM CN(CC1CC1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821596841 606514731 /nfs/dbraw/zinc/51/47/31/606514731.db2.gz WPQOGVDADQSPGY-UHFFFAOYSA-N -1 1 263.326 1.410 20 0 CDADMM CN(CC1CC1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821596841 606514732 /nfs/dbraw/zinc/51/47/32/606514732.db2.gz WPQOGVDADQSPGY-UHFFFAOYSA-N -1 1 263.326 1.410 20 0 CDADMM CC[C@@H](C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820859840 606518203 /nfs/dbraw/zinc/51/82/03/606518203.db2.gz GSQOUFYWBBHSBS-MRVPVSSYSA-N -1 1 261.285 1.351 20 0 CDADMM CC[C@@H](C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820859840 606518205 /nfs/dbraw/zinc/51/82/05/606518205.db2.gz GSQOUFYWBBHSBS-MRVPVSSYSA-N -1 1 261.285 1.351 20 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20 0 CDADMM CN(c1cccc(-c2nnn[n-]2)n1)[C@@H]1CCSC1 ZINC000095295375 607905172 /nfs/dbraw/zinc/90/51/72/607905172.db2.gz JPVKAUXKCWQUAA-MRVPVSSYSA-N -1 1 262.342 1.203 20 0 CDADMM CN(c1cccc(-c2nn[n-]n2)n1)[C@@H]1CCSC1 ZINC000095295375 607905173 /nfs/dbraw/zinc/90/51/73/607905173.db2.gz JPVKAUXKCWQUAA-MRVPVSSYSA-N -1 1 262.342 1.203 20 0 CDADMM COc1cccnc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000826220948 608112260 /nfs/dbraw/zinc/11/22/60/608112260.db2.gz HWJNGVLIICDUGO-UHFFFAOYSA-N -1 1 288.336 1.944 20 0 CDADMM c1ccc2c(c1)C[C@@H](CNc1ccc(-c3nnn[n-]3)nn1)O2 ZINC000826523693 608397696 /nfs/dbraw/zinc/39/76/96/608397696.db2.gz UIFYBMZHTBXAAO-JTQLQIEISA-N -1 1 295.306 1.072 20 0 CDADMM c1ccc2c(c1)C[C@@H](CNc1ccc(-c3nn[n-]n3)nn1)O2 ZINC000826523693 608397698 /nfs/dbraw/zinc/39/76/98/608397698.db2.gz UIFYBMZHTBXAAO-JTQLQIEISA-N -1 1 295.306 1.072 20 0 CDADMM c1ccc2c(c1)CC(CNc1ccc(-c3nnn[n-]3)nn1)C2 ZINC000826523146 608420570 /nfs/dbraw/zinc/42/05/70/608420570.db2.gz CBXLVLIRJJBBDC-UHFFFAOYSA-N -1 1 293.334 1.484 20 0 CDADMM c1ccc2c(c1)CC(CNc1ccc(-c3nn[n-]n3)nn1)C2 ZINC000826523146 608420573 /nfs/dbraw/zinc/42/05/73/608420573.db2.gz CBXLVLIRJJBBDC-UHFFFAOYSA-N -1 1 293.334 1.484 20 0 CDADMM CC(C)Cn1cc(Nc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC000824280643 608426063 /nfs/dbraw/zinc/42/60/63/608426063.db2.gz RYKCYVWINBSDJL-UHFFFAOYSA-N -1 1 285.315 1.253 20 0 CDADMM CC(C)Cn1cc(Nc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC000824280643 608426065 /nfs/dbraw/zinc/42/60/65/608426065.db2.gz RYKCYVWINBSDJL-UHFFFAOYSA-N -1 1 285.315 1.253 20 0 CDADMM c1c[nH]c([C@H]2CCCCN2Cc2ccc(-c3nnn[n-]3)o2)n1 ZINC000826512362 608659095 /nfs/dbraw/zinc/65/90/95/608659095.db2.gz YDLCWBXBJOJBCR-LLVKDONJSA-N -1 1 299.338 1.910 20 0 CDADMM c1c[nH]c([C@H]2CCCCN2Cc2ccc(-c3nn[n-]n3)o2)n1 ZINC000826512362 608659098 /nfs/dbraw/zinc/65/90/98/608659098.db2.gz YDLCWBXBJOJBCR-LLVKDONJSA-N -1 1 299.338 1.910 20 0 CDADMM C[C@@H]1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC000824914968 609389297 /nfs/dbraw/zinc/38/92/97/609389297.db2.gz ATSOQORMMJZXNM-YGRLFVJLSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@@H]1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC000824914968 609389299 /nfs/dbraw/zinc/38/92/99/609389299.db2.gz ATSOQORMMJZXNM-YGRLFVJLSA-N -1 1 285.355 1.673 20 0 CDADMM Cc1cccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1F ZINC000826300473 609621851 /nfs/dbraw/zinc/62/18/51/609621851.db2.gz WHSFKYGHLXLQBG-UHFFFAOYSA-N -1 1 299.265 1.928 20 0 CDADMM Cc1cccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1F ZINC000826300473 609621853 /nfs/dbraw/zinc/62/18/53/609621853.db2.gz WHSFKYGHLXLQBG-UHFFFAOYSA-N -1 1 299.265 1.928 20 0 CDADMM COC(=O)C[C@@H]1CC[C@H](NC(=O)c2cncc([O-])c2)C1 ZINC000891298930 617407331 /nfs/dbraw/zinc/40/73/31/617407331.db2.gz SENCRDXJBAJQDH-KOLCDFICSA-N -1 1 278.308 1.249 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@]12CCOC2=O ZINC000779252178 617414230 /nfs/dbraw/zinc/41/42/30/617414230.db2.gz HGNCBXBSZGTQSC-CQSZACIVSA-N -1 1 279.267 1.453 20 0 CDADMM CCCC(=O)N1CC(N(CC)C(=O)c2ncccc2[O-])C1 ZINC000967898783 614727199 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286.295 1.309 20 0 CDADMM Cc1ccc(NC[C@@H](O)c2ccco2)nc1-c1nn[n-]n1 ZINC001605874112 1163703067 /nfs/dbraw/zinc/70/30/67/1163703067.db2.gz JHEGJXWQLMEGHN-SECBINFHSA-N -1 1 286.295 1.309 20 0 CDADMM Cc1ccnc(N[C@H]2CCc3c[nH+]cn3C2)c1-c1nn[nH]n1 ZINC001605959162 1163726938 /nfs/dbraw/zinc/72/69/38/1163726938.db2.gz ZPYCVQQLNQTKNQ-JTQLQIEISA-N -1 1 296.338 1.194 20 0 CDADMM Cc1cscc1CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001606006526 1163742657 /nfs/dbraw/zinc/74/26/57/1163742657.db2.gz HEBLHJPXVJRWEU-UHFFFAOYSA-N -1 1 289.320 1.760 20 0 CDADMM Cc1cscc1CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001606006526 1163742666 /nfs/dbraw/zinc/74/26/66/1163742666.db2.gz HEBLHJPXVJRWEU-UHFFFAOYSA-N -1 1 289.320 1.760 20 0 CDADMM Cc1[nH]nc(NC[C@H]2CCSC2)c1-c1nnn[n-]1 ZINC001606014415 1163744775 /nfs/dbraw/zinc/74/47/75/1163744775.db2.gz WWJFWYGAYOZFLI-SSDOTTSWSA-N -1 1 265.346 1.063 20 0 CDADMM Cc1[nH]nc(NC[C@H]2CCSC2)c1-c1nn[n-]n1 ZINC001606014415 1163744781 /nfs/dbraw/zinc/74/47/81/1163744781.db2.gz WWJFWYGAYOZFLI-SSDOTTSWSA-N -1 1 265.346 1.063 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cncc(F)c1 ZINC001606169022 1163795788 /nfs/dbraw/zinc/79/57/88/1163795788.db2.gz CXWULDYASJDTAE-UHFFFAOYSA-N -1 1 288.242 1.555 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cncc(F)c1 ZINC001606169022 1163795794 /nfs/dbraw/zinc/79/57/94/1163795794.db2.gz CXWULDYASJDTAE-UHFFFAOYSA-N -1 1 288.242 1.555 20 0 CDADMM F[C@@H]1CCC[C@@H](Nc2cccnc2-c2nnn[n-]2)C1 ZINC001606299927 1163846855 /nfs/dbraw/zinc/84/68/55/1163846855.db2.gz MIGJURDKUWNKRR-RKDXNWHRSA-N -1 1 262.292 1.954 20 0 CDADMM F[C@@H]1CCC[C@@H](Nc2cccnc2-c2nn[n-]n2)C1 ZINC001606299927 1163846858 /nfs/dbraw/zinc/84/68/58/1163846858.db2.gz MIGJURDKUWNKRR-RKDXNWHRSA-N -1 1 262.292 1.954 20 0 CDADMM Fc1ccc(CNc2cncc(-c3nnn[n-]3)n2)cc1F ZINC001606319563 1163857174 /nfs/dbraw/zinc/85/71/74/1163857174.db2.gz RDKRJSLPKDWZJT-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM Fc1ccc(CNc2cncc(-c3nn[n-]n3)n2)cc1F ZINC001606319563 1163857184 /nfs/dbraw/zinc/85/71/84/1163857184.db2.gz RDKRJSLPKDWZJT-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM O=C(NC1(C2CCC2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606640489 1163944928 /nfs/dbraw/zinc/94/49/28/1163944928.db2.gz DWNQHWIXVTZNKA-UHFFFAOYSA-N -1 1 284.323 1.324 20 0 CDADMM O=C(NC1(C2CCC2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606640489 1163944931 /nfs/dbraw/zinc/94/49/31/1163944931.db2.gz DWNQHWIXVTZNKA-UHFFFAOYSA-N -1 1 284.323 1.324 20 0 CDADMM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606663219 1163951915 /nfs/dbraw/zinc/95/19/15/1163951915.db2.gz LVRKSMZLEFDNJZ-FBIMIBRVSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606663219 1163951923 /nfs/dbraw/zinc/95/19/23/1163951923.db2.gz LVRKSMZLEFDNJZ-FBIMIBRVSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CCCCS1 ZINC001606953120 1164037455 /nfs/dbraw/zinc/03/74/55/1164037455.db2.gz OQKYPMKMIFOGTG-ZCFIWIBFSA-N -1 1 296.381 1.547 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CCCCS1 ZINC001606953120 1164037461 /nfs/dbraw/zinc/03/74/61/1164037461.db2.gz OQKYPMKMIFOGTG-ZCFIWIBFSA-N -1 1 296.381 1.547 20 0 CDADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H]1C[C@H]1F ZINC001606949679 1164037796 /nfs/dbraw/zinc/03/77/96/1164037796.db2.gz IMFFQIJBSVWTGB-PWNYCUMCSA-N -1 1 288.695 1.273 20 0 CDADMM O=C(OCc1cnccn1)c1csc(-c2nnn[n-]2)c1 ZINC001606984917 1164049071 /nfs/dbraw/zinc/04/90/71/1164049071.db2.gz NGLYNZJMZZDTNW-UHFFFAOYSA-N -1 1 288.292 1.075 20 0 CDADMM O=C(OCc1cnccn1)c1csc(-c2nn[n-]n2)c1 ZINC001606984917 1164049077 /nfs/dbraw/zinc/04/90/77/1164049077.db2.gz NGLYNZJMZZDTNW-UHFFFAOYSA-N -1 1 288.292 1.075 20 0 CDADMM c1cnc2cc(Oc3cc(-c4nnn[n-]4)ncn3)ccc2n1 ZINC001607137061 1164116824 /nfs/dbraw/zinc/11/68/24/1164116824.db2.gz GLPARLHOMMNFLU-UHFFFAOYSA-N -1 1 292.262 1.392 20 0 CDADMM c1cnc2cc(Oc3cc(-c4nn[n-]n4)ncn3)ccc2n1 ZINC001607137061 1164116831 /nfs/dbraw/zinc/11/68/31/1164116831.db2.gz GLPARLHOMMNFLU-UHFFFAOYSA-N -1 1 292.262 1.392 20 0 CDADMM c1cc2c(cc1Nc1ncncc1-c1nn[n-]n1)OCCO2 ZINC001607138748 1164120799 /nfs/dbraw/zinc/12/07/99/1164120799.db2.gz JVIRWYHNIDOBBL-UHFFFAOYSA-N -1 1 297.278 1.172 20 0 CDADMM Cc1c(C(=O)[O-])cc(CNCc2ccncc2N)n1C ZINC001607516964 1164216264 /nfs/dbraw/zinc/21/62/64/1164216264.db2.gz KIQJVVCBRZHSST-UHFFFAOYSA-N -1 1 274.324 1.299 20 0 CDADMM Cc1ccc(C[N@H+](C)C[C@@H](C)C(=O)[O-])cc1C(=O)[O-] ZINC001607777122 1164291229 /nfs/dbraw/zinc/29/12/29/1164291229.db2.gz ATTZGCGXFFHMMV-SNVBAGLBSA-N -1 1 265.309 1.846 20 0 CDADMM Cc1cccc2nc(CN3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)cn21 ZINC001607868358 1164316795 /nfs/dbraw/zinc/31/67/95/1164316795.db2.gz DRYSBJBCVMBTBL-IMRBUKKESA-N -1 1 271.320 1.405 20 0 CDADMM Cc1ccsc1C(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001607899349 1164326890 /nfs/dbraw/zinc/32/68/90/1164326890.db2.gz OQSOEXMGPUTUQW-SNVBAGLBSA-N -1 1 282.365 1.145 20 0 CDADMM Cc1nnc(CN2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)[nH]1 ZINC001607936856 1164344653 /nfs/dbraw/zinc/34/46/53/1164344653.db2.gz OPJNCIRLLBDUNU-CHWSQXEVSA-N -1 1 286.335 1.413 20 0 CDADMM Cc1[nH]nc(CNC(=O)c2cc(F)cc(C(=O)[O-])c2)c1C ZINC001607937585 1164345724 /nfs/dbraw/zinc/34/57/24/1164345724.db2.gz ZZOOJSSVCILGNF-UHFFFAOYSA-N -1 1 291.282 1.794 20 0 CDADMM Cn1c(CN2CCC3=C(CCC(=O)N3)C2)ccc1C(=O)[O-] ZINC001608088354 1164404916 /nfs/dbraw/zinc/40/49/16/1164404916.db2.gz ZHCVHUAFUPTGPQ-UHFFFAOYSA-N -1 1 289.335 1.093 20 0 CDADMM O=C([O-])[C@H](C[C@@H]1CCCO1)NCc1cc2cccnc2o1 ZINC001608533686 1164535287 /nfs/dbraw/zinc/53/52/87/1164535287.db2.gz WXYKERMRFRYPLN-AAEUAGOBSA-N -1 1 290.319 1.940 20 0 CDADMM O=C([O-])[C@@H](c1cccnc1)N1CCOC2(CCOCC2)C1 ZINC001608563658 1164548617 /nfs/dbraw/zinc/54/86/17/1164548617.db2.gz ZEEHELVPSBDLRB-CYBMUJFWSA-N -1 1 292.335 1.089 20 0 CDADMM O=C([O-])C1=NO[C@@]2(CCN(CCOCC3CCCC3)C2)C1 ZINC001608589872 1164559533 /nfs/dbraw/zinc/55/95/33/1164559533.db2.gz UMQFCALYLQIVCU-HNNXBMFYSA-N -1 1 296.367 1.499 20 0 CDADMM O=C([O-])C1CCN(C(=O)c2coc([C@@H]3CCCN3)n2)CC1 ZINC001608633678 1164581771 /nfs/dbraw/zinc/58/17/71/1164581771.db2.gz ZFKYBBZNJRXVOQ-JTQLQIEISA-N -1 1 293.323 1.036 20 0 CDADMM O=C([O-])[C@H]1CSCCN1C(=O)c1cccc2c[nH]nc21 ZINC001608650700 1164591404 /nfs/dbraw/zinc/59/14/04/1164591404.db2.gz XRAKWOBUUJXCFI-SNVBAGLBSA-N -1 1 291.332 1.205 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(Cn3cnc(-c4ccccc4)n3)C[C@@H]21 ZINC001608817177 1164648390 /nfs/dbraw/zinc/64/83/90/1164648390.db2.gz DBDCWQLBTOBCJW-ITGUQSILSA-N -1 1 284.319 1.165 20 0 CDADMM O=C([O-])c1ccc(CN(CCO)C2CC2)c(F)c1 ZINC001608880480 1164671158 /nfs/dbraw/zinc/67/11/58/1164671158.db2.gz OYFUIJSWEYZRBH-UHFFFAOYSA-N -1 1 253.273 1.481 20 0 CDADMM O=C([O-])c1ccc(CN[C@@H]2COc3ccccc3[C@@H]2O)o1 ZINC001608886065 1164676235 /nfs/dbraw/zinc/67/62/35/1164676235.db2.gz HESUBZQOWRUQDS-RISCZKNCSA-N -1 1 289.287 1.562 20 0 CDADMM CC(C)C[C@H](C)Cn1cnc(-c2nn[n-]n2)cc1=O ZINC001609093116 1164765334 /nfs/dbraw/zinc/76/53/34/1164765334.db2.gz POFRFNBNWAIVAN-VIFPVBQESA-N -1 1 262.317 1.106 20 0 CDADMM C[C@H](CCc1cccn1C)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001609112273 1164777068 /nfs/dbraw/zinc/77/70/68/1164777068.db2.gz ZRKULEKHEKQQBD-LLVKDONJSA-N -1 1 297.366 1.455 20 0 CDADMM C[C@H](CCc1cccn1C)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001609112273 1164777075 /nfs/dbraw/zinc/77/70/75/1164777075.db2.gz ZRKULEKHEKQQBD-LLVKDONJSA-N -1 1 297.366 1.455 20 0 CDADMM C[C@@H](NC(=O)c1csc(-c2nn[n-]n2)c1)[C@@H]1CCOC1 ZINC001609122727 1164779795 /nfs/dbraw/zinc/77/97/95/1164779795.db2.gz NOVSZSVSBQCIBE-HTQZYQBOSA-N -1 1 293.352 1.083 20 0 CDADMM C[C@]1(CNc2cc(-c3nnn[n-]3)ncn2)CCCC[C@@H]1O ZINC001609149368 1164795654 /nfs/dbraw/zinc/79/56/54/1164795654.db2.gz KSHZTNHHFRXYKV-GXFFZTMASA-N -1 1 289.343 1.010 20 0 CDADMM C[C@]1(CNc2cc(-c3nn[n-]n3)ncn2)CCCC[C@@H]1O ZINC001609149368 1164795660 /nfs/dbraw/zinc/79/56/60/1164795660.db2.gz KSHZTNHHFRXYKV-GXFFZTMASA-N -1 1 289.343 1.010 20 0 CDADMM CCN(C(=O)c1cccc(-c2nnn[n-]2)n1)c1ccncc1 ZINC001609220410 1164852128 /nfs/dbraw/zinc/85/21/28/1164852128.db2.gz UOVVDNGQSJDJLP-UHFFFAOYSA-N -1 1 295.306 1.323 20 0 CDADMM CCN(C(=O)c1cccc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001609220410 1164852131 /nfs/dbraw/zinc/85/21/31/1164852131.db2.gz UOVVDNGQSJDJLP-UHFFFAOYSA-N -1 1 295.306 1.323 20 0 CDADMM CCn1nccc1CNc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001609260331 1164868734 /nfs/dbraw/zinc/86/87/34/1164868734.db2.gz VUAVGLDJPWIRBJ-UHFFFAOYSA-N -1 1 299.342 1.296 20 0 CDADMM CCn1nccc1CNc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001609260331 1164868739 /nfs/dbraw/zinc/86/87/39/1164868739.db2.gz VUAVGLDJPWIRBJ-UHFFFAOYSA-N -1 1 299.342 1.296 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC(C)(C)[C@H]2C2CC2)n1 ZINC001609391535 1164924063 /nfs/dbraw/zinc/92/40/63/1164924063.db2.gz MLQKJOYNGQVZDR-LLVKDONJSA-N -1 1 285.355 1.590 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC(C)(C)[C@H]2C2CC2)n1 ZINC001609391535 1164924076 /nfs/dbraw/zinc/92/40/76/1164924076.db2.gz MLQKJOYNGQVZDR-LLVKDONJSA-N -1 1 285.355 1.590 20 0 CDADMM Cc1ccc(Oc2cccc(F)c2-c2nnn[n-]2)c[n+]1[O-] ZINC001609427955 1164942257 /nfs/dbraw/zinc/94/22/57/1164942257.db2.gz UOTYEGZDBZZSCX-UHFFFAOYSA-N -1 1 287.254 1.740 20 0 CDADMM Cc1ccc(Oc2cccc(F)c2-c2nn[n-]n2)c[n+]1[O-] ZINC001609427955 1164942261 /nfs/dbraw/zinc/94/22/61/1164942261.db2.gz UOTYEGZDBZZSCX-UHFFFAOYSA-N -1 1 287.254 1.740 20 0 CDADMM Cc1cccnc1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609437688 1164944790 /nfs/dbraw/zinc/94/47/90/1164944790.db2.gz TZQLBGIBGIDOGT-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1cccnc1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609437688 1164944796 /nfs/dbraw/zinc/94/47/96/1164944796.db2.gz TZQLBGIBGIDOGT-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1ncc(COc2cccnc2-c2nnn[n-]2)s1 ZINC001609455883 1164957819 /nfs/dbraw/zinc/95/78/19/1164957819.db2.gz RBFGCQDOSLCPGS-UHFFFAOYSA-N -1 1 274.309 1.606 20 0 CDADMM Cc1ncc(COc2cccnc2-c2nn[n-]n2)s1 ZINC001609455883 1164957825 /nfs/dbraw/zinc/95/78/25/1164957825.db2.gz RBFGCQDOSLCPGS-UHFFFAOYSA-N -1 1 274.309 1.606 20 0 CDADMM Cc1occc1CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609470761 1164963907 /nfs/dbraw/zinc/96/39/07/1164963907.db2.gz RHLJDUPRGYXPAK-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1occc1CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609470761 1164963911 /nfs/dbraw/zinc/96/39/11/1164963911.db2.gz RHLJDUPRGYXPAK-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM O=C(N[C@@H]1CC12CCCC2)c1ccc(-c2nnn[n-]2)s1 ZINC001609540324 1164984722 /nfs/dbraw/zinc/98/47/22/1164984722.db2.gz WOWRMOJUEMATDB-SNVBAGLBSA-N -1 1 289.364 1.991 20 0 CDADMM O=C(N[C@@H]1CC12CCCC2)c1ccc(-c2nn[n-]n2)s1 ZINC001609540324 1164984729 /nfs/dbraw/zinc/98/47/29/1164984729.db2.gz WOWRMOJUEMATDB-SNVBAGLBSA-N -1 1 289.364 1.991 20 0 CDADMM O=C(OCCc1ccccc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609575237 1164993627 /nfs/dbraw/zinc/99/36/27/1164993627.db2.gz ZQEALHSEKYTKEX-UHFFFAOYSA-N -1 1 295.302 1.661 20 0 CDADMM O=C(OCCc1ccccc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609575237 1164993633 /nfs/dbraw/zinc/99/36/33/1164993633.db2.gz ZQEALHSEKYTKEX-UHFFFAOYSA-N -1 1 295.302 1.661 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N2CCC[C@H](C3CC3)C2)c1 ZINC001609619440 1165014576 /nfs/dbraw/zinc/01/45/76/1165014576.db2.gz RSTDZBYLIGOUSX-NSHDSACASA-N -1 1 270.340 1.888 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N2CCC[C@H](C3CC3)C2)c1 ZINC001609619440 1165014581 /nfs/dbraw/zinc/01/45/81/1165014581.db2.gz RSTDZBYLIGOUSX-NSHDSACASA-N -1 1 270.340 1.888 20 0 CDADMM C[C@H](Cc1cccc(F)c1)N(C)CC(=O)NCCC(=O)[O-] ZINC001609752106 1165067094 /nfs/dbraw/zinc/06/70/94/1165067094.db2.gz AYEBYYYFSNECDI-LLVKDONJSA-N -1 1 296.342 1.279 20 0 CDADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1CN1C[C@H](CC(C)(C)C)OC1=O ZINC001609834826 1165103118 /nfs/dbraw/zinc/10/31/18/1165103118.db2.gz QUYXKMQVVQIVFI-WOPDTQHZSA-N -1 1 298.383 1.996 20 0 CDADMM C/C=C(/C=C/C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)CC ZINC001609881143 1165128233 /nfs/dbraw/zinc/12/82/33/1165128233.db2.gz MNBBBTGKPMYJRW-AEYSJWOYSA-N -1 1 294.395 1.906 20 0 CDADMM COc1ccc(C(=O)[O-])c(NC(=O)N2CCN[C@H](C)C2)c1 ZINC001610315989 1165288695 /nfs/dbraw/zinc/28/86/95/1165288695.db2.gz DLZNNPUWQUYEBR-SECBINFHSA-N -1 1 293.323 1.219 20 0 CDADMM O=C([O-])[C@@H]1CCCC[C@@H]1NCc1nc(C(F)F)no1 ZINC001610801410 1165447030 /nfs/dbraw/zinc/44/70/30/1165447030.db2.gz LJMJPAQEKPBVNZ-RQJHMYQMSA-N -1 1 275.255 1.740 20 0 CDADMM O=C([O-])c1cnoc1CN1CCOCC2(CCOCC2)C1 ZINC001610864759 1165466377 /nfs/dbraw/zinc/46/63/77/1165466377.db2.gz NJDUGLBFDXVKQS-UHFFFAOYSA-N -1 1 296.323 1.002 20 0 CDADMM O=C([O-])c1ccc(COC(=O)c2ccc3cncn3c2)o1 ZINC001610880485 1165473618 /nfs/dbraw/zinc/47/36/18/1165473618.db2.gz VKGGVPVLCJXCLE-UHFFFAOYSA-N -1 1 286.243 1.983 20 0 CDADMM CN(C)c1cc(C(=O)N(C)c2nn[n-]n2)nc2ccccc21 ZINC001617642957 1165603587 /nfs/dbraw/zinc/60/35/87/1165603587.db2.gz XLPDWSJYLJIACZ-UHFFFAOYSA-N -1 1 297.322 1.091 20 0 CDADMM Cc1c[nH]ccc1=NC(=O)c1cc(-n2ccnc2)ccc1[O-] ZINC001627293282 1165988906 /nfs/dbraw/zinc/98/89/06/1165988906.db2.gz JETDUBJVIUSAKA-UHFFFAOYSA-N -1 1 294.314 1.956 20 0 CDADMM O=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc([O-])c1F ZINC001629011887 1166109836 /nfs/dbraw/zinc/10/98/36/1166109836.db2.gz CZRCBMCCAHVDEW-UHFFFAOYSA-N -1 1 299.265 1.964 20 0 CDADMM O=C(CCCc1nn[n-]n1)Nc1cccc(-n2cccn2)c1 ZINC001630086511 1166183293 /nfs/dbraw/zinc/18/32/93/1166183293.db2.gz KGVPVXIUZXMPOL-UHFFFAOYSA-N -1 1 297.322 1.347 20 0 CDADMM Cc1ccc(Nc2cnc(-c3nn[n-]n3)cn2)cc1F ZINC000095324104 1166620055 /nfs/dbraw/zinc/62/00/55/1166620055.db2.gz VGWPPRRGZUPZBO-UHFFFAOYSA-N -1 1 271.259 1.848 20 0 CDADMM Cc1ccc(Nc2cnc(-c3nnn[n-]3)cn2)cc1F ZINC000095324104 1166620049 /nfs/dbraw/zinc/62/00/49/1166620049.db2.gz VGWPPRRGZUPZBO-UHFFFAOYSA-N -1 1 271.259 1.848 20 0 CDADMM Cc1ccc(CN(C)c2cnc(-c3nnn[n-]3)cn2)o1 ZINC000095324607 1166623042 /nfs/dbraw/zinc/62/30/42/1166623042.db2.gz WKTJOABCDDOFCE-UHFFFAOYSA-N -1 1 271.284 1.195 20 0 CDADMM Cc1ccc(CN(C)c2cnc(-c3nn[n-]n3)cn2)o1 ZINC000095324607 1166623045 /nfs/dbraw/zinc/62/30/45/1166623045.db2.gz WKTJOABCDDOFCE-UHFFFAOYSA-N -1 1 271.284 1.195 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1onc2ccccc21 ZINC001637957473 1166805718 /nfs/dbraw/zinc/80/57/18/1166805718.db2.gz JVMLGZNGIWVUMY-UHFFFAOYSA-N -1 1 258.237 1.817 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cccc(Nc2ncccn2)c1 ZINC001638735376 1166868027 /nfs/dbraw/zinc/86/80/27/1166868027.db2.gz FZAVGHYDBXPMFC-UHFFFAOYSA-N -1 1 296.290 1.901 20 0 CDADMM Cn1nnc(NC(=O)c2ccc3ccc(O)cc3c2[O-])n1 ZINC001640807707 1167051102 /nfs/dbraw/zinc/05/11/02/1167051102.db2.gz UPYCGQZWUYRPFP-UHFFFAOYSA-N -1 1 285.263 1.027 20 0 CDADMM O=C(NC1(c2cccnn2)CC1)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155269348 1167110489 /nfs/dbraw/zinc/11/04/89/1167110489.db2.gz AUISEMQYBZRINW-UHFFFAOYSA-N -1 1 295.302 1.478 20 0 CDADMM Cc1cnc(=O)[nH]c1NC(=O)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155269985 1167112934 /nfs/dbraw/zinc/11/29/34/1167112934.db2.gz WVOYPKIUSSRNHU-UHFFFAOYSA-N -1 1 285.263 1.325 20 0 CDADMM O=C(NC1(c2ncccn2)CC1)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155272930 1167113086 /nfs/dbraw/zinc/11/30/86/1167113086.db2.gz CRAJOMPPZSLYGR-UHFFFAOYSA-N -1 1 295.302 1.478 20 0 CDADMM Cn1ccc2c1cccc2C(=O)Nc1c[n-][nH]c1=O ZINC001641598221 1167123268 /nfs/dbraw/zinc/12/32/68/1167123268.db2.gz PDOFNQOPMZUSSW-UHFFFAOYSA-N -1 1 256.265 1.859 20 0 CDADMM NC(=O)c1cc(NC(=O)c2cncc([O-])c2)cs1 ZINC001641714512 1167130249 /nfs/dbraw/zinc/13/02/49/1167130249.db2.gz CZNIOACQCHXEEY-UHFFFAOYSA-N -1 1 263.278 1.200 20 0 CDADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1nnc2ccccn21 ZINC001155376188 1167146767 /nfs/dbraw/zinc/14/67/67/1167146767.db2.gz DNMJDOKYVSONCD-UHFFFAOYSA-N -1 1 297.200 1.119 20 0 CDADMM O=C(CCc1ncc[nH]1)Nc1cc([O-])c(F)cc1F ZINC001642154730 1167157277 /nfs/dbraw/zinc/15/72/77/1167157277.db2.gz ORBNJQLBDAKHFD-UHFFFAOYSA-N -1 1 267.235 1.965 20 0 CDADMM O=C([N-]N1CCCC1=O)c1ccncc1Br ZINC001645680871 1167464259 /nfs/dbraw/zinc/46/42/59/1167464259.db2.gz KIAZIZPWQXMNRF-UHFFFAOYSA-N -1 1 284.113 1.111 20 0 CDADMM CC[C@H](C(=O)[O-])C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC001604879101 1167870885 /nfs/dbraw/zinc/87/08/85/1167870885.db2.gz NDCAMUFKSJNRSK-NSHDSACASA-N -1 1 282.315 1.937 20 0 CDADMM C/C=C(/CC)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001609882207 1167968947 /nfs/dbraw/zinc/96/89/47/1167968947.db2.gz QYXJNFSCERZMLB-GFLSPSCZSA-N -1 1 268.357 1.350 20 0 CDADMM CCCN1CCCC[C@H]1C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC001647241716 1168482273 /nfs/dbraw/zinc/48/22/73/1168482273.db2.gz QMNZDIIDMNFIMB-LBPRGKRZSA-N -1 1 294.355 1.171 20 0 CDADMM CCS(=O)(=O)[N-]c1cc(-c2cn[nH]c2)ccc1OC ZINC001647248215 1168488902 /nfs/dbraw/zinc/48/89/02/1168488902.db2.gz ORKGRVCIKMYICC-UHFFFAOYSA-N -1 1 281.337 1.847 20 0 CDADMM CCO[C@@H](C)c1ncc(C(=O)N(C)c2nn[n-]n2)s1 ZINC001647403022 1168649067 /nfs/dbraw/zinc/64/90/67/1168649067.db2.gz WSRAPGZLQPMIKJ-LURJTMIESA-N -1 1 282.329 1.030 20 0 CDADMM CCC[C@H](NC(=O)[C@H](C)OC1CCCCC1)c1nn[n-]n1 ZINC001649720909 1169307749 /nfs/dbraw/zinc/30/77/49/1169307749.db2.gz QYRZNYUDISSFHE-JQWIXIFHSA-N -1 1 295.387 1.895 20 0 CDADMM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cnc(C2CC2)[nH]1 ZINC001649840144 1169420992 /nfs/dbraw/zinc/42/09/92/1169420992.db2.gz SNQNWTRHNCRXTC-WPRPVWTQSA-N -1 1 277.324 1.612 20 0 CDADMM CNc1ccc(C)cc1C[NH2+][C@H](C)c1nc(C(=O)[O-])n[n-]1 ZINC001573910666 1170826280 /nfs/dbraw/zinc/82/62/80/1170826280.db2.gz RHRYUSIONOXWKK-SECBINFHSA-N -1 1 289.339 1.704 20 0 CDADMM C[C@H](NCc1cn(C)nc1C(=O)[O-])c1cncc(F)c1 ZINC001574107367 1170882630 /nfs/dbraw/zinc/88/26/30/1170882630.db2.gz DSNDQZVQZGBOAW-QMMMGPOBSA-N -1 1 278.287 1.503 20 0 CDADMM O=C([O-])c1cnn2cc(CN3CCC[C@H](CF)C3)cnc12 ZINC001574423635 1170979543 /nfs/dbraw/zinc/97/95/43/1170979543.db2.gz XGBNEONUHZOUNT-SNVBAGLBSA-N -1 1 292.314 1.609 20 0 CDADMM CC(C)CN(C)c1nnc(Cc2nnn[n-]2)n1CC(C)C ZINC001650450519 1171084772 /nfs/dbraw/zinc/08/47/72/1171084772.db2.gz NFASGDWRIAZTPU-UHFFFAOYSA-N -1 1 292.391 1.130 20 0 CDADMM CC(C)CN(C)c1nnc(Cc2nn[n-]n2)n1CC(C)C ZINC001650450519 1171084781 /nfs/dbraw/zinc/08/47/81/1171084781.db2.gz NFASGDWRIAZTPU-UHFFFAOYSA-N -1 1 292.391 1.130 20 0 CDADMM C[C@H](C(=O)N1CC[C@@H](c2nn[n-]n2)C1)c1cccc(O)c1 ZINC001650582430 1171206772 /nfs/dbraw/zinc/20/67/72/1171206772.db2.gz MCICOWMDNUNTPF-GXSJLCMTSA-N -1 1 287.323 1.025 20 0 CDADMM O=C(Cc1c[nH]c2ccccc12)Nc1c[n-][nH]c1=O ZINC001651044482 1171280700 /nfs/dbraw/zinc/28/07/00/1171280700.db2.gz LLZIZIBGRIUKAQ-UHFFFAOYSA-N -1 1 256.265 1.778 20 0 CDADMM O=C(CSCC(F)(F)F)Nc1c[n-][nH]c1=O ZINC001651044369 1171281798 /nfs/dbraw/zinc/28/17/98/1171281798.db2.gz GITIZIQSQFDOSD-UHFFFAOYSA-N -1 1 255.221 1.349 20 0 CDADMM CCC(CC)CC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001576755435 1171507818 /nfs/dbraw/zinc/50/78/18/1171507818.db2.gz FDDNWRAHXSZLHI-UHFFFAOYSA-N -1 1 288.355 1.704 20 0 CDADMM CCC(CC)CC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001576755435 1171507823 /nfs/dbraw/zinc/50/78/23/1171507823.db2.gz FDDNWRAHXSZLHI-UHFFFAOYSA-N -1 1 288.355 1.704 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001654603336 1171625015 /nfs/dbraw/zinc/62/50/15/1171625015.db2.gz JYYZPVBPVNGDSQ-UHFFFAOYSA-N -1 1 260.253 1.346 20 0 CDADMM Cc1cnc(C(=O)N[C@H]2CNc3ccccc3C2)c([O-])c1 ZINC001579819983 1172272624 /nfs/dbraw/zinc/27/26/24/1172272624.db2.gz WZYZPDOELGYDEY-GFCCVEGCSA-N -1 1 283.331 1.862 20 0 CDADMM COc1c(C)cccc1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001579874708 1172287606 /nfs/dbraw/zinc/28/76/06/1172287606.db2.gz GQYOMDFCTWWDGW-UHFFFAOYSA-N -1 1 297.322 1.008 20 0 CDADMM COc1cc(F)cc(Nc2ncncc2-c2nn[n-]n2)c1 ZINC001579933204 1172306476 /nfs/dbraw/zinc/30/64/76/1172306476.db2.gz QOYYYBOSEQMNQQ-UHFFFAOYSA-N -1 1 287.258 1.548 20 0 CDADMM Cc1cnc(NCc2ccc(-c3nn[n-]n3)s2)nc1 ZINC001581320126 1172602119 /nfs/dbraw/zinc/60/21/19/1172602119.db2.gz FQPOHWAJMIPSDO-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM O=C(NC[C@]12C[C@H]1CCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001582529681 1172680230 /nfs/dbraw/zinc/68/02/30/1172680230.db2.gz XQEBFFJKYQVDKJ-YGRLFVJLSA-N -1 1 284.323 1.182 20 0 CDADMM O=C(NC[C@]12C[C@H]1CCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001582529681 1172680236 /nfs/dbraw/zinc/68/02/36/1172680236.db2.gz XQEBFFJKYQVDKJ-YGRLFVJLSA-N -1 1 284.323 1.182 20 0 CDADMM c1c(-c2nn[n-]n2)nnn1Cc1nsc2ccccc12 ZINC001582818305 1172697070 /nfs/dbraw/zinc/69/70/70/1172697070.db2.gz DBXRGRSVKGWWIC-UHFFFAOYSA-N -1 1 284.308 1.116 20 0 CDADMM c1cc(NCC2CCC=CCC2)cc(-c2nnn[n-]2)n1 ZINC001588386305 1173057453 /nfs/dbraw/zinc/05/74/53/1173057453.db2.gz NVWKHJNLWXJYFP-UHFFFAOYSA-N -1 1 270.340 1.842 20 0 CDADMM c1cc(NCC2CCC=CCC2)cc(-c2nn[n-]n2)n1 ZINC001588386305 1173057460 /nfs/dbraw/zinc/05/74/60/1173057460.db2.gz NVWKHJNLWXJYFP-UHFFFAOYSA-N -1 1 270.340 1.842 20 0 CDADMM C=C/C=C\CCn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001588531021 1173076805 /nfs/dbraw/zinc/07/68/05/1173076805.db2.gz WYJHRGGUFHFJBH-ARJAWSKDSA-N -1 1 283.335 1.649 20 0 CDADMM CC(C)(C(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001589035996 1173119827 /nfs/dbraw/zinc/11/98/27/1173119827.db2.gz HUJPQUKGMUKZEG-UHFFFAOYSA-N -1 1 297.322 1.005 20 0 CDADMM CC(C)(C)[C@@H]1CCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001589104246 1173123825 /nfs/dbraw/zinc/12/38/25/1173123825.db2.gz BKXBCNPPEQDTGJ-VIFPVBQESA-N -1 1 259.317 1.282 20 0 CDADMM CC(C)(C)[C@@H]1CCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001589104246 1173123829 /nfs/dbraw/zinc/12/38/29/1173123829.db2.gz BKXBCNPPEQDTGJ-VIFPVBQESA-N -1 1 259.317 1.282 20 0 CDADMM CC(C)[C@@H]1N(c2cncc(-c3nnn[n-]3)n2)CC12CC=CC2 ZINC001589519811 1173153449 /nfs/dbraw/zinc/15/34/49/1173153449.db2.gz MPVFYNVSGHLAFM-ZDUSSCGKSA-N -1 1 297.366 1.838 20 0 CDADMM CC(C)[C@@H]1N(c2cncc(-c3nn[n-]n3)n2)CC12CC=CC2 ZINC001589519811 1173153458 /nfs/dbraw/zinc/15/34/58/1173153458.db2.gz MPVFYNVSGHLAFM-ZDUSSCGKSA-N -1 1 297.366 1.838 20 0 CDADMM CC(C)[C@@H]1CN(c2cc(-c3nnn[n-]3)ncn2)[C@H]1C(C)C ZINC001589517771 1173153844 /nfs/dbraw/zinc/15/38/44/1173153844.db2.gz OLFMDFPJQYRQMG-GWCFXTLKSA-N -1 1 287.371 1.774 20 0 CDADMM CC(C)[C@@H]1CN(c2cc(-c3nn[n-]n3)ncn2)[C@H]1C(C)C ZINC001589517771 1173153845 /nfs/dbraw/zinc/15/38/45/1173153845.db2.gz OLFMDFPJQYRQMG-GWCFXTLKSA-N -1 1 287.371 1.774 20 0 CDADMM CC(C)OCCn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001589749418 1173174337 /nfs/dbraw/zinc/17/43/37/1173174337.db2.gz AVPGBVUWHQLZNN-UHFFFAOYSA-N -1 1 299.334 1.607 20 0 CDADMM C[C@H](CN(C)c1cc(-c2nnn[n-]2)ncn1)c1ccccc1 ZINC001589845600 1173189173 /nfs/dbraw/zinc/18/91/73/1173189173.db2.gz QQRMNCLFNLENJF-LLVKDONJSA-N -1 1 295.350 1.897 20 0 CDADMM C[C@H](CN(C)c1cc(-c2nn[n-]n2)ncn1)c1ccccc1 ZINC001589845600 1173189177 /nfs/dbraw/zinc/18/91/77/1173189177.db2.gz QQRMNCLFNLENJF-LLVKDONJSA-N -1 1 295.350 1.897 20 0 CDADMM C[C@H](CNC(=O)c1cccc(-c2nnn[n-]2)n1)CC(F)F ZINC001589865741 1173189792 /nfs/dbraw/zinc/18/97/92/1173189792.db2.gz WVGCNMPGJZFOKC-ZETCQYMHSA-N -1 1 296.281 1.283 20 0 CDADMM C[C@H](CNC(=O)c1cccc(-c2nn[n-]n2)n1)CC(F)F ZINC001589865741 1173189796 /nfs/dbraw/zinc/18/97/96/1173189796.db2.gz WVGCNMPGJZFOKC-ZETCQYMHSA-N -1 1 296.281 1.283 20 0 CDADMM C[C@@H](Cc1ccsc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589902258 1173197606 /nfs/dbraw/zinc/19/76/06/1173197606.db2.gz LHQMJADFEYCSPW-QMMMGPOBSA-N -1 1 287.352 1.761 20 0 CDADMM C[C@@H](Cc1ccsc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589902258 1173197607 /nfs/dbraw/zinc/19/76/07/1173197607.db2.gz LHQMJADFEYCSPW-QMMMGPOBSA-N -1 1 287.352 1.761 20 0 CDADMM C[C@@]1(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC=CCC1 ZINC001590069892 1173243115 /nfs/dbraw/zinc/24/31/15/1173243115.db2.gz ZGHRDLMVEFOFFT-GFCCVEGCSA-N -1 1 273.300 1.275 20 0 CDADMM C[C@@]1(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC=CCC1 ZINC001590069892 1173243120 /nfs/dbraw/zinc/24/31/20/1173243120.db2.gz ZGHRDLMVEFOFFT-GFCCVEGCSA-N -1 1 273.300 1.275 20 0 CDADMM CC1(C)C[C@@H](OC(=O)c2sccc2-c2nn[n-]n2)CO1 ZINC001590085847 1173252570 /nfs/dbraw/zinc/25/25/70/1173252570.db2.gz VLBLNZFQIBGBAN-SSDOTTSWSA-N -1 1 294.336 1.653 20 0 CDADMM CC1(C)CC[C@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590092345 1173253455 /nfs/dbraw/zinc/25/34/55/1173253455.db2.gz HCHQYDULVWIHSR-SECBINFHSA-N -1 1 277.353 1.847 20 0 CDADMM CC1(C)CN(c2cc(-c3nnn[n-]3)ncn2)[C@@H]1C1CC1 ZINC001590106847 1173259954 /nfs/dbraw/zinc/25/99/54/1173259954.db2.gz WFSDPPGCWGYFFW-LLVKDONJSA-N -1 1 271.328 1.282 20 0 CDADMM CC1(C)CN(c2cc(-c3nn[n-]n3)ncn2)[C@@H]1C1CC1 ZINC001590106847 1173259961 /nfs/dbraw/zinc/25/99/61/1173259961.db2.gz WFSDPPGCWGYFFW-LLVKDONJSA-N -1 1 271.328 1.282 20 0 CDADMM C[C@]1(CNc2nccnc2-c2nnn[n-]2)CC1(F)F ZINC001590135040 1173267464 /nfs/dbraw/zinc/26/74/64/1173267464.db2.gz HFUBMWIKQCCFII-SECBINFHSA-N -1 1 267.243 1.114 20 0 CDADMM C[C@]1(CNc2nccnc2-c2nn[n-]n2)CC1(F)F ZINC001590135040 1173267466 /nfs/dbraw/zinc/26/74/66/1173267466.db2.gz HFUBMWIKQCCFII-SECBINFHSA-N -1 1 267.243 1.114 20 0 CDADMM C[C@]1(CNc2ncncc2-c2nn[n-]n2)CCCC[C@H]1O ZINC001590135792 1173269115 /nfs/dbraw/zinc/26/91/15/1173269115.db2.gz NCQIYFIVFHVNKJ-ZWNOBZJWSA-N -1 1 289.343 1.010 20 0 CDADMM CC1(OCC(=O)Nc2ncc(-c3nnn[n-]3)s2)CCC1 ZINC001590151799 1173271703 /nfs/dbraw/zinc/27/17/03/1173271703.db2.gz IITZLILZJSVMMQ-UHFFFAOYSA-N -1 1 294.340 1.221 20 0 CDADMM C[C@]1(NC(=O)c2ccnc(-c3nnn[n-]3)c2)CC=CCC1 ZINC001590146062 1173271922 /nfs/dbraw/zinc/27/19/22/1173271922.db2.gz HPOFSIPPRQPRFY-AWEZNQCLSA-N -1 1 284.323 1.490 20 0 CDADMM C[C@]1(NC(=O)c2ccnc(-c3nn[n-]n3)c2)CC=CCC1 ZINC001590146062 1173271927 /nfs/dbraw/zinc/27/19/27/1173271927.db2.gz HPOFSIPPRQPRFY-AWEZNQCLSA-N -1 1 284.323 1.490 20 0 CDADMM C[C@]12CCN(c3cccc(-c4nnn[n-]4)n3)C[C@H]1C2(F)F ZINC001590158041 1173276005 /nfs/dbraw/zinc/27/60/05/1173276005.db2.gz WBRPWEVXGXDLIS-SKDRFNHKSA-N -1 1 292.293 1.743 20 0 CDADMM C[C@]12CCN(c3cccc(-c4nn[n-]n4)n3)C[C@H]1C2(F)F ZINC001590158041 1173276014 /nfs/dbraw/zinc/27/60/14/1173276014.db2.gz WBRPWEVXGXDLIS-SKDRFNHKSA-N -1 1 292.293 1.743 20 0 CDADMM C[C@@]1(c2ccccc2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001590152220 1173276127 /nfs/dbraw/zinc/27/61/27/1173276127.db2.gz SPSSCHRMSLTUSD-DOMZBBRYSA-N -1 1 293.334 1.799 20 0 CDADMM C[C@@]1(c2ccccc2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001590152220 1173276133 /nfs/dbraw/zinc/27/61/33/1173276133.db2.gz SPSSCHRMSLTUSD-DOMZBBRYSA-N -1 1 293.334 1.799 20 0 CDADMM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1cnc(-c2nnn[n-]2)cn1 ZINC001590217755 1173297331 /nfs/dbraw/zinc/29/73/31/1173297331.db2.gz DYXATMQNSXXHLQ-SCVCMEIPSA-N -1 1 285.355 1.814 20 0 CDADMM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1cnc(-c2nn[n-]n2)cn1 ZINC001590217755 1173297332 /nfs/dbraw/zinc/29/73/32/1173297332.db2.gz DYXATMQNSXXHLQ-SCVCMEIPSA-N -1 1 285.355 1.814 20 0 CDADMM CC1C[C@H]2CC[C@@H](C1)N2c1ncncc1-c1nn[n-]n1 ZINC001590217760 1173298781 /nfs/dbraw/zinc/29/87/81/1173298781.db2.gz FAOHUEXFMUKDJN-PBINXNQUSA-N -1 1 271.328 1.424 20 0 CDADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCC[C@H](C)C1 ZINC001590249127 1173320750 /nfs/dbraw/zinc/32/07/50/1173320750.db2.gz BPEBWAAFOCVNMZ-DCAQKATOSA-N -1 1 287.371 1.705 20 0 CDADMM C[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H](C)C1(F)F ZINC001590316750 1173352233 /nfs/dbraw/zinc/35/22/33/1173352233.db2.gz QDKHJWGZCBLEIS-YUMQZZPRSA-N -1 1 295.297 1.384 20 0 CDADMM C[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H](C)C1(F)F ZINC001590316750 1173352240 /nfs/dbraw/zinc/35/22/40/1173352240.db2.gz QDKHJWGZCBLEIS-YUMQZZPRSA-N -1 1 295.297 1.384 20 0 CDADMM CC[C@H](C)CN(CC)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590411376 1173399204 /nfs/dbraw/zinc/39/92/04/1173399204.db2.gz WRIHRQALWAARBE-VIFPVBQESA-N -1 1 277.328 1.968 20 0 CDADMM CC[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ccncc1 ZINC001590471576 1173420736 /nfs/dbraw/zinc/42/07/36/1173420736.db2.gz JILIRRHCPMGESZ-SNVBAGLBSA-N -1 1 282.311 1.615 20 0 CDADMM CC[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ccncc1 ZINC001590471576 1173420741 /nfs/dbraw/zinc/42/07/41/1173420741.db2.gz JILIRRHCPMGESZ-SNVBAGLBSA-N -1 1 282.311 1.615 20 0 CDADMM CC[C@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCCOC1 ZINC001590475102 1173427496 /nfs/dbraw/zinc/42/74/96/1173427496.db2.gz RBFJUUIREIEQBQ-UWVGGRQHSA-N -1 1 289.343 1.274 20 0 CDADMM CC[C@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCCOC1 ZINC001590475102 1173427505 /nfs/dbraw/zinc/42/75/05/1173427505.db2.gz RBFJUUIREIEQBQ-UWVGGRQHSA-N -1 1 289.343 1.274 20 0 CDADMM CC[C@@H](O)CCNc1ccc(C)nc1-c1nnn[n-]1 ZINC001590476935 1173428435 /nfs/dbraw/zinc/42/84/35/1173428435.db2.gz MHGKUPCTNSBFOV-SECBINFHSA-N -1 1 262.317 1.143 20 0 CDADMM CC[C@@H](O)CCNc1ccc(C)nc1-c1nn[n-]n1 ZINC001590476935 1173428441 /nfs/dbraw/zinc/42/84/41/1173428441.db2.gz MHGKUPCTNSBFOV-SECBINFHSA-N -1 1 262.317 1.143 20 0 CDADMM CC[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCCOC1 ZINC001590475104 1173429143 /nfs/dbraw/zinc/42/91/43/1173429143.db2.gz RBFJUUIREIEQBQ-VHSXEESVSA-N -1 1 289.343 1.274 20 0 CDADMM CC[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCCOC1 ZINC001590475104 1173429157 /nfs/dbraw/zinc/42/91/57/1173429157.db2.gz RBFJUUIREIEQBQ-VHSXEESVSA-N -1 1 289.343 1.274 20 0 CDADMM CC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CC1(C)C ZINC001590474155 1173429195 /nfs/dbraw/zinc/42/91/95/1173429195.db2.gz ZASKJXGQTYOOTD-RKDXNWHRSA-N -1 1 273.344 1.893 20 0 CDADMM CC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CC1(C)C ZINC001590474155 1173429206 /nfs/dbraw/zinc/42/92/06/1173429206.db2.gz ZASKJXGQTYOOTD-RKDXNWHRSA-N -1 1 273.344 1.893 20 0 CDADMM CC[C@@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001590506507 1173440140 /nfs/dbraw/zinc/44/01/40/1173440140.db2.gz UBPPUSMBHXIAFW-RKDXNWHRSA-N -1 1 291.311 1.147 20 0 CDADMM CC[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001590506507 1173440145 /nfs/dbraw/zinc/44/01/45/1173440145.db2.gz UBPPUSMBHXIAFW-RKDXNWHRSA-N -1 1 291.311 1.147 20 0 CDADMM CCCCC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001590573332 1173465897 /nfs/dbraw/zinc/46/58/97/1173465897.db2.gz GAANSVCQWLQVIS-UHFFFAOYSA-N -1 1 266.330 1.760 20 0 CDADMM CCCCC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590573332 1173465900 /nfs/dbraw/zinc/46/59/00/1173465900.db2.gz GAANSVCQWLQVIS-UHFFFAOYSA-N -1 1 266.330 1.760 20 0 CDADMM CCCCOCCCNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590607508 1173475555 /nfs/dbraw/zinc/47/55/55/1173475555.db2.gz ALTMGTXLYHUGMP-UHFFFAOYSA-N -1 1 293.327 1.396 20 0 CDADMM CCCCOCCCNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590607508 1173475559 /nfs/dbraw/zinc/47/55/59/1173475559.db2.gz ALTMGTXLYHUGMP-UHFFFAOYSA-N -1 1 293.327 1.396 20 0 CDADMM CCCSCC(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001590651579 1173482995 /nfs/dbraw/zinc/48/29/95/1173482995.db2.gz AMUILMFYLRSWQY-UHFFFAOYSA-N -1 1 282.325 1.646 20 0 CDADMM CCCSCC(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001590651579 1173482998 /nfs/dbraw/zinc/48/29/98/1173482998.db2.gz AMUILMFYLRSWQY-UHFFFAOYSA-N -1 1 282.325 1.646 20 0 CDADMM CCN(CC(C)(C)O)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001590682085 1173489415 /nfs/dbraw/zinc/48/94/15/1173489415.db2.gz ANGFZPUGNJUDNK-UHFFFAOYSA-N -1 1 295.368 1.161 20 0 CDADMM CCN(CC(C)(C)O)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001590682085 1173489420 /nfs/dbraw/zinc/48/94/20/1173489420.db2.gz ANGFZPUGNJUDNK-UHFFFAOYSA-N -1 1 295.368 1.161 20 0 CDADMM CCO[C@H]1C[C@H]1COC(=O)c1sccc1-c1nn[n-]n1 ZINC001590794894 1173514433 /nfs/dbraw/zinc/51/44/33/1173514433.db2.gz LBLJDYJFKNHXQT-CBAPKCEASA-N -1 1 294.336 1.510 20 0 CDADMM CCSCn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001590853824 1173528798 /nfs/dbraw/zinc/52/87/98/1173528798.db2.gz MVCYKMMKGIDTFC-UHFFFAOYSA-N -1 1 277.353 1.228 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@H]2CCSC2)n1 ZINC001590903855 1173539020 /nfs/dbraw/zinc/53/90/20/1173539020.db2.gz ZQLAGSGQVFXKFD-QMMMGPOBSA-N -1 1 291.384 1.161 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@H]2CCSC2)n1 ZINC001590903855 1173539025 /nfs/dbraw/zinc/53/90/25/1173539025.db2.gz ZQLAGSGQVFXKFD-QMMMGPOBSA-N -1 1 291.384 1.161 20 0 CDADMM CCc1coc(NC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001590901816 1173539723 /nfs/dbraw/zinc/53/97/23/1173539723.db2.gz KNZGCBXJOQQOLJ-UHFFFAOYSA-N -1 1 285.267 1.064 20 0 CDADMM CCc1coc(NC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001590901816 1173539731 /nfs/dbraw/zinc/53/97/31/1173539731.db2.gz KNZGCBXJOQQOLJ-UHFFFAOYSA-N -1 1 285.267 1.064 20 0 CDADMM CCc1nc(N[C@H](C)CCCCO)cc(-c2nnn[n-]2)n1 ZINC001590914483 1173541739 /nfs/dbraw/zinc/54/17/39/1173541739.db2.gz ACZSVUQMGLPPPZ-SECBINFHSA-N -1 1 291.359 1.182 20 0 CDADMM CCc1nc(N[C@H](C)CCCCO)cc(-c2nn[n-]n2)n1 ZINC001590914483 1173541742 /nfs/dbraw/zinc/54/17/42/1173541742.db2.gz ACZSVUQMGLPPPZ-SECBINFHSA-N -1 1 291.359 1.182 20 0 CDADMM CCc1nocc1CN(C)c1cccc(-c2nnn[n-]2)n1 ZINC001590935608 1173546570 /nfs/dbraw/zinc/54/65/70/1173546570.db2.gz KFKYIIQGGLRLNN-UHFFFAOYSA-N -1 1 285.311 1.449 20 0 CDADMM CCc1nocc1CN(C)c1cccc(-c2nn[n-]n2)n1 ZINC001590935608 1173546575 /nfs/dbraw/zinc/54/65/75/1173546575.db2.gz KFKYIIQGGLRLNN-UHFFFAOYSA-N -1 1 285.311 1.449 20 0 CDADMM CCn1nc(C)c(Nc2ccnc(-c3nnn[n-]3)c2)c1C ZINC001590965656 1173552706 /nfs/dbraw/zinc/55/27/06/1173552706.db2.gz DPWRHJLETBJBJH-UHFFFAOYSA-N -1 1 284.327 1.260 20 0 CDADMM CCn1nc(C)c(Nc2ccnc(-c3nn[n-]n3)c2)c1C ZINC001590965656 1173552712 /nfs/dbraw/zinc/55/27/12/1173552712.db2.gz DPWRHJLETBJBJH-UHFFFAOYSA-N -1 1 284.327 1.260 20 0 CDADMM CN(Cc1ccsc1)c1ncncc1-c1nn[n-]n1 ZINC001591151375 1173583234 /nfs/dbraw/zinc/58/32/34/1173583234.db2.gz WSUZSRRTLQXIET-UHFFFAOYSA-N -1 1 273.325 1.355 20 0 CDADMM CN(c1ccnc(-c2nnn[n-]2)c1)C1CCC(CO)CC1 ZINC001591157099 1173584098 /nfs/dbraw/zinc/58/40/98/1173584098.db2.gz CUYAGFCOKCKRON-UHFFFAOYSA-N -1 1 288.355 1.249 20 0 CDADMM CN(c1ccnc(-c2nn[n-]n2)c1)C1CCC(CO)CC1 ZINC001591157099 1173584102 /nfs/dbraw/zinc/58/41/02/1173584102.db2.gz CUYAGFCOKCKRON-UHFFFAOYSA-N -1 1 288.355 1.249 20 0 CDADMM CO[C@@H](C)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591322511 1173606744 /nfs/dbraw/zinc/60/67/44/1173606744.db2.gz RMCCIQMTEOVCKH-YFKPBYRVSA-N -1 1 288.764 1.814 20 0 CDADMM COc1ccc([C@@H](C)Cn2cc(-c3nn[n-]n3)nn2)cc1 ZINC001591575517 1173670440 /nfs/dbraw/zinc/67/04/40/1173670440.db2.gz ACHOHHDFRLUQPR-VIFPVBQESA-N -1 1 285.311 1.271 20 0 CDADMM COc1ccc(CN(C)c2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001591587505 1173671095 /nfs/dbraw/zinc/67/10/95/1173671095.db2.gz MSEYEODEHDDUDL-UHFFFAOYSA-N -1 1 296.334 1.907 20 0 CDADMM COc1ccc(CN(C)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001591587505 1173671101 /nfs/dbraw/zinc/67/11/01/1173671101.db2.gz MSEYEODEHDDUDL-UHFFFAOYSA-N -1 1 296.334 1.907 20 0 CDADMM C[C@H](O)CSc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001591770582 1173699296 /nfs/dbraw/zinc/69/92/96/1173699296.db2.gz NXRJMHSUFAQPTJ-YFKPBYRVSA-N -1 1 271.733 1.388 20 0 CDADMM C[C@H](O)CSc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001591770582 1173699298 /nfs/dbraw/zinc/69/92/98/1173699298.db2.gz NXRJMHSUFAQPTJ-YFKPBYRVSA-N -1 1 271.733 1.388 20 0 CDADMM CS[C@H](C)[C@H](C)OC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591687770 1173678529 /nfs/dbraw/zinc/67/85/29/1173678529.db2.gz WNULAMCIPYLEQG-JGVFFNPUSA-N -1 1 293.352 1.559 20 0 CDADMM CS[C@H](C)[C@H](C)OC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591687770 1173678533 /nfs/dbraw/zinc/67/85/33/1173678533.db2.gz WNULAMCIPYLEQG-JGVFFNPUSA-N -1 1 293.352 1.559 20 0 CDADMM C[C@@H]1C[C@H](C)CCN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001591735611 1173693286 /nfs/dbraw/zinc/69/32/86/1173693286.db2.gz YVMXVAKNIZBPTK-NXEZZACHSA-N -1 1 289.339 1.968 20 0 CDADMM C[C@@H]1C[C@H](C)CCN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001591735611 1173693292 /nfs/dbraw/zinc/69/32/92/1173693292.db2.gz YVMXVAKNIZBPTK-NXEZZACHSA-N -1 1 289.339 1.968 20 0 CDADMM Cc1c([C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)cnn1C ZINC001591890550 1173742711 /nfs/dbraw/zinc/74/27/11/1173742711.db2.gz AVLPMNJGHDEAOM-MRVPVSSYSA-N -1 1 299.342 1.180 20 0 CDADMM Cc1c([C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)cnn1C ZINC001591890550 1173742718 /nfs/dbraw/zinc/74/27/18/1173742718.db2.gz AVLPMNJGHDEAOM-MRVPVSSYSA-N -1 1 299.342 1.180 20 0 CDADMM Cc1cc(N2CCC[C@@H]([C@H](C)O)C2)cc(-c2nnn[n-]2)n1 ZINC001592005087 1173770868 /nfs/dbraw/zinc/77/08/68/1173770868.db2.gz RLAGVPYCGNAHKM-WDEREUQCSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(N2CCC[C@@H]([C@H](C)O)C2)cc(-c2nn[n-]n2)n1 ZINC001592005087 1173770874 /nfs/dbraw/zinc/77/08/74/1173770874.db2.gz RLAGVPYCGNAHKM-WDEREUQCSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(N[C@@H](C)C[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001592032742 1173776679 /nfs/dbraw/zinc/77/66/79/1173776679.db2.gz AFHHQMWHPFMZEA-ONGXEEELSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(N[C@@H](C)C[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001592032742 1173776683 /nfs/dbraw/zinc/77/66/83/1173776683.db2.gz AFHHQMWHPFMZEA-ONGXEEELSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(NCC[C@H]2CCOC2)nc(-c2nnn[n-]2)c1 ZINC001592045274 1173783598 /nfs/dbraw/zinc/78/35/98/1173783598.db2.gz CDTMFSSZELVTJV-JTQLQIEISA-N -1 1 274.328 1.409 20 0 CDADMM Cc1cc(NCC[C@H]2CCOC2)nc(-c2nn[n-]n2)c1 ZINC001592045274 1173783602 /nfs/dbraw/zinc/78/36/02/1173783602.db2.gz CDTMFSSZELVTJV-JTQLQIEISA-N -1 1 274.328 1.409 20 0 CDADMM Cc1cc(NC[C@H](O)C2CCC2)cc(-c2nnn[n-]2)n1 ZINC001592042139 1173783730 /nfs/dbraw/zinc/78/37/30/1173783730.db2.gz ZOZDFBJOELLNJU-LBPRGKRZSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cc(NC[C@H](O)C2CCC2)cc(-c2nn[n-]n2)n1 ZINC001592042139 1173783734 /nfs/dbraw/zinc/78/37/34/1173783734.db2.gz ZOZDFBJOELLNJU-LBPRGKRZSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)nc(-c2nnn[n-]2)c1 ZINC001592054780 1173789688 /nfs/dbraw/zinc/78/96/88/1173789688.db2.gz IQLFKCQPMHYPOJ-LODQBSKSSA-N -1 1 284.323 1.158 20 0 CDADMM Cc1cc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)nc(-c2nn[n-]n2)c1 ZINC001592054780 1173789691 /nfs/dbraw/zinc/78/96/91/1173789691.db2.gz IQLFKCQPMHYPOJ-LODQBSKSSA-N -1 1 284.323 1.158 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC(C)(F)CC1 ZINC001592110586 1173803388 /nfs/dbraw/zinc/80/33/88/1173803388.db2.gz QDWBVZNOZVEAOK-UHFFFAOYSA-N -1 1 276.319 1.899 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@H](C)CCCCO ZINC001592113042 1173805692 /nfs/dbraw/zinc/80/56/92/1173805692.db2.gz DIDOLVQCXFGXFX-SNVBAGLBSA-N -1 1 276.344 1.533 20 0 CDADMM Cc1ccc(N2C[C@@H](C)C[C@H](CO)C2)c(-c2nnn[n-]2)n1 ZINC001592176202 1173822551 /nfs/dbraw/zinc/82/25/51/1173822551.db2.gz XIXDGRVFVSDYKZ-ONGXEEELSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(N2C[C@@H](C)C[C@H](CO)C2)c(-c2nn[n-]n2)n1 ZINC001592176202 1173822557 /nfs/dbraw/zinc/82/25/57/1173822557.db2.gz XIXDGRVFVSDYKZ-ONGXEEELSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(N2C[C@@H](C)[C@H](O)[C@@H](C)C2)nc1-c1nnn[n-]1 ZINC001592174512 1173822963 /nfs/dbraw/zinc/82/29/63/1173822963.db2.gz HVXTWGOIAFTTHE-IWIIMEHWSA-N -1 1 288.355 1.023 20 0 CDADMM Cc1ccc(N2C[C@@H](C)[C@H](O)[C@@H](C)C2)nc1-c1nn[n-]n1 ZINC001592174512 1173822968 /nfs/dbraw/zinc/82/29/68/1173822968.db2.gz HVXTWGOIAFTTHE-IWIIMEHWSA-N -1 1 288.355 1.023 20 0 CDADMM Cc1ccc(N(C)CCc2cnccn2)c(-c2nnn[n-]2)n1 ZINC001592175518 1173824092 /nfs/dbraw/zinc/82/40/92/1173824092.db2.gz NCPCONBLFAPCJW-UHFFFAOYSA-N -1 1 296.338 1.039 20 0 CDADMM Cc1ccc(N(C)CCc2cnccn2)c(-c2nn[n-]n2)n1 ZINC001592175518 1173824100 /nfs/dbraw/zinc/82/41/00/1173824100.db2.gz NCPCONBLFAPCJW-UHFFFAOYSA-N -1 1 296.338 1.039 20 0 CDADMM Cc1nc(CNc2ccc(C)nc2-c2nnn[n-]2)cs1 ZINC001592184093 1173827814 /nfs/dbraw/zinc/82/78/14/1173827814.db2.gz BRERCECVQYVAMD-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1nc(CNc2ccc(C)nc2-c2nn[n-]n2)cs1 ZINC001592184093 1173827821 /nfs/dbraw/zinc/82/78/21/1173827821.db2.gz BRERCECVQYVAMD-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1ccc(N[C@@H]2CCOC2(C)C)nc1-c1nnn[n-]1 ZINC001592183681 1173829100 /nfs/dbraw/zinc/82/91/00/1173829100.db2.gz IUYLPHKNZLBWNU-SECBINFHSA-N -1 1 274.328 1.550 20 0 CDADMM Cc1ccc(N[C@@H]2CCOC2(C)C)nc1-c1nn[n-]n1 ZINC001592183681 1173829102 /nfs/dbraw/zinc/82/91/02/1173829102.db2.gz IUYLPHKNZLBWNU-SECBINFHSA-N -1 1 274.328 1.550 20 0 CDADMM Cc1ccc(NCCC[C@H]2CCOC2)nc1-c1nnn[n-]1 ZINC001592185527 1173830594 /nfs/dbraw/zinc/83/05/94/1173830594.db2.gz BNSZSNURPNGTTD-NSHDSACASA-N -1 1 288.355 1.799 20 0 CDADMM Cc1ccc(NCCC[C@H]2CCOC2)nc1-c1nn[n-]n1 ZINC001592185527 1173830598 /nfs/dbraw/zinc/83/05/98/1173830598.db2.gz BNSZSNURPNGTTD-NSHDSACASA-N -1 1 288.355 1.799 20 0 CDADMM Cc1ccc2c(c1)N(c1nc(C)cc(-c3nnn[n-]3)n1)CC2 ZINC001592206280 1173832738 /nfs/dbraw/zinc/83/27/38/1173832738.db2.gz XGBXAAGXDBNNOR-UHFFFAOYSA-N -1 1 293.334 1.968 20 0 CDADMM Cc1ccc2c(c1)N(c1nc(C)cc(-c3nn[n-]n3)n1)CC2 ZINC001592206280 1173832744 /nfs/dbraw/zinc/83/27/44/1173832744.db2.gz XGBXAAGXDBNNOR-UHFFFAOYSA-N -1 1 293.334 1.968 20 0 CDADMM Cc1cccc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001592234999 1173836917 /nfs/dbraw/zinc/83/69/17/1173836917.db2.gz CHTAUPATIBVBJD-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1cccc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001592234999 1173836922 /nfs/dbraw/zinc/83/69/22/1173836922.db2.gz CHTAUPATIBVBJD-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1cccc(OCCn2cc(-c3nn[n-]n3)ccc2=O)c1 ZINC001592238827 1173837132 /nfs/dbraw/zinc/83/71/32/1173837132.db2.gz MJFVILPTLYPASQ-UHFFFAOYSA-N -1 1 297.318 1.416 20 0 CDADMM Cc1cnn([C@H]2CCN(c3cccc(-c4nnn[n-]4)n3)C2)c1 ZINC001592302833 1173851703 /nfs/dbraw/zinc/85/17/03/1173851703.db2.gz QPRPUACPHPFUIQ-NSHDSACASA-N -1 1 296.338 1.218 20 0 CDADMM Cc1cnn([C@H]2CCN(c3cccc(-c4nn[n-]n4)n3)C2)c1 ZINC001592302833 1173851708 /nfs/dbraw/zinc/85/17/08/1173851708.db2.gz QPRPUACPHPFUIQ-NSHDSACASA-N -1 1 296.338 1.218 20 0 CDADMM Cc1csc([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001592313413 1173852373 /nfs/dbraw/zinc/85/23/73/1173852373.db2.gz ROTITCOPDHUMEO-ZETCQYMHSA-N -1 1 288.340 1.017 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(CCCOC(C)C)c1C ZINC001592339038 1173859383 /nfs/dbraw/zinc/85/93/83/1173859383.db2.gz CEYKKBYQFNHCJZ-UHFFFAOYSA-N -1 1 264.333 1.495 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(CCCOC(C)C)c1C ZINC001592339038 1173859389 /nfs/dbraw/zinc/85/93/89/1173859389.db2.gz CEYKKBYQFNHCJZ-UHFFFAOYSA-N -1 1 264.333 1.495 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@H]2C2CCCC2)n1 ZINC001592337564 1173859753 /nfs/dbraw/zinc/85/97/53/1173859753.db2.gz KULPEWRDBCQRFL-LBPRGKRZSA-N -1 1 285.355 1.734 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@H]2C2CCCC2)n1 ZINC001592337564 1173859758 /nfs/dbraw/zinc/85/97/58/1173859758.db2.gz KULPEWRDBCQRFL-LBPRGKRZSA-N -1 1 285.355 1.734 20 0 CDADMM Cc1ncsc1Cn1c(C)c(C)nc1-c1nnn[n-]1 ZINC001592425905 1173886846 /nfs/dbraw/zinc/88/68/46/1173886846.db2.gz LWIIIJPLUDLWHU-UHFFFAOYSA-N -1 1 275.341 1.493 20 0 CDADMM Cc1ncsc1Cn1c(C)c(C)nc1-c1nn[n-]n1 ZINC001592425905 1173886859 /nfs/dbraw/zinc/88/68/59/1173886859.db2.gz LWIIIJPLUDLWHU-UHFFFAOYSA-N -1 1 275.341 1.493 20 0 CDADMM Cc1nn(C)c(C)c1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592430500 1173887253 /nfs/dbraw/zinc/88/72/53/1173887253.db2.gz KBUVUJDMLMHYEM-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC(C)(C)C(F)F ZINC001592499084 1173904586 /nfs/dbraw/zinc/90/45/86/1173904586.db2.gz IOVMFDYOFIHIPV-UHFFFAOYSA-N -1 1 285.254 1.542 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC(C)(C)C(F)F ZINC001592499084 1173904589 /nfs/dbraw/zinc/90/45/89/1173904589.db2.gz IOVMFDYOFIHIPV-UHFFFAOYSA-N -1 1 285.254 1.542 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@@H]1CC1(F)F ZINC001592504028 1173908082 /nfs/dbraw/zinc/90/80/82/1173908082.db2.gz QMRPIDYWVDFTAV-LURJTMIESA-N -1 1 284.222 1.580 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@@H]1CC1(F)F ZINC001592504028 1173908090 /nfs/dbraw/zinc/90/80/90/1173908090.db2.gz QMRPIDYWVDFTAV-LURJTMIESA-N -1 1 284.222 1.580 20 0 CDADMM Clc1nsc(NCC2=CCCOC2)c1-c1nnn[n-]1 ZINC001592541882 1173916585 /nfs/dbraw/zinc/91/65/85/1173916585.db2.gz UGXIABGXGUSJJC-UHFFFAOYSA-N -1 1 298.759 1.735 20 0 CDADMM Clc1nsc(NCC2=CCCOC2)c1-c1nn[n-]n1 ZINC001592541882 1173916589 /nfs/dbraw/zinc/91/65/89/1173916589.db2.gz UGXIABGXGUSJJC-UHFFFAOYSA-N -1 1 298.759 1.735 20 0 CDADMM FC(F)(F)[C@H]1CC[C@@H](Cn2ccnc2-c2nnn[n-]2)O1 ZINC001592613601 1173929524 /nfs/dbraw/zinc/92/95/24/1173929524.db2.gz HKBZSRLWIVPQCV-NKWVEPMBSA-N -1 1 288.233 1.173 20 0 CDADMM FC(F)(F)[C@H]1CC[C@@H](Cn2ccnc2-c2nn[n-]n2)O1 ZINC001592613601 1173929530 /nfs/dbraw/zinc/92/95/30/1173929530.db2.gz HKBZSRLWIVPQCV-NKWVEPMBSA-N -1 1 288.233 1.173 20 0 CDADMM Fc1cc(CNc2n[nH]cc2-c2nnn[n-]2)ccc1Cl ZINC001592640006 1173947317 /nfs/dbraw/zinc/94/73/17/1173947317.db2.gz KSHVYPHTFAUGPG-UHFFFAOYSA-N -1 1 293.693 1.994 20 0 CDADMM Fc1cc(CNc2n[nH]cc2-c2nn[n-]n2)ccc1Cl ZINC001592640006 1173947322 /nfs/dbraw/zinc/94/73/22/1173947322.db2.gz KSHVYPHTFAUGPG-UHFFFAOYSA-N -1 1 293.693 1.994 20 0 CDADMM Fc1cccc(C=CCNc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001592655057 1173956288 /nfs/dbraw/zinc/95/62/88/1173956288.db2.gz QBYMVWMFZJOGRI-DUXPYHPUSA-N -1 1 285.286 1.854 20 0 CDADMM Fc1cccc(C=CCNc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001592655057 1173956291 /nfs/dbraw/zinc/95/62/91/1173956291.db2.gz QBYMVWMFZJOGRI-DUXPYHPUSA-N -1 1 285.286 1.854 20 0 CDADMM O=C(C=Cc1ccsc1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592801618 1173992687 /nfs/dbraw/zinc/99/26/87/1173992687.db2.gz FIIDYURFQJIDEH-OWOJBTEDSA-N -1 1 287.308 1.303 20 0 CDADMM O=C(N[C@@H](C1CC1)C1CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001592949921 1174006390 /nfs/dbraw/zinc/00/63/90/1174006390.db2.gz OTNABCCPRGVQEU-CYBMUJFWSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(N[C@@H](C1CC1)C1CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001592949921 1174006395 /nfs/dbraw/zinc/00/63/95/1174006395.db2.gz OTNABCCPRGVQEU-CYBMUJFWSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(N[C@H]1CCC[C@@H](F)C1)c1ccc(-c2nnn[n-]2)o1 ZINC001592975464 1174010551 /nfs/dbraw/zinc/01/05/51/1174010551.db2.gz NFMSNFPPDZDETR-SFYZADRCSA-N -1 1 279.275 1.470 20 0 CDADMM O=C(N[C@H]1CCC[C@@H](F)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001592975464 1174010559 /nfs/dbraw/zinc/01/05/59/1174010559.db2.gz NFMSNFPPDZDETR-SFYZADRCSA-N -1 1 279.275 1.470 20 0 CDADMM O=C(NCC1CSC1)c1ccsc1-c1nnn[n-]1 ZINC001593047913 1174018685 /nfs/dbraw/zinc/01/86/85/1174018685.db2.gz VPTWGCZSXXOXEY-UHFFFAOYSA-N -1 1 281.366 1.021 20 0 CDADMM O=C(NCC1CSC1)c1ccsc1-c1nn[n-]n1 ZINC001593047913 1174018693 /nfs/dbraw/zinc/01/86/93/1174018693.db2.gz VPTWGCZSXXOXEY-UHFFFAOYSA-N -1 1 281.366 1.021 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1C[C@H]1C1CC1 ZINC001593243316 1174037627 /nfs/dbraw/zinc/03/76/27/1174037627.db2.gz CLPIGPQGLHNUOI-WCBMZHEXSA-N -1 1 285.311 1.182 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1C[C@H]1C1CC1 ZINC001593243316 1174037636 /nfs/dbraw/zinc/03/76/36/1174037636.db2.gz CLPIGPQGLHNUOI-WCBMZHEXSA-N -1 1 285.311 1.182 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)NC1(C2CC2)CCC1 ZINC001593256148 1174039532 /nfs/dbraw/zinc/03/95/32/1174039532.db2.gz OHKDRNPHUPYYLK-UHFFFAOYSA-N -1 1 299.338 1.716 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)NC1(C2CC2)CCC1 ZINC001593256148 1174039538 /nfs/dbraw/zinc/03/95/38/1174039538.db2.gz OHKDRNPHUPYYLK-UHFFFAOYSA-N -1 1 299.338 1.716 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCC2(CC2)C1 ZINC001593337126 1174065171 /nfs/dbraw/zinc/06/51/71/1174065171.db2.gz PSTKQOFDUPFMPA-UHFFFAOYSA-N -1 1 284.323 1.278 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCC2(CC2)C1 ZINC001593337126 1174065174 /nfs/dbraw/zinc/06/51/74/1174065174.db2.gz PSTKQOFDUPFMPA-UHFFFAOYSA-N -1 1 284.323 1.278 20 0 CDADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CCCC1 ZINC001593327675 1174065614 /nfs/dbraw/zinc/06/56/14/1174065614.db2.gz DJRWLRKQFGDCFJ-UHFFFAOYSA-N -1 1 279.250 1.381 20 0 CDADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCCC1 ZINC001593327675 1174065623 /nfs/dbraw/zinc/06/56/23/1174065623.db2.gz DJRWLRKQFGDCFJ-UHFFFAOYSA-N -1 1 279.250 1.381 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCCC12CCC2 ZINC001593348689 1174067470 /nfs/dbraw/zinc/06/74/70/1174067470.db2.gz LMTPQQXKYSSJAF-UHFFFAOYSA-N -1 1 284.323 1.420 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCCC12CCC2 ZINC001593348689 1174067474 /nfs/dbraw/zinc/06/74/74/1174067474.db2.gz LMTPQQXKYSSJAF-UHFFFAOYSA-N -1 1 284.323 1.420 20 0 CDADMM O=Cc1ccc(Oc2ncncc2-c2nnn[n-]2)c(F)c1 ZINC001593416469 1174076259 /nfs/dbraw/zinc/07/62/59/1174076259.db2.gz UYMVKIGPFYLGLW-UHFFFAOYSA-N -1 1 286.226 1.401 20 0 CDADMM O=Cc1ccc(Oc2ncncc2-c2nn[n-]n2)c(F)c1 ZINC001593416469 1174076263 /nfs/dbraw/zinc/07/62/63/1174076263.db2.gz UYMVKIGPFYLGLW-UHFFFAOYSA-N -1 1 286.226 1.401 20 0 CDADMM O=C1OCC[C@@H]1CCCNc1cccnc1-c1nnn[n-]1 ZINC001593415406 1174077807 /nfs/dbraw/zinc/07/78/07/1174077807.db2.gz ZZZNINMFFMNVIQ-VIFPVBQESA-N -1 1 288.311 1.017 20 0 CDADMM O=C1OCC[C@@H]1CCCNc1cccnc1-c1nn[n-]n1 ZINC001593415406 1174077815 /nfs/dbraw/zinc/07/78/15/1174077815.db2.gz ZZZNINMFFMNVIQ-VIFPVBQESA-N -1 1 288.311 1.017 20 0 CDADMM O[C@@H](CNc1cccnc1-c1nnn[n-]1)c1ccsc1 ZINC001593506886 1174093951 /nfs/dbraw/zinc/09/39/51/1174093951.db2.gz NYTGIZCSPXABCX-JTQLQIEISA-N -1 1 288.336 1.469 20 0 CDADMM O[C@@H](CNc1cccnc1-c1nn[n-]n1)c1ccsc1 ZINC001593506886 1174093956 /nfs/dbraw/zinc/09/39/56/1174093956.db2.gz NYTGIZCSPXABCX-JTQLQIEISA-N -1 1 288.336 1.469 20 0 CDADMM O=c1cc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)cc[nH]1 ZINC001593539581 1174112171 /nfs/dbraw/zinc/11/21/71/1174112171.db2.gz XTZZOPQJYKAWBA-UHFFFAOYSA-N -1 1 298.310 1.180 20 0 CDADMM O=c1cc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)cc[nH]1 ZINC001593539581 1174112175 /nfs/dbraw/zinc/11/21/75/1174112175.db2.gz XTZZOPQJYKAWBA-UHFFFAOYSA-N -1 1 298.310 1.180 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC[C@H]1CC[C@@H](C2CC2)O1 ZINC001593552134 1174126976 /nfs/dbraw/zinc/12/69/76/1174126976.db2.gz WLCAGYILDBDNRF-KOLCDFICSA-N -1 1 287.327 1.026 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC[C@H]1CC[C@@H](C2CC2)O1 ZINC001593552134 1174126981 /nfs/dbraw/zinc/12/69/81/1174126981.db2.gz WLCAGYILDBDNRF-KOLCDFICSA-N -1 1 287.327 1.026 20 0 CDADMM c1cc(N[C@H]2CCCC3(CC3)C2)nc(-c2nn[n-]n2)n1 ZINC001593558094 1174133231 /nfs/dbraw/zinc/13/32/31/1174133231.db2.gz ILVKALFNKIYWKZ-VIFPVBQESA-N -1 1 271.328 1.213 20 0 CDADMM c1ccc(C2CN(c3cccc(-c4nnn[n-]4)n3)C2)cc1 ZINC001593572661 1174144470 /nfs/dbraw/zinc/14/44/70/1174144470.db2.gz COXOTOWYJIRGRG-UHFFFAOYSA-N -1 1 278.319 1.866 20 0 CDADMM c1ccc(C2CN(c3cccc(-c4nn[n-]n4)n3)C2)cc1 ZINC001593572661 1174144474 /nfs/dbraw/zinc/14/44/74/1174144474.db2.gz COXOTOWYJIRGRG-UHFFFAOYSA-N -1 1 278.319 1.866 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@H]2CCC[C@@H]2C2CC2)n1 ZINC001593582898 1174148250 /nfs/dbraw/zinc/14/82/50/1174148250.db2.gz DWTRPRZRAXYLRF-GHMZBOCLSA-N -1 1 285.355 1.895 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@H]2CCC[C@@H]2C2CC2)n1 ZINC001593582898 1174148256 /nfs/dbraw/zinc/14/82/56/1174148256.db2.gz DWTRPRZRAXYLRF-GHMZBOCLSA-N -1 1 285.355 1.895 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCC[C@@H]2CCOC2)c1 ZINC001593584253 1174152267 /nfs/dbraw/zinc/15/22/67/1174152267.db2.gz JWADHYGKSYEBNJ-SECBINFHSA-N -1 1 260.301 1.100 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCC[C@@H]2CCOC2)c1 ZINC001593584253 1174152274 /nfs/dbraw/zinc/15/22/74/1174152274.db2.gz JWADHYGKSYEBNJ-SECBINFHSA-N -1 1 260.301 1.100 20 0 CDADMM c1cncc([C@@H]2CCN(c3cccc(-c4nnn[n-]4)n3)C2)c1 ZINC001593587263 1174152450 /nfs/dbraw/zinc/15/24/50/1174152450.db2.gz FJUFWWQYJCUIMZ-GFCCVEGCSA-N -1 1 293.334 1.651 20 0 CDADMM c1cncc([C@@H]2CCN(c3cccc(-c4nn[n-]n4)n3)C2)c1 ZINC001593587263 1174152456 /nfs/dbraw/zinc/15/24/56/1174152456.db2.gz FJUFWWQYJCUIMZ-GFCCVEGCSA-N -1 1 293.334 1.651 20 0 CDADMM c1cncc([C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001593587706 1174155789 /nfs/dbraw/zinc/15/57/89/1174155789.db2.gz MZMKRAXPSIPPGW-LLVKDONJSA-N -1 1 294.322 1.046 20 0 CDADMM c1cncc([C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001593587706 1174155792 /nfs/dbraw/zinc/15/57/92/1174155792.db2.gz MZMKRAXPSIPPGW-LLVKDONJSA-N -1 1 294.322 1.046 20 0 CDADMM c1coc([C@@H]2CCN(c3ncncc3-c3nn[n-]n3)C2)c1 ZINC001593589812 1174158374 /nfs/dbraw/zinc/15/83/74/1174158374.db2.gz SNYUFZMKRIXNAN-SECBINFHSA-N -1 1 283.295 1.244 20 0 CDADMM Cc1cc(N)nc(N2CCc3ccc(C(=O)[O-])cc3C2)n1 ZINC001600238041 1174421557 /nfs/dbraw/zinc/42/15/57/1174421557.db2.gz ZPAJSCSYRCXBLR-UHFFFAOYSA-N -1 1 284.319 1.628 20 0 CDADMM Cc1ccc(CN[C@H](CO)c2cnn(C)c2)cc1C(=O)[O-] ZINC001600419115 1174470828 /nfs/dbraw/zinc/47/08/28/1174470828.db2.gz JRSKDKWSGHVHRR-CQSZACIVSA-N -1 1 289.335 1.250 20 0 CDADMM Cc1ccccc1[C@@H](C(=O)[O-])[N@H+](C)C[C@H](C)C(=O)[O-] ZINC001600566270 1174507289 /nfs/dbraw/zinc/50/72/89/1174507289.db2.gz VGPKMTFCCJDWRQ-JQWIXIFHSA-N -1 1 265.309 1.773 20 0 CDADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)c1cccnc1 ZINC000095230504 1174514207 /nfs/dbraw/zinc/51/42/07/1174514207.db2.gz UVVWSMVLUUSODW-QMMMGPOBSA-N -1 1 268.284 1.225 20 0 CDADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)c1cccnc1 ZINC000095230504 1174514214 /nfs/dbraw/zinc/51/42/14/1174514214.db2.gz UVVWSMVLUUSODW-QMMMGPOBSA-N -1 1 268.284 1.225 20 0 CDADMM Cc1noc(C)c1CN1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001600809497 1174621773 /nfs/dbraw/zinc/62/17/73/1174621773.db2.gz YCRVZTBBJBGKAA-JTQLQIEISA-N -1 1 291.311 1.028 20 0 CDADMM Cn1cnc(CN2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c1 ZINC001600988712 1174692492 /nfs/dbraw/zinc/69/24/92/1174692492.db2.gz ACPHTMQKWCSNJT-RDBSUJKOSA-N -1 1 277.368 1.885 20 0 CDADMM NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccoc1C(=O)[O-] ZINC001601142443 1174762138 /nfs/dbraw/zinc/76/21/38/1174762138.db2.gz YCIMBPMRTGQIHA-LSJOCFKGSA-N -1 1 278.308 1.064 20 0 CDADMM O=C([O-])c1coc(CNC(=O)CCN2CC[C@@H](F)C2)c1 ZINC001601274422 1174820982 /nfs/dbraw/zinc/82/09/82/1174820982.db2.gz FIJUTVXHRMGKOV-SNVBAGLBSA-N -1 1 284.287 1.028 20 0 CDADMM O=C([O-])c1ccc(CC(=O)NOc2ccc(F)cc2)cn1 ZINC001601357913 1174844787 /nfs/dbraw/zinc/84/47/87/1174844787.db2.gz GRGGGLVMGRNGSM-UHFFFAOYSA-N -1 1 290.250 1.572 20 0 CDADMM O=C([O-])c1ccc(C(=O)NCc2ccc3nc[nH]c3c2)cn1 ZINC001601540768 1174896220 /nfs/dbraw/zinc/89/62/20/1174896220.db2.gz VZAJYGTZQSXZEZ-UHFFFAOYSA-N -1 1 296.286 1.586 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001601760730 1174994073 /nfs/dbraw/zinc/99/40/73/1174994073.db2.gz MFRVBPFZPMCYPD-MNOVXSKESA-N -1 1 294.355 1.366 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001601760730 1174994074 /nfs/dbraw/zinc/99/40/74/1174994074.db2.gz MFRVBPFZPMCYPD-MNOVXSKESA-N -1 1 294.355 1.366 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](O)CN1Cc1cc2ccncc2s1 ZINC001601774678 1175001627 /nfs/dbraw/zinc/00/16/27/1175001627.db2.gz ZEUMUWLEWPJQBZ-ONGXEEELSA-N -1 1 278.333 1.316 20 0 CDADMM O=C([O-])C[C@H]1COCCN1Cc1[nH]nc2ccccc21 ZINC001601965673 1175090161 /nfs/dbraw/zinc/09/01/61/1175090161.db2.gz RZCDNZONMNXLHA-JTQLQIEISA-N -1 1 275.308 1.238 20 0 CDADMM O=C([O-])Cc1ccc(NC(=O)CCc2c[nH]nn2)cc1 ZINC001602123319 1175136085 /nfs/dbraw/zinc/13/60/85/1175136085.db2.gz IVEFOOGBVNWEFM-UHFFFAOYSA-N -1 1 274.280 1.003 20 0 CDADMM O=C([O-])Cc1ccc(NC(=O)CCc2cnn[nH]2)cc1 ZINC001602123319 1175136090 /nfs/dbraw/zinc/13/60/90/1175136090.db2.gz IVEFOOGBVNWEFM-UHFFFAOYSA-N -1 1 274.280 1.003 20 0 CDADMM O=C([O-])c1cc(CN2CC[C@H](Nc3ncccn3)C2)c[nH]1 ZINC001602256621 1175183863 /nfs/dbraw/zinc/18/38/63/1175183863.db2.gz LFXKQNQDRSHUAB-NSHDSACASA-N -1 1 287.323 1.189 20 0 CDADMM O=C([O-])c1cc(CNC(=O)c2ccc(F)cc2O)ccn1 ZINC001602259273 1175187329 /nfs/dbraw/zinc/18/73/29/1175187329.db2.gz YVTFMNGQARTPCF-UHFFFAOYSA-N -1 1 290.250 1.555 20 0 CDADMM O=C([O-])c1ccc(CN[C@H](c2nnc[nH]2)c2ccccc2)[nH]1 ZINC001602344532 1175217004 /nfs/dbraw/zinc/21/70/04/1175217004.db2.gz KXBZCVNPFFERGH-ZDUSSCGKSA-N -1 1 297.318 1.710 20 0 CDADMM O=C([O-])c1ccc(CNCc2ccnc(-n3cncn3)c2)o1 ZINC001602348312 1175220351 /nfs/dbraw/zinc/22/03/51/1175220351.db2.gz OCNZIRYZEWAQRY-UHFFFAOYSA-N -1 1 299.290 1.243 20 0 CDADMM O=C([O-])c1ccc(Cl)c(CN2CC[C@H](O)C2)c1 ZINC001602358014 1175222912 /nfs/dbraw/zinc/22/29/12/1175222912.db2.gz OEFQHSRWBPIPKS-JTQLQIEISA-N -1 1 255.701 1.605 20 0 CDADMM O=C([O-])c1ccccc1CCc1nc([C@H]2CCCN2)no1 ZINC001602467886 1175248961 /nfs/dbraw/zinc/24/89/61/1175248961.db2.gz KUYMCUIRXAHSIK-GFCCVEGCSA-N -1 1 287.319 1.978 20 0 CDADMM O=C([O-])c1cnc(CNC[C@@H]2CC[N@H+]2C2CCCC2)s1 ZINC001602521169 1175267977 /nfs/dbraw/zinc/26/79/77/1175267977.db2.gz NGVVDTFKPZFBGX-NSHDSACASA-N -1 1 295.408 1.948 20 0 CDADMM O=C([O-])c1occc1C[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC001602591058 1175312028 /nfs/dbraw/zinc/31/20/28/1175312028.db2.gz SGSGHYOOGVXLEV-VIFPVBQESA-N -1 1 293.279 1.446 20 0 CDADMM CC(=O)NC[C@@H]1CCCCN1Cc1c[nH]c(C(=O)[O-])c1 ZINC001603046775 1175481024 /nfs/dbraw/zinc/48/10/24/1175481024.db2.gz PFXDEWNYNFRABP-LBPRGKRZSA-N -1 1 279.340 1.204 20 0 CDADMM CC(C)(CCn1cccc(-c2nn[n-]n2)c1=O)C1CC1 ZINC001603143704 1175500736 /nfs/dbraw/zinc/50/07/36/1175500736.db2.gz IGLFZUVOZMRUDC-UHFFFAOYSA-N -1 1 273.340 1.855 20 0 CDADMM CC(C)[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603207763 1175514796 /nfs/dbraw/zinc/51/47/96/1175514796.db2.gz BHKHOQZVLYOZNI-MRVPVSSYSA-N -1 1 260.301 1.492 20 0 CDADMM CC(C)[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603207763 1175514801 /nfs/dbraw/zinc/51/48/01/1175514801.db2.gz BHKHOQZVLYOZNI-MRVPVSSYSA-N -1 1 260.301 1.492 20 0 CDADMM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603237594 1175522723 /nfs/dbraw/zinc/52/27/23/1175522723.db2.gz FEAQRTJEFTUHMN-FZMZJTMJSA-N -1 1 286.339 1.426 20 0 CDADMM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603237594 1175522731 /nfs/dbraw/zinc/52/27/31/1175522731.db2.gz FEAQRTJEFTUHMN-FZMZJTMJSA-N -1 1 286.339 1.426 20 0 CDADMM CC(C)(C)OC(=O)[C@@]1(C)CCCN1C[C@@](C)(O)C(=O)[O-] ZINC001603357442 1175548593 /nfs/dbraw/zinc/54/85/93/1175548593.db2.gz HEVBZUMRSDZUSD-ZIAGYGMSSA-N -1 1 287.356 1.018 20 0 CDADMM CC(C)c1ccccc1Cn1cc(-c2nn[n-]n2)nn1 ZINC001603405732 1175551233 /nfs/dbraw/zinc/55/12/33/1175551233.db2.gz RENZGBMZFJHATR-UHFFFAOYSA-N -1 1 269.312 1.630 20 0 CDADMM C[C@@H](COC(=O)c1cccc(-c2nnn[n-]2)n1)C1CCC1 ZINC001603569120 1175567988 /nfs/dbraw/zinc/56/79/88/1175567988.db2.gz KSTQGQPDGGYWKA-VIFPVBQESA-N -1 1 287.323 1.855 20 0 CDADMM C[C@@H](COC(=O)c1cccc(-c2nn[n-]n2)n1)C1CCC1 ZINC001603569120 1175567995 /nfs/dbraw/zinc/56/79/95/1175567995.db2.gz KSTQGQPDGGYWKA-VIFPVBQESA-N -1 1 287.323 1.855 20 0 CDADMM C[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1ccc[nH]1 ZINC001603648996 1175585512 /nfs/dbraw/zinc/58/55/12/1175585512.db2.gz LRXHWTFLPPBYOG-ZETCQYMHSA-N -1 1 288.336 1.747 20 0 CDADMM C[C@@H](c1ccco1)N(C)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001603738574 1175613935 /nfs/dbraw/zinc/61/39/35/1175613935.db2.gz IJJNWEHBBMRFMM-VIFPVBQESA-N -1 1 298.306 1.688 20 0 CDADMM C[C@@H](c1ccco1)N(C)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001603738574 1175613942 /nfs/dbraw/zinc/61/39/42/1175613942.db2.gz IJJNWEHBBMRFMM-VIFPVBQESA-N -1 1 298.306 1.688 20 0 CDADMM CC(C)CN(C)CC(=O)Nc1ccsc1C(=O)[O-] ZINC001603801750 1175635366 /nfs/dbraw/zinc/63/53/66/1175635366.db2.gz OYFHIJZKGJNUJE-UHFFFAOYSA-N -1 1 270.354 1.973 20 0 CDADMM CC1(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CC1 ZINC001603798489 1175635819 /nfs/dbraw/zinc/63/58/19/1175635819.db2.gz RJKMHPQNLBBSMU-UHFFFAOYSA-N -1 1 273.296 1.701 20 0 CDADMM C[C@H]1C[C@H]1c1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)n[nH]1 ZINC001603871553 1175662384 /nfs/dbraw/zinc/66/23/84/1175662384.db2.gz OURRRMFJKKCARB-POYBYMJQSA-N -1 1 299.294 1.559 20 0 CDADMM C[C@H]1C[C@H]1c1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)n[nH]1 ZINC001603871553 1175662387 /nfs/dbraw/zinc/66/23/87/1175662387.db2.gz OURRRMFJKKCARB-POYBYMJQSA-N -1 1 299.294 1.559 20 0 CDADMM C[C@H]1COC2(CCC2)CN1c1cccc(-c2nnn[n-]2)n1 ZINC001603946759 1175694246 /nfs/dbraw/zinc/69/42/46/1175694246.db2.gz JPMYVRCIULFASE-JTQLQIEISA-N -1 1 286.339 1.410 20 0 CDADMM C[C@H]1COC2(CCC2)CN1c1cccc(-c2nn[n-]n2)n1 ZINC001603946759 1175694249 /nfs/dbraw/zinc/69/42/49/1175694249.db2.gz JPMYVRCIULFASE-JTQLQIEISA-N -1 1 286.339 1.410 20 0 CDADMM C[C@@H]1Cc2n[nH]cc2CN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001603949176 1175694434 /nfs/dbraw/zinc/69/44/34/1175694434.db2.gz YEHJIPHCQVYDNU-SECBINFHSA-N -1 1 296.338 1.184 20 0 CDADMM CC(C)c1ncc(C[N@H+](CCC(=O)[O-])CC(=O)[O-])s1 ZINC001604019759 1175721809 /nfs/dbraw/zinc/72/18/09/1175721809.db2.gz SLJCZSPHMMIGTP-UHFFFAOYSA-N -1 1 286.353 1.628 20 0 CDADMM CC(C)c1ncc(C[N@@H+](CCC(=O)[O-])CC(=O)[O-])s1 ZINC001604019759 1175721812 /nfs/dbraw/zinc/72/18/12/1175721812.db2.gz SLJCZSPHMMIGTP-UHFFFAOYSA-N -1 1 286.353 1.628 20 0 CDADMM CC[C@@H](C[C@@H](C)O)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001604016208 1175722087 /nfs/dbraw/zinc/72/20/87/1175722087.db2.gz QDSXQVRMMXNHJU-SFYZADRCSA-N -1 1 295.368 1.208 20 0 CDADMM CC[C@@H](C[C@@H](C)O)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001604016208 1175722095 /nfs/dbraw/zinc/72/20/95/1175722095.db2.gz QDSXQVRMMXNHJU-SFYZADRCSA-N -1 1 295.368 1.208 20 0 CDADMM CC[C@@]1(C)CCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001604084426 1175750532 /nfs/dbraw/zinc/75/05/32/1175750532.db2.gz QFRDMYQZYRCUHS-ZDUSSCGKSA-N -1 1 258.329 1.888 20 0 CDADMM CC[C@@]1(C)CCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001604084426 1175750539 /nfs/dbraw/zinc/75/05/39/1175750539.db2.gz QFRDMYQZYRCUHS-ZDUSSCGKSA-N -1 1 258.329 1.888 20 0 CDADMM CCC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1OC)C(=O)[O-] ZINC000262297276 1182212953 /nfs/dbraw/zinc/21/29/53/1182212953.db2.gz PEUGOPHSWWQXFO-CMPLNLGQSA-N -1 1 294.351 1.865 20 0 CDADMM Cc1ccc2c(c1)S[C@H](C(=O)N(C)c1nn[n-]n1)C2 ZINC001771922609 1186957970 /nfs/dbraw/zinc/95/79/70/1186957970.db2.gz DNADOCIUBMOSPM-JTQLQIEISA-N -1 1 275.337 1.188 20 0 CDADMM FC(F)(F)SCCNc1cncc(-c2nnn[n-]2)n1 ZINC001606290979 1163837381 /nfs/dbraw/zinc/83/73/81/1163837381.db2.gz UKFIONIMPWUPCM-UHFFFAOYSA-N -1 1 291.262 1.322 20 0 CDADMM FC(F)(F)SCCNc1cncc(-c2nn[n-]n2)n1 ZINC001606290979 1163837389 /nfs/dbraw/zinc/83/73/89/1163837389.db2.gz UKFIONIMPWUPCM-UHFFFAOYSA-N -1 1 291.262 1.322 20 0 CDADMM CN[C@H](C)c1cn([C@@H]2CCC[C@@H](C(=O)[O-])C2)nn1 ZINC001606294751 1163839370 /nfs/dbraw/zinc/83/93/70/1163839370.db2.gz GLSDCMXHCARKQV-OPRDCNLKSA-N -1 1 252.318 1.374 20 0 CDADMM F[C@H]1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001606300463 1163845222 /nfs/dbraw/zinc/84/52/22/1163845222.db2.gz VOIVOJGOEYLCKW-JGVFFNPUSA-N -1 1 263.280 1.349 20 0 CDADMM F[C@H]1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001606300463 1163845227 /nfs/dbraw/zinc/84/52/27/1163845227.db2.gz VOIVOJGOEYLCKW-JGVFFNPUSA-N -1 1 263.280 1.349 20 0 CDADMM Fc1ccc(Oc2nnccc2-c2nnn[n-]2)cc1 ZINC001606322550 1163859781 /nfs/dbraw/zinc/85/97/81/1163859781.db2.gz DDOHPBALQJXNNF-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM Fc1ccc(Oc2nnccc2-c2nn[n-]n2)cc1 ZINC001606322550 1163859784 /nfs/dbraw/zinc/85/97/84/1163859784.db2.gz DDOHPBALQJXNNF-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM O=C(NC[C@H]1C=CCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001606719920 1163969568 /nfs/dbraw/zinc/96/95/68/1163969568.db2.gz RTWJNKZHBPAQQC-QMMMGPOBSA-N -1 1 259.269 1.156 20 0 CDADMM O=C(NC[C@H]1C=CCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001606719920 1163969572 /nfs/dbraw/zinc/96/95/72/1163969572.db2.gz RTWJNKZHBPAQQC-QMMMGPOBSA-N -1 1 259.269 1.156 20 0 CDADMM COC[C@](C)(CC(=O)[O-])NCc1cnc(C2CC2)o1 ZINC001606786271 1163992050 /nfs/dbraw/zinc/99/20/50/1163992050.db2.gz 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O=C([O-])[C@]12COC[C@H]1C[N@H+](Cc1cccc([O-])c1Cl)C2 ZINC000665345680 414089151 /nfs/dbraw/zinc/08/91/51/414089151.db2.gz ZNYYGOCCTIRXOS-QMTHXVAHSA-N -1 1 297.738 1.579 20 0 CDADMM O=C([O-])[C@]12COC[C@H]1C[N@@H+](Cc1cccc([O-])c1Cl)C2 ZINC000665345680 414089158 /nfs/dbraw/zinc/08/91/58/414089158.db2.gz ZNYYGOCCTIRXOS-QMTHXVAHSA-N -1 1 297.738 1.579 20 0 CDADMM CC[C@H](C)[C@@H](C(=O)NCc1nn[n-]n1)c1ccccc1 ZINC000044926976 175278556 /nfs/dbraw/zinc/27/85/56/175278556.db2.gz QWFRZXRMMAUSLZ-GXFFZTMASA-N -1 1 273.340 1.646 20 0 CDADMM Cc1nnc(NC(=O)c2ccc(Br)cc2[O-])[nH]1 ZINC000077989049 177315705 /nfs/dbraw/zinc/31/57/05/177315705.db2.gz ZFBJMLKCDJUZFO-UHFFFAOYSA-N -1 1 297.112 1.834 20 0 CDADMM CC(C)[C@@]1(C)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001589491404 1173148005 /nfs/dbraw/zinc/14/80/05/1173148005.db2.gz UNAFVXVBUCLKIQ-BXKDBHETSA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)[C@@]1(C)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001589491404 1173148008 /nfs/dbraw/zinc/14/80/08/1173148008.db2.gz 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/nfs/dbraw/zinc/35/84/87/424358487.db2.gz UNJVXKPICYMFNQ-AWEZNQCLSA-N -1 1 285.290 1.765 20 0 CDADMM CCCc1cc(C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])n[nH]1 ZINC000653660990 424395926 /nfs/dbraw/zinc/39/59/26/424395926.db2.gz HPLVPPJVMQMIMY-BXKDBHETSA-N -1 1 279.340 1.688 20 0 CDADMM CC[C@@H](C(=O)[O-])N1CCOc2cccc(F)c2C1 ZINC000652444680 424445424 /nfs/dbraw/zinc/44/54/24/424445424.db2.gz JFOSILAHSYWZKN-NSHDSACASA-N -1 1 253.273 1.883 20 0 CDADMM CCc1cc(=O)[nH]c(CN2CCC[C@@](C)(C(=O)[O-])C2)n1 ZINC000652482811 424484150 /nfs/dbraw/zinc/48/41/50/424484150.db2.gz WKBJWZPNIJFTKT-CQSZACIVSA-N -1 1 279.340 1.431 20 0 CDADMM CCc1cc(=O)[n-]c(C[N@@H+]2CCC[C@@](C)(C(=O)[O-])C2)n1 ZINC000652482811 424484154 /nfs/dbraw/zinc/48/41/54/424484154.db2.gz WKBJWZPNIJFTKT-CQSZACIVSA-N -1 1 279.340 1.431 20 0 CDADMM CCc1cc(=O)[n-]c(C[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)n1 ZINC000652482811 424484158 /nfs/dbraw/zinc/48/41/58/424484158.db2.gz WKBJWZPNIJFTKT-CQSZACIVSA-N -1 1 279.340 1.431 20 0 CDADMM Cc1nc(CN2CCc3cccc(C(=O)[O-])c3C2)n[nH]1 ZINC000652486944 424489302 /nfs/dbraw/zinc/48/93/02/424489302.db2.gz ICFYRFRQIDRGDI-UHFFFAOYSA-N -1 1 272.308 1.370 20 0 CDADMM CN(C)c1noc(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)n1 ZINC000652498839 424507753 /nfs/dbraw/zinc/50/77/53/424507753.db2.gz VVNCSVSWUCFMHT-JTQLQIEISA-N -1 1 296.371 1.458 20 0 CDADMM O=C([O-])C[C@H]1COCCN1C[C@H](O)C1CCCCC1 ZINC000652475730 424470816 /nfs/dbraw/zinc/47/08/16/424470816.db2.gz FMXQKNRFERSQJO-STQMWFEESA-N -1 1 271.357 1.103 20 0 CDADMM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000663073167 424643919 /nfs/dbraw/zinc/64/39/19/424643919.db2.gz YRPPACVGGVBORT-XPTSAGLGSA-N -1 1 277.324 1.404 20 0 CDADMM C[C@@H]1CC[C@@H](C)N(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590227498 1173304098 /nfs/dbraw/zinc/30/40/98/1173304098.db2.gz PFCOBIJKXDVUCM-NXEZZACHSA-N -1 1 258.329 1.887 20 0 CDADMM C[C@@H]1CC[C@@H](C)N(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590227498 1173304106 /nfs/dbraw/zinc/30/41/06/1173304106.db2.gz PFCOBIJKXDVUCM-NXEZZACHSA-N -1 1 258.329 1.887 20 0 CDADMM C[C@@H]1CSC[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC001590329806 1173360375 /nfs/dbraw/zinc/36/03/75/1173360375.db2.gz RVOGFOGFZWZQCU-APPZFPTMSA-N -1 1 262.342 1.425 20 0 CDADMM C[C@@H]1CSC[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC001590329806 1173360379 /nfs/dbraw/zinc/36/03/79/1173360379.db2.gz RVOGFOGFZWZQCU-APPZFPTMSA-N -1 1 262.342 1.425 20 0 CDADMM CCC(C)(C)OCC(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001590378255 1173381174 /nfs/dbraw/zinc/38/11/74/1173381174.db2.gz FBCISPQOENQVOT-UHFFFAOYSA-N -1 1 293.331 1.042 20 0 CDADMM CCOC(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000263704845 276282657 /nfs/dbraw/zinc/28/26/57/276282657.db2.gz PFNBDONJBHTRHZ-UHFFFAOYSA-N -1 1 293.323 1.092 20 0 CDADMM CC[C@@H](C)C[C@H](CO)Nc1nc(-c2nn[n-]n2)ccc1C ZINC001590406214 1173393504 /nfs/dbraw/zinc/39/35/04/1173393504.db2.gz JMINYHRYSYHHRT-MWLCHTKSSA-N -1 1 290.371 1.779 20 0 CDADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H](C)S1 ZINC000070387707 277861916 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ZINC001590490029 1173430313 /nfs/dbraw/zinc/43/03/13/1173430313.db2.gz PAKYRAUFKLAPCR-CYBMUJFWSA-N -1 1 258.329 1.888 20 0 CDADMM Cc1nn(C)c(Cl)c1/C=C\C(=O)[N-]O[C@H]1CCCCO1 ZINC000255276600 289363445 /nfs/dbraw/zinc/36/34/45/289363445.db2.gz BSHLXNMOULJUHE-DGMVEKRQSA-N -1 1 299.758 1.970 20 0 CDADMM CCC[C@H](NC(=O)C=Cc1ccc(C)o1)c1nn[n-]n1 ZINC000255379849 289369486 /nfs/dbraw/zinc/36/94/86/289369486.db2.gz HNTCUGRZROGYQT-TVRMLOFPSA-N -1 1 275.312 1.772 20 0 CDADMM O=C(Nc1cccc2cc[nH]c21)c1cc(=O)n2[n-]cnc2n1 ZINC000548475386 289892823 /nfs/dbraw/zinc/89/28/23/289892823.db2.gz NKNXSHPNPFWCTM-UHFFFAOYSA-N -1 1 294.274 1.151 20 0 CDADMM CC[C@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)C[C@@H](C)O1 ZINC001590525531 1173452617 /nfs/dbraw/zinc/45/26/17/1173452617.db2.gz ZHWXWEFGBPMQJY-BDAKNGLRSA-N -1 1 294.384 1.323 20 0 CDADMM CC[C@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)C[C@@H](C)O1 ZINC001590525531 1173452622 /nfs/dbraw/zinc/45/26/22/1173452622.db2.gz ZHWXWEFGBPMQJY-BDAKNGLRSA-N -1 1 294.384 1.323 20 0 CDADMM CCCN=c1[n-]nc(SCCc2c[nH]nn2)s1 ZINC000555871460 290241991 /nfs/dbraw/zinc/24/19/91/290241991.db2.gz YKDCRTFYWUSAJL-UHFFFAOYSA-N -1 1 270.387 1.235 20 0 CDADMM CCCN=c1[n-]nc(SCCc2cnn[nH]2)s1 ZINC000555871460 290241993 /nfs/dbraw/zinc/24/19/93/290241993.db2.gz YKDCRTFYWUSAJL-UHFFFAOYSA-N -1 1 270.387 1.235 20 0 CDADMM Fc1ccccc1CN=c1ccc(N2CCCCN2)n[n-]1 ZINC000561227344 293066995 /nfs/dbraw/zinc/06/69/95/293066995.db2.gz JUAXSGFZPATVQO-UHFFFAOYSA-N -1 1 287.342 1.755 20 0 CDADMM CCCCn1nnnc1CSc1nc(C(=O)OC)c[n-]1 ZINC000562409018 293152611 /nfs/dbraw/zinc/15/26/11/293152611.db2.gz HKZFHPRHXMAOFU-UHFFFAOYSA-N -1 1 296.356 1.275 20 0 CDADMM CCC[C@H](COC(=O)c1csc(-c2nnn[n-]2)c1)OC ZINC001590557610 1173461897 /nfs/dbraw/zinc/46/18/97/1173461897.db2.gz DJQSGFPLWCKECQ-SECBINFHSA-N -1 1 296.352 1.900 20 0 CDADMM CCC[C@H](COC(=O)c1csc(-c2nn[n-]n2)c1)OC ZINC001590557610 1173461904 /nfs/dbraw/zinc/46/19/04/1173461904.db2.gz DJQSGFPLWCKECQ-SECBINFHSA-N -1 1 296.352 1.900 20 0 CDADMM CCCC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001590576620 1173469286 /nfs/dbraw/zinc/46/92/86/1173469286.db2.gz CJUXHGQCACAFTF-VIFPVBQESA-N -1 1 261.333 1.672 20 0 CDADMM CCCC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001590576620 1173469294 /nfs/dbraw/zinc/46/92/94/1173469294.db2.gz CJUXHGQCACAFTF-VIFPVBQESA-N -1 1 261.333 1.672 20 0 CDADMM Cc1cnc(SCC(=O)N(C)C2CC2)[n-]c1=O ZINC000568414133 294035389 /nfs/dbraw/zinc/03/53/89/294035389.db2.gz BLUCLRBCNNCTDY-UHFFFAOYSA-N -1 1 253.327 1.204 20 0 CDADMM O=C([O-])c1coc(=NC[C@@H](c2ccco2)N2CCCC2)[nH]1 ZINC000571765511 294501588 /nfs/dbraw/zinc/50/15/88/294501588.db2.gz ALOGGGHSDNMGHF-NSHDSACASA-N -1 1 291.307 1.637 20 0 CDADMM CCO[C@@H](CC)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000574778747 295053794 /nfs/dbraw/zinc/05/37/94/295053794.db2.gz JWYPNOOGMJLPSE-JTQLQIEISA-N -1 1 275.312 1.620 20 0 CDADMM C[C@H]1COC[C@@H](c2ccccc2)N1Cc1nc(=O)n(C)[n-]1 ZINC000347524785 300360344 /nfs/dbraw/zinc/36/03/44/300360344.db2.gz CPHJGLODGOXZAE-AAEUAGOBSA-N -1 1 288.351 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1174546760 /nfs/dbraw/zinc/54/67/60/1174546760.db2.gz YJXFDWURYKMVQF-JTQLQIEISA-N -1 1 276.296 1.325 20 0 CDADMM Cc1nnc([C@@H](C)OC(=O)C2(C(=O)[O-])CC3(CCC3)C2)[nH]1 ZINC001600666969 1174555027 /nfs/dbraw/zinc/55/50/27/1174555027.db2.gz LNEMRMOUXLZKBM-MRVPVSSYSA-N -1 1 293.323 1.752 20 0 CDADMM Cc1nc(CC(=O)N[C@@H](CC(=O)[O-])c2cccs2)n[nH]1 ZINC001600671676 1174558692 /nfs/dbraw/zinc/55/86/92/1174558692.db2.gz UCZDLOPYDUREDG-QMMMGPOBSA-N -1 1 294.336 1.049 20 0 CDADMM Cc1oc(CN(C)C(=O)[C@@H]2CCCN2C)cc1C(=O)[O-] ZINC001600842849 1174637723 /nfs/dbraw/zinc/63/77/23/1174637723.db2.gz MJMMORVGXCINQF-LBPRGKRZSA-N -1 1 280.324 1.339 20 0 CDADMM Cc1oc(CN2CCC3(COC(=O)N3)CC2)cc1C(=O)[O-] ZINC001600844288 1174639670 /nfs/dbraw/zinc/63/96/70/1174639670.db2.gz AUPFBKNTJIMPOI-UHFFFAOYSA-N -1 1 294.307 1.361 20 0 CDADMM Cc1oc(CN2C[C@@H](O)CC(C)(C)C2)cc1C(=O)[O-] ZINC001600845019 1174639847 /nfs/dbraw/zinc/63/98/47/1174639847.db2.gz DWPLORQNZZVEOJ-JTQLQIEISA-N -1 1 267.325 1.879 20 0 CDADMM Cc1oc(CNCc2n[nH]c(C(C)(C)C)n2)cc1C(=O)[O-] ZINC001600851974 1174643516 /nfs/dbraw/zinc/64/35/16/1174643516.db2.gz BTJKHRHWTUBMKR-UHFFFAOYSA-N -1 1 292.339 1.992 20 0 CDADMM C[C@@H]1CN(Cc2ccccc2NCC(=O)[O-])C[C@@H](C)O1 ZINC000737764756 574504319 /nfs/dbraw/zinc/50/43/19/574504319.db2.gz SXZDYTATXCUZNE-VXGBXAGGSA-N -1 1 278.352 1.792 20 0 CDADMM CCCC[C@@H](CC)CNC(=O)CCn1cc[n-]c(=O)c1=O ZINC000726871676 574507819 /nfs/dbraw/zinc/50/78/19/574507819.db2.gz QACGVLQOZNMBFK-GFCCVEGCSA-N -1 1 295.383 1.259 20 0 CDADMM Cc1cc(CN2CCC[C@H](n3cncn3)C2)oc1C(=O)[O-] ZINC000738382587 574527290 /nfs/dbraw/zinc/52/72/90/574527290.db2.gz KXZAKAUUZHBFJS-NSHDSACASA-N -1 1 290.323 1.715 20 0 CDADMM O=C(NCc1cocn1)c1c([O-])cccc1Cl ZINC000730842552 575016175 /nfs/dbraw/zinc/01/61/75/575016175.db2.gz GKFIDIHYPFUWPF-UHFFFAOYSA-N -1 1 252.657 1.964 20 0 CDADMM CCc1nc(NC(=O)CN(C)C[C@@H](C)C(=O)[O-])sc1C ZINC000737282434 575043609 /nfs/dbraw/zinc/04/36/09/575043609.db2.gz DZWDULGYJJZKQS-MRVPVSSYSA-N -1 1 299.396 1.605 20 0 CDADMM CCCN(CC)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736469121 575671127 /nfs/dbraw/zinc/67/11/27/575671127.db2.gz FJMMIEFYHNVKHB-UHFFFAOYSA-N -1 1 260.301 1.134 20 0 CDADMM CCCN(CC)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736469121 575671128 /nfs/dbraw/zinc/67/11/28/575671128.db2.gz FJMMIEFYHNVKHB-UHFFFAOYSA-N -1 1 260.301 1.134 20 0 CDADMM C[C@@H](CC(=O)N1CCO[C@H](c2nn[n-]n2)C1)CC(C)(C)C ZINC000732090693 575079247 /nfs/dbraw/zinc/07/92/47/575079247.db2.gz MCWVJKAHERDCEI-QWRGUYRKSA-N -1 1 295.387 1.562 20 0 CDADMM CN(Cc1cccc(C(N)=O)c1)C(=O)c1cncc([O-])c1 ZINC000732275317 575085693 /nfs/dbraw/zinc/08/56/93/575085693.db2.gz IXHORKCCPYPWPS-UHFFFAOYSA-N -1 1 285.303 1.158 20 0 CDADMM CONC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000732952628 575099364 /nfs/dbraw/zinc/09/93/64/575099364.db2.gz CVCFWUASOSNWGV-UHFFFAOYSA-N -1 1 297.108 1.582 20 0 CDADMM COC(=O)c1ccsc1[N-]C(=O)c1nonc1C ZINC000733922211 575146381 /nfs/dbraw/zinc/14/63/81/575146381.db2.gz QJTOPTCAVFPIIP-UHFFFAOYSA-N -1 1 267.266 1.478 20 0 CDADMM COC(=O)[C@@H]1COCCN1C(=O)c1c([O-])cccc1Cl ZINC000769937330 575399694 /nfs/dbraw/zinc/39/96/94/575399694.db2.gz CVDXXEDAMYKCFX-VIFPVBQESA-N -1 1 299.710 1.060 20 0 CDADMM CN1C(=O)CN(NC(=O)c2cc3ccccc3cc2[O-])C1=O ZINC000770536793 575461966 /nfs/dbraw/zinc/46/19/66/575461966.db2.gz MMIVLYCGMJTGRB-UHFFFAOYSA-N -1 1 299.286 1.084 20 0 CDADMM CC(C)(C)c1n[nH]c([C@@H]2CN(CCCC(=O)[O-])CCO2)n1 ZINC000736298625 575615327 /nfs/dbraw/zinc/61/53/27/575615327.db2.gz DMGSTOCPCBZAJD-JTQLQIEISA-N -1 1 296.371 1.340 20 0 CDADMM CC[C@@](C)(O)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736317553 575621165 /nfs/dbraw/zinc/62/11/65/575621165.db2.gz YMXLNEKDIUUACP-LLVKDONJSA-N -1 1 282.735 1.488 20 0 CDADMM CC[C@@](C)(O)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736317553 575621169 /nfs/dbraw/zinc/62/11/69/575621169.db2.gz YMXLNEKDIUUACP-LLVKDONJSA-N -1 1 282.735 1.488 20 0 CDADMM CCCC(C)(C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736415245 575652264 /nfs/dbraw/zinc/65/22/64/575652264.db2.gz FOVFJBSEIQHBSM-UHFFFAOYSA-N -1 1 274.328 1.570 20 0 CDADMM CCCC(C)(C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736415245 575652266 /nfs/dbraw/zinc/65/22/66/575652266.db2.gz FOVFJBSEIQHBSM-UHFFFAOYSA-N -1 1 274.328 1.570 20 0 CDADMM CCC[C@](C)(O)CNc1cccc(-c2nnn[n-]2)n1 ZINC000736418411 575654484 /nfs/dbraw/zinc/65/44/84/575654484.db2.gz DOUJMOXWYLATLA-LBPRGKRZSA-N -1 1 262.317 1.225 20 0 CDADMM CCC[C@](C)(O)CNc1cccc(-c2nn[n-]n2)n1 ZINC000736418411 575654486 /nfs/dbraw/zinc/65/44/86/575654486.db2.gz DOUJMOXWYLATLA-LBPRGKRZSA-N -1 1 262.317 1.225 20 0 CDADMM CCOCCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736627366 575707921 /nfs/dbraw/zinc/70/79/21/575707921.db2.gz UKFCJWPOUXKFDU-UHFFFAOYSA-N -1 1 285.307 1.218 20 0 CDADMM CCc1ccc(CN(C)c2nccnc2-c2nnn[n-]2)cc1 ZINC000736687507 575720047 /nfs/dbraw/zinc/72/00/47/575720047.db2.gz BZURRIQFFLXFOC-UHFFFAOYSA-N -1 1 295.350 1.856 20 0 CDADMM CCc1ccc(CN(C)c2nccnc2-c2nn[n-]n2)cc1 ZINC000736687507 575720048 /nfs/dbraw/zinc/72/00/48/575720048.db2.gz BZURRIQFFLXFOC-UHFFFAOYSA-N -1 1 295.350 1.856 20 0 CDADMM C[C@H]1CCCCN1CC(N)=NOCc1occc1C(=O)[O-] ZINC000736782262 575742787 /nfs/dbraw/zinc/74/27/87/575742787.db2.gz BCABIRVWNUBOGN-JTQLQIEISA-N -1 1 295.339 1.851 20 0 CDADMM O=C(NCCc1n[n-]c(=S)o1)c1n[nH]c2ccccc21 ZINC000773106393 575783303 /nfs/dbraw/zinc/78/33/03/575783303.db2.gz NWZPYJOLXQPRJR-UHFFFAOYSA-N -1 1 289.320 1.207 20 0 CDADMM O=C(NCCOC(=O)C1CC1)c1ccc([O-])cc1F ZINC000773448129 575811228 /nfs/dbraw/zinc/81/12/28/575811228.db2.gz DDTOUJDSQQHHKZ-UHFFFAOYSA-N -1 1 267.256 1.214 20 0 CDADMM Cc1ccnc(COC(=O)c2ccc([O-])cc2F)n1 ZINC000773567924 575826503 /nfs/dbraw/zinc/82/65/03/575826503.db2.gz OMUQKXZWAVDFAM-UHFFFAOYSA-N -1 1 262.240 1.987 20 0 CDADMM C[C@H](CN(C)C(=O)C1(F)CCCC1)c1nn[n-]n1 ZINC000774006938 575848071 /nfs/dbraw/zinc/84/80/71/575848071.db2.gz YUFCVZVPXJKMKQ-MRVPVSSYSA-N -1 1 255.297 1.044 20 0 CDADMM CSCCCCC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000737180578 575896521 /nfs/dbraw/zinc/89/65/21/575896521.db2.gz AJUISZKCQQTPPJ-UHFFFAOYSA-N -1 1 283.401 1.439 20 0 CDADMM CN(CC(=O)[O-])C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000737402280 575956223 /nfs/dbraw/zinc/95/62/23/575956223.db2.gz FPYVKFLSGLNBDH-UHFFFAOYSA-N -1 1 259.265 1.233 20 0 CDADMM Cc1cccc(OCCNc2nccnc2-c2nnn[n-]2)c1 ZINC000737412446 575958875 /nfs/dbraw/zinc/95/88/75/575958875.db2.gz ZQLJKFDWNQDQSZ-UHFFFAOYSA-N -1 1 297.322 1.456 20 0 CDADMM Cc1cccc(OCCNc2nccnc2-c2nn[n-]n2)c1 ZINC000737412446 575958876 /nfs/dbraw/zinc/95/88/76/575958876.db2.gz ZQLJKFDWNQDQSZ-UHFFFAOYSA-N -1 1 297.322 1.456 20 0 CDADMM Cc1cnc(NC(=O)N2CCC(c3nn[n-]n3)CC2)s1 ZINC000737444999 575966499 /nfs/dbraw/zinc/96/64/99/575966499.db2.gz FTCDKSJVOHQOIZ-UHFFFAOYSA-N -1 1 293.356 1.376 20 0 CDADMM CN(Cc1ccc(NC(=O)[C@@H]2CCCN2C)cc1)C(=O)[O-] ZINC000737477058 575972612 /nfs/dbraw/zinc/97/26/12/575972612.db2.gz FXSRXJDQUUFLNP-ZDUSSCGKSA-N -1 1 291.351 1.829 20 0 CDADMM CN1CCC[C@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000737518603 575981814 /nfs/dbraw/zinc/98/18/14/575981814.db2.gz DLHYRWWEFYFKOM-UONOGXRCSA-N -1 1 288.347 1.119 20 0 CDADMM CN1CCC[C@H]1C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000737523740 575985592 /nfs/dbraw/zinc/98/55/92/575985592.db2.gz UYNLLJYWPVNKPI-STQMWFEESA-N -1 1 276.336 1.065 20 0 CDADMM Cc1noc(C)c1CN(C)c1cccc(-c2nnn[n-]2)n1 ZINC000737536252 575987237 /nfs/dbraw/zinc/98/72/37/575987237.db2.gz GQVFDTGFSXNXQU-UHFFFAOYSA-N -1 1 285.311 1.503 20 0 CDADMM Cc1noc(C)c1CN(C)c1cccc(-c2nn[n-]n2)n1 ZINC000737536252 575987240 /nfs/dbraw/zinc/98/72/40/575987240.db2.gz GQVFDTGFSXNXQU-UHFFFAOYSA-N -1 1 285.311 1.503 20 0 CDADMM Clc1nsc(NCCn2cccn2)c1-c1nnn[n-]1 ZINC000737585103 575996679 /nfs/dbraw/zinc/99/66/79/575996679.db2.gz YUQSDBSRHZMQMR-UHFFFAOYSA-N -1 1 296.747 1.285 20 0 CDADMM Clc1nsc(NCCn2cccn2)c1-c1nn[n-]n1 ZINC000737585103 575996681 /nfs/dbraw/zinc/99/66/81/575996681.db2.gz YUQSDBSRHZMQMR-UHFFFAOYSA-N -1 1 296.747 1.285 20 0 CDADMM O=C(c1c([O-])cccc1Cl)N1CCC(CO)CC1 ZINC000765234703 576000554 /nfs/dbraw/zinc/00/05/54/576000554.db2.gz WYFWNZBLZMDBNK-UHFFFAOYSA-N -1 1 269.728 1.890 20 0 CDADMM CC(C)[C@H]1CC(=O)N(CN2CCC(C(=O)[O-])CC2)C1 ZINC000737617499 576002872 /nfs/dbraw/zinc/00/28/72/576002872.db2.gz SJCSKGHRJVBVLV-LBPRGKRZSA-N -1 1 268.357 1.245 20 0 CDADMM CC[C@@H](Cc1ccccc1)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765475388 576027792 /nfs/dbraw/zinc/02/77/92/576027792.db2.gz XCBHBCCEUZFBEX-LBPRGKRZSA-N -1 1 289.335 1.421 20 0 CDADMM CCC(CC)[C@H](C)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765496896 576030592 /nfs/dbraw/zinc/03/05/92/576030592.db2.gz NKVKTURGSJTKLA-QMMMGPOBSA-N -1 1 255.318 1.224 20 0 CDADMM Cc1cc(CNC(=O)[C@@H](CC(C)C)NC(=O)[O-])n[nH]1 ZINC000738383664 576065931 /nfs/dbraw/zinc/06/59/31/576065931.db2.gz BWFDKCJAICIOPW-SNVBAGLBSA-N -1 1 268.317 1.017 20 0 CDADMM c1ccc(C2(CNc3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC000738429410 576073519 /nfs/dbraw/zinc/07/35/19/576073519.db2.gz ZUALFMRCYKHCGZ-UHFFFAOYSA-N -1 1 293.334 1.800 20 0 CDADMM c1ccc(C2(CNc3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC000738429410 576073521 /nfs/dbraw/zinc/07/35/21/576073521.db2.gz ZUALFMRCYKHCGZ-UHFFFAOYSA-N -1 1 293.334 1.800 20 0 CDADMM Cc1ccc([C@H]2CCCN2[C@@H](C)C(=O)NCC(=O)[O-])o1 ZINC000738583764 576091364 /nfs/dbraw/zinc/09/13/64/576091364.db2.gz RHBDKPVLCVPVQO-WDEREUQCSA-N -1 1 280.324 1.314 20 0 CDADMM Cc1cccc(S(=O)(=O)Nc2cccnc2)c1C(=O)[O-] ZINC000738743357 576108069 /nfs/dbraw/zinc/10/80/69/576108069.db2.gz DLIINSYCMPZASK-UHFFFAOYSA-N -1 1 292.316 1.889 20 0 CDADMM Cc1oc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)cc1C(=O)[O-] ZINC000738977364 576144571 /nfs/dbraw/zinc/14/45/71/576144571.db2.gz CUBGVPXCWJHLFL-QWRGUYRKSA-N -1 1 296.367 1.173 20 0 CDADMM Cc1ccc([C@H](O)CNC(=O)c2ccc([O-])c(F)c2)o1 ZINC000768274117 576267816 /nfs/dbraw/zinc/26/78/16/576267816.db2.gz YRFWOYHQBCUWLF-GFCCVEGCSA-N -1 1 279.267 1.896 20 0 CDADMM Cc1nc(COC(=O)c2ccc([O-])cc2F)no1 ZINC000759592739 576408970 /nfs/dbraw/zinc/40/89/70/576408970.db2.gz GSWLJHNJIANIFN-UHFFFAOYSA-N -1 1 252.201 1.580 20 0 CDADMM O=C([O-])c1ccc(CNCc2ccccc2-n2cncn2)o1 ZINC000740133087 576429491 /nfs/dbraw/zinc/42/94/91/576429491.db2.gz UQOSGDAKPLHPKX-UHFFFAOYSA-N -1 1 298.302 1.848 20 0 CDADMM COC(=O)[C@@H](C[N-]C(=O)C(F)(F)F)CC(C)C ZINC000741718098 576569360 /nfs/dbraw/zinc/56/93/60/576569360.db2.gz MIYKQSGSMFEMRY-SSDOTTSWSA-N -1 1 255.236 1.500 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1ccc[nH]1 ZINC000747410386 576869029 /nfs/dbraw/zinc/86/90/29/576869029.db2.gz SIEFSEUUXKAOQF-UHFFFAOYSA-N -1 1 274.324 1.872 20 0 CDADMM COc1cc(C)[n-]c(=NNC(=S)NCC(C)C)n1 ZINC000747653273 576878691 /nfs/dbraw/zinc/87/86/91/576878691.db2.gz AJWODIHXPCIQDF-UHFFFAOYSA-N -1 1 269.374 1.241 20 0 CDADMM COCCOC1CN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000748404822 576910760 /nfs/dbraw/zinc/91/07/60/576910760.db2.gz SZTQYHCNEFUYRO-UHFFFAOYSA-N -1 1 285.727 1.533 20 0 CDADMM C[C@@]1(O)CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000748511430 576915879 /nfs/dbraw/zinc/91/58/79/576915879.db2.gz SCCPSVSXLJYYHG-GFCCVEGCSA-N -1 1 255.701 1.643 20 0 CDADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccnc(F)c1 ZINC000748714876 576922040 /nfs/dbraw/zinc/92/20/40/576922040.db2.gz 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290.327 1.405 20 0 CDADMM CC[C@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825066644 607570624 /nfs/dbraw/zinc/57/06/24/607570624.db2.gz CRPTXZGYWMHBNZ-ZETCQYMHSA-N -1 1 299.331 1.083 20 0 CDADMM CN(C)[C@@H](CNC(=O)CNC(=O)[O-])c1ccc(Cl)cc1 ZINC000827995166 603970184 /nfs/dbraw/zinc/97/01/84/603970184.db2.gz QSXOCVHMCUFJQO-NSHDSACASA-N -1 1 299.758 1.327 20 0 CDADMM CCc1cc(CNC(=O)c2ccc(C(=O)[O-])c(F)c2)n[nH]1 ZINC000830218750 604271970 /nfs/dbraw/zinc/27/19/70/604271970.db2.gz MOOQQTPXVAJUOT-UHFFFAOYSA-N -1 1 291.282 1.739 20 0 CDADMM C[C@H](N[C@H]1CCCN(C(=O)[O-])C1)c1cnccn1 ZINC000825478235 604327063 /nfs/dbraw/zinc/32/70/63/604327063.db2.gz FVLUYWVQRCRZEM-UWVGGRQHSA-N -1 1 250.302 1.270 20 0 CDADMM Cc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cn1 ZINC000164604216 604403207 /nfs/dbraw/zinc/40/32/07/604403207.db2.gz XUGOUKSNSDBNCL-UHFFFAOYSA-N -1 1 281.293 1.217 20 0 CDADMM C[C@@H]1CCCN(C(=O)CN[C@](C)(C(=O)[O-])C2CC2)C1 ZINC000833615092 604483843 /nfs/dbraw/zinc/48/38/43/604483843.db2.gz HVDHLMCPEWAHFS-YGRLFVJLSA-N -1 1 268.357 1.088 20 0 CDADMM Cc1nnc(COC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)[nH]1 ZINC000832999106 604669704 /nfs/dbraw/zinc/66/97/04/604669704.db2.gz CWIHLYILNTVISJ-RKDXNWHRSA-N -1 1 267.285 1.047 20 0 CDADMM CC(C)(C)CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833429547 604899588 /nfs/dbraw/zinc/89/95/88/604899588.db2.gz OVWOOIYQBMUGEV-NSHDSACASA-N -1 1 281.356 1.738 20 0 CDADMM C[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)[N-]OCc2ccccc2)C1 ZINC000833554015 604908903 /nfs/dbraw/zinc/90/89/03/604908903.db2.gz LSMTWKJWOYTERO-HNNXBMFYSA-N -1 1 292.335 1.031 20 0 CDADMM C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000833627786 605090431 /nfs/dbraw/zinc/09/04/31/605090431.db2.gz UPEJWUVPDWAYCW-MLCFOIATSA-N -1 1 294.395 1.476 20 0 CDADMM CC(C)(CC(=O)[O-])CC(=O)N1CCN2CCCC[C@H]2C1 ZINC000061826984 605105124 /nfs/dbraw/zinc/10/51/24/605105124.db2.gz VBWSLRMNWSPBHY-LBPRGKRZSA-N -1 1 282.384 1.574 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1CCCCCC1 ZINC000833623130 605112152 /nfs/dbraw/zinc/11/21/52/605112152.db2.gz QRNPHBNRQJZZTG-ZDUSSCGKSA-N -1 1 296.411 1.964 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccccc1F ZINC000833622449 605114557 /nfs/dbraw/zinc/11/45/57/605114557.db2.gz BIEKWZWVVJRZSR-LLVKDONJSA-N -1 1 294.326 1.447 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C/C(Cl)=C\Cl ZINC000833629801 605188770 /nfs/dbraw/zinc/18/87/70/605188770.db2.gz ZVLUTPBEPMOGME-ZFZMKPAXSA-N -1 1 281.183 1.786 20 0 CDADMM C[C@@H]1CN(C(=O)CC2CCCCC2)CCN1CCC(=O)[O-] ZINC000833620856 605254416 /nfs/dbraw/zinc/25/44/16/605254416.db2.gz YGLMSWJLHKALRS-CYBMUJFWSA-N -1 1 296.411 1.964 20 0 CDADMM CC(C)(CC(=O)[O-])CC(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000833451023 605263951 /nfs/dbraw/zinc/26/39/51/605263951.db2.gz CPQLYLQKYCRUDP-UHFFFAOYSA-N -1 1 294.355 1.402 20 0 CDADMM O=C([O-])c1cccc(CN2CCSC[C@H]2CO)c1 ZINC000387893634 605382865 /nfs/dbraw/zinc/38/28/65/605382865.db2.gz SCUMDQLDFKMRPP-GFCCVEGCSA-N -1 1 267.350 1.295 20 0 CDADMM CCC(CC)(CO)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820887909 606098480 /nfs/dbraw/zinc/09/84/80/606098480.db2.gz XFHCPNZWCIQZAK-UHFFFAOYSA-N -1 1 296.762 1.878 20 0 CDADMM CCC(CC)(CO)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820887909 606098482 /nfs/dbraw/zinc/09/84/82/606098482.db2.gz XFHCPNZWCIQZAK-UHFFFAOYSA-N -1 1 296.762 1.878 20 0 CDADMM C[C@@H]1c2ccccc2CN1c1nccnc1-c1nnn[n-]1 ZINC000820827650 606137372 /nfs/dbraw/zinc/13/73/72/606137372.db2.gz VGYKQJNQFAHPDC-SECBINFHSA-N -1 1 279.307 1.738 20 0 CDADMM C[C@@H]1c2ccccc2CN1c1nccnc1-c1nn[n-]n1 ZINC000820827650 606137373 /nfs/dbraw/zinc/13/73/73/606137373.db2.gz VGYKQJNQFAHPDC-SECBINFHSA-N -1 1 279.307 1.738 20 0 CDADMM O=C([N-]c1cnoc1)c1cc(-c2nn[nH]n2)cs1 ZINC000823375852 606501433 /nfs/dbraw/zinc/50/14/33/606501433.db2.gz MRDFMOQALCPTDN-UHFFFAOYSA-N -1 1 262.254 1.169 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)CCS1 ZINC000820742210 606549920 /nfs/dbraw/zinc/54/99/20/606549920.db2.gz IBXUDJHCVFRYFG-SSDOTTSWSA-N -1 1 295.393 1.506 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CCS1 ZINC000820742210 606549922 /nfs/dbraw/zinc/54/99/22/606549922.db2.gz IBXUDJHCVFRYFG-SSDOTTSWSA-N -1 1 295.393 1.506 20 0 CDADMM Cn1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822688770 606582611 /nfs/dbraw/zinc/58/26/11/606582611.db2.gz AGPVCTNKUDDYEA-UHFFFAOYSA-N -1 1 288.336 1.197 20 0 CDADMM Cn1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822688770 606582613 /nfs/dbraw/zinc/58/26/13/606582613.db2.gz AGPVCTNKUDDYEA-UHFFFAOYSA-N -1 1 288.336 1.197 20 0 CDADMM CO[C@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)n2)C1(C)C ZINC000821678584 606609748 /nfs/dbraw/zinc/60/97/48/606609748.db2.gz PPSOIUZFFBVTBB-UWVGGRQHSA-N -1 1 274.328 1.487 20 0 CDADMM CO[C@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)n2)C1(C)C ZINC000821678584 606609750 /nfs/dbraw/zinc/60/97/50/606609750.db2.gz PPSOIUZFFBVTBB-UWVGGRQHSA-N -1 1 274.328 1.487 20 0 CDADMM C[C@]1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CCCO1 ZINC000820623476 606724074 /nfs/dbraw/zinc/72/40/74/606724074.db2.gz RTYFCXYRJWJTEM-GFCCVEGCSA-N -1 1 294.746 1.896 20 0 CDADMM C[C@]1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CCCO1 ZINC000820623476 606724075 /nfs/dbraw/zinc/72/40/75/606724075.db2.gz RTYFCXYRJWJTEM-GFCCVEGCSA-N -1 1 294.746 1.896 20 0 CDADMM CC(C)(C)[C@H](CO)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000819899559 606788069 /nfs/dbraw/zinc/78/80/69/606788069.db2.gz WWRIUTFZICTUOB-QMMMGPOBSA-N -1 1 296.762 1.734 20 0 CDADMM CC(C)(C)[C@H](CO)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000819899559 606788070 /nfs/dbraw/zinc/78/80/70/606788070.db2.gz WWRIUTFZICTUOB-QMMMGPOBSA-N -1 1 296.762 1.734 20 0 CDADMM Cn1cncc1COc1cccc(F)c1-c1nn[n-]n1 ZINC000826365637 607867040 /nfs/dbraw/zinc/86/70/40/607867040.db2.gz WQEQLJHGBJQGPR-UHFFFAOYSA-N -1 1 274.259 1.318 20 0 CDADMM C[C@H](CCO)Sc1cccc(-c2nnn[n-]2)n1 ZINC000824407205 607900635 /nfs/dbraw/zinc/90/06/35/607900635.db2.gz VSLMDRCVRKOCNK-SSDOTTSWSA-N -1 1 251.315 1.125 20 0 CDADMM C[C@H](CCO)Sc1cccc(-c2nn[n-]n2)n1 ZINC000824407205 607900636 /nfs/dbraw/zinc/90/06/36/607900636.db2.gz VSLMDRCVRKOCNK-SSDOTTSWSA-N -1 1 251.315 1.125 20 0 CDADMM CC=CC=CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825028302 607998978 /nfs/dbraw/zinc/99/89/78/607998978.db2.gz GSDHTWGAYDVOJB-MQQKCMAXSA-N -1 1 271.280 1.643 20 0 CDADMM Cc1cncc(CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826319637 608017416 /nfs/dbraw/zinc/01/74/16/608017416.db2.gz LISOVKGWDYRKEG-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1cncc(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826319637 608017417 /nfs/dbraw/zinc/01/74/17/608017417.db2.gz LISOVKGWDYRKEG-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM CCOC(=O)CC[C@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000825506060 608018816 /nfs/dbraw/zinc/01/88/16/608018816.db2.gz CQYILODDLWHIRO-VIFPVBQESA-N -1 1 290.327 1.405 20 0 CDADMM CCCN(CC(=O)OCC)c1cccc(-c2nnn[n-]2)n1 ZINC000825307647 608292276 /nfs/dbraw/zinc/29/22/76/608292276.db2.gz JFRNLLMVXLVDOM-UHFFFAOYSA-N -1 1 290.327 1.041 20 0 CDADMM CCCN(CC(=O)OCC)c1cccc(-c2nn[n-]n2)n1 ZINC000825307647 608292278 /nfs/dbraw/zinc/29/22/78/608292278.db2.gz JFRNLLMVXLVDOM-UHFFFAOYSA-N -1 1 290.327 1.041 20 0 CDADMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)CC[C@@H]1C ZINC000824962220 608302951 /nfs/dbraw/zinc/30/29/51/608302951.db2.gz QLVCTCXYJMEWIJ-UWVGGRQHSA-N -1 1 258.329 1.744 20 0 CDADMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)CC[C@@H]1C ZINC000824962220 608302953 /nfs/dbraw/zinc/30/29/53/608302953.db2.gz QLVCTCXYJMEWIJ-UWVGGRQHSA-N -1 1 258.329 1.744 20 0 CDADMM Fc1ccc(Oc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826376243 608388501 /nfs/dbraw/zinc/38/85/01/608388501.db2.gz UTGVTAWIOPQHHC-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM Fc1ccc(Oc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826376243 608388503 /nfs/dbraw/zinc/38/85/03/608388503.db2.gz UTGVTAWIOPQHHC-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CCC[C@H]2c2ccncc2)c1 ZINC000826514287 608399437 /nfs/dbraw/zinc/39/94/37/608399437.db2.gz MVMLIWUOGOHYLM-ZDUSSCGKSA-N -1 1 293.334 1.998 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CCC[C@H]2c2ccncc2)c1 ZINC000826514287 608399438 /nfs/dbraw/zinc/39/94/38/608399438.db2.gz MVMLIWUOGOHYLM-ZDUSSCGKSA-N -1 1 293.334 1.998 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NCCOC1CCCCC1 ZINC000826515117 608403721 /nfs/dbraw/zinc/40/37/21/608403721.db2.gz NOOBAJLMLDIVQH-UHFFFAOYSA-N -1 1 289.343 1.418 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NCCOC1CCCCC1 ZINC000826515117 608403723 /nfs/dbraw/zinc/40/37/23/608403723.db2.gz NOOBAJLMLDIVQH-UHFFFAOYSA-N -1 1 289.343 1.418 20 0 CDADMM C[C@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000824936596 608417222 /nfs/dbraw/zinc/41/72/22/608417222.db2.gz KBBSMSRZKQKSMN-VIFPVBQESA-N -1 1 259.317 1.426 20 0 CDADMM C[C@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000824936596 608417224 /nfs/dbraw/zinc/41/72/24/608417224.db2.gz KBBSMSRZKQKSMN-VIFPVBQESA-N -1 1 259.317 1.426 20 0 CDADMM CC[C@@H](C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825058820 608424560 /nfs/dbraw/zinc/42/45/60/608424560.db2.gz AGFDQXUSIMZCCK-RKDXNWHRSA-N -1 1 261.333 1.893 20 0 CDADMM CC[C@@H](C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825058820 608424563 /nfs/dbraw/zinc/42/45/63/608424563.db2.gz AGFDQXUSIMZCCK-RKDXNWHRSA-N -1 1 261.333 1.893 20 0 CDADMM c1[nH]nc2cc(Oc3ccc(-c4nnn[n-]4)nn3)ccc12 ZINC000826518688 608429714 /nfs/dbraw/zinc/42/97/14/608429714.db2.gz VESBPYPBSRUXMJ-UHFFFAOYSA-N -1 1 280.251 1.325 20 0 CDADMM c1[nH]nc2cc(Oc3ccc(-c4nn[n-]n4)nn3)ccc12 ZINC000826518688 608429715 /nfs/dbraw/zinc/42/97/15/608429715.db2.gz VESBPYPBSRUXMJ-UHFFFAOYSA-N -1 1 280.251 1.325 20 0 CDADMM FC1(F)CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826370132 608434760 /nfs/dbraw/zinc/43/47/60/608434760.db2.gz FILMGXRGRQDHOB-ZETCQYMHSA-N -1 1 281.270 1.647 20 0 CDADMM FC1(F)CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826370132 608434761 /nfs/dbraw/zinc/43/47/61/608434761.db2.gz FILMGXRGRQDHOB-ZETCQYMHSA-N -1 1 281.270 1.647 20 0 CDADMM COCCn1cc(Nc2ccncc2C(=O)[O-])cn1 ZINC000126058615 1175431772 /nfs/dbraw/zinc/43/17/72/1175431772.db2.gz RMLXCIDZLJPPPD-UHFFFAOYSA-N -1 1 262.269 1.366 20 0 CDADMM c1cn(CCOC2CCCCCC2)c(-c2nnn[n-]2)n1 ZINC000826524941 608893527 /nfs/dbraw/zinc/89/35/27/608893527.db2.gz PFHXLWTVUFPUMV-UHFFFAOYSA-N -1 1 276.344 1.803 20 0 CDADMM c1cn(CCOC2CCCCCC2)c(-c2nn[n-]n2)n1 ZINC000826524941 608893530 /nfs/dbraw/zinc/89/35/30/608893530.db2.gz PFHXLWTVUFPUMV-UHFFFAOYSA-N -1 1 276.344 1.803 20 0 CDADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1cncc(F)c1 ZINC000824662276 609386735 /nfs/dbraw/zinc/38/67/35/609386735.db2.gz HHZJQTPEVISJQA-QMMMGPOBSA-N -1 1 285.286 1.969 20 0 CDADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1cncc(F)c1 ZINC000824662276 609386737 /nfs/dbraw/zinc/38/67/37/609386737.db2.gz HHZJQTPEVISJQA-QMMMGPOBSA-N -1 1 285.286 1.969 20 0 CDADMM Fc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cn1 ZINC000826375294 609445004 /nfs/dbraw/zinc/44/50/04/609445004.db2.gz HMXLPSKBHFCOBS-UHFFFAOYSA-N -1 1 260.232 1.606 20 0 CDADMM Fc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cn1 ZINC000826375294 609445005 /nfs/dbraw/zinc/44/50/05/609445005.db2.gz HMXLPSKBHFCOBS-UHFFFAOYSA-N -1 1 260.232 1.606 20 0 CDADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@H](O)[C@@H](F)C1 ZINC000890687900 617276304 /nfs/dbraw/zinc/27/63/04/617276304.db2.gz NXTHAPMGBREUJK-YUMQZZPRSA-N -1 1 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1.280 20 0 CDADMM CC[C@@H]1CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001605170727 1163476373 /nfs/dbraw/zinc/47/63/73/1163476373.db2.gz FGJVYLJKTFGMPF-SNVBAGLBSA-N -1 1 277.324 1.450 20 0 CDADMM CCCCN(CCCO)[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001605277112 1163510431 /nfs/dbraw/zinc/51/04/31/1163510431.db2.gz KUZLZGUFFSVTKF-JTQLQIEISA-N -1 1 270.329 1.918 20 0 CDADMM CCN(CCc1nccs1)Cc1cc(C(=O)[O-])no1 ZINC001605453765 1163572511 /nfs/dbraw/zinc/57/25/11/1163572511.db2.gz SLJFWFFXSXBYMK-UHFFFAOYSA-N -1 1 281.337 1.894 20 0 CDADMM CCN1CCC[C@@]2(C1)NC(c1ccc(C(=O)[O-])cc1)=NO2 ZINC001605477614 1163582325 /nfs/dbraw/zinc/58/23/25/1163582325.db2.gz NFZRAVXPCROGHC-OAHLLOKOSA-N -1 1 289.335 1.478 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCS[C@H](C)CC2)c1 ZINC001605563620 1163611519 /nfs/dbraw/zinc/61/15/19/1163611519.db2.gz BVTKAVZPLOSBLT-SNVBAGLBSA-N -1 1 290.396 1.902 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCS[C@H](C)CC2)c1 ZINC001605563620 1163611536 /nfs/dbraw/zinc/61/15/36/1163611536.db2.gz BVTKAVZPLOSBLT-SNVBAGLBSA-N -1 1 290.396 1.902 20 0 CDADMM Cc1coc(Sc2nc(C)cc(-c3nnn[n-]3)n2)n1 ZINC001605585302 1163616798 /nfs/dbraw/zinc/61/67/98/1163616798.db2.gz OZBOUTPYEXPPBU-UHFFFAOYSA-N -1 1 275.297 1.413 20 0 CDADMM Cc1coc(Sc2nc(C)cc(-c3nn[n-]n3)n2)n1 ZINC001605585302 1163616801 /nfs/dbraw/zinc/61/68/01/1163616801.db2.gz OZBOUTPYEXPPBU-UHFFFAOYSA-N -1 1 275.297 1.413 20 0 CDADMM Cc1cc(NC[C@H]2CCC[C@H](O)C2)nc(-c2nnn[n-]2)c1 ZINC001605732055 1163654079 /nfs/dbraw/zinc/65/40/79/1163654079.db2.gz TUJGRYMVHGCIRP-QWRGUYRKSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1cc(NC[C@H]2CCC[C@H](O)C2)nc(-c2nn[n-]n2)c1 ZINC001605732055 1163654082 /nfs/dbraw/zinc/65/40/82/1163654082.db2.gz TUJGRYMVHGCIRP-QWRGUYRKSA-N -1 1 288.355 1.533 20 0 CDADMM CCc1nc[nH]c1C(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001605860378 1163693809 /nfs/dbraw/zinc/69/38/09/1163693809.db2.gz RQQSIDYLAIFPSN-UHFFFAOYSA-N -1 1 289.295 1.065 20 0 CDADMM Cc1ccc(NC[C@H](CO)C(C)C)c(-c2nnn[n-]2)n1 ZINC001605875090 1163703605 /nfs/dbraw/zinc/70/36/05/1163703605.db2.gz XTVSADJGEMUBOL-SNVBAGLBSA-N -1 1 276.344 1.247 20 0 CDADMM Cc1ccc(NC[C@H](CO)C(C)C)c(-c2nn[n-]n2)n1 ZINC001605875090 1163703611 /nfs/dbraw/zinc/70/36/11/1163703611.db2.gz XTVSADJGEMUBOL-SNVBAGLBSA-N -1 1 276.344 1.247 20 0 CDADMM CCc1onc(C)c1CN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001605894610 1163710387 /nfs/dbraw/zinc/71/03/87/1163710387.db2.gz AOJFUFDNYVWZDP-CYBMUJFWSA-N -1 1 282.340 1.203 20 0 CDADMM Cc1cccc(CCNc2cc(C)nc(-c3nn[n-]n3)c2)n1 ZINC001605913403 1163711403 /nfs/dbraw/zinc/71/14/03/1163711403.db2.gz JATSFEKXFGKYAL-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1cccnc1CCNc1cc(-c2nnn[n-]2)ncn1 ZINC001605947299 1163723967 /nfs/dbraw/zinc/72/39/67/1163723967.db2.gz FRLYINJCZXJIOD-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1cccnc1CCNc1cc(-c2nn[n-]n2)ncn1 ZINC001605947299 1163723974 /nfs/dbraw/zinc/72/39/74/1163723974.db2.gz FRLYINJCZXJIOD-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@H]2CC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001606013494 1163743331 /nfs/dbraw/zinc/74/33/31/1163743331.db2.gz ROXOEARGRIUMKB-SVRRBLITSA-N -1 1 275.316 1.273 20 0 CDADMM CN(C)C1CN(C(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)C1 ZINC001606016383 1163745819 /nfs/dbraw/zinc/74/58/19/1163745819.db2.gz KBETUNCCQRAXKX-XJKSGUPXSA-N -1 1 288.347 1.017 20 0 CDADMM Cc1nc(NC[C@@H]2CCCC2(F)F)cc(-c2nnn[n-]2)n1 ZINC001606069369 1163763047 /nfs/dbraw/zinc/76/30/47/1163763047.db2.gz FLLGJQCURIYRJQ-QMMMGPOBSA-N -1 1 295.297 1.812 20 0 CDADMM Cc1nc(NC[C@@H]2CCCC2(F)F)cc(-c2nn[n-]n2)n1 ZINC001606069369 1163763049 /nfs/dbraw/zinc/76/30/49/1163763049.db2.gz FLLGJQCURIYRJQ-QMMMGPOBSA-N -1 1 295.297 1.812 20 0 CDADMM Cc1nnc(CSCc2ccc(-c3nnn[n-]3)o2)o1 ZINC001606120394 1163778975 /nfs/dbraw/zinc/77/89/75/1163778975.db2.gz RHHJTPNMNHJZDB-UHFFFAOYSA-N -1 1 278.297 1.585 20 0 CDADMM Cc1nnc(CSCc2ccc(-c3nn[n-]n3)o2)o1 ZINC001606120394 1163778982 /nfs/dbraw/zinc/77/89/82/1163778982.db2.gz RHHJTPNMNHJZDB-UHFFFAOYSA-N -1 1 278.297 1.585 20 0 CDADMM CN(Cc1nnc[nH]1)Cc1ccccc1CC(=O)[O-] ZINC001606179359 1163798822 /nfs/dbraw/zinc/79/88/22/1163798822.db2.gz PIXIEDBTIKQDPP-UHFFFAOYSA-N -1 1 260.297 1.064 20 0 CDADMM F[C@@H]1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001606300467 1163845018 /nfs/dbraw/zinc/84/50/18/1163845018.db2.gz VOIVOJGOEYLCKW-SFYZADRCSA-N -1 1 263.280 1.349 20 0 CDADMM F[C@@H]1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001606300467 1163845020 /nfs/dbraw/zinc/84/50/20/1163845020.db2.gz VOIVOJGOEYLCKW-SFYZADRCSA-N -1 1 263.280 1.349 20 0 CDADMM O=C(C[C@H]1C=CCC1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001606493923 1163916401 /nfs/dbraw/zinc/91/64/01/1163916401.db2.gz CDLCEBYWQZUNLW-VIFPVBQESA-N -1 1 285.307 1.867 20 0 CDADMM COC(CN1CCc2ccc(C(=O)[O-])cc2C1)OC ZINC001606673578 1163956037 /nfs/dbraw/zinc/95/60/37/1163956037.db2.gz MRTPDFJKSZWSSG-UHFFFAOYSA-N -1 1 265.309 1.362 20 0 CDADMM CO[C@@H](CN1C[C@H](C)O[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001606673426 1163956229 /nfs/dbraw/zinc/95/62/29/1163956229.db2.gz JSONXQMCGYKSBM-UBHSHLNASA-N -1 1 279.336 1.548 20 0 CDADMM O=C(NCCC1CSC1)c1csc(-c2nn[n-]n2)c1 ZINC001606764984 1163987077 /nfs/dbraw/zinc/98/70/77/1163987077.db2.gz XZMAMSMQZHBAKN-UHFFFAOYSA-N -1 1 295.393 1.411 20 0 CDADMM CO[C@H]1CN(C(=O)c2cccc(F)c2O)[C@@](C)(C(=O)[O-])C1 ZINC001606765190 1163988021 /nfs/dbraw/zinc/98/80/21/1163988021.db2.gz LYWPUGZXCVNMGB-XLKFXECMSA-N -1 1 297.282 1.236 20 0 CDADMM O=C(Nc1cccc(C2CC2)n1)c1ccc(-c2nn[n-]n2)o1 ZINC001606934562 1164032611 /nfs/dbraw/zinc/03/26/11/1164032611.db2.gz GILOFDKBGVYPKY-UHFFFAOYSA-N -1 1 296.290 1.984 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1CCC(F)(F)C1 ZINC001606932885 1164032701 /nfs/dbraw/zinc/03/27/01/1164032701.db2.gz CERQSVTXXVWKKN-SSDOTTSWSA-N -1 1 294.265 1.636 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1CCC(F)(F)C1 ZINC001606932885 1164032706 /nfs/dbraw/zinc/03/27/06/1164032706.db2.gz CERQSVTXXVWKKN-SSDOTTSWSA-N -1 1 294.265 1.636 20 0 CDADMM O[C@H]1CCCC[C@H]1CCNc1ccnc(-c2nnn[n-]2)c1 ZINC001607109492 1164090330 /nfs/dbraw/zinc/09/03/30/1164090330.db2.gz WLIDISWKFDLIFY-GWCFXTLKSA-N -1 1 288.355 1.615 20 0 CDADMM O[C@H]1CCCC[C@H]1CCNc1ccnc(-c2nn[n-]n2)c1 ZINC001607109492 1164090334 /nfs/dbraw/zinc/09/03/34/1164090334.db2.gz WLIDISWKFDLIFY-GWCFXTLKSA-N -1 1 288.355 1.615 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1N[C@@H]1C[C@H]2CCC[C@H]21 ZINC001607116496 1164095613 /nfs/dbraw/zinc/09/56/13/1164095613.db2.gz MSKFPJCXARKCNH-NQMVMOMDSA-N -1 1 257.301 1.257 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1N[C@@H]1C[C@H]2CCC[C@H]21 ZINC001607116496 1164095619 /nfs/dbraw/zinc/09/56/19/1164095619.db2.gz MSKFPJCXARKCNH-NQMVMOMDSA-N -1 1 257.301 1.257 20 0 CDADMM c1cc([C@H]2CCN(c3cc(-c4nnn[n-]4)ncn3)C2)ccn1 ZINC001607118182 1164098911 /nfs/dbraw/zinc/09/89/11/1164098911.db2.gz TYDWNZDRKPLHLT-NSHDSACASA-N -1 1 294.322 1.046 20 0 CDADMM c1cc([C@H]2CCN(c3cc(-c4nn[n-]n4)ncn3)C2)ccn1 ZINC001607118182 1164098913 /nfs/dbraw/zinc/09/89/13/1164098913.db2.gz TYDWNZDRKPLHLT-NSHDSACASA-N -1 1 294.322 1.046 20 0 CDADMM c1cc2c(c(CNc3ccnc(-c4nnn[n-]4)c3)c1)OCO2 ZINC001607119190 1164100728 /nfs/dbraw/zinc/10/07/28/1164100728.db2.gz RFIAWUZCTDCZBQ-UHFFFAOYSA-N -1 1 296.290 1.024 20 0 CDADMM c1cc2c(c(CNc3ccnc(-c4nn[n-]n4)c3)c1)OCO2 ZINC001607119190 1164100730 /nfs/dbraw/zinc/10/07/30/1164100730.db2.gz RFIAWUZCTDCZBQ-UHFFFAOYSA-N -1 1 296.290 1.024 20 0 CDADMM c1cc(NC[C@@H]2CC[C@H](C3CC3)O2)nc(-c2nnn[n-]2)c1 ZINC001607121604 1164103798 /nfs/dbraw/zinc/10/37/98/1164103798.db2.gz QWYIWVLLUUWJQW-CMPLNLGQSA-N -1 1 286.339 1.631 20 0 CDADMM c1cc(NC[C@@H]2CC[C@H](C3CC3)O2)nc(-c2nn[n-]n2)c1 ZINC001607121604 1164103806 /nfs/dbraw/zinc/10/38/06/1164103806.db2.gz QWYIWVLLUUWJQW-CMPLNLGQSA-N -1 1 286.339 1.631 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OC[C@@H]2C[C@@H]3CCC[C@H]3O2)c1 ZINC001607134085 1164112375 /nfs/dbraw/zinc/11/23/75/1164112375.db2.gz UUYGMUBFNJZEKV-GARJFASQSA-N -1 1 287.323 1.598 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OC[C@@H]2C[C@@H]3CCC[C@H]3O2)c1 ZINC001607134085 1164112382 /nfs/dbraw/zinc/11/23/82/1164112382.db2.gz UUYGMUBFNJZEKV-GARJFASQSA-N -1 1 287.323 1.598 20 0 CDADMM c1csc(COc2cccnc2-c2nnn[n-]2)n1 ZINC001607133477 1164113450 /nfs/dbraw/zinc/11/34/50/1164113450.db2.gz HPGJFVCCDFMNEP-UHFFFAOYSA-N -1 1 260.282 1.297 20 0 CDADMM COc1cc(NCc2ccccc2OCC(=O)[O-])n[nH]1 ZINC001607181010 1164127247 /nfs/dbraw/zinc/12/72/47/1164127247.db2.gz LGKZONXUBKKMPE-UHFFFAOYSA-N -1 1 277.280 1.494 20 0 CDADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN[C@H]1C[C@H](O)C12CCC2 ZINC001607496161 1164206792 /nfs/dbraw/zinc/20/67/92/1164206792.db2.gz SWCZTGNELMLQAT-STQMWFEESA-N -1 1 292.335 1.097 20 0 CDADMM Cc1cc(C(=O)[O-])nc(NCc2cnc(C(C)C)[nH]2)n1 ZINC001607600638 1164235290 /nfs/dbraw/zinc/23/52/90/1164235290.db2.gz XFJRCEINVINEMA-UHFFFAOYSA-N -1 1 275.312 1.942 20 0 CDADMM Cn1ncc2cccc(Nc3c(N)[nH]c(=S)[n-]c3=O)c21 ZINC001175441091 1164304758 /nfs/dbraw/zinc/30/47/58/1164304758.db2.gz BDWQWLYRWKBBRQ-UHFFFAOYSA-N -1 1 288.336 1.683 20 0 CDADMM Cc1cncc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c1 ZINC001607909881 1164335390 /nfs/dbraw/zinc/33/53/90/1164335390.db2.gz OWLYZMUVXHNRNV-LBPRGKRZSA-N -1 1 291.351 1.011 20 0 CDADMM Cc1nnc(CN2CC[C@](C(=O)[O-])(c3ccccc3)C2)[nH]1 ZINC001607937055 1164345693 /nfs/dbraw/zinc/34/56/93/1164345693.db2.gz RFKOSZPEJWXXEW-OAHLLOKOSA-N -1 1 286.335 1.341 20 0 CDADMM Cc1[nH+]c(N[C@@H]2CCC[C@@H]2C(=O)[O-])ccc1C(=O)[O-] ZINC001607966449 1164355662 /nfs/dbraw/zinc/35/56/62/1164355662.db2.gz QNMPBYMCWCQCAX-VHSXEESVSA-N -1 1 264.281 1.753 20 0 CDADMM CC(=O)NC[C@H](C)CNC(=O)c1cc([O-])cc(F)c1F ZINC001192684732 1164383475 /nfs/dbraw/zinc/38/34/75/1164383475.db2.gz UTAJKXXEMCKOIO-ZETCQYMHSA-N -1 1 286.278 1.172 20 0 CDADMM Cn1cc(CN2CC(CC(F)F)C2)cc1C(=O)[O-] ZINC001608112144 1164411217 /nfs/dbraw/zinc/41/12/17/1164411217.db2.gz HSHMGGLWMSTRCF-UHFFFAOYSA-N -1 1 258.268 1.810 20 0 CDADMM Cn1cc([C@H]2CCCN(Cc3cc(C(=O)[O-])co3)C2)nn1 ZINC001608108038 1164411418 /nfs/dbraw/zinc/41/14/18/1164411418.db2.gz VHROWXFGUHVYIA-JTQLQIEISA-N -1 1 290.323 1.486 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2nc(C3CCC3)n[nH]2)c[nH]1 ZINC001608525035 1164531169 /nfs/dbraw/zinc/53/11/69/1164531169.db2.gz IAOGGKWJARGYSQ-UHFFFAOYSA-N -1 1 275.268 1.351 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2n[nH]c(C3CCC3)n2)c[nH]1 ZINC001608525035 1164531174 /nfs/dbraw/zinc/53/11/74/1164531174.db2.gz IAOGGKWJARGYSQ-UHFFFAOYSA-N -1 1 275.268 1.351 20 0 CDADMM O=C([O-])[C@@H](c1c(F)cccc1Cl)N1CC[C@H](CO)C1 ZINC001608560363 1164546274 /nfs/dbraw/zinc/54/62/74/1164546274.db2.gz ZQDCLNCROANHDF-QPUJVOFHSA-N -1 1 287.718 1.919 20 0 CDADMM O=C([O-])C1([C@]2(O)CCCN(Cc3cnns3)C2)CCC1 ZINC001608568026 1164549707 /nfs/dbraw/zinc/54/97/07/1164549707.db2.gz KBIWRSRNKBLADS-ZDUSSCGKSA-N -1 1 297.380 1.120 20 0 CDADMM O=C([O-])c1cc(F)ccc1CN1C[C@H]2C[C@@]2(CO)C1 ZINC001608850720 1164663108 /nfs/dbraw/zinc/66/31/08/1164663108.db2.gz HFIIZJVRJJTLQN-YGRLFVJLSA-N -1 1 265.284 1.338 20 0 CDADMM O=C([O-])c1cc2n(n1)CCC[C@H]2NCc1ccc[nH]c1=O ZINC001608867887 1164665310 /nfs/dbraw/zinc/66/53/10/1164665310.db2.gz RJAXAMWFGXAFCM-SNVBAGLBSA-N -1 1 288.307 1.307 20 0 CDADMM CC[C@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)[C@H](C)O ZINC001609194581 1164837464 /nfs/dbraw/zinc/83/74/64/1164837464.db2.gz HBWQKJSXODUZFA-ONGXEEELSA-N -1 1 298.350 1.986 20 0 CDADMM CC[C@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)[C@H](C)O ZINC001609194581 1164837469 /nfs/dbraw/zinc/83/74/69/1164837469.db2.gz HBWQKJSXODUZFA-ONGXEEELSA-N -1 1 298.350 1.986 20 0 CDADMM CC[C@H]1CCC[C@@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001609199622 1164839647 /nfs/dbraw/zinc/83/96/47/1164839647.db2.gz AVVWFDRLYAORLE-IUCAKERBSA-N -1 1 259.317 1.647 20 0 CDADMM CC[C@H]1CCC[C@@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001609199622 1164839651 /nfs/dbraw/zinc/83/96/51/1164839651.db2.gz AVVWFDRLYAORLE-IUCAKERBSA-N -1 1 259.317 1.647 20 0 CDADMM CC[C@@H]1CN(c2cccnc2-c2nnn[n-]2)C[C@@H](CC)O1 ZINC001609202198 1164842049 /nfs/dbraw/zinc/84/20/49/1164842049.db2.gz BUZOUZTYSAJKSY-GHMZBOCLSA-N -1 1 288.355 1.656 20 0 CDADMM CC[C@@H]1CN(c2cccnc2-c2nn[n-]n2)C[C@@H](CC)O1 ZINC001609202198 1164842061 /nfs/dbraw/zinc/84/20/61/1164842061.db2.gz BUZOUZTYSAJKSY-GHMZBOCLSA-N -1 1 288.355 1.656 20 0 CDADMM CCC[C@H]1CN(c2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001609207334 1164845768 /nfs/dbraw/zinc/84/57/68/1164845768.db2.gz CMZBUCLSBOKNCH-NSHDSACASA-N -1 1 274.328 1.267 20 0 CDADMM CCC[C@H]1CN(c2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC001609207334 1164845775 /nfs/dbraw/zinc/84/57/75/1164845775.db2.gz CMZBUCLSBOKNCH-NSHDSACASA-N -1 1 274.328 1.267 20 0 CDADMM CCc1nc(Cn2cc(-c3nn[n-]n3)ccc2=O)cs1 ZINC001609254895 1164866567 /nfs/dbraw/zinc/86/65/67/1164866567.db2.gz KGVKNGGYLQPSHL-UHFFFAOYSA-N -1 1 288.336 1.096 20 0 CDADMM CN(C[C@H]1CCCC[C@@H]1O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609274089 1164878244 /nfs/dbraw/zinc/87/82/44/1164878244.db2.gz SAMZOIZCYAAPIF-MFKMUULPSA-N -1 1 288.355 1.249 20 0 CDADMM CN(C[C@H]1CCCC[C@@H]1O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609274089 1164878250 /nfs/dbraw/zinc/87/82/50/1164878250.db2.gz SAMZOIZCYAAPIF-MFKMUULPSA-N -1 1 288.355 1.249 20 0 CDADMM COCCN(CC(C)C)c1ccc(C)c(-c2nnn[n-]2)n1 ZINC001609324003 1164902544 /nfs/dbraw/zinc/90/25/44/1164902544.db2.gz LODBKMHJLVTBKU-UHFFFAOYSA-N -1 1 290.371 1.679 20 0 CDADMM COCCN(CC(C)C)c1ccc(C)c(-c2nn[n-]n2)n1 ZINC001609324003 1164902550 /nfs/dbraw/zinc/90/25/50/1164902550.db2.gz LODBKMHJLVTBKU-UHFFFAOYSA-N -1 1 290.371 1.679 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(Oc2cccnc2F)n1 ZINC001609392846 1164924948 /nfs/dbraw/zinc/92/49/48/1164924948.db2.gz JOOZFBACPAOFML-UHFFFAOYSA-N -1 1 273.231 1.292 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(Oc2cccnc2F)n1 ZINC001609392846 1164924952 /nfs/dbraw/zinc/92/49/52/1164924952.db2.gz JOOZFBACPAOFML-UHFFFAOYSA-N -1 1 273.231 1.292 20 0 CDADMM Cc1nn(C)cc1[C@@H](C)Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001609408746 1164934640 /nfs/dbraw/zinc/93/46/40/1164934640.db2.gz JPINKVXDEFFESR-SECBINFHSA-N -1 1 298.354 1.207 20 0 CDADMM Cc1nn(C)cc1[C@@H](C)Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001609408746 1164934652 /nfs/dbraw/zinc/93/46/52/1164934652.db2.gz JPINKVXDEFFESR-SECBINFHSA-N -1 1 298.354 1.207 20 0 CDADMM Cc1ccc(OC(=O)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC001609427206 1164944357 /nfs/dbraw/zinc/94/43/57/1164944357.db2.gz SWCYEFSQQHUBJD-UHFFFAOYSA-N -1 1 281.275 1.789 20 0 CDADMM Cc1ccc(OC(=O)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC001609427206 1164944361 /nfs/dbraw/zinc/94/43/61/1164944361.db2.gz SWCYEFSQQHUBJD-UHFFFAOYSA-N -1 1 281.275 1.789 20 0 CDADMM Cc1ccnc(Cn2ccn3ncc(-c4nn[n-]n4)c23)c1 ZINC001609438490 1164946472 /nfs/dbraw/zinc/94/64/72/1164946472.db2.gz MSANMVDLRTZAHI-UHFFFAOYSA-N -1 1 280.295 1.068 20 0 CDADMM Fc1ccc2c(c1)CC[C@@H]2Nc1cc(-c2nnn[n-]2)ncn1 ZINC001609491563 1164975126 /nfs/dbraw/zinc/97/51/26/1164975126.db2.gz QGNGBCGMGXZVDO-NSHDSACASA-N -1 1 297.297 1.895 20 0 CDADMM Fc1ccc2c(c1)CC[C@@H]2Nc1cc(-c2nn[n-]n2)ncn1 ZINC001609491563 1164975134 /nfs/dbraw/zinc/97/51/34/1164975134.db2.gz QGNGBCGMGXZVDO-NSHDSACASA-N -1 1 297.297 1.895 20 0 CDADMM Nc1cccc(-c2noc(-c3ccc(-c4nnn[n-]4)o3)n2)c1 ZINC001609513053 1164980729 /nfs/dbraw/zinc/98/07/29/1164980729.db2.gz IFMYUBXYGRZGJH-UHFFFAOYSA-N -1 1 295.262 1.759 20 0 CDADMM Nc1cccc(-c2noc(-c3ccc(-c4nn[n-]n4)o3)n2)c1 ZINC001609513053 1164980732 /nfs/dbraw/zinc/98/07/32/1164980732.db2.gz IFMYUBXYGRZGJH-UHFFFAOYSA-N -1 1 295.262 1.759 20 0 CDADMM O=C(Nc1n[nH]c2ccccc21)c1ccc(-c2nn[n-]n2)o1 ZINC001609570115 1164992066 /nfs/dbraw/zinc/99/20/66/1164992066.db2.gz QIEQRWNFVLHPKK-UHFFFAOYSA-N -1 1 295.262 1.588 20 0 CDADMM c1cc(NCCCC2CCOCC2)cc(-c2nnn[n-]2)n1 ZINC001609614602 1165008253 /nfs/dbraw/zinc/00/82/53/1165008253.db2.gz CRAMEYJGFPCKLH-UHFFFAOYSA-N -1 1 288.355 1.880 20 0 CDADMM c1cc(NCCCC2CCOCC2)cc(-c2nn[n-]n2)n1 ZINC001609614602 1165008261 /nfs/dbraw/zinc/00/82/61/1165008261.db2.gz CRAMEYJGFPCKLH-UHFFFAOYSA-N -1 1 288.355 1.880 20 0 CDADMM c1ccc2c(c1)CC(CNc1ncncc1-c1nn[n-]n1)C2 ZINC001609617779 1165011959 /nfs/dbraw/zinc/01/19/59/1165011959.db2.gz DOWFXQDVQLYUQP-UHFFFAOYSA-N -1 1 293.334 1.484 20 0 CDADMM Cc1nnc(CN2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)o1 ZINC001610572124 1165360733 /nfs/dbraw/zinc/36/07/33/1165360733.db2.gz ZFOKQHPYUBBJGT-CHWSQXEVSA-N -1 1 287.319 1.678 20 0 CDADMM Cc1oc(CN2CC[C@@H](n3cccn3)C2)cc1C(=O)[O-] ZINC001610582942 1165365159 /nfs/dbraw/zinc/36/51/59/1165365159.db2.gz LURGBPHIUXQVDK-LLVKDONJSA-N -1 1 275.308 1.930 20 0 CDADMM O=C([O-])C[C@@H]1CCCN1C(=O)c1cc(F)cc2nn[nH]c21 ZINC001610760997 1165433049 /nfs/dbraw/zinc/43/30/49/1165433049.db2.gz KRHKUAFTHRSPJT-QMMMGPOBSA-N -1 1 292.270 1.176 20 0 CDADMM O=C([O-])[C@@H]1CN(CN2CC[C@H](C3CCCC3)C2)C(=O)O1 ZINC001610802350 1165446938 /nfs/dbraw/zinc/44/69/38/1165446938.db2.gz FLDYOHACRBBJOJ-RYUDHWBXSA-N -1 1 282.340 1.361 20 0 CDADMM O=C([O-])c1ccc(CN2CCC[C@H](n3ccnn3)C2)nc1 ZINC001610826979 1165455789 /nfs/dbraw/zinc/45/57/89/1165455789.db2.gz KBQJJGCKGAWUHX-ZDUSSCGKSA-N -1 1 287.323 1.208 20 0 CDADMM O=C([O-])c1cccc2c1CN([C@@H]1CCCNC1=O)CC2 ZINC001610850843 1165462125 /nfs/dbraw/zinc/46/21/25/1165462125.db2.gz UTRSDNIPDQMJFB-CYBMUJFWSA-N -1 1 274.320 1.022 20 0 CDADMM NC(=O)c1cncc(Oc2cc(Cl)nc(=O)[n-]2)c1 ZINC001612189283 1165510725 /nfs/dbraw/zinc/51/07/25/1165510725.db2.gz FIZHHIXNNFCERX-UHFFFAOYSA-N -1 1 266.644 1.122 20 0 CDADMM CC[C@@H](C)n1ncc(C(=O)OCc2nn[n-]n2)c1C1CC1 ZINC001649227463 1166156991 /nfs/dbraw/zinc/15/69/91/1166156991.db2.gz LKTBRMAKEMZWMY-MRVPVSSYSA-N -1 1 290.327 1.602 20 0 CDADMM O=C(CC1CC1)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000095175760 1166604946 /nfs/dbraw/zinc/60/49/46/1166604946.db2.gz YZYZPLXVFWRNKF-UHFFFAOYSA-N -1 1 273.296 1.517 20 0 CDADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1ccco1 ZINC000095235459 1166610365 /nfs/dbraw/zinc/61/03/65/1166610365.db2.gz SWUTYCSAAHSODU-UHFFFAOYSA-N -1 1 285.263 1.624 20 0 CDADMM CCC(CC)(NC(=O)[C@@H]1CCSC1)c1nn[n-]n1 ZINC000095261845 1166614671 /nfs/dbraw/zinc/61/46/71/1166614671.db2.gz PFDSCVORYXZDPF-MRVPVSSYSA-N -1 1 269.374 1.084 20 0 CDADMM C[C@@H]1C[C@H]1C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000095265572 1166616352 /nfs/dbraw/zinc/61/63/52/1166616352.db2.gz LZURQJBSVKMYFG-LDYMZIIASA-N -1 1 273.296 1.373 20 0 CDADMM O=C(c1cccc2cn[nH]c21)N1CCC(c2nn[n-]n2)CC1 ZINC001636174551 1166659929 /nfs/dbraw/zinc/65/99/29/1166659929.db2.gz IOLDTOONSCWFFY-UHFFFAOYSA-N -1 1 297.322 1.096 20 0 CDADMM O=C([N-]N1CN=NC1=O)c1cc2c(cncc2Cl)s1 ZINC001638518269 1166851985 /nfs/dbraw/zinc/85/19/85/1166851985.db2.gz PWWGGEWIIFUSTB-UHFFFAOYSA-N -1 1 295.711 1.631 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1ccn(-c2ccccc2F)n1 ZINC001641597902 1167122940 /nfs/dbraw/zinc/12/29/40/1167122940.db2.gz BHLOQXQMBJHJEG-UHFFFAOYSA-N -1 1 287.254 1.692 20 0 CDADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CC[C@](O)(C2CC2)C1 ZINC001649940923 1169521533 /nfs/dbraw/zinc/52/15/33/1169521533.db2.gz OHGMFYYCLDXQMA-OAHLLOKOSA-N -1 1 295.766 1.962 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCC[C@@H]32)n1 ZINC001574697259 1170997848 /nfs/dbraw/zinc/99/78/48/1170997848.db2.gz ZSPDFEJGHMRYAE-DCAQKATOSA-N -1 1 277.324 1.318 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCC[C@@H]32)n1 ZINC001574697259 1170997853 /nfs/dbraw/zinc/99/78/53/1170997853.db2.gz ZSPDFEJGHMRYAE-DCAQKATOSA-N -1 1 277.324 1.318 20 0 CDADMM O=S(=O)([N-]Cc1cccc2c1OCCO2)C(F)F ZINC000076385964 1172206009 /nfs/dbraw/zinc/20/60/09/1172206009.db2.gz LHMGYXJYTVQBRQ-UHFFFAOYSA-N -1 1 279.264 1.100 20 0 CDADMM Cc1ccc(C(=O)N(C)c2nn[n-]n2)c(F)c1Cl ZINC001587339745 1172981449 /nfs/dbraw/zinc/98/14/49/1172981449.db2.gz PIFFCZWIUJUVAX-UHFFFAOYSA-N -1 1 269.667 1.577 20 0 CDADMM CC(=O)C(C)(C)COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001588782288 1173105591 /nfs/dbraw/zinc/10/55/91/1173105591.db2.gz RPBZFIGTUMPPBM-UHFFFAOYSA-N -1 1 278.268 1.232 20 0 CDADMM CC(C)(C)CC[C@@H](CO)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001589118678 1173124832 /nfs/dbraw/zinc/12/48/32/1173124832.db2.gz GEQYJGDJSIQRLB-VIFPVBQESA-N -1 1 291.359 1.256 20 0 CDADMM CC(C)(C)CC[C@@H](CO)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001589118678 1173124835 /nfs/dbraw/zinc/12/48/35/1173124835.db2.gz GEQYJGDJSIQRLB-VIFPVBQESA-N -1 1 291.359 1.256 20 0 CDADMM CC(C)(CNc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001589293319 1173133455 /nfs/dbraw/zinc/13/34/55/1173133455.db2.gz UMLHXJNBWHVUKT-UHFFFAOYSA-N -1 1 258.329 1.532 20 0 CDADMM CC(C)(CNc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001589293319 1173133458 /nfs/dbraw/zinc/13/34/58/1173133458.db2.gz UMLHXJNBWHVUKT-UHFFFAOYSA-N -1 1 258.329 1.532 20 0 CDADMM CC(C)[C@@H]1C[C@@H]1C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001589501017 1173150486 /nfs/dbraw/zinc/15/04/86/1173150486.db2.gz AJZAGJHPTUZMOM-QWRGUYRKSA-N -1 1 287.323 1.597 20 0 CDADMM CC(C)[C@@H]1C[C@@H]1C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001589501017 1173150491 /nfs/dbraw/zinc/15/04/91/1173150491.db2.gz AJZAGJHPTUZMOM-QWRGUYRKSA-N -1 1 287.323 1.597 20 0 CDADMM CC(C)[C@@H]1C[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001589501776 1173151849 /nfs/dbraw/zinc/15/18/49/1173151849.db2.gz KAZJHHOLBCRVTB-VHSXEESVSA-N -1 1 291.380 1.837 20 0 CDADMM CC(C)C1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001589516400 1173152573 /nfs/dbraw/zinc/15/25/73/1173152573.db2.gz ARYYFOYMVLOCLE-UHFFFAOYSA-N -1 1 261.285 1.188 20 0 CDADMM CC(C)C1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001589516400 1173152577 /nfs/dbraw/zinc/15/25/77/1173152577.db2.gz ARYYFOYMVLOCLE-UHFFFAOYSA-N -1 1 261.285 1.188 20 0 CDADMM CC(C)O[C@@H]1CCCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001589739224 1173171630 /nfs/dbraw/zinc/17/16/30/1173171630.db2.gz HAIGRVXCLSPASS-SNVBAGLBSA-N -1 1 289.343 1.051 20 0 CDADMM CC(C)[C@@H]1C[C@H]1CNc1ncncc1-c1nn[n-]n1 ZINC001589763373 1173176310 /nfs/dbraw/zinc/17/63/10/1173176310.db2.gz HBIDOPYYUQEODA-IUCAKERBSA-N -1 1 259.317 1.361 20 0 CDADMM CC1(CNc2ncncc2-c2nn[n-]n2)CC(F)(F)C1 ZINC001590136079 1173270314 /nfs/dbraw/zinc/27/03/14/1173270314.db2.gz QLDAJKIGSLXUTC-UHFFFAOYSA-N -1 1 281.270 1.504 20 0 CDADMM C[C@@H]1C[C@H](C)CN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590189633 1173284938 /nfs/dbraw/zinc/28/49/38/1173284938.db2.gz IOCFVISSVMEUGP-DTWKUNHWSA-N -1 1 272.312 1.132 20 0 CDADMM C[C@@H]1C[C@H](C)CN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590189633 1173284942 /nfs/dbraw/zinc/28/49/42/1173284942.db2.gz IOCFVISSVMEUGP-DTWKUNHWSA-N -1 1 272.312 1.132 20 0 CDADMM C[C@@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@@H]1C ZINC001590238956 1173311219 /nfs/dbraw/zinc/31/12/19/1173311219.db2.gz XHHMPFJQUOJMFV-UTLUCORTSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@@H]1C ZINC001590238956 1173311225 /nfs/dbraw/zinc/31/12/25/1173311225.db2.gz XHHMPFJQUOJMFV-UTLUCORTSA-N -1 1 273.344 1.893 20 0 CDADMM C/C=C\C[C@H](CO)Nc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001590353120 1173370473 /nfs/dbraw/zinc/37/04/73/1173370473.db2.gz OCTXSVGXCNODBM-UMBAGQNISA-N -1 1 274.328 1.309 20 0 CDADMM C/C=C\C[C@H](CO)Nc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001590353120 1173370478 /nfs/dbraw/zinc/37/04/78/1173370478.db2.gz OCTXSVGXCNODBM-UMBAGQNISA-N -1 1 274.328 1.309 20 0 CDADMM CC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001590472199 1173425752 /nfs/dbraw/zinc/42/57/52/1173425752.db2.gz BTKSFPHATZANMT-SNVBAGLBSA-N -1 1 282.311 1.615 20 0 CDADMM CC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001590472199 1173425760 /nfs/dbraw/zinc/42/57/60/1173425760.db2.gz BTKSFPHATZANMT-SNVBAGLBSA-N -1 1 282.311 1.615 20 0 CDADMM CCC1(CC)CCCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001590490871 1173433881 /nfs/dbraw/zinc/43/38/81/1173433881.db2.gz JPMPQEKHGNLHDC-UHFFFAOYSA-N -1 1 273.344 1.816 20 0 CDADMM CCC1(CC)CCCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001590490871 1173433887 /nfs/dbraw/zinc/43/38/87/1173433887.db2.gz JPMPQEKHGNLHDC-UHFFFAOYSA-N -1 1 273.344 1.816 20 0 CDADMM CCC[C@@H](OCC)C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001590563451 1173463129 /nfs/dbraw/zinc/46/31/29/1173463129.db2.gz LMOIQWQENUCQPX-MRVPVSSYSA-N -1 1 293.331 1.042 20 0 CDADMM CCC[C@@H]1CCCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590571436 1173465957 /nfs/dbraw/zinc/46/59/57/1173465957.db2.gz CKJPSSRDSPIZHC-SNVBAGLBSA-N -1 1 286.339 1.666 20 0 CDADMM CCC[C@@H]1CCCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590571436 1173465959 /nfs/dbraw/zinc/46/59/59/1173465959.db2.gz CKJPSSRDSPIZHC-SNVBAGLBSA-N -1 1 286.339 1.666 20 0 CDADMM CCCCOCCCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590608405 1173474407 /nfs/dbraw/zinc/47/44/07/1173474407.db2.gz KWKOKTQTHQXEGM-UHFFFAOYSA-N -1 1 291.359 1.584 20 0 CDADMM CCCCOCCCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590608405 1173474410 /nfs/dbraw/zinc/47/44/10/1173474410.db2.gz KWKOKTQTHQXEGM-UHFFFAOYSA-N -1 1 291.359 1.584 20 0 CDADMM CCN(C[C@H]1CCCO1)c1cc(C)nc(-c2nnn[n-]2)c1 ZINC001590691039 1173493451 /nfs/dbraw/zinc/49/34/51/1173493451.db2.gz DKVLOERQMBVLCI-GFCCVEGCSA-N -1 1 288.355 1.575 20 0 CDADMM CCN(C[C@H]1CCCO1)c1cc(C)nc(-c2nn[n-]n2)c1 ZINC001590691039 1173493455 /nfs/dbraw/zinc/49/34/55/1173493455.db2.gz DKVLOERQMBVLCI-GFCCVEGCSA-N -1 1 288.355 1.575 20 0 CDADMM CCN(c1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001590725035 1173502424 /nfs/dbraw/zinc/50/24/24/1173502424.db2.gz BRMNMMBOVXZTMJ-UHFFFAOYSA-N -1 1 259.317 1.426 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H](C)[C@H](C)[C@@H]2C)n1 ZINC001590904880 1173538409 /nfs/dbraw/zinc/53/84/09/1173538409.db2.gz MPIWUNNTOSQFQY-GUBZILKMSA-N -1 1 287.371 1.700 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H](C)[C@H](C)[C@@H]2C)n1 ZINC001590904880 1173538414 /nfs/dbraw/zinc/53/84/14/1173538414.db2.gz MPIWUNNTOSQFQY-GUBZILKMSA-N -1 1 287.371 1.700 20 0 CDADMM CCc1nc(N[C@@H](CC)C(F)F)cc(-c2nnn[n-]2)n1 ZINC001590917238 1173541130 /nfs/dbraw/zinc/54/11/30/1173541130.db2.gz PCRCQIDDXWWMIY-LURJTMIESA-N -1 1 283.286 1.675 20 0 CDADMM CCc1nc(N[C@@H](CC)C(F)F)cc(-c2nn[n-]n2)n1 ZINC001590917238 1173541139 /nfs/dbraw/zinc/54/11/39/1173541139.db2.gz PCRCQIDDXWWMIY-LURJTMIESA-N -1 1 283.286 1.675 20 0 CDADMM CCc1nc(NCc2cc(C)ccn2)cc(-c2nnn[n-]2)n1 ZINC001590922947 1173544031 /nfs/dbraw/zinc/54/40/31/1173544031.db2.gz BBPANWGUTXHKQZ-UHFFFAOYSA-N -1 1 296.338 1.535 20 0 CDADMM CCc1nc(NCc2cc(C)ccn2)cc(-c2nn[n-]n2)n1 ZINC001590922947 1173544038 /nfs/dbraw/zinc/54/40/38/1173544038.db2.gz BBPANWGUTXHKQZ-UHFFFAOYSA-N -1 1 296.338 1.535 20 0 CDADMM CN(CCC1CC1)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591064407 1173567127 /nfs/dbraw/zinc/56/71/27/1173567127.db2.gz KRLGCJGBSZZNHH-UHFFFAOYSA-N -1 1 277.353 1.800 20 0 CDADMM CO[C@@H](CNc1ccc(C)nc1-c1nnn[n-]1)C1CC1 ZINC001591328335 1173613171 /nfs/dbraw/zinc/61/31/71/1173613171.db2.gz AUZWLMJMZYAYBE-NSHDSACASA-N -1 1 274.328 1.407 20 0 CDADMM CO[C@@H](CNc1ccc(C)nc1-c1nn[n-]n1)C1CC1 ZINC001591328335 1173613173 /nfs/dbraw/zinc/61/31/73/1173613173.db2.gz AUZWLMJMZYAYBE-NSHDSACASA-N -1 1 274.328 1.407 20 0 CDADMM COC1CC(SCc2ccc(-c3nnn[n-]3)o2)C1 ZINC001591349447 1173616751 /nfs/dbraw/zinc/61/67/51/1173616751.db2.gz IAJYPQJUTWBFRV-UHFFFAOYSA-N -1 1 266.326 1.870 20 0 CDADMM COC1CC(SCc2ccc(-c3nn[n-]n3)o2)C1 ZINC001591349447 1173616757 /nfs/dbraw/zinc/61/67/57/1173616757.db2.gz IAJYPQJUTWBFRV-UHFFFAOYSA-N -1 1 266.326 1.870 20 0 CDADMM CO[C@H]1CCC[C@H]1CNc1ccc(C)nc1-c1nnn[n-]1 ZINC001591359929 1173627191 /nfs/dbraw/zinc/62/71/91/1173627191.db2.gz GHYNFXSNDAPENX-JQWIXIFHSA-N -1 1 288.355 1.797 20 0 CDADMM CO[C@H]1CCC[C@H]1CNc1ccc(C)nc1-c1nn[n-]n1 ZINC001591359929 1173627199 /nfs/dbraw/zinc/62/71/99/1173627199.db2.gz GHYNFXSNDAPENX-JQWIXIFHSA-N -1 1 288.355 1.797 20 0 CDADMM COCc1ccc(CNc2ncncc2-c2nn[n-]n2)cc1 ZINC001591456477 1173654673 /nfs/dbraw/zinc/65/46/73/1173654673.db2.gz NNVGCAWFLMDBOJ-UHFFFAOYSA-N -1 1 297.322 1.415 20 0 CDADMM COc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)o2)cc1 ZINC001591595439 1173670761 /nfs/dbraw/zinc/67/07/61/1173670761.db2.gz IZXIIOSNDOKATC-UHFFFAOYSA-N -1 1 299.290 1.398 20 0 CDADMM COc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001591595439 1173670766 /nfs/dbraw/zinc/67/07/66/1173670766.db2.gz IZXIIOSNDOKATC-UHFFFAOYSA-N -1 1 299.290 1.398 20 0 CDADMM COc1ccc2c(c1)CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001591626920 1173676293 /nfs/dbraw/zinc/67/62/93/1173676293.db2.gz HSLFVYJNACHSOP-UHFFFAOYSA-N -1 1 295.306 1.186 20 0 CDADMM COc1ccc2c(c1)CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001591626920 1173676299 /nfs/dbraw/zinc/67/62/99/1173676299.db2.gz HSLFVYJNACHSOP-UHFFFAOYSA-N -1 1 295.306 1.186 20 0 CDADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CCCc2ccccc2)c1 ZINC001591837011 1173711751 /nfs/dbraw/zinc/71/17/51/1173711751.db2.gz SQVPOZKVOZJSOV-UHFFFAOYSA-N -1 1 295.346 1.970 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C2CC2)C2CCC2)n1 ZINC001591890888 1173742590 /nfs/dbraw/zinc/74/25/90/1173742590.db2.gz KKPMTCOQIVGQMC-GFCCVEGCSA-N -1 1 285.355 1.956 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C2CC2)C2CCC2)n1 ZINC001591890888 1173742594 /nfs/dbraw/zinc/74/25/94/1173742594.db2.gz KKPMTCOQIVGQMC-GFCCVEGCSA-N -1 1 285.355 1.956 20 0 CDADMM Cc1cc(N2C[C@H](C)[C@](C)(CO)C2)cc(-c2nnn[n-]2)n1 ZINC001591999524 1173770271 /nfs/dbraw/zinc/77/02/71/1173770271.db2.gz PFOBOUQQDOIFHH-XPTSAGLGSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(N2C[C@H](C)[C@](C)(CO)C2)cc(-c2nn[n-]n2)n1 ZINC001591999524 1173770274 /nfs/dbraw/zinc/77/02/74/1173770274.db2.gz PFOBOUQQDOIFHH-XPTSAGLGSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(N2CC[C@H]3COC[C@@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001592005093 1173771293 /nfs/dbraw/zinc/77/12/93/1173771293.db2.gz RLPVUYWXIVOFQU-QWRGUYRKSA-N -1 1 286.339 1.043 20 0 CDADMM Cc1cc(N2CC[C@H]3COC[C@@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001592005093 1173771296 /nfs/dbraw/zinc/77/12/96/1173771296.db2.gz RLPVUYWXIVOFQU-QWRGUYRKSA-N -1 1 286.339 1.043 20 0 CDADMM Cc1cc(N2CCC[C@H](CO)[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592005041 1173772148 /nfs/dbraw/zinc/77/21/48/1173772148.db2.gz GPZZYGPPECIWGD-WDEREUQCSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(N2CCC[C@H](CO)[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592005041 1173772150 /nfs/dbraw/zinc/77/21/50/1173772150.db2.gz GPZZYGPPECIWGD-WDEREUQCSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)nc(-c2nnn[n-]2)c1 ZINC001592036038 1173778750 /nfs/dbraw/zinc/77/87/50/1173778750.db2.gz IIYWZZZBAOWTRN-JGPRNRPPSA-N -1 1 288.355 1.938 20 0 CDADMM Cc1cc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)nc(-c2nn[n-]n2)c1 ZINC001592036038 1173778753 /nfs/dbraw/zinc/77/87/53/1173778753.db2.gz IIYWZZZBAOWTRN-JGPRNRPPSA-N -1 1 288.355 1.938 20 0 CDADMM Cc1cc(N[C@@H]2COC[C@H]2C)nc(-c2nnn[n-]2)c1 ZINC001592040325 1173782465 /nfs/dbraw/zinc/78/24/65/1173782465.db2.gz WCVAGGPRAXJERJ-PSASIEDQSA-N -1 1 260.301 1.017 20 0 CDADMM Cc1cc(N[C@@H]2COC[C@H]2C)nc(-c2nn[n-]n2)c1 ZINC001592040325 1173782469 /nfs/dbraw/zinc/78/24/69/1173782469.db2.gz WCVAGGPRAXJERJ-PSASIEDQSA-N -1 1 260.301 1.017 20 0 CDADMM Cc1ccc(C(=O)Cn2cccc(-c3nn[n-]n3)c2=O)cc1 ZINC001592115438 1173804311 /nfs/dbraw/zinc/80/43/11/1173804311.db2.gz IBVMEZGDMLLYPA-UHFFFAOYSA-N -1 1 295.302 1.220 20 0 CDADMM Cc1ccc(CC[C@@H](C)Nc2ncncc2-c2nn[n-]n2)o1 ZINC001592150827 1173811385 /nfs/dbraw/zinc/81/13/85/1173811385.db2.gz XEDTUKBKOQNOFL-SECBINFHSA-N -1 1 299.338 1.991 20 0 CDADMM Cc1ccc(Cn2cnc(-c3nn[n-]n3)cc2=O)cc1C ZINC001592172128 1173821338 /nfs/dbraw/zinc/82/13/38/1173821338.db2.gz XKDPVHBHNPUTNP-UHFFFAOYSA-N -1 1 282.307 1.089 20 0 CDADMM Cc1ccc(NCC(C)(F)F)c(-c2nnn[n-]2)n1 ZINC001592182896 1173825400 /nfs/dbraw/zinc/82/54/00/1173825400.db2.gz DEBUEKKSZLAIAO-UHFFFAOYSA-N -1 1 254.244 1.637 20 0 CDADMM Cc1ccc(NCC(C)(F)F)c(-c2nn[n-]n2)n1 ZINC001592182896 1173825405 /nfs/dbraw/zinc/82/54/05/1173825405.db2.gz DEBUEKKSZLAIAO-UHFFFAOYSA-N -1 1 254.244 1.637 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)nc1-c1nnn[n-]1 ZINC001592183181 1173826493 /nfs/dbraw/zinc/82/64/93/1173826493.db2.gz AGJPDESIZFAYSK-JGPRNRPPSA-N -1 1 288.355 1.938 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)nc1-c1nn[n-]n1 ZINC001592183181 1173826495 /nfs/dbraw/zinc/82/64/95/1173826495.db2.gz AGJPDESIZFAYSK-JGPRNRPPSA-N -1 1 288.355 1.938 20 0 CDADMM Cc1ccc(N[C@H]2CCO[C@H](C)C2)nc1-c1nnn[n-]1 ZINC001592183463 1173827637 /nfs/dbraw/zinc/82/76/37/1173827637.db2.gz FBOXMPZVXFHTPX-ZJUUUORDSA-N -1 1 274.328 1.550 20 0 CDADMM Cc1ccc(N[C@H]2CCO[C@H](C)C2)nc1-c1nn[n-]n1 ZINC001592183463 1173827640 /nfs/dbraw/zinc/82/76/40/1173827640.db2.gz FBOXMPZVXFHTPX-ZJUUUORDSA-N -1 1 274.328 1.550 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@@H](O)C23CCC3)nc1-c1nnn[n-]1 ZINC001592183983 1173827958 /nfs/dbraw/zinc/82/79/58/1173827958.db2.gz NSAAOYZADQFSGG-NXEZZACHSA-N -1 1 286.339 1.286 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@@H](O)C23CCC3)nc1-c1nn[n-]n1 ZINC001592183983 1173827959 /nfs/dbraw/zinc/82/79/59/1173827959.db2.gz NSAAOYZADQFSGG-NXEZZACHSA-N -1 1 286.339 1.286 20 0 CDADMM Cc1ccc(NCCCCCCO)c(-c2nnn[n-]2)n1 ZINC001592186456 1173831847 /nfs/dbraw/zinc/83/18/47/1173831847.db2.gz WHTJWIPUWDGGQW-UHFFFAOYSA-N -1 1 276.344 1.535 20 0 CDADMM Cc1ccc(NCCCCCCO)c(-c2nn[n-]n2)n1 ZINC001592186456 1173831855 /nfs/dbraw/zinc/83/18/55/1173831855.db2.gz WHTJWIPUWDGGQW-UHFFFAOYSA-N -1 1 276.344 1.535 20 0 CDADMM Cc1cccnc1Cn1ccc(C)c(-c2nn[n-]n2)c1=O ZINC001592264111 1173837430 /nfs/dbraw/zinc/83/74/30/1173837430.db2.gz NTFAPVAUSPJIQV-UHFFFAOYSA-N -1 1 282.307 1.089 20 0 CDADMM Cc1cnc(CCNc2ccc(C)c(-c3nnn[n-]3)n2)cn1 ZINC001592292805 1173848674 /nfs/dbraw/zinc/84/86/74/1173848674.db2.gz QFPAAILIJPRIDR-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1cnc(CCNc2ccc(C)c(-c3nn[n-]n3)n2)cn1 ZINC001592292805 1173848678 /nfs/dbraw/zinc/84/86/78/1173848678.db2.gz QFPAAILIJPRIDR-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1cnc(CNc2cc(-c3nnn[n-]3)nc(C)n2)c(C)c1 ZINC001592294121 1173848810 /nfs/dbraw/zinc/84/88/10/1173848810.db2.gz TWMSPBKNGWLWOO-UHFFFAOYSA-N -1 1 296.338 1.589 20 0 CDADMM Cc1cnc(CNc2cc(-c3nn[n-]n3)nc(C)n2)c(C)c1 ZINC001592294121 1173848815 /nfs/dbraw/zinc/84/88/15/1173848815.db2.gz TWMSPBKNGWLWOO-UHFFFAOYSA-N -1 1 296.338 1.589 20 0 CDADMM Cc1nc(N[C@H]2CC[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001592382984 1173876655 /nfs/dbraw/zinc/87/66/55/1173876655.db2.gz XMLWIAGXEMGIOT-APPZFPTMSA-N -1 1 259.317 1.566 20 0 CDADMM Cc1nc(N[C@H]2CC[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001592382984 1173876660 /nfs/dbraw/zinc/87/66/60/1173876660.db2.gz XMLWIAGXEMGIOT-APPZFPTMSA-N -1 1 259.317 1.566 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@H](C)C(C)C)c1-c1nnn[n-]1 ZINC001592442606 1173890105 /nfs/dbraw/zinc/89/01/05/1173890105.db2.gz MFIZOSNQXIRBKI-SSDOTTSWSA-N -1 1 277.332 1.139 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@H](C)C(C)C)c1-c1nn[n-]n1 ZINC001592442606 1173890114 /nfs/dbraw/zinc/89/01/14/1173890114.db2.gz MFIZOSNQXIRBKI-SSDOTTSWSA-N -1 1 277.332 1.139 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)c1ccon1 ZINC001592496099 1173905693 /nfs/dbraw/zinc/90/56/93/1173905693.db2.gz WBBKSBZBKAZMLE-UHFFFAOYSA-N -1 1 274.240 1.033 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)c1ccon1 ZINC001592496099 1173905697 /nfs/dbraw/zinc/90/56/97/1173905697.db2.gz WBBKSBZBKAZMLE-UHFFFAOYSA-N -1 1 274.240 1.033 20 0 CDADMM Clc1sc(N2CCCCCO2)nc1-c1nn[n-]n1 ZINC001592541706 1173915864 /nfs/dbraw/zinc/91/58/64/1173915864.db2.gz LAQNUTNNUANHQW-UHFFFAOYSA-N -1 1 286.748 1.899 20 0 CDADMM Cn1nc(CNc2cccnc2-c2nnn[n-]2)cc1C1CC1 ZINC001592594947 1173924850 /nfs/dbraw/zinc/92/48/50/1173924850.db2.gz BWLLOONOCYNIQK-UHFFFAOYSA-N -1 1 296.338 1.485 20 0 CDADMM Cn1nc(CNc2cccnc2-c2nn[n-]n2)cc1C1CC1 ZINC001592594947 1173924853 /nfs/dbraw/zinc/92/48/53/1173924853.db2.gz BWLLOONOCYNIQK-UHFFFAOYSA-N -1 1 296.338 1.485 20 0 CDADMM F[C@@]1(c2ccccc2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001592631077 1173941459 /nfs/dbraw/zinc/94/14/59/1173941459.db2.gz PTJBQVLYWNBHPX-BXUZGUMPSA-N -1 1 297.297 1.706 20 0 CDADMM F[C@@]1(c2ccccc2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001592631077 1173941462 /nfs/dbraw/zinc/94/14/62/1173941462.db2.gz PTJBQVLYWNBHPX-BXUZGUMPSA-N -1 1 297.297 1.706 20 0 CDADMM FCC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001592632166 1173942337 /nfs/dbraw/zinc/94/23/37/1173942337.db2.gz REXBMHRCUDQAKJ-SECBINFHSA-N -1 1 277.307 1.233 20 0 CDADMM FCC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001592632166 1173942341 /nfs/dbraw/zinc/94/23/41/1173942341.db2.gz REXBMHRCUDQAKJ-SECBINFHSA-N -1 1 277.307 1.233 20 0 CDADMM FC1CCN(Cc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001592632281 1173942926 /nfs/dbraw/zinc/94/29/26/1173942926.db2.gz UTBCQYCFURCOOZ-UHFFFAOYSA-N -1 1 268.321 1.257 20 0 CDADMM FC1CCN(Cc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001592632281 1173942933 /nfs/dbraw/zinc/94/29/33/1173942933.db2.gz UTBCQYCFURCOOZ-UHFFFAOYSA-N -1 1 268.321 1.257 20 0 CDADMM FC[C@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC001592632656 1173945756 /nfs/dbraw/zinc/94/57/56/1173945756.db2.gz ZLFGXZUKXHOISM-SECBINFHSA-N -1 1 299.313 1.606 20 0 CDADMM FC[C@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001592632656 1173945762 /nfs/dbraw/zinc/94/57/62/1173945762.db2.gz ZLFGXZUKXHOISM-SECBINFHSA-N -1 1 299.313 1.606 20 0 CDADMM Fc1cc(F)cc(Cn2ccnc2-c2nnn[n-]2)c1 ZINC001592642365 1173950358 /nfs/dbraw/zinc/95/03/58/1173950358.db2.gz PJQZWFJIZZZNCT-UHFFFAOYSA-N -1 1 262.223 1.390 20 0 CDADMM Fc1cc(F)cc(Cn2ccnc2-c2nn[n-]n2)c1 ZINC001592642365 1173950359 /nfs/dbraw/zinc/95/03/59/1173950359.db2.gz PJQZWFJIZZZNCT-UHFFFAOYSA-N -1 1 262.223 1.390 20 0 CDADMM Fc1ccc(CNc2cccnc2-c2nnn[n-]2)nc1 ZINC001592651448 1173953248 /nfs/dbraw/zinc/95/32/48/1173953248.db2.gz MWIXOCMERZPNOE-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM Fc1ccc(CNc2cccnc2-c2nn[n-]n2)nc1 ZINC001592651448 1173953252 /nfs/dbraw/zinc/95/32/52/1173953252.db2.gz MWIXOCMERZPNOE-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM O=C(NC1CC=CC1)c1csc(-c2nn[n-]n2)c1 ZINC001592973180 1174010837 /nfs/dbraw/zinc/01/08/37/1174010837.db2.gz RPEDTFDFYAMONJ-UHFFFAOYSA-N -1 1 261.310 1.377 20 0 CDADMM O=C(NC[C@@H]1CCC(F)(F)C1)c1coc(-c2nnn[n-]2)c1 ZINC001593029014 1174016131 /nfs/dbraw/zinc/01/61/31/1174016131.db2.gz IJQOMTIABJOQNY-SSDOTTSWSA-N -1 1 297.265 1.625 20 0 CDADMM O=C(NC[C@@H]1CCC(F)(F)C1)c1coc(-c2nn[n-]n2)c1 ZINC001593029014 1174016136 /nfs/dbraw/zinc/01/61/36/1174016136.db2.gz IJQOMTIABJOQNY-SSDOTTSWSA-N -1 1 297.265 1.625 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1ccoc1Cl ZINC001593245046 1174041110 /nfs/dbraw/zinc/04/11/10/1174041110.db2.gz FBZXLLJCXKBEAN-UHFFFAOYSA-N -1 1 290.670 1.760 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1ccoc1Cl ZINC001593245046 1174041114 /nfs/dbraw/zinc/04/11/14/1174041114.db2.gz FBZXLLJCXKBEAN-UHFFFAOYSA-N -1 1 290.670 1.760 20 0 CDADMM O=C([O-])C[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001593275419 1174046036 /nfs/dbraw/zinc/04/60/36/1174046036.db2.gz BOJHJKYEFBRIRP-SECBINFHSA-N -1 1 291.311 1.146 20 0 CDADMM O=C([O-])C[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001593275419 1174046059 /nfs/dbraw/zinc/04/60/59/1174046059.db2.gz BOJHJKYEFBRIRP-SECBINFHSA-N -1 1 291.311 1.146 20 0 CDADMM O=C([O-])C[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001593275419 1174046064 /nfs/dbraw/zinc/04/60/64/1174046064.db2.gz BOJHJKYEFBRIRP-SECBINFHSA-N -1 1 291.311 1.146 20 0 CDADMM O=C([O-])CC1CC([NH2+]Cc2csc(-c3nn[n-]n3)c2)C1 ZINC001593276140 1174047258 /nfs/dbraw/zinc/04/72/58/1174047258.db2.gz HCOADXZAMIRKCZ-UHFFFAOYSA-N -1 1 293.352 1.271 20 0 CDADMM O=C(OC1CCCCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593281673 1174048276 /nfs/dbraw/zinc/04/82/76/1174048276.db2.gz SDDXUVQNAHSFCL-UHFFFAOYSA-N -1 1 273.296 1.751 20 0 CDADMM O=C(OC1CCCCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593281673 1174048283 /nfs/dbraw/zinc/04/82/83/1174048283.db2.gz SDDXUVQNAHSFCL-UHFFFAOYSA-N -1 1 273.296 1.751 20 0 CDADMM O=C(O[C@H]1CCSC1)c1coc(-c2nnn[n-]2)c1 ZINC001593307417 1174063480 /nfs/dbraw/zinc/06/34/80/1174063480.db2.gz KXNGMFKHJRUXEC-ZETCQYMHSA-N -1 1 266.282 1.122 20 0 CDADMM O=C(O[C@H]1CCSC1)c1coc(-c2nn[n-]n2)c1 ZINC001593307417 1174063490 /nfs/dbraw/zinc/06/34/90/1174063490.db2.gz KXNGMFKHJRUXEC-ZETCQYMHSA-N -1 1 266.282 1.122 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCCc2ncccc21 ZINC001593368958 1174070689 /nfs/dbraw/zinc/07/06/89/1174070689.db2.gz DAVBUMUQCPZCSN-UHFFFAOYSA-N -1 1 296.290 1.448 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCCc2ncccc21 ZINC001593368958 1174070693 /nfs/dbraw/zinc/07/06/93/1174070693.db2.gz DAVBUMUQCPZCSN-UHFFFAOYSA-N -1 1 296.290 1.448 20 0 CDADMM O=Cc1ccc(Oc2nccnc2-c2nn[n-]n2)cc1F ZINC001593416532 1174076072 /nfs/dbraw/zinc/07/60/72/1174076072.db2.gz YAHYUJOYEAZJKM-UHFFFAOYSA-N -1 1 286.226 1.401 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1C[C@@H]1CCC2(CCC2)O1 ZINC001593492075 1174087774 /nfs/dbraw/zinc/08/77/74/1174087774.db2.gz AQLXYFDCUJFKQG-JTQLQIEISA-N -1 1 287.323 1.130 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1C[C@H]1CCCCC1(F)F ZINC001593492393 1174088263 /nfs/dbraw/zinc/08/82/63/1174088263.db2.gz IZCJUJBKZABDRJ-SECBINFHSA-N -1 1 295.293 1.854 20 0 CDADMM O[C@H](CCNc1cc(-c2nnn[n-]2)ncn1)c1ccccc1 ZINC001593500881 1174090640 /nfs/dbraw/zinc/09/06/40/1174090640.db2.gz JBTDGKOZPOTPPW-GFCCVEGCSA-N -1 1 297.322 1.192 20 0 CDADMM O[C@H](CCNc1cc(-c2nn[n-]n2)ncn1)c1ccccc1 ZINC001593500881 1174090647 /nfs/dbraw/zinc/09/06/47/1174090647.db2.gz JBTDGKOZPOTPPW-GFCCVEGCSA-N -1 1 297.322 1.192 20 0 CDADMM OC1CC2(C[C@@H]2Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001593517687 1174096069 /nfs/dbraw/zinc/09/60/69/1174096069.db2.gz MNKODJZZEBGPRG-BWQYWHONSA-N -1 1 298.759 1.302 20 0 CDADMM OC1CC2(C[C@@H]2Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001593517687 1174096078 /nfs/dbraw/zinc/09/60/78/1174096078.db2.gz MNKODJZZEBGPRG-BWQYWHONSA-N -1 1 298.759 1.302 20 0 CDADMM c1cc([C@@H]2CCCCN2c2cccc(-c3nnn[n-]3)n2)n[nH]1 ZINC001593550225 1174120728 /nfs/dbraw/zinc/12/07/28/1174120728.db2.gz OWCJGTUNQTWPDT-LBPRGKRZSA-N -1 1 296.338 1.716 20 0 CDADMM c1cc([C@@H]2CCCCN2c2cccc(-c3nn[n-]n3)n2)n[nH]1 ZINC001593550225 1174120730 /nfs/dbraw/zinc/12/07/30/1174120730.db2.gz OWCJGTUNQTWPDT-LBPRGKRZSA-N -1 1 296.338 1.716 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CC[C@H]2[C@H]2CCCOC2)c1 ZINC001593549999 1174122472 /nfs/dbraw/zinc/12/24/72/1174122472.db2.gz KJRFKTLLMHZCER-JQWIXIFHSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CC[C@H]2[C@H]2CCCOC2)c1 ZINC001593549999 1174122476 /nfs/dbraw/zinc/12/24/76/1174122476.db2.gz KJRFKTLLMHZCER-JQWIXIFHSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1N[C@@H]1CCO[C@H](C2CC2)C1 ZINC001593550846 1174123428 /nfs/dbraw/zinc/12/34/28/1174123428.db2.gz CNTOOMDBJNEEPX-KOLCDFICSA-N -1 1 287.327 1.026 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1N[C@@H]1CCO[C@H](C2CC2)C1 ZINC001593550846 1174123431 /nfs/dbraw/zinc/12/34/31/1174123431.db2.gz CNTOOMDBJNEEPX-KOLCDFICSA-N -1 1 287.327 1.026 20 0 CDADMM c1[nH]nc(NCc2cccc3c2CCOC3)c1-c1nnn[n-]1 ZINC001593553454 1174127576 /nfs/dbraw/zinc/12/75/76/1174127576.db2.gz CIUANPHINGVCMM-UHFFFAOYSA-N -1 1 297.322 1.275 20 0 CDADMM c1[nH]nc(NCc2cccc3c2CCOC3)c1-c1nn[n-]n1 ZINC001593553454 1174127580 /nfs/dbraw/zinc/12/75/80/1174127580.db2.gz CIUANPHINGVCMM-UHFFFAOYSA-N -1 1 297.322 1.275 20 0 CDADMM c1ccc2c(c1)CC[C@@H](Nc1ccnc(-c3nn[n-]n3)n1)C2 ZINC001593581886 1174147313 /nfs/dbraw/zinc/14/73/13/1174147313.db2.gz YFGSTRLBFOJESG-GFCCVEGCSA-N -1 1 293.334 1.048 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC001593582894 1174147438 /nfs/dbraw/zinc/14/74/38/1174147438.db2.gz DTUUDVMQWXKFRY-PHIMTYICSA-N -1 1 270.340 1.888 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC001593582894 1174147440 /nfs/dbraw/zinc/14/74/40/1174147440.db2.gz DTUUDVMQWXKFRY-PHIMTYICSA-N -1 1 270.340 1.888 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001593590341 1174156735 /nfs/dbraw/zinc/15/67/35/1174156735.db2.gz OUKNVHQDZINOAJ-ATZCPNFKSA-N -1 1 287.327 1.026 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001593590341 1174156742 /nfs/dbraw/zinc/15/67/42/1174156742.db2.gz OUKNVHQDZINOAJ-ATZCPNFKSA-N -1 1 287.327 1.026 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NCC[C@H]1CCCCO1 ZINC001593595834 1174163946 /nfs/dbraw/zinc/16/39/46/1174163946.db2.gz YUXRMFVMDLMVLZ-SECBINFHSA-N -1 1 275.316 1.028 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NCC[C@H]1CCCCO1 ZINC001593595834 1174163952 /nfs/dbraw/zinc/16/39/52/1174163952.db2.gz YUXRMFVMDLMVLZ-SECBINFHSA-N -1 1 275.316 1.028 20 0 CDADMM Cc1cc(C(=O)[O-])oc1C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC001600129067 1174371131 /nfs/dbraw/zinc/37/11/31/1174371131.db2.gz GTGYOIICEKLMNR-NSHDSACASA-N -1 1 292.335 1.452 20 0 CDADMM Cc1cc(C)cc(OCC[N@@H+](CCC(=O)[O-])CC(=O)[O-])c1 ZINC001600175247 1174388051 /nfs/dbraw/zinc/38/80/51/1174388051.db2.gz INHANNZFSCCPQL-UHFFFAOYSA-N -1 1 295.335 1.544 20 0 CDADMM Cc1cc(CN2CC(c3cc(C(=O)[O-])n[nH]3)C2)c(C)o1 ZINC001600192446 1174399116 /nfs/dbraw/zinc/39/91/16/1174399116.db2.gz PTAXEZHXAMJYIZ-UHFFFAOYSA-N -1 1 275.308 1.917 20 0 CDADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CC[C@@H]2C[C@@H]2C1 ZINC001600357811 1174452085 /nfs/dbraw/zinc/45/20/85/1174452085.db2.gz YHMNRBNVYOZPDK-DGCLKSJQSA-N -1 1 288.347 1.974 20 0 CDADMM Cc1nc2cccc(C(=O)N[C@H](C)/C=C/C(=O)[O-])c2[nH]1 ZINC001600720850 1174578919 /nfs/dbraw/zinc/57/89/19/1174578919.db2.gz MGFIELTXCXYMFO-HYDMIIDASA-N -1 1 273.292 1.630 20 0 CDADMM Nc1ccnc2c1CN(Cc1occc1C(=O)[O-])CC2 ZINC001601218892 1174795698 /nfs/dbraw/zinc/79/56/98/1174795698.db2.gz QIMNIWAKYDDIKW-UHFFFAOYSA-N -1 1 273.292 1.513 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)C[C@H]3CCOC3)[nH]c21 ZINC001601351974 1174841113 /nfs/dbraw/zinc/84/11/13/1174841113.db2.gz ZGZHUDZFFZRFAD-MRVPVSSYSA-N -1 1 289.291 1.626 20 0 CDADMM O=C([O-])C1(CNC(=O)c2ccc(Cl)c(O)c2)CC1 ZINC001601469607 1174878850 /nfs/dbraw/zinc/87/88/50/1174878850.db2.gz DWEYQVHEJZVJBN-UHFFFAOYSA-N -1 1 269.684 1.640 20 0 CDADMM O=C([O-])[C@H]1[C@@H](CN2CCc3ncsc3C2)C1(F)F ZINC001601748914 1174983572 /nfs/dbraw/zinc/98/35/72/1174983572.db2.gz OCYATWQNVDQHSS-HZGVNTEJSA-N -1 1 274.292 1.467 20 0 CDADMM O=C([O-])C[C@]1(NC/C(Cl)=C\Cl)CCOC1 ZINC001601933042 1175071297 /nfs/dbraw/zinc/07/12/97/1175071297.db2.gz MHHVQFJQQANUNS-ILFKPUCNSA-N -1 1 254.113 1.529 20 0 CDADMM O=C([O-])CC1(NCc2nnc(C3CC3)n2C2CC2)CC1 ZINC001601937918 1175074755 /nfs/dbraw/zinc/07/47/55/1175074755.db2.gz LLEFMXAGOJBSDA-UHFFFAOYSA-N -1 1 276.340 1.587 20 0 CDADMM O=C([O-])C[C@@]1(NCc2csc(C3CC3)n2)CCOC1 ZINC001601937381 1175074834 /nfs/dbraw/zinc/07/48/34/1175074834.db2.gz PSRNAJNHBLALPX-ZDUSSCGKSA-N -1 1 282.365 1.744 20 0 CDADMM O=C([O-])CC1CC(NCc2nnc(C3CC3)s2)C1 ZINC001601946115 1175079369 /nfs/dbraw/zinc/07/93/69/1175079369.db2.gz CAQHGYNPDTWLKW-UHFFFAOYSA-N -1 1 267.354 1.758 20 0 CDADMM O=C([O-])CC[C@@H]1CC[C@H](c2nc([C@@H]3CCCN3)no2)O1 ZINC001602039510 1175115972 /nfs/dbraw/zinc/11/59/72/1175115972.db2.gz YFGYHPFNHPTKFP-LPEHRKFASA-N -1 1 281.312 1.579 20 0 CDADMM O=C([O-])CN1CCN(C(=O)c2ccc3ccncc3c2)CC1 ZINC001602062695 1175124294 /nfs/dbraw/zinc/12/42/94/1175124294.db2.gz YSBCJEVTPZIORW-UHFFFAOYSA-N -1 1 299.330 1.077 20 0 CDADMM O=C([O-])[C@@H]1CN(Cc2ncc[nH]2)C[C@H]1c1ccc(O)cc1 ZINC001602190535 1175156943 /nfs/dbraw/zinc/15/69/43/1175156943.db2.gz WLRJDIRRHXNQGE-QWHCGFSZSA-N -1 1 287.319 1.416 20 0 CDADMM O=C([O-])[C@@H]1OCC[C@@H]1NCc1ccc(Br)o1 ZINC001602202534 1175161190 /nfs/dbraw/zinc/16/11/90/1175161190.db2.gz FWWMDIDTFXLHDY-IONNQARKSA-N -1 1 290.113 1.374 20 0 CDADMM O=C([O-])c1c[nH]c(SCCN2C[C@H]3CC[C@@H](C2)O3)n1 ZINC001602238647 1175176781 /nfs/dbraw/zinc/17/67/81/1175176781.db2.gz QEXUQSCINSNWFN-DTORHVGOSA-N -1 1 283.353 1.063 20 0 CDADMM O=C([O-])c1cc(CN[C@@H]2CCCc3[nH]c(=O)ccc32)on1 ZINC001602258355 1175185616 /nfs/dbraw/zinc/18/56/16/1175185616.db2.gz FCFQOPSJADFXEZ-SNVBAGLBSA-N -1 1 289.291 1.641 20 0 CDADMM O=C([O-])c1ccc(CN2CCC[C@H](n3ccnc3)C2)nc1 ZINC001602338248 1175211937 /nfs/dbraw/zinc/21/19/37/1175211937.db2.gz IZIPXMYCCKWFGM-AWEZNQCLSA-N -1 1 286.335 1.813 20 0 CDADMM O=C([O-])c1cccc(Cl)c1CN1CCC(O)CC1 ZINC001602441987 1175241421 /nfs/dbraw/zinc/24/14/21/1175241421.db2.gz UNUAAGWJPGGCSF-UHFFFAOYSA-N -1 1 269.728 1.995 20 0 CDADMM O=C([O-])c1ccoc1CN1CC[C@](O)(C(F)F)C1 ZINC001602484972 1175256773 /nfs/dbraw/zinc/25/67/73/1175256773.db2.gz BUSORAPEQDNGLI-LLVKDONJSA-N -1 1 261.224 1.180 20 0 CDADMM O=C([O-])c1cnoc1CN1CCC(c2ncccn2)CC1 ZINC001602547702 1175287322 /nfs/dbraw/zinc/28/73/22/1175287322.db2.gz VZFCTDPBMXHAQC-UHFFFAOYSA-N -1 1 288.307 1.542 20 0 CDADMM CC(C)(C)O[N-]C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000125932352 1175422088 /nfs/dbraw/zinc/42/20/88/1175422088.db2.gz XNQRTLWKRNUMEN-ZDUSSCGKSA-N -1 1 290.363 1.881 20 0 CDADMM CC(C)(CO)CCNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001603151906 1175503031 /nfs/dbraw/zinc/50/30/31/1175503031.db2.gz HQULFDYTTPOWAD-UHFFFAOYSA-N -1 1 295.368 1.067 20 0 CDADMM CC(C)(CO)CCNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001603151906 1175503037 /nfs/dbraw/zinc/50/30/37/1175503037.db2.gz HQULFDYTTPOWAD-UHFFFAOYSA-N -1 1 295.368 1.067 20 0 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/nfs/dbraw/zinc/13/58/50/177135850.db2.gz RPIZCTFMRUHEPK-UHFFFAOYSA-N -1 1 287.201 1.236 20 0 CDADMM O=S(=O)([N-]Cc1nccs1)c1cc(F)ccc1F ZINC000077656926 177291749 /nfs/dbraw/zinc/29/17/49/177291749.db2.gz HVAQHEQJYKDNNE-UHFFFAOYSA-N -1 1 290.316 1.900 20 0 CDADMM C[C@@H]1CN(C(=O)c2c(F)ccc([O-])c2F)CC[C@H]1O ZINC000336600638 296909125 /nfs/dbraw/zinc/90/91/25/296909125.db2.gz XNGMLHUGCJOMFZ-VXNVDRBHSA-N -1 1 271.263 1.513 20 0 CDADMM CC(C)C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589412841 1173141868 /nfs/dbraw/zinc/14/18/68/1173141868.db2.gz VMHVMBBJHKBMBK-UHFFFAOYSA-N -1 1 272.721 1.571 20 0 CDADMM CC(C)[C@@H](C)N(C)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589437720 1173144435 /nfs/dbraw/zinc/14/44/35/1173144435.db2.gz XWHDJCMSYNXTQA-SECBINFHSA-N -1 1 289.343 1.770 20 0 CDADMM CC(C)[C@@H](C)N(C)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589437720 1173144440 /nfs/dbraw/zinc/14/44/40/1173144440.db2.gz XWHDJCMSYNXTQA-SECBINFHSA-N -1 1 289.343 1.770 20 0 CDADMM CC(C)OCC(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001589746065 1173170320 /nfs/dbraw/zinc/17/03/20/1173170320.db2.gz KPWOYXDFUOSFKQ-UHFFFAOYSA-N -1 1 282.325 1.396 20 0 CDADMM CC(C)SCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589761364 1173172273 /nfs/dbraw/zinc/17/22/73/1173172273.db2.gz LPRYRAZAXRGVKS-UHFFFAOYSA-N -1 1 297.409 1.800 20 0 CDADMM CC(C)SCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589761364 1173172280 /nfs/dbraw/zinc/17/22/80/1173172280.db2.gz LPRYRAZAXRGVKS-UHFFFAOYSA-N -1 1 297.409 1.800 20 0 CDADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CO)CCF)cc1F ZINC000651894981 423869453 /nfs/dbraw/zinc/86/94/53/423869453.db2.gz WOWRSYWFRNOYAH-MRVPVSSYSA-N -1 1 297.298 1.272 20 0 CDADMM C[C@H](NCc1nc(-c2ccccc2)no1)[C@H](C)C(=O)[O-] ZINC000652364552 424316847 /nfs/dbraw/zinc/31/68/47/424316847.db2.gz YZBVQNQKDDFYOI-UWVGGRQHSA-N -1 1 275.308 1.935 20 0 CDADMM C[C@H](c1ccccc1)[C@@H](O)CN1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000652509765 424501752 /nfs/dbraw/zinc/50/17/52/424501752.db2.gz JRODLXXBQRXPMQ-RJZRQDKASA-N -1 1 293.363 1.325 20 0 CDADMM COc1ccccc1CCCN1CCOC[C@H]1CC(=O)[O-] ZINC000652475610 424470764 /nfs/dbraw/zinc/47/07/64/424470764.db2.gz AURLDPHJWVAMII-CQSZACIVSA-N -1 1 293.363 1.803 20 0 CDADMM CC1(C(=O)OCc2ccc(-c3nn[n-]n3)s2)COC1 ZINC001590074666 1173246351 /nfs/dbraw/zinc/24/63/51/1173246351.db2.gz WGEANQFNVRKGFF-UHFFFAOYSA-N -1 1 280.309 1.008 20 0 CDADMM CC1(COC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001590135397 1173268854 /nfs/dbraw/zinc/26/88/54/1173268854.db2.gz CJTRRAGTICGLJX-UHFFFAOYSA-N -1 1 259.269 1.219 20 0 CDADMM CC1(COC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001590135397 1173268856 /nfs/dbraw/zinc/26/88/56/1173268856.db2.gz CJTRRAGTICGLJX-UHFFFAOYSA-N -1 1 259.269 1.219 20 0 CDADMM C[C@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)CCC1=O ZINC001590316050 1173353047 /nfs/dbraw/zinc/35/30/47/1173353047.db2.gz JAHAWSZQULFHBK-YFKPBYRVSA-N -1 1 298.759 1.392 20 0 CDADMM C[C@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)CCC1=O ZINC001590316050 1173353052 /nfs/dbraw/zinc/35/30/52/1173353052.db2.gz JAHAWSZQULFHBK-YFKPBYRVSA-N -1 1 298.759 1.392 20 0 CDADMM CCC(C)(CC)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590381335 1173383384 /nfs/dbraw/zinc/38/33/84/1173383384.db2.gz JWPZWEXUDSCUEM-UHFFFAOYSA-N -1 1 263.305 1.355 20 0 CDADMM CCC(C)(CC)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590381335 1173383389 /nfs/dbraw/zinc/38/33/89/1173383389.db2.gz JWPZWEXUDSCUEM-UHFFFAOYSA-N -1 1 263.305 1.355 20 0 CDADMM CC[C@@](C)(OC)C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001590385139 1173386838 /nfs/dbraw/zinc/38/68/38/1173386838.db2.gz OTNNWVAPOQYXCF-CYBMUJFWSA-N -1 1 291.311 1.120 20 0 CDADMM CC[C@@](C)(OC)C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001590385139 1173386843 /nfs/dbraw/zinc/38/68/43/1173386843.db2.gz OTNNWVAPOQYXCF-CYBMUJFWSA-N -1 1 291.311 1.120 20 0 CDADMM CC[C@@H](C)[C@@H](O)CNc1nc(-c2nn[n-]n2)ccc1C ZINC001590400689 1173389414 /nfs/dbraw/zinc/38/94/14/1173389414.db2.gz SRYWSIGZVLUTQX-KCJUWKMLSA-N -1 1 276.344 1.389 20 0 CDADMM CC[C@H](C)[C@@H](C)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590399709 1173389538 /nfs/dbraw/zinc/38/95/38/1173389538.db2.gz KHNWEEXPMLNCQY-DTWKUNHWSA-N -1 1 289.343 1.818 20 0 CDADMM CC[C@H](C)[C@@H](C)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590399709 1173389545 /nfs/dbraw/zinc/38/95/45/1173389545.db2.gz KHNWEEXPMLNCQY-DTWKUNHWSA-N -1 1 289.343 1.818 20 0 CDADMM CC[C@@H](CC(F)(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590423335 1173404722 /nfs/dbraw/zinc/40/47/22/1173404722.db2.gz XPEHOFNXKMAOOG-LURJTMIESA-N -1 1 287.249 1.800 20 0 CDADMM CC[C@@H](CC(F)(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590423335 1173404726 /nfs/dbraw/zinc/40/47/26/1173404726.db2.gz XPEHOFNXKMAOOG-LURJTMIESA-N -1 1 287.249 1.800 20 0 CDADMM CCC(CC)C(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001590430086 1173405668 /nfs/dbraw/zinc/40/56/68/1173405668.db2.gz CQCHKGGXXRJERS-UHFFFAOYSA-N -1 1 277.332 1.283 20 0 CDADMM CCC(CC)C(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001590430086 1173405672 /nfs/dbraw/zinc/40/56/72/1173405672.db2.gz CQCHKGGXXRJERS-UHFFFAOYSA-N -1 1 277.332 1.283 20 0 CDADMM O=C(Nc1nnn[n-]1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000175488020 280069589 /nfs/dbraw/zinc/06/95/89/280069589.db2.gz OFHGEENPTXZJDN-SMDDNHRTSA-N -1 1 269.308 1.432 20 0 CDADMM O=C(Nc1nn[n-]n1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000175488020 280069591 /nfs/dbraw/zinc/06/95/91/280069591.db2.gz OFHGEENPTXZJDN-SMDDNHRTSA-N -1 1 269.308 1.432 20 0 CDADMM CC(C)c1ccccc1OCC(=O)Nc1nnn[n-]1 ZINC000524576792 281111952 /nfs/dbraw/zinc/11/19/52/281111952.db2.gz VRXCTXKGFNTIHT-UHFFFAOYSA-N -1 1 261.285 1.341 20 0 CDADMM CC(C)c1ccccc1OCC(=O)Nc1nn[n-]n1 ZINC000524576792 281111955 /nfs/dbraw/zinc/11/19/55/281111955.db2.gz VRXCTXKGFNTIHT-UHFFFAOYSA-N -1 1 261.285 1.341 20 0 CDADMM C[C@@]1(CNC(=O)c2csc(=NC3CC3)[n-]2)CCOC1 ZINC000532664679 282018278 /nfs/dbraw/zinc/01/82/78/282018278.db2.gz RUQSSILNTACLJC-ZDUSSCGKSA-N -1 1 281.381 1.296 20 0 CDADMM COc1ccc(NC(=O)CNC2(C(=O)[O-])CCCC2)cc1 ZINC000532880826 282059937 /nfs/dbraw/zinc/05/99/37/282059937.db2.gz APBYLSRLIBGTAX-UHFFFAOYSA-N -1 1 292.335 1.621 20 0 CDADMM O=C([O-])C[C@@H]1CCCN(CC(=O)NC(C2CC2)C2CC2)C1 ZINC000532882003 282060797 /nfs/dbraw/zinc/06/07/97/282060797.db2.gz UDJXWVIKYCAZSM-NSHDSACASA-N -1 1 294.395 1.478 20 0 CDADMM CCC1(CNc2cc(C)nc(-c3nnn[n-]3)c2)COC1 ZINC001590496256 1173432805 /nfs/dbraw/zinc/43/28/05/1173432805.db2.gz PARQSDSOSYBCRK-UHFFFAOYSA-N -1 1 274.328 1.409 20 0 CDADMM CCC1(CNc2cc(C)nc(-c3nn[n-]n3)c2)COC1 ZINC001590496256 1173432808 /nfs/dbraw/zinc/43/28/08/1173432808.db2.gz PARQSDSOSYBCRK-UHFFFAOYSA-N -1 1 274.328 1.409 20 0 CDADMM CC[C@H]1[C@H](C)CCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590502248 1173437737 /nfs/dbraw/zinc/43/77/37/1173437737.db2.gz MTJCYEMPLZNPKR-SCZZXKLOSA-N -1 1 275.312 1.720 20 0 CDADMM COc1ccsc1S(=O)(=O)[N-]c1[nH]nc(C)c1C ZINC000151412885 289092137 /nfs/dbraw/zinc/09/21/37/289092137.db2.gz QVWYTDCVWLEEJY-UHFFFAOYSA-N -1 1 287.366 1.897 20 0 CDADMM C[C@@H](c1ccccc1F)S(=O)(=O)c1ncn[n-]1 ZINC000153009203 289154340 /nfs/dbraw/zinc/15/43/40/289154340.db2.gz XVKIDXWJZGGERB-ZETCQYMHSA-N -1 1 255.274 1.479 20 0 CDADMM C[C@@H](c1ccccc1F)S(=O)(=O)c1nc[n-]n1 ZINC000153009203 289154342 /nfs/dbraw/zinc/15/43/42/289154342.db2.gz XVKIDXWJZGGERB-ZETCQYMHSA-N -1 1 255.274 1.479 20 0 CDADMM CCc1ccccc1C(=O)Nc1nc(SCCO)n[nH]1 ZINC000155296615 289234098 /nfs/dbraw/zinc/23/40/98/289234098.db2.gz CRCQQGCXAOSUPN-UHFFFAOYSA-N -1 1 292.364 1.704 20 0 CDADMM Cc1cncc(C=CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1 ZINC000155613380 289245348 /nfs/dbraw/zinc/24/53/48/289245348.db2.gz SZUVYOSEGPVOOY-MUBLQREKSA-N -1 1 298.350 1.323 20 0 CDADMM CN(C)c1ccncc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263377786 289429721 /nfs/dbraw/zinc/42/97/21/289429721.db2.gz BDOWNUBBBBZGSD-UHFFFAOYSA-N -1 1 291.351 1.521 20 0 CDADMM C[C@@]1(CN=c2ccc(C(N)=O)n[n-]2)C[C@H]1c1ccccc1 ZINC000549199452 289960327 /nfs/dbraw/zinc/96/03/27/289960327.db2.gz GHJVBQCRYXHFRI-LRDDRELGSA-N -1 1 282.347 1.603 20 0 CDADMM Cc1nc2ccccn2c1CN=c1[n-]nc(C)n1C1CC1 ZINC000551451768 290007574 /nfs/dbraw/zinc/00/75/74/290007574.db2.gz WJNFHYPAQIGPAE-UHFFFAOYSA-N -1 1 282.351 1.912 20 0 CDADMM Cn1[n-]c(CNC2(c3ccc(Cl)cc3)CC2)nc1=O ZINC000554850130 290194639 /nfs/dbraw/zinc/19/46/39/290194639.db2.gz CAOMFTDETKNQMR-UHFFFAOYSA-N -1 1 278.743 1.541 20 0 CDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2ccccc2C1)c1nn[n-]n1 ZINC000563250552 293324983 /nfs/dbraw/zinc/32/49/83/293324983.db2.gz NFAUJOIKDAXDCP-SMDDNHRTSA-N -1 1 299.378 1.567 20 0 CDADMM COc1ccc2nc(CN(C)C[C@H](C)C(=O)[O-])[nH]c2n1 ZINC000563279638 293331657 /nfs/dbraw/zinc/33/16/57/293331657.db2.gz DABJATOVLWAQHC-QMMMGPOBSA-N -1 1 278.312 1.119 20 0 CDADMM Cc1noc(C)c1CCNc1nc(C(=O)[O-])co1 ZINC000568751404 294094087 /nfs/dbraw/zinc/09/40/87/294094087.db2.gz BUXZJSWKDBVBGP-UHFFFAOYSA-N -1 1 251.242 1.054 20 0 CDADMM C[C@@]1(CO)CCC[C@@H]1NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000570230031 294200851 /nfs/dbraw/zinc/20/08/51/294200851.db2.gz GEVVINNCEPTGDT-FZMZJTMJSA-N -1 1 295.408 1.420 20 0 CDADMM Cc1c(F)cccc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000570673195 294286281 /nfs/dbraw/zinc/28/62/81/294286281.db2.gz CMHKVKJPXRJHQI-UHFFFAOYSA-N -1 1 261.260 1.066 20 0 CDADMM CCO[C@@H](C(=O)Nc1ncc(-c2nnn[n-]2)s1)C1CC1 ZINC001590781170 1173507317 /nfs/dbraw/zinc/50/73/17/1173507317.db2.gz NEJCGVXNAUOEFY-MRVPVSSYSA-N -1 1 294.340 1.077 20 0 CDADMM CCO[C@@H](C(=O)Nc1ncc(-c2nn[n-]n2)s1)C1CC1 ZINC001590781170 1173507318 /nfs/dbraw/zinc/50/73/18/1173507318.db2.gz NEJCGVXNAUOEFY-MRVPVSSYSA-N -1 1 294.340 1.077 20 0 CDADMM Cc1cc(=NC(=O)N2CCN(C)C[C@@H]2C(C)C)[n-]nc1C ZINC000354957117 301045562 /nfs/dbraw/zinc/04/55/62/301045562.db2.gz WWXSRFXPMWLPFQ-CYBMUJFWSA-N -1 1 291.399 1.319 20 0 CDADMM Cc1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])n[nH]1 ZINC000070378603 301125807 /nfs/dbraw/zinc/12/58/07/301125807.db2.gz YDLGTDKIMLIHIO-CYBMUJFWSA-N -1 1 285.303 1.370 20 0 CDADMM CCc1nc(NC/C=C/C2CC2)cc(-c2nnn[n-]2)n1 ZINC001590919169 1173543735 /nfs/dbraw/zinc/54/37/35/1173543735.db2.gz NWRIUZRPDSMVNV-ONEGZZNKSA-N -1 1 271.328 1.597 20 0 CDADMM CCc1nc(NC/C=C/C2CC2)cc(-c2nn[n-]n2)n1 ZINC001590919169 1173543739 /nfs/dbraw/zinc/54/37/39/1173543739.db2.gz NWRIUZRPDSMVNV-ONEGZZNKSA-N -1 1 271.328 1.597 20 0 CDADMM COC[C@H](COc1ccc(F)nc1-c1nnn[n-]1)C(C)C ZINC001591378148 1173637751 /nfs/dbraw/zinc/63/77/51/1173637751.db2.gz YELIELBBXCSYFM-SECBINFHSA-N -1 1 295.318 1.698 20 0 CDADMM COC[C@H](COc1ccc(F)nc1-c1nn[n-]n1)C(C)C ZINC001591378148 1173637758 /nfs/dbraw/zinc/63/77/58/1173637758.db2.gz YELIELBBXCSYFM-SECBINFHSA-N -1 1 295.318 1.698 20 0 CDADMM CSC[C@@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001591694691 1173683340 /nfs/dbraw/zinc/68/33/40/1173683340.db2.gz QEVARUBSLNEACS-SSDOTTSWSA-N -1 1 298.393 1.971 20 0 CDADMM CSc1ccccc1Cn1cc(-c2nn[n-]n2)nn1 ZINC001591715885 1173691004 /nfs/dbraw/zinc/69/10/04/1173691004.db2.gz NWISPLIDJLLJND-UHFFFAOYSA-N -1 1 273.325 1.228 20 0 CDADMM CCc1cc(=O)[n-]c(C[N@H+]([C@H](C)C(=O)[O-])C2CCC2)n1 ZINC000563454910 316314651 /nfs/dbraw/zinc/31/46/51/316314651.db2.gz IODYJZLQVSOPKS-SECBINFHSA-N -1 1 279.340 1.572 20 0 CDADMM CCc1cc(=O)[n-]c(C[N@@H+]([C@H](C)C(=O)[O-])C2CCC2)n1 ZINC000563454910 316314653 /nfs/dbraw/zinc/31/46/53/316314653.db2.gz IODYJZLQVSOPKS-SECBINFHSA-N -1 1 279.340 1.572 20 0 CDADMM CN(C)c1cnc(-c2nc3ccc(F)cc3c(=O)[n-]2)cn1 ZINC000563738519 316364959 /nfs/dbraw/zinc/36/49/59/316364959.db2.gz CYIRSXSGNAHJNI-UHFFFAOYSA-N -1 1 285.282 1.998 20 0 CDADMM CC(C)[C@H](N)C(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000563882983 316388865 /nfs/dbraw/zinc/38/88/65/316388865.db2.gz QJXQBSZGTBRWHQ-ZDUSSCGKSA-N -1 1 294.305 1.699 20 0 CDADMM Cc1cc(CSc2cccnc2-c2nnn[n-]2)no1 ZINC001591972529 1173762940 /nfs/dbraw/zinc/76/29/40/1173762940.db2.gz IKQACIGXMCBBSJ-UHFFFAOYSA-N -1 1 274.309 1.850 20 0 CDADMM Cc1cc(CSc2cccnc2-c2nn[n-]n2)no1 ZINC001591972529 1173762946 /nfs/dbraw/zinc/76/29/46/1173762946.db2.gz IKQACIGXMCBBSJ-UHFFFAOYSA-N -1 1 274.309 1.850 20 0 CDADMM CC[C@@]1(C(C)C)C[C@@H]1Nc1nc2[nH][n-]cc-2c(=O)n1 ZINC000577203409 317285098 /nfs/dbraw/zinc/28/50/98/317285098.db2.gz JDJQWUVVOZUGBK-ZANVPECISA-N -1 1 261.329 1.669 20 0 CDADMM CCCN(C(=O)c1coc(S(=O)(=O)[N-]C)c1)C(C)C ZINC000577745322 317396207 /nfs/dbraw/zinc/39/62/07/317396207.db2.gz GPJSTMSSLNOGPU-UHFFFAOYSA-N -1 1 288.369 1.448 20 0 CDADMM Cc1cc(NCC[C@H]2CCCO2)nc(-c2nnn[n-]2)c1 ZINC001592051469 1173786360 /nfs/dbraw/zinc/78/63/60/1173786360.db2.gz UHNCNONANOEQAZ-SNVBAGLBSA-N -1 1 274.328 1.551 20 0 CDADMM Cc1cc(NCC[C@H]2CCCO2)nc(-c2nn[n-]n2)c1 ZINC001592051469 1173786361 /nfs/dbraw/zinc/78/63/61/1173786361.db2.gz UHNCNONANOEQAZ-SNVBAGLBSA-N -1 1 274.328 1.551 20 0 CDADMM Cc1n[nH]cc1CN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001592331806 1173856130 /nfs/dbraw/zinc/85/61/30/1173856130.db2.gz WBFPFKLUBUTEES-UHFFFAOYSA-N -1 1 290.356 1.300 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]3CCC[C@@H]32)n1 ZINC001592341170 1173861574 /nfs/dbraw/zinc/86/15/74/1173861574.db2.gz NSCGUCMJVCNRJJ-ONGXEEELSA-N -1 1 271.328 1.344 20 0 CDADMM CCOCCCC(=O)Nc1cc(C(=O)OCC)[nH]n1 ZINC000180938119 323223470 /nfs/dbraw/zinc/22/34/70/323223470.db2.gz WFERKLOVJYZWIV-UHFFFAOYSA-N -1 1 269.301 1.342 20 0 CDADMM C[NH+](C)[C@@H](CNC(=O)c1cccc2n[nH]nc21)c1ccco1 ZINC000182672429 323293501 /nfs/dbraw/zinc/29/35/01/323293501.db2.gz HKXFFJUIIVJINM-LBPRGKRZSA-N -1 1 299.334 1.584 20 0 CDADMM Cc1nc(N[C@@H]2CCCC(F)(F)C2)cc(-c2nnn[n-]2)n1 ZINC001592381863 1173873280 /nfs/dbraw/zinc/87/32/80/1173873280.db2.gz GZJDKRYPJCDXIJ-MRVPVSSYSA-N -1 1 295.297 1.955 20 0 CDADMM Cc1nc(N[C@@H]2CCCC(F)(F)C2)cc(-c2nn[n-]n2)n1 ZINC001592381863 1173873290 /nfs/dbraw/zinc/87/32/90/1173873290.db2.gz GZJDKRYPJCDXIJ-MRVPVSSYSA-N -1 1 295.297 1.955 20 0 CDADMM Cc1ncsc1COc1ccc(F)nc1-c1nn[n-]n1 ZINC001592426368 1173888734 /nfs/dbraw/zinc/88/87/34/1173888734.db2.gz WEDJSAKMWKQNNV-UHFFFAOYSA-N -1 1 292.299 1.745 20 0 CDADMM C[C@H](CC(=O)[O-])CC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000582557028 325000709 /nfs/dbraw/zinc/00/07/09/325000709.db2.gz RVHIZLZTYBWYHR-QMMMGPOBSA-N -1 1 293.298 1.819 20 0 CDADMM O=C(c1ccc([O-])cc1F)N1CCC(c2nnco2)CC1 ZINC000582693281 325024757 /nfs/dbraw/zinc/02/47/57/325024757.db2.gz VQYJATHRLVEQOL-UHFFFAOYSA-N -1 1 291.282 1.934 20 0 CDADMM O=C1N=NC(CSc2nc(C(F)F)cc(=O)[n-]2)S1 ZINC000582848653 325056548 /nfs/dbraw/zinc/05/65/48/325056548.db2.gz BCLUZTTUCFMKEG-UHFFFAOYSA-N -1 1 292.292 1.969 20 0 CDADMM CCC[C@@H](NC(=O)[C@@H]1CCCSC1)c1nn[n-]n1 ZINC000582999989 325085696 /nfs/dbraw/zinc/08/56/96/325085696.db2.gz GHCTVRWRZABZFO-RKDXNWHRSA-N -1 1 269.374 1.300 20 0 CDADMM Cc1nsc(N2CCC(C)CC2)c1-c1nn[n-]n1 ZINC001592472512 1173900543 /nfs/dbraw/zinc/90/05/43/1173900543.db2.gz NUSKZMFNVAIELG-UHFFFAOYSA-N -1 1 264.358 1.868 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC1C(C)(C)C1(C)C ZINC001592499172 1173905275 /nfs/dbraw/zinc/90/52/75/1173905275.db2.gz KADCYSHFYWIRKZ-UHFFFAOYSA-N -1 1 289.339 1.933 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC1C(C)(C)C1(C)C ZINC001592499172 1173905281 /nfs/dbraw/zinc/90/52/81/1173905281.db2.gz KADCYSHFYWIRKZ-UHFFFAOYSA-N -1 1 289.339 1.933 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C)C(F)(F)F ZINC001592499838 1173905483 /nfs/dbraw/zinc/90/54/83/1173905483.db2.gz SCUIDFVKAJFAET-YFKPBYRVSA-N -1 1 289.217 1.449 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C)C(F)(F)F ZINC001592499838 1173905489 /nfs/dbraw/zinc/90/54/89/1173905489.db2.gz SCUIDFVKAJFAET-YFKPBYRVSA-N -1 1 289.217 1.449 20 0 CDADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1csnn1 ZINC000398242087 1159630258 /nfs/dbraw/zinc/63/02/58/1159630258.db2.gz FMISRFSIGOQUCP-ZCFIWIBFSA-N -1 1 267.285 1.874 20 0 CDADMM NC(=O)C1CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000382057380 1160140674 /nfs/dbraw/zinc/14/06/74/1160140674.db2.gz ADVRVMUJEZTLAF-UHFFFAOYSA-N -1 1 270.288 1.103 20 0 CDADMM C[C@]1(C(=O)NCc2nn[n-]n2)C[C@@H]1c1ccccc1 ZINC000665736710 482297829 /nfs/dbraw/zinc/29/78/29/482297829.db2.gz GIBOFSSEDZTLEK-MFKMUULPSA-N -1 1 257.297 1.010 20 0 CDADMM CCNC(=O)C(C)(C)NC(=O)c1ccc([O-])c(F)c1 ZINC000654710732 482624663 /nfs/dbraw/zinc/62/46/63/482624663.db2.gz PJECYFHFJHAHJB-UHFFFAOYSA-N -1 1 268.288 1.176 20 0 CDADMM COC[C@H](NC(=O)c1ccc([O-])c(F)c1)C(C)C ZINC000681048776 482671227 /nfs/dbraw/zinc/67/12/27/482671227.db2.gz GUMDPHORUBLLSV-NSHDSACASA-N -1 1 255.289 1.932 20 0 CDADMM O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1ccc([O-])c(F)c1 ZINC000681065494 482679808 /nfs/dbraw/zinc/67/98/08/482679808.db2.gz DMXJPSGSNIDVAC-IAQYHMDHSA-N -1 1 295.310 1.599 20 0 CDADMM CCC[C@@H](NC(=O)[C@H]1Cc2ccc(F)cc21)c1nn[n-]n1 ZINC000684454308 482821926 /nfs/dbraw/zinc/82/19/26/482821926.db2.gz FZZCJZANNJDPGN-NWDGAFQWSA-N -1 1 289.314 1.636 20 0 CDADMM COCCN1C(=O)C2(CC2)N[C@@H]1c1cccc([O-])c1Cl ZINC000666195174 482836898 /nfs/dbraw/zinc/83/68/98/482836898.db2.gz BHGMJKVJFRYEJN-LBPRGKRZSA-N -1 1 296.754 1.655 20 0 CDADMM CC[C@H](C)N1CCN(C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000166766252 482842852 /nfs/dbraw/zinc/84/28/52/482842852.db2.gz GVEGCNRFSYUPCJ-LBPRGKRZSA-N -1 1 297.399 1.367 20 0 CDADMM CC(C)[C@@H]1CN(C(=O)NCC2(C(=O)[O-])CCC2)CCN1C ZINC000659423912 482856489 /nfs/dbraw/zinc/85/64/89/482856489.db2.gz WSRHWVIFTMSVCF-LBPRGKRZSA-N -1 1 297.399 1.223 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CCOCC12CC2 ZINC000670152106 482858940 /nfs/dbraw/zinc/85/89/40/482858940.db2.gz GPLFXGSMWCEOQI-UHFFFAOYSA-N -1 1 251.257 1.536 20 0 CDADMM C[C@H](C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1)C1CC1 ZINC000673911455 482878202 /nfs/dbraw/zinc/87/82/02/482878202.db2.gz OPPFFHQYHXGJLE-JOYOIKCWSA-N -1 1 271.324 1.451 20 0 CDADMM Cc1[nH]ccc1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000670405395 482893819 /nfs/dbraw/zinc/89/38/19/482893819.db2.gz RNCDPHRKNHHRTF-UHFFFAOYSA-N -1 1 276.296 1.432 20 0 CDADMM COc1ccc(S(=O)(=O)[N-]c2cnc[nH]2)cc1OC ZINC000685913966 482895813 /nfs/dbraw/zinc/89/58/13/482895813.db2.gz GLFIGNFLFBAALT-UHFFFAOYSA-N -1 1 283.309 1.228 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2ccc(OC(F)F)nc2)c1[O-] ZINC000670177305 482974195 /nfs/dbraw/zinc/97/41/95/482974195.db2.gz NEXXWBGACHUBSJ-UHFFFAOYSA-N -1 1 284.222 1.672 20 0 CDADMM O=C(NCCCOC[C@@H]1CCOC1)c1ccc([O-])c(F)c1 ZINC000681048752 483054178 /nfs/dbraw/zinc/05/41/78/483054178.db2.gz FZDRCOKODBGRJD-NSHDSACASA-N -1 1 297.326 1.704 20 0 CDADMM Cc1cc(CC(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)n[nH]1 ZINC000674789180 483116975 /nfs/dbraw/zinc/11/69/75/483116975.db2.gz DSJPWLXFGNIHJA-UHFFFAOYSA-N -1 1 299.290 1.243 20 0 CDADMM CC[C@]1(CO)CCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000682256251 483189592 /nfs/dbraw/zinc/18/95/92/483189592.db2.gz OIHLPXWJNWJYFX-CQSZACIVSA-N -1 1 267.300 1.908 20 0 CDADMM Cc1cc(C(=O)NCc2nn[n-]n2)nn1C1CCCCC1 ZINC000678992690 483246098 /nfs/dbraw/zinc/24/60/98/483246098.db2.gz DIWGDSUMJKJCFH-UHFFFAOYSA-N -1 1 289.343 1.140 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2ccc(N3CCCC3)cn2)c1[O-] ZINC000676692089 483560861 /nfs/dbraw/zinc/56/08/61/483560861.db2.gz JOYDIJJQSYTDLP-UHFFFAOYSA-N -1 1 287.323 1.671 20 0 CDADMM CCC[C@H](NC(=O)c1nc(C)c(C)s1)c1nn[n-]n1 ZINC000683625224 483598399 /nfs/dbraw/zinc/59/83/99/483598399.db2.gz RRMVMZUHLNAVEP-QMMMGPOBSA-N -1 1 280.357 1.544 20 0 CDADMM CC[C@H](O)CCCNC(=O)c1csc(=NC2CC2)[n-]1 ZINC000426658762 535964225 /nfs/dbraw/zinc/96/42/25/535964225.db2.gz XXXUYFZONRZSKO-JTQLQIEISA-N -1 1 283.397 1.420 20 0 CDADMM Cn1cncc1CC(=O)Nc1nc(Cl)ccc1[O-] ZINC000790047540 1162124336 /nfs/dbraw/zinc/12/43/36/1162124336.db2.gz IWBIZRKTHFYOOO-UHFFFAOYSA-N -1 1 266.688 1.355 20 0 CDADMM CCN(C)[C@@H](C(=O)N[C@H](C)C(=O)[O-])c1ccccc1 ZINC000236886465 520271712 /nfs/dbraw/zinc/27/17/12/520271712.db2.gz FFNDVMHSROAKKX-ZYHUDNBSSA-N -1 1 264.325 1.269 20 0 CDADMM CC[C@H](C)n1[nH]c(=NC(=O)c2cncc([O-])c2)cc1C ZINC000340004036 522068639 /nfs/dbraw/zinc/06/86/39/522068639.db2.gz PFZRCJFTJRGELW-VIFPVBQESA-N -1 1 274.324 1.937 20 0 CDADMM COc1ccc(CNC(=O)c2cncc([O-])c2)cc1F ZINC000111561493 524068239 /nfs/dbraw/zinc/06/82/39/524068239.db2.gz LQQXXHIZTKXLTE-UHFFFAOYSA-N -1 1 276.267 1.865 20 0 CDADMM COc1ccccc1C(=O)CNC(=O)c1cncc([O-])c1 ZINC000339940869 524337425 /nfs/dbraw/zinc/33/74/25/524337425.db2.gz WUEWHVFHOKUYRI-UHFFFAOYSA-N -1 1 286.287 1.409 20 0 CDADMM Cc1cc([C@@H](C)N2CCN(C)[C@H](C)C2)oc1C(=O)[O-] ZINC001600152353 1174381748 /nfs/dbraw/zinc/38/17/48/1174381748.db2.gz WYTGIJNJHFWQAH-GHMZBOCLSA-N -1 1 266.341 1.983 20 0 CDADMM C[C@@H](C[S@](C)=O)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000183201636 524886137 /nfs/dbraw/zinc/88/61/37/524886137.db2.gz QJBZTOYBFZCFCN-SKLCBMLGSA-N -1 1 297.348 1.010 20 0 CDADMM Cc1nn(C)cc1S(=O)(=O)[N-]C1(C(F)(F)F)CCC1 ZINC000335985819 527694866 /nfs/dbraw/zinc/69/48/66/527694866.db2.gz IRRZXYPYNVSOFW-UHFFFAOYSA-N -1 1 297.302 1.492 20 0 CDADMM CCC[C@H](NC(=O)Cn1ccc2ccccc21)c1nn[n-]n1 ZINC000176763985 528182436 /nfs/dbraw/zinc/18/24/36/528182436.db2.gz PPBXTYLHZRSPRR-LBPRGKRZSA-N -1 1 298.350 1.812 20 0 CDADMM CC(C)(CNC(=O)C(=O)c1ccc([O-])cc1)OCC1CC1 ZINC000412633831 535090115 /nfs/dbraw/zinc/09/01/15/535090115.db2.gz YMHVINOVZUORPA-UHFFFAOYSA-N -1 1 291.347 1.896 20 0 CDADMM CC(C)c1cc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)n[nH]1 ZINC000262694798 535357459 /nfs/dbraw/zinc/35/74/59/535357459.db2.gz BBJSYRMACPPDJD-RKDXNWHRSA-N -1 1 265.313 1.326 20 0 CDADMM Cc1cccc([C@H](O)CN(C)[C@H](COC(C)C)C(=O)[O-])c1 ZINC001600518471 1174493772 /nfs/dbraw/zinc/49/37/72/1174493772.db2.gz CXEGJHHNUPYSFU-HUUCEWRRSA-N -1 1 295.379 1.838 20 0 CDADMM CSc1ccc(Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000095192997 1174508050 /nfs/dbraw/zinc/50/80/50/1174508050.db2.gz SOPODEWJZYGUIK-UHFFFAOYSA-N -1 1 273.325 1.228 20 0 CDADMM Cc1cnn([C@H]2CCN(Cc3ccc(C(=O)[O-])o3)C2)c1 ZINC001600637348 1174545585 /nfs/dbraw/zinc/54/55/85/1174545585.db2.gz RHAMDLCLGLQPMH-NSHDSACASA-N -1 1 275.308 1.930 20 0 CDADMM Cc1oc(C(=O)[O-])cc1CN1CC[C@@](O)(C(F)F)C1 ZINC001600828337 1174632536 /nfs/dbraw/zinc/63/25/36/1174632536.db2.gz URIHTHLPPSKYNX-LBPRGKRZSA-N -1 1 275.251 1.488 20 0 CDADMM Cc1oc(CN[C@@H](CO)C[C@H](O)C(C)(C)C)cc1C(=O)[O-] ZINC001600852289 1174643770 /nfs/dbraw/zinc/64/37/70/1174643770.db2.gz SALUHMMIMABJPN-MFKMUULPSA-N -1 1 299.367 1.534 20 0 CDADMM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(C)(C)O ZINC000394022718 574447107 /nfs/dbraw/zinc/44/71/07/574447107.db2.gz QCKFFVVCUNLVSH-ZCFIWIBFSA-N -1 1 297.298 1.542 20 0 CDADMM CCCOC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000729287747 574745441 /nfs/dbraw/zinc/74/54/41/574745441.db2.gz KPPYEHMYELOJRP-UHFFFAOYSA-N -1 1 263.297 1.547 20 0 CDADMM CC[C@@H](C)OC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000738644609 574997683 /nfs/dbraw/zinc/99/76/83/574997683.db2.gz RNRSPYPVOSXJMS-MRVPVSSYSA-N -1 1 277.324 1.936 20 0 CDADMM CCc1nc(NC(=O)CN(C)C[C@H](C)C(=O)[O-])sc1C ZINC000737282437 575043440 /nfs/dbraw/zinc/04/34/40/575043440.db2.gz DZWDULGYJJZKQS-QMMMGPOBSA-N -1 1 299.396 1.605 20 0 CDADMM CCCCS[C@H](C)C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000736464110 575669851 /nfs/dbraw/zinc/66/98/51/575669851.db2.gz UZCKVDJIKOYZNX-NXEZZACHSA-N -1 1 299.400 1.021 20 0 CDADMM C[C@@H]1CCCC[C@@H]1CC(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765463283 575090219 /nfs/dbraw/zinc/09/02/19/575090219.db2.gz UNHPEQPJYRISAF-NXEZZACHSA-N -1 1 267.329 1.368 20 0 CDADMM O=C([O-])[C@@]1(O)CCN(Cc2ccc(C(F)F)nc2)C1 ZINC001601723302 1174969045 /nfs/dbraw/zinc/96/90/45/1174969045.db2.gz GLPDQGYVQBCAOB-GFCCVEGCSA-N -1 1 272.251 1.041 20 0 CDADMM O=C([O-])[C@H]1CC(=O)N(CN2CCCC3(CCCCC3)C2)C1 ZINC001601759840 1174993689 /nfs/dbraw/zinc/99/36/89/1174993689.db2.gz YTBHXVFLBVMGSZ-ZDUSSCGKSA-N -1 1 294.395 1.923 20 0 CDADMM C[C@H]1CO[C@@H](CO)CN1C(=O)c1c([O-])cccc1Cl ZINC000770023995 575413183 /nfs/dbraw/zinc/41/31/83/575413183.db2.gz QQJGAEBAKQASBB-DTWKUNHWSA-N -1 1 285.727 1.267 20 0 CDADMM C[C@@H](C(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccsc1 ZINC000735571962 575486802 /nfs/dbraw/zinc/48/68/02/575486802.db2.gz NMWSQFBLBYMRJL-ZCFIWIBFSA-N -1 1 289.324 1.151 20 0 CDADMM CC(C)(C)[C@@H](O)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000735594715 575489425 /nfs/dbraw/zinc/48/94/25/575489425.db2.gz ACVWPMLXERVTCG-QMMMGPOBSA-N -1 1 296.762 1.734 20 0 CDADMM CC(C)(C)[C@@H](O)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000735594715 575489427 /nfs/dbraw/zinc/48/94/27/575489427.db2.gz ACVWPMLXERVTCG-QMMMGPOBSA-N -1 1 296.762 1.734 20 0 CDADMM C[C@H](C(=O)NCCCCC(=O)[O-])N(C)Cc1ccccc1 ZINC000736213486 575591988 /nfs/dbraw/zinc/59/19/88/575591988.db2.gz FHVVVESBHBKDPA-CYBMUJFWSA-N -1 1 292.379 1.878 20 0 CDADMM C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736226676 575594386 /nfs/dbraw/zinc/59/43/86/575594386.db2.gz XOEASZWEHVUABU-AOOOYVTPSA-N -1 1 286.339 1.380 20 0 CDADMM C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736226676 575594388 /nfs/dbraw/zinc/59/43/88/575594388.db2.gz XOEASZWEHVUABU-AOOOYVTPSA-N -1 1 286.339 1.380 20 0 CDADMM C[C@@H]1C[C@H]1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736237392 575599198 /nfs/dbraw/zinc/59/91/98/575599198.db2.gz OCGTZWZSTOYNRI-APPZFPTMSA-N -1 1 259.269 1.075 20 0 CDADMM C[C@@H]1C[C@H]1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736237392 575599201 /nfs/dbraw/zinc/59/92/01/575599201.db2.gz OCGTZWZSTOYNRI-APPZFPTMSA-N -1 1 259.269 1.075 20 0 CDADMM CC(C)(C)CCNC(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736248194 575600100 /nfs/dbraw/zinc/60/01/00/575600100.db2.gz FONBAYYTYKBGIU-LBPRGKRZSA-N -1 1 296.411 1.726 20 0 CDADMM CC[C@H](C)[C@](C)(O)CNc1cccc(-c2nnn[n-]2)n1 ZINC000736328714 575625293 /nfs/dbraw/zinc/62/52/93/575625293.db2.gz HYGSXNFQKYFSSU-TVQRCGJNSA-N -1 1 276.344 1.471 20 0 CDADMM CC[C@H](C)[C@](C)(O)CNc1cccc(-c2nn[n-]n2)n1 ZINC000736328714 575625295 /nfs/dbraw/zinc/62/52/95/575625295.db2.gz HYGSXNFQKYFSSU-TVQRCGJNSA-N -1 1 276.344 1.471 20 0 CDADMM CC[C@H](CO)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000736352990 575631363 /nfs/dbraw/zinc/63/13/63/575631363.db2.gz MZUMJRVGDJGZFR-SECBINFHSA-N -1 1 284.323 1.598 20 0 CDADMM CC[C@H](CO)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000736352990 575631368 /nfs/dbraw/zinc/63/13/68/575631368.db2.gz MZUMJRVGDJGZFR-SECBINFHSA-N -1 1 284.323 1.598 20 0 CDADMM CCCC(O)(CCC)CNc1nccnc1-c1nnn[n-]1 ZINC000736436259 575660344 /nfs/dbraw/zinc/66/03/44/575660344.db2.gz PXXGXHCIOTZMBO-UHFFFAOYSA-N -1 1 291.359 1.400 20 0 CDADMM CCCC(O)(CCC)CNc1nccnc1-c1nn[n-]n1 ZINC000736436259 575660346 /nfs/dbraw/zinc/66/03/46/575660346.db2.gz PXXGXHCIOTZMBO-UHFFFAOYSA-N -1 1 291.359 1.400 20 0 CDADMM CC(C)N(CCC(=O)[O-])CC(=O)OCc1ccccc1 ZINC000736465819 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ZINC000037596307 600221345 /nfs/dbraw/zinc/22/13/45/600221345.db2.gz GTDWFWDCWWUZQE-UHFFFAOYSA-N -1 1 269.301 1.107 20 0 CDADMM CCC[C@H]1[C@H](C)CCCN1Cn1cnc(C(=O)[O-])n1 ZINC000829256273 600713278 /nfs/dbraw/zinc/71/32/78/600713278.db2.gz OEKDUYNGTJRJSJ-MNOVXSKESA-N -1 1 266.345 1.834 20 0 CDADMM CC[C@H](C)[C@H](NC(=O)CN1CCC2(CCCC2)C1)C(=O)[O-] ZINC000828717321 600849136 /nfs/dbraw/zinc/84/91/36/600849136.db2.gz IZZSVQBRYVGTOE-JSGCOSHPSA-N -1 1 296.411 1.868 20 0 CDADMM CC[C@@H](C(=O)[O-])N1Cc2ccc(C(=O)OC)cc2C1 ZINC000828603963 601001486 /nfs/dbraw/zinc/00/14/86/601001486.db2.gz RDLXYCJIMMVRLY-LBPRGKRZSA-N -1 1 263.293 1.652 20 0 CDADMM O=C([O-])[C@H](c1ccccc1)N1CCN(CCCCO)CC1 ZINC000833173620 601044365 /nfs/dbraw/zinc/04/43/65/601044365.db2.gz SRSNBTVOAVUWIQ-HNNXBMFYSA-N -1 1 292.379 1.202 20 0 CDADMM O=C([O-])c1ncn(CN2C[C@@H]3CCCC[C@@H]3C2)n1 ZINC000833345503 601400837 /nfs/dbraw/zinc/40/08/37/601400837.db2.gz YCJZVEDTPXPRBL-AOOOYVTPSA-N -1 1 250.302 1.056 20 0 CDADMM CN(C)c1cccc(CN2CC[C@](F)(C(=O)[O-])C2)c1 ZINC000830643136 601554737 /nfs/dbraw/zinc/55/47/37/601554737.db2.gz DMYBAQRQSIJLHD-CQSZACIVSA-N -1 1 266.316 1.751 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@@H+]2CCCC[C@H]2CC(=O)[O-])n1 ZINC000700428534 601601965 /nfs/dbraw/zinc/60/19/65/601601965.db2.gz GTONMFNFWXNUGH-JTQLQIEISA-N -1 1 265.313 1.320 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@H+]2CCCC[C@H]2CC(=O)[O-])n1 ZINC000700428534 601601967 /nfs/dbraw/zinc/60/19/67/601601967.db2.gz GTONMFNFWXNUGH-JTQLQIEISA-N -1 1 265.313 1.320 20 0 CDADMM Cc1cc(=O)[nH]c(CN2CCCC[C@H]2CC(=O)[O-])n1 ZINC000700428534 601601970 /nfs/dbraw/zinc/60/19/70/601601970.db2.gz GTONMFNFWXNUGH-JTQLQIEISA-N -1 1 265.313 1.320 20 0 CDADMM CCCN(CC(=O)N(C)C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000233009346 601620709 /nfs/dbraw/zinc/62/07/09/601620709.db2.gz KWEBBLJJNWLECL-UHFFFAOYSA-N -1 1 296.342 1.824 20 0 CDADMM COCCN(CCC(=O)[O-])Cc1nc2cc(F)ccc2o1 ZINC000831729844 601637137 /nfs/dbraw/zinc/63/71/37/601637137.db2.gz AZTRZSRAKURBIH-UHFFFAOYSA-N -1 1 296.298 1.890 20 0 CDADMM O=C([O-])[C@H](NC(=O)c1[nH]nc2c1CCC2)C1CCCCC1 ZINC000833125515 601789426 /nfs/dbraw/zinc/78/94/26/601789426.db2.gz LRYQRHBCYRKLRE-GFCCVEGCSA-N -1 1 291.351 1.662 20 0 CDADMM CC[C@@H]1CCCCN1C(=O)CN[C@@H](C(=O)[O-])C(C)(C)C ZINC000829118834 601870811 /nfs/dbraw/zinc/87/08/11/601870811.db2.gz KUCXIDIZXHXVED-YPMHNXCESA-N -1 1 284.400 1.866 20 0 CDADMM CC(=O)NCCCSCc1ccnc(-c2nnn[n-]2)c1 ZINC000823993928 607533195 /nfs/dbraw/zinc/53/31/95/607533195.db2.gz BURBTGMPTVCYCS-UHFFFAOYSA-N -1 1 292.368 1.021 20 0 CDADMM CC(=O)NCCCSCc1ccnc(-c2nn[n-]n2)c1 ZINC000823993928 607533198 /nfs/dbraw/zinc/53/31/98/607533198.db2.gz BURBTGMPTVCYCS-UHFFFAOYSA-N -1 1 292.368 1.021 20 0 CDADMM O=C([O-])c1ccc(F)c(NC(=O)NCCc2nc[nH]n2)c1 ZINC000080629441 601946342 /nfs/dbraw/zinc/94/63/42/601946342.db2.gz NTBZGNVXLHZCPD-UHFFFAOYSA-N -1 1 293.258 1.006 20 0 CDADMM CN(C)Cc1ccsc1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000830623640 602030905 /nfs/dbraw/zinc/03/09/05/602030905.db2.gz HHUMOQPQNROINM-CQSZACIVSA-N -1 1 296.392 1.747 20 0 CDADMM COC[C@@](C)(CC(=O)[O-])NC/C(Cl)=C\Cl ZINC000831577293 602047319 /nfs/dbraw/zinc/04/73/19/602047319.db2.gz DYEZUKILQWZMTD-ILFKPUCNSA-N -1 1 256.129 1.775 20 0 CDADMM CC[C@@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1)N(C)C ZINC000828586918 602179067 /nfs/dbraw/zinc/17/90/67/602179067.db2.gz LGPRQIBBUICQBG-NSHDSACASA-N -1 1 268.288 1.803 20 0 CDADMM CC[C@@H](C(=O)Nc1nc(CC(=O)[O-])cs1)N(C)C ZINC000828587612 602195219 /nfs/dbraw/zinc/19/52/19/602195219.db2.gz VIMQINPSDHDSEM-QMMMGPOBSA-N -1 1 271.342 1.049 20 0 CDADMM CCc1c[nH]c(SCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000825694166 607551492 /nfs/dbraw/zinc/55/14/92/607551492.db2.gz MJOZQJRBBLSCMI-UHFFFAOYSA-N -1 1 287.352 1.840 20 0 CDADMM Cc1cc(=O)[n-]c(C[NH2+][C@@H](C(=O)[O-])C(C)(C)C)n1 ZINC000832898837 602316469 /nfs/dbraw/zinc/31/64/69/602316469.db2.gz DPHHUXPGOZMKJA-JTQLQIEISA-N -1 1 253.302 1.080 20 0 CDADMM C[C@@H](CO)Sc1snc(Cl)c1-c1nnn[n-]1 ZINC000824440647 608187019 /nfs/dbraw/zinc/18/70/19/608187019.db2.gz HTQXKRQPXPXXRV-VKHMYHEASA-N -1 1 277.762 1.450 20 0 CDADMM C[C@@H](CO)Sc1snc(Cl)c1-c1nn[n-]n1 ZINC000824440647 608187021 /nfs/dbraw/zinc/18/70/21/608187021.db2.gz HTQXKRQPXPXXRV-VKHMYHEASA-N -1 1 277.762 1.450 20 0 CDADMM CC[C@]1(C)CC(=O)N(CN(C[C@@H](C)C(=O)[O-])C2CC2)C1=O ZINC000833646871 604507836 /nfs/dbraw/zinc/50/78/36/604507836.db2.gz VBLJVFFTYSVSTI-MEBBXXQBSA-N -1 1 296.367 1.304 20 0 CDADMM C[C@@H](CN(CN1CC(C)(C)OC1=O)C1CC1)C(=O)[O-] ZINC000833516787 604546604 /nfs/dbraw/zinc/54/66/04/604546604.db2.gz WVZLONDSINMOPW-VIFPVBQESA-N -1 1 270.329 1.360 20 0 CDADMM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cccc2n[nH]cc21 ZINC000829973041 604717799 /nfs/dbraw/zinc/71/77/99/604717799.db2.gz QDSBHIXJKAJTQL-GFCCVEGCSA-N -1 1 291.307 1.125 20 0 CDADMM CCCOC(=O)[C@@H](C)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000829519256 604746394 /nfs/dbraw/zinc/74/63/94/604746394.db2.gz AJUOAXGBNNIDRU-VHSXEESVSA-N -1 1 257.330 1.513 20 0 CDADMM CC(C)C[C@@H](NC(=O)CN1CCC2(CC2)CC1)C(=O)[O-] ZINC000833479243 604930999 /nfs/dbraw/zinc/93/09/99/604930999.db2.gz XSAMKEBIAJNSEW-GFCCVEGCSA-N -1 1 282.384 1.478 20 0 CDADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](N2CCCC2=O)C1 ZINC000833547936 605056272 /nfs/dbraw/zinc/05/62/72/605056272.db2.gz ZANRXJNXWZOZDU-QWRGUYRKSA-N -1 1 292.335 1.736 20 0 CDADMM C[C@@H]1[C@H](C)N(CCC(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000833584656 605195700 /nfs/dbraw/zinc/19/57/00/605195700.db2.gz SRDKVNLRSZAADX-WDEREUQCSA-N -1 1 286.372 1.791 20 0 CDADMM C[C@H]1CN(C(=O)CC2=CCCCC2)CCN1CCC(=O)[O-] ZINC000833618208 605254130 /nfs/dbraw/zinc/25/41/30/605254130.db2.gz LVPQVFHMGRRLQI-ZDUSSCGKSA-N -1 1 294.395 1.884 20 0 CDADMM CC(C)(C)OC(=O)CCCCN1CCO[C@H](C(=O)[O-])C1 ZINC000819915321 605371516 /nfs/dbraw/zinc/37/15/16/605371516.db2.gz ZFMBOKKSPVKQGI-NSHDSACASA-N -1 1 287.356 1.284 20 0 CDADMM C[C@H](O)[C@@H]1CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000833527743 605698278 /nfs/dbraw/zinc/69/82/78/605698278.db2.gz LPZDGDAJZZKWKE-CMPLNLGQSA-N -1 1 292.335 1.026 20 0 CDADMM C[C@H]1CN(C(=O)c2cccc(O)c2)CCN1CCC(=O)[O-] ZINC000833623412 605766515 /nfs/dbraw/zinc/76/65/15/605766515.db2.gz QAZBKIHTXNITTD-NSHDSACASA-N -1 1 292.335 1.013 20 0 CDADMM CN(CC(C)(C)C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821593734 606168105 /nfs/dbraw/zinc/16/81/05/606168105.db2.gz HNDWECZNTLFCEC-UHFFFAOYSA-N -1 1 292.347 1.110 20 0 CDADMM CN(CC(C)(C)C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821593734 606168107 /nfs/dbraw/zinc/16/81/07/606168107.db2.gz HNDWECZNTLFCEC-UHFFFAOYSA-N -1 1 292.347 1.110 20 0 CDADMM CCOCCCCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821378881 606180661 /nfs/dbraw/zinc/18/06/61/606180661.db2.gz VWAJRQGXLBHKCO-UHFFFAOYSA-N -1 1 296.352 1.902 20 0 CDADMM CCOCCCCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821378881 606180662 /nfs/dbraw/zinc/18/06/62/606180662.db2.gz VWAJRQGXLBHKCO-UHFFFAOYSA-N -1 1 296.352 1.902 20 0 CDADMM C[C@H](OC(=O)c1sccc1-c1nn[n-]n1)[C@H]1CCOC1 ZINC000820518797 606182183 /nfs/dbraw/zinc/18/21/83/606182183.db2.gz KYWUJRRNRXJNTO-YUMQZZPRSA-N -1 1 294.336 1.510 20 0 CDADMM Cc1nsc(N(C)C(=O)[C@H]2C[C@H]2C)c1-c1nnn[n-]1 ZINC000822530558 606237083 /nfs/dbraw/zinc/23/70/83/606237083.db2.gz HGRCEEQUZXOGFK-VDTYLAMSSA-N -1 1 278.341 1.250 20 0 CDADMM Cc1nsc(N(C)C(=O)[C@H]2C[C@H]2C)c1-c1nn[n-]n1 ZINC000822530558 606237084 /nfs/dbraw/zinc/23/70/84/606237084.db2.gz HGRCEEQUZXOGFK-VDTYLAMSSA-N -1 1 278.341 1.250 20 0 CDADMM C[C@]1(CNc2cccc(-c3nnn[n-]3)n2)CCCC[C@@H]1O ZINC000820623165 606242886 /nfs/dbraw/zinc/24/28/86/606242886.db2.gz GXJSQQOOVMJVOY-SMDDNHRTSA-N -1 1 288.355 1.615 20 0 CDADMM C[C@]1(CNc2cccc(-c3nn[n-]n3)n2)CCCC[C@@H]1O ZINC000820623165 606242887 /nfs/dbraw/zinc/24/28/87/606242887.db2.gz GXJSQQOOVMJVOY-SMDDNHRTSA-N -1 1 288.355 1.615 20 0 CDADMM C[C@@H]1CCCN1c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820715716 606417098 /nfs/dbraw/zinc/41/70/98/606417098.db2.gz DOOWDALCKPLLOO-SECBINFHSA-N -1 1 281.323 1.799 20 0 CDADMM C[C@@H]1CCCN1c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820715716 606417100 /nfs/dbraw/zinc/41/71/00/606417100.db2.gz DOOWDALCKPLLOO-SECBINFHSA-N -1 1 281.323 1.799 20 0 CDADMM CO[C@@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821697837 606426367 /nfs/dbraw/zinc/42/63/67/606426367.db2.gz SZTRGLXZDGGHOD-SSDOTTSWSA-N -1 1 280.719 1.140 20 0 CDADMM CO[C@@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821697837 606426369 /nfs/dbraw/zinc/42/63/69/606426369.db2.gz SZTRGLXZDGGHOD-SSDOTTSWSA-N -1 1 280.719 1.140 20 0 CDADMM CCC[C@H]1C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821033452 606444065 /nfs/dbraw/zinc/44/40/65/606444065.db2.gz BGAGUDGTFIMMHH-KWQFWETISA-N -1 1 272.312 1.180 20 0 CDADMM CCC[C@H]1C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821033452 606444066 /nfs/dbraw/zinc/44/40/66/606444066.db2.gz BGAGUDGTFIMMHH-KWQFWETISA-N -1 1 272.312 1.180 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCCCC1 ZINC000823482950 606486677 /nfs/dbraw/zinc/48/66/77/606486677.db2.gz CYFHWKSDQRDSEM-UHFFFAOYSA-N -1 1 277.353 1.944 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCCCC1 ZINC000823482950 606486678 /nfs/dbraw/zinc/48/66/78/606486678.db2.gz CYFHWKSDQRDSEM-UHFFFAOYSA-N -1 1 277.353 1.944 20 0 CDADMM CCC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821014287 606488839 /nfs/dbraw/zinc/48/88/39/606488839.db2.gz DDNRBMHCLQLNGI-ZETCQYMHSA-N -1 1 265.342 1.847 20 0 CDADMM CCC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821014287 606488841 /nfs/dbraw/zinc/48/88/41/606488841.db2.gz DDNRBMHCLQLNGI-ZETCQYMHSA-N -1 1 265.342 1.847 20 0 CDADMM O=C(CCC1CCCCC1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000822950367 606530744 /nfs/dbraw/zinc/53/07/44/606530744.db2.gz LILIUMXICJBGTD-UHFFFAOYSA-N -1 1 289.343 1.889 20 0 CDADMM O=C(CCC1CCCCC1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000822950367 606530746 /nfs/dbraw/zinc/53/07/46/606530746.db2.gz LILIUMXICJBGTD-UHFFFAOYSA-N -1 1 289.343 1.889 20 0 CDADMM CCCCOCC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821072066 607105900 /nfs/dbraw/zinc/10/59/00/607105900.db2.gz QNZVYMGWGLUVAE-UHFFFAOYSA-N -1 1 282.329 1.078 20 0 CDADMM CCCCOCC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821072066 607105901 /nfs/dbraw/zinc/10/59/01/607105901.db2.gz QNZVYMGWGLUVAE-UHFFFAOYSA-N -1 1 282.329 1.078 20 0 CDADMM Cc1cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)oc1C ZINC000822183635 607239123 /nfs/dbraw/zinc/23/91/23/607239123.db2.gz JBDXUUPPAKKMCU-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)oc1C ZINC000822183635 607239124 /nfs/dbraw/zinc/23/91/24/607239124.db2.gz JBDXUUPPAKKMCU-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM CC[C@@H](C)OCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825075529 607780763 /nfs/dbraw/zinc/78/07/63/607780763.db2.gz PEHGPVRDYMNJBZ-MRVPVSSYSA-N -1 1 291.311 1.326 20 0 CDADMM Cn1ccnc1COc1cccc(F)c1-c1nnn[n-]1 ZINC000095336149 607865512 /nfs/dbraw/zinc/86/55/12/607865512.db2.gz ITLAPLXKHWLYEI-UHFFFAOYSA-N -1 1 274.259 1.318 20 0 CDADMM Cn1ccnc1COc1cccc(F)c1-c1nn[n-]n1 ZINC000095336149 607865513 /nfs/dbraw/zinc/86/55/13/607865513.db2.gz ITLAPLXKHWLYEI-UHFFFAOYSA-N -1 1 274.259 1.318 20 0 CDADMM O[C@@H]1Cc2ccccc2[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000826507326 607898426 /nfs/dbraw/zinc/89/84/26/607898426.db2.gz MQZMJCHNBDBIHO-OCCSQVGLSA-N -1 1 294.318 1.332 20 0 CDADMM O[C@@H]1Cc2ccccc2[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000826507326 607898427 /nfs/dbraw/zinc/89/84/27/607898427.db2.gz MQZMJCHNBDBIHO-OCCSQVGLSA-N -1 1 294.318 1.332 20 0 CDADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)[C@H]1CCOC1 ZINC000824663405 607900632 /nfs/dbraw/zinc/90/06/32/607900632.db2.gz ZCTYQDPBKCGRHZ-BDAKNGLRSA-N -1 1 260.301 1.099 20 0 CDADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)[C@H]1CCOC1 ZINC000824663405 607900633 /nfs/dbraw/zinc/90/06/33/607900633.db2.gz ZCTYQDPBKCGRHZ-BDAKNGLRSA-N -1 1 260.301 1.099 20 0 CDADMM COC[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccco1 ZINC000826151590 607901786 /nfs/dbraw/zinc/90/17/86/607901786.db2.gz FLDRMPRKNWRRCI-JTQLQIEISA-N -1 1 286.295 1.654 20 0 CDADMM COC[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccco1 ZINC000826151590 607901787 /nfs/dbraw/zinc/90/17/87/607901787.db2.gz FLDRMPRKNWRRCI-JTQLQIEISA-N -1 1 286.295 1.654 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCC23CCC(CC2)C3)n1 ZINC000826525096 607935450 /nfs/dbraw/zinc/93/54/50/607935450.db2.gz WAHYPFIETRKAQH-UHFFFAOYSA-N -1 1 271.328 1.649 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCC23CCC(CC2)C3)n1 ZINC000826525096 607935451 /nfs/dbraw/zinc/93/54/51/607935451.db2.gz WAHYPFIETRKAQH-UHFFFAOYSA-N -1 1 271.328 1.649 20 0 CDADMM C[C@@H]1CC[C@@H](COC(=O)c2ccc(-c3nnn[n-]3)s2)O1 ZINC000824909837 608076262 /nfs/dbraw/zinc/07/62/62/608076262.db2.gz VHIGVOGNQHQGLT-SFYZADRCSA-N -1 1 294.336 1.653 20 0 CDADMM C[C@@H]1CC[C@@H](COC(=O)c2ccc(-c3nn[n-]n3)s2)O1 ZINC000824909837 608076263 /nfs/dbraw/zinc/07/62/63/608076263.db2.gz VHIGVOGNQHQGLT-SFYZADRCSA-N -1 1 294.336 1.653 20 0 CDADMM CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825191383 608245852 /nfs/dbraw/zinc/24/58/52/608245852.db2.gz BAECGMFXVMDCHQ-ONGXEEELSA-N -1 1 286.339 1.665 20 0 CDADMM CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825191383 608245854 /nfs/dbraw/zinc/24/58/54/608245854.db2.gz BAECGMFXVMDCHQ-ONGXEEELSA-N -1 1 286.339 1.665 20 0 CDADMM CC(=O)C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823967272 608381743 /nfs/dbraw/zinc/38/17/43/608381743.db2.gz KXNPRTBIRJUJTG-LURJTMIESA-N -1 1 279.325 1.026 20 0 CDADMM CC(=O)C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823967272 608381745 /nfs/dbraw/zinc/38/17/45/608381745.db2.gz KXNPRTBIRJUJTG-LURJTMIESA-N -1 1 279.325 1.026 20 0 CDADMM CCCC(O)(CCC)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000825247729 608421811 /nfs/dbraw/zinc/42/18/11/608421811.db2.gz GYRDPXSKAXTARR-UHFFFAOYSA-N -1 1 291.359 1.400 20 0 CDADMM CCCC(O)(CCC)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000825247729 608421814 /nfs/dbraw/zinc/42/18/14/608421814.db2.gz GYRDPXSKAXTARR-UHFFFAOYSA-N -1 1 291.359 1.400 20 0 CDADMM O=C(O[C@H]1C=CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826462459 609159023 /nfs/dbraw/zinc/15/90/23/609159023.db2.gz YVFDIGKTHSLSKL-VIFPVBQESA-N -1 1 257.253 1.137 20 0 CDADMM O=C(O[C@H]1C=CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826462459 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Cc1nc(SC[C@@](C)(O)C(F)F)[n-]c(=O)c1C ZINC000917419247 632211434 /nfs/dbraw/zinc/21/14/34/632211434.db2.gz MRQKUOXTOUFTDN-SNVBAGLBSA-N -1 1 264.297 1.907 20 0 CDADMM O=c1[n-]c2nc(=O)[nH]c(Nc3ccc4c(c3)COC4=O)c2[nH]1 ZINC001170215914 1162301967 /nfs/dbraw/zinc/30/19/67/1162301967.db2.gz CSAQTUCDWBFDCC-UHFFFAOYSA-N -1 1 299.246 1.130 20 0 CDADMM Cc1ccc(N)cc1Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001170218312 1162302790 /nfs/dbraw/zinc/30/27/90/1162302790.db2.gz UQFXEMNXSMFWLU-UHFFFAOYSA-N -1 1 272.268 1.350 20 0 CDADMM CCCc1cc(Nc2[n-]c(=O)nc3nc[nH]c32)ncn1 ZINC001170227211 1162316439 /nfs/dbraw/zinc/31/64/39/1162316439.db2.gz GYFYKSNPNVMMSD-UHFFFAOYSA-N -1 1 271.284 1.545 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2ccc(C3CCC3)nn2)[n-]1 ZINC001170227196 1162316607 /nfs/dbraw/zinc/31/66/07/1162316607.db2.gz ZZFPCDYNCBNCKF-UHFFFAOYSA-N -1 1 283.295 1.860 20 0 CDADMM NC(=O)c1ccc(-c2cc(F)cc(F)c2[O-])cn1 ZINC001243502359 1162388176 /nfs/dbraw/zinc/38/81/76/1162388176.db2.gz KSODEZFGUCMAKN-UHFFFAOYSA-N -1 1 250.204 1.831 20 0 CDADMM O=C(OCc1cccc(F)c1Cl)c1cn[n-]n1 ZINC000805607206 1162585514 /nfs/dbraw/zinc/58/55/14/1162585514.db2.gz TYYMOTSHKLWLTE-UHFFFAOYSA-N -1 1 255.636 1.954 20 0 CDADMM CC(C)c1cccc(NC(=O)COC(=O)c2cn[n-]n2)c1 ZINC000805607380 1162585006 /nfs/dbraw/zinc/58/50/06/1162585006.db2.gz VTDAYLXOOVCCQN-UHFFFAOYSA-N -1 1 288.307 1.724 20 0 CDADMM CC(C)CCC[C@@H](C)NC(=O)COC(=O)c1cn[n-]n1 ZINC000805604903 1162585481 /nfs/dbraw/zinc/58/54/81/1162585481.db2.gz CFGRVKPLTOHRPH-SNVBAGLBSA-N -1 1 282.344 1.293 20 0 CDADMM CC(=O)[C@@H](Cc1ccccc1F)OC(=O)c1cn[n-]n1 ZINC000805605682 1162586168 /nfs/dbraw/zinc/58/61/68/1162586168.db2.gz MGNWSEORSQZHKK-GFCCVEGCSA-N -1 1 277.255 1.301 20 0 CDADMM C[C@@H](OC(=O)c1cn[n-]n1)c1nccn1-c1ccccc1 ZINC000805607118 1162586454 /nfs/dbraw/zinc/58/64/54/1162586454.db2.gz HCLKNQPUBFLMAK-SNVBAGLBSA-N -1 1 283.291 1.908 20 0 CDADMM Cc1ccc(C)c(OCCOC(=O)c2cn[n-]n2)c1 ZINC000805607204 1162586674 /nfs/dbraw/zinc/58/66/74/1162586674.db2.gz TVLUHZXJBZPSTF-UHFFFAOYSA-N -1 1 261.281 1.657 20 0 CDADMM COc1cccc2c(C(=O)OC[C@@H](C)O)[nH]nc21 ZINC000808675805 1162894790 /nfs/dbraw/zinc/89/47/90/1162894790.db2.gz TVIAMFMACPXWJH-SSDOTTSWSA-N -1 1 250.254 1.109 20 0 CDADMM C[C@H](CN(C)[C@@H](C(=O)OC(C)(C)C)C1CC1)C(=O)[O-] ZINC001604158168 1163110697 /nfs/dbraw/zinc/11/06/97/1163110697.db2.gz HRFJZMZZIFBYGC-MWLCHTKSSA-N -1 1 271.357 1.759 20 0 CDADMM C[C@H](CCO)[N@@H+](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001604148949 1163107462 /nfs/dbraw/zinc/10/74/62/1163107462.db2.gz WXAFAGDAGXTDPU-SNVBAGLBSA-N -1 1 280.324 1.026 20 0 CDADMM C[C@H](CCO)N(C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001604148949 1163107465 /nfs/dbraw/zinc/10/74/65/1163107465.db2.gz WXAFAGDAGXTDPU-SNVBAGLBSA-N -1 1 280.324 1.026 20 0 CDADMM C[C@H](CN(C(=O)c1ccc(CN)o1)C1CC1)C(=O)[O-] ZINC001604152533 1163109829 /nfs/dbraw/zinc/10/98/29/1163109829.db2.gz JFOJVGGINFYBAR-MRVPVSSYSA-N -1 1 266.297 1.064 20 0 CDADMM C[C@H](N[C@H]1C[C@H](O)C12CCC2)c1ncc(C(=O)[O-])s1 ZINC001604328793 1163152208 /nfs/dbraw/zinc/15/22/08/1163152208.db2.gz GPMKJCKDWLAGLM-HGNGGELXSA-N -1 1 282.365 1.795 20 0 CDADMM C[C@@H](N[C@H](C)c1ccccc1OCC(=O)[O-])C(=O)N(C)C ZINC001604358221 1163163395 /nfs/dbraw/zinc/16/33/95/1163163395.db2.gz WDFWBYIWVUGBIX-GHMZBOCLSA-N -1 1 294.351 1.277 20 0 CDADMM CCOC(=O)C[C@@H](C)CNc1cccnc1-c1nnn[n-]1 ZINC001604370484 1163167019 /nfs/dbraw/zinc/16/70/19/1163167019.db2.gz AENYVYPZPDVYKB-SECBINFHSA-N -1 1 290.327 1.263 20 0 CDADMM CCOC(=O)C[C@@H](C)CNc1cccnc1-c1nn[n-]n1 ZINC001604370484 1163167026 /nfs/dbraw/zinc/16/70/26/1163167026.db2.gz AENYVYPZPDVYKB-SECBINFHSA-N -1 1 290.327 1.263 20 0 CDADMM Cn1[n-]cc2c(=NC(=O)NCc3ccncc3)ccnc1-2 ZINC000791089619 1162191048 /nfs/dbraw/zinc/19/10/48/1162191048.db2.gz NDXKDPQXVBDDIC-UHFFFAOYSA-N -1 1 282.307 1.059 20 0 CDADMM Cn1[n-]cc2c(=NC(=O)COc3ccccc3)ccnc1-2 ZINC000791168042 1162198967 /nfs/dbraw/zinc/19/89/67/1162198967.db2.gz VDIYZJNNLUNJRF-UHFFFAOYSA-N -1 1 282.303 1.359 20 0 CDADMM Cc1cccc(-n2cc([O-])c(C(=O)OC[C@@H](C)O)n2)c1C ZINC000792293989 1162270702 /nfs/dbraw/zinc/27/07/02/1162270702.db2.gz IUNPIRLDJSMHAP-SNVBAGLBSA-N -1 1 290.319 1.732 20 0 CDADMM CCOc1ccc(CNc2n[nH]cc2-c2nnn[n-]2)o1 ZINC001604459724 1163191394 /nfs/dbraw/zinc/19/13/94/1163191394.db2.gz DTNBXUKUNRDZOJ-UHFFFAOYSA-N -1 1 275.272 1.194 20 0 CDADMM CCOc1ccc(CNc2n[nH]cc2-c2nn[n-]n2)o1 ZINC001604459724 1163191400 /nfs/dbraw/zinc/19/14/00/1163191400.db2.gz DTNBXUKUNRDZOJ-UHFFFAOYSA-N -1 1 275.272 1.194 20 0 CDADMM CCc1nc(N[C@@H]2CCC[C@@H](F)C2)cc(-c2nnn[n-]2)n1 ZINC001604559485 1163230359 /nfs/dbraw/zinc/23/03/59/1163230359.db2.gz QWJDVSNUPNMEKR-RKDXNWHRSA-N -1 1 291.334 1.912 20 0 CDADMM CCc1nc(N[C@@H]2CCC[C@@H](F)C2)cc(-c2nn[n-]n2)n1 ZINC001604559485 1163230367 /nfs/dbraw/zinc/23/03/67/1163230367.db2.gz QWJDVSNUPNMEKR-RKDXNWHRSA-N -1 1 291.334 1.912 20 0 CDADMM CCc1noc(C)c1COc1cnc(-c2nn[n-]n2)nc1 ZINC001604586502 1163239175 /nfs/dbraw/zinc/23/91/75/1163239175.db2.gz MRBZETTZHMDMJN-UHFFFAOYSA-N -1 1 287.283 1.095 20 0 CDADMM CN(C(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccccc1F ZINC001604660247 1163271683 /nfs/dbraw/zinc/27/16/83/1163271683.db2.gz KEBODWHHAFKXOV-UHFFFAOYSA-N -1 1 298.281 1.677 20 0 CDADMM CN(C(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccccc1F ZINC001604660247 1163271690 /nfs/dbraw/zinc/27/16/90/1163271690.db2.gz KEBODWHHAFKXOV-UHFFFAOYSA-N -1 1 298.281 1.677 20 0 CDADMM CN(C)c1cccc(CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001604702179 1163290688 /nfs/dbraw/zinc/29/06/88/1163290688.db2.gz JXCKKUPPBAMVQF-UHFFFAOYSA-N -1 1 296.338 1.335 20 0 CDADMM CN(C)c1cccc(CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001604702179 1163290691 /nfs/dbraw/zinc/29/06/91/1163290691.db2.gz JXCKKUPPBAMVQF-UHFFFAOYSA-N -1 1 296.338 1.335 20 0 CDADMM CO[C@H]1CCC[C@@H]1CNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001605029325 1163423679 /nfs/dbraw/zinc/42/36/79/1163423679.db2.gz CGACOMWBMMBSIX-KOLCDFICSA-N -1 1 289.343 1.192 20 0 CDADMM CO[C@H]1CCC[C@@H]1CNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001605029325 1163423681 /nfs/dbraw/zinc/42/36/81/1163423681.db2.gz CGACOMWBMMBSIX-KOLCDFICSA-N -1 1 289.343 1.192 20 0 CDADMM COCC1(CCNc2ccc(C)c(-c3nnn[n-]3)n2)CC1 ZINC001605066137 1163437890 /nfs/dbraw/zinc/43/78/90/1163437890.db2.gz HNVZJYHXJBNKFF-UHFFFAOYSA-N -1 1 288.355 1.799 20 0 CDADMM COCC1(CCNc2ccc(C)c(-c3nn[n-]n3)n2)CC1 ZINC001605066137 1163437892 /nfs/dbraw/zinc/43/78/92/1163437892.db2.gz HNVZJYHXJBNKFF-UHFFFAOYSA-N -1 1 288.355 1.799 20 0 CDADMM CC[C@]1(C)CCCN([C@@H](CCC(=O)[O-])C(=O)OC)C1 ZINC001605135722 1163463880 /nfs/dbraw/zinc/46/38/80/1163463880.db2.gz QVCVZDZSNNYQJV-SMDDNHRTSA-N -1 1 271.357 1.905 20 0 CDADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@@H](O)c1ccccc1 ZINC000811532644 1163494052 /nfs/dbraw/zinc/49/40/52/1163494052.db2.gz GNWFDBBGXVRWEK-QMTHXVAHSA-N -1 1 272.304 1.639 20 0 CDADMM COc1cccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)c1C ZINC001605313408 1163520835 /nfs/dbraw/zinc/52/08/35/1163520835.db2.gz UECNOEMFWPWIPQ-UHFFFAOYSA-N -1 1 299.294 1.159 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(Nc2cccc(CO)c2)n1 ZINC001605584628 1163616051 /nfs/dbraw/zinc/61/60/51/1163616051.db2.gz YFDDRDPNTZNWST-UHFFFAOYSA-N -1 1 283.295 1.201 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(Nc2cccc(CO)c2)n1 ZINC001605584628 1163616056 /nfs/dbraw/zinc/61/60/56/1163616056.db2.gz YFDDRDPNTZNWST-UHFFFAOYSA-N -1 1 283.295 1.201 20 0 CDADMM CCOc1ccccc1[C@@H](N)CC(=O)N(CC)CC(=O)[O-] ZINC001605714910 1163648280 /nfs/dbraw/zinc/64/82/80/1163648280.db2.gz CIUXEBCMMUYBQV-LBPRGKRZSA-N -1 1 294.351 1.408 20 0 CDADMM Cc1c(CNc2nc(-c3nn[n-]n3)ccc2C)cnn1C ZINC001605805589 1163677737 /nfs/dbraw/zinc/67/77/37/1163677737.db2.gz YIPSMOJBOCMIJF-UHFFFAOYSA-N -1 1 284.327 1.224 20 0 CDADMM Cc1ccc(CC(=O)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001605838332 1163684210 /nfs/dbraw/zinc/68/42/10/1163684210.db2.gz DIVDYQJAESHYFL-UHFFFAOYSA-N -1 1 294.318 1.751 20 0 CDADMM Cc1ccc(CC(=O)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001605838332 1163684213 /nfs/dbraw/zinc/68/42/13/1163684213.db2.gz DIVDYQJAESHYFL-UHFFFAOYSA-N -1 1 294.318 1.751 20 0 CDADMM Cc1ccc(CCNC(=O)c2coc(-c3nnn[n-]3)c2)nc1 ZINC001605843355 1163684710 /nfs/dbraw/zinc/68/47/10/1163684710.db2.gz BWDXZMUWVSISGW-UHFFFAOYSA-N -1 1 298.306 1.136 20 0 CDADMM Cc1ccc(CCNC(=O)c2coc(-c3nn[n-]n3)c2)nc1 ZINC001605843355 1163684717 /nfs/dbraw/zinc/68/47/17/1163684717.db2.gz BWDXZMUWVSISGW-UHFFFAOYSA-N -1 1 298.306 1.136 20 0 CDADMM Cc1ccc(CCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)o1 ZINC001605843877 1163686286 /nfs/dbraw/zinc/68/62/86/1163686286.db2.gz RCYMDMQYILGEHH-UHFFFAOYSA-N -1 1 287.283 1.063 20 0 CDADMM Cc1ccc(CCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)o1 ZINC001605843877 1163686288 /nfs/dbraw/zinc/68/62/88/1163686288.db2.gz RCYMDMQYILGEHH-UHFFFAOYSA-N -1 1 287.283 1.063 20 0 CDADMM Cc1cnc(NC(=O)c2csc(-c3nn[n-]n3)c2)nc1 ZINC001605980559 1163734784 /nfs/dbraw/zinc/73/47/84/1163734784.db2.gz HZJKFQOHYBEGJY-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM CN(C)C(=O)OC1CCN(Cc2c[nH]c(C(=O)[O-])c2)CC1 ZINC001606002231 1163740435 /nfs/dbraw/zinc/74/04/35/1163740435.db2.gz BVWHGXLRKVDGLM-UHFFFAOYSA-N -1 1 295.339 1.376 20 0 CDADMM Cc1[nH]nc(NCc2cnn(C3CCC3)c2)c1-c1nnn[n-]1 ZINC001606013548 1163744113 /nfs/dbraw/zinc/74/41/13/1163744113.db2.gz AZFDTWCNKFQKBF-UHFFFAOYSA-N -1 1 299.342 1.432 20 0 CDADMM Cc1[nH]nc(NCc2cnn(C3CCC3)c2)c1-c1nn[n-]n1 ZINC001606013548 1163744119 /nfs/dbraw/zinc/74/41/19/1163744119.db2.gz AZFDTWCNKFQKBF-UHFFFAOYSA-N -1 1 299.342 1.432 20 0 CDADMM Cc1nn(C)cc1CSc1cccnc1-c1nnn[n-]1 ZINC001606114937 1163775912 /nfs/dbraw/zinc/77/59/12/1163775912.db2.gz BLOJVUMVJIKTCV-UHFFFAOYSA-N -1 1 287.352 1.596 20 0 CDADMM Cc1nn(C)cc1CSc1cccnc1-c1nn[n-]n1 ZINC001606114937 1163775916 /nfs/dbraw/zinc/77/59/16/1163775916.db2.gz BLOJVUMVJIKTCV-UHFFFAOYSA-N -1 1 287.352 1.596 20 0 CDADMM CN(Cc1cccc(N)c1)Cc1ccc(C(=O)[O-])cn1 ZINC001606164750 1163793796 /nfs/dbraw/zinc/79/37/96/1163793796.db2.gz IWCBGUXKRSONIV-UHFFFAOYSA-N -1 1 271.320 1.994 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc([C@@H]2C[C@H]2C)no1 ZINC001606164886 1163793959 /nfs/dbraw/zinc/79/39/59/1163793959.db2.gz IDDODNJEANEBBC-IYSWYEEDSA-N -1 1 272.268 1.942 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc([C@@H]2C[C@H]2C)no1 ZINC001606164886 1163793965 /nfs/dbraw/zinc/79/39/65/1163793965.db2.gz IDDODNJEANEBBC-IYSWYEEDSA-N -1 1 272.268 1.942 20 0 CDADMM Clc1sc(N2CCCCO2)nc1-c1nn[n-]n1 ZINC001606201141 1163798509 /nfs/dbraw/zinc/79/85/09/1163798509.db2.gz VPOWCZVKAVHXCV-UHFFFAOYSA-N -1 1 272.721 1.508 20 0 CDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CCCC23CC3)n1 ZINC001606221395 1163819328 /nfs/dbraw/zinc/81/93/28/1163819328.db2.gz FBOAROOYCYFZKH-VIFPVBQESA-N -1 1 287.327 1.119 20 0 CDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CCCC23CC3)n1 ZINC001606221395 1163819333 /nfs/dbraw/zinc/81/93/33/1163819333.db2.gz FBOAROOYCYFZKH-VIFPVBQESA-N -1 1 287.327 1.119 20 0 CDADMM F[C@H]1CCC[C@H](Nc2cccnc2-c2nnn[n-]2)C1 ZINC001606299926 1163846109 /nfs/dbraw/zinc/84/61/09/1163846109.db2.gz MIGJURDKUWNKRR-IUCAKERBSA-N -1 1 262.292 1.954 20 0 CDADMM F[C@H]1CCC[C@H](Nc2cccnc2-c2nn[n-]n2)C1 ZINC001606299926 1163846113 /nfs/dbraw/zinc/84/61/13/1163846113.db2.gz MIGJURDKUWNKRR-IUCAKERBSA-N -1 1 262.292 1.954 20 0 CDADMM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1CCC=C(C)C ZINC001606370897 1163878918 /nfs/dbraw/zinc/87/89/18/1163878918.db2.gz AXMTUPAIZCQGRD-VXGBXAGGSA-N -1 1 269.341 1.681 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCCC2(CC2)C1 ZINC001606594810 1163933937 /nfs/dbraw/zinc/93/39/37/1163933937.db2.gz NDOXGCFQEGPGSK-UHFFFAOYSA-N -1 1 298.350 1.207 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCCC2(CC2)C1 ZINC001606594810 1163933945 /nfs/dbraw/zinc/93/39/45/1163933945.db2.gz NDOXGCFQEGPGSK-UHFFFAOYSA-N -1 1 298.350 1.207 20 0 CDADMM O=C(NCC(F)(F)F)c1cccc(F)c1-c1nnn[n-]1 ZINC001606698977 1163963277 /nfs/dbraw/zinc/96/32/77/1163963277.db2.gz RQGHFVSXERFNON-UHFFFAOYSA-N -1 1 289.192 1.298 20 0 CDADMM O=C(NCC(F)(F)F)c1cccc(F)c1-c1nn[n-]n1 ZINC001606698977 1163963279 /nfs/dbraw/zinc/96/32/79/1163963279.db2.gz RQGHFVSXERFNON-UHFFFAOYSA-N -1 1 289.192 1.298 20 0 CDADMM O=C(NC[C@H]1C=CCC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606720344 1163970227 /nfs/dbraw/zinc/97/02/27/1163970227.db2.gz WOVNRMWNQQJEIG-VIFPVBQESA-N -1 1 285.311 1.349 20 0 CDADMM O=C(NC[C@H]1C=CCC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606720344 1163970231 /nfs/dbraw/zinc/97/02/31/1163970231.db2.gz WOVNRMWNQQJEIG-VIFPVBQESA-N -1 1 285.311 1.349 20 0 CDADMM COCCCOCCN(C)Cc1cc(C(=O)[O-])oc1C ZINC001606872911 1164022583 /nfs/dbraw/zinc/02/25/83/1164022583.db2.gz YZWUDQDYLALAJI-UHFFFAOYSA-N -1 1 285.340 1.771 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1CCCC12CC2 ZINC001606933069 1164032009 /nfs/dbraw/zinc/03/20/09/1164032009.db2.gz FQOWGJBXAYUWJZ-VIFPVBQESA-N -1 1 284.323 1.781 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1CCCC12CC2 ZINC001606933069 1164032014 /nfs/dbraw/zinc/03/20/14/1164032014.db2.gz FQOWGJBXAYUWJZ-VIFPVBQESA-N -1 1 284.323 1.781 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001606932865 1164032072 /nfs/dbraw/zinc/03/20/72/1164032072.db2.gz BRMVEOIJXXXSFV-AYMMMOKOSA-N -1 1 285.311 1.182 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001606932865 1164032075 /nfs/dbraw/zinc/03/20/75/1164032075.db2.gz BRMVEOIJXXXSFV-AYMMMOKOSA-N -1 1 285.311 1.182 20 0 CDADMM OCCC1(CNc2cc(-c3nnn[n-]3)ncn2)CCCC1 ZINC001607105638 1164085731 /nfs/dbraw/zinc/08/57/31/1164085731.db2.gz KPVMHRNBBXOBOW-UHFFFAOYSA-N -1 1 289.343 1.011 20 0 CDADMM OCCC1(CNc2cc(-c3nn[n-]n3)ncn2)CCCC1 ZINC001607105638 1164085738 /nfs/dbraw/zinc/08/57/38/1164085738.db2.gz KPVMHRNBBXOBOW-UHFFFAOYSA-N -1 1 289.343 1.011 20 0 CDADMM OCC[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccco1 ZINC001607107253 1164087386 /nfs/dbraw/zinc/08/73/86/1164087386.db2.gz PUHMLMMAZMQTHD-SNVBAGLBSA-N -1 1 289.295 1.266 20 0 CDADMM OCC[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccco1 ZINC001607107253 1164087395 /nfs/dbraw/zinc/08/73/95/1164087395.db2.gz PUHMLMMAZMQTHD-SNVBAGLBSA-N -1 1 289.295 1.266 20 0 CDADMM c1cc(N2CC[C@H]3CC[C@@H](C2)S3)nnc1-c1nnn[n-]1 ZINC001607119857 1164103380 /nfs/dbraw/zinc/10/33/80/1164103380.db2.gz KBPDBHHCCFZZAG-BDAKNGLRSA-N 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/nfs/dbraw/zinc/13/62/86/1165136286.db2.gz ULBYZURQORXCFU-AWEZNQCLSA-N -1 1 288.307 1.250 20 0 CDADMM Cc1ccc(CN2CCC[C@@H]2C(=O)NCC(=O)[O-])c(C)c1 ZINC001610500559 1165331128 /nfs/dbraw/zinc/33/11/28/1165331128.db2.gz HOCXRMKYMZEGIK-CQSZACIVSA-N -1 1 290.363 1.469 20 0 CDADMM Cc1noc(C)c1CN(C)C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001610576536 1165363957 /nfs/dbraw/zinc/36/39/57/1165363957.db2.gz ALLFACMCSRGTHP-UWVGGRQHSA-N -1 1 274.267 1.689 20 0 CDADMM COC(=O)c1ccc(-n2[n-]c(C)c(F)c2=O)cc1F ZINC000871958448 1165365591 /nfs/dbraw/zinc/36/55/91/1165365591.db2.gz GCBGOFBPKDHXTA-JTQLQIEISA-N -1 1 268.219 1.673 20 0 CDADMM COc1cncc([N-]S(=O)(=O)C[C@H](OC)C(C)C)c1 ZINC000872005876 1165373118 /nfs/dbraw/zinc/37/31/18/1165373118.db2.gz AHYZYUSLHUCDLT-LBPRGKRZSA-N -1 1 288.369 1.503 20 0 CDADMM O=C([O-])CSCCC(=O)Nc1ccc(F)c(F)c1O ZINC001610789819 1165441718 /nfs/dbraw/zinc/44/17/18/1165441718.db2.gz FTIYQQGIIZZLQY-UHFFFAOYSA-N -1 1 291.275 1.817 20 0 CDADMM O=C([O-])[C@@H]1CC[C@H](c2nc([C@H]3CCCN3)no2)C1 ZINC001610801653 1165446964 /nfs/dbraw/zinc/44/69/64/1165446964.db2.gz BEQMHUWWHBAYNB-DJLDLDEBSA-N -1 1 251.286 1.462 20 0 CDADMM O=C([O-])c1ccc(CN2CCc3cc[nH]c(=O)c3C2)[nH]1 ZINC001610826146 1165454988 /nfs/dbraw/zinc/45/49/88/1165454988.db2.gz UAIIOCIJHGGILO-UHFFFAOYSA-N -1 1 273.292 1.372 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cncn1-c1ccc(F)cc1 ZINC001611373644 1165490932 /nfs/dbraw/zinc/49/09/32/1165490932.db2.gz DLACVZDYFSJOHV-UHFFFAOYSA-N -1 1 287.254 1.692 20 0 CDADMM O=C(Cc1ccc2c(c1)COC2)Nc1c[n-][nH]c1=O ZINC001611378991 1165491172 /nfs/dbraw/zinc/49/11/72/1165491172.db2.gz BHMXBRACRVSEJB-UHFFFAOYSA-N -1 1 259.265 1.327 20 0 CDADMM CCc1cc(CNC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])n[nH]1 ZINC000872931059 1165494210 /nfs/dbraw/zinc/49/42/10/1165494210.db2.gz VASGCQKEQVUIRN-RYUDHWBXSA-N -1 1 277.324 1.255 20 0 CDADMM Cc1oc(-c2ccccc2)nc1C(=O)N(C)c1nn[n-]n1 ZINC001617642284 1165603485 /nfs/dbraw/zinc/60/34/85/1165603485.db2.gz NCAWLLPYUWODDT-UHFFFAOYSA-N -1 1 284.279 1.440 20 0 CDADMM C[C@@]1(CNC(=O)c2ccc3n[n-]c(=S)n3c2)CCOC1 ZINC000825822208 1165767708 /nfs/dbraw/zinc/76/77/08/1165767708.db2.gz DVFZJGAVIFVAKA-ZDUSSCGKSA-N -1 1 292.364 1.174 20 0 CDADMM O=C(Nc1cc2ccccn2n1)c1cnc(C2CC2)[n-]c1=O ZINC001623852855 1165796789 /nfs/dbraw/zinc/79/67/89/1165796789.db2.gz KTRMCNYUBUVDSE-UHFFFAOYSA-N -1 1 295.302 1.960 20 0 CDADMM O=C(NCc1cccnc1-n1cccn1)c1ccc([O-])cn1 ZINC001626451937 1165939541 /nfs/dbraw/zinc/93/95/41/1165939541.db2.gz NRXQHLOCANNWLQ-UHFFFAOYSA-N -1 1 295.302 1.298 20 0 CDADMM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)OCc1nn[n-]n1 ZINC001649225521 1166136911 /nfs/dbraw/zinc/13/69/11/1166136911.db2.gz FTUUBWPDNQBYGL-IJLUTSLNSA-N -1 1 296.371 1.720 20 0 CDADMM Cc1ccc2[nH]c(C(=O)NCc3nc([O-])cc(=O)[nH]3)cc2c1 ZINC001634152771 1166475457 /nfs/dbraw/zinc/47/54/57/1166475457.db2.gz SCCMXVVCMYWXPU-UHFFFAOYSA-N -1 1 298.302 1.608 20 0 CDADMM Fc1ccccc1Sc1cnc(-c2nnn[n-]2)cn1 ZINC000095167259 1166604240 /nfs/dbraw/zinc/60/42/40/1166604240.db2.gz QLUYMQCTNJHEQT-UHFFFAOYSA-N -1 1 274.284 1.947 20 0 CDADMM Fc1ccccc1Sc1cnc(-c2nn[n-]n2)cn1 ZINC000095167259 1166604246 /nfs/dbraw/zinc/60/42/46/1166604246.db2.gz QLUYMQCTNJHEQT-UHFFFAOYSA-N -1 1 274.284 1.947 20 0 CDADMM O=C(Nc1nc2cc3c(cc2[nH]1)OCO3)c1ccc([O-])cn1 ZINC001637706160 1166780048 /nfs/dbraw/zinc/78/00/48/1166780048.db2.gz JOBIMXHPHLBFIR-UHFFFAOYSA-N -1 1 298.258 1.645 20 0 CDADMM CCn1ccc(CNC(=O)c2ccc([O-])cc2F)n1 ZINC001638093358 1166818537 /nfs/dbraw/zinc/81/85/37/1166818537.db2.gz XMKFDVQDZJRZNB-UHFFFAOYSA-N -1 1 263.272 1.678 20 0 CDADMM O=C(N[C@H]1CC12CCC2)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155273853 1167114518 /nfs/dbraw/zinc/11/45/18/1167114518.db2.gz ZMAOSUIIAHTFEN-NSHDSACASA-N -1 1 257.293 1.941 20 0 CDADMM C[C@@H](NC(=O)c1[n-][nH]c2cc(=O)ccc1-2)c1cnccn1 ZINC001155273860 1167114716 /nfs/dbraw/zinc/11/47/16/1167114716.db2.gz ZSYIOTUITIOPJB-MRVPVSSYSA-N -1 1 283.291 1.550 20 0 CDADMM Cc1nn(CC(=O)Nc2c(C)[n-][nH]c2=O)c2ncccc12 ZINC001641715654 1167132354 /nfs/dbraw/zinc/13/23/54/1167132354.db2.gz ILZNTVIAPDGRDN-UHFFFAOYSA-N -1 1 286.295 1.116 20 0 CDADMM COCc1cc(CN[C@H](CC(=O)[O-])C(C)(C)C)no1 ZINC001646500765 1167883389 /nfs/dbraw/zinc/88/33/89/1167883389.db2.gz RUKSOORYJVDWIX-LLVKDONJSA-N -1 1 270.329 1.800 20 0 CDADMM C[C@H](NC(=O)c1ccc([O-])cn1)c1nnc2ccccn21 ZINC001540735210 1167922098 /nfs/dbraw/zinc/92/20/98/1167922098.db2.gz LJRVMZUITBOVAT-VIFPVBQESA-N -1 1 283.291 1.321 20 0 CDADMM O=C(c1ccsc1C(F)F)N1CC[C@H](c2nn[n-]n2)C1 ZINC001646984871 1168324210 /nfs/dbraw/zinc/32/42/10/1168324210.db2.gz UTAQYPIFAFCVCX-LURJTMIESA-N -1 1 299.306 1.829 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc2c(cn1)OCCC2 ZINC001647298161 1168536012 /nfs/dbraw/zinc/53/60/12/1168536012.db2.gz YKLBBIXVELUQNV-UHFFFAOYSA-N -1 1 274.280 1.396 20 0 CDADMM CC(C)OC(=O)C(C)(C)NC(=O)c1c([O-])cccc1F ZINC001647467368 1168734275 /nfs/dbraw/zinc/73/42/75/1168734275.db2.gz DKYWHBLUHYUEGS-UHFFFAOYSA-N -1 1 283.299 1.991 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC001649901486 1169482157 /nfs/dbraw/zinc/48/21/57/1169482157.db2.gz NQKCVQSXEOPHIY-UHFFFAOYSA-N -1 1 275.268 1.049 20 0 CDADMM C[C@@H]1CN(C[C@]2(O)CCCC[C@H]2CC(=O)[O-])C[C@@H](C)C1=O ZINC001574105693 1170881451 /nfs/dbraw/zinc/88/14/51/1170881451.db2.gz WBXWJWLGZZAPJQ-NFFDBFGFSA-N -1 1 297.395 1.539 20 0 CDADMM Cc1c(NC(=O)c2c(O)cccc2F)[nH]nc1C(=O)[O-] ZINC001574118653 1170887187 /nfs/dbraw/zinc/88/71/87/1170887187.db2.gz JRFSFHLXVNMLGP-UHFFFAOYSA-N -1 1 279.227 1.513 20 0 CDADMM Cc1nocc1C[NH2+][C@@H](CC(C)C)c1nc(C(=O)[O-])n[n-]1 ZINC001574206615 1170917367 /nfs/dbraw/zinc/91/73/67/1170917367.db2.gz ULNVCZOIWCGSSF-JTQLQIEISA-N -1 1 293.327 1.676 20 0 CDADMM O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)c1[nH]nc2ccccc21 ZINC001574398590 1170970315 /nfs/dbraw/zinc/97/03/15/1170970315.db2.gz FREWGOBLHIUVNA-RWEMILLDSA-N -1 1 285.303 1.641 20 0 CDADMM O=C([O-])c1cc(CN2CC[C@@H]3[C@H](C2)C3(F)F)[nH]n1 ZINC001574407835 1170974616 /nfs/dbraw/zinc/97/46/16/1170974616.db2.gz CLYIUOPVSRRZMM-SFYZADRCSA-N -1 1 257.240 1.195 20 0 CDADMM Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1c[n-][nH]c1=O ZINC001651044126 1171281255 /nfs/dbraw/zinc/28/12/55/1171281255.db2.gz ASVUGHQAFJLNDL-LURJTMIESA-N -1 1 263.301 1.208 20 0 CDADMM Nc1ncc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)s1 ZINC001580471203 1172446580 /nfs/dbraw/zinc/44/65/80/1172446580.db2.gz FJYMEHQJEOTIJD-UHFFFAOYSA-N -1 1 278.219 1.115 20 0 CDADMM O=C(c1ccc2c(c1)CCCN2)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001580822573 1172550000 /nfs/dbraw/zinc/55/00/00/1172550000.db2.gz YGOZJQKZOIWYBA-GFCCVEGCSA-N -1 1 298.350 1.188 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC001581727484 1172619784 /nfs/dbraw/zinc/61/97/84/1172619784.db2.gz ZGXRXPHNKKXROJ-MIMYLULJSA-N -1 1 287.323 1.687 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC001581727484 1172619786 /nfs/dbraw/zinc/61/97/86/1172619786.db2.gz ZGXRXPHNKKXROJ-MIMYLULJSA-N -1 1 287.323 1.687 20 0 CDADMM CC(C)(C)[C@H](CO)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589093275 1173124216 /nfs/dbraw/zinc/12/42/16/1173124216.db2.gz VWOVDTOCZXXVLC-VIFPVBQESA-N -1 1 295.368 1.065 20 0 CDADMM CC(C)(C)NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001589141064 1173125896 /nfs/dbraw/zinc/12/58/96/1173125896.db2.gz GOCDRPVOQWWJRM-UHFFFAOYSA-N -1 1 284.323 1.876 20 0 CDADMM CC(C)(Nc1cccc(-c2nnn[n-]2)n1)C(F)F ZINC001589327546 1173137770 /nfs/dbraw/zinc/13/77/70/1173137770.db2.gz YAXDXLNQVGBXKU-UHFFFAOYSA-N -1 1 254.244 1.717 20 0 CDADMM CC(C)(Nc1cccc(-c2nn[n-]n2)n1)C(F)F ZINC001589327546 1173137773 /nfs/dbraw/zinc/13/77/73/1173137773.db2.gz YAXDXLNQVGBXKU-UHFFFAOYSA-N -1 1 254.244 1.717 20 0 CDADMM CC(C)N(CC1CC1)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589679398 1173168499 /nfs/dbraw/zinc/16/84/99/1173168499.db2.gz QOFVXMUZWOZWRK-UHFFFAOYSA-N -1 1 286.339 1.522 20 0 CDADMM CC(C)N(CC1CC1)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589679398 1173168502 /nfs/dbraw/zinc/16/85/02/1173168502.db2.gz QOFVXMUZWOZWRK-UHFFFAOYSA-N -1 1 286.339 1.522 20 0 CDADMM CC(C)c1cccc(Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC001589771543 1173175412 /nfs/dbraw/zinc/17/54/12/1173175412.db2.gz UFXNCODWYNPYAK-UHFFFAOYSA-N -1 1 269.312 1.630 20 0 CDADMM CC(C)c1ncc(NC(=O)c2coc(-c3nnn[n-]3)c2)cn1 ZINC001589777281 1173179750 /nfs/dbraw/zinc/17/97/50/1173179750.db2.gz OACNSGSFZSOOMG-UHFFFAOYSA-N -1 1 299.294 1.625 20 0 CDADMM CC(C)c1ncc(NC(=O)c2coc(-c3nn[n-]n3)c2)cn1 ZINC001589777281 1173179754 /nfs/dbraw/zinc/17/97/54/1173179754.db2.gz OACNSGSFZSOOMG-UHFFFAOYSA-N -1 1 299.294 1.625 20 0 CDADMM C[C@@H](CNc1cccc(-c2nnn[n-]2)n1)c1ccccn1 ZINC001589876976 1173193370 /nfs/dbraw/zinc/19/33/70/1173193370.db2.gz BXGDDEHNVOCJNL-JTQLQIEISA-N -1 1 281.323 1.872 20 0 CDADMM C[C@@H](CNc1cccc(-c2nn[n-]n2)n1)c1ccccn1 ZINC001589876976 1173193374 /nfs/dbraw/zinc/19/33/74/1173193374.db2.gz BXGDDEHNVOCJNL-JTQLQIEISA-N -1 1 281.323 1.872 20 0 CDADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1csnn1 ZINC001589984628 1173221392 /nfs/dbraw/zinc/22/13/92/1173221392.db2.gz RQKMDFTUNVGJHD-LURJTMIESA-N -1 1 274.313 1.286 20 0 CDADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1csnn1 ZINC001589984628 1173221399 /nfs/dbraw/zinc/22/13/99/1173221399.db2.gz RQKMDFTUNVGJHD-LURJTMIESA-N -1 1 274.313 1.286 20 0 CDADMM C[C@H](O)C[C@@H]1CCCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001589995444 1173226896 /nfs/dbraw/zinc/22/68/96/1173226896.db2.gz DUOHZSMMPFTUSZ-QWRGUYRKSA-N -1 1 288.355 1.392 20 0 CDADMM C[C@H](O)C[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001589995444 1173226899 /nfs/dbraw/zinc/22/68/99/1173226899.db2.gz DUOHZSMMPFTUSZ-QWRGUYRKSA-N -1 1 288.355 1.392 20 0 CDADMM CC1(C)[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1(F)F ZINC001590077750 1173246774 /nfs/dbraw/zinc/24/67/74/1173246774.db2.gz ZBNLWQWIFVOCFW-ZETCQYMHSA-N -1 1 281.270 1.360 20 0 CDADMM CC1(C)[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1(F)F ZINC001590077750 1173246776 /nfs/dbraw/zinc/24/67/76/1173246776.db2.gz ZBNLWQWIFVOCFW-ZETCQYMHSA-N -1 1 281.270 1.360 20 0 CDADMM CC1(C)CC[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590093831 1173254903 /nfs/dbraw/zinc/25/49/03/1173254903.db2.gz YIQNUNXCVCWJCD-JTQLQIEISA-N -1 1 272.312 1.180 20 0 CDADMM CC1(C)CC[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590093831 1173254907 /nfs/dbraw/zinc/25/49/07/1173254907.db2.gz YIQNUNXCVCWJCD-JTQLQIEISA-N -1 1 272.312 1.180 20 0 CDADMM C[C@]1(CNc2cncc(-c3nnn[n-]3)n2)CCCCO1 ZINC001590135026 1173266227 /nfs/dbraw/zinc/26/62/27/1173266227.db2.gz NVVOBAWUIJUQRA-GFCCVEGCSA-N -1 1 275.316 1.028 20 0 CDADMM C[C@]1(CNc2cncc(-c3nn[n-]n3)n2)CCCCO1 ZINC001590135026 1173266233 /nfs/dbraw/zinc/26/62/33/1173266233.db2.gz NVVOBAWUIJUQRA-GFCCVEGCSA-N -1 1 275.316 1.028 20 0 CDADMM CC1(Nc2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001590149692 1173271427 /nfs/dbraw/zinc/27/14/27/1173271427.db2.gz UQRAZRKPYPEPCX-UHFFFAOYSA-N -1 1 256.722 1.941 20 0 CDADMM CC1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)CCC1 ZINC001590147980 1173273352 /nfs/dbraw/zinc/27/33/52/1173273352.db2.gz AEJGLPWIOQQZJF-UHFFFAOYSA-N -1 1 299.381 1.149 20 0 CDADMM CC1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)CCC1 ZINC001590147980 1173273358 /nfs/dbraw/zinc/27/33/58/1173273358.db2.gz AEJGLPWIOQQZJF-UHFFFAOYSA-N -1 1 299.381 1.149 20 0 CDADMM C[C@H]1[C@H](C(F)(F)F)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001590167311 1173281527 /nfs/dbraw/zinc/28/15/27/1173281527.db2.gz MENYKVBITIQQSS-NKWVEPMBSA-N -1 1 299.260 1.434 20 0 CDADMM C[C@@H]1C[C@H](C)N1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590191409 1173284218 /nfs/dbraw/zinc/28/42/18/1173284218.db2.gz PWLZDOFXVGXRPX-KNVOCYPGSA-N -1 1 293.356 1.016 20 0 CDADMM C[C@@H]1C[C@H](C)N1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590191409 1173284224 /nfs/dbraw/zinc/28/42/24/1173284224.db2.gz PWLZDOFXVGXRPX-KNVOCYPGSA-N -1 1 293.356 1.016 20 0 CDADMM C[C@H]1C[C@H]1CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590221850 1173300299 /nfs/dbraw/zinc/30/02/99/1173300299.db2.gz UPDGGDJFSGQYSA-BQBZGAKWSA-N -1 1 263.326 1.314 20 0 CDADMM CC1CCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590266536 1173328677 /nfs/dbraw/zinc/32/86/77/1173328677.db2.gz DDAMMAITLQTTHL-UHFFFAOYSA-N -1 1 287.327 1.526 20 0 CDADMM CC1CCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590266536 1173328685 /nfs/dbraw/zinc/32/86/85/1173328685.db2.gz DDAMMAITLQTTHL-UHFFFAOYSA-N -1 1 287.327 1.526 20 0 CDADMM C[C@H]1OCC[C@@]1(C)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590333297 1173359873 /nfs/dbraw/zinc/35/98/73/1173359873.db2.gz DYVYZDMXCDUAHV-JMCQJSRRSA-N -1 1 293.352 1.226 20 0 CDADMM CCC1(CNc2ccc(C)nc2-c2nnn[n-]2)COC1 ZINC001590496957 1173433567 /nfs/dbraw/zinc/43/35/67/1173433567.db2.gz XHUKZDZSIMMEHT-UHFFFAOYSA-N -1 1 274.328 1.409 20 0 CDADMM CCC1(CNc2ccc(C)nc2-c2nn[n-]n2)COC1 ZINC001590496957 1173433568 /nfs/dbraw/zinc/43/35/68/1173433568.db2.gz XHUKZDZSIMMEHT-UHFFFAOYSA-N -1 1 274.328 1.409 20 0 CDADMM CCC1(CC(=O)OCc2ccc(-c3nnn[n-]3)o2)COC1 ZINC001590491830 1173433647 /nfs/dbraw/zinc/43/36/47/1173433647.db2.gz LYSKJZQTOPEYEW-UHFFFAOYSA-N -1 1 292.295 1.320 20 0 CDADMM CCC1(CC(=O)OCc2ccc(-c3nn[n-]n3)o2)COC1 ZINC001590491830 1173433651 /nfs/dbraw/zinc/43/36/51/1173433651.db2.gz LYSKJZQTOPEYEW-UHFFFAOYSA-N -1 1 292.295 1.320 20 0 CDADMM CC[C@H]1[C@H](C)CCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590502248 1173437732 /nfs/dbraw/zinc/43/77/32/1173437732.db2.gz MTJCYEMPLZNPKR-SCZZXKLOSA-N -1 1 275.312 1.720 20 0 CDADMM CC[C@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590514305 1173445522 /nfs/dbraw/zinc/44/55/22/1173445522.db2.gz HPCPCBDPHWDSSI-VIFPVBQESA-N -1 1 272.312 1.134 20 0 CDADMM CC[C@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590514305 1173445527 /nfs/dbraw/zinc/44/55/27/1173445527.db2.gz HPCPCBDPHWDSSI-VIFPVBQESA-N -1 1 272.312 1.134 20 0 CDADMM CC[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001590517202 1173446208 /nfs/dbraw/zinc/44/62/08/1173446208.db2.gz LWTRYNSWHNBXIM-SSDOTTSWSA-N -1 1 292.730 1.540 20 0 CDADMM CCC[C@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001590568410 1173465856 /nfs/dbraw/zinc/46/58/56/1173465856.db2.gz BVXNKGFOUOSYOB-JTQLQIEISA-N -1 1 273.344 1.673 20 0 CDADMM CCC[C@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001590568410 1173465858 /nfs/dbraw/zinc/46/58/58/1173465858.db2.gz BVXNKGFOUOSYOB-JTQLQIEISA-N -1 1 273.344 1.673 20 0 CDADMM CCCSCC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590650328 1173484454 /nfs/dbraw/zinc/48/44/54/1173484454.db2.gz LYTHFKCFSBLTGW-UHFFFAOYSA-N -1 1 298.397 1.083 20 0 CDADMM CCCSCC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590650328 1173484466 /nfs/dbraw/zinc/48/44/66/1173484466.db2.gz LYTHFKCFSBLTGW-UHFFFAOYSA-N -1 1 298.397 1.083 20 0 CDADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1)C(C)C ZINC001590674141 1173486382 /nfs/dbraw/zinc/48/63/82/1173486382.db2.gz APCNCTNDEVKTOJ-UHFFFAOYSA-N -1 1 294.746 1.786 20 0 CDADMM CCN(C(=O)c1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001590675327 1173487306 /nfs/dbraw/zinc/48/73/06/1173487306.db2.gz LGWUYQIUJCYSND-UHFFFAOYSA-N -1 1 294.318 1.928 20 0 CDADMM CCN(C(=O)c1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001590675327 1173487310 /nfs/dbraw/zinc/48/73/10/1173487310.db2.gz LGWUYQIUJCYSND-UHFFFAOYSA-N -1 1 294.318 1.928 20 0 CDADMM CCN(Cc1ccoc1)c1cncc(-c2nnn[n-]2)n1 ZINC001590721268 1173497950 /nfs/dbraw/zinc/49/79/50/1173497950.db2.gz MJWGYKIKJUMLQS-UHFFFAOYSA-N -1 1 271.284 1.276 20 0 CDADMM CCN(Cc1ccoc1)c1cncc(-c2nn[n-]n2)n1 ZINC001590721268 1173497954 /nfs/dbraw/zinc/49/79/54/1173497954.db2.gz MJWGYKIKJUMLQS-UHFFFAOYSA-N -1 1 271.284 1.276 20 0 CDADMM CCN1C(=O)C(C)(C)N[C@H]1c1ccc(-c2nn[n-]n2)s1 ZINC001590725908 1173502677 /nfs/dbraw/zinc/50/26/77/1173502677.db2.gz URPJGFMZIBWKSW-SNVBAGLBSA-N -1 1 292.368 1.157 20 0 CDADMM CC[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1ccccn1 ZINC001590868086 1173534432 /nfs/dbraw/zinc/53/44/32/1173534432.db2.gz FVPAVBOEYBJSPY-JTQLQIEISA-N -1 1 298.306 1.736 20 0 CDADMM CC[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1ccccn1 ZINC001590868086 1173534437 /nfs/dbraw/zinc/53/44/37/1173534437.db2.gz FVPAVBOEYBJSPY-JTQLQIEISA-N -1 1 298.306 1.736 20 0 CDADMM CCc1ccc(Cn2c(C)c(C)nc2-c2nnn[n-]2)nc1 ZINC001590890079 1173537037 /nfs/dbraw/zinc/53/70/37/1173537037.db2.gz MJZOMPLORZFZGC-UHFFFAOYSA-N -1 1 283.339 1.686 20 0 CDADMM CCc1ccc(Cn2c(C)c(C)nc2-c2nn[n-]n2)nc1 ZINC001590890079 1173537040 /nfs/dbraw/zinc/53/70/40/1173537040.db2.gz MJZOMPLORZFZGC-UHFFFAOYSA-N -1 1 283.339 1.686 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H](C)[C@H](C)C2)n1 ZINC001590904423 1173539124 /nfs/dbraw/zinc/53/91/24/1173539124.db2.gz BRNPCMCHRBPBMP-DTORHVGOSA-N -1 1 273.344 1.311 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H](C)[C@H](C)C2)n1 ZINC001590904423 1173539130 /nfs/dbraw/zinc/53/91/30/1173539130.db2.gz BRNPCMCHRBPBMP-DTORHVGOSA-N -1 1 273.344 1.311 20 0 CDADMM CCc1nc(CNc2cc(C)cc(-c3nnn[n-]3)n2)co1 ZINC001590913869 1173542311 /nfs/dbraw/zinc/54/23/11/1173542311.db2.gz LBGKZPOVOQODJB-UHFFFAOYSA-N -1 1 285.311 1.733 20 0 CDADMM CCc1nc(CNc2cc(C)cc(-c3nn[n-]n3)n2)co1 ZINC001590913869 1173542315 /nfs/dbraw/zinc/54/23/15/1173542315.db2.gz LBGKZPOVOQODJB-UHFFFAOYSA-N -1 1 285.311 1.733 20 0 CDADMM CCc1ncc(CNc2cc(C)cc(-c3nnn[n-]3)n2)o1 ZINC001590925048 1173544443 /nfs/dbraw/zinc/54/44/43/1173544443.db2.gz LLLQYUHCHKBCBS-UHFFFAOYSA-N -1 1 285.311 1.733 20 0 CDADMM CCc1ncc(CNc2cc(C)cc(-c3nn[n-]n3)n2)o1 ZINC001590925048 1173544447 /nfs/dbraw/zinc/54/44/47/1173544447.db2.gz LLLQYUHCHKBCBS-UHFFFAOYSA-N -1 1 285.311 1.733 20 0 CDADMM CCc1nnc(Sc2ncncc2-c2nnn[n-]2)s1 ZINC001590934107 1173547598 /nfs/dbraw/zinc/54/75/98/1173547598.db2.gz YUBQTKZCPVQHPZ-UHFFFAOYSA-N -1 1 292.353 1.222 20 0 CDADMM CCc1nnc(Sc2ncncc2-c2nn[n-]n2)s1 ZINC001590934107 1173547603 /nfs/dbraw/zinc/54/76/03/1173547603.db2.gz YUBQTKZCPVQHPZ-UHFFFAOYSA-N -1 1 292.353 1.222 20 0 CDADMM CN(C)c1ccc(CNc2cccnc2-c2nnn[n-]2)cn1 ZINC001591032464 1173563455 /nfs/dbraw/zinc/56/34/55/1173563455.db2.gz OCXCARJZOAHYPD-UHFFFAOYSA-N -1 1 296.338 1.335 20 0 CDADMM CN(C)c1ccc(CNc2cccnc2-c2nn[n-]n2)cn1 ZINC001591032464 1173563459 /nfs/dbraw/zinc/56/34/59/1173563459.db2.gz OCXCARJZOAHYPD-UHFFFAOYSA-N -1 1 296.338 1.335 20 0 CDADMM CO[C@@H]([C@H](C)Nc1cc(-c2nnn[n-]2)nc(C)n1)C1CC1 ZINC001591327625 1173611940 /nfs/dbraw/zinc/61/19/40/1173611940.db2.gz UUPUURMRAXUHEY-MADCSZMMSA-N -1 1 289.343 1.191 20 0 CDADMM CO[C@@H]([C@H](C)Nc1cc(-c2nn[n-]n2)nc(C)n1)C1CC1 ZINC001591327625 1173611942 /nfs/dbraw/zinc/61/19/42/1173611942.db2.gz UUPUURMRAXUHEY-MADCSZMMSA-N -1 1 289.343 1.191 20 0 CDADMM CO[C@H](COC(=O)c1csc(-c2nnn[n-]2)c1)C1CC1 ZINC001591333886 1173614530 /nfs/dbraw/zinc/61/45/30/1173614530.db2.gz FHMLVEAUKRWVJR-SECBINFHSA-N -1 1 294.336 1.510 20 0 CDADMM CO[C@H](COC(=O)c1csc(-c2nn[n-]n2)c1)C1CC1 ZINC001591333886 1173614534 /nfs/dbraw/zinc/61/45/34/1173614534.db2.gz FHMLVEAUKRWVJR-SECBINFHSA-N -1 1 294.336 1.510 20 0 CDADMM CO[C@@H](Cn1ccnc1-c1nnn[n-]1)C1CCCCC1 ZINC001591334938 1173614785 /nfs/dbraw/zinc/61/47/85/1173614785.db2.gz SANNZUCXKNHQHO-NSHDSACASA-N -1 1 276.344 1.659 20 0 CDADMM CO[C@@H](Cn1ccnc1-c1nn[n-]n1)C1CCCCC1 ZINC001591334938 1173614788 /nfs/dbraw/zinc/61/47/88/1173614788.db2.gz SANNZUCXKNHQHO-NSHDSACASA-N -1 1 276.344 1.659 20 0 CDADMM COC1(CNC(=O)c2cc(-c3nnn[n-]3)oc2C)CCC1 ZINC001591342056 1173620545 /nfs/dbraw/zinc/62/05/45/1173620545.db2.gz GPHGFNNTFVLIJF-UHFFFAOYSA-N -1 1 291.311 1.067 20 0 CDADMM COC1(CNC(=O)c2cc(-c3nn[n-]n3)oc2C)CCC1 ZINC001591342056 1173620550 /nfs/dbraw/zinc/62/05/50/1173620550.db2.gz GPHGFNNTFVLIJF-UHFFFAOYSA-N -1 1 291.311 1.067 20 0 CDADMM COC1(CC(=O)Nc2cccc(-c3nnn[n-]3)n2)CCC1 ZINC001591341175 1173620818 /nfs/dbraw/zinc/62/08/18/1173620818.db2.gz MPDPNDIYESOBFJ-UHFFFAOYSA-N -1 1 288.311 1.159 20 0 CDADMM COC1(CC(=O)Nc2cccc(-c3nn[n-]n3)n2)CCC1 ZINC001591341175 1173620822 /nfs/dbraw/zinc/62/08/22/1173620822.db2.gz MPDPNDIYESOBFJ-UHFFFAOYSA-N -1 1 288.311 1.159 20 0 CDADMM COC1CCC(Nc2ncncc2-c2nn[n-]n2)CC1 ZINC001591349690 1173621567 /nfs/dbraw/zinc/62/15/67/1173621567.db2.gz BKPGLZZJHNJHLG-UHFFFAOYSA-N -1 1 275.316 1.026 20 0 CDADMM COCCCN(C)C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591412938 1173649482 /nfs/dbraw/zinc/64/94/82/1173649482.db2.gz CFOCEEZNMMJIHX-UHFFFAOYSA-N -1 1 293.302 1.114 20 0 CDADMM COCCCN(C)C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591412938 1173649486 /nfs/dbraw/zinc/64/94/86/1173649486.db2.gz CFOCEEZNMMJIHX-UHFFFAOYSA-N -1 1 293.302 1.114 20 0 CDADMM COc1ccc(CCn2cc(-c3nn[n-]n3)ccc2=O)cc1 ZINC001591586478 1173671513 /nfs/dbraw/zinc/67/15/13/1173671513.db2.gz SZJLZMLHZUNNLW-UHFFFAOYSA-N -1 1 297.318 1.280 20 0 CDADMM COc1cccc(CNc2cc(-c3nnn[n-]3)ncn2)c1C ZINC001591639487 1173677108 /nfs/dbraw/zinc/67/71/08/1173677108.db2.gz MPGWIKNTTLXCJX-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1cccc(CNc2cc(-c3nn[n-]n3)ncn2)c1C ZINC001591639487 1173677118 /nfs/dbraw/zinc/67/71/18/1173677118.db2.gz MPGWIKNTTLXCJX-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM C[C@@]12CN(c3cccnc3-c3nnn[n-]3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC001591760323 1173696681 /nfs/dbraw/zinc/69/66/81/1173696681.db2.gz PNNNKOAKYHAGIO-JBBSTSQOSA-N -1 1 294.362 1.910 20 0 CDADMM C[C@@]12CN(c3cccnc3-c3nn[n-]n3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC001591760323 1173696684 /nfs/dbraw/zinc/69/66/84/1173696684.db2.gz PNNNKOAKYHAGIO-JBBSTSQOSA-N -1 1 294.362 1.910 20 0 CDADMM C[C@H](OC(=O)c1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001591771292 1173698352 /nfs/dbraw/zinc/69/83/52/1173698352.db2.gz MJGKXOUDUZHTMZ-ZETCQYMHSA-N -1 1 276.271 1.961 20 0 CDADMM C[C@H](OC(=O)c1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001591771292 1173698356 /nfs/dbraw/zinc/69/83/56/1173698356.db2.gz MJGKXOUDUZHTMZ-ZETCQYMHSA-N -1 1 276.271 1.961 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]2CC(C)C)n1 ZINC001591889254 1173739338 /nfs/dbraw/zinc/73/93/38/1173739338.db2.gz RVHQBLVOVNBIMP-LLVKDONJSA-N -1 1 287.371 1.980 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]2CC(C)C)n1 ZINC001591889254 1173739342 /nfs/dbraw/zinc/73/93/42/1173739342.db2.gz RVHQBLVOVNBIMP-LLVKDONJSA-N -1 1 287.371 1.980 20 0 CDADMM Cc1cc(CSCc2ccc(-c3nnn[n-]3)o2)nn1C ZINC001591973352 1173763213 /nfs/dbraw/zinc/76/32/13/1173763213.db2.gz SWEMIAOTCSOTCH-UHFFFAOYSA-N -1 1 290.352 1.935 20 0 CDADMM Cc1cc(CSCc2ccc(-c3nn[n-]n3)o2)nn1C ZINC001591973352 1173763215 /nfs/dbraw/zinc/76/32/15/1173763215.db2.gz SWEMIAOTCSOTCH-UHFFFAOYSA-N -1 1 290.352 1.935 20 0 CDADMM Cc1cc(NC[C@H](O)c2ccccn2)cc(-c2nnn[n-]2)n1 ZINC001592041411 1173780909 /nfs/dbraw/zinc/78/09/09/1173780909.db2.gz IHXWRYUHUPALEK-ZDUSSCGKSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1cc(NC[C@H](O)c2ccccn2)cc(-c2nn[n-]n2)n1 ZINC001592041411 1173780915 /nfs/dbraw/zinc/78/09/15/1173780915.db2.gz IHXWRYUHUPALEK-ZDUSSCGKSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1cc(NCCc2cccnc2)cc(-c2nnn[n-]2)n1 ZINC001592051318 1173787025 /nfs/dbraw/zinc/78/70/25/1173787025.db2.gz PDEWJJGQQOMMFC-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1cc(NCCc2cccnc2)cc(-c2nn[n-]n2)n1 ZINC001592051318 1173787034 /nfs/dbraw/zinc/78/70/34/1173787034.db2.gz PDEWJJGQQOMMFC-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1cc(NCc2ncccc2C)cc(-c2nnn[n-]2)n1 ZINC001592053841 1173788861 /nfs/dbraw/zinc/78/88/61/1173788861.db2.gz WIXUQEFAHNDOGR-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1cc(NCc2ncccc2C)cc(-c2nn[n-]n2)n1 ZINC001592053841 1173788868 /nfs/dbraw/zinc/78/88/68/1173788868.db2.gz WIXUQEFAHNDOGR-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1cc2n[nH]cc2cc1Nc1nccnc1-c1nnn[n-]1 ZINC001592069746 1173793773 /nfs/dbraw/zinc/79/37/73/1173793773.db2.gz DXFCNCFKDPJUFR-UHFFFAOYSA-N -1 1 293.294 1.585 20 0 CDADMM Cc1cc2n[nH]cc2cc1Nc1nccnc1-c1nn[n-]n1 ZINC001592069746 1173793777 /nfs/dbraw/zinc/79/37/77/1173793777.db2.gz DXFCNCFKDPJUFR-UHFFFAOYSA-N -1 1 293.294 1.585 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC[C@H](CO)CC1 ZINC001592110891 1173802981 /nfs/dbraw/zinc/80/29/81/1173802981.db2.gz WPSOJXHOEWPNKW-NSHDSACASA-N -1 1 288.355 1.169 20 0 CDADMM Cc1[nH]nc(NCc2ccc(C)c(F)c2)c1-c1nnn[n-]1 ZINC001592166694 1173820911 /nfs/dbraw/zinc/82/09/11/1173820911.db2.gz VMLYLEHEWQJVDJ-UHFFFAOYSA-N -1 1 287.302 1.958 20 0 CDADMM Cc1[nH]nc(NCc2ccc(C)c(F)c2)c1-c1nn[n-]n1 ZINC001592166694 1173820918 /nfs/dbraw/zinc/82/09/18/1173820918.db2.gz VMLYLEHEWQJVDJ-UHFFFAOYSA-N -1 1 287.302 1.958 20 0 CDADMM Cc1ccc(NCC[C@@H](C)F)nc1-c1nnn[n-]1 ZINC001592183038 1173822511 /nfs/dbraw/zinc/82/25/11/1173822511.db2.gz JOSCEYTXKJCXFU-MRVPVSSYSA-N -1 1 250.281 1.730 20 0 CDADMM Cc1ccc(NCC[C@@H](C)F)nc1-c1nn[n-]n1 ZINC001592183038 1173822515 /nfs/dbraw/zinc/82/25/15/1173822515.db2.gz JOSCEYTXKJCXFU-MRVPVSSYSA-N -1 1 250.281 1.730 20 0 CDADMM Cc1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)c(O)c1 ZINC001592180803 1173827030 /nfs/dbraw/zinc/82/70/30/1173827030.db2.gz PFVGKCHLFTWRQP-UHFFFAOYSA-N -1 1 285.263 1.726 20 0 CDADMM Cc1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)c(O)c1 ZINC001592180803 1173827036 /nfs/dbraw/zinc/82/70/36/1173827036.db2.gz PFVGKCHLFTWRQP-UHFFFAOYSA-N -1 1 285.263 1.726 20 0 CDADMM Cc1cccc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)o2)n1 ZINC001592230294 1173834913 /nfs/dbraw/zinc/83/49/13/1173834913.db2.gz OJOVCYQZQFAXFP-UHFFFAOYSA-N -1 1 298.306 1.435 20 0 CDADMM Cc1cccc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001592230294 1173834918 /nfs/dbraw/zinc/83/49/18/1173834918.db2.gz OJOVCYQZQFAXFP-UHFFFAOYSA-N -1 1 298.306 1.435 20 0 CDADMM Cc1ccn(C[C@@H]2CCO[C@@H](C)C2)c(=O)c1-c1nn[n-]n1 ZINC001592266815 1173837411 /nfs/dbraw/zinc/83/74/11/1173837411.db2.gz XWJIERAVVKVUEF-WDEREUQCSA-N -1 1 289.339 1.152 20 0 CDADMM Cc1[nH]nc(NC(=O)C=Cc2ccccc2)c1-c1nn[n-]n1 ZINC001592328818 1173855858 /nfs/dbraw/zinc/85/58/58/1173855858.db2.gz XZMJJLXYGWWXMF-BQYQJAHWSA-N -1 1 295.306 1.550 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N(C)C2CCCCC2)n1 ZINC001592338800 1173859592 /nfs/dbraw/zinc/85/95/92/1173859592.db2.gz NZPZPOVTRCRZHN-UHFFFAOYSA-N -1 1 273.344 1.734 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N(C)C2CCCCC2)n1 ZINC001592338800 1173859598 /nfs/dbraw/zinc/85/95/98/1173859598.db2.gz NZPZPOVTRCRZHN-UHFFFAOYSA-N -1 1 273.344 1.734 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]3CCC[C@@H]32)n1 ZINC001592341170 1173861569 /nfs/dbraw/zinc/86/15/69/1173861569.db2.gz NSCGUCMJVCNRJJ-ONGXEEELSA-N -1 1 271.328 1.344 20 0 CDADMM Cc1nc([C@H](C)Nc2cccc(-c3nnn[n-]3)n2)no1 ZINC001592354162 1173865087 /nfs/dbraw/zinc/86/50/87/1173865087.db2.gz LFMFRGWMKFEVMJ-LURJTMIESA-N -1 1 272.272 1.126 20 0 CDADMM Cc1nc([C@H](C)Nc2cccc(-c3nn[n-]n3)n2)no1 ZINC001592354162 1173865093 /nfs/dbraw/zinc/86/50/93/1173865093.db2.gz LFMFRGWMKFEVMJ-LURJTMIESA-N -1 1 272.272 1.126 20 0 CDADMM FC1(F)CCC[C@H](CNc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001592628404 1173936071 /nfs/dbraw/zinc/93/60/71/1173936071.db2.gz SISSEGOMCQORHI-VIFPVBQESA-N -1 1 294.309 1.921 20 0 CDADMM FC1(F)CCC[C@H](CNc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001592628404 1173936079 /nfs/dbraw/zinc/93/60/79/1173936079.db2.gz SISSEGOMCQORHI-VIFPVBQESA-N -1 1 294.309 1.921 20 0 CDADMM O=C(NC1CCC(F)(F)CC1)c1ccc(-c2nnn[n-]2)o1 ZINC001592972372 1174010064 /nfs/dbraw/zinc/01/00/64/1174010064.db2.gz MPXGURDFSOZOIA-UHFFFAOYSA-N -1 1 297.265 1.767 20 0 CDADMM O=C(NC1CCC(F)(F)CC1)c1ccc(-c2nn[n-]n2)o1 ZINC001592972372 1174010071 /nfs/dbraw/zinc/01/00/71/1174010071.db2.gz MPXGURDFSOZOIA-UHFFFAOYSA-N -1 1 297.265 1.767 20 0 CDADMM O=C(N[C@@H]1CC=CCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001592973409 1174011108 /nfs/dbraw/zinc/01/11/08/1174011108.db2.gz WDTPARKXXSICAU-MRVPVSSYSA-N -1 1 259.269 1.298 20 0 CDADMM O=C(N[C@@H]1CC=CCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001592973409 1174011112 /nfs/dbraw/zinc/01/11/12/1174011112.db2.gz WDTPARKXXSICAU-MRVPVSSYSA-N -1 1 259.269 1.298 20 0 CDADMM O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1coc(-c2nnn[n-]2)c1 ZINC001593034401 1174016094 /nfs/dbraw/zinc/01/60/94/1174016094.db2.gz QSXNQESXRKWMLM-KXUCPTDWSA-N -1 1 287.323 1.626 20 0 CDADMM O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1coc(-c2nn[n-]n2)c1 ZINC001593034401 1174016099 /nfs/dbraw/zinc/01/60/99/1174016099.db2.gz QSXNQESXRKWMLM-KXUCPTDWSA-N -1 1 287.323 1.626 20 0 CDADMM O=C(Nc1cc(F)cc(F)c1)c1coc(-c2nnn[n-]2)c1 ZINC001593210597 1174035235 /nfs/dbraw/zinc/03/52/35/1174035235.db2.gz XQSLADIGJPAHFZ-UHFFFAOYSA-N -1 1 291.217 1.990 20 0 CDADMM O=C(Nc1cc(F)cc(F)c1)c1coc(-c2nn[n-]n2)c1 ZINC001593210597 1174035241 /nfs/dbraw/zinc/03/52/41/1174035241.db2.gz XQSLADIGJPAHFZ-UHFFFAOYSA-N -1 1 291.217 1.990 20 0 CDADMM O=C(Nc1nccs1)c1coc(-c2nnn[n-]2)c1 ZINC001593268138 1174047284 /nfs/dbraw/zinc/04/72/84/1174047284.db2.gz RNRTYBVYBWRZAZ-UHFFFAOYSA-N -1 1 262.254 1.169 20 0 CDADMM O=C(Nc1nccs1)c1coc(-c2nn[n-]n2)c1 ZINC001593268138 1174047289 /nfs/dbraw/zinc/04/72/89/1174047289.db2.gz RNRTYBVYBWRZAZ-UHFFFAOYSA-N -1 1 262.254 1.169 20 0 CDADMM O=C(c1csc(-c2nn[n-]n2)c1)N1C[C@@H]2C[C@@H]2C1 ZINC001593371189 1174070291 /nfs/dbraw/zinc/07/02/91/1174070291.db2.gz MXYONGYDNOJTRS-KNVOCYPGSA-N -1 1 261.310 1.020 20 0 CDADMM OCC1(CNc2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001593524716 1174101531 /nfs/dbraw/zinc/10/15/31/1174101531.db2.gz YHCGLMQVEDLCSU-UHFFFAOYSA-N -1 1 286.748 1.161 20 0 CDADMM OCC1(CNc2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001593524716 1174101535 /nfs/dbraw/zinc/10/15/35/1174101535.db2.gz YHCGLMQVEDLCSU-UHFFFAOYSA-N -1 1 286.748 1.161 20 0 CDADMM OCC[C@H](Nc1ccnc(-c2nnn[n-]2)c1)C1CCCC1 ZINC001593529969 1174104484 /nfs/dbraw/zinc/10/44/84/1174104484.db2.gz YHGWOWZUQLGOIL-LBPRGKRZSA-N -1 1 288.355 1.037 20 0 CDADMM OCC[C@H](Nc1ccnc(-c2nn[n-]n2)c1)C1CCCC1 ZINC001593529969 1174104487 /nfs/dbraw/zinc/10/44/87/1174104487.db2.gz YHGWOWZUQLGOIL-LBPRGKRZSA-N -1 1 288.355 1.037 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CC[C@]3(C2)CCCOC3)c1 ZINC001593549674 1174120986 /nfs/dbraw/zinc/12/09/86/1174120986.db2.gz AJRJLTWRUQIWSM-AWEZNQCLSA-N -1 1 286.339 1.269 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CC[C@]3(C2)CCCOC3)c1 ZINC001593549674 1174120988 /nfs/dbraw/zinc/12/09/88/1174120988.db2.gz AJRJLTWRUQIWSM-AWEZNQCLSA-N -1 1 286.339 1.269 20 0 CDADMM c1cc([C@@H](Nc2ccnc(-c3nnn[n-]3)c2)C2CC2)ccn1 ZINC001593551896 1174125211 /nfs/dbraw/zinc/12/52/11/1174125211.db2.gz NGVCDQAPQUCSDU-AWEZNQCLSA-N -1 1 293.334 1.642 20 0 CDADMM c1cc([C@@H](Nc2ccnc(-c3nn[n-]n3)c2)C2CC2)ccn1 ZINC001593551896 1174125215 /nfs/dbraw/zinc/12/52/15/1174125215.db2.gz NGVCDQAPQUCSDU-AWEZNQCLSA-N -1 1 293.334 1.642 20 0 CDADMM c1cc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)nc(-c2nn[n-]n2)n1 ZINC001593558685 1174134427 /nfs/dbraw/zinc/13/44/27/1174134427.db2.gz ORYQYJYNRWXWFS-HBNTYKKESA-N -1 1 285.355 1.459 20 0 CDADMM c1cc(NCC[C@@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001593560999 1174135844 /nfs/dbraw/zinc/13/58/44/1174135844.db2.gz PTNXEQXSVNPFPH-JTQLQIEISA-N -1 1 274.328 1.490 20 0 CDADMM c1ccc(C[C@H]2C[C@@H]2Nc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001593572348 1174143783 /nfs/dbraw/zinc/14/37/83/1174143783.db2.gz ZOGGPWQKMBCMOP-RYUDHWBXSA-N -1 1 293.334 1.700 20 0 CDADMM c1ccc(C[C@H]2C[C@@H]2Nc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001593572348 1174143788 /nfs/dbraw/zinc/14/37/88/1174143788.db2.gz ZOGGPWQKMBCMOP-RYUDHWBXSA-N -1 1 293.334 1.700 20 0 CDADMM c1cncc([C@@H](Nc2ncncc2-c2nn[n-]n2)C2CC2)c1 ZINC001593587430 1174152195 /nfs/dbraw/zinc/15/21/95/1174152195.db2.gz GJSCTOWKVDIWLN-LBPRGKRZSA-N -1 1 294.322 1.615 20 0 CDADMM Nc1ncncc1CNC(=O)c1ncc2ccccc2c1[O-] ZINC001595613491 1174209729 /nfs/dbraw/zinc/20/97/29/1174209729.db2.gz JSSDCWKDOODRDX-UHFFFAOYSA-N -1 1 295.302 1.243 20 0 CDADMM Cc1cc(CN)oc1C(=O)NC1(C(=O)[O-])CCCC1 ZINC001600191853 1174396951 /nfs/dbraw/zinc/39/69/51/1174396951.db2.gz PBMGXOFUSNRTRR-UHFFFAOYSA-N -1 1 266.297 1.174 20 0 CDADMM Cc1ccc(C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)cc1C(=O)[O-] ZINC001600334674 1174445910 /nfs/dbraw/zinc/44/59/10/1174445910.db2.gz JHKKAKASXKPSPV-TXEJJXNPSA-N -1 1 290.363 1.858 20 0 CDADMM Cc1ccc2[nH]nnc2c1NC(=O)c1ccc(C(=O)[O-])n1C ZINC001600490701 1174488630 /nfs/dbraw/zinc/48/86/30/1174488630.db2.gz YOLWWDYWOPDHGZ-UHFFFAOYSA-N -1 1 299.290 1.555 20 0 CDADMM Cc1cccnc1CN[C@@H](CC(F)(F)F)C(=O)[O-] ZINC001600593782 1174517506 /nfs/dbraw/zinc/51/75/06/1174517506.db2.gz SUVDQLIHUMKEEX-QMMMGPOBSA-N -1 1 262.231 1.885 20 0 CDADMM Cc1nonc1CN[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001600818874 1174628174 /nfs/dbraw/zinc/62/81/74/1174628174.db2.gz SCLQPILAYBHCMM-MFKMUULPSA-N -1 1 289.335 1.800 20 0 CDADMM Cn1cc(CN[C@@H](C(=O)[O-])c2cccc(O)c2)cn1 ZINC001600953587 1174678844 /nfs/dbraw/zinc/67/88/44/1174678844.db2.gz ZUIWZEXRGIXOCL-GFCCVEGCSA-N -1 1 261.281 1.041 20 0 CDADMM O=C([O-])c1ccccc1NC(=O)CN1CC[C@H]2C[C@H]2C1 ZINC001601308698 1174831257 /nfs/dbraw/zinc/83/12/57/1174831257.db2.gz OIYSAOALJKMHFA-QWRGUYRKSA-N -1 1 274.320 1.665 20 0 CDADMM O=C([O-])[C@H](c1cccnc1)N1CCC(F)(F)[C@H](CO)C1 ZINC001601698059 1174951557 /nfs/dbraw/zinc/95/15/57/1174951557.db2.gz HPXVBXDFCKEHIL-QWRGUYRKSA-N -1 1 286.278 1.157 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](O)CN1Cc1ccc(F)c2ccccc12 ZINC001601772576 1174999267 /nfs/dbraw/zinc/99/92/67/1174999267.db2.gz LRCUZYHNEBUTNY-NHYWBVRUSA-N -1 1 289.306 1.999 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](O)CN1CCSC1CCCCC1 ZINC001601774424 1175001960 /nfs/dbraw/zinc/00/19/60/1175001960.db2.gz YIGLNAZVAXJJET-ZYHUDNBSSA-N -1 1 273.398 1.572 20 0 CDADMM O=C([O-])[C@H](c1ccccc1F)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC001601826170 1175023078 /nfs/dbraw/zinc/02/30/78/1175023078.db2.gz AOFNJTHQSGRAIR-KCJUWKMLSA-N -1 1 267.256 1.358 20 0 CDADMM O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)c1[nH]ncc1F ZINC001602104291 1175131054 /nfs/dbraw/zinc/13/10/54/1175131054.db2.gz MQCAEDONBQNZBI-SNVBAGLBSA-N -1 1 291.282 1.365 20 0 CDADMM O=C([O-])[C@@H](F)CNC[C@@H](O)c1ccc(F)cc1Cl ZINC001602170120 1175150146 /nfs/dbraw/zinc/15/01/46/1175150146.db2.gz QHQPTXQSTCGDRP-VHSXEESVSA-N -1 1 279.670 1.525 20 0 CDADMM O=C([O-])c1ccc2c(c1)CC[N@@H+]([C@H]1CCCNC1=O)C2 ZINC001602416291 1175233927 /nfs/dbraw/zinc/23/39/27/1175233927.db2.gz OYEXKYZVUQIQBZ-ZDUSSCGKSA-N -1 1 274.320 1.022 20 0 CDADMM O=C([O-])c1ccc2c(c1)CCN([C@H]1CCCNC1=O)C2 ZINC001602416291 1175233929 /nfs/dbraw/zinc/23/39/29/1175233929.db2.gz OYEXKYZVUQIQBZ-ZDUSSCGKSA-N -1 1 274.320 1.022 20 0 CDADMM O=C([O-])c1cccnc1SCCc1c[nH]nn1 ZINC001602477018 1175251824 /nfs/dbraw/zinc/25/18/24/1175251824.db2.gz UUDQSOZLPKIHAI-UHFFFAOYSA-N -1 1 250.283 1.233 20 0 CDADMM O=C([O-])c1ccsc1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001602490725 1175260756 /nfs/dbraw/zinc/26/07/56/1175260756.db2.gz UQFYWQSPTGEUCF-HTQZYQBOSA-N -1 1 277.305 1.912 20 0 CDADMM O=C([O-])c1cnc(CN[C@H]2CCN(CC(F)F)C2)s1 ZINC001602521166 1175267785 /nfs/dbraw/zinc/26/77/85/1175267785.db2.gz NDYUTJNMTCKKIG-ZETCQYMHSA-N -1 1 291.323 1.270 20 0 CDADMM O=C([O-])c1cncc(Nc2cnn(-c3ccncc3)c2)n1 ZINC001602541172 1175283566 /nfs/dbraw/zinc/28/35/66/1175283566.db2.gz DQGHAHPWSRHMSE-UHFFFAOYSA-N -1 1 282.263 1.499 20 0 CDADMM C1=CCC(CCNc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001602748840 1175383894 /nfs/dbraw/zinc/38/38/94/1175383894.db2.gz HHNIJSXQEALYGY-UHFFFAOYSA-N -1 1 257.301 1.425 20 0 CDADMM C1=CCC(CCNc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001602748840 1175383905 /nfs/dbraw/zinc/38/39/05/1175383905.db2.gz HHNIJSXQEALYGY-UHFFFAOYSA-N -1 1 257.301 1.425 20 0 CDADMM CC(C)(C)[C@@H]1CN(c2cccnc2-c2nnn[n-]2)CCO1 ZINC001603067823 1175484230 /nfs/dbraw/zinc/48/42/30/1175484230.db2.gz RJRIOZNGVYOFGN-NSHDSACASA-N -1 1 288.355 1.513 20 0 CDADMM CC(C)(C)[C@@H]1CN(c2cccnc2-c2nn[n-]n2)CCO1 ZINC001603067823 1175484234 /nfs/dbraw/zinc/48/42/34/1175484234.db2.gz RJRIOZNGVYOFGN-NSHDSACASA-N -1 1 288.355 1.513 20 0 CDADMM CC(C)[C@@H]1CN(c2cc(-c3nnn[n-]3)ncn2)CCS1 ZINC001603249629 1175525520 /nfs/dbraw/zinc/52/55/20/1175525520.db2.gz SFINLKVRHRDOEP-JTQLQIEISA-N -1 1 291.384 1.235 20 0 CDADMM CC(C)[C@@H]1CN(c2cc(-c3nn[n-]n3)ncn2)CCS1 ZINC001603249629 1175525525 /nfs/dbraw/zinc/52/55/25/1175525525.db2.gz SFINLKVRHRDOEP-JTQLQIEISA-N -1 1 291.384 1.235 20 0 CDADMM CC(C)CC[C@](C)(O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001603277646 1175531575 /nfs/dbraw/zinc/53/15/75/1175531575.db2.gz HMCPYABFGCOHLT-ZDUSSCGKSA-N -1 1 291.359 1.256 20 0 CDADMM CC(C)CC[C@](C)(O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001603277646 1175531583 /nfs/dbraw/zinc/53/15/83/1175531583.db2.gz HMCPYABFGCOHLT-ZDUSSCGKSA-N -1 1 291.359 1.256 20 0 CDADMM CC(C)(C)[C@H](NC(=O)c1cncc2nc[nH]c21)C(=O)[O-] ZINC001603310524 1175536243 /nfs/dbraw/zinc/53/62/43/1175536243.db2.gz OEZWSMZSZONKOY-SNVBAGLBSA-N -1 1 276.296 1.187 20 0 CDADMM CC(C)OCCOc1ccc(F)nc1-c1nn[n-]n1 ZINC001603357382 1175548390 /nfs/dbraw/zinc/54/83/90/1175548390.db2.gz SPIUVUHXYBORDB-UHFFFAOYSA-N -1 1 267.264 1.205 20 0 CDADMM C[C@H](Cc1ccno1)OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603585081 1175571878 /nfs/dbraw/zinc/57/18/78/1175571878.db2.gz NUGNUWLTDBSURR-SSDOTTSWSA-N -1 1 289.251 1.236 20 0 CDADMM C[C@@H](O)CCCn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001603697576 1175601366 /nfs/dbraw/zinc/60/13/66/1175601366.db2.gz ZRMYUVZSRYBPEE-SNVBAGLBSA-N -1 1 299.334 1.343 20 0 CDADMM CC(C)[C@H]1CN(C)CCN1C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001603759398 1175619952 /nfs/dbraw/zinc/61/99/52/1175619952.db2.gz JVBOHRKDEIZFFW-QWHCGFSZSA-N -1 1 295.383 1.141 20 0 CDADMM C[C@@H]1C[C@H]1c1noc(-c2cccc(-c3nnn[n-]3)n2)n1 ZINC001603873546 1175663716 /nfs/dbraw/zinc/66/37/16/1175663716.db2.gz YTMPYKXKYIASHG-RNFRBKRXSA-N -1 1 269.268 1.435 20 0 CDADMM C[C@@H]1C[C@H]1c1noc(-c2cccc(-c3nn[n-]n3)n2)n1 ZINC001603873546 1175663718 /nfs/dbraw/zinc/66/37/18/1175663718.db2.gz YTMPYKXKYIASHG-RNFRBKRXSA-N -1 1 269.268 1.435 20 0 CDADMM C[C@H]1CC[C@@H](CC(=O)Nc2c[nH]nc2-c2nn[n-]n2)C1 ZINC001603877148 1175666476 /nfs/dbraw/zinc/66/64/76/1175666476.db2.gz XGKWMWXEABYLTA-JGVFFNPUSA-N -1 1 275.316 1.355 20 0 CDADMM C[C@@H]1CCc2[n-]n(-c3ccc(-c4nn[nH]n4)cc3)c(=O)c21 ZINC001603880714 1175668972 /nfs/dbraw/zinc/66/89/72/1175668972.db2.gz GXKQDZQZQCNFDP-PRHODGIISA-N -1 1 282.307 1.615 20 0 CDADMM C[C@H]1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001603889066 1175672909 /nfs/dbraw/zinc/67/29/09/1175672909.db2.gz FUOLMLVMEJRNAP-DTWKUNHWSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@H]1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001603889066 1175672914 /nfs/dbraw/zinc/67/29/14/1175672914.db2.gz FUOLMLVMEJRNAP-DTWKUNHWSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@@H]1CCC[C@H]1CNc1ncncc1-c1nn[n-]n1 ZINC001603890994 1175673206 /nfs/dbraw/zinc/67/32/06/1175673206.db2.gz SFVCNSUQGKPNMB-BDAKNGLRSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@@H]1Cc2ccccc2N1c1cncc(-c2nnn[n-]2)n1 ZINC001603952597 1175697400 /nfs/dbraw/zinc/69/74/00/1175697400.db2.gz KWDJCZKIQXJFHV-SECBINFHSA-N -1 1 279.307 1.739 20 0 CDADMM C[C@@H]1Cc2ccccc2N1c1cncc(-c2nn[n-]n2)n1 ZINC001603952597 1175697403 /nfs/dbraw/zinc/69/74/03/1175697403.db2.gz KWDJCZKIQXJFHV-SECBINFHSA-N -1 1 279.307 1.739 20 0 CDADMM CCC(C)(C)C(=O)Cn1c(C)c(C)nc1-c1nnn[n-]1 ZINC001603979907 1175705235 /nfs/dbraw/zinc/70/52/35/1175705235.db2.gz CIOSLEBZAWDNIK-UHFFFAOYSA-N -1 1 276.344 1.685 20 0 CDADMM CCC(C)(C)C(=O)Cn1c(C)c(C)nc1-c1nn[n-]n1 ZINC001603979907 1175705241 /nfs/dbraw/zinc/70/52/41/1175705241.db2.gz CIOSLEBZAWDNIK-UHFFFAOYSA-N -1 1 276.344 1.685 20 0 CDADMM CC[C@@H](C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)OC ZINC001603998728 1175713972 /nfs/dbraw/zinc/71/39/72/1175713972.db2.gz GDTWOTIIDFBKIG-SCZZXKLOSA-N -1 1 277.332 1.130 20 0 CDADMM CC[C@@H](C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)OC ZINC001603998728 1175713977 /nfs/dbraw/zinc/71/39/77/1175713977.db2.gz GDTWOTIIDFBKIG-SCZZXKLOSA-N -1 1 277.332 1.130 20 0 CDADMM CC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)C(OC)OC ZINC001604063643 1175743118 /nfs/dbraw/zinc/74/31/18/1175743118.db2.gz JMMKUXIBUPSEMA-MRVPVSSYSA-N -1 1 278.316 1.071 20 0 CDADMM CC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)C(OC)OC ZINC001604063643 1175743121 /nfs/dbraw/zinc/74/31/21/1175743121.db2.gz JMMKUXIBUPSEMA-MRVPVSSYSA-N -1 1 278.316 1.071 20 0 CDADMM CC[C@@H](O)CCCNc1cccnc1-c1nnn[n-]1 ZINC001604067096 1175745619 /nfs/dbraw/zinc/74/56/19/1175745619.db2.gz UBFWVFQJONLKPW-SECBINFHSA-N -1 1 262.317 1.225 20 0 CDADMM CC[C@@H](O)CCCNc1cccnc1-c1nn[n-]n1 ZINC001604067096 1175745625 /nfs/dbraw/zinc/74/56/25/1175745625.db2.gz UBFWVFQJONLKPW-SECBINFHSA-N -1 1 262.317 1.225 20 0 CDADMM CC[C@H](OC(=O)c1ccsc1-c1nnn[n-]1)C(=O)OC ZINC001604072817 1175748756 /nfs/dbraw/zinc/74/87/56/1175748756.db2.gz UQVGUJGQALZAKQ-ZETCQYMHSA-N -1 1 296.308 1.037 20 0 CDADMM CC[C@H](OC(=O)c1ccsc1-c1nn[n-]n1)C(=O)OC ZINC001604072817 1175748761 /nfs/dbraw/zinc/74/87/61/1175748761.db2.gz UQVGUJGQALZAKQ-ZETCQYMHSA-N -1 1 296.308 1.037 20 0 CDADMM CCC1(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001604087106 1175751693 /nfs/dbraw/zinc/75/16/93/1175751693.db2.gz YWMJISQOWSVUDP-UHFFFAOYSA-N -1 1 272.312 1.182 20 0 CDADMM CCC1(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001604087106 1175751696 /nfs/dbraw/zinc/75/16/96/1175751696.db2.gz YWMJISQOWSVUDP-UHFFFAOYSA-N -1 1 272.312 1.182 20 0 CDADMM C[C@](CO)(NC(=O)c1ncccc1[O-])c1ccccc1 ZINC000134391694 1175816524 /nfs/dbraw/zinc/81/65/24/1175816524.db2.gz NBOAJWMDPCMCLH-OAHLLOKOSA-N -1 1 272.304 1.425 20 0 CDADMM Cn1ccnc1NC(=O)c1ccc2cccnc2c1[O-] ZINC000221417586 1177914777 /nfs/dbraw/zinc/91/47/77/1177914777.db2.gz JRMCKEFNQMUIRD-UHFFFAOYSA-N -1 1 268.276 1.926 20 0 CDADMM CC(C)(O)[C@H]1CCCN1C(=O)c1ccc([O-])cc1F ZINC000165496017 1181014321 /nfs/dbraw/zinc/01/43/21/1181014321.db2.gz FFGOLVNRUUSZSG-GFCCVEGCSA-N -1 1 267.300 1.907 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@H](C)[C@H]1C ZINC001606166224 1163793857 /nfs/dbraw/zinc/79/38/57/1163793857.db2.gz QAAAFDORZOLQPM-JGVFFNPUSA-N -1 1 275.312 1.639 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@H](C)[C@H]1C ZINC001606166224 1163793864 /nfs/dbraw/zinc/79/38/64/1163793864.db2.gz QAAAFDORZOLQPM-JGVFFNPUSA-N -1 1 275.312 1.639 20 0 CDADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001606816408 1164002044 /nfs/dbraw/zinc/00/20/44/1164002044.db2.gz DUQYFCXSQVVIGV-UHFFFAOYSA-N -1 1 279.250 1.171 20 0 CDADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)C1CC1 ZINC001606816408 1164002051 /nfs/dbraw/zinc/00/20/51/1164002051.db2.gz DUQYFCXSQVVIGV-UHFFFAOYSA-N -1 1 279.250 1.171 20 0 CDADMM COC[C@@]1(C(=O)[O-])CCCN1Cc1cccn1C1CC1 ZINC001606834833 1164009314 /nfs/dbraw/zinc/00/93/14/1164009314.db2.gz ZBKKLEIJSYHBBL-OAHLLOKOSA-N -1 1 278.352 1.889 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CCCCS1 ZINC001606953119 1164035751 /nfs/dbraw/zinc/03/57/51/1164035751.db2.gz OQKYPMKMIFOGTG-LURJTMIESA-N -1 1 296.381 1.547 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CCCCS1 ZINC001606953119 1164035760 /nfs/dbraw/zinc/03/57/60/1164035760.db2.gz OQKYPMKMIFOGTG-LURJTMIESA-N -1 1 296.381 1.547 20 0 CDADMM Cc1cc([C@@H](C)N(C)CCN2CCOCC2)oc1C(=O)[O-] ZINC001607608849 1164241142 /nfs/dbraw/zinc/24/11/42/1164241142.db2.gz RXGKVBNAQSVMIQ-GFCCVEGCSA-N -1 1 296.367 1.611 20 0 CDADMM Cc1cc(CCC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)n[nH]1 ZINC001607637562 1164246842 /nfs/dbraw/zinc/24/68/42/1164246842.db2.gz IDCOWLTZMMYJEA-CQSZACIVSA-N -1 1 293.367 1.800 20 0 CDADMM Cc1ccc(CNC(=O)[C@H](C)N[C@@H](C(=O)[O-])C2CC2)cc1 ZINC001607781369 1164293896 /nfs/dbraw/zinc/29/38/96/1164293896.db2.gz LZAWIBRLOVOJDA-SMDDNHRTSA-N -1 1 290.363 1.453 20 0 CDADMM Cc1csc(NC(=O)N2CCN[C@@H](C)C2)c1C(=O)[O-] ZINC001607932172 1164342105 /nfs/dbraw/zinc/34/21/05/1164342105.db2.gz IGMSLTCLVWMEHF-QMMMGPOBSA-N -1 1 283.353 1.580 20 0 CDADMM Cc1oc(CN2CC([C@H]3CCOC3)C2)cc1C(=O)[O-] ZINC001608048723 1164392581 /nfs/dbraw/zinc/39/25/81/1164392581.db2.gz LOQSQTRWUYTFKF-JTQLQIEISA-N -1 1 265.309 1.755 20 0 CDADMM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)CCN1CC[C@H](F)C1)C2 ZINC001608308339 1164487499 /nfs/dbraw/zinc/48/74/99/1164487499.db2.gz QXGQHDGXLJXGIO-HUBLWGQQSA-N -1 1 298.358 1.134 20 0 CDADMM COC(=O)c1c[n-]c(SC[C@@H]2CCO[C@@H]2C)n1 ZINC000865363904 1164638071 /nfs/dbraw/zinc/63/80/71/1164638071.db2.gz XTUAHVZQAKMIBW-SFYZADRCSA-N -1 1 256.327 1.713 20 0 CDADMM O=C([O-])c1ccc(CN2CCC[C@](O)(CO)C2)cc1Cl ZINC001608882279 1164672129 /nfs/dbraw/zinc/67/21/29/1164672129.db2.gz ODWHFSSQKBHHPU-CQSZACIVSA-N -1 1 299.754 1.357 20 0 CDADMM O=C([O-])c1coc(CN2CCC(C3(O)CC3)CC2)c1 ZINC001608987299 1164709178 /nfs/dbraw/zinc/70/91/78/1164709178.db2.gz MIYUZBWKBUKFMW-UHFFFAOYSA-N -1 1 265.309 1.715 20 0 CDADMM O=C([O-])c1occc1CN1CC[C@@H](N2CCCC2=O)C1 ZINC001609006378 1164720681 /nfs/dbraw/zinc/72/06/81/1164720681.db2.gz ORLXDWZMZNYPDF-LLVKDONJSA-N -1 1 278.308 1.175 20 0 CDADMM C[C@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001609164623 1164810091 /nfs/dbraw/zinc/81/00/91/1164810091.db2.gz UQHLVPKNMVOMAJ-IUCAKERBSA-N -1 1 259.317 1.505 20 0 CDADMM CCC[C@@H](C)COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609204925 1164845535 /nfs/dbraw/zinc/84/55/35/1164845535.db2.gz SMGZADDUCNKVIH-SECBINFHSA-N -1 1 275.312 1.855 20 0 CDADMM CCC[C@@H](C)COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609204925 1164845541 /nfs/dbraw/zinc/84/55/41/1164845541.db2.gz SMGZADDUCNKVIH-SECBINFHSA-N -1 1 275.312 1.855 20 0 CDADMM CCCN(CCC)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609213185 1164851237 /nfs/dbraw/zinc/85/12/37/1164851237.db2.gz OFKWQPWQIHYXAI-UHFFFAOYSA-N -1 1 299.356 1.270 20 0 CDADMM CCN(Cc1nc(-c2nnn[n-]2)cs1)C[C@@H]1CCCO1 ZINC001609226089 1164858797 /nfs/dbraw/zinc/85/87/97/1164858797.db2.gz BJMCTGFULBAIRK-VIFPVBQESA-N -1 1 294.384 1.324 20 0 CDADMM CCN(Cc1nc(-c2nn[n-]n2)cs1)C[C@@H]1CCCO1 ZINC001609226089 1164858807 /nfs/dbraw/zinc/85/88/07/1164858807.db2.gz BJMCTGFULBAIRK-VIFPVBQESA-N -1 1 294.384 1.324 20 0 CDADMM CCN(C)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000867891722 1164877834 /nfs/dbraw/zinc/87/78/34/1164877834.db2.gz ZQLVWGUPQWGMBN-JTQLQIEISA-N -1 1 281.278 1.201 20 0 CDADMM COC(=O)C[C@@H](C)Sc1cccc(-c2nnn[n-]2)n1 ZINC001609297044 1164883119 /nfs/dbraw/zinc/88/31/19/1164883119.db2.gz AUGXFFIHKSXNRZ-SSDOTTSWSA-N -1 1 279.325 1.305 20 0 CDADMM COC(=O)C[C@@H](C)Sc1cccc(-c2nn[n-]n2)n1 ZINC001609297044 1164883125 /nfs/dbraw/zinc/88/31/25/1164883125.db2.gz AUGXFFIHKSXNRZ-SSDOTTSWSA-N -1 1 279.325 1.305 20 0 CDADMM CSCn1cc(-c2nn[n-]n2)c(=O)c2nc(C)ccc21 ZINC001609372276 1164913892 /nfs/dbraw/zinc/91/38/92/1164913892.db2.gz YAVQDIVQUFOEQL-UHFFFAOYSA-N -1 1 288.336 1.206 20 0 CDADMM FC1(F)CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001609485983 1164969929 /nfs/dbraw/zinc/96/99/29/1164969929.db2.gz FCAIDTSZFUIKRN-ZETCQYMHSA-N -1 1 281.270 1.504 20 0 CDADMM FC1(F)CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001609485983 1164969932 /nfs/dbraw/zinc/96/99/32/1164969932.db2.gz FCAIDTSZFUIKRN-ZETCQYMHSA-N -1 1 281.270 1.504 20 0 CDADMM c1cc(N[C@@H]2CC[C@H]3C[C@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001609614664 1165010070 /nfs/dbraw/zinc/01/00/70/1165010070.db2.gz HBLHJJJTXVGRAQ-LPEHRKFASA-N -1 1 256.313 1.284 20 0 CDADMM c1cc(N[C@@H]2CC[C@H]3C[C@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001609614664 1165010076 /nfs/dbraw/zinc/01/00/76/1165010076.db2.gz HBLHJJJTXVGRAQ-LPEHRKFASA-N -1 1 256.313 1.284 20 0 CDADMM C[C@@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])C1CCCC1 ZINC001609635973 1165023926 /nfs/dbraw/zinc/02/39/26/1165023926.db2.gz KLSOYBFTYJYVNJ-SKDRFNHKSA-N -1 1 279.340 1.348 20 0 CDADMM CC(C)(O)CCNC(C)(C)c1cc(C(=O)[O-])on1 ZINC001609681543 1165038837 /nfs/dbraw/zinc/03/88/37/1165038837.db2.gz WAFWYPMYVCECOO-UHFFFAOYSA-N -1 1 256.302 1.359 20 0 CDADMM C[C@@]1(C(=O)[O-])CCCN(Cn2cccnc2=S)C1 ZINC001609812030 1165091009 /nfs/dbraw/zinc/09/10/09/1165091009.db2.gz YSAHSMOEEOFFTK-GFCCVEGCSA-N -1 1 267.354 1.757 20 0 CDADMM CN1C[C@@H]2CCN(C(=O)c3ccc(C(=O)[O-])s3)[C@@H]2C1 ZINC001610133895 1165226709 /nfs/dbraw/zinc/22/67/09/1165226709.db2.gz NAHPCEJCEPWJIA-DTWKUNHWSA-N -1 1 280.349 1.222 20 0 CDADMM COC[C@H](NC[C@@H]1CC(C(=O)[O-])=C(C)O1)c1ccco1 ZINC001610251370 1165273682 /nfs/dbraw/zinc/27/36/82/1165273682.db2.gz WCOLJIAQICGYPX-JQWIXIFHSA-N -1 1 281.308 1.704 20 0 CDADMM Cc1cnccc1C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC001610540899 1165347479 /nfs/dbraw/zinc/34/74/79/1165347479.db2.gz UXFSUPLLRZOQHT-GFCCVEGCSA-N -1 1 291.351 1.011 20 0 CDADMM O=C([O-])CSCCC(=O)Nc1ccc2[nH]nnc2c1 ZINC001610789792 1165443170 /nfs/dbraw/zinc/44/31/70/1165443170.db2.gz CGTWMLXLXGKMMP-UHFFFAOYSA-N -1 1 280.309 1.104 20 0 CDADMM CN(C(=O)c1ccc2sccc2c1)c1nn[n-]n1 ZINC001617642206 1165603749 /nfs/dbraw/zinc/60/37/49/1165603749.db2.gz MFASSKRWTDIGMX-UHFFFAOYSA-N -1 1 259.294 1.691 20 0 CDADMM CCC(CC)(NC(=O)Cc1cccs1)c1nn[n-]n1 ZINC000095284750 1166617774 /nfs/dbraw/zinc/61/77/74/1166617774.db2.gz OILHARDBSYDWNW-UHFFFAOYSA-N -1 1 279.369 1.635 20 0 CDADMM Cc1ccc2nc(CNC(=O)[C@@H](C)C(=O)[O-])[nH]c2c1 ZINC000263547160 813119332 /nfs/dbraw/zinc/11/93/32/813119332.db2.gz HVRBLJPZYJQXAF-MRVPVSSYSA-N -1 1 261.281 1.208 20 0 CDADMM Cc1[n-]n(-c2nccnc2Cl)c(=O)c1C1CC1 ZINC000871952313 813841354 /nfs/dbraw/zinc/84/13/54/813841354.db2.gz XFHSQPYCXBOBSR-MRVPVSSYSA-N -1 1 250.689 1.879 20 0 CDADMM CCCN1C[C@H](C(=O)[N-]OC2CCCC2)CC1=O ZINC000839717481 814267369 /nfs/dbraw/zinc/26/73/69/814267369.db2.gz FDEZFSTUZHRVTM-SNVBAGLBSA-N -1 1 254.330 1.235 20 0 CDADMM O=C(c1sccc1Cl)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000796263951 814699295 /nfs/dbraw/zinc/69/92/95/814699295.db2.gz GULWKDOGTFLTNV-ZETCQYMHSA-N -1 1 299.743 1.128 20 0 CDADMM COC(=O)c1ccc(C(=O)OCc2ncc(C)cn2)[n-]1 ZINC000796345286 805013195 /nfs/dbraw/zinc/01/31/95/805013195.db2.gz KNVKEZIVCAVKCR-UHFFFAOYSA-N -1 1 275.264 1.257 20 0 CDADMM COC(=O)c1cnc(S[C@@H](C(=O)OC)C(C)(C)C)[n-]1 ZINC000863323166 805013224 /nfs/dbraw/zinc/01/32/24/805013224.db2.gz FJCIVGIVYTXGGX-QMMMGPOBSA-N -1 1 286.353 1.876 20 0 CDADMM COC(=O)c1c[n-]c(S[C@@H](C(=O)OC)C(C)(C)C)n1 ZINC000863323166 805013235 /nfs/dbraw/zinc/01/32/35/805013235.db2.gz FJCIVGIVYTXGGX-QMMMGPOBSA-N -1 1 286.353 1.876 20 0 CDADMM O=C([N-]OC/C=C/Cl)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000812399152 805016465 /nfs/dbraw/zinc/01/64/65/805016465.db2.gz IWFINHFBSUYAGQ-ZPMKCOPCSA-N -1 1 294.738 1.840 20 0 CDADMM C[C@@H]1CC[C@@H](C(=O)OCc2nc(=O)n(C)[n-]2)C[C@@H]1C ZINC000837830019 805021691 /nfs/dbraw/zinc/02/16/91/805021691.db2.gz XRFRZHDDWISLBR-KXUCPTDWSA-N -1 1 267.329 1.224 20 0 CDADMM Cn1[n-]cc2c(=NC(=O)NCCC(C)(C)C)ccnc1-2 ZINC000806484700 805030130 /nfs/dbraw/zinc/03/01/30/805030130.db2.gz GFUJZDYPCDIYFZ-UHFFFAOYSA-N -1 1 275.356 1.900 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@H](CO)CC1 ZINC000819229454 805045158 /nfs/dbraw/zinc/04/51/58/805045158.db2.gz SNRPRPJZDPMPPM-JTQLQIEISA-N -1 1 267.300 1.766 20 0 CDADMM Cc1nnsc1C[N-]C(=O)C(F)(F)c1nccs1 ZINC000814159974 805053341 /nfs/dbraw/zinc/05/33/41/805053341.db2.gz OFAFJGGTUGJXNO-UHFFFAOYSA-N -1 1 290.320 1.711 20 0 CDADMM CO[C@@H]1CN(C[C@@H](O)c2ccccc2F)[C@](C)(C(=O)[O-])C1 ZINC000872161182 805056684 /nfs/dbraw/zinc/05/66/84/805056684.db2.gz QKINHFLKZQEDEH-ZBINZKHDSA-N -1 1 297.326 1.423 20 0 CDADMM CCC1CCC(NC(=O)CN(C)C)(C(=O)[O-])CC1 ZINC000167710947 805065040 /nfs/dbraw/zinc/06/50/40/805065040.db2.gz YBUNGZGBCYJPRQ-UHFFFAOYSA-N -1 1 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CC(C)(NC(=O)CCc1nc2ccccc2[nH]1)c1nn[n-]n1 ZINC000354790781 365693378 /nfs/dbraw/zinc/69/33/78/365693378.db2.gz UDGKXTWJZYHWFW-UHFFFAOYSA-N -1 1 299.338 1.060 20 0 CDADMM COc1cncc(CN2CCC(CCC(=O)[O-])CC2)n1 ZINC000629490226 362104805 /nfs/dbraw/zinc/10/48/05/362104805.db2.gz QAGPZUXBZAGPRA-UHFFFAOYSA-N -1 1 279.340 1.562 20 0 CDADMM CC(C)CN1CCN(C(=O)c2cncc([O-])c2)[C@H](C)C1=O ZINC000354818500 365711184 /nfs/dbraw/zinc/71/11/84/365711184.db2.gz YEQRYCATFZBULM-LLVKDONJSA-N -1 1 291.351 1.116 20 0 CDADMM O=C(c1cncc([O-])c1)N(C[C@@H]1CCOC1)C1CC1 ZINC000111742291 365718354 /nfs/dbraw/zinc/71/83/54/365718354.db2.gz ORQUSBFRJIXXJW-JTQLQIEISA-N -1 1 262.309 1.428 20 0 CDADMM CCOC(=O)[C@H](CC)N1CCC(CCC(=O)[O-])CC1 ZINC000595882565 343179599 /nfs/dbraw/zinc/17/95/99/343179599.db2.gz KWZYNFXNYXBVQZ-LBPRGKRZSA-N -1 1 271.357 1.905 20 0 CDADMM O=C(NCCCN1CCCCC1=O)c1cc(F)ccc1[O-] ZINC000080026153 342349541 /nfs/dbraw/zinc/34/95/41/342349541.db2.gz OOPBNDJSSZZWBD-UHFFFAOYSA-N -1 1 294.326 1.664 20 0 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271.259 1.848 20 0 CDADMM C[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@@H]1O ZINC000388072997 323781249 /nfs/dbraw/zinc/78/12/49/323781249.db2.gz ADIJQLHKBJRMQJ-BONVTDFDSA-N -1 1 271.316 1.998 20 0 CDADMM C[C@@H]1CC=CC[C@H]1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000579016970 324085201 /nfs/dbraw/zinc/08/52/01/324085201.db2.gz BNHPSKFMRIESHW-GRYCIOLGSA-N -1 1 275.356 1.508 20 0 CDADMM CN(CC(=O)OC(C)(C)C)Cc1ncccc1[O-] ZINC000579175666 324121034 /nfs/dbraw/zinc/12/10/34/324121034.db2.gz XLGRGHGQBZMTQS-UHFFFAOYSA-N -1 1 252.314 1.561 20 0 CDADMM NC(=O)CCC1CC[NH+](Cc2ncccc2[O-])CC1 ZINC000579408022 324178131 /nfs/dbraw/zinc/17/81/31/324178131.db2.gz QHTSNZLGYOZPHA-UHFFFAOYSA-N -1 1 263.341 1.265 20 0 CDADMM Cc1nn(CSC(C)C)c(=O)c(-c2nn[n-]n2)c1C ZINC001592437678 1173887009 /nfs/dbraw/zinc/88/70/09/1173887009.db2.gz YWRMAHMUJPCNLR-UHFFFAOYSA-N -1 1 280.357 1.139 20 0 CDADMM Cc1nsc(N(C)C(=O)[C@@H](C)C2CC2)c1-c1nn[n-]n1 ZINC001592468117 1173896224 /nfs/dbraw/zinc/89/62/24/1173896224.db2.gz 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C[C@@H](CN(C)C(=O)[C@H]1CCC(F)(F)C1)c1nn[n-]n1 ZINC000684751255 482953095 /nfs/dbraw/zinc/95/30/95/482953095.db2.gz GESKOMIRZJKYPJ-YUMQZZPRSA-N -1 1 273.287 1.197 20 0 CDADMM O=c1[n-]c(CN2CC[C@H](c3ccccc3)[C@H](CO)C2)n[nH]1 ZINC000352244950 482960825 /nfs/dbraw/zinc/96/08/25/482960825.db2.gz AMSAQMWJQNXJSK-QWHCGFSZSA-N -1 1 288.351 1.108 20 0 CDADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)[C@@H]1CCCO1 ZINC000681018216 483047546 /nfs/dbraw/zinc/04/75/46/483047546.db2.gz UIMYSAWHIUIAQV-UFBFGSQYSA-N -1 1 253.273 1.829 20 0 CDADMM COc1cccc([C@H](C)CC(=O)NCc2nn[n-]n2)c1 ZINC000674667579 483076751 /nfs/dbraw/zinc/07/67/51/483076751.db2.gz KAXWKYLECBXYHZ-SECBINFHSA-N -1 1 275.312 1.018 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc([O-])c(F)c2)CC[C@H]1O ZINC000681757841 483094845 /nfs/dbraw/zinc/09/48/45/483094845.db2.gz CKLZUCYAQGDAJH-LDYMZIIASA-N -1 1 253.273 1.374 20 0 CDADMM C[C@@H](CN1CCOCC1)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000684069259 483190393 /nfs/dbraw/zinc/19/03/93/483190393.db2.gz 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CCO[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000790927732 1162175511 /nfs/dbraw/zinc/17/55/11/1162175511.db2.gz MRSHPFNLZULBLO-LLVKDONJSA-N -1 1 296.754 1.756 20 0 CDADMM CC(C)c1cc(C(=O)N2CCSC[C@@H]2CC(=O)[O-])n[nH]1 ZINC000236601082 519831679 /nfs/dbraw/zinc/83/16/79/519831679.db2.gz DBBHSVPIUWRKST-VIFPVBQESA-N -1 1 297.380 1.565 20 0 CDADMM CCS(=O)(=O)CCN1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925930 521639192 /nfs/dbraw/zinc/63/91/92/521639192.db2.gz XUDGMOICPRCIMB-LLVKDONJSA-N -1 1 277.386 1.140 20 0 CDADMM COC(=O)c1ccc(CNC(=O)c2cncc([O-])c2)o1 ZINC000339952501 522027907 /nfs/dbraw/zinc/02/79/07/522027907.db2.gz VXGCHALUTJCMHI-UHFFFAOYSA-N -1 1 276.248 1.097 20 0 CDADMM CC[C@H](CCO)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340810545 522164909 /nfs/dbraw/zinc/16/49/09/522164909.db2.gz DJGGOKKYTFZHNM-SECBINFHSA-N -1 1 295.763 1.918 20 0 CDADMM Cn1[n-]cc2/c(=N\C(=O)C3CCCCC3)ccnc1-2 ZINC000279619052 534666287 /nfs/dbraw/zinc/66/62/87/534666287.db2.gz HQYRAUNBJKTARZ-ATVHPVEESA-N -1 1 258.325 1.861 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JTRFXTAZNPFNSO-LLVKDONJSA-N -1 1 270.354 1.109 20 0 CDADMM Cc1nnc(CN[C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])o1 ZINC001600794679 1174614187 /nfs/dbraw/zinc/61/41/87/1174614187.db2.gz AGQWVPYRWOJRSB-ZWNOBZJWSA-N -1 1 289.335 1.800 20 0 CDADMM C[C@H](CN(C)C(=O)CCc1ccccc1F)c1nn[n-]n1 ZINC000124088748 574423263 /nfs/dbraw/zinc/42/32/63/574423263.db2.gz KBZQPYOUSKIAKE-SNVBAGLBSA-N -1 1 291.330 1.534 20 0 CDADMM Cc1sc(C(=O)[O-])cc1NC(=O)[C@@]1(C)CNCCO1 ZINC001600869448 1174650685 /nfs/dbraw/zinc/65/06/85/1174650685.db2.gz UHNVZDMEKLYASR-GFCCVEGCSA-N -1 1 284.337 1.072 20 0 CDADMM CN(CCc1ccccn1)C(=O)c1ccc2[nH]nnc2c1 ZINC000073138748 574433286 /nfs/dbraw/zinc/43/32/86/574433286.db2.gz SQBSOCLPNVAJHR-UHFFFAOYSA-N -1 1 281.319 1.668 20 0 CDADMM O=C([O-])[C@@H](CNC(=O)CCc1nc[nH]n1)CC1CCCC1 ZINC001601297540 1174827607 /nfs/dbraw/zinc/82/76/07/1174827607.db2.gz WJNYKCQNNGFENQ-LLVKDONJSA-N -1 1 294.355 1.135 20 0 CDADMM Fc1ccccc1CCNc1nccnc1-c1nnn[n-]1 ZINC000737668639 574606635 /nfs/dbraw/zinc/60/66/35/574606635.db2.gz HTAMANCEUBCFKW-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM Fc1ccccc1CCNc1nccnc1-c1nn[n-]n1 ZINC000737668639 574606636 /nfs/dbraw/zinc/60/66/36/574606636.db2.gz HTAMANCEUBCFKW-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM O=C(Nc1nn[n-]n1)c1sc(N2CCCC2)nc1Cl ZINC000728207721 574622524 /nfs/dbraw/zinc/62/25/24/574622524.db2.gz GAGOCJCTUJMZEP-UHFFFAOYSA-N -1 1 299.747 1.162 20 0 CDADMM Cc1ccc(C[C@@H](C)N(C)CC(=O)NCCC(=O)[O-])cc1 ZINC000738584129 574730696 /nfs/dbraw/zinc/73/06/96/574730696.db2.gz GNHVORXYKYVYNX-CYBMUJFWSA-N -1 1 292.379 1.449 20 0 CDADMM COCCN1CCN(Cc2cc(C)c(C(=O)[O-])o2)C[C@H]1C ZINC000737814081 575044394 /nfs/dbraw/zinc/04/43/94/575044394.db2.gz VMPXUORJMDSOIJ-GFCCVEGCSA-N -1 1 296.367 1.439 20 0 CDADMM O=C(Nc1ccc(F)cn1)c1ccc2n[n-]c(=S)n2c1 ZINC000774381813 575201655 /nfs/dbraw/zinc/20/16/55/575201655.db2.gz UGHWLTRWEAJPFN-UHFFFAOYSA-N -1 1 289.295 1.804 20 0 CDADMM O=C(C[C@@H]1CCc2ccccc2C1)OCc1nn[n-]n1 ZINC000737819666 575082931 /nfs/dbraw/zinc/08/29/31/575082931.db2.gz NWXWWTQCXVTRBR-SNVBAGLBSA-N -1 1 272.308 1.438 20 0 CDADMM Cc1cc(CC(=O)N[C@H](CC(=O)[O-])c2ccccc2)[nH]n1 ZINC000769516201 575355315 /nfs/dbraw/zinc/35/53/15/575355315.db2.gz MATYXVQDOVDQMW-CYBMUJFWSA-N -1 1 287.319 1.593 20 0 CDADMM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1c([O-])cccc1Cl ZINC000770153792 575426496 /nfs/dbraw/zinc/42/64/96/575426496.db2.gz PEFJQOOPPJAHMA-SCZZXKLOSA-N -1 1 296.754 1.690 20 0 CDADMM CC(=O)N1CCCN([C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000736134234 575576020 /nfs/dbraw/zinc/57/60/20/575576020.db2.gz HMKNVBTZDHCFBT-CQSZACIVSA-N -1 1 294.326 1.506 20 0 CDADMM CC(C)(C)OC(=O)CN1CCCC[C@@H]1CC(=O)[O-] ZINC000736261138 575606439 /nfs/dbraw/zinc/60/64/39/575606439.db2.gz ATFSXVFFBVLHEO-SNVBAGLBSA-N -1 1 257.330 1.657 20 0 CDADMM CC(C)[C@H](NC(=O)[O-])C(=O)N1C[C@H]2CCCCN2C[C@@H]1C ZINC000736359763 575640170 /nfs/dbraw/zinc/64/01/70/575640170.db2.gz CFVWEIPFIPJGFF-XQQFMLRXSA-N -1 1 297.399 1.364 20 0 CDADMM CCCN(CCC)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736474306 575673682 /nfs/dbraw/zinc/67/36/82/575673682.db2.gz ZRXKFZMMBFEGAG-UHFFFAOYSA-N -1 1 274.328 1.524 20 0 CDADMM CCCN(CCC)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736474306 575673683 /nfs/dbraw/zinc/67/36/83/575673683.db2.gz ZRXKFZMMBFEGAG-UHFFFAOYSA-N -1 1 274.328 1.524 20 0 CDADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000736678862 575718281 /nfs/dbraw/zinc/71/82/81/575718281.db2.gz XYCPVWUDMHSCEL-SDDRHHMPSA-N -1 1 296.367 1.426 20 0 CDADMM O=C(COC(=O)C1(F)CCCC1)[N-]C(=O)c1ccccc1 ZINC000772784855 575753660 /nfs/dbraw/zinc/75/36/60/575753660.db2.gz RXKXZJDIBWFIOO-UHFFFAOYSA-N -1 1 293.294 1.769 20 0 CDADMM CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000736939897 575773623 /nfs/dbraw/zinc/77/36/23/575773623.db2.gz BXJSQUWDSBZSDF-YNEHKIRRSA-N -1 1 284.400 1.819 20 0 CDADMM O=C(C=Cc1ccco1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000773312907 575800406 /nfs/dbraw/zinc/80/04/06/575800406.db2.gz BMNYBCQKCPUADF-OMMCCPJFSA-N -1 1 289.291 1.788 20 0 CDADMM NC(=O)[C@H](OC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000773573428 575827299 /nfs/dbraw/zinc/82/72/99/575827299.db2.gz MZROUVFFBHOAMI-CYBMUJFWSA-N -1 1 289.262 1.915 20 0 CDADMM CCOC(=O)[C@@H]1CCCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000737134356 575830371 /nfs/dbraw/zinc/83/03/71/575830371.db2.gz OSDXNIKWYPIOHB-SNVBAGLBSA-N -1 1 281.308 1.753 20 0 CDADMM C[C@H]1CC[C@H](Nc2nccnc2-c2nnn[n-]2)CC1 ZINC000737196311 575900376 /nfs/dbraw/zinc/90/03/76/575900376.db2.gz FFZBCDVFZDZYKG-KYZUINATSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@H]1CC[C@H](Nc2nccnc2-c2nn[n-]n2)CC1 ZINC000737196311 575900379 /nfs/dbraw/zinc/90/03/79/575900379.db2.gz FFZBCDVFZDZYKG-KYZUINATSA-N -1 1 259.317 1.647 20 0 CDADMM CN(CCC(=O)NCC(=O)[O-])Cc1ccccc1Cl ZINC000737412547 575958924 /nfs/dbraw/zinc/95/89/24/575958924.db2.gz SAVSNPFHLHLFPJ-UHFFFAOYSA-N -1 1 284.743 1.363 20 0 CDADMM O=S(=O)(Cc1nc(Cl)ccc1Cl)c1ncn[n-]1 ZINC000764899464 575962913 /nfs/dbraw/zinc/96/29/13/575962913.db2.gz GDFIEDKGFDXMAX-UHFFFAOYSA-N -1 1 293.135 1.480 20 0 CDADMM O=S(=O)(Cc1nc(Cl)ccc1Cl)c1nc[n-]n1 ZINC000764899464 575962916 /nfs/dbraw/zinc/96/29/16/575962916.db2.gz GDFIEDKGFDXMAX-UHFFFAOYSA-N -1 1 293.135 1.480 20 0 CDADMM CCCCc1ccc(C(=O)OCc2nc(=O)n(C)[n-]2)cc1 ZINC000765410320 576017810 /nfs/dbraw/zinc/01/78/10/576017810.db2.gz UVBGOJAUKMLZBO-UHFFFAOYSA-N -1 1 289.335 1.808 20 0 CDADMM CC(C)=C[C@@H]1[C@H](C(=O)OCc2nc(=O)n(C)[n-]2)C1(C)C ZINC000765411663 576018150 /nfs/dbraw/zinc/01/81/50/576018150.db2.gz YEHYNJFOBWMZTE-MWLCHTKSSA-N -1 1 279.340 1.390 20 0 CDADMM C[C@@H](Cc1ccccc1F)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765480873 576028081 /nfs/dbraw/zinc/02/80/81/576028081.db2.gz QRMABYJADZTEAT-VIFPVBQESA-N -1 1 293.298 1.170 20 0 CDADMM Cc1[nH]ncc1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738249358 576053665 /nfs/dbraw/zinc/05/36/65/576053665.db2.gz PDOBGFNMPQGXCI-UHFFFAOYSA-N -1 1 274.280 1.738 20 0 CDADMM O[C@@H](CNc1cccc(-c2nnn[n-]2)n1)C1CCCCC1 ZINC000738381520 576065195 /nfs/dbraw/zinc/06/51/95/576065195.db2.gz HLDUDCYLLLUTSE-LBPRGKRZSA-N -1 1 288.355 1.615 20 0 CDADMM O[C@@H](CNc1cccc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC000738381520 576065198 /nfs/dbraw/zinc/06/51/98/576065198.db2.gz HLDUDCYLLLUTSE-LBPRGKRZSA-N -1 1 288.355 1.615 20 0 CDADMM Cc1ccccc1[C@@H]1CCN(Cn2cc(C(=O)[O-])nn2)C1 ZINC000738766446 576111335 /nfs/dbraw/zinc/11/13/35/576111335.db2.gz FTKSFKHHQJBJNP-GFCCVEGCSA-N -1 1 286.335 1.732 20 0 CDADMM Cc1nn(C)c2ncc(C[N@H+]3CCC[C@@H](C(=O)[O-])C3)cc12 ZINC000738918298 576135277 /nfs/dbraw/zinc/13/52/77/576135277.db2.gz LPAHOCRMBSVWJS-GFCCVEGCSA-N -1 1 288.351 1.573 20 0 CDADMM O=C([O-])[C@@H]1CC12CCN(CN1CCSC1=S)CC2 ZINC000739533274 576247920 /nfs/dbraw/zinc/24/79/20/576247920.db2.gz VEADMLFOSIVGOO-VIFPVBQESA-N -1 1 286.422 1.464 20 0 CDADMM O=C(N[C@@H]1CCCCC12OCCO2)c1ccc([O-])c(F)c1 ZINC000768296805 576269179 /nfs/dbraw/zinc/26/91/79/576269179.db2.gz OWGPEBBMNDSWDM-CYBMUJFWSA-N -1 1 295.310 1.947 20 0 CDADMM Nc1nc(CN2CCC(C(=O)[O-])CC2)nc2ccccc12 ZINC000740343014 576463569 /nfs/dbraw/zinc/46/35/69/576463569.db2.gz YDIKUPVEFUAGMA-UHFFFAOYSA-N -1 1 286.335 1.509 20 0 CDADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2CCCO2)c1 ZINC000744558257 576686823 /nfs/dbraw/zinc/68/68/23/576686823.db2.gz NVTRPSYDEGOVOW-AWEZNQCLSA-N -1 1 278.304 1.860 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1CCCOC1 ZINC000747366912 576866848 /nfs/dbraw/zinc/86/68/48/576866848.db2.gz ILOZVHFXJYUTHS-NSHDSACASA-N -1 1 293.367 1.770 20 0 CDADMM C[C@H](OC(=O)c1cc(F)cc(Cl)c1[O-])C(N)=O ZINC000748476776 576914361 /nfs/dbraw/zinc/91/43/61/576914361.db2.gz GQIUZKYCLUOXCE-BYPYZUCNSA-N -1 1 261.636 1.215 20 0 CDADMM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000749617283 576955681 /nfs/dbraw/zinc/95/56/81/576955681.db2.gz CYVWHBHAGJTPHU-CHWSQXEVSA-N -1 1 296.367 1.209 20 0 CDADMM Cc1nnc(C[N-]C(=O)C(F)(F)c2nccs2)s1 ZINC000756534022 576994071 /nfs/dbraw/zinc/99/40/71/576994071.db2.gz DYNXMQKKMKDRRC-UHFFFAOYSA-N -1 1 290.320 1.711 20 0 CDADMM CCN1CCN(C(=O)c2c([O-])cccc2Cl)CC1=O ZINC000756736521 577002671 /nfs/dbraw/zinc/00/26/71/577002671.db2.gz HYKCDVHYAMXZPG-UHFFFAOYSA-N -1 1 282.727 1.350 20 0 CDADMM O=C([N-]c1nc(-c2cccnc2)ns1)c1ccc[n+]([O-])c1 ZINC000756809234 577005850 /nfs/dbraw/zinc/00/58/50/577005850.db2.gz MKPYLHBTXLMERR-UHFFFAOYSA-N -1 1 299.315 1.486 20 0 CDADMM CC(C)[C@@H](OC(=O)c1cc(F)cc(Cl)c1[O-])C(N)=O ZINC000751729114 577061720 /nfs/dbraw/zinc/06/17/20/577061720.db2.gz AMQDMSPIAZSSSA-SNVBAGLBSA-N -1 1 289.690 1.851 20 0 CDADMM O=C(Nc1cccc2c1COC2=O)c1cncc([O-])c1 ZINC000752855044 577130616 /nfs/dbraw/zinc/13/06/16/577130616.db2.gz WCQKNADLRCLITA-UHFFFAOYSA-N -1 1 270.244 1.710 20 0 CDADMM O=C([O-])CN1CCN(C(=O)C2[C@H]3CCCCCC[C@H]23)CC1 ZINC001602063403 1175124176 /nfs/dbraw/zinc/12/41/76/1175124176.db2.gz SBRYOWMIMCZCRA-STQMWFEESA-N -1 1 294.395 1.432 20 0 CDADMM Cc1cccc2c1N[C@H](c1ccc(-c3nnn[n-]3)o1)NC2=O ZINC000822341069 599117425 /nfs/dbraw/zinc/11/74/25/599117425.db2.gz TVKAYFQLGRSTID-LBPRGKRZSA-N -1 1 296.290 1.622 20 0 CDADMM Cc1cccc2c1N[C@H](c1ccc(-c3nn[n-]n3)o1)NC2=O ZINC000822341069 599117428 /nfs/dbraw/zinc/11/74/28/599117428.db2.gz TVKAYFQLGRSTID-LBPRGKRZSA-N -1 1 296.290 1.622 20 0 CDADMM O=C([O-])c1ccc(C[N@H+]2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC001602336667 1175210054 /nfs/dbraw/zinc/21/00/54/1175210054.db2.gz KZESCPMSZQJWLW-CYBMUJFWSA-N -1 1 267.256 1.383 20 0 CDADMM O=C([O-])c1ccc(CN2C[C@@H]3C(=O)OC[C@@H]3C2)c(F)c1 ZINC001602339706 1175213795 /nfs/dbraw/zinc/21/37/95/1175213795.db2.gz HGCJDOMUSHLKNS-QWRGUYRKSA-N -1 1 279.267 1.129 20 0 CDADMM O=C([O-])c1ccc(CNCCN2CCCC2=O)c(F)c1 ZINC001602348283 1175220890 /nfs/dbraw/zinc/22/08/90/1175220890.db2.gz ONEJAUMXURIFBM-UHFFFAOYSA-N -1 1 280.299 1.236 20 0 CDADMM C[C@H](C(=O)Nc1c(F)cccc1F)N(C)CCC(=O)[O-] ZINC000817737857 597001463 /nfs/dbraw/zinc/00/14/63/597001463.db2.gz KPESHGRLWDFJOB-MRVPVSSYSA-N -1 1 286.278 1.698 20 0 CDADMM O=C([O-])C1(NC(=O)c2cc(F)cc3nc[nH]c32)CCCC1 ZINC000237963389 597036941 /nfs/dbraw/zinc/03/69/41/597036941.db2.gz UDOSKZRWZNFJGX-UHFFFAOYSA-N -1 1 291.282 1.829 20 0 CDADMM O=C([O-])C[C@@H]1CCCN(CN2CC3(CCCC3)CC2=O)C1 ZINC000819380207 597047931 /nfs/dbraw/zinc/04/79/31/597047931.db2.gz KILCFTNGPYXKQO-ZDUSSCGKSA-N -1 1 294.395 1.923 20 0 CDADMM CC(C)C(NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC000820025948 607320087 /nfs/dbraw/zinc/32/00/87/607320087.db2.gz FSELAJXFJVEQFH-UHFFFAOYSA-N -1 1 288.355 1.672 20 0 CDADMM CC(C)C(NC(=O)c1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC000820025948 607320088 /nfs/dbraw/zinc/32/00/88/607320088.db2.gz FSELAJXFJVEQFH-UHFFFAOYSA-N -1 1 288.355 1.672 20 0 CDADMM Cc1noc(C)c1CN1CCN(CCCCC(=O)[O-])CC1 ZINC000057875447 597793996 /nfs/dbraw/zinc/79/39/96/597793996.db2.gz UTRWUGAHAASOEC-UHFFFAOYSA-N -1 1 295.383 1.664 20 0 CDADMM CC(C)Oc1ccccc1[C@H](C)NCC(=O)NCC(=O)[O-] ZINC000820036634 597806229 /nfs/dbraw/zinc/80/62/29/597806229.db2.gz IDZSHHXDHUISEQ-NSHDSACASA-N -1 1 294.351 1.325 20 0 CDADMM O=C([O-])[C@H]1CCN(Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000821511314 598129591 /nfs/dbraw/zinc/12/95/91/598129591.db2.gz SFZLNSKLXXQFLR-GXSJLCMTSA-N -1 1 282.365 1.901 20 0 CDADMM CC(C)[C@@H](NCC(=O)NCC1CCCCC1)C(=O)[O-] ZINC000820041777 598189207 /nfs/dbraw/zinc/18/92/07/598189207.db2.gz QXBHUTUABUNLEK-CYBMUJFWSA-N -1 1 270.373 1.382 20 0 CDADMM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(O)c(Cl)c1 ZINC000019275470 598208306 /nfs/dbraw/zinc/20/83/06/598208306.db2.gz WJZWBWRAGNKZQR-SECBINFHSA-N -1 1 269.684 1.735 20 0 CDADMM C[C@@H](N[C@@H](C)CC(=O)[O-])c1nnc2n1CCCC2 ZINC000820072588 598216152 /nfs/dbraw/zinc/21/61/52/598216152.db2.gz UHCZWKUPBQCRCY-DTWKUNHWSA-N -1 1 252.318 1.128 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC2CCCCCC2)n1 ZINC000095183850 598335696 /nfs/dbraw/zinc/33/56/96/598335696.db2.gz CWHOGOHEFINQGZ-UHFFFAOYSA-N -1 1 259.317 1.791 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC2CCCCCC2)n1 ZINC000095183850 598335701 /nfs/dbraw/zinc/33/57/01/598335701.db2.gz CWHOGOHEFINQGZ-UHFFFAOYSA-N -1 1 259.317 1.791 20 0 CDADMM C[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC000095254923 598335990 /nfs/dbraw/zinc/33/59/90/598335990.db2.gz JHROWFARQREZIG-RKDXNWHRSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC000095254923 598335991 /nfs/dbraw/zinc/33/59/91/598335991.db2.gz JHROWFARQREZIG-RKDXNWHRSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@@H]1C[C@H](C)CN(c2nccnc2-c2nnn[n-]2)C1 ZINC000095252782 598336020 /nfs/dbraw/zinc/33/60/20/598336020.db2.gz CRHNWIGCHHKTPX-DTORHVGOSA-N -1 1 259.317 1.139 20 0 CDADMM C[C@@H]1C[C@H](C)CN(c2nccnc2-c2nn[n-]n2)C1 ZINC000095252782 598336022 /nfs/dbraw/zinc/33/60/22/598336022.db2.gz CRHNWIGCHHKTPX-DTORHVGOSA-N -1 1 259.317 1.139 20 0 CDADMM Fc1ccccc1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC000095166971 598383510 /nfs/dbraw/zinc/38/35/10/598383510.db2.gz MLUROLKTLWOVQB-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM Fc1ccccc1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC000095166971 598383511 /nfs/dbraw/zinc/38/35/11/598383511.db2.gz MLUROLKTLWOVQB-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccccn1 ZINC000095230473 598383648 /nfs/dbraw/zinc/38/36/48/598383648.db2.gz SCOULUCXMDQJGS-MRVPVSSYSA-N -1 1 268.284 1.225 20 0 CDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccccn1 ZINC000095230473 598383650 /nfs/dbraw/zinc/38/36/50/598383650.db2.gz SCOULUCXMDQJGS-MRVPVSSYSA-N -1 1 268.284 1.225 20 0 CDADMM Clc1ccc(N2C[C@H]3CC[C@@H](C2)O3)nc1-c1nn[n-]n1 ZINC000822574694 599685692 /nfs/dbraw/zinc/68/56/92/599685692.db2.gz XPPOTESPPMTGOP-OCAPTIKFSA-N -1 1 292.730 1.283 20 0 CDADMM CC[C@@H](C)[C@H](NC(=O)CN1CCC(C(C)C)CC1)C(=O)[O-] ZINC000828716446 600834191 /nfs/dbraw/zinc/83/41/91/600834191.db2.gz GVVJLYUXMSDZJQ-DOMZBBRYSA-N -1 1 298.427 1.970 20 0 CDADMM CCc1ccc(CC(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000821481551 599315006 /nfs/dbraw/zinc/31/50/06/599315006.db2.gz KYUNQRPBRMYXGN-UHFFFAOYSA-N -1 1 297.322 1.091 20 0 CDADMM CC[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000095264051 599405985 /nfs/dbraw/zinc/40/59/85/599405985.db2.gz OHZYSNUJMJEEKW-JTQLQIEISA-N -1 1 258.329 1.888 20 0 CDADMM 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ZINC000858440750 617189919 /nfs/dbraw/zinc/18/99/19/617189919.db2.gz CQHAGFHKZRMHLU-YUMQZZPRSA-N -1 1 257.721 1.839 20 0 CDADMM CCc1nn(C)cc1CN1CCSC[C@H]1CC(=O)[O-] ZINC000169024440 605243634 /nfs/dbraw/zinc/24/36/34/605243634.db2.gz QVDONTMNQVOFFN-LLVKDONJSA-N -1 1 283.397 1.375 20 0 CDADMM CC(C)[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CCO1 ZINC000824217051 608242796 /nfs/dbraw/zinc/24/27/96/608242796.db2.gz XOIVNRVWAHLBRY-VHSXEESVSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CCO1 ZINC000824217051 608242798 /nfs/dbraw/zinc/24/27/98/608242798.db2.gz XOIVNRVWAHLBRY-VHSXEESVSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)[C@@H]1CN(C)CCN1C(=O)CCCC(=O)[O-] ZINC000833471995 605781815 /nfs/dbraw/zinc/78/18/15/605781815.db2.gz TXUNJEGSXIMAMU-NSHDSACASA-N -1 1 256.346 1.040 20 0 CDADMM O=C(OCc1ccon1)c1ccc(-c2nnn[n-]2)s1 ZINC000823440214 606137186 /nfs/dbraw/zinc/13/71/86/606137186.db2.gz HZMGMYOLNSBLEH-UHFFFAOYSA-N -1 1 277.265 1.273 20 0 CDADMM O=C(OCc1ccon1)c1ccc(-c2nn[n-]n2)s1 ZINC000823440214 606137188 /nfs/dbraw/zinc/13/71/88/606137188.db2.gz HZMGMYOLNSBLEH-UHFFFAOYSA-N -1 1 277.265 1.273 20 0 CDADMM CCCC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821000165 606137926 /nfs/dbraw/zinc/13/79/26/606137926.db2.gz AJGMVAYKIYHLCU-UHFFFAOYSA-N -1 1 280.309 1.454 20 0 CDADMM CCCC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821000165 606137924 /nfs/dbraw/zinc/13/79/24/606137924.db2.gz AJGMVAYKIYHLCU-UHFFFAOYSA-N -1 1 280.309 1.454 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1C[C@H]1C1CC1 ZINC000823289736 606293697 /nfs/dbraw/zinc/29/36/97/606293697.db2.gz OCQUJAHHDYCMRU-VHSXEESVSA-N -1 1 285.307 1.557 20 0 CDADMM CC(C)[C@H](C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820017418 606293808 /nfs/dbraw/zinc/29/38/08/606293808.db2.gz WSJFFCQMIIQYHI-QMMMGPOBSA-N -1 1 275.312 1.803 20 0 CDADMM O=C(C[C@H]1CCCO1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822945727 606296480 /nfs/dbraw/zinc/29/64/80/606296480.db2.gz PAIRKUWOPQZKMU-SECBINFHSA-N -1 1 289.295 1.080 20 0 CDADMM COC[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000821682839 606438785 /nfs/dbraw/zinc/43/87/85/606438785.db2.gz OSGFSUHRKVMTEL-BYPYZUCNSA-N -1 1 274.737 1.423 20 0 CDADMM COC[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000821682839 606438787 /nfs/dbraw/zinc/43/87/87/606438787.db2.gz OSGFSUHRKVMTEL-BYPYZUCNSA-N -1 1 274.737 1.423 20 0 CDADMM Cc1ccc(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1C ZINC000822234624 606532106 /nfs/dbraw/zinc/53/21/06/606532106.db2.gz BPKLDMYPNKKTCY-UHFFFAOYSA-N -1 1 297.322 1.388 20 0 CDADMM Cc1ccc(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1C ZINC000822234624 606532107 /nfs/dbraw/zinc/53/21/07/606532107.db2.gz BPKLDMYPNKKTCY-UHFFFAOYSA-N -1 1 297.322 1.388 20 0 CDADMM CO[C@@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1(C)C ZINC000821678583 606609480 /nfs/dbraw/zinc/60/94/80/606609480.db2.gz PPSOIUZFFBVTBB-NXEZZACHSA-N -1 1 274.328 1.487 20 0 CDADMM CO[C@@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1(C)C ZINC000821678583 606609481 /nfs/dbraw/zinc/60/94/81/606609481.db2.gz PPSOIUZFFBVTBB-NXEZZACHSA-N -1 1 274.328 1.487 20 0 CDADMM CSC[C@H](C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821956417 606651271 /nfs/dbraw/zinc/65/12/71/606651271.db2.gz OBIGIZQPOJILQK-QMMMGPOBSA-N -1 1 293.352 1.304 20 0 CDADMM CSC[C@H](C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821956417 606651272 /nfs/dbraw/zinc/65/12/72/606651272.db2.gz OBIGIZQPOJILQK-QMMMGPOBSA-N -1 1 293.352 1.304 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccncc1 ZINC000823436449 606653254 /nfs/dbraw/zinc/65/32/54/606653254.db2.gz VXUUXVHOONQTJM-UHFFFAOYSA-N -1 1 282.263 1.014 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccncc1 ZINC000823436449 606653255 /nfs/dbraw/zinc/65/32/55/606653255.db2.gz VXUUXVHOONQTJM-UHFFFAOYSA-N -1 1 282.263 1.014 20 0 CDADMM Cc1ccncc1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000822379980 606801451 /nfs/dbraw/zinc/80/14/51/606801451.db2.gz YBOLJLWINWPHSL-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1ccncc1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000822379980 606801453 /nfs/dbraw/zinc/80/14/53/606801453.db2.gz YBOLJLWINWPHSL-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM CC(=O)CCCCOC(=O)c1sccc1-c1nn[n-]n1 ZINC000819781668 606829014 /nfs/dbraw/zinc/82/90/14/606829014.db2.gz CDIUREXFRSROKF-UHFFFAOYSA-N -1 1 294.336 1.844 20 0 CDADMM OC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000095168088 607899414 /nfs/dbraw/zinc/89/94/14/607899414.db2.gz SPTNRXRFUVSBEM-GFCCVEGCSA-N -1 1 282.307 1.407 20 0 CDADMM OC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000095168088 607899415 /nfs/dbraw/zinc/89/94/15/607899415.db2.gz SPTNRXRFUVSBEM-GFCCVEGCSA-N -1 1 282.307 1.407 20 0 CDADMM COc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826210520 607987278 /nfs/dbraw/zinc/98/72/78/607987278.db2.gz VAYDGAFAWMGQHZ-UHFFFAOYSA-N -1 1 269.268 1.409 20 0 CDADMM COc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826210520 607987279 /nfs/dbraw/zinc/98/72/79/607987279.db2.gz VAYDGAFAWMGQHZ-UHFFFAOYSA-N -1 1 269.268 1.409 20 0 CDADMM Cc1cc(C)c(C(=O)Cn2ccnc2-c2nnn[n-]2)cc1C ZINC000826263003 608014224 /nfs/dbraw/zinc/01/42/24/608014224.db2.gz HQTBYQKCECRSMI-UHFFFAOYSA-N -1 1 296.334 1.871 20 0 CDADMM Cc1cc(C)c(C(=O)Cn2ccnc2-c2nn[n-]n2)cc1C ZINC000826263003 608014225 /nfs/dbraw/zinc/01/42/25/608014225.db2.gz HQTBYQKCECRSMI-UHFFFAOYSA-N -1 1 296.334 1.871 20 0 CDADMM CCC(CC)[C@H](C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825095186 608066490 /nfs/dbraw/zinc/06/64/90/608066490.db2.gz FQXZYXHDCPYXRO-QMMMGPOBSA-N -1 1 291.359 1.611 20 0 CDADMM CCC(CC)[C@H](C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825095186 608066491 /nfs/dbraw/zinc/06/64/91/608066491.db2.gz FQXZYXHDCPYXRO-QMMMGPOBSA-N -1 1 291.359 1.611 20 0 CDADMM CC[C@H](COC)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000825119316 608185730 /nfs/dbraw/zinc/18/57/30/608185730.db2.gz CHFRPSPMBBJZAX-RXMQYKEDSA-N -1 1 288.764 1.814 20 0 CDADMM CC[C@H](COC)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000825119316 608185731 /nfs/dbraw/zinc/18/57/31/608185731.db2.gz CHFRPSPMBBJZAX-RXMQYKEDSA-N -1 1 288.764 1.814 20 0 CDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccco1 ZINC000826232030 608188155 /nfs/dbraw/zinc/18/81/55/608188155.db2.gz FQGCPBULQSRLAR-MRVPVSSYSA-N -1 1 285.263 1.773 20 0 CDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccco1 ZINC000826232030 608188157 /nfs/dbraw/zinc/18/81/57/608188157.db2.gz FQGCPBULQSRLAR-MRVPVSSYSA-N -1 1 285.263 1.773 20 0 CDADMM C[C@@H]1C[C@@H](CNc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000824883876 608195512 /nfs/dbraw/zinc/19/55/12/608195512.db2.gz JTJGXNWXSHWBSX-ZJUUUORDSA-N -1 1 274.328 1.489 20 0 CDADMM C[C@@H]1C[C@@H](CNc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000824883876 608195513 /nfs/dbraw/zinc/19/55/13/608195513.db2.gz JTJGXNWXSHWBSX-ZJUUUORDSA-N -1 1 274.328 1.489 20 0 CDADMM Cc1c(Nc2nccnc2-c2nnn[n-]2)cnn1CC(C)C ZINC000826242922 608306783 /nfs/dbraw/zinc/30/67/83/608306783.db2.gz MFOYPJJGUJJOID-UHFFFAOYSA-N -1 1 299.342 1.561 20 0 CDADMM Cc1c(Nc2nccnc2-c2nn[n-]n2)cnn1CC(C)C ZINC000826242922 608306784 /nfs/dbraw/zinc/30/67/84/608306784.db2.gz MFOYPJJGUJJOID-UHFFFAOYSA-N -1 1 299.342 1.561 20 0 CDADMM O=Cc1ccc(Oc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826484243 608388916 /nfs/dbraw/zinc/38/89/16/608388916.db2.gz UOZMWSFOSAETSQ-UHFFFAOYSA-N -1 1 268.236 1.262 20 0 CDADMM O=Cc1ccc(Oc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826484243 608388918 /nfs/dbraw/zinc/38/89/18/608388918.db2.gz UOZMWSFOSAETSQ-UHFFFAOYSA-N -1 1 268.236 1.262 20 0 CDADMM CC[C@H](C)CN(CC)c1ccc(-c2nnn[n-]2)nn1 ZINC000825068830 608427483 /nfs/dbraw/zinc/42/74/83/608427483.db2.gz XBGOKOKRDREGAJ-VIFPVBQESA-N -1 1 261.333 1.529 20 0 CDADMM CC[C@H](C)CN(CC)c1ccc(-c2nn[n-]n2)nn1 ZINC000825068830 608427485 /nfs/dbraw/zinc/42/74/85/608427485.db2.gz XBGOKOKRDREGAJ-VIFPVBQESA-N -1 1 261.333 1.529 20 0 CDADMM C[C@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)C[C@H]1O ZINC000824991696 608553085 /nfs/dbraw/zinc/55/30/85/608553085.db2.gz FICOQILAUWRAAW-LKFCYVNXSA-N -1 1 296.334 1.232 20 0 CDADMM C[C@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)C[C@H]1O ZINC000824991696 608553087 /nfs/dbraw/zinc/55/30/87/608553087.db2.gz FICOQILAUWRAAW-LKFCYVNXSA-N -1 1 296.334 1.232 20 0 CDADMM C[C@H]1C[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CCO1 ZINC000824891937 608800325 /nfs/dbraw/zinc/80/03/25/608800325.db2.gz CNERLUWWXSNACX-YUMQZZPRSA-N -1 1 294.746 1.895 20 0 CDADMM C[C@H]1C[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CCO1 ZINC000824891937 608800326 /nfs/dbraw/zinc/80/03/26/608800326.db2.gz CNERLUWWXSNACX-YUMQZZPRSA-N -1 1 294.746 1.895 20 0 CDADMM Cn1ccc(COC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000826363370 609155694 /nfs/dbraw/zinc/15/56/94/609155694.db2.gz JNQYPXKRJNRHRX-UHFFFAOYSA-N -1 1 290.308 1.019 20 0 CDADMM Cn1ccc(COC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000826363370 609155695 /nfs/dbraw/zinc/15/56/95/609155695.db2.gz JNQYPXKRJNRHRX-UHFFFAOYSA-N -1 1 290.308 1.019 20 0 CDADMM CC(C)[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000824226309 609320571 /nfs/dbraw/zinc/32/05/71/609320571.db2.gz XZZATTHBGWOQFL-LLVKDONJSA-N -1 1 274.328 1.123 20 0 CDADMM CC(C)[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000824226309 609320573 /nfs/dbraw/zinc/32/05/73/609320573.db2.gz XZZATTHBGWOQFL-LLVKDONJSA-N -1 1 274.328 1.123 20 0 CDADMM CC[C@@H](C)[C@@H](C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825059671 609641997 /nfs/dbraw/zinc/64/19/97/609641997.db2.gz IPDYIEODIZELJQ-NXEZZACHSA-N -1 1 289.339 1.987 20 0 CDADMM CC[C@@H](C)[C@@H](C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825059671 609641998 /nfs/dbraw/zinc/64/19/98/609641998.db2.gz IPDYIEODIZELJQ-NXEZZACHSA-N -1 1 289.339 1.987 20 0 CDADMM O=C(c1ncc2ccccc2c1[O-])N1CC[C@H](O)[C@H](F)C1 ZINC000890682646 617267739 /nfs/dbraw/zinc/26/77/39/617267739.db2.gz AOCXIZCQTBUWSP-NEPJUHHUSA-N -1 1 290.294 1.485 20 0 CDADMM Cc1nc([C@@H](C)NC(=O)c2cccc(Cl)c2[O-])n[nH]1 ZINC000804814436 617335091 /nfs/dbraw/zinc/33/50/91/617335091.db2.gz VOWXLUGTSCOMKP-ZCFIWIBFSA-N -1 1 280.715 1.963 20 0 CDADMM O=C(N[C@H]1COC[C@@H]1C1CC1)c1ccc([O-])cc1F ZINC000891052350 617357046 /nfs/dbraw/zinc/35/70/46/617357046.db2.gz HXVVGIQPIZXHGY-YPMHNXCESA-N -1 1 265.284 1.686 20 0 CDADMM COC(=O)C1(C([O-])=C(C#N)c2nc(C)cs2)CC1 ZINC000155667977 617418457 /nfs/dbraw/zinc/41/84/57/617418457.db2.gz XQOSJIMVIAZDTH-MRVPVSSYSA-N -1 1 264.306 1.581 20 0 CDADMM C[C@H]1CN(C(=O)c2c([O-])cccc2Cl)CC[C@@H]1O ZINC000779269369 617423656 /nfs/dbraw/zinc/42/36/56/617423656.db2.gz NQLGSZKDKTUBRZ-WPRPVWTQSA-N -1 1 269.728 1.889 20 0 CDADMM CC(=O)NC[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC000963962319 613782494 /nfs/dbraw/zinc/78/24/94/613782494.db2.gz RDCSHXXKUUYARN-HAQNSBGRSA-N -1 1 291.351 1.212 20 0 CDADMM CN(Cc1nnc[nH]1)Cc1ncc(Br)cc1[O-] ZINC000892073835 617463764 /nfs/dbraw/zinc/46/37/64/617463764.db2.gz WWIOBEZTZCYRLV-UHFFFAOYSA-N -1 1 298.144 1.300 20 0 CDADMM CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN(CCC(C)C)C1 ZINC000949877979 614788152 /nfs/dbraw/zinc/78/81/52/614788152.db2.gz RSCGEVSOLSDLKG-UHFFFAOYSA-N -1 1 294.399 1.616 20 0 CDADMM COC[C@H](C)[C@@H](C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891613023 617504754 /nfs/dbraw/zinc/50/47/54/617504754.db2.gz DATFWMDPYVUFSS-VHSXEESVSA-N -1 1 293.367 1.918 20 0 CDADMM CCCC(=O)N1CC[C@H]1CN(C)C(=O)c1ncccc1[O-] ZINC000977597129 614841313 /nfs/dbraw/zinc/84/13/13/614841313.db2.gz FHQDEWAHTDVTFY-NSHDSACASA-N -1 1 291.351 1.260 20 0 CDADMM CCCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000947163986 614858758 /nfs/dbraw/zinc/85/87/58/614858758.db2.gz UIWJOWZIGRUFMR-GHMZBOCLSA-N -1 1 291.351 1.164 20 0 CDADMM COCc1nc(NCC2CCOCC2)cc(=O)[n-]1 ZINC000892174153 617526622 /nfs/dbraw/zinc/52/66/22/617526622.db2.gz XXYLDPAQVDAVMT-UHFFFAOYSA-N -1 1 253.302 1.167 20 0 CDADMM COC(=O)c1ccc(C(=O)O[C@H](C)c2nnc(C)[nH]2)[n-]1 ZINC000840577865 617589696 /nfs/dbraw/zinc/58/96/96/617589696.db2.gz PUKRKOYYCBJGKH-ZCFIWIBFSA-N -1 1 278.268 1.146 20 0 CDADMM COC(=O)c1ccc(C(=O)O[C@H](C)c2n[nH]c(C)n2)[n-]1 ZINC000840577865 617589697 /nfs/dbraw/zinc/58/96/97/617589697.db2.gz PUKRKOYYCBJGKH-ZCFIWIBFSA-N -1 1 278.268 1.146 20 0 CDADMM CCCS(=O)(=O)[N-]C(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC000892708699 617619478 /nfs/dbraw/zinc/61/94/78/617619478.db2.gz LBHFNMZGXWBERV-MRVPVSSYSA-N -1 1 285.369 1.004 20 0 CDADMM CCN(CC(=O)NCC(CC)(CC)C(=O)[O-])C1CC1 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/nfs/dbraw/zinc/52/37/18/1163523718.db2.gz RTXNCSFAPPJWIM-UHFFFAOYSA-N -1 1 299.290 1.398 20 0 CDADMM CCCOc1ccc(CNCC(=O)NCC(=O)[O-])c(C)c1 ZINC001605341010 1163531023 /nfs/dbraw/zinc/53/10/23/1163531023.db2.gz UEPCEPFEFLIJON-UHFFFAOYSA-N -1 1 294.351 1.074 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CC2=CCSC2)n1 ZINC001605556657 1163608238 /nfs/dbraw/zinc/60/82/38/1163608238.db2.gz BIZCRQYEIMFPPC-UHFFFAOYSA-N -1 1 289.368 1.075 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CC2=CCSC2)n1 ZINC001605556657 1163608243 /nfs/dbraw/zinc/60/82/43/1163608243.db2.gz BIZCRQYEIMFPPC-UHFFFAOYSA-N -1 1 289.368 1.075 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(Oc2ccc3c[nH]nc3c2)n1 ZINC001605585962 1163616628 /nfs/dbraw/zinc/61/66/28/1163616628.db2.gz YFIVNTSQOCLRMP-UHFFFAOYSA-N -1 1 294.278 1.634 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(Oc2ccc3c[nH]nc3c2)n1 ZINC001605585962 1163616631 /nfs/dbraw/zinc/61/66/31/1163616631.db2.gz YFIVNTSQOCLRMP-UHFFFAOYSA-N -1 1 294.278 1.634 20 0 CDADMM Cc1cc(COC(=O)c2ccnc(-c3nnn[n-]3)c2)co1 ZINC001605666746 1163638468 /nfs/dbraw/zinc/63/84/68/1163638468.db2.gz KDASPYOJHFVERA-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1cc(COC(=O)c2ccnc(-c3nn[n-]n3)c2)co1 ZINC001605666746 1163638474 /nfs/dbraw/zinc/63/84/74/1163638474.db2.gz KDASPYOJHFVERA-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1cc(CNc2cc(-c3nnn[n-]3)ncn2)cc(C)n1 ZINC001605661885 1163639521 /nfs/dbraw/zinc/63/95/21/1163639521.db2.gz NJJVJGLWLRJKBP-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1cc(CNc2cc(-c3nn[n-]n3)ncn2)cc(C)n1 ZINC001605661885 1163639526 /nfs/dbraw/zinc/63/95/26/1163639526.db2.gz NJJVJGLWLRJKBP-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)cn1 ZINC001605823205 1163680337 /nfs/dbraw/zinc/68/03/37/1163680337.db2.gz JORLTRBEESHMGA-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)cn1 ZINC001605823205 1163680339 /nfs/dbraw/zinc/68/03/39/1163680339.db2.gz JORLTRBEESHMGA-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1ccc(N[C@@H]2CO[C@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001605872608 1163699692 /nfs/dbraw/zinc/69/96/92/1163699692.db2.gz ZCRVQDRNSRXGJM-BDAKNGLRSA-N -1 1 260.301 1.159 20 0 CDADMM Cc1ccc(N[C@@H]2CO[C@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001605872608 1163699695 /nfs/dbraw/zinc/69/96/95/1163699695.db2.gz ZCRVQDRNSRXGJM-BDAKNGLRSA-N -1 1 260.301 1.159 20 0 CDADMM Cc1ccnc(N[C@@H]2CCc3c[nH+]cn3C2)c1-c1nn[nH]n1 ZINC001605959163 1163727334 /nfs/dbraw/zinc/72/73/34/1163727334.db2.gz ZPYCVQQLNQTKNQ-SNVBAGLBSA-N -1 1 296.338 1.194 20 0 CDADMM CN(C)Cc1ccsc1C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001606036752 1163751398 /nfs/dbraw/zinc/75/13/98/1163751398.db2.gz ZFHFCBYBOHJQMB-NSHDSACASA-N -1 1 294.376 1.713 20 0 CDADMM Cc1ccccc1CCNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001606074508 1163762991 /nfs/dbraw/zinc/76/29/91/1163762991.db2.gz NVUBXRUVGXBDDZ-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccccc1CCNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001606074508 1163762993 /nfs/dbraw/zinc/76/29/93/1163762993.db2.gz NVUBXRUVGXBDDZ-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ncsc1CCn1cc(-c2nn[n-]n2)ccc1=O ZINC001606104474 1163773284 /nfs/dbraw/zinc/77/32/84/1163773284.db2.gz XKVAMPCUZDDEQX-UHFFFAOYSA-N -1 1 288.336 1.036 20 0 CDADMM Cc1cc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)nn1C ZINC001606169318 1163796056 /nfs/dbraw/zinc/79/60/56/1163796056.db2.gz SMTHYWRZLLITCR-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1cc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)nn1C ZINC001606169318 1163796068 /nfs/dbraw/zinc/79/60/68/1163796068.db2.gz SMTHYWRZLLITCR-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM CN1CC[C@H]2CN(C(=O)c3ccc(C(=O)[O-])s3)C[C@H]21 ZINC001606250405 1163826471 /nfs/dbraw/zinc/82/64/71/1163826471.db2.gz JCNOYWOBOCBTAW-DTWKUNHWSA-N -1 1 280.349 1.222 20 0 CDADMM COC(=O)C1(NC[C@H]2CCCC[C@@H]2C(=O)[O-])CCCC1 ZINC001606353703 1163876280 /nfs/dbraw/zinc/87/62/80/1163876280.db2.gz DSZTVNLKEIBAHK-NEPJUHHUSA-N -1 1 283.368 1.953 20 0 CDADMM O=C(C=Cc1cccs1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606487527 1163914523 /nfs/dbraw/zinc/91/45/23/1163914523.db2.gz SOTNRMUWQPFQGC-SREVYHEPSA-N -1 1 298.331 1.975 20 0 CDADMM O=C(C=Cc1cccs1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606487527 1163914529 /nfs/dbraw/zinc/91/45/29/1163914529.db2.gz SOTNRMUWQPFQGC-SREVYHEPSA-N -1 1 298.331 1.975 20 0 CDADMM COC(=O)NC1CCN(Cc2c[nH]c(C(=O)[O-])c2)CC1 ZINC001606493286 1163915900 /nfs/dbraw/zinc/91/59/00/1163915900.db2.gz AOFGVRBUUSLZAP-UHFFFAOYSA-N -1 1 281.312 1.033 20 0 CDADMM O=C(NC[C@@H]1CCCCS1)c1coc(-c2nnn[n-]2)c1 ZINC001606729282 1163974782 /nfs/dbraw/zinc/97/47/82/1163974782.db2.gz LPGLSIXPVGOVCA-VIFPVBQESA-N -1 1 293.352 1.475 20 0 CDADMM O=C(NC[C@@H]1CCCCS1)c1coc(-c2nn[n-]n2)c1 ZINC001606729282 1163974786 /nfs/dbraw/zinc/97/47/86/1163974786.db2.gz LPGLSIXPVGOVCA-VIFPVBQESA-N -1 1 293.352 1.475 20 0 CDADMM COCC1(NCc2ncc(C(=O)[O-])s2)CCCC1 ZINC001606842902 1164012701 /nfs/dbraw/zinc/01/27/01/1164012701.db2.gz XHDZWBTXRCKQCX-UHFFFAOYSA-N -1 1 270.354 1.890 20 0 CDADMM O=C(N[C@@H]1C[C@H]1C1CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606875710 1164023110 /nfs/dbraw/zinc/02/31/10/1164023110.db2.gz BCOGRAMNMGJRLV-GXSJLCMTSA-N -1 1 287.298 1.534 20 0 CDADMM O=C(N[C@@H]1C[C@H]1C1CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606875710 1164023115 /nfs/dbraw/zinc/02/31/15/1164023115.db2.gz BCOGRAMNMGJRLV-GXSJLCMTSA-N -1 1 287.298 1.534 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CC(C2CC2)C1 ZINC001606940591 1164033816 /nfs/dbraw/zinc/03/38/16/1164033816.db2.gz DBLOJBJJODEGCL-UHFFFAOYSA-N -1 1 285.311 1.135 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CC(C2CC2)C1 ZINC001606940591 1164033820 /nfs/dbraw/zinc/03/38/20/1164033820.db2.gz DBLOJBJJODEGCL-UHFFFAOYSA-N -1 1 285.311 1.135 20 0 CDADMM O=C(OCCCc1cnoc1)c1coc(-c2nnn[n-]2)c1 ZINC001606971747 1164044248 /nfs/dbraw/zinc/04/42/48/1164044248.db2.gz ZROQJVXQTYDRMA-UHFFFAOYSA-N -1 1 289.251 1.237 20 0 CDADMM O=C(OCCCc1cnoc1)c1coc(-c2nn[n-]n2)c1 ZINC001606971747 1164044255 /nfs/dbraw/zinc/04/42/55/1164044255.db2.gz ZROQJVXQTYDRMA-UHFFFAOYSA-N -1 1 289.251 1.237 20 0 CDADMM CO[C@@H]1CCN(Cc2cc(C(=O)[O-])c3n2CCCC3)C1 ZINC001606999207 1164055550 /nfs/dbraw/zinc/05/55/50/1164055550.db2.gz MIMPOTCLHWOKJC-GFCCVEGCSA-N -1 1 278.352 1.743 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H]1C1CCCC1 ZINC001607017600 1164060548 /nfs/dbraw/zinc/06/05/48/1164060548.db2.gz YPINLBMRZNPYNX-ZDUSSCGKSA-N -1 1 298.350 1.666 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H]1C1CCCC1 ZINC001607017600 1164060557 /nfs/dbraw/zinc/06/05/57/1164060557.db2.gz YPINLBMRZNPYNX-ZDUSSCGKSA-N -1 1 298.350 1.666 20 0 CDADMM c1c(N[C@H]2CC23CC3)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001607113714 1164093400 /nfs/dbraw/zinc/09/34/00/1164093400.db2.gz DGTZOISFSMGTAF-VIFPVBQESA-N -1 1 269.312 1.499 20 0 CDADMM c1c(N[C@H]2CC23CC3)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001607113714 1164093405 /nfs/dbraw/zinc/09/34/05/1164093405.db2.gz DGTZOISFSMGTAF-VIFPVBQESA-N -1 1 269.312 1.499 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(SC[C@H]2C[C@]23CCOC3)c1 ZINC001607133623 1164112494 /nfs/dbraw/zinc/11/24/94/1164112494.db2.gz KUWKNAQZLHRVNY-RNCFNFMXSA-N -1 1 289.364 1.780 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(SC[C@H]2C[C@]23CCOC3)c1 ZINC001607133623 1164112499 /nfs/dbraw/zinc/11/24/99/1164112499.db2.gz KUWKNAQZLHRVNY-RNCFNFMXSA-N -1 1 289.364 1.780 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(SCC[C@@H]2CCOC2)c1 ZINC001607133536 1164112553 /nfs/dbraw/zinc/11/25/53/1164112553.db2.gz JTBOSXPYSREDSH-VIFPVBQESA-N -1 1 277.353 1.780 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(SCC[C@@H]2CCOC2)c1 ZINC001607133536 1164112557 /nfs/dbraw/zinc/11/25/57/1164112557.db2.gz JTBOSXPYSREDSH-VIFPVBQESA-N -1 1 277.353 1.780 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@@H]2C[C@H]2C2CCCC2)n1 ZINC001607133465 1164113404 /nfs/dbraw/zinc/11/34/04/1164113404.db2.gz GSNLEGLFJRVARQ-QWRGUYRKSA-N -1 1 285.355 1.895 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@@H]2C[C@H]2C2CCCC2)n1 ZINC001607133465 1164113407 /nfs/dbraw/zinc/11/34/07/1164113407.db2.gz GSNLEGLFJRVARQ-QWRGUYRKSA-N -1 1 285.355 1.895 20 0 CDADMM c1csc(CCNc2ncncc2-c2nn[n-]n2)c1 ZINC001607136527 1164115896 /nfs/dbraw/zinc/11/58/96/1164115896.db2.gz IIURFJLGXHEUTD-UHFFFAOYSA-N -1 1 273.325 1.373 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NC[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC001607138991 1164121010 /nfs/dbraw/zinc/12/10/10/1164121010.db2.gz RIEKWQVDPJWDCG-KXUCPTDWSA-N -1 1 271.328 1.505 20 0 CDADMM COc1cncc(CN2CCC([C@H](O)C(=O)[O-])CC2)c1C ZINC001607354671 1164155144 /nfs/dbraw/zinc/15/51/44/1164155144.db2.gz XMIZCGPJFANOCC-AWEZNQCLSA-N -1 1 294.351 1.056 20 0 CDADMM Cc1c(C(=O)NC2(CC(=O)[O-])CC2)ccc2cncn21 ZINC001607508464 1164212129 /nfs/dbraw/zinc/21/21/29/1164212129.db2.gz UFAVLZIBGMJODW-UHFFFAOYSA-N -1 1 273.292 1.380 20 0 CDADMM Cc1n[nH]c([C@@H]2CCN([C@@H](C)c3nc(C(=O)[O-])co3)C2)n1 ZINC001607952079 1164350596 /nfs/dbraw/zinc/35/05/96/1164350596.db2.gz NDISRIOUDCHKOE-IONNQARKSA-N -1 1 291.311 1.350 20 0 CDADMM Cc1nnc([C@@H]2CCN([C@@H](C)c3nc(C(=O)[O-])co3)C2)[nH]1 ZINC001607952079 1164350601 /nfs/dbraw/zinc/35/06/01/1164350601.db2.gz NDISRIOUDCHKOE-IONNQARKSA-N -1 1 291.311 1.350 20 0 CDADMM O=C(Nc1ccc(-c2nn[nH]n2)cc1)c1cccc([O-])c1F ZINC001626198956 1164353208 /nfs/dbraw/zinc/35/32/08/1164353208.db2.gz XCRAJZYGWDOTRV-UHFFFAOYSA-N -1 1 299.265 1.964 20 0 CDADMM Cc1nnc(SCC(=O)c2cc(C(=O)[O-])co2)[nH]1 ZINC001608017167 1164377584 /nfs/dbraw/zinc/37/75/84/1164377584.db2.gz JZHWAVUJMIGISF-UHFFFAOYSA-N -1 1 267.266 1.379 20 0 CDADMM Cc1n[nH]c(SCC(=O)c2cc(C(=O)[O-])co2)n1 ZINC001608017167 1164377590 /nfs/dbraw/zinc/37/75/90/1164377590.db2.gz JZHWAVUJMIGISF-UHFFFAOYSA-N -1 1 267.266 1.379 20 0 CDADMM Cn1cc(C(=O)[O-])c(NC(=O)c2cc(Cl)ccc2O)n1 ZINC001608100442 1164409171 /nfs/dbraw/zinc/40/91/71/1164409171.db2.gz UFGLXVLHUNVOCT-UHFFFAOYSA-N -1 1 295.682 1.730 20 0 CDADMM O=C([O-])CN1CCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)CC1 ZINC001608749101 1164628570 /nfs/dbraw/zinc/62/85/70/1164628570.db2.gz LWLPQIGZGCCZRY-NWDGAFQWSA-N -1 1 294.376 1.080 20 0 CDADMM O=C([O-])Cn1ncc2ccc(NCc3cnc[nH]3)cc21 ZINC001608800261 1164641212 /nfs/dbraw/zinc/64/12/12/1164641212.db2.gz PXEQWAPTHNZLRM-UHFFFAOYSA-N -1 1 271.280 1.456 20 0 CDADMM O=C([O-])c1cnc(CN[C@@H](CO)CC2CC2)s1 ZINC001608972016 1164697679 /nfs/dbraw/zinc/69/76/79/1164697679.db2.gz HGBKHQSUSVSNCI-MRVPVSSYSA-N -1 1 256.327 1.092 20 0 CDADMM C[C@@H](CO)CSCc1nc(-c2nnn[n-]2)cs1 ZINC001609114417 1164775775 /nfs/dbraw/zinc/77/57/75/1164775775.db2.gz IERGHYITCZWSKD-LURJTMIESA-N -1 1 271.371 1.185 20 0 CDADMM C[C@@H](CO)CSCc1nc(-c2nn[n-]n2)cs1 ZINC001609114417 1164775782 /nfs/dbraw/zinc/77/57/82/1164775782.db2.gz IERGHYITCZWSKD-LURJTMIESA-N -1 1 271.371 1.185 20 0 CDADMM C[C@@H](O)C[C@@H]1CCCCN1c1cccc(-c2nnn[n-]2)n1 ZINC001609129099 1164787420 /nfs/dbraw/zinc/78/74/20/1164787420.db2.gz XYNCCRBMHCZRKL-MNOVXSKESA-N -1 1 288.355 1.392 20 0 CDADMM C[C@@H](O)C[C@@H]1CCCCN1c1cccc(-c2nn[n-]n2)n1 ZINC001609129099 1164787424 /nfs/dbraw/zinc/78/74/24/1164787424.db2.gz XYNCCRBMHCZRKL-MNOVXSKESA-N -1 1 288.355 1.392 20 0 CDADMM C[C@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001609164623 1164810085 /nfs/dbraw/zinc/81/00/85/1164810085.db2.gz UQHLVPKNMVOMAJ-IUCAKERBSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@H]1CN(c2cccnc2-c2nnn[n-]2)CC2(CCC2)O1 ZINC001609176060 1164817444 /nfs/dbraw/zinc/81/74/44/1164817444.db2.gz IDPCPHZQTKTOCV-JTQLQIEISA-N -1 1 286.339 1.410 20 0 CDADMM C[C@H]1CN(c2cccnc2-c2nn[n-]n2)CC2(CCC2)O1 ZINC001609176060 1164817447 /nfs/dbraw/zinc/81/74/47/1164817447.db2.gz IDPCPHZQTKTOCV-JTQLQIEISA-N -1 1 286.339 1.410 20 0 CDADMM CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609199870 1164839252 /nfs/dbraw/zinc/83/92/52/1164839252.db2.gz HPTAUVFQFOHZGD-IUCAKERBSA-N -1 1 275.312 1.863 20 0 CDADMM CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609199870 1164839256 /nfs/dbraw/zinc/83/92/56/1164839256.db2.gz HPTAUVFQFOHZGD-IUCAKERBSA-N -1 1 275.312 1.863 20 0 CDADMM CC[C@H]1CN(c2cc(C)nc(-c3nnn[n-]3)c2)C[C@@H](C)O1 ZINC001609202544 1164842357 /nfs/dbraw/zinc/84/23/57/1164842357.db2.gz KFQJNVNYSLFRHD-PWSUYJOCSA-N -1 1 288.355 1.574 20 0 CDADMM CC[C@H]1CN(c2cc(C)nc(-c3nn[n-]n3)c2)C[C@@H](C)O1 ZINC001609202544 1164842364 /nfs/dbraw/zinc/84/23/64/1164842364.db2.gz KFQJNVNYSLFRHD-PWSUYJOCSA-N -1 1 288.355 1.574 20 0 CDADMM CCc1csc(=O)n1Cc1nc(-c2nnn[n-]2)cs1 ZINC001609254242 1164866609 /nfs/dbraw/zinc/86/66/09/1164866609.db2.gz RMCXXGUPUPENAV-UHFFFAOYSA-N -1 1 294.365 1.157 20 0 CDADMM CCc1csc(=O)n1Cc1nc(-c2nn[n-]n2)cs1 ZINC001609254242 1164866614 /nfs/dbraw/zinc/86/66/14/1164866614.db2.gz RMCXXGUPUPENAV-UHFFFAOYSA-N -1 1 294.365 1.157 20 0 CDADMM Cc1cc(N2CCC[C@](C)(F)C2)cc(-c2nnn[n-]2)n1 ZINC001609405044 1164932014 /nfs/dbraw/zinc/93/20/14/1164932014.db2.gz UBAAXKYBYJGQFP-ZDUSSCGKSA-N -1 1 276.319 1.899 20 0 CDADMM Cc1cc(N2CCC[C@](C)(F)C2)cc(-c2nn[n-]n2)n1 ZINC001609405044 1164932020 /nfs/dbraw/zinc/93/20/20/1164932020.db2.gz UBAAXKYBYJGQFP-ZDUSSCGKSA-N -1 1 276.319 1.899 20 0 CDADMM Cc1ccc(NCCNc2ccccn2)nc1-c1nn[n-]n1 ZINC001609426534 1164942713 /nfs/dbraw/zinc/94/27/13/1164942713.db2.gz YJAGRVWJCMIXTH-UHFFFAOYSA-N -1 1 296.338 1.489 20 0 CDADMM Cc1nsc(NCc2cncc(C)c2)c1-c1nn[n-]n1 ZINC001609441113 1164947144 /nfs/dbraw/zinc/94/71/44/1164947144.db2.gz XOSKIOKBDLPHFJ-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCC1=CCCC1 ZINC001609467597 1164964252 /nfs/dbraw/zinc/96/42/52/1164964252.db2.gz MRNIJAJIBSQVDN-UHFFFAOYSA-N -1 1 287.323 1.998 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCC1=CCCC1 ZINC001609467597 1164964258 /nfs/dbraw/zinc/96/42/58/1164964258.db2.gz MRNIJAJIBSQVDN-UHFFFAOYSA-N -1 1 287.323 1.998 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@H]1C[C@@H]1C ZINC001609467737 1164964295 /nfs/dbraw/zinc/96/42/95/1164964295.db2.gz RPDWLQWGOUQHFB-POYBYMJQSA-N -1 1 261.285 1.154 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@H]1C[C@@H]1C ZINC001609467737 1164964301 /nfs/dbraw/zinc/96/43/01/1164964301.db2.gz RPDWLQWGOUQHFB-POYBYMJQSA-N -1 1 261.285 1.154 20 0 CDADMM O=C(NOC1CCCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC001609560045 1164989469 /nfs/dbraw/zinc/98/94/69/1164989469.db2.gz QYPDPSIJXZMTDX-UHFFFAOYSA-N -1 1 293.352 1.922 20 0 CDADMM O=C(NOC1CCCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC001609560045 1164989481 /nfs/dbraw/zinc/98/94/81/1164989481.db2.gz QYPDPSIJXZMTDX-UHFFFAOYSA-N -1 1 293.352 1.922 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)C(F)=C1CCC1 ZINC001609577901 1164996711 /nfs/dbraw/zinc/99/67/11/1164996711.db2.gz ZGPXHKPNNLWNBI-UHFFFAOYSA-N -1 1 289.270 1.712 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)C(F)=C1CCC1 ZINC001609577901 1164996716 /nfs/dbraw/zinc/99/67/16/1164996716.db2.gz ZGPXHKPNNLWNBI-UHFFFAOYSA-N -1 1 289.270 1.712 20 0 CDADMM c1cc(CNc2cnc(-c3nnn[n-]3)cn2)cc2c1COC2 ZINC001609615803 1165012345 /nfs/dbraw/zinc/01/23/45/1165012345.db2.gz SLJASTWMAKEPHX-UHFFFAOYSA-N -1 1 295.306 1.299 20 0 CDADMM c1cc(CNc2cnc(-c3nn[n-]n3)cn2)cc2c1COC2 ZINC001609615803 1165012353 /nfs/dbraw/zinc/01/23/53/1165012353.db2.gz SLJASTWMAKEPHX-UHFFFAOYSA-N -1 1 295.306 1.299 20 0 CDADMM Cc1cc(C2CCN(c3nccnc3C(=O)[O-])CC2)[nH]n1 ZINC001610457526 1165320104 /nfs/dbraw/zinc/32/01/04/1165320104.db2.gz JOLJZPSTXNCTIW-UHFFFAOYSA-N -1 1 287.323 1.590 20 0 CDADMM Cc1cnn([C@@H]2CC[N@@H+](Cc3ccoc3C(=O)[O-])C2)c1 ZINC001610541414 1165347332 /nfs/dbraw/zinc/34/73/32/1165347332.db2.gz DOYJFZQRDJLVCJ-GFCCVEGCSA-N -1 1 275.308 1.930 20 0 CDADMM Cc1nccc(CN(CCC(=O)[O-])C[C@H]2CCCO2)n1 ZINC001610563729 1165356984 /nfs/dbraw/zinc/35/69/84/1165356984.db2.gz DYBJYTNMXVXZIR-CYBMUJFWSA-N -1 1 279.340 1.241 20 0 CDADMM O=C(CCc1nnc(-c2ccccc2)o1)Nc1c[n-][nH]c1=O ZINC001611374035 1165491005 /nfs/dbraw/zinc/49/10/05/1165491005.db2.gz KVGDXSCMJKTKOZ-UHFFFAOYSA-N -1 1 299.290 1.737 20 0 CDADMM Cc1cc2ccc(C(=O)N(C)C[C@@H](C)c3nn[n-]n3)cn2c1 ZINC001633482810 1166425190 /nfs/dbraw/zinc/42/51/90/1166425190.db2.gz KCOVNHVULHZEKS-LLVKDONJSA-N -1 1 298.350 1.637 20 0 CDADMM COc1cncc(C(=O)[N-]c2nc(-c3ccccc3)no2)n1 ZINC001638268199 1166833079 /nfs/dbraw/zinc/83/30/79/1166833079.db2.gz TXJKFLZFKFALGO-UHFFFAOYSA-N -1 1 297.274 1.788 20 0 CDADMM CSc1cc(C(=O)Nc2c[n-][nH]c2=O)ccn1 ZINC001638735768 1166868325 /nfs/dbraw/zinc/86/83/25/1166868325.db2.gz YGMUKVQSOXZQRE-UHFFFAOYSA-N -1 1 250.283 1.485 20 0 CDADMM CCOC(=O)C(C)(C)NC(=O)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155269632 1167111047 /nfs/dbraw/zinc/11/10/47/1167111047.db2.gz MYEPGCNFWVJISM-UHFFFAOYSA-N -1 1 291.307 1.340 20 0 CDADMM Cn1cnc([N-]C(=O)c2cc3n[nH]cc3s2)c2ncnc1-2 ZINC001155545851 1167224678 /nfs/dbraw/zinc/22/46/78/1167224678.db2.gz DOLRTYZMZKFBGP-UHFFFAOYSA-N -1 1 299.319 1.505 20 0 CDADMM CC(C)c1n[nH]c(NC(=O)c2ccc(C(=O)[O-])n2C)n1 ZINC001609722538 1167948429 /nfs/dbraw/zinc/94/84/29/1167948429.db2.gz MHAPTJKDBYSXGW-UHFFFAOYSA-N -1 1 277.284 1.217 20 0 CDADMM CC(C)c1nc(NC(=O)c2ccc(C(=O)[O-])n2C)n[nH]1 ZINC001609722538 1167948433 /nfs/dbraw/zinc/94/84/33/1167948433.db2.gz MHAPTJKDBYSXGW-UHFFFAOYSA-N -1 1 277.284 1.217 20 0 CDADMM CN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC001646988919 1168326691 /nfs/dbraw/zinc/32/66/91/1168326691.db2.gz PWRXRFMBEOQFEE-SNVBAGLBSA-N -1 1 294.326 1.472 20 0 CDADMM CCN[C@H](C)c1nc(-c2ccc(OCC(=O)[O-])cc2)no1 ZINC001647330582 1168566269 /nfs/dbraw/zinc/56/62/69/1168566269.db2.gz XWNGTQYMVRWSDC-SECBINFHSA-N -1 1 291.307 1.871 20 0 CDADMM C[C@H]1CC[N@@H+](CC(=O)N[C@H](C(=O)[O-])C2CCCCCC2)C1 ZINC001573646594 1170720064 /nfs/dbraw/zinc/72/00/64/1170720064.db2.gz SGYQHLNPTGICKV-WFASDCNBSA-N -1 1 296.411 1.868 20 0 CDADMM C[C@H]1CCN(CC(=O)N[C@H](C(=O)[O-])C2CCCCCC2)C1 ZINC001573646594 1170720068 /nfs/dbraw/zinc/72/00/68/1170720068.db2.gz SGYQHLNPTGICKV-WFASDCNBSA-N -1 1 296.411 1.868 20 0 CDADMM CN(CC(=O)[O-])C(=O)C[N@H+]1CCC[C@@H](C2CCCC2)C1 ZINC001573864529 1170809631 /nfs/dbraw/zinc/80/96/31/1170809631.db2.gz IHBOVLUQZMVDPD-CYBMUJFWSA-N -1 1 282.384 1.432 20 0 CDADMM Cc1[nH]c(CN2CC(C)(C)[C@H]3COC[C@H]32)cc1C(=O)[O-] ZINC001574110440 1170881908 /nfs/dbraw/zinc/88/19/08/1170881908.db2.gz FBWFNJHVVONWSG-QWHCGFSZSA-N -1 1 278.352 1.878 20 0 CDADMM Cn1ccc(NC(=O)c2cccc(F)c2O)c1C(=O)[O-] ZINC001574224246 1170923452 /nfs/dbraw/zinc/92/34/52/1170923452.db2.gz FXIGDURKMKGYEP-UHFFFAOYSA-N -1 1 278.239 1.820 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)[C@H]1CC(=O)c2ccccc21 ZINC001651044555 1171281646 /nfs/dbraw/zinc/28/16/46/1171281646.db2.gz OPAGWWMUFISLGM-VIFPVBQESA-N -1 1 257.249 1.424 20 0 CDADMM Clc1cnc(Cn2cc(-c3nn[n-]n3)nn2)c(Cl)c1 ZINC001581745987 1172619903 /nfs/dbraw/zinc/61/99/03/1172619903.db2.gz ZVOAYJCFNQDDPW-UHFFFAOYSA-N -1 1 297.109 1.208 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc(CF)cc1 ZINC001582649552 1172686705 /nfs/dbraw/zinc/68/67/05/1172686705.db2.gz APCLVQFAVGWFPN-UHFFFAOYSA-N -1 1 287.258 1.312 20 0 CDADMM COc1ccc2nc(C)c(C(=O)N(C)c3nn[n-]n3)cc2c1 ZINC001586262423 1172938594 /nfs/dbraw/zinc/93/85/94/1172938594.db2.gz QUYJJIUAOSZQAS-UHFFFAOYSA-N -1 1 298.306 1.342 20 0 CDADMM CCC[C@H](NC(=O)c1cc2ncccc2o1)c1nn[n-]n1 ZINC001587597220 1172992069 /nfs/dbraw/zinc/99/20/69/1172992069.db2.gz GVLRJBUMLHSDFB-QMMMGPOBSA-N -1 1 286.295 1.612 20 0 CDADMM C1=C(c2ccccc2)CN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588389180 1173058450 /nfs/dbraw/zinc/05/84/50/1173058450.db2.gz QBYHUZPITWSYBN-UHFFFAOYSA-N -1 1 291.318 1.560 20 0 CDADMM C1=C(c2ccccc2)CN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588389180 1173058455 /nfs/dbraw/zinc/05/84/55/1173058455.db2.gz QBYHUZPITWSYBN-UHFFFAOYSA-N -1 1 291.318 1.560 20 0 CDADMM C[C@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccsc1 ZINC001589011565 1173119319 /nfs/dbraw/zinc/11/93/19/1173119319.db2.gz DPXVNHOGCMJPRG-LURJTMIESA-N -1 1 289.324 1.394 20 0 CDADMM C[C@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccsc1 ZINC001589011565 1173119321 /nfs/dbraw/zinc/11/93/21/1173119321.db2.gz DPXVNHOGCMJPRG-LURJTMIESA-N -1 1 289.324 1.394 20 0 CDADMM CC(C)[C@H]1CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001589509417 1173153812 /nfs/dbraw/zinc/15/38/12/1173153812.db2.gz QBWNZSQSBNKHRL-NSHDSACASA-N -1 1 286.339 1.380 20 0 CDADMM CC(C)[C@H]1CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001589509417 1173153814 /nfs/dbraw/zinc/15/38/14/1173153814.db2.gz QBWNZSQSBNKHRL-NSHDSACASA-N -1 1 286.339 1.380 20 0 CDADMM CC(C)[C@H]1CN(c2cc(-c3nnn[n-]3)ncn2)[C@H]1C(C)C ZINC001589517775 1173153944 /nfs/dbraw/zinc/15/39/44/1173153944.db2.gz OLFMDFPJQYRQMG-MFKMUULPSA-N -1 1 287.371 1.774 20 0 CDADMM CC(C)[C@H]1CN(c2cc(-c3nn[n-]n3)ncn2)[C@H]1C(C)C ZINC001589517775 1173153948 /nfs/dbraw/zinc/15/39/48/1173153948.db2.gz OLFMDFPJQYRQMG-MFKMUULPSA-N -1 1 287.371 1.774 20 0 CDADMM CC(C)CONC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001589647184 1173166054 /nfs/dbraw/zinc/16/60/54/1173166054.db2.gz DCRDHUHDIQSZFJ-UHFFFAOYSA-N -1 1 279.275 1.323 20 0 CDADMM CC(C)CONC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001589647184 1173166057 /nfs/dbraw/zinc/16/60/57/1173166057.db2.gz DCRDHUHDIQSZFJ-UHFFFAOYSA-N -1 1 279.275 1.323 20 0 CDADMM CC(C)N(C)C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001589674125 1173168106 /nfs/dbraw/zinc/16/81/06/1173168106.db2.gz SELKBEWHMXPMQQ-UHFFFAOYSA-N -1 1 263.276 1.486 20 0 CDADMM CC(C)N(C)C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001589674125 1173168110 /nfs/dbraw/zinc/16/81/10/1173168110.db2.gz SELKBEWHMXPMQQ-UHFFFAOYSA-N -1 1 263.276 1.486 20 0 CDADMM C[C@H](COC(=O)c1ccc(-c2nn[n-]n2)o1)C(F)(F)F ZINC001589884087 1173196082 /nfs/dbraw/zinc/19/60/82/1173196082.db2.gz KEMRFTXKJZTBIZ-RXMQYKEDSA-N -1 1 290.201 1.815 20 0 CDADMM C/C(Cl)=C\C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001589905269 1173200681 /nfs/dbraw/zinc/20/06/81/1173200681.db2.gz WFLFVVYCVZQTDF-FNORWQNLSA-N -1 1 279.687 1.419 20 0 CDADMM CC1(C)CC(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590078398 1173246092 /nfs/dbraw/zinc/24/60/92/1173246092.db2.gz FKHUHPJDIDFCCY-UHFFFAOYSA-N -1 1 286.339 1.314 20 0 CDADMM CC1(C)CC(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590078398 1173246098 /nfs/dbraw/zinc/24/60/98/1173246098.db2.gz FKHUHPJDIDFCCY-UHFFFAOYSA-N -1 1 286.339 1.314 20 0 CDADMM CC1(C)C[C@H]1CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590087792 1173251771 /nfs/dbraw/zinc/25/17/71/1173251771.db2.gz LPBKQMFJHLYBIA-QMMMGPOBSA-N -1 1 272.312 1.038 20 0 CDADMM CC1(C)C[C@H]1CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590087792 1173251775 /nfs/dbraw/zinc/25/17/75/1173251775.db2.gz LPBKQMFJHLYBIA-QMMMGPOBSA-N -1 1 272.312 1.038 20 0 CDADMM CC1(C)CC[C@H]1OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590093411 1173254618 /nfs/dbraw/zinc/25/46/18/1173254618.db2.gz QFWHCFPBSOWKJC-SNVBAGLBSA-N -1 1 273.296 1.607 20 0 CDADMM CC1(C)CC[C@H]1OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590093411 1173254626 /nfs/dbraw/zinc/25/46/26/1173254626.db2.gz QFWHCFPBSOWKJC-SNVBAGLBSA-N -1 1 273.296 1.607 20 0 CDADMM CC1(C)CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001590097046 1173256829 /nfs/dbraw/zinc/25/68/29/1173256829.db2.gz SDJMCSIUQNFCPP-VIFPVBQESA-N -1 1 273.344 1.317 20 0 CDADMM C[C@]1(CNC(=O)c2ccsc2-c2nn[n-]n2)CCCO1 ZINC001590132893 1173268271 /nfs/dbraw/zinc/26/82/71/1173268271.db2.gz WMTJRXXMASPWMI-GFCCVEGCSA-N -1 1 293.352 1.227 20 0 CDADMM C[C@]1(CNC(=O)c2ccsc2-c2nnn[n-]2)CCCO1 ZINC001590132893 1173268265 /nfs/dbraw/zinc/26/82/65/1173268265.db2.gz WMTJRXXMASPWMI-GFCCVEGCSA-N -1 1 293.352 1.227 20 0 CDADMM Cc1[nH]nc(NC(=O)C2=C(C)CCC2)c1-c1nn[n-]n1 ZINC001590155584 1173274625 /nfs/dbraw/zinc/27/46/25/1173274625.db2.gz NYPKYDDCQZPDLP-UHFFFAOYSA-N -1 1 273.300 1.337 20 0 CDADMM C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001590187036 1173280564 /nfs/dbraw/zinc/28/05/64/1173280564.db2.gz GGJJFLVQUUSJPV-DTORHVGOSA-N -1 1 275.312 1.578 20 0 CDADMM C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590187036 1173280568 /nfs/dbraw/zinc/28/05/68/1173280568.db2.gz GGJJFLVQUUSJPV-DTORHVGOSA-N -1 1 275.312 1.578 20 0 CDADMM CC1CC(COC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590192390 1173287943 /nfs/dbraw/zinc/28/79/43/1173287943.db2.gz JIZFSEXBSGRVDI-UHFFFAOYSA-N -1 1 262.269 1.663 20 0 CDADMM C[C@@H]1C[C@H]1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590216782 1173294293 /nfs/dbraw/zinc/29/42/93/1173294293.db2.gz YVAPPNAWGOUMBG-HTRCEHHLSA-N -1 1 293.277 1.417 20 0 CDADMM C[C@@H]1C[C@H]1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590216782 1173294301 /nfs/dbraw/zinc/29/43/01/1173294301.db2.gz YVAPPNAWGOUMBG-HTRCEHHLSA-N -1 1 293.277 1.417 20 0 CDADMM C[C@H]1CCCC[C@@H]1Cn1cccc(-c2nn[n-]n2)c1=O ZINC001590255251 1173323596 /nfs/dbraw/zinc/32/35/96/1173323596.db2.gz ZYWRYJSLQAQRBQ-WDEREUQCSA-N -1 1 273.340 1.855 20 0 CDADMM C[C@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001590262368 1173325990 /nfs/dbraw/zinc/32/59/90/1173325990.db2.gz VIQAJQBGWFYSEB-VIFPVBQESA-N -1 1 259.317 1.283 20 0 CDADMM C[C@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001590262368 1173325996 /nfs/dbraw/zinc/32/59/96/1173325996.db2.gz VIQAJQBGWFYSEB-VIFPVBQESA-N -1 1 259.317 1.283 20 0 CDADMM C[C@@H]1COCC[C@@H]1OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590325905 1173356720 /nfs/dbraw/zinc/35/67/20/1173356720.db2.gz VMBZNQQCXAHDES-SFYZADRCSA-N -1 1 278.268 1.042 20 0 CDADMM CC[C@@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC001590474827 1173429270 /nfs/dbraw/zinc/42/92/70/1173429270.db2.gz OLHKJIKEWKPHCP-KOLCDFICSA-N -1 1 289.343 1.335 20 0 CDADMM CC[C@@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001590474827 1173429281 /nfs/dbraw/zinc/42/92/81/1173429281.db2.gz OLHKJIKEWKPHCP-KOLCDFICSA-N -1 1 289.343 1.335 20 0 CDADMM CC[C@@]1(C)CN(c2nc(-c3nnn[n-]3)ccc2C)CCO1 ZINC001590490780 1173434427 /nfs/dbraw/zinc/43/44/27/1173434427.db2.gz TVLGGUOKHWAQSH-AWEZNQCLSA-N -1 1 288.355 1.575 20 0 CDADMM CC[C@@]1(C)CN(c2nc(-c3nn[n-]n3)ccc2C)CCO1 ZINC001590490780 1173434430 /nfs/dbraw/zinc/43/44/30/1173434430.db2.gz TVLGGUOKHWAQSH-AWEZNQCLSA-N -1 1 288.355 1.575 20 0 CDADMM CCC1(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)CC1 ZINC001590498321 1173437115 /nfs/dbraw/zinc/43/71/15/1173437115.db2.gz PAVVVJHKBPWXEZ-UHFFFAOYSA-N -1 1 292.730 1.588 20 0 CDADMM CC[C@@H]1CCN(Cn2ccc(C)c(-c3nnn[n-]3)c2=O)C1 ZINC001590515145 1173446447 /nfs/dbraw/zinc/44/64/47/1173446447.db2.gz XNYIRCRUOLKFJX-LLVKDONJSA-N -1 1 288.355 1.026 20 0 CDADMM CCCN(c1cc(-c2nnn[n-]2)nc(CC)n1)C1CC1 ZINC001590632618 1173477840 /nfs/dbraw/zinc/47/78/40/1173477840.db2.gz UUAGGHGEUHGPOA-UHFFFAOYSA-N -1 1 273.344 1.598 20 0 CDADMM CCCN(c1cc(-c2nn[n-]n2)nc(CC)n1)C1CC1 ZINC001590632618 1173477844 /nfs/dbraw/zinc/47/78/44/1173477844.db2.gz UUAGGHGEUHGPOA-UHFFFAOYSA-N -1 1 273.344 1.598 20 0 CDADMM CCN(Cc1nc(-c2nnn[n-]2)cs1)c1cnn(C)c1 ZINC001590722964 1173500150 /nfs/dbraw/zinc/50/01/50/1173500150.db2.gz XFQCTWYERGFKHY-UHFFFAOYSA-N -1 1 290.356 1.083 20 0 CDADMM CCOC(CCNc1ccnc(-c2nnn[n-]2)c1)OCC ZINC001590783725 1173510563 /nfs/dbraw/zinc/51/05/63/1173510563.db2.gz GNJZXKVSWZJBJQ-UHFFFAOYSA-N -1 1 292.343 1.463 20 0 CDADMM CCOC[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590816815 1173519030 /nfs/dbraw/zinc/51/90/30/1173519030.db2.gz CRRMQULUDOSBDC-SSDOTTSWSA-N -1 1 266.257 1.042 20 0 CDADMM CCc1cc(Oc2cccnc2-c2nnn[n-]2)nc(C)n1 ZINC001590883243 1173536030 /nfs/dbraw/zinc/53/60/30/1173536030.db2.gz HCAMMPFQYDTOJG-UHFFFAOYSA-N -1 1 283.295 1.715 20 0 CDADMM CCc1cc(Oc2cccnc2-c2nn[n-]n2)nc(C)n1 ZINC001590883243 1173536033 /nfs/dbraw/zinc/53/60/33/1173536033.db2.gz HCAMMPFQYDTOJG-UHFFFAOYSA-N -1 1 283.295 1.715 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2[C@H](C)CC[C@@H]2CC)n1 ZINC001590905067 1173538228 /nfs/dbraw/zinc/53/82/28/1173538228.db2.gz PKSGGRSWTBZARK-ZJUUUORDSA-N -1 1 287.371 1.986 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2[C@H](C)CC[C@@H]2CC)n1 ZINC001590905067 1173538234 /nfs/dbraw/zinc/53/82/34/1173538234.db2.gz PKSGGRSWTBZARK-ZJUUUORDSA-N -1 1 287.371 1.986 20 0 CDADMM CCc1nc(N[C@@H]2COCC2(C)C)cc(-c2nnn[n-]2)n1 ZINC001590916891 1173542195 /nfs/dbraw/zinc/54/21/95/1173542195.db2.gz XGRXAYPTISVUJO-SECBINFHSA-N -1 1 289.343 1.056 20 0 CDADMM CCc1nc(N[C@@H]2COCC2(C)C)cc(-c2nn[n-]n2)n1 ZINC001590916891 1173542202 /nfs/dbraw/zinc/54/22/02/1173542202.db2.gz XGRXAYPTISVUJO-SECBINFHSA-N -1 1 289.343 1.056 20 0 CDADMM CCn1cc(COC(=O)c2coc(-c3nnn[n-]3)c2)cn1 ZINC001590954288 1173549430 /nfs/dbraw/zinc/54/94/30/1173549430.db2.gz UKALIKQGTJFUCV-UHFFFAOYSA-N -1 1 288.267 1.033 20 0 CDADMM CCn1cc(COC(=O)c2coc(-c3nn[n-]n3)c2)cn1 ZINC001590954288 1173549435 /nfs/dbraw/zinc/54/94/35/1173549435.db2.gz UKALIKQGTJFUCV-UHFFFAOYSA-N -1 1 288.267 1.033 20 0 CDADMM CCn1ccnc1Sc1cc(-c2nnn[n-]2)ncn1 ZINC001590962208 1173551703 /nfs/dbraw/zinc/55/17/03/1173551703.db2.gz XGBIJDIJVPMBCI-UHFFFAOYSA-N -1 1 274.313 1.024 20 0 CDADMM CCn1ccnc1Sc1cc(-c2nn[n-]n2)ncn1 ZINC001590962208 1173551711 /nfs/dbraw/zinc/55/17/11/1173551711.db2.gz XGBIJDIJVPMBCI-UHFFFAOYSA-N -1 1 274.313 1.024 20 0 CDADMM CN(CC(F)F)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591043800 1173565305 /nfs/dbraw/zinc/56/53/05/1173565305.db2.gz HSTHKGMHCNUIFN-UHFFFAOYSA-N -1 1 273.268 1.265 20 0 CDADMM CN(CC(=O)OC(C)(C)C)c1cccnc1-c1nnn[n-]1 ZINC001591039009 1173566261 /nfs/dbraw/zinc/56/62/61/1173566261.db2.gz KODKLZNALRUPKZ-UHFFFAOYSA-N -1 1 290.327 1.040 20 0 CDADMM CN(CC(=O)OC(C)(C)C)c1cccnc1-c1nn[n-]n1 ZINC001591039009 1173566271 /nfs/dbraw/zinc/56/62/71/1173566271.db2.gz KODKLZNALRUPKZ-UHFFFAOYSA-N -1 1 290.327 1.040 20 0 CDADMM CN(C[C@H]1CC=CCC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001591054437 1173568636 /nfs/dbraw/zinc/56/86/36/1173568636.db2.gz GNFMVMMMUCPELT-JTQLQIEISA-N -1 1 271.328 1.449 20 0 CDADMM CN(C[C@H]1CC=CCC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001591054437 1173568638 /nfs/dbraw/zinc/56/86/38/1173568638.db2.gz GNFMVMMMUCPELT-JTQLQIEISA-N -1 1 271.328 1.449 20 0 CDADMM COC(=O)/C=C(/C)COc1cccc(F)c1-c1nnn[n-]1 ZINC001591257956 1173595049 /nfs/dbraw/zinc/59/50/49/1173595049.db2.gz ZERYPHODBZNUED-VURMDHGXSA-N -1 1 292.270 1.504 20 0 CDADMM COC(=O)/C=C(/C)COc1cccc(F)c1-c1nn[n-]n1 ZINC001591257956 1173595054 /nfs/dbraw/zinc/59/50/54/1173595054.db2.gz ZERYPHODBZNUED-VURMDHGXSA-N -1 1 292.270 1.504 20 0 CDADMM COC(=O)c1ccc(N2CCCCC2)c(-c2nnn[n-]2)n1 ZINC001591294490 1173598269 /nfs/dbraw/zinc/59/82/69/1173598269.db2.gz IFYOQOOSALACQD-UHFFFAOYSA-N -1 1 288.311 1.039 20 0 CDADMM COC(=O)c1ccc(N2CCCCC2)c(-c2nn[n-]n2)n1 ZINC001591294490 1173598274 /nfs/dbraw/zinc/59/82/74/1173598274.db2.gz IFYOQOOSALACQD-UHFFFAOYSA-N -1 1 288.311 1.039 20 0 CDADMM COCCn1cc(-c2sc(-c3nn[nH]n3)nc2C)cn1 ZINC001591448367 1173651427 /nfs/dbraw/zinc/65/14/27/1173651427.db2.gz AZLJEPDDLCJBLP-UHFFFAOYSA-N -1 1 291.340 1.142 20 0 CDADMM COCCn1cc(-c2sc(-c3nn[n-]n3)nc2C)cn1 ZINC001591448367 1173651431 /nfs/dbraw/zinc/65/14/31/1173651431.db2.gz AZLJEPDDLCJBLP-UHFFFAOYSA-N -1 1 291.340 1.142 20 0 CDADMM COc1ncc(NC(=O)c2c[nH]cc2C)cc1-c1nn[n-]n1 ZINC001591667477 1173679568 /nfs/dbraw/zinc/67/95/68/1173679568.db2.gz OAPLIHAGTSZCOI-UHFFFAOYSA-N -1 1 299.294 1.159 20 0 CDADMM C[C@@H](CF)NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001591722504 1173692388 /nfs/dbraw/zinc/69/23/88/1173692388.db2.gz OQSTTXZTLBYEMK-ZETCQYMHSA-N -1 1 288.286 1.436 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H](C)C(C)C)n1 ZINC001591883123 1173735462 /nfs/dbraw/zinc/73/54/62/1173735462.db2.gz UBROIUUHCWWJFH-VIFPVBQESA-N -1 1 261.333 1.446 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H](C)C(C)C)n1 ZINC001591883123 1173735469 /nfs/dbraw/zinc/73/54/69/1173735469.db2.gz UBROIUUHCWWJFH-VIFPVBQESA-N -1 1 261.333 1.446 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]2c2cc[nH]n2)n1 ZINC001591888634 1173738525 /nfs/dbraw/zinc/73/85/25/1173738525.db2.gz MTUNHIOSBFCWQX-LLVKDONJSA-N -1 1 297.326 1.030 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]2c2cc[nH]n2)n1 ZINC001591888634 1173738531 /nfs/dbraw/zinc/73/85/31/1173738531.db2.gz MTUNHIOSBFCWQX-LLVKDONJSA-N -1 1 297.326 1.030 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](C)[C@H](C)C2)n1 ZINC001591884948 1173738724 /nfs/dbraw/zinc/73/87/24/1173738724.db2.gz HYHLXVIFVUFSHS-RKDXNWHRSA-N -1 1 273.344 1.447 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](C)[C@H](C)C2)n1 ZINC001591884948 1173738728 /nfs/dbraw/zinc/73/87/28/1173738728.db2.gz HYHLXVIFVUFSHS-RKDXNWHRSA-N -1 1 273.344 1.447 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2C[C@H]3CCC[C@@H]32)n1 ZINC001591892754 1173742608 /nfs/dbraw/zinc/74/26/08/1173742608.db2.gz LQWDZBSKKIMRCP-KXUCPTDWSA-N -1 1 271.328 1.566 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2C[C@H]3CCC[C@@H]32)n1 ZINC001591892754 1173742612 /nfs/dbraw/zinc/74/26/12/1173742612.db2.gz LQWDZBSKKIMRCP-KXUCPTDWSA-N -1 1 271.328 1.566 20 0 CDADMM Cc1cc(F)c(-c2nn[n-]n2)c(SCCO)c1 ZINC001591982505 1173768067 /nfs/dbraw/zinc/76/80/67/1173768067.db2.gz KFQPFBOWEDBSGG-UHFFFAOYSA-N -1 1 254.290 1.399 20 0 CDADMM Cc1cc(N(C)C(=O)c2cccc(-c3nnn[n-]3)n2)ccn1 ZINC001591995970 1173768106 /nfs/dbraw/zinc/76/81/06/1173768106.db2.gz QMCDSWHRZWOBQW-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM Cc1cc(N(C)C(=O)c2cccc(-c3nn[n-]n3)n2)ccn1 ZINC001591995970 1173768110 /nfs/dbraw/zinc/76/81/10/1173768110.db2.gz QMCDSWHRZWOBQW-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM Cc1cc(N2CC[C@]3(CCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001592004668 1173772054 /nfs/dbraw/zinc/77/20/54/1173772054.db2.gz PCAKXNWQWJBXHQ-AWEZNQCLSA-N -1 1 286.339 1.187 20 0 CDADMM Cc1cc(N2CC[C@]3(CCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001592004668 1173772057 /nfs/dbraw/zinc/77/20/57/1173772057.db2.gz PCAKXNWQWJBXHQ-AWEZNQCLSA-N -1 1 286.339 1.187 20 0 CDADMM Cc1cc(NC(=O)c2ccsc2-c2nnn[n-]2)ccn1 ZINC001592030736 1173776404 /nfs/dbraw/zinc/77/64/04/1173776404.db2.gz DFTRBTWYOKYACQ-UHFFFAOYSA-N -1 1 286.320 1.306 20 0 CDADMM Cc1cc(NC(=O)c2ccsc2-c2nn[n-]n2)ccn1 ZINC001592030736 1173776408 /nfs/dbraw/zinc/77/64/08/1173776408.db2.gz DFTRBTWYOKYACQ-UHFFFAOYSA-N -1 1 286.320 1.306 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCC1CCOCC1 ZINC001592113846 1173806411 /nfs/dbraw/zinc/80/64/11/1173806411.db2.gz LIAPQRDUCCULPW-UHFFFAOYSA-N -1 1 274.328 1.409 20 0 CDADMM Cc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)cc1F ZINC001592130354 1173810400 /nfs/dbraw/zinc/81/04/00/1173810400.db2.gz KSVVFVBKFMIFBQ-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)cc1F ZINC001592130354 1173810406 /nfs/dbraw/zinc/81/04/06/1173810406.db2.gz KSVVFVBKFMIFBQ-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1ccc(CN(C)c2nccnc2-c2nnn[n-]2)cc1C ZINC001592152107 1173810942 /nfs/dbraw/zinc/81/09/42/1173810942.db2.gz DQADOQQASVOAFL-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccc(CN(C)c2nccnc2-c2nn[n-]n2)cc1C ZINC001592152107 1173810948 /nfs/dbraw/zinc/81/09/48/1173810948.db2.gz DQADOQQASVOAFL-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1ccc(C)nc1 ZINC001592162277 1173819480 /nfs/dbraw/zinc/81/94/80/1173819480.db2.gz XKOOZOHUHMSSRF-UHFFFAOYSA-N -1 1 298.306 1.402 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1ccc(C)nc1 ZINC001592162277 1173819484 /nfs/dbraw/zinc/81/94/84/1173819484.db2.gz XKOOZOHUHMSSRF-UHFFFAOYSA-N -1 1 298.306 1.402 20 0 CDADMM Cc1ccc(F)c(CCNc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001592173757 1173823013 /nfs/dbraw/zinc/82/30/13/1173823013.db2.gz MXDWXBHRZMFJBI-UHFFFAOYSA-N -1 1 299.313 1.759 20 0 CDADMM Cc1ccc(F)c(CCNc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001592173757 1173823016 /nfs/dbraw/zinc/82/30/16/1173823016.db2.gz MXDWXBHRZMFJBI-UHFFFAOYSA-N -1 1 299.313 1.759 20 0 CDADMM Cc1ccc(N2CCCOC(C)(C)C2)c(-c2nnn[n-]2)n1 ZINC001592177132 1173824339 /nfs/dbraw/zinc/82/43/39/1173824339.db2.gz SPCBZKYRQLKESX-UHFFFAOYSA-N -1 1 288.355 1.575 20 0 CDADMM Cc1ccc(N2CCCOC(C)(C)C2)c(-c2nn[n-]n2)n1 ZINC001592177132 1173824348 /nfs/dbraw/zinc/82/43/48/1173824348.db2.gz SPCBZKYRQLKESX-UHFFFAOYSA-N -1 1 288.355 1.575 20 0 CDADMM Cc1ccc(N2CCC[C@H]([C@@H](C)O)C2)c(-c2nnn[n-]2)n1 ZINC001592177810 1173824952 /nfs/dbraw/zinc/82/49/52/1173824952.db2.gz KPAQQZNYZPYTHG-MNOVXSKESA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(N2CCC[C@H]([C@@H](C)O)C2)c(-c2nn[n-]n2)n1 ZINC001592177810 1173824954 /nfs/dbraw/zinc/82/49/54/1173824954.db2.gz KPAQQZNYZPYTHG-MNOVXSKESA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(N[C@@H](C)C2(CO)CC2)nc1-c1nnn[n-]1 ZINC001592184869 1173828032 /nfs/dbraw/zinc/82/80/32/1173828032.db2.gz XEFHGTNUYBPILG-VIFPVBQESA-N -1 1 274.328 1.143 20 0 CDADMM Cc1ccc(N[C@@H](C)C2(CO)CC2)nc1-c1nn[n-]n1 ZINC001592184869 1173828035 /nfs/dbraw/zinc/82/80/35/1173828035.db2.gz XEFHGTNUYBPILG-VIFPVBQESA-N -1 1 274.328 1.143 20 0 CDADMM Cc1ccc(NCCCc2cnn(C)c2)c(-c2nnn[n-]2)n1 ZINC001592186121 1173830831 /nfs/dbraw/zinc/83/08/31/1173830831.db2.gz QLXQYTMSNWGNEG-UHFFFAOYSA-N -1 1 298.354 1.348 20 0 CDADMM Cc1ccc(NCCCc2cnn(C)c2)c(-c2nn[n-]n2)n1 ZINC001592186121 1173830837 /nfs/dbraw/zinc/83/08/37/1173830837.db2.gz QLXQYTMSNWGNEG-UHFFFAOYSA-N -1 1 298.354 1.348 20 0 CDADMM Cc1ccccc1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001592250456 1173834979 /nfs/dbraw/zinc/83/49/79/1173834979.db2.gz VMHROSRRZRNLPL-UHFFFAOYSA-N -1 1 283.295 1.161 20 0 CDADMM Cc1ccccc1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001592250456 1173834984 /nfs/dbraw/zinc/83/49/84/1173834984.db2.gz VMHROSRRZRNLPL-UHFFFAOYSA-N -1 1 283.295 1.161 20 0 CDADMM Cc1cccc2c1CN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001592244955 1173836721 /nfs/dbraw/zinc/83/67/21/1173836721.db2.gz SVDOHCMPUOOLGF-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM Cc1cccc2c1CN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001592244955 1173836725 /nfs/dbraw/zinc/83/67/25/1173836725.db2.gz SVDOHCMPUOOLGF-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM Cc1cnc(Oc2cccnc2-c2nnn[n-]2)nc1 ZINC001592294445 1173849035 /nfs/dbraw/zinc/84/90/35/1173849035.db2.gz DQCFKPBXRXOOQW-UHFFFAOYSA-N -1 1 255.241 1.152 20 0 CDADMM Cc1cnc(Oc2cccnc2-c2nn[n-]n2)nc1 ZINC001592294445 1173849040 /nfs/dbraw/zinc/84/90/40/1173849040.db2.gz DQCFKPBXRXOOQW-UHFFFAOYSA-N -1 1 255.241 1.152 20 0 CDADMM Cc1cocc1C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001592309917 1173852844 /nfs/dbraw/zinc/85/28/44/1173852844.db2.gz KOLTXJDDUZRBGU-UHFFFAOYSA-N -1 1 273.256 1.052 20 0 CDADMM Cc1[nH]nc(NC(=O)c2occ3c2CCC3)c1-c1nn[n-]n1 ZINC001592330479 1173857406 /nfs/dbraw/zinc/85/74/06/1173857406.db2.gz HPHBRVRBCNNDBT-UHFFFAOYSA-N -1 1 299.294 1.232 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@@H]2C[C@H]2CC(C)C)c1-c1nn[n-]n1 ZINC001592329953 1173857865 /nfs/dbraw/zinc/85/78/65/1173857865.db2.gz IDQHLGBKNLLCEB-RKDXNWHRSA-N -1 1 289.343 1.519 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2C[C@H](C)CC[C@@H]2C)n1 ZINC001592337879 1173858437 /nfs/dbraw/zinc/85/84/37/1173858437.db2.gz QKHZKVGLCCLJFD-BDAKNGLRSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2C[C@H](C)CC[C@@H]2C)n1 ZINC001592337879 1173858439 /nfs/dbraw/zinc/85/84/39/1173858439.db2.gz QKHZKVGLCCLJFD-BDAKNGLRSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N(C)Cc2cscn2)n1 ZINC001592338774 1173860121 /nfs/dbraw/zinc/86/01/21/1173860121.db2.gz MXQVLILPKROUFL-UHFFFAOYSA-N -1 1 288.340 1.058 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N(C)Cc2cscn2)n1 ZINC001592338774 1173860124 /nfs/dbraw/zinc/86/01/24/1173860124.db2.gz MXQVLILPKROUFL-UHFFFAOYSA-N -1 1 288.340 1.058 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2C[C@@H](C)CC(C)(C)C2)n1 ZINC001592337681 1173860237 /nfs/dbraw/zinc/86/02/37/1173860237.db2.gz NNPIIONFOCIUCJ-VIFPVBQESA-N -1 1 287.371 1.838 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2C[C@@H](C)CC(C)(C)C2)n1 ZINC001592337681 1173860242 /nfs/dbraw/zinc/86/02/42/1173860242.db2.gz NNPIIONFOCIUCJ-VIFPVBQESA-N -1 1 287.371 1.838 20 0 CDADMM Cc1nc(CNc2cccnc2-c2nnn[n-]2)cs1 ZINC001592361167 1173867846 /nfs/dbraw/zinc/86/78/46/1173867846.db2.gz DJQSITMKYSRWSK-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1nc(CNc2cccnc2-c2nn[n-]n2)cs1 ZINC001592361167 1173867850 /nfs/dbraw/zinc/86/78/50/1173867850.db2.gz DJQSITMKYSRWSK-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1nc(NC2(C)CC(F)(F)C2)cc(-c2nnn[n-]2)n1 ZINC001592379561 1173872962 /nfs/dbraw/zinc/87/29/62/1173872962.db2.gz CIELEWNNISSOBV-UHFFFAOYSA-N -1 1 281.270 1.565 20 0 CDADMM Cc1nc(NC2(C)CC(F)(F)C2)cc(-c2nn[n-]n2)n1 ZINC001592379561 1173872966 /nfs/dbraw/zinc/87/29/66/1173872966.db2.gz CIELEWNNISSOBV-UHFFFAOYSA-N -1 1 281.270 1.565 20 0 CDADMM Cc1nsc(N(C)C(=O)[C@@H](C)C2CC2)c1-c1nnn[n-]1 ZINC001592468117 1173896219 /nfs/dbraw/zinc/89/62/19/1173896219.db2.gz BPWCPPUPRMSELJ-LURJTMIESA-N -1 1 292.368 1.641 20 0 CDADMM FC(F)C1(Nc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001592625616 1173934008 /nfs/dbraw/zinc/93/40/08/1173934008.db2.gz YPJPUHZMBVMFMT-UHFFFAOYSA-N -1 1 281.270 1.647 20 0 CDADMM FC(F)C1(Nc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001592625616 1173934010 /nfs/dbraw/zinc/93/40/10/1173934010.db2.gz YPJPUHZMBVMFMT-UHFFFAOYSA-N -1 1 281.270 1.647 20 0 CDADMM FC1(F)CC2(CN(c3cccc(-c4nnn[n-]4)n3)C2)C1 ZINC001592629240 1173938125 /nfs/dbraw/zinc/93/81/25/1173938125.db2.gz GJKWRZHFAXTKPG-UHFFFAOYSA-N -1 1 278.266 1.497 20 0 CDADMM FC1(F)CC2(CN(c3cccc(-c4nn[n-]n4)n3)C2)C1 ZINC001592629240 1173938129 /nfs/dbraw/zinc/93/81/29/1173938129.db2.gz GJKWRZHFAXTKPG-UHFFFAOYSA-N -1 1 278.266 1.497 20 0 CDADMM FC1(F)CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001592629043 1173938430 /nfs/dbraw/zinc/93/84/30/1173938430.db2.gz ZSBHINSHSOSFJJ-QMMMGPOBSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(F)CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001592629043 1173938437 /nfs/dbraw/zinc/93/84/37/1173938437.db2.gz ZSBHINSHSOSFJJ-QMMMGPOBSA-N -1 1 295.297 1.894 20 0 CDADMM O=C(N[C@H]1C=CCC1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001592965568 1174008170 /nfs/dbraw/zinc/00/81/70/1174008170.db2.gz MBPQLAYVRMWMQI-ZETCQYMHSA-N -1 1 290.714 1.364 20 0 CDADMM O=C(N[C@H]1CCCSC1)c1ccc(-c2nnn[n-]2)o1 ZINC001592982523 1174009647 /nfs/dbraw/zinc/00/96/47/1174009647.db2.gz IQGNBDZYPDRFRO-ZETCQYMHSA-N -1 1 279.325 1.085 20 0 CDADMM O=C(N[C@H]1CCCSC1)c1ccc(-c2nn[n-]n2)o1 ZINC001592982523 1174009653 /nfs/dbraw/zinc/00/96/53/1174009653.db2.gz IQGNBDZYPDRFRO-ZETCQYMHSA-N -1 1 279.325 1.085 20 0 CDADMM O=C(N[C@H]1CCCC1(F)F)c1cccc(-c2nnn[n-]2)n1 ZINC001592978576 1174010098 /nfs/dbraw/zinc/01/00/98/1174010098.db2.gz ONNQPCDCSSPWMF-VIFPVBQESA-N -1 1 294.265 1.179 20 0 CDADMM O=C(N[C@H]1CCCC1(F)F)c1cccc(-c2nn[n-]n2)n1 ZINC001592978576 1174010103 /nfs/dbraw/zinc/01/01/03/1174010103.db2.gz ONNQPCDCSSPWMF-VIFPVBQESA-N -1 1 294.265 1.179 20 0 CDADMM O=C(NCC1=CCCCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001593021545 1174012244 /nfs/dbraw/zinc/01/22/44/1174012244.db2.gz JWNPUCSJMZFGGJ-UHFFFAOYSA-N -1 1 273.296 1.690 20 0 CDADMM O=C(NCC1=CCCCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001593021545 1174012249 /nfs/dbraw/zinc/01/22/49/1174012249.db2.gz JWNPUCSJMZFGGJ-UHFFFAOYSA-N -1 1 273.296 1.690 20 0 CDADMM O=C([N-]Oc1cccc(-c2nn[nH]n2)c1)[C@H]1CC=CCC1 ZINC001593171275 1174029636 /nfs/dbraw/zinc/02/96/36/1174029636.db2.gz SLEPKHZKOJZHQR-JTQLQIEISA-N -1 1 285.307 1.633 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@H]1C=CCC1 ZINC001593244760 1174041003 /nfs/dbraw/zinc/04/10/03/1174041003.db2.gz ZRMOJYILFRSYHM-QMMMGPOBSA-N -1 1 271.284 1.102 20 0 CDADMM OCC[C@@H]1CCC[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC001593529765 1174105107 /nfs/dbraw/zinc/10/51/07/1174105107.db2.gz NIUINBOXWRJKKY-VHSXEESVSA-N -1 1 274.328 1.225 20 0 CDADMM OCC[C@@H]1CCC[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC001593529765 1174105110 /nfs/dbraw/zinc/10/51/10/1174105110.db2.gz NIUINBOXWRJKKY-VHSXEESVSA-N -1 1 274.328 1.225 20 0 CDADMM OCC[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)C1CCCC1 ZINC001593529968 1174105216 /nfs/dbraw/zinc/10/52/16/1174105216.db2.gz YHGWOWZUQLGOIL-GFCCVEGCSA-N -1 1 288.355 1.037 20 0 CDADMM OCC[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)C1CCCC1 ZINC001593529968 1174105219 /nfs/dbraw/zinc/10/52/19/1174105219.db2.gz YHGWOWZUQLGOIL-GFCCVEGCSA-N -1 1 288.355 1.037 20 0 CDADMM c1cc(-c2nc([C@@H]3CCCOC3)no2)oc1-c1nn[n-]n1 ZINC001593545016 1174113931 /nfs/dbraw/zinc/11/39/31/1174113931.db2.gz UHDSJQHXOSGUGR-SSDOTTSWSA-N -1 1 288.267 1.404 20 0 CDADMM c1ccc([C@@H]2C[C@H]2CNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001593577230 1174145603 /nfs/dbraw/zinc/14/56/03/1174145603.db2.gz CXIUPZFGLQQEDP-RYUDHWBXSA-N -1 1 293.334 1.872 20 0 CDADMM c1ccc([C@@H]2C[C@H]2CNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001593577230 1174145607 /nfs/dbraw/zinc/14/56/07/1174145607.db2.gz CXIUPZFGLQQEDP-RYUDHWBXSA-N -1 1 293.334 1.872 20 0 CDADMM c1ccc(NCCCNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001593576541 1174145632 /nfs/dbraw/zinc/14/56/32/1174145632.db2.gz BYSIDWWVPQNNDS-UHFFFAOYSA-N -1 1 296.338 1.571 20 0 CDADMM c1ccc(NCCCNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001593576541 1174145639 /nfs/dbraw/zinc/14/56/39/1174145639.db2.gz BYSIDWWVPQNNDS-UHFFFAOYSA-N -1 1 296.338 1.571 20 0 CDADMM c1ccc2c(c1)CCN(c1ncncc1-c1nn[n-]n1)C2 ZINC001593580525 1174147356 /nfs/dbraw/zinc/14/73/56/1174147356.db2.gz MWKJINXNXCISDD-UHFFFAOYSA-N -1 1 279.307 1.219 20 0 CDADMM c1ccc2c(c1)CC(Nc1cncc(-c3nnn[n-]3)n1)C2 ZINC001593581800 1174148386 /nfs/dbraw/zinc/14/83/86/1174148386.db2.gz WEEHZWGGGIWRAV-UHFFFAOYSA-N -1 1 279.307 1.236 20 0 CDADMM c1ccc2c(c1)CC(Nc1cncc(-c3nn[n-]n3)n1)C2 ZINC001593581800 1174148392 /nfs/dbraw/zinc/14/83/92/1174148392.db2.gz WEEHZWGGGIWRAV-UHFFFAOYSA-N -1 1 279.307 1.236 20 0 CDADMM c1n[nH]cc1CCSc1cccnc1-c1nnn[n-]1 ZINC001593584860 1174153678 /nfs/dbraw/zinc/15/36/78/1174153678.db2.gz PHYYRTFEYFJDOQ-UHFFFAOYSA-N -1 1 273.325 1.320 20 0 CDADMM c1n[nH]cc1CCSc1cccnc1-c1nn[n-]n1 ZINC001593584860 1174153683 /nfs/dbraw/zinc/15/36/83/1174153683.db2.gz PHYYRTFEYFJDOQ-UHFFFAOYSA-N -1 1 273.325 1.320 20 0 CDADMM c1coc(C2CCN(c3nccnc3-c3nnn[n-]3)CC2)n1 ZINC001593589916 1174157053 /nfs/dbraw/zinc/15/70/53/1174157053.db2.gz YLPPHVAQUTXCQE-UHFFFAOYSA-N -1 1 298.310 1.029 20 0 CDADMM c1coc(C2CCN(c3nccnc3-c3nn[n-]n3)CC2)n1 ZINC001593589916 1174157066 /nfs/dbraw/zinc/15/70/66/1174157066.db2.gz YLPPHVAQUTXCQE-UHFFFAOYSA-N -1 1 298.310 1.029 20 0 CDADMM c1nc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)cc(-c2nnn[n-]2)n1 ZINC001593591643 1174160018 /nfs/dbraw/zinc/16/00/18/1174160018.db2.gz SGUDWBOSTMHUOH-FXPVBKGRSA-N -1 1 287.327 1.026 20 0 CDADMM c1nc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)cc(-c2nn[n-]n2)n1 ZINC001593591643 1174160023 /nfs/dbraw/zinc/16/00/23/1174160023.db2.gz SGUDWBOSTMHUOH-FXPVBKGRSA-N -1 1 287.327 1.026 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NCC[C@@H]2C[C@H]2C2CC2)n1 ZINC001593594490 1174161925 /nfs/dbraw/zinc/16/19/25/1174161925.db2.gz CSCTXSPWNNCQBL-ZJUUUORDSA-N -1 1 271.328 1.505 20 0 CDADMM Cc1cc(CN2C[C@H](C(=O)[O-])Oc3cc(F)ccc32)n[nH]1 ZINC001600191396 1174396690 /nfs/dbraw/zinc/39/66/90/1174396690.db2.gz HXKARTWPNZMLAZ-CYBMUJFWSA-N -1 1 291.282 1.709 20 0 CDADMM Cc1cc(CN[C@H](CO)c2ccnn2C)ccc1C(=O)[O-] ZINC001600204578 1174406474 /nfs/dbraw/zinc/40/64/74/1174406474.db2.gz AIYFMKIQOQCZCK-CYBMUJFWSA-N -1 1 289.335 1.250 20 0 CDADMM Cc1cc(NC(=O)NCCN2CC=CC2)cc(C(=O)[O-])c1 ZINC001600270056 1174432976 /nfs/dbraw/zinc/43/29/76/1174432976.db2.gz PNQFHTSWVOQNFD-UHFFFAOYSA-N -1 1 289.335 1.687 20 0 CDADMM NCc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])o1 ZINC000094569525 1174480429 /nfs/dbraw/zinc/48/04/29/1174480429.db2.gz VZKRVWINLQOCIC-GFCCVEGCSA-N -1 1 288.303 1.164 20 0 CDADMM Cc1nnc([C@@H](C)NCC2(CC(=O)[O-])CC2)s1 ZINC001600792995 1174612097 /nfs/dbraw/zinc/61/20/97/1174612097.db2.gz ULBJCMCTAOCKLA-SSDOTTSWSA-N -1 1 255.343 1.752 20 0 CDADMM Cn1cc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001600951478 1174675562 /nfs/dbraw/zinc/67/55/62/1174675562.db2.gz KJKKYAMIZJMPSJ-SNVBAGLBSA-N -1 1 266.297 1.020 20 0 CDADMM C[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC000103597247 1174682479 /nfs/dbraw/zinc/68/24/79/1174682479.db2.gz OIPSWVBSGNDGGV-NXEZZACHSA-N -1 1 258.329 1.887 20 0 CDADMM C[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC000103597247 1174682480 /nfs/dbraw/zinc/68/24/80/1174682480.db2.gz OIPSWVBSGNDGGV-NXEZZACHSA-N -1 1 258.329 1.887 20 0 CDADMM N=C1Nc2nc3ccccc3n2[C@H](c2ccc(C(=O)[O-])o2)N1 ZINC001601178161 1174775245 /nfs/dbraw/zinc/77/52/45/1174775245.db2.gz JWJVWIZKFUVYQG-LLVKDONJSA-N -1 1 297.274 1.824 20 0 CDADMM O=C([O-])c1ccc(NC(=O)CCN2CC[C@H](F)C2)cn1 ZINC001601275035 1174822113 /nfs/dbraw/zinc/82/21/13/1174822113.db2.gz OOUDYLDJKIYIQS-VIFPVBQESA-N -1 1 281.287 1.152 20 0 CDADMM O=C([O-])[C@H](CNC(=O)c1[nH]ncc1F)CC1CCCC1 ZINC001601462334 1174875612 /nfs/dbraw/zinc/87/56/12/1174875612.db2.gz VPGWRSDMNMVKFR-VIFPVBQESA-N -1 1 283.303 1.560 20 0 CDADMM O=C([O-])[C@@H](CC(F)F)NCc1cc(F)ncc1F ZINC001601639577 1174922634 /nfs/dbraw/zinc/92/26/34/1174922634.db2.gz WSJSEWBALHJKKM-SSDOTTSWSA-N -1 1 266.194 1.558 20 0 CDADMM O=C([O-])C1=CC[C@H](N[C@@H](c2nnc[nH]2)c2cccnc2)C1 ZINC001601737782 1174977211 /nfs/dbraw/zinc/97/72/11/1174977211.db2.gz PFZUZZDSBXYJKN-NWDGAFQWSA-N -1 1 285.307 1.052 20 0 CDADMM O=C([O-])[C@H]1CC(=O)N(CN2CCC[C@H](C3CCC3)C2)C1 ZINC001601758661 1174993292 /nfs/dbraw/zinc/99/32/92/1174993292.db2.gz CZWGGNRCFLRFMO-STQMWFEESA-N -1 1 280.368 1.389 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](O)CN(C/C=C\c2ccc(F)cc2F)C1 ZINC001601770114 1174997592 /nfs/dbraw/zinc/99/75/92/1174997592.db2.gz USTJZRIOYLSPPS-UFFOYUOVSA-N -1 1 297.301 1.745 20 0 CDADMM O=C([O-])[C@@H]1CCN(Cc2cnns2)[C@H]2CCC[C@H]21 ZINC001601828248 1175026182 /nfs/dbraw/zinc/02/61/82/1175026182.db2.gz RPMUIZFIVGTFDB-AXFHLTTASA-N -1 1 267.354 1.613 20 0 CDADMM O=C([O-])Cn1cc(CN[C@@H]2C[C@H]2Cc2ccccc2)nn1 ZINC001602162201 1175147299 /nfs/dbraw/zinc/14/72/99/1175147299.db2.gz QOVRPYQRHVOMCP-TZMCWYRMSA-N -1 1 286.335 1.084 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](C(=O)Nc2ccc(F)c(F)c2O)C1 ZINC001602213861 1175169062 /nfs/dbraw/zinc/16/90/62/1175169062.db2.gz HMCFKGHDZHRLBB-OLQVQODUSA-N -1 1 271.219 1.720 20 0 CDADMM O=C([O-])c1ccc(C(=O)Nc2cccc(-c3nnc[nH]3)c2)[nH]1 ZINC001602325519 1175205140 /nfs/dbraw/zinc/20/51/40/1175205140.db2.gz UYFMRVZUGCFLIC-UHFFFAOYSA-N -1 1 297.274 1.750 20 0 CDADMM O=C([O-])c1ccc(CN2CCC[C@@H](n3ccnn3)C2)[nH]1 ZINC001602338945 1175212522 /nfs/dbraw/zinc/21/25/22/1175212522.db2.gz QBYRTUPOLIQQEE-LLVKDONJSA-N -1 1 275.312 1.142 20 0 CDADMM O=C([O-])c1ccc(NC(=O)C2CN([C@H]3CCOC3)C2)cc1 ZINC001602373864 1175226261 /nfs/dbraw/zinc/22/62/61/1175226261.db2.gz UAHRWWBMOGDROK-ZDUSSCGKSA-N -1 1 290.319 1.044 20 0 CDADMM O=C([O-])c1coc(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC001602551528 1175290106 /nfs/dbraw/zinc/29/01/06/1175290106.db2.gz NISOEELJGQJVEH-QMMMGPOBSA-N -1 1 292.295 1.181 20 0 CDADMM O=C([O-])c1coc(C[N@H+]2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC001602551528 1175290114 /nfs/dbraw/zinc/29/01/14/1175290114.db2.gz NISOEELJGQJVEH-QMMMGPOBSA-N -1 1 292.295 1.181 20 0 CDADMM O=C([O-])c1ncn(CN2CC[C@H](c3ccccc3)C2)n1 ZINC001602580248 1175307156 /nfs/dbraw/zinc/30/71/56/1175307156.db2.gz OOPKQWUEHQBZQD-LBPRGKRZSA-N -1 1 272.308 1.423 20 0 CDADMM C=C/C=C\CCOc1ccc(F)nc1-c1nnn[n-]1 ZINC001602807065 1175409437 /nfs/dbraw/zinc/40/94/37/1175409437.db2.gz GDHFJMJHMJYHBX-ARJAWSKDSA-N -1 1 261.260 1.912 20 0 CDADMM C=C/C=C\CCOc1ccc(F)nc1-c1nn[n-]n1 ZINC001602807065 1175409441 /nfs/dbraw/zinc/40/94/41/1175409441.db2.gz GDHFJMJHMJYHBX-ARJAWSKDSA-N -1 1 261.260 1.912 20 0 CDADMM C/C(=C\C(=O)[O-])CN(CC(N)=O)[C@H](C)c1ccccc1 ZINC001602955487 1175458411 /nfs/dbraw/zinc/45/84/11/1175458411.db2.gz SEXOSSJTYZYBNR-JATZPVMKSA-N -1 1 276.336 1.566 20 0 CDADMM CC(=O)N[C@@H]1CCN(Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC001603039809 1175482048 /nfs/dbraw/zinc/48/20/48/1175482048.db2.gz JSZDWCXIMBGYEX-SNVBAGLBSA-N -1 1 296.754 1.749 20 0 CDADMM CC(=O)OC[C@@H](C)NCc1ccc(C(=O)[O-])cc1F ZINC001603088138 1175488638 /nfs/dbraw/zinc/48/86/38/1175488638.db2.gz SXFKCYKPQDFYLL-MRVPVSSYSA-N -1 1 269.272 1.565 20 0 CDADMM CC(C)(C)OC(=O)CSc1ccnc(-c2nn[n-]n2)n1 ZINC001603085044 1175488965 /nfs/dbraw/zinc/48/89/65/1175488965.db2.gz JAYWITCRBQWUIR-UHFFFAOYSA-N -1 1 294.340 1.091 20 0 CDADMM CC(C)C(NC(=O)c1ccnc(-c2nnn[n-]2)c1)C(C)C ZINC001603229441 1175520549 /nfs/dbraw/zinc/52/05/49/1175520549.db2.gz VOJAVAHVLHFCLW-UHFFFAOYSA-N -1 1 288.355 1.672 20 0 CDADMM CC(C)C(NC(=O)c1ccnc(-c2nn[n-]n2)c1)C(C)C ZINC001603229441 1175520555 /nfs/dbraw/zinc/52/05/55/1175520555.db2.gz VOJAVAHVLHFCLW-UHFFFAOYSA-N -1 1 288.355 1.672 20 0 CDADMM CC(C)(C)C(=O)CC[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC001603296774 1175534219 /nfs/dbraw/zinc/53/42/19/1175534219.db2.gz XLSYQKIVIBYNHH-SNVBAGLBSA-N -1 1 273.398 1.884 20 0 CDADMM CC(C)(C)c1nc(CN[C@H](C(=O)[O-])C(C)(C)C)n[nH]1 ZINC001603551280 1175564150 /nfs/dbraw/zinc/56/41/50/1175564150.db2.gz CLVVFNOGZIXIIV-SECBINFHSA-N -1 1 268.361 1.691 20 0 CDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001603559203 1175565284 /nfs/dbraw/zinc/56/52/84/1175565284.db2.gz AEJDZZOLQCAKAM-VIFPVBQESA-N -1 1 282.311 1.267 20 0 CDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001603559203 1175565288 /nfs/dbraw/zinc/56/52/88/1175565288.db2.gz AEJDZZOLQCAKAM-VIFPVBQESA-N -1 1 282.311 1.267 20 0 CDADMM CC(C)(NC[C@@H]1CCCCO1)c1nocc1C(=O)[O-] ZINC001603680984 1175595882 /nfs/dbraw/zinc/59/58/82/1175595882.db2.gz PCZPELPNHQAYIP-VIFPVBQESA-N -1 1 268.313 1.767 20 0 CDADMM C[C@@H](O)CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001603700172 1175602873 /nfs/dbraw/zinc/60/28/73/1175602873.db2.gz YVESSYVVFHVQIJ-RXMQYKEDSA-N -1 1 288.233 1.073 20 0 CDADMM C[C@@H](O)CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001603700172 1175602877 /nfs/dbraw/zinc/60/28/77/1175602877.db2.gz YVESSYVVFHVQIJ-RXMQYKEDSA-N -1 1 288.233 1.073 20 0 CDADMM CC(C)[C@@H]1CCCN(CN2C[C@@H](C(=O)[O-])OC2=O)C1 ZINC001603753369 1175617760 /nfs/dbraw/zinc/61/77/60/1175617760.db2.gz OPZJABUHFQVJTK-MNOVXSKESA-N -1 1 270.329 1.217 20 0 CDADMM CC1(C)CC(NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001603765424 1175622529 /nfs/dbraw/zinc/62/25/29/1175622529.db2.gz XGFYWWKFLRECCH-UHFFFAOYSA-N -1 1 272.312 1.180 20 0 CDADMM CC1(C)CC(NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001603765424 1175622532 /nfs/dbraw/zinc/62/25/32/1175622532.db2.gz XGFYWWKFLRECCH-UHFFFAOYSA-N -1 1 272.312 1.180 20 0 CDADMM CC1(C)C[C@@H](NC(=O)c2csc(-c3nn[n-]n3)c2)CO1 ZINC001603765065 1175622548 /nfs/dbraw/zinc/62/25/48/1175622548.db2.gz RGVKZGMUCQXTOE-MRVPVSSYSA-N -1 1 293.352 1.226 20 0 CDADMM CC1(C)CCC[C@@H](C(=O)Nc2c[nH]nc2-c2nn[n-]n2)C1 ZINC001603773422 1175626568 /nfs/dbraw/zinc/62/65/68/1175626568.db2.gz DFSFGYPYNJKPEA-MRVPVSSYSA-N -1 1 289.343 1.745 20 0 CDADMM C[C@@H]1CCCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)[C@@H]1C ZINC001603899543 1175677376 /nfs/dbraw/zinc/67/73/76/1175677376.db2.gz LRQPBUDAISOELI-NXEZZACHSA-N -1 1 286.339 1.522 20 0 CDADMM C[C@@H]1CCCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)[C@@H]1C ZINC001603899543 1175677381 /nfs/dbraw/zinc/67/73/81/1175677381.db2.gz LRQPBUDAISOELI-NXEZZACHSA-N -1 1 286.339 1.522 20 0 CDADMM C[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)[C@@H]1C ZINC001603897731 1175677422 /nfs/dbraw/zinc/67/74/22/1175677422.db2.gz JQRIVGJBXBBODL-RKDXNWHRSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)[C@@H]1C ZINC001603897731 1175677426 /nfs/dbraw/zinc/67/74/26/1175677426.db2.gz JQRIVGJBXBBODL-RKDXNWHRSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@@H]1CCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)[C@H]1C ZINC001603903822 1175678691 /nfs/dbraw/zinc/67/86/91/1175678691.db2.gz UFLOLSMHHFDDTP-BDAKNGLRSA-N -1 1 289.314 1.876 20 0 CDADMM C[C@@H]1CCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)[C@H]1C ZINC001603903822 1175678695 /nfs/dbraw/zinc/67/86/95/1175678695.db2.gz UFLOLSMHHFDDTP-BDAKNGLRSA-N -1 1 289.314 1.876 20 0 CDADMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@H](C2CC2)O1 ZINC001603941201 1175692611 /nfs/dbraw/zinc/69/26/11/1175692611.db2.gz ZJAKEEMKLGQMKT-JOYOIKCWSA-N -1 1 286.339 1.265 20 0 CDADMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@H](C2CC2)O1 ZINC001603941201 1175692619 /nfs/dbraw/zinc/69/26/19/1175692619.db2.gz ZJAKEEMKLGQMKT-JOYOIKCWSA-N -1 1 286.339 1.265 20 0 CDADMM C[C@@H]1CN(c2ccnc(-c3nnn[n-]3)c2)C[C@@H](C2CC2)O1 ZINC001603941619 1175693194 /nfs/dbraw/zinc/69/31/94/1175693194.db2.gz PYSVTHKOSJKWCN-RNCFNFMXSA-N -1 1 286.339 1.265 20 0 CDADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)c2)C[C@@H](C2CC2)O1 ZINC001603941619 1175693199 /nfs/dbraw/zinc/69/31/99/1175693199.db2.gz PYSVTHKOSJKWCN-RNCFNFMXSA-N -1 1 286.339 1.265 20 0 CDADMM C[C@@H]1Oc2ccccc2[C@@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001603956212 1175696202 /nfs/dbraw/zinc/69/62/02/1175696202.db2.gz OVYGZZFEPHMVOW-LKFCYVNXSA-N -1 1 294.318 1.618 20 0 CDADMM C[C@@H]1Oc2ccccc2[C@@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001603956212 1175696207 /nfs/dbraw/zinc/69/62/07/1175696207.db2.gz OVYGZZFEPHMVOW-LKFCYVNXSA-N -1 1 294.318 1.618 20 0 CDADMM CC[C@H](C)[C@@H](CNc1ncncc1-c1nn[n-]n1)OC ZINC001603998096 1175714719 /nfs/dbraw/zinc/71/47/19/1175714719.db2.gz BWHXYFCCOMYXJC-WCBMZHEXSA-N -1 1 277.332 1.130 20 0 CDADMM CC(C)c1ncc(CNC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)[nH]1 ZINC001604014064 1175721543 /nfs/dbraw/zinc/72/15/43/1175721543.db2.gz UAJKIRJXPSTHGV-FBIMIBRVSA-N -1 1 295.339 1.028 20 0 CDADMM CCC(CC)N(CC)c1cncc(-c2nnn[n-]2)n1 ZINC001604025315 1175724420 /nfs/dbraw/zinc/72/44/20/1175724420.db2.gz FBCMXQRFTYYXAG-UHFFFAOYSA-N -1 1 261.333 1.672 20 0 CDADMM CCC(CC)N(CC)c1cncc(-c2nn[n-]n2)n1 ZINC001604025315 1175724425 /nfs/dbraw/zinc/72/44/25/1175724425.db2.gz FBCMXQRFTYYXAG-UHFFFAOYSA-N -1 1 261.333 1.672 20 0 CDADMM CCC(O)(CC)CNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001604066264 1175743682 /nfs/dbraw/zinc/74/36/82/1175743682.db2.gz QVGNNGSLANJOCJ-UHFFFAOYSA-N -1 1 293.327 1.049 20 0 CDADMM CCC(O)(CC)CNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001604066264 1175743687 /nfs/dbraw/zinc/74/36/87/1175743687.db2.gz QVGNNGSLANJOCJ-UHFFFAOYSA-N -1 1 293.327 1.049 20 0 CDADMM CC[S@](=O)CCNC(=O)c1ccc([O-])cc1F ZINC000229787485 1175779275 /nfs/dbraw/zinc/77/92/75/1175779275.db2.gz BBQOCMJYYKUPEI-KRWDZBQOSA-N -1 1 259.302 1.030 20 0 CDADMM COC(=O)C1CCC(NC(=O)c2ccc([O-])cc2F)CC1 ZINC000163293937 1180426701 /nfs/dbraw/zinc/42/67/01/1180426701.db2.gz QOGCTOJLRJRBJM-UHFFFAOYSA-N -1 1 295.310 1.993 20 0 CDADMM O=C(Nc1ccc(-n2cncn2)cc1)c1ccc(O)cc1[O-] ZINC000193165397 1184555988 /nfs/dbraw/zinc/55/59/88/1184555988.db2.gz SIBOUQQAIAJXNC-UHFFFAOYSA-N -1 1 296.286 1.931 20 0 CDADMM O=C([O-])[C@@H](O)CNCc1c(Cl)cccc1OC(F)F ZINC001771909752 1186168152 /nfs/dbraw/zinc/16/81/52/1186168152.db2.gz PKWYNMHEKIVNOD-QMMMGPOBSA-N -1 1 295.669 1.477 20 0 CDADMM CO[C@@H]([C@@H](C)NCc1cc(C(=O)[O-])no1)C1CC1 ZINC000384419944 1187267708 /nfs/dbraw/zinc/26/77/08/1187267708.db2.gz ZAEGABCFPIWJII-HQJQHLMTSA-N -1 1 254.286 1.276 20 0 CDADMM Clc1nc(N[C@@H]2CC23CC3)sc1-c1nnn[n-]1 ZINC001606198285 1163804777 /nfs/dbraw/zinc/80/47/77/1163804777.db2.gz IHZJWZKNHPILDB-SCSAIBSYSA-N -1 1 268.733 1.941 20 0 CDADMM Clc1nc(N[C@@H]2CC23CC3)sc1-c1nn[n-]n1 ZINC001606198285 1163804781 /nfs/dbraw/zinc/80/47/81/1163804781.db2.gz IHZJWZKNHPILDB-SCSAIBSYSA-N -1 1 268.733 1.941 20 0 CDADMM O=C(O[C@@H]1C=CCC1)c1csc(-c2nn[n-]n2)c1 ZINC001606963132 1164039286 /nfs/dbraw/zinc/03/92/86/1164039286.db2.gz UOTKVTHXQZTXGR-MRVPVSSYSA-N -1 1 262.294 1.804 20 0 CDADMM COCn1ncc(C)c1CN1CCSC[C@@H]1CC(=O)[O-] ZINC001606984213 1164049689 /nfs/dbraw/zinc/04/96/89/1164049689.db2.gz GYHPAFYXOGIRLR-NSHDSACASA-N -1 1 299.396 1.188 20 0 CDADMM C[C@@H](C(=O)N[C@](C)(C(=O)[O-])c1ccc(F)cc1)N(C)C ZINC001607415003 1164172266 /nfs/dbraw/zinc/17/22/66/1164172266.db2.gz GCKVDCRRSCCVDF-XPTSAGLGSA-N -1 1 282.315 1.192 20 0 CDADMM C[C@@H]1CN(Cc2nc3ccccc3[nH]2)C[C@H]1C(=O)[O-] ZINC001607439053 1164181441 /nfs/dbraw/zinc/18/14/41/1164181441.db2.gz WKEUQHRLYSCAGB-NXEZZACHSA-N -1 1 259.309 1.715 20 0 CDADMM Cc1cc(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)oc1C(=O)[O-] ZINC001607647938 1164257904 /nfs/dbraw/zinc/25/79/04/1164257904.db2.gz LGCNQAYLODPKGU-HLUHBDAQSA-N -1 1 292.335 1.385 20 0 CDADMM Cc1ccccc1[C@@H](N)C(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001607879387 1164320480 /nfs/dbraw/zinc/32/04/80/1164320480.db2.gz ZWBFKVMSOPIDEU-GXTWGEPZSA-N -1 1 290.363 1.612 20 0 CDADMM Cc1[nH]ncc1CNc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001607939169 1164345468 /nfs/dbraw/zinc/34/54/68/1164345468.db2.gz LLQQXYLEAIEPGZ-UHFFFAOYSA-N -1 1 288.307 1.145 20 0 CDADMM Cc1nc([C@@H](C)NCc2ccc(C=CC(=O)[O-])o2)n[nH]1 ZINC001608014334 1164376493 /nfs/dbraw/zinc/37/64/93/1164376493.db2.gz RFJFZYFCYTWKJS-HQZHTGGTSA-N -1 1 276.296 1.655 20 0 CDADMM CC(C)C[C@@H](C)OCCC(=O)N(C)c1nn[n-]n1 ZINC001332604347 957636084 /nfs/dbraw/zinc/63/60/84/957636084.db2.gz RXDFLOZFAZBCHW-SECBINFHSA-N -1 1 255.322 1.004 20 0 CDADMM Cc1nccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)n1 ZINC000348663553 1164405982 /nfs/dbraw/zinc/40/59/82/1164405982.db2.gz BZLMAHMZZULZEY-ZCFIWIBFSA-N -1 1 274.202 1.162 20 0 CDADMM Nc1c(NC(=O)CCN2CC[C@@H](F)C2)cccc1C(=O)[O-] ZINC001608269898 1164474405 /nfs/dbraw/zinc/47/44/05/1164474405.db2.gz FHLRTPQPWOLAAV-SECBINFHSA-N -1 1 295.314 1.339 20 0 CDADMM O=C([O-])CCCO[N-]C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001608716133 1164618988 /nfs/dbraw/zinc/61/89/88/1164618988.db2.gz XXOVVZCOEQHLNY-CYBMUJFWSA-N -1 1 298.383 1.696 20 0 CDADMM C[C@@H]1CCC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001609163220 1164811720 /nfs/dbraw/zinc/81/17/20/1164811720.db2.gz USLPDSXGVRWIJY-ZJUUUORDSA-N -1 1 273.344 1.672 20 0 CDADMM CS[C@@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001609369668 1164910187 /nfs/dbraw/zinc/91/01/87/1164910187.db2.gz IMORSXFYPGTXHY-RKDXNWHRSA-N -1 1 291.384 1.743 20 0 CDADMM 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O=C([O-])c1ccc(C(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000568883200 294119499 /nfs/dbraw/zinc/11/94/99/294119499.db2.gz SOCUKXWSMPMPJR-LBPRGKRZSA-N -1 1 285.303 1.915 20 0 CDADMM NC(=O)c1cc(-c2csc(-c3ncon3)n2)ccc1[O-] ZINC000569169725 294169003 /nfs/dbraw/zinc/16/90/03/294169003.db2.gz ARMVGUKSPNSQBF-UHFFFAOYSA-N -1 1 288.288 1.665 20 0 CDADMM O=C(CS[C@@H]1CCCc2ccccc21)Nc1nnn[n-]1 ZINC000574475280 295006305 /nfs/dbraw/zinc/00/63/05/295006305.db2.gz OUJDJEVAUHMLPY-LLVKDONJSA-N -1 1 289.364 1.949 20 0 CDADMM O=C(CS[C@@H]1CCCc2ccccc21)Nc1nn[n-]n1 ZINC000574475280 295006307 /nfs/dbraw/zinc/00/63/07/295006307.db2.gz OUJDJEVAUHMLPY-LLVKDONJSA-N -1 1 289.364 1.949 20 0 CDADMM C[C@@H]1CCN(Cc2n[nH]c(C(C)(C)C)n2)[C@@H](C(=O)[O-])C1 ZINC000574818288 295059273 /nfs/dbraw/zinc/05/92/73/295059273.db2.gz YQRAAJHAFPPFNB-NXEZZACHSA-N -1 1 280.372 1.787 20 0 CDADMM C[C@@H]1CNCCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000054369700 297103587 /nfs/dbraw/zinc/10/35/87/297103587.db2.gz WAJOSLQOWMHWKQ-ZCFIWIBFSA-N -1 1 274.242 1.243 20 0 CDADMM CCOC(=O)c1cnn(C[C@@H]2C[C@H]2CC)c1-c1nn[n-]n1 ZINC001590775274 1173508157 /nfs/dbraw/zinc/50/81/57/1173508157.db2.gz DJXOKGVWFPGTQR-BDAKNGLRSA-N -1 1 290.327 1.286 20 0 CDADMM C[C@H]1CN(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)C[C@H]1C ZINC000286969798 300093763 /nfs/dbraw/zinc/09/37/63/300093763.db2.gz AIIGLOJOWLLIMO-SLQOZURVSA-N -1 1 273.340 1.462 20 0 CDADMM C[C@H]1CN(C(=O)c2c(F)ccc([O-])c2F)CC[S@]1=O ZINC000335672123 300182453 /nfs/dbraw/zinc/18/24/53/300182453.db2.gz JWFBTZLEZACYDV-IIYDVTGLSA-N -1 1 289.303 1.263 20 0 CDADMM CC[C@@H]1CC[C@H](C)N(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001590858350 1173527475 /nfs/dbraw/zinc/52/74/75/1173527475.db2.gz BDMWPNQHGFZIGR-VHSXEESVSA-N -1 1 273.344 1.672 20 0 CDADMM CC[C@@H]1CC[C@H](C)N(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001590858350 1173527481 /nfs/dbraw/zinc/52/74/81/1173527481.db2.gz BDMWPNQHGFZIGR-VHSXEESVSA-N -1 1 273.344 1.672 20 0 CDADMM CCSCn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001590853903 1173527622 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1173683826 /nfs/dbraw/zinc/68/38/26/1173683826.db2.gz IDLUZFFPKOCFOZ-ZETCQYMHSA-N -1 1 295.393 1.506 20 0 CDADMM CCc1[nH]ccc1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000563630431 316347612 /nfs/dbraw/zinc/34/76/12/316347612.db2.gz MTLZHIXCEOZAJV-SECBINFHSA-N -1 1 290.323 1.686 20 0 CDADMM Cc1sc(N2C[C@@H](C)N(CCO)[C@@H](C)C2)nc1C(=O)[O-] ZINC000576519075 317154008 /nfs/dbraw/zinc/15/40/08/317154008.db2.gz AXUYCVDETYENPU-DTORHVGOSA-N -1 1 299.396 1.041 20 0 CDADMM Cc1csc(Sc2nnccc2-c2nn[n-]n2)n1 ZINC001592324141 1173855245 /nfs/dbraw/zinc/85/52/45/1173855245.db2.gz SPRIWQPLYIKGSN-UHFFFAOYSA-N -1 1 277.338 1.573 20 0 CDADMM CCC[C@@H](NC(=O)CCCOC(C)C)c1nn[n-]n1 ZINC000183483015 323337664 /nfs/dbraw/zinc/33/76/64/323337664.db2.gz BSKGNJLUBUXWEA-SNVBAGLBSA-N -1 1 269.349 1.362 20 0 CDADMM Cc1cnc(SCC(=O)c2ccn(C)c2)[n-]c1=O ZINC000386096476 323731173 /nfs/dbraw/zinc/73/11/73/323731173.db2.gz IZEHBPWGWIKRCW-UHFFFAOYSA-N -1 1 263.322 1.804 20 0 CDADMM Cc1nc(Oc2cccc(F)c2)cc(-c2nnn[n-]2)n1 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ZINC001592494097 1173901348 /nfs/dbraw/zinc/90/13/48/1173901348.db2.gz BGCXBTNVKNHLHL-UHFFFAOYSA-N -1 1 283.382 1.903 20 0 CDADMM Cc1nsc(NCC2(C)CC2)c1-c1nn[n-]n1 ZINC001592488058 1173903510 /nfs/dbraw/zinc/90/35/10/1173903510.db2.gz RSWSHDLVIQVQOE-UHFFFAOYSA-N -1 1 250.331 1.844 20 0 CDADMM O=C(c1cccc2nn[nH]c21)N1CCC[C@H]1c1ncon1 ZINC000584241654 327125267 /nfs/dbraw/zinc/12/52/67/327125267.db2.gz QVAYUHQBGJILPY-JTQLQIEISA-N -1 1 284.279 1.318 20 0 CDADMM CC(C)[C@@](C)(NCc1nc(=O)c2sccc2[n-]1)C(N)=O ZINC000380209143 1159790295 /nfs/dbraw/zinc/79/02/95/1159790295.db2.gz GQXGIWOKGICOPU-CYBMUJFWSA-N -1 1 294.380 1.387 20 0 CDADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)CC(C)(C)O ZINC000384733717 1160356014 /nfs/dbraw/zinc/35/60/14/1160356014.db2.gz KHALYUKTLDIMLQ-ZETCQYMHSA-N -1 1 299.396 1.492 20 0 CDADMM C[C@H](C(=O)N(C)C)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000227028703 482224438 /nfs/dbraw/zinc/22/44/38/482224438.db2.gz PCDKVVQQJRHVMY-MFKMUULPSA-N -1 1 276.336 1.147 20 0 CDADMM O=C([O-])[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000045949637 482306999 /nfs/dbraw/zinc/30/69/99/482306999.db2.gz SBFAYWIRIRMRPI-SNVBAGLBSA-N -1 1 259.309 1.860 20 0 CDADMM O=C([O-])CCCN1CCOc2cccc(F)c2C1 ZINC000669941612 482536034 /nfs/dbraw/zinc/53/60/34/482536034.db2.gz QDLVQBVQXUOSAB-UHFFFAOYSA-N -1 1 253.273 1.885 20 0 CDADMM Cc1cccc(CN(C)[C@@H]2CCN(CC(=O)[O-])C2=O)c1 ZINC000662201315 482604572 /nfs/dbraw/zinc/60/45/72/482604572.db2.gz HQIAWZNUOXSRIU-CYBMUJFWSA-N -1 1 276.336 1.112 20 0 CDADMM CCC[C@@H](C)NC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000677298452 482616259 /nfs/dbraw/zinc/61/62/59/482616259.db2.gz MQYRARYZQXUPSP-MRVPVSSYSA-N -1 1 274.342 1.106 20 0 CDADMM C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1nn[n-]n1 ZINC000677306210 482620095 /nfs/dbraw/zinc/62/00/95/482620095.db2.gz GSUFSRHLLHGLNW-MRVPVSSYSA-N -1 1 279.731 1.348 20 0 CDADMM O=C(NCc1nnc2n1CCCC2)c1ccc([O-])c(F)c1 ZINC000681018347 482658683 /nfs/dbraw/zinc/65/86/83/482658683.db2.gz CJWAPAXPWPKTOK-UHFFFAOYSA-N -1 1 290.298 1.389 20 0 CDADMM C[C@@H](CN(C)C(=O)c1cc2ccsc2[nH]1)c1nn[n-]n1 ZINC000681352480 482822360 /nfs/dbraw/zinc/82/23/60/482822360.db2.gz CIZXZXAELJXZAJ-ZETCQYMHSA-N -1 1 290.352 1.618 20 0 CDADMM C[C@H](CN(C)C(=O)c1occ2c1CCC2)c1nn[n-]n1 ZINC000671795336 482844725 /nfs/dbraw/zinc/84/47/25/482844725.db2.gz CFYJKPUMPTWZSE-MRVPVSSYSA-N -1 1 275.312 1.157 20 0 CDADMM Cc1ncccc1CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000685585918 483177373 /nfs/dbraw/zinc/17/73/73/483177373.db2.gz BHDAAKLIEWCSDO-GFCCVEGCSA-N -1 1 273.340 1.593 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccc([O-])c(F)c2)[C@H]1CO ZINC000682366608 483204729 /nfs/dbraw/zinc/20/47/29/483204729.db2.gz SPZGCHUUNHVEIW-KWQFWETISA-N -1 1 253.273 1.374 20 0 CDADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC23CCC3)c1 ZINC000679113620 483275061 /nfs/dbraw/zinc/27/50/61/483275061.db2.gz CPOXLMINCWIKHH-VIFPVBQESA-N -1 1 296.348 1.168 20 0 CDADMM NC(=O)c1cc(C(=O)Nc2ccc(F)cc2[O-])c[nH]1 ZINC000676055754 483403563 /nfs/dbraw/zinc/40/35/63/483403563.db2.gz 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CCNC(=O)NC(=O)[C@@H](C)Sc1nc(CC)cc(=O)[n-]1 ZINC000428700779 535792160 /nfs/dbraw/zinc/79/21/60/535792160.db2.gz PCAKBLPBJPQEHZ-SSDOTTSWSA-N -1 1 298.368 1.071 20 0 CDADMM CC[C@](C)(NC(=O)c1cc(F)cc2nc[nH]c21)C(=O)[O-] ZINC000262232302 535838900 /nfs/dbraw/zinc/83/89/00/535838900.db2.gz WYYWMQWEZPFXSH-ZDUSSCGKSA-N -1 1 279.271 1.685 20 0 CDADMM CN(CCC(=O)[O-])[C@H]1CCN(c2ccccc2F)C1=O ZINC000237243154 536312567 /nfs/dbraw/zinc/31/25/67/536312567.db2.gz ZYGQUIYKBYVWEE-LBPRGKRZSA-N -1 1 280.299 1.338 20 0 CDADMM Cc1ccc(CN(C)C[C@@H]2[C@H](C(=O)[O-])C2(F)F)nc1 ZINC001600409594 1174465782 /nfs/dbraw/zinc/46/57/82/1174465782.db2.gz GAFWZGSWSOPRDM-GHMZBOCLSA-N -1 1 270.279 1.788 20 0 CDADMM Cc1nc([C@@H](C)OC(=O)c2ccccc2C(=O)[O-])n[nH]1 ZINC001600667580 1174555399 /nfs/dbraw/zinc/55/53/99/1174555399.db2.gz YPVSVZSTAIQSAU-SSDOTTSWSA-N -1 1 275.264 1.729 20 0 CDADMM Cc1[nH]nc2cc(NC(=O)[C@@H](C)CC(=O)[O-])ccc12 ZINC001600674223 1174558562 /nfs/dbraw/zinc/55/85/62/1174558562.db2.gz 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1174970146 /nfs/dbraw/zinc/97/01/46/1174970146.db2.gz KLKRXXSETSEZQR-OAHLLOKOSA-N -1 1 272.304 1.903 20 0 CDADMM Cc1noc(Cl)c1CC(=O)[N-]OCC(F)F ZINC000760156611 576462498 /nfs/dbraw/zinc/46/24/98/576462498.db2.gz SCEWJUBUAZQUOC-UHFFFAOYSA-N -1 1 254.620 1.492 20 0 CDADMM C1=CC[C@]2(CC1)CCCN(c1nccnc1-c1nnn[n-]1)C2 ZINC000735399951 575464421 /nfs/dbraw/zinc/46/44/21/575464421.db2.gz OXHAPKVDASDRAT-HNNXBMFYSA-N -1 1 297.366 1.983 20 0 CDADMM C1=CC[C@]2(CC1)CCCN(c1nccnc1-c1nn[n-]n1)C2 ZINC000735399951 575464424 /nfs/dbraw/zinc/46/44/24/575464424.db2.gz OXHAPKVDASDRAT-HNNXBMFYSA-N -1 1 297.366 1.983 20 0 CDADMM CC(=CC(=O)N1CCOC[C@@H]1c1nn[n-]n1)c1ccccc1 ZINC000735448590 575469410 /nfs/dbraw/zinc/46/94/10/575469410.db2.gz LEHIPZSERZYFRZ-YGNAEDSMSA-N -1 1 299.334 1.203 20 0 CDADMM CC(C)(C(=O)OCc1nn[n-]n1)c1cccc(Cl)c1 ZINC000735582977 575487668 /nfs/dbraw/zinc/48/76/68/575487668.db2.gz QKHSVWWFVVMCDJ-UHFFFAOYSA-N -1 1 280.715 1.874 20 0 CDADMM CC(C)[C@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 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CC1(C)CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736212452 575591189 /nfs/dbraw/zinc/59/11/89/575591189.db2.gz ZSLMLBFTPYGYDL-UHFFFAOYSA-N -1 1 286.339 1.524 20 0 CDADMM COC(OC)c1ccc(C(=O)Nc2ccncc2[O-])o1 ZINC000771626505 575598615 /nfs/dbraw/zinc/59/86/15/575598615.db2.gz VPHINFBCXUCFKF-UHFFFAOYSA-N -1 1 278.264 1.346 20 0 CDADMM CC(C)(NC(=O)[O-])C(=O)Nc1ccc2nc[nH]c2c1 ZINC000736337918 575627065 /nfs/dbraw/zinc/62/70/65/575627065.db2.gz XWYWOGRMNMPIEG-UHFFFAOYSA-N -1 1 262.269 1.548 20 0 CDADMM CC[C@H](CCO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000736349069 575634124 /nfs/dbraw/zinc/63/41/24/575634124.db2.gz FFEDPKXWZGFYEF-RXMQYKEDSA-N -1 1 288.764 1.550 20 0 CDADMM CC[C@H](CCO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000736349069 575634126 /nfs/dbraw/zinc/63/41/26/575634126.db2.gz FFEDPKXWZGFYEF-RXMQYKEDSA-N -1 1 288.764 1.550 20 0 CDADMM CC(C)[C@@H](C(=O)Nc1ccc(CNC(=O)[O-])cc1)N(C)C ZINC000736349784 575635322 /nfs/dbraw/zinc/63/53/22/575635322.db2.gz PEBHMGATCYBQAI-ZDUSSCGKSA-N -1 1 293.367 1.979 20 0 CDADMM CC1(C)OCC(NC(=O)c2c([O-])cccc2F)CO1 ZINC000772242666 575675500 /nfs/dbraw/zinc/67/55/00/575675500.db2.gz UEOFZXVGMMECGT-UHFFFAOYSA-N -1 1 269.272 1.413 20 0 CDADMM CC[C@H](C)C[N@@H+](C)CC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000736879706 575768797 /nfs/dbraw/zinc/76/87/97/575768797.db2.gz GZDREDBZZDVKPC-NWDGAFQWSA-N -1 1 272.389 1.580 20 0 CDADMM COC[C@@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000736970573 575780193 /nfs/dbraw/zinc/78/01/93/575780193.db2.gz CRFICGKRPXMLJA-MRVPVSSYSA-N -1 1 294.746 1.388 20 0 CDADMM COC[C@@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000736970573 575780194 /nfs/dbraw/zinc/78/01/94/575780194.db2.gz CRFICGKRPXMLJA-MRVPVSSYSA-N -1 1 294.746 1.388 20 0 CDADMM CON(C)CCNC(=O)c1cc(Cl)ccc1[O-] ZINC000773168383 575784608 /nfs/dbraw/zinc/78/46/08/575784608.db2.gz IKJDYDZVJSMNBW-UHFFFAOYSA-N -1 1 258.705 1.269 20 0 CDADMM O=C(C=Cc1ccco1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000773312906 575800392 /nfs/dbraw/zinc/80/03/92/575800392.db2.gz BMNYBCQKCPUADF-BRAIEQGRSA-N -1 1 289.291 1.788 20 0 CDADMM O=C(OCCn1cccn1)c1ccc([O-])cc1F ZINC000773573434 575827089 /nfs/dbraw/zinc/82/70/89/575827089.db2.gz NFRVYIJPGGRGTD-UHFFFAOYSA-N -1 1 250.229 1.585 20 0 CDADMM Cc1ccc(CCn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000737337963 575942892 /nfs/dbraw/zinc/94/28/92/575942892.db2.gz UWTCHRBDZDOOMG-UHFFFAOYSA-N -1 1 255.285 1.009 20 0 CDADMM Cc1ccc(CCNc2cccc(-c3nnn[n-]3)n2)o1 ZINC000737337799 575943139 /nfs/dbraw/zinc/94/31/39/575943139.db2.gz RVQBSNLOXYKGLV-UHFFFAOYSA-N -1 1 270.296 1.818 20 0 CDADMM Cc1ccc(CCNc2cccc(-c3nn[n-]n3)n2)o1 ZINC000737337799 575943142 /nfs/dbraw/zinc/94/31/42/575943142.db2.gz RVQBSNLOXYKGLV-UHFFFAOYSA-N -1 1 270.296 1.818 20 0 CDADMM C[N@@H+](CC(=O)Nc1ccsc1C(=O)[O-])CC(C)(C)O ZINC000737400171 575955791 /nfs/dbraw/zinc/95/57/91/575955791.db2.gz WJHCDSJUDQPCGL-UHFFFAOYSA-N -1 1 286.353 1.088 20 0 CDADMM CN(CC(=O)Nc1ccsc1C(=O)[O-])CC(C)(C)O ZINC000737400171 575955795 /nfs/dbraw/zinc/95/57/95/575955795.db2.gz WJHCDSJUDQPCGL-UHFFFAOYSA-N -1 1 286.353 1.088 20 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CC(C)c1nnc(CN2CCN(CCC(=O)[O-])C[C@H]2C)o1 ZINC000833512441 605190219 /nfs/dbraw/zinc/19/02/19/605190219.db2.gz WKYDCHPJSJPKON-LLVKDONJSA-N -1 1 296.371 1.174 20 0 CDADMM CC(=O)N1CCN(Cc2ccc(C(=O)[O-])cc2)C(C)(C)C1 ZINC000819737499 605201450 /nfs/dbraw/zinc/20/14/50/605201450.db2.gz TZAXAKZNKHECPD-UHFFFAOYSA-N -1 1 290.363 1.828 20 0 CDADMM C[C@@H]1CN(C(=O)Cc2ccsc2)CCN1CCC(=O)[O-] ZINC000833621013 605250510 /nfs/dbraw/zinc/25/05/10/605250510.db2.gz HLMMLEDGNLUDPN-LLVKDONJSA-N -1 1 296.392 1.298 20 0 CDADMM C[C@H]1CN(C(=O)CC2CCCC2)CCN1CCC(=O)[O-] ZINC000833620260 605256693 /nfs/dbraw/zinc/25/66/93/605256693.db2.gz WBOFNKYDPJPLNK-LBPRGKRZSA-N -1 1 282.384 1.574 20 0 CDADMM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2F)CCN1C ZINC000110760558 605842902 /nfs/dbraw/zinc/84/29/02/605842902.db2.gz BYVZBRUNFGYVFH-SNVBAGLBSA-N -1 1 266.316 1.660 20 0 CDADMM C[C@@H]1C[C@@H](O)CN1Cc1cc(C(=O)[O-])ccc1Cl ZINC000833599007 605844226 /nfs/dbraw/zinc/84/42/26/605844226.db2.gz UUSGCJJGVPNUPB-LDYMZIIASA-N -1 1 269.728 1.993 20 0 CDADMM CCCN(CCC)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821100294 606168321 /nfs/dbraw/zinc/16/83/21/606168321.db2.gz XPCUPSKVYXVUOI-UHFFFAOYSA-N -1 1 292.347 1.254 20 0 CDADMM CCCN(CCC)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821100294 606168322 /nfs/dbraw/zinc/16/83/22/606168322.db2.gz XPCUPSKVYXVUOI-UHFFFAOYSA-N -1 1 292.347 1.254 20 0 CDADMM C[C@H](CO)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820286804 606400427 /nfs/dbraw/zinc/40/04/27/606400427.db2.gz FRKPJXRUULXPNJ-MRVPVSSYSA-N -1 1 270.296 1.208 20 0 CDADMM C[C@H](CO)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820286804 606400429 /nfs/dbraw/zinc/40/04/29/606400429.db2.gz FRKPJXRUULXPNJ-MRVPVSSYSA-N -1 1 270.296 1.208 20 0 CDADMM c1cc(N[C@@H]2CCCSC2)nc(-c2nnn[n-]2)c1 ZINC000823757822 606402261 /nfs/dbraw/zinc/40/22/61/606402261.db2.gz WTJUCGWKXHAADB-MRVPVSSYSA-N -1 1 262.342 1.569 20 0 CDADMM c1cc(N[C@@H]2CCCSC2)nc(-c2nn[n-]n2)c1 ZINC000823757822 606402262 /nfs/dbraw/zinc/40/22/62/606402262.db2.gz WTJUCGWKXHAADB-MRVPVSSYSA-N -1 1 262.342 1.569 20 0 CDADMM COCCC(C)(C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821685851 606525486 /nfs/dbraw/zinc/52/54/86/606525486.db2.gz SCDNQNZDNLSDAQ-UHFFFAOYSA-N -1 1 295.368 1.473 20 0 CDADMM COCCC(C)(C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821685851 606525487 /nfs/dbraw/zinc/52/54/87/606525487.db2.gz SCDNQNZDNLSDAQ-UHFFFAOYSA-N -1 1 295.368 1.473 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H]1CCOC1 ZINC000820390182 606572659 /nfs/dbraw/zinc/57/26/59/606572659.db2.gz FVQSCSURMGHLCX-HTQZYQBOSA-N -1 1 293.352 1.083 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H]1CCOC1 ZINC000820390182 606572661 /nfs/dbraw/zinc/57/26/61/606572661.db2.gz FVQSCSURMGHLCX-HTQZYQBOSA-N -1 1 293.352 1.083 20 0 CDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCCCCC2)n1 ZINC000822608219 606597139 /nfs/dbraw/zinc/59/71/39/606597139.db2.gz BKIWWPXTPXCHHO-UHFFFAOYSA-N -1 1 290.331 1.008 20 0 CDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCCCCC2)n1 ZINC000822608219 606597141 /nfs/dbraw/zinc/59/71/41/606597141.db2.gz BKIWWPXTPXCHHO-UHFFFAOYSA-N -1 1 290.331 1.008 20 0 CDADMM C[C@@H](CC(N)=O)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820231109 606633236 /nfs/dbraw/zinc/63/32/36/606633236.db2.gz AOQACFRFECZOLE-QMMMGPOBSA-N -1 1 297.322 1.091 20 0 CDADMM C[C@@H](CC(N)=O)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820231109 606633237 /nfs/dbraw/zinc/63/32/37/606633237.db2.gz AOQACFRFECZOLE-QMMMGPOBSA-N -1 1 297.322 1.091 20 0 CDADMM CCCCOCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821072576 606650164 /nfs/dbraw/zinc/65/01/64/606650164.db2.gz TYSUWLOLFGTDCK-UHFFFAOYSA-N -1 1 291.311 1.122 20 0 CDADMM CCCCOCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821072576 606650165 /nfs/dbraw/zinc/65/01/65/606650165.db2.gz TYSUWLOLFGTDCK-UHFFFAOYSA-N -1 1 291.311 1.122 20 0 CDADMM C[C@@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1ccco1 ZINC000819884194 606651496 /nfs/dbraw/zinc/65/14/96/606651496.db2.gz TXXIKIUJEDBFPX-SECBINFHSA-N -1 1 299.290 1.702 20 0 CDADMM C[C@@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1ccco1 ZINC000819884194 606651497 /nfs/dbraw/zinc/65/14/97/606651497.db2.gz TXXIKIUJEDBFPX-SECBINFHSA-N -1 1 299.290 1.702 20 0 CDADMM CC[C@H](CCO)CNc1cccc(-c2nnn[n-]2)n1 ZINC000820901610 606724284 /nfs/dbraw/zinc/72/42/84/606724284.db2.gz COCFIPWKHVLYBL-SECBINFHSA-N -1 1 262.317 1.082 20 0 CDADMM CC[C@H](CCO)CNc1cccc(-c2nn[n-]n2)n1 ZINC000820901610 606724285 /nfs/dbraw/zinc/72/42/85/606724285.db2.gz COCFIPWKHVLYBL-SECBINFHSA-N -1 1 262.317 1.082 20 0 CDADMM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820684687 606879483 /nfs/dbraw/zinc/87/94/83/606879483.db2.gz RWJAGAWZJXHRLQ-RKDXNWHRSA-N -1 1 272.312 1.275 20 0 CDADMM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820684687 606879484 /nfs/dbraw/zinc/87/94/84/606879484.db2.gz RWJAGAWZJXHRLQ-RKDXNWHRSA-N -1 1 272.312 1.275 20 0 CDADMM CSC[C@@H](C)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821956361 607104823 /nfs/dbraw/zinc/10/48/23/607104823.db2.gz MYBDMVRSCBDLQO-RXMQYKEDSA-N -1 1 284.370 1.261 20 0 CDADMM CSC[C@@H](C)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821956361 607104825 /nfs/dbraw/zinc/10/48/25/607104825.db2.gz MYBDMVRSCBDLQO-RXMQYKEDSA-N -1 1 284.370 1.261 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@@H]2CCOC3(CCC3)C2)n1 ZINC000823809937 607133636 /nfs/dbraw/zinc/13/36/36/607133636.db2.gz SCPIGSINTFAZRK-SECBINFHSA-N -1 1 287.327 1.170 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@@H]2CCOC3(CCC3)C2)n1 ZINC000823809937 607133638 /nfs/dbraw/zinc/13/36/38/607133638.db2.gz SCPIGSINTFAZRK-SECBINFHSA-N -1 1 287.327 1.170 20 0 CDADMM Cc1cncc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000822399593 607185453 /nfs/dbraw/zinc/18/54/53/607185453.db2.gz KMMHBMYLBHZFMS-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1cncc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000822399593 607185454 /nfs/dbraw/zinc/18/54/54/607185454.db2.gz KMMHBMYLBHZFMS-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Fc1cccc(OCC2CCOCC2)c1-c1nnn[n-]1 ZINC000826377787 607864801 /nfs/dbraw/zinc/86/48/01/607864801.db2.gz GAXDBBDSAURCBO-UHFFFAOYSA-N -1 1 278.287 1.811 20 0 CDADMM Fc1cccc(OCC2CCOCC2)c1-c1nn[n-]n1 ZINC000826377787 607864802 /nfs/dbraw/zinc/86/48/02/607864802.db2.gz GAXDBBDSAURCBO-UHFFFAOYSA-N -1 1 278.287 1.811 20 0 CDADMM CC(C)Cn1ccnc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824280566 607991042 /nfs/dbraw/zinc/99/10/42/607991042.db2.gz OVFUUNRZXBSEHC-UHFFFAOYSA-N -1 1 299.342 1.121 20 0 CDADMM CC(C)Cn1ccnc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824280566 607991043 /nfs/dbraw/zinc/99/10/43/607991043.db2.gz OVFUUNRZXBSEHC-UHFFFAOYSA-N -1 1 299.342 1.121 20 0 CDADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826455019 607996454 /nfs/dbraw/zinc/99/64/54/607996454.db2.gz VVENSCOHJKIDEF-UHFFFAOYSA-N -1 1 288.242 1.292 20 0 CDADMM O=C(Cn1ccnc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000826424780 608147854 /nfs/dbraw/zinc/14/78/54/608147854.db2.gz CQGJOUXWEFWCLE-UHFFFAOYSA-N -1 1 290.233 1.224 20 0 CDADMM O=C(Cn1ccnc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000826424780 608147856 /nfs/dbraw/zinc/14/78/56/608147856.db2.gz CQGJOUXWEFWCLE-UHFFFAOYSA-N -1 1 290.233 1.224 20 0 CDADMM C[C@H]1C[C@@H](CNc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000824883874 608195524 /nfs/dbraw/zinc/19/55/24/608195524.db2.gz JTJGXNWXSHWBSX-UWVGGRQHSA-N -1 1 274.328 1.489 20 0 CDADMM C[C@H]1C[C@@H](CNc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000824883874 608195525 /nfs/dbraw/zinc/19/55/25/608195525.db2.gz JTJGXNWXSHWBSX-UWVGGRQHSA-N -1 1 274.328 1.489 20 0 CDADMM CCc1cccc(Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000825723136 608388275 /nfs/dbraw/zinc/38/82/75/608388275.db2.gz RZBWOZGTYIKMDS-UHFFFAOYSA-N -1 1 267.296 1.963 20 0 CDADMM CCc1cccc(Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000825723136 608388276 /nfs/dbraw/zinc/38/82/76/608388276.db2.gz RZBWOZGTYIKMDS-UHFFFAOYSA-N -1 1 267.296 1.963 20 0 CDADMM C[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824927887 608396928 /nfs/dbraw/zinc/39/69/28/608396928.db2.gz QYUVNNWEEQPVPI-IUCAKERBSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824927887 608396930 /nfs/dbraw/zinc/39/69/30/608396930.db2.gz QYUVNNWEEQPVPI-IUCAKERBSA-N -1 1 259.317 1.647 20 0 CDADMM CCO[C@H](CCNc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC000825576597 608427982 /nfs/dbraw/zinc/42/79/82/608427982.db2.gz LHVWMWBNLXADBC-LLVKDONJSA-N -1 1 291.359 1.520 20 0 CDADMM CCO[C@H](CCNc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC000825576597 608427983 /nfs/dbraw/zinc/42/79/83/608427983.db2.gz LHVWMWBNLXADBC-LLVKDONJSA-N -1 1 291.359 1.520 20 0 CDADMM COC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC000826151577 608428801 /nfs/dbraw/zinc/42/88/01/608428801.db2.gz DUVMYSXVWZLYPR-VIFPVBQESA-N -1 1 287.283 1.049 20 0 CDADMM COC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC000826151577 608428804 /nfs/dbraw/zinc/42/88/04/608428804.db2.gz DUVMYSXVWZLYPR-VIFPVBQESA-N -1 1 287.283 1.049 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000826513985 608438289 /nfs/dbraw/zinc/43/82/89/608438289.db2.gz CLNIZJAHUJHKAF-XXILOJSOSA-N -1 1 299.338 1.026 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000826513985 608438290 /nfs/dbraw/zinc/43/82/90/608438290.db2.gz CLNIZJAHUJHKAF-XXILOJSOSA-N -1 1 299.338 1.026 20 0 CDADMM FC(F)(F)CCCCn1ccnc1-c1nnn[n-]1 ZINC000826367518 608888781 /nfs/dbraw/zinc/88/87/81/608888781.db2.gz BVEOBXUXIJZCEX-UHFFFAOYSA-N -1 1 260.223 1.796 20 0 CDADMM FC(F)(F)CCCCn1ccnc1-c1nn[n-]n1 ZINC000826367518 608888784 /nfs/dbraw/zinc/88/87/84/608888784.db2.gz BVEOBXUXIJZCEX-UHFFFAOYSA-N -1 1 260.223 1.796 20 0 CDADMM CCCc1nnc(NCc2ccc(-c3nn[n-]n3)s2)o1 ZINC000825351838 609265988 /nfs/dbraw/zinc/26/59/88/609265988.db2.gz JSFISAYBHDRYQF-UHFFFAOYSA-N -1 1 291.340 1.876 20 0 CDADMM C[C@@H]1CCC[C@H](Cn2cccc(-c3nn[n-]n3)c2=O)C1 ZINC000824925098 609377307 /nfs/dbraw/zinc/37/73/07/609377307.db2.gz AQDXMUOLUUSUCA-MNOVXSKESA-N -1 1 273.340 1.855 20 0 CDADMM CC(C)(C)N1C[C@H](C(=O)[N-]OC/C=C/Cl)CC1=O ZINC000812404485 617303990 /nfs/dbraw/zinc/30/39/90/617303990.db2.gz DWBTVVGQXPIZGJ-XNPJLODASA-N -1 1 274.748 1.434 20 0 CDADMM O=C([N-]CCOC1CCSCC1)C(F)(F)F ZINC000891232384 617388355 /nfs/dbraw/zinc/38/83/55/617388355.db2.gz SWVUKMFDQKRWNA-UHFFFAOYSA-N -1 1 257.277 1.577 20 0 CDADMM CCC(C)(CC)C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970753592 614514578 /nfs/dbraw/zinc/51/45/78/614514578.db2.gz RDUXDJUFGOEIEQ-SNVBAGLBSA-N -1 1 295.387 1.027 20 0 CDADMM COCc1nc(NC[C@@](C)(O)c2ccccc2)cc(=O)[n-]1 ZINC000892534714 617482830 /nfs/dbraw/zinc/48/28/30/617482830.db2.gz UAAPAWBJWXZITL-OAHLLOKOSA-N -1 1 289.335 1.648 20 0 CDADMM CCN(C(=O)c1ncccc1[O-])C1CN(C/C=C/Cl)C1 ZINC000949952186 614796283 /nfs/dbraw/zinc/79/62/83/614796283.db2.gz KPGDGBLRZHOHDZ-GQCTYLIASA-N -1 1 295.770 1.686 20 0 CDADMM CC(C)[C@@H](F)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891618556 617507098 /nfs/dbraw/zinc/50/70/98/617507098.db2.gz QEBLHHFHNAYLDW-SNVBAGLBSA-N -1 1 267.304 1.994 20 0 CDADMM COCc1nc(N[C@H]2CCCc3c2cnn3C)cc(=O)[n-]1 ZINC000891755605 617570843 /nfs/dbraw/zinc/57/08/43/617570843.db2.gz NNSOYVSXEQALCU-JTQLQIEISA-N -1 1 289.339 1.552 20 0 CDADMM C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)c1nn[n-]n1 ZINC000892954684 617978316 /nfs/dbraw/zinc/97/83/16/617978316.db2.gz PZLKZSZEACUOBF-ZETCQYMHSA-N -1 1 281.703 1.283 20 0 CDADMM O=C(OC[C@H]1CCCO1)c1nn(-c2ccccc2)cc1[O-] ZINC000925267436 620741457 /nfs/dbraw/zinc/74/14/57/620741457.db2.gz HYCKANPZZJNGEG-GFCCVEGCSA-N -1 1 288.303 1.914 20 0 CDADMM COCc1nc(NCCCNc2ccccn2)cc(=O)[n-]1 ZINC000891871205 617696756 /nfs/dbraw/zinc/69/67/56/617696756.db2.gz WXUFCKRTCOZXQN-UHFFFAOYSA-N -1 1 289.339 1.638 20 0 CDADMM CCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000219519076 617697149 /nfs/dbraw/zinc/69/71/49/617697149.db2.gz YWZBOYIBYHTTAX-WDEREUQCSA-N -1 1 256.346 1.088 20 0 CDADMM CCC[C@H](C)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000219519076 617697153 /nfs/dbraw/zinc/69/71/53/617697153.db2.gz YWZBOYIBYHTTAX-WDEREUQCSA-N -1 1 256.346 1.088 20 0 CDADMM COC(=O)C1=NO[C@H](CSc2nc(C)c(C)c(=O)[n-]2)C1 ZINC000776867288 617708969 /nfs/dbraw/zinc/70/89/69/617708969.db2.gz GYQXXWOZKUNESS-QMMMGPOBSA-N -1 1 297.336 1.209 20 0 CDADMM CC(C)OC(=O)c1cc(NC(=O)[C@@H]2CCCOCC2)n[nH]1 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/nfs/dbraw/zinc/73/43/39/1163734339.db2.gz AJJWNXNUJPIKRU-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM Cc1cnc(NCc2nc(-c3nn[n-]n3)cs2)nc1 ZINC001605980418 1163734345 /nfs/dbraw/zinc/73/43/45/1163734345.db2.gz AJJWNXNUJPIKRU-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM Cc1nc(N[C@@H](C)C2CCC2)cc(-c2nnn[n-]2)n1 ZINC001606059679 1163759096 /nfs/dbraw/zinc/75/90/96/1163759096.db2.gz LCOJSOALRPNGRK-ZETCQYMHSA-N -1 1 259.317 1.566 20 0 CDADMM Cc1nc(N[C@@H](C)C2CCC2)cc(-c2nn[n-]n2)n1 ZINC001606059679 1163759104 /nfs/dbraw/zinc/75/91/04/1163759104.db2.gz LCOJSOALRPNGRK-ZETCQYMHSA-N -1 1 259.317 1.566 20 0 CDADMM FCCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001606302932 1163847843 /nfs/dbraw/zinc/84/78/43/1163847843.db2.gz PTTRFQSNOIWBHJ-UHFFFAOYSA-N -1 1 277.307 1.233 20 0 CDADMM FCCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001606302932 1163847854 /nfs/dbraw/zinc/84/78/54/1163847854.db2.gz PTTRFQSNOIWBHJ-UHFFFAOYSA-N -1 1 277.307 1.233 20 0 CDADMM O=C(Cc1ccccc1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001606604083 1163936295 /nfs/dbraw/zinc/93/62/95/1163936295.db2.gz GLNHNIFFCSSSCB-UHFFFAOYSA-N -1 1 299.359 1.787 20 0 CDADMM O=C(Nc1ccnn1C1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001606944691 1164036183 /nfs/dbraw/zinc/03/61/83/1164036183.db2.gz BXEIWLLWZPQPGE-UHFFFAOYSA-N -1 1 296.294 1.045 20 0 CDADMM O=C(Nc1ccnn1C1CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001606944691 1164036188 /nfs/dbraw/zinc/03/61/88/1164036188.db2.gz BXEIWLLWZPQPGE-UHFFFAOYSA-N -1 1 296.294 1.045 20 0 CDADMM O=C(O[C@@H]1C=CCC1)c1csc(-c2nnn[n-]2)c1 ZINC001606963132 1164039279 /nfs/dbraw/zinc/03/92/79/1164039279.db2.gz UOTKVTHXQZTXGR-MRVPVSSYSA-N -1 1 262.294 1.804 20 0 CDADMM O=C(OC[C@@]12C[C@@H]1CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001606964865 1164041320 /nfs/dbraw/zinc/04/13/20/1164041320.db2.gz BQKLMIYVWSIWJP-XHDPSFHLSA-N -1 1 299.334 1.999 20 0 CDADMM O=C(OC[C@@]12C[C@@H]1CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001606964865 1164041326 /nfs/dbraw/zinc/04/13/26/1164041326.db2.gz BQKLMIYVWSIWJP-XHDPSFHLSA-N -1 1 299.334 1.999 20 0 CDADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1C[C@@H]2C[C@@H]2C1 ZINC001607006378 1164059418 /nfs/dbraw/zinc/05/94/18/1164059418.db2.gz JKSIIRBUHQFVRS-OCAPTIKFSA-N -1 1 291.261 1.237 20 0 CDADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1C[C@@H]2C[C@@H]2C1 ZINC001607006378 1164059422 /nfs/dbraw/zinc/05/94/22/1164059422.db2.gz JKSIIRBUHQFVRS-OCAPTIKFSA-N -1 1 291.261 1.237 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ncn1C/C=C/c1ccccc1 ZINC001607090763 1164077506 /nfs/dbraw/zinc/07/75/06/1164077506.db2.gz YKABFLKVJZONBP-QPJJXVBHSA-N -1 1 280.291 1.137 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC001607116497 1164097197 /nfs/dbraw/zinc/09/71/97/1164097197.db2.gz MSKFPJCXARKCNH-OYNCUSHFSA-N -1 1 257.301 1.257 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC001607116497 1164097204 /nfs/dbraw/zinc/09/72/04/1164097204.db2.gz MSKFPJCXARKCNH-OYNCUSHFSA-N -1 1 257.301 1.257 20 0 CDADMM c1cc([C@@H]2CCCN2Cc2ccc(-c3nnn[n-]3)o2)n[nH]1 ZINC001607117843 1164098466 /nfs/dbraw/zinc/09/84/66/1164098466.db2.gz JARSEOWUVGNRIB-NSHDSACASA-N -1 1 285.311 1.520 20 0 CDADMM c1cc([C@@H]2CCCN2Cc2ccc(-c3nn[n-]n3)o2)n[nH]1 ZINC001607117843 1164098470 /nfs/dbraw/zinc/09/84/70/1164098470.db2.gz JARSEOWUVGNRIB-NSHDSACASA-N -1 1 285.311 1.520 20 0 CDADMM c1cc(N2CC[C@@H]3CCC[C@@H]32)nc(-c2nn[n-]n2)n1 ZINC001607120260 1164103034 /nfs/dbraw/zinc/10/30/34/1164103034.db2.gz WYCJTOZLLIUTOL-IUCAKERBSA-N -1 1 257.301 1.036 20 0 CDADMM c1ccc(CN(c2cnc(-c3nnn[n-]3)cn2)C2CC2)cc1 ZINC001607127929 1164107980 /nfs/dbraw/zinc/10/79/80/1164107980.db2.gz AAEMTGKCFMPSNG-UHFFFAOYSA-N -1 1 293.334 1.826 20 0 CDADMM c1ccc(CN(c2cnc(-c3nn[n-]n3)cn2)C2CC2)cc1 ZINC001607127929 1164107981 /nfs/dbraw/zinc/10/79/81/1164107981.db2.gz AAEMTGKCFMPSNG-UHFFFAOYSA-N -1 1 293.334 1.826 20 0 CDADMM c1nc(Sc2ncncc2-c2nnn[n-]2)n2ccccc12 ZINC001607133088 1164108009 /nfs/dbraw/zinc/10/80/09/1164108009.db2.gz LZUVYQKDAJKAEA-UHFFFAOYSA-N -1 1 296.319 1.456 20 0 CDADMM c1nc(Sc2ncncc2-c2nn[n-]n2)n2ccccc12 ZINC001607133088 1164108010 /nfs/dbraw/zinc/10/80/10/1164108010.db2.gz LZUVYQKDAJKAEA-UHFFFAOYSA-N -1 1 296.319 1.456 20 0 CDADMM c1ccc([C@@H]2C[C@H]2CNc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001607130727 1164109253 /nfs/dbraw/zinc/10/92/53/1164109253.db2.gz HHLAQNLPHOYHCT-JSGCOSHPSA-N -1 1 292.346 1.899 20 0 CDADMM c1ccc([C@@H]2C[C@H]2CNc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001607130727 1164109256 /nfs/dbraw/zinc/10/92/56/1164109256.db2.gz HHLAQNLPHOYHCT-JSGCOSHPSA-N -1 1 292.346 1.899 20 0 CDADMM c1cnc2cc(Oc3cncc(-c4nnn[n-]4)n3)ccc2n1 ZINC001607136343 1164116318 /nfs/dbraw/zinc/11/63/18/1164116318.db2.gz VXYUVZNAPNRCIB-UHFFFAOYSA-N -1 1 292.262 1.392 20 0 CDADMM c1cnc2cc(Oc3cncc(-c4nn[n-]n4)n3)ccc2n1 ZINC001607136343 1164116321 /nfs/dbraw/zinc/11/63/21/1164116321.db2.gz VXYUVZNAPNRCIB-UHFFFAOYSA-N -1 1 292.262 1.392 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NCC12CCC(CC1)C2 ZINC001607136590 1164116668 /nfs/dbraw/zinc/11/66/68/1164116668.db2.gz KZPYJAUKAMEIST-UHFFFAOYSA-N -1 1 271.328 1.649 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NCC12CCC(CC1)C2 ZINC001607136590 1164116672 /nfs/dbraw/zinc/11/66/72/1164116672.db2.gz KZPYJAUKAMEIST-UHFFFAOYSA-N -1 1 271.328 1.649 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1N[C@H]1CCCC2(CC2)C1 ZINC001607137056 1164116794 /nfs/dbraw/zinc/11/67/94/1164116794.db2.gz ZSJPLPLCKPNBMJ-VIFPVBQESA-N -1 1 271.328 1.791 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1N[C@H]1CCCC2(CC2)C1 ZINC001607137056 1164116799 /nfs/dbraw/zinc/11/67/99/1164116799.db2.gz ZSJPLPLCKPNBMJ-VIFPVBQESA-N -1 1 271.328 1.791 20 0 CDADMM c1ncc(N2CCCC23CCCCC3)nc1-c1nnn[n-]1 ZINC001607139035 1164119888 /nfs/dbraw/zinc/11/98/88/1164119888.db2.gz TXYQFIZWCCCEIK-UHFFFAOYSA-N -1 1 285.355 1.960 20 0 CDADMM c1ncc(N2CCCC23CCCCC3)nc1-c1nn[n-]n1 ZINC001607139035 1164119893 /nfs/dbraw/zinc/11/98/93/1164119893.db2.gz TXYQFIZWCCCEIK-UHFFFAOYSA-N -1 1 285.355 1.960 20 0 CDADMM COc1ccc(CN2CC(C(=O)[O-])C2)c(C)c1OC ZINC001607253287 1164136480 /nfs/dbraw/zinc/13/64/80/1164136480.db2.gz QIWRVJAMSTYMJI-UHFFFAOYSA-N -1 1 265.309 1.529 20 0 CDADMM COc1cccc([C@H](NCc2n[nH]c(C)n2)C(=O)[O-])c1 ZINC001607331662 1164149414 /nfs/dbraw/zinc/14/94/14/1164149414.db2.gz FRFDLDVJYAPJDZ-LBPRGKRZSA-N -1 1 276.296 1.037 20 0 CDADMM C[C@H](C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)N(C)C ZINC001607449263 1164185837 /nfs/dbraw/zinc/18/58/37/1164185837.db2.gz HMMBBURFOLFBTQ-MFKMUULPSA-N -1 1 276.336 1.147 20 0 CDADMM C[C@H]1CN(C[C@@]2(C)CCCCO2)C[C@@H](C(=O)[O-])O1 ZINC001607476448 1164197057 /nfs/dbraw/zinc/19/70/57/1164197057.db2.gz RRZGAVOMOZCMLU-GMXVVIOVSA-N -1 1 257.330 1.120 20 0 CDADMM Cc1cc(CN2C[C@H](O)C[C@H](C(=O)[O-])C2)cc(Cl)n1 ZINC001607637703 1164245823 /nfs/dbraw/zinc/24/58/23/1164245823.db2.gz HFNDYNJMZOTHNG-WDEREUQCSA-N -1 1 284.743 1.311 20 0 CDADMM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1cn[nH]c1 ZINC001607661548 1164263282 /nfs/dbraw/zinc/26/32/82/1164263282.db2.gz UHNRBHDHICBSSQ-UHFFFAOYSA-N -1 1 299.283 1.356 20 0 CDADMM Cc1ccccc1NC(=O)[C@H](C)N[C@@H](C(=O)[O-])C1CC1 ZINC001607885956 1164321414 /nfs/dbraw/zinc/32/14/14/1164321414.db2.gz SWPWUGUCYWUFPP-GXFFZTMASA-N -1 1 276.336 1.775 20 0 CDADMM Cc1noc(CN2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)n1 ZINC001608027830 1164383952 /nfs/dbraw/zinc/38/39/52/1164383952.db2.gz IJXIIQFMVTUSPL-CHWSQXEVSA-N -1 1 287.319 1.678 20 0 CDADMM Cn1cc(C(F)F)c(CNC2CC(CC(=O)[O-])C2)n1 ZINC001608105462 1164409850 /nfs/dbraw/zinc/40/98/50/1164409850.db2.gz FLZTYEBLJRSCQP-UHFFFAOYSA-N -1 1 273.283 1.701 20 0 CDADMM O=C([O-])[C@H](CF)NCc1cccc(Br)c1 ZINC001608534233 1164529246 /nfs/dbraw/zinc/52/92/46/1164529246.db2.gz RHJIPPHDVIIOLY-VIFPVBQESA-N -1 1 276.105 1.961 20 0 CDADMM O=C([O-])C1(CNS(=O)(=O)c2ccccc2O)CCCC1 ZINC001608570540 1164550565 /nfs/dbraw/zinc/55/05/65/1164550565.db2.gz GWNKKKJJHLWJLI-UHFFFAOYSA-N -1 1 299.348 1.316 20 0 CDADMM O=C([O-])[C@@H]1CSCCN1C(=O)c1cccc2c[nH]nc21 ZINC001608650699 1164590865 /nfs/dbraw/zinc/59/08/65/1164590865.db2.gz XRAKWOBUUJXCFI-JTQLQIEISA-N -1 1 291.332 1.205 20 0 CDADMM O=C([O-])CNC(=O)CNCc1csc2ccccc12 ZINC001608752803 1164628546 /nfs/dbraw/zinc/62/85/46/1164628546.db2.gz QUWMVXHOZFFFTI-UHFFFAOYSA-N -1 1 278.333 1.192 20 0 CDADMM O=C([O-])c1ccc(N2CCN(CCOC3CC3)CC2)s1 ZINC001608898776 1164679843 /nfs/dbraw/zinc/67/98/43/1164679843.db2.gz NGWNJEBBHDSCJN-UHFFFAOYSA-N -1 1 296.392 1.747 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)OCc1nc[nH]c1C(F)(F)F ZINC001609024010 1164732140 /nfs/dbraw/zinc/73/21/40/1164732140.db2.gz JVXFLDVJRDNDHF-UHNVWZDZSA-N -1 1 278.186 1.192 20 0 CDADMM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC001609113385 1164775597 /nfs/dbraw/zinc/77/55/97/1164775597.db2.gz QSMPTWIXQJEEGI-ZETCQYMHSA-N -1 1 261.285 1.236 20 0 CDADMM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC001609113385 1164775608 /nfs/dbraw/zinc/77/56/08/1164775608.db2.gz QSMPTWIXQJEEGI-ZETCQYMHSA-N -1 1 261.285 1.236 20 0 CDADMM CC1(C)C[C@H]1C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001609144338 1164793907 /nfs/dbraw/zinc/79/39/07/1164793907.db2.gz RGHZDRZQVXZTRI-LURJTMIESA-N -1 1 279.325 1.413 20 0 CDADMM CC1(C)C[C@H]1C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001609144338 1164793912 /nfs/dbraw/zinc/79/39/12/1164793912.db2.gz RGHZDRZQVXZTRI-LURJTMIESA-N -1 1 279.325 1.413 20 0 CDADMM C[C@]1(CNC(=O)c2csc(-c3nn[n-]n3)c2)CCOC1 ZINC001609149513 1164795396 /nfs/dbraw/zinc/79/53/96/1164795396.db2.gz PBJJBAXZGMZMTQ-GFCCVEGCSA-N -1 1 293.352 1.085 20 0 CDADMM C[C@]1(CNc2ccnc(-c3nnn[n-]3)c2)CCCS1 ZINC001609149511 1164796282 /nfs/dbraw/zinc/79/62/82/1164796282.db2.gz PAOBSCLUWNVHRG-GFCCVEGCSA-N -1 1 276.369 1.381 20 0 CDADMM C[C@]1(CNc2ccnc(-c3nn[n-]n3)c2)CCCS1 ZINC001609149511 1164796290 /nfs/dbraw/zinc/79/62/90/1164796290.db2.gz PAOBSCLUWNVHRG-GFCCVEGCSA-N -1 1 276.369 1.381 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)OCc2cccnc2-c2nnn[n-]2)C1 ZINC001609161754 1164808931 /nfs/dbraw/zinc/80/89/31/1164808931.db2.gz YYCSPDIGBXVWTI-ZJUUUORDSA-N -1 1 287.323 1.741 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)OCc2cccnc2-c2nn[n-]n2)C1 ZINC001609161754 1164808935 /nfs/dbraw/zinc/80/89/35/1164808935.db2.gz YYCSPDIGBXVWTI-ZJUUUORDSA-N -1 1 287.323 1.741 20 0 CDADMM C[C@@H]1CCC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001609163220 1164811717 /nfs/dbraw/zinc/81/17/17/1164811717.db2.gz USLPDSXGVRWIJY-ZJUUUORDSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)C[C@H]1F ZINC001609168905 1164813469 /nfs/dbraw/zinc/81/34/69/1164813469.db2.gz QPTOHDLUEYBGQH-WCBMZHEXSA-N -1 1 262.292 1.446 20 0 CDADMM C[C@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)C[C@H]1F ZINC001609168905 1164813475 /nfs/dbraw/zinc/81/34/75/1164813475.db2.gz QPTOHDLUEYBGQH-WCBMZHEXSA-N -1 1 262.292 1.446 20 0 CDADMM CC[C@H](C)[C@H](OC)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609185245 1164825712 /nfs/dbraw/zinc/82/57/12/1164825712.db2.gz CRWKFCQIRPDBPY-KWQFWETISA-N -1 1 290.327 1.261 20 0 CDADMM CC[C@H](C)[C@H](OC)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609185245 1164825720 /nfs/dbraw/zinc/82/57/20/1164825720.db2.gz CRWKFCQIRPDBPY-KWQFWETISA-N -1 1 290.327 1.261 20 0 CDADMM CCN(c1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H](C)CO ZINC001609226946 1164859099 /nfs/dbraw/zinc/85/90/99/1164859099.db2.gz VMEUYUQCURHGRM-ZETCQYMHSA-N -1 1 282.735 1.122 20 0 CDADMM CCN(c1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H](C)CO ZINC001609226946 1164859103 /nfs/dbraw/zinc/85/91/03/1164859103.db2.gz VMEUYUQCURHGRM-ZETCQYMHSA-N -1 1 282.735 1.122 20 0 CDADMM CO[C@H](C)CCNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001609308413 1164884944 /nfs/dbraw/zinc/88/49/44/1164884944.db2.gz LMAGJXZSAKTGMT-SECBINFHSA-N -1 1 262.317 1.407 20 0 CDADMM CO[C@H](C)CCNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001609308413 1164884953 /nfs/dbraw/zinc/88/49/53/1164884953.db2.gz LMAGJXZSAKTGMT-SECBINFHSA-N -1 1 262.317 1.407 20 0 CDADMM COC[C@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ccco1 ZINC001609318402 1164897176 /nfs/dbraw/zinc/89/71/76/1164897176.db2.gz XYAZJRFMBLWHTH-VIFPVBQESA-N -1 1 287.283 1.049 20 0 CDADMM COC[C@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ccco1 ZINC001609318402 1164897181 /nfs/dbraw/zinc/89/71/81/1164897181.db2.gz XYAZJRFMBLWHTH-VIFPVBQESA-N -1 1 287.283 1.049 20 0 CDADMM COCC1(CCNc2cccc(-c3nnn[n-]3)n2)CCC1 ZINC001609319225 1164898358 /nfs/dbraw/zinc/89/83/58/1164898358.db2.gz LBERHVLOAVTQLT-UHFFFAOYSA-N -1 1 288.355 1.880 20 0 CDADMM COCC1(CCNc2cccc(-c3nn[n-]n3)n2)CCC1 ZINC001609319225 1164898365 /nfs/dbraw/zinc/89/83/65/1164898365.db2.gz LBERHVLOAVTQLT-UHFFFAOYSA-N -1 1 288.355 1.880 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCCOc2ccccc2)n1 ZINC001609392270 1164925021 /nfs/dbraw/zinc/92/50/21/1164925021.db2.gz KTPWFPUFEDYQQY-UHFFFAOYSA-N -1 1 297.322 1.456 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCCOc2ccccc2)n1 ZINC001609392270 1164925029 /nfs/dbraw/zinc/92/50/29/1164925029.db2.gz KTPWFPUFEDYQQY-UHFFFAOYSA-N -1 1 297.322 1.456 20 0 CDADMM Cc1ccn(CC2=CCCC2)c(=O)c1-c1nn[n-]n1 ZINC001609437618 1164946486 /nfs/dbraw/zinc/94/64/86/1164946486.db2.gz OTGYVCVDEVUUCJ-UHFFFAOYSA-N -1 1 257.297 1.447 20 0 CDADMM O=C(Nc1cccc(F)c1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609567590 1164989978 /nfs/dbraw/zinc/98/99/78/1164989978.db2.gz XSZVIQURCXHLSL-UHFFFAOYSA-N -1 1 284.254 1.653 20 0 CDADMM O=C(Nc1cccc(F)c1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609567590 1164989980 /nfs/dbraw/zinc/98/99/80/1164989980.db2.gz XSZVIQURCXHLSL-UHFFFAOYSA-N -1 1 284.254 1.653 20 0 CDADMM CC(=O)C1(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)CC1 ZINC001609567675 1164989993 /nfs/dbraw/zinc/98/99/93/1164989993.db2.gz DFWBYGSKVWTCGN-UHFFFAOYSA-N -1 1 287.275 1.569 20 0 CDADMM O=C(NOCCC1CC1)c1ccc(-c2nnn[n-]2)s1 ZINC001609560080 1164990362 /nfs/dbraw/zinc/99/03/62/1164990362.db2.gz TVEUKLCSTGZTKG-UHFFFAOYSA-N -1 1 279.325 1.390 20 0 CDADMM O=C(NOCCC1CC1)c1ccc(-c2nn[n-]n2)s1 ZINC001609560080 1164990364 /nfs/dbraw/zinc/99/03/64/1164990364.db2.gz TVEUKLCSTGZTKG-UHFFFAOYSA-N -1 1 279.325 1.390 20 0 CDADMM OC[C@@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001609609208 1165004781 /nfs/dbraw/zinc/00/47/81/1165004781.db2.gz HJFKFCLIXUZDHB-MRVPVSSYSA-N -1 1 294.746 1.124 20 0 CDADMM OC[C@@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001609609208 1165004788 /nfs/dbraw/zinc/00/47/88/1165004788.db2.gz HJFKFCLIXUZDHB-MRVPVSSYSA-N -1 1 294.746 1.124 20 0 CDADMM c1ccc(C[C@@H]2C[C@H]2Nc2ncncc2-c2nn[n-]n2)cc1 ZINC001609617176 1165013106 /nfs/dbraw/zinc/01/31/06/1165013106.db2.gz YYVSBIBBKKOLJP-DGCLKSJQSA-N -1 1 293.334 1.700 20 0 CDADMM C[C@@H](N[C@H](C(=O)[O-])C1CC1)C(=O)N(C)c1ccccc1 ZINC001609773966 1165075126 /nfs/dbraw/zinc/07/51/26/1165075126.db2.gz JBGKLUSRWCSOIE-MFKMUULPSA-N -1 1 276.336 1.491 20 0 CDADMM C[C@H]1CN(C(=O)/C=C/c2ccc[nH]2)CCN1CCC(=O)[O-] ZINC001609866391 1165120800 /nfs/dbraw/zinc/12/08/00/1165120800.db2.gz ZYRXKQBNFBNGGQ-ITKZLYELSA-N -1 1 291.351 1.035 20 0 CDADMM CCc1oc(CNCc2n[nH]c(C3CC3)n2)cc1C(=O)[O-] ZINC001610081091 1165209621 /nfs/dbraw/zinc/20/96/21/1165209621.db2.gz KERBWXGPMFPHIV-UHFFFAOYSA-N -1 1 290.323 1.826 20 0 CDADMM C[S@](=O)c1ccc(CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1 ZINC001610379289 1165299064 /nfs/dbraw/zinc/29/90/64/1165299064.db2.gz IMHLVHCWBNOBAR-HAKKBZAZSA-N -1 1 279.361 1.186 20 0 CDADMM Cc1ccc(C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)s1 ZINC001610483656 1165327585 /nfs/dbraw/zinc/32/75/85/1165327585.db2.gz FNFREUVWLLQITF-JTQLQIEISA-N -1 1 282.365 1.145 20 0 CDADMM Cc1cccc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c1 ZINC001610518479 1165337265 /nfs/dbraw/zinc/33/72/65/1165337265.db2.gz HTKSMOICDUQKCY-CYBMUJFWSA-N -1 1 290.363 1.616 20 0 CDADMM O=C([O-])CCNC(=O)CN1CCCC[C@H]1c1ccccc1 ZINC001610774271 1165438704 /nfs/dbraw/zinc/43/87/04/1165438704.db2.gz NALBJOFPMPIANX-AWEZNQCLSA-N -1 1 290.363 1.805 20 0 CDADMM O=C([O-])CSCCC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC001610789777 1165442979 /nfs/dbraw/zinc/44/29/79/1165442979.db2.gz APKDBKNGNFDPOA-UHFFFAOYSA-N -1 1 284.341 1.219 20 0 CDADMM O=C([O-])CSCCC(=O)Nc1nnc(C2CCC2)[nH]1 ZINC001610789777 1165442983 /nfs/dbraw/zinc/44/29/83/1165442983.db2.gz APKDBKNGNFDPOA-UHFFFAOYSA-N -1 1 284.341 1.219 20 0 CDADMM CC(C)Cn1c(Cc2nnn[n-]2)nnc1N1CCCCC1 ZINC001649188037 1165729417 /nfs/dbraw/zinc/72/94/17/1165729417.db2.gz WWGWEQFHGULSMD-UHFFFAOYSA-N -1 1 290.375 1.028 20 0 CDADMM CC(C)Cn1c(Cc2nn[n-]n2)nnc1N1CCCCC1 ZINC001649188037 1165729424 /nfs/dbraw/zinc/72/94/24/1165729424.db2.gz WWGWEQFHGULSMD-UHFFFAOYSA-N -1 1 290.375 1.028 20 0 CDADMM Cn1ccnc1CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001628089972 1166037786 /nfs/dbraw/zinc/03/77/86/1166037786.db2.gz NHWRKBBCDZUPED-UHFFFAOYSA-N -1 1 297.314 1.915 20 0 CDADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2ccno2)n1 ZINC000095193959 1166607165 /nfs/dbraw/zinc/60/71/65/1166607165.db2.gz XGIGZRJVWLVLPV-UHFFFAOYSA-N -1 1 289.324 1.554 20 0 CDADMM Cn1cncc1CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001643014157 1167217773 /nfs/dbraw/zinc/21/77/73/1167217773.db2.gz NZWBGJGYHJTDBB-UHFFFAOYSA-N -1 1 297.314 1.915 20 0 CDADMM O=C(c1cc2c[nH]ccc-2n1)N1CCC(c2nn[n-]n2)CC1 ZINC001644045138 1167289119 /nfs/dbraw/zinc/28/91/19/1167289119.db2.gz GCTLQDYVQLYOQD-UHFFFAOYSA-N -1 1 297.322 1.096 20 0 CDADMM Cn1cccc(NC(=O)c2ncc3ccccc3c2[O-])c1=O ZINC001565632957 1168160531 /nfs/dbraw/zinc/16/05/31/1168160531.db2.gz WIJTWMJQJZIVFJ-UHFFFAOYSA-N -1 1 295.298 1.891 20 0 CDADMM O=C(OCc1nn[n-]n1)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC001646887000 1168227032 /nfs/dbraw/zinc/22/70/32/1168227032.db2.gz YUKVQONFUSABKB-STQMWFEESA-N -1 1 286.335 1.902 20 0 CDADMM CO[C@H]1CCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC001649716366 1169303999 /nfs/dbraw/zinc/30/39/99/1169303999.db2.gz RMBNHOOQYARVIJ-JTQLQIEISA-N -1 1 279.340 1.475 20 0 CDADMM Brc1cnc(COCc2nn[n-]n2)s1 ZINC001650012623 1169603681 /nfs/dbraw/zinc/60/36/81/1169603681.db2.gz KRPOJCXMGGMHMV-UHFFFAOYSA-N -1 1 276.119 1.136 20 0 CDADMM CCc1ncc(C[N@H+]2CCC[C@](COC)(C(=O)[O-])C2)o1 ZINC001650146886 1169751979 /nfs/dbraw/zinc/75/19/79/1169751979.db2.gz NBJUUMHDLOHJFC-AWEZNQCLSA-N -1 1 282.340 1.550 20 0 CDADMM CCCn1c(C)nnc1CN1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC001573764217 1170764475 /nfs/dbraw/zinc/76/44/75/1170764475.db2.gz DVUYUFKQVQSVST-YIZWMMSDSA-N -1 1 292.383 1.824 20 0 CDADMM Cc1n[nH]c(CN2CC[C@H](c3ncccn3)C2)c1C(=O)[O-] ZINC001574114824 1170886211 /nfs/dbraw/zinc/88/62/11/1170886211.db2.gz ZRVHPXDVJNGKGT-JTQLQIEISA-N -1 1 287.323 1.196 20 0 CDADMM O=C(Cc1ccc(Cl)cn1)Nc1c[n-][nH]c1=O ZINC001654603511 1171623318 /nfs/dbraw/zinc/62/33/18/1171623318.db2.gz QVOLREVOKJEXJE-UHFFFAOYSA-N -1 1 252.661 1.345 20 0 CDADMM COc1cc(Oc2ncncc2-c2nnn[n-]2)ccc1F ZINC001579937270 1172306286 /nfs/dbraw/zinc/30/62/86/1172306286.db2.gz HLWORWLXZCDZLT-UHFFFAOYSA-N -1 1 288.242 1.597 20 0 CDADMM COc1cc(Oc2ncncc2-c2nn[n-]n2)ccc1F ZINC001579937270 1172306290 /nfs/dbraw/zinc/30/62/90/1172306290.db2.gz HLWORWLXZCDZLT-UHFFFAOYSA-N -1 1 288.242 1.597 20 0 CDADMM Cc1cnc(NC(=O)c2coc(-c3nnn[n-]3)c2)s1 ZINC001581320259 1172602076 /nfs/dbraw/zinc/60/20/76/1172602076.db2.gz HAJGVPFVTVWLBV-UHFFFAOYSA-N -1 1 276.281 1.477 20 0 CDADMM Cc1cnc(NC(=O)c2coc(-c3nn[n-]n3)c2)s1 ZINC001581320259 1172602082 /nfs/dbraw/zinc/60/20/82/1172602082.db2.gz HAJGVPFVTVWLBV-UHFFFAOYSA-N -1 1 276.281 1.477 20 0 CDADMM O=C(CCCc1ccccc1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001582047733 1172644001 /nfs/dbraw/zinc/64/40/01/1172644001.db2.gz PMXWYIRDKJQNEI-UHFFFAOYSA-N -1 1 297.322 1.551 20 0 CDADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CCC1 ZINC001582664891 1172686304 /nfs/dbraw/zinc/68/63/04/1172686304.db2.gz FRIDHRDVPBUCQB-UHFFFAOYSA-N -1 1 268.280 1.194 20 0 CDADMM O=C(Nc1cccnc1)c1ccsc1-c1nnn[n-]1 ZINC001582647926 1172686654 /nfs/dbraw/zinc/68/66/54/1172686654.db2.gz XTPGPHZFPJMXMJ-UHFFFAOYSA-N -1 1 272.293 1.576 20 0 CDADMM O=C(Nc1cccnc1)c1ccsc1-c1nn[n-]n1 ZINC001582647926 1172686659 /nfs/dbraw/zinc/68/66/59/1172686659.db2.gz XTPGPHZFPJMXMJ-UHFFFAOYSA-N -1 1 272.293 1.576 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1CCc1cccc(F)c1 ZINC001582806136 1172692899 /nfs/dbraw/zinc/69/28/99/1172692899.db2.gz JJZRXIBYELTQEV-UHFFFAOYSA-N -1 1 285.282 1.410 20 0 CDADMM CN(C(=O)Cc1nsc2ccccc12)c1nn[n-]n1 ZINC001586262074 1172938053 /nfs/dbraw/zinc/93/80/53/1172938053.db2.gz DUFKOOXXZLRRSM-UHFFFAOYSA-N -1 1 274.309 1.015 20 0 CDADMM O=C(CCCc1nn[n-]n1)Nc1ccc(-n2ccnc2)cc1 ZINC001588051581 1173009775 /nfs/dbraw/zinc/00/97/75/1173009775.db2.gz UBYSKOPVIJNSFY-UHFFFAOYSA-N -1 1 297.322 1.347 20 0 CDADMM CC(=Cc1ccco1)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001588772723 1173104054 /nfs/dbraw/zinc/10/40/54/1173104054.db2.gz QPJUFDOVZNERRA-FNORWQNLSA-N -1 1 285.267 1.225 20 0 CDADMM CC(C)(C)[C@H]1CCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589105844 1173124625 /nfs/dbraw/zinc/12/46/25/1173124625.db2.gz YUEWKCHTHXGRLL-SNVBAGLBSA-N -1 1 275.312 1.720 20 0 CDADMM CC(C)(C)[C@H]1CCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589105844 1173124629 /nfs/dbraw/zinc/12/46/29/1173124629.db2.gz YUEWKCHTHXGRLL-SNVBAGLBSA-N -1 1 275.312 1.720 20 0 CDADMM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589491641 1173149548 /nfs/dbraw/zinc/14/95/48/1173149548.db2.gz VPCHDANDGYPMPI-GXFFZTMASA-N -1 1 275.312 1.624 20 0 CDADMM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589491641 1173149552 /nfs/dbraw/zinc/14/95/52/1173149552.db2.gz VPCHDANDGYPMPI-GXFFZTMASA-N -1 1 275.312 1.624 20 0 CDADMM CC(C)C[C@@H]1C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001589659025 1173165193 /nfs/dbraw/zinc/16/51/93/1173165193.db2.gz XYCZMSMXNODFPN-PSASIEDQSA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)C[C@@H]1C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001589659025 1173165208 /nfs/dbraw/zinc/16/52/08/1173165208.db2.gz XYCZMSMXNODFPN-PSASIEDQSA-N -1 1 259.317 1.503 20 0 CDADMM C[C@@H](CCc1cccn1C)Nc1ncncc1-c1nn[n-]n1 ZINC001589837092 1173189383 /nfs/dbraw/zinc/18/93/83/1173189383.db2.gz UNMMFWAMTALMKK-JTQLQIEISA-N -1 1 298.354 1.428 20 0 CDADMM C[C@H](CCO)N(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001589833886 1173189914 /nfs/dbraw/zinc/18/99/14/1173189914.db2.gz HJMKKSDVUQWHGO-SSDOTTSWSA-N -1 1 282.735 1.122 20 0 CDADMM C[C@H](CCO)N(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001589833886 1173189919 /nfs/dbraw/zinc/18/99/19/1173189919.db2.gz HJMKKSDVUQWHGO-SSDOTTSWSA-N -1 1 282.735 1.122 20 0 CDADMM C[C@H](NCc1nc(-c2nnn[n-]2)cs1)c1cncs1 ZINC001589976858 1173218797 /nfs/dbraw/zinc/21/87/97/1173218797.db2.gz PBYBGRFOOHWETO-LURJTMIESA-N -1 1 293.381 1.631 20 0 CDADMM C[C@H](NCc1nc(-c2nn[n-]n2)cs1)c1cncs1 ZINC001589976858 1173218801 /nfs/dbraw/zinc/21/88/01/1173218801.db2.gz PBYBGRFOOHWETO-LURJTMIESA-N -1 1 293.381 1.631 20 0 CDADMM CC1(C)CC(Cn2ccn3ncc(-c4nn[n-]n4)c23)C1 ZINC001590081622 1173248694 /nfs/dbraw/zinc/24/86/94/1173248694.db2.gz YACBWNXZXRDUPE-UHFFFAOYSA-N -1 1 271.328 1.752 20 0 CDADMM CC1(C)C[C@@H](Sc2ccnc(-c3nn[n-]n3)n2)CO1 ZINC001590084593 1173250407 /nfs/dbraw/zinc/25/04/07/1173250407.db2.gz GLEOZSJJGROUJF-SSDOTTSWSA-N -1 1 278.341 1.316 20 0 CDADMM CC1(CCOC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001590126349 1173264966 /nfs/dbraw/zinc/26/49/66/1173264966.db2.gz CLEVTFQSDNMPRK-UHFFFAOYSA-N -1 1 273.296 1.609 20 0 CDADMM CC1(CCOC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001590126349 1173264970 /nfs/dbraw/zinc/26/49/70/1173264970.db2.gz CLEVTFQSDNMPRK-UHFFFAOYSA-N -1 1 273.296 1.609 20 0 CDADMM C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001590192654 1173287912 /nfs/dbraw/zinc/28/79/12/1173287912.db2.gz VWKOAZLUHDGKEU-HTQZYQBOSA-N -1 1 261.285 1.330 20 0 CDADMM C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590192654 1173287913 /nfs/dbraw/zinc/28/79/13/1173287913.db2.gz VWKOAZLUHDGKEU-HTQZYQBOSA-N -1 1 261.285 1.330 20 0 CDADMM C[C@H]1CC[C@H](C(=O)OCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001590227224 1173303188 /nfs/dbraw/zinc/30/31/88/1173303188.db2.gz XSIHPSOGYLBDAM-YUMQZZPRSA-N -1 1 293.352 1.803 20 0 CDADMM C[C@H]1CC[C@H](C(=O)OCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001590227224 1173303195 /nfs/dbraw/zinc/30/31/95/1173303195.db2.gz XSIHPSOGYLBDAM-YUMQZZPRSA-N -1 1 293.352 1.803 20 0 CDADMM C[C@H]1CCC[C@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590249217 1173317195 /nfs/dbraw/zinc/31/71/95/1173317195.db2.gz PSRXAKFFVBDKFM-GXSJLCMTSA-N -1 1 286.339 1.109 20 0 CDADMM C[C@H]1CCC[C@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590249217 1173317196 /nfs/dbraw/zinc/31/71/96/1173317196.db2.gz PSRXAKFFVBDKFM-GXSJLCMTSA-N -1 1 286.339 1.109 20 0 CDADMM C[C@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590249033 1173319565 /nfs/dbraw/zinc/31/95/65/1173319565.db2.gz AKEIUFWLDBAZPM-IUCAKERBSA-N -1 1 259.317 1.069 20 0 CDADMM C[C@H]1CSCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001590327321 1173358428 /nfs/dbraw/zinc/35/84/28/1173358428.db2.gz MMKBTUTUVBMTNC-SECBINFHSA-N -1 1 276.369 1.451 20 0 CDADMM C[C@H]1CSCCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001590327321 1173358434 /nfs/dbraw/zinc/35/84/34/1173358434.db2.gz MMKBTUTUVBMTNC-SECBINFHSA-N -1 1 276.369 1.451 20 0 CDADMM C[C@@H]1Cc2ccccc2[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590331242 1173361709 /nfs/dbraw/zinc/36/17/09/1173361709.db2.gz ILQZIIKDCALWOU-NOZJJQNGSA-N -1 1 293.334 1.424 20 0 CDADMM CC[C@](C)(O)CNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001590385549 1173386445 /nfs/dbraw/zinc/38/64/45/1173386445.db2.gz WMYQJSKPIXIELL-LBPRGKRZSA-N -1 1 262.317 1.143 20 0 CDADMM CC[C@](C)(O)CNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001590385549 1173386450 /nfs/dbraw/zinc/38/64/50/1173386450.db2.gz WMYQJSKPIXIELL-LBPRGKRZSA-N -1 1 262.317 1.143 20 0 CDADMM CC[C@@H](NCc1nc(-c2nnn[n-]2)cs1)C(F)F ZINC001590469809 1173422984 /nfs/dbraw/zinc/42/29/84/1173422984.db2.gz RBERJFSPIKIUEM-RXMQYKEDSA-N -1 1 274.300 1.457 20 0 CDADMM CC[C@@H](NCc1nc(-c2nn[n-]n2)cs1)C(F)F ZINC001590469809 1173422987 /nfs/dbraw/zinc/42/29/87/1173422987.db2.gz RBERJFSPIKIUEM-RXMQYKEDSA-N -1 1 274.300 1.457 20 0 CDADMM CC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC001590472511 1173425333 /nfs/dbraw/zinc/42/53/33/1173425333.db2.gz FASSXVMRXVQKHM-SCZZXKLOSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001590472511 1173425338 /nfs/dbraw/zinc/42/53/38/1173425338.db2.gz FASSXVMRXVQKHM-SCZZXKLOSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@]1(C)CN(c2cccnc2-c2nnn[n-]2)CCO1 ZINC001590489674 1173432259 /nfs/dbraw/zinc/43/22/59/1173432259.db2.gz DFJQPNNCKDOFDG-CYBMUJFWSA-N -1 1 274.328 1.267 20 0 CDADMM CC[C@]1(C)CN(c2cccnc2-c2nn[n-]n2)CCO1 ZINC001590489674 1173432262 /nfs/dbraw/zinc/43/22/62/1173432262.db2.gz DFJQPNNCKDOFDG-CYBMUJFWSA-N -1 1 274.328 1.267 20 0 CDADMM CC[C@@H]1C[C@H](C)CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590502465 1173437413 /nfs/dbraw/zinc/43/74/13/1173437413.db2.gz AJRLCVARWWAOSJ-DTWKUNHWSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@@H]1C[C@H](C)CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590502465 1173437417 /nfs/dbraw/zinc/43/74/17/1173437417.db2.gz AJRLCVARWWAOSJ-DTWKUNHWSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@@H]1C[C@H](C)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001590502885 1173441296 /nfs/dbraw/zinc/44/12/96/1173441296.db2.gz FPYCNCAQHRFFAF-DTWKUNHWSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@@H]1C[C@H](C)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001590502885 1173441302 /nfs/dbraw/zinc/44/13/02/1173441302.db2.gz FPYCNCAQHRFFAF-DTWKUNHWSA-N -1 1 259.317 1.282 20 0 CDADMM CCC[C@H](O)CCNc1snc(C)c1-c1nn[n-]n1 ZINC001590559133 1173462652 /nfs/dbraw/zinc/46/26/52/1173462652.db2.gz CBXBEWCYJDGWOL-QMMMGPOBSA-N -1 1 282.373 1.595 20 0 CDADMM CCC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccn1 ZINC001590559304 1173464213 /nfs/dbraw/zinc/46/42/13/1173464213.db2.gz NSZGSZOZKUPEEA-LLVKDONJSA-N -1 1 296.338 1.427 20 0 CDADMM CCc1nc(NCCCC2CC2)cc(-c2nnn[n-]2)n1 ZINC001590920489 1173544351 /nfs/dbraw/zinc/54/43/51/1173544351.db2.gz XLIXUVYTNBHNNR-UHFFFAOYSA-N -1 1 273.344 1.821 20 0 CDADMM CCc1nc(NCCCC2CC2)cc(-c2nn[n-]n2)n1 ZINC001590920489 1173544354 /nfs/dbraw/zinc/54/43/54/1173544354.db2.gz XLIXUVYTNBHNNR-UHFFFAOYSA-N -1 1 273.344 1.821 20 0 CDADMM CN(C(=O)/C=C\C1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590979357 1173554912 /nfs/dbraw/zinc/55/49/12/1173554912.db2.gz YKJOMCBYQCLVCR-DAXSKMNVSA-N -1 1 270.296 1.191 20 0 CDADMM CN(C(=O)/C=C\C1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590979357 1173554919 /nfs/dbraw/zinc/55/49/19/1173554919.db2.gz YKJOMCBYQCLVCR-DAXSKMNVSA-N -1 1 270.296 1.191 20 0 CDADMM CN(C(=O)c1cccc(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590994753 1173558449 /nfs/dbraw/zinc/55/84/49/1173558449.db2.gz FUWKKEPRRBKYSP-UHFFFAOYSA-N -1 1 298.281 1.677 20 0 CDADMM CN(C(=O)c1cccc(F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590994753 1173558453 /nfs/dbraw/zinc/55/84/53/1173558453.db2.gz FUWKKEPRRBKYSP-UHFFFAOYSA-N -1 1 298.281 1.677 20 0 CDADMM CN(CCCn1ccnc1-c1nnn[n-]1)c1ccccc1 ZINC001591090358 1173571175 /nfs/dbraw/zinc/57/11/75/1173571175.db2.gz FDGOCWBTPIHKSD-UHFFFAOYSA-N -1 1 283.339 1.590 20 0 CDADMM CN(CCCn1ccnc1-c1nn[n-]n1)c1ccccc1 ZINC001591090358 1173571181 /nfs/dbraw/zinc/57/11/81/1173571181.db2.gz FDGOCWBTPIHKSD-UHFFFAOYSA-N -1 1 283.339 1.590 20 0 CDADMM CN(c1cncc(-c2nnn[n-]2)n1)C1CCCCC1 ZINC001591159772 1173586773 /nfs/dbraw/zinc/58/67/73/1173586773.db2.gz FDSGGLCTCUKUCF-UHFFFAOYSA-N -1 1 259.317 1.426 20 0 CDADMM CN(c1cncc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001591159772 1173586782 /nfs/dbraw/zinc/58/67/82/1173586782.db2.gz FDSGGLCTCUKUCF-UHFFFAOYSA-N -1 1 259.317 1.426 20 0 CDADMM CO[C@@H](COC(=O)c1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC001591334572 1173615772 /nfs/dbraw/zinc/61/57/72/1173615772.db2.gz KADCMNIDTFQUFI-JTQLQIEISA-N -1 1 278.268 1.042 20 0 CDADMM CO[C@@]1(C)CCCN(c2ncncc2-c2nn[n-]n2)CC1 ZINC001591339218 1173619097 /nfs/dbraw/zinc/61/90/97/1173619097.db2.gz RLOSYSKURWEAKD-ZDUSSCGKSA-N -1 1 289.343 1.052 20 0 CDADMM CO[C@H]1CCC[C@H]1Sc1cccnc1-c1nnn[n-]1 ZINC001591363428 1173631881 /nfs/dbraw/zinc/63/18/81/1173631881.db2.gz WQKMWZNPNQIIAU-DTWKUNHWSA-N -1 1 277.353 1.921 20 0 CDADMM CO[C@H]1CCC[C@H]1Sc1cccnc1-c1nn[n-]n1 ZINC001591363428 1173631885 /nfs/dbraw/zinc/63/18/85/1173631885.db2.gz WQKMWZNPNQIIAU-DTWKUNHWSA-N -1 1 277.353 1.921 20 0 CDADMM COCC[C@H](C)NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591398733 1173643839 /nfs/dbraw/zinc/64/38/39/1173643839.db2.gz HRWAVOYFVPLISB-QMMMGPOBSA-N -1 1 293.302 1.161 20 0 CDADMM COCC[C@H](C)NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591398733 1173643842 /nfs/dbraw/zinc/64/38/42/1173643842.db2.gz HRWAVOYFVPLISB-QMMMGPOBSA-N -1 1 293.302 1.161 20 0 CDADMM COc1cc(C)ccc1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001591521238 1173664511 /nfs/dbraw/zinc/66/45/11/1173664511.db2.gz ONPWFEQMCYDPKZ-UHFFFAOYSA-N -1 1 297.322 1.008 20 0 CDADMM COc1cc(Nc2cc(-c3nnn[n-]3)ncn2)cc(OC)c1 ZINC001591547913 1173669709 /nfs/dbraw/zinc/66/97/09/1173669709.db2.gz UHGJYBJFNLCLTN-UHFFFAOYSA-N -1 1 299.294 1.418 20 0 CDADMM COc1cc(Nc2cc(-c3nn[n-]n3)ncn2)cc(OC)c1 ZINC001591547913 1173669714 /nfs/dbraw/zinc/66/97/14/1173669714.db2.gz UHGJYBJFNLCLTN-UHFFFAOYSA-N -1 1 299.294 1.418 20 0 CDADMM COc1ccc([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001591575816 1173671308 /nfs/dbraw/zinc/67/13/08/1173671308.db2.gz DGTBZKKXHKXKAX-VIFPVBQESA-N -1 1 297.322 1.260 20 0 CDADMM COc1ccccc1OC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591652037 1173677187 /nfs/dbraw/zinc/67/71/87/1173677187.db2.gz ZWGACDNRWJPXIV-UHFFFAOYSA-N -1 1 297.274 1.490 20 0 CDADMM COc1ccccc1OC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591652037 1173677191 /nfs/dbraw/zinc/67/71/91/1173677191.db2.gz ZWGACDNRWJPXIV-UHFFFAOYSA-N -1 1 297.274 1.490 20 0 CDADMM C[C@@H]1COCCN1Cc1csc(-c2nn[n-]n2)c1 ZINC001591752469 1173694189 /nfs/dbraw/zinc/69/41/89/1173694189.db2.gz LASGXYPEHMQOMY-MRVPVSSYSA-N -1 1 265.342 1.149 20 0 CDADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)c1cccc(O)c1 ZINC001591770341 1173697534 /nfs/dbraw/zinc/69/75/34/1173697534.db2.gz UAUSIXQJDJLLJT-QMMMGPOBSA-N -1 1 283.295 1.535 20 0 CDADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)c1cccc(O)c1 ZINC001591770341 1173697539 /nfs/dbraw/zinc/69/75/39/1173697539.db2.gz UAUSIXQJDJLLJT-QMMMGPOBSA-N -1 1 283.295 1.535 20 0 CDADMM C[C@H](Nc1cc(-c2nnn[n-]2)ncn1)c1cccc(O)c1 ZINC001591771071 1173699059 /nfs/dbraw/zinc/69/90/59/1173699059.db2.gz UJXMVGVJRONJPW-QMMMGPOBSA-N -1 1 283.295 1.535 20 0 CDADMM C[C@H](Nc1cc(-c2nn[n-]n2)ncn1)c1cccc(O)c1 ZINC001591771071 1173699063 /nfs/dbraw/zinc/69/90/63/1173699063.db2.gz UJXMVGVJRONJPW-QMMMGPOBSA-N -1 1 283.295 1.535 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@H](C)[C@@H]2C)c1 ZINC001591889069 1173739643 /nfs/dbraw/zinc/73/96/43/1173739643.db2.gz XGKYREUUEGNPBC-VHSXEESVSA-N -1 1 274.328 1.184 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@H](C)[C@@H]2C)c1 ZINC001591889069 1173739647 /nfs/dbraw/zinc/73/96/47/1173739647.db2.gz XGKYREUUEGNPBC-VHSXEESVSA-N -1 1 274.328 1.184 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCC[C@@H]2C)n1 ZINC001591892524 1173740866 /nfs/dbraw/zinc/74/08/66/1173740866.db2.gz CTPNHRRILZJFFU-CBAPKCEASA-N -1 1 259.317 1.566 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCC[C@@H]2C)n1 ZINC001591892524 1173740869 /nfs/dbraw/zinc/74/08/69/1173740869.db2.gz CTPNHRRILZJFFU-CBAPKCEASA-N -1 1 259.317 1.566 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCS[C@H](C)C2)n1 ZINC001591893671 1173742445 /nfs/dbraw/zinc/74/24/45/1173742445.db2.gz OCGBFARNLYSDML-RKDXNWHRSA-N -1 1 291.384 1.661 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCS[C@H](C)C2)n1 ZINC001591893671 1173742441 /nfs/dbraw/zinc/74/24/41/1173742441.db2.gz OCGBFARNLYSDML-RKDXNWHRSA-N -1 1 291.384 1.661 20 0 CDADMM Cc1n[nH]cc1CCCNc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001592048510 1173786482 /nfs/dbraw/zinc/78/64/82/1173786482.db2.gz FHJWLYFWCAZGJG-UHFFFAOYSA-N -1 1 298.354 1.646 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCCOC1CCCC1 ZINC001592113053 1173805830 /nfs/dbraw/zinc/80/58/30/1173805830.db2.gz SUSVYEYQFICFJU-UHFFFAOYSA-N -1 1 288.355 1.941 20 0 CDADMM Cc1c([C@H](C)Nc2ccc(C)nc2-c2nnn[n-]2)cnn1C ZINC001592183195 1173829527 /nfs/dbraw/zinc/82/95/27/1173829527.db2.gz ALJYERNNCUQBHV-VIFPVBQESA-N -1 1 298.354 1.785 20 0 CDADMM Cc1c([C@H](C)Nc2ccc(C)nc2-c2nn[n-]n2)cnn1C ZINC001592183195 1173829531 /nfs/dbraw/zinc/82/95/31/1173829531.db2.gz ALJYERNNCUQBHV-VIFPVBQESA-N -1 1 298.354 1.785 20 0 CDADMM Cc1cccc(Cl)c1Cn1cc(-c2nn[n-]n2)nn1 ZINC001592232523 1173835608 /nfs/dbraw/zinc/83/56/08/1173835608.db2.gz SNODNYGFEXSGGL-UHFFFAOYSA-N -1 1 275.703 1.468 20 0 CDADMM Cc1ccn(Cc2ccc(CF)cc2)c(=O)c1-c1nn[n-]n1 ZINC001592265744 1173837832 /nfs/dbraw/zinc/83/78/32/1173837832.db2.gz LCGKWUQFFQFDGT-UHFFFAOYSA-N -1 1 299.309 1.855 20 0 CDADMM Cc1ccncc1CN(C)c1nc(-c2nn[n-]n2)ccc1C ZINC001592277303 1173844100 /nfs/dbraw/zinc/84/41/00/1173844100.db2.gz YPPKAHUISFSBOG-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccoc1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001592283958 1173846870 /nfs/dbraw/zinc/84/68/70/1173846870.db2.gz PWZGMKCCAIUKBB-UHFFFAOYSA-N -1 1 257.257 1.170 20 0 CDADMM Cc1ccoc1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001592283958 1173846875 /nfs/dbraw/zinc/84/68/75/1173846875.db2.gz PWZGMKCCAIUKBB-UHFFFAOYSA-N -1 1 257.257 1.170 20 0 CDADMM Cc1[nH]nc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1C ZINC001592332361 1173855931 /nfs/dbraw/zinc/85/59/31/1173855931.db2.gz FYTJUUOSILCDDH-UHFFFAOYSA-N -1 1 273.256 1.052 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@H](C)C2CCCC2)c1-c1nn[n-]n1 ZINC001592328793 1173857563 /nfs/dbraw/zinc/85/75/63/1173857563.db2.gz ZYELDWWOBRNTFX-SSDOTTSWSA-N -1 1 289.343 1.663 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@H](C)C1 ZINC001592497069 1173905803 /nfs/dbraw/zinc/90/58/03/1173905803.db2.gz UDYBJVQWPLZPFD-ZETCQYMHSA-N -1 1 261.285 1.250 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@H](C)C1 ZINC001592497069 1173905807 /nfs/dbraw/zinc/90/58/07/1173905807.db2.gz UDYBJVQWPLZPFD-ZETCQYMHSA-N -1 1 261.285 1.250 20 0 CDADMM FC1(F)[C@@H]2CCN(c3cccc(-c4nnn[n-]4)n3)C[C@@H]21 ZINC001592628271 1173935060 /nfs/dbraw/zinc/93/50/60/1173935060.db2.gz SZCNTJBXUPKWDO-SFYZADRCSA-N -1 1 278.266 1.353 20 0 CDADMM FC1(F)[C@@H]2CCN(c3cccc(-c4nn[n-]n4)n3)C[C@@H]21 ZINC001592628271 1173935070 /nfs/dbraw/zinc/93/50/70/1173935070.db2.gz SZCNTJBXUPKWDO-SFYZADRCSA-N -1 1 278.266 1.353 20 0 CDADMM FC1(F)CC(CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001592627858 1173935461 /nfs/dbraw/zinc/93/54/61/1173935461.db2.gz NROBLKRWWIZWIM-UHFFFAOYSA-N -1 1 281.270 1.504 20 0 CDADMM FC1(F)CC(CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001592627858 1173935470 /nfs/dbraw/zinc/93/54/70/1173935470.db2.gz NROBLKRWWIZWIM-UHFFFAOYSA-N -1 1 281.270 1.504 20 0 CDADMM Fc1ccc(OCC2CCOCC2)c(-c2nnn[n-]2)n1 ZINC001592651882 1173952584 /nfs/dbraw/zinc/95/25/84/1173952584.db2.gz DBTHCQIECVOQTE-UHFFFAOYSA-N -1 1 279.275 1.206 20 0 CDADMM Fc1ccc(OCC2CCOCC2)c(-c2nn[n-]n2)n1 ZINC001592651882 1173952588 /nfs/dbraw/zinc/95/25/88/1173952588.db2.gz DBTHCQIECVOQTE-UHFFFAOYSA-N -1 1 279.275 1.206 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1CC2CCC1CC2 ZINC001592753572 1173984987 /nfs/dbraw/zinc/98/49/87/1173984987.db2.gz CFAREFJTDYEDEW-HACHORDNSA-N -1 1 287.327 1.112 20 0 CDADMM O=C(CCCF)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001592836518 1173998201 /nfs/dbraw/zinc/99/82/01/1173998201.db2.gz OGOVXOKOJKYKRP-UHFFFAOYSA-N -1 1 265.248 1.055 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CC2CCC1CC2 ZINC001592914045 1174004796 /nfs/dbraw/zinc/00/47/96/1174004796.db2.gz ULVBILYXRCXJBZ-UHFFFAOYSA-N -1 1 298.350 1.205 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CC2CCC1CC2 ZINC001592914045 1174004803 /nfs/dbraw/zinc/00/48/03/1174004803.db2.gz ULVBILYXRCXJBZ-UHFFFAOYSA-N -1 1 298.350 1.205 20 0 CDADMM O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1ccnc(-c2nnn[n-]2)c1 ZINC001593032074 1174014649 /nfs/dbraw/zinc/01/46/49/1174014649.db2.gz MGXNNOFLWBCOKK-ZMLRMANQSA-N -1 1 298.350 1.428 20 0 CDADMM O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1ccnc(-c2nn[n-]n2)c1 ZINC001593032074 1174014658 /nfs/dbraw/zinc/01/46/58/1174014658.db2.gz MGXNNOFLWBCOKK-ZMLRMANQSA-N -1 1 298.350 1.428 20 0 CDADMM O=C(NC[C@H]1CCCCS1)c1ccc(-c2nnn[n-]2)o1 ZINC001593033168 1174016257 /nfs/dbraw/zinc/01/62/57/1174016257.db2.gz IGDWIXMNLOGKJR-MRVPVSSYSA-N -1 1 293.352 1.475 20 0 CDADMM O=C(NC[C@H]1CCCCS1)c1ccc(-c2nn[n-]n2)o1 ZINC001593033168 1174016261 /nfs/dbraw/zinc/01/62/61/1174016261.db2.gz IGDWIXMNLOGKJR-MRVPVSSYSA-N -1 1 293.352 1.475 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@@H]1C=CCC1 ZINC001593137856 1174024562 /nfs/dbraw/zinc/02/45/62/1174024562.db2.gz XPYUWYHBATUDOF-MRVPVSSYSA-N -1 1 290.352 1.446 20 0 CDADMM O=C(N[C@@H]1C[C@H]1c1ccco1)c1cccc(-c2nnn[n-]2)n1 ZINC001593180486 1174030572 /nfs/dbraw/zinc/03/05/72/1174030572.db2.gz DKJJELRALDOHNP-LDYMZIIASA-N -1 1 296.290 1.141 20 0 CDADMM O=C(N[C@@H]1C[C@H]1c1ccco1)c1cccc(-c2nn[n-]n2)n1 ZINC001593180486 1174030578 /nfs/dbraw/zinc/03/05/78/1174030578.db2.gz DKJJELRALDOHNP-LDYMZIIASA-N -1 1 296.290 1.141 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)C1CC2(CC2)C1 ZINC001593267757 1174045633 /nfs/dbraw/zinc/04/56/33/1174045633.db2.gz JFITZOLFAANBFD-UHFFFAOYSA-N -1 1 276.325 1.452 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)C1CC2(CC2)C1 ZINC001593267757 1174045641 /nfs/dbraw/zinc/04/56/41/1174045641.db2.gz JFITZOLFAANBFD-UHFFFAOYSA-N -1 1 276.325 1.452 20 0 CDADMM O=C(OCCCCCO)c1ccsc1-c1nnn[n-]1 ZINC001593288079 1174053575 /nfs/dbraw/zinc/05/35/75/1174053575.db2.gz SWHDJXUGXLDCQS-UHFFFAOYSA-N -1 1 282.325 1.248 20 0 CDADMM O=C(OCCCCCO)c1ccsc1-c1nn[n-]n1 ZINC001593288079 1174053582 /nfs/dbraw/zinc/05/35/82/1174053582.db2.gz SWHDJXUGXLDCQS-UHFFFAOYSA-N -1 1 282.325 1.248 20 0 CDADMM O=C(OCc1cnsc1)c1coc(-c2nnn[n-]2)c1 ZINC001593305536 1174061410 /nfs/dbraw/zinc/06/14/10/1174061410.db2.gz SYXQYSFEOMGGEL-UHFFFAOYSA-N -1 1 277.265 1.273 20 0 CDADMM O=C(OCc1cnsc1)c1coc(-c2nn[n-]n2)c1 ZINC001593305536 1174061415 /nfs/dbraw/zinc/06/14/15/1174061415.db2.gz SYXQYSFEOMGGEL-UHFFFAOYSA-N -1 1 277.265 1.273 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1ccccc1C1CC1 ZINC001593493967 1174086791 /nfs/dbraw/zinc/08/67/91/1174086791.db2.gz MRIWHVDSHRLYAW-UHFFFAOYSA-N -1 1 293.330 1.954 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC001593550848 1174124308 /nfs/dbraw/zinc/12/43/08/1174124308.db2.gz CNTOOMDBJNEEPX-MWLCHTKSSA-N -1 1 287.327 1.026 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC001593550848 1174124309 /nfs/dbraw/zinc/12/43/09/1174124309.db2.gz CNTOOMDBJNEEPX-MWLCHTKSSA-N -1 1 287.327 1.026 20 0 CDADMM c1c[nH]c([C@@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)n1 ZINC001593558851 1174134167 /nfs/dbraw/zinc/13/41/67/1174134167.db2.gz MYZUNCQHCXXDNQ-VIFPVBQESA-N -1 1 297.326 1.111 20 0 CDADMM c1cc(NCc2ccc3c(c2)CCC3)cc(-c2nnn[n-]2)n1 ZINC001593560506 1174136032 /nfs/dbraw/zinc/13/60/32/1174136032.db2.gz CYVJDIRGADKYAK-UHFFFAOYSA-N -1 1 292.346 1.784 20 0 CDADMM c1cc(NCc2ccc3c(c2)CCC3)cc(-c2nn[n-]n2)n1 ZINC001593560506 1174136033 /nfs/dbraw/zinc/13/60/33/1174136033.db2.gz CYVJDIRGADKYAK-UHFFFAOYSA-N -1 1 292.346 1.784 20 0 CDADMM c1csc(CCCNc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001593560379 1174136449 /nfs/dbraw/zinc/13/64/49/1174136449.db2.gz CXJCABWIRIYZPD-UHFFFAOYSA-N -1 1 287.352 1.763 20 0 CDADMM c1csc(CCCNc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001593560379 1174136453 /nfs/dbraw/zinc/13/64/53/1174136453.db2.gz CXJCABWIRIYZPD-UHFFFAOYSA-N -1 1 287.352 1.763 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(SC[C@@H]2CCOC2)c1 ZINC001593584882 1174152162 /nfs/dbraw/zinc/15/21/62/1174152162.db2.gz QCDIHJGCLPZEES-MRVPVSSYSA-N -1 1 263.326 1.390 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(SC[C@@H]2CCOC2)c1 ZINC001593584882 1174152167 /nfs/dbraw/zinc/15/21/67/1174152167.db2.gz QCDIHJGCLPZEES-MRVPVSSYSA-N -1 1 263.326 1.390 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NCCCC1CCC1 ZINC001593590255 1174158511 /nfs/dbraw/zinc/15/85/11/1174158511.db2.gz MDULMONTJUFMPX-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NCCCC1CCC1 ZINC001593590255 1174158514 /nfs/dbraw/zinc/15/85/14/1174158514.db2.gz MDULMONTJUFMPX-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM c1ncc(N2CC3(C2)CCCC3)nc1-c1nnn[n-]1 ZINC001593594072 1174161751 /nfs/dbraw/zinc/16/17/51/1174161751.db2.gz ZYNUASHUEIREJA-UHFFFAOYSA-N -1 1 257.301 1.037 20 0 CDADMM c1ncc(N2CC3(C2)CCCC3)nc1-c1nn[n-]n1 ZINC001593594072 1174161755 /nfs/dbraw/zinc/16/17/55/1174161755.db2.gz ZYNUASHUEIREJA-UHFFFAOYSA-N -1 1 257.301 1.037 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC001593594662 1174162716 /nfs/dbraw/zinc/16/27/16/1174162716.db2.gz FKDDUTMHEYUHST-GGZOMVNGSA-N -1 1 299.338 1.026 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC001593594662 1174162722 /nfs/dbraw/zinc/16/27/22/1174162722.db2.gz FKDDUTMHEYUHST-GGZOMVNGSA-N -1 1 299.338 1.026 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NCCCCC1CC1 ZINC001593594690 1174162832 /nfs/dbraw/zinc/16/28/32/1174162832.db2.gz GEXNSEMUNWQQFW-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NCCCCC1CC1 ZINC001593594690 1174162837 /nfs/dbraw/zinc/16/28/37/1174162837.db2.gz GEXNSEMUNWQQFW-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NC[C@@H]2C[C@@H]2C2CCCC2)n1 ZINC001593595149 1174163923 /nfs/dbraw/zinc/16/39/23/1174163923.db2.gz OGXPSSBJBDMCHY-WDEREUQCSA-N -1 1 285.355 1.895 20 0 CDADMM Cc1cc(CN[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)n[nH]1 ZINC001600204073 1174405677 /nfs/dbraw/zinc/40/56/77/1174405677.db2.gz BNRIBWXOVVZKJR-AWEZNQCLSA-N -1 1 287.319 1.569 20 0 CDADMM Cc1cc(CNCc2cnc3n2CCOC3)[nH]c1C(=O)[O-] ZINC001600209916 1174411798 /nfs/dbraw/zinc/41/17/98/1174411798.db2.gz YKBPVCHVLHKVPZ-UHFFFAOYSA-N -1 1 290.323 1.038 20 0 CDADMM Cc1ccc(CN2CC[C@H](n3cc(C(=O)[O-])nn3)C2)nc1 ZINC001600413511 1174468126 /nfs/dbraw/zinc/46/81/26/1174468126.db2.gz YZBPBCURGVYYBL-LBPRGKRZSA-N -1 1 287.323 1.127 20 0 CDADMM Cc1ccc(CNCc2ccc(C(=O)[O-])n2C)c(=O)n1C ZINC001600418994 1174470947 /nfs/dbraw/zinc/47/09/47/1174470947.db2.gz CTNTUZKUHAIOHM-UHFFFAOYSA-N -1 1 289.335 1.020 20 0 CDADMM Cc1cccnc1NC(=O)CN1CC[C@H](C(=O)[O-])[C@H]1C ZINC001600593660 1174518342 /nfs/dbraw/zinc/51/83/42/1174518342.db2.gz XOLPCJJKLQEKFY-MNOVXSKESA-N -1 1 277.324 1.124 20 0 CDADMM Cc1noc([C@H]2OCC[C@H]2NCc2occc2C(=O)[O-])n1 ZINC001600817208 1174627090 /nfs/dbraw/zinc/62/70/90/1174627090.db2.gz NQTXVYQPOZRGCV-KOLCDFICSA-N -1 1 293.279 1.289 20 0 CDADMM Cc1cccc(CNc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000103646618 1174684698 /nfs/dbraw/zinc/68/46/98/1174684698.db2.gz NMTRFFFBJAJBJM-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1cccc(CNc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000103646618 1174684703 /nfs/dbraw/zinc/68/47/03/1174684703.db2.gz NMTRFFFBJAJBJM-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cn1ccnc1CN1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC001600985680 1174692229 /nfs/dbraw/zinc/69/22/29/1174692229.db2.gz XXHDMBRDUMBQKZ-SDDRHHMPSA-N -1 1 263.341 1.495 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)C[C@H]3CCCO3)[nH]c21 ZINC001601253534 1174813122 /nfs/dbraw/zinc/81/31/22/1174813122.db2.gz BUKDMHWIESZLSQ-MRVPVSSYSA-N -1 1 289.291 1.769 20 0 CDADMM O=C([O-])[C@@H]1CC[C@H](N[C@H](CO)c2c(F)cccc2F)C1 ZINC001601791381 1175006508 /nfs/dbraw/zinc/00/65/08/1175006508.db2.gz HXNONSSSZDAJOM-VDDIYKPWSA-N -1 1 285.290 1.841 20 0 CDADMM O=C([O-])C[C@H](CNS(=O)(=O)c1ccccc1O)C1CC1 ZINC001601896149 1175056338 /nfs/dbraw/zinc/05/63/38/1175056338.db2.gz BVSRAZLDLHWLJI-SNVBAGLBSA-N -1 1 299.348 1.171 20 0 CDADMM O=C([O-])CCc1ccc(NC(=O)Cc2cnc[nH]2)cc1 ZINC001602040465 1175115662 /nfs/dbraw/zinc/11/56/62/1175115662.db2.gz YJBVOMDYHZWETJ-UHFFFAOYSA-N -1 1 273.292 1.608 20 0 CDADMM O=C([O-])[C@@H](F)CNc1ccncc1C(F)(F)F ZINC001602170569 1175150236 /nfs/dbraw/zinc/15/02/36/1175150236.db2.gz FLHUDRWYOLZOKF-LURJTMIESA-N -1 1 252.167 1.357 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3c(Cl)[nH]nc3C3CC3)C[C@@H]21 ZINC001602204958 1175163874 /nfs/dbraw/zinc/16/38/74/1175163874.db2.gz WVTSJODFGBNWMH-JIGDXULJSA-N -1 1 295.726 1.343 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(Cc3cc(F)ccc3F)C[C@@H]21 ZINC001602205098 1175164171 /nfs/dbraw/zinc/16/41/71/1175164171.db2.gz UPQXLGMIBWOMDE-IAZYJMLFSA-N -1 1 253.248 1.727 20 0 CDADMM O=C([O-])c1cc(CN2CC3(CCOCC3)[C@@H]2C2CC2)on1 ZINC001602256280 1175183326 /nfs/dbraw/zinc/18/33/26/1175183326.db2.gz IFWHQNDLMDVANP-ZDUSSCGKSA-N -1 1 292.335 1.764 20 0 CDADMM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCCN2C2CC2)nc1 ZINC001602342195 1175215700 /nfs/dbraw/zinc/21/57/00/1175215700.db2.gz NRNSPXGCUSVREC-ZDUSSCGKSA-N -1 1 289.335 1.023 20 0 CDADMM O=C([O-])c1ccc(N2CCN(C[C@@H]3CCCO3)CC2)s1 ZINC001602372163 1175226562 /nfs/dbraw/zinc/22/65/62/1175226562.db2.gz XXGLVCWKVIDGKX-NSHDSACASA-N -1 1 296.392 1.747 20 0 CDADMM O=C([O-])c1ccc2c(c1)CC[N@H+](CC[C@@H]1CCNC1=O)C2 ZINC001602416401 1175233427 /nfs/dbraw/zinc/23/34/27/1175233427.db2.gz RLSBGEAYXLJRSP-NSHDSACASA-N -1 1 288.347 1.269 20 0 CDADMM O=C([O-])c1cccc(CN2CC[C@@H](Oc3ccncc3)C2)n1 ZINC001602436379 1175240193 /nfs/dbraw/zinc/24/01/93/1175240193.db2.gz AQGZFOAHFPFEOK-CQSZACIVSA-N -1 1 299.330 1.828 20 0 CDADMM O=C([O-])c1cnc(CN2CCC(n3ccnc3)CC2)cn1 ZINC001602518156 1175265462 /nfs/dbraw/zinc/26/54/62/1175265462.db2.gz BWHLONUZGZWMLF-UHFFFAOYSA-N -1 1 287.323 1.208 20 0 CDADMM O=C([O-])c1cncc(N[C@@H](c2nnc[nH]2)c2ccccc2)n1 ZINC001602542114 1175282691 /nfs/dbraw/zinc/28/26/91/1175282691.db2.gz XULMSWONHXTJMA-GFCCVEGCSA-N -1 1 296.290 1.494 20 0 CDADMM CC(C)(C)ONC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603104300 1175491693 /nfs/dbraw/zinc/49/16/93/1175491693.db2.gz DLVZUSZEBYSKJK-UHFFFAOYSA-N -1 1 277.288 1.113 20 0 CDADMM C[C@@H](C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)C1CCCC1 ZINC001603145084 1175501099 /nfs/dbraw/zinc/50/10/99/1175501099.db2.gz BASZXMUGNJOYAV-QWHCGFSZSA-N -1 1 296.411 1.820 20 0 CDADMM CC(C)C(C)(C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603206110 1175515344 /nfs/dbraw/zinc/51/53/44/1175515344.db2.gz IYRDWMYVUMLZMU-UHFFFAOYSA-N -1 1 263.301 1.624 20 0 CDADMM CC(C)C(C)(C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603206110 1175515350 /nfs/dbraw/zinc/51/53/50/1175515350.db2.gz IYRDWMYVUMLZMU-UHFFFAOYSA-N -1 1 263.301 1.624 20 0 CDADMM CC(C)[C@H](O)CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001603231567 1175521166 /nfs/dbraw/zinc/52/11/66/1175521166.db2.gz XYUSUDWGETXCJE-CQSZACIVSA-N -1 1 298.350 1.844 20 0 CDADMM CC(C)[C@H](O)CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001603231567 1175521171 /nfs/dbraw/zinc/52/11/71/1175521171.db2.gz XYUSUDWGETXCJE-CQSZACIVSA-N -1 1 298.350 1.844 20 0 CDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001603238705 1175521184 /nfs/dbraw/zinc/52/11/84/1175521184.db2.gz SYUZHZZNUNOFKQ-NOZJJQNGSA-N -1 1 289.343 1.221 20 0 CDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001603238705 1175521190 /nfs/dbraw/zinc/52/11/90/1175521190.db2.gz SYUZHZZNUNOFKQ-NOZJJQNGSA-N -1 1 289.343 1.221 20 0 CDADMM CC(C)[C@H]1CCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001603245699 1175525643 /nfs/dbraw/zinc/52/56/43/1175525643.db2.gz LALCCUQYJSVYNS-VIFPVBQESA-N -1 1 259.317 1.139 20 0 CDADMM CC(C)[C@H]1CCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001603245699 1175525648 /nfs/dbraw/zinc/52/56/48/1175525648.db2.gz LALCCUQYJSVYNS-VIFPVBQESA-N -1 1 259.317 1.139 20 0 CDADMM CC(C)C[C@H](C)OC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001603263541 1175528270 /nfs/dbraw/zinc/52/82/70/1175528270.db2.gz PPZASINJZVBORW-JTQLQIEISA-N -1 1 289.339 1.782 20 0 CDADMM CC(C)C[C@H](C)OC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001603263541 1175528276 /nfs/dbraw/zinc/52/82/76/1175528276.db2.gz PPZASINJZVBORW-JTQLQIEISA-N -1 1 289.339 1.782 20 0 CDADMM CC(C)C[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001603269930 1175530548 /nfs/dbraw/zinc/53/05/48/1175530548.db2.gz GRQGYMGHLWPXNT-SNVBAGLBSA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)C[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001603269930 1175530552 /nfs/dbraw/zinc/53/05/52/1175530552.db2.gz GRQGYMGHLWPXNT-SNVBAGLBSA-N -1 1 273.344 1.529 20 0 CDADMM Cn1nnc(NC(=O)c2ccc3ccccc3c2[O-])n1 ZINC000127379962 1175543912 /nfs/dbraw/zinc/54/39/12/1175543912.db2.gz BQDAUVXFTWTGHY-UHFFFAOYSA-N -1 1 269.264 1.321 20 0 CDADMM CC1(C(=O)OCc2cccnc2-c2nnn[n-]2)CCC1 ZINC001603755086 1175618555 /nfs/dbraw/zinc/61/85/55/1175618555.db2.gz JGNLTPHAYFCPLE-UHFFFAOYSA-N -1 1 273.296 1.495 20 0 CDADMM CC1(C(=O)OCc2cccnc2-c2nn[n-]n2)CCC1 ZINC001603755086 1175618556 /nfs/dbraw/zinc/61/85/56/1175618556.db2.gz JGNLTPHAYFCPLE-UHFFFAOYSA-N -1 1 273.296 1.495 20 0 CDADMM CC1(C)C[C@]1(C)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001603764264 1175621482 /nfs/dbraw/zinc/62/14/82/1175621482.db2.gz DIEKEVJOSPRNCH-ZDUSSCGKSA-N -1 1 272.312 1.180 20 0 CDADMM CC1(C)C[C@]1(C)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001603764264 1175621486 /nfs/dbraw/zinc/62/14/86/1175621486.db2.gz DIEKEVJOSPRNCH-ZDUSSCGKSA-N -1 1 272.312 1.180 20 0 CDADMM CC1(C)CC(NC(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001603765504 1175622484 /nfs/dbraw/zinc/62/24/84/1175622484.db2.gz YOERWRPETIFTJK-UHFFFAOYSA-N -1 1 287.327 1.572 20 0 CDADMM CC1(C)CC(NC(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001603765504 1175622488 /nfs/dbraw/zinc/62/24/88/1175622488.db2.gz YOERWRPETIFTJK-UHFFFAOYSA-N -1 1 287.327 1.572 20 0 CDADMM CC(C)C[C@H](C)C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001603767854 1175623183 /nfs/dbraw/zinc/62/31/83/1175623183.db2.gz HTLHMPMTNUVENA-STQMWFEESA-N -1 1 284.400 1.676 20 0 CDADMM CC1CC(Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001603863069 1175657468 /nfs/dbraw/zinc/65/74/68/1175657468.db2.gz WJFWGDPPMFYGSW-UHFFFAOYSA-N -1 1 271.328 1.745 20 0 CDADMM CC1CC(Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001603863069 1175657460 /nfs/dbraw/zinc/65/74/60/1175657460.db2.gz WJFWGDPPMFYGSW-UHFFFAOYSA-N -1 1 271.328 1.745 20 0 CDADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001603864963 1175659957 /nfs/dbraw/zinc/65/99/57/1175659957.db2.gz MWAUGGLUYGNDHK-KVPKETBZSA-N -1 1 290.352 1.554 20 0 CDADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001603864963 1175659961 /nfs/dbraw/zinc/65/99/61/1175659961.db2.gz MWAUGGLUYGNDHK-KVPKETBZSA-N -1 1 290.352 1.554 20 0 CDADMM C[C@H]1C[C@H]1C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001603865266 1175660705 /nfs/dbraw/zinc/66/07/05/1175660705.db2.gz QEBMMPHQSSXWNI-NTSWFWBYSA-N -1 1 265.298 1.022 20 0 CDADMM C[C@H]1C[C@H]1C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001603865266 1175660717 /nfs/dbraw/zinc/66/07/17/1175660717.db2.gz QEBMMPHQSSXWNI-NTSWFWBYSA-N -1 1 265.298 1.022 20 0 CDADMM CC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001603871523 1175661262 /nfs/dbraw/zinc/66/12/62/1175661262.db2.gz MLMWCDHSNLWVDJ-PBINXNQUSA-N -1 1 271.328 1.424 20 0 CDADMM C[C@H]1CCC(=O)CN1Cc1ccc(-c2nnn[n-]2)o1 ZINC001603874699 1175664982 /nfs/dbraw/zinc/66/49/82/1175664982.db2.gz YXXXOUAPKHQVMU-QMMMGPOBSA-N -1 1 261.285 1.013 20 0 CDADMM C[C@H]1CCC(=O)CN1Cc1ccc(-c2nn[n-]n2)o1 ZINC001603874699 1175664985 /nfs/dbraw/zinc/66/49/85/1175664985.db2.gz YXXXOUAPKHQVMU-QMMMGPOBSA-N -1 1 261.285 1.013 20 0 CDADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001603903904 1175679581 /nfs/dbraw/zinc/67/95/81/1175679581.db2.gz UMJPDEJOROPWHI-ZJUUUORDSA-N -1 1 286.339 1.380 20 0 CDADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001603903904 1175679584 /nfs/dbraw/zinc/67/95/84/1175679584.db2.gz UMJPDEJOROPWHI-ZJUUUORDSA-N -1 1 286.339 1.380 20 0 CDADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@H](C2CC2)O1 ZINC001603941197 1175691954 /nfs/dbraw/zinc/69/19/54/1175691954.db2.gz ZJAKEEMKLGQMKT-BXKDBHETSA-N -1 1 286.339 1.265 20 0 CDADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@H](C2CC2)O1 ZINC001603941197 1175691956 /nfs/dbraw/zinc/69/19/56/1175691956.db2.gz ZJAKEEMKLGQMKT-BXKDBHETSA-N -1 1 286.339 1.265 20 0 CDADMM CC[C@@H](C)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603993433 1175710824 /nfs/dbraw/zinc/71/08/24/1175710824.db2.gz YQBBTVJQSDVFAL-SSDOTTSWSA-N -1 1 278.268 1.232 20 0 CDADMM CC[C@H](C)[C@H](CNC(=O)c1coc(-c2nnn[n-]2)c1)OC ZINC001603998475 1175714812 /nfs/dbraw/zinc/71/48/12/1175714812.db2.gz CYDIQPKJYIGRBO-KWQFWETISA-N -1 1 293.327 1.251 20 0 CDADMM CC[C@H](C)[C@H](CNC(=O)c1coc(-c2nn[n-]n2)c1)OC ZINC001603998475 1175714818 /nfs/dbraw/zinc/71/48/18/1175714818.db2.gz CYDIQPKJYIGRBO-KWQFWETISA-N -1 1 293.327 1.251 20 0 CDADMM CC(C)c1nnc(CNC2(CC(=O)[O-])CCOCC2)s1 ZINC001604021270 1175724071 /nfs/dbraw/zinc/72/40/71/1175724071.db2.gz 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KQZZKIFXHKOVMS-QMMMGPOBSA-N -1 1 291.319 1.896 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(OCC2CC2)nc1 ZINC001771796555 1186875883 /nfs/dbraw/zinc/87/58/83/1186875883.db2.gz AMBREXZIXSISMH-UHFFFAOYSA-N -1 1 288.307 1.860 20 0 CDADMM N[C@@H](C(=O)NCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001771829492 1186893235 /nfs/dbraw/zinc/89/32/35/1186893235.db2.gz JHRRFEXETWCXBT-SNVBAGLBSA-N -1 1 290.241 1.296 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC/C=C\Cl ZINC001606171141 1163796771 /nfs/dbraw/zinc/79/67/71/1163796771.db2.gz UPYAONDGESPDES-IHWYPQMZSA-N -1 1 268.660 1.677 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC/C=C\Cl ZINC001606171141 1163796775 /nfs/dbraw/zinc/79/67/75/1163796775.db2.gz UPYAONDGESPDES-IHWYPQMZSA-N -1 1 268.660 1.677 20 0 CDADMM Clc1nc(N2CCC[C@@H]3C[C@@H]32)sc1-c1nnn[n-]1 ZINC001606198797 1163804720 /nfs/dbraw/zinc/80/47/20/1163804720.db2.gz RYPBSCWUKFEUDY-RITPCOANSA-N -1 1 282.760 1.965 20 0 CDADMM Clc1nc(N2CCC[C@@H]3C[C@@H]32)sc1-c1nn[n-]n1 ZINC001606198797 1163804722 /nfs/dbraw/zinc/80/47/22/1163804722.db2.gz RYPBSCWUKFEUDY-RITPCOANSA-N -1 1 282.760 1.965 20 0 CDADMM CN[C@H](C)c1cn(Cc2ccccc2C(=O)[O-])nn1 ZINC001606296065 1163842034 /nfs/dbraw/zinc/84/20/34/1163842034.db2.gz YDVUDGCQIYGOQR-SECBINFHSA-N -1 1 260.297 1.305 20 0 CDADMM Fc1ccc(OCCOC2CCC2)c(-c2nn[n-]n2)n1 ZINC001606322944 1163859160 /nfs/dbraw/zinc/85/91/60/1163859160.db2.gz LEAPQTOWLOFYDO-UHFFFAOYSA-N -1 1 279.275 1.349 20 0 CDADMM COC(=O)C[C@@H]1CN(C[C@H]2CCCC[C@H]2C(=O)[O-])CCO1 ZINC001606446954 1163903010 /nfs/dbraw/zinc/90/30/10/1163903010.db2.gz HMRUDTGVRADNEC-JHJVBQTASA-N -1 1 299.367 1.141 20 0 CDADMM O=C(N[C@H]1CCCSC1)c1ccsc1-c1nnn[n-]1 ZINC001606670451 1163956640 /nfs/dbraw/zinc/95/66/40/1163956640.db2.gz LSVLCXQSMQVOHY-ZETCQYMHSA-N -1 1 295.393 1.554 20 0 CDADMM O=C(N[C@H]1CCCSC1)c1ccsc1-c1nn[n-]n1 ZINC001606670451 1163956649 /nfs/dbraw/zinc/95/66/49/1163956649.db2.gz LSVLCXQSMQVOHY-ZETCQYMHSA-N -1 1 295.393 1.554 20 0 CDADMM COC[C@@H](NCC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)C1CC1 ZINC001606815365 1164001100 /nfs/dbraw/zinc/00/11/00/1164001100.db2.gz XPVAPMRFNRJHOW-LLVKDONJSA-N -1 1 294.351 1.527 20 0 CDADMM COCCN(C/C=C(\C)C(=O)[O-])Cc1scnc1C ZINC001606884971 1164024644 /nfs/dbraw/zinc/02/46/44/1164024644.db2.gz WFCVOJDGTCUMCW-ONNFQVAWSA-N -1 1 284.381 1.931 20 0 CDADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)C1=CCCC1 ZINC001606985585 1164050768 /nfs/dbraw/zinc/05/07/68/1164050768.db2.gz RYRBMQRHKFVPLI-UHFFFAOYSA-N -1 1 277.309 1.477 20 0 CDADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)C1=CCCC1 ZINC001606985585 1164050773 /nfs/dbraw/zinc/05/07/73/1164050773.db2.gz RYRBMQRHKFVPLI-UHFFFAOYSA-N -1 1 277.309 1.477 20 0 CDADMM c1coc(CCNc2cccnc2-c2nnn[n-]2)c1 ZINC001607135783 1164114873 /nfs/dbraw/zinc/11/48/73/1164114873.db2.gz RBKGITIGUHOFBC-UHFFFAOYSA-N -1 1 256.269 1.509 20 0 CDADMM c1coc(CCNc2cccnc2-c2nn[n-]n2)c1 ZINC001607135783 1164114875 /nfs/dbraw/zinc/11/48/75/1164114875.db2.gz RBKGITIGUHOFBC-UHFFFAOYSA-N -1 1 256.269 1.509 20 0 CDADMM C[C@@H]1CN(Cc2cnc(C(=O)[O-])cn2)[C@H](C)CCO1 ZINC001607438941 1164181358 /nfs/dbraw/zinc/18/13/58/1164181358.db2.gz KOKGNALJDDGIKV-NXEZZACHSA-N -1 1 265.313 1.174 20 0 CDADMM C[C@H]1CN(CC(=O)OCc2ccccc2)C[C@]1(C)C(=O)[O-] ZINC001607475611 1164195273 /nfs/dbraw/zinc/19/52/73/1164195273.db2.gz YBLXEUJOVWYVFA-LRDDRELGSA-N -1 1 291.347 1.772 20 0 CDADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN[C@H](CO)C(C)(C)C ZINC001607495177 1164206486 /nfs/dbraw/zinc/20/64/86/1164206486.db2.gz MXFRRIAMYIEIDX-GFCCVEGCSA-N -1 1 282.340 1.201 20 0 CDADMM Cc1n[nH]c(C(=O)NC(C)(C)c2nocc2C(=O)[O-])c1C ZINC001607500752 1164211423 /nfs/dbraw/zinc/21/14/23/1164211423.db2.gz XGPGSCBZERVAGL-UHFFFAOYSA-N -1 1 292.295 1.378 20 0 CDADMM Cc1cc(C[C@H](C)Nc2cc(CC(=O)[O-])ccn2)[nH]n1 ZINC001607638212 1164249554 /nfs/dbraw/zinc/24/95/54/1164249554.db2.gz OBISSINWLPOQMX-VIFPVBQESA-N -1 1 274.324 1.783 20 0 CDADMM Cc1cc(CN[C@H]2CC(=O)N(C(C)(C)C)C2)oc1C(=O)[O-] ZINC001607647783 1164257098 /nfs/dbraw/zinc/25/70/98/1164257098.db2.gz IEXLVASPTURNIV-JTQLQIEISA-N -1 1 294.351 1.775 20 0 CDADMM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)CCc1cnn[nH]1 ZINC001607734061 1164281235 /nfs/dbraw/zinc/28/12/35/1164281235.db2.gz CKIYHUZDQFRSMG-UHFFFAOYSA-N -1 1 290.279 1.088 20 0 CDADMM NCC(F)(F)Cc1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC001608253205 1164468059 /nfs/dbraw/zinc/46/80/59/1164468059.db2.gz UQVXSVFILWPZPV-UHFFFAOYSA-N -1 1 283.234 1.571 20 0 CDADMM O=C(CCc1nn[n-]n1)N1CCC2(CCCC2)CC1 ZINC000866001222 1164719984 /nfs/dbraw/zinc/71/99/84/1164719984.db2.gz ZBKGVCUHAGXWJT-UHFFFAOYSA-N -1 1 263.345 1.315 20 0 CDADMM C[C@@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001609161855 1164809434 /nfs/dbraw/zinc/80/94/34/1164809434.db2.gz WAHDXPRXLMUIDA-UTLUCORTSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001609161855 1164809441 /nfs/dbraw/zinc/80/94/41/1164809441.db2.gz WAHDXPRXLMUIDA-UTLUCORTSA-N -1 1 273.344 1.893 20 0 CDADMM CC[C@@H]1CCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609200933 1164841235 /nfs/dbraw/zinc/84/12/35/1164841235.db2.gz 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AIRNOITYGJYGMR-NSHDSACASA-N -1 1 252.339 1.474 20 0 CDADMM c1cc(CSC[C@@H]2CCCO2)cc(-c2nnn[n-]2)n1 ZINC000826516704 607535444 /nfs/dbraw/zinc/53/54/44/607535444.db2.gz XCVFGCTXUYXCCK-JTQLQIEISA-N -1 1 277.353 1.674 20 0 CDADMM c1cc(CSC[C@@H]2CCCO2)cc(-c2nn[n-]n2)n1 ZINC000826516704 607535445 /nfs/dbraw/zinc/53/54/45/607535445.db2.gz XCVFGCTXUYXCCK-JTQLQIEISA-N -1 1 277.353 1.674 20 0 CDADMM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000827985880 602008447 /nfs/dbraw/zinc/00/84/47/602008447.db2.gz ONZTYJYULIQWFX-OTYXRUKQSA-N -1 1 277.324 1.153 20 0 CDADMM CCCCC[C@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)C(=O)[O-] ZINC000829312325 602020710 /nfs/dbraw/zinc/02/07/10/602020710.db2.gz UVNHJOSCFOJGIW-MFKMUULPSA-N -1 1 293.367 1.979 20 0 CDADMM COC[C@](C)(CC(=O)[O-])NC/C(Cl)=C/Cl ZINC000831577297 602047788 /nfs/dbraw/zinc/04/77/88/602047788.db2.gz DYEZUKILQWZMTD-WYDVEAGSSA-N -1 1 256.129 1.775 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])n1 ZINC000832899245 602310974 /nfs/dbraw/zinc/31/09/74/602310974.db2.gz LTUFCBYKPPEWHS-TUAOUCFPSA-N -1 1 291.351 1.708 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])n1 ZINC000832899245 602310976 /nfs/dbraw/zinc/31/09/76/602310976.db2.gz LTUFCBYKPPEWHS-TUAOUCFPSA-N -1 1 291.351 1.708 20 0 CDADMM Cc1cc(C[C@@H](C)NC(=O)N2CCC(C(=O)[O-])CC2)n[nH]1 ZINC000818814188 604305107 /nfs/dbraw/zinc/30/51/07/604305107.db2.gz CWNPTLVTKKNICJ-SECBINFHSA-N -1 1 294.355 1.155 20 0 CDADMM C[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)c1cnccn1 ZINC000825478238 604326980 /nfs/dbraw/zinc/32/69/80/604326980.db2.gz FVLUYWVQRCRZEM-ZJUUUORDSA-N -1 1 250.302 1.270 20 0 CDADMM CC(C)(C(=O)[O-])[C@H](NC(=O)c1cnn[nH]1)c1ccccc1 ZINC000826103118 604390894 /nfs/dbraw/zinc/39/08/94/604390894.db2.gz NIXLPKGUWOXMEM-LLVKDONJSA-N -1 1 288.307 1.387 20 0 CDADMM C[C@@H](CC(=O)[O-])C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000827280779 604425752 /nfs/dbraw/zinc/42/57/52/604425752.db2.gz MOOMQFDTGOBCHW-CBAPKCEASA-N -1 1 251.286 1.014 20 0 CDADMM CC(C)Cc1noc(CNC(C)(C)CC(=O)[O-])n1 ZINC000826912950 604444793 /nfs/dbraw/zinc/44/47/93/604444793.db2.gz LJVDSPGUVTVVBQ-UHFFFAOYSA-N -1 1 255.318 1.611 20 0 CDADMM C[C@@H]1CN(C)C[C@H](C)N1C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833626024 604580517 /nfs/dbraw/zinc/58/05/17/604580517.db2.gz NYJFEGOVXSTBBG-QNWHQSFQSA-N -1 1 282.384 1.428 20 0 CDADMM C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000833620020 604580536 /nfs/dbraw/zinc/58/05/36/604580536.db2.gz BRSICNAYYFJRGK-PHIMTYICSA-N -1 1 291.351 1.941 20 0 CDADMM C[C@@H]1CN(C)[C@@H](C)CN1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000833617785 604613621 /nfs/dbraw/zinc/61/36/21/604613621.db2.gz HAAIXVKIZIFAPB-ZFDZMSFRSA-N -1 1 282.384 1.428 20 0 CDADMM COC(=O)c1cc(CN2CCSC[C@@H]2CC(=O)[O-])c[nH]1 ZINC000833712603 604661343 /nfs/dbraw/zinc/66/13/43/604661343.db2.gz KDIWTSIJYSPMFO-JTQLQIEISA-N -1 1 298.364 1.193 20 0 CDADMM Cc1ccc(F)c(CN2CCC([C@@H](O)C(=O)[O-])CC2)c1 ZINC000833749796 604760235 /nfs/dbraw/zinc/76/02/35/604760235.db2.gz VPVNIHIOXMTTEL-CQSZACIVSA-N -1 1 281.327 1.792 20 0 CDADMM Cc1ccc(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)o1 ZINC000826286725 607827234 /nfs/dbraw/zinc/82/72/34/607827234.db2.gz NRLOVCSXOTZDPG-UHFFFAOYSA-N -1 1 299.290 1.449 20 0 CDADMM Cc1ccc(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)o1 ZINC000826286725 607827235 /nfs/dbraw/zinc/82/72/35/607827235.db2.gz NRLOVCSXOTZDPG-UHFFFAOYSA-N -1 1 299.290 1.449 20 0 CDADMM C[C@@H]1[C@@H](C)N(C(=O)Nc2cccc(C(=O)[O-])c2)CCN1C ZINC000833583626 604803015 /nfs/dbraw/zinc/80/30/15/604803015.db2.gz JXFFMUTYUAGFCE-GHMZBOCLSA-N -1 1 291.351 1.941 20 0 CDADMM C[C@H]1[C@H](C)N(C(=O)CC(C)(C)CC(=O)[O-])CCN1C ZINC000833584374 604837931 /nfs/dbraw/zinc/83/79/31/604837931.db2.gz PXYYJQKYOINZMS-QWRGUYRKSA-N -1 1 270.373 1.428 20 0 CDADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(C)C ZINC000826294971 607718092 /nfs/dbraw/zinc/71/80/92/607718092.db2.gz LOHDQKPSSZUYIC-UHFFFAOYSA-N -1 1 284.323 1.541 20 0 CDADMM CCC[C@@H](C(=O)Nc1nc(CC(=O)[O-])cs1)N(C)C ZINC000833648897 605026360 /nfs/dbraw/zinc/02/63/60/605026360.db2.gz ZXWHWDUQULPXOU-VIFPVBQESA-N -1 1 285.369 1.439 20 0 CDADMM C/C(=C\C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)C(C)(C)C ZINC000833382021 605097033 /nfs/dbraw/zinc/09/70/33/605097033.db2.gz KPRBEQUTYYFKMA-RSKUSDAESA-N -1 1 296.411 1.986 20 0 CDADMM C[C@@H](C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)C(F)(F)F ZINC000833621738 605111420 /nfs/dbraw/zinc/11/14/20/605111420.db2.gz NQNXMTKLWSNQNO-BDAKNGLRSA-N -1 1 296.289 1.192 20 0 CDADMM C[C@@H](OC(=O)c1ccc2c(C=O)[nH]nc2c1)C(=O)[O-] ZINC000820189179 605138519 /nfs/dbraw/zinc/13/85/19/605138519.db2.gz CAEKEYKCAVBIAB-ZCFIWIBFSA-N -1 1 262.221 1.005 20 0 CDADMM CCc1oc(C(=O)[O-])cc1CN[C@@H](C(=O)NC)C(C)C ZINC000833678125 605140333 /nfs/dbraw/zinc/14/03/33/605140333.db2.gz IZTREVOHMJYZGW-GFCCVEGCSA-N -1 1 282.340 1.400 20 0 CDADMM CC(C)(C)C[C@H](Sc1nc(N)cc(N)n1)C(=O)[O-] ZINC000833429479 605149248 /nfs/dbraw/zinc/14/92/48/605149248.db2.gz LNPRYPZYSNTQAX-LURJTMIESA-N -1 1 270.358 1.623 20 0 CDADMM CC[C@@H](C)[C@H](C)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820864148 606154492 /nfs/dbraw/zinc/15/44/92/606154492.db2.gz WYEKWQVXBUJOOC-SFYZADRCSA-N -1 1 292.347 1.156 20 0 CDADMM CC[C@@H](C)[C@H](C)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820864148 606154494 /nfs/dbraw/zinc/15/44/94/606154494.db2.gz WYEKWQVXBUJOOC-SFYZADRCSA-N -1 1 292.347 1.156 20 0 CDADMM CCCCN1CC(=O)N[C@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821065254 606393330 /nfs/dbraw/zinc/39/33/30/606393330.db2.gz HRDNRTVKFMMCPG-GFCCVEGCSA-N -1 1 292.368 1.159 20 0 CDADMM CCN(CC(C)(C)O)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821170706 606465877 /nfs/dbraw/zinc/46/58/77/606465877.db2.gz VTWMMOIPSGJIPK-UHFFFAOYSA-N -1 1 296.762 1.512 20 0 CDADMM CCN(CC(C)(C)O)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821170706 606465875 /nfs/dbraw/zinc/46/58/75/606465875.db2.gz VTWMMOIPSGJIPK-UHFFFAOYSA-N -1 1 296.762 1.512 20 0 CDADMM OC[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C1CC1 ZINC000823705036 606468122 /nfs/dbraw/zinc/46/81/22/606468122.db2.gz DJHCXFPCYPDMGZ-MRVPVSSYSA-N -1 1 280.719 1.098 20 0 CDADMM OC[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C1CC1 ZINC000823705036 606468124 /nfs/dbraw/zinc/46/81/24/606468124.db2.gz DJHCXFPCYPDMGZ-MRVPVSSYSA-N -1 1 280.719 1.098 20 0 CDADMM CCc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000821476637 606531039 /nfs/dbraw/zinc/53/10/39/606531039.db2.gz QMUMTSGLOAQBCU-UHFFFAOYSA-N -1 1 283.295 1.405 20 0 CDADMM CCc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC000821476637 606531040 /nfs/dbraw/zinc/53/10/40/606531040.db2.gz QMUMTSGLOAQBCU-UHFFFAOYSA-N -1 1 283.295 1.405 20 0 CDADMM C[C@@H](CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccccc1 ZINC000820225203 606531624 /nfs/dbraw/zinc/53/16/24/606531624.db2.gz DAIMSZXNESVKRI-VIFPVBQESA-N -1 1 297.322 1.722 20 0 CDADMM C[C@@H](CC(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccccc1 ZINC000820225203 606531625 /nfs/dbraw/zinc/53/16/25/606531625.db2.gz DAIMSZXNESVKRI-VIFPVBQESA-N -1 1 297.322 1.722 20 0 CDADMM CCC1(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000820950352 606652772 /nfs/dbraw/zinc/65/27/72/606652772.db2.gz MZGSTFRGZFRPNN-UHFFFAOYSA-N -1 1 273.296 1.495 20 0 CDADMM CCC1(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000820950352 606652773 /nfs/dbraw/zinc/65/27/73/606652773.db2.gz MZGSTFRGZFRPNN-UHFFFAOYSA-N -1 1 273.296 1.495 20 0 CDADMM O=C(O[C@H]1CCCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823393558 606765444 /nfs/dbraw/zinc/76/54/44/606765444.db2.gz ZMVRSOLSQRTNIC-ZETCQYMHSA-N -1 1 280.309 1.264 20 0 CDADMM O=C(O[C@H]1CCCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823393558 606765446 /nfs/dbraw/zinc/76/54/46/606765446.db2.gz ZMVRSOLSQRTNIC-ZETCQYMHSA-N -1 1 280.309 1.264 20 0 CDADMM FC(F)Cn1ccc(NCc2ccc(-c3nnn[n-]3)o2)n1 ZINC000822732596 607229206 /nfs/dbraw/zinc/22/92/06/607229206.db2.gz LPXRVBVFMSXPEX-UHFFFAOYSA-N -1 1 295.253 1.533 20 0 CDADMM FC(F)Cn1ccc(NCc2ccc(-c3nn[n-]n3)o2)n1 ZINC000822732596 607229207 /nfs/dbraw/zinc/22/92/07/607229207.db2.gz LPXRVBVFMSXPEX-UHFFFAOYSA-N -1 1 295.253 1.533 20 0 CDADMM CC(C)CN(c1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC000095199327 607895997 /nfs/dbraw/zinc/89/59/97/607895997.db2.gz FTRVFVBCRDFPJF-UHFFFAOYSA-N -1 1 258.329 1.887 20 0 CDADMM CC(C)CN(c1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC000095199327 607895998 /nfs/dbraw/zinc/89/59/98/607895998.db2.gz FTRVFVBCRDFPJF-UHFFFAOYSA-N -1 1 258.329 1.887 20 0 CDADMM C[C@@H]1CC[C@H](COC(=O)c2sccc2-c2nn[n-]n2)O1 ZINC000824908342 608076317 /nfs/dbraw/zinc/07/63/17/608076317.db2.gz OBICAASKXZAGBJ-HTQZYQBOSA-N -1 1 294.336 1.653 20 0 CDADMM C[C@H](O)C(C)(C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000824677048 608098403 /nfs/dbraw/zinc/09/84/03/608098403.db2.gz AFLIJANUGZWJAG-LURJTMIESA-N -1 1 282.735 1.486 20 0 CDADMM C[C@H](O)C(C)(C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000824677048 608098404 /nfs/dbraw/zinc/09/84/04/608098404.db2.gz AFLIJANUGZWJAG-LURJTMIESA-N -1 1 282.735 1.486 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CCOC3(CCC3)C2)c1 ZINC000826514595 608235757 /nfs/dbraw/zinc/23/57/57/608235757.db2.gz WPBYUYGLLFOOSX-UHFFFAOYSA-N -1 1 272.312 1.021 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CCOC3(CCC3)C2)c1 ZINC000826514595 608235759 /nfs/dbraw/zinc/23/57/59/608235759.db2.gz WPBYUYGLLFOOSX-UHFFFAOYSA-N -1 1 272.312 1.021 20 0 CDADMM CCN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825439699 608388391 /nfs/dbraw/zinc/38/83/91/608388391.db2.gz KZKJNBYTMHPWCP-UHFFFAOYSA-N -1 1 281.323 1.683 20 0 CDADMM CCN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825439699 608388393 /nfs/dbraw/zinc/38/83/93/608388393.db2.gz KZKJNBYTMHPWCP-UHFFFAOYSA-N -1 1 281.323 1.683 20 0 CDADMM c1coc(CSc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826526249 608389556 /nfs/dbraw/zinc/38/95/56/608389556.db2.gz QMYCZUXOLGTSIR-UHFFFAOYSA-N -1 1 260.282 1.542 20 0 CDADMM c1coc(CSc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826526249 608389558 /nfs/dbraw/zinc/38/95/58/608389558.db2.gz QMYCZUXOLGTSIR-UHFFFAOYSA-N -1 1 260.282 1.542 20 0 CDADMM C[C@H]1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824927843 608403265 /nfs/dbraw/zinc/40/32/65/608403265.db2.gz QREBBPJUCWPRDO-VHSXEESVSA-N -1 1 273.344 1.895 20 0 CDADMM C[C@H]1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824927843 608403267 /nfs/dbraw/zinc/40/32/67/608403267.db2.gz QREBBPJUCWPRDO-VHSXEESVSA-N -1 1 273.344 1.895 20 0 CDADMM Cc1ncc(CNc2ccc(-c3nnn[n-]3)nn2)s1 ZINC000826330529 608404012 /nfs/dbraw/zinc/40/40/12/608404012.db2.gz YFVKRBLMGYPRTQ-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM Cc1ncc(CNc2ccc(-c3nn[n-]n3)nn2)s1 ZINC000826330529 608404014 /nfs/dbraw/zinc/40/40/14/608404014.db2.gz YFVKRBLMGYPRTQ-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM c1cc(N2C[C@@H]3CCCC[C@@H]3C2)nnc1-c1nnn[n-]1 ZINC000826516476 608429728 /nfs/dbraw/zinc/42/97/28/608429728.db2.gz MHKUTBYTNXUCRW-AOOOYVTPSA-N -1 1 271.328 1.283 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000826514680 608433333 /nfs/dbraw/zinc/43/33/33/608433333.db2.gz ZGTDRTUHNSWLIM-IQJOONFLSA-N -1 1 287.327 1.026 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000826514680 608433335 /nfs/dbraw/zinc/43/33/35/608433335.db2.gz ZGTDRTUHNSWLIM-IQJOONFLSA-N -1 1 287.327 1.026 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H]1CCC[C@@H]1O ZINC000826280870 608546348 /nfs/dbraw/zinc/54/63/48/608546348.db2.gz UHLXILMFZPBOCF-KOLCDFICSA-N -1 1 274.328 1.143 20 0 CDADMM c1csc(CCCNc2nccnc2-c2nnn[n-]2)c1 ZINC000826526261 608797311 /nfs/dbraw/zinc/79/73/11/608797311.db2.gz QZLGJGWEDWLOHW-UHFFFAOYSA-N -1 1 287.352 1.763 20 0 CDADMM c1csc(CCCNc2nccnc2-c2nn[n-]n2)c1 ZINC000826526261 608797313 /nfs/dbraw/zinc/79/73/13/608797313.db2.gz QZLGJGWEDWLOHW-UHFFFAOYSA-N -1 1 287.352 1.763 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1Cc1ccc2c(c1)COC2 ZINC000826501537 609328392 /nfs/dbraw/zinc/32/83/92/609328392.db2.gz VAUUVMLTYFGZMM-UHFFFAOYSA-N -1 1 295.302 1.107 20 0 CDADMM Cc1cnc([C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)o1 ZINC000826317372 609435083 /nfs/dbraw/zinc/43/50/83/609435083.db2.gz ALJOMIOUMBVXDZ-MRVPVSSYSA-N -1 1 271.284 1.731 20 0 CDADMM Cc1cnc([C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)o1 ZINC000826317372 609435085 /nfs/dbraw/zinc/43/50/85/609435085.db2.gz ALJOMIOUMBVXDZ-MRVPVSSYSA-N -1 1 271.284 1.731 20 0 CDADMM C[C@@H](C(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000826231897 609504632 /nfs/dbraw/zinc/50/46/32/609504632.db2.gz LWSVEXJRIUJDOX-SECBINFHSA-N -1 1 297.322 1.342 20 0 CDADMM C[C@@H](C(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000826231897 609504635 /nfs/dbraw/zinc/50/46/35/609504635.db2.gz LWSVEXJRIUJDOX-SECBINFHSA-N -1 1 297.322 1.342 20 0 CDADMM Cc1ccnc(Oc2cccnc2F)c1-c1nn[n-]n1 ZINC000826315152 609573301 /nfs/dbraw/zinc/57/33/01/609573301.db2.gz ZSRNPVBAANHDQP-UHFFFAOYSA-N -1 1 272.243 1.897 20 0 CDADMM c1cc(S[C@H]2CCCOC2)nc(-c2nnn[n-]2)c1 ZINC000826517995 609579902 /nfs/dbraw/zinc/57/99/02/609579902.db2.gz XSHXTCGBLVYDIQ-QMMMGPOBSA-N -1 1 263.326 1.533 20 0 CDADMM c1cc(S[C@H]2CCCOC2)nc(-c2nn[n-]n2)c1 ZINC000826517995 609579903 /nfs/dbraw/zinc/57/99/03/609579903.db2.gz XSHXTCGBLVYDIQ-QMMMGPOBSA-N -1 1 263.326 1.533 20 0 CDADMM CC(C)[C@H](C(=O)[N-]OC1CCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000812788483 617336242 /nfs/dbraw/zinc/33/62/42/617336242.db2.gz NMDTWEJWSCOGPM-MBNYWOFBSA-N -1 1 284.400 1.721 20 0 CDADMM Cc1[nH]ncc1CNC(=O)c1cccc(C(=O)[O-])c1 ZINC000042357816 617370510 /nfs/dbraw/zinc/37/05/10/617370510.db2.gz YYRJOEURBXQDQV-UHFFFAOYSA-N -1 1 259.265 1.346 20 0 CDADMM COC(=O)C[C@@H]1CC[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000891298852 617407551 /nfs/dbraw/zinc/40/75/51/617407551.db2.gz ASLNXPWDCKUBLM-RQJHMYQMSA-N -1 1 253.220 1.397 20 0 CDADMM COCc1nc(N[C@@H](C)C(=O)NC(C)(C)C)cc(=O)[n-]1 ZINC000892037117 617432096 /nfs/dbraw/zinc/43/20/96/617432096.db2.gz XLIVCDSVQHWJPI-QMMMGPOBSA-N -1 1 282.344 1.044 20 0 CDADMM COCc1nc(N(C)[C@@H](C)C(=O)NC(C)(C)C)cc(=O)[n-]1 ZINC000893257616 617496894 /nfs/dbraw/zinc/49/68/94/617496894.db2.gz SJERXFDKNWELOZ-VIFPVBQESA-N -1 1 296.371 1.068 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)C12CC(C1)C2 ZINC000891616509 617505755 /nfs/dbraw/zinc/50/57/55/617505755.db2.gz XXNHSEVXBSOEDN-UHFFFAOYSA-N -1 1 259.309 1.800 20 0 CDADMM CO[C@@H](C)CCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891617360 617506394 /nfs/dbraw/zinc/50/63/94/617506394.db2.gz GQTXYOJEYNZCDL-VIFPVBQESA-N -1 1 279.340 1.815 20 0 CDADMM CCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1[O-] ZINC000936208759 614866113 /nfs/dbraw/zinc/86/61/13/614866113.db2.gz RZLOFADNLJRKAX-QWRGUYRKSA-N -1 1 289.335 1.013 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@H]1C[C@@]12CCOC2 ZINC000891618901 617507405 /nfs/dbraw/zinc/50/74/05/617507405.db2.gz UOAKZIJMYBAAIO-MEBBXXQBSA-N -1 1 289.335 1.426 20 0 CDADMM C[C@@]1(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CCCO1 ZINC000891623262 617509094 /nfs/dbraw/zinc/50/90/94/617509094.db2.gz UUXWJUSUVRWORD-AWEZNQCLSA-N -1 1 277.324 1.569 20 0 CDADMM C[C@H](C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)n1cccn1 ZINC000891623170 617509444 /nfs/dbraw/zinc/50/94/44/617509444.db2.gz IPCKVSOHUBKBKF-SECBINFHSA-N -1 1 287.323 1.457 20 0 CDADMM C[C@H]1OCC[C@H]1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891623665 617510310 /nfs/dbraw/zinc/51/03/10/617510310.db2.gz XLAOIZNXIKSRLP-RKDXNWHRSA-N -1 1 277.324 1.425 20 0 CDADMM CCCCOCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891623746 617510431 /nfs/dbraw/zinc/51/04/31/617510431.db2.gz SNAIZBGZQAAQHE-UHFFFAOYSA-N -1 1 279.340 1.816 20 0 CDADMM CN(C(=O)C1(c2ccc(F)cc2F)CCC1)c1nn[n-]n1 ZINC000892955362 617972793 /nfs/dbraw/zinc/97/27/93/617972793.db2.gz ZTERPSNFNAEVML-UHFFFAOYSA-N -1 1 293.277 1.563 20 0 CDADMM COc1ccc(C(=O)N(C)c2nn[n-]n2)c(OC(F)F)c1 ZINC000892954856 617977376 /nfs/dbraw/zinc/97/73/76/617977376.db2.gz SZQLXRDSOPPGFT-UHFFFAOYSA-N -1 1 299.237 1.086 20 0 CDADMM COCc1nc(N2C[C@@H](C)S[C@@H](C)C2)cc(=O)[n-]1 ZINC000892697252 617599950 /nfs/dbraw/zinc/59/99/50/617599950.db2.gz PTNIHRKNDZCNHS-DTORHVGOSA-N -1 1 269.370 1.659 20 0 CDADMM COCc1nc(NCc2cccnc2N(C)C)cc(=O)[n-]1 ZINC000891814220 617605089 /nfs/dbraw/zinc/60/50/89/617605089.db2.gz CFIWXCBJGXHURA-UHFFFAOYSA-N -1 1 289.339 1.402 20 0 CDADMM CCOC[C@H]1CCN(c2cc(=O)[n-]c(COC)n2)C1 ZINC000892791826 617752066 /nfs/dbraw/zinc/75/20/66/617752066.db2.gz KQQYYSJNPUTZAT-JTQLQIEISA-N -1 1 267.329 1.191 20 0 CDADMM CC(C)OC(=O)c1cc(NC(=O)[C@@H]2CCO[C@@H](C)C2)n[nH]1 ZINC000888119090 620750844 /nfs/dbraw/zinc/75/08/44/620750844.db2.gz RZUXXQHGDMPKKP-VHSXEESVSA-N -1 1 295.339 1.729 20 0 CDADMM COCc1nc(N[C@H]2CCCC[C@@H]2OC)cc(=O)[n-]1 ZINC000893700111 617868433 /nfs/dbraw/zinc/86/84/33/617868433.db2.gz AZPAEFPSFOQOTM-UWVGGRQHSA-N -1 1 267.329 1.698 20 0 CDADMM C[C@H]1C[C@H]([N-]C(=O)C(F)(F)c2nccs2)C(=O)O1 ZINC000848072336 617887325 /nfs/dbraw/zinc/88/73/25/617887325.db2.gz DQKOXOWJPYUDGE-WDSKDSINSA-N -1 1 276.264 1.055 20 0 CDADMM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)c1nn[n-]n1 ZINC000892954277 617974027 /nfs/dbraw/zinc/97/40/27/617974027.db2.gz HMFBQDLBWORIRB-SFYZADRCSA-N -1 1 263.326 1.336 20 0 CDADMM CC(C)[C@H]1CC[C@H](C(=O)N(C)c2nn[n-]n2)CC1 ZINC000892954628 617975769 /nfs/dbraw/zinc/97/57/69/617975769.db2.gz OAZBAIIADCXDIT-MGCOHNPYSA-N -1 1 251.334 1.625 20 0 CDADMM COCc1nc(NC[C@@H]2CCOC[C@H]2C)cc(=O)[n-]1 ZINC000893836897 618070163 /nfs/dbraw/zinc/07/01/63/618070163.db2.gz WCSPOBBKOIKWRP-ZJUUUORDSA-N -1 1 267.329 1.413 20 0 CDADMM CCOC1CC2(C1)CCN(c1cc(=O)[n-]c(COC)n1)C2 ZINC000893837335 618070376 /nfs/dbraw/zinc/07/03/76/618070376.db2.gz NFHUBRIMDGHCCB-UHFFFAOYSA-N -1 1 293.367 1.724 20 0 CDADMM CCc1ncc(CNc2cc(=O)[n-]c(COC)n2)o1 ZINC000894099958 618404801 /nfs/dbraw/zinc/40/48/01/618404801.db2.gz RKQJHARQLIAQAA-UHFFFAOYSA-N -1 1 264.285 1.491 20 0 CDADMM O=C([O-])C[C@@H]1COCCN1Cc1cccc2cnccc21 ZINC000902002871 618477003 /nfs/dbraw/zinc/47/70/03/618477003.db2.gz COJBKIZIGLVHMU-CQSZACIVSA-N -1 1 286.331 1.910 20 0 CDADMM CC1CCN(CC(=O)NCCCCC(=O)[O-])CC1 ZINC000820238322 618518256 /nfs/dbraw/zinc/51/82/56/618518256.db2.gz MZJFFUNKKLZPRL-UHFFFAOYSA-N -1 1 256.346 1.089 20 0 CDADMM C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000828214473 618613970 /nfs/dbraw/zinc/61/39/70/618613970.db2.gz NYOKAEMFOKGFIF-JFGNBEQYSA-N -1 1 270.373 1.475 20 0 CDADMM COC(=O)N1CC(C)(NCc2cccc([O-])c2Cl)C1 ZINC000894541758 618950925 /nfs/dbraw/zinc/95/09/25/618950925.db2.gz CRLCBSVBUWBNGB-UHFFFAOYSA-N -1 1 284.743 1.976 20 0 CDADMM CS(=O)(=O)CCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000896223895 620027787 /nfs/dbraw/zinc/02/77/87/620027787.db2.gz INRAKIXQLJSXRD-UHFFFAOYSA-N -1 1 286.284 1.168 20 0 CDADMM COC1CN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000896323561 620054140 /nfs/dbraw/zinc/05/41/40/620054140.db2.gz QGNUBQGDDPRRKZ-UHFFFAOYSA-N -1 1 273.288 1.722 20 0 CDADMM Cc1n[nH]c(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])c1C ZINC000909535835 620243776 /nfs/dbraw/zinc/24/37/76/620243776.db2.gz ZJLZBTRHXYGFPZ-QMTHXVAHSA-N -1 1 279.340 1.790 20 0 CDADMM CO[C@@H](CC(=O)[N-]OCc1ccccn1)C(F)(F)F ZINC000909544426 620276627 /nfs/dbraw/zinc/27/66/27/620276627.db2.gz QJCPQCQJOTUTOO-VIFPVBQESA-N -1 1 278.230 1.597 20 0 CDADMM O=C(CN1CCC[C@H](C(=O)[O-])C1)NCCC1CCC1 ZINC000909550306 620283204 /nfs/dbraw/zinc/28/32/04/620283204.db2.gz AONKIYYIIGCXOE-LBPRGKRZSA-N -1 1 268.357 1.089 20 0 CDADMM CC[C@@H](C(=O)Nc1ccc(OC)cc1C(=O)[O-])N(C)C ZINC000909605941 620503580 /nfs/dbraw/zinc/50/35/80/620503580.db2.gz BEKYCGQWXMIHDE-LBPRGKRZSA-N -1 1 280.324 1.672 20 0 CDADMM CC(C)Cc1ccc(C(=O)[N-]N2CN=NC2=O)s1 ZINC000897461292 620841761 /nfs/dbraw/zinc/84/17/61/620841761.db2.gz ZLYRHGQESXFJIT-UHFFFAOYSA-N -1 1 266.326 1.628 20 0 CDADMM O=S(=O)(Cc1ccsc1)c1n[n-]c(C2CC2)n1 ZINC000899471606 622270916 /nfs/dbraw/zinc/27/09/16/622270916.db2.gz ZKPCNXNRZLJIST-UHFFFAOYSA-N -1 1 269.351 1.718 20 0 CDADMM C[C@@H](Cn1cccn1)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900188224 622784644 /nfs/dbraw/zinc/78/46/44/622784644.db2.gz MEXDDCMVSKHDJX-VIFPVBQESA-N -1 1 287.323 1.075 20 0 CDADMM CC[C@@H](C)[C@](C)(O)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900851999 623567974 /nfs/dbraw/zinc/56/79/74/623567974.db2.gz CASBXPHLAWUINQ-RFAUZJTJSA-N -1 1 293.367 1.587 20 0 CDADMM CC[C@@H](O)CCCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900900628 623629734 /nfs/dbraw/zinc/62/97/34/623629734.db2.gz MKUQDHKASKMFMH-SNVBAGLBSA-N -1 1 279.340 1.341 20 0 CDADMM O=C([O-])[C@H]1CCN(C(=O)c2c(Cl)[nH]nc2C2CC2)C1 ZINC000901439046 624250323 /nfs/dbraw/zinc/25/03/23/624250323.db2.gz LFWVFDNUWUSZJI-ZETCQYMHSA-N -1 1 283.715 1.487 20 0 CDADMM O=C([O-])[C@@H]1CCCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000901499117 624302794 /nfs/dbraw/zinc/30/27/94/624302794.db2.gz KKEZLGSPUMSZST-SECBINFHSA-N -1 1 273.292 1.500 20 0 CDADMM C[C@@H](CN(C)Cc1cc(C(F)(F)F)nn1C)C(=O)[O-] ZINC000901595721 624353051 /nfs/dbraw/zinc/35/30/51/624353051.db2.gz AWDVAWKDCRDUKI-ZETCQYMHSA-N -1 1 279.262 1.591 20 0 CDADMM CC[C@H](NC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C)C(=O)[O-] ZINC000901704987 624403250 /nfs/dbraw/zinc/40/32/50/624403250.db2.gz XYMNLFGMALLWQK-ARENWVFISA-N -1 1 265.313 1.055 20 0 CDADMM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000901707626 624423683 /nfs/dbraw/zinc/42/36/83/624423683.db2.gz IKOMYBGPHFDWRN-BSTOTGJRSA-N -1 1 291.351 1.445 20 0 CDADMM Cc1oc(CNCCOC[C@H]2CCCO2)cc1C(=O)[O-] ZINC000902189384 624543584 /nfs/dbraw/zinc/54/35/84/624543584.db2.gz WYIIZKPOHGMEGA-LLVKDONJSA-N -1 1 283.324 1.571 20 0 CDADMM CC[C@@H](C)NC(=O)[C@H](C)NCc1cc(C(=O)[O-])oc1C 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CCC[C@H](C)CC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001604135854 1163101843 /nfs/dbraw/zinc/10/18/43/1163101843.db2.gz DPOWTSPFGIHBIR-ZETCQYMHSA-N -1 1 263.305 1.355 20 0 CDADMM CCC[C@H](C)CC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001604135854 1163101844 /nfs/dbraw/zinc/10/18/44/1163101844.db2.gz DPOWTSPFGIHBIR-ZETCQYMHSA-N -1 1 263.305 1.355 20 0 CDADMM CCC/C=C/C(=O)NCc1ccnc(-c2nn[nH]n2)c1 ZINC001604157184 1163109972 /nfs/dbraw/zinc/10/99/72/1163109972.db2.gz XJMNOVKIQOXLNZ-SNAWJCMRSA-N -1 1 272.312 1.234 20 0 CDADMM C[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001604240999 1163132842 /nfs/dbraw/zinc/13/28/42/1163132842.db2.gz OJSNUOCTUXCSAO-QMMMGPOBSA-N -1 1 288.307 1.507 20 0 CDADMM C[C@H](O)CN(Cc1oncc1C(=O)[O-])Cc1ccccc1 ZINC001604387031 1163172544 /nfs/dbraw/zinc/17/25/44/1163172544.db2.gz IYVACWLZZOJYIJ-NSHDSACASA-N -1 1 290.319 1.756 20 0 CDADMM CCOC[C@@H](Nc1cc(C)nc(-c2nnn[n-]2)c1)C(C)C ZINC001604421777 1163184364 /nfs/dbraw/zinc/18/43/64/1163184364.db2.gz MFZOEBNFRSEKHL-CYBMUJFWSA-N -1 1 290.371 1.465 20 0 CDADMM CCOC[C@@H](Nc1cc(C)nc(-c2nn[n-]n2)c1)C(C)C ZINC001604421777 1163184369 /nfs/dbraw/zinc/18/43/69/1163184369.db2.gz MFZOEBNFRSEKHL-CYBMUJFWSA-N -1 1 290.371 1.465 20 0 CDADMM CCc1cccc(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)n1 ZINC001604528830 1163220158 /nfs/dbraw/zinc/22/01/58/1163220158.db2.gz KXZBEQRKDIIEFI-UHFFFAOYSA-N -1 1 298.310 1.108 20 0 CDADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCOC[C@@H]2CC2CC2)O1 ZINC001604610095 1163247817 /nfs/dbraw/zinc/24/78/17/1163247817.db2.gz MXJYSQSGLFVWMR-STQMWFEESA-N -1 1 281.352 1.635 20 0 CDADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1CC(=O)OC(C)(C)C ZINC001604652198 1163269199 /nfs/dbraw/zinc/26/91/99/1163269199.db2.gz KZHJDVSEQHMYNR-NXEZZACHSA-N -1 1 271.357 1.902 20 0 CDADMM CN(C[C@H]1CCCCO1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001604728984 1163299118 /nfs/dbraw/zinc/29/91/18/1163299118.db2.gz JKPKIZPGNNNONF-SNVBAGLBSA-N -1 1 291.311 1.101 20 0 CDADMM CN(C[C@H]1CCCCO1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001604728984 1163299125 /nfs/dbraw/zinc/29/91/25/1163299125.db2.gz JKPKIZPGNNNONF-SNVBAGLBSA-N -1 1 291.311 1.101 20 0 CDADMM CCCC[C@H](N[C@H](C)C(=O)NCc1ccccc1)C(=O)[O-] ZINC001605243383 1163500500 /nfs/dbraw/zinc/50/05/00/1163500500.db2.gz XTNLMNODROLJBY-OCCSQVGLSA-N -1 1 292.379 1.924 20 0 CDADMM COc1ccc(COc2cnc(-c3nn[n-]n3)nc2)cc1C ZINC001605288338 1163515336 /nfs/dbraw/zinc/51/53/36/1163515336.db2.gz XKZDSCZNQNBQMN-UHFFFAOYSA-N -1 1 298.306 1.553 20 0 CDADMM C[C@@H]1CCC[C@H](C)N1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001605442916 1163564930 /nfs/dbraw/zinc/56/49/30/1163564930.db2.gz VLWDPZQVEJFPDJ-AOOOYVTPSA-N -1 1 286.339 1.665 20 0 CDADMM C[C@@H]1CCC[C@H](C)N1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001605442916 1163564938 /nfs/dbraw/zinc/56/49/38/1163564938.db2.gz VLWDPZQVEJFPDJ-AOOOYVTPSA-N -1 1 286.339 1.665 20 0 CDADMM CCN1CCCC[C@H]1C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001605477207 1163581934 /nfs/dbraw/zinc/58/19/34/1163581934.db2.gz KAGKEMJJXHIHCK-OLZOCXBDSA-N -1 1 282.384 1.478 20 0 CDADMM Cc1cc(N[C@@H](C(C)C)C2CC2)cc(-c2nnn[n-]2)n1 ZINC001605717086 1163650540 /nfs/dbraw/zinc/65/05/40/1163650540.db2.gz FZBMRTQLOXWBDV-ZDUSSCGKSA-N -1 1 272.356 1.839 20 0 CDADMM Cc1cc(N[C@@H](C(C)C)C2CC2)cc(-c2nn[n-]n2)n1 ZINC001605717086 1163650542 /nfs/dbraw/zinc/65/05/42/1163650542.db2.gz FZBMRTQLOXWBDV-ZDUSSCGKSA-N -1 1 272.356 1.839 20 0 CDADMM Cc1cc(NCC2(CO)CCC2)nc(-c2nnn[n-]2)c1 ZINC001605728580 1163654648 /nfs/dbraw/zinc/65/46/48/1163654648.db2.gz PGYCJBOKCBYWDB-UHFFFAOYSA-N -1 1 274.328 1.145 20 0 CDADMM Cc1cc(NCC2(CO)CCC2)nc(-c2nn[n-]n2)c1 ZINC001605728580 1163654650 /nfs/dbraw/zinc/65/46/50/1163654650.db2.gz PGYCJBOKCBYWDB-UHFFFAOYSA-N -1 1 274.328 1.145 20 0 CDADMM Cc1ccc(C(=O)OCc2cccnc2-c2nnn[n-]2)o1 ZINC001605824978 1163680706 /nfs/dbraw/zinc/68/07/06/1163680706.db2.gz JGNRTZCBUWMRKU-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1ccc(C(=O)OCc2cccnc2-c2nn[n-]n2)o1 ZINC001605824978 1163680708 /nfs/dbraw/zinc/68/07/08/1163680708.db2.gz JGNRTZCBUWMRKU-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1ccc(NCCOC2CCC2)c(-c2nnn[n-]2)n1 ZINC001605875046 1163701467 /nfs/dbraw/zinc/70/14/67/1163701467.db2.gz WOAYAOKAPHUFID-UHFFFAOYSA-N -1 1 274.328 1.551 20 0 CDADMM Cc1ccc(NCCOC2CCC2)c(-c2nn[n-]n2)n1 ZINC001605875046 1163701477 /nfs/dbraw/zinc/70/14/77/1163701477.db2.gz WOAYAOKAPHUFID-UHFFFAOYSA-N -1 1 274.328 1.551 20 0 CDADMM Cc1cccc(C)c1Cn1ccn2ncc(-c3nn[n-]n3)c12 ZINC001605908775 1163711631 /nfs/dbraw/zinc/71/16/31/1163711631.db2.gz QMRZCSHXQJNSPX-UHFFFAOYSA-N -1 1 293.334 1.981 20 0 CDADMM Cc1ccccc1[C@@H](C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001605936136 1163718911 /nfs/dbraw/zinc/71/89/11/1163718911.db2.gz GPUAZCSLYBFVSX-SECBINFHSA-N -1 1 297.322 1.398 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC3(C2)CCCC3)n1 ZINC001606020079 1163747878 /nfs/dbraw/zinc/74/78/78/1163747878.db2.gz RHGPCXFKIAKJGJ-UHFFFAOYSA-N -1 1 271.328 1.346 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC3(C2)CCCC3)n1 ZINC001606020079 1163747884 /nfs/dbraw/zinc/74/78/84/1163747884.db2.gz RHGPCXFKIAKJGJ-UHFFFAOYSA-N -1 1 271.328 1.346 20 0 CDADMM Cc1nc(N[C@H]2CSC2(C)C)cc(-c2nnn[n-]2)n1 ZINC001606067159 1163760845 /nfs/dbraw/zinc/76/08/45/1163760845.db2.gz PZCGUEQNAXQKFN-QMMMGPOBSA-N -1 1 277.357 1.271 20 0 CDADMM Cc1nc(N[C@H]2CSC2(C)C)cc(-c2nn[n-]n2)n1 ZINC001606067159 1163760852 /nfs/dbraw/zinc/76/08/52/1163760852.db2.gz PZCGUEQNAXQKFN-QMMMGPOBSA-N -1 1 277.357 1.271 20 0 CDADMM Cc1nc(NCCCOC(C)C)cc(-c2nnn[n-]2)n1 ZINC001606073922 1163762399 /nfs/dbraw/zinc/76/23/99/1163762399.db2.gz VYTJXXBCZNZQSZ-UHFFFAOYSA-N -1 1 277.332 1.192 20 0 CDADMM Cc1nc(NCCCOC(C)C)cc(-c2nn[n-]n2)n1 ZINC001606073922 1163762407 /nfs/dbraw/zinc/76/24/07/1163762407.db2.gz VYTJXXBCZNZQSZ-UHFFFAOYSA-N -1 1 277.332 1.192 20 0 CDADMM Cc1ncc(NC(=O)c2ccsc2-c2nnn[n-]2)cn1 ZINC001606092102 1163769902 /nfs/dbraw/zinc/76/99/02/1163769902.db2.gz KXMWOLAGHYFEOY-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1ncc(NC(=O)c2ccsc2-c2nn[n-]n2)cn1 ZINC001606092102 1163769905 /nfs/dbraw/zinc/76/99/05/1163769905.db2.gz KXMWOLAGHYFEOY-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1nn(C)c(C)c1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001606108827 1163774360 /nfs/dbraw/zinc/77/43/60/1163774360.db2.gz ADEVOJGACFTRLN-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1nn(C)c(C)c1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001606108827 1163774365 /nfs/dbraw/zinc/77/43/65/1163774365.db2.gz ADEVOJGACFTRLN-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1nsc(N2CCC[C@@H](F)C2)c1-c1nn[n-]n1 ZINC001606144983 1163786467 /nfs/dbraw/zinc/78/64/67/1163786467.db2.gz QYVYCLOQVWXLNQ-SSDOTTSWSA-N -1 1 268.321 1.570 20 0 CDADMM Cc1nsc(N[C@@H]2CO[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001606155895 1163792471 /nfs/dbraw/zinc/79/24/71/1163792471.db2.gz JVRJDDITUVTBQL-FSPLSTOPSA-N -1 1 266.330 1.221 20 0 CDADMM Clc1nc(N2CC[C@H]3C[C@H]3C2)sc1-c1nnn[n-]1 ZINC001606198440 1163805626 /nfs/dbraw/zinc/80/56/26/1163805626.db2.gz KZCIKYFALXAHAA-WDSKDSINSA-N -1 1 282.760 1.823 20 0 CDADMM Clc1nc(N2CC[C@H]3C[C@H]3C2)sc1-c1nn[n-]n1 ZINC001606198440 1163805632 /nfs/dbraw/zinc/80/56/32/1163805632.db2.gz KZCIKYFALXAHAA-WDSKDSINSA-N -1 1 282.760 1.823 20 0 CDADMM Fc1ccc2c(c1)N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001606326260 1163862910 /nfs/dbraw/zinc/86/29/10/1163862910.db2.gz AIRUZTKDMPQSLF-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM Fc1ccc2c(c1)N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001606326260 1163862911 /nfs/dbraw/zinc/86/29/11/1163862911.db2.gz AIRUZTKDMPQSLF-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM O=C(N[C@H]1CCC[C@H](F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606663451 1163953106 /nfs/dbraw/zinc/95/31/06/1163953106.db2.gz NZMGGPMRNAAMFA-UWVGGRQHSA-N -1 1 290.302 1.272 20 0 CDADMM O=C(N[C@H]1CCC[C@H](F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606663451 1163953111 /nfs/dbraw/zinc/95/31/11/1163953111.db2.gz NZMGGPMRNAAMFA-UWVGGRQHSA-N -1 1 290.302 1.272 20 0 CDADMM CO[C@]1(C)C[C@H](N(C)CN2C[C@@H](C(=O)[O-])CC2=O)C1(C)C ZINC001606713175 1163968666 /nfs/dbraw/zinc/96/86/66/1163968666.db2.gz HBDIDNRPGLQWNE-ZIBATOQPSA-N -1 1 298.383 1.012 20 0 CDADMM O=C(NCC12CCC(CC1)C2)c1cccc(-c2nnn[n-]2)n1 ZINC001606714688 1163968998 /nfs/dbraw/zinc/96/89/98/1163968998.db2.gz KPPXFTJVDLWVQQ-UHFFFAOYSA-N -1 1 298.350 1.572 20 0 CDADMM O=C(NCC12CCC(CC1)C2)c1cccc(-c2nn[n-]n2)n1 ZINC001606714688 1163968999 /nfs/dbraw/zinc/96/89/99/1163968999.db2.gz KPPXFTJVDLWVQQ-UHFFFAOYSA-N -1 1 298.350 1.572 20 0 CDADMM O=C(NC[C@@H]1CCC(F)(F)C1)c1ccc(-c2nnn[n-]2)o1 ZINC001606723557 1163972110 /nfs/dbraw/zinc/97/21/10/1163972110.db2.gz QPVWRGVFZAAJDK-SSDOTTSWSA-N -1 1 297.265 1.625 20 0 CDADMM O=C(NC[C@@H]1CCC(F)(F)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001606723557 1163972114 /nfs/dbraw/zinc/97/21/14/1163972114.db2.gz QPVWRGVFZAAJDK-SSDOTTSWSA-N -1 1 297.265 1.625 20 0 CDADMM O=C(NCC[C@H]1CC=CCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606760556 1163985633 /nfs/dbraw/zinc/98/56/33/1163985633.db2.gz GVEIYIDDZSEUSH-NSHDSACASA-N -1 1 298.350 1.738 20 0 CDADMM O=C(NCC[C@H]1CC=CCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606760556 1163985637 /nfs/dbraw/zinc/98/56/37/1163985637.db2.gz GVEIYIDDZSEUSH-NSHDSACASA-N -1 1 298.350 1.738 20 0 CDADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001606978571 1164046971 /nfs/dbraw/zinc/04/69/71/1164046971.db2.gz CFEWYWIONPOIQR-AEJSXWLSSA-N -1 1 288.307 1.939 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001606978571 1164046974 /nfs/dbraw/zinc/04/69/74/1164046974.db2.gz CFEWYWIONPOIQR-AEJSXWLSSA-N -1 1 288.307 1.939 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@H]2CCC[C@H]21 ZINC001607021996 1164063542 /nfs/dbraw/zinc/06/35/42/1164063542.db2.gz JXVASUMGBOUERF-ZWNOBZJWSA-N -1 1 298.350 1.666 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@H]2CCC[C@H]21 ZINC001607021996 1164063548 /nfs/dbraw/zinc/06/35/48/1164063548.db2.gz JXVASUMGBOUERF-ZWNOBZJWSA-N -1 1 298.350 1.666 20 0 CDADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC[C@H]2C[C@H]21 ZINC001607032077 1164064995 /nfs/dbraw/zinc/06/49/95/1164064995.db2.gz QYRWREVFENURPZ-IONNQARKSA-N -1 1 275.337 1.553 20 0 CDADMM c1cc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)c[nH]1 ZINC001607119139 1164101856 /nfs/dbraw/zinc/10/18/56/1164101856.db2.gz NJQREVKFNDDDKA-UHFFFAOYSA-N -1 1 270.300 1.407 20 0 CDADMM c1cc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)c[nH]1 ZINC001607119139 1164101863 /nfs/dbraw/zinc/10/18/63/1164101863.db2.gz NJQREVKFNDDDKA-UHFFFAOYSA-N -1 1 270.300 1.407 20 0 CDADMM c1ccc([C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)nc1 ZINC001607126249 1164108050 /nfs/dbraw/zinc/10/80/50/1164108050.db2.gz IUPURPNASQPQDI-LBPRGKRZSA-N -1 1 294.322 1.037 20 0 CDADMM c1ccc2c(c1)C[C@H](CNc1ccnc(-c3nnn[n-]3)c1)O2 ZINC001607131778 1164111258 /nfs/dbraw/zinc/11/12/58/1164111258.db2.gz OKYIUJBXRHBPJP-GFCCVEGCSA-N -1 1 294.318 1.099 20 0 CDADMM c1ccc2c(c1)C[C@H](CNc1ccnc(-c3nn[n-]n3)c1)O2 ZINC001607131778 1164111262 /nfs/dbraw/zinc/11/12/62/1164111262.db2.gz OKYIUJBXRHBPJP-GFCCVEGCSA-N -1 1 294.318 1.099 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NC[C@@H]2C[C@@H]3CCC[C@H]3O2)n1 ZINC001607139023 1164119975 /nfs/dbraw/zinc/11/99/75/1164119975.db2.gz SRNPUJQFAIWKIU-ATZCPNFKSA-N -1 1 287.327 1.026 20 0 CDADMM COc1cc(C)nc(CN[C@H](CC(F)(F)F)C(=O)[O-])c1 ZINC001607149694 1164121826 /nfs/dbraw/zinc/12/18/26/1164121826.db2.gz BRSMQESWJAJGGJ-SNVBAGLBSA-N -1 1 292.257 1.894 20 0 CDADMM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)CCc1c[nH]nn1 ZINC001607734061 1164281227 /nfs/dbraw/zinc/28/12/27/1164281227.db2.gz CKIYHUZDQFRSMG-UHFFFAOYSA-N -1 1 290.279 1.088 20 0 CDADMM Cc1cccc(NC(=O)[C@@H](C)N[C@@H](C(=O)[O-])C2CC2)c1 ZINC001607856125 1164314590 /nfs/dbraw/zinc/31/45/90/1164314590.db2.gz CWVUHCKJEDVSTL-ZWNOBZJWSA-N -1 1 276.336 1.775 20 0 CDADMM Cc1ccnc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)n1 ZINC001607894199 1164324323 /nfs/dbraw/zinc/32/43/23/1164324323.db2.gz XHLQTEJFCVYPIG-FRRDWIJNSA-N -1 1 275.352 1.860 20 0 CDADMM Cc1ccoc1CN(C)C[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC001607899119 1164327812 /nfs/dbraw/zinc/32/78/12/1164327812.db2.gz KCDHYCXMWQJGKF-WCBMZHEXSA-N -1 1 259.252 1.986 20 0 CDADMM Cc1oc(C[N@@H+](CC(=O)[O-])CC2CC2)cc1C(=O)[O-] ZINC001608049944 1164395001 /nfs/dbraw/zinc/39/50/01/1164395001.db2.gz ZIIBLLPNEFYDAE-UHFFFAOYSA-N -1 1 267.281 1.583 20 0 CDADMM Cc1oc(C[N@H+](CC(=O)[O-])CC2CC2)cc1C(=O)[O-] ZINC001608049944 1164395004 /nfs/dbraw/zinc/39/50/04/1164395004.db2.gz ZIIBLLPNEFYDAE-UHFFFAOYSA-N -1 1 267.281 1.583 20 0 CDADMM Cn1cc(NC(=O)[C@H]2NCCc3ccccc32)cc1C(=O)[O-] ZINC001608118785 1164416042 /nfs/dbraw/zinc/41/60/42/1164416042.db2.gz NJBJAKXAZSTCHJ-AWEZNQCLSA-N -1 1 299.330 1.549 20 0 CDADMM Cn1nc2c(c1CNCc1ccc(CC(=O)[O-])cc1)CCC2 ZINC001608151148 1164425761 /nfs/dbraw/zinc/42/57/61/1164425761.db2.gz CDHWENPVRSKBIA-UHFFFAOYSA-N -1 1 299.374 1.826 20 0 CDADMM Nc1nc(CN2CC3CC2(C(=O)[O-])C3)nc2ccccc12 ZINC001608276134 1164477767 /nfs/dbraw/zinc/47/77/67/1164477767.db2.gz VKIZITLPEPNSSB-UHFFFAOYSA-N -1 1 284.319 1.261 20 0 CDADMM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC001608526422 1164533206 /nfs/dbraw/zinc/53/32/06/1164533206.db2.gz OXYWAMIXQLDVGU-JGVFFNPUSA-N -1 1 277.255 1.751 20 0 CDADMM O=C([O-])[C@@H](CC(F)(F)F)NCc1ccc(Cl)nn1 ZINC001608529571 1164534414 /nfs/dbraw/zinc/53/44/14/1164534414.db2.gz BBZDQSNMQYNSPN-ZCFIWIBFSA-N -1 1 283.637 1.625 20 0 CDADMM O=C([O-])[C@H](CC(F)(F)F)NCc1cn(C2CC2)cn1 ZINC001608529773 1164534559 /nfs/dbraw/zinc/53/45/59/1164534559.db2.gz FTAXONXTTUBWIT-VIFPVBQESA-N -1 1 277.246 1.713 20 0 CDADMM O=C([O-])/C=C/c1ccc(CN2CCC[C@H](O)C2)o1 ZINC001608659844 1164593857 /nfs/dbraw/zinc/59/38/57/1164593857.db2.gz IVZPFHWMYIZKNK-PORFMDCZSA-N -1 1 251.282 1.334 20 0 CDADMM O=C([O-])C[C@H](NCc1nnc(-c2ccco2)o1)C1CC1 ZINC001608673879 1164598914 /nfs/dbraw/zinc/59/89/14/1164598914.db2.gz JDVUALHJYYHVEE-VIFPVBQESA-N -1 1 277.280 1.673 20 0 CDADMM O=C([O-])CC1(NCc2nnc(-c3ccccc3O)o2)CC1 ZINC001608688394 1164605056 /nfs/dbraw/zinc/60/50/56/1164605056.db2.gz LDZVULWEJNZFOL-UHFFFAOYSA-N -1 1 289.291 1.539 20 0 CDADMM O=C([O-])c1cnc(CN2CCC(CCF)CC2)cn1 ZINC001608971097 1164697568 /nfs/dbraw/zinc/69/75/68/1164697568.db2.gz UUTORTMLELIKSZ-UHFFFAOYSA-N -1 1 267.304 1.746 20 0 CDADMM O=C([O-])c1cncc(-c2nc([C@H]3CCCN3)no2)c1 ZINC001608979060 1164702365 /nfs/dbraw/zinc/70/23/65/1164702365.db2.gz HSTNYTGACILFCN-SECBINFHSA-N -1 1 260.253 1.254 20 0 CDADMM O=C([O-])c1cncc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC001608980456 1164703548 /nfs/dbraw/zinc/70/35/48/1164703548.db2.gz BNHVKCYYXKECFE-OAHLLOKOSA-N -1 1 299.330 1.828 20 0 CDADMM O=C([O-])C1(COC(=O)[C@H]2CCCN2C2CCCC2)CC1 ZINC001609017277 1164724198 /nfs/dbraw/zinc/72/41/98/1164724198.db2.gz GIHSDRLEFMMNSR-GFCCVEGCSA-N -1 1 281.352 1.801 20 0 CDADMM CC1(C)CC(CNc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001609144066 1164788315 /nfs/dbraw/zinc/78/83/15/1164788315.db2.gz HAQINJNZHKTLQB-UHFFFAOYSA-N -1 1 259.317 1.505 20 0 CDADMM CC1(C)CC(CNc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001609144066 1164788324 /nfs/dbraw/zinc/78/83/24/1164788324.db2.gz HAQINJNZHKTLQB-UHFFFAOYSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001609165828 1164796857 /nfs/dbraw/zinc/79/68/57/1164796857.db2.gz 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/nfs/dbraw/zinc/84/04/18/1164840418.db2.gz UKELEBAWEMSRRT-BDAKNGLRSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)ncn2)CCO1 ZINC001609199302 1164840424 /nfs/dbraw/zinc/84/04/24/1164840424.db2.gz UKELEBAWEMSRRT-BDAKNGLRSA-N -1 1 275.316 1.026 20 0 CDADMM CCOc1ccc(CNc2n[nH]c(C)c2-c2nnn[n-]2)cc1 ZINC001609245050 1164865198 /nfs/dbraw/zinc/86/51/98/1164865198.db2.gz YDMIMOIHBXIDRL-UHFFFAOYSA-N -1 1 299.338 1.909 20 0 CDADMM CCOc1ccc(CNc2n[nH]c(C)c2-c2nn[n-]n2)cc1 ZINC001609245050 1164865203 /nfs/dbraw/zinc/86/52/03/1164865203.db2.gz YDMIMOIHBXIDRL-UHFFFAOYSA-N -1 1 299.338 1.909 20 0 CDADMM CO[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001609311078 1164888915 /nfs/dbraw/zinc/88/89/15/1164888915.db2.gz SDZBXENOURRVQV-VIFPVBQESA-N -1 1 277.332 1.130 20 0 CDADMM CO[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001609311078 1164888920 /nfs/dbraw/zinc/88/89/20/1164888920.db2.gz SDZBXENOURRVQV-VIFPVBQESA-N -1 1 277.332 1.130 20 0 CDADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CCCCF)c1 ZINC001609386243 1164920570 /nfs/dbraw/zinc/92/05/70/1164920570.db2.gz FOGAIHGHRXVEBR-UHFFFAOYSA-N -1 1 251.265 1.087 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)CC(F)(F)F)n1 ZINC001609392039 1164927184 /nfs/dbraw/zinc/92/71/84/1164927184.db2.gz DYUBHTFCIUBNEE-LURJTMIESA-N -1 1 287.249 1.718 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)CC(F)(F)F)n1 ZINC001609392039 1164927191 /nfs/dbraw/zinc/92/71/91/1164927191.db2.gz DYUBHTFCIUBNEE-LURJTMIESA-N -1 1 287.249 1.718 20 0 CDADMM Cc1cc(NC[C@@H]2C[C@@H](C)O[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001609409643 1164934802 /nfs/dbraw/zinc/93/48/02/1164934802.db2.gz RHAUSYMSNHEOED-MXWKQRLJSA-N -1 1 288.355 1.796 20 0 CDADMM Cc1cc(NC[C@@H]2C[C@@H](C)O[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001609409643 1164934806 /nfs/dbraw/zinc/93/48/06/1164934806.db2.gz RHAUSYMSNHEOED-MXWKQRLJSA-N -1 1 288.355 1.796 20 0 CDADMM Cc1[nH]nc(NC(=O)c2ccc(C)cc2)c1-c1nn[n-]n1 ZINC001609419355 1164940759 /nfs/dbraw/zinc/94/07/59/1164940759.db2.gz ANHAYLYDOZOEDM-UHFFFAOYSA-N -1 1 283.295 1.459 20 0 CDADMM Cc1ccc(NCc2nccs2)nc1-c1nnn[n-]1 ZINC001609427092 1164941990 /nfs/dbraw/zinc/94/19/90/1164941990.db2.gz LIIJYTRRQNMMSZ-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1ccc(NCc2nccs2)nc1-c1nn[n-]n1 ZINC001609427092 1164941998 /nfs/dbraw/zinc/94/19/98/1164941998.db2.gz LIIJYTRRQNMMSZ-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1ccccc1COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609436490 1164945349 /nfs/dbraw/zinc/94/53/49/1164945349.db2.gz SUXCASWKTRWRRD-UHFFFAOYSA-N -1 1 295.302 1.927 20 0 CDADMM Cc1ccccc1COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609436490 1164945357 /nfs/dbraw/zinc/94/53/57/1164945357.db2.gz SUXCASWKTRWRRD-UHFFFAOYSA-N -1 1 295.302 1.927 20 0 CDADMM Cc1nsc(NC(=O)N[C@H]2CC[C@H]2C)c1-c1nnn[n-]1 ZINC001609466018 1164961815 /nfs/dbraw/zinc/96/18/15/1164961815.db2.gz ZJPDPCCTYKAITH-VDTYLAMSSA-N -1 1 293.356 1.552 20 0 CDADMM Cc1nsc(NC(=O)N[C@H]2CC[C@H]2C)c1-c1nn[n-]n1 ZINC001609466018 1164961820 /nfs/dbraw/zinc/96/18/20/1164961820.db2.gz ZJPDPCCTYKAITH-VDTYLAMSSA-N -1 1 293.356 1.552 20 0 CDADMM Clc1nc(NCc2cc[nH]n2)sc1-c1nnn[n-]1 ZINC001609474578 1164967948 /nfs/dbraw/zinc/96/79/48/1164967948.db2.gz HISCUBGONGEQRR-UHFFFAOYSA-N -1 1 282.720 1.312 20 0 CDADMM Clc1nc(NCc2cc[nH]n2)sc1-c1nn[n-]n1 ZINC001609474578 1164967952 /nfs/dbraw/zinc/96/79/52/1164967952.db2.gz HISCUBGONGEQRR-UHFFFAOYSA-N -1 1 282.720 1.312 20 0 CDADMM FC1(F)CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001609486690 1164970356 /nfs/dbraw/zinc/97/03/56/1164970356.db2.gz VYBMEDKDKZAADO-UHFFFAOYSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(F)CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001609486690 1164970364 /nfs/dbraw/zinc/97/03/64/1164970364.db2.gz VYBMEDKDKZAADO-UHFFFAOYSA-N -1 1 295.297 1.894 20 0 CDADMM O=C(NCc1ccc(O)cc1)c1ccc(-c2nnn[n-]2)o1 ZINC001609555312 1164986468 /nfs/dbraw/zinc/98/64/68/1164986468.db2.gz NEINMDYWUDTQAO-UHFFFAOYSA-N -1 1 285.263 1.095 20 0 CDADMM O=C(NCc1ccc(O)cc1)c1ccc(-c2nn[n-]n2)o1 ZINC001609555312 1164986471 /nfs/dbraw/zinc/98/64/71/1164986471.db2.gz NEINMDYWUDTQAO-UHFFFAOYSA-N -1 1 285.263 1.095 20 0 CDADMM O=C(OC[C@H]1CCCOC1)c1csc(-c2nnn[n-]2)c1 ZINC001609574286 1164993709 /nfs/dbraw/zinc/99/37/09/1164993709.db2.gz PTHKTZOGPRFFPS-QMMMGPOBSA-N -1 1 294.336 1.512 20 0 CDADMM O=C(OC[C@H]1CCCOC1)c1csc(-c2nn[n-]n2)c1 ZINC001609574286 1164993714 /nfs/dbraw/zinc/99/37/14/1164993714.db2.gz PTHKTZOGPRFFPS-QMMMGPOBSA-N -1 1 294.336 1.512 20 0 CDADMM O=C(OC/C=C/Cl)c1ccc(-c2nn[n-]n2)o1 ZINC001609574416 1164994010 /nfs/dbraw/zinc/99/40/10/1164994010.db2.gz WEVRQQDKIMBWRC-DAFODLJHSA-N -1 1 254.633 1.369 20 0 CDADMM OCCCc1cccc(Nc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001609610635 1165003765 /nfs/dbraw/zinc/00/37/65/1165003765.db2.gz NCVSRLBLGFTRSS-UHFFFAOYSA-N -1 1 297.322 1.325 20 0 CDADMM OCCCc1cccc(Nc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001609610635 1165003773 /nfs/dbraw/zinc/00/37/73/1165003773.db2.gz NCVSRLBLGFTRSS-UHFFFAOYSA-N -1 1 297.322 1.325 20 0 CDADMM c1cc(-c2nc(-c3ccncn3)no2)sc1-c1nnn[n-]1 ZINC001609613159 1165006866 /nfs/dbraw/zinc/00/68/66/1165006866.db2.gz OKLCBCSSLFBUMP-UHFFFAOYSA-N -1 1 298.291 1.435 20 0 CDADMM c1cc(-c2nc(-c3ccncn3)no2)sc1-c1nn[n-]n1 ZINC001609613159 1165006873 /nfs/dbraw/zinc/00/68/73/1165006873.db2.gz OKLCBCSSLFBUMP-UHFFFAOYSA-N -1 1 298.291 1.435 20 0 CDADMM C[C@](O)(CN1CC[C@@H]1c1cccc(F)c1)C(=O)[O-] ZINC001609785421 1165079780 /nfs/dbraw/zinc/07/97/80/1165079780.db2.gz TZWHOMQMZKBNEF-YPMHNXCESA-N -1 1 253.273 1.408 20 0 CDADMM C[C@@H]1OCC[C@]12CN([C@H](C(=O)[O-])c1cccnc1)CCO2 ZINC001609880467 1165128393 /nfs/dbraw/zinc/12/83/93/1165128393.db2.gz XBCWACNLWHLEHM-WHOFXGATSA-N -1 1 292.335 1.087 20 0 CDADMM COc1ccc([C@@H](NCc2c[nH]cn2)C(=O)[O-])cc1Cl ZINC001610325135 1165289361 /nfs/dbraw/zinc/28/93/61/1165289361.db2.gz PMEHAMDAQWTYAG-GFCCVEGCSA-N -1 1 295.726 1.987 20 0 CDADMM Cc1cnc(C(=O)Nc2cccc(C(=O)[O-])c2O)c(O)c1 ZINC001610538458 1165344472 /nfs/dbraw/zinc/34/44/72/1165344472.db2.gz AHHBHSXUSASXQN-UHFFFAOYSA-N -1 1 288.259 1.752 20 0 CDADMM O=C([O-])[C@@H](NC[C@@H](O)C(F)(F)F)c1cccc(O)c1 ZINC001610718005 1165413888 /nfs/dbraw/zinc/41/38/88/1165413888.db2.gz MKARBFZBALDDHQ-BDAKNGLRSA-N -1 1 279.214 1.031 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](O)CN1Cc1coc2ccccc12 ZINC001610734104 1165421783 /nfs/dbraw/zinc/42/17/83/1165421783.db2.gz DSJQZOZFTIRXEF-JQWIXIFHSA-N -1 1 261.277 1.453 20 0 CDADMM Cc1ccncc1[C@H](C)NC(=O)c1ccc([O-])cn1 ZINC001632677420 1166367413 /nfs/dbraw/zinc/36/74/13/1166367413.db2.gz DBJBCPUQISEEOG-JTQLQIEISA-N -1 1 257.293 1.982 20 0 CDADMM C[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC000095255291 1166612579 /nfs/dbraw/zinc/61/25/79/1166612579.db2.gz KUHPYQSAVGTQLM-SECBINFHSA-N -1 1 259.317 1.283 20 0 CDADMM C[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC000095255291 1166612585 /nfs/dbraw/zinc/61/25/85/1166612585.db2.gz KUHPYQSAVGTQLM-SECBINFHSA-N -1 1 259.317 1.283 20 0 CDADMM O=C(NCCc1ccon1)c1ncc2ccccc2c1[O-] ZINC001637758861 1166783691 /nfs/dbraw/zinc/78/36/91/1166783691.db2.gz QTVFCCXYFCKEJU-UHFFFAOYSA-N -1 1 283.287 1.901 20 0 CDADMM CCC(=O)c1ccc(C(=O)Nc2c[n-][nH]c2=O)cc1 ZINC001638735257 1166868597 /nfs/dbraw/zinc/86/85/97/1166868597.db2.gz AEODHHADLDKRNV-UHFFFAOYSA-N -1 1 259.265 1.960 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1scnc1Cl ZINC001641716712 1167132790 /nfs/dbraw/zinc/13/27/90/1167132790.db2.gz YWZCKYJJDUTEFX-UHFFFAOYSA-N -1 1 258.690 1.786 20 0 CDADMM c1cc2sc(SCc3nn[n-]n3)nc2cn1 ZINC001644082706 1167293580 /nfs/dbraw/zinc/29/35/80/1167293580.db2.gz GKFOHKPEWIYXGY-UHFFFAOYSA-N -1 1 250.312 1.497 20 0 CDADMM O=S(=O)([N-][C@H]1CC[C@@H](O)C1)c1cc(F)ccc1F ZINC000352309666 1167318140 /nfs/dbraw/zinc/31/81/40/1167318140.db2.gz AKBDNJCFQSNGKE-DTWKUNHWSA-N -1 1 277.292 1.157 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)C1CCC(C(=O)N(C)C)CC1 ZINC001645987642 1167598679 /nfs/dbraw/zinc/59/86/79/1167598679.db2.gz GQIMNZAOCUVZKI-UHFFFAOYSA-N -1 1 294.355 1.257 20 0 CDADMM CN(C(=O)c1cc(Cl)c(Cl)n1C)c1nn[n-]n1 ZINC001646204455 1167693861 /nfs/dbraw/zinc/69/38/61/1167693861.db2.gz WWNGJUDNGNWLKC-UHFFFAOYSA-N -1 1 275.099 1.122 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2ccccc2-n2cncn2)c1[O-] ZINC001464032286 1167748346 /nfs/dbraw/zinc/74/83/46/1167748346.db2.gz QYEOSLLAGDRWCW-UHFFFAOYSA-N -1 1 284.279 1.257 20 0 CDADMM O=C([O-])[C@@H](CO)NCc1c(F)cccc1OC(F)(F)F ZINC001647417814 1168669910 /nfs/dbraw/zinc/66/99/10/1168669910.db2.gz WJHNCEQCMNPOAG-MRVPVSSYSA-N -1 1 297.204 1.259 20 0 CDADMM CCOCCS(=O)(=O)[N-]c1c(C)cccc1O ZINC000063154129 1169103455 /nfs/dbraw/zinc/10/34/55/1169103455.db2.gz BOBFICTWVDVCCR-UHFFFAOYSA-N -1 1 259.327 1.479 20 0 CDADMM Cn1ccnc1CCNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001649341364 1169219300 /nfs/dbraw/zinc/21/93/00/1169219300.db2.gz ZMWGTLYVEPLAQZ-UHFFFAOYSA-N -1 1 293.754 1.681 20 0 CDADMM C[C@H](C(=O)N[C@H](c1nn[n-]n1)c1ccccc1)C(C)(F)F ZINC001650029173 1169628668 /nfs/dbraw/zinc/62/86/68/1169628668.db2.gz SLWXGRNZIGQXLE-SCZZXKLOSA-N -1 1 295.293 1.697 20 0 CDADMM CC[C@H]1CCCN(c2nnc(-c3c[n-][nH]c3=O)n2C)CC1 ZINC001650278474 1170913756 /nfs/dbraw/zinc/91/37/56/1170913756.db2.gz JPFAXKVJTWNKKM-JTQLQIEISA-N -1 1 290.371 1.927 20 0 CDADMM CC(C)c1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)no1 ZINC001574409190 1170974854 /nfs/dbraw/zinc/97/48/54/1170974854.db2.gz JCDFBQSGGWLMAJ-UHFFFAOYSA-N -1 1 288.267 1.823 20 0 CDADMM CC(C)c1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)no1 ZINC001574409190 1170974863 /nfs/dbraw/zinc/97/48/63/1170974863.db2.gz JCDFBQSGGWLMAJ-UHFFFAOYSA-N -1 1 288.267 1.823 20 0 CDADMM Cc1ccc(C(=O)CCC(=O)OCc2nn[n-]n2)s1 ZINC001650483179 1171116034 /nfs/dbraw/zinc/11/60/34/1171116034.db2.gz QHAVEFLUQKDXFI-UHFFFAOYSA-N -1 1 280.309 1.276 20 0 CDADMM C[C@@H]1Cc2cc(Nc3ccnc(-c4nn[n-]n4)n3)ccc2O1 ZINC001576386961 1171411704 /nfs/dbraw/zinc/41/17/04/1171411704.db2.gz XDPRHLMEMOULKY-MRVPVSSYSA-N -1 1 295.306 1.146 20 0 CDADMM Cc1ccoc1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001581300167 1172601208 /nfs/dbraw/zinc/60/12/08/1172601208.db2.gz PKZLXKSZGZIGBK-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1ccoc1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001581300167 1172601214 /nfs/dbraw/zinc/60/12/14/1172601214.db2.gz PKZLXKSZGZIGBK-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM CCc1c2ccccc2oc1C(=O)Nc1nn[n-]n1 ZINC001586746278 1172958319 /nfs/dbraw/zinc/95/83/19/1172958319.db2.gz AWPOPXJOHFRURP-UHFFFAOYSA-N -1 1 257.253 1.761 20 0 CDADMM C=C/C=C/CCn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC001588530349 1173073647 /nfs/dbraw/zinc/07/36/47/1173073647.db2.gz KJZPOHBZSHHLMD-AATRIKPKSA-N -1 1 272.312 1.173 20 0 CDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001589132755 1173126096 /nfs/dbraw/zinc/12/60/96/1173126096.db2.gz JPFYKQQKGUEFBT-JGVFFNPUSA-N -1 1 289.343 1.601 20 0 CDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001589132755 1173126100 /nfs/dbraw/zinc/12/61/00/1173126100.db2.gz JPFYKQQKGUEFBT-JGVFFNPUSA-N -1 1 289.343 1.601 20 0 CDADMM CC(C)[C@H]([NH2+]Cc1csc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001589476259 1173147873 /nfs/dbraw/zinc/14/78/73/1173147873.db2.gz VTVMYKUSZJJJTG-VIFPVBQESA-N -1 1 281.341 1.127 20 0 CDADMM CC(C)[C@@H]1N(c2cncc(-c3nnn[n-]3)n2)CC12CCC2 ZINC001589520086 1173153818 /nfs/dbraw/zinc/15/38/18/1173153818.db2.gz OJNLACLMJRVNSX-LBPRGKRZSA-N -1 1 285.355 1.672 20 0 CDADMM CC(C)[C@@H]1N(c2cncc(-c3nn[n-]n3)n2)CC12CCC2 ZINC001589520086 1173153820 /nfs/dbraw/zinc/15/38/20/1173153820.db2.gz OJNLACLMJRVNSX-LBPRGKRZSA-N -1 1 285.355 1.672 20 0 CDADMM CC(C)[C@@H]1CCCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589508877 1173153852 /nfs/dbraw/zinc/15/38/52/1173153852.db2.gz KDXLMIFRMBLYBE-LBPRGKRZSA-N -1 1 286.339 1.522 20 0 CDADMM CC(C)[C@@H]1CCCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589508877 1173153855 /nfs/dbraw/zinc/15/38/55/1173153855.db2.gz KDXLMIFRMBLYBE-LBPRGKRZSA-N -1 1 286.339 1.522 20 0 CDADMM CC(C)C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001589571465 1173160259 /nfs/dbraw/zinc/16/02/59/1173160259.db2.gz ATZSVCGTUPFSPH-SNVBAGLBSA-N -1 1 289.339 1.968 20 0 CDADMM CC(C)C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001589571465 1173160260 /nfs/dbraw/zinc/16/02/60/1173160260.db2.gz ATZSVCGTUPFSPH-SNVBAGLBSA-N -1 1 289.339 1.968 20 0 CDADMM C[C@H](CNC(=O)c1coc(-c2nnn[n-]2)c1)CC(F)F ZINC001589869074 1173192877 /nfs/dbraw/zinc/19/28/77/1173192877.db2.gz OHPSSBYERQLIOH-LURJTMIESA-N -1 1 285.254 1.481 20 0 CDADMM C[C@H](CNC(=O)c1coc(-c2nn[n-]n2)c1)CC(F)F ZINC001589869074 1173192881 /nfs/dbraw/zinc/19/28/81/1173192881.db2.gz OHPSSBYERQLIOH-LURJTMIESA-N -1 1 285.254 1.481 20 0 CDADMM C[C@H](O)CCSCc1ccc(-c2nnn[n-]2)o1 ZINC001589999511 1173211612 /nfs/dbraw/zinc/21/16/12/1173211612.db2.gz TXEXJEBCGAALNQ-ZETCQYMHSA-N -1 1 254.315 1.464 20 0 CDADMM C[C@H](O)CCSCc1ccc(-c2nn[n-]n2)o1 ZINC001589999511 1173211615 /nfs/dbraw/zinc/21/16/15/1173211615.db2.gz TXEXJEBCGAALNQ-ZETCQYMHSA-N -1 1 254.315 1.464 20 0 CDADMM C[C@H](O)C(C)(C)CNc1cccc(-c2nnn[n-]2)n1 ZINC001589992968 1173223300 /nfs/dbraw/zinc/22/33/00/1173223300.db2.gz HEBBNQUXBJUJPC-QMMMGPOBSA-N -1 1 262.317 1.081 20 0 CDADMM C[C@H](O)C(C)(C)CNc1cccc(-c2nn[n-]n2)n1 ZINC001589992968 1173223302 /nfs/dbraw/zinc/22/33/02/1173223302.db2.gz HEBBNQUXBJUJPC-QMMMGPOBSA-N -1 1 262.317 1.081 20 0 CDADMM CC1(F)CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001590141413 1173259869 /nfs/dbraw/zinc/25/98/69/1173259869.db2.gz IKHPFNOARXBPRI-UHFFFAOYSA-N -1 1 262.292 1.590 20 0 CDADMM CC1(F)CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001590141413 1173259876 /nfs/dbraw/zinc/25/98/76/1173259876.db2.gz IKHPFNOARXBPRI-UHFFFAOYSA-N -1 1 262.292 1.590 20 0 CDADMM C[C@@]1(c2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)CCCO1 ZINC001590153532 1173275784 /nfs/dbraw/zinc/27/57/84/1173275784.db2.gz VXJIQOZCECNYFY-ZDUSSCGKSA-N -1 1 299.294 1.337 20 0 CDADMM C[C@@]1(c2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)CCCO1 ZINC001590153532 1173275787 /nfs/dbraw/zinc/27/57/87/1173275787.db2.gz VXJIQOZCECNYFY-ZDUSSCGKSA-N -1 1 299.294 1.337 20 0 CDADMM C[C@@H]1C[C@@H](COc2cccnc2-c2nnn[n-]2)CCO1 ZINC001590193260 1173287147 /nfs/dbraw/zinc/28/71/47/1173287147.db2.gz OIOCFBCNPROOIR-ZJUUUORDSA-N -1 1 275.312 1.456 20 0 CDADMM C[C@@H]1C[C@@H](COc2cccnc2-c2nn[n-]n2)CCO1 ZINC001590193260 1173287152 /nfs/dbraw/zinc/28/71/52/1173287152.db2.gz OIOCFBCNPROOIR-ZJUUUORDSA-N -1 1 275.312 1.456 20 0 CDADMM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCS1 ZINC001590210104 1173293993 /nfs/dbraw/zinc/29/39/93/1173293993.db2.gz LWYYBHCFYHXBMG-YUMQZZPRSA-N -1 1 277.357 1.353 20 0 CDADMM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCS1 ZINC001590210104 1173294000 /nfs/dbraw/zinc/29/40/00/1173294000.db2.gz LWYYBHCFYHXBMG-YUMQZZPRSA-N -1 1 277.357 1.353 20 0 CDADMM C[C@H]1C[C@@H]1C(=O)COC(=O)c1sccc1-c1nn[n-]n1 ZINC001590215832 1173295977 /nfs/dbraw/zinc/29/59/77/1173295977.db2.gz XSPWORNUUJZNDN-XPUUQOCRSA-N -1 1 292.320 1.310 20 0 CDADMM C[C@H]1CCC[C@H]1CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001590245858 1173318293 /nfs/dbraw/zinc/31/82/93/1173318293.db2.gz ASJCTUUYYYHFJU-YUMQZZPRSA-N -1 1 275.316 1.112 20 0 CDADMM C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590255101 1173323728 /nfs/dbraw/zinc/32/37/28/1173323728.db2.gz QHXQSYYGAANFDK-UWVGGRQHSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590255101 1173323732 /nfs/dbraw/zinc/32/37/32/1173323732.db2.gz QHXQSYYGAANFDK-UWVGGRQHSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCC1(F)F ZINC001590315669 1173351364 /nfs/dbraw/zinc/35/13/64/1173351364.db2.gz HLQQTYCDDNMPOS-SSDOTTSWSA-N -1 1 281.270 1.138 20 0 CDADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCC1(F)F ZINC001590315669 1173351372 /nfs/dbraw/zinc/35/13/72/1173351372.db2.gz HLQQTYCDDNMPOS-SSDOTTSWSA-N -1 1 281.270 1.138 20 0 CDADMM C/C=C(\C)C(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001590342518 1173367983 /nfs/dbraw/zinc/36/79/83/1173367983.db2.gz HNSVCYWZDYCPSV-AATRIKPKSA-N -1 1 278.341 1.561 20 0 CDADMM C/C=C(\C)C(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001590342518 1173367987 /nfs/dbraw/zinc/36/79/87/1173367987.db2.gz HNSVCYWZDYCPSV-AATRIKPKSA-N -1 1 278.341 1.561 20 0 CDADMM CCC(C)(C)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001590374437 1173379119 /nfs/dbraw/zinc/37/91/19/1173379119.db2.gz XULIDPHRLYJFAL-UHFFFAOYSA-N -1 1 266.330 1.698 20 0 CDADMM CCC(C)(C)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001590374437 1173379121 /nfs/dbraw/zinc/37/91/21/1173379121.db2.gz XULIDPHRLYJFAL-UHFFFAOYSA-N -1 1 266.330 1.698 20 0 CDADMM CCC(C)(C)CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590375625 1173379160 /nfs/dbraw/zinc/37/91/60/1173379160.db2.gz NVJGFGWEEJMUKY-UHFFFAOYSA-N -1 1 289.343 1.819 20 0 CDADMM CCC(C)(C)CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590375625 1173379167 /nfs/dbraw/zinc/37/91/67/1173379167.db2.gz NVJGFGWEEJMUKY-UHFFFAOYSA-N -1 1 289.343 1.819 20 0 CDADMM CCC(C)(C)[C@H](C)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590373541 1173381646 /nfs/dbraw/zinc/38/16/46/1173381646.db2.gz KCKCMOFMJNZRIY-VIFPVBQESA-N -1 1 288.355 1.816 20 0 CDADMM CCC(C)(C)[C@H](C)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590373541 1173381650 /nfs/dbraw/zinc/38/16/50/1173381650.db2.gz KCKCMOFMJNZRIY-VIFPVBQESA-N -1 1 288.355 1.816 20 0 CDADMM CC[C@](C)(NC(=O)c1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001590381768 1173383286 /nfs/dbraw/zinc/38/32/86/1173383286.db2.gz IXYCGYSGLGPMQG-AWEZNQCLSA-N -1 1 286.339 1.570 20 0 CDADMM CC[C@](C)(NC(=O)c1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001590381768 1173383295 /nfs/dbraw/zinc/38/32/95/1173383295.db2.gz IXYCGYSGLGPMQG-AWEZNQCLSA-N -1 1 286.339 1.570 20 0 CDADMM CC[C@H](COCC1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001590447340 1173410859 /nfs/dbraw/zinc/41/08/59/1173410859.db2.gz NDRPEISIAAVMEX-SNVBAGLBSA-N -1 1 289.343 1.274 20 0 CDADMM CC[C@H](COCC1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001590447340 1173410862 /nfs/dbraw/zinc/41/08/62/1173410862.db2.gz NDRPEISIAAVMEX-SNVBAGLBSA-N -1 1 289.343 1.274 20 0 CDADMM CC[C@H](Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O)OC ZINC001590451652 1173413052 /nfs/dbraw/zinc/41/30/52/1173413052.db2.gz KAVOTCCRACWEFB-SNVBAGLBSA-N -1 1 299.334 1.607 20 0 CDADMM CCC(F)(F)Cn1cc(-c2nn[n-]n2)ccc1=O ZINC001590451600 1173414717 /nfs/dbraw/zinc/41/47/17/1173414717.db2.gz IVZSSTJLVYZZRE-UHFFFAOYSA-N -1 1 255.228 1.074 20 0 CDADMM CC[C@]1(C)CCN(Cn2cccc(-c3nnn[n-]3)c2=O)C1 ZINC001590490274 1173431284 /nfs/dbraw/zinc/43/12/84/1173431284.db2.gz UXMUTCDJIICHGU-CQSZACIVSA-N -1 1 288.355 1.108 20 0 CDADMM CC/C=C/CCn1ccc(C)c(-c2nn[n-]n2)c1=O ZINC001590535542 1173456094 /nfs/dbraw/zinc/45/60/94/1173456094.db2.gz YHHWYYAWYSSQSC-SNAWJCMRSA-N -1 1 259.313 1.693 20 0 CDADMM CCCC[C@H](C(=O)Nc1c[nH]nc1-c1nn[n-]n1)C(C)C ZINC001590573884 1173469833 /nfs/dbraw/zinc/46/98/33/1173469833.db2.gz NJOSEBOCKYNVMW-VIFPVBQESA-N -1 1 291.359 1.991 20 0 CDADMM CCNc1ccc(Nc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC001590748369 1173505466 /nfs/dbraw/zinc/50/54/66/1173505466.db2.gz QUFBNQNEEUNQAW-UHFFFAOYSA-N -1 1 282.311 1.254 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](CC)[C@@H]2C)n1 ZINC001590905604 1173539140 /nfs/dbraw/zinc/53/91/40/1173539140.db2.gz FFUKIJRJUCGRHF-VHSXEESVSA-N -1 1 287.371 1.844 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](CC)[C@@H]2C)n1 ZINC001590905604 1173539142 /nfs/dbraw/zinc/53/91/42/1173539142.db2.gz FFUKIJRJUCGRHF-VHSXEESVSA-N -1 1 287.371 1.844 20 0 CDADMM CCc1nc(NC[C@]2(C)CCCO2)cc(-c2nnn[n-]2)n1 ZINC001590918056 1173542951 /nfs/dbraw/zinc/54/29/51/1173542951.db2.gz NNJFVEGIGTZVRP-ZDUSSCGKSA-N -1 1 289.343 1.200 20 0 CDADMM CCc1nc(NC[C@]2(C)CCCO2)cc(-c2nn[n-]n2)n1 ZINC001590918056 1173542959 /nfs/dbraw/zinc/54/29/59/1173542959.db2.gz NNJFVEGIGTZVRP-ZDUSSCGKSA-N -1 1 289.343 1.200 20 0 CDADMM CCc1nc(N[C@@H]2C[C@H]2c2ccco2)cc(-c2nnn[n-]2)n1 ZINC001590923692 1173542981 /nfs/dbraw/zinc/54/29/81/1173542981.db2.gz QBIUJRQKDFLHIA-RKDXNWHRSA-N -1 1 297.322 1.780 20 0 CDADMM CCc1nc(N[C@@H]2C[C@H]2c2ccco2)cc(-c2nn[n-]n2)n1 ZINC001590923692 1173542985 /nfs/dbraw/zinc/54/29/85/1173542985.db2.gz QBIUJRQKDFLHIA-RKDXNWHRSA-N -1 1 297.322 1.780 20 0 CDADMM CCc1nc(NC[C@@H]2CC2(C)C)cc(-c2nnn[n-]2)n1 ZINC001590918134 1173544904 /nfs/dbraw/zinc/54/49/04/1173544904.db2.gz RSPDEARZGPTKIY-QMMMGPOBSA-N -1 1 273.344 1.677 20 0 CDADMM CCc1nc(NC[C@@H]2CC2(C)C)cc(-c2nn[n-]n2)n1 ZINC001590918134 1173544907 /nfs/dbraw/zinc/54/49/07/1173544907.db2.gz RSPDEARZGPTKIY-QMMMGPOBSA-N -1 1 273.344 1.677 20 0 CDADMM CN(C[Si](C)(C)C)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001591125269 1173574029 /nfs/dbraw/zinc/57/40/29/1173574029.db2.gz CIILQNGGYLRTNF-UHFFFAOYSA-N -1 1 295.444 1.878 20 0 CDADMM CN(C[Si](C)(C)C)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001591125269 1173574031 /nfs/dbraw/zinc/57/40/31/1173574031.db2.gz CIILQNGGYLRTNF-UHFFFAOYSA-N -1 1 295.444 1.878 20 0 CDADMM CN(Cc1nc(-c2nnn[n-]2)cs1)c1cccc(O)c1 ZINC001591152344 1173580837 /nfs/dbraw/zinc/58/08/37/1173580837.db2.gz YDPPUCWEJXIKQE-UHFFFAOYSA-N -1 1 288.336 1.665 20 0 CDADMM CN(c1ccnc(-c2nnn[n-]2)c1)C(C1CC1)C1CC1 ZINC001591158080 1173584496 /nfs/dbraw/zinc/58/44/96/1173584496.db2.gz WPOPSQRHUXDNMU-UHFFFAOYSA-N -1 1 270.340 1.887 20 0 CDADMM CN(c1ccnc(-c2nn[n-]n2)c1)C(C1CC1)C1CC1 ZINC001591158080 1173584503 /nfs/dbraw/zinc/58/45/03/1173584503.db2.gz WPOPSQRHUXDNMU-UHFFFAOYSA-N -1 1 270.340 1.887 20 0 CDADMM COC(=O)C(C)(C)CSc1cccc(-c2nnn[n-]2)n1 ZINC001591226834 1173593789 /nfs/dbraw/zinc/59/37/89/1173593789.db2.gz LYQFZDUXCCKAJV-UHFFFAOYSA-N -1 1 293.352 1.553 20 0 CDADMM COC(=O)C(C)(C)CSc1cccc(-c2nn[n-]n2)n1 ZINC001591226834 1173593800 /nfs/dbraw/zinc/59/38/00/1173593800.db2.gz LYQFZDUXCCKAJV-UHFFFAOYSA-N -1 1 293.352 1.553 20 0 CDADMM COC(=O)/C(C)=C/CNc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001591227959 1173595352 /nfs/dbraw/zinc/59/53/52/1173595352.db2.gz GDBAIPBKXACOFB-XBXARRHUSA-N -1 1 288.311 1.101 20 0 CDADMM COC(=O)/C(C)=C/CNc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001591227959 1173595356 /nfs/dbraw/zinc/59/53/56/1173595356.db2.gz GDBAIPBKXACOFB-XBXARRHUSA-N -1 1 288.311 1.101 20 0 CDADMM COC(=O)c1ccc(Oc2ncccc2-c2nn[n-]n2)cc1 ZINC001591298312 1173599173 /nfs/dbraw/zinc/59/91/73/1173599173.db2.gz JDYXNJOVOXCOGU-UHFFFAOYSA-N -1 1 297.274 1.841 20 0 CDADMM COC(=O)c1ccc(NC[C@H]2C[C@@H]2C)c(-c2nnn[n-]2)n1 ZINC001591295593 1173599374 /nfs/dbraw/zinc/59/93/74/1173599374.db2.gz LBOUOVXZOBNLKW-JGVFFNPUSA-N -1 1 288.311 1.116 20 0 CDADMM COC(=O)c1ccc(NC[C@H]2C[C@@H]2C)c(-c2nn[n-]n2)n1 ZINC001591295593 1173599378 /nfs/dbraw/zinc/59/93/78/1173599378.db2.gz LBOUOVXZOBNLKW-JGVFFNPUSA-N -1 1 288.311 1.116 20 0 CDADMM CO[C@H](COC(=O)c1csc(-c2nnn[n-]2)c1)C(C)C ZINC001591334312 1173615136 /nfs/dbraw/zinc/61/51/36/1173615136.db2.gz IJTHTTWPJVEBMX-SECBINFHSA-N -1 1 296.352 1.756 20 0 CDADMM CO[C@H](COC(=O)c1csc(-c2nn[n-]n2)c1)C(C)C ZINC001591334312 1173615141 /nfs/dbraw/zinc/61/51/41/1173615141.db2.gz IJTHTTWPJVEBMX-SECBINFHSA-N -1 1 296.352 1.756 20 0 CDADMM COCC1(CNc2cc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001591390022 1173641585 /nfs/dbraw/zinc/64/15/85/1173641585.db2.gz XWNQRIKBHMABJK-UHFFFAOYSA-N -1 1 274.328 1.409 20 0 CDADMM COCC1(CNc2cc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001591390022 1173641592 /nfs/dbraw/zinc/64/15/92/1173641592.db2.gz XWNQRIKBHMABJK-UHFFFAOYSA-N -1 1 274.328 1.409 20 0 CDADMM COCc1ccc(Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001591457059 1173654385 /nfs/dbraw/zinc/65/43/85/1173654385.db2.gz MQWLPXKADBYSRU-UHFFFAOYSA-N -1 1 283.295 1.547 20 0 CDADMM COCc1ccc(Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001591457059 1173654386 /nfs/dbraw/zinc/65/43/86/1173654386.db2.gz MQWLPXKADBYSRU-UHFFFAOYSA-N -1 1 283.295 1.547 20 0 CDADMM COc1ccc(NCc2cccc(-c3nn[n-]n3)n2)nc1 ZINC001591618006 1173675706 /nfs/dbraw/zinc/67/57/06/1173675706.db2.gz HVGZUBDBHSFKKW-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](C)[C@H](F)C2)n1 ZINC001591884964 1173738371 /nfs/dbraw/zinc/73/83/71/1173738371.db2.gz ILHPFKNNLDFZGB-VXNVDRBHSA-N -1 1 277.307 1.149 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](C)[C@H](F)C2)n1 ZINC001591884964 1173738375 /nfs/dbraw/zinc/73/83/75/1173738375.db2.gz ILHPFKNNLDFZGB-VXNVDRBHSA-N -1 1 277.307 1.149 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)Cc2ccc(F)cc2)n1 ZINC001591884780 1173739246 /nfs/dbraw/zinc/73/92/46/1173739246.db2.gz ZDPSSGNXUSCHAP-UHFFFAOYSA-N -1 1 299.313 1.741 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)Cc2ccc(F)cc2)n1 ZINC001591884780 1173739250 /nfs/dbraw/zinc/73/92/50/1173739250.db2.gz ZDPSSGNXUSCHAP-UHFFFAOYSA-N -1 1 299.313 1.741 20 0 CDADMM Cc1cc(C)c(C(=O)Cn2cc(-c3nn[n-]n3)nn2)c(C)c1 ZINC001591945582 1173753475 /nfs/dbraw/zinc/75/34/75/1173753475.db2.gz LQGBSVRWPBGIPZ-UHFFFAOYSA-N -1 1 297.322 1.266 20 0 CDADMM Cc1cc(N2CCC[C@@H]2C[C@@H](C)O)cc(-c2nnn[n-]2)n1 ZINC001592006952 1173770828 /nfs/dbraw/zinc/77/08/28/1173770828.db2.gz QCOYTSKTHNEZPH-GHMZBOCLSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1cc(N2CCC[C@@H]2C[C@@H](C)O)cc(-c2nn[n-]n2)n1 ZINC001592006952 1173770834 /nfs/dbraw/zinc/77/08/34/1173770834.db2.gz QCOYTSKTHNEZPH-GHMZBOCLSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1cc(NCC[C@@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001592045599 1173783974 /nfs/dbraw/zinc/78/39/74/1173783974.db2.gz GUDNPNZXGGMFQY-NSHDSACASA-N -1 1 288.355 1.799 20 0 CDADMM Cc1cc(NCC[C@@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001592045599 1173783977 /nfs/dbraw/zinc/78/39/77/1173783977.db2.gz GUDNPNZXGGMFQY-NSHDSACASA-N -1 1 288.355 1.799 20 0 CDADMM Cc1cc(NCCc2cccnc2C)nc(-c2nn[n-]n2)c1 ZINC001592051465 1173786855 /nfs/dbraw/zinc/78/68/55/1173786855.db2.gz UAEVQFQRRZFKOS-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@@H](C(C)(C)O)C1 ZINC001592111056 1173802622 /nfs/dbraw/zinc/80/26/22/1173802622.db2.gz ZHXCQGCPEJJRDR-SNVBAGLBSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001592135502 1173813274 /nfs/dbraw/zinc/81/32/74/1173813274.db2.gz JBMLDMQCTUDGNY-SNVBAGLBSA-N -1 1 281.323 1.560 20 0 CDADMM Cc1ccc(NC[C@H]2CCOC[C@H]2C)nc1-c1nnn[n-]1 ZINC001592183717 1173828065 /nfs/dbraw/zinc/82/80/65/1173828065.db2.gz VNPQDLYRBYUASO-GHMZBOCLSA-N -1 1 288.355 1.655 20 0 CDADMM Cc1ccc(NC[C@H]2CCOC[C@H]2C)nc1-c1nn[n-]n1 ZINC001592183717 1173828068 /nfs/dbraw/zinc/82/80/68/1173828068.db2.gz VNPQDLYRBYUASO-GHMZBOCLSA-N -1 1 288.355 1.655 20 0 CDADMM Cc1ccc(NC[C@H](C)C[C@H](C)O)nc1-c1nnn[n-]1 ZINC001592183225 1173828470 /nfs/dbraw/zinc/82/84/70/1173828470.db2.gz PFVOFHVFAAVAHF-SCZZXKLOSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1ccc(NC[C@H](C)C[C@H](C)O)nc1-c1nn[n-]n1 ZINC001592183225 1173828476 /nfs/dbraw/zinc/82/84/76/1173828476.db2.gz PFVOFHVFAAVAHF-SCZZXKLOSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1ccc(N[C@@H]2COCC2(C)C)nc1-c1nnn[n-]1 ZINC001592183640 1173829745 /nfs/dbraw/zinc/82/97/45/1173829745.db2.gz HHSGFQGUCCACRJ-SECBINFHSA-N -1 1 274.328 1.407 20 0 CDADMM Cc1ccc(N[C@@H]2COCC2(C)C)nc1-c1nn[n-]n1 ZINC001592183640 1173829750 /nfs/dbraw/zinc/82/97/50/1173829750.db2.gz HHSGFQGUCCACRJ-SECBINFHSA-N -1 1 274.328 1.407 20 0 CDADMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@@H](C)[C@H](C)O)n1 ZINC001592353630 1173864925 /nfs/dbraw/zinc/86/49/25/1173864925.db2.gz GGJWJOOQCDUQAC-BQBZGAKWSA-N -1 1 280.357 1.135 20 0 CDADMM Fc1ccc(Nc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001592652657 1173956227 /nfs/dbraw/zinc/95/62/27/1173956227.db2.gz PPZMYYJRGIHKOG-UHFFFAOYSA-N -1 1 257.232 1.539 20 0 CDADMM Fc1ccc(Nc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001592652657 1173956231 /nfs/dbraw/zinc/95/62/31/1173956231.db2.gz PPZMYYJRGIHKOG-UHFFFAOYSA-N -1 1 257.232 1.539 20 0 CDADMM O=C(C[C@H]1CCCO1)OCc1ccc(-c2nn[n-]n2)s1 ZINC001592823250 1173994794 /nfs/dbraw/zinc/99/47/94/1173994794.db2.gz DEMVVHWQWRHZRK-MRVPVSSYSA-N -1 1 294.336 1.541 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC[C@@H]1CC=CCC1 ZINC001592915770 1174004422 /nfs/dbraw/zinc/00/44/22/1174004422.db2.gz UIFDHRBIPRJRAM-LLVKDONJSA-N -1 1 298.350 1.277 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC[C@@H]1CC=CCC1 ZINC001592915770 1174004429 /nfs/dbraw/zinc/00/44/29/1174004429.db2.gz UIFDHRBIPRJRAM-LLVKDONJSA-N -1 1 298.350 1.277 20 0 CDADMM O=C(N[C@@H]1CC12CCCCC2)c1coc(-c2nnn[n-]2)c1 ZINC001592966750 1174008574 /nfs/dbraw/zinc/00/85/74/1174008574.db2.gz GTMWIEYAUHSAPG-LLVKDONJSA-N -1 1 287.323 1.912 20 0 CDADMM O=C(N[C@@H]1CC12CCCCC2)c1coc(-c2nn[n-]n2)c1 ZINC001592966750 1174008580 /nfs/dbraw/zinc/00/85/80/1174008580.db2.gz GTMWIEYAUHSAPG-LLVKDONJSA-N -1 1 287.323 1.912 20 0 CDADMM O=C(N[C@H]1CC12CCCC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001592966721 1174008735 /nfs/dbraw/zinc/00/87/35/1174008735.db2.gz FPWJBLFKXIAHRM-NSHDSACASA-N -1 1 284.323 1.324 20 0 CDADMM O=C(N[C@H]1CC12CCCC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001592966721 1174008740 /nfs/dbraw/zinc/00/87/40/1174008740.db2.gz FPWJBLFKXIAHRM-NSHDSACASA-N -1 1 284.323 1.324 20 0 CDADMM O=C(NC1CCCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001592979336 1174010213 /nfs/dbraw/zinc/01/02/13/1174010213.db2.gz SSHWATYMJDJRNQ-UHFFFAOYSA-N -1 1 275.287 1.678 20 0 CDADMM O=C(NC1CCCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001592979336 1174010216 /nfs/dbraw/zinc/01/02/16/1174010216.db2.gz SSHWATYMJDJRNQ-UHFFFAOYSA-N -1 1 275.287 1.678 20 0 CDADMM O=C(NCC1CCCC1)c1csc(-c2nn[n-]n2)c1 ZINC001593032456 1174014924 /nfs/dbraw/zinc/01/49/24/1174014924.db2.gz XLOALXPDDUBQNI-UHFFFAOYSA-N -1 1 277.353 1.848 20 0 CDADMM O=C(NCc1ccccc1F)c1ccc(-c2nnn[n-]2)o1 ZINC001593145601 1174025525 /nfs/dbraw/zinc/02/55/25/1174025525.db2.gz SNHHTMGKJNPXFM-UHFFFAOYSA-N -1 1 287.254 1.529 20 0 CDADMM O=C(NCc1ccccc1F)c1ccc(-c2nn[n-]n2)o1 ZINC001593145601 1174025533 /nfs/dbraw/zinc/02/55/33/1174025533.db2.gz SNHHTMGKJNPXFM-UHFFFAOYSA-N -1 1 287.254 1.529 20 0 CDADMM O=C(OCCOC1CC1)c1ccsc1-c1nnn[n-]1 ZINC001593290554 1174053881 /nfs/dbraw/zinc/05/38/81/1174053881.db2.gz ONVVBBMFLNQTHG-UHFFFAOYSA-N -1 1 280.309 1.264 20 0 CDADMM O=C(OCCOC1CC1)c1ccsc1-c1nn[n-]n1 ZINC001593290554 1174053888 /nfs/dbraw/zinc/05/38/88/1174053888.db2.gz ONVVBBMFLNQTHG-UHFFFAOYSA-N -1 1 280.309 1.264 20 0 CDADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)C1=CCCC1 ZINC001593297394 1174058118 /nfs/dbraw/zinc/05/81/18/1174058118.db2.gz HYAYLNRNRZFWGZ-UHFFFAOYSA-N -1 1 260.253 1.613 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)C1=CCCC1 ZINC001593297394 1174058126 /nfs/dbraw/zinc/05/81/26/1174058126.db2.gz HYAYLNRNRZFWGZ-UHFFFAOYSA-N -1 1 260.253 1.613 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CC[C@H](C2CCC2)C1 ZINC001593358066 1174070204 /nfs/dbraw/zinc/07/02/04/1174070204.db2.gz AFIJERIOFUKZJE-LBPRGKRZSA-N -1 1 298.350 1.524 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CC[C@H](C2CCC2)C1 ZINC001593358066 1174070211 /nfs/dbraw/zinc/07/02/11/1174070211.db2.gz AFIJERIOFUKZJE-LBPRGKRZSA-N -1 1 298.350 1.524 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC001593368356 1174070718 /nfs/dbraw/zinc/07/07/18/1174070718.db2.gz ZIAASDWCRKVDKL-WCQYABFASA-N -1 1 299.334 1.720 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC001593368356 1174070725 /nfs/dbraw/zinc/07/07/25/1174070725.db2.gz ZIAASDWCRKVDKL-WCQYABFASA-N -1 1 299.334 1.720 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCc2ccc(F)cc21 ZINC001593369432 1174071248 /nfs/dbraw/zinc/07/12/48/1174071248.db2.gz LBLQCFRESXHSCI-UHFFFAOYSA-N -1 1 299.265 1.802 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCc2ccc(F)cc21 ZINC001593369432 1174071254 /nfs/dbraw/zinc/07/12/54/1174071254.db2.gz LBLQCFRESXHSCI-UHFFFAOYSA-N -1 1 299.265 1.802 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1ccsc1Cl ZINC001593495580 1174086470 /nfs/dbraw/zinc/08/64/70/1174086470.db2.gz JVOKUGRPVPPJIY-UHFFFAOYSA-N -1 1 294.727 1.187 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1CCCC1CCOCC1 ZINC001593496835 1174090929 /nfs/dbraw/zinc/09/09/29/1174090929.db2.gz ZDJMYZGZPQOILY-UHFFFAOYSA-N -1 1 289.339 1.235 20 0 CDADMM O[C@H](CNc1cccnc1-c1nnn[n-]1)c1ccsc1 ZINC001593506887 1174091928 /nfs/dbraw/zinc/09/19/28/1174091928.db2.gz NYTGIZCSPXABCX-SNVBAGLBSA-N -1 1 288.336 1.469 20 0 CDADMM O[C@H](CNc1cccnc1-c1nn[n-]n1)c1ccsc1 ZINC001593506887 1174091936 /nfs/dbraw/zinc/09/19/36/1174091936.db2.gz NYTGIZCSPXABCX-SNVBAGLBSA-N -1 1 288.336 1.469 20 0 CDADMM c1cc(-c2nnn[n-]2)ncc1Cc1nc([C@H]2CCCO2)no1 ZINC001593551816 1174124233 /nfs/dbraw/zinc/12/42/33/1174124233.db2.gz QPXLGQLWFYWCDO-SNVBAGLBSA-N -1 1 299.294 1.087 20 0 CDADMM c1cc(-c2nn[n-]n2)ncc1Cc1nc([C@H]2CCCO2)no1 ZINC001593551816 1174124237 /nfs/dbraw/zinc/12/42/37/1174124237.db2.gz QPXLGQLWFYWCDO-SNVBAGLBSA-N -1 1 299.294 1.087 20 0 CDADMM c1cc(NCc2ccc(C3CC3)cc2)nc(-c2nn[n-]n2)n1 ZINC001593561733 1174138468 /nfs/dbraw/zinc/13/84/68/1174138468.db2.gz VLMNKEIFJKAPRL-UHFFFAOYSA-N -1 1 293.334 1.568 20 0 CDADMM c1cc(CNc2cncc(-c3nnn[n-]3)n2)cc2c1CCC2 ZINC001593565615 1174140842 /nfs/dbraw/zinc/14/08/42/1174140842.db2.gz RXOJOCDPVLJCMD-UHFFFAOYSA-N -1 1 293.334 1.758 20 0 CDADMM c1cc(CNc2cncc(-c3nn[n-]n3)n2)cc2c1CCC2 ZINC001593565615 1174140846 /nfs/dbraw/zinc/14/08/46/1174140846.db2.gz RXOJOCDPVLJCMD-UHFFFAOYSA-N -1 1 293.334 1.758 20 0 CDADMM c1ccc(-c2nnn(C[C@H]3CCCO3)c2-c2nn[n-]n2)cc1 ZINC001593567984 1174142280 /nfs/dbraw/zinc/14/22/80/1174142280.db2.gz JOXCRSJUQBOMHW-LLVKDONJSA-N -1 1 297.322 1.304 20 0 CDADMM c1ccc(-c2nnn(C[C@@H]3CCCO3)c2-c2nn[n-]n2)cc1 ZINC001593567985 1174142862 /nfs/dbraw/zinc/14/28/62/1174142862.db2.gz JOXCRSJUQBOMHW-NSHDSACASA-N -1 1 297.322 1.304 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCc2noc3c2CCCC3)c1 ZINC001593584307 1174153210 /nfs/dbraw/zinc/15/32/10/1174153210.db2.gz KYSUHELPSYMLTL-UHFFFAOYSA-N -1 1 297.322 1.741 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCc2noc3c2CCCC3)c1 ZINC001593584307 1174153212 /nfs/dbraw/zinc/15/32/12/1174153212.db2.gz KYSUHELPSYMLTL-UHFFFAOYSA-N -1 1 297.322 1.741 20 0 CDADMM c1cncc([C@@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)c1 ZINC001593588122 1174155492 /nfs/dbraw/zinc/15/54/92/1174155492.db2.gz VXULBVNFBXCSEA-ZDUSSCGKSA-N -1 1 294.322 1.615 20 0 CDADMM c1cncc([C@@H](Nc2cncc(-c3nn[n-]n3)n2)C2CC2)c1 ZINC001593588122 1174155496 /nfs/dbraw/zinc/15/54/96/1174155496.db2.gz VXULBVNFBXCSEA-ZDUSSCGKSA-N -1 1 294.322 1.615 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1N[C@H]1CCO[C@H](C2CC2)C1 ZINC001593590364 1174157923 /nfs/dbraw/zinc/15/79/23/1174157923.db2.gz PITSLIMLGDSOFB-ONGXEEELSA-N -1 1 287.327 1.026 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1N[C@H]1CCO[C@H](C2CC2)C1 ZINC001593590364 1174157929 /nfs/dbraw/zinc/15/79/29/1174157929.db2.gz PITSLIMLGDSOFB-ONGXEEELSA-N -1 1 287.327 1.026 20 0 CDADMM c1nc(NCC[C@@H]2CC[C@H]3C[C@H]32)cc(-c2nnn[n-]2)n1 ZINC001593591410 1174159602 /nfs/dbraw/zinc/15/96/02/1174159602.db2.gz PRYASQLGLNUSSP-GUBZILKMSA-N -1 1 271.328 1.505 20 0 CDADMM c1nc(NCC[C@@H]2CC[C@H]3C[C@H]32)cc(-c2nn[n-]n2)n1 ZINC001593591410 1174159606 /nfs/dbraw/zinc/15/96/06/1174159606.db2.gz PRYASQLGLNUSSP-GUBZILKMSA-N -1 1 271.328 1.505 20 0 CDADMM c1ncc(N2CCC(C3CCC3)CC2)nc1-c1nnn[n-]1 ZINC001593593492 1174162139 /nfs/dbraw/zinc/16/21/39/1174162139.db2.gz PIGAXGBGWOZVQQ-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM c1ncc(N2CCC(C3CCC3)CC2)nc1-c1nn[n-]n1 ZINC001593593492 1174162142 /nfs/dbraw/zinc/16/21/42/1174162142.db2.gz PIGAXGBGWOZVQQ-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM Cc1ccc(C)c(C(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)c1 ZINC001596081419 1174228132 /nfs/dbraw/zinc/22/81/32/1174228132.db2.gz NIVSWNWUKDHQJQ-UHFFFAOYSA-N -1 1 297.318 1.595 20 0 CDADMM Cc1cc(CN2CCC[C@@H]2C(=O)NCC(=O)[O-])c(C)s1 ZINC001600194608 1174400544 /nfs/dbraw/zinc/40/05/44/1174400544.db2.gz ILJYGVRSCMBVIT-GFCCVEGCSA-N -1 1 296.392 1.530 20 0 CDADMM Cc1cc(CN[C@H](C)c2ccnn2C)[nH]c1C(=O)[O-] ZINC001600203559 1174406549 /nfs/dbraw/zinc/40/65/49/1174406549.db2.gz OVBYVSPRUJMORV-SECBINFHSA-N -1 1 262.313 1.606 20 0 CDADMM Cc1ccc(N2CC[C@@H](N[C@H](C(=O)[O-])C3CC3)C2=O)cc1 ZINC001600434602 1174475741 /nfs/dbraw/zinc/47/57/41/1174475741.db2.gz JFVMJDFGZGOATK-KGLIPLIRSA-N -1 1 288.347 1.553 20 0 CDADMM CCCOc1ccc(-c2noc(Cc3nnn[n-]3)n2)cc1 ZINC000095171626 1174499566 /nfs/dbraw/zinc/49/95/66/1174499566.db2.gz CDKYWWCBVBUMMC-UHFFFAOYSA-N -1 1 286.295 1.629 20 0 CDADMM CCCOc1ccc(-c2noc(Cc3nn[n-]n3)n2)cc1 ZINC000095171626 1174499567 /nfs/dbraw/zinc/49/95/67/1174499567.db2.gz CDKYWWCBVBUMMC-UHFFFAOYSA-N -1 1 286.295 1.629 20 0 CDADMM Fc1ccc(-c2noc(Cc3nnn[n-]3)n2)c(F)c1 ZINC000095219684 1174514027 /nfs/dbraw/zinc/51/40/27/1174514027.db2.gz XFDDAHWQZQXHHW-UHFFFAOYSA-N -1 1 264.195 1.119 20 0 CDADMM Fc1ccc(-c2noc(Cc3nn[n-]n3)n2)c(F)c1 ZINC000095219684 1174514032 /nfs/dbraw/zinc/51/40/32/1174514032.db2.gz XFDDAHWQZQXHHW-UHFFFAOYSA-N -1 1 264.195 1.119 20 0 CDADMM Cc1nc(CC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)n[nH]1 ZINC001600671681 1174557616 /nfs/dbraw/zinc/55/76/16/1174557616.db2.gz UOSJXCLKRWQHFM-UHFFFAOYSA-N -1 1 292.270 1.440 20 0 CDADMM Cc1n[nH]nc1C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001600675936 1174559582 /nfs/dbraw/zinc/55/95/82/1174559582.db2.gz XMZACGWHZWSADW-JTQLQIEISA-N -1 1 280.328 1.124 20 0 CDADMM CCCN(CC1CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC000103611805 1174682365 /nfs/dbraw/zinc/68/23/65/1174682365.db2.gz RNRLNOSJCLCQME-UHFFFAOYSA-N -1 1 258.329 1.888 20 0 CDADMM CCCN(CC1CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC000103611805 1174682376 /nfs/dbraw/zinc/68/23/76/1174682376.db2.gz RNRLNOSJCLCQME-UHFFFAOYSA-N -1 1 258.329 1.888 20 0 CDADMM Nc1c(NC(=O)c2cnc3nc[nH]c3c2)cccc1C(=O)[O-] ZINC001601209863 1174789807 /nfs/dbraw/zinc/78/98/07/1174789807.db2.gz UJCLMLCPOXGLFE-UHFFFAOYSA-N -1 1 297.274 1.491 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)c3cscn3)[nH]c21 ZINC001601632131 1174918425 /nfs/dbraw/zinc/91/84/25/1174918425.db2.gz UPRYHBKMMMJLTB-UHFFFAOYSA-N -1 1 288.288 1.970 20 0 CDADMM O=C([O-])[C@H](c1ccccc1F)N1CC[C@@](O)(C2CC2)C1 ZINC001601697197 1174948577 /nfs/dbraw/zinc/94/85/77/1174948577.db2.gz ZZPBHTFKWCGIIK-ZFWWWQNUSA-N -1 1 279.311 1.798 20 0 CDADMM O=C([O-])[C@@H]1[C@@H](CNCc2nc3c(s2)CCC3)C1(F)F ZINC001601748097 1174982547 /nfs/dbraw/zinc/98/25/47/1174982547.db2.gz ARMZSXQHEHCEMC-LDWIPMOCSA-N -1 1 288.319 1.687 20 0 CDADMM O=C([O-])[C@@H]1[C@@H](O)CCCN1Cc1coc2ccccc12 ZINC001601752896 1174988595 /nfs/dbraw/zinc/98/85/95/1174988595.db2.gz KXNAAXYTZWUSOX-JSGCOSHPSA-N -1 1 275.304 1.843 20 0 CDADMM O=C([O-])[C@@H]1c2ccccc2OCCN1Cc1cnc[nH]1 ZINC001601876598 1175046057 /nfs/dbraw/zinc/04/60/57/1175046057.db2.gz WYXLNXLFMIWDDS-ZDUSSCGKSA-N -1 1 273.292 1.430 20 0 CDADMM O=C([O-])CC[N@@H+](CC=C(Cl)Cl)CC(=O)[O-] ZINC001602006115 1175109966 /nfs/dbraw/zinc/10/99/66/1175109966.db2.gz FAIPZGOMOVFDLW-UHFFFAOYSA-N -1 1 256.085 1.167 20 0 CDADMM O=C([O-])CCN1CCC[C@@H](N2Cc3ccccc3C2)C1=O ZINC001602011451 1175110440 /nfs/dbraw/zinc/11/04/40/1175110440.db2.gz LFSVPIVUDBESCZ-CQSZACIVSA-N -1 1 288.347 1.468 20 0 CDADMM O=C([O-])COC(=O)c1ccc(CN2CCCCC2)o1 ZINC001602075653 1175125708 /nfs/dbraw/zinc/12/57/08/1175125708.db2.gz KQFPREVINXHMBR-UHFFFAOYSA-N -1 1 267.281 1.507 20 0 CDADMM O=C([O-])c1cc(C2CCN(CCOC(F)F)CC2)no1 ZINC001602253202 1175182191 /nfs/dbraw/zinc/18/21/91/1175182191.db2.gz SSVPYHOVOCRUPW-UHFFFAOYSA-N -1 1 290.266 1.791 20 0 CDADMM O=C([O-])c1cc(CNC[C@@H](O)c2cccc(F)c2)on1 ZINC001602258757 1175186039 /nfs/dbraw/zinc/18/60/39/1175186039.db2.gz KKMRYKZZDYYNOC-GFCCVEGCSA-N -1 1 280.255 1.335 20 0 CDADMM O=C([O-])c1ccc(CNCc2c[nH]nn2)cc1Cl ZINC001602348686 1175220614 /nfs/dbraw/zinc/22/06/14/1175220614.db2.gz SOXYQLBKINUTIA-UHFFFAOYSA-N -1 1 266.688 1.446 20 0 CDADMM O=C([O-])c1ccc2c(c1)CCN(c1ncnc3[nH]cnc31)C2 ZINC001602418127 1175233949 /nfs/dbraw/zinc/23/39/49/1175233949.db2.gz LAAZUKBTOGLMLW-UHFFFAOYSA-N -1 1 295.302 1.614 20 0 CDADMM O=C([O-])c1cccc(CN2C[C@H]3C[C@@]3(CO)C2)c1Cl ZINC001602436374 1175238102 /nfs/dbraw/zinc/23/81/02/1175238102.db2.gz CIRGXCCTTFURBT-YGRLFVJLSA-N -1 1 281.739 1.852 20 0 CDADMM O=C([O-])c1ccccc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC001602463586 1175248045 /nfs/dbraw/zinc/24/80/45/1175248045.db2.gz KLQYWAZYANIMAA-GFCCVEGCSA-N -1 1 285.303 1.915 20 0 CDADMM O=C([O-])c1ccnc(C(=O)Nc2nc(-c3ccco3)n[nH]2)c1 ZINC001602481557 1175253943 /nfs/dbraw/zinc/25/39/43/1175253943.db2.gz QPWDTUPBIGABQF-UHFFFAOYSA-N -1 1 299.246 1.410 20 0 CDADMM C=COc1ccc(Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001602883984 1175442830 /nfs/dbraw/zinc/44/28/30/1175442830.db2.gz PFGOHIOZWBJCAC-UHFFFAOYSA-N -1 1 281.279 1.923 20 0 CDADMM C=COc1ccc(Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001602883984 1175442833 /nfs/dbraw/zinc/44/28/33/1175442833.db2.gz PFGOHIOZWBJCAC-UHFFFAOYSA-N -1 1 281.279 1.923 20 0 CDADMM CC(C)=C(C)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603177222 1175508767 /nfs/dbraw/zinc/50/87/67/1175508767.db2.gz IPEIGJHXZLDXBB-UHFFFAOYSA-N -1 1 258.285 1.557 20 0 CDADMM CC(C)=C(C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603177222 1175508774 /nfs/dbraw/zinc/50/87/74/1175508774.db2.gz IPEIGJHXZLDXBB-UHFFFAOYSA-N -1 1 258.285 1.557 20 0 CDADMM CC(C)CCOCCNc1ccnc(-c2nnn[n-]2)c1 ZINC001603283104 1175530340 /nfs/dbraw/zinc/53/03/40/1175530340.db2.gz PBHRHJVRQNYHEP-UHFFFAOYSA-N -1 1 276.344 1.736 20 0 CDADMM CC(C)CCOCCNc1ccnc(-c2nn[n-]n2)c1 ZINC001603283104 1175530344 /nfs/dbraw/zinc/53/03/44/1175530344.db2.gz PBHRHJVRQNYHEP-UHFFFAOYSA-N -1 1 276.344 1.736 20 0 CDADMM CC(C)OCCNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001603353595 1175545916 /nfs/dbraw/zinc/54/59/16/1175545916.db2.gz CZCRYRWZXYSJFM-UHFFFAOYSA-N -1 1 293.302 1.161 20 0 CDADMM CC(C)OCCNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001603353595 1175545919 /nfs/dbraw/zinc/54/59/19/1175545919.db2.gz CZCRYRWZXYSJFM-UHFFFAOYSA-N -1 1 293.302 1.161 20 0 CDADMM C[C@H](Cc1ccco1)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001603585471 1175572817 /nfs/dbraw/zinc/57/28/17/1175572817.db2.gz ZFWYHGLQUCKQQL-MRVPVSSYSA-N -1 1 271.284 1.293 20 0 CDADMM C[C@H](Cc1ccco1)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001603585471 1175572821 /nfs/dbraw/zinc/57/28/21/1175572821.db2.gz ZFWYHGLQUCKQQL-MRVPVSSYSA-N -1 1 271.284 1.293 20 0 CDADMM CC(C)[C@@H](C)NC(=O)CN[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001603721136 1175608221 /nfs/dbraw/zinc/60/82/21/1175608221.db2.gz MJGJDGYWBKBQHX-LALPHHSUSA-N -1 1 284.400 1.770 20 0 CDADMM C[C@]1(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CC=CCC1 ZINC001603752526 1175618261 /nfs/dbraw/zinc/61/82/61/1175618261.db2.gz VBMNXTPAACGMSQ-AWEZNQCLSA-N -1 1 284.323 1.947 20 0 CDADMM C[C@]1(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CC=CCC1 ZINC001603752526 1175618265 /nfs/dbraw/zinc/61/82/65/1175618265.db2.gz VBMNXTPAACGMSQ-AWEZNQCLSA-N -1 1 284.323 1.947 20 0 CDADMM CC(C)C[C@H](C(=O)[O-])N(C)[C@@H]1CCCCN(C)C1=O ZINC001603766244 1175623026 /nfs/dbraw/zinc/62/30/26/1175623026.db2.gz CTWBMDUFZZVSQC-VXGBXAGGSA-N -1 1 270.373 1.428 20 0 CDADMM C[C@]1(COC(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@H]1F ZINC001603807389 1175639130 /nfs/dbraw/zinc/63/91/30/1175639130.db2.gz CUEVEIYDFJZYQJ-NOZJJQNGSA-N -1 1 294.261 1.911 20 0 CDADMM C[C@]1(COC(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@H]1F ZINC001603807389 1175639136 /nfs/dbraw/zinc/63/91/36/1175639136.db2.gz CUEVEIYDFJZYQJ-NOZJJQNGSA-N -1 1 294.261 1.911 20 0 CDADMM CC(C)CN1CCC[C@H]1C(=O)Nc1cc(C(=O)[O-])nn1C ZINC001603816968 1175642306 /nfs/dbraw/zinc/64/23/06/1175642306.db2.gz YJBAZIKICIZCGS-NSHDSACASA-N -1 1 294.355 1.177 20 0 CDADMM CC(C)Cc1noc(CN[C@H](CC(=O)[O-])C2CC2)n1 ZINC001603853084 1175654830 /nfs/dbraw/zinc/65/48/30/1175654830.db2.gz LADBYFFIUJIRDS-SNVBAGLBSA-N -1 1 267.329 1.611 20 0 CDADMM C[C@@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC001603866343 1175659829 /nfs/dbraw/zinc/65/98/29/1175659829.db2.gz WJDAPRICCFBJHC-AYMMMOKOSA-N -1 1 275.316 1.025 20 0 CDADMM C[C@@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC001603866343 1175659831 /nfs/dbraw/zinc/65/98/31/1175659831.db2.gz WJDAPRICCFBJHC-AYMMMOKOSA-N -1 1 275.316 1.025 20 0 CDADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001603865621 1175659900 /nfs/dbraw/zinc/65/99/00/1175659900.db2.gz VGNVDYDBNDYIJO-SASUGWTJSA-N -1 1 299.334 1.597 20 0 CDADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001603865621 1175659906 /nfs/dbraw/zinc/65/99/06/1175659906.db2.gz VGNVDYDBNDYIJO-SASUGWTJSA-N -1 1 299.334 1.597 20 0 CDADMM C[C@H]1CCC[C@H](CC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC001603884730 1175670144 /nfs/dbraw/zinc/67/01/44/1175670144.db2.gz SZUNPKNUMMFIKR-IUCAKERBSA-N -1 1 289.343 1.502 20 0 CDADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC(C)(C)C1 ZINC001603940912 1175692150 /nfs/dbraw/zinc/69/21/50/1175692150.db2.gz LAMAZMKUCNDHRS-VIFPVBQESA-N -1 1 273.344 1.529 20 0 CDADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC(C)(C)C1 ZINC001603940912 1175692154 /nfs/dbraw/zinc/69/21/54/1175692154.db2.gz LAMAZMKUCNDHRS-VIFPVBQESA-N -1 1 273.344 1.529 20 0 CDADMM C[C@H]1CSCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001603947696 1175695613 /nfs/dbraw/zinc/69/56/13/1175695613.db2.gz LNUVXXFNRNUVEI-SECBINFHSA-N -1 1 276.369 1.451 20 0 CDADMM C[C@H]1CSCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001603947696 1175695616 /nfs/dbraw/zinc/69/56/16/1175695616.db2.gz LNUVXXFNRNUVEI-SECBINFHSA-N -1 1 276.369 1.451 20 0 CDADMM CC[C@@H](CNc1cc(C)cc(-c2nnn[n-]2)n1)OC ZINC001604037833 1175730458 /nfs/dbraw/zinc/73/04/58/1175730458.db2.gz 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/nfs/dbraw/zinc/28/27/86/279282786.db2.gz HVGVPOBMPKSXQL-AWEZNQCLSA-N -1 1 279.336 1.413 20 0 CDADMM CCC(CC)(NCc1ccc(-c2nnn[n-]2)o1)C(=O)OC ZINC001590427561 1173405993 /nfs/dbraw/zinc/40/59/93/1173405993.db2.gz AEIFZXFNXHHIIM-UHFFFAOYSA-N -1 1 293.327 1.281 20 0 CDADMM CCC(CC)(NCc1ccc(-c2nn[n-]n2)o1)C(=O)OC ZINC001590427561 1173406003 /nfs/dbraw/zinc/40/60/03/1173406003.db2.gz AEIFZXFNXHHIIM-UHFFFAOYSA-N -1 1 293.327 1.281 20 0 CDADMM COc1ccc(-c2nc(-c3cnccn3)no2)c([O-])c1 ZINC000109037457 279310982 /nfs/dbraw/zinc/31/09/82/279310982.db2.gz MYVIOOFKIPLCAA-UHFFFAOYSA-N -1 1 270.248 1.908 20 0 CDADMM CN(C[C@H]1CCCC[C@H]1O)C(=O)c1cccc2nn[nH]c21 ZINC000119134611 279356786 /nfs/dbraw/zinc/35/67/86/279356786.db2.gz ACNDCYTYCFNGAD-ZWNOBZJWSA-N -1 1 288.351 1.581 20 0 CDADMM Cc1ccccc1C(C)(C)CNC(=O)c1cnn[nH]1 ZINC000194931558 280063099 /nfs/dbraw/zinc/06/30/99/280063099.db2.gz JKBPXSZOMXEAAV-UHFFFAOYSA-N -1 1 258.325 1.821 20 0 CDADMM C[C@@H]1c2ccsc2CC[N@@H+]1C[C@@](C)(O)C(=O)[O-] ZINC000227069507 280103046 /nfs/dbraw/zinc/10/30/46/280103046.db2.gz SWROGPRFZXTBCJ-PRHODGIISA-N -1 1 255.339 1.503 20 0 CDADMM O=C(NCc1cccnn1)c1ccc(Cl)cc1[O-] ZINC000236565129 280128961 /nfs/dbraw/zinc/12/89/61/280128961.db2.gz HBPXRKIVRBKGQO-UHFFFAOYSA-N -1 1 263.684 1.766 20 0 CDADMM C[C@](NC(=O)c1cc(F)cc2nc[nH]c21)(C(=O)[O-])C1CC1 ZINC000237453115 280175991 /nfs/dbraw/zinc/17/59/91/280175991.db2.gz HXIGOAYSZBTFJO-CQSZACIVSA-N -1 1 291.282 1.685 20 0 CDADMM CCC[C@H](NC(=O)C[C@H]1CC[C@@H](C)C1)c1nn[n-]n1 ZINC000247786736 280346905 /nfs/dbraw/zinc/34/69/05/280346905.db2.gz YMRAPRVWOQZSAC-VWYCJHECSA-N -1 1 265.361 1.983 20 0 CDADMM CC[C@@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001590449531 1173413410 /nfs/dbraw/zinc/41/34/10/1173413410.db2.gz VQDLJXJOTSOKDM-BYPYZUCNSA-N -1 1 274.737 1.159 20 0 CDADMM CC[C@H](O)CCC[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000398573225 280717947 /nfs/dbraw/zinc/71/79/47/280717947.db2.gz WYUAPLQELDUETM-JTQLQIEISA-N -1 1 293.335 1.794 20 0 CDADMM C[C@H](CN(C)C(=O)[C@H]1[C@H](C2CC2)[C@@H]1C)c1nn[n-]n1 ZINC000529022780 281313162 /nfs/dbraw/zinc/31/31/62/281313162.db2.gz UEENFLKEBDKCIT-YKDSUIRESA-N -1 1 263.345 1.054 20 0 CDADMM CCOC[C@@H]1CN(C(=O)c2ccc([O-])c(F)c2)CCO1 ZINC000529893222 281392448 /nfs/dbraw/zinc/39/24/48/281392448.db2.gz LTUHYOGUZKRFHA-NSHDSACASA-N -1 1 283.299 1.409 20 0 CDADMM CC(C)C[C@H](C(N)=O)C(=O)Nc1cccc(F)c1[O-] ZINC000530004276 281412739 /nfs/dbraw/zinc/41/27/39/281412739.db2.gz JDHNQFPXLXUIIA-MRVPVSSYSA-N -1 1 268.288 1.617 20 0 CDADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1OC[C@H]2COCC[C@@H]21 ZINC000530006874 281415180 /nfs/dbraw/zinc/41/51/80/281415180.db2.gz WCBLUALHUGIFSY-VYUIOLGVSA-N -1 1 281.283 1.521 20 0 CDADMM CCC1(CNC(=O)c2ccsc2-c2nn[n-]n2)CC1 ZINC001590495874 1173434164 /nfs/dbraw/zinc/43/41/64/1173434164.db2.gz JVJRZDPVEDOQFF-UHFFFAOYSA-N -1 1 277.353 1.848 20 0 CDADMM Cc1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(O)c1 ZINC000095322421 289062634 /nfs/dbraw/zinc/06/26/34/289062634.db2.gz GHCUNLVUNLANRV-SNVBAGLBSA-N -1 1 287.323 1.234 20 0 CDADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1C[C@@H]2CCC[C@H]2C1 ZINC000150825176 289073448 /nfs/dbraw/zinc/07/34/48/289073448.db2.gz UVZROHARVMZUCD-QWRGUYRKSA-N -1 1 283.331 1.795 20 0 CDADMM CCC[C@H](NC(=O)C=Cc1cccnc1)c1nn[n-]n1 ZINC000255020910 289350800 /nfs/dbraw/zinc/35/08/00/289350800.db2.gz LHOREDAJQQBVOV-ZADCQDASSA-N -1 1 272.312 1.266 20 0 CDADMM CC(C)Oc1ccc(C=CC(=O)Nc2nnn[n-]2)cc1 ZINC000255696540 289383460 /nfs/dbraw/zinc/38/34/60/289383460.db2.gz KKKDQDJMOWENJZ-YVMONPNESA-N -1 1 273.296 1.639 20 0 CDADMM CC(C)Oc1ccc(C=CC(=O)Nc2nn[n-]n2)cc1 ZINC000255696540 289383463 /nfs/dbraw/zinc/38/34/63/289383463.db2.gz KKKDQDJMOWENJZ-YVMONPNESA-N -1 1 273.296 1.639 20 0 CDADMM O=S(=O)([N-]c1cnc[nH]1)c1ccc2c(c1)CCCO2 ZINC000556177213 290257034 /nfs/dbraw/zinc/25/70/34/290257034.db2.gz LGPMLNVWZKCWJK-UHFFFAOYSA-N -1 1 279.321 1.536 20 0 CDADMM COC(=O)c1ccc(F)c(CN(C)CCC(=O)[O-])c1 ZINC000563218157 293315904 /nfs/dbraw/zinc/31/59/04/293315904.db2.gz WZDABZYJOXSPCK-UHFFFAOYSA-N -1 1 269.272 1.519 20 0 CDADMM COc1ccccc1CCCN1CCO[C@@H](C(=O)[O-])C1 ZINC000563281612 293332655 /nfs/dbraw/zinc/33/26/55/293332655.db2.gz AMSNECZGIXTBAB-CQSZACIVSA-N -1 1 279.336 1.413 20 0 CDADMM Cc1cnc(SC[C@@H]2CCCNC2=O)[n-]c1=O ZINC000565241768 293576211 /nfs/dbraw/zinc/57/62/11/293576211.db2.gz IUVIIHZENPBDNE-QMMMGPOBSA-N -1 1 253.327 1.109 20 0 CDADMM COC(=O)[C@H](CNC(=O)c1cc(F)ccc1[O-])CC1CC1 ZINC000565603065 293645707 /nfs/dbraw/zinc/64/57/07/293645707.db2.gz POPOPBRJIVMVBQ-JTQLQIEISA-N -1 1 295.310 1.850 20 0 CDADMM CC[C@@H]1CN(C)CCN1C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000568477857 294041636 /nfs/dbraw/zinc/04/16/36/294041636.db2.gz BZDWQTZTTXJKNL-GFCCVEGCSA-N -1 1 289.383 1.334 20 0 CDADMM CC(C)(C)CC[C@@H](NC(=O)c1coc(CN)c1)C(=O)[O-] ZINC000572369053 294610245 /nfs/dbraw/zinc/61/02/45/294610245.db2.gz RLLDRZZYGMZPHM-LLVKDONJSA-N -1 1 282.340 1.748 20 0 CDADMM CCOCCCCNc1ccc(C)nc1-c1nnn[n-]1 ZINC001590810625 1173515139 /nfs/dbraw/zinc/51/51/39/1173515139.db2.gz LENLATXMTNXSCD-UHFFFAOYSA-N -1 1 276.344 1.799 20 0 CDADMM CCOCCCCNc1ccc(C)nc1-c1nn[n-]n1 ZINC001590810625 1173515142 /nfs/dbraw/zinc/51/51/42/1173515142.db2.gz LENLATXMTNXSCD-UHFFFAOYSA-N -1 1 276.344 1.799 20 0 CDADMM Cc1cc(=NC(=O)N[C@H]2CCCc3cn[nH]c32)[n-]nc1C ZINC000361510036 301054802 /nfs/dbraw/zinc/05/48/02/301054802.db2.gz FWBXTRDKHYTCPU-NSHDSACASA-N -1 1 286.339 1.438 20 0 CDADMM CCc1nc(N[C@@]2(C)CC2(C)C)cc(-c2nnn[n-]2)n1 ZINC001590915752 1173540545 /nfs/dbraw/zinc/54/05/45/1173540545.db2.gz HIUJLGATVXIIHT-ZDUSSCGKSA-N -1 1 273.344 1.820 20 0 CDADMM CCc1nc(N[C@@]2(C)CC2(C)C)cc(-c2nn[n-]n2)n1 ZINC001590915752 1173540549 /nfs/dbraw/zinc/54/05/49/1173540549.db2.gz HIUJLGATVXIIHT-ZDUSSCGKSA-N -1 1 273.344 1.820 20 0 CDADMM CCc1nc(CNc2ccnc(-c3nnn[n-]3)c2)cs1 ZINC001590913889 1173541452 /nfs/dbraw/zinc/54/14/52/1173541452.db2.gz NIAHZOWOPQZDCR-UHFFFAOYSA-N -1 1 287.352 1.315 20 0 CDADMM CCc1nc(CNc2ccnc(-c3nn[n-]n3)c2)cs1 ZINC001590913889 1173541455 /nfs/dbraw/zinc/54/14/55/1173541455.db2.gz NIAHZOWOPQZDCR-UHFFFAOYSA-N -1 1 287.352 1.315 20 0 CDADMM CCc1nc(N[C@H](C)CC(C)(C)O)cc(-c2nnn[n-]2)n1 ZINC001590914719 1173542105 /nfs/dbraw/zinc/54/21/05/1173542105.db2.gz FQDOPTGWZVUWTA-MRVPVSSYSA-N -1 1 291.359 1.181 20 0 CDADMM CCc1nc(N[C@H](C)CC(C)(C)O)cc(-c2nn[n-]n2)n1 ZINC001590914719 1173542111 /nfs/dbraw/zinc/54/21/11/1173542111.db2.gz FQDOPTGWZVUWTA-MRVPVSSYSA-N -1 1 291.359 1.181 20 0 CDADMM CCn1cc(OC(=O)c2sccc2-c2nn[n-]n2)cn1 ZINC001590954908 1173551310 /nfs/dbraw/zinc/55/13/10/1173551310.db2.gz GQMGUYVNKSVRIK-UHFFFAOYSA-N -1 1 290.308 1.364 20 0 CDADMM Cn1ncc(CN2CCCC[C@H]2C(=O)[O-])c1C(F)(F)F ZINC000158351446 303048511 /nfs/dbraw/zinc/04/85/11/303048511.db2.gz PJQHDKVLKYHVBR-VIFPVBQESA-N -1 1 291.273 1.878 20 0 CDADMM CO[C@H](C)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591325125 1173612999 /nfs/dbraw/zinc/61/29/99/1173612999.db2.gz VWERGBNBNVMNLU-NKWVEPMBSA-N -1 1 281.341 1.081 20 0 CDADMM CO[C@H](C)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591325125 1173613004 /nfs/dbraw/zinc/61/30/04/1173613004.db2.gz VWERGBNBNVMNLU-NKWVEPMBSA-N -1 1 281.341 1.081 20 0 CDADMM COCCCN(C)c1cc(C)cc(-c2nnn[n-]2)n1 ZINC001591414350 1173649045 /nfs/dbraw/zinc/64/90/45/1173649045.db2.gz MFCLIIAWLUDTEJ-UHFFFAOYSA-N -1 1 262.317 1.043 20 0 CDADMM COCCCN(C)c1cc(C)cc(-c2nn[n-]n2)n1 ZINC001591414350 1173649047 /nfs/dbraw/zinc/64/90/47/1173649047.db2.gz MFCLIIAWLUDTEJ-UHFFFAOYSA-N -1 1 262.317 1.043 20 0 CDADMM COCCCCCNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591411762 1173650286 /nfs/dbraw/zinc/65/02/86/1173650286.db2.gz VRTNLUAQCLZFID-UHFFFAOYSA-N -1 1 279.300 1.006 20 0 CDADMM COCCCCCNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591411762 1173650290 /nfs/dbraw/zinc/65/02/90/1173650290.db2.gz VRTNLUAQCLZFID-UHFFFAOYSA-N -1 1 279.300 1.006 20 0 CDADMM CSC[C@H]1CCCN1c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591697847 1173686682 /nfs/dbraw/zinc/68/66/82/1173686682.db2.gz YBZOVZFKIQZQCB-SECBINFHSA-N -1 1 291.384 1.297 20 0 CDADMM CSC[C@H]1CCCN1c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591697847 1173686687 /nfs/dbraw/zinc/68/66/87/1173686687.db2.gz YBZOVZFKIQZQCB-SECBINFHSA-N -1 1 291.384 1.297 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C)C[C@@H]2C)n1 ZINC001591884423 1173738263 /nfs/dbraw/zinc/73/82/63/1173738263.db2.gz ZNHBRNZYSBVGEP-APPZFPTMSA-N -1 1 259.317 1.200 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](C)C[C@@H]2C)n1 ZINC001591884423 1173738268 /nfs/dbraw/zinc/73/82/68/1173738268.db2.gz ZNHBRNZYSBVGEP-APPZFPTMSA-N -1 1 259.317 1.200 20 0 CDADMM CN(CC(=O)N1CCC(C(=O)[O-])CC1)CC1=CCCCC1 ZINC000563817123 316376941 /nfs/dbraw/zinc/37/69/41/316376941.db2.gz ZXHQWMRLACGLKY-UHFFFAOYSA-N -1 1 294.395 1.742 20 0 CDADMM C[C@H]1CCN(C(=O)c2cccc3n[nH]cc32)C[C@@H]1C(=O)[O-] ZINC000576346192 317122617 /nfs/dbraw/zinc/12/26/17/317122617.db2.gz GKJBDZBYALCPCA-CABZTGNLSA-N -1 1 287.319 1.746 20 0 CDADMM CC[C@H](NC(=O)c1csc(=NC2CC2)[n-]1)[C@@H](C)O ZINC000577582549 317358321 /nfs/dbraw/zinc/35/83/21/317358321.db2.gz LMCFRSKMFIPYNQ-APPZFPTMSA-N -1 1 269.370 1.029 20 0 CDADMM Cc1cnc(SCCc2ccnn2C)[n-]c1=O ZINC000578248612 317503168 /nfs/dbraw/zinc/50/31/68/317503168.db2.gz MKSYVSXKFOJZKX-UHFFFAOYSA-N -1 1 250.327 1.559 20 0 CDADMM Cc1cc(NC[C@H]2C=CCC2)nc(-c2nn[n-]n2)c1 ZINC001592043784 1173783906 /nfs/dbraw/zinc/78/39/06/1173783906.db2.gz KTBKGZGFIUUXLX-JTQLQIEISA-N -1 1 256.313 1.948 20 0 CDADMM Cc1ccc(CCNc2cccnc2-c2nnn[n-]2)o1 ZINC001592151196 1173811863 /nfs/dbraw/zinc/81/18/63/1173811863.db2.gz HTCVDQYZEPEBPR-UHFFFAOYSA-N -1 1 270.296 1.818 20 0 CDADMM Cc1ccc(CCNc2cccnc2-c2nn[n-]n2)o1 ZINC001592151196 1173811869 /nfs/dbraw/zinc/81/18/69/1173811869.db2.gz HTCVDQYZEPEBPR-UHFFFAOYSA-N -1 1 270.296 1.818 20 0 CDADMM Cc1ccc(NCCC(C)(C)O)nc1-c1nnn[n-]1 ZINC001592182973 1173824769 /nfs/dbraw/zinc/82/47/69/1173824769.db2.gz HVEXTQVSVRJCHI-UHFFFAOYSA-N -1 1 262.317 1.143 20 0 CDADMM Cc1ccc(NCCC(C)(C)O)nc1-c1nn[n-]n1 ZINC001592182973 1173824775 /nfs/dbraw/zinc/82/47/75/1173824775.db2.gz HVEXTQVSVRJCHI-UHFFFAOYSA-N -1 1 262.317 1.143 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](C)[C@@H]2C)n1 ZINC001592341370 1173862294 /nfs/dbraw/zinc/86/22/94/1173862294.db2.gz RFVLJNQEOSQUHR-BDAKNGLRSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](C)[C@@H]2C)n1 ZINC001592341370 1173862297 /nfs/dbraw/zinc/86/22/97/1173862297.db2.gz RFVLJNQEOSQUHR-BDAKNGLRSA-N -1 1 273.344 1.590 20 0 CDADMM C[C@H]1CC[N@H+](CCNC(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000579917864 324312776 /nfs/dbraw/zinc/31/27/76/324312776.db2.gz CIJLRNHWUODXSW-JTQLQIEISA-N -1 1 294.424 1.211 20 0 CDADMM Cc1nnc(CNc2nc(-c3nn[n-]n3)c(Cl)s2)o1 ZINC001592443092 1173892201 /nfs/dbraw/zinc/89/22/01/1173892201.db2.gz SPSXQNFSZSJCKP-UHFFFAOYSA-N -1 1 298.719 1.280 20 0 CDADMM COc1cc(C)c(S(=O)(=O)[N-]c2cnc[nH]2)c(C)c1 ZINC000583236245 325133668 /nfs/dbraw/zinc/13/36/68/325133668.db2.gz RVIPTWOHQHCHTI-UHFFFAOYSA-N -1 1 281.337 1.836 20 0 CDADMM CCC(CC)(CNC(=O)c1[nH]nc2c1CCC2)C(=O)[O-] ZINC000583435215 325173421 /nfs/dbraw/zinc/17/34/21/325173421.db2.gz YPJLSMUSVZZWIN-UHFFFAOYSA-N -1 1 279.340 1.519 20 0 CDADMM COc1nccnc1CN1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000583934636 325270406 /nfs/dbraw/zinc/27/04/06/325270406.db2.gz PDKBATYOBFLEIF-VHSXEESVSA-N -1 1 265.313 1.028 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)[C@@H](C)C1CC1 ZINC001592495672 1173904678 /nfs/dbraw/zinc/90/46/78/1173904678.db2.gz OQCGSYTWNRZHTK-ZETCQYMHSA-N -1 1 275.312 1.639 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)[C@@H](C)C1CC1 ZINC001592495672 1173904681 /nfs/dbraw/zinc/90/46/81/1173904681.db2.gz OQCGSYTWNRZHTK-ZETCQYMHSA-N -1 1 275.312 1.639 20 0 CDADMM Cn1nncc1CN[C@@H](CC(=O)[O-])c1cccs1 ZINC000163318114 1159494287 /nfs/dbraw/zinc/49/42/87/1159494287.db2.gz SQCSAURHZDFDGZ-VIFPVBQESA-N -1 1 266.326 1.182 20 0 CDADMM CC(C)=C(C)CC(=O)N(C)C[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001755598893 1160285020 /nfs/dbraw/zinc/28/50/20/1160285020.db2.gz BQKGSUNXVWUAML-LLVKDONJSA-N -1 1 295.387 1.193 20 0 CDADMM CCN(CC(=O)N(C)C)C(=O)c1cc(Cl)ccc1[O-] ZINC000048416558 482460614 /nfs/dbraw/zinc/46/06/14/482460614.db2.gz SUZXRYNZAHIXGK-UHFFFAOYSA-N -1 1 284.743 1.596 20 0 CDADMM Cc1nnccc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000677083239 482527111 /nfs/dbraw/zinc/52/71/11/482527111.db2.gz PKFHTICKHRSZAM-UHFFFAOYSA-N -1 1 272.190 1.174 20 0 CDADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H](CO)CC1 ZINC000294051940 482592215 /nfs/dbraw/zinc/59/22/15/482592215.db2.gz AHPOTRBDAAFYNC-SNVBAGLBSA-N -1 1 267.300 1.766 20 0 CDADMM O=C(Nc1ccc(-n2cncn2)nc1)c1ccc([O-])c(F)c1 ZINC000681016811 482656944 /nfs/dbraw/zinc/65/69/44/482656944.db2.gz IRBNRHPUDMLRDK-UHFFFAOYSA-N -1 1 299.265 1.759 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc([O-])c(F)c2)C[C@]2(CCOC2)O1 ZINC000684524374 482865333 /nfs/dbraw/zinc/86/53/33/482865333.db2.gz CQICASSAQLAZRI-BONVTDFDSA-N -1 1 295.310 1.551 20 0 CDADMM O=C(N[C@@H]1CCO[C@H]1C1CC1)C(=O)c1ccc([O-])cc1 ZINC000673041486 482893314 /nfs/dbraw/zinc/89/33/14/482893314.db2.gz YUTFGTZIEYCJSR-OCCSQVGLSA-N -1 1 275.304 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[O-]c1ccc(-c2noc(C3(O)CCOCC3)n2)c(F)c1 ZINC000771212298 575558475 /nfs/dbraw/zinc/55/84/75/575558475.db2.gz RXBVVPVWODLMQE-UHFFFAOYSA-N -1 1 280.255 1.579 20 0 CDADMM C[C@H]1C[C@H]1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736237393 575599424 /nfs/dbraw/zinc/59/94/24/575599424.db2.gz OCGTZWZSTOYNRI-CBAPKCEASA-N -1 1 259.269 1.075 20 0 CDADMM C[C@H]1C[C@H]1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736237393 575599427 /nfs/dbraw/zinc/59/94/27/575599427.db2.gz OCGTZWZSTOYNRI-CBAPKCEASA-N -1 1 259.269 1.075 20 0 CDADMM CCC(=O)COC(=O)c1sccc1-c1nn[n-]n1 ZINC000736303100 575615931 /nfs/dbraw/zinc/61/59/31/575615931.db2.gz HXEBPCAHWKIDDJ-UHFFFAOYSA-N -1 1 266.282 1.064 20 0 CDADMM CC(C)(NCC(=O)NCC1(c2ccccc2)CC1)C(=O)[O-] ZINC000736339543 575628548 /nfs/dbraw/zinc/62/85/48/575628548.db2.gz SBBXPXNCGASDEF-UHFFFAOYSA-N -1 1 290.363 1.287 20 0 CDADMM CC(C)C[C@H]1NC(=O)N(CN(CCC(=O)[O-])C(C)C)C1=O ZINC000736429483 575659108 /nfs/dbraw/zinc/65/91/08/575659108.db2.gz YEADVVHLPUMMLM-LLVKDONJSA-N -1 1 299.371 1.096 20 0 CDADMM CC(C)CN1CCN(C(=O)[C@@H](NC(=O)[O-])C(C)C)CC1 ZINC000736442475 575663205 /nfs/dbraw/zinc/66/32/05/575663205.db2.gz FNHNVNRPFRXHCE-LBPRGKRZSA-N -1 1 285.388 1.079 20 0 CDADMM COC(=O)c1cc(C(=O)[N-]c2cccc(OC)c2F)on1 ZINC000771523544 575670028 /nfs/dbraw/zinc/67/00/28/575670028.db2.gz POBXAXAXSJTROF-UHFFFAOYSA-N -1 1 294.238 1.861 20 0 CDADMM C[C@@H](CN(C)[C@@H](C(=O)N(C)C)c1ccccc1)C(=O)[O-] ZINC000736575766 575695256 /nfs/dbraw/zinc/69/52/56/575695256.db2.gz QNTJFKOPEPSZSU-WCQYABFASA-N -1 1 278.352 1.468 20 0 CDADMM CCc1nn(C/C=C/Cl)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705501 575725964 /nfs/dbraw/zinc/72/59/64/575725964.db2.gz JOPYQMHFYQKUAN-AATRIKPKSA-N -1 1 294.746 1.301 20 0 CDADMM C[C@H]1C[C@H](c2ccccc2)CN1Cn1cc(C(=O)[O-])nn1 ZINC000736758591 575735178 /nfs/dbraw/zinc/73/51/78/575735178.db2.gz DXPZLDDOPHVIOH-AAEUAGOBSA-N -1 1 286.335 1.812 20 0 CDADMM CCC[C@@H](C)N1C[C@H](C(=O)[N-]OCCOCC)CC1=O ZINC000772699236 575738062 /nfs/dbraw/zinc/73/80/62/575738062.db2.gz JQNZHVNBBWSPND-VXGBXAGGSA-N -1 1 286.372 1.108 20 0 CDADMM C[C@@H]1CCCN1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736790184 575745695 /nfs/dbraw/zinc/74/56/95/575745695.db2.gz AVAZXKYYNIKEAH-SNVBAGLBSA-N -1 1 262.309 1.808 20 0 CDADMM CCC[C@](C)(NCC(=O)N(C)c1nccs1)C(=O)[O-] ZINC000736960693 575777768 /nfs/dbraw/zinc/77/77/68/575777768.db2.gz ONJYSNBPPKHZAE-LBPRGKRZSA-N -1 1 285.369 1.339 20 0 CDADMM O=C(CC1=CCCCC1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773159761 575787048 /nfs/dbraw/zinc/78/70/48/575787048.db2.gz MNCAPROWTXOGNF-LLVKDONJSA-N -1 1 293.396 1.707 20 0 CDADMM CCCN(C)CC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000737007356 575791873 /nfs/dbraw/zinc/79/18/73/575791873.db2.gz FMWZNLSAZYMPFO-UHFFFAOYSA-N -1 1 264.325 1.594 20 0 CDADMM COc1cc(CNc2nccnc2-c2nnn[n-]2)ccc1C ZINC000737047348 575802936 /nfs/dbraw/zinc/80/29/36/575802936.db2.gz MMPYKRANYSBQPJ-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1cc(CNc2nccnc2-c2nn[n-]n2)ccc1C ZINC000737047348 575802938 /nfs/dbraw/zinc/80/29/38/575802938.db2.gz MMPYKRANYSBQPJ-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM Cc1noc(C2CC2)c1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000774003670 575848077 /nfs/dbraw/zinc/84/80/77/575848077.db2.gz YGJFXMLTXQVFJP-ZETCQYMHSA-N -1 1 290.327 1.249 20 0 CDADMM CSCC[C@@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000737181060 575897302 /nfs/dbraw/zinc/89/73/02/575897302.db2.gz KBZNSCPCVFLFRE-MRVPVSSYSA-N -1 1 264.358 1.815 20 0 CDADMM CSCC[C@@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000737181060 575897304 /nfs/dbraw/zinc/89/73/04/575897304.db2.gz KBZNSCPCVFLFRE-MRVPVSSYSA-N -1 1 264.358 1.815 20 0 CDADMM Cc1ccc([C@H](O)CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000737318105 575939293 /nfs/dbraw/zinc/93/92/93/575939293.db2.gz BFDUKSVFHOBQMC-CYBMUJFWSA-N -1 1 296.334 1.716 20 0 CDADMM Cc1ccc([C@H](O)CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000737318105 575939297 /nfs/dbraw/zinc/93/92/97/575939297.db2.gz BFDUKSVFHOBQMC-CYBMUJFWSA-N -1 1 296.334 1.716 20 0 CDADMM CN(C)C(=O)[C@H]1CCCN1Cc1ccc(F)cc1C(=O)[O-] ZINC000737349264 575945252 /nfs/dbraw/zinc/94/52/52/575945252.db2.gz YPCWFJNNMLRDBR-CYBMUJFWSA-N -1 1 294.326 1.577 20 0 CDADMM ClC1(Cl)C[C@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC000737564618 575992797 /nfs/dbraw/zinc/99/27/97/575992797.db2.gz ROHDAGQJLMJDHA-LURJTMIESA-N -1 1 285.138 1.867 20 0 CDADMM ClC1(Cl)C[C@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC000737564618 575992798 /nfs/dbraw/zinc/99/27/98/575992798.db2.gz ROHDAGQJLMJDHA-LURJTMIESA-N -1 1 285.138 1.867 20 0 CDADMM Cc1ccc(C(C)(C)C(=O)OCc2nc(=O)n(C)[n-]2)cc1 ZINC000765462340 576026464 /nfs/dbraw/zinc/02/64/64/576026464.db2.gz ARRJYBANPRRFAB-UHFFFAOYSA-N -1 1 289.335 1.438 20 0 CDADMM Cn1[n-]c(COC(=O)c2cc3cccc(F)c3o2)nc1=O ZINC000765478824 576028256 /nfs/dbraw/zinc/02/82/56/576028256.db2.gz GKHURPJQXVNJBU-UHFFFAOYSA-N -1 1 291.238 1.351 20 0 CDADMM Cn1[n-]c(COC(=O)/C=C/C2CCCCC2)nc1=O ZINC000765478936 576028453 /nfs/dbraw/zinc/02/84/53/576028453.db2.gz JTTJOGOHIARRLB-BQYQJAHWSA-N -1 1 265.313 1.288 20 0 CDADMM O=C(COC(=O)c1sccc1-c1nn[n-]n1)C1CC1 ZINC000738218511 576049634 /nfs/dbraw/zinc/04/96/34/576049634.db2.gz HGPFSPRNJZQHAU-UHFFFAOYSA-N -1 1 278.293 1.064 20 0 CDADMM Cc1cc(C)n(C[C@@H]2CN(CCCC(=O)[O-])CCO2)n1 ZINC000738228133 576050595 /nfs/dbraw/zinc/05/05/95/576050595.db2.gz WLMISNDUMLWQKS-ZDUSSCGKSA-N -1 1 281.356 1.066 20 0 CDADMM O=C([O-])CC1CCN(CC[S@@](=O)c2ccccc2)CC1 ZINC000738564340 576089028 /nfs/dbraw/zinc/08/90/28/576089028.db2.gz RTZGJUBZVKDNPL-HXUWFJFHSA-N -1 1 295.404 1.981 20 0 CDADMM Cc1cccnc1[C@@H](NCC(=O)NCCC(=O)[O-])C(C)C ZINC000738785018 576113663 /nfs/dbraw/zinc/11/36/63/576113663.db2.gz FPMMFFNABJYBAW-AWEZNQCLSA-N -1 1 293.367 1.268 20 0 CDADMM Cc1n[nH]c(C)c1NC(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000738823542 576119828 /nfs/dbraw/zinc/11/98/28/576119828.db2.gz MMIWRKZJTCIRLP-UHFFFAOYSA-N -1 1 294.355 1.342 20 0 CDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCCCF ZINC000767338324 576180768 /nfs/dbraw/zinc/18/07/68/576180768.db2.gz WIDVPIXWUIDSSH-UHFFFAOYSA-N -1 1 281.287 1.497 20 0 CDADMM O=C([O-])[C@H]1CCCN(CN2CCSC2=S)C1 ZINC000739582011 576260561 /nfs/dbraw/zinc/26/05/61/576260561.db2.gz CDRADEIHZNPFND-QMMMGPOBSA-N -1 1 260.384 1.074 20 0 CDADMM O=C([O-])CSCC(=O)Nc1cccc(Cl)c1O ZINC000740487373 576477957 /nfs/dbraw/zinc/47/79/57/576477957.db2.gz LNVZZCRPEDUEAI-UHFFFAOYSA-N -1 1 275.713 1.802 20 0 CDADMM O=Cc1ccc(OC(F)(F)C(=O)[N-]Cc2ccon2)cc1 ZINC000747431608 576869591 /nfs/dbraw/zinc/86/95/91/576869591.db2.gz FRQBVHOARYXMKH-UHFFFAOYSA-N -1 1 296.229 1.775 20 0 CDADMM C/C(=C/C(=O)N1CCC[C@H](c2nn[n-]n2)C1)C1CC1 ZINC000754372842 576893547 /nfs/dbraw/zinc/89/35/47/576893547.db2.gz QDRFIOJBPPPKAH-DVBBHNHCSA-N -1 1 261.329 1.262 20 0 CDADMM Cc1nnsc1C(=O)[N-]c1n[nH]c(-c2cccs2)n1 ZINC000754647088 576906980 /nfs/dbraw/zinc/90/69/80/576906980.db2.gz VLXSEDFHODPPSK-UHFFFAOYSA-N -1 1 292.349 1.945 20 0 CDADMM O=C([O-])CC[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC001601976829 1175094275 /nfs/dbraw/zinc/09/42/75/1175094275.db2.gz ZBLTVUGUELGSFJ-LLVKDONJSA-N -1 1 292.335 1.857 20 0 CDADMM O=C([O-])CCCONC(=O)c1c[nH]nc1-c1ccoc1 ZINC001601994363 1175103565 /nfs/dbraw/zinc/10/35/65/1175103565.db2.gz DZQTVDZQVNGKLT-UHFFFAOYSA-N -1 1 279.252 1.196 20 0 CDADMM O=C([O-])CN1CCN(C(=O)C2(C3CCCCC3)CC2)CC1 ZINC001602063226 1175123407 /nfs/dbraw/zinc/12/34/07/1175123407.db2.gz LEPQMOCQTLMIDB-UHFFFAOYSA-N -1 1 294.395 1.576 20 0 CDADMM CC(C)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000095150041 598953863 /nfs/dbraw/zinc/95/38/63/598953863.db2.gz IBYIBQULNCIIFE-UHFFFAOYSA-N -1 1 269.312 1.878 20 0 CDADMM CC(C)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000095150041 598953864 /nfs/dbraw/zinc/95/38/64/598953864.db2.gz IBYIBQULNCIIFE-UHFFFAOYSA-N -1 1 269.312 1.878 20 0 CDADMM O=C([O-])[C@@H]1CN(Cc2cnns2)C[C@H]1c1ccccc1 ZINC001602189649 1175155984 /nfs/dbraw/zinc/15/59/84/1175155984.db2.gz GXLPGUVGIGYPTG-QWHCGFSZSA-N -1 1 289.360 1.838 20 0 CDADMM C[C@H](CCO)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000095153368 599099096 /nfs/dbraw/zinc/09/90/96/599099096.db2.gz GHWTYDOBWHDXIK-RXMQYKEDSA-N -1 1 288.764 1.407 20 0 CDADMM C[C@H](CCO)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000095153368 599099099 /nfs/dbraw/zinc/09/90/99/599099099.db2.gz GHWTYDOBWHDXIK-RXMQYKEDSA-N -1 1 288.764 1.407 20 0 CDADMM Cc1cccc2c1N[C@@H](c1ccc(-c3nnn[n-]3)o1)NC2=O ZINC000822341068 599116923 /nfs/dbraw/zinc/11/69/23/599116923.db2.gz TVKAYFQLGRSTID-GFCCVEGCSA-N -1 1 296.290 1.622 20 0 CDADMM Cc1cccc2c1N[C@@H](c1ccc(-c3nn[n-]n3)o1)NC2=O ZINC000822341068 599116926 /nfs/dbraw/zinc/11/69/26/599116926.db2.gz TVKAYFQLGRSTID-GFCCVEGCSA-N -1 1 296.290 1.622 20 0 CDADMM O=C([O-])CC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000169564676 597134195 /nfs/dbraw/zinc/13/41/95/597134195.db2.gz XOBUKTSHHZIEAJ-UHFFFAOYSA-N -1 1 274.114 1.719 20 0 CDADMM O=C([O-])c1ccc(OC[C@H](O)CNCc2ccco2)cc1 ZINC001602388476 1175230822 /nfs/dbraw/zinc/23/08/22/1175230822.db2.gz KPOVPGITGQBZKJ-GFCCVEGCSA-N -1 1 291.303 1.507 20 0 CDADMM Cn1cc(-c2nc(CN3CC[C@H](C(=O)[O-])C3)cs2)cn1 ZINC000819063938 597529949 /nfs/dbraw/zinc/52/99/49/597529949.db2.gz YYYYWLIDAJMQCK-VIFPVBQESA-N -1 1 292.364 1.450 20 0 CDADMM C[C@@H](NCC(=O)NCC(=O)[O-])c1ccc(Cl)cc1 ZINC000820142658 597791743 /nfs/dbraw/zinc/79/17/43/597791743.db2.gz ZTWYDWDXXVBWBB-MRVPVSSYSA-N -1 1 270.716 1.191 20 0 CDADMM C[C@H](C[N@@H+](CC(=O)[O-])Cc1ccccc1)C(=O)[O-] ZINC000071736181 600228121 /nfs/dbraw/zinc/22/81/21/600228121.db2.gz QSNBKHLNZBCXRC-SNVBAGLBSA-N -1 1 251.282 1.294 20 0 CDADMM O=C([O-])[C@H]1CN(C[C@@H]2CCOc3ccccc32)CCO1 ZINC000229190032 598122464 /nfs/dbraw/zinc/12/24/64/598122464.db2.gz DWXLHWHUVNNXHO-SMDDNHRTSA-N -1 1 277.320 1.338 20 0 CDADMM O=C([O-])[C@@H]1CCN(Cc2cnc3ccc(Cl)cn23)C1 ZINC000821510766 598130443 /nfs/dbraw/zinc/13/04/43/598130443.db2.gz KPLASDQGFUAADL-SECBINFHSA-N -1 1 279.727 1.894 20 0 CDADMM CC(C)(CO)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000819987691 607331681 /nfs/dbraw/zinc/33/16/81/607331681.db2.gz GTHCMKZHHQSNLY-UHFFFAOYSA-N -1 1 288.764 1.407 20 0 CDADMM CC(C)(CO)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000819987691 607331682 /nfs/dbraw/zinc/33/16/82/607331682.db2.gz GTHCMKZHHQSNLY-UHFFFAOYSA-N -1 1 288.764 1.407 20 0 CDADMM O=C([O-])CCCCNCc1cnn(-c2ccccc2)n1 ZINC000821521516 598166256 /nfs/dbraw/zinc/16/62/56/598166256.db2.gz IBYDNLIPGSWWBR-UHFFFAOYSA-N -1 1 274.324 1.612 20 0 CDADMM CCc1cc(=O)[n-]c(C[NH2+][C@H](C(=O)[O-])[C@@H](C)CC)n1 ZINC000820479889 598188102 /nfs/dbraw/zinc/18/81/02/598188102.db2.gz FXJKBOMBOSNUSR-UFBFGSQYSA-N -1 1 267.329 1.334 20 0 CDADMM O=C([O-])C[C@H]1CCC[N@@H+](CN2CC3(CCCC3)OC2=O)C1 ZINC000821515053 598208450 /nfs/dbraw/zinc/20/84/50/598208450.db2.gz CEQKAGCVTBOTLO-GFCCVEGCSA-N -1 1 296.367 1.896 20 0 CDADMM O=C([O-])C[C@H]1CCCN(CN2CC3(CCCC3)OC2=O)C1 ZINC000821515053 598208451 /nfs/dbraw/zinc/20/84/51/598208451.db2.gz CEQKAGCVTBOTLO-GFCCVEGCSA-N -1 1 296.367 1.896 20 0 CDADMM Cc1nc(CN[C@@H](C)CC(=O)[O-])nc2ccccc12 ZINC000821171079 598215999 /nfs/dbraw/zinc/21/59/99/598215999.db2.gz AKVFIXHLFGYBEM-VIFPVBQESA-N -1 1 259.309 1.891 20 0 CDADMM C[C@H](CC(=O)[O-])N[C@H](C)c1nnc2n1CCCC2 ZINC000820072590 598216337 /nfs/dbraw/zinc/21/63/37/598216337.db2.gz UHCZWKUPBQCRCY-RKDXNWHRSA-N -1 1 252.318 1.128 20 0 CDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)c1cccnc1 ZINC000095230496 598503250 /nfs/dbraw/zinc/50/32/50/598503250.db2.gz ZTABNTDHFDCGRX-QMMMGPOBSA-N -1 1 268.284 1.225 20 0 CDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)c1cccnc1 ZINC000095230496 598503251 /nfs/dbraw/zinc/50/32/51/598503251.db2.gz ZTABNTDHFDCGRX-QMMMGPOBSA-N -1 1 268.284 1.225 20 0 CDADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccccn1 ZINC000095230470 599394246 /nfs/dbraw/zinc/39/42/46/599394246.db2.gz ZMEAODJQLGTDKZ-VIFPVBQESA-N -1 1 267.296 1.830 20 0 CDADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccccn1 ZINC000095230470 599394249 /nfs/dbraw/zinc/39/42/49/599394249.db2.gz ZMEAODJQLGTDKZ-VIFPVBQESA-N -1 1 267.296 1.830 20 0 CDADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccccn1 ZINC000095230471 599394440 /nfs/dbraw/zinc/39/44/40/599394440.db2.gz ZMEAODJQLGTDKZ-SECBINFHSA-N -1 1 267.296 1.830 20 0 CDADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccccn1 ZINC000095230471 599394441 /nfs/dbraw/zinc/39/44/41/599394441.db2.gz ZMEAODJQLGTDKZ-SECBINFHSA-N -1 1 267.296 1.830 20 0 CDADMM C[C@H](CCO)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000095153418 599563548 /nfs/dbraw/zinc/56/35/48/599563548.db2.gz VKRBCCUTXKRKBP-SECBINFHSA-N -1 1 284.323 1.598 20 0 CDADMM C[C@H](CCO)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000095153418 599563550 /nfs/dbraw/zinc/56/35/50/599563550.db2.gz VKRBCCUTXKRKBP-SECBINFHSA-N -1 1 284.323 1.598 20 0 CDADMM CCN(CC(=O)[O-])C(=O)c1n[nH]c(C)c1Br ZINC000737070388 599877114 /nfs/dbraw/zinc/87/71/14/599877114.db2.gz UFFIAGNGTZCDBH-UHFFFAOYSA-N -1 1 290.117 1.027 20 0 CDADMM C[C@H](C(=O)NC1CCCC1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405405772 600291453 /nfs/dbraw/zinc/29/14/53/600291453.db2.gz PYEDUPQWAZCLCE-DGCLKSJQSA-N -1 1 294.395 1.620 20 0 CDADMM CC(C)N(CCC(=O)[O-])CN1C(=O)CC12CCC2 ZINC000826946660 600712690 /nfs/dbraw/zinc/71/26/90/600712690.db2.gz IFZDZBFMHXDNDB-UHFFFAOYSA-N -1 1 254.330 1.284 20 0 CDADMM O=C([O-])c1ccc(OCCN2CCC[C@@H]2CO)c(Cl)c1 ZINC000833321667 600826606 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COC(=O)/C(C)=C\CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000831054126 601157090 /nfs/dbraw/zinc/15/70/90/601157090.db2.gz ZMFFUAGRCRBHAG-FLIBITNWSA-N -1 1 277.320 1.936 20 0 CDADMM COc1ccccc1CN(C/C=C(\C)C(=O)[O-])CCO ZINC000832613775 601163734 /nfs/dbraw/zinc/16/37/34/601163734.db2.gz QFMGESHQWFAOEV-KPKJPENVSA-N -1 1 279.336 1.520 20 0 CDADMM CN(CC(=O)[O-])C(=O)CCN1CC[C@@H]1c1cccc(F)c1 ZINC000830691791 601182822 /nfs/dbraw/zinc/18/28/22/601182822.db2.gz CYSCPGKETYFWQY-CYBMUJFWSA-N -1 1 294.326 1.506 20 0 CDADMM CCN(CCC(=O)[O-])CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000829701779 601399607 /nfs/dbraw/zinc/39/96/07/601399607.db2.gz PGHLNTOYPPMGEL-VXGBXAGGSA-N -1 1 268.357 1.532 20 0 CDADMM O=C([O-])c1cn(CN2C[C@@H]3CCCC[C@H]3C2)nn1 ZINC000833338527 601400900 /nfs/dbraw/zinc/40/09/00/601400900.db2.gz RCHONERQDSGDOO-UWVGGRQHSA-N -1 1 250.302 1.056 20 0 CDADMM O=C([O-])[C@@]1(F)CCN(CCOc2ccccc2)C1 ZINC000833176370 601437390 /nfs/dbraw/zinc/43/73/90/601437390.db2.gz XXNHLNHUHYWYLA-CYBMUJFWSA-N -1 1 253.273 1.564 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607133765 /nfs/dbraw/zinc/13/37/65/607133765.db2.gz SCPIGSINTFAZRK-VIFPVBQESA-N -1 1 287.327 1.170 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@H]2CCOC3(CCC3)C2)n1 ZINC000823809938 607133766 /nfs/dbraw/zinc/13/37/66/607133766.db2.gz SCPIGSINTFAZRK-VIFPVBQESA-N -1 1 287.327 1.170 20 0 CDADMM c1cn2ccc(CNc3cccc(-c4nn[n-]n4)n3)cc2n1 ZINC000826516797 607902357 /nfs/dbraw/zinc/90/23/57/607902357.db2.gz BOAZCLZJWRLEJV-UHFFFAOYSA-N -1 1 292.306 1.522 20 0 CDADMM CCC[C@H](C(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(C)C ZINC000825225095 608157869 /nfs/dbraw/zinc/15/78/69/608157869.db2.gz LHIZEPLSTXZIIW-VIFPVBQESA-N -1 1 291.359 1.611 20 0 CDADMM CCC[C@H](C(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(C)C ZINC000825225095 608157871 /nfs/dbraw/zinc/15/78/71/608157871.db2.gz LHIZEPLSTXZIIW-VIFPVBQESA-N -1 1 291.359 1.611 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@H]2CC23CCCCC3)n1 ZINC000826525019 608194749 /nfs/dbraw/zinc/19/47/49/608194749.db2.gz SHIKWXXDGMEORC-VIFPVBQESA-N -1 1 271.328 1.791 20 0 CDADMM 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CC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000825218027 608597026 /nfs/dbraw/zinc/59/70/26/608597026.db2.gz AQWFCBWBRFTYJF-VIFPVBQESA-N -1 1 263.301 1.071 20 0 CDADMM CCNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825481270 609278524 /nfs/dbraw/zinc/27/85/24/609278524.db2.gz VINYKGCTEGWTDK-UHFFFAOYSA-N -1 1 273.275 1.623 20 0 CDADMM CN(C[C@@H]1CCCC[C@@H]1O)c1cccc(-c2nnn[n-]2)n1 ZINC000825907686 609323788 /nfs/dbraw/zinc/32/37/88/609323788.db2.gz BDOWOUIMBZYBQG-JQWIXIFHSA-N -1 1 288.355 1.249 20 0 CDADMM CN(C[C@@H]1CCCC[C@@H]1O)c1cccc(-c2nn[n-]n2)n1 ZINC000825907686 609323789 /nfs/dbraw/zinc/32/37/89/609323789.db2.gz BDOWOUIMBZYBQG-JQWIXIFHSA-N -1 1 288.355 1.249 20 0 CDADMM C[C@@H]1OCC[C@@]1(C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000825013303 609592232 /nfs/dbraw/zinc/59/22/32/609592232.db2.gz OPMUTAZQRFHWKQ-JVXZTZIISA-N -1 1 294.746 1.895 20 0 CDADMM C[C@@H]1OCC[C@@]1(C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000825013303 609592233 /nfs/dbraw/zinc/59/22/33/609592233.db2.gz OPMUTAZQRFHWKQ-JVXZTZIISA-N -1 1 294.746 1.895 20 0 CDADMM CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ncccc1[O-] ZINC000962945235 613508681 /nfs/dbraw/zinc/50/86/81/613508681.db2.gz MSCGZKKUUDRJJB-NWDGAFQWSA-N -1 1 289.335 1.013 20 0 CDADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC/C=C\Cl ZINC000891205685 617380920 /nfs/dbraw/zinc/38/09/20/617380920.db2.gz JVKDGKPQSKCGPQ-ARJAWSKDSA-N -1 1 273.745 1.695 20 0 CDADMM O=S(=O)([N-][C@H](CCO)C1CC1)c1ccc(C(F)F)o1 ZINC000866860318 617420818 /nfs/dbraw/zinc/42/08/18/617420818.db2.gz WIOHKPGTOXUPLC-MRVPVSSYSA-N -1 1 295.307 1.657 20 0 CDADMM CC(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000945688515 613844591 /nfs/dbraw/zinc/84/45/91/613844591.db2.gz WSZHICXOPIVKKA-PWSUYJOCSA-N -1 1 291.351 1.164 20 0 CDADMM CC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)c1ncccc1[O-] ZINC000962532744 613862461 /nfs/dbraw/zinc/86/24/61/613862461.db2.gz XWDQMTWWZBAGAQ-VXGBXAGGSA-N -1 1 289.335 1.013 20 0 CDADMM CC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000946337555 614122797 /nfs/dbraw/zinc/12/27/97/614122797.db2.gz 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/nfs/dbraw/zinc/51/58/32/617515832.db2.gz IMGOQAODSDPOPV-UWVGGRQHSA-N -1 1 267.329 1.292 20 0 CDADMM COCc1nc(NCc2ccc(N(C)C)nc2)cc(=O)[n-]1 ZINC000891760812 617572826 /nfs/dbraw/zinc/57/28/26/617572826.db2.gz YNMFCRXVMMLFRU-UHFFFAOYSA-N -1 1 289.339 1.402 20 0 CDADMM CCN(CC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)C1CC1 ZINC000909360532 617930448 /nfs/dbraw/zinc/93/04/48/617930448.db2.gz UJOPMKJWAQKVFL-CQSZACIVSA-N -1 1 294.326 1.552 20 0 CDADMM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H]2CC23CCC3)co1 ZINC000893464388 617950734 /nfs/dbraw/zinc/95/07/34/617950734.db2.gz ASHOFLZXDSVMCK-JTQLQIEISA-N -1 1 299.348 1.535 20 0 CDADMM Cc1cccc(Cl)c1CC(=O)N(C)c1nn[n-]n1 ZINC000892954295 617975347 /nfs/dbraw/zinc/97/53/47/617975347.db2.gz ICMDPMYLUXMPTD-UHFFFAOYSA-N -1 1 265.704 1.367 20 0 CDADMM COCc1nc(NC[C@H]2CCOC[C@@H]2C)cc(=O)[n-]1 ZINC000893836896 618069386 /nfs/dbraw/zinc/06/93/86/618069386.db2.gz WCSPOBBKOIKWRP-VHSXEESVSA-N -1 1 267.329 1.413 20 0 CDADMM COCc1nc(NC[C@H]2CCSC2)cc(=O)[n-]1 ZINC000893572931 618144688 /nfs/dbraw/zinc/14/46/88/618144688.db2.gz LGQHFFMANWOOMT-MRVPVSSYSA-N -1 1 255.343 1.494 20 0 CDADMM COCc1nc(N2CCC(C)(OC)CC2)cc(=O)[n-]1 ZINC000893096179 618159972 /nfs/dbraw/zinc/15/99/72/618159972.db2.gz DKAMBZFCXXEVIU-UHFFFAOYSA-N -1 1 267.329 1.334 20 0 CDADMM COC(C)(C)C[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000866883282 618166231 /nfs/dbraw/zinc/16/62/31/618166231.db2.gz OHTWESYJEYFUNG-UHFFFAOYSA-N -1 1 280.296 1.063 20 0 CDADMM Cc1ccoc1CN[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000901830688 618279780 /nfs/dbraw/zinc/27/97/80/618279780.db2.gz DMJBETRCQHMKJK-ZYHUDNBSSA-N -1 1 253.298 1.557 20 0 CDADMM COCc1nc(N2CC[C@H](OC)[C@@H](C)C2)cc(=O)[n-]1 ZINC000894063534 618326846 /nfs/dbraw/zinc/32/68/46/618326846.db2.gz MYPMGDGUGLIOEZ-UWVGGRQHSA-N -1 1 267.329 1.190 20 0 CDADMM COCc1nc(N2CC[C@H](OC)C(C)(C)C2)cc(=O)[n-]1 ZINC000894064755 618329534 /nfs/dbraw/zinc/32/95/34/618329534.db2.gz WQCUEABUPFTWPI-JTQLQIEISA-N -1 1 281.356 1.580 20 0 CDADMM COCc1nc(NC[C@@H]2CCOC(C)(C)C2)cc(=O)[n-]1 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O=c1nc(N[C@@H]2CCO[C@H]2C2CC2)cc(Cl)[n-]1 ZINC000895543861 619722140 /nfs/dbraw/zinc/72/21/40/619722140.db2.gz VVKODPRPJDFXKV-XCBNKYQSSA-N -1 1 255.705 1.815 20 0 CDADMM CCN(CC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-])C1CC1 ZINC000909530259 619921175 /nfs/dbraw/zinc/92/11/75/619921175.db2.gz RTIQWDUDNRFFBW-WFASDCNBSA-N -1 1 282.384 1.620 20 0 CDADMM COc1ccc(-c2nc(CCC[S@](C)=O)no2)c([O-])c1 ZINC000896372234 620076509 /nfs/dbraw/zinc/07/65/09/620076509.db2.gz JXXOZSMERSQXRM-FQEVSTJZSA-N -1 1 296.348 1.762 20 0 CDADMM C[C@]1(O)CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000896838316 620249502 /nfs/dbraw/zinc/24/95/02/620249502.db2.gz OLAZUAUZOFGCMS-INIZCTEOSA-N -1 1 287.315 1.848 20 0 CDADMM C[C@]1(C(=O)[O-])CCCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000909654748 620574671 /nfs/dbraw/zinc/57/46/71/620574671.db2.gz LHVLVVXDFNKZSN-LLVKDONJSA-N -1 1 273.239 1.427 20 0 CDADMM CC(C)(CO)ONC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897951771 621244013 /nfs/dbraw/zinc/24/40/13/621244013.db2.gz XXVBJRMMCSJBFH-UHFFFAOYSA-N -1 1 291.303 1.683 20 0 CDADMM CC(C)(C)OC(=O)c1cc(NC(=O)c2cc[nH]c2)n[nH]1 ZINC000898097881 621334000 /nfs/dbraw/zinc/33/40/00/621334000.db2.gz RMHRBNJYKPOGTO-UHFFFAOYSA-N -1 1 276.296 1.945 20 0 CDADMM C[C@H](NC(=O)c1cncc([O-])c1)c1cc2n(n1)CCCC2 ZINC000898396900 621724515 /nfs/dbraw/zinc/72/45/15/621724515.db2.gz FXKBALVFTFAQPA-JTQLQIEISA-N -1 1 286.335 1.811 20 0 CDADMM O=C(NCCCc1c[nH][nH]c1=O)c1cc(Cl)ccc1[O-] ZINC000898727725 621850967 /nfs/dbraw/zinc/85/09/67/621850967.db2.gz AVHWBSLUAIHQBS-QMMMGPOBSA-N -1 1 295.726 1.287 20 0 CDADMM O=C(NCCCc1c[nH][nH]c1=O)c1c([O-])cccc1Cl ZINC000898735374 621855698 /nfs/dbraw/zinc/85/56/98/621855698.db2.gz UNQOJUDUFVPDOY-MRVPVSSYSA-N -1 1 295.726 1.287 20 0 CDADMM CCCC[C@H](C)C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898755365 621860232 /nfs/dbraw/zinc/86/02/32/621860232.db2.gz PZEAMCNGTLUUPX-QMMMGPOBSA-N -1 1 253.302 1.330 20 0 CDADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCCC(C)C)o1 ZINC000042264196 622372575 /nfs/dbraw/zinc/37/25/75/622372575.db2.gz 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/nfs/dbraw/zinc/21/58/86/1163215886.db2.gz OTLSXGFTXXDOAA-UHFFFAOYSA-N -1 1 296.338 1.535 20 0 CDADMM CCc1cc(C)nc(NCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001604517406 1163215890 /nfs/dbraw/zinc/21/58/90/1163215890.db2.gz OTLSXGFTXXDOAA-UHFFFAOYSA-N -1 1 296.338 1.535 20 0 CDADMM C[C@@H]1C[C@@H]1c1ccc(CNCCn2cc(C(=O)[O-])nn2)o1 ZINC001604684965 1163283349 /nfs/dbraw/zinc/28/33/49/1163283349.db2.gz HJOSTYFJLKTVHH-KOLCDFICSA-N -1 1 290.323 1.483 20 0 CDADMM CN(C)c1ncccc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001604706551 1163289849 /nfs/dbraw/zinc/28/98/49/1163289849.db2.gz VDAFZGBQABFMFH-UHFFFAOYSA-N -1 1 299.294 1.173 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)Nc1ccccn1 ZINC001604792678 1163325871 /nfs/dbraw/zinc/32/58/71/1163325871.db2.gz BLISKWDADFMAPI-LLVKDONJSA-N -1 1 292.339 1.094 20 0 CDADMM CN(Cc1cccnc1)c1cccnc1-c1nnn[n-]1 ZINC001604822022 1163340726 /nfs/dbraw/zinc/34/07/26/1163340726.db2.gz UGSFBBFSDNWUOC-UHFFFAOYSA-N -1 1 267.296 1.293 20 0 CDADMM CN(Cc1cccnc1)c1cccnc1-c1nn[n-]n1 ZINC001604822022 1163340733 /nfs/dbraw/zinc/34/07/33/1163340733.db2.gz UGSFBBFSDNWUOC-UHFFFAOYSA-N -1 1 267.296 1.293 20 0 CDADMM COC(=O)[C@H]1CCCC[C@@H]1Cn1ccnc1-c1nnn[n-]1 ZINC001604926342 1163385145 /nfs/dbraw/zinc/38/51/45/1163385145.db2.gz YFTDXQKPFDFWCX-ZJUUUORDSA-N -1 1 290.327 1.043 20 0 CDADMM COC(=O)[C@H]1CCCC[C@@H]1Cn1ccnc1-c1nn[n-]n1 ZINC001604926342 1163385149 /nfs/dbraw/zinc/38/51/49/1163385149.db2.gz YFTDXQKPFDFWCX-ZJUUUORDSA-N -1 1 290.327 1.043 20 0 CDADMM CO[C@@H](C)CCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001605003070 1163411708 /nfs/dbraw/zinc/41/17/08/1163411708.db2.gz NMDTWUZYLRYZOP-YFKPBYRVSA-N -1 1 288.764 1.814 20 0 CDADMM CO[C@@H](C)CCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001605003070 1163411711 /nfs/dbraw/zinc/41/17/11/1163411711.db2.gz NMDTWUZYLRYZOP-YFKPBYRVSA-N -1 1 288.764 1.814 20 0 CDADMM COC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001605020066 1163419792 /nfs/dbraw/zinc/41/97/92/1163419792.db2.gz DWMJFLHHTMCSGW-UHFFFAOYSA-N -1 1 275.316 1.028 20 0 CDADMM COC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001605020066 1163419797 /nfs/dbraw/zinc/41/97/97/1163419797.db2.gz DWMJFLHHTMCSGW-UHFFFAOYSA-N -1 1 275.316 1.028 20 0 CDADMM CSCc1cccc(Nc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001605375246 1163539392 /nfs/dbraw/zinc/53/93/92/1163539392.db2.gz HREYYVQOYVCASD-UHFFFAOYSA-N -1 1 299.363 1.685 20 0 CDADMM CCN(CCC(=O)[O-])CN1C[C@@H](c2ccccc2)OC1=O ZINC001605443092 1163566196 /nfs/dbraw/zinc/56/61/96/1163566196.db2.gz SBWCDDFCONQKSF-ZDUSSCGKSA-N -1 1 292.335 1.934 20 0 CDADMM C[C@]12CCCC[C@H]1CN2C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001605448261 1163567596 /nfs/dbraw/zinc/56/75/96/1163567596.db2.gz SYVANHWIWSHXKL-HZMBPMFUSA-N -1 1 287.323 1.864 20 0 CDADMM C[C@]12CCCC[C@H]1CN2C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001605448261 1163567602 /nfs/dbraw/zinc/56/76/02/1163567602.db2.gz SYVANHWIWSHXKL-HZMBPMFUSA-N -1 1 287.323 1.864 20 0 CDADMM CCN(Cc1cn(CC(=O)[O-])nn1)[C@H]1CCOC(C)(C)C1 ZINC001605461717 1163572114 /nfs/dbraw/zinc/57/21/14/1163572114.db2.gz KGXQBEZLWIVVBH-LBPRGKRZSA-N -1 1 296.371 1.142 20 0 CDADMM CCN1C[C@@H](C)N(C(=O)CCCC(=O)[O-])C[C@@H]1C ZINC001605466653 1163574594 /nfs/dbraw/zinc/57/45/94/1163574594.db2.gz YDNUSNMPVPKJBS-WDEREUQCSA-N -1 1 256.346 1.182 20 0 CDADMM CCN1CCCN(Cc2ccccc2C(=O)[O-])CC1=O ZINC001605478800 1163581613 /nfs/dbraw/zinc/58/16/13/1163581613.db2.gz MKHORTCVIZYPLT-UHFFFAOYSA-N -1 1 276.336 1.439 20 0 CDADMM CCOC(=O)[C@@H]1CN(C/C=C(\C)C(=O)[O-])CCC1(F)F ZINC001605526385 1163596542 /nfs/dbraw/zinc/59/65/42/1163596542.db2.gz KJEOOYUOPIQVAM-LLGDCAAFSA-N -1 1 291.294 1.538 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CSC[C@H]2C)n1 ZINC001605572288 1163613725 /nfs/dbraw/zinc/61/37/25/1163613725.db2.gz DWKZPBMTZGRICS-MUWHJKNJSA-N -1 1 277.357 1.129 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CSC[C@H]2C)n1 ZINC001605572288 1163613730 /nfs/dbraw/zinc/61/37/30/1163613730.db2.gz DWKZPBMTZGRICS-MUWHJKNJSA-N -1 1 277.357 1.129 20 0 CDADMM CCc1cccc(C[N@@H+](CCC(=O)[O-])CC(=O)[O-])c1 ZINC001605830784 1163682594 /nfs/dbraw/zinc/68/25/94/1163682594.db2.gz POYJZDDAOLMORN-UHFFFAOYSA-N -1 1 265.309 1.610 20 0 CDADMM Cc1ccc(N2C[C@H](C)OC(C)(C)C2)c(-c2nnn[n-]2)n1 ZINC001605865089 1163695574 /nfs/dbraw/zinc/69/55/74/1163695574.db2.gz RFLJPOVOICKKOX-JTQLQIEISA-N -1 1 288.355 1.574 20 0 CDADMM Cc1ccc(N2C[C@H](C)OC(C)(C)C2)c(-c2nn[n-]n2)n1 ZINC001605865089 1163695578 /nfs/dbraw/zinc/69/55/78/1163695578.db2.gz RFLJPOVOICKKOX-JTQLQIEISA-N -1 1 288.355 1.574 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@]2(C)C=CCC2)c1-c1nn[n-]n1 ZINC001606013518 1163743247 /nfs/dbraw/zinc/74/32/47/1163743247.db2.gz SKJXWOQLXAJNFS-GFCCVEGCSA-N -1 1 273.300 1.193 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@@H]2CCCC2(C)C)c1-c1nn[n-]n1 ZINC001606013947 1163744006 /nfs/dbraw/zinc/74/40/06/1163744006.db2.gz ZXROIWLOWDSVSJ-QMMMGPOBSA-N -1 1 289.343 1.663 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](C)C(C)(C)C2)n1 ZINC001606019946 1163748076 /nfs/dbraw/zinc/74/80/76/1163748076.db2.gz OYNUUIAXZWDAEY-SECBINFHSA-N -1 1 287.371 1.838 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](C)C(C)(C)C2)n1 ZINC001606019946 1163748079 /nfs/dbraw/zinc/74/80/79/1163748079.db2.gz OYNUUIAXZWDAEY-SECBINFHSA-N -1 1 287.371 1.838 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@@H]2C[C@H]3CCC[C@H]3O2)c1C ZINC001606021154 1163748895 /nfs/dbraw/zinc/74/88/95/1163748895.db2.gz KWFKJLJKCKKCKE-GRYCIOLGSA-N -1 1 288.355 1.638 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@@H]2C[C@H]3CCC[C@H]3O2)c1C ZINC001606021154 1163748901 /nfs/dbraw/zinc/74/89/01/1163748901.db2.gz KWFKJLJKCKKCKE-GRYCIOLGSA-N -1 1 288.355 1.638 20 0 CDADMM CN(C)c1ncnc(Cl)c1CN1CC[C@@](C)(C(=O)[O-])C1 ZINC001606069843 1163762855 /nfs/dbraw/zinc/76/28/55/1163762855.db2.gz CNFDUZBFDZJIIA-CYBMUJFWSA-N -1 1 298.774 1.493 20 0 CDADMM Fc1cccc(CNc2ccnc(-c3nnn[n-]3)c2)c1F ZINC001606328192 1163861286 /nfs/dbraw/zinc/86/12/86/1163861286.db2.gz WTJVXARAVBFRKY-UHFFFAOYSA-N -1 1 288.261 1.574 20 0 CDADMM Fc1cccc(CNc2ccnc(-c3nn[n-]n3)c2)c1F ZINC001606328192 1163861290 /nfs/dbraw/zinc/86/12/90/1163861290.db2.gz WTJVXARAVBFRKY-UHFFFAOYSA-N -1 1 288.261 1.574 20 0 CDADMM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1CC[C@@H]1CCCCO1 ZINC001606384170 1163885062 /nfs/dbraw/zinc/88/50/62/1163885062.db2.gz BPQWLFFAAWUHGA-AVGNSLFASA-N -1 1 299.367 1.284 20 0 CDADMM COC[C@H](NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)c1ccc(C)o1 ZINC001606815104 1164000519 /nfs/dbraw/zinc/00/05/19/1164000519.db2.gz PBOVWSJLROQZMH-QXEWZRGKSA-N -1 1 289.278 1.831 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C(F)=C1CCC1 ZINC001606897677 1164027499 /nfs/dbraw/zinc/02/74/99/1164027499.db2.gz JXMURASXBFIDEW-UHFFFAOYSA-N -1 1 289.270 1.918 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCC[C@@H]2C[C@@H]21 ZINC001606943908 1164035396 /nfs/dbraw/zinc/03/53/96/1164035396.db2.gz HFIOGPDDZQRTNN-KCJUWKMLSA-N -1 1 285.311 1.278 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCC[C@@H]2C[C@@H]21 ZINC001606943908 1164035401 /nfs/dbraw/zinc/03/54/01/1164035401.db2.gz HFIOGPDDZQRTNN-KCJUWKMLSA-N -1 1 285.311 1.278 20 0 CDADMM COCc1noc([C@H](C)NCCC(C)(C)C(=O)[O-])n1 ZINC001606982667 1164049615 /nfs/dbraw/zinc/04/96/15/1164049615.db2.gz YPEARXKMRISQNG-QMMMGPOBSA-N -1 1 271.317 1.368 20 0 CDADMM OCC1(CNc2cccnc2-c2nnn[n-]2)CCCC1 ZINC001607102588 1164084735 /nfs/dbraw/zinc/08/47/35/1164084735.db2.gz ZWKFDDIXDDEDDW-UHFFFAOYSA-N -1 1 274.328 1.226 20 0 CDADMM OCC1(CNc2cccnc2-c2nn[n-]n2)CCCC1 ZINC001607102588 1164084738 /nfs/dbraw/zinc/08/47/38/1164084738.db2.gz ZWKFDDIXDDEDDW-UHFFFAOYSA-N -1 1 274.328 1.226 20 0 CDADMM OCc1ccc(CCNc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001607108116 1164087580 /nfs/dbraw/zinc/08/75/80/1164087580.db2.gz AOOLMHLZHSFJDW-UHFFFAOYSA-N -1 1 296.334 1.409 20 0 CDADMM OCc1ccc(CCNc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001607108116 1164087586 /nfs/dbraw/zinc/08/75/86/1164087586.db2.gz AOOLMHLZHSFJDW-UHFFFAOYSA-N -1 1 296.334 1.409 20 0 CDADMM c1cc(N2CCCC[C@@H]2C2CCC2)nc(-c2nn[n-]n2)n1 ZINC001607119546 1164101284 /nfs/dbraw/zinc/10/12/84/1164101284.db2.gz GKSPVWIBJZQBND-LLVKDONJSA-N -1 1 285.355 1.816 20 0 CDADMM c1ccc([C@H]2C[C@H]2Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001607129993 1164111289 /nfs/dbraw/zinc/11/12/89/1164111289.db2.gz YZDFLSTZAMBXNR-GHMZBOCLSA-N -1 1 279.307 1.625 20 0 CDADMM c1ccc([C@H]2C[C@H]2Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001607129993 1164111292 /nfs/dbraw/zinc/11/12/92/1164111292.db2.gz YZDFLSTZAMBXNR-GHMZBOCLSA-N -1 1 279.307 1.625 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(SC[C@H]2C[C@@]23CCOC3)c1 ZINC001607133619 1164112412 /nfs/dbraw/zinc/11/24/12/1164112412.db2.gz KUWKNAQZLHRVNY-NOZJJQNGSA-N -1 1 289.364 1.780 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(SC[C@H]2C[C@@]23CCOC3)c1 ZINC001607133619 1164112414 /nfs/dbraw/zinc/11/24/14/1164112414.db2.gz KUWKNAQZLHRVNY-NOZJJQNGSA-N -1 1 289.364 1.780 20 0 CDADMM c1n[nH]cc1Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001607136482 1164116893 /nfs/dbraw/zinc/11/68/93/1164116893.db2.gz FZCFZYOZENKWFK-UHFFFAOYSA-N -1 1 269.272 1.001 20 0 CDADMM c1n[nH]cc1Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001607136482 1164116898 /nfs/dbraw/zinc/11/68/98/1164116898.db2.gz FZCFZYOZENKWFK-UHFFFAOYSA-N -1 1 269.272 1.001 20 0 CDADMM COc1cncc(CN2CC(C)(C(=O)[O-])C2)c1C ZINC001607354173 1164155117 /nfs/dbraw/zinc/15/51/17/1164155117.db2.gz JVEZIBGMOFKNPI-UHFFFAOYSA-N -1 1 250.298 1.305 20 0 CDADMM Cc1ocnc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001608056418 1164396172 /nfs/dbraw/zinc/39/61/72/1164396172.db2.gz NHMDASDEDXQCEO-UHFFFAOYSA-N -1 1 286.247 1.810 20 0 CDADMM Cc1scc(CN2CCC[C@@H](O)[C@H]2C(=O)[O-])c1C ZINC001608075783 1164401106 /nfs/dbraw/zinc/40/11/06/1164401106.db2.gz SQNPPHGBVSTNRZ-NEPJUHHUSA-N -1 1 269.366 1.775 20 0 CDADMM Cn1c(=O)sc2cc(CN[C@@H](CF)C(=O)[O-])ccc21 ZINC001608080941 1164402761 /nfs/dbraw/zinc/40/27/61/1164402761.db2.gz RBWGFCSOLCKFSF-QMMMGPOBSA-N -1 1 284.312 1.112 20 0 CDADMM Nc1ccnc(CN2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)n1 ZINC001608274292 1164476246 /nfs/dbraw/zinc/47/62/46/1164476246.db2.gz XTKSAEVECYBDFZ-CHWSQXEVSA-N -1 1 298.346 1.359 20 0 CDADMM O=C([O-])[C@@H](Cc1ccc(F)cc1)NC(CF)CF ZINC001608539392 1164537684 /nfs/dbraw/zinc/53/76/84/1164537684.db2.gz ASXCOHHFXZYCKG-LLVKDONJSA-N -1 1 261.243 1.719 20 0 CDADMM O=C([O-])C[C@@]1(NCc2nc3c(s2)CCCC3)CCOC1 ZINC001608688771 1164605476 /nfs/dbraw/zinc/60/54/76/1164605476.db2.gz WUWBOQORCVGRAT-AWEZNQCLSA-N -1 1 296.392 1.745 20 0 CDADMM O=C([O-])c1cccc2c1CCN(CCOC(F)F)C2 ZINC001608940766 1164689957 /nfs/dbraw/zinc/68/99/57/1164689957.db2.gz OLSUNBSABVQNCR-UHFFFAOYSA-N -1 1 271.263 1.982 20 0 CDADMM O=C([O-])c1ccnc(C(=O)Nc2n[nH]c3cc(O)ccc32)c1 ZINC001608952183 1164693690 /nfs/dbraw/zinc/69/36/90/1164693690.db2.gz IXTZDZYHULLQTB-UHFFFAOYSA-N -1 1 298.258 1.614 20 0 CDADMM CC(C)c1nnc(COc2cccnc2-c2nnn[n-]2)o1 ZINC001609107177 1164772782 /nfs/dbraw/zinc/77/27/82/1164772782.db2.gz WCBXLTYKLOOTOS-UHFFFAOYSA-N -1 1 287.283 1.347 20 0 CDADMM CC(C)c1nnc(COc2cccnc2-c2nn[n-]n2)o1 ZINC001609107177 1164772790 /nfs/dbraw/zinc/77/27/90/1164772790.db2.gz WCBXLTYKLOOTOS-UHFFFAOYSA-N -1 1 287.283 1.347 20 0 CDADMM C[C@H]1CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@H]1C ZINC001609170917 1164814638 /nfs/dbraw/zinc/81/46/38/1164814638.db2.gz ATAFELIYNPCWON-DTORHVGOSA-N -1 1 289.314 1.734 20 0 CDADMM C[C@H]1CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@H]1C ZINC001609170917 1164814644 /nfs/dbraw/zinc/81/46/44/1164814644.db2.gz ATAFELIYNPCWON-DTORHVGOSA-N -1 1 289.314 1.734 20 0 CDADMM CCN(CCSC)c1cccc(-c2nnn[n-]2)n1 ZINC001609225074 1164854575 /nfs/dbraw/zinc/85/45/75/1164854575.db2.gz SMGWMECLCHXSBO-UHFFFAOYSA-N -1 1 264.358 1.451 20 0 CDADMM CCN(CCSC)c1cccc(-c2nn[n-]n2)n1 ZINC001609225074 1164854579 /nfs/dbraw/zinc/85/45/79/1164854579.db2.gz SMGWMECLCHXSBO-UHFFFAOYSA-N -1 1 264.358 1.451 20 0 CDADMM CCc1cccc(Cn2cc(C)cc(-c3nn[n-]n3)c2=O)c1 ZINC001609252882 1164867917 /nfs/dbraw/zinc/86/79/17/1164867917.db2.gz AFVYUAWXMOLKFK-UHFFFAOYSA-N -1 1 295.346 1.948 20 0 CDADMM CCc1ccc(COc2cnc(-c3nn[n-]n3)nc2)nc1 ZINC001609251925 1164868100 /nfs/dbraw/zinc/86/81/00/1164868100.db2.gz SPWLXRRXKNWFGX-UHFFFAOYSA-N -1 1 283.295 1.193 20 0 CDADMM CO[C@@H](C)CN(C)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001609309035 1164889714 /nfs/dbraw/zinc/88/97/14/1164889714.db2.gz VHDSLCZMNQNTSF-JTQLQIEISA-N -1 1 298.350 1.886 20 0 CDADMM CO[C@@H](C)CN(C)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001609309035 1164889721 /nfs/dbraw/zinc/88/97/21/1164889721.db2.gz VHDSLCZMNQNTSF-JTQLQIEISA-N -1 1 298.350 1.886 20 0 CDADMM ClC1(Cl)C[C@@H]1COc1cccnc1-c1nnn[n-]1 ZINC001609472237 1164966057 /nfs/dbraw/zinc/96/60/57/1164966057.db2.gz UTJHWQRKFOZMBL-ZCFIWIBFSA-N -1 1 286.122 1.834 20 0 CDADMM ClC1(Cl)C[C@@H]1COc1cccnc1-c1nn[n-]n1 ZINC001609472237 1164966063 /nfs/dbraw/zinc/96/60/63/1164966063.db2.gz UTJHWQRKFOZMBL-ZCFIWIBFSA-N -1 1 286.122 1.834 20 0 CDADMM O=C(N[C@H]1CC12CCCC2)c1ccc(-c2nnn[n-]2)s1 ZINC001609540323 1164984521 /nfs/dbraw/zinc/98/45/21/1164984521.db2.gz WOWRMOJUEMATDB-JTQLQIEISA-N -1 1 289.364 1.991 20 0 CDADMM O=C(N[C@H]1CC12CCCC2)c1ccc(-c2nn[n-]n2)s1 ZINC001609540323 1164984527 /nfs/dbraw/zinc/98/45/27/1164984527.db2.gz WOWRMOJUEMATDB-JTQLQIEISA-N -1 1 289.364 1.991 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NC[C@@H]1CCCSC1 ZINC001609621187 1165016631 /nfs/dbraw/zinc/01/66/31/1165016631.db2.gz UDYUKKGSRJAZJU-QMMMGPOBSA-N -1 1 277.357 1.212 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NC[C@@H]1CCCSC1 ZINC001609621187 1165016635 /nfs/dbraw/zinc/01/66/35/1165016635.db2.gz UDYUKKGSRJAZJU-QMMMGPOBSA-N -1 1 277.357 1.212 20 0 CDADMM COC(=O)C[C@@](C)(NC/C=C(\C)C(=O)[O-])c1ccccn1 ZINC001610174444 1165244454 /nfs/dbraw/zinc/24/44/54/1165244454.db2.gz CIKJFOFDEZXKEF-XKOZXHHJSA-N -1 1 292.335 1.480 20 0 CDADMM Cc1cc2[nH]ncc2cc1NC(=O)c1cc(C(=O)[O-])no1 ZINC001610479965 1165326990 /nfs/dbraw/zinc/32/69/90/1165326990.db2.gz PRFTUOLWGHARPI-UHFFFAOYSA-N -1 1 286.247 1.810 20 0 CDADMM O=C([O-])c1ccc(CN2CCC3(CC2)OCCO3)o1 ZINC000011895918 1165531205 /nfs/dbraw/zinc/53/12/05/1165531205.db2.gz BTSRYLHOSFJFIJ-UHFFFAOYSA-N -1 1 267.281 1.317 20 0 CDADMM C[C@H](NC(=O)CCCc1nn[n-]n1)c1c(F)cccc1F ZINC000873968278 1165597330 /nfs/dbraw/zinc/59/73/30/1165597330.db2.gz IBBZEUAQALOPBK-QMMMGPOBSA-N -1 1 295.293 1.678 20 0 CDADMM CCC[C@H](NC(=O)c1ccc2cccnn21)c1nn[n-]n1 ZINC001630697274 1166224330 /nfs/dbraw/zinc/22/43/30/1166224330.db2.gz FZEMBXKPJGBVLO-JTQLQIEISA-N -1 1 285.311 1.119 20 0 CDADMM CC(C)(C)C(=O)CNC(=O)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155269606 1167111302 /nfs/dbraw/zinc/11/13/02/1167111302.db2.gz LYXJKBWBLAJMAS-UHFFFAOYSA-N -1 1 275.308 1.614 20 0 CDADMM Cc1cc(CCC(=O)Nc2c(C)[n-][nH]c2=O)no1 ZINC001641719643 1167132852 /nfs/dbraw/zinc/13/28/52/1167132852.db2.gz ISOFQJLHWNGUJD-UHFFFAOYSA-N -1 1 250.258 1.291 20 0 CDADMM O=C(C=Cc1ccc[nH]1)OCC(=O)c1ccc([O-])cc1O ZINC001320526301 1167461315 /nfs/dbraw/zinc/46/13/15/1167461315.db2.gz UDEWAGCDRVHZQI-ZZXKWVIFSA-N -1 1 287.271 1.865 20 0 CDADMM COC[C@]1(C(=O)[O-])CCCN(Cc2nccs2)C1 ZINC001645903356 1167559943 /nfs/dbraw/zinc/55/99/43/1167559943.db2.gz CHZNDYFPDJHURP-LBPRGKRZSA-N -1 1 270.354 1.456 20 0 CDADMM O=C(c1ccsc1C(F)F)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001646984872 1168324539 /nfs/dbraw/zinc/32/45/39/1168324539.db2.gz UTAQYPIFAFCVCX-ZCFIWIBFSA-N -1 1 299.306 1.829 20 0 CDADMM CCC[C@@H](NC(=O)c1ncc(Cl)s1)c1nn[n-]n1 ZINC001647172215 1168424673 /nfs/dbraw/zinc/42/46/73/1168424673.db2.gz SIHRDPRFYCIJBU-RXMQYKEDSA-N -1 1 286.748 1.581 20 0 CDADMM CS(=O)(=O)C[C@H](NCc1ccc(C2CC2)cc1)C(=O)[O-] ZINC001647412315 1168662684 /nfs/dbraw/zinc/66/26/84/1168662684.db2.gz CIPSTMFJMMRQFK-ZDUSSCGKSA-N -1 1 297.376 1.151 20 0 CDADMM C[C@@H](CN(C)C(=O)c1nncc2ccccc21)c1nn[n-]n1 ZINC001567309829 1168673625 /nfs/dbraw/zinc/67/36/25/1168673625.db2.gz LVCLBCANCQNWEP-VIFPVBQESA-N -1 1 297.322 1.019 20 0 CDADMM COc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)N(C)C)c1 ZINC001650024121 1169621080 /nfs/dbraw/zinc/62/10/80/1169621080.db2.gz WLNZRZUIEPYORT-ZWNOBZJWSA-N -1 1 294.351 1.277 20 0 CDADMM C[C@H]1CCN(CC(=O)NCC2(CC(=O)[O-])CCCCC2)C1 ZINC001573646358 1170720172 /nfs/dbraw/zinc/72/01/72/1170720172.db2.gz RUUOMSRIMLMWHI-ZDUSSCGKSA-N -1 1 296.411 1.870 20 0 CDADMM Cc1ccccc1C1CC(NCc2nc(C(=O)[O-])n[nH]2)C1 ZINC001574165971 1170902985 /nfs/dbraw/zinc/90/29/85/1170902985.db2.gz JJDKQTXEANUNNF-UHFFFAOYSA-N -1 1 286.335 1.847 20 0 CDADMM O=C([O-])c1nc(NC(=O)c2cc(C(F)F)n[nH]2)c[nH]1 ZINC001574338712 1170950961 /nfs/dbraw/zinc/95/09/61/1170950961.db2.gz LRINSTABBMDODW-UHFFFAOYSA-N -1 1 271.183 1.021 20 0 CDADMM O=C([O-])c1n[n-]c(C[NH2+]Cc2ccc(C(F)F)cc2)n1 ZINC001574422747 1170977773 /nfs/dbraw/zinc/97/77/73/1170977773.db2.gz MGSBTCKOBJMOPS-UHFFFAOYSA-N -1 1 282.250 1.730 20 0 CDADMM O=C([O-])c1n[n-]c(C[NH2+]Cc2cc(F)cc(F)c2)n1 ZINC001574422504 1170978324 /nfs/dbraw/zinc/97/83/24/1170978324.db2.gz DXEWGSAIBDFIIE-UHFFFAOYSA-N -1 1 268.223 1.071 20 0 CDADMM NC(=O)c1ccc(Oc2cc(Cl)nc(=O)[n-]2)cc1 ZINC001651278591 1171311226 /nfs/dbraw/zinc/31/12/26/1171311226.db2.gz SQECZVFAQFKBSB-UHFFFAOYSA-N -1 1 265.656 1.727 20 0 CDADMM CCCCS(=O)(=O)[N-]c1cn2ccccc2n1 ZINC000075312117 1172112980 /nfs/dbraw/zinc/11/29/80/1172112980.db2.gz ITIWIDYMDVVTQK-UHFFFAOYSA-N -1 1 253.327 1.876 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cncnc1C ZINC001581574840 1172615315 /nfs/dbraw/zinc/61/53/15/1172615315.db2.gz FHJSTSGQPRRGMB-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cncnc1C ZINC001581574840 1172615317 /nfs/dbraw/zinc/61/53/17/1172615317.db2.gz FHJSTSGQPRRGMB-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1ncncc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001581575196 1172616142 /nfs/dbraw/zinc/61/61/42/1172616142.db2.gz TUALQPNSHAXLGE-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM O=C(Nc1ncccc1CO)c1ccc([O-])c(F)c1 ZINC001586410409 1172945863 /nfs/dbraw/zinc/94/58/63/1172945863.db2.gz JBKAOYRJAXQQCV-UHFFFAOYSA-N -1 1 262.240 1.671 20 0 CDADMM C[C@H](C(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1cccs1 ZINC001589021050 1173120134 /nfs/dbraw/zinc/12/01/34/1173120134.db2.gz NCQYPOTUQNCKQQ-LURJTMIESA-N -1 1 289.324 1.394 20 0 CDADMM CC(C)(CNc1cncc(-c2nnn[n-]2)n1)c1ccncc1 ZINC001589292238 1173135286 /nfs/dbraw/zinc/13/52/86/1173135286.db2.gz KFJCEMXMLKCMNQ-UHFFFAOYSA-N -1 1 296.338 1.441 20 0 CDADMM CC(C)(CNc1cncc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001589292238 1173135289 /nfs/dbraw/zinc/13/52/89/1173135289.db2.gz KFJCEMXMLKCMNQ-UHFFFAOYSA-N -1 1 296.338 1.441 20 0 CDADMM CC(C)[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001589475012 1173146009 /nfs/dbraw/zinc/14/60/09/1173146009.db2.gz AEJXKLHCRHWPPP-NSHDSACASA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001589475012 1173146014 /nfs/dbraw/zinc/14/60/14/1173146014.db2.gz AEJXKLHCRHWPPP-NSHDSACASA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)C(CNc1nccnc1-c1nnn[n-]1)C(C)C ZINC001589459455 1173146734 /nfs/dbraw/zinc/14/67/34/1173146734.db2.gz CZVDYWHJLWQWME-UHFFFAOYSA-N -1 1 275.360 1.997 20 0 CDADMM CC(C)C(CNc1nccnc1-c1nn[n-]n1)C(C)C ZINC001589459455 1173146739 /nfs/dbraw/zinc/14/67/39/1173146739.db2.gz CZVDYWHJLWQWME-UHFFFAOYSA-N -1 1 275.360 1.997 20 0 CDADMM CC(C)[C@@]1(C)C[C@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001589491681 1173151275 /nfs/dbraw/zinc/15/12/75/1173151275.db2.gz WLFKEHSBGWHHCP-BXKDBHETSA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)[C@@]1(C)C[C@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001589491681 1173151279 /nfs/dbraw/zinc/15/12/79/1173151279.db2.gz WLFKEHSBGWHHCP-BXKDBHETSA-N -1 1 259.317 1.503 20 0 CDADMM C[C@@H](CNc1ccnc(-c2nnn[n-]2)c1)c1nccs1 ZINC001589878473 1173192096 /nfs/dbraw/zinc/19/20/96/1173192096.db2.gz KTMVUJFATJUDEE-QMMMGPOBSA-N -1 1 287.352 1.356 20 0 CDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)c1)c1nccs1 ZINC001589878473 1173192112 /nfs/dbraw/zinc/19/21/12/1173192112.db2.gz KTMVUJFATJUDEE-QMMMGPOBSA-N -1 1 287.352 1.356 20 0 CDADMM CC(F)(F)CCC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589910494 1173199788 /nfs/dbraw/zinc/19/97/88/1173199788.db2.gz MNOKRCFKOCNSJD-UHFFFAOYSA-N -1 1 282.254 1.636 20 0 CDADMM CC(F)(F)CCC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589910494 1173199794 /nfs/dbraw/zinc/19/97/94/1173199794.db2.gz MNOKRCFKOCNSJD-UHFFFAOYSA-N -1 1 282.254 1.636 20 0 CDADMM CC1(C2(NC(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)CC1 ZINC001590122034 1173264895 /nfs/dbraw/zinc/26/48/95/1173264895.db2.gz LNSPVUNIBWVTHU-UHFFFAOYSA-N -1 1 284.323 1.324 20 0 CDADMM CC1(C2(NC(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)CC1 ZINC001590122034 1173264897 /nfs/dbraw/zinc/26/48/97/1173264897.db2.gz LNSPVUNIBWVTHU-UHFFFAOYSA-N -1 1 284.323 1.324 20 0 CDADMM C[C@@]12CCN(c3cccnc3-c3nnn[n-]3)C[C@@H]1C2(F)F ZINC001590157807 1173276791 /nfs/dbraw/zinc/27/67/91/1173276791.db2.gz VIOFWZBMSSBHTL-JOYOIKCWSA-N -1 1 292.293 1.743 20 0 CDADMM C[C@@]12CCN(c3cccnc3-c3nn[n-]n3)C[C@@H]1C2(F)F ZINC001590157807 1173276795 /nfs/dbraw/zinc/27/67/95/1173276795.db2.gz VIOFWZBMSSBHTL-JOYOIKCWSA-N -1 1 292.293 1.743 20 0 CDADMM C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)o2)O1 ZINC001590243691 1173314374 /nfs/dbraw/zinc/31/43/74/1173314374.db2.gz PRUMIUSAPROIOW-BDAKNGLRSA-N -1 1 291.311 1.147 20 0 CDADMM C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)o2)O1 ZINC001590243691 1173314379 /nfs/dbraw/zinc/31/43/79/1173314379.db2.gz PRUMIUSAPROIOW-BDAKNGLRSA-N -1 1 291.311 1.147 20 0 CDADMM C[C@@H]1CC[C@H]1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590242240 1173314454 /nfs/dbraw/zinc/31/44/54/1173314454.db2.gz URWUXERXSHQKAB-GMSGAONNSA-N -1 1 275.287 1.534 20 0 CDADMM C[C@@H]1CC[C@H]1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590242240 1173314462 /nfs/dbraw/zinc/31/44/62/1173314462.db2.gz URWUXERXSHQKAB-GMSGAONNSA-N -1 1 275.287 1.534 20 0 CDADMM C[C@H]1COCC[C@@H]1OC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590321900 1173355560 /nfs/dbraw/zinc/35/55/60/1173355560.db2.gz DGVBTZDDWUQPDO-CBAPKCEASA-N -1 1 278.268 1.042 20 0 CDADMM C[C@H]1COCC[C@@H]1OC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590321900 1173355568 /nfs/dbraw/zinc/35/55/68/1173355568.db2.gz DGVBTZDDWUQPDO-CBAPKCEASA-N -1 1 278.268 1.042 20 0 CDADMM C[C@@H]1CSC[C@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590330054 1173361749 /nfs/dbraw/zinc/36/17/49/1173361749.db2.gz VXXIFSUACOEKBS-HTRCEHHLSA-N -1 1 295.393 1.410 20 0 CDADMM C[C@@H]1OCC[C@H]1Sc1ccnc(-c2nnn[n-]2)c1 ZINC001590335490 1173362138 /nfs/dbraw/zinc/36/21/38/1173362138.db2.gz GZKLUSPWIIMEQA-OIBJUYFYSA-N -1 1 263.326 1.531 20 0 CDADMM C[C@@H]1OCC[C@H]1Sc1ccnc(-c2nn[n-]n2)c1 ZINC001590335490 1173362145 /nfs/dbraw/zinc/36/21/45/1173362145.db2.gz GZKLUSPWIIMEQA-OIBJUYFYSA-N -1 1 263.326 1.531 20 0 CDADMM CC/C(C)=C/C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001590392358 1173385896 /nfs/dbraw/zinc/38/58/96/1173385896.db2.gz YRISPNPMHGDWNY-MDZDMXLPSA-N -1 1 298.350 1.897 20 0 CDADMM CC/C(C)=C/C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001590392358 1173385900 /nfs/dbraw/zinc/38/59/00/1173385900.db2.gz YRISPNPMHGDWNY-MDZDMXLPSA-N -1 1 298.350 1.897 20 0 CDADMM CCC(F)(F)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001590451890 1173414710 /nfs/dbraw/zinc/41/47/10/1173414710.db2.gz LXBMYTUESTWKKX-UHFFFAOYSA-N -1 1 283.238 1.556 20 0 CDADMM CCC1(CNc2cc(-c3nnn[n-]3)nc(C)n2)CC1 ZINC001590495368 1173433910 /nfs/dbraw/zinc/43/39/10/1173433910.db2.gz FFGCJYNQTMGCRO-UHFFFAOYSA-N -1 1 259.317 1.567 20 0 CDADMM CCC1(CNc2cc(-c3nn[n-]n3)nc(C)n2)CC1 ZINC001590495368 1173433915 /nfs/dbraw/zinc/43/39/15/1173433915.db2.gz FFGCJYNQTMGCRO-UHFFFAOYSA-N -1 1 259.317 1.567 20 0 CDADMM CCC1(CNC(=O)c2ccsc2-c2nnn[n-]2)CC1 ZINC001590495874 1173434158 /nfs/dbraw/zinc/43/41/58/1173434158.db2.gz JVJRZDPVEDOQFF-UHFFFAOYSA-N -1 1 277.353 1.848 20 0 CDADMM CC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)[C@@H](CC)CO1 ZINC001590521543 1173448879 /nfs/dbraw/zinc/44/88/79/1173448879.db2.gz BHPCMVYAZVNZRV-UWVGGRQHSA-N -1 1 289.343 1.051 20 0 CDADMM CC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)[C@@H](CC)CO1 ZINC001590521543 1173448883 /nfs/dbraw/zinc/44/88/83/1173448883.db2.gz BHPCMVYAZVNZRV-UWVGGRQHSA-N -1 1 289.343 1.051 20 0 CDADMM CCC[C@H](C)CCNc1ncncc1-c1nn[n-]n1 ZINC001590550817 1173456929 /nfs/dbraw/zinc/45/69/29/1173456929.db2.gz PDTFMBLJYOEHJI-VIFPVBQESA-N -1 1 261.333 1.895 20 0 CDADMM CCC[C@@H](O)CCNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001590560348 1173463891 /nfs/dbraw/zinc/46/38/91/1173463891.db2.gz MZEKGMOOTMTTQI-SNVBAGLBSA-N -1 1 276.344 1.533 20 0 CDADMM CCC[C@@H](O)CCNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001590560348 1173463895 /nfs/dbraw/zinc/46/38/95/1173463895.db2.gz MZEKGMOOTMTTQI-SNVBAGLBSA-N -1 1 276.344 1.533 20 0 CDADMM CCN(C(=O)c1ccnc(-c2nnn[n-]2)c1)[C@@H](C)C(C)C ZINC001590675234 1173486897 /nfs/dbraw/zinc/48/68/97/1173486897.db2.gz OIAMRCMPXPDTDK-JTQLQIEISA-N -1 1 288.355 1.768 20 0 CDADMM CCN(C(=O)c1ccnc(-c2nn[n-]n2)c1)[C@@H](C)C(C)C ZINC001590675234 1173486901 /nfs/dbraw/zinc/48/69/01/1173486901.db2.gz OIAMRCMPXPDTDK-JTQLQIEISA-N -1 1 288.355 1.768 20 0 CDADMM CCO[C@H]1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001590822565 1173526345 /nfs/dbraw/zinc/52/63/45/1173526345.db2.gz RWBHFULZKIECDW-ZKCHVHJHSA-N -1 1 280.357 1.611 20 0 CDADMM CCc1ccc2c(c1)CCN2c1ncncc1-c1nn[n-]n1 ZINC001590891852 1173536459 /nfs/dbraw/zinc/53/64/59/1173536459.db2.gz CBCJNRAPQMFRDI-UHFFFAOYSA-N -1 1 293.334 1.913 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC(C)(C)CC2)n1 ZINC001590905622 1173539757 /nfs/dbraw/zinc/53/97/57/1173539757.db2.gz GDRKWYRFXZAGIY-UHFFFAOYSA-N -1 1 287.371 1.846 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC(C)(C)CC2)n1 ZINC001590905622 1173539761 /nfs/dbraw/zinc/53/97/61/1173539761.db2.gz GDRKWYRFXZAGIY-UHFFFAOYSA-N -1 1 287.371 1.846 20 0 CDADMM CCc1nc(N[C@H]2COCC2(C)C)cc(-c2nnn[n-]2)n1 ZINC001590916892 1173541107 /nfs/dbraw/zinc/54/11/07/1173541107.db2.gz XGRXAYPTISVUJO-VIFPVBQESA-N -1 1 289.343 1.056 20 0 CDADMM CCc1nc(N[C@H]2COCC2(C)C)cc(-c2nn[n-]n2)n1 ZINC001590916892 1173541116 /nfs/dbraw/zinc/54/11/16/1173541116.db2.gz XGRXAYPTISVUJO-VIFPVBQESA-N -1 1 289.343 1.056 20 0 CDADMM CCc1ncsc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590928417 1173544487 /nfs/dbraw/zinc/54/44/87/1173544487.db2.gz RBBOBXOHBIQSHG-UHFFFAOYSA-N -1 1 290.308 1.731 20 0 CDADMM CCc1ncsc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590928417 1173544493 /nfs/dbraw/zinc/54/44/93/1173544493.db2.gz RBBOBXOHBIQSHG-UHFFFAOYSA-N -1 1 290.308 1.731 20 0 CDADMM CCn1ccc(CN(C)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001590958413 1173550430 /nfs/dbraw/zinc/55/04/30/1173550430.db2.gz JISFBBJFWVOANG-UHFFFAOYSA-N -1 1 283.339 1.720 20 0 CDADMM CCn1ccc(CN(C)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001590958413 1173550438 /nfs/dbraw/zinc/55/04/38/1173550438.db2.gz JISFBBJFWVOANG-UHFFFAOYSA-N -1 1 283.339 1.720 20 0 CDADMM CCn1cncc1COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590964407 1173552534 /nfs/dbraw/zinc/55/25/34/1173552534.db2.gz YWKDGUPKYURRHC-UHFFFAOYSA-N -1 1 288.267 1.033 20 0 CDADMM CN(C(=O)[C@@H]1CCC1(C)C)c1ccc(-c2nnn[n-]2)nc1 ZINC001590977003 1173556530 /nfs/dbraw/zinc/55/65/30/1173556530.db2.gz JXWHCMNXOBYPFY-JTQLQIEISA-N -1 1 286.339 1.661 20 0 CDADMM CN(C(=O)[C@@H]1CCC1(C)C)c1ccc(-c2nn[n-]n2)nc1 ZINC001590977003 1173556536 /nfs/dbraw/zinc/55/65/36/1173556536.db2.gz JXWHCMNXOBYPFY-JTQLQIEISA-N -1 1 286.339 1.661 20 0 CDADMM CN(C(=O)c1ccsc1-c1nnn[n-]1)c1nccs1 ZINC001590997929 1173560801 /nfs/dbraw/zinc/56/08/01/1173560801.db2.gz WLFNRANNFOVORN-UHFFFAOYSA-N -1 1 292.349 1.661 20 0 CDADMM CN(C(=O)c1ccsc1-c1nn[n-]n1)c1nccs1 ZINC001590997929 1173560807 /nfs/dbraw/zinc/56/08/07/1173560807.db2.gz WLFNRANNFOVORN-UHFFFAOYSA-N -1 1 292.349 1.661 20 0 CDADMM CN(CCNc1cccnc1-c1nnn[n-]1)c1ccccc1 ZINC001591106077 1173570175 /nfs/dbraw/zinc/57/01/75/1173570175.db2.gz OUOZWHVCTBWAIT-UHFFFAOYSA-N -1 1 295.350 1.810 20 0 CDADMM CN(CCNc1cccnc1-c1nn[n-]n1)c1ccccc1 ZINC001591106077 1173570180 /nfs/dbraw/zinc/57/01/80/1173570180.db2.gz OUOZWHVCTBWAIT-UHFFFAOYSA-N -1 1 295.350 1.810 20 0 CDADMM CN(Cc1ccco1)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591149645 1173582194 /nfs/dbraw/zinc/58/21/94/1173582194.db2.gz VCTKSIFVRYXBSQ-UHFFFAOYSA-N -1 1 284.279 1.127 20 0 CDADMM CN(Cc1ccco1)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591149645 1173582204 /nfs/dbraw/zinc/58/22/04/1173582204.db2.gz VCTKSIFVRYXBSQ-UHFFFAOYSA-N -1 1 284.279 1.127 20 0 CDADMM COC1CCC(Nc2cc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001591350707 1173621658 /nfs/dbraw/zinc/62/16/58/1173621658.db2.gz HXPLDEXVLSJJBP-UHFFFAOYSA-N -1 1 288.355 1.940 20 0 CDADMM COC1CCC(Nc2cc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001591350707 1173621661 /nfs/dbraw/zinc/62/16/61/1173621661.db2.gz HXPLDEXVLSJJBP-UHFFFAOYSA-N -1 1 288.355 1.940 20 0 CDADMM CO[C@@H]1CCC[C@H]1Sc1cccnc1-c1nnn[n-]1 ZINC001591363431 1173631147 /nfs/dbraw/zinc/63/11/47/1173631147.db2.gz WQKMWZNPNQIIAU-RKDXNWHRSA-N -1 1 277.353 1.921 20 0 CDADMM CO[C@@H]1CCC[C@H]1Sc1cccnc1-c1nn[n-]n1 ZINC001591363431 1173631150 /nfs/dbraw/zinc/63/11/50/1173631150.db2.gz WQKMWZNPNQIIAU-RKDXNWHRSA-N -1 1 277.353 1.921 20 0 CDADMM COCCOCCCNc1ccc(C)nc1-c1nnn[n-]1 ZINC001591438622 1173652527 /nfs/dbraw/zinc/65/25/27/1173652527.db2.gz UTKKIIDAOLMUQS-UHFFFAOYSA-N -1 1 292.343 1.035 20 0 CDADMM COCCOCCCNc1ccc(C)nc1-c1nn[n-]n1 ZINC001591438622 1173652532 /nfs/dbraw/zinc/65/25/32/1173652532.db2.gz UTKKIIDAOLMUQS-UHFFFAOYSA-N -1 1 292.343 1.035 20 0 CDADMM COC[C@H]1C[C@@H](NC(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001591453439 1173655082 /nfs/dbraw/zinc/65/50/82/1173655082.db2.gz UGMSJAROQDDZGA-OTSSQURYSA-N -1 1 293.352 1.083 20 0 CDADMM CO[C@@H](C)CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001591467238 1173655957 /nfs/dbraw/zinc/65/59/57/1173655957.db2.gz CRKWIZNJBQAKOY-VIFPVBQESA-N -1 1 284.323 1.862 20 0 CDADMM CO[C@@H](C)CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001591467238 1173655965 /nfs/dbraw/zinc/65/59/65/1173655965.db2.gz CRKWIZNJBQAKOY-VIFPVBQESA-N -1 1 284.323 1.862 20 0 CDADMM CO[C@@]1(C)C[C@H]1Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001591473646 1173659206 /nfs/dbraw/zinc/65/92/06/1173659206.db2.gz PBRXGDHKKLVJGX-YGRLFVJLSA-N -1 1 297.322 1.399 20 0 CDADMM CO[C@@]1(C)C[C@H]1Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001591473646 1173659209 /nfs/dbraw/zinc/65/92/09/1173659209.db2.gz PBRXGDHKKLVJGX-YGRLFVJLSA-N -1 1 297.322 1.399 20 0 CDADMM CSC(C)(C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001591684955 1173678405 /nfs/dbraw/zinc/67/84/05/1173678405.db2.gz JFCLBTOFCWSYHH-UHFFFAOYSA-N -1 1 265.346 1.210 20 0 CDADMM CSC(C)(C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001591684955 1173678408 /nfs/dbraw/zinc/67/84/08/1173678408.db2.gz JFCLBTOFCWSYHH-UHFFFAOYSA-N -1 1 265.346 1.210 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C)CCC[C@@H]2C)n1 ZINC001591883755 1173734424 /nfs/dbraw/zinc/73/44/24/1173734424.db2.gz FBQQVUFCTFXCBW-KOLCDFICSA-N -1 1 287.371 1.980 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](C)CCC[C@@H]2C)n1 ZINC001591883755 1173734429 /nfs/dbraw/zinc/73/44/29/1173734429.db2.gz FBQQVUFCTFXCBW-KOLCDFICSA-N -1 1 287.371 1.980 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CC=CCC2)n1 ZINC001591883474 1173735804 /nfs/dbraw/zinc/73/58/04/1173735804.db2.gz OTRFMPHCBAJLGJ-LLVKDONJSA-N -1 1 285.355 1.758 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CC=CCC2)n1 ZINC001591883474 1173735809 /nfs/dbraw/zinc/73/58/09/1173735809.db2.gz OTRFMPHCBAJLGJ-LLVKDONJSA-N -1 1 285.355 1.758 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@H](C)C2)n1 ZINC001591888565 1173738006 /nfs/dbraw/zinc/73/80/06/1173738006.db2.gz KVIUZQSBMAACOE-VIFPVBQESA-N -1 1 273.344 1.592 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@H](C)C2)n1 ZINC001591888565 1173738011 /nfs/dbraw/zinc/73/80/11/1173738011.db2.gz KVIUZQSBMAACOE-VIFPVBQESA-N -1 1 273.344 1.592 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](C3CC3)C2)n1 ZINC001591889602 1173738150 /nfs/dbraw/zinc/73/81/50/1173738150.db2.gz VAEAUQZLVYLDMO-NSHDSACASA-N -1 1 285.355 1.592 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](C3CC3)C2)n1 ZINC001591889602 1173738155 /nfs/dbraw/zinc/73/81/55/1173738155.db2.gz VAEAUQZLVYLDMO-NSHDSACASA-N -1 1 285.355 1.592 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCC[C@H](C)O2)n1 ZINC001591895045 1173742542 /nfs/dbraw/zinc/74/25/42/1173742542.db2.gz OFGIZVZXXPWKPA-VHSXEESVSA-N -1 1 289.343 1.335 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCC[C@H](C)O2)n1 ZINC001591895045 1173742548 /nfs/dbraw/zinc/74/25/48/1173742548.db2.gz OFGIZVZXXPWKPA-VHSXEESVSA-N -1 1 289.343 1.335 20 0 CDADMM Cc1cc(C)c(C(=O)n2ncc(-c3nn[n-]n3)c2N)s1 ZINC001591947142 1173752075 /nfs/dbraw/zinc/75/20/75/1173752075.db2.gz QSIGLXGSYGJPBM-UHFFFAOYSA-N -1 1 289.324 1.012 20 0 CDADMM Cc1cc(NC[C@H]2C=CCC2)nc(-c2nnn[n-]2)c1 ZINC001592043784 1173783902 /nfs/dbraw/zinc/78/39/02/1173783902.db2.gz KTBKGZGFIUUXLX-JTQLQIEISA-N -1 1 256.313 1.948 20 0 CDADMM Cc1ccc(N2CC[C@H](C)[C@@H]2C)c(-c2nnn[n-]2)n1 ZINC001592176276 1173823073 /nfs/dbraw/zinc/82/30/73/1173823073.db2.gz YQBXABNMDIUIPI-WPRPVWTQSA-N -1 1 258.329 1.805 20 0 CDADMM Cc1ccc(N2CC[C@H](C)[C@@H]2C)c(-c2nn[n-]n2)n1 ZINC001592176276 1173823078 /nfs/dbraw/zinc/82/30/78/1173823078.db2.gz YQBXABNMDIUIPI-WPRPVWTQSA-N -1 1 258.329 1.805 20 0 CDADMM Cc1ccc(N[C@H]2CCCOC2)c(-c2nnn[n-]2)n1 ZINC001592186702 1173831578 /nfs/dbraw/zinc/83/15/78/1173831578.db2.gz XOODYVBQNGRYDC-VIFPVBQESA-N -1 1 260.301 1.161 20 0 CDADMM Cc1ccc(N[C@H]2CCCOC2)c(-c2nn[n-]n2)n1 ZINC001592186702 1173831584 /nfs/dbraw/zinc/83/15/84/1173831584.db2.gz XOODYVBQNGRYDC-VIFPVBQESA-N -1 1 260.301 1.161 20 0 CDADMM Cc1cccc([C@H](O)CNc2ncncc2-c2nn[n-]n2)c1 ZINC001592223865 1173834530 /nfs/dbraw/zinc/83/45/30/1173834530.db2.gz GULUTOFEIBYZOJ-GFCCVEGCSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1ccccc1[C@@H](O)CNc1cccnc1-c1nnn[n-]1 ZINC001592251063 1173836562 /nfs/dbraw/zinc/83/65/62/1173836562.db2.gz BALAFTRLSPBHMV-ZDUSSCGKSA-N -1 1 296.334 1.716 20 0 CDADMM Cc1ccccc1[C@@H](O)CNc1cccnc1-c1nn[n-]n1 ZINC001592251063 1173836564 /nfs/dbraw/zinc/83/65/64/1173836564.db2.gz BALAFTRLSPBHMV-ZDUSSCGKSA-N -1 1 296.334 1.716 20 0 CDADMM Cc1ccnc(C)c1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001592271595 1173839318 /nfs/dbraw/zinc/83/93/18/1173839318.db2.gz GRNLQWWBFPZSLA-UHFFFAOYSA-N -1 1 295.306 1.526 20 0 CDADMM Cc1ccnc(C)c1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001592271595 1173839323 /nfs/dbraw/zinc/83/93/23/1173839323.db2.gz GRNLQWWBFPZSLA-UHFFFAOYSA-N -1 1 295.306 1.526 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cncc(C)c1 ZINC001592300367 1173852628 /nfs/dbraw/zinc/85/26/28/1173852628.db2.gz UPHOAGIBXSNXAO-UHFFFAOYSA-N -1 1 284.279 1.724 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cncc(C)c1 ZINC001592300367 1173852631 /nfs/dbraw/zinc/85/26/31/1173852631.db2.gz UPHOAGIBXSNXAO-UHFFFAOYSA-N -1 1 284.279 1.724 20 0 CDADMM Cc1csc(CNC(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001592315139 1173853149 /nfs/dbraw/zinc/85/31/49/1173853149.db2.gz BPIWSWKQEOYRPG-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1csc(CNC(=O)c2coc(-c3nn[n-]n3)c2)n1 ZINC001592315139 1173853153 /nfs/dbraw/zinc/85/31/53/1173853153.db2.gz BPIWSWKQEOYRPG-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1nc(NCc2ccns2)cc(-c2nnn[n-]2)n1 ZINC001592393634 1173880044 /nfs/dbraw/zinc/88/00/44/1173880044.db2.gz AIEAUKGUGADVCN-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM Cc1nc(NCc2ccns2)cc(-c2nn[n-]n2)n1 ZINC001592393634 1173880049 /nfs/dbraw/zinc/88/00/49/1173880049.db2.gz AIEAUKGUGADVCN-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC2(CC2(F)F)C1 ZINC001592497088 1173904177 /nfs/dbraw/zinc/90/41/77/1173904177.db2.gz UUWWWTPUYFHYIK-UHFFFAOYSA-N -1 1 295.249 1.249 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC2(CC2(F)F)C1 ZINC001592497088 1173904182 /nfs/dbraw/zinc/90/41/82/1173904182.db2.gz UUWWWTPUYFHYIK-UHFFFAOYSA-N -1 1 295.249 1.249 20 0 CDADMM Cc1nsc(S[C@H]2CCCOC2)c1-c1nnn[n-]1 ZINC001592494509 1173906065 /nfs/dbraw/zinc/90/60/65/1173906065.db2.gz YCXDNYZEWLBNQW-ZETCQYMHSA-N -1 1 283.382 1.903 20 0 CDADMM Cc1nsc(S[C@H]2CCCOC2)c1-c1nn[n-]n1 ZINC001592494509 1173906073 /nfs/dbraw/zinc/90/60/73/1173906073.db2.gz YCXDNYZEWLBNQW-ZETCQYMHSA-N -1 1 283.382 1.903 20 0 CDADMM Clc1cc(CNc2ccc(-c3nnn[n-]3)nn2)ccn1 ZINC001592526113 1173912464 /nfs/dbraw/zinc/91/24/64/1173912464.db2.gz MSEWLKNSSFLGST-UHFFFAOYSA-N -1 1 288.702 1.317 20 0 CDADMM Clc1cc(CNc2ccc(-c3nn[n-]n3)nn2)ccn1 ZINC001592526113 1173912468 /nfs/dbraw/zinc/91/24/68/1173912468.db2.gz MSEWLKNSSFLGST-UHFFFAOYSA-N -1 1 288.702 1.317 20 0 CDADMM Cn1nc(Nc2ccnc(-c3nnn[n-]3)c2)cc1C1CC1 ZINC001592595540 1173925592 /nfs/dbraw/zinc/92/55/92/1173925592.db2.gz ZAZZETXRDXZKEI-UHFFFAOYSA-N -1 1 282.311 1.616 20 0 CDADMM Cn1nc(Nc2ccnc(-c3nn[n-]n3)c2)cc1C1CC1 ZINC001592595540 1173925597 /nfs/dbraw/zinc/92/55/97/1173925597.db2.gz ZAZZETXRDXZKEI-UHFFFAOYSA-N -1 1 282.311 1.616 20 0 CDADMM Fc1ccc2c(c1)CN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001592653546 1173955181 /nfs/dbraw/zinc/95/51/81/1173955181.db2.gz BDPYEORVZLMPTB-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM Fc1cccc(Oc2cnccn2)c1-c1nnn[n-]1 ZINC001592658875 1173957973 /nfs/dbraw/zinc/95/79/73/1173957973.db2.gz XYSDKMSDHAIECG-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM Fc1cccc(Oc2cnccn2)c1-c1nn[n-]n1 ZINC001592658875 1173957978 /nfs/dbraw/zinc/95/79/78/1173957978.db2.gz XYSDKMSDHAIECG-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM O=C(Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1)C1CC1 ZINC001592943045 1174006549 /nfs/dbraw/zinc/00/65/49/1174006549.db2.gz SOPSVOJVVQAZGE-UHFFFAOYSA-N -1 1 295.306 1.104 20 0 CDADMM O=C(NCCC(F)(F)F)c1ccc(-c2nnn[n-]2)o1 ZINC001593056814 1174015309 /nfs/dbraw/zinc/01/53/09/1174015309.db2.gz NTARMJVXSIHYNX-UHFFFAOYSA-N -1 1 275.190 1.142 20 0 CDADMM O=C(NCCC(F)(F)F)c1ccc(-c2nn[n-]n2)o1 ZINC001593056814 1174015315 /nfs/dbraw/zinc/01/53/15/1174015315.db2.gz NTARMJVXSIHYNX-UHFFFAOYSA-N -1 1 275.190 1.142 20 0 CDADMM O=C(NCC[C@H]1CCSC1)c1ccc(-c2nnn[n-]2)o1 ZINC001593066143 1174018045 /nfs/dbraw/zinc/01/80/45/1174018045.db2.gz XEHRMRPXTNEDTF-QMMMGPOBSA-N -1 1 293.352 1.333 20 0 CDADMM O=C(NCC[C@H]1CCSC1)c1ccc(-c2nn[n-]n2)o1 ZINC001593066143 1174018052 /nfs/dbraw/zinc/01/80/52/1174018052.db2.gz XEHRMRPXTNEDTF-QMMMGPOBSA-N -1 1 293.352 1.333 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CC=CCC1 ZINC001593137702 1174023489 /nfs/dbraw/zinc/02/34/89/1174023489.db2.gz QNVMTBNFATWFSP-UHFFFAOYSA-N -1 1 290.352 1.400 20 0 CDADMM O=C(NCc1ccncc1)c1ccsc1-c1nnn[n-]1 ZINC001593148312 1174027133 /nfs/dbraw/zinc/02/71/33/1174027133.db2.gz WSRLHWZNMUCFCO-UHFFFAOYSA-N -1 1 286.320 1.253 20 0 CDADMM O=C(NCc1ccncc1)c1ccsc1-c1nn[n-]n1 ZINC001593148312 1174027138 /nfs/dbraw/zinc/02/71/38/1174027138.db2.gz WSRLHWZNMUCFCO-UHFFFAOYSA-N -1 1 286.320 1.253 20 0 CDADMM O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)c1coc(-c2nnn[n-]2)c1 ZINC001593180096 1174028610 /nfs/dbraw/zinc/02/86/10/1174028610.db2.gz PXNDHZJWTAKBSF-INTQDDNPSA-N -1 1 287.323 1.768 20 0 CDADMM O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)c1coc(-c2nn[n-]n2)c1 ZINC001593180096 1174028616 /nfs/dbraw/zinc/02/86/16/1174028616.db2.gz PXNDHZJWTAKBSF-INTQDDNPSA-N -1 1 287.323 1.768 20 0 CDADMM O=C(N[C@@H]1C[C@H]1C1CCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001593180034 1174029744 /nfs/dbraw/zinc/02/97/44/1174029744.db2.gz LDGGKXNFEPZOJW-DTWKUNHWSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(N[C@@H]1C[C@H]1C1CCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001593180034 1174029749 /nfs/dbraw/zinc/02/97/49/1174029749.db2.gz LDGGKXNFEPZOJW-DTWKUNHWSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(Nc1cccc2c1OCO2)c1coc(-c2nnn[n-]2)c1 ZINC001593249685 1174041153 /nfs/dbraw/zinc/04/11/53/1174041153.db2.gz LXJDZGSMMBISRI-UHFFFAOYSA-N -1 1 299.246 1.441 20 0 CDADMM O=C(Nc1cccc2c1OCO2)c1coc(-c2nn[n-]n2)c1 ZINC001593249685 1174041157 /nfs/dbraw/zinc/04/11/57/1174041157.db2.gz LXJDZGSMMBISRI-UHFFFAOYSA-N -1 1 299.246 1.441 20 0 CDADMM O=C(OC1CCSCC1)c1csc(-c2nnn[n-]2)c1 ZINC001593280186 1174047819 /nfs/dbraw/zinc/04/78/19/1174047819.db2.gz HFBDSVOVQGJEFR-UHFFFAOYSA-N -1 1 296.377 1.981 20 0 CDADMM O=C(OC1CCSCC1)c1csc(-c2nn[n-]n2)c1 ZINC001593280186 1174047827 /nfs/dbraw/zinc/04/78/27/1174047827.db2.gz HFBDSVOVQGJEFR-UHFFFAOYSA-N -1 1 296.377 1.981 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC=C(Cl)C1 ZINC001593367717 1174070311 /nfs/dbraw/zinc/07/03/11/1174070311.db2.gz NZMWFXZXAOAODT-UHFFFAOYSA-N -1 1 279.687 1.428 20 0 CDADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCCCC1 ZINC001593362189 1174070823 /nfs/dbraw/zinc/07/08/23/1174070823.db2.gz KNMFTMDJKMVKFM-UHFFFAOYSA-N -1 1 263.326 1.554 20 0 CDADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCCCC1 ZINC001593362189 1174070831 /nfs/dbraw/zinc/07/08/31/1174070831.db2.gz KNMFTMDJKMVKFM-UHFFFAOYSA-N -1 1 263.326 1.554 20 0 CDADMM c1[nH]nc2c1cccc2CNc1n[nH]cc1-c1nnn[n-]1 ZINC001593553453 1174127321 /nfs/dbraw/zinc/12/73/21/1174127321.db2.gz CHSITISQWDQOEO-UHFFFAOYSA-N -1 1 281.283 1.078 20 0 CDADMM c1[nH]nc2c1cccc2CNc1n[nH]cc1-c1nn[n-]n1 ZINC001593553453 1174127326 /nfs/dbraw/zinc/12/73/26/1174127326.db2.gz CHSITISQWDQOEO-UHFFFAOYSA-N -1 1 281.283 1.078 20 0 CDADMM c1cc(NC[C@@]23C[C@@H]2CCCC3)nc(-c2nn[n-]n2)n1 ZINC001593558715 1174133177 /nfs/dbraw/zinc/13/31/77/1174133177.db2.gz PJYADLFATYAPHA-TVQRCGJNSA-N -1 1 271.328 1.071 20 0 CDADMM c1[nH]nc(NCc2ccc3nccnc3c2)c1-c1nnn[n-]1 ZINC001593587298 1174152372 /nfs/dbraw/zinc/15/23/72/1174152372.db2.gz GJFANFQMKDKFRC-UHFFFAOYSA-N -1 1 293.294 1.145 20 0 CDADMM c1[nH]nc(NCc2ccc3nccnc3c2)c1-c1nn[n-]n1 ZINC001593587298 1174152375 /nfs/dbraw/zinc/15/23/75/1174152375.db2.gz GJFANFQMKDKFRC-UHFFFAOYSA-N -1 1 293.294 1.145 20 0 CDADMM c1nocc1CCSc1cccnc1-c1nnn[n-]1 ZINC001593584827 1174152888 /nfs/dbraw/zinc/15/28/88/1174152888.db2.gz OWBKHEJIAZGLGY-UHFFFAOYSA-N -1 1 274.309 1.585 20 0 CDADMM c1nocc1CCSc1cccnc1-c1nn[n-]n1 ZINC001593584827 1174152896 /nfs/dbraw/zinc/15/28/96/1174152896.db2.gz OWBKHEJIAZGLGY-UHFFFAOYSA-N -1 1 274.309 1.585 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NC[C@@H]1CCCCS1 ZINC001593590519 1174157850 /nfs/dbraw/zinc/15/78/50/1174157850.db2.gz WCSKLCHEEJYRIS-QMMMGPOBSA-N -1 1 277.357 1.354 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NC[C@@H]1CCCCS1 ZINC001593590519 1174157855 /nfs/dbraw/zinc/15/78/55/1174157855.db2.gz WCSKLCHEEJYRIS-QMMMGPOBSA-N -1 1 277.357 1.354 20 0 CDADMM c1nc(N2CCC[C@H]2C2CC2)cnc1-c1nnn[n-]1 ZINC001593591983 1174158947 /nfs/dbraw/zinc/15/89/47/1174158947.db2.gz YJSOCPKKXORBMW-JTQLQIEISA-N -1 1 257.301 1.036 20 0 CDADMM c1nc(N2CCC[C@H]2C2CC2)cnc1-c1nn[n-]n1 ZINC001593591983 1174158951 /nfs/dbraw/zinc/15/89/51/1174158951.db2.gz YJSOCPKKXORBMW-JTQLQIEISA-N -1 1 257.301 1.036 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCN1C1CCCC1 ZINC001594787257 1174188169 /nfs/dbraw/zinc/18/81/69/1174188169.db2.gz WLWKIKSIOQGFRM-AGIUHOORSA-N -1 1 280.368 1.373 20 0 CDADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)ns1 ZINC001600084544 1174355869 /nfs/dbraw/zinc/35/58/69/1174355869.db2.gz RBAOJMJYOZEEDX-SECBINFHSA-N -1 1 297.380 1.073 20 0 CDADMM Cc1cc(C(=O)[O-])nc(NCc2ccc3cncn3c2)n1 ZINC001600128622 1174369422 /nfs/dbraw/zinc/36/94/22/1174369422.db2.gz UUGWAOJNMSZLKX-UHFFFAOYSA-N -1 1 283.291 1.743 20 0 CDADMM C[C@@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC000095253384 1174519802 /nfs/dbraw/zinc/51/98/02/1174519802.db2.gz WAHDXPRXLMUIDA-OPRDCNLKSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC000095253384 1174519806 /nfs/dbraw/zinc/51/98/06/1174519806.db2.gz WAHDXPRXLMUIDA-OPRDCNLKSA-N -1 1 273.344 1.893 20 0 CDADMM COc1ccc(CNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC000095299080 1174520422 /nfs/dbraw/zinc/52/04/22/1174520422.db2.gz ZWWOOBMRABYPJS-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM COc1ccc(CNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC000095299080 1174520430 /nfs/dbraw/zinc/52/04/30/1174520430.db2.gz ZWWOOBMRABYPJS-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM Cn1cc(NC(=O)[C@H](N)Cc2ccccc2)cc1C(=O)[O-] ZINC001600963970 1174682512 /nfs/dbraw/zinc/68/25/12/1174682512.db2.gz FUPDHLFSQMFJCP-GFCCVEGCSA-N -1 1 287.319 1.232 20 0 CDADMM NCc1nc2c(s1)CCN(Cc1ccc(C(=O)[O-])[nH]1)C2 ZINC001601191745 1174785001 /nfs/dbraw/zinc/78/50/01/1174785001.db2.gz FVQLWIAXJXEFLL-UHFFFAOYSA-N -1 1 292.364 1.186 20 0 CDADMM O=C([O-])C1=CC[C@@H](NC(=O)c2cc(F)cc3nc[nH]c32)C1 ZINC001601736449 1174975967 /nfs/dbraw/zinc/97/59/67/1174975967.db2.gz ZIBFZAZUWDIMSY-SECBINFHSA-N -1 1 289.266 1.605 20 0 CDADMM O=C([O-])[C@H]1CCC[C@@H]1NCc1nnc(C2CC2)o1 ZINC001601807096 1175016209 /nfs/dbraw/zinc/01/62/09/1175016209.db2.gz DMCPVIMIJMJCIM-IUCAKERBSA-N -1 1 251.286 1.290 20 0 CDADMM O=C([O-])CC1CCN(CN2CCC3(CCC3)C2=O)CC1 ZINC001601956848 1175086835 /nfs/dbraw/zinc/08/68/35/1175086835.db2.gz KVWXLWNIIOIGSD-UHFFFAOYSA-N -1 1 280.368 1.533 20 0 CDADMM O=C([O-])c1ccc(CN2CCC[C@H]2c2nnc[nH]2)cc1F ZINC001602337184 1175211759 /nfs/dbraw/zinc/21/17/59/1175211759.db2.gz UZESRNMKZMICNL-LBPRGKRZSA-N -1 1 290.298 1.979 20 0 CDADMM O=C([O-])c1cccc(CN2C[C@@H](O)C3(CC3)C2)c1Cl ZINC001602436985 1175239351 /nfs/dbraw/zinc/23/93/51/1175239351.db2.gz RWWZWSIOLWKVQZ-LLVKDONJSA-N -1 1 281.739 1.995 20 0 CDADMM CC(C)CO[N-]C(=O)CN(C)Cc1ccccc1 ZINC000123117434 1175248331 /nfs/dbraw/zinc/24/83/31/1175248331.db2.gz HVTLBWOUFJISMS-UHFFFAOYSA-N -1 1 250.342 1.822 20 0 CDADMM O=C([O-])c1ccoc1CN1CCC[C@H]1c1nnc[nH]1 ZINC001602486044 1175258745 /nfs/dbraw/zinc/25/87/45/1175258745.db2.gz MOFFPGZRMHTPPB-VIFPVBQESA-N -1 1 262.269 1.433 20 0 CDADMM O=C([O-])c1cnc(CN2CCC[C@@H](CCO)CC2)s1 ZINC001602518129 1175264068 /nfs/dbraw/zinc/26/40/68/1175264068.db2.gz AJVRNQNLACGZJF-SNVBAGLBSA-N -1 1 284.381 1.826 20 0 CDADMM O=C([O-])c1cnc(CN2CCC(c3ccncc3)CC2)cn1 ZINC001602518430 1175265898 /nfs/dbraw/zinc/26/58/98/1175265898.db2.gz DZYHGXAIJYOYFP-UHFFFAOYSA-N -1 1 298.346 1.949 20 0 CDADMM O=C([O-])c1cnc(CN[C@@H]2COC[C@@H]2C2CC2)s1 ZINC001602521173 1175268972 /nfs/dbraw/zinc/26/89/72/1175268972.db2.gz NHCFZMWSNFLMOS-RKDXNWHRSA-N -1 1 268.338 1.356 20 0 CDADMM O=C([O-])c1cnc(CN[C@]23C[C@H]2COC32CCC2)s1 ZINC001602523520 1175270982 /nfs/dbraw/zinc/27/09/82/1175270982.db2.gz VGRSIVZLOIZIBI-ISVAXAHUSA-N -1 1 280.349 1.643 20 0 CDADMM O=C([O-])c1ncn(CN2CCCc3ccccc3CC2)n1 ZINC001602580251 1175305861 /nfs/dbraw/zinc/30/58/61/1175305861.db2.gz OTFBBDGWEPZTPW-UHFFFAOYSA-N -1 1 286.335 1.425 20 0 CDADMM C1=CC[C@]2(CC1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001602748780 1175382950 /nfs/dbraw/zinc/38/29/50/1175382950.db2.gz FWZKQPRGYXSOCJ-HNNXBMFYSA-N -1 1 297.366 1.983 20 0 CDADMM CC(=Cc1ccco1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001602905737 1175448311 /nfs/dbraw/zinc/44/83/11/1175448311.db2.gz ATOOCRHRFAXBEL-FNORWQNLSA-N -1 1 285.267 1.225 20 0 CDADMM CC(=Cc1ccco1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001602905737 1175448313 /nfs/dbraw/zinc/44/83/13/1175448313.db2.gz ATOOCRHRFAXBEL-FNORWQNLSA-N -1 1 285.267 1.225 20 0 CDADMM CC(=O)CCN1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001603001281 1175475427 /nfs/dbraw/zinc/47/54/27/1175475427.db2.gz SZPPFRWDVNQLQG-GFCCVEGCSA-N -1 1 290.363 1.874 20 0 CDADMM C[C@H](C(=O)Nc1ncc(-c2nnn[n-]2)s1)C(C)(F)F ZINC001603031146 1175479792 /nfs/dbraw/zinc/47/97/92/1175479792.db2.gz ALNBNTZWWVALJZ-SCSAIBSYSA-N -1 1 288.283 1.553 20 0 CDADMM C[C@H](C(=O)Nc1ncc(-c2nn[n-]n2)s1)C(C)(F)F ZINC001603031146 1175479796 /nfs/dbraw/zinc/47/97/96/1175479796.db2.gz ALNBNTZWWVALJZ-SCSAIBSYSA-N -1 1 288.283 1.553 20 0 CDADMM CC(C)n1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)n1 ZINC001603430873 1175553123 /nfs/dbraw/zinc/55/31/23/1175553123.db2.gz SAUNCPIFLZHAGX-UHFFFAOYSA-N -1 1 298.310 1.291 20 0 CDADMM CC(C)n1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)n1 ZINC001603430873 1175553128 /nfs/dbraw/zinc/55/31/28/1175553128.db2.gz SAUNCPIFLZHAGX-UHFFFAOYSA-N -1 1 298.310 1.291 20 0 CDADMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)[C@H]1c1ccco1 ZINC001603788326 1175630130 /nfs/dbraw/zinc/63/01/30/1175630130.db2.gz URKKLRIDJPGBHQ-LBPRGKRZSA-N -1 1 297.322 1.837 20 0 CDADMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)[C@H]1c1ccco1 ZINC001603788326 1175630137 /nfs/dbraw/zinc/63/01/37/1175630137.db2.gz URKKLRIDJPGBHQ-LBPRGKRZSA-N -1 1 297.322 1.837 20 0 CDADMM C[C@@H]1C[C@H](C)[C@H](C(=O)OCc2ccc(-c3nnn[n-]3)o2)O1 ZINC001603844320 1175651541 /nfs/dbraw/zinc/65/15/41/1175651541.db2.gz AMIGXCMFENSMQJ-VAOFZXAKSA-N -1 1 292.295 1.316 20 0 CDADMM C[C@@H]1C[C@H](C)[C@H](C(=O)OCc2ccc(-c3nn[n-]n3)o2)O1 ZINC001603844320 1175651544 /nfs/dbraw/zinc/65/15/44/1175651544.db2.gz AMIGXCMFENSMQJ-VAOFZXAKSA-N -1 1 292.295 1.316 20 0 CDADMM C[C@@H]1C[C@H](C)[C@H](C)N(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001603844570 1175651718 /nfs/dbraw/zinc/65/17/18/1175651718.db2.gz DCVHEWQGCHCKCM-UTLUCORTSA-N -1 1 273.344 1.528 20 0 CDADMM C[C@@H]1C[C@H](C)[C@H](C)N(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001603844570 1175651722 /nfs/dbraw/zinc/65/17/22/1175651722.db2.gz DCVHEWQGCHCKCM-UTLUCORTSA-N -1 1 273.344 1.528 20 0 CDADMM C[C@H]1C[C@@H]1C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001603865269 1175659362 /nfs/dbraw/zinc/65/93/62/1175659362.db2.gz QEBMMPHQSSXWNI-WDSKDSINSA-N -1 1 265.298 1.022 20 0 CDADMM C[C@H]1C[C@@H]1C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001603865269 1175659365 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/nfs/dbraw/zinc/00/53/09/1174005309.db2.gz AZYGBJNDUYTWIM-UHFFFAOYSA-N -1 1 297.365 1.330 20 0 CDADMM O=C(N=S1(=O)CCCC1)c1ccsc1-c1nn[n-]n1 ZINC001592946886 1174005316 /nfs/dbraw/zinc/00/53/16/1174005316.db2.gz AZYGBJNDUYTWIM-UHFFFAOYSA-N -1 1 297.365 1.330 20 0 CDADMM O=C(NCCC(F)F)c1cccc(F)c1-c1nnn[n-]1 ZINC001593055892 1174019258 /nfs/dbraw/zinc/01/92/58/1174019258.db2.gz ANGIFTVCGPANPT-UHFFFAOYSA-N -1 1 285.229 1.391 20 0 CDADMM O=C(NCCC(F)F)c1cccc(F)c1-c1nn[n-]n1 ZINC001593055892 1174019266 /nfs/dbraw/zinc/01/92/66/1174019266.db2.gz ANGIFTVCGPANPT-UHFFFAOYSA-N -1 1 285.229 1.391 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)C(F)=C1CCCC1 ZINC001593196293 1174032125 /nfs/dbraw/zinc/03/21/25/1174032125.db2.gz MREJYJUQXVDBSC-UHFFFAOYSA-N -1 1 277.263 1.326 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)C(F)=C1CCCC1 ZINC001593196293 1174032129 /nfs/dbraw/zinc/03/21/29/1174032129.db2.gz MREJYJUQXVDBSC-UHFFFAOYSA-N -1 1 277.263 1.326 20 0 CDADMM O=C(OC1CCSCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593281017 1174049831 /nfs/dbraw/zinc/04/98/31/1174049831.db2.gz NQBCCDDEUFLDER-UHFFFAOYSA-N -1 1 291.336 1.314 20 0 CDADMM O=C(OC1CCSCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593281017 1174049834 /nfs/dbraw/zinc/04/98/34/1174049834.db2.gz NQBCCDDEUFLDER-UHFFFAOYSA-N -1 1 291.336 1.314 20 0 CDADMM O=C(OCC[C@@H]1CCCO1)c1csc(-c2nnn[n-]2)c1 ZINC001593287752 1174053091 /nfs/dbraw/zinc/05/30/91/1174053091.db2.gz PJYVXBSRYFWYIN-VIFPVBQESA-N -1 1 294.336 1.654 20 0 CDADMM O=C(OCC[C@@H]1CCCO1)c1csc(-c2nn[n-]n2)c1 ZINC001593287752 1174053096 /nfs/dbraw/zinc/05/30/96/1174053096.db2.gz PJYVXBSRYFWYIN-VIFPVBQESA-N -1 1 294.336 1.654 20 0 CDADMM O=C(OCCOC1CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593290776 1174055320 /nfs/dbraw/zinc/05/53/20/1174055320.db2.gz QUCRNFYJSFQAFR-UHFFFAOYSA-N -1 1 292.270 1.342 20 0 CDADMM O=C(OCCOC1CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593290776 1174055327 /nfs/dbraw/zinc/05/53/27/1174055327.db2.gz QUCRNFYJSFQAFR-UHFFFAOYSA-N -1 1 292.270 1.342 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CSC[C@@H]1COCCO1 ZINC001593550915 1174123895 /nfs/dbraw/zinc/12/38/95/1174123895.db2.gz DSPNBBGIFGHAAQ-VIFPVBQESA-N -1 1 282.325 1.108 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1CSC[C@@H]1COCCO1 ZINC001593550915 1174123900 /nfs/dbraw/zinc/12/39/00/1174123900.db2.gz DSPNBBGIFGHAAQ-VIFPVBQESA-N -1 1 282.325 1.108 20 0 CDADMM Cc1cc(C(=O)[O-])nc(N[C@H](C)c2n[nH]c(C(C)C)n2)n1 ZINC001600128264 1174368942 /nfs/dbraw/zinc/36/89/42/1174368942.db2.gz YQCSJQHNZBGICY-MRVPVSSYSA-N -1 1 290.327 1.898 20 0 CDADMM CC(C)(NCc1nc(C(=O)[O-])no1)C1CCOCC1 ZINC001573485138 1170536009 /nfs/dbraw/zinc/53/60/09/1170536009.db2.gz UOJSAIFPDPQSTG-UHFFFAOYSA-N -1 1 269.301 1.063 20 0 CDADMM CCn1ncnc1CN[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001610085750 1126239199 /nfs/dbraw/zinc/23/91/99/1126239199.db2.gz HDYLESXSMDWZGX-GFCCVEGCSA-N -1 1 292.314 1.223 20 0 CDADMM CS[C@H]1CCC[C@@H](NCc2nc(C(=O)[O-])n[nH]2)C1 ZINC001574097937 1170877408 /nfs/dbraw/zinc/87/74/08/1170877408.db2.gz VGQINZHMNIXPNN-SFYZADRCSA-N -1 1 270.358 1.267 20 0 CDADMM Cn1cc(CN2C3CCC(CC3)[C@H]2C(=O)[O-])c(Cl)n1 ZINC001574212160 1170920408 /nfs/dbraw/zinc/92/04/08/1170920408.db2.gz LKWQIDBLRBBRTN-RFBVYIQQSA-N -1 1 283.759 1.901 20 0 CDADMM C[C@H]1CC[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001576143520 1171341642 /nfs/dbraw/zinc/34/16/42/1171341642.db2.gz UOFVAWGUUBCDSQ-IONNQARKSA-N -1 1 292.368 1.526 20 0 CDADMM CC[C@@H]1C[C@H]1Cn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC001578439107 1171912318 /nfs/dbraw/zinc/91/23/18/1171912318.db2.gz XQMBYYPAIKAQTJ-ZJUUUORDSA-N -1 1 274.328 1.086 20 0 CDADMM CNC(=O)CCCC(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000616331833 341987745 /nfs/dbraw/zinc/98/77/45/341987745.db2.gz RTOLIZSCTWJEJJ-UHFFFAOYSA-N -1 1 292.364 1.415 20 0 CDADMM O=C(NCCOCCF)c1c(F)ccc([O-])c1F ZINC000621092425 342504085 /nfs/dbraw/zinc/50/40/85/342504085.db2.gz PONNEVKOUNZQQT-UHFFFAOYSA-N -1 1 263.215 1.386 20 0 CDADMM C[C@H](C(=O)N=c1cc(-c2cccs2)[n-][nH]1)n1cccn1 ZINC000589690786 342512624 /nfs/dbraw/zinc/51/26/24/342512624.db2.gz USIHFMOQAYOLKX-SECBINFHSA-N -1 1 287.348 1.956 20 0 CDADMM COC(=O)[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)C1CC1 ZINC000601266562 342547208 /nfs/dbraw/zinc/54/72/08/342547208.db2.gz BZHLEUNSARUQCL-ZDUSSCGKSA-N -1 1 297.738 1.656 20 0 CDADMM O=S(=O)(C[C@@H]1CCCO1)[N-]c1cnn(CC(F)F)c1 ZINC000172370037 365529148 /nfs/dbraw/zinc/52/91/48/365529148.db2.gz PQSZWKCJLHZZLF-VIFPVBQESA-N -1 1 295.311 1.069 20 0 CDADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CC=CCC2)o1 ZINC000172394673 365534670 /nfs/dbraw/zinc/53/46/70/365534670.db2.gz GMTQXKQJNHSHCU-VIFPVBQESA-N -1 1 284.337 1.026 20 0 CDADMM CCC[C@H](NC(=O)[C@H](N)c1ccccc1C)C(=O)[O-] ZINC000650781723 398201010 /nfs/dbraw/zinc/20/10/10/398201010.db2.gz NRPDEBISMBERNX-NWDGAFQWSA-N -1 1 264.325 1.364 20 0 CDADMM C[C@@H]1CCC[C@H](C)N1C(=O)CNC1(C(=O)[O-])CCCC1 ZINC000533203226 282101852 /nfs/dbraw/zinc/10/18/52/282101852.db2.gz RHWVMQKTKAFDGH-TXEJJXNPSA-N -1 1 282.384 1.763 20 0 CDADMM CCc1nc([C@@H](C)NC(=O)c2cc(F)c([O-])c(F)c2)n[nH]1 ZINC000273837817 192328825 /nfs/dbraw/zinc/32/88/25/192328825.db2.gz IQKJYWNTDXBWSH-ZCFIWIBFSA-N -1 1 296.277 1.842 20 0 CDADMM CC(C)C[C@@H](CNC(=O)[C@@H](N)c1ccccc1)C(=O)[O-] ZINC000094703980 342063831 /nfs/dbraw/zinc/06/38/31/342063831.db2.gz NKZFYVDGSXMJSX-STQMWFEESA-N -1 1 278.352 1.550 20 0 CDADMM COC[C@H]1CCCCN(C(=O)c2cncc([O-])c2)C1 ZINC000354761628 365673605 /nfs/dbraw/zinc/67/36/05/365673605.db2.gz YPWIKQPIBXZOHI-NSHDSACASA-N -1 1 264.325 1.676 20 0 CDADMM CCc1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])n[nH]1 ZINC000136490273 361835412 /nfs/dbraw/zinc/83/54/12/361835412.db2.gz KKDHIOYENMIUAF-JTQLQIEISA-N -1 1 251.286 1.051 20 0 CDADMM CCc1nc(S[C@@H](C(N)=O)C(C)C)[n-]c(=O)c1C ZINC000567522250 539091566 /nfs/dbraw/zinc/09/15/66/539091566.db2.gz KIHMREXEIHDARE-SECBINFHSA-N -1 1 269.370 1.655 20 0 CDADMM CCOc1cncc(=NC(=O)c2cc(COC)cs2)[n-]1 ZINC000622888571 342266159 /nfs/dbraw/zinc/26/61/59/342266159.db2.gz KPIYAUZZPSDWBA-UHFFFAOYSA-N -1 1 293.348 1.757 20 0 CDADMM O=C(NCc1nn[n-]n1)c1cc(F)c(Cl)cc1F ZINC000167628569 539130554 /nfs/dbraw/zinc/13/05/54/539130554.db2.gz MBXIQBDQNJFKRO-UHFFFAOYSA-N -1 1 273.630 1.061 20 0 CDADMM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1nn[n-]n1 ZINC000044927402 342276825 /nfs/dbraw/zinc/27/68/25/342276825.db2.gz IFECWAIJCAZEEI-QMMMGPOBSA-N -1 1 295.730 1.245 20 0 CDADMM CC(=O)c1ccc(C(=O)NC(C)(C)c2nn[n-]n2)s1 ZINC000354782051 365689066 /nfs/dbraw/zinc/68/90/66/365689066.db2.gz BIPNBFAWQJCUEK-UHFFFAOYSA-N -1 1 279.325 1.129 20 0 CDADMM CN1CC[C@H](NC(=O)c2ccc3ccccc3c2[O-])CC1=O ZINC000193169601 539157620 /nfs/dbraw/zinc/15/76/20/539157620.db2.gz YCWNHADEPPCGGN-LBPRGKRZSA-N -1 1 298.342 1.896 20 0 CDADMM C[C@H](CC(=O)NC(C)(C)c1nn[n-]n1)c1cccc(F)c1 ZINC000354791272 365692718 /nfs/dbraw/zinc/69/27/18/365692718.db2.gz OLOXEHRMKRBKHT-SECBINFHSA-N -1 1 291.330 1.884 20 0 CDADMM O=C(CCc1ncc(-c2ccccc2)o1)NCc1nn[n-]n1 ZINC000599335029 344022226 /nfs/dbraw/zinc/02/22/26/344022226.db2.gz XFRJHPDHRALKAS-UHFFFAOYSA-N -1 1 298.306 1.104 20 0 CDADMM CCC[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1 ZINC000595301217 343028379 /nfs/dbraw/zinc/02/83/79/343028379.db2.gz ZDNOQDXJDVMFGD-UHFFFAOYSA-N -1 1 261.299 1.063 20 0 CDADMM COC(=O)c1coc(S(=O)(=O)[N-][C@]2(C)CC2(C)C)c1 ZINC000595360684 343039740 /nfs/dbraw/zinc/03/97/40/343039740.db2.gz CSYHUYUFCCVUTK-GFCCVEGCSA-N -1 1 287.337 1.533 20 0 CDADMM CC[C@H](O)C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000126196131 187223307 /nfs/dbraw/zinc/22/33/07/187223307.db2.gz ZTULOMUINFDQSJ-QMMMGPOBSA-N -1 1 265.281 1.014 20 0 CDADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)NC1CC1 ZINC000351889641 362106891 /nfs/dbraw/zinc/10/68/91/362106891.db2.gz UQKDOPXEXHNKIZ-UHFFFAOYSA-N -1 1 275.280 1.491 20 0 CDADMM C[C@H](CN(C)C(=O)[C@H]1CCC(C)(C)C1)c1nn[n-]n1 ZINC000330116652 362150478 /nfs/dbraw/zinc/15/04/78/362150478.db2.gz VTVCAWGRQRGCAA-ZJUUUORDSA-N -1 1 265.361 1.588 20 0 CDADMM CCC[C@H]1[C@@H](C)CCCN1C(=O)CCCc1nn[n-]n1 ZINC000635618894 362175702 /nfs/dbraw/zinc/17/57/02/362175702.db2.gz FBTADARDSBLQRQ-RYUDHWBXSA-N -1 1 279.388 1.950 20 0 CDADMM COc1cccc(CCC(=O)NC(C)(C)c2nn[n-]n2)c1 ZINC000095137965 342430559 /nfs/dbraw/zinc/43/05/59/342430559.db2.gz DCIIFQQPKBWYTI-UHFFFAOYSA-N -1 1 289.339 1.192 20 0 CDADMM Cc1occc1-c1nnc(SCc2nn[n-]n2)o1 ZINC000095209539 342430702 /nfs/dbraw/zinc/43/07/02/342430702.db2.gz YBWWVFNEDVSTJV-UHFFFAOYSA-N -1 1 264.270 1.443 20 0 CDADMM c1csc(Cc2nc(SCc3nn[n-]n3)n[nH]2)c1 ZINC000095235953 342431069 /nfs/dbraw/zinc/43/10/69/342431069.db2.gz LERNFJLCACOIKQ-UHFFFAOYSA-N -1 1 279.354 1.262 20 0 CDADMM O=C(c1ncccc1[O-])N1CCSC2(CCOCC2)C1 ZINC000274664741 365755183 /nfs/dbraw/zinc/75/51/83/365755183.db2.gz QPINVAOCSWWDHJ-UHFFFAOYSA-N -1 1 294.376 1.525 20 0 CDADMM CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)c1ncccc1[O-] ZINC000598477149 343810659 /nfs/dbraw/zinc/81/06/59/343810659.db2.gz DOOMTLBMHALCND-IAQYHMDHSA-N -1 1 292.335 1.639 20 0 CDADMM C[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)C2CC2)co1 ZINC000536566271 282324975 /nfs/dbraw/zinc/32/49/75/282324975.db2.gz GAONQZYKEHUQEI-UHFFFAOYSA-N -1 1 286.353 1.106 20 0 CDADMM CC(C)C[C@@H]1CCCN(C(=O)CCCc2nn[n-]n2)C1 ZINC000635679472 362361363 /nfs/dbraw/zinc/36/13/63/362361363.db2.gz ASENWAQBVLSPMM-LBPRGKRZSA-N -1 1 279.388 1.807 20 0 CDADMM CCS[C@@H]1CCC[C@@H]1NC(=O)CCCc1nn[n-]n1 ZINC000602116455 344341336 /nfs/dbraw/zinc/34/13/36/344341336.db2.gz NWKPIFQJQNQSOB-VHSXEESVSA-N -1 1 283.401 1.313 20 0 CDADMM C[C@@H]1CCN(C(=O)CCCc2nn[n-]n2)C[C@@H](C)C1 ZINC000635728964 362466446 /nfs/dbraw/zinc/46/64/46/362466446.db2.gz YJVOVHJVQHZQIJ-MNOVXSKESA-N -1 1 265.361 1.417 20 0 CDADMM COC(=O)[C@@H](C)CNC(=O)N=c1[n-]sc2ccccc21 ZINC000603051853 344699035 /nfs/dbraw/zinc/69/90/35/344699035.db2.gz MFHTVJKYKUFRDJ-QMMMGPOBSA-N -1 1 293.348 1.649 20 0 CDADMM O=C(COc1ccc2ccccc2c1)NCc1nn[n-]n1 ZINC000095251207 344708793 /nfs/dbraw/zinc/70/87/93/344708793.db2.gz AQGDPQIETKMGSC-UHFFFAOYSA-N -1 1 283.291 1.048 20 0 CDADMM C[C@H]1C[C@@H](Nc2ncncc2C(=O)[O-])CC[N@H+]1C ZINC000302439074 344868173 /nfs/dbraw/zinc/86/81/73/344868173.db2.gz VXWLFOBIZVIRND-IUCAKERBSA-N -1 1 250.302 1.069 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XNQUVBHUIAENID-CMDGGOBGSA-N -1 1 277.324 1.838 20 0 CDADMM C[C@H](CN(C)C(=O)CCCc1ccsc1)c1nn[n-]n1 ZINC000774004089 575847938 /nfs/dbraw/zinc/84/79/38/575847938.db2.gz KKNOLXJJYUCFJL-SNVBAGLBSA-N -1 1 293.396 1.846 20 0 CDADMM CCc1cc(CNC(=O)NCc2ccc(C(=O)[O-])o2)n[nH]1 ZINC000737255168 575911783 /nfs/dbraw/zinc/91/17/83/575911783.db2.gz XGLDZRTUCMQBAH-UHFFFAOYSA-N -1 1 292.295 1.263 20 0 CDADMM CN(C)[C@H](CNC(=O)CCNC(=O)[O-])c1ccsc1 ZINC000737358277 575946287 /nfs/dbraw/zinc/94/62/87/575946287.db2.gz KKXXJXVPAYMUQS-SNVBAGLBSA-N -1 1 285.369 1.125 20 0 CDADMM Cc1cccc([C@H](C)C(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC000737390758 575952777 /nfs/dbraw/zinc/95/27/77/575952777.db2.gz UYJVJHPNIMGQGT-VIFPVBQESA-N -1 1 297.322 1.398 20 0 CDADMM CN(Cc1nc2ccccc2c(=O)n1C)C(C)(C)C(=O)[O-] ZINC000737497152 575975962 /nfs/dbraw/zinc/97/59/62/575975962.db2.gz YTROWARGQJKPII-UHFFFAOYSA-N -1 1 289.335 1.229 20 0 CDADMM Cc1nn(C)c(C)c1CCNc1cccc(-c2nnn[n-]2)n1 ZINC000737510130 575979771 /nfs/dbraw/zinc/97/97/71/575979771.db2.gz JOXGARJKTBNUIB-UHFFFAOYSA-N -1 1 298.354 1.267 20 0 CDADMM Cc1nn(C)c(C)c1CCNc1cccc(-c2nn[n-]n2)n1 ZINC000737510130 575979772 /nfs/dbraw/zinc/97/97/72/575979772.db2.gz JOXGARJKTBNUIB-UHFFFAOYSA-N -1 1 298.354 1.267 20 0 CDADMM CN1CCCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000737516576 575981110 /nfs/dbraw/zinc/98/11/10/575981110.db2.gz BVZFVCCLRKOWOM-KGLIPLIRSA-N -1 1 290.363 1.283 20 0 CDADMM CC(C)(NCC(=O)N[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000737598289 575999922 /nfs/dbraw/zinc/99/99/22/575999922.db2.gz PQSJCRUTKAVVIW-ZDUSSCGKSA-N -1 1 290.363 1.633 20 0 CDADMM C[C@@H](CC(=O)OCc1nc(=O)n(C)[n-]1)c1cccc(F)c1 ZINC000765477691 576027556 /nfs/dbraw/zinc/02/75/56/576027556.db2.gz DNRWNMBGUHZWNP-VIFPVBQESA-N -1 1 293.298 1.485 20 0 CDADMM O=C(NCc1ccsc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738125332 576040293 /nfs/dbraw/zinc/04/02/93/576040293.db2.gz ZRKYZBQBJBZXHS-UHFFFAOYSA-N -1 1 286.320 1.253 20 0 CDADMM O=C(NCc1ccsc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738125332 576040297 /nfs/dbraw/zinc/04/02/97/576040297.db2.gz ZRKYZBQBJBZXHS-UHFFFAOYSA-N -1 1 286.320 1.253 20 0 CDADMM c1ccc2c(c1)CN(c1nccnc1-c1nnn[n-]1)CCO2 ZINC000738443078 576075301 /nfs/dbraw/zinc/07/53/01/576075301.db2.gz VGJDWOBYLSTYJK-UHFFFAOYSA-N -1 1 295.306 1.056 20 0 CDADMM c1ccc2c(c1)CN(c1nccnc1-c1nn[n-]n1)CCO2 ZINC000738443078 576075304 /nfs/dbraw/zinc/07/53/04/576075304.db2.gz VGJDWOBYLSTYJK-UHFFFAOYSA-N -1 1 295.306 1.056 20 0 CDADMM O=C([O-])CCN1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000738587853 576092203 /nfs/dbraw/zinc/09/22/03/576092203.db2.gz SWCWHDNBJRHZJE-CYBMUJFWSA-N -1 1 277.320 1.669 20 0 CDADMM NC(CN1CCCCCC1)=NOCc1occc1C(=O)[O-] ZINC000739183651 576178797 /nfs/dbraw/zinc/17/87/97/576178797.db2.gz HJSLPBKMCUJFPK-UHFFFAOYSA-N -1 1 295.339 1.852 20 0 CDADMM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1cccnc1 ZINC000740143639 576430568 /nfs/dbraw/zinc/43/05/68/576430568.db2.gz IUYBDKWYFZORGQ-UHFFFAOYSA-N -1 1 296.279 1.720 20 0 CDADMM O=C(c1cc(Cl)cs1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000760306659 576474516 /nfs/dbraw/zinc/47/45/16/576474516.db2.gz HQWHTPWOQOPNCV-SSDOTTSWSA-N -1 1 299.743 1.128 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC1CCOCC1 ZINC000747377879 576867537 /nfs/dbraw/zinc/86/75/37/576867537.db2.gz VFYIZAMGCVIELA-UHFFFAOYSA-N -1 1 293.367 1.770 20 0 CDADMM CN(Cc1nc(=O)n(C)[n-]1)c1ccc2ccccc2c1 ZINC000754001326 576873001 /nfs/dbraw/zinc/87/30/01/576873001.db2.gz RIAZMQRGDGORTP-UHFFFAOYSA-N -1 1 268.320 1.898 20 0 CDADMM O=C(Nc1ccncc1[O-])c1cnn(-c2ccc(F)cc2)n1 ZINC000748312860 576904934 /nfs/dbraw/zinc/90/49/34/576904934.db2.gz PHOOWMSTZJELKH-UHFFFAOYSA-N -1 1 299.265 1.181 20 0 CDADMM COCC[C@@H](C)Sc1nc([O-])cc(=O)n1CCOC ZINC000755941005 576969993 /nfs/dbraw/zinc/96/99/93/576969993.db2.gz RIQQNGYVORWWCA-SECBINFHSA-N -1 1 288.369 1.112 20 0 CDADMM CO[C@@H]1CCN(Cn2[n-]c(-c3ccccn3)nc2=S)C1 ZINC000751942293 577076162 /nfs/dbraw/zinc/07/61/62/577076162.db2.gz VXDZMPFSSIDMOM-SNVBAGLBSA-N -1 1 291.380 1.681 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(Cl)nc2)n1 ZINC000752975449 577138010 /nfs/dbraw/zinc/13/80/10/577138010.db2.gz JHCQZQKBQDZUIZ-UHFFFAOYSA-N -1 1 294.698 1.887 20 0 CDADMM O=C([O-])C[C@@H](NC(=O)CCc1c[nH]nn1)c1cccs1 ZINC001601898000 1175057656 /nfs/dbraw/zinc/05/76/56/1175057656.db2.gz GAHIHIIUOQULIA-SECBINFHSA-N -1 1 294.336 1.131 20 0 CDADMM O=C([O-])C[C@@H](NC(=O)CCc1cnn[nH]1)c1cccs1 ZINC001601898000 1175057662 /nfs/dbraw/zinc/05/76/62/1175057662.db2.gz GAHIHIIUOQULIA-SECBINFHSA-N -1 1 294.336 1.131 20 0 CDADMM O=C([O-])C[C@]1(NCc2cn(C3CC3)cn2)CCCOC1 ZINC001601935768 1175073251 /nfs/dbraw/zinc/07/32/51/1175073251.db2.gz CJHQRWOCVDUVSD-CQSZACIVSA-N -1 1 279.340 1.332 20 0 CDADMM O=C([O-])C[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC001601953640 1175085520 /nfs/dbraw/zinc/08/55/20/1175085520.db2.gz IIZDFXCXAPLOEM-QMMMGPOBSA-N -1 1 269.322 1.885 20 0 CDADMM CCCn1cc(Nc2nccnc2-c2nnn[n-]2)cn1 ZINC000095171883 599066690 /nfs/dbraw/zinc/06/66/90/599066690.db2.gz AWVYIWQZDVFQBH-UHFFFAOYSA-N -1 1 271.288 1.007 20 0 CDADMM CCCn1cc(Nc2nccnc2-c2nn[n-]n2)cn1 ZINC000095171883 599066692 /nfs/dbraw/zinc/06/66/92/599066692.db2.gz AWVYIWQZDVFQBH-UHFFFAOYSA-N -1 1 271.288 1.007 20 0 CDADMM O[C@H](CCNc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000823672098 599085905 /nfs/dbraw/zinc/08/59/05/599085905.db2.gz AKHIIZURKMQMAW-CYBMUJFWSA-N -1 1 296.334 1.797 20 0 CDADMM O[C@H](CCNc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000823672098 599085908 /nfs/dbraw/zinc/08/59/08/599085908.db2.gz AKHIIZURKMQMAW-CYBMUJFWSA-N -1 1 296.334 1.797 20 0 CDADMM CC[C@@](C)(CC(=O)[O-])NCc1nc([C@@H](C)OC)no1 ZINC000828671871 602220394 /nfs/dbraw/zinc/22/03/94/602220394.db2.gz HVKHXMVDSYOZJR-PELKAZGASA-N -1 1 271.317 1.510 20 0 CDADMM CCc1cnc(CN2CCC[C@@H](CC(=O)[O-])C2)o1 ZINC000700282138 597074108 /nfs/dbraw/zinc/07/41/08/597074108.db2.gz JVVDHJAGHSAQQQ-JTQLQIEISA-N -1 1 252.314 1.924 20 0 CDADMM Cc1ccc(-c2n[nH]c(NC(=O)CSCC(=O)[O-])n2)o1 ZINC000818858765 597226047 /nfs/dbraw/zinc/22/60/47/597226047.db2.gz FJLMPXKSIJNCMZ-UHFFFAOYSA-N -1 1 296.308 1.129 20 0 CDADMM COc1ccc(NC(=O)CN2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000062134383 597536206 /nfs/dbraw/zinc/53/62/06/597536206.db2.gz IUNKGWIYAXUQFS-SNVBAGLBSA-N -1 1 278.308 1.040 20 0 CDADMM C[C@@H](CC(=O)[O-])NCc1ncc(Br)s1 ZINC000714927889 597719160 /nfs/dbraw/zinc/71/91/60/597719160.db2.gz RSLQBIQBDXUFMM-YFKPBYRVSA-N -1 1 279.159 1.858 20 0 CDADMM CCS(=O)(=O)C[C@@H](C)NCc1ccc(C(=O)[O-])cc1 ZINC000820391934 598179949 /nfs/dbraw/zinc/17/99/49/598179949.db2.gz QSNXGPCZIXFLJI-SNVBAGLBSA-N -1 1 285.365 1.298 20 0 CDADMM CC(C)[C@@H](NCC(=O)N(C)[C@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000820235504 598189552 /nfs/dbraw/zinc/18/95/52/598189552.db2.gz MUAYXZWAKALRMX-SGMGOOAPSA-N -1 1 284.400 1.722 20 0 CDADMM Cc1ncc(CNCc2cccc(C(=O)[O-])c2)cn1 ZINC000821190257 598194291 /nfs/dbraw/zinc/19/42/91/598194291.db2.gz SBAIMJASHFTPIF-UHFFFAOYSA-N -1 1 257.293 1.773 20 0 CDADMM Fc1ccc(CCNc2nccnc2-c2nnn[n-]2)cc1 ZINC000095146252 598335705 /nfs/dbraw/zinc/33/57/05/598335705.db2.gz DAWGSRWPWOKRIH-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM Fc1ccc(CCNc2nccnc2-c2nn[n-]n2)cc1 ZINC000095146252 598335707 /nfs/dbraw/zinc/33/57/07/598335707.db2.gz DAWGSRWPWOKRIH-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM Cc1cccc(CN(C)c2nccnc2-c2nnn[n-]2)c1 ZINC000095325394 598346162 /nfs/dbraw/zinc/34/61/62/598346162.db2.gz GYUFTSJOVOUZOK-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1cccc(CN(C)c2nccnc2-c2nn[n-]n2)c1 ZINC000095325394 598346164 /nfs/dbraw/zinc/34/61/64/598346164.db2.gz GYUFTSJOVOUZOK-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1cnn(CCNCc2cc(C)c(C(=O)[O-])o2)c1 ZINC000235948111 599918265 /nfs/dbraw/zinc/91/82/65/599918265.db2.gz JCQZOLSARPHDKJ-UHFFFAOYSA-N -1 1 263.297 1.581 20 0 CDADMM CCC[C@](C)(NCC(=O)Nc1ccccc1OC)C(=O)[O-] ZINC000036808256 600150868 /nfs/dbraw/zinc/15/08/68/600150868.db2.gz SIUGCYKLLBVGHQ-HNNXBMFYSA-N -1 1 294.351 1.867 20 0 CDADMM Cc1[nH]ncc1C(=O)Nc1cccc(C(=O)[O-])c1O ZINC000124568306 600705709 /nfs/dbraw/zinc/70/57/09/600705709.db2.gz NJWCENXBBZARRN-UHFFFAOYSA-N -1 1 261.237 1.374 20 0 CDADMM CCn1ccnc1CN(CCC(=O)[O-])C1CCOCC1 ZINC000830424312 600858867 /nfs/dbraw/zinc/85/88/67/600858867.db2.gz PWEGDBWXBHJYDB-UHFFFAOYSA-N -1 1 281.356 1.359 20 0 CDADMM O=C([O-])[C@@H](NC(=O)c1n[nH]c2ccccc21)c1ccccn1 ZINC000833127253 600917549 /nfs/dbraw/zinc/91/75/49/600917549.db2.gz WRHAGFOYUUBZJT-ZDUSSCGKSA-N -1 1 296.286 1.514 20 0 CDADMM CN(Cc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000095294886 607481665 /nfs/dbraw/zinc/48/16/65/607481665.db2.gz JXGUAANVMBCUOR-UHFFFAOYSA-N -1 1 266.308 1.898 20 0 CDADMM CN(Cc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000095294886 607481666 /nfs/dbraw/zinc/48/16/66/607481666.db2.gz JXGUAANVMBCUOR-UHFFFAOYSA-N -1 1 266.308 1.898 20 0 CDADMM O=C([O-])C[C@H]1C(=O)NCCN1CCC1CCCCC1 ZINC000125384232 600983195 /nfs/dbraw/zinc/98/31/95/600983195.db2.gz MIZKQBCFNFFQIT-LBPRGKRZSA-N -1 1 268.357 1.232 20 0 CDADMM O=C([O-])[C@@H](c1ccccc1)N1CCN(CCCCO)CC1 ZINC000833173621 601044394 /nfs/dbraw/zinc/04/43/94/601044394.db2.gz SRSNBTVOAVUWIQ-OAHLLOKOSA-N -1 1 292.379 1.202 20 0 CDADMM CCN(CCCO)CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000829709341 601045261 /nfs/dbraw/zinc/04/52/61/601045261.db2.gz GOOQZQXELADDPH-UHFFFAOYSA-N -1 1 294.351 1.336 20 0 CDADMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CCO)CC2 ZINC000832102377 601154073 /nfs/dbraw/zinc/15/40/73/601154073.db2.gz AJUJTDLLEONEKP-LBPRGKRZSA-N -1 1 295.335 1.070 20 0 CDADMM Cc1ccsc1CNC(=O)CN[C@](C)(C(=O)[O-])C1CC1 ZINC000832984371 601174809 /nfs/dbraw/zinc/17/48/09/601174809.db2.gz NWWGJGBSXHSEAE-AWEZNQCLSA-N -1 1 296.392 1.516 20 0 CDADMM O=C([O-])c1coc(CN2CCC(O[C@@H]3CCOC3)CC2)c1 ZINC000833340586 601182463 /nfs/dbraw/zinc/18/24/63/601182463.db2.gz YFQFOGBTNLUBER-CYBMUJFWSA-N -1 1 295.335 1.748 20 0 CDADMM C[C@H](NC(=O)c1c(O)cc(Cl)cc1Cl)C(=O)[O-] ZINC000820130072 601210292 /nfs/dbraw/zinc/21/02/92/601210292.db2.gz UTRLXPDUOYXHEG-BYPYZUCNSA-N -1 1 278.091 1.902 20 0 CDADMM CCN1CCCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000829771110 601311010 /nfs/dbraw/zinc/31/10/10/601311010.db2.gz SATZUVVLVHYPMH-LLVKDONJSA-N -1 1 279.340 1.536 20 0 CDADMM O=C([O-])[C@@H]1CCCN(CN2C(=O)[C@@H]3CCCCC[C@@H]32)C1 ZINC000833189186 601398568 /nfs/dbraw/zinc/39/85/68/601398568.db2.gz VYVWEEIGWDTXJT-UPJWGTAASA-N -1 1 280.368 1.532 20 0 CDADMM O=C([O-])[C@H]1CCCN(CN2C(=O)[C@H]3CCCCC[C@@H]32)C1 ZINC000833292972 601399923 /nfs/dbraw/zinc/39/99/23/601399923.db2.gz VYVWEEIGWDTXJT-AVGNSLFASA-N -1 1 280.368 1.532 20 0 CDADMM O=C([O-])[C@]1(F)CCN(CCC(=O)Nc2ccc(F)cc2)C1 ZINC000833099739 601448818 /nfs/dbraw/zinc/44/88/18/601448818.db2.gz GFAWIQGCCWPMTG-AWEZNQCLSA-N -1 1 298.289 1.653 20 0 CDADMM O=C([O-])C[C@H]1CN(CCCOCC(F)(F)F)CCO1 ZINC000091296720 601456845 /nfs/dbraw/zinc/45/68/45/601456845.db2.gz JTYDNMZIVQHZKQ-VIFPVBQESA-N -1 1 285.262 1.131 20 0 CDADMM CC[C@@H](C)NC(=O)CNC1(C(=O)[O-])CCC(CC)CC1 ZINC000829101166 601497123 /nfs/dbraw/zinc/49/71/23/601497123.db2.gz IEODZJORCQZERL-XIKARTHZSA-N -1 1 284.400 1.914 20 0 CDADMM Cc1ncc(C(=O)N(CCC(=O)[O-])Cc2ccncc2)[nH]1 ZINC000832994928 601562545 /nfs/dbraw/zinc/56/25/45/601562545.db2.gz QFDPOUXSIIJCHD-UHFFFAOYSA-N -1 1 288.307 1.230 20 0 CDADMM CCC[C@](C)(NC(=O)Cc1cc(C)n[nH]1)C(=O)[O-] ZINC000829194010 601670645 /nfs/dbraw/zinc/67/06/45/601670645.db2.gz QXUIRUNBXYUSSZ-LBPRGKRZSA-N -1 1 253.302 1.020 20 0 CDADMM Cc1cc(CC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)[nH]n1 ZINC000832881450 601789005 /nfs/dbraw/zinc/78/90/05/601789005.db2.gz PYAIYGVRDZTEBS-CYBMUJFWSA-N -1 1 279.340 1.410 20 0 CDADMM COC(=O)c1sccc1CN1CC[C@H](C(=O)[O-])C1 ZINC000818528019 601807366 /nfs/dbraw/zinc/80/73/66/601807366.db2.gz DNIWLKRFPHBAOY-VIFPVBQESA-N -1 1 269.322 1.441 20 0 CDADMM COC(=O)c1sccc1CN1CC[C@@H](C(=O)[O-])C1 ZINC000818528018 601807369 /nfs/dbraw/zinc/80/73/69/601807369.db2.gz DNIWLKRFPHBAOY-SECBINFHSA-N -1 1 269.322 1.441 20 0 CDADMM O=C([O-])c1cc(CN[C@H](CO)c2ccc(F)cc2)c[nH]1 ZINC000833296541 601834844 /nfs/dbraw/zinc/83/48/44/601834844.db2.gz GYGQQPLIJJDZHF-CYBMUJFWSA-N -1 1 278.283 1.675 20 0 CDADMM O=C([O-])c1ccc(CN2[C@@H]3CC[C@H]2CNC(=O)C3)s1 ZINC000833354484 601962779 /nfs/dbraw/zinc/96/27/79/601962779.db2.gz FTBHUGUKVACVIF-BDAKNGLRSA-N -1 1 280.349 1.299 20 0 CDADMM O=C([O-])[C@H](OC(=O)CCc1nc[nH]n1)c1ccccc1 ZINC000833104185 602089288 /nfs/dbraw/zinc/08/92/88/602089288.db2.gz CNMKQOOWXCUYAR-GFCCVEGCSA-N -1 1 275.264 1.106 20 0 CDADMM C[C@@H](CO)CSCc1ccnc(-c2nnn[n-]2)c1 ZINC000824442057 607550236 /nfs/dbraw/zinc/55/02/36/607550236.db2.gz TYYNWAPNHMIXJG-QMMMGPOBSA-N -1 1 265.342 1.123 20 0 CDADMM C[C@@H](CO)CSCc1ccnc(-c2nn[n-]n2)c1 ZINC000824442057 607550238 /nfs/dbraw/zinc/55/02/38/607550238.db2.gz TYYNWAPNHMIXJG-QMMMGPOBSA-N -1 1 265.342 1.123 20 0 CDADMM C[C@@H](CC(=O)[O-])C(=O)N1CCN(C)CC12CCCCC2 ZINC000827261715 602177696 /nfs/dbraw/zinc/17/76/96/602177696.db2.gz AMPBRCUCGIQKKR-LBPRGKRZSA-N -1 1 282.384 1.574 20 0 CDADMM CC[C@@](C)(CC(=O)[O-])NC(=O)CN1CCC(C)CC1 ZINC000828628664 602391712 /nfs/dbraw/zinc/39/17/12/602391712.db2.gz PFCITCRMMBBPSE-AWEZNQCLSA-N -1 1 270.373 1.478 20 0 CDADMM Cn1nccc1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826366804 607619055 /nfs/dbraw/zinc/61/90/55/607619055.db2.gz YJDFLHVBFBOTDZ-UHFFFAOYSA-N -1 1 290.308 1.019 20 0 CDADMM Cn1nccc1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826366804 607619057 /nfs/dbraw/zinc/61/90/57/607619057.db2.gz YJDFLHVBFBOTDZ-UHFFFAOYSA-N -1 1 290.308 1.019 20 0 CDADMM CC(C)C[C@H](O)C[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000866838588 617180978 /nfs/dbraw/zinc/18/09/78/617180978.db2.gz MADGWNKJTUTJMS-QMMMGPOBSA-N -1 1 294.323 1.045 20 0 CDADMM CC(C)N(C)CC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000826930340 604312443 /nfs/dbraw/zinc/31/24/43/604312443.db2.gz IXOCAUYOKSWDCP-UHFFFAOYSA-N -1 1 256.327 1.725 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)[C@H](C)CN1C ZINC000820244236 604577884 /nfs/dbraw/zinc/57/78/84/604577884.db2.gz AAMCDDYLOSIQEI-GHMZBOCLSA-N -1 1 276.336 1.549 20 0 CDADMM C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000833621764 604580632 /nfs/dbraw/zinc/58/06/32/604580632.db2.gz GVRKPPHSZUUHQZ-AOOOYVTPSA-N -1 1 294.326 1.689 20 0 CDADMM O=C([O-])[C@@H]1CC12CCN(Cc1cncs1)CC2 ZINC000405481633 604646381 /nfs/dbraw/zinc/64/63/81/604646381.db2.gz JVGFDQTULRYOPY-JTQLQIEISA-N -1 1 252.339 1.830 20 0 CDADMM C[C@H]1[C@H](C)N(Cc2cc(C(=O)[O-])co2)CCN1C ZINC000833588465 604854642 /nfs/dbraw/zinc/85/46/42/604854642.db2.gz POSFQUADMGQCHC-UWVGGRQHSA-N -1 1 252.314 1.502 20 0 CDADMM C[C@@H]1C[C@H]1N1C[C@@H](NCc2ccc(C(=O)[O-])o2)CC1=O ZINC000833604998 605112442 /nfs/dbraw/zinc/11/24/42/605112442.db2.gz LZNLWBIRSAWJMR-WCABBAIRSA-N -1 1 278.308 1.077 20 0 CDADMM O=C([O-])[C@H]1CCC[N@@H+]1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000035302592 605238690 /nfs/dbraw/zinc/23/86/90/605238690.db2.gz HZTWMXCSWSSWAZ-GFCCVEGCSA-N -1 1 289.287 1.548 20 0 CDADMM O=C([O-])[C@H]1CCC[N@H+]1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000035302592 605238691 /nfs/dbraw/zinc/23/86/91/605238691.db2.gz HZTWMXCSWSSWAZ-GFCCVEGCSA-N -1 1 289.287 1.548 20 0 CDADMM CC(C)CCC(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC000833484153 605250572 /nfs/dbraw/zinc/25/05/72/605250572.db2.gz RHSXOYJQUDJHOC-LBPRGKRZSA-N -1 1 270.373 1.430 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CN(C)Cc2cccnc2)O1 ZINC000833584795 605376264 /nfs/dbraw/zinc/37/62/64/605376264.db2.gz RAGUCNUKLVPIKW-GFCCVEGCSA-N -1 1 262.309 1.661 20 0 CDADMM Cc1nc([C@@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)no1 ZINC000822437330 606215595 /nfs/dbraw/zinc/21/55/95/606215595.db2.gz ZIAPBRVJDFRLFT-JTQLQIEISA-N -1 1 298.310 1.295 20 0 CDADMM Cc1nc([C@@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)no1 ZINC000822437330 606215597 /nfs/dbraw/zinc/21/55/97/606215597.db2.gz ZIAPBRVJDFRLFT-JTQLQIEISA-N -1 1 298.310 1.295 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCCS1 ZINC000823294961 606293389 /nfs/dbraw/zinc/29/33/89/606293389.db2.gz ZMMQFQCVOSYKLG-JTQLQIEISA-N -1 1 291.336 1.406 20 0 CDADMM Cn1nccc1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822710091 606450682 /nfs/dbraw/zinc/45/06/82/606450682.db2.gz YOCYKTJXSSOINY-UHFFFAOYSA-N -1 1 290.718 1.261 20 0 CDADMM Cn1nccc1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822710091 606450684 /nfs/dbraw/zinc/45/06/84/606450684.db2.gz YOCYKTJXSSOINY-UHFFFAOYSA-N -1 1 290.718 1.261 20 0 CDADMM O=C(NC[C@H]1CCCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823175312 606529907 /nfs/dbraw/zinc/52/99/07/606529907.db2.gz FNBCELFNHPIECI-MRVPVSSYSA-N -1 1 293.352 1.085 20 0 CDADMM O=C(NC[C@H]1CCCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823175312 606529909 /nfs/dbraw/zinc/52/99/09/606529909.db2.gz FNBCELFNHPIECI-MRVPVSSYSA-N -1 1 293.352 1.085 20 0 CDADMM O=C(CC1CC1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822941050 606648143 /nfs/dbraw/zinc/64/81/43/606648143.db2.gz OFLWOCHFGIYYKH-UHFFFAOYSA-N -1 1 259.269 1.105 20 0 CDADMM O=C(CC1CC1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822941050 606648144 /nfs/dbraw/zinc/64/81/44/606648144.db2.gz OFLWOCHFGIYYKH-UHFFFAOYSA-N -1 1 259.269 1.105 20 0 CDADMM C[C@H](CCCO)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820242173 606732843 /nfs/dbraw/zinc/73/28/43/606732843.db2.gz LKVNYYNYFRZVTB-SSDOTTSWSA-N -1 1 282.735 1.488 20 0 CDADMM C[C@H](CCCO)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820242173 606732845 /nfs/dbraw/zinc/73/28/45/606732845.db2.gz LKVNYYNYFRZVTB-SSDOTTSWSA-N -1 1 282.735 1.488 20 0 CDADMM CC[C@@H](C)C(=O)COC(=O)c1sccc1-c1nn[n-]n1 ZINC000820859017 606751732 /nfs/dbraw/zinc/75/17/32/606751732.db2.gz AHGPLXSTZYECGN-SSDOTTSWSA-N -1 1 294.336 1.700 20 0 CDADMM CCCCO[C@@H](C)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821071759 607106311 /nfs/dbraw/zinc/10/63/11/607106311.db2.gz LTBRAMUBFOHMFO-ZETCQYMHSA-N -1 1 296.356 1.467 20 0 CDADMM CCCCO[C@@H](C)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821071759 607106313 /nfs/dbraw/zinc/10/63/13/607106313.db2.gz LTBRAMUBFOHMFO-ZETCQYMHSA-N -1 1 296.356 1.467 20 0 CDADMM Cc1nnc([C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)o1 ZINC000826335249 607902422 /nfs/dbraw/zinc/90/24/22/607902422.db2.gz FFLBLGHAVLHXGO-ZCFIWIBFSA-N -1 1 272.272 1.126 20 0 CDADMM Cc1nnc([C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)o1 ZINC000826335249 607902423 /nfs/dbraw/zinc/90/24/23/607902423.db2.gz FFLBLGHAVLHXGO-ZCFIWIBFSA-N -1 1 272.272 1.126 20 0 CDADMM c1ccc2c(c1)CCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC000095186527 607986881 /nfs/dbraw/zinc/98/68/81/607986881.db2.gz AKSWCJWBNMUIIL-UHFFFAOYSA-N -1 1 279.307 1.219 20 0 CDADMM c1ccc2c(c1)CCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC000095186527 607986882 /nfs/dbraw/zinc/98/68/82/607986882.db2.gz AKSWCJWBNMUIIL-UHFFFAOYSA-N -1 1 279.307 1.219 20 0 CDADMM c1csc(CCNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826525937 607988126 /nfs/dbraw/zinc/98/81/26/607988126.db2.gz FHRRSABAHVLMFH-UHFFFAOYSA-N -1 1 273.325 1.373 20 0 CDADMM c1csc(CCNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826525937 607988127 /nfs/dbraw/zinc/98/81/27/607988127.db2.gz FHRRSABAHVLMFH-UHFFFAOYSA-N -1 1 273.325 1.373 20 0 CDADMM FC(F)Cn1cc(NCc2ccc(-c3nnn[n-]3)o2)cn1 ZINC000826369822 608055648 /nfs/dbraw/zinc/05/56/48/608055648.db2.gz RZCHSAUWGJLWBI-UHFFFAOYSA-N -1 1 295.253 1.533 20 0 CDADMM FC(F)Cn1cc(NCc2ccc(-c3nn[n-]n3)o2)cn1 ZINC000826369822 608055649 /nfs/dbraw/zinc/05/56/49/608055649.db2.gz RZCHSAUWGJLWBI-UHFFFAOYSA-N -1 1 295.253 1.533 20 0 CDADMM Cc1c(Nc2snc(Cl)c2-c2nnn[n-]2)cnn1C ZINC000826242877 608189488 /nfs/dbraw/zinc/18/94/88/608189488.db2.gz KHQGHHLVGUPHMP-UHFFFAOYSA-N -1 1 296.747 1.762 20 0 CDADMM Cc1c(Nc2snc(Cl)c2-c2nn[n-]n2)cnn1C ZINC000826242877 608189490 /nfs/dbraw/zinc/18/94/90/608189490.db2.gz KHQGHHLVGUPHMP-UHFFFAOYSA-N -1 1 296.747 1.762 20 0 CDADMM C[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C[C@H]1C ZINC000824962221 608303339 /nfs/dbraw/zinc/30/33/39/608303339.db2.gz QLVCTCXYJMEWIJ-VHSXEESVSA-N -1 1 258.329 1.744 20 0 CDADMM C[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C[C@H]1C ZINC000824962221 608303341 /nfs/dbraw/zinc/30/33/41/608303341.db2.gz QLVCTCXYJMEWIJ-VHSXEESVSA-N -1 1 258.329 1.744 20 0 CDADMM Cc1occc1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000826342779 608404017 /nfs/dbraw/zinc/40/40/17/608404017.db2.gz ZLWHXSHAFXLMEW-UHFFFAOYSA-N -1 1 271.284 1.195 20 0 CDADMM Cc1occc1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000826342779 608404018 /nfs/dbraw/zinc/40/40/18/608404018.db2.gz ZLWHXSHAFXLMEW-UHFFFAOYSA-N -1 1 271.284 1.195 20 0 CDADMM CCC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825164927 608409839 /nfs/dbraw/zinc/40/98/39/608409839.db2.gz NCSXMKYALBMJKH-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM CCC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825164927 608409842 /nfs/dbraw/zinc/40/98/42/608409842.db2.gz NCSXMKYALBMJKH-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM CC[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825165158 608431754 /nfs/dbraw/zinc/43/17/54/608431754.db2.gz UJQFQFQQJCQYIH-GFCCVEGCSA-N -1 1 259.317 1.283 20 0 CDADMM CC[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000825165158 608431755 /nfs/dbraw/zinc/43/17/55/608431755.db2.gz UJQFQFQQJCQYIH-GFCCVEGCSA-N -1 1 259.317 1.283 20 0 CDADMM CC[C@H](C)[C@H](C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825059672 609642130 /nfs/dbraw/zinc/64/21/30/609642130.db2.gz IPDYIEODIZELJQ-UWVGGRQHSA-N -1 1 289.339 1.987 20 0 CDADMM CC[C@H](C)[C@H](C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825059672 609642131 /nfs/dbraw/zinc/64/21/31/609642131.db2.gz IPDYIEODIZELJQ-UWVGGRQHSA-N -1 1 289.339 1.987 20 0 CDADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC(Cc2ccoc2)C1 ZINC000890575932 617216557 /nfs/dbraw/zinc/21/65/57/617216557.db2.gz MERRHRYXMFUDDU-UHFFFAOYSA-N -1 1 299.330 1.967 20 0 CDADMM O=C(NCC[C@@H](O)C1CC1)c1ccc(Cl)cc1[O-] ZINC000890731299 617310586 /nfs/dbraw/zinc/31/05/86/617310586.db2.gz VDQZNDYHPQVWEV-LLVKDONJSA-N -1 1 269.728 1.936 20 0 CDADMM O=C(N[C@@H]1COC[C@H]1C1CC1)c1ccc([O-])cc1F ZINC000891052349 617357057 /nfs/dbraw/zinc/35/70/57/617357057.db2.gz HXVVGIQPIZXHGY-WCQYABFASA-N -1 1 265.284 1.686 20 0 CDADMM C[C@@H](C(=O)[N-]OC[C@H]1CCOC1)c1cccc(O)c1 ZINC000935593663 617460034 /nfs/dbraw/zinc/46/00/34/617460034.db2.gz KWFKKLFNPLECNQ-MNOVXSKESA-N -1 1 265.309 1.580 20 0 CDADMM CCC(=O)N1CCC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000975225713 614581954 /nfs/dbraw/zinc/58/19/54/614581954.db2.gz ONBHRHJUWZRWON-LLVKDONJSA-N -1 1 291.351 1.166 20 0 CDADMM COCc1nc(N2CCC[C@@H](OCC3CC3)C2)cc(=O)[n-]1 ZINC000893258195 617497534 /nfs/dbraw/zinc/49/75/34/617497534.db2.gz 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276.336 1.551 20 0 CDADMM Cc1ccc(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)cc1C(=O)[O-] ZINC000911437529 629282667 /nfs/dbraw/zinc/28/26/67/629282667.db2.gz AOUXHICHFYDEBG-RYUDHWBXSA-N -1 1 290.363 1.858 20 0 CDADMM C[C@H](CC(=O)[O-])CC(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000911440627 629284913 /nfs/dbraw/zinc/28/49/13/629284913.db2.gz NJIRMERVDSQARK-AXFHLTTASA-N -1 1 256.346 1.038 20 0 CDADMM C[C@@H]1NC(=O)[C@H](C)N(C(=O)c2ccc([O-])cc2F)[C@H]1C ZINC000911794382 629519224 /nfs/dbraw/zinc/51/92/24/629519224.db2.gz IIEYAQJJXGDMFC-CIUDSAMLSA-N -1 1 280.299 1.269 20 0 CDADMM O=C(C=CC1CCCCC1)NCc1nc([O-])cc(=O)[nH]1 ZINC000912474117 630034597 /nfs/dbraw/zinc/03/45/97/630034597.db2.gz PAWJHHLPPFWJSJ-SREVYHEPSA-N -1 1 277.324 1.641 20 0 CDADMM C[C@H](O)C1(NC(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC000912692973 630152157 /nfs/dbraw/zinc/15/21/57/630152157.db2.gz DTLDPQRBCNPBBG-VIFPVBQESA-N -1 1 287.315 1.894 20 0 CDADMM CSCC[C@H](NC(=O)c1scnc1C)c1nn[n-]n1 ZINC000912860708 630248110 /nfs/dbraw/zinc/24/81/10/630248110.db2.gz VDMIURUGQVEQFM-ZETCQYMHSA-N -1 1 298.397 1.189 20 0 CDADMM CSCC[C@H](NC(=O)[C@H](C)C(C)(C)C)c1nn[n-]n1 ZINC000912861845 630250578 /nfs/dbraw/zinc/25/05/78/630250578.db2.gz ZVNBPKJYUHKIEV-IUCAKERBSA-N -1 1 285.417 1.792 20 0 CDADMM CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1CCC1)c1nn[n-]n1 ZINC000912863115 630251706 /nfs/dbraw/zinc/25/17/06/630251706.db2.gz LPYQREZCCZCUPA-AXFHLTTASA-N -1 1 295.412 1.546 20 0 CDADMM C[C@]1(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)CC1(F)F ZINC000913436258 630480146 /nfs/dbraw/zinc/48/01/46/630480146.db2.gz AYBWEXSPYIRKCZ-JOYOIKCWSA-N -1 1 293.277 1.451 20 0 CDADMM CCO[C@H](CC)C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000913437621 630481156 /nfs/dbraw/zinc/48/11/56/630481156.db2.gz HMLOVJDUTLYUOK-NEPJUHHUSA-N -1 1 289.339 1.220 20 0 CDADMM O=C(c1ccc(C2CC2)cc1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913500305 630513649 /nfs/dbraw/zinc/51/36/49/630513649.db2.gz VUVBILIJAMYYSK-CYBMUJFWSA-N -1 1 299.334 1.291 20 0 CDADMM CC1(C)CCCC[C@H]1C(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913497209 630514055 /nfs/dbraw/zinc/51/40/55/630514055.db2.gz IMYQSYFFOHUZGS-QWRGUYRKSA-N -1 1 293.371 1.316 20 0 CDADMM CSC(C)(C)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913746052 630742971 /nfs/dbraw/zinc/74/29/71/630742971.db2.gz UWMMIGMNQRCRBJ-UHFFFAOYSA-N -1 1 269.374 1.047 20 0 CDADMM CC[C@H](C)CCC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913744722 630743323 /nfs/dbraw/zinc/74/33/23/630743323.db2.gz AZQKBYZQMHMCSY-JTQLQIEISA-N -1 1 265.361 1.732 20 0 CDADMM O=C([O-])c1cccnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC000917369764 632203022 /nfs/dbraw/zinc/20/30/22/632203022.db2.gz ROHQLCRDHQPSET-LBPRGKRZSA-N -1 1 291.351 1.081 20 0 CDADMM COC(=O)c1c[n-]c(SCC(=O)C2(Cl)CC2)n1 ZINC000917495708 632227546 /nfs/dbraw/zinc/22/75/46/632227546.db2.gz BUMMIACZKMPRSG-UHFFFAOYSA-N -1 1 274.729 1.629 20 0 CDADMM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N(C)C)[nH]n2)o1 ZINC000919329601 632560865 /nfs/dbraw/zinc/56/08/65/632560865.db2.gz RNDHOIZSWOKKFS-SECBINFHSA-N -1 1 291.307 1.612 20 0 CDADMM C[C@@H]1CSCCCN1C(=O)c1cncc([O-])c1 ZINC000889923206 633023956 /nfs/dbraw/zinc/02/39/56/633023956.db2.gz HBMMTTBPVOWLHK-SECBINFHSA-N -1 1 252.339 1.755 20 0 CDADMM CCCCOC(=O)[C@@H](C)N1CCC[C@H](C(=O)[O-])C1 ZINC000736999211 633307124 /nfs/dbraw/zinc/30/71/24/633307124.db2.gz SVIIVEPTJYAYKP-MNOVXSKESA-N -1 1 257.330 1.515 20 0 CDADMM O=c1[n-]c2nc(=O)[nH]c(Nc3nccc4ccncc43)c2[nH]1 ZINC001170213812 1162301896 /nfs/dbraw/zinc/30/18/96/1162301896.db2.gz QZYZQANKDXEMMG-UHFFFAOYSA-N -1 1 295.262 1.403 20 0 CDADMM COc1cc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)c(F)cn1 ZINC001170217249 1162303472 /nfs/dbraw/zinc/30/34/72/1162303472.db2.gz ASSGBIXMRPRXMF-UHFFFAOYSA-N -1 1 292.230 1.002 20 0 CDADMM Cc1cnc(Cl)nc1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170224203 1162314979 /nfs/dbraw/zinc/31/49/79/1162314979.db2.gz UNJDGUQORGEERG-UHFFFAOYSA-N -1 1 277.675 1.554 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2ccc(-n3ccnn3)cc2)[n-]1 ZINC001170227811 1162318180 /nfs/dbraw/zinc/31/81/80/1162318180.db2.gz VANSKLCLSMNICT-UHFFFAOYSA-N -1 1 294.278 1.383 20 0 CDADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)[C@@H]1CC1(F)F ZINC000449873149 1158558057 /nfs/dbraw/zinc/55/80/57/1158558057.db2.gz RBTMOOBMEVTLOK-VIFPVBQESA-N -1 1 295.249 1.372 20 0 CDADMM O=C([O-])[C@H]1c2ccccc2CCN1Cc1cnccn1 ZINC000693754125 1159200538 /nfs/dbraw/zinc/20/05/38/1159200538.db2.gz DZONEYDLVVXRJD-CQSZACIVSA-N -1 1 269.304 1.661 20 0 CDADMM CCN(C(=O)Cc1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001604258198 1163136887 /nfs/dbraw/zinc/13/68/87/1163136887.db2.gz BQSDBGWACYPPSY-UHFFFAOYSA-N -1 1 274.328 1.061 20 0 CDADMM CCN(C(=O)Cc1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001604258198 1163136890 /nfs/dbraw/zinc/13/68/90/1163136890.db2.gz BQSDBGWACYPPSY-UHFFFAOYSA-N -1 1 274.328 1.061 20 0 CDADMM C[C@](O)(CN1CCc2cccc(Cl)c2C1)C(=O)[O-] ZINC001604373713 1163167845 /nfs/dbraw/zinc/16/78/45/1163167845.db2.gz LREIEYKRCLFJLZ-ZDUSSCGKSA-N -1 1 269.728 1.534 20 0 CDADMM NC(=O)Cc1ccc(-c2ccc([O-])c(F)c2F)cn1 ZINC001243343063 1162234989 /nfs/dbraw/zinc/23/49/89/1162234989.db2.gz PDVSHKPQTABZNZ-UHFFFAOYSA-N -1 1 264.231 1.760 20 0 CDADMM CCOC[C@H](Nc1cccc(-c2nnn[n-]2)n1)C(C)C ZINC001604422131 1163183883 /nfs/dbraw/zinc/18/38/83/1163183883.db2.gz RDPBGVOTBZHZGF-NSHDSACASA-N -1 1 276.344 1.735 20 0 CDADMM CCOC[C@H](Nc1cccc(-c2nn[n-]n2)n1)C(C)C ZINC001604422131 1163183887 /nfs/dbraw/zinc/18/38/87/1163183887.db2.gz RDPBGVOTBZHZGF-NSHDSACASA-N -1 1 276.344 1.735 20 0 CDADMM C[C@@H](c1csnn1)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001604475555 1163195517 /nfs/dbraw/zinc/19/55/17/1163195517.db2.gz NMMMWVBPOOQSST-LAEOZQHASA-N -1 1 255.343 1.642 20 0 CDADMM CC[C@@H]1C[C@H]1CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001604491293 1163204973 /nfs/dbraw/zinc/20/49/73/1163204973.db2.gz OBHAXNNKFPZYPY-SCZZXKLOSA-N -1 1 285.355 1.992 20 0 CDADMM CC[C@@H]1C[C@H]1CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001604491293 1163204980 /nfs/dbraw/zinc/20/49/80/1163204980.db2.gz OBHAXNNKFPZYPY-SCZZXKLOSA-N -1 1 285.355 1.992 20 0 CDADMM CC1=C(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])CCC1 ZINC001604607803 1163245413 /nfs/dbraw/zinc/24/54/13/1163245413.db2.gz UTOJAKVCOWLQSS-NSHDSACASA-N -1 1 263.297 1.022 20 0 CDADMM CO[C@@]1(C)C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1(C)C ZINC001605015191 1163418452 /nfs/dbraw/zinc/41/84/52/1163418452.db2.gz HXTQHXXRZRBYNO-ZANVPECISA-N -1 1 289.343 1.272 20 0 CDADMM COCCCCCOc1cccnc1-c1nnn[n-]1 ZINC001605088342 1163446177 /nfs/dbraw/zinc/44/61/77/1163446177.db2.gz IPLNLBWSKNLOMF-UHFFFAOYSA-N -1 1 263.301 1.457 20 0 CDADMM COCCCCCOc1cccnc1-c1nn[n-]n1 ZINC001605088342 1163446181 /nfs/dbraw/zinc/44/61/81/1163446181.db2.gz IPLNLBWSKNLOMF-UHFFFAOYSA-N -1 1 263.301 1.457 20 0 CDADMM COc1ccc(NCc2c[nH+]c(C)n2C)cc1-c1nn[nH]n1 ZINC001605301250 1163517563 /nfs/dbraw/zinc/51/75/63/1163517563.db2.gz RMIIELQYQMSRJJ-UHFFFAOYSA-N -1 1 299.338 1.529 20 0 CDADMM Cc1c(-c2nnn[n-]2)c(NC(=O)C=C2CCCC2)nn1C ZINC001605464931 1163574556 /nfs/dbraw/zinc/57/45/56/1163574556.db2.gz OBWYEDQMUNKERV-UHFFFAOYSA-N -1 1 287.327 1.348 20 0 CDADMM Cc1c(-c2nn[n-]n2)c(NC(=O)C=C2CCCC2)nn1C ZINC001605464931 1163574563 /nfs/dbraw/zinc/57/45/63/1163574563.db2.gz OBWYEDQMUNKERV-UHFFFAOYSA-N -1 1 287.327 1.348 20 0 CDADMM Cc1c(F)cccc1C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001605493906 1163585585 /nfs/dbraw/zinc/58/55/85/1163585585.db2.gz ULVXVIQTMHABQD-UHFFFAOYSA-N -1 1 287.258 1.290 20 0 CDADMM CCOC(=O)/C=C\CN1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001605531090 1163599464 /nfs/dbraw/zinc/59/94/64/1163599464.db2.gz IPTQWGYHYQARMF-BMWLXYDHSA-N -1 1 289.331 1.617 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(C)(CO)CC2)c1 ZINC001605560032 1163609865 /nfs/dbraw/zinc/60/98/65/1163609865.db2.gz NSECCHCBIUVXLH-UHFFFAOYSA-N -1 1 288.355 1.169 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(C)(CO)CC2)c1 ZINC001605560032 1163609869 /nfs/dbraw/zinc/60/98/69/1163609869.db2.gz NSECCHCBIUVXLH-UHFFFAOYSA-N -1 1 288.355 1.169 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C=CCCC2)n1 ZINC001605569199 1163613176 /nfs/dbraw/zinc/61/31/76/1163613176.db2.gz JKVHFDKYYQDSHS-VIFPVBQESA-N -1 1 257.301 1.486 20 0 CDADMM Cc1cc(NC[C@@H]2CCOC[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001605732600 1163656377 /nfs/dbraw/zinc/65/63/77/1163656377.db2.gz RADOGOYMSQQBNO-KOLCDFICSA-N -1 1 288.355 1.655 20 0 CDADMM Cc1cc(NC[C@@H]2CCOC[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001605732600 1163656381 /nfs/dbraw/zinc/65/63/81/1163656381.db2.gz RADOGOYMSQQBNO-KOLCDFICSA-N -1 1 288.355 1.655 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCC1CCC(O)CC1 ZINC001605805479 1163677044 /nfs/dbraw/zinc/67/70/44/1163677044.db2.gz VWJRNATVYLBVHS-UHFFFAOYSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H]1CCCC[C@@H]1O ZINC001605804535 1163677382 /nfs/dbraw/zinc/67/73/82/1163677382.db2.gz MJUVVTYHNUDECZ-PWSUYJOCSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCO[C@H](C(C)C)C1 ZINC001605803118 1163677621 /nfs/dbraw/zinc/67/76/21/1163677621.db2.gz XJSUAZWVIXHRHP-LBPRGKRZSA-N -1 1 288.355 1.431 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCO[C@H](C(C)C)C1 ZINC001605803118 1163677627 /nfs/dbraw/zinc/67/76/27/1163677627.db2.gz XJSUAZWVIXHRHP-LBPRGKRZSA-N -1 1 288.355 1.431 20 0 CDADMM Cc1ccc(N[C@@H](C)C[C@H](C)O)c(-c2nnn[n-]2)n1 ZINC001605872566 1163699904 /nfs/dbraw/zinc/69/99/04/1163699904.db2.gz XZRGTVAWQKGSOD-IUCAKERBSA-N -1 1 262.317 1.141 20 0 CDADMM Cc1ccc(N[C@@H](C)C[C@H](C)O)c(-c2nn[n-]n2)n1 ZINC001605872566 1163699909 /nfs/dbraw/zinc/69/99/09/1163699909.db2.gz XZRGTVAWQKGSOD-IUCAKERBSA-N -1 1 262.317 1.141 20 0 CDADMM Cc1ccn(CCc2cccc(F)c2)c(=O)c1-c1nn[n-]n1 ZINC001605950591 1163723557 /nfs/dbraw/zinc/72/35/57/1163723557.db2.gz ZNUWYBXAQQTEOC-UHFFFAOYSA-N -1 1 299.309 1.719 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2ccco2)c1-c1nn[n-]n1 ZINC001606014977 1163744273 /nfs/dbraw/zinc/74/42/73/1163744273.db2.gz VMYJPOXVOYZNOU-HTQZYQBOSA-N -1 1 299.294 1.233 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H]3CCC[C@H]32)n1 ZINC001606020904 1163747250 /nfs/dbraw/zinc/74/72/50/1163747250.db2.gz DUSOZJZCGWXKPE-CMPLNLGQSA-N -1 1 285.355 1.734 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H]3CCC[C@H]32)n1 ZINC001606020904 1163747255 /nfs/dbraw/zinc/74/72/55/1163747255.db2.gz DUSOZJZCGWXKPE-CMPLNLGQSA-N -1 1 285.355 1.734 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(Cc2cc3n(n2)CCCC3)c1C ZINC001606020995 1163747299 /nfs/dbraw/zinc/74/72/99/1163747299.db2.gz FSBFVJIWTMHRDN-UHFFFAOYSA-N -1 1 298.354 1.261 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2cc3n(n2)CCCC3)c1C ZINC001606020995 1163747305 /nfs/dbraw/zinc/74/73/05/1163747305.db2.gz FSBFVJIWTMHRDN-UHFFFAOYSA-N -1 1 298.354 1.261 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC3(CCC3)C2)n1 ZINC001606021040 1163747864 /nfs/dbraw/zinc/74/78/64/1163747864.db2.gz HRCIAXCXITZTBP-UHFFFAOYSA-N -1 1 271.328 1.346 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC3(CCC3)C2)n1 ZINC001606021040 1163747867 /nfs/dbraw/zinc/74/78/67/1163747867.db2.gz HRCIAXCXITZTBP-UHFFFAOYSA-N -1 1 271.328 1.346 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@@H]2C[C@H]3CCC[C@@H]3O2)c1C ZINC001606021157 1163748987 /nfs/dbraw/zinc/74/89/87/1163748987.db2.gz KWFKJLJKCKKCKE-WOPDTQHZSA-N -1 1 288.355 1.638 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@@H]2C[C@H]3CCC[C@@H]3O2)c1C ZINC001606021157 1163748990 /nfs/dbraw/zinc/74/89/90/1163748990.db2.gz KWFKJLJKCKKCKE-WOPDTQHZSA-N -1 1 288.355 1.638 20 0 CDADMM Cc1ncsc1CCOc1cccnc1-c1nnn[n-]1 ZINC001606103267 1163773626 /nfs/dbraw/zinc/77/36/26/1163773626.db2.gz GYZKKBBMDAAVJP-UHFFFAOYSA-N -1 1 288.336 1.648 20 0 CDADMM Cc1ncsc1CCOc1cccnc1-c1nn[n-]n1 ZINC001606103267 1163773631 /nfs/dbraw/zinc/77/36/31/1163773631.db2.gz GYZKKBBMDAAVJP-UHFFFAOYSA-N -1 1 288.336 1.648 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)C(C)(C)C ZINC001606168189 1163796284 /nfs/dbraw/zinc/79/62/84/1163796284.db2.gz DABLAYFSMUGSND-MRVPVSSYSA-N -1 1 277.328 1.933 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)C(C)(C)C ZINC001606168189 1163796290 /nfs/dbraw/zinc/79/62/90/1163796290.db2.gz DABLAYFSMUGSND-MRVPVSSYSA-N -1 1 277.328 1.933 20 0 CDADMM Clc1ccnc(CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC001606196717 1163802553 /nfs/dbraw/zinc/80/25/53/1163802553.db2.gz SYYPFSOWUSZWNR-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM Clc1ccnc(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC001606196717 1163802557 /nfs/dbraw/zinc/80/25/57/1163802557.db2.gz SYYPFSOWUSZWNR-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM FC(F)c1cc(CNc2ncncc2-c2nn[n-]n2)no1 ZINC001606299857 1163845611 /nfs/dbraw/zinc/84/56/11/1163845611.db2.gz INRPPBRIYMCWFI-UHFFFAOYSA-N -1 1 294.225 1.194 20 0 CDADMM COC(=O)[C@H](CCC(=O)[O-])N1CC[C@@H](c2ccco2)C1 ZINC001606333775 1163865297 /nfs/dbraw/zinc/86/52/97/1163865297.db2.gz VLTVLVVLTZGOJH-MNOVXSKESA-N -1 1 281.308 1.475 20 0 CDADMM O=C(C=C1CCCC1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001606478013 1163911300 /nfs/dbraw/zinc/91/13/00/1163911300.db2.gz BJKWQFDMSGWMHF-UHFFFAOYSA-N -1 1 259.273 1.029 20 0 CDADMM O=C(C=C1CCCC1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001606478013 1163911303 /nfs/dbraw/zinc/91/13/03/1163911303.db2.gz BJKWQFDMSGWMHF-UHFFFAOYSA-N -1 1 259.273 1.029 20 0 CDADMM COC(=O)c1nc[nH]c1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001606635368 1163943075 /nfs/dbraw/zinc/94/30/75/1163943075.db2.gz BKBNYEPPAYKDEI-JGVFFNPUSA-N -1 1 295.295 1.026 20 0 CDADMM O=C(N[C@H]1CC=CCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606655956 1163948840 /nfs/dbraw/zinc/94/88/40/1163948840.db2.gz YSJBDMNECOZQTP-VIFPVBQESA-N -1 1 287.298 1.844 20 0 CDADMM O=C(N[C@H]1CC=CCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606655956 1163948844 /nfs/dbraw/zinc/94/88/44/1163948844.db2.gz YSJBDMNECOZQTP-VIFPVBQESA-N -1 1 287.298 1.844 20 0 CDADMM CO[C@@H]1C[C@H](N(C)Cc2oncc2C(=O)[O-])C12CCC2 ZINC001606722572 1163971536 /nfs/dbraw/zinc/97/15/36/1163971536.db2.gz LRBSUGZAAYTDCV-NWDGAFQWSA-N -1 1 280.324 1.762 20 0 CDADMM O=C(NCC[C@H]1CC1(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC001606762611 1163985598 /nfs/dbraw/zinc/98/55/98/1163985598.db2.gz XMPKGJKXXQVLTG-QMMMGPOBSA-N -1 1 294.265 1.037 20 0 CDADMM COCCN(C)c1ccc(CN2CC(C)(C(=O)[O-])C2)cn1 ZINC001606881000 1164023425 /nfs/dbraw/zinc/02/34/25/1164023425.db2.gz UCARMEJYAJLVDK-UHFFFAOYSA-N -1 1 293.367 1.071 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CCCC12CC2 ZINC001606953703 1164036822 /nfs/dbraw/zinc/03/68/22/1164036822.db2.gz YQUQPHDCONTHBP-ZETCQYMHSA-N -1 1 290.352 1.842 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CCCC12CC2 ZINC001606953703 1164036824 /nfs/dbraw/zinc/03/68/24/1164036824.db2.gz YQUQPHDCONTHBP-ZETCQYMHSA-N -1 1 290.352 1.842 20 0 CDADMM CO[C@@]12CCC[C@]1(NCc1ccoc1C(=O)[O-])CCO2 ZINC001607003267 1164056773 /nfs/dbraw/zinc/05/67/73/1164056773.db2.gz ZWWDUWBUPBORTM-UONOGXRCSA-N -1 1 281.308 1.753 20 0 CDADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC[C@@H](CF)C1 ZINC001607031536 1164064928 /nfs/dbraw/zinc/06/49/28/1164064928.db2.gz GAKDVDLPFGDNFZ-QMMMGPOBSA-N -1 1 295.343 1.750 20 0 CDADMM c1cc(NC[C@@H]2CC[C@@H](C3CC3)O2)cc(-c2nnn[n-]2)n1 ZINC001607120599 1164103647 /nfs/dbraw/zinc/10/36/47/1164103647.db2.gz FINWVVPMYKXPPU-AAEUAGOBSA-N -1 1 286.339 1.053 20 0 CDADMM c1cc(NC[C@@H]2CC[C@@H](C3CC3)O2)cc(-c2nn[n-]n2)n1 ZINC001607120599 1164103651 /nfs/dbraw/zinc/10/36/51/1164103651.db2.gz FINWVVPMYKXPPU-AAEUAGOBSA-N -1 1 286.339 1.053 20 0 CDADMM c1cc2cc(Oc3cncc(-c4nnn[n-]4)n3)ccc2cn1 ZINC001607123673 1164105738 /nfs/dbraw/zinc/10/57/38/1164105738.db2.gz TVWPMAKKXYJEMW-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1cc2cc(Oc3cncc(-c4nn[n-]n4)n3)ccc2cn1 ZINC001607123673 1164105740 /nfs/dbraw/zinc/10/57/40/1164105740.db2.gz TVWPMAKKXYJEMW-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1ccc2c(c1)CO[C@@H]2CNc1ncncc1-c1nn[n-]n1 ZINC001607132493 1164110384 /nfs/dbraw/zinc/11/03/84/1164110384.db2.gz KFUUZYFITPEVJY-GFCCVEGCSA-N -1 1 295.306 1.340 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(Nc2ccc3c(c2)CCOC3)n1 ZINC001607133458 1164113008 /nfs/dbraw/zinc/11/30/08/1164113008.db2.gz GMTGRLQISKWIHJ-UHFFFAOYSA-N -1 1 295.306 1.473 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(Nc2ccc3c(c2)CCOC3)n1 ZINC001607133458 1164113011 /nfs/dbraw/zinc/11/30/11/1164113011.db2.gz GMTGRLQISKWIHJ-UHFFFAOYSA-N -1 1 295.306 1.473 20 0 CDADMM c1nc(NC[C@]23C[C@H]2CCCC3)cc(-c2nnn[n-]2)n1 ZINC001607137382 1164117167 /nfs/dbraw/zinc/11/71/67/1164117167.db2.gz RPPXFOHPASLDGW-RNCFNFMXSA-N -1 1 271.328 1.649 20 0 CDADMM c1nc(NC[C@]23C[C@H]2CCCC3)cc(-c2nn[n-]n2)n1 ZINC001607137382 1164117169 /nfs/dbraw/zinc/11/71/69/1164117169.db2.gz RPPXFOHPASLDGW-RNCFNFMXSA-N -1 1 271.328 1.649 20 0 CDADMM C[C@H]1CN(C[C@@H]2CCCC3(CCC3)O2)C[C@@H](C(=O)[O-])O1 ZINC001607476707 1164196105 /nfs/dbraw/zinc/19/61/05/1164196105.db2.gz SVIVECQTRQJLPW-AVGNSLFASA-N -1 1 283.368 1.652 20 0 CDADMM Cc1c[nH]c(=O)c(CNCc2ccc(C(=O)[O-])n2C)c1 ZINC001607555414 1164223866 /nfs/dbraw/zinc/22/38/66/1164223866.db2.gz JYBVHSYCYZVWPF-UHFFFAOYSA-N -1 1 275.308 1.422 20 0 CDADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CCc1c[nH]nn1 ZINC001607740137 1164282100 /nfs/dbraw/zinc/28/21/00/1164282100.db2.gz VPMPPRQCPMKHIP-UHFFFAOYSA-N -1 1 274.280 1.383 20 0 CDADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CCc1cnn[nH]1 ZINC001607740137 1164282106 /nfs/dbraw/zinc/28/21/06/1164282106.db2.gz VPMPPRQCPMKHIP-UHFFFAOYSA-N -1 1 274.280 1.383 20 0 CDADMM Cc1ccc([C@@H](CNc2nccnc2CN)C(=O)[O-])cc1 ZINC001607759528 1164287038 /nfs/dbraw/zinc/28/70/38/1164287038.db2.gz OJEQSNKLMNVVCT-GFCCVEGCSA-N -1 1 286.335 1.524 20 0 CDADMM COc1cc(C(=O)N2C[C@@H](C)C[C@H]2CO)cc(Cl)c1[O-] ZINC001191138298 1164381121 /nfs/dbraw/zinc/38/11/21/1164381121.db2.gz DDWFQBIAXWUTNT-WPRPVWTQSA-N -1 1 299.754 1.897 20 0 CDADMM Nc1ccc(CN2CCSC[C@@H]2CC(=O)[O-])cn1 ZINC001608273240 1164476811 /nfs/dbraw/zinc/47/68/11/1164476811.db2.gz VTDCCVXPDCYNDM-JTQLQIEISA-N -1 1 267.354 1.056 20 0 CDADMM O=C([O-])[C@H](NCC(=O)NC1CCCCCCC1)C1CC1 ZINC001608341570 1164492754 /nfs/dbraw/zinc/49/27/54/1164492754.db2.gz YKQDZYCBMMYSPL-CQSZACIVSA-N -1 1 282.384 1.668 20 0 CDADMM O=C([O-])c1ccn(CC(=O)Nc2cccc(Cl)c2O)n1 ZINC001608378694 1164502204 /nfs/dbraw/zinc/50/22/04/1164502204.db2.gz XSHGMHIEEUGBKW-UHFFFAOYSA-N -1 1 295.682 1.579 20 0 CDADMM O=C([O-])c1c[nH]c2cc(NC(=O)c3cnncc3O)ccc12 ZINC001608513876 1164529804 /nfs/dbraw/zinc/52/98/04/1164529804.db2.gz KASBPOPPUZRKDD-UHFFFAOYSA-N -1 1 298.258 1.614 20 0 CDADMM O=C([O-])C=Cc1ccc(C(=O)Nc2ccc3[nH]nnc3c2)o1 ZINC001608659740 1164594376 /nfs/dbraw/zinc/59/43/76/1164594376.db2.gz UCXMYFRZVBZYFS-ZZXKWVIFSA-N -1 1 298.258 1.901 20 0 CDADMM O=C([O-])CC1(NC(=O)c2ccc(Cl)c(O)c2)CC1 ZINC001608685777 1164603992 /nfs/dbraw/zinc/60/39/92/1164603992.db2.gz URSVERYPJBAKLA-UHFFFAOYSA-N -1 1 269.684 1.783 20 0 CDADMM O=C([O-])c1cc(CN2CC[C@H](O)CC23CCC3)on1 ZINC001608841938 1164659083 /nfs/dbraw/zinc/65/90/83/1164659083.db2.gz PYFXKGVZQKUHNO-VIFPVBQESA-N -1 1 266.297 1.252 20 0 CDADMM CC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001609146146 1164791938 /nfs/dbraw/zinc/79/19/38/1164791938.db2.gz SKWWLBPQQURCGZ-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001609146146 1164791944 /nfs/dbraw/zinc/79/19/44/1164791944.db2.gz SKWWLBPQQURCGZ-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CC1(C)SC[C@@H]1Nc1cccnc1-c1nnn[n-]1 ZINC001609147881 1164796242 /nfs/dbraw/zinc/79/62/42/1164796242.db2.gz RPXVRIAQWIKMCO-QMMMGPOBSA-N -1 1 262.342 1.568 20 0 CDADMM CC1(C)SC[C@@H]1Nc1cccnc1-c1nn[n-]n1 ZINC001609147881 1164796250 /nfs/dbraw/zinc/79/62/50/1164796250.db2.gz RPXVRIAQWIKMCO-QMMMGPOBSA-N -1 1 262.342 1.568 20 0 CDADMM CC1=C(C)CN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001609151256 1164799901 /nfs/dbraw/zinc/79/99/01/1164799901.db2.gz FBGBBHPIJHWURX-UHFFFAOYSA-N -1 1 256.313 1.808 20 0 CDADMM CC1=C(C)CN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001609151256 1164799906 /nfs/dbraw/zinc/79/99/06/1164799906.db2.gz FBGBBHPIJHWURX-UHFFFAOYSA-N -1 1 256.313 1.808 20 0 CDADMM C[C@@H]1[C@@H](C(F)(F)F)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001609152684 1164800911 /nfs/dbraw/zinc/80/09/11/1164800911.db2.gz IUDPNKMYHPLPMD-RQJHMYQMSA-N -1 1 299.260 1.434 20 0 CDADMM C[C@@H]1[C@@H](C(F)(F)F)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001609152684 1164800915 /nfs/dbraw/zinc/80/09/15/1164800915.db2.gz IUDPNKMYHPLPMD-RQJHMYQMSA-N -1 1 299.260 1.434 20 0 CDADMM C[C@@H]1[C@H](C)CN(C(=O)c2ccc(-c3nnn[n-]3)o2)[C@H]1C ZINC001609171699 1164812565 /nfs/dbraw/zinc/81/25/65/1164812565.db2.gz KHFWRDYDENBUSW-HLTSFMKQSA-N -1 1 275.312 1.576 20 0 CDADMM C[C@@H]1[C@H](C)CN(C(=O)c2ccc(-c3nn[n-]n3)o2)[C@H]1C ZINC001609171699 1164812569 /nfs/dbraw/zinc/81/25/69/1164812569.db2.gz KHFWRDYDENBUSW-HLTSFMKQSA-N -1 1 275.312 1.576 20 0 CDADMM C[C@H]1[C@@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)o2)C[C@H]1C ZINC001609171702 1164813552 /nfs/dbraw/zinc/81/35/52/1164813552.db2.gz KHFWRDYDENBUSW-IWSPIJDZSA-N -1 1 275.312 1.576 20 0 CDADMM C[C@H]1[C@@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)o2)C[C@H]1C ZINC001609171702 1164813558 /nfs/dbraw/zinc/81/35/58/1164813558.db2.gz KHFWRDYDENBUSW-IWSPIJDZSA-N -1 1 275.312 1.576 20 0 CDADMM CCn1cc(CNc2snc(C)c2-c2nn[n-]n2)cn1 ZINC001609258854 1164867221 /nfs/dbraw/zinc/86/72/21/1164867221.db2.gz LHQABEYBGVHVKR-UHFFFAOYSA-N -1 1 290.356 1.460 20 0 CDADMM Cc1nsc(NC(=O)NCCC(C)C)c1-c1nnn[n-]1 ZINC001609465818 1164962307 /nfs/dbraw/zinc/96/23/07/1164962307.db2.gz RRTCDPGHSWLJSZ-UHFFFAOYSA-N -1 1 295.372 1.799 20 0 CDADMM Cc1nsc(NC(=O)NCCC(C)C)c1-c1nn[n-]n1 ZINC001609465818 1164962323 /nfs/dbraw/zinc/96/23/23/1164962323.db2.gz RRTCDPGHSWLJSZ-UHFFFAOYSA-N -1 1 295.372 1.799 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C(C)C)C1CC1 ZINC001609467098 1164963454 /nfs/dbraw/zinc/96/34/54/1164963454.db2.gz UNEHSFBZBHXBRF-UHFFFAOYSA-N -1 1 275.312 1.781 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C(C)C)C1CC1 ZINC001609467098 1164963461 /nfs/dbraw/zinc/96/34/61/1164963461.db2.gz UNEHSFBZBHXBRF-UHFFFAOYSA-N -1 1 275.312 1.781 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC2CCC1CC2 ZINC001609567264 1164989864 /nfs/dbraw/zinc/98/98/64/1164989864.db2.gz YQQKXISOURXKKB-UHFFFAOYSA-N -1 1 299.338 1.668 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC2CCC1CC2 ZINC001609567264 1164989869 /nfs/dbraw/zinc/98/98/69/1164989869.db2.gz YQQKXISOURXKKB-UHFFFAOYSA-N -1 1 299.338 1.668 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@H]1CC12CCCC2 ZINC001609577312 1164994515 /nfs/dbraw/zinc/99/45/15/1164994515.db2.gz GUOMVHBYXRYURQ-LLVKDONJSA-N -1 1 299.334 1.885 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@H]1CC12CCCC2 ZINC001609577312 1164994521 /nfs/dbraw/zinc/99/45/21/1164994521.db2.gz GUOMVHBYXRYURQ-LLVKDONJSA-N -1 1 299.334 1.885 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CCC(C3CC3)CC2)c1 ZINC001609613126 1165006463 /nfs/dbraw/zinc/00/64/63/1165006463.db2.gz LZRDOGBKTJWJAZ-UHFFFAOYSA-N -1 1 270.340 1.888 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CCC(C3CC3)CC2)c1 ZINC001609613126 1165006467 /nfs/dbraw/zinc/00/64/67/1165006467.db2.gz LZRDOGBKTJWJAZ-UHFFFAOYSA-N -1 1 270.340 1.888 20 0 CDADMM c1cc2cc(CNc3n[nH]cc3-c3nnn[n-]3)ccc2o1 ZINC001609615677 1165012807 /nfs/dbraw/zinc/01/28/07/1165012807.db2.gz LEZHWHZIEKZVTB-UHFFFAOYSA-N -1 1 281.279 1.948 20 0 CDADMM c1cc2cc(CNc3n[nH]cc3-c3nn[n-]n3)ccc2o1 ZINC001609615677 1165012815 /nfs/dbraw/zinc/01/28/15/1165012815.db2.gz LEZHWHZIEKZVTB-UHFFFAOYSA-N -1 1 281.279 1.948 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@@H]2CCO[C@@H](C3CC3)C2)c1 ZINC001609619037 1165014605 /nfs/dbraw/zinc/01/46/05/1165014605.db2.gz FQYMVHXRMFYMAN-ZYHUDNBSSA-N -1 1 286.339 1.631 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@@H]2CCO[C@@H](C3CC3)C2)c1 ZINC001609619037 1165014609 /nfs/dbraw/zinc/01/46/09/1165014609.db2.gz FQYMVHXRMFYMAN-ZYHUDNBSSA-N -1 1 286.339 1.631 20 0 CDADMM CC(=O)c1ccc(CN2C[C@@H](O)C[C@H](C(=O)[O-])C2)cc1 ZINC001609628882 1165020815 /nfs/dbraw/zinc/02/08/15/1165020815.db2.gz CIGVBZSYYKRUMY-KBPBESRZSA-N -1 1 277.320 1.157 20 0 CDADMM C[C@H](N[C@H](C(=O)[O-])C1CC1)C(=O)NCc1ccc(F)cc1 ZINC001609773767 1165074104 /nfs/dbraw/zinc/07/41/04/1165074104.db2.gz IPPYQLJHSIKVSP-ZANVPECISA-N -1 1 294.326 1.283 20 0 CDADMM C[C@@H](Sc1ccccc1C(=O)Nc1c[nH]nn1)C(=O)[O-] ZINC001609806135 1165088456 /nfs/dbraw/zinc/08/84/56/1165088456.db2.gz IADJMYGQKBBYFV-SSDOTTSWSA-N -1 1 292.320 1.622 20 0 CDADMM Cn1nccc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001610616278 1165379645 /nfs/dbraw/zinc/37/96/45/1165379645.db2.gz ZVEUSUZEDICGCI-UHFFFAOYSA-N -1 1 285.263 1.247 20 0 CDADMM O=C([O-])[C@@H]1CC(=O)N(CN2CCCC3(CCCC3)C2)C1 ZINC001610735629 1165422220 /nfs/dbraw/zinc/42/22/20/1165422220.db2.gz RKNUPHHYAGAFOM-GFCCVEGCSA-N -1 1 280.368 1.533 20 0 CDADMM CC(C)=CC(=O)OCC(=O)c1ccc([O-])cc1O ZINC000018264152 1165651300 /nfs/dbraw/zinc/65/13/00/1165651300.db2.gz LCPBYOLWMJYQLQ-UHFFFAOYSA-N -1 1 250.250 1.790 20 0 CDADMM Cc1nnc([C@H](C)NC(=O)c2ccc([O-])cc2F)o1 ZINC001623040297 1165746484 /nfs/dbraw/zinc/74/64/84/1165746484.db2.gz OVVCFWDPVLGTMG-LURJTMIESA-N -1 1 265.244 1.714 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccnn1-c1ccccc1 ZINC001625354395 1165902320 /nfs/dbraw/zinc/90/23/20/1165902320.db2.gz JDYFJMZKEFEYOR-UHFFFAOYSA-N -1 1 283.291 1.862 20 0 CDADMM Cc1ncccc1C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001630782677 1166231715 /nfs/dbraw/zinc/23/17/15/1166231715.db2.gz GYUJREKIIYORBB-ZDUSSCGKSA-N -1 1 294.318 1.423 20 0 CDADMM Clc1cccc(OCCn2cnc(-c3nn[n-]n3)n2)c1 ZINC000095221141 1166609453 /nfs/dbraw/zinc/60/94/53/1166609453.db2.gz ZHKFYVXJLIRINK-UHFFFAOYSA-N -1 1 291.702 1.191 20 0 CDADMM C[C@H](Cc1cccnc1)NC(=O)c1ccc([O-])cn1 ZINC001640416461 1167022977 /nfs/dbraw/zinc/02/29/77/1167022977.db2.gz WGAYMDJSJRLPML-SNVBAGLBSA-N -1 1 257.293 1.543 20 0 CDADMM COc1ccc(C(=O)Nc2cnc3ccnn3c2)c([O-])c1 ZINC001640482096 1167029778 /nfs/dbraw/zinc/02/97/78/1167029778.db2.gz HIXGOHXRMWOBCJ-UHFFFAOYSA-N -1 1 284.275 1.696 20 0 CDADMM O=C(Nc1ccnc(-n2cccn2)c1)c1ccc(O)cc1[O-] ZINC001640519414 1167033048 /nfs/dbraw/zinc/03/30/48/1167033048.db2.gz SEGIHUKYOKFOAI-UHFFFAOYSA-N -1 1 296.286 1.931 20 0 CDADMM Cc1nc(CC(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)n[nH]1 ZINC001641392860 1167103209 /nfs/dbraw/zinc/10/32/09/1167103209.db2.gz BYTBKMPPFWQDEX-UHFFFAOYSA-N -1 1 298.306 1.390 20 0 CDADMM C[C@H](NC(=O)c1[n-][nH]c2cc(=O)ccc1-2)c1cnccn1 ZINC001155273861 1167113750 /nfs/dbraw/zinc/11/37/50/1167113750.db2.gz ZSYIOTUITIOPJB-QMMMGPOBSA-N -1 1 283.291 1.550 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)Cc1ccc(Cl)cn1 ZINC001641716359 1167132441 /nfs/dbraw/zinc/13/24/41/1167132441.db2.gz TVOYSLRGRPADOQ-UHFFFAOYSA-N -1 1 266.688 1.653 20 0 CDADMM O=C(Nc1cccc2[nH]c(=O)[nH]c21)c1cncc([O-])c1 ZINC001641878716 1167142413 /nfs/dbraw/zinc/14/24/13/1167142413.db2.gz QXTGIXASULUKEY-UHFFFAOYSA-N -1 1 270.248 1.621 20 0 CDADMM Cc1n[nH]cc1CN(C)C(=O)c1ccc([O-])c(F)c1 ZINC001643447580 1167250648 /nfs/dbraw/zinc/25/06/48/1167250648.db2.gz ZAAOASCNPAROCQ-UHFFFAOYSA-N -1 1 263.272 1.835 20 0 CDADMM O=C([N-]Cc1cccc(OCC(F)(F)F)n1)C(F)F ZINC001645736232 1167481867 /nfs/dbraw/zinc/48/18/67/1167481867.db2.gz AEZNPTUDSADROM-UHFFFAOYSA-N -1 1 284.184 1.904 20 0 CDADMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@H](F)CC)nc2n1 ZINC001646649247 1168018972 /nfs/dbraw/zinc/01/89/72/1168018972.db2.gz WKSOSPMCRXBYJF-MRVPVSSYSA-N -1 1 281.291 1.057 20 0 CDADMM C[C@H](NC(=O)c1cccc([O-])c1F)c1ncon1 ZINC001566459387 1168287576 /nfs/dbraw/zinc/28/75/76/1168287576.db2.gz DGXPXGDZOHJXCC-LURJTMIESA-N -1 1 251.217 1.405 20 0 CDADMM CN(C)C(=O)[C@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC001646988883 1168327234 /nfs/dbraw/zinc/32/72/34/1168327234.db2.gz OZRHXUFAKNMBJI-NSHDSACASA-N -1 1 294.326 1.472 20 0 CDADMM CC(C)c1noc(OCC(=O)c2ccc([O-])cc2O)n1 ZINC001647083382 1168363365 /nfs/dbraw/zinc/36/33/65/1168363365.db2.gz QJGXDSJEVDRYNT-UHFFFAOYSA-N -1 1 278.264 1.866 20 0 CDADMM Cn1cnc(CNC(=O)c2c([O-])cccc2Cl)c1 ZINC001647839239 1169065148 /nfs/dbraw/zinc/06/51/48/1169065148.db2.gz FCFNOWXWZSHRDS-UHFFFAOYSA-N -1 1 265.700 1.709 20 0 CDADMM CC[C@H]1CN(Cc2n[nH]c(C(C)(C)C)n2)C[C@]1(F)C(=O)[O-] ZINC001573826841 1170793895 /nfs/dbraw/zinc/79/38/95/1170793895.db2.gz VLSKHXJOEUQQCZ-LKFCYVNXSA-N -1 1 298.362 1.737 20 0 CDADMM Cc1onc(CNC2(CC(N)=O)CCCCC2)c1C(=O)[O-] ZINC001574207990 1170919677 /nfs/dbraw/zinc/91/96/77/1170919677.db2.gz JZUVYOSMNHXOEV-UHFFFAOYSA-N -1 1 295.339 1.349 20 0 CDADMM O=C([O-])c1cnn2cc(CN3CCCC4(CC4)C3)cnc12 ZINC001574423626 1170980292 /nfs/dbraw/zinc/98/02/92/1170980292.db2.gz XAEXCZNQQPDXOT-UHFFFAOYSA-N -1 1 286.335 1.804 20 0 CDADMM O=C([O-])c1cccc(NC(=O)[C@H]2CCCc3n[nH]nc32)c1 ZINC001574991933 1171078532 /nfs/dbraw/zinc/07/85/32/1171078532.db2.gz WWEMZBXMCUYPAY-JTQLQIEISA-N -1 1 286.291 1.562 20 0 CDADMM COC(=O)c1cccc(Oc2cncc(-c3nnn[n-]3)n2)c1 ZINC001579488289 1172196666 /nfs/dbraw/zinc/19/66/66/1172196666.db2.gz YRMSOOITTWIYEG-UHFFFAOYSA-N -1 1 298.262 1.236 20 0 CDADMM COC(=O)c1cccc(Oc2cncc(-c3nn[n-]n3)n2)c1 ZINC001579488289 1172196673 /nfs/dbraw/zinc/19/66/73/1172196673.db2.gz YRMSOOITTWIYEG-UHFFFAOYSA-N -1 1 298.262 1.236 20 0 CDADMM COc1c(C)cccc1CNc1ncncc1-c1nn[n-]n1 ZINC001579874427 1172288370 /nfs/dbraw/zinc/28/83/70/1172288370.db2.gz AAKCPMWKOCTUEH-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM Cc1[nH]nc(NC(=O)c2coc(-c3nnn[n-]3)c2)c1C ZINC001581403419 1172608267 /nfs/dbraw/zinc/60/82/67/1172608267.db2.gz LVELDVBSVJAZSD-UHFFFAOYSA-N -1 1 273.256 1.052 20 0 CDADMM Cc1[nH]nc(NC(=O)c2coc(-c3nn[n-]n3)c2)c1C ZINC001581403419 1172608271 /nfs/dbraw/zinc/60/82/71/1172608271.db2.gz LVELDVBSVJAZSD-UHFFFAOYSA-N -1 1 273.256 1.052 20 0 CDADMM CC(=O)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001588921340 1173112457 /nfs/dbraw/zinc/11/24/57/1173112457.db2.gz XMNKCDFJLTZBDB-UHFFFAOYSA-N -1 1 297.274 1.915 20 0 CDADMM CC(C)(C)CC(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001589116340 1173124271 /nfs/dbraw/zinc/12/42/71/1173124271.db2.gz OJANQHWICTXPQQ-UHFFFAOYSA-N -1 1 264.285 1.939 20 0 CDADMM CC(C)(C)CC(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001589116340 1173124278 /nfs/dbraw/zinc/12/42/78/1173124278.db2.gz OJANQHWICTXPQQ-UHFFFAOYSA-N -1 1 264.285 1.939 20 0 CDADMM CC(C)[C@H]1N(C(=O)c2coc(-c3nnn[n-]3)c2)CC1(C)C ZINC001589519192 1173154765 /nfs/dbraw/zinc/15/47/65/1173154765.db2.gz KOIVOHKKXLHHFF-LLVKDONJSA-N -1 1 289.339 1.966 20 0 CDADMM CC(C)[C@H]1N(C(=O)c2coc(-c3nn[n-]n3)c2)CC1(C)C ZINC001589519192 1173154768 /nfs/dbraw/zinc/15/47/68/1173154768.db2.gz KOIVOHKKXLHHFF-LLVKDONJSA-N -1 1 289.339 1.966 20 0 CDADMM CC(C)CNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001589635801 1173164104 /nfs/dbraw/zinc/16/41/04/1173164104.db2.gz IIMVIHNZSMALMN-UHFFFAOYSA-N -1 1 251.315 1.314 20 0 CDADMM CC(C)CNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001589635801 1173164110 /nfs/dbraw/zinc/16/41/10/1173164110.db2.gz IIMVIHNZSMALMN-UHFFFAOYSA-N -1 1 251.315 1.314 20 0 CDADMM CC(C)COCCCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589645940 1173166545 /nfs/dbraw/zinc/16/65/45/1173166545.db2.gz PMSMHWTVQWDSDJ-UHFFFAOYSA-N -1 1 293.327 1.252 20 0 CDADMM CC(C)COCCCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589645940 1173166554 /nfs/dbraw/zinc/16/65/54/1173166554.db2.gz PMSMHWTVQWDSDJ-UHFFFAOYSA-N -1 1 293.327 1.252 20 0 CDADMM C[C@@H](CC1CCCC1)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001589801112 1173185220 /nfs/dbraw/zinc/18/52/20/1173185220.db2.gz IYHCSDVNTRXNHK-QMMMGPOBSA-N -1 1 289.343 1.745 20 0 CDADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccnn1C ZINC001589984941 1173220880 /nfs/dbraw/zinc/22/08/80/1173220880.db2.gz YRPBQVNIZSUAPZ-QMMMGPOBSA-N -1 1 270.300 1.168 20 0 CDADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccnn1C ZINC001589984941 1173220885 /nfs/dbraw/zinc/22/08/85/1173220885.db2.gz YRPBQVNIZSUAPZ-QMMMGPOBSA-N -1 1 270.300 1.168 20 0 CDADMM C[C@H](Nc1cc(-c2nnn[n-]2)ncn1)C1CCC(F)CC1 ZINC001589979929 1173222260 /nfs/dbraw/zinc/22/22/60/1173222260.db2.gz CNBYDWWUEKCGNT-IDKOKCKLSA-N -1 1 291.334 1.985 20 0 CDADMM C[C@H](Nc1cc(-c2nn[n-]n2)ncn1)C1CCC(F)CC1 ZINC001589979929 1173222267 /nfs/dbraw/zinc/22/22/67/1173222267.db2.gz CNBYDWWUEKCGNT-IDKOKCKLSA-N -1 1 291.334 1.985 20 0 CDADMM C[C@@H](O)CCn1cc(-c2nn[n-]n2)c2ccsc2c1=O ZINC001589997446 1173226508 /nfs/dbraw/zinc/22/65/08/1173226508.db2.gz BGMYIAYTDMFWGG-SSDOTTSWSA-N -1 1 291.336 1.014 20 0 CDADMM C[C@@H](OC(=O)c1coc(-c2nnn[n-]2)c1)C(F)F ZINC001590015260 1173233320 /nfs/dbraw/zinc/23/33/20/1173233320.db2.gz ZMMLLURPMLQFIU-SCSAIBSYSA-N -1 1 258.184 1.270 20 0 CDADMM C[C@@H](OC(=O)c1coc(-c2nn[n-]n2)c1)C(F)F ZINC001590015260 1173233328 /nfs/dbraw/zinc/23/33/28/1173233328.db2.gz ZMMLLURPMLQFIU-SCSAIBSYSA-N -1 1 258.184 1.270 20 0 CDADMM CC1(C)CC[C@@H](CNc2nccnc2-c2nnn[n-]2)OC1 ZINC001590090393 1173253377 /nfs/dbraw/zinc/25/33/77/1173253377.db2.gz IDNHINMGZXMIPQ-VIFPVBQESA-N -1 1 289.343 1.274 20 0 CDADMM CC1(C)CC[C@@H](CNc2nccnc2-c2nn[n-]n2)OC1 ZINC001590090393 1173253383 /nfs/dbraw/zinc/25/33/83/1173253383.db2.gz IDNHINMGZXMIPQ-VIFPVBQESA-N -1 1 289.343 1.274 20 0 CDADMM CC1(C)CCC[C@]1(O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001590097756 1173256144 /nfs/dbraw/zinc/25/61/44/1173256144.db2.gz NBIAZMXLJFTWKA-ZDUSSCGKSA-N -1 1 289.343 1.010 20 0 CDADMM CC1(C)CCC[C@]1(O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001590097756 1173256152 /nfs/dbraw/zinc/25/61/52/1173256152.db2.gz NBIAZMXLJFTWKA-ZDUSSCGKSA-N -1 1 289.343 1.010 20 0 CDADMM CC1(C)CN(c2cccnc2-c2nnn[n-]2)CCS1 ZINC001590108486 1173260390 /nfs/dbraw/zinc/26/03/90/1173260390.db2.gz SCPIIMHNFLBBRW-UHFFFAOYSA-N -1 1 276.369 1.594 20 0 CDADMM CC1(C)CN(c2cccnc2-c2nn[n-]n2)CCS1 ZINC001590108486 1173260394 /nfs/dbraw/zinc/26/03/94/1173260394.db2.gz SCPIIMHNFLBBRW-UHFFFAOYSA-N -1 1 276.369 1.594 20 0 CDADMM C[C@H]1CC(C)(C)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001590189424 1173284765 /nfs/dbraw/zinc/28/47/65/1173284765.db2.gz CEGBANCCELJUTJ-QMMMGPOBSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@H]1CC(C)(C)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001590189424 1173284770 /nfs/dbraw/zinc/28/47/70/1173284770.db2.gz CEGBANCCELJUTJ-QMMMGPOBSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@@H]1C[C@@H]1c1noc(-c2coc(-c3nnn[n-]3)c2)n1 ZINC001590220519 1173299664 /nfs/dbraw/zinc/29/96/64/1173299664.db2.gz PUVOPGYNFWOBLM-VDTYLAMSSA-N -1 1 258.241 1.633 20 0 CDADMM C[C@@H]1C[C@@H]1c1noc(-c2coc(-c3nn[n-]n3)c2)n1 ZINC001590220519 1173299666 /nfs/dbraw/zinc/29/96/66/1173299666.db2.gz PUVOPGYNFWOBLM-VDTYLAMSSA-N -1 1 258.241 1.633 20 0 CDADMM C[C@@H]1CCC(C)(C)N1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590225798 1173305740 /nfs/dbraw/zinc/30/57/40/1173305740.db2.gz ZWAHLBKAUWABIY-MRVPVSSYSA-N -1 1 275.312 1.863 20 0 CDADMM C[C@@H]1CCC(C)(C)N1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590225798 1173305750 /nfs/dbraw/zinc/30/57/50/1173305750.db2.gz ZWAHLBKAUWABIY-MRVPVSSYSA-N -1 1 275.312 1.863 20 0 CDADMM C[C@H]1CC[C@@H](CNC(=O)c2ccsc2-c2nnn[n-]2)O1 ZINC001590230683 1173307040 /nfs/dbraw/zinc/30/70/40/1173307040.db2.gz MZLNBSBMUUUPIX-YUMQZZPRSA-N -1 1 293.352 1.226 20 0 CDADMM C[C@H]1CC[C@@H](CNC(=O)c2ccsc2-c2nn[n-]n2)O1 ZINC001590230683 1173307045 /nfs/dbraw/zinc/30/70/45/1173307045.db2.gz MZLNBSBMUUUPIX-YUMQZZPRSA-N -1 1 293.352 1.226 20 0 CDADMM C[C@@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001590238953 1173310513 /nfs/dbraw/zinc/31/05/13/1173310513.db2.gz XHHMPFJQUOJMFV-BBBLOLIVSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001590238953 1173310520 /nfs/dbraw/zinc/31/05/20/1173310520.db2.gz XHHMPFJQUOJMFV-BBBLOLIVSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001590276951 1173338742 /nfs/dbraw/zinc/33/87/42/1173338742.db2.gz PDNVVARGWQTCPG-SCSAIBSYSA-N -1 1 256.722 1.575 20 0 CDADMM C[C@@H]1CCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590276951 1173338750 /nfs/dbraw/zinc/33/87/50/1173338750.db2.gz PDNVVARGWQTCPG-SCSAIBSYSA-N -1 1 256.722 1.575 20 0 CDADMM C[C@H]1COC[C@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001590326100 1173356770 /nfs/dbraw/zinc/35/67/70/1173356770.db2.gz TXGWHWHHLYYKEZ-CRCLSJGQSA-N -1 1 286.748 1.423 20 0 CDADMM C[C@@H]1OCCN(C(=O)c2ccsc2-c2nnn[n-]2)[C@H]1C ZINC001590338381 1173364759 /nfs/dbraw/zinc/36/47/59/1173364759.db2.gz RJHVNCDCNIJIAM-YUMQZZPRSA-N -1 1 293.352 1.178 20 0 CDADMM C[C@@H]1OCCN(C(=O)c2ccsc2-c2nn[n-]n2)[C@H]1C ZINC001590338381 1173364764 /nfs/dbraw/zinc/36/47/64/1173364764.db2.gz RJHVNCDCNIJIAM-YUMQZZPRSA-N -1 1 293.352 1.178 20 0 CDADMM CC=C(C=CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)CC ZINC001590350346 1173366451 /nfs/dbraw/zinc/36/64/51/1173366451.db2.gz QQQJMYMWXPBNCA-BCTKWJPASA-N -1 1 298.350 1.790 20 0 CDADMM CC=C(C=CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)CC ZINC001590350346 1173366459 /nfs/dbraw/zinc/36/64/59/1173366459.db2.gz QQQJMYMWXPBNCA-BCTKWJPASA-N -1 1 298.350 1.790 20 0 CDADMM CC[C@H](C)n1ncc(Nc2ncncc2-c2nn[n-]n2)c1C ZINC001590418175 1173401420 /nfs/dbraw/zinc/40/14/20/1173401420.db2.gz ILIFWHYISAVFHB-QMMMGPOBSA-N -1 1 299.342 1.876 20 0 CDADMM CC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1noc(C)n1 ZINC001590473066 1173424590 /nfs/dbraw/zinc/42/45/90/1173424590.db2.gz KJOCJPGZDVSCNY-MRVPVSSYSA-N -1 1 286.299 1.516 20 0 CDADMM CC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1noc(C)n1 ZINC001590473066 1173424602 /nfs/dbraw/zinc/42/46/02/1173424602.db2.gz KJOCJPGZDVSCNY-MRVPVSSYSA-N -1 1 286.299 1.516 20 0 CDADMM CC[C@@H](OCCn1cc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001590479023 1173431766 /nfs/dbraw/zinc/43/17/66/1173431766.db2.gz KDXCFWJLHFFHKH-CYBMUJFWSA-N -1 1 299.338 1.626 20 0 CDADMM CCC1(O)CCC(Nc2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001590501587 1173436835 /nfs/dbraw/zinc/43/68/35/1173436835.db2.gz YOMKBFHRQKQEET-UHFFFAOYSA-N -1 1 289.343 1.152 20 0 CDADMM CCC1(O)CCC(Nc2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001590501587 1173436838 /nfs/dbraw/zinc/43/68/38/1173436838.db2.gz YOMKBFHRQKQEET-UHFFFAOYSA-N -1 1 289.343 1.152 20 0 CDADMM CC[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590508090 1173443731 /nfs/dbraw/zinc/44/37/31/1173443731.db2.gz IWBYPVRQPBETCR-VHSXEESVSA-N -1 1 273.344 1.459 20 0 CDADMM CCCCN(C)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001590598799 1173462710 /nfs/dbraw/zinc/46/27/10/1173462710.db2.gz POBUCUFHTCECIS-UHFFFAOYSA-N -1 1 265.342 1.800 20 0 CDADMM CCCCN(C)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001590598799 1173462719 /nfs/dbraw/zinc/46/27/19/1173462719.db2.gz POBUCUFHTCECIS-UHFFFAOYSA-N -1 1 265.342 1.800 20 0 CDADMM CCC[C@H](CNc1cncc(-c2nnn[n-]2)n1)OCC ZINC001590558828 1173463861 /nfs/dbraw/zinc/46/38/61/1173463861.db2.gz XKZRRXYQHBVYMQ-SECBINFHSA-N -1 1 277.332 1.274 20 0 CDADMM CCC[C@H](CNc1cncc(-c2nn[n-]n2)n1)OCC ZINC001590558828 1173463863 /nfs/dbraw/zinc/46/38/63/1173463863.db2.gz XKZRRXYQHBVYMQ-SECBINFHSA-N -1 1 277.332 1.274 20 0 CDADMM CCCC[C@H](C)OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590577444 1173469361 /nfs/dbraw/zinc/46/93/61/1173469361.db2.gz ZDYKDZCPPURLTB-VIFPVBQESA-N -1 1 275.312 1.997 20 0 CDADMM CCCC[C@H](C)OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590577444 1173469367 /nfs/dbraw/zinc/46/93/67/1173469367.db2.gz ZDYKDZCPPURLTB-VIFPVBQESA-N -1 1 275.312 1.997 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCC[C@H](C)C2)n1 ZINC001590907179 1173539473 /nfs/dbraw/zinc/53/94/73/1173539473.db2.gz HKNIICSYEWQJOM-JTQLQIEISA-N -1 1 287.371 1.846 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCC[C@H](C)C2)n1 ZINC001590907179 1173539479 /nfs/dbraw/zinc/53/94/79/1173539479.db2.gz HKNIICSYEWQJOM-JTQLQIEISA-N -1 1 287.371 1.846 20 0 CDADMM CCc1nc(NC[C@@H]2CC=CCC2)cc(-c2nnn[n-]2)n1 ZINC001590918044 1173544682 /nfs/dbraw/zinc/54/46/82/1173544682.db2.gz MZOYNBQMQCRUEJ-SNVBAGLBSA-N -1 1 285.355 1.987 20 0 CDADMM CCc1nc(NC[C@@H]2CC=CCC2)cc(-c2nn[n-]n2)n1 ZINC001590918044 1173544690 /nfs/dbraw/zinc/54/46/90/1173544690.db2.gz MZOYNBQMQCRUEJ-SNVBAGLBSA-N -1 1 285.355 1.987 20 0 CDADMM CN(C(=O)Cc1ccc(-c2nnn[n-]2)nc1)C1CCCC1 ZINC001590984162 1173558120 /nfs/dbraw/zinc/55/81/20/1173558120.db2.gz FZYSQVCCQDMVPM-UHFFFAOYSA-N -1 1 286.339 1.205 20 0 CDADMM CN(C(=O)Cc1ccc(-c2nn[n-]n2)nc1)C1CCCC1 ZINC001590984162 1173558124 /nfs/dbraw/zinc/55/81/24/1173558124.db2.gz FZYSQVCCQDMVPM-UHFFFAOYSA-N -1 1 286.339 1.205 20 0 CDADMM COC(C)(C)CCNc1snc(C)c1-c1nn[n-]n1 ZINC001591316728 1173605464 /nfs/dbraw/zinc/60/54/64/1173605464.db2.gz OZKSEDNCXWFZEE-UHFFFAOYSA-N -1 1 282.373 1.859 20 0 CDADMM CO[C@H]1CCCN(C(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001591354438 1173624745 /nfs/dbraw/zinc/62/47/45/1173624745.db2.gz OBLIYGJDRCEKSB-JTQLQIEISA-N -1 1 291.311 1.101 20 0 CDADMM CO[C@H]1CCCN(C(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001591354438 1173624747 /nfs/dbraw/zinc/62/47/47/1173624747.db2.gz OBLIYGJDRCEKSB-JTQLQIEISA-N -1 1 291.311 1.101 20 0 CDADMM COCC(C)(C)COC(=O)c1sccc1-c1nn[n-]n1 ZINC001591369556 1173634841 /nfs/dbraw/zinc/63/48/41/1173634841.db2.gz QYPOARMFYZZWDS-UHFFFAOYSA-N -1 1 296.352 1.758 20 0 CDADMM COCC1(CNc2ccnc(-c3nnn[n-]3)c2)CCCC1 ZINC001591389978 1173640612 /nfs/dbraw/zinc/64/06/12/1173640612.db2.gz WSTJKDRILZGWLC-UHFFFAOYSA-N -1 1 288.355 1.302 20 0 CDADMM COCC1(CNc2ccnc(-c3nn[n-]n3)c2)CCCC1 ZINC001591389978 1173640617 /nfs/dbraw/zinc/64/06/17/1173640617.db2.gz WSTJKDRILZGWLC-UHFFFAOYSA-N -1 1 288.355 1.302 20 0 CDADMM COc1cc(Cl)ccc1Cn1ccnc1-c1nnn[n-]1 ZINC001591540409 1173665866 /nfs/dbraw/zinc/66/58/66/1173665866.db2.gz YYIYEWBNTXUKHX-UHFFFAOYSA-N -1 1 290.714 1.774 20 0 CDADMM COc1cc(Cl)ccc1Cn1ccnc1-c1nn[n-]n1 ZINC001591540409 1173665869 /nfs/dbraw/zinc/66/58/69/1173665869.db2.gz YYIYEWBNTXUKHX-UHFFFAOYSA-N -1 1 290.714 1.774 20 0 CDADMM CS[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001591702592 1173688538 /nfs/dbraw/zinc/68/85/38/1173688538.db2.gz MVQCKYLOKLYJIX-PSASIEDQSA-N -1 1 291.384 1.743 20 0 CDADMM CS[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001591702592 1173688541 /nfs/dbraw/zinc/68/85/41/1173688541.db2.gz MVQCKYLOKLYJIX-PSASIEDQSA-N -1 1 291.384 1.743 20 0 CDADMM CSc1ncc(OCc2ccc(-c3nnn[n-]3)o2)cn1 ZINC001591721267 1173692222 /nfs/dbraw/zinc/69/22/22/1173692222.db2.gz RKOSQGSEONMVHJ-UHFFFAOYSA-N -1 1 290.308 1.551 20 0 CDADMM CSc1ncc(OCc2ccc(-c3nn[n-]n3)o2)cn1 ZINC001591721267 1173692230 /nfs/dbraw/zinc/69/22/30/1173692230.db2.gz RKOSQGSEONMVHJ-UHFFFAOYSA-N -1 1 290.308 1.551 20 0 CDADMM C[C@@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001591732786 1173693852 /nfs/dbraw/zinc/69/38/52/1173693852.db2.gz OGHDTGPPJULWCM-SSDOTTSWSA-N -1 1 259.269 1.217 20 0 CDADMM C[C@@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001591732786 1173693857 /nfs/dbraw/zinc/69/38/57/1173693857.db2.gz OGHDTGPPJULWCM-SSDOTTSWSA-N -1 1 259.269 1.217 20 0 CDADMM C[C@@H]1c2ccccc2CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001591757906 1173696432 /nfs/dbraw/zinc/69/64/32/1173696432.db2.gz ACFHPLMUJHTRNP-SECBINFHSA-N -1 1 279.307 1.738 20 0 CDADMM Cc1cc(N(C)C[C@H]2CCCCO2)cc(-c2nnn[n-]2)n1 ZINC001591996213 1173766806 /nfs/dbraw/zinc/76/68/06/1173766806.db2.gz ZLVFPPTUJDIIBY-GFCCVEGCSA-N -1 1 288.355 1.575 20 0 CDADMM Cc1cc(N(C)C[C@H]2CCCCO2)cc(-c2nn[n-]n2)n1 ZINC001591996213 1173766809 /nfs/dbraw/zinc/76/68/09/1173766809.db2.gz ZLVFPPTUJDIIBY-GFCCVEGCSA-N -1 1 288.355 1.575 20 0 CDADMM Cc1cc(N(C)Cc2ccccn2)cc(-c2nnn[n-]2)n1 ZINC001591996776 1173768119 /nfs/dbraw/zinc/76/81/19/1173768119.db2.gz HTSYRLOTOAQHNR-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1cc(N(C)Cc2ccccn2)cc(-c2nn[n-]n2)n1 ZINC001591996776 1173768123 /nfs/dbraw/zinc/76/81/23/1173768123.db2.gz HTSYRLOTOAQHNR-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1cc(NC[C@@H]2CC[C@@H](O)C2)nc(-c2nnn[n-]2)c1 ZINC001592044932 1173784078 /nfs/dbraw/zinc/78/40/78/1173784078.db2.gz UMXKLGJOBHSCOF-NXEZZACHSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cc(NC[C@@H]2CC[C@@H](O)C2)nc(-c2nn[n-]n2)c1 ZINC001592044932 1173784081 /nfs/dbraw/zinc/78/40/81/1173784081.db2.gz UMXKLGJOBHSCOF-NXEZZACHSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cc(NCC2SCCS2)cc(-c2nnn[n-]2)n1 ZINC001592045809 1173784869 /nfs/dbraw/zinc/78/48/69/1173784869.db2.gz ZSHSZYPFTCRWTG-UHFFFAOYSA-N -1 1 294.409 1.788 20 0 CDADMM Cc1cc(NCC2SCCS2)cc(-c2nn[n-]n2)n1 ZINC001592045809 1173784874 /nfs/dbraw/zinc/78/48/74/1173784874.db2.gz ZSHSZYPFTCRWTG-UHFFFAOYSA-N -1 1 294.409 1.788 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCCOCC1CCC1 ZINC001592113311 1173804807 /nfs/dbraw/zinc/80/48/07/1173804807.db2.gz ZOUPSYYDKXIPJN-UHFFFAOYSA-N -1 1 288.355 1.799 20 0 CDADMM Cc1nn(C)c(NC(=O)c2ccc(C)cc2)c1-c1nnn[n-]1 ZINC001592129756 1173808280 /nfs/dbraw/zinc/80/82/80/1173808280.db2.gz ZLWMORUOAUHJSB-UHFFFAOYSA-N -1 1 297.322 1.469 20 0 CDADMM Cc1nn(C)c(NC(=O)c2ccc(C)cc2)c1-c1nn[n-]n1 ZINC001592129756 1173808289 /nfs/dbraw/zinc/80/82/89/1173808289.db2.gz ZLWMORUOAUHJSB-UHFFFAOYSA-N -1 1 297.322 1.469 20 0 CDADMM Cc1ccc(N(C)C[C@H]2CCOC2)nc1-c1nnn[n-]1 ZINC001592174795 1173823063 /nfs/dbraw/zinc/82/30/63/1173823063.db2.gz BMRUNFYJCIKGOL-SNVBAGLBSA-N -1 1 274.328 1.043 20 0 CDADMM Cc1ccc(N(C)C[C@H]2CCOC2)nc1-c1nn[n-]n1 ZINC001592174795 1173823064 /nfs/dbraw/zinc/82/30/64/1173823064.db2.gz BMRUNFYJCIKGOL-SNVBAGLBSA-N -1 1 274.328 1.043 20 0 CDADMM Cc1ccc(NC2CCOCC2)nc1-c1nnn[n-]1 ZINC001592184007 1173823278 /nfs/dbraw/zinc/82/32/78/1173823278.db2.gz OFJDPAMKLHGVAV-UHFFFAOYSA-N -1 1 260.301 1.161 20 0 CDADMM Cc1ccc(NC2CCOCC2)nc1-c1nn[n-]n1 ZINC001592184007 1173823285 /nfs/dbraw/zinc/82/32/85/1173823285.db2.gz OFJDPAMKLHGVAV-UHFFFAOYSA-N -1 1 260.301 1.161 20 0 CDADMM Cc1ccc(N[C@H](C)[C@@H]2CCOC2)nc1-c1nnn[n-]1 ZINC001592183295 1173827961 /nfs/dbraw/zinc/82/79/61/1173827961.db2.gz CWAQQBZHCOPKLZ-NXEZZACHSA-N -1 1 274.328 1.407 20 0 CDADMM Cc1ccc(N[C@H](C)[C@@H]2CCOC2)nc1-c1nn[n-]n1 ZINC001592183295 1173827962 /nfs/dbraw/zinc/82/79/62/1173827962.db2.gz CWAQQBZHCOPKLZ-NXEZZACHSA-N -1 1 274.328 1.407 20 0 CDADMM Cc1nc([C@@H](C)Nc2ccc(C)nc2-c2nnn[n-]2)no1 ZINC001592184551 1173828086 /nfs/dbraw/zinc/82/80/86/1173828086.db2.gz UJMCYSJLMVDIOL-SSDOTTSWSA-N -1 1 286.299 1.435 20 0 CDADMM Cc1nc([C@@H](C)Nc2ccc(C)nc2-c2nn[n-]n2)no1 ZINC001592184551 1173828091 /nfs/dbraw/zinc/82/80/91/1173828091.db2.gz UJMCYSJLMVDIOL-SSDOTTSWSA-N -1 1 286.299 1.435 20 0 CDADMM Cc1cccc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)n1 ZINC001592220979 1173833685 /nfs/dbraw/zinc/83/36/85/1173833685.db2.gz AQWLYGLTGFKDHH-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1cccc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)n1 ZINC001592220979 1173833688 /nfs/dbraw/zinc/83/36/88/1173833688.db2.gz AQWLYGLTGFKDHH-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1cccc(OC(=O)c2cccc(-c3nnn[n-]3)n2)c1F ZINC001592236725 1173836676 /nfs/dbraw/zinc/83/66/76/1173836676.db2.gz OYKSWEJCCOZSDG-UHFFFAOYSA-N -1 1 299.265 1.928 20 0 CDADMM Cc1cccc(OC(=O)c2cccc(-c3nn[n-]n3)n2)c1F ZINC001592236725 1173836680 /nfs/dbraw/zinc/83/66/80/1173836680.db2.gz OYKSWEJCCOZSDG-UHFFFAOYSA-N -1 1 299.265 1.928 20 0 CDADMM Cc1ccn([C@@H]2CCC(C)(C)C2=O)c(=O)c1-c1nn[n-]n1 ZINC001592265412 1173837876 /nfs/dbraw/zinc/83/78/76/1173837876.db2.gz XHZNSXNOAWYKKQ-SECBINFHSA-N -1 1 287.323 1.267 20 0 CDADMM Cc1[nH]nc(NC(=O)C2(C)CCCC2)c1-c1nn[n-]n1 ZINC001592327183 1173853811 /nfs/dbraw/zinc/85/38/11/1173853811.db2.gz FEAATJKXINBWFR-UHFFFAOYSA-N -1 1 275.316 1.417 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@H]2CCC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001592327113 1173853868 /nfs/dbraw/zinc/85/38/68/1173853868.db2.gz CMPACWNJQLPWRW-APPZFPTMSA-N -1 1 289.343 1.663 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC(C)(C)C[C@H]2C)n1 ZINC001592337339 1173859798 /nfs/dbraw/zinc/85/97/98/1173859798.db2.gz HEIQCLLDMUIRBF-MRVPVSSYSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC(C)(C)C[C@H]2C)n1 ZINC001592337339 1173859804 /nfs/dbraw/zinc/85/98/04/1173859804.db2.gz HEIQCLLDMUIRBF-MRVPVSSYSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@@H]2CCO[C@H](C)C2)c1C ZINC001592340620 1173861613 /nfs/dbraw/zinc/86/16/13/1173861613.db2.gz YOTYAVFHAKXQAE-LDYMZIIASA-N -1 1 276.344 1.495 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@@H]2CCO[C@H](C)C2)c1C ZINC001592340620 1173861615 /nfs/dbraw/zinc/86/16/15/1173861615.db2.gz YOTYAVFHAKXQAE-LDYMZIIASA-N -1 1 276.344 1.495 20 0 CDADMM Cc1ncc(CNC(=O)c2ccc(-c3nnn[n-]3)o2)s1 ZINC001592411245 1173884316 /nfs/dbraw/zinc/88/43/16/1173884316.db2.gz CBEKNGUGFUSSNK-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1ncc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)s1 ZINC001592411245 1173884321 /nfs/dbraw/zinc/88/43/21/1173884321.db2.gz CBEKNGUGFUSSNK-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC1CC(F)(F)C1 ZINC001592501295 1173907257 /nfs/dbraw/zinc/90/72/57/1173907257.db2.gz FNHBTKDDAAPWMH-UHFFFAOYSA-N -1 1 297.265 1.543 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC1CC(F)(F)C1 ZINC001592501295 1173907263 /nfs/dbraw/zinc/90/72/63/1173907263.db2.gz FNHBTKDDAAPWMH-UHFFFAOYSA-N -1 1 297.265 1.543 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C)c1cccnc1 ZINC001592500085 1173907941 /nfs/dbraw/zinc/90/79/41/1173907941.db2.gz KQAXIEDFORZHFD-QMMMGPOBSA-N -1 1 298.306 1.654 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C)c1cccnc1 ZINC001592500085 1173907945 /nfs/dbraw/zinc/90/79/45/1173907945.db2.gz KQAXIEDFORZHFD-QMMMGPOBSA-N -1 1 298.306 1.654 20 0 CDADMM Cn1cc(COC(=O)c2sccc2-c2nn[n-]n2)cn1 ZINC001592572893 1173921304 /nfs/dbraw/zinc/92/13/04/1173921304.db2.gz WOQIOLLNLVIOTO-UHFFFAOYSA-N -1 1 290.308 1.019 20 0 CDADMM FC(F)CN1CC[C@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001592625327 1173933611 /nfs/dbraw/zinc/93/36/11/1173933611.db2.gz TZBFUQMISJWZNF-QMMMGPOBSA-N -1 1 295.297 1.013 20 0 CDADMM FC(F)CN1CC[C@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001592625327 1173933616 /nfs/dbraw/zinc/93/36/16/1173933616.db2.gz TZBFUQMISJWZNF-QMMMGPOBSA-N -1 1 295.297 1.013 20 0 CDADMM F[C@]1(c2ccccc2)C[C@@H]1Nc1ncncc1-c1nn[n-]n1 ZINC001592630330 1173938842 /nfs/dbraw/zinc/93/88/42/1173938842.db2.gz IPUONIKOYXWMDR-FZMZJTMJSA-N -1 1 297.297 1.706 20 0 CDADMM Fc1nccnc1NCc1ccc(-c2nn[n-]n2)s1 ZINC001592663151 1173958351 /nfs/dbraw/zinc/95/83/51/1173958351.db2.gz TZUBAXVEXCGHNM-UHFFFAOYSA-N -1 1 277.288 1.469 20 0 CDADMM O=C(NC1(C2CCC2)CCC1)c1coc(-c2nnn[n-]2)c1 ZINC001592956675 1174006812 /nfs/dbraw/zinc/00/68/12/1174006812.db2.gz LVOBYNNUCNHXIG-UHFFFAOYSA-N -1 1 287.323 1.912 20 0 CDADMM O=C(NC1(C2CCC2)CCC1)c1coc(-c2nn[n-]n2)c1 ZINC001592956675 1174006817 /nfs/dbraw/zinc/00/68/17/1174006817.db2.gz LVOBYNNUCNHXIG-UHFFFAOYSA-N -1 1 287.323 1.912 20 0 CDADMM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1csc(-c2nn[n-]n2)c1 ZINC001592982547 1174009943 /nfs/dbraw/zinc/00/99/43/1174009943.db2.gz JOPUWDTXQNFRTB-FKTZTGRPSA-N -1 1 289.364 1.847 20 0 CDADMM O=C(NCC(C1CC1)C1CC1)c1coc(-c2nnn[n-]2)c1 ZINC001593005161 1174012058 /nfs/dbraw/zinc/01/20/58/1174012058.db2.gz UVORMLQNSDXBQY-UHFFFAOYSA-N -1 1 287.323 1.626 20 0 CDADMM O=C(NCC(C1CC1)C1CC1)c1coc(-c2nn[n-]n2)c1 ZINC001593005161 1174012063 /nfs/dbraw/zinc/01/20/63/1174012063.db2.gz UVORMLQNSDXBQY-UHFFFAOYSA-N -1 1 287.323 1.626 20 0 CDADMM O=C(NCC1CC(F)(F)C1)c1ccc(-c2nnn[n-]2)s1 ZINC001593022314 1174012326 /nfs/dbraw/zinc/01/23/26/1174012326.db2.gz ADCORVSULHVGER-UHFFFAOYSA-N -1 1 299.306 1.703 20 0 CDADMM O=C(NCC1CC(F)(F)C1)c1ccc(-c2nn[n-]n2)s1 ZINC001593022314 1174012331 /nfs/dbraw/zinc/01/23/31/1174012331.db2.gz ADCORVSULHVGER-UHFFFAOYSA-N -1 1 299.306 1.703 20 0 CDADMM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1csc(-c2nn[n-]n2)c1 ZINC001593004222 1174014050 /nfs/dbraw/zinc/01/40/50/1174014050.db2.gz MBSGYUSCBMJNEI-DIYOJNKTSA-N -1 1 275.337 1.457 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccccc1Cl ZINC001593199850 1174030924 /nfs/dbraw/zinc/03/09/24/1174030924.db2.gz SDOYYJBXUMNBNL-UHFFFAOYSA-N -1 1 289.686 1.496 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccccc1Cl ZINC001593199850 1174030929 /nfs/dbraw/zinc/03/09/29/1174030929.db2.gz SDOYYJBXUMNBNL-UHFFFAOYSA-N -1 1 289.686 1.496 20 0 CDADMM O=C(Nc1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)o1 ZINC001593210059 1174034744 /nfs/dbraw/zinc/03/47/44/1174034744.db2.gz OZBDWOLRJVJWAO-UHFFFAOYSA-N -1 1 291.217 1.990 20 0 CDADMM O=C(Nc1ccc(O)cc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593235268 1174037659 /nfs/dbraw/zinc/03/76/59/1174037659.db2.gz QBOPAWYHDCOBDK-UHFFFAOYSA-N -1 1 282.263 1.220 20 0 CDADMM O=C(Nc1ccc(O)cc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593235268 1174037668 /nfs/dbraw/zinc/03/76/68/1174037668.db2.gz QBOPAWYHDCOBDK-UHFFFAOYSA-N -1 1 282.263 1.220 20 0 CDADMM O=C(Nc1ccc(Cl)nn1)c1ccc(-c2nnn[n-]2)o1 ZINC001593228748 1174038502 /nfs/dbraw/zinc/03/85/02/1174038502.db2.gz BMZBMVUHUAPEOL-UHFFFAOYSA-N -1 1 291.658 1.155 20 0 CDADMM O=C(Nc1ccc(Cl)nn1)c1ccc(-c2nn[n-]n2)o1 ZINC001593228748 1174038508 /nfs/dbraw/zinc/03/85/08/1174038508.db2.gz BMZBMVUHUAPEOL-UHFFFAOYSA-N -1 1 291.658 1.155 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1CCCOCC1 ZINC001593244430 1174039547 /nfs/dbraw/zinc/03/95/47/1174039547.db2.gz XNCRCDDQLSWMDW-SECBINFHSA-N -1 1 288.311 1.017 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1CCCOCC1 ZINC001593244430 1174039554 /nfs/dbraw/zinc/03/95/54/1174039554.db2.gz XNCRCDDQLSWMDW-SECBINFHSA-N -1 1 288.311 1.017 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@H]1C[C@H]1C1CCCC1 ZINC001593261568 1174043438 /nfs/dbraw/zinc/04/34/38/1174043438.db2.gz WSIXITAIEYPROT-IUCAKERBSA-N -1 1 287.327 1.355 20 0 CDADMM O=C(Nc1cnn2c1CCCC2)c1coc(-c2nnn[n-]2)c1 ZINC001593261097 1174043511 /nfs/dbraw/zinc/04/35/11/1174043511.db2.gz JJDVPHROIMRLIJ-UHFFFAOYSA-N -1 1 299.294 1.245 20 0 CDADMM O=C(Nc1cnn2c1CCCC2)c1coc(-c2nn[n-]n2)c1 ZINC001593261097 1174043520 /nfs/dbraw/zinc/04/35/20/1174043520.db2.gz JJDVPHROIMRLIJ-UHFFFAOYSA-N -1 1 299.294 1.245 20 0 CDADMM O=C([O-])C[C@H]([NH2+]Cc1csc(-c2nn[n-]n2)c1)C1CC1 ZINC001593275307 1174045127 /nfs/dbraw/zinc/04/51/27/1174045127.db2.gz ADVGDJBWLWNUCO-VIFPVBQESA-N -1 1 293.352 1.271 20 0 CDADMM O=C(OCC1CC2(CCC2)C1)c1cccc(-c2nnn[n-]2)n1 ZINC001593284301 1174050510 /nfs/dbraw/zinc/05/05/10/1174050510.db2.gz HKHITGBIDRCXSB-UHFFFAOYSA-N -1 1 299.334 1.999 20 0 CDADMM O=C(OCC1CC2(CCC2)C1)c1cccc(-c2nn[n-]n2)n1 ZINC001593284301 1174050512 /nfs/dbraw/zinc/05/05/12/1174050512.db2.gz HKHITGBIDRCXSB-UHFFFAOYSA-N -1 1 299.334 1.999 20 0 CDADMM O=C(OCCCF)c1ccsc1-c1nnn[n-]1 ZINC001593286987 1174054113 /nfs/dbraw/zinc/05/41/13/1174054113.db2.gz BJAMJZWIUGXIDF-UHFFFAOYSA-N -1 1 256.262 1.445 20 0 CDADMM O=C(OCCCF)c1ccsc1-c1nn[n-]n1 ZINC001593286987 1174054121 /nfs/dbraw/zinc/05/41/21/1174054121.db2.gz BJAMJZWIUGXIDF-UHFFFAOYSA-N -1 1 256.262 1.445 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)[C@H]1CCCOC1 ZINC001593299809 1174057978 /nfs/dbraw/zinc/05/79/78/1174057978.db2.gz YXHFCYYQGBIHOJ-QMMMGPOBSA-N -1 1 294.336 1.398 20 0 CDADMM O=C(c1ccsc1-c1nnn[n-]1)N1CC2(CC2(F)F)C1 ZINC001593360991 1174070550 /nfs/dbraw/zinc/07/05/50/1174070550.db2.gz PCNSUGRZNWDVJB-UHFFFAOYSA-N -1 1 297.290 1.409 20 0 CDADMM O=C(c1ccsc1-c1nn[n-]n1)N1CC2(CC2(F)F)C1 ZINC001593360991 1174070553 /nfs/dbraw/zinc/07/05/53/1174070553.db2.gz PCNSUGRZNWDVJB-UHFFFAOYSA-N -1 1 297.290 1.409 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1C[C@H]1CC2CCC1CC2 ZINC001593493180 1174088339 /nfs/dbraw/zinc/08/83/39/1174088339.db2.gz AUEUXDQHOQWETO-GCZXYKMCSA-N -1 1 285.351 1.855 20 0 CDADMM c1c(-c2nnn[n-]2)nc(C2CC2)nc1N1C[C@@H]2CCCC[C@@H]21 ZINC001593543782 1174111941 /nfs/dbraw/zinc/11/19/41/1174111941.db2.gz YYHOKNKMXIWFCG-JQWIXIFHSA-N -1 1 297.366 1.913 20 0 CDADMM c1c(-c2nn[n-]n2)nc(C2CC2)nc1N1C[C@@H]2CCCC[C@@H]21 ZINC001593543782 1174111943 /nfs/dbraw/zinc/11/19/43/1174111943.db2.gz YYHOKNKMXIWFCG-JQWIXIFHSA-N -1 1 297.366 1.913 20 0 CDADMM c1cc(N[C@@H]2C[C@H]2C2CCOCC2)nc(-c2nnn[n-]2)c1 ZINC001593561354 1174138203 /nfs/dbraw/zinc/13/82/03/1174138203.db2.gz PRYSGDSDPYEHMS-CMPLNLGQSA-N -1 1 286.339 1.489 20 0 CDADMM c1cc(N[C@@H]2C[C@H]2C2CCOCC2)nc(-c2nn[n-]n2)c1 ZINC001593561354 1174138206 /nfs/dbraw/zinc/13/82/06/1174138206.db2.gz PRYSGDSDPYEHMS-CMPLNLGQSA-N -1 1 286.339 1.489 20 0 CDADMM c1nc(NCC[C@@H]2CCCS2)cc(-c2nnn[n-]2)n1 ZINC001593590642 1174157233 /nfs/dbraw/zinc/15/72/33/1174157233.db2.gz AWENYGNXWMRTPU-QMMMGPOBSA-N -1 1 277.357 1.354 20 0 CDADMM c1nc(NCC[C@@H]2CCCS2)cc(-c2nn[n-]n2)n1 ZINC001593590642 1174157237 /nfs/dbraw/zinc/15/72/37/1174157237.db2.gz AWENYGNXWMRTPU-QMMMGPOBSA-N -1 1 277.357 1.354 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(N2CCC3(CCCC3)CC2)n1 ZINC001593591528 1174160269 /nfs/dbraw/zinc/16/02/69/1174160269.db2.gz MHUVDTYCBPYZAY-UHFFFAOYSA-N -1 1 285.355 1.817 20 0 CDADMM COc1cccnc1[N-]C(=O)c1nc(-c2cnccn2)no1 ZINC001598100006 1174307248 /nfs/dbraw/zinc/30/72/48/1174307248.db2.gz RBUUDMVWKTWVLA-UHFFFAOYSA-N -1 1 298.262 1.183 20 0 CDADMM Cc1cc(C(=O)CN2C[C@H](C)[C@@](C)(C(=O)[O-])C2)c(C)n1C ZINC001600077406 1174354100 /nfs/dbraw/zinc/35/41/00/1174354100.db2.gz ZTCRJFWZWOAZJP-QFYYESIMSA-N -1 1 292.379 1.867 20 0 CDADMM Cc1cc([C@H]2CCCCN2C(=O)[C@H]2C[C@H]2C(=O)[O-])n[nH]1 ZINC001600183429 1174390863 /nfs/dbraw/zinc/39/08/63/1174390863.db2.gz YGYMYRJXKKJSMV-HOSYDEDBSA-N -1 1 277.324 1.492 20 0 CDADMM Cc1cc(CN2CCN3C(=O)CC[C@@H]3C2)ccc1C(=O)[O-] ZINC001600194724 1174400581 /nfs/dbraw/zinc/40/05/81/1174400581.db2.gz OXMUQDXXHFJXOR-CYBMUJFWSA-N -1 1 288.347 1.500 20 0 CDADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccsc1 ZINC000095230662 1174516801 /nfs/dbraw/zinc/51/68/01/1174516801.db2.gz SRQPVHMQYIOAJK-ZETCQYMHSA-N -1 1 273.325 1.891 20 0 CDADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccsc1 ZINC000095230662 1174516807 /nfs/dbraw/zinc/51/68/07/1174516807.db2.gz SRQPVHMQYIOAJK-ZETCQYMHSA-N -1 1 273.325 1.891 20 0 CDADMM Cc1cnccc1CCN1CC[C@@](F)(C(=O)[O-])C1 ZINC001600629713 1174540563 /nfs/dbraw/zinc/54/05/63/1174540563.db2.gz AQTDQZDRPNCYRL-ZDUSSCGKSA-N -1 1 252.289 1.431 20 0 CDADMM Cc1[nH]ncc1CN(C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001600674529 1174557959 /nfs/dbraw/zinc/55/79/59/1174557959.db2.gz MBXWJDZRUIVPGX-UHFFFAOYSA-N -1 1 291.282 1.828 20 0 CDADMM Cc1nocc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001600817055 1174627169 /nfs/dbraw/zinc/62/71/69/1174627169.db2.gz XMOWRFXDYUODKL-UHFFFAOYSA-N -1 1 286.247 1.810 20 0 CDADMM Cc1oc(CN2C[C@H](O)CC(C)(C)C2)cc1C(=O)[O-] ZINC001600845020 1174639758 /nfs/dbraw/zinc/63/97/58/1174639758.db2.gz DWPLORQNZZVEOJ-SNVBAGLBSA-N -1 1 267.325 1.879 20 0 CDADMM Cn1cc(C2=CCCN(Cc3oncc3C(=O)[O-])C2)cn1 ZINC001600945887 1174673358 /nfs/dbraw/zinc/67/33/58/1174673358.db2.gz OTAWDNDJEFFYFQ-UHFFFAOYSA-N -1 1 288.307 1.396 20 0 CDADMM Cn1cc(CN[C@H]2CCN(C(C)(C)C)C2=O)cc1C(=O)[O-] ZINC001600955702 1174679630 /nfs/dbraw/zinc/67/96/30/1174679630.db2.gz SROFLTAOOBYOEA-NSHDSACASA-N -1 1 293.367 1.212 20 0 CDADMM Cn1ccc(CN2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)n1 ZINC001600976287 1174688552 /nfs/dbraw/zinc/68/85/52/1174688552.db2.gz NNEMNVCJGWMUNM-OAHLLOKOSA-N -1 1 293.367 1.002 20 0 CDADMM Cn1cccc1C(=O)CN1CCC[C@@H]1CC(=O)[O-] ZINC001600978450 1174689935 /nfs/dbraw/zinc/68/99/35/1174689935.db2.gz CCGLJEBJDLWPBL-SNVBAGLBSA-N -1 1 250.298 1.147 20 0 CDADMM Cn1nc(CN[C@]2(CC(=O)[O-])CCCOC2)cc1Cl ZINC001601010540 1174700795 /nfs/dbraw/zinc/70/07/95/1174700795.db2.gz WFHPYQVGVRJJPO-LBPRGKRZSA-N -1 1 287.747 1.187 20 0 CDADMM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1[C@@H](C(=O)[O-])c1ccccc1 ZINC001601141351 1174760875 /nfs/dbraw/zinc/76/08/75/1174760875.db2.gz LEUIODDBCUQRAA-DGAVXFQQSA-N -1 1 288.347 1.398 20 0 CDADMM Nc1nc2c(c(NC3CC(CC(=O)[O-])C3)n1)CCCC2 ZINC001601220245 1174796961 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O=C([O-])C[C@H]1CCCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC001601949795 1175081888 /nfs/dbraw/zinc/08/18/88/1175081888.db2.gz IWXCQLLYYRXMKV-SNVBAGLBSA-N -1 1 255.314 1.571 20 0 CDADMM O=C([O-])C[C@@H]1CN(Cc2cccc3ncccc23)CCO1 ZINC001601961917 1175087960 /nfs/dbraw/zinc/08/79/60/1175087960.db2.gz QOHNEXUWWZGZJX-CYBMUJFWSA-N -1 1 286.331 1.910 20 0 CDADMM O=C([O-])CCCN1CCN(Cc2cncs2)CC1 ZINC001601990965 1175101819 /nfs/dbraw/zinc/10/18/19/1175101819.db2.gz CAQPXXLQALMGII-UHFFFAOYSA-N -1 1 269.370 1.126 20 0 CDADMM O=C([O-])CCNC(=O)CN1CCC(C2CCCCC2)CC1 ZINC001602019240 1175112216 /nfs/dbraw/zinc/11/22/16/1175112216.db2.gz FMYIAHJXFPUWQQ-UHFFFAOYSA-N -1 1 296.411 1.870 20 0 CDADMM O=C([O-])c1cc(CN[C@H](c2nnc[nH]2)c2ccccc2)c[nH]1 ZINC001602260379 1175187061 /nfs/dbraw/zinc/18/70/61/1175187061.db2.gz QZOZTRTXVKNKKM-ZDUSSCGKSA-N -1 1 297.318 1.710 20 0 CDADMM O=C([O-])c1cccc(Cl)c1CN1C[C@@H](O)C2(CC2)C1 ZINC001602441443 1175241751 /nfs/dbraw/zinc/24/17/51/1175241751.db2.gz MJTVMEMIVDFLNE-GFCCVEGCSA-N -1 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Cc1ccc(-c2cc(=NC(=O)[C@@H](C)C(=O)[O-])[nH][nH]2)o1 ZINC000577373064 317316958 /nfs/dbraw/zinc/31/69/58/317316958.db2.gz HGHWAFSAZFJQLD-SSDOTTSWSA-N -1 1 263.253 1.059 20 0 CDADMM Cc1cc(NC[C@H]2CCC[C@@H]2O)nc(-c2nnn[n-]2)c1 ZINC001592051723 1173785501 /nfs/dbraw/zinc/78/55/01/1173785501.db2.gz BUFNPCXYCJVLIV-KOLCDFICSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cc(NC[C@H]2CCC[C@@H]2O)nc(-c2nn[n-]n2)c1 ZINC001592051723 1173785506 /nfs/dbraw/zinc/78/55/06/1173785506.db2.gz BUFNPCXYCJVLIV-KOLCDFICSA-N -1 1 274.328 1.143 20 0 CDADMM COc1cc(C(=O)[N-]c2nc(C(C)=O)cs2)on1 ZINC000183407058 323334137 /nfs/dbraw/zinc/33/41/37/323334137.db2.gz PPWDTDLPMGVWMR-UHFFFAOYSA-N -1 1 267.266 1.595 20 0 CDADMM Cc1nc(N[C@@]23C[C@@H]2CCCC3)cc(-c2nn[n-]n2)n1 ZINC001592380167 1173874176 /nfs/dbraw/zinc/87/41/76/1173874176.db2.gz DGDMHJSQQLRIQT-ZANVPECISA-N -1 1 271.328 1.710 20 0 CDADMM O=C([O-])c1coc(=N[C@@H]2CCC[C@@H]3OCC[C@@H]32)[nH]1 ZINC000579130033 324116011 /nfs/dbraw/zinc/11/60/11/324116011.db2.gz 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CCCOCc1nc2cc(F)c([O-])cc2c(=O)[nH]1 ZINC000668144941 483582751 /nfs/dbraw/zinc/58/27/51/483582751.db2.gz HUTTYKBLZHTRDZ-UHFFFAOYSA-N -1 1 252.245 1.694 20 0 CDADMM CC(C)NC(=O)CN(C)C(=O)c1cc(F)ccc1[O-] ZINC000081957473 519704803 /nfs/dbraw/zinc/70/48/03/519704803.db2.gz YJNNMUNTCYKLDP-UHFFFAOYSA-N -1 1 268.288 1.128 20 0 CDADMM CC(C)[C@@H](NC(=O)c1cncc([O-])c1)c1nncn1C ZINC000340738474 519798666 /nfs/dbraw/zinc/79/86/66/519798666.db2.gz HXJKWZUPKPKBCB-LLVKDONJSA-N -1 1 275.312 1.043 20 0 CDADMM CC(C)c1nc(=NCCCOC[C@@H]2CCOC2)o[n-]1 ZINC000354339872 519858138 /nfs/dbraw/zinc/85/81/38/519858138.db2.gz NNFYLORJIZYFGD-NSHDSACASA-N -1 1 269.345 1.470 20 0 CDADMM CCCCCC[C@H](C)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000364701169 520126015 /nfs/dbraw/zinc/12/60/15/520126015.db2.gz WDIMLIRTCZFBQQ-RYUDHWBXSA-N -1 1 295.387 1.706 20 0 CDADMM CCN(C(C)=O)c1nc(CN[C@@H](C(=O)[O-])C2CC2)cs1 ZINC000054522658 520134791 /nfs/dbraw/zinc/13/47/91/520134791.db2.gz MGOLGEXWDYUZES-LLVKDONJSA-N -1 1 297.380 1.469 20 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296.754 1.916 20 0 CDADMM C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[C@@H](C(=O)[O-])C1 ZINC000246518662 524269621 /nfs/dbraw/zinc/26/96/21/524269621.db2.gz RAFOOPSSGUBQNR-VHSXEESVSA-N -1 1 280.299 1.559 20 0 CDADMM C[C@H](CN(C)C(=O)Cc1c[nH]c2ccccc12)c1nn[n-]n1 ZINC000183438562 524277819 /nfs/dbraw/zinc/27/78/19/524277819.db2.gz LHLFUWKTISBXRB-SNVBAGLBSA-N -1 1 298.350 1.486 20 0 CDADMM C[C@@H](CC1CCCC1)C(=O)NC(C)(C)c1nn[n-]n1 ZINC000354774731 524433672 /nfs/dbraw/zinc/43/36/72/524433672.db2.gz PNNJURNMVLESCV-VIFPVBQESA-N -1 1 265.361 1.767 20 0 CDADMM Cc1cc([C@@H](NC(=O)c2[nH]ncc2F)C(=O)[O-])ccc1F ZINC001600149678 1174380143 /nfs/dbraw/zinc/38/01/43/1174380143.db2.gz USDSCRAUDWKXNQ-SNVBAGLBSA-N -1 1 295.245 1.552 20 0 CDADMM Cc1cc(CN(C)CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])cs1 ZINC001600189575 1174394979 /nfs/dbraw/zinc/39/49/79/1174394979.db2.gz ANJCZVZOUHIKDF-NWDGAFQWSA-N -1 1 296.392 1.325 20 0 CDADMM O=C(N[C@H](CO)Cc1ccc(F)cc1)c1cncc([O-])c1 ZINC000340007217 526996156 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CDADMM Fc1ccc(F)c(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000737660289 574498711 /nfs/dbraw/zinc/49/87/11/574498711.db2.gz PZUPZUORMKLKNN-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM COC(=O)c1cc(F)ccc1CN(C)CC(=O)[O-] ZINC000737654592 574510002 /nfs/dbraw/zinc/51/00/02/574510002.db2.gz UXOLGCHQMKSVKQ-UHFFFAOYSA-N -1 1 255.245 1.129 20 0 CDADMM Cc1cc(CNC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)[nH]n1 ZINC000738386153 574529906 /nfs/dbraw/zinc/52/99/06/574529906.db2.gz VCQHHSFWUUREEW-NSHDSACASA-N -1 1 292.339 1.114 20 0 CDADMM O=C(COC1CCCC1)OCCC[N-]C(=O)C(F)(F)F ZINC000774930401 575252351 /nfs/dbraw/zinc/25/23/51/575252351.db2.gz HUDCPRJKALJPFY-UHFFFAOYSA-N -1 1 297.273 1.557 20 0 CDADMM O=C([O-])[C@]12C[C@H]1CCCN2CC(=O)Nc1ccccc1 ZINC001601313782 1174830895 /nfs/dbraw/zinc/83/08/95/1174830895.db2.gz UXIKICONRTUNBZ-ABAIWWIYSA-N -1 1 274.320 1.564 20 0 CDADMM O=C([O-])c1cccc(NC(=O)CN2CCCCCCC2)n1 ZINC001601313012 1174831978 /nfs/dbraw/zinc/83/19/78/1174831978.db2.gz NCPTWZGQGGZGFI-UHFFFAOYSA-N -1 1 291.351 1.984 20 0 CDADMM C[C@H](OC(=O)c1ccc(Cl)c(Cl)c1[O-])C(N)=O ZINC000730360285 574924811 /nfs/dbraw/zinc/92/48/11/574924811.db2.gz DWKIDERQFWXWGI-BYPYZUCNSA-N -1 1 278.091 1.730 20 0 CDADMM O=C([O-])[C@H](CF)NCc1ccccc1OC(F)F ZINC001601650020 1174929574 /nfs/dbraw/zinc/92/95/74/1174929574.db2.gz MVSCARVLBPECQU-QMMMGPOBSA-N -1 1 263.215 1.800 20 0 CDADMM CSC[C@H](C)C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000731385895 575046626 /nfs/dbraw/zinc/04/66/26/575046626.db2.gz STWXTHMPHRFUBF-JTQLQIEISA-N -1 1 295.360 1.485 20 0 CDADMM CC(C)(C)c1ccc(C=CC(=O)NCc2nn[n-]n2)cc1 ZINC000731888247 575069661 /nfs/dbraw/zinc/06/96/61/575069661.db2.gz RSEYNQOKSOWJIU-TWGQIWQCSA-N -1 1 285.351 1.827 20 0 CDADMM C[C@@H]1CCCC[C@@H]1CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732089799 575079319 /nfs/dbraw/zinc/07/93/19/575079319.db2.gz NANKULJRBASRJE-IJLUTSLNSA-N -1 1 293.371 1.316 20 0 CDADMM O=C([O-])[C@@H]1[C@H](CN2CCN(c3ccccc3)CC2)C1(F)F ZINC001601747866 1174982404 /nfs/dbraw/zinc/98/24/04/1174982404.db2.gz 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/nfs/dbraw/zinc/82/68/45/575826845.db2.gz ZWWJTZBXJUSHFP-UHFFFAOYSA-N -1 1 287.250 1.931 20 0 CDADMM CSCCCCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737182897 575897334 /nfs/dbraw/zinc/89/73/34/575897334.db2.gz RRIZPWFETDBHSM-UHFFFAOYSA-N -1 1 292.368 1.135 20 0 CDADMM CSCCCCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737182897 575897336 /nfs/dbraw/zinc/89/73/36/575897336.db2.gz RRIZPWFETDBHSM-UHFFFAOYSA-N -1 1 292.368 1.135 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)[C@H]1CCOC1 ZINC000765097001 575985864 /nfs/dbraw/zinc/98/58/64/575985864.db2.gz GJXTUEKXNAQPCD-ONGXEEELSA-N -1 1 293.367 1.769 20 0 CDADMM COC(=O)[C@H]1CCCN(Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000737586391 575997509 /nfs/dbraw/zinc/99/75/09/575997509.db2.gz XMZAUVITFXMLBK-JTQLQIEISA-N -1 1 281.308 1.671 20 0 CDADMM CC(C)N(C)CC(=O)Nc1ccccc1CC(=O)[O-] ZINC000737634541 576005768 /nfs/dbraw/zinc/00/57/68/576005768.db2.gz FTBHEEJKZBRZFQ-UHFFFAOYSA-N -1 1 264.325 1.592 20 0 CDADMM Cc1ccc(CCC(=O)OCc2nc(=O)n(C)[n-]2)c(C)c1 ZINC000765430806 576021135 /nfs/dbraw/zinc/02/11/35/576021135.db2.gz KCATZFGAEFNYGJ-UHFFFAOYSA-N -1 1 289.335 1.401 20 0 CDADMM C[C@@H](C(=O)OCc1nc(=O)n(C)[n-]1)c1ccsc1 ZINC000765480246 576028414 /nfs/dbraw/zinc/02/84/14/576028414.db2.gz PSQNZHDGELWZRY-SSDOTTSWSA-N -1 1 267.310 1.017 20 0 CDADMM Cn1[n-]c(COC(=O)c2cccc(-c3ccoc3)c2)nc1=O ZINC000765498495 576031436 /nfs/dbraw/zinc/03/14/36/576031436.db2.gz WXEJAIVCZMLTSX-UHFFFAOYSA-N -1 1 299.286 1.725 20 0 CDADMM CCCCC[C@@H](CC)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765500998 576032011 /nfs/dbraw/zinc/03/20/11/576032011.db2.gz FASKSPLBMQGXKE-SNVBAGLBSA-N -1 1 269.345 1.758 20 0 CDADMM O=C(OCc1nccs1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738245203 576052969 /nfs/dbraw/zinc/05/29/69/576052969.db2.gz OVTZHCHXWCFDFV-UHFFFAOYSA-N -1 1 288.292 1.075 20 0 CDADMM O=C(OCc1nccs1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738245203 576052971 /nfs/dbraw/zinc/05/29/71/576052971.db2.gz OVTZHCHXWCFDFV-UHFFFAOYSA-N -1 1 288.292 1.075 20 0 CDADMM O=C(c1ccc(Cl)s1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000738266604 576054769 /nfs/dbraw/zinc/05/47/69/576054769.db2.gz JCAMUVBFHVIVQK-ZCFIWIBFSA-N -1 1 299.743 1.128 20 0 CDADMM O=C(c1cccc(Cl)c1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000738274976 576055288 /nfs/dbraw/zinc/05/52/88/576055288.db2.gz YPMVRFMZFLSDRC-JTQLQIEISA-N -1 1 293.714 1.067 20 0 CDADMM Cc1cc(CN(CCC(=O)[O-])C[C@H]2CCCO2)on1 ZINC000738383486 576065810 /nfs/dbraw/zinc/06/58/10/576065810.db2.gz UOZSGZWLXSKYHA-LLVKDONJSA-N -1 1 268.313 1.439 20 0 CDADMM c1ccc2c(c1)N(c1nccnc1-c1nnn[n-]1)CC21CC1 ZINC000738442856 576075172 /nfs/dbraw/zinc/07/51/72/576075172.db2.gz QYURAWDMCIQOKC-UHFFFAOYSA-N -1 1 291.318 1.840 20 0 CDADMM c1ccc2c(c1)N(c1nccnc1-c1nn[n-]n1)CC21CC1 ZINC000738442856 576075174 /nfs/dbraw/zinc/07/51/74/576075174.db2.gz QYURAWDMCIQOKC-UHFFFAOYSA-N -1 1 291.318 1.840 20 0 CDADMM COc1cccc(OC)c1CC(=O)[N-]OCC(F)(F)F ZINC000766763923 576133047 /nfs/dbraw/zinc/13/30/47/576133047.db2.gz FRUOTBXEURCZOD-UHFFFAOYSA-N -1 1 293.241 1.856 20 0 CDADMM CCc1cc(=O)[n-]c(SC[C@@H]2CC(C(=O)OC)=NO2)n1 ZINC000767063100 576157012 /nfs/dbraw/zinc/15/70/12/576157012.db2.gz NNJKZYPFHHFEIZ-QMMMGPOBSA-N -1 1 297.336 1.155 20 0 CDADMM O=C([O-])[C@H]1CCN(Cn2ccc(-c3cccs3)n2)C1 ZINC000739599090 576264370 /nfs/dbraw/zinc/26/43/70/576264370.db2.gz QSYAWISMSCORQD-JTQLQIEISA-N -1 1 277.349 1.976 20 0 CDADMM Cc1cnc(CNC(=O)c2ccc([O-])c(F)c2)o1 ZINC000768206185 576264433 /nfs/dbraw/zinc/26/44/33/576264433.db2.gz HZMLYACZEXKLNS-UHFFFAOYSA-N -1 1 250.229 1.758 20 0 CDADMM C[C@@H](O)[C@@H]1CCCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000768388935 576279266 /nfs/dbraw/zinc/27/92/66/576279266.db2.gz MILNDBQQFZYAPR-SKDRFNHKSA-N -1 1 267.300 1.907 20 0 CDADMM O=C([O-])NCCCC(=O)Nc1ccn(-c2ccncc2)n1 ZINC000739967361 576405143 /nfs/dbraw/zinc/40/51/43/576405143.db2.gz WGLHPOKUELBXOZ-UHFFFAOYSA-N -1 1 289.295 1.254 20 0 CDADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc[nH]2)o1 ZINC000760409885 576483478 /nfs/dbraw/zinc/48/34/78/576483478.db2.gz AIMSXUWZYILPKZ-MRVPVSSYSA-N -1 1 297.336 1.007 20 0 CDADMM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)[N-]OCC(F)F ZINC000760459690 576485952 /nfs/dbraw/zinc/48/59/52/576485952.db2.gz SKVNQXPJCXRZIY-LURJTMIESA-N -1 1 261.272 1.833 20 0 CDADMM CC(C)c1ccsc1C(=O)NN1CC(=O)[N-]C1=O ZINC000743286748 576631103 /nfs/dbraw/zinc/63/11/03/576631103.db2.gz GZOZFCHIPURAHZ-UHFFFAOYSA-N -1 1 267.310 1.068 20 0 CDADMM O=C([N-]c1nnc(-c2ccccn2)s1)c1ncccn1 ZINC000743316777 576632619 /nfs/dbraw/zinc/63/26/19/576632619.db2.gz ZKTNSOCPZFMECY-UHFFFAOYSA-N -1 1 284.304 1.642 20 0 CDADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cnccn2)c1 ZINC000744476546 576682701 /nfs/dbraw/zinc/68/27/01/576682701.db2.gz NSLHLYYMCOAGPT-UHFFFAOYSA-N -1 1 286.287 1.784 20 0 CDADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2COCCO2)c1 ZINC000744719102 576693343 /nfs/dbraw/zinc/69/33/43/576693343.db2.gz QAIJSLVGJOHSEJ-AWEZNQCLSA-N -1 1 294.303 1.096 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCCO[C@@H](C)C1 ZINC000747382089 576867909 /nfs/dbraw/zinc/86/79/09/576867909.db2.gz 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ZINC000826353058 607736727 /nfs/dbraw/zinc/73/67/27/607736727.db2.gz ZIYZXKJYTMZOMX-ZCFIWIBFSA-N -1 1 266.692 1.116 20 0 CDADMM Clc1ccc(N[C@@H]2CCOC2)nc1-c1nn[n-]n1 ZINC000826353058 607736728 /nfs/dbraw/zinc/73/67/28/607736728.db2.gz ZIYZXKJYTMZOMX-ZCFIWIBFSA-N -1 1 266.692 1.116 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CN2CC[C@H](C)[C@H](F)C2)O1 ZINC000833584820 605391462 /nfs/dbraw/zinc/39/14/62/605391462.db2.gz RMAKRSXLWKGLAJ-MKPLZMMCSA-N -1 1 257.305 1.814 20 0 CDADMM OCC1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000095235050 606141826 /nfs/dbraw/zinc/14/18/26/606141826.db2.gz VWLIKBDCHOPGBK-UHFFFAOYSA-N -1 1 280.719 1.100 20 0 CDADMM OCC1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000095235050 606141827 /nfs/dbraw/zinc/14/18/27/606141827.db2.gz VWLIKBDCHOPGBK-UHFFFAOYSA-N -1 1 280.719 1.100 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1CCC1 ZINC000823289882 606195900 /nfs/dbraw/zinc/19/59/00/606195900.db2.gz PXRHAJSPWQKGCE-UHFFFAOYSA-N -1 1 259.269 1.311 20 0 CDADMM O=C(OCC[C@@H]1CCCO1)c1sccc1-c1nn[n-]n1 ZINC000823401210 606437815 /nfs/dbraw/zinc/43/78/15/606437815.db2.gz RTTPISPNJGDOTR-QMMMGPOBSA-N -1 1 294.336 1.654 20 0 CDADMM Cn1ccsc1=NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822699190 606492470 /nfs/dbraw/zinc/49/24/70/606492470.db2.gz RJPOGEFNHMNHGF-UHFFFAOYSA-N -1 1 292.349 1.069 20 0 CDADMM Cn1ccsc1=NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822699190 606492471 /nfs/dbraw/zinc/49/24/71/606492471.db2.gz RJPOGEFNHMNHGF-UHFFFAOYSA-N -1 1 292.349 1.069 20 0 CDADMM CC[C@@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820876934 606506553 /nfs/dbraw/zinc/50/65/53/606506553.db2.gz WVGSKRXPJMCLDF-SSDOTTSWSA-N -1 1 265.342 1.799 20 0 CDADMM CC[C@@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820876934 606506555 /nfs/dbraw/zinc/50/65/55/606506555.db2.gz WVGSKRXPJMCLDF-SSDOTTSWSA-N -1 1 265.342 1.799 20 0 CDADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccn1 ZINC000821573237 606512940 /nfs/dbraw/zinc/51/29/40/606512940.db2.gz HADMDBLSNVUCTR-UHFFFAOYSA-N -1 1 286.320 1.600 20 0 CDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccn1 ZINC000821573237 606512941 /nfs/dbraw/zinc/51/29/41/606512941.db2.gz HADMDBLSNVUCTR-UHFFFAOYSA-N -1 1 286.320 1.600 20 0 CDADMM O=C(NCC[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)s1 ZINC000823187196 606524370 /nfs/dbraw/zinc/52/43/70/606524370.db2.gz FOWSWZVEQBCIKO-QMMMGPOBSA-N -1 1 293.352 1.227 20 0 CDADMM O=C(NCC[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)s1 ZINC000823187196 606524372 /nfs/dbraw/zinc/52/43/72/606524372.db2.gz FOWSWZVEQBCIKO-QMMMGPOBSA-N -1 1 293.352 1.227 20 0 CDADMM CCC/C=C\C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821040385 606648935 /nfs/dbraw/zinc/64/89/35/606648935.db2.gz LAGGWLXCAUMSBP-PLNGDYQASA-N -1 1 273.296 1.661 20 0 CDADMM CCC/C=C\C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821040385 606648936 /nfs/dbraw/zinc/64/89/36/606648936.db2.gz LAGGWLXCAUMSBP-PLNGDYQASA-N -1 1 273.296 1.661 20 0 CDADMM C[C@@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000819884765 606652445 /nfs/dbraw/zinc/65/24/45/606652445.db2.gz ZGCXVFOBYLGOSV-VIFPVBQESA-N -1 1 289.339 1.987 20 0 CDADMM C[C@@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000819884765 606652446 /nfs/dbraw/zinc/65/24/46/606652446.db2.gz ZGCXVFOBYLGOSV-VIFPVBQESA-N -1 1 289.339 1.987 20 0 CDADMM C[C@@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC000819883238 606653164 /nfs/dbraw/zinc/65/31/64/606653164.db2.gz GENPPDFKVQEAEN-MRVPVSSYSA-N -1 1 273.296 1.351 20 0 CDADMM C[C@@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC000819883238 606653165 /nfs/dbraw/zinc/65/31/65/606653165.db2.gz GENPPDFKVQEAEN-MRVPVSSYSA-N -1 1 273.296 1.351 20 0 CDADMM C[C@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC000819883240 606653298 /nfs/dbraw/zinc/65/32/98/606653298.db2.gz GENPPDFKVQEAEN-QMMMGPOBSA-N -1 1 273.296 1.351 20 0 CDADMM C[C@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC000819883240 606653299 /nfs/dbraw/zinc/65/32/99/606653299.db2.gz GENPPDFKVQEAEN-QMMMGPOBSA-N -1 1 273.296 1.351 20 0 CDADMM CC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820987604 606689819 /nfs/dbraw/zinc/68/98/19/606689819.db2.gz ADPGVQZKHUMYJG-VIFPVBQESA-N -1 1 272.312 1.134 20 0 CDADMM CC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820987604 606689820 /nfs/dbraw/zinc/68/98/20/606689820.db2.gz ADPGVQZKHUMYJG-VIFPVBQESA-N -1 1 272.312 1.134 20 0 CDADMM O=C(OC[C@@H]1CCSC1)c1sccc1-c1nn[n-]n1 ZINC000823401352 606802441 /nfs/dbraw/zinc/80/24/41/606802441.db2.gz UIKFWUWZDYENJQ-ZETCQYMHSA-N -1 1 296.377 1.838 20 0 CDADMM CC(C)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820017240 606925758 /nfs/dbraw/zinc/92/57/58/606925758.db2.gz UOQJZJXXNNUIFR-MRVPVSSYSA-N -1 1 261.285 1.463 20 0 CDADMM CC(C)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820017240 606925760 /nfs/dbraw/zinc/92/57/60/606925760.db2.gz UOQJZJXXNNUIFR-MRVPVSSYSA-N -1 1 261.285 1.463 20 0 CDADMM C[C@@H]1OCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)[C@H]1C ZINC000820820344 607029531 /nfs/dbraw/zinc/02/95/31/607029531.db2.gz OAIMTUHMURHPEG-YUMQZZPRSA-N -1 1 294.746 1.529 20 0 CDADMM C[C@@H]1OCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)[C@H]1C ZINC000820820344 607029532 /nfs/dbraw/zinc/02/95/32/607029532.db2.gz OAIMTUHMURHPEG-YUMQZZPRSA-N -1 1 294.746 1.529 20 0 CDADMM CC1(O)CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000820629277 607117300 /nfs/dbraw/zinc/11/73/00/607117300.db2.gz VXZNNHYNFYKHBI-UHFFFAOYSA-N -1 1 294.746 1.266 20 0 CDADMM CC1(O)CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000820629277 607117302 /nfs/dbraw/zinc/11/73/02/607117302.db2.gz VXZNNHYNFYKHBI-UHFFFAOYSA-N -1 1 294.746 1.266 20 0 CDADMM COc1ccc(Cl)cc1Cn1ccnc1-c1nnn[n-]1 ZINC000826208466 608012875 /nfs/dbraw/zinc/01/28/75/608012875.db2.gz LRQAJPIIIPMUDX-UHFFFAOYSA-N -1 1 290.714 1.774 20 0 CDADMM COc1ccc(Cl)cc1Cn1ccnc1-c1nn[n-]n1 ZINC000826208466 608012876 /nfs/dbraw/zinc/01/28/76/608012876.db2.gz LRQAJPIIIPMUDX-UHFFFAOYSA-N -1 1 290.714 1.774 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC(C(F)F)C1 ZINC000826472868 608188012 /nfs/dbraw/zinc/18/80/12/608188012.db2.gz ZSUBSXGCWLXEAS-UHFFFAOYSA-N -1 1 285.279 1.265 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC(C(F)F)C1 ZINC000826472868 608188014 /nfs/dbraw/zinc/18/80/14/608188014.db2.gz ZSUBSXGCWLXEAS-UHFFFAOYSA-N -1 1 285.279 1.265 20 0 CDADMM Fc1cccc(Cn2cnc(-c3nn[n-]n3)n2)c1Cl ZINC000826377354 608218687 /nfs/dbraw/zinc/21/86/87/608218687.db2.gz NYWKAVPMBKROEU-UHFFFAOYSA-N -1 1 279.666 1.299 20 0 CDADMM CCc1nn(C)cc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000825762558 608313892 /nfs/dbraw/zinc/31/38/92/608313892.db2.gz FEMBGPQPZKUQGQ-UHFFFAOYSA-N -1 1 273.300 1.368 20 0 CDADMM CCc1nn(C)cc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000825762558 608313894 /nfs/dbraw/zinc/31/38/94/608313894.db2.gz FEMBGPQPZKUQGQ-UHFFFAOYSA-N -1 1 273.300 1.368 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NCC1CCCCC1 ZINC000826515273 608389404 /nfs/dbraw/zinc/38/94/04/608389404.db2.gz SYKPKYTXVDDEMT-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NCC1CCCCC1 ZINC000826515273 608389407 /nfs/dbraw/zinc/38/94/07/608389407.db2.gz SYKPKYTXVDDEMT-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM c1ccc(CN(c2ccc(-c3nnn[n-]3)nn2)C2CC2)nc1 ZINC000826521280 608392621 /nfs/dbraw/zinc/39/26/21/608392621.db2.gz GXQZYFRRPJHBFT-UHFFFAOYSA-N -1 1 294.322 1.221 20 0 CDADMM c1ccc(CN(c2ccc(-c3nn[n-]n3)nn2)C2CC2)nc1 ZINC000826521280 608392623 /nfs/dbraw/zinc/39/26/23/608392623.db2.gz GXQZYFRRPJHBFT-UHFFFAOYSA-N -1 1 294.322 1.221 20 0 CDADMM CC1(C)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824808783 608417711 /nfs/dbraw/zinc/41/77/11/608417711.db2.gz ZGTHJXZLENKDJD-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CC1(C)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824808783 608417713 /nfs/dbraw/zinc/41/77/13/608417713.db2.gz ZGTHJXZLENKDJD-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CC[C@H]1C[C@@H](C)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC000825181731 608427655 /nfs/dbraw/zinc/42/76/55/608427655.db2.gz FYGBRBDYSISDNX-BDAKNGLRSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@H]1C[C@@H](C)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC000825181731 608427657 /nfs/dbraw/zinc/42/76/57/608427657.db2.gz FYGBRBDYSISDNX-BDAKNGLRSA-N -1 1 259.317 1.282 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NCC1(C2CC2)CC1 ZINC000826515418 608438333 /nfs/dbraw/zinc/43/83/33/608438333.db2.gz YBQSXLAEULTIRY-UHFFFAOYSA-N -1 1 257.301 1.259 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000826513982 608438202 /nfs/dbraw/zinc/43/82/02/608438202.db2.gz CLNIZJAHUJHKAF-AXTRIDKLSA-N -1 1 299.338 1.026 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000826513982 608438203 /nfs/dbraw/zinc/43/82/03/608438203.db2.gz CLNIZJAHUJHKAF-AXTRIDKLSA-N -1 1 299.338 1.026 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NCC1(C2CC2)CC1 ZINC000826515418 608438331 /nfs/dbraw/zinc/43/83/31/608438331.db2.gz YBQSXLAEULTIRY-UHFFFAOYSA-N -1 1 257.301 1.259 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@@H](C)Cn1cccn1 ZINC000826280624 608542923 /nfs/dbraw/zinc/54/29/23/608542923.db2.gz JJROHRHUSJRUQT-JTQLQIEISA-N -1 1 284.327 1.267 20 0 CDADMM Fc1ccc2c(c1)CCN(c1nccnc1-c1nn[n-]n1)C2 ZINC000826375781 608560517 /nfs/dbraw/zinc/56/05/17/608560517.db2.gz BKCZBSZWQQCCJJ-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM Fc1ccc2c(c1)CCN(c1nccnc1-c1nnn[n-]1)C2 ZINC000826375781 608560515 /nfs/dbraw/zinc/56/05/15/608560515.db2.gz BKCZBSZWQQCCJJ-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM Cc1cc(CN(C)Cc2ccc(-c3nn[n-]n3)s2)no1 ZINC000826266093 608562294 /nfs/dbraw/zinc/56/22/94/608562294.db2.gz BKXFXIVLDXPDIG-UHFFFAOYSA-N -1 1 290.352 1.857 20 0 CDADMM C[C@@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000824901228 608802194 /nfs/dbraw/zinc/80/21/94/608802194.db2.gz YCVKSQPNLJDDKR-BDAKNGLRSA-N -1 1 260.301 1.241 20 0 CDADMM C[C@@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000824901228 608802195 /nfs/dbraw/zinc/80/21/95/608802195.db2.gz YCVKSQPNLJDDKR-BDAKNGLRSA-N -1 1 260.301 1.241 20 0 CDADMM C[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C[C@H]1F ZINC000824962360 609319431 /nfs/dbraw/zinc/31/94/31/609319431.db2.gz UBEDRXNGVPMWBA-RKDXNWHRSA-N -1 1 262.292 1.446 20 0 CDADMM C[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C[C@H]1F ZINC000824962360 609319432 /nfs/dbraw/zinc/31/94/32/609319432.db2.gz UBEDRXNGVPMWBA-RKDXNWHRSA-N -1 1 262.292 1.446 20 0 CDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cncc(F)c1 ZINC000824654888 609386814 /nfs/dbraw/zinc/38/68/14/609386814.db2.gz ADMZPVYOYBRLPG-ZETCQYMHSA-N -1 1 286.274 1.364 20 0 CDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cncc(F)c1 ZINC000824654888 609386815 /nfs/dbraw/zinc/38/68/15/609386815.db2.gz ADMZPVYOYBRLPG-ZETCQYMHSA-N -1 1 286.274 1.364 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NCC[C@H]1CCCCO1 ZINC000826515442 609582311 /nfs/dbraw/zinc/58/23/11/609582311.db2.gz YSAHWDRONUVVKF-SECBINFHSA-N -1 1 275.316 1.028 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NCC[C@H]1CCCCO1 ZINC000826515442 609582313 /nfs/dbraw/zinc/58/23/13/609582313.db2.gz YSAHWDRONUVVKF-SECBINFHSA-N -1 1 275.316 1.028 20 0 CDADMM O=C(N[C@@H]1COC[C@H]1C1CC1)c1cnc(C2CC2)[n-]c1=O ZINC000891035478 617354262 /nfs/dbraw/zinc/35/42/62/617354262.db2.gz UMCPGLCEBZSZMU-NWDGAFQWSA-N -1 1 289.335 1.214 20 0 CDADMM CC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000938718721 613895697 /nfs/dbraw/zinc/89/56/97/613895697.db2.gz ULNBRJBQUVLLND-JTQLQIEISA-N -1 1 291.351 1.164 20 0 CDADMM CCC(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC000964851188 614591055 /nfs/dbraw/zinc/59/10/55/614591055.db2.gz VSQSNBABEMFKKD-NSHDSACASA-N -1 1 291.351 1.308 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)C1(F)CC1 ZINC000891612734 617503952 /nfs/dbraw/zinc/50/39/52/617503952.db2.gz AYLDSERORGVNHY-UHFFFAOYSA-N -1 1 251.261 1.502 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@@H]1CCOC1 ZINC000891624911 617511160 /nfs/dbraw/zinc/51/11/60/617511160.db2.gz UKTKNVDIELAMKZ-MRVPVSSYSA-N -1 1 263.297 1.036 20 0 CDADMM CO[C@H]1CC[C@@H]1N(C)C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000889346435 617868450 /nfs/dbraw/zinc/86/84/50/617868450.db2.gz NQAYYIHTQUZKNO-QWRGUYRKSA-N -1 1 293.367 1.863 20 0 CDADMM COCc1nc(NCC[C@H]2CCCCO2)cc(=O)[n-]1 ZINC000893114378 618190265 /nfs/dbraw/zinc/19/02/65/618190265.db2.gz UWSLWHQSVWPIEV-SNVBAGLBSA-N -1 1 267.329 1.700 20 0 CDADMM COCc1nc(NCc2cc(C)ccn2)cc(=O)[n-]1 ZINC000893986068 618238099 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Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@]1(C)CCCOC1 ZINC001606166629 1163794805 /nfs/dbraw/zinc/79/48/05/1163794805.db2.gz FUTBYMGIDVCMAK-CYBMUJFWSA-N -1 1 291.311 1.067 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@]1(C)CC1(F)F ZINC001606167505 1163796130 /nfs/dbraw/zinc/79/61/30/1163796130.db2.gz OFHUPSRXXASVJT-NSHDSACASA-N -1 1 297.265 1.543 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@]1(C)CC1(F)F ZINC001606167505 1163796136 /nfs/dbraw/zinc/79/61/36/1163796136.db2.gz OFHUPSRXXASVJT-NSHDSACASA-N -1 1 297.265 1.543 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@@]1(C)CC1(F)F ZINC001606169258 1163797605 /nfs/dbraw/zinc/79/76/05/1163797605.db2.gz HRYZVGPYORTJIA-LLVKDONJSA-N -1 1 298.249 1.970 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@@]1(C)CC1(F)F ZINC001606169258 1163797609 /nfs/dbraw/zinc/79/76/09/1163797609.db2.gz HRYZVGPYORTJIA-LLVKDONJSA-N -1 1 298.249 1.970 20 0 CDADMM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1CCCCCF ZINC001606373280 1163880905 /nfs/dbraw/zinc/88/09/05/1163880905.db2.gz JYMFRHNLBDNIKI-MNOVXSKESA-N -1 1 275.320 1.464 20 0 CDADMM COCC(COC)N[C@@H](C)c1cncc(C(=O)[O-])c1 ZINC001606804111 1163998108 /nfs/dbraw/zinc/99/81/08/1163998108.db2.gz CBLVZCVYCHONQH-VIFPVBQESA-N -1 1 268.313 1.092 20 0 CDADMM COCCO[C@H]1CCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC001606901324 1164026950 /nfs/dbraw/zinc/02/69/50/1164026950.db2.gz JNCARQKCVSBECQ-ZDUSSCGKSA-N -1 1 297.326 1.761 20 0 CDADMM O=C(Nc1nc(C2CC2)c[nH]1)c1coc(-c2nnn[n-]2)c1 ZINC001606950347 1164036713 /nfs/dbraw/zinc/03/67/13/1164036713.db2.gz UFDSYKXXIGXOHJ-UHFFFAOYSA-N -1 1 285.267 1.313 20 0 CDADMM O=C(Nc1nc(C2CC2)c[nH]1)c1coc(-c2nn[n-]n2)c1 ZINC001606950347 1164036720 /nfs/dbraw/zinc/03/67/20/1164036720.db2.gz UFDSYKXXIGXOHJ-UHFFFAOYSA-N -1 1 285.267 1.313 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCCCCO1 ZINC001607017322 1164061588 /nfs/dbraw/zinc/06/15/88/1164061588.db2.gz PKLNWIZSSOZBMC-UHFFFAOYSA-N -1 1 263.257 1.017 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1cc[nH]n1 ZINC001607031046 1164064497 /nfs/dbraw/zinc/06/44/97/1164064497.db2.gz QXXXTBIMKVDDSH-SNVBAGLBSA-N -1 1 299.294 1.160 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1cc[nH]n1 ZINC001607031046 1164064501 /nfs/dbraw/zinc/06/45/01/1164064501.db2.gz QXXXTBIMKVDDSH-SNVBAGLBSA-N -1 1 299.294 1.160 20 0 CDADMM c1cc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)sn1 ZINC001607119108 1164101115 /nfs/dbraw/zinc/10/11/15/1164101115.db2.gz LNOIXUGBDZKIJE-UHFFFAOYSA-N -1 1 288.340 1.536 20 0 CDADMM c1cc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)sn1 ZINC001607119108 1164101119 /nfs/dbraw/zinc/10/11/19/1164101119.db2.gz LNOIXUGBDZKIJE-UHFFFAOYSA-N -1 1 288.340 1.536 20 0 CDADMM c1ccc([C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001607129704 1164110885 /nfs/dbraw/zinc/11/08/85/1164110885.db2.gz PPJSAUQBRGZQLH-NSHDSACASA-N -1 1 294.322 1.393 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC001607133666 1164112090 /nfs/dbraw/zinc/11/20/90/1164112090.db2.gz LVPMZXOPIBPUAD-GXSJLCMTSA-N -1 1 272.312 1.241 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC001607133666 1164112094 /nfs/dbraw/zinc/11/20/94/1164112094.db2.gz LVPMZXOPIBPUAD-GXSJLCMTSA-N -1 1 272.312 1.241 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@H]2CC23CCOCC3)c1 ZINC001607133226 1164112742 /nfs/dbraw/zinc/11/27/42/1164112742.db2.gz AUCNJQSNLCAOIE-JTQLQIEISA-N -1 1 272.312 1.243 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@H]2CC23CCOCC3)c1 ZINC001607133226 1164112750 /nfs/dbraw/zinc/11/27/50/1164112750.db2.gz AUCNJQSNLCAOIE-JTQLQIEISA-N -1 1 272.312 1.243 20 0 CDADMM c1coc(CCCNc2ncncc2-c2nn[n-]n2)c1 ZINC001607135585 1164115389 /nfs/dbraw/zinc/11/53/89/1164115389.db2.gz LHZGDXZWDGXKLL-UHFFFAOYSA-N -1 1 271.284 1.294 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NC[C@H]1CCC[C@H]1C1CC1 ZINC001607136981 1164116571 /nfs/dbraw/zinc/11/65/71/1164116571.db2.gz XUBYTGQFXVVDMC-MNOVXSKESA-N -1 1 285.355 1.895 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NC[C@H]1CCC[C@H]1C1CC1 ZINC001607136981 1164116573 /nfs/dbraw/zinc/11/65/73/1164116573.db2.gz XUBYTGQFXVVDMC-MNOVXSKESA-N -1 1 285.355 1.895 20 0 CDADMM C[C@@H]1[C@H](O)CCCN1Cc1ccc(C(=O)[O-])cc1F ZINC001607448146 1164185142 /nfs/dbraw/zinc/18/51/42/1164185142.db2.gz MKTQPNMERLQIIJ-NOZJJQNGSA-N -1 1 267.300 1.869 20 0 CDADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN(C)Cc1cnc[nH]1 ZINC001607496218 1164206829 /nfs/dbraw/zinc/20/68/29/1164206829.db2.gz WHAOEMSIAHYWJR-UHFFFAOYSA-N -1 1 276.296 1.059 20 0 CDADMM Cc1cc(Cn2cc(CNC(C)C)nn2)oc1C(=O)[O-] ZINC001607658160 1164261807 /nfs/dbraw/zinc/26/18/07/1164261807.db2.gz QGFJLUXACLQDJC-UHFFFAOYSA-N -1 1 278.312 1.424 20 0 CDADMM Cc1cc(N)nc(N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)n1 ZINC001607669401 1164264466 /nfs/dbraw/zinc/26/44/66/1164264466.db2.gz LRRVBTZVDLCJGZ-RNCFNFMXSA-N -1 1 262.313 1.201 20 0 CDADMM Cc1ccnc(N)c1CNCc1ccccc1CC(=O)[O-] ZINC001607895304 1164325416 /nfs/dbraw/zinc/32/54/16/1164325416.db2.gz PIXRLUDYYFKSMK-UHFFFAOYSA-N -1 1 285.347 1.889 20 0 CDADMM Cn1cc(NC(=O)[C@@](C)(N)c2ccccc2)cc1C(=O)[O-] ZINC001608116417 1164414097 /nfs/dbraw/zinc/41/40/97/1164414097.db2.gz RRZHEYFBRZWTEV-HNNXBMFYSA-N -1 1 287.319 1.536 20 0 CDADMM O=C([O-])c1cc(CNCCC(=O)NC2CCCCC2)on1 ZINC001608311275 1164489200 /nfs/dbraw/zinc/48/92/00/1164489200.db2.gz FULLBFRJPQTEJM-UHFFFAOYSA-N -1 1 295.339 1.301 20 0 CDADMM O=C([O-])[C@@H]1[C@@H](O)CCCN1CCOc1ccc(Cl)cc1 ZINC001608594957 1164563143 /nfs/dbraw/zinc/56/31/43/1164563143.db2.gz KJGUOFCWAREXBX-STQMWFEESA-N -1 1 299.754 1.629 20 0 CDADMM O=C([O-])CNC(=O)CCN1CC[C@H]1c1ccc(F)cc1 ZINC001608751900 1164629110 /nfs/dbraw/zinc/62/91/10/1164629110.db2.gz DEEXQYMPRVGRKZ-LBPRGKRZSA-N -1 1 280.299 1.163 20 0 CDADMM CC(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC001609065185 1164753582 /nfs/dbraw/zinc/75/35/82/1164753582.db2.gz UUUUIBWGJHDJBK-UHFFFAOYSA-N -1 1 298.306 1.424 20 0 CDADMM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001609089633 1164764603 /nfs/dbraw/zinc/76/46/03/1164764603.db2.gz FOZLYQVRARFPJN-SMDDNHRTSA-N -1 1 286.339 1.426 20 0 CDADMM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001609089633 1164764608 /nfs/dbraw/zinc/76/46/08/1164764608.db2.gz FOZLYQVRARFPJN-SMDDNHRTSA-N -1 1 286.339 1.426 20 0 CDADMM C[C@@]1(CNc2cc(-c3nnn[n-]3)ncn2)CCCS1 ZINC001609149321 1164796063 /nfs/dbraw/zinc/79/60/63/1164796063.db2.gz JDZNGIFKBZAVJG-NSHDSACASA-N -1 1 277.357 1.354 20 0 CDADMM C[C@@]1(CNc2cc(-c3nn[n-]n3)ncn2)CCCS1 ZINC001609149321 1164796071 /nfs/dbraw/zinc/79/60/71/1164796071.db2.gz JDZNGIFKBZAVJG-NSHDSACASA-N -1 1 277.357 1.354 20 0 CDADMM C[C@@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001609164624 1164811174 /nfs/dbraw/zinc/81/11/74/1164811174.db2.gz UQHLVPKNMVOMAJ-RKDXNWHRSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001609164624 1164811180 /nfs/dbraw/zinc/81/11/80/1164811180.db2.gz UQHLVPKNMVOMAJ-RKDXNWHRSA-N -1 1 259.317 1.505 20 0 CDADMM CC[C@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001609199939 1164838525 /nfs/dbraw/zinc/83/85/25/1164838525.db2.gz JJPQMXCVUGYCOM-VHSXEESVSA-N -1 1 273.344 1.895 20 0 CDADMM CC[C@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001609199939 1164838529 /nfs/dbraw/zinc/83/85/29/1164838529.db2.gz JJPQMXCVUGYCOM-VHSXEESVSA-N -1 1 273.344 1.895 20 0 CDADMM CO[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001609310763 1164889596 /nfs/dbraw/zinc/88/95/96/1164889596.db2.gz MPYBEIHVRWJWEG-VIFPVBQESA-N -1 1 277.332 1.130 20 0 CDADMM CO[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC001609310763 1164889601 /nfs/dbraw/zinc/88/96/01/1164889601.db2.gz MPYBEIHVRWJWEG-VIFPVBQESA-N -1 1 277.332 1.130 20 0 CDADMM C[Si](C)(C)COc1ccc(F)nc1-c1nnn[n-]1 ZINC001609376822 1164916215 /nfs/dbraw/zinc/91/62/15/1164916215.db2.gz LWODVHVBPAQSPW-UHFFFAOYSA-N -1 1 267.340 1.657 20 0 CDADMM C[Si](C)(C)COc1ccc(F)nc1-c1nn[n-]n1 ZINC001609376822 1164916224 /nfs/dbraw/zinc/91/62/24/1164916224.db2.gz LWODVHVBPAQSPW-UHFFFAOYSA-N -1 1 267.340 1.657 20 0 CDADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2cnoc2C2CC2)c1 ZINC001609386778 1164920894 /nfs/dbraw/zinc/92/08/94/1164920894.db2.gz VRTPHOBFBKSJMK-UHFFFAOYSA-N -1 1 298.306 1.251 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H]2C(C)C)n1 ZINC001609391547 1164923770 /nfs/dbraw/zinc/92/37/70/1164923770.db2.gz MXQWMNGGJWNDTM-NSHDSACASA-N -1 1 273.344 1.590 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H]2C(C)C)n1 ZINC001609391547 1164923777 /nfs/dbraw/zinc/92/37/77/1164923777.db2.gz MXQWMNGGJWNDTM-NSHDSACASA-N -1 1 273.344 1.590 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC3(C2)CC(F)(F)C3)n1 ZINC001609391740 1164924369 /nfs/dbraw/zinc/92/43/69/1164924369.db2.gz TXRCUOVLZPJYOF-UHFFFAOYSA-N -1 1 293.281 1.201 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC3(C2)CC(F)(F)C3)n1 ZINC001609391740 1164924374 /nfs/dbraw/zinc/92/43/74/1164924374.db2.gz TXRCUOVLZPJYOF-UHFFFAOYSA-N -1 1 293.281 1.201 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2C[C@H](C)O[C@@H]2C)n1 ZINC001609392104 1164926454 /nfs/dbraw/zinc/92/64/54/1164926454.db2.gz GZVKDAVRVKCZTL-AEJSXWLSSA-N -1 1 289.343 1.191 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2C[C@H](C)O[C@@H]2C)n1 ZINC001609392104 1164926461 /nfs/dbraw/zinc/92/64/61/1164926461.db2.gz GZVKDAVRVKCZTL-AEJSXWLSSA-N -1 1 289.343 1.191 20 0 CDADMM Cc1ccc(N2CCSC[C@H]2C)nc1-c1nnn[n-]1 ZINC001609425177 1164940128 /nfs/dbraw/zinc/94/01/28/1164940128.db2.gz CPPGSCXUJBEULM-SECBINFHSA-N -1 1 276.369 1.512 20 0 CDADMM Cc1ccc(N2CCSC[C@H]2C)nc1-c1nn[n-]n1 ZINC001609425177 1164940132 /nfs/dbraw/zinc/94/01/32/1164940132.db2.gz CPPGSCXUJBEULM-SECBINFHSA-N -1 1 276.369 1.512 20 0 CDADMM Cc1ccc(CNc2nc(-c3nn[n-]n3)ccc2C)cn1 ZINC001609424407 1164940234 /nfs/dbraw/zinc/94/02/34/1164940234.db2.gz IPHNBBSJSFOGGG-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1ccc(Oc2nc(C)cc(-c3nnn[n-]3)n2)cn1 ZINC001609427849 1164942616 /nfs/dbraw/zinc/94/26/16/1164942616.db2.gz MYEPKLAWAAXIHS-UHFFFAOYSA-N -1 1 269.268 1.461 20 0 CDADMM Cc1ccc(Oc2nc(C)cc(-c3nn[n-]n3)n2)cn1 ZINC001609427849 1164942620 /nfs/dbraw/zinc/94/26/20/1164942620.db2.gz MYEPKLAWAAXIHS-UHFFFAOYSA-N -1 1 269.268 1.461 20 0 CDADMM Cc1noc(C)c1N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001609463053 1164962452 /nfs/dbraw/zinc/96/24/52/1164962452.db2.gz KYIVZGJXWXGRMS-UHFFFAOYSA-N -1 1 299.294 1.143 20 0 CDADMM Cc1noc(C)c1N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001609463053 1164962458 /nfs/dbraw/zinc/96/24/58/1164962458.db2.gz KYIVZGJXWXGRMS-UHFFFAOYSA-N -1 1 299.294 1.143 20 0 CDADMM Fc1cc(Cl)cc(CNc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001609489657 1164974514 /nfs/dbraw/zinc/97/45/14/1164974514.db2.gz WFVUZTVMIXXHCN-UHFFFAOYSA-N -1 1 293.693 1.994 20 0 CDADMM Fc1cc(Cl)cc(CNc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001609489657 1164974518 /nfs/dbraw/zinc/97/45/18/1164974518.db2.gz WFVUZTVMIXXHCN-UHFFFAOYSA-N -1 1 293.693 1.994 20 0 CDADMM Fc1ccc(OC[C@H]2CCCCO2)c(-c2nn[n-]n2)n1 ZINC001609491167 1164975296 /nfs/dbraw/zinc/97/52/96/1164975296.db2.gz JSOYPSAUWOCHPX-MRVPVSSYSA-N -1 1 279.275 1.349 20 0 CDADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCC(F)(F)C1 ZINC001609582784 1164997126 /nfs/dbraw/zinc/99/71/26/1164997126.db2.gz HFIYBSFUTPJMTB-UHFFFAOYSA-N -1 1 297.240 1.487 20 0 CDADMM c1cc(N2CC(C3CCCCC3)C2)nnc1-c1nnn[n-]1 ZINC001609614186 1165009767 /nfs/dbraw/zinc/00/97/67/1165009767.db2.gz BIMBQGPGRPOIRV-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM c1cc(N2CC(C3CCCCC3)C2)nnc1-c1nn[n-]n1 ZINC001609614186 1165009772 /nfs/dbraw/zinc/00/97/72/1165009772.db2.gz BIMBQGPGRPOIRV-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM c1cc(NCC2CCCCC2)cc(-c2nnn[n-]2)n1 ZINC001609614846 1165012690 /nfs/dbraw/zinc/01/26/90/1165012690.db2.gz RCKKIWMDSWADOI-UHFFFAOYSA-N -1 1 258.329 1.676 20 0 CDADMM c1cc(NCC2CCCCC2)cc(-c2nn[n-]n2)n1 ZINC001609614846 1165012693 /nfs/dbraw/zinc/01/26/93/1165012693.db2.gz RCKKIWMDSWADOI-UHFFFAOYSA-N -1 1 258.329 1.676 20 0 CDADMM c1ncc(N2CCC[C@@H]3CCC[C@H]32)nc1-c1nnn[n-]1 ZINC001609620895 1165018670 /nfs/dbraw/zinc/01/86/70/1165018670.db2.gz IPWGVXCDKXUMBU-GXSJLCMTSA-N -1 1 271.328 1.426 20 0 CDADMM c1ncc(N2CCC[C@@H]3CCC[C@H]32)nc1-c1nn[n-]n1 ZINC001609620895 1165018673 /nfs/dbraw/zinc/01/86/73/1165018673.db2.gz IPWGVXCDKXUMBU-GXSJLCMTSA-N -1 1 271.328 1.426 20 0 CDADMM Cc1c(C(=O)N(C)C(C)(C)CC(=O)[O-])ccc2cncn21 ZINC001610407467 1165309711 /nfs/dbraw/zinc/30/97/11/1165309711.db2.gz ZOTDOLDOUDLZFM-UHFFFAOYSA-N -1 1 289.335 1.968 20 0 CDADMM Nc1ccncc1C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001610648090 1165394988 /nfs/dbraw/zinc/39/49/88/1165394988.db2.gz FRRNFBXFVQISMR-UHFFFAOYSA-N -1 1 277.324 1.259 20 0 CDADMM O=C([O-])c1cc(CN2CCc3cn[nH]c3C2)cs1 ZINC001610811271 1165450760 /nfs/dbraw/zinc/45/07/60/1165450760.db2.gz REHCKHPIOBWPSD-UHFFFAOYSA-N -1 1 263.322 1.728 20 0 CDADMM CCC(CC)(NC(=O)c1ccc2nccn2c1)c1nn[n-]n1 ZINC001623440440 1165771666 /nfs/dbraw/zinc/77/16/66/1165771666.db2.gz ABWDOVVCFTYGOZ-UHFFFAOYSA-N -1 1 299.338 1.293 20 0 CDADMM Cc1ccc(-c2cc(C(=O)N(C)c3nn[n-]n3)n[nH]2)cc1 ZINC001630603647 1166216183 /nfs/dbraw/zinc/21/61/83/1166216183.db2.gz FPHCNTDHUHNLJX-UHFFFAOYSA-N -1 1 283.295 1.175 20 0 CDADMM CN(C(=O)c1ncc(Cc2ccccc2)o1)c1nn[n-]n1 ZINC001630603993 1166216430 /nfs/dbraw/zinc/21/64/30/1166216430.db2.gz UOFHKKISOYTQDO-UHFFFAOYSA-N -1 1 284.279 1.055 20 0 CDADMM CSc1ccncc1NC(=O)c1n[nH]c(C)c1[O-] ZINC001630578822 1166216739 /nfs/dbraw/zinc/21/67/39/1166216739.db2.gz UOQJLOKOBLPPHE-UHFFFAOYSA-N -1 1 264.310 1.793 20 0 CDADMM O=C(c1ccc(F)c([O-])c1)N1CCc2ncncc2C1 ZINC001412506540 1166734670 /nfs/dbraw/zinc/73/46/70/1166734670.db2.gz NVBJQBPVLFJGLO-UHFFFAOYSA-N -1 1 273.267 1.520 20 0 CDADMM CCO[C@@H]1C[C@@H]1C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001645529453 1167411915 /nfs/dbraw/zinc/41/19/15/1167411915.db2.gz RNDZDRVZXQCVRC-GXFFZTMASA-N -1 1 280.276 1.249 20 0 CDADMM Cc1nocc1C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001454255712 1167734074 /nfs/dbraw/zinc/73/40/74/1167734074.db2.gz PXBQVFMZKMUOCY-NSHDSACASA-N -1 1 284.279 1.016 20 0 CDADMM O=C(Cn1ccc2ccccc21)NCc1nc([O-])cc(=O)[nH]1 ZINC001647868367 1169069453 /nfs/dbraw/zinc/06/94/53/1169069453.db2.gz OUEYURXDUUFGLP-UHFFFAOYSA-N -1 1 298.302 1.159 20 0 CDADMM COC[C@@]1(C(=O)[O-])CCCN(Cc2nc(C)c(C)[nH]2)C1 ZINC001650012788 1169605992 /nfs/dbraw/zinc/60/59/92/1169605992.db2.gz ASISHWQXYUIRMS-CQSZACIVSA-N -1 1 281.356 1.340 20 0 CDADMM CN(C)C1(C(=O)Nc2nc(C(=O)[O-])cs2)CCCC1 ZINC001573859159 1170809722 /nfs/dbraw/zinc/80/97/22/1170809722.db2.gz UAWWBTNWDRVPIN-UHFFFAOYSA-N -1 1 283.353 1.654 20 0 CDADMM Cc1[nH]nc(CNC(=O)c2ncsc2NC(=O)[O-])c1C ZINC001574178424 1170906804 /nfs/dbraw/zinc/90/68/04/1170906804.db2.gz FZYRJIUSHKKYNM-UHFFFAOYSA-N -1 1 295.324 1.503 20 0 CDADMM O=C([O-])c1cc(CNC(=O)c2cc(F)cc(F)c2O)on1 ZINC001574407860 1170975401 /nfs/dbraw/zinc/97/54/01/1170975401.db2.gz DJTHYPLOSOLXES-UHFFFAOYSA-N -1 1 298.201 1.287 20 0 CDADMM CCc1coc(NC(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001578558843 1171949653 /nfs/dbraw/zinc/94/96/53/1171949653.db2.gz COEGDTKTNSLJNB-UHFFFAOYSA-N -1 1 274.240 1.262 20 0 CDADMM COc1ccc(C)cc1CNc1ncncc1-c1nn[n-]n1 ZINC001579990979 1172316707 /nfs/dbraw/zinc/31/67/07/1172316707.db2.gz LXNGBLDPXWYEEB-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM Cc1cccc(OCCNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001581246916 1172600485 /nfs/dbraw/zinc/60/04/85/1172600485.db2.gz OXWFKEYJUGVMQZ-UHFFFAOYSA-N -1 1 297.322 1.456 20 0 CDADMM Cc1cccc(OCCNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001581246916 1172600490 /nfs/dbraw/zinc/60/04/90/1172600490.db2.gz OXWFKEYJUGVMQZ-UHFFFAOYSA-N -1 1 297.322 1.456 20 0 CDADMM Fc1ccc(F)c(Oc2cncc(-c3nnn[n-]3)n2)c1 ZINC001581854082 1172624861 /nfs/dbraw/zinc/62/48/61/1172624861.db2.gz IDVDFNLCMLZDIO-UHFFFAOYSA-N -1 1 276.206 1.727 20 0 CDADMM Fc1ccc(F)c(Oc2cncc(-c3nn[n-]n3)n2)c1 ZINC001581854082 1172624863 /nfs/dbraw/zinc/62/48/63/1172624863.db2.gz IDVDFNLCMLZDIO-UHFFFAOYSA-N -1 1 276.206 1.727 20 0 CDADMM O=C(c1ccco1)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001582717503 1172688896 /nfs/dbraw/zinc/68/88/96/1172688896.db2.gz CRCHZEIGMWGPRM-UHFFFAOYSA-N -1 1 296.290 1.448 20 0 CDADMM O=C(c1ccco1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001582717503 1172688903 /nfs/dbraw/zinc/68/89/03/1172688903.db2.gz CRCHZEIGMWGPRM-UHFFFAOYSA-N -1 1 296.290 1.448 20 0 CDADMM CN(C(=O)c1nc2ccccc2nc1C1CC1)c1nn[n-]n1 ZINC001587339143 1172981132 /nfs/dbraw/zinc/98/11/32/1172981132.db2.gz AOKYVTILVAEWEU-UHFFFAOYSA-N -1 1 295.306 1.297 20 0 CDADMM CC(=O)Nc1cccc(OC(F)(F)F)c1-c1nn[n-]n1 ZINC001588883746 1173110724 /nfs/dbraw/zinc/11/07/24/1173110724.db2.gz HVPJHJVBADLZEB-UHFFFAOYSA-N -1 1 287.201 1.724 20 0 CDADMM CC(C)(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001589098720 1173125014 /nfs/dbraw/zinc/12/50/14/1173125014.db2.gz DLSKHQKUBVHAFU-UHFFFAOYSA-N -1 1 273.344 1.893 20 0 CDADMM CC(C)(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001589098720 1173125019 /nfs/dbraw/zinc/12/50/19/1173125019.db2.gz DLSKHQKUBVHAFU-UHFFFAOYSA-N -1 1 273.344 1.893 20 0 CDADMM CC(C)=CCCNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589377721 1173142648 /nfs/dbraw/zinc/14/26/48/1173142648.db2.gz UQOZXAOHUPXHNP-UHFFFAOYSA-N -1 1 272.312 1.348 20 0 CDADMM CC(C)=CCCNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589377721 1173142652 /nfs/dbraw/zinc/14/26/52/1173142652.db2.gz UQOZXAOHUPXHNP-UHFFFAOYSA-N -1 1 272.312 1.348 20 0 CDADMM CC(C)[C@H]1C[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001589503326 1173151887 /nfs/dbraw/zinc/15/18/87/1173151887.db2.gz RAMJTEXFUAUQDC-ZJUUUORDSA-N -1 1 287.323 1.803 20 0 CDADMM CC(C)CNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001589634763 1173163210 /nfs/dbraw/zinc/16/32/10/1173163210.db2.gz KNCYLVPVVJHMPC-UHFFFAOYSA-N -1 1 284.323 1.734 20 0 CDADMM CC(C)N(C(=O)c1coc(-c2nnn[n-]2)c1)C1CCC1 ZINC001589673379 1173168983 /nfs/dbraw/zinc/16/89/83/1173168983.db2.gz YKUAUCNATXLWJS-UHFFFAOYSA-N -1 1 275.312 1.863 20 0 CDADMM CC(C)N(C(=O)c1coc(-c2nn[n-]n2)c1)C1CCC1 ZINC001589673379 1173168986 /nfs/dbraw/zinc/16/89/86/1173168986.db2.gz YKUAUCNATXLWJS-UHFFFAOYSA-N -1 1 275.312 1.863 20 0 CDADMM CC(C)OCCCOC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001589747160 1173173236 /nfs/dbraw/zinc/17/32/36/1173173236.db2.gz BARWBKMWZQNWQD-UHFFFAOYSA-N -1 1 296.352 1.900 20 0 CDADMM CC(C)OCCCOC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589747160 1173173239 /nfs/dbraw/zinc/17/32/39/1173173239.db2.gz BARWBKMWZQNWQD-UHFFFAOYSA-N -1 1 296.352 1.900 20 0 CDADMM CC(C)c1ccoc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001589773000 1173177261 /nfs/dbraw/zinc/17/72/61/1173177261.db2.gz DJFFJDUYBBWNAS-UHFFFAOYSA-N -1 1 287.283 1.050 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)[C@@H]1CCCOC1 ZINC001589944889 1173206401 /nfs/dbraw/zinc/20/64/01/1173206401.db2.gz YMBZFYNWBOBCEI-RKDXNWHRSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)[C@@H]1CCCOC1 ZINC001589944889 1173206405 /nfs/dbraw/zinc/20/64/05/1173206405.db2.gz YMBZFYNWBOBCEI-RKDXNWHRSA-N -1 1 291.311 1.005 20 0 CDADMM CC1(C)CC(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590078856 1173247756 /nfs/dbraw/zinc/24/77/56/1173247756.db2.gz ZNRHRBOWPCBGST-UHFFFAOYSA-N -1 1 287.323 1.741 20 0 CDADMM CC1(C)CC(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590078856 1173247760 /nfs/dbraw/zinc/24/77/60/1173247760.db2.gz ZNRHRBOWPCBGST-UHFFFAOYSA-N -1 1 287.323 1.741 20 0 CDADMM CC1(C2(Nc3ccc(-c4nnn[n-]4)nn3)CC2)CC1 ZINC001590121944 1173264677 /nfs/dbraw/zinc/26/46/77/1173264677.db2.gz IZEZNRVCTUMZDS-UHFFFAOYSA-N -1 1 257.301 1.401 20 0 CDADMM CC1(C2(Nc3ccc(-c4nn[n-]n4)nn3)CC2)CC1 ZINC001590121944 1173264683 /nfs/dbraw/zinc/26/46/83/1173264683.db2.gz IZEZNRVCTUMZDS-UHFFFAOYSA-N -1 1 257.301 1.401 20 0 CDADMM C[C@]1(CCNc2cc(-c3nnn[n-]3)ncn2)C[C@@]1(F)Cl ZINC001590127648 1173264693 /nfs/dbraw/zinc/26/46/93/1173264693.db2.gz QKFQSXUQAKSITI-QWRGUYRKSA-N -1 1 297.725 1.773 20 0 CDADMM C[C@]1(CCNc2cc(-c3nn[n-]n3)ncn2)C[C@@]1(F)Cl ZINC001590127648 1173264699 /nfs/dbraw/zinc/26/46/99/1173264699.db2.gz QKFQSXUQAKSITI-QWRGUYRKSA-N -1 1 297.725 1.773 20 0 CDADMM C[C@@]1(F)CCCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590141153 1173268951 /nfs/dbraw/zinc/26/89/51/1173268951.db2.gz BYQAOJOMBZJJEZ-CYBMUJFWSA-N -1 1 290.302 1.226 20 0 CDADMM C[C@@]1(F)CCCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590141153 1173268958 /nfs/dbraw/zinc/26/89/58/1173268958.db2.gz BYQAOJOMBZJJEZ-CYBMUJFWSA-N -1 1 290.302 1.226 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC(C)=C[C@@H](C)C2)n1 ZINC001590156188 1173275903 /nfs/dbraw/zinc/27/59/03/1173275903.db2.gz DVBZGIVKXVLWFJ-MRVPVSSYSA-N -1 1 271.328 1.368 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC(C)=C[C@@H](C)C2)n1 ZINC001590156188 1173275908 /nfs/dbraw/zinc/27/59/08/1173275908.db2.gz DVBZGIVKXVLWFJ-MRVPVSSYSA-N -1 1 271.328 1.368 20 0 CDADMM C[C@H]1C[C@H](COc2cccnc2-c2nnn[n-]2)CCO1 ZINC001590193258 1173288227 /nfs/dbraw/zinc/28/82/27/1173288227.db2.gz OIOCFBCNPROOIR-VHSXEESVSA-N -1 1 275.312 1.456 20 0 CDADMM C[C@H]1C[C@H](COc2cccnc2-c2nn[n-]n2)CCO1 ZINC001590193258 1173288233 /nfs/dbraw/zinc/28/82/33/1173288233.db2.gz OIOCFBCNPROOIR-VHSXEESVSA-N -1 1 275.312 1.456 20 0 CDADMM C[C@H]1C[C@H]1c1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)n[nH]1 ZINC001590223062 1173304449 /nfs/dbraw/zinc/30/44/49/1173304449.db2.gz ZBOVDMSVQPEZNJ-NKWVEPMBSA-N -1 1 299.294 1.559 20 0 CDADMM C[C@@H]1C[C@H]1c1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)n[nH]1 ZINC001590223064 1173306110 /nfs/dbraw/zinc/30/61/10/1173306110.db2.gz ZBOVDMSVQPEZNJ-RNFRBKRXSA-N -1 1 299.294 1.559 20 0 CDADMM C[C@@H]1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001590251655 1173320577 /nfs/dbraw/zinc/32/05/77/1173320577.db2.gz XWBJJXUYYJNURA-RKDXNWHRSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@@H]1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001590251655 1173320581 /nfs/dbraw/zinc/32/05/81/1173320581.db2.gz XWBJJXUYYJNURA-RKDXNWHRSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@H]1CCN(c2cccnc2-c2nnn[n-]2)C[C@H]1C ZINC001590273808 1173336224 /nfs/dbraw/zinc/33/62/24/1173336224.db2.gz ADWDSLXGRCLLCO-VHSXEESVSA-N -1 1 258.329 1.744 20 0 CDADMM C[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC[C@H]1O ZINC001590314135 1173350177 /nfs/dbraw/zinc/35/01/77/1173350177.db2.gz ZMIQJADHSQEKAS-IONNQARKSA-N -1 1 294.746 1.122 20 0 CDADMM C[C@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC[C@H]1O ZINC001590314135 1173350185 /nfs/dbraw/zinc/35/01/85/1173350185.db2.gz ZMIQJADHSQEKAS-IONNQARKSA-N -1 1 294.746 1.122 20 0 CDADMM C[C@H]1OCC[C@@H]1COc1ccc(F)nc1-c1nnn[n-]1 ZINC001590334979 1173362905 /nfs/dbraw/zinc/36/29/05/1173362905.db2.gz AVUXCDYXGLMQPN-HTQZYQBOSA-N -1 1 279.275 1.205 20 0 CDADMM C[C@H]1OCC[C@@H]1COc1ccc(F)nc1-c1nn[n-]n1 ZINC001590334979 1173362912 /nfs/dbraw/zinc/36/29/12/1173362912.db2.gz AVUXCDYXGLMQPN-HTQZYQBOSA-N -1 1 279.275 1.205 20 0 CDADMM C[C@@H]1c2ccsc2CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001590337926 1173363786 /nfs/dbraw/zinc/36/37/86/1173363786.db2.gz LIRLWIZWLHHPPF-MRVPVSSYSA-N -1 1 299.363 1.842 20 0 CDADMM C[C@H]1c2ccsc2CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001590339646 1173364078 /nfs/dbraw/zinc/36/40/78/1173364078.db2.gz XYULNYNEKBQNPX-QMMMGPOBSA-N -1 1 299.363 1.842 20 0 CDADMM C[C@H]1c2ccsc2CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001590339646 1173364085 /nfs/dbraw/zinc/36/40/85/1173364085.db2.gz XYULNYNEKBQNPX-QMMMGPOBSA-N -1 1 299.363 1.842 20 0 CDADMM CCC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590364598 1173373069 /nfs/dbraw/zinc/37/30/69/1173373069.db2.gz ACRUIPVTSZIJNU-UHFFFAOYSA-N -1 1 258.694 1.325 20 0 CDADMM C/C=C/C[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590356073 1173374353 /nfs/dbraw/zinc/37/43/53/1173374353.db2.gz XEZFWXWXQKSKDP-VUDBWIFFSA-N -1 1 285.355 1.839 20 0 CDADMM C/C=C/C[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590356073 1173374358 /nfs/dbraw/zinc/37/43/58/1173374358.db2.gz XEZFWXWXQKSKDP-VUDBWIFFSA-N -1 1 285.355 1.839 20 0 CDADMM CC[C@@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)[C@H](C)O ZINC001590471445 1173422363 /nfs/dbraw/zinc/42/23/63/1173422363.db2.gz FUJQCIHBYQVONS-IONNQARKSA-N -1 1 289.343 1.105 20 0 CDADMM CC[C@@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)[C@H](C)O ZINC001590471445 1173422372 /nfs/dbraw/zinc/42/23/72/1173422372.db2.gz FUJQCIHBYQVONS-IONNQARKSA-N -1 1 289.343 1.105 20 0 CDADMM CC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001590472197 1173425115 /nfs/dbraw/zinc/42/51/15/1173425115.db2.gz BTKSFPHATZANMT-JTQLQIEISA-N -1 1 282.311 1.615 20 0 CDADMM CC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001590472197 1173425118 /nfs/dbraw/zinc/42/51/18/1173425118.db2.gz BTKSFPHATZANMT-JTQLQIEISA-N -1 1 282.311 1.615 20 0 CDADMM CC[C@@]1(C)CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590489255 1173431519 /nfs/dbraw/zinc/43/15/19/1173431519.db2.gz DKTYZOCBJZSHRV-AWEZNQCLSA-N -1 1 286.339 1.524 20 0 CDADMM CC[C@@]1(C)CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590489255 1173431524 /nfs/dbraw/zinc/43/15/24/1173431524.db2.gz DKTYZOCBJZSHRV-AWEZNQCLSA-N -1 1 286.339 1.524 20 0 CDADMM CC[C@@H]1C[C@H](Nc2cc(C)cc(-c3nnn[n-]3)n2)CCO1 ZINC001590504820 1173440009 /nfs/dbraw/zinc/44/00/09/1173440009.db2.gz MJLKNDKRBBGQQI-GHMZBOCLSA-N -1 1 288.355 1.940 20 0 CDADMM CC[C@@H]1C[C@H](Nc2cc(C)cc(-c3nn[n-]n3)n2)CCO1 ZINC001590504820 1173440015 /nfs/dbraw/zinc/44/00/15/1173440015.db2.gz MJLKNDKRBBGQQI-GHMZBOCLSA-N -1 1 288.355 1.940 20 0 CDADMM CCCCC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590588730 1173469411 /nfs/dbraw/zinc/46/94/11/1173469411.db2.gz MBUMQNVELYOOAW-SECBINFHSA-N -1 1 261.333 1.459 20 0 CDADMM CCCN(C)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590620296 1173477590 /nfs/dbraw/zinc/47/75/90/1173477590.db2.gz XUYQFJQDKZGKFM-UHFFFAOYSA-N -1 1 259.317 1.380 20 0 CDADMM CCCN(C)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590620296 1173477596 /nfs/dbraw/zinc/47/75/96/1173477596.db2.gz XUYQFJQDKZGKFM-UHFFFAOYSA-N -1 1 259.317 1.380 20 0 CDADMM CCN(CCC1CC1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590692034 1173493164 /nfs/dbraw/zinc/49/31/64/1173493164.db2.gz DJNFEKPVYACEQT-UHFFFAOYSA-N -1 1 275.312 1.722 20 0 CDADMM CCN(CCC1CC1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590692034 1173493169 /nfs/dbraw/zinc/49/31/69/1173493169.db2.gz DJNFEKPVYACEQT-UHFFFAOYSA-N -1 1 275.312 1.722 20 0 CDADMM CCOC1CC(N(C)C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590789167 1173509466 /nfs/dbraw/zinc/50/94/66/1173509466.db2.gz ZGWRKVINLNQLEY-UHFFFAOYSA-N -1 1 291.311 1.099 20 0 CDADMM CCOC1CC(N(C)C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590789167 1173509471 /nfs/dbraw/zinc/50/94/71/1173509471.db2.gz ZGWRKVINLNQLEY-UHFFFAOYSA-N -1 1 291.311 1.099 20 0 CDADMM CCOc1ccc(CNc2n[nH]c(C)c2-c2nnn[n-]2)o1 ZINC001590836307 1173523897 /nfs/dbraw/zinc/52/38/97/1173523897.db2.gz UEFSBHOEHZYSFP-UHFFFAOYSA-N -1 1 289.299 1.502 20 0 CDADMM CCOc1ccc(CNc2n[nH]c(C)c2-c2nn[n-]n2)o1 ZINC001590836307 1173523911 /nfs/dbraw/zinc/52/39/11/1173523911.db2.gz UEFSBHOEHZYSFP-UHFFFAOYSA-N -1 1 289.299 1.502 20 0 CDADMM CCSCCCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590852928 1173528297 /nfs/dbraw/zinc/52/82/97/1173528297.db2.gz APSBKMMBFZFHIQ-UHFFFAOYSA-N -1 1 281.341 1.333 20 0 CDADMM CCSCCCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590852928 1173528301 /nfs/dbraw/zinc/52/83/01/1173528301.db2.gz APSBKMMBFZFHIQ-UHFFFAOYSA-N -1 1 281.341 1.333 20 0 CDADMM CC[C@@H]1C[C@H]1CNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001590860718 1173531271 /nfs/dbraw/zinc/53/12/71/1173531271.db2.gz WVDJDOHXLGBYTQ-BDAKNGLRSA-N -1 1 259.317 1.423 20 0 CDADMM CC[C@@H]1C[C@H]1CNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001590860718 1173531279 /nfs/dbraw/zinc/53/12/79/1173531279.db2.gz WVDJDOHXLGBYTQ-BDAKNGLRSA-N -1 1 259.317 1.423 20 0 CDADMM CCc1ccc(CCn2cc(-c3nn[n-]n3)ccc2=O)cc1 ZINC001590887894 1173535298 /nfs/dbraw/zinc/53/52/98/1173535298.db2.gz UDGDJLFUCAFAHN-UHFFFAOYSA-N -1 1 295.346 1.834 20 0 CDADMM CN(Cc1ccco1)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591149677 1173582220 /nfs/dbraw/zinc/58/22/20/1173582220.db2.gz XHNQMJLKTNRYDO-UHFFFAOYSA-N -1 1 297.322 1.764 20 0 CDADMM CN(Cc1ccco1)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591149677 1173582226 /nfs/dbraw/zinc/58/22/26/1173582226.db2.gz XHNQMJLKTNRYDO-UHFFFAOYSA-N -1 1 297.322 1.764 20 0 CDADMM COCC[C@H](C)CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591398993 1173647958 /nfs/dbraw/zinc/64/79/58/1173647958.db2.gz MAEJCSXMRLPFJL-QMMMGPOBSA-N -1 1 295.368 1.331 20 0 CDADMM COCc1ccc(Nc2cc(-c3nnn[n-]3)nc(C)n2)cc1 ZINC001591456982 1173653742 /nfs/dbraw/zinc/65/37/42/1173653742.db2.gz HKERAWVNVNOGOS-UHFFFAOYSA-N -1 1 297.322 1.855 20 0 CDADMM COCc1ccc(Nc2cc(-c3nn[n-]n3)nc(C)n2)cc1 ZINC001591456982 1173653748 /nfs/dbraw/zinc/65/37/48/1173653748.db2.gz HKERAWVNVNOGOS-UHFFFAOYSA-N -1 1 297.322 1.855 20 0 CDADMM COc1ccc(CNc2cccc(-c3nnn[n-]3)n2)nc1 ZINC001591602372 1173673826 /nfs/dbraw/zinc/67/38/26/1173673826.db2.gz ONWLFKLQMWHBHW-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM COc1ccc(CNc2cccc(-c3nn[n-]n3)n2)nc1 ZINC001591602372 1173673834 /nfs/dbraw/zinc/67/38/34/1173673834.db2.gz ONWLFKLQMWHBHW-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM COc1cccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001591645658 1173675683 /nfs/dbraw/zinc/67/56/83/1173675683.db2.gz MXCTZOKRGGRRLH-UHFFFAOYSA-N -1 1 296.290 1.523 20 0 CDADMM COc1cccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001591645658 1173675686 /nfs/dbraw/zinc/67/56/86/1173675686.db2.gz MXCTZOKRGGRRLH-UHFFFAOYSA-N -1 1 296.290 1.523 20 0 CDADMM COc1ccccc1Oc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001591654538 1173676466 /nfs/dbraw/zinc/67/64/66/1173676466.db2.gz RDWGXHZXUQXWNL-UHFFFAOYSA-N -1 1 284.279 1.766 20 0 CDADMM COc1ccccc1Oc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001591654538 1173676469 /nfs/dbraw/zinc/67/64/69/1173676469.db2.gz RDWGXHZXUQXWNL-UHFFFAOYSA-N -1 1 284.279 1.766 20 0 CDADMM CSCc1ccc(Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001591699583 1173687453 /nfs/dbraw/zinc/68/74/53/1173687453.db2.gz FPXATANVHQHOAM-UHFFFAOYSA-N -1 1 299.363 1.685 20 0 CDADMM CSc1ccccc1Cn1cc(-c2nn[n-]n2)ccc1=O ZINC001591716424 1173692341 /nfs/dbraw/zinc/69/23/41/1173692341.db2.gz ZYOBRDCJNNNECN-UHFFFAOYSA-N -1 1 299.359 1.799 20 0 CDADMM C[C@H]1c2ccccc2C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001591776030 1173698449 /nfs/dbraw/zinc/69/84/49/1173698449.db2.gz KRQNZKAEQDMBBR-TVQRCGJNSA-N -1 1 293.334 1.797 20 0 CDADMM C[C@H]1c2ccccc2C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001591776030 1173698453 /nfs/dbraw/zinc/69/84/53/1173698453.db2.gz KRQNZKAEQDMBBR-TVQRCGJNSA-N -1 1 293.334 1.797 20 0 CDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)o1)C1CCC1 ZINC001591771330 1173700464 /nfs/dbraw/zinc/70/04/64/1173700464.db2.gz PRNPDVFSNVNFQD-ZETCQYMHSA-N -1 1 262.269 1.805 20 0 CDADMM Cc1c[nH]nc1COCc1ccc(-c2nnn[n-]2)o1 ZINC001591834392 1173713008 /nfs/dbraw/zinc/71/30/08/1173713008.db2.gz ZCGNRWJZYRFDNJ-UHFFFAOYSA-N -1 1 260.257 1.208 20 0 CDADMM Cc1c[nH]nc1COCc1ccc(-c2nn[n-]n2)o1 ZINC001591834392 1173713012 /nfs/dbraw/zinc/71/30/12/1173713012.db2.gz ZCGNRWJZYRFDNJ-UHFFFAOYSA-N -1 1 260.257 1.208 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@@H](C(C)C)C2)c1 ZINC001591887607 1173738190 /nfs/dbraw/zinc/73/81/90/1173738190.db2.gz BPRFYVVJLKRMTR-GFCCVEGCSA-N -1 1 288.355 1.431 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@@H](C(C)C)C2)c1 ZINC001591887607 1173738196 /nfs/dbraw/zinc/73/81/96/1173738196.db2.gz BPRFYVVJLKRMTR-GFCCVEGCSA-N -1 1 288.355 1.431 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)C(F)F)n1 ZINC001591890485 1173742312 /nfs/dbraw/zinc/74/23/12/1173742312.db2.gz HXCSEUOEQWMQAW-YFKPBYRVSA-N -1 1 255.232 1.031 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)C(F)F)n1 ZINC001591890485 1173742316 /nfs/dbraw/zinc/74/23/16/1173742316.db2.gz HXCSEUOEQWMQAW-YFKPBYRVSA-N -1 1 255.232 1.031 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCc2cccc(CO)c2)n1 ZINC001591901096 1173744283 /nfs/dbraw/zinc/74/42/83/1173744283.db2.gz ZQJDJSXXNRXPHY-UHFFFAOYSA-N -1 1 297.322 1.070 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCc2cccc(CO)c2)n1 ZINC001591901096 1173744288 /nfs/dbraw/zinc/74/42/88/1173744288.db2.gz ZQJDJSXXNRXPHY-UHFFFAOYSA-N -1 1 297.322 1.070 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(Oc2cncc(F)c2)n1 ZINC001591904033 1173745220 /nfs/dbraw/zinc/74/52/20/1173745220.db2.gz WQNSBMFMOFEONI-UHFFFAOYSA-N -1 1 273.231 1.292 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(Oc2cncc(F)c2)n1 ZINC001591904033 1173745227 /nfs/dbraw/zinc/74/52/27/1173745227.db2.gz WQNSBMFMOFEONI-UHFFFAOYSA-N -1 1 273.231 1.292 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(Sc2ccc(O)cc2)n1 ZINC001591903027 1173745352 /nfs/dbraw/zinc/74/53/52/1173745352.db2.gz FGFVAGYMLSBJJQ-UHFFFAOYSA-N -1 1 286.320 1.822 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(Sc2ccc(O)cc2)n1 ZINC001591903027 1173745356 /nfs/dbraw/zinc/74/53/56/1173745356.db2.gz FGFVAGYMLSBJJQ-UHFFFAOYSA-N -1 1 286.320 1.822 20 0 CDADMM Cc1cc(C)c(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)o1 ZINC001591947221 1173753068 /nfs/dbraw/zinc/75/30/68/1173753068.db2.gz RVTASIJZLXKKEF-UHFFFAOYSA-N -1 1 273.256 1.052 20 0 CDADMM Cc1cc(C)c(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)o1 ZINC001591947221 1173753074 /nfs/dbraw/zinc/75/30/74/1173753074.db2.gz RVTASIJZLXKKEF-UHFFFAOYSA-N -1 1 273.256 1.052 20 0 CDADMM Cc1cc(N2CC[C@H](C(C)(C)O)C2)cc(-c2nnn[n-]2)n1 ZINC001591999435 1173770326 /nfs/dbraw/zinc/77/03/26/1173770326.db2.gz GYYLNVRAWMQHNV-JTQLQIEISA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(N2CC[C@H](C(C)(C)O)C2)cc(-c2nn[n-]n2)n1 ZINC001591999435 1173770333 /nfs/dbraw/zinc/77/03/33/1173770333.db2.gz GYYLNVRAWMQHNV-JTQLQIEISA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(N[C@H]2CCCC(F)(F)C2)cc(-c2nnn[n-]2)n1 ZINC001592036898 1173781288 /nfs/dbraw/zinc/78/12/88/1173781288.db2.gz CWXUTSUXNCJPIG-VIFPVBQESA-N -1 1 294.309 1.982 20 0 CDADMM Cc1cc(N[C@H]2CCCC(F)(F)C2)cc(-c2nn[n-]n2)n1 ZINC001592036898 1173781291 /nfs/dbraw/zinc/78/12/91/1173781291.db2.gz CWXUTSUXNCJPIG-VIFPVBQESA-N -1 1 294.309 1.982 20 0 CDADMM Cc1cc(NC[C@H](C)CCO)cc(-c2nnn[n-]2)n1 ZINC001592038509 1173782011 /nfs/dbraw/zinc/78/20/11/1173782011.db2.gz HUVOTFDJDZYTPH-MRVPVSSYSA-N -1 1 262.317 1.001 20 0 CDADMM Cc1cc(NC[C@H](C)CCO)cc(-c2nn[n-]n2)n1 ZINC001592038509 1173782019 /nfs/dbraw/zinc/78/20/19/1173782019.db2.gz HUVOTFDJDZYTPH-MRVPVSSYSA-N -1 1 262.317 1.001 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC[C@@H](CO)CC1 ZINC001592110890 1173801873 /nfs/dbraw/zinc/80/18/73/1173801873.db2.gz WPSOJXHOEWPNKW-LLVKDONJSA-N -1 1 288.355 1.169 20 0 CDADMM Cc1ccc(CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC001592147042 1173811152 /nfs/dbraw/zinc/81/11/52/1173811152.db2.gz NTLMMVLZHBCPRM-UHFFFAOYSA-N -1 1 297.322 1.090 20 0 CDADMM Cc1ccc(CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC001592147042 1173811163 /nfs/dbraw/zinc/81/11/63/1173811163.db2.gz NTLMMVLZHBCPRM-UHFFFAOYSA-N -1 1 297.322 1.090 20 0 CDADMM Cc1ccc(CCNC(=O)c2ccnc(-c3nnn[n-]3)c2)o1 ZINC001592151911 1173812894 /nfs/dbraw/zinc/81/28/94/1173812894.db2.gz HMONUVCFJRANEO-UHFFFAOYSA-N -1 1 298.306 1.136 20 0 CDADMM Cc1ccc(CCNC(=O)c2ccnc(-c3nn[n-]n3)c2)o1 ZINC001592151911 1173812897 /nfs/dbraw/zinc/81/28/97/1173812897.db2.gz HMONUVCFJRANEO-UHFFFAOYSA-N -1 1 298.306 1.136 20 0 CDADMM Cc1ccc([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001592135501 1173813242 /nfs/dbraw/zinc/81/32/42/1173813242.db2.gz JBMLDMQCTUDGNY-JTQLQIEISA-N -1 1 281.323 1.560 20 0 CDADMM Cc1ccc(CCNc2cnc(-c3nnn[n-]3)cn2)c(C)c1 ZINC001592151391 1173813541 /nfs/dbraw/zinc/81/35/41/1173813541.db2.gz NTYBIOSMVOYOCE-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(CCNc2cnc(-c3nn[n-]n3)cn2)c(C)c1 ZINC001592151391 1173813551 /nfs/dbraw/zinc/81/35/51/1173813551.db2.gz NTYBIOSMVOYOCE-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(NC[C@@H]2CCO[C@@H](C)C2)nc1-c1nnn[n-]1 ZINC001592183577 1173829696 /nfs/dbraw/zinc/82/96/96/1173829696.db2.gz UPJGENFGVJXUFS-WDEREUQCSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(NC[C@@H]2CCO[C@@H](C)C2)nc1-c1nn[n-]n1 ZINC001592183577 1173829700 /nfs/dbraw/zinc/82/97/00/1173829700.db2.gz UPJGENFGVJXUFS-WDEREUQCSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(Nc2cc(-c3nnn[n-]3)ncn2)cc1F ZINC001592185851 1173830963 /nfs/dbraw/zinc/83/09/63/1173830963.db2.gz DORYRQREZNOOOG-UHFFFAOYSA-N -1 1 271.259 1.848 20 0 CDADMM Cc1ccc(Nc2cc(-c3nn[n-]n3)ncn2)cc1F ZINC001592185851 1173830968 /nfs/dbraw/zinc/83/09/68/1173830968.db2.gz DORYRQREZNOOOG-UHFFFAOYSA-N -1 1 271.259 1.848 20 0 CDADMM Cc1cccnc1COc1cccnc1-c1nnn[n-]1 ZINC001592263936 1173839386 /nfs/dbraw/zinc/83/93/86/1173839386.db2.gz KDMPABWAUFPTGK-UHFFFAOYSA-N -1 1 268.280 1.544 20 0 CDADMM Cc1cccnc1COc1cccnc1-c1nn[n-]n1 ZINC001592263936 1173839391 /nfs/dbraw/zinc/83/93/91/1173839391.db2.gz KDMPABWAUFPTGK-UHFFFAOYSA-N -1 1 268.280 1.544 20 0 CDADMM Cc1cnc(CCNc2cc(C)nc(-c3nnn[n-]3)c2)cn1 ZINC001592292973 1173849384 /nfs/dbraw/zinc/84/93/84/1173849384.db2.gz VNWUWHFBBNIOQM-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1cnc(CCNc2cc(C)nc(-c3nn[n-]n3)c2)cn1 ZINC001592292973 1173849390 /nfs/dbraw/zinc/84/93/90/1173849390.db2.gz VNWUWHFBBNIOQM-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1[nH]nc(NC(=O)C23CCC(CC2)C3)c1-c1nn[n-]n1 ZINC001592327457 1173854203 /nfs/dbraw/zinc/85/42/03/1173854203.db2.gz JSDZPEKSLQWBMI-UHFFFAOYSA-N -1 1 287.327 1.417 20 0 CDADMM Cc1nc(Cl)n(Cc2ccc(-c3nn[n-]n3)s2)n1 ZINC001592362886 1173867830 /nfs/dbraw/zinc/86/78/30/1173867830.db2.gz HVPJPSSPARIAQF-UHFFFAOYSA-N -1 1 281.732 1.530 20 0 CDADMM Cc1nc(NC(=O)c2cccc(-c3nnn[n-]3)n2)oc1C ZINC001592377609 1173872841 /nfs/dbraw/zinc/87/28/41/1173872841.db2.gz WULCQANOMKOCGK-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1nc(NC(=O)c2cccc(-c3nn[n-]n3)n2)oc1C ZINC001592377609 1173872846 /nfs/dbraw/zinc/87/28/46/1173872846.db2.gz WULCQANOMKOCGK-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1c([C@H](C)Nc2cc(-c3nnn[n-]3)nc(C)n2)cnn1C ZINC001592381267 1173874053 /nfs/dbraw/zinc/87/40/53/1173874053.db2.gz WOIPCNZUEARYCF-ZETCQYMHSA-N -1 1 299.342 1.180 20 0 CDADMM Cc1c([C@H](C)Nc2cc(-c3nn[n-]n3)nc(C)n2)cnn1C ZINC001592381267 1173874058 /nfs/dbraw/zinc/87/40/58/1173874058.db2.gz WOIPCNZUEARYCF-ZETCQYMHSA-N -1 1 299.342 1.180 20 0 CDADMM Cc1nc(N[C@@]23C[C@@H]2CCCC3)cc(-c2nnn[n-]2)n1 ZINC001592380167 1173874164 /nfs/dbraw/zinc/87/41/64/1173874164.db2.gz DGDMHJSQQLRIQT-ZANVPECISA-N -1 1 271.328 1.710 20 0 CDADMM Cc1nc(NC2CC3(CC3(F)F)C2)cc(-c2nnn[n-]2)n1 ZINC001592383027 1173875594 /nfs/dbraw/zinc/87/55/94/1173875594.db2.gz YVDGDRNMJYHLDD-UHFFFAOYSA-N -1 1 293.281 1.565 20 0 CDADMM Cc1nc(NC2CC3(CC3(F)F)C2)cc(-c2nn[n-]n2)n1 ZINC001592383027 1173875601 /nfs/dbraw/zinc/87/56/01/1173875601.db2.gz YVDGDRNMJYHLDD-UHFFFAOYSA-N -1 1 293.281 1.565 20 0 CDADMM Cc1nnc(CN(C)Cc2ccc(-c3nnn[n-]3)o2)s1 ZINC001592442482 1173891813 /nfs/dbraw/zinc/89/18/13/1173891813.db2.gz PJUMFOWDIRAXIX-UHFFFAOYSA-N -1 1 291.340 1.252 20 0 CDADMM Cc1nnc(CN(C)Cc2ccc(-c3nn[n-]n3)o2)s1 ZINC001592442482 1173891825 /nfs/dbraw/zinc/89/18/25/1173891825.db2.gz PJUMFOWDIRAXIX-UHFFFAOYSA-N -1 1 291.340 1.252 20 0 CDADMM Cc1nsc(N(C)C(=O)c2ccoc2)c1-c1nnn[n-]1 ZINC001592467834 1173897583 /nfs/dbraw/zinc/89/75/83/1173897583.db2.gz LIBTUMLGAJHWTE-UHFFFAOYSA-N -1 1 290.308 1.501 20 0 CDADMM Cc1nsc(N(C)C(=O)c2ccoc2)c1-c1nn[n-]n1 ZINC001592467834 1173897586 /nfs/dbraw/zinc/89/75/86/1173897586.db2.gz LIBTUMLGAJHWTE-UHFFFAOYSA-N -1 1 290.308 1.501 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC1CCCC1 ZINC001592503742 1173909011 /nfs/dbraw/zinc/90/90/11/1173909011.db2.gz XYAZGAXCDYIBDO-UHFFFAOYSA-N -1 1 275.312 1.688 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC1CCCC1 ZINC001592503742 1173909015 /nfs/dbraw/zinc/90/90/15/1173909015.db2.gz XYAZGAXCDYIBDO-UHFFFAOYSA-N -1 1 275.312 1.688 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001592754627 1173986814 /nfs/dbraw/zinc/98/68/14/1173986814.db2.gz PVJLQRIRVNVWGF-DTWKUNHWSA-N -1 1 287.327 1.112 20 0 CDADMM O=C(C=Cc1ccco1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592802288 1173990698 /nfs/dbraw/zinc/99/06/98/1173990698.db2.gz RTHNVUCJLUKMCW-VOTSOKGWSA-N -1 1 282.263 1.507 20 0 CDADMM O=C(C=Cc1ccco1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592802288 1173990701 /nfs/dbraw/zinc/99/07/01/1173990701.db2.gz RTHNVUCJLUKMCW-VOTSOKGWSA-N -1 1 282.263 1.507 20 0 CDADMM O=C(N[C@H]1C=CCC1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001592966500 1174008023 /nfs/dbraw/zinc/00/80/23/1174008023.db2.gz ZSUFSVICIVYRCU-VIFPVBQESA-N -1 1 294.318 1.796 20 0 CDADMM O=C(NCC1(CC2CC2)CC1)c1ccc(-c2nnn[n-]2)o1 ZINC001593016644 1174012554 /nfs/dbraw/zinc/01/25/54/1174012554.db2.gz YBUPMFMWXLXRJD-UHFFFAOYSA-N -1 1 287.323 1.770 20 0 CDADMM O=C(NCC1(CC2CC2)CC1)c1ccc(-c2nn[n-]n2)o1 ZINC001593016644 1174012562 /nfs/dbraw/zinc/01/25/62/1174012562.db2.gz YBUPMFMWXLXRJD-UHFFFAOYSA-N -1 1 287.323 1.770 20 0 CDADMM O=C(NCC1(CC2CC2)CC1)c1coc(-c2nnn[n-]2)c1 ZINC001593015515 1174012746 /nfs/dbraw/zinc/01/27/46/1174012746.db2.gz DEOARTRGVAEHHY-UHFFFAOYSA-N -1 1 287.323 1.770 20 0 CDADMM O=C(NCC1(CC2CC2)CC1)c1coc(-c2nn[n-]n2)c1 ZINC001593015515 1174012758 /nfs/dbraw/zinc/01/27/58/1174012758.db2.gz DEOARTRGVAEHHY-UHFFFAOYSA-N -1 1 287.323 1.770 20 0 CDADMM O=C(NCC[C@@H]1CC1(F)F)c1ccnc(-c2nnn[n-]2)c1 ZINC001593059941 1174017888 /nfs/dbraw/zinc/01/78/88/1174017888.db2.gz HJPSEKDYQNNONC-MRVPVSSYSA-N -1 1 294.265 1.037 20 0 CDADMM O=C(NCC[C@@H]1CC1(F)F)c1ccnc(-c2nn[n-]n2)c1 ZINC001593059941 1174017894 /nfs/dbraw/zinc/01/78/94/1174017894.db2.gz HJPSEKDYQNNONC-MRVPVSSYSA-N -1 1 294.265 1.037 20 0 CDADMM O=C(Nc1ccc(CO)cc1)c1coc(-c2nnn[n-]2)c1 ZINC001593227974 1174035878 /nfs/dbraw/zinc/03/58/78/1174035878.db2.gz YZGXPWCWSZWFIS-UHFFFAOYSA-N -1 1 285.263 1.204 20 0 CDADMM O=C(Nc1ccc(CO)cc1)c1coc(-c2nn[n-]n2)c1 ZINC001593227974 1174035884 /nfs/dbraw/zinc/03/58/84/1174035884.db2.gz YZGXPWCWSZWFIS-UHFFFAOYSA-N -1 1 285.263 1.204 20 0 CDADMM O=C(Nc1ccccc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593250992 1174038905 /nfs/dbraw/zinc/03/89/05/1174038905.db2.gz OJVQDTREKBPJAO-UHFFFAOYSA-N -1 1 266.264 1.514 20 0 CDADMM O=C(Nc1ccccc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593250992 1174038909 /nfs/dbraw/zinc/03/89/09/1174038909.db2.gz OJVQDTREKBPJAO-UHFFFAOYSA-N -1 1 266.264 1.514 20 0 CDADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)C1CCC(O)CC1 ZINC001593297804 1174058061 /nfs/dbraw/zinc/05/80/61/1174058061.db2.gz QQFBLBPHHHHQIX-UHFFFAOYSA-N -1 1 292.295 1.054 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)C1CCC(O)CC1 ZINC001593297804 1174058072 /nfs/dbraw/zinc/05/80/72/1174058072.db2.gz QQFBLBPHHHHQIX-UHFFFAOYSA-N -1 1 292.295 1.054 20 0 CDADMM O=S(=O)(Oc1ccccc1)c1ccc(-c2nn[nH]n2)o1 ZINC001593449894 1174079783 /nfs/dbraw/zinc/07/97/83/1174079783.db2.gz JASIADQYOCKBPM-UHFFFAOYSA-N -1 1 292.276 1.227 20 0 CDADMM O=S(=O)(Oc1ccccc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593449894 1174079790 /nfs/dbraw/zinc/07/97/90/1174079790.db2.gz JASIADQYOCKBPM-UHFFFAOYSA-N -1 1 292.276 1.227 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1CCSc1ccccc1 ZINC001593496510 1174087663 /nfs/dbraw/zinc/08/76/63/1174087663.db2.gz MUCUPJQSUONCOI-UHFFFAOYSA-N -1 1 299.359 1.821 20 0 CDADMM Oc1ccccc1CCNc1cccnc1-c1nnn[n-]1 ZINC001593540045 1174111878 /nfs/dbraw/zinc/11/18/78/1174111878.db2.gz MJVWUWGNMZIAPA-UHFFFAOYSA-N -1 1 282.307 1.622 20 0 CDADMM Oc1ccccc1CCNc1cccnc1-c1nn[n-]n1 ZINC001593540045 1174111884 /nfs/dbraw/zinc/11/18/84/1174111884.db2.gz MJVWUWGNMZIAPA-UHFFFAOYSA-N -1 1 282.307 1.622 20 0 CDADMM c1cc(NC[C@@H]2C[C@H]3CCC[C@H]3O2)nc(-c2nnn[n-]2)c1 ZINC001593558429 1174133603 /nfs/dbraw/zinc/13/36/03/1174133603.db2.gz MUHVNMCWCKQOSD-JFGNBEQYSA-N -1 1 286.339 1.631 20 0 CDADMM c1cc(NC[C@@H]2C[C@H]3CCC[C@H]3O2)nc(-c2nn[n-]n2)c1 ZINC001593558429 1174133608 /nfs/dbraw/zinc/13/36/08/1174133608.db2.gz MUHVNMCWCKQOSD-JFGNBEQYSA-N -1 1 286.339 1.631 20 0 CDADMM c1cc(N[C@@H]2C[C@H]2C2CCC2)nc(-c2nnn[n-]2)c1 ZINC001593561779 1174138266 /nfs/dbraw/zinc/13/82/66/1174138266.db2.gz YDVUXOWWWWGRJL-GXSJLCMTSA-N -1 1 256.313 1.862 20 0 CDADMM c1cc(N[C@@H]2C[C@H]2C2CCC2)nc(-c2nn[n-]n2)c1 ZINC001593561779 1174138269 /nfs/dbraw/zinc/13/82/69/1174138269.db2.gz YDVUXOWWWWGRJL-GXSJLCMTSA-N -1 1 256.313 1.862 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OC[C@@H]2CC[C@@H](C3CC3)O2)c1 ZINC001593583600 1174150684 /nfs/dbraw/zinc/15/06/84/1174150684.db2.gz AKABQQUPQGFJDV-QWRGUYRKSA-N -1 1 287.323 1.598 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OC[C@@H]2CC[C@@H](C3CC3)O2)c1 ZINC001593583600 1174150693 /nfs/dbraw/zinc/15/06/93/1174150693.db2.gz AKABQQUPQGFJDV-QWRGUYRKSA-N -1 1 287.323 1.598 20 0 CDADMM c1cncc(-c2noc(-c3cccc(-c4nnn[n-]4)n3)n2)c1 ZINC001593588319 1174156048 /nfs/dbraw/zinc/15/60/48/1174156048.db2.gz XHUHBBQMJAUSAC-UHFFFAOYSA-N -1 1 292.262 1.374 20 0 CDADMM c1cncc(-c2noc(-c3cccc(-c4nn[n-]n4)n3)n2)c1 ZINC001593588319 1174156050 /nfs/dbraw/zinc/15/60/50/1174156050.db2.gz XHUHBBQMJAUSAC-UHFFFAOYSA-N -1 1 292.262 1.374 20 0 CDADMM c1nc(NCC[C@@H]2C[C@H]2C2CC2)cc(-c2nnn[n-]2)n1 ZINC001593591058 1174160561 /nfs/dbraw/zinc/16/05/61/1174160561.db2.gz JWIMAYMWXYYTRT-ZJUUUORDSA-N -1 1 271.328 1.505 20 0 CDADMM c1nc(NCC[C@@H]2C[C@H]2C2CC2)cc(-c2nn[n-]n2)n1 ZINC001593591058 1174160567 /nfs/dbraw/zinc/16/05/67/1174160567.db2.gz JWIMAYMWXYYTRT-ZJUUUORDSA-N -1 1 271.328 1.505 20 0 CDADMM c1ncc(-c2nnn[n-]2)c(SCC2CCCC2)n1 ZINC001593594443 1174162499 /nfs/dbraw/zinc/16/24/99/1174162499.db2.gz BPZTVFGRBYYURW-UHFFFAOYSA-N -1 1 262.342 1.939 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(SCC2CCCC2)n1 ZINC001593594443 1174162501 /nfs/dbraw/zinc/16/25/01/1174162501.db2.gz BPZTVFGRBYYURW-UHFFFAOYSA-N -1 1 262.342 1.939 20 0 CDADMM Cc1cc(C(=O)[O-])oc1C(=O)NCc1ccc2cncn2c1 ZINC001600132792 1174373137 /nfs/dbraw/zinc/37/31/37/1174373137.db2.gz HTUUHWSJKIBTPP-UHFFFAOYSA-N -1 1 299.286 1.864 20 0 CDADMM Cc1cc(CN2CC[C@H](n3cccn3)C2)[nH]c1C(=O)[O-] ZINC001600193409 1174399253 /nfs/dbraw/zinc/39/92/53/1174399253.db2.gz PXZDUHQSLUXZIA-LBPRGKRZSA-N -1 1 274.324 1.665 20 0 CDADMM Cc1cc(N)nc(N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)n1 ZINC001600237260 1174419933 /nfs/dbraw/zinc/41/99/33/1174419933.db2.gz MMTDZTHVYWHALK-CHWSQXEVSA-N -1 1 298.346 1.672 20 0 CDADMM Cc1cc(N)nc(N2Cc3ccccc3[C@H](C(=O)[O-])C2)n1 ZINC001600237598 1174420144 /nfs/dbraw/zinc/42/01/44/1174420144.db2.gz TTZCJXWRZVXPKU-GFCCVEGCSA-N -1 1 284.319 1.556 20 0 CDADMM Cc1cc(NC(=O)Cc2n[nH]c(C3CC3)n2)c(C(=O)[O-])[nH]1 ZINC001600257495 1174425608 /nfs/dbraw/zinc/42/56/08/1174425608.db2.gz PXANBNZNVCDQIR-UHFFFAOYSA-N -1 1 289.295 1.198 20 0 CDADMM Cc1ccc(-n2cc(CN3CC4CC3(C(=O)[O-])C4)nn2)cc1 ZINC001600321549 1174443094 /nfs/dbraw/zinc/44/30/94/1174443094.db2.gz NDTSTZDTOVLESD-UHFFFAOYSA-N -1 1 298.346 1.625 20 0 CDADMM Cc1cccnc1NC(=O)CN(C)C(C)(C)CC(=O)[O-] ZINC001600592566 1174518252 /nfs/dbraw/zinc/51/82/52/1174518252.db2.gz JXVLZAJOSBLQJS-UHFFFAOYSA-N -1 1 279.340 1.514 20 0 CDADMM Cc1nc(NC(=O)[C@@H](C)N[C@@H](C(=O)[O-])C2CC2)sc1C ZINC001600710560 1174575223 /nfs/dbraw/zinc/57/52/23/1174575223.db2.gz GOUAYLIVSQRLPY-GMSGAONNSA-N -1 1 297.380 1.540 20 0 CDADMM Cc1nnc([C@H](C)NCC2(CC(=O)[O-])CC2)s1 ZINC001600792996 1174611650 /nfs/dbraw/zinc/61/16/50/1174611650.db2.gz ULBJCMCTAOCKLA-ZETCQYMHSA-N -1 1 255.343 1.752 20 0 CDADMM Cc1nc([C@H](C)NCc2ccsc2C(=O)[O-])n[nH]1 ZINC001600792141 1174611791 /nfs/dbraw/zinc/61/17/91/1174611791.db2.gz IDMCVKFQHXHMBU-LURJTMIESA-N -1 1 266.326 1.724 20 0 CDADMM Cc1noc(C2CN(Cc3ccc(C(=O)[O-])c(C)c3)C2)n1 ZINC001600813799 1174624619 /nfs/dbraw/zinc/62/46/19/1174624619.db2.gz PKGVYBHFWSNKNN-UHFFFAOYSA-N -1 1 287.319 1.984 20 0 CDADMM O=C(CN1CCC2(CC2)CC1)NC1(C(=O)[O-])CCCCC1 ZINC001601308823 1174831002 /nfs/dbraw/zinc/83/10/02/1174831002.db2.gz XJEINFMCTFNBNW-UHFFFAOYSA-N -1 1 294.395 1.766 20 0 CDADMM O=C([O-])[C@@]1(C(F)(F)F)CCN(CCOC(F)F)C1 ZINC001601706944 1174958629 /nfs/dbraw/zinc/95/86/29/1174958629.db2.gz IUGLNERHEDCZTK-MRVPVSSYSA-N -1 1 277.189 1.565 20 0 CDADMM O=C([O-])C12CC(C1)C[N@H+]2Cc1scnc1Cl ZINC001601728043 1174970667 /nfs/dbraw/zinc/97/06/67/1174970667.db2.gz FLXWCYYVOHSASL-UHFFFAOYSA-N -1 1 258.730 1.846 20 0 CDADMM O=C([O-])C12CC(C1)CN2Cc1scnc1Cl ZINC001601728043 1174970671 /nfs/dbraw/zinc/97/06/71/1174970671.db2.gz FLXWCYYVOHSASL-UHFFFAOYSA-N -1 1 258.730 1.846 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CCNC(=O)[C@@H]1CCCN1Cc1c(F)cc([O-])cc1F ZINC001144567435 931906408 /nfs/dbraw/zinc/90/64/08/931906408.db2.gz KDWYKBSTKGBBLX-ZDUSSCGKSA-N -1 1 284.306 1.771 20 0 CDADMM C[C@@H]1CN(Cc2cc(F)c([O-])cc2F)CC[C@H]1O ZINC001144647611 931942269 /nfs/dbraw/zinc/94/22/69/931942269.db2.gz IPRKEOHRQKOTIL-PRHODGIISA-N -1 1 257.280 1.873 20 0 CDADMM [O-]c1cc(F)c(CN2CC[C@@](F)(CO)C2)cc1F ZINC001144648455 931942625 /nfs/dbraw/zinc/94/26/25/931942625.db2.gz TZNGQBXVMSBPCP-LBPRGKRZSA-N -1 1 261.243 1.577 20 0 CDADMM CC(C)(O)CN1CCN(Cc2sccc2C(=O)[O-])CC1 ZINC001144685413 931963686 /nfs/dbraw/zinc/96/36/86/931963686.db2.gz QUSDFBILISPSLD-UHFFFAOYSA-N -1 1 298.408 1.335 20 0 CDADMM CCC[C@@H](NC(=O)c1cc(C(F)F)n(C)n1)c1nn[n-]n1 ZINC001411855464 932079049 /nfs/dbraw/zinc/07/90/49/932079049.db2.gz HBGVUQFVWAXRBE-ZCFIWIBFSA-N -1 1 299.285 1.142 20 0 CDADMM CC[C@@H](C)n1nc(NC(=O)CCCc2nn[n-]n2)cc1C ZINC001411949046 932170601 /nfs/dbraw/zinc/17/06/01/932170601.db2.gz IAPSHZSHQPPFTF-SECBINFHSA-N -1 1 291.359 1.637 20 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282.315 1.598 20 0 CDADMM Cc1ccccc1[C@@H](CO)N(C)C(=O)c1cncc([O-])c1 ZINC000923717679 932734950 /nfs/dbraw/zinc/73/49/50/932734950.db2.gz NTUMZDXVYIXNAB-OAHLLOKOSA-N -1 1 286.331 1.901 20 0 CDADMM CN1CCOc2cc(NC(=O)c3cncc([O-])c3)ccc21 ZINC001155179151 937645411 /nfs/dbraw/zinc/64/54/11/937645411.db2.gz MSRLZQLIGQYJLQ-UHFFFAOYSA-N -1 1 285.303 1.868 20 0 CDADMM CCn1nnc(C)c1C[N@@H+](C)C(C)(C)CC(=O)[O-] ZINC001119538094 937729718 /nfs/dbraw/zinc/72/97/18/937729718.db2.gz XSMGYRVJQQCNGL-UHFFFAOYSA-N -1 1 254.334 1.292 20 0 CDADMM O=C(Cc1ccc([O-])c(Cl)c1)NC1=CC=NCC1=O ZINC001412831743 934660531 /nfs/dbraw/zinc/66/05/31/934660531.db2.gz UPBSFFCMZWDSFD-UHFFFAOYSA-N -1 1 278.695 1.749 20 0 CDADMM CO[C@@H]1CCN(C(=O)c2c(C)[nH]c(=O)[n-]c2=S)C[C@H]1C ZINC001123897039 936242026 /nfs/dbraw/zinc/24/20/26/936242026.db2.gz VEHJYNRAHXNTCR-VXNVDRBHSA-N -1 1 297.380 1.276 20 0 CDADMM C[C@@H]1COCC[C@H]1CNC(=O)c1ccc(F)c([O-])c1 ZINC001157024814 938447098 /nfs/dbraw/zinc/44/70/98/938447098.db2.gz LNPBGJUWOGPPRZ-KOLCDFICSA-N -1 1 267.300 1.934 20 0 CDADMM O=C(Nc1ccc([O-])c(F)c1F)c1cn2cccnc2n1 ZINC001157805974 938548534 /nfs/dbraw/zinc/54/85/34/938548534.db2.gz SOHNFUDXLRAMEJ-UHFFFAOYSA-N -1 1 290.229 1.965 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2ncnc3ccccc32)[n-]1 ZINC001159192740 938710223 /nfs/dbraw/zinc/71/02/23/938710223.db2.gz WSAMMYVUNYXCIL-UHFFFAOYSA-N -1 1 279.263 1.745 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2cnc(-c3ccco3)cn2)[n-]1 ZINC001159198347 938711117 /nfs/dbraw/zinc/71/11/17/938711117.db2.gz MENZBQDEGUIURI-UHFFFAOYSA-N -1 1 295.262 1.852 20 0 CDADMM CCSc1ccnc(Nc2c(O)[nH]c(=O)[n-]c2=S)c1 ZINC001160858619 938834686 /nfs/dbraw/zinc/83/46/86/938834686.db2.gz VBMNAWSWNJEOIC-QMMMGPOBSA-N -1 1 296.377 1.141 20 0 CDADMM COC[C@@H](NC(=O)c1ccc([O-])cc1F)C1CC1 ZINC000165263834 940232008 /nfs/dbraw/zinc/23/20/08/940232008.db2.gz DRKYJKNMKIUORU-GFCCVEGCSA-N -1 1 253.273 1.686 20 0 CDADMM O=S(=O)(N[C@H]1[CH]CC=C1)c1c(F)cccc1F ZINC001259072712 945478240 /nfs/dbraw/zinc/47/82/40/945478240.db2.gz MQFVIPQPXBKJCD-MRVPVSSYSA-N -1 1 258.269 1.776 20 0 CDADMM Nc1ccccc1S(=O)(=O)[N-]c1cccnc1F ZINC000401497333 940870372 /nfs/dbraw/zinc/87/03/72/940870372.db2.gz DZLBPDNUMFLFNT-UHFFFAOYSA-N -1 1 267.285 1.604 20 0 CDADMM COc1nc(Nc2cc3[nH]ncc3c(F)c2)cc(=O)[n-]1 ZINC001215553269 940893806 /nfs/dbraw/zinc/89/38/06/940893806.db2.gz SVLXQZVUBAGIOQ-UHFFFAOYSA-N -1 1 275.243 1.950 20 0 CDADMM COc1ncc(Nc2cc(=O)[n-]c(N(C)C)n2)cc1O ZINC001216206002 940927942 /nfs/dbraw/zinc/92/79/42/940927942.db2.gz BTVWOEMYZOMJMC-UHFFFAOYSA-N -1 1 277.284 1.101 20 0 CDADMM Cc1c(Nc2cc(=O)nc(N(C)C)[nH]2)cccc1C(=O)[O-] ZINC001216658273 940957815 /nfs/dbraw/zinc/95/78/15/940957815.db2.gz WZTOLIHBXAEKGW-UHFFFAOYSA-N -1 1 288.307 1.998 20 0 CDADMM COc1ccc([C@H](C)OCc2nn[n-]n2)cc1OC ZINC001223027703 941651090 /nfs/dbraw/zinc/65/10/90/941651090.db2.gz RKYVYCVGYIIGKX-QMMMGPOBSA-N -1 1 264.285 1.495 20 0 CDADMM COC(=O)CC1CCC(OCC[P@](=O)([O-])O)CC1 ZINC001224600934 941774201 /nfs/dbraw/zinc/77/42/01/941774201.db2.gz CAGYBGSOTLRXMS-UHFFFAOYSA-N -1 1 280.257 1.303 20 0 CDADMM C[C@@H](O)CCCC(=O)OCCCC[P@](=O)([O-])O ZINC001225019028 941814507 /nfs/dbraw/zinc/81/45/07/941814507.db2.gz PETIAQTVWYMUPH-SECBINFHSA-N -1 1 268.246 1.039 20 0 CDADMM CC1(C)C[C@H](OCCCC[P@](=O)([O-])O)CCO1 ZINC001225018820 941814622 /nfs/dbraw/zinc/81/46/22/941814622.db2.gz ILEJKVIMZFGZFN-SNVBAGLBSA-N -1 1 266.274 1.919 20 0 CDADMM COC[C@H](C)OC[C@H](C)Oc1cc(=O)[n-]c(=S)[nH]1 ZINC001225764247 941909965 /nfs/dbraw/zinc/90/99/65/941909965.db2.gz FEZIDQFEIGBWEF-YUMQZZPRSA-N -1 1 274.342 1.290 20 0 CDADMM CC1(C)C[C@H](Oc2cc(=O)[n-]c(=S)[nH]2)CCO1 ZINC001225763702 941910661 /nfs/dbraw/zinc/91/06/61/941910661.db2.gz BYTFFAUTHXKXGH-SSDOTTSWSA-N -1 1 256.327 1.807 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2ccc(C(N)=O)c(C)c2)c1[O-] ZINC001362074612 970853284 /nfs/dbraw/zinc/85/32/84/970853284.db2.gz RWFKGDMKCVECGP-UHFFFAOYSA-N -1 1 274.280 1.083 20 0 CDADMM COc1cnc(=S)[n-]c1O[C@@H]1COc2cnccc21 ZINC001226246756 941974506 /nfs/dbraw/zinc/97/45/06/941974506.db2.gz QYYIQCPVGSZYDR-SNVBAGLBSA-N -1 1 277.305 1.681 20 0 CDADMM CCC[C@@H](C)Oc1[n-]c(=O)nc2c(=O)[nH]c(=O)[nH]c21 ZINC001226888982 942090174 /nfs/dbraw/zinc/09/01/74/942090174.db2.gz XHAQHDZNBVCLDJ-RXMQYKEDSA-N -1 1 266.257 1.104 20 0 CDADMM CC(C)CCOC(=O)[C@@H](C)Oc1cnc[n-]c1=O ZINC001227052353 942121935 /nfs/dbraw/zinc/12/19/35/942121935.db2.gz ZAJSZLSCIPNNFQ-SECBINFHSA-N -1 1 254.286 1.539 20 0 CDADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc([O-])cn1)CO2 ZINC001362088144 970870008 /nfs/dbraw/zinc/87/00/08/970870008.db2.gz MTPPCHZQQURYMI-ZDUSSCGKSA-N -1 1 270.288 1.959 20 0 CDADMM O=c1[nH]c2nc(O[C@@H]3CCc4ccccc43)[n-]c2c(=O)[nH]1 ZINC001227431566 942174734 /nfs/dbraw/zinc/17/47/34/942174734.db2.gz FHQZACJTONVBSI-SECBINFHSA-N -1 1 284.275 1.830 20 0 CDADMM O=c1[nH]c2[n-]c(O[C@@H]3CCc4ccccc43)nc2c(=O)[nH]1 ZINC001227431566 942174737 /nfs/dbraw/zinc/17/47/37/942174737.db2.gz FHQZACJTONVBSI-SECBINFHSA-N -1 1 284.275 1.830 20 0 CDADMM O=c1nc(OC2CC(OCc3ccccc3)C2)[n-]c(=O)[nH]1 ZINC001227566975 942189955 /nfs/dbraw/zinc/18/99/55/942189955.db2.gz LIJTYBOGUADDPL-UHFFFAOYSA-N -1 1 289.291 1.409 20 0 CDADMM O=c1nc(O[C@H]2CCCc3c(Cl)ccnc32)[n-]c(=O)[nH]1 ZINC001227570939 942190729 /nfs/dbraw/zinc/19/07/29/942190729.db2.gz YRTHJFOFZUIILM-QMMMGPOBSA-N -1 1 294.698 1.788 20 0 CDADMM Cc1cn2c(n1)[C@@H](Oc1[n-]c(=O)nc3c1COC3)CCC2 ZINC001227687084 942203841 /nfs/dbraw/zinc/20/38/41/942203841.db2.gz ZXOTUVRGVJPUMP-NSHDSACASA-N -1 1 288.307 1.631 20 0 CDADMM CSc1nc(O[C@@H]2CCOC[C@H]2F)cc(=O)[n-]1 ZINC001228095461 942268346 /nfs/dbraw/zinc/26/83/46/942268346.db2.gz UFNJSVRYRHMKRI-RNFRBKRXSA-N -1 1 260.290 1.410 20 0 CDADMM COC(=O)c1n[n-]c(O[C@H](C)c2cnc3ccccn32)n1 ZINC001228308605 942294654 /nfs/dbraw/zinc/29/46/54/942294654.db2.gz KSMJDFSTEJKDHW-MRVPVSSYSA-N -1 1 287.279 1.379 20 0 CDADMM COC(=O)c1nc(O[C@H](C)c2cnc3ccccn32)n[n-]1 ZINC001228308605 942294656 /nfs/dbraw/zinc/29/46/56/942294656.db2.gz KSMJDFSTEJKDHW-MRVPVSSYSA-N -1 1 287.279 1.379 20 0 CDADMM COC(=O)c1n[n-]c(O[C@H](C(=O)OC(C)(C)C)C(C)C)n1 ZINC001228311186 942296848 /nfs/dbraw/zinc/29/68/48/942296848.db2.gz KBVRUARSRPDZGV-QMMMGPOBSA-N -1 1 299.327 1.336 20 0 CDADMM COC(=O)c1nc(O[C@H](C(=O)OC(C)(C)C)C(C)C)n[n-]1 ZINC001228311186 942296850 /nfs/dbraw/zinc/29/68/50/942296850.db2.gz KBVRUARSRPDZGV-QMMMGPOBSA-N -1 1 299.327 1.336 20 0 CDADMM COC(=O)c1n[n-]c(O[C@H]2CCC=CCCC2)n1 ZINC001228312547 942296968 /nfs/dbraw/zinc/29/69/68/942296968.db2.gz UANSKXOHQASDHE-VIFPVBQESA-N -1 1 251.286 1.859 20 0 CDADMM COC(=O)c1nc(O[C@H]2CCC=CCCC2)n[n-]1 ZINC001228312547 942296970 /nfs/dbraw/zinc/29/69/70/942296970.db2.gz UANSKXOHQASDHE-VIFPVBQESA-N -1 1 251.286 1.859 20 0 CDADMM COC(=O)c1c[n-]c(=O)nc1O[C@@H](C)CC(C)C ZINC001229873260 942546241 /nfs/dbraw/zinc/54/62/41/942546241.db2.gz RPQQVFGIYDNJIL-QMMMGPOBSA-N -1 1 254.286 1.782 20 0 CDADMM CCOC(=O)N1CCC[C@H](Oc2nc(C(=O)OC)c[n-]2)C1 ZINC001230279928 942599470 /nfs/dbraw/zinc/59/94/70/942599470.db2.gz KMBBSUNTSOICGK-VIFPVBQESA-N -1 1 297.311 1.196 20 0 CDADMM COC(=O)c1c[n-]c(O[C@H](C)c2ccncc2F)n1 ZINC001230281875 942602071 /nfs/dbraw/zinc/60/20/71/942602071.db2.gz JXNGABXTUNAGCD-SSDOTTSWSA-N -1 1 265.244 1.870 20 0 CDADMM COC(=O)c1c[n-]c(O[C@@H]2COc3cnccc32)n1 ZINC001230289551 942603194 /nfs/dbraw/zinc/60/31/94/942603194.db2.gz YKORXSPEMHURHD-SNVBAGLBSA-N -1 1 261.237 1.104 20 0 CDADMM [O-]c1cccnc1-c1ncccc1OC[C@@H]1COCCO1 ZINC001231200450 942817302 /nfs/dbraw/zinc/81/73/02/942817302.db2.gz NYCGPWDTFUZSCP-NSHDSACASA-N -1 1 288.303 1.643 20 0 CDADMM CC(=O)[C@@H]1CN(Cc2ccc(Cl)c([O-])c2)CCO1 ZINC001231735236 942993217 /nfs/dbraw/zinc/99/32/17/942993217.db2.gz LFMPIRRURCJCOL-ZDUSSCGKSA-N -1 1 269.728 1.835 20 0 CDADMM COc1ccc(C[N@H+]2CC[C@@](C)(O)[C@H](C)C2)cc1C(=O)[O-] ZINC001231750015 943002694 /nfs/dbraw/zinc/00/26/94/943002694.db2.gz TZMMPXKMXIMZQS-BDJLRTHQSA-N -1 1 293.363 1.986 20 0 CDADMM [O-]c1cccc(CN2CC[C@@H](F)[C@H](O)C2)c1Cl ZINC001232784772 943392476 /nfs/dbraw/zinc/39/24/76/943392476.db2.gz TYOBACGGTIDYFX-MWLCHTKSSA-N -1 1 259.708 1.950 20 0 CDADMM CCOC(=O)[C@H]1[C@@H]2CN(Cc3cc([O-])c(F)c(F)c3)C[C@@H]21 ZINC001232975143 943453636 /nfs/dbraw/zinc/45/36/36/943453636.db2.gz DXUILNZLVAUJNJ-IWIIMEHWSA-N -1 1 297.301 1.911 20 0 CDADMM C[C@@H]1CC(=O)CCN1Cc1cc(Cl)ncc1[O-] ZINC001233032569 943467816 /nfs/dbraw/zinc/46/78/16/943467816.db2.gz LPEITHAXKASRQE-MRVPVSSYSA-N -1 1 254.717 1.994 20 0 CDADMM N#CN1CCN(Cc2cc(Cl)ncc2[O-])CC1 ZINC001233041538 943471528 /nfs/dbraw/zinc/47/15/28/943471528.db2.gz YJJJMQVQDMGGPD-UHFFFAOYSA-N -1 1 252.705 1.039 20 0 CDADMM CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(O)c3F)C[C@H]21 ZINC001233052856 943478547 /nfs/dbraw/zinc/47/85/47/943478547.db2.gz YIEPIOZAZOBTSJ-JYAVWHMHSA-N -1 1 292.354 1.734 20 0 CDADMM C[C@]1(C(=O)OCc2nn[n-]n2)C[C@@H]1c1ccccc1 ZINC001525996497 971014584 /nfs/dbraw/zinc/01/45/84/971014584.db2.gz XBEMCFRPZDJVMC-MFKMUULPSA-N -1 1 258.281 1.437 20 0 CDADMM Cc1ccc2c(CCC(=O)OCc3nn[n-]n3)c[nH]c2c1 ZINC001525995717 971014695 /nfs/dbraw/zinc/01/46/95/971014695.db2.gz LOVLJKSSJNJUNS-UHFFFAOYSA-N -1 1 285.307 1.665 20 0 CDADMM COC(=O)c1cccc2[n-]c(O[C@H]3CCOC[C@H]3F)nc21 ZINC001234045216 943726833 /nfs/dbraw/zinc/72/68/33/943726833.db2.gz SDIMSDSROFTHDG-KOLCDFICSA-N -1 1 294.282 1.855 20 0 CDADMM Cc1nc(C(N)=O)c(O[C@H](C)CC(C)C)c(=O)[n-]1 ZINC001234468692 943850945 /nfs/dbraw/zinc/85/09/45/943850945.db2.gz BCZHQEUMHQWMHS-SSDOTTSWSA-N -1 1 253.302 1.403 20 0 CDADMM NC(=O)c1nc[n-]c(=O)c1O[C@@H]1CCc2ccccc2C1 ZINC001234466523 943851394 /nfs/dbraw/zinc/85/13/94/943851394.db2.gz IRHPNRCRNAOLFZ-LLVKDONJSA-N -1 1 285.303 1.217 20 0 CDADMM Cc1nc(C(N)=O)c(OC2CCCCCC2)c(=O)[n-]1 ZINC001234469269 943855683 /nfs/dbraw/zinc/85/56/83/943855683.db2.gz GLLHOKAOGYSHET-UHFFFAOYSA-N -1 1 265.313 1.691 20 0 CDADMM Cc1nc(C(N)=O)c(O[C@@H]2CCC[C@@H](C)[C@@H]2C)c(=O)[n-]1 ZINC001234479388 943861688 /nfs/dbraw/zinc/86/16/88/943861688.db2.gz ZQMHBMBSKKCVAZ-KHQFGBGNSA-N -1 1 279.340 1.793 20 0 CDADMM CC(C)c1nc(C(N)=O)c(O[C@@H](C)C2CCC2)c(=O)[n-]1 ZINC001234562869 943894243 /nfs/dbraw/zinc/89/42/43/943894243.db2.gz SLGSDRNSAGQQAM-QMMMGPOBSA-N -1 1 279.340 1.972 20 0 CDADMM COC(=O)c1cc(F)c(=O)[n-]c1O[C@H](C)C1CCOCC1 ZINC001234607685 943913158 /nfs/dbraw/zinc/91/31/58/943913158.db2.gz GHDRWRKFYFINNF-MRVPVSSYSA-N -1 1 299.298 1.907 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCCc1nccs1 ZINC001263722743 943950787 /nfs/dbraw/zinc/95/07/87/943950787.db2.gz FENJBRBDCGNQOV-UHFFFAOYSA-N -1 1 296.377 1.208 20 0 CDADMM NC(=O)N1CCc2cc(NC(=O)c3ccc([O-])cn3)ccc21 ZINC001362228303 971042171 /nfs/dbraw/zinc/04/21/71/971042171.db2.gz YHJCTGDCSRHKFP-UHFFFAOYSA-N -1 1 298.302 1.481 20 0 CDADMM O=C(Nc1cccc(F)c1[O-])C1CC2(C1)CS(=O)(=O)C2 ZINC001263867512 944013963 /nfs/dbraw/zinc/01/39/63/944013963.db2.gz BFNSZZBJVZIRFO-UHFFFAOYSA-N -1 1 299.323 1.295 20 0 CDADMM O=C([O-])C1CN(Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC001601848188 971076477 /nfs/dbraw/zinc/07/64/77/971076477.db2.gz WDSZEYHFSFJKLZ-UHFFFAOYSA-N -1 1 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O=C(Nc1ccccc1F)c1coc(-c2nnn[n-]2)c1 ZINC001593253427 1174039112 /nfs/dbraw/zinc/03/91/12/1174039112.db2.gz NHADTGOUKJGUGX-UHFFFAOYSA-N -1 1 273.227 1.851 20 0 CDADMM O=C(Nc1ccccc1F)c1coc(-c2nn[n-]n2)c1 ZINC001593253427 1174039118 /nfs/dbraw/zinc/03/91/18/1174039118.db2.gz NHADTGOUKJGUGX-UHFFFAOYSA-N -1 1 273.227 1.851 20 0 CDADMM O=C1[N-]C(=O)C(=Cc2cc(-c3nn[nH]n3)cs2)S1 ZINC001593401968 1174077742 /nfs/dbraw/zinc/07/77/42/1174077742.db2.gz UBALAIORFYGJJU-QHHAFSJGSA-N -1 1 279.306 1.252 20 0 CDADMM c1cc(NC[C@@H]2CCCSC2)nc(-c2nn[n-]n2)c1 ZINC001593557889 1174133845 /nfs/dbraw/zinc/13/38/45/1174133845.db2.gz APYHEBRSZYMICW-VIFPVBQESA-N -1 1 276.369 1.817 20 0 CDADMM c1cc(NC[C@@H]2CCCSC2)nc(-c2nnn[n-]2)c1 ZINC001593557889 1174133840 /nfs/dbraw/zinc/13/38/40/1174133840.db2.gz APYHEBRSZYMICW-VIFPVBQESA-N -1 1 276.369 1.817 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N2CCC3(CCO3)CC2)c1 ZINC001593582937 1174149882 /nfs/dbraw/zinc/14/98/82/1174149882.db2.gz GPVOKBUEUBCEBZ-UHFFFAOYSA-N -1 1 272.312 1.021 20 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ZINC000832958837 602179731 /nfs/dbraw/zinc/17/97/31/602179731.db2.gz MAVMCGLCRHWNGB-SECBINFHSA-N -1 1 275.308 1.598 20 0 CDADMM COc1coc(CN2CCC(CCC(=O)[O-])CC2)cc1=O ZINC000832642729 602209487 /nfs/dbraw/zinc/20/94/87/602209487.db2.gz CDWBPTXQLAWETL-UHFFFAOYSA-N -1 1 295.335 1.725 20 0 CDADMM CS(=O)(=O)C1CCN([C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000380433520 602229050 /nfs/dbraw/zinc/22/90/50/602229050.db2.gz KOTAQWQAUPKXIM-ZDUSSCGKSA-N -1 1 297.376 1.321 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@@H+](CCC(=O)[O-])C(C)C)n1 ZINC000700428125 602312699 /nfs/dbraw/zinc/31/26/99/602312699.db2.gz JSSLOSXOOWYQMC-UHFFFAOYSA-N -1 1 253.302 1.176 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@H+](CCC(=O)[O-])C(C)C)n1 ZINC000700428125 602312702 /nfs/dbraw/zinc/31/27/02/602312702.db2.gz JSSLOSXOOWYQMC-UHFFFAOYSA-N -1 1 253.302 1.176 20 0 CDADMM FC1CC2(C1)CN(c1ccc(Cl)c(-c3nnn[n-]3)n1)C2 ZINC000826370556 607809723 /nfs/dbraw/zinc/80/97/23/607809723.db2.gz YIQCRAAOTRUGOS-UHFFFAOYSA-N -1 1 294.721 1.853 20 0 CDADMM FC1CC2(C1)CN(c1ccc(Cl)c(-c3nn[n-]n3)n1)C2 ZINC000826370556 607809724 /nfs/dbraw/zinc/80/97/24/607809724.db2.gz YIQCRAAOTRUGOS-UHFFFAOYSA-N -1 1 294.721 1.853 20 0 CDADMM CC[C@@]1(C)CC(=O)N(CN(C[C@H](C)C(=O)[O-])C2CC2)C1=O ZINC000833646870 604507880 /nfs/dbraw/zinc/50/78/80/604507880.db2.gz VBLJVFFTYSVSTI-BONVTDFDSA-N -1 1 296.367 1.304 20 0 CDADMM O=C([O-])C[C@@H]1CCCN1C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000833207890 604581096 /nfs/dbraw/zinc/58/10/96/604581096.db2.gz GIHHZNFGXGRBCK-UWVGGRQHSA-N -1 1 277.324 1.295 20 0 CDADMM C[C@H]1C[C@H](CNc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000824883875 608195579 /nfs/dbraw/zinc/19/55/79/608195579.db2.gz JTJGXNWXSHWBSX-VHSXEESVSA-N -1 1 274.328 1.489 20 0 CDADMM C[C@H]1C[C@H](CNc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000824883875 608195578 /nfs/dbraw/zinc/19/55/78/608195578.db2.gz JTJGXNWXSHWBSX-VHSXEESVSA-N -1 1 274.328 1.489 20 0 CDADMM C/C(=C/CN1CCC(O)(C(F)(F)F)CC1)C(=O)[O-] ZINC000381092065 604926541 /nfs/dbraw/zinc/92/65/41/604926541.db2.gz MUGZTWZCZMGZFE-WAPJZHGLSA-N -1 1 267.247 1.407 20 0 CDADMM O=C([O-])[C@@H](O)C1CCN(Cc2cccc(F)c2)CC1 ZINC000833771087 604977191 /nfs/dbraw/zinc/97/71/91/604977191.db2.gz VFGKMKCCFXXUGY-ZDUSSCGKSA-N -1 1 267.300 1.483 20 0 CDADMM CC(C)N1CC[C@H](NCc2ccoc2C(=O)[O-])C1=O ZINC000708565704 605100244 /nfs/dbraw/zinc/10/02/44/605100244.db2.gz BIPBZNVWEHBHTO-JTQLQIEISA-N -1 1 266.297 1.077 20 0 CDADMM CCN1C[C@@H](C)N(C(=O)NCCCCCC(=O)[O-])C[C@@H]1C ZINC000820348453 605141465 /nfs/dbraw/zinc/14/14/65/605141465.db2.gz VULNJTGYSRYEMD-QWHCGFSZSA-N -1 1 299.415 1.756 20 0 CDADMM CC(C)C[C@H]1CCN(CN2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000833484588 605175266 /nfs/dbraw/zinc/17/52/66/605175266.db2.gz XDJRDEFYSFDIOK-VXGBXAGGSA-N -1 1 268.357 1.245 20 0 CDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC000833603999 605182581 /nfs/dbraw/zinc/18/25/81/605182581.db2.gz XWTPPRIFYYAXGU-UPJWGTAASA-N -1 1 282.384 1.430 20 0 CDADMM CC(C)(CC(=O)[O-])CC(=O)N1CCN(CC2CC2)CC1 ZINC000061827021 605254674 /nfs/dbraw/zinc/25/46/74/605254674.db2.gz BUMVCIFUVVTQFL-UHFFFAOYSA-N -1 1 282.384 1.432 20 0 CDADMM C[C@H]1[C@H](C)N(C(=O)Cc2ccccc2C(=O)[O-])CCN1C ZINC000833583753 605267784 /nfs/dbraw/zinc/26/77/84/605267784.db2.gz KNJNVFGUFUZJNL-RYUDHWBXSA-N -1 1 290.363 1.478 20 0 CDADMM C[C@@H]1CCC[C@H]1C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833610685 605367767 /nfs/dbraw/zinc/36/77/67/605367767.db2.gz XTLFBFNUEJLKPR-JHJVBQTASA-N -1 1 282.384 1.430 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NCCC2=CCCCC2)n1 ZINC001602747031 1175383564 /nfs/dbraw/zinc/38/35/64/1175383564.db2.gz VIOXQMHKMSINJI-UHFFFAOYSA-N -1 1 271.328 1.959 20 0 CDADMM CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000833454116 605717740 /nfs/dbraw/zinc/71/77/40/605717740.db2.gz DKJAUKVTSSRKFS-JTQLQIEISA-N -1 1 279.340 1.794 20 0 CDADMM O=C(OCc1ccno1)c1ccc(-c2nnn[n-]2)s1 ZINC000823440474 606136077 /nfs/dbraw/zinc/13/60/77/606136077.db2.gz VKBOWOSLNBPUBI-UHFFFAOYSA-N -1 1 277.265 1.273 20 0 CDADMM O=C(OCc1ccno1)c1ccc(-c2nn[n-]n2)s1 ZINC000823440474 606136078 /nfs/dbraw/zinc/13/60/78/606136078.db2.gz VKBOWOSLNBPUBI-UHFFFAOYSA-N -1 1 277.265 1.273 20 0 CDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2(C)CCCC2)n1 ZINC000822609657 606160031 /nfs/dbraw/zinc/16/00/31/606160031.db2.gz TZYRHYDEHUZVHI-UHFFFAOYSA-N -1 1 290.331 1.054 20 0 CDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2(C)CCCC2)n1 ZINC000822609657 606160032 /nfs/dbraw/zinc/16/00/32/606160032.db2.gz TZYRHYDEHUZVHI-UHFFFAOYSA-N -1 1 290.331 1.054 20 0 CDADMM O=C(OCc1nccs1)c1ccc(-c2nnn[n-]2)s1 ZINC000823444340 606178166 /nfs/dbraw/zinc/17/81/66/606178166.db2.gz LKYHHMNRCGGQRZ-UHFFFAOYSA-N -1 1 293.333 1.742 20 0 CDADMM O=C(OCc1nccs1)c1ccc(-c2nn[n-]n2)s1 ZINC000823444340 606178167 /nfs/dbraw/zinc/17/81/67/606178167.db2.gz LKYHHMNRCGGQRZ-UHFFFAOYSA-N -1 1 293.333 1.742 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1C[C@H]1C1CC1 ZINC000823289735 606293546 /nfs/dbraw/zinc/29/35/46/606293546.db2.gz OCQUJAHHDYCMRU-UWVGGRQHSA-N -1 1 285.307 1.557 20 0 CDADMM CO[C@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821697838 606425960 /nfs/dbraw/zinc/42/59/60/606425960.db2.gz SZTRGLXZDGGHOD-ZETCQYMHSA-N -1 1 280.719 1.140 20 0 CDADMM CO[C@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821697838 606425961 /nfs/dbraw/zinc/42/59/61/606425961.db2.gz SZTRGLXZDGGHOD-ZETCQYMHSA-N -1 1 280.719 1.140 20 0 CDADMM C[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820715719 606446131 /nfs/dbraw/zinc/44/61/31/606446131.db2.gz DQCZWFOHNCWYEV-DTWKUNHWSA-N -1 1 272.312 1.132 20 0 CDADMM C[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820715719 606446133 /nfs/dbraw/zinc/44/61/33/606446133.db2.gz DQCZWFOHNCWYEV-DTWKUNHWSA-N -1 1 272.312 1.132 20 0 CDADMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC000820456587 606449622 /nfs/dbraw/zinc/44/96/22/606449622.db2.gz VKGUBYZBPHISJL-CBAPKCEASA-N -1 1 294.746 1.895 20 0 CDADMM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC000820456587 606449623 /nfs/dbraw/zinc/44/96/23/606449623.db2.gz VKGUBYZBPHISJL-CBAPKCEASA-N -1 1 294.746 1.895 20 0 CDADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)nc1 ZINC000822254683 606496048 /nfs/dbraw/zinc/49/60/48/606496048.db2.gz OQDHSOKYTVPOHN-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)nc1 ZINC000822254683 606496049 /nfs/dbraw/zinc/49/60/49/606496049.db2.gz OQDHSOKYTVPOHN-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM CSCC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821962528 606567948 /nfs/dbraw/zinc/56/79/48/606567948.db2.gz RRNCEKZLLRWVBB-ZETCQYMHSA-N -1 1 297.409 1.800 20 0 CDADMM CSCC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821962528 606567949 /nfs/dbraw/zinc/56/79/49/606567949.db2.gz RRNCEKZLLRWVBB-ZETCQYMHSA-N -1 1 297.409 1.800 20 0 CDADMM c1cc(-c2nc(-c3ncccn3)no2)sc1-c1nnn[n-]1 ZINC000823809412 606621113 /nfs/dbraw/zinc/62/11/13/606621113.db2.gz MAIVJOPDAIBVEC-UHFFFAOYSA-N -1 1 298.291 1.435 20 0 CDADMM c1cc(-c2nc(-c3ncccn3)no2)sc1-c1nn[n-]n1 ZINC000823809412 606621114 /nfs/dbraw/zinc/62/11/14/606621114.db2.gz MAIVJOPDAIBVEC-UHFFFAOYSA-N -1 1 298.291 1.435 20 0 CDADMM Clc1cccc(OCCn2ccnc2-c2nnn[n-]2)c1 ZINC000822585535 606655194 /nfs/dbraw/zinc/65/51/94/606655194.db2.gz CWFFGPSEWBQHEV-UHFFFAOYSA-N -1 1 290.714 1.796 20 0 CDADMM Clc1cccc(OCCn2ccnc2-c2nn[n-]n2)c1 ZINC000822585535 606655195 /nfs/dbraw/zinc/65/51/95/606655195.db2.gz CWFFGPSEWBQHEV-UHFFFAOYSA-N -1 1 290.714 1.796 20 0 CDADMM CN(CCOCC1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC000821603887 606733566 /nfs/dbraw/zinc/73/35/66/606733566.db2.gz SXWZXOYPTIPCDS-UHFFFAOYSA-N -1 1 274.328 1.125 20 0 CDADMM CN(CCOCC1CC1)c1cccc(-c2nn[n-]n2)n1 ZINC000821603887 606733567 /nfs/dbraw/zinc/73/35/67/606733567.db2.gz SXWZXOYPTIPCDS-UHFFFAOYSA-N -1 1 274.328 1.125 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CCC3(CCC3)C2)c1 ZINC000823743121 606948722 /nfs/dbraw/zinc/94/87/22/606948722.db2.gz UBNZHHRDGAFHDY-UHFFFAOYSA-N -1 1 256.313 1.642 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CCC3(CCC3)C2)c1 ZINC000823743121 606948723 /nfs/dbraw/zinc/94/87/23/606948723.db2.gz UBNZHHRDGAFHDY-UHFFFAOYSA-N -1 1 256.313 1.642 20 0 CDADMM Cc1ccc2ccccc2c1Cn1cnc(-c2nn[n-]n2)n1 ZINC000822280506 607161546 /nfs/dbraw/zinc/16/15/46/607161546.db2.gz QEPTVIVAYKAJRA-UHFFFAOYSA-N -1 1 291.318 1.968 20 0 CDADMM C[C@@H](CNc1cccc(-c2nnn[n-]2)n1)Cn1cccn1 ZINC000824432882 607896303 /nfs/dbraw/zinc/89/63/03/607896303.db2.gz AWWJESMNGBHNGV-JTQLQIEISA-N -1 1 284.327 1.206 20 0 CDADMM C[C@@H](CNc1cccc(-c2nn[n-]n2)n1)Cn1cccn1 ZINC000824432882 607896304 /nfs/dbraw/zinc/89/63/04/607896304.db2.gz AWWJESMNGBHNGV-JTQLQIEISA-N -1 1 284.327 1.206 20 0 CDADMM COCCC(C)(C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000826153283 607900931 /nfs/dbraw/zinc/90/09/31/607900931.db2.gz HWTGBBPZFCGDKS-UHFFFAOYSA-N -1 1 262.317 1.489 20 0 CDADMM COCCC(C)(C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000826153283 607900932 /nfs/dbraw/zinc/90/09/32/607900932.db2.gz HWTGBBPZFCGDKS-UHFFFAOYSA-N -1 1 262.317 1.489 20 0 CDADMM FC(F)Cn1ccc(Nc2cccc(-c3nnn[n-]3)n2)n1 ZINC000826369777 607901901 /nfs/dbraw/zinc/90/19/01/607901901.db2.gz QBUSHQOSJQYPCB-UHFFFAOYSA-N -1 1 292.253 1.467 20 0 CDADMM FC(F)Cn1ccc(Nc2cccc(-c3nn[n-]n3)n2)n1 ZINC000826369777 607901902 /nfs/dbraw/zinc/90/19/02/607901902.db2.gz QBUSHQOSJQYPCB-UHFFFAOYSA-N -1 1 292.253 1.467 20 0 CDADMM Fc1ccccc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826378592 607988153 /nfs/dbraw/zinc/98/81/53/607988153.db2.gz RDUGTWFJXPSNTR-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM Fc1ccccc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826378592 607988154 /nfs/dbraw/zinc/98/81/54/607988154.db2.gz RDUGTWFJXPSNTR-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM Cc1ncsc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826331730 607990496 /nfs/dbraw/zinc/99/04/96/607990496.db2.gz WBFSUALGYPTNGO-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM C[C@@]1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCCO1 ZINC000824784487 607997387 /nfs/dbraw/zinc/99/73/87/607997387.db2.gz VCNOIDFMBWDULS-ZDUSSCGKSA-N -1 1 289.295 1.080 20 0 CDADMM CCC[C@H](C(=O)n1ncc(-c2nn[n-]n2)c1N)C(C)C ZINC000825225548 608119821 /nfs/dbraw/zinc/11/98/21/608119821.db2.gz VGURGHKFHSGOBJ-QMMMGPOBSA-N -1 1 277.332 1.358 20 0 CDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccco1 ZINC000826232364 608190206 /nfs/dbraw/zinc/19/02/06/608190206.db2.gz FQGCPBULQSRLAR-QMMMGPOBSA-N -1 1 285.263 1.773 20 0 CDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccco1 ZINC000826232364 608190207 /nfs/dbraw/zinc/19/02/07/608190207.db2.gz FQGCPBULQSRLAR-QMMMGPOBSA-N -1 1 285.263 1.773 20 0 CDADMM C[C@@H](c1ccc(F)cc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824764069 608392932 /nfs/dbraw/zinc/39/29/32/608392932.db2.gz SCFUBBWQNFRFAA-VIFPVBQESA-N -1 1 299.313 1.993 20 0 CDADMM C[C@@H](c1ccc(F)cc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824764069 608392935 /nfs/dbraw/zinc/39/29/35/608392935.db2.gz SCFUBBWQNFRFAA-VIFPVBQESA-N -1 1 299.313 1.993 20 0 CDADMM Fc1ccc2c(c1)CC[C@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826376322 608403826 /nfs/dbraw/zinc/40/38/26/608403826.db2.gz YBLRERPZXNIOMG-LLVKDONJSA-N -1 1 297.297 1.895 20 0 CDADMM Fc1ccc2c(c1)CC[C@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826376322 608403827 /nfs/dbraw/zinc/40/38/27/608403827.db2.gz YBLRERPZXNIOMG-LLVKDONJSA-N -1 1 297.297 1.895 20 0 CDADMM CCN(Cc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825435090 608406471 /nfs/dbraw/zinc/40/64/71/608406471.db2.gz LZTXAHAOUOFNNA-UHFFFAOYSA-N -1 1 295.350 1.992 20 0 CDADMM CCN(Cc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825435090 608406472 /nfs/dbraw/zinc/40/64/72/608406472.db2.gz LZTXAHAOUOFNNA-UHFFFAOYSA-N -1 1 295.350 1.992 20 0 CDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)Oc1ccccc1 ZINC000824426756 608417403 /nfs/dbraw/zinc/41/74/03/608417403.db2.gz HKHAKVYLPPZABE-SNVBAGLBSA-N -1 1 297.322 1.536 20 0 CDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)Oc1ccccc1 ZINC000824426756 608417405 /nfs/dbraw/zinc/41/74/05/608417405.db2.gz HKHAKVYLPPZABE-SNVBAGLBSA-N -1 1 297.322 1.536 20 0 CDADMM COC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC000826152347 608423149 /nfs/dbraw/zinc/42/31/49/608423149.db2.gz XDMSHAAEMMOZLJ-LBPRGKRZSA-N -1 1 297.322 1.456 20 0 CDADMM COC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC000826152347 608423150 /nfs/dbraw/zinc/42/31/50/608423150.db2.gz XDMSHAAEMMOZLJ-LBPRGKRZSA-N -1 1 297.322 1.456 20 0 CDADMM c1cc(N2CCC3(C2)CCCCC3)nnc1-c1nnn[n-]1 ZINC000826516680 608425353 /nfs/dbraw/zinc/42/53/53/608425353.db2.gz VWDNCRGPQOCTBZ-UHFFFAOYSA-N -1 1 285.355 1.817 20 0 CDADMM c1cc(N2CCC3(C2)CCCCC3)nnc1-c1nn[n-]n1 ZINC000826516680 608425354 /nfs/dbraw/zinc/42/53/54/608425354.db2.gz VWDNCRGPQOCTBZ-UHFFFAOYSA-N -1 1 285.355 1.817 20 0 CDADMM Cc1nc(CNc2ccc(-c3nnn[n-]3)nn2)sc1C ZINC000826326487 608426482 /nfs/dbraw/zinc/42/64/82/608426482.db2.gz RKAAICMMYVFXNQ-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Cc1nc(CNc2ccc(-c3nn[n-]n3)nn2)sc1C ZINC000826326487 608426483 /nfs/dbraw/zinc/42/64/83/608426483.db2.gz RKAAICMMYVFXNQ-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM c1n[nH]cc1[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000826526863 608429458 /nfs/dbraw/zinc/42/94/58/608429458.db2.gz PVAOXSRAOVQZBN-LLVKDONJSA-N -1 1 297.326 1.111 20 0 CDADMM c1n[nH]cc1[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000826526863 608429460 /nfs/dbraw/zinc/42/94/60/608429460.db2.gz PVAOXSRAOVQZBN-LLVKDONJSA-N -1 1 297.326 1.111 20 0 CDADMM C[C@@H]1CC(Nc2ccc(-c3nnn[n-]3)nn2)C[C@@H](C)O1 ZINC000824893963 608444656 /nfs/dbraw/zinc/44/46/56/608444656.db2.gz WBTDRAKMGINBDD-HTQZYQBOSA-N -1 1 275.316 1.025 20 0 CDADMM C[C@@H]1C[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CCO1 ZINC000824891936 608800133 /nfs/dbraw/zinc/80/01/33/608800133.db2.gz CNERLUWWXSNACX-SFYZADRCSA-N -1 1 294.746 1.895 20 0 CDADMM C[C@@H]1C[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CCO1 ZINC000824891936 608800136 /nfs/dbraw/zinc/80/01/36/608800136.db2.gz CNERLUWWXSNACX-SFYZADRCSA-N -1 1 294.746 1.895 20 0 CDADMM FC(F)Oc1cccc(Cn2ccnc2-c2nnn[n-]2)c1 ZINC000826370472 608892412 /nfs/dbraw/zinc/89/24/12/608892412.db2.gz UXFZXUGJDXRFIH-UHFFFAOYSA-N -1 1 292.249 1.713 20 0 CDADMM FC(F)Oc1cccc(Cn2ccnc2-c2nn[n-]n2)c1 ZINC000826370472 608892413 /nfs/dbraw/zinc/89/24/13/608892413.db2.gz UXFZXUGJDXRFIH-UHFFFAOYSA-N -1 1 292.249 1.713 20 0 CDADMM CC(C)(C)[C@@H](CO)Nc1cccc(-c2nnn[n-]2)n1 ZINC000824072013 609314433 /nfs/dbraw/zinc/31/44/33/609314433.db2.gz QQZXGPDJCDUFMC-SECBINFHSA-N -1 1 262.317 1.081 20 0 CDADMM CC(C)(C)[C@@H](CO)Nc1cccc(-c2nn[n-]n2)n1 ZINC000824072013 609314435 /nfs/dbraw/zinc/31/44/35/609314435.db2.gz QQZXGPDJCDUFMC-SECBINFHSA-N -1 1 262.317 1.081 20 0 CDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CCC(C)(C)C2)n1 ZINC000826357099 609393611 /nfs/dbraw/zinc/39/36/11/609393611.db2.gz QYQZZNJQZZRHRI-MRVPVSSYSA-N -1 1 289.343 1.365 20 0 CDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CCC(C)(C)C2)n1 ZINC000826357099 609393613 /nfs/dbraw/zinc/39/36/13/609393613.db2.gz QYQZZNJQZZRHRI-MRVPVSSYSA-N -1 1 289.343 1.365 20 0 CDADMM Fc1cccc(CCn2ccnc2-c2nnn[n-]2)c1F ZINC000826376694 609490660 /nfs/dbraw/zinc/49/06/60/609490660.db2.gz NXSDRUHFPOBBPY-UHFFFAOYSA-N -1 1 276.250 1.584 20 0 CDADMM Fc1cccc(CCn2ccnc2-c2nn[n-]n2)c1F ZINC000826376694 609490661 /nfs/dbraw/zinc/49/06/61/609490661.db2.gz NXSDRUHFPOBBPY-UHFFFAOYSA-N -1 1 276.250 1.584 20 0 CDADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@H](O)[C@H](F)C1 ZINC000890690383 617277803 /nfs/dbraw/zinc/27/78/03/617277803.db2.gz DTGXPCVEFQIGLB-RKDXNWHRSA-N -1 1 273.691 1.591 20 0 CDADMM CC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC000946377878 613754609 /nfs/dbraw/zinc/75/46/09/613754609.db2.gz AKSWJOYHUZBITI-NWDGAFQWSA-N -1 1 291.351 1.212 20 0 CDADMM CC(=O)N1CCC[C@@H](N(C)C(=O)c2ncccc2[O-])CC1 ZINC000967546661 613848589 /nfs/dbraw/zinc/84/85/89/613848589.db2.gz WWJUXJVAXGASID-GFCCVEGCSA-N -1 1 291.351 1.260 20 0 CDADMM CSc1cc(C)c(C(=O)OCc2nc(=O)n(C)[n-]2)o1 ZINC000853940196 617463594 /nfs/dbraw/zinc/46/35/94/617463594.db2.gz HAXBELQDNOTGKP-UHFFFAOYSA-N -1 1 283.309 1.089 20 0 CDADMM COCc1nc(N(C)[C@H](C)C(=O)NC(C)(C)C)cc(=O)[n-]1 ZINC000893257615 617496827 /nfs/dbraw/zinc/49/68/27/617496827.db2.gz SJERXFDKNWELOZ-SECBINFHSA-N -1 1 296.371 1.068 20 0 CDADMM COCC1(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CC1 ZINC000891616960 617506129 /nfs/dbraw/zinc/50/61/29/617506129.db2.gz CFHPTCHXZRKMAI-UHFFFAOYSA-N -1 1 277.324 1.426 20 0 CDADMM CCC(=O)N[C@H]1CCCCN(C(=O)c2ncccc2[O-])C1 ZINC000942998234 614981857 /nfs/dbraw/zinc/98/18/57/614981857.db2.gz IFPZEIAJWHRHOU-NSHDSACASA-N -1 1 291.351 1.308 20 0 CDADMM COCc1nc(NC[C@H](CCO)CC(C)C)cc(=O)[n-]1 ZINC000892752251 617703018 /nfs/dbraw/zinc/70/30/18/617703018.db2.gz CYSKDYMVOHYDJY-LLVKDONJSA-N -1 1 283.372 1.785 20 0 CDADMM CCN(C[C@H]1CCCO1)c1cc(=O)[n-]c(COC)n1 ZINC000891969750 617905938 /nfs/dbraw/zinc/90/59/38/617905938.db2.gz VRJSSXGRKQAZFJ-SNVBAGLBSA-N -1 1 267.329 1.334 20 0 CDADMM COCc1nc(N2CC[C@]3(C2)CCCOC3)cc(=O)[n-]1 ZINC000893742028 618008916 /nfs/dbraw/zinc/00/89/16/618008916.db2.gz ZGTJFMNUZCCVTM-AWEZNQCLSA-N -1 1 279.340 1.336 20 0 CDADMM COCc1nc(N[C@@H]2CCO[C@H](C(C)C)C2)cc(=O)[n-]1 ZINC000893096005 618162187 /nfs/dbraw/zinc/16/21/87/618162187.db2.gz ZNENBIDGRLKWKX-MNOVXSKESA-N -1 1 281.356 1.944 20 0 CDADMM CN(C)CC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC000910582372 618289571 /nfs/dbraw/zinc/28/95/71/618289571.db2.gz UEQSXHQLELAYBL-GFCCVEGCSA-N -1 1 290.319 1.106 20 0 CDADMM Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cn[n-]n2)cc1C ZINC000805605777 618361388 /nfs/dbraw/zinc/36/13/88/618361388.db2.gz PYOLJXHPYGJNOQ-SNVBAGLBSA-N -1 1 288.307 1.606 20 0 CDADMM O=C(c1ncc2ccccc2c1[O-])N1CC[C@H]1CO ZINC000889154762 620800703 /nfs/dbraw/zinc/80/07/03/620800703.db2.gz QBFYECVIGSMLAI-JTQLQIEISA-N -1 1 258.277 1.147 20 0 CDADMM CC(C)Cn1nccc1CN(CCC(=O)[O-])C1CC1 ZINC000901971976 618413149 /nfs/dbraw/zinc/41/31/49/618413149.db2.gz NIPMHCIDUVWMQX-UHFFFAOYSA-N -1 1 265.357 1.978 20 0 CDADMM Nc1c(F)cccc1CN1CCSC[C@H]1CC(=O)[O-] ZINC000901982995 618460717 /nfs/dbraw/zinc/46/07/17/618460717.db2.gz MRQBQLSMYUDSNP-SNVBAGLBSA-N -1 1 284.356 1.800 20 0 CDADMM CO[C@H]1CCN(Cc2ccsc2)[C@@H](C(=O)[O-])C1 ZINC000902030298 618475565 /nfs/dbraw/zinc/47/55/65/618475565.db2.gz BACGZRVRFIDRAP-WDEREUQCSA-N -1 1 255.339 1.812 20 0 CDADMM COCCN(CCOC)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902053729 618523827 /nfs/dbraw/zinc/52/38/27/618523827.db2.gz PFOOVRMOYHXLHU-AATRIKPKSA-N -1 1 283.324 1.472 20 0 CDADMM CO[C@@H]1CCN(Cc2cccs2)[C@@H](C(=O)[O-])C1 ZINC000902033902 618531637 /nfs/dbraw/zinc/53/16/37/618531637.db2.gz WSDFLAQQIARGKQ-MWLCHTKSSA-N -1 1 255.339 1.812 20 0 CDADMM C[C@@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000902117292 618597560 /nfs/dbraw/zinc/59/75/60/618597560.db2.gz UCLDEMQZKRRNKL-OTYXRUKQSA-N -1 1 277.324 1.295 20 0 CDADMM C[C@H]1CN(Cc2nnc3n2CCCCC3)C[C@@H]1C(=O)[O-] ZINC000828463436 618623127 /nfs/dbraw/zinc/62/31/27/618623127.db2.gz PLJLCQRZQSIKKC-QWRGUYRKSA-N -1 1 278.356 1.157 20 0 CDADMM COCc1nc(N2CC3(C[C@H]2C)CCOCC3)cc(=O)[n-]1 ZINC000894359727 618819737 /nfs/dbraw/zinc/81/97/37/618819737.db2.gz PNMAZUVRHCDRLX-LLVKDONJSA-N -1 1 293.367 1.724 20 0 CDADMM O=C(C(=O)N1CC[C@@H](CF)C1)c1ccc([O-])cc1 ZINC000881673730 619268982 /nfs/dbraw/zinc/26/89/82/619268982.db2.gz LTTBGEYAMVNZDQ-VIFPVBQESA-N -1 1 251.257 1.393 20 0 CDADMM Cc1nn[nH]c1C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000909450774 619322864 /nfs/dbraw/zinc/32/28/64/619322864.db2.gz NFDBDQMENNRJTO-UHFFFAOYSA-N -1 1 286.291 1.010 20 0 CDADMM CC[C@H](CO)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895662783 619786665 /nfs/dbraw/zinc/78/66/65/619786665.db2.gz MNPYGQBPRJZFQD-SNVBAGLBSA-N -1 1 275.304 1.752 20 0 CDADMM CC[C@@H]1C[C@H](OC(=O)c2ccc(C(=O)OC)[n-]2)CCO1 ZINC000797047062 620448449 /nfs/dbraw/zinc/44/84/49/620448449.db2.gz AADAZCHLYYHZRW-NXEZZACHSA-N -1 1 281.308 1.916 20 0 CDADMM CCOC(=O)NCCC(=O)[N-]Oc1ccc(F)cc1 ZINC000898571710 621797687 /nfs/dbraw/zinc/79/76/87/621797687.db2.gz LQLSOFLGMXQXDU-UHFFFAOYSA-N -1 1 270.260 1.372 20 0 CDADMM O=C(NCc1nc([O-])cc(=O)[nH]1)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000898754393 621865236 /nfs/dbraw/zinc/86/52/36/621865236.db2.gz HLUNTXBVPXCGHM-WKPIXPDZSA-N -1 1 297.314 1.090 20 0 CDADMM O=C(NCc1nc([O-])cc(=O)[nH]1)c1ccc2c(c1)CCCC2 ZINC000898754343 621865430 /nfs/dbraw/zinc/86/54/30/621865430.db2.gz USBAOKKJPXWFDD-UHFFFAOYSA-N -1 1 299.330 1.697 20 0 CDADMM CC(C)c1ccc(C(=O)NCc2nc([O-])cc(=O)[nH]2)cc1 ZINC000898754678 621865633 /nfs/dbraw/zinc/86/56/33/621865633.db2.gz YEBQQRBNQHCYSD-UHFFFAOYSA-N -1 1 287.319 1.941 20 0 CDADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCSCC1 ZINC000900236100 622819155 /nfs/dbraw/zinc/81/91/55/622819155.db2.gz GCXLAKZXDKEUBW-UHFFFAOYSA-N -1 1 265.338 1.249 20 0 CDADMM COc1ccncc1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900455408 623081317 /nfs/dbraw/zinc/08/13/17/623081317.db2.gz RNYVLWAXINDIOL-UHFFFAOYSA-N -1 1 286.291 1.716 20 0 CDADMM Cn1cccc1CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900904819 623637193 /nfs/dbraw/zinc/63/71/93/623637193.db2.gz UCYZZGVRWQDWPR-UHFFFAOYSA-N -1 1 272.308 1.328 20 0 CDADMM C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)NCCCC(=O)[O-] ZINC000901438189 624249576 /nfs/dbraw/zinc/24/95/76/624249576.db2.gz LXHHUTPVYMWKCD-UFBFGSQYSA-N -1 1 265.313 1.057 20 0 CDADMM Cc1nc2c(cccc2C(=O)N2CCC[C@H]2C(=O)[O-])[nH]1 ZINC000901444576 624255252 /nfs/dbraw/zinc/25/52/52/624255252.db2.gz YIJLNPAKUXGTAX-NSHDSACASA-N -1 1 273.292 1.561 20 0 CDADMM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccccc1 ZINC000901446657 624257567 /nfs/dbraw/zinc/25/75/67/624257567.db2.gz TVDDNZKJINERIT-UPJWGTAASA-N -1 1 299.330 1.845 20 0 CDADMM C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H](CC(=O)[O-])CC1 ZINC000901558993 624336164 /nfs/dbraw/zinc/33/61/64/624336164.db2.gz SIZWMYIEPCERKT-VXGBXAGGSA-N -1 1 293.367 1.692 20 0 CDADMM Cc1cnc(SCCNC(=O)C2CC2)[n-]c1=O ZINC000901569875 624354104 /nfs/dbraw/zinc/35/41/04/624354104.db2.gz GUPRJDRWPJEKMK-UHFFFAOYSA-N -1 1 253.327 1.109 20 0 CDADMM C[C@@H](CN(C)C(=O)c1cccc2[nH]cnc21)C(=O)[O-] ZINC000901646801 624388927 /nfs/dbraw/zinc/38/89/27/624388927.db2.gz JIXDCZHIZGNVIC-QMMMGPOBSA-N -1 1 261.281 1.356 20 0 CDADMM COC[C@](C)(CC(=O)[O-])NCc1nc2c(s1)CCCC2 ZINC000901794216 624454417 /nfs/dbraw/zinc/45/44/17/624454417.db2.gz SHESOEUVWZEOEO-AWEZNQCLSA-N -1 1 298.408 1.991 20 0 CDADMM C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NC(C)(C)C(=O)[O-] ZINC000902211485 624539379 /nfs/dbraw/zinc/53/93/79/624539379.db2.gz VOXWGTPOQIGCGW-XCBNKYQSSA-N -1 1 265.313 1.055 20 0 CDADMM COCC1(NCc2cc(C(=O)[O-])no2)CCCC1 ZINC000902264716 624598969 /nfs/dbraw/zinc/59/89/69/624598969.db2.gz OJNIEWNRIKHKPD-UHFFFAOYSA-N -1 1 254.286 1.422 20 0 CDADMM CCc1nc(CN2CCc3cc(C(=O)[O-])ccc3C2)n[nH]1 ZINC000903616586 626038194 /nfs/dbraw/zinc/03/81/94/626038194.db2.gz IXLIJEGKFWONFQ-UHFFFAOYSA-N -1 1 286.335 1.624 20 0 CDADMM Cc1cc(=O)[n-]c([C@@H](C)[N@@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)n1 ZINC000903629382 626043102 /nfs/dbraw/zinc/04/31/02/626043102.db2.gz CXTBVTIOOOYEKM-FBIMIBRVSA-N -1 1 279.340 1.594 20 0 CDADMM Cc1cc(=O)[n-]c([C@@H](C)[N@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)n1 ZINC000903629382 626043104 /nfs/dbraw/zinc/04/31/04/626043104.db2.gz CXTBVTIOOOYEKM-FBIMIBRVSA-N -1 1 279.340 1.594 20 0 CDADMM COc1cccc(S(=O)(=O)[N-]CC(F)(F)F)c1OC ZINC000903628692 626043309 /nfs/dbraw/zinc/04/33/09/626043309.db2.gz GWTUVCYUPHOLQX-UHFFFAOYSA-N -1 1 299.270 1.544 20 0 CDADMM Cc1c([C@@H](NCc2ccc(F)c(F)c2)C(=O)[O-])cnn1C ZINC000904049140 626185711 /nfs/dbraw/zinc/18/57/11/626185711.db2.gz WQPMSOBAOZUWKF-CYBMUJFWSA-N -1 1 295.289 1.922 20 0 CDADMM COCCN(CCC(=O)[O-])Cc1cccc(OC)c1F ZINC000904270033 626235529 /nfs/dbraw/zinc/23/55/29/626235529.db2.gz UYWMOQIWAZPXLH-UHFFFAOYSA-N -1 1 285.315 1.757 20 0 CDADMM C[C@H](CC(=O)[O-])CC(=O)NCc1cc(N(C)C)ccn1 ZINC000905129824 626645069 /nfs/dbraw/zinc/64/50/69/626645069.db2.gz WZCKHVPTWQXSOX-JTQLQIEISA-N -1 1 279.340 1.265 20 0 CDADMM O=C([O-])C(F)(F)CNS(=O)(=O)CCC1CCCC1 ZINC000906000463 627088007 /nfs/dbraw/zinc/08/80/07/627088007.db2.gz YRKGFMXXDJOENY-UHFFFAOYSA-N -1 1 285.312 1.206 20 0 CDADMM O=C(NCC[C@@H]1CCCCO1)c1cnc(C2CC2)[n-]c1=O ZINC000907273728 627578895 /nfs/dbraw/zinc/57/88/95/627578895.db2.gz RPPFNCFAGAEXCB-NSHDSACASA-N -1 1 291.351 1.749 20 0 CDADMM O=C(C1CCC=CCC1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907473031 627672455 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-1 1 255.314 1.284 20 0 CDADMM CCN(Cc1n[nH]c(C(C)(C)C)n1)C(C)(C)C(=O)[O-] ZINC001605461907 1163572141 /nfs/dbraw/zinc/57/21/41/1163572141.db2.gz POTKVXYVVUOLQE-UHFFFAOYSA-N -1 1 268.361 1.787 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)C2(C)CC2)n1 ZINC001605566254 1163610899 /nfs/dbraw/zinc/61/08/99/1163610899.db2.gz BVAYAOJWSOXONI-QMMMGPOBSA-N -1 1 259.317 1.566 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)C2(C)CC2)n1 ZINC001605566254 1163610905 /nfs/dbraw/zinc/61/09/05/1163610905.db2.gz BVAYAOJWSOXONI-QMMMGPOBSA-N -1 1 259.317 1.566 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCS[C@H](C)CC2)n1 ZINC001605563592 1163611917 /nfs/dbraw/zinc/61/19/17/1163611917.db2.gz BEDRIWOQSDWFIV-SECBINFHSA-N -1 1 291.384 1.297 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCS[C@H](C)CC2)n1 ZINC001605563592 1163611920 /nfs/dbraw/zinc/61/19/20/1163611920.db2.gz BEDRIWOQSDWFIV-SECBINFHSA-N -1 1 291.384 1.297 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(Nc2ccc(N(C)C)nc2)n1 ZINC001605584114 1163616581 /nfs/dbraw/zinc/61/65/81/1163616581.db2.gz NQOGIDMLDQPWLX-UHFFFAOYSA-N -1 1 297.326 1.170 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(Nc2ccc(N(C)C)nc2)n1 ZINC001605584114 1163616584 /nfs/dbraw/zinc/61/65/84/1163616584.db2.gz NQOGIDMLDQPWLX-UHFFFAOYSA-N -1 1 297.326 1.170 20 0 CDADMM Cc1cc(N[C@H](C)Cn2cccn2)nc(-c2nnn[n-]2)c1 ZINC001605717608 1163649940 /nfs/dbraw/zinc/64/99/40/1163649940.db2.gz LALJEEHTYMVZFR-SNVBAGLBSA-N -1 1 284.327 1.267 20 0 CDADMM Cc1cc(N[C@H](C)Cn2cccn2)nc(-c2nn[n-]n2)c1 ZINC001605717608 1163649945 /nfs/dbraw/zinc/64/99/45/1163649945.db2.gz LALJEEHTYMVZFR-SNVBAGLBSA-N -1 1 284.327 1.267 20 0 CDADMM Cc1ccc(CNCc2nc(-c3nnn[n-]3)cs2)cn1 ZINC001605855797 1163693229 /nfs/dbraw/zinc/69/32/29/1163693229.db2.gz AMILVTBPSHKPRO-UHFFFAOYSA-N -1 1 287.352 1.316 20 0 CDADMM Cc1ccc(CNCc2nc(-c3nn[n-]n3)cs2)cn1 ZINC001605855797 1163693232 /nfs/dbraw/zinc/69/32/32/1163693232.db2.gz AMILVTBPSHKPRO-UHFFFAOYSA-N -1 1 287.352 1.316 20 0 CDADMM Cc1ccc(N[C@@H](C)Cn2cccn2)c(-c2nnn[n-]2)n1 ZINC001605872294 1163699819 /nfs/dbraw/zinc/69/98/19/1163699819.db2.gz UUPTVCMPRPTRKQ-JTQLQIEISA-N -1 1 284.327 1.267 20 0 CDADMM Cc1ccc(N[C@@H](C)Cn2cccn2)c(-c2nn[n-]n2)n1 ZINC001605872294 1163699823 /nfs/dbraw/zinc/69/98/23/1163699823.db2.gz UUPTVCMPRPTRKQ-JTQLQIEISA-N -1 1 284.327 1.267 20 0 CDADMM CCc1onc(C)c1CN1CCC([C@H](O)C(=O)[O-])CC1 ZINC001605894612 1163710934 /nfs/dbraw/zinc/71/09/34/1163710934.db2.gz AOJFUFDNYVWZDP-ZDUSSCGKSA-N -1 1 282.340 1.203 20 0 CDADMM Cc1nc(S[C@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001606078506 1163766682 /nfs/dbraw/zinc/76/66/82/1163766682.db2.gz JNQYWDQMNXCZLA-QMMMGPOBSA-N -1 1 278.341 1.236 20 0 CDADMM Cc1nc(S[C@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001606078506 1163766688 /nfs/dbraw/zinc/76/66/88/1163766688.db2.gz JNQYWDQMNXCZLA-QMMMGPOBSA-N -1 1 278.341 1.236 20 0 CDADMM CN(CC1=CCSC1)[C@@H]1CCCN(CCC(=O)[O-])C1=O ZINC001606096768 1163771944 /nfs/dbraw/zinc/77/19/44/1163771944.db2.gz OFAUSITWDXIFPC-GFCCVEGCSA-N -1 1 298.408 1.057 20 0 CDADMM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001606147258 1163786958 /nfs/dbraw/zinc/78/69/58/1163786958.db2.gz FHXFIGKBPJEDMU-VHSXEESVSA-N -1 1 279.340 1.386 20 0 CDADMM CN(Cc1cnc[nH]1)Cc1ccc(C=CC(=O)[O-])o1 ZINC001606146328 1163787683 /nfs/dbraw/zinc/78/76/83/1163787683.db2.gz XMARULMVAVCECP-SNAWJCMRSA-N -1 1 261.281 1.733 20 0 CDADMM Cc1nsc(NC[C@H](O)C2CCC2)c1-c1nn[n-]n1 ZINC001606156959 1163791716 /nfs/dbraw/zinc/79/17/16/1163791716.db2.gz RQMPKYLYDFSFAR-QMMMGPOBSA-N -1 1 280.357 1.205 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc(-c2ccon2)no1 ZINC001606165579 1163793434 /nfs/dbraw/zinc/79/34/34/1163793434.db2.gz ZOFOFUDKCARGMG-UHFFFAOYSA-N -1 1 285.223 1.473 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc(-c2ccon2)no1 ZINC001606165579 1163793442 /nfs/dbraw/zinc/79/34/42/1163793442.db2.gz ZOFOFUDKCARGMG-UHFFFAOYSA-N -1 1 285.223 1.473 20 0 CDADMM Clc1nsc(N2CC[C@]23CCOC3)c1-c1nnn[n-]1 ZINC001606199083 1163805411 /nfs/dbraw/zinc/80/54/11/1163805411.db2.gz BZBULSPNBJADMF-SNVBAGLBSA-N -1 1 298.759 1.346 20 0 CDADMM Clc1nsc(N2CC[C@]23CCOC3)c1-c1nn[n-]n1 ZINC001606199083 1163805416 /nfs/dbraw/zinc/80/54/16/1163805416.db2.gz BZBULSPNBJADMF-SNVBAGLBSA-N -1 1 298.759 1.346 20 0 CDADMM FC1(F)[C@H]2CCN(c3ccnc(-c4nnn[n-]4)c3)C[C@H]21 ZINC001606300536 1163844670 /nfs/dbraw/zinc/84/46/70/1163844670.db2.gz IKXBKFRDCFZUCN-DTWKUNHWSA-N -1 1 278.266 1.353 20 0 CDADMM FC1(F)[C@H]2CCN(c3ccnc(-c4nn[n-]n4)c3)C[C@H]21 ZINC001606300536 1163844678 /nfs/dbraw/zinc/84/46/78/1163844678.db2.gz IKXBKFRDCFZUCN-DTWKUNHWSA-N -1 1 278.266 1.353 20 0 CDADMM COC(=O)c1cncc(CN2CCC[C@@H]3C[C@@]32C(=O)[O-])c1 ZINC001606628578 1163941350 /nfs/dbraw/zinc/94/13/50/1163941350.db2.gz RDCFZWQGCPVVHA-DOMZBBRYSA-N -1 1 290.319 1.307 20 0 CDADMM O=C(NC1(C2CCC2)CC1)c1coc(-c2nnn[n-]2)c1 ZINC001606640449 1163944481 /nfs/dbraw/zinc/94/44/81/1163944481.db2.gz CMUQMYDZQGYZPP-UHFFFAOYSA-N -1 1 273.296 1.522 20 0 CDADMM O=C(NC1(C2CCC2)CC1)c1coc(-c2nn[n-]n2)c1 ZINC001606640449 1163944486 /nfs/dbraw/zinc/94/44/86/1163944486.db2.gz CMUQMYDZQGYZPP-UHFFFAOYSA-N -1 1 273.296 1.522 20 0 CDADMM O=C(N[C@H]1CC12CC2)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606653452 1163948116 /nfs/dbraw/zinc/94/81/16/1163948116.db2.gz KIDCZFABPIEAKR-VIFPVBQESA-N -1 1 291.261 1.427 20 0 CDADMM O=C(N[C@H]1CC12CC2)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606653452 1163948122 /nfs/dbraw/zinc/94/81/22/1163948122.db2.gz KIDCZFABPIEAKR-VIFPVBQESA-N -1 1 291.261 1.427 20 0 CDADMM CO[C@H](C)c1noc(CN2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)n1 ZINC001606665394 1163952914 /nfs/dbraw/zinc/95/29/14/1163952914.db2.gz MSUHTMAHXCAFIA-BFVZDQMLSA-N -1 1 295.339 1.464 20 0 CDADMM COC(CN1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C)OC ZINC001606673132 1163955916 /nfs/dbraw/zinc/95/59/16/1163955916.db2.gz APKBUWLJSMAFIQ-GFCCVEGCSA-N -1 1 296.367 1.869 20 0 CDADMM O=C(NCC1CC=CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606722113 1163971383 /nfs/dbraw/zinc/97/13/83/1163971383.db2.gz GMHWYRBWVRCCJA-UHFFFAOYSA-N -1 1 287.298 1.702 20 0 CDADMM O=C(NCC1CC=CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606722113 1163971384 /nfs/dbraw/zinc/97/13/84/1163971384.db2.gz GMHWYRBWVRCCJA-UHFFFAOYSA-N -1 1 287.298 1.702 20 0 CDADMM O=C(NC[C@H]1CCCC12CC2)c1cccc(-c2nnn[n-]2)n1 ZINC001606726845 1163972448 /nfs/dbraw/zinc/97/24/48/1163972448.db2.gz JTERJJMTJOIRJV-SNVBAGLBSA-N -1 1 298.350 1.572 20 0 CDADMM O=C(NC[C@H]1CCCC12CC2)c1cccc(-c2nn[n-]n2)n1 ZINC001606726845 1163972456 /nfs/dbraw/zinc/97/24/56/1163972456.db2.gz JTERJJMTJOIRJV-SNVBAGLBSA-N -1 1 298.350 1.572 20 0 CDADMM O=C(Nc1cccc(CCO)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001606934891 1164033855 /nfs/dbraw/zinc/03/38/55/1164033855.db2.gz MCIGKGRZYCVKCI-UHFFFAOYSA-N -1 1 299.290 1.247 20 0 CDADMM O[C@@]1(C2CC2)CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001607098712 1164081995 /nfs/dbraw/zinc/08/19/95/1164081995.db2.gz UOPWYRMSZVYIQN-AWEZNQCLSA-N -1 1 286.339 1.003 20 0 CDADMM O[C@@]1(C2CC2)CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001607098712 1164082003 /nfs/dbraw/zinc/08/20/03/1164082003.db2.gz UOPWYRMSZVYIQN-AWEZNQCLSA-N -1 1 286.339 1.003 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3CCC[C@@H]32)c1 ZINC001607116988 1164099503 /nfs/dbraw/zinc/09/95/03/1164099503.db2.gz XQQSWZHHPZPZDC-ONGXEEELSA-N -1 1 256.313 1.641 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3CCC[C@@H]32)c1 ZINC001607116988 1164099509 /nfs/dbraw/zinc/09/95/09/1164099509.db2.gz XQQSWZHHPZPZDC-ONGXEEELSA-N -1 1 256.313 1.641 20 0 CDADMM c1cc(N2C[C@@H]3CCCC[C@@H]3C2)nc(-c2nn[n-]n2)n1 ZINC001607119333 1164100749 /nfs/dbraw/zinc/10/07/49/1164100749.db2.gz BGCRAUUWQFNNGR-AOOOYVTPSA-N -1 1 271.328 1.283 20 0 CDADMM c1cc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)no1 ZINC001607119055 1164102170 /nfs/dbraw/zinc/10/21/70/1164102170.db2.gz IOXQEJCRQSKSIW-UHFFFAOYSA-N -1 1 272.272 1.067 20 0 CDADMM c1cc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)no1 ZINC001607119055 1164102175 /nfs/dbraw/zinc/10/21/75/1164102175.db2.gz IOXQEJCRQSKSIW-UHFFFAOYSA-N -1 1 272.272 1.067 20 0 CDADMM c1c(-c2nn[n-]n2)nnn1Cc1cccc2ncccc12 ZINC001607120153 1164104210 /nfs/dbraw/zinc/10/42/10/1164104210.db2.gz OHUVVWDBHKZXCB-UHFFFAOYSA-N -1 1 278.279 1.055 20 0 CDADMM c1ccc(CCCNc2cc(-c3nnn[n-]3)ncn2)nc1 ZINC001607128732 1164110520 /nfs/dbraw/zinc/11/05/20/1164110520.db2.gz RTOWGQAGTPCXPE-UHFFFAOYSA-N -1 1 282.311 1.096 20 0 CDADMM c1ccc(CCCNc2cc(-c3nn[n-]n3)ncn2)nc1 ZINC001607128732 1164110526 /nfs/dbraw/zinc/11/05/26/1164110526.db2.gz RTOWGQAGTPCXPE-UHFFFAOYSA-N -1 1 282.311 1.096 20 0 CDADMM c1nn(C2CCC2)cc1Nc1nccnc1-c1nnn[n-]1 ZINC001607134341 1164114895 /nfs/dbraw/zinc/11/48/95/1164114895.db2.gz YZCKEPUGMAIJNG-UHFFFAOYSA-N -1 1 283.299 1.322 20 0 CDADMM c1nn(C2CCC2)cc1Nc1nccnc1-c1nn[n-]n1 ZINC001607134341 1164114898 /nfs/dbraw/zinc/11/48/98/1164114898.db2.gz YZCKEPUGMAIJNG-UHFFFAOYSA-N -1 1 283.299 1.322 20 0 CDADMM c1cnc2cc(Oc3cnc(-c4nnn[n-]4)cn3)ccc2c1 ZINC001607136279 1164115989 /nfs/dbraw/zinc/11/59/89/1164115989.db2.gz VBUXHZMQCSZKPO-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1cnc2cc(Oc3cnc(-c4nn[n-]n4)cn3)ccc2c1 ZINC001607136279 1164115990 /nfs/dbraw/zinc/11/59/90/1164115990.db2.gz VBUXHZMQCSZKPO-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1cc(CNc2cc(-c3nnn[n-]3)ncn2)cc2c1COC2 ZINC001607137317 1164116635 /nfs/dbraw/zinc/11/66/35/1164116635.db2.gz PFPOUOVIKAGGFM-UHFFFAOYSA-N -1 1 295.306 1.299 20 0 CDADMM c1cc(CNc2cc(-c3nn[n-]n3)ncn2)cc2c1COC2 ZINC001607137317 1164116639 /nfs/dbraw/zinc/11/66/39/1164116639.db2.gz PFPOUOVIKAGGFM-UHFFFAOYSA-N -1 1 295.306 1.299 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NC[C@@H]1CC2(CCC2)CO1 ZINC001607139109 1164120622 /nfs/dbraw/zinc/12/06/22/1164120622.db2.gz WERNTZJCWVIRTL-VIFPVBQESA-N -1 1 287.327 1.028 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NC[C@@H]1CC2(CCC2)CO1 ZINC001607139109 1164120627 /nfs/dbraw/zinc/12/06/27/1164120627.db2.gz WERNTZJCWVIRTL-VIFPVBQESA-N -1 1 287.327 1.028 20 0 CDADMM C[C@@H]1CC[C@H](CO)N1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001607429082 1164177541 /nfs/dbraw/zinc/17/75/41/1164177541.db2.gz VGLQHRPVXUUUKM-MWLCHTKSSA-N -1 1 289.335 1.606 20 0 CDADMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ccc2[nH]nnc2c1 ZINC001607492012 1164204449 /nfs/dbraw/zinc/20/44/49/1164204449.db2.gz APNUFCMRVJKRPH-UHFFFAOYSA-N -1 1 299.290 1.853 20 0 CDADMM Cc1cc(CN2CCC[C@@H]3COC[C@@H]32)[nH]c1C(=O)[O-] ZINC001607640991 1164251838 /nfs/dbraw/zinc/25/18/38/1164251838.db2.gz JFIUCBGXXPRZRJ-PWSUYJOCSA-N -1 1 264.325 1.632 20 0 CDADMM Cc1cc(NC(=O)CN(C)C(C)C)nc(C)c1C(=O)[O-] ZINC001607678654 1164266271 /nfs/dbraw/zinc/26/62/71/1164266271.db2.gz VUDLWIFPDKNXBV-UHFFFAOYSA-N -1 1 279.340 1.675 20 0 CDADMM Cc1ccc2cc[nH+]c(N(CCC(=O)[O-])CC(=O)[O-])c2c1 ZINC001607833831 1164307281 /nfs/dbraw/zinc/30/72/81/1164307281.db2.gz BDBYISIGLRFNDJ-UHFFFAOYSA-N -1 1 288.303 1.909 20 0 CDADMM Cc1cccnc1CN1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001607888144 1164322215 /nfs/dbraw/zinc/32/22/15/1164322215.db2.gz BTGRXESZOYLSGQ-NSHDSACASA-N -1 1 287.323 1.127 20 0 CDADMM Cc1nc(CC(=O)NC[C@H](CC2CCCC2)C(=O)[O-])n[nH]1 ZINC001607937552 1164344573 /nfs/dbraw/zinc/34/45/73/1164344573.db2.gz ZLVJQOWLBSGCAI-NSHDSACASA-N -1 1 294.355 1.053 20 0 CDADMM Cc1nnc(CN[C@]2(C)CCCC[C@@H]2C(=O)[O-])o1 ZINC001608016620 1164377559 /nfs/dbraw/zinc/37/75/59/1164377559.db2.gz QVMHNRJDDXZNKQ-BXKDBHETSA-N -1 1 253.302 1.501 20 0 CDADMM Cc1nnc(CN[C@](C)(CCF)C(=O)[O-])n1C1CC1 ZINC001608016812 1164377849 /nfs/dbraw/zinc/37/78/49/1164377849.db2.gz XCJRZNWIHMBWMP-GFCCVEGCSA-N -1 1 270.308 1.214 20 0 CDADMM Cn1c(CN[C@@H]2C[C@H](O)c3ccccc32)ccc1C(=O)[O-] ZINC001608104909 1164410088 /nfs/dbraw/zinc/41/00/88/1164410088.db2.gz SKCJWMCQPZAGBB-HIFRSBDPSA-N -1 1 286.331 1.991 20 0 CDADMM Cn1nncc1C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC001608167407 1164431912 /nfs/dbraw/zinc/43/19/12/1164431912.db2.gz FABMVXAOAZMJJM-AVGNSLFASA-N -1 1 278.356 1.280 20 0 CDADMM Cn1nncc1CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC001608167407 1164431919 /nfs/dbraw/zinc/43/19/19/1164431919.db2.gz FABMVXAOAZMJJM-AVGNSLFASA-N -1 1 278.356 1.280 20 0 CDADMM NCc1nccnc1NCc1ccc(CC(=O)[O-])cc1 ZINC001608258891 1164472045 /nfs/dbraw/zinc/47/20/45/1164472045.db2.gz SYHKBKYFFGZVBQ-UHFFFAOYSA-N -1 1 272.308 1.175 20 0 CDADMM NCc1nccnc1NCC1(C(=O)[O-])CCCCC1 ZINC001608258868 1164472277 /nfs/dbraw/zinc/47/22/77/1164472277.db2.gz SHXKPJULZWIXHI-UHFFFAOYSA-N -1 1 264.329 1.382 20 0 CDADMM NCc1nccnc1N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001608259195 1164473299 /nfs/dbraw/zinc/47/32/99/1164473299.db2.gz XVNJEYJDERWQMC-INIZCTEOSA-N -1 1 298.346 1.168 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)c3cncnc3)[nH]c21 ZINC001608525623 1164532481 /nfs/dbraw/zinc/53/24/81/1164532481.db2.gz CQAYBTVRCRFZJD-UHFFFAOYSA-N -1 1 283.247 1.303 20 0 CDADMM O=C([O-])C1=NO[C@@]2(CCN(Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001608590093 1164559969 /nfs/dbraw/zinc/55/99/69/1164559969.db2.gz WLLQQSQPPXUTNB-INIZCTEOSA-N -1 1 299.330 1.973 20 0 CDADMM O=C([O-])Cc1nc(NC(=O)c2ccc(O)c(Cl)c2)n[nH]1 ZINC001608793516 1164639434 /nfs/dbraw/zinc/63/94/34/1164639434.db2.gz ZDMRQJHTCWXTCU-UHFFFAOYSA-N -1 1 296.670 1.043 20 0 CDADMM O=C([O-])c1ccc(Cl)c(CN2C[C@@H](CO)[C@H](CO)C2)c1 ZINC001608892416 1164678583 /nfs/dbraw/zinc/67/85/83/1164678583.db2.gz OTOGCCUDEMSEFN-RYUDHWBXSA-N -1 1 299.754 1.071 20 0 CDADMM CC(C)C[C@@H]1C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001609097660 1164770207 /nfs/dbraw/zinc/77/02/07/1164770207.db2.gz MGIYZWVUXQCSMF-RKDXNWHRSA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)C[C@@H]1C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001609097660 1164770214 /nfs/dbraw/zinc/77/02/14/1164770214.db2.gz MGIYZWVUXQCSMF-RKDXNWHRSA-N -1 1 259.317 1.503 20 0 CDADMM C[C@@H](Cc1ccco1)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609115891 1164776048 /nfs/dbraw/zinc/77/60/48/1164776048.db2.gz PCCXGJZCQVSGHR-QMMMGPOBSA-N -1 1 287.279 1.414 20 0 CDADMM C[C@@H](Cc1ccco1)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609115891 1164776057 /nfs/dbraw/zinc/77/60/57/1164776057.db2.gz PCCXGJZCQVSGHR-QMMMGPOBSA-N -1 1 287.279 1.414 20 0 CDADMM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)o1)CC(F)F ZINC001609113254 1164776222 /nfs/dbraw/zinc/77/62/22/1164776222.db2.gz KTGYJVGVZGNDNW-LURJTMIESA-N -1 1 285.254 1.481 20 0 CDADMM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)o1)CC(F)F ZINC001609113254 1164776226 /nfs/dbraw/zinc/77/62/26/1164776226.db2.gz KTGYJVGVZGNDNW-LURJTMIESA-N -1 1 285.254 1.481 20 0 CDADMM C[C@H](CNc1ccnc(-c2nnn[n-]2)c1)CC(F)F ZINC001609113645 1164776942 /nfs/dbraw/zinc/77/69/42/1164776942.db2.gz ATIQGTWZDPINNJ-ZETCQYMHSA-N -1 1 268.271 1.387 20 0 CDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)c1)CC(F)F ZINC001609113645 1164776947 /nfs/dbraw/zinc/77/69/47/1164776947.db2.gz ATIQGTWZDPINNJ-ZETCQYMHSA-N -1 1 268.271 1.387 20 0 CDADMM C[C@@]1(CNc2cccnc2-c2nnn[n-]2)CCCS1 ZINC001609149777 1164795632 /nfs/dbraw/zinc/79/56/32/1164795632.db2.gz ZSSNOGFBCLKMRZ-LBPRGKRZSA-N -1 1 276.369 1.959 20 0 CDADMM C[C@@H]1Oc2ccccc2[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001609178811 1164820388 /nfs/dbraw/zinc/82/03/88/1164820388.db2.gz FFGDVWDCTFSGHC-ISVAXAHUSA-N -1 1 295.306 1.591 20 0 CDADMM C[C@@H]1Oc2ccccc2[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001609178811 1164820392 /nfs/dbraw/zinc/82/03/92/1164820392.db2.gz FFGDVWDCTFSGHC-ISVAXAHUSA-N -1 1 295.306 1.591 20 0 CDADMM CC=CC=CC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001609180997 1164821152 /nfs/dbraw/zinc/82/11/52/1164821152.db2.gz SZOXMKKXNVZTGX-VNKDHWASSA-N -1 1 276.325 1.702 20 0 CDADMM CC=CC=CC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001609180997 1164821159 /nfs/dbraw/zinc/82/11/59/1164821159.db2.gz SZOXMKKXNVZTGX-VNKDHWASSA-N -1 1 276.325 1.702 20 0 CDADMM CO[C@H]1CN(c2cccnc2-c2nnn[n-]2)CC[C@@H]1C ZINC001609315773 1164892770 /nfs/dbraw/zinc/89/27/70/1164892770.db2.gz SRXBBPQPYRDPMG-ONGXEEELSA-N -1 1 274.328 1.123 20 0 CDADMM CO[C@H]1CN(c2cccnc2-c2nn[n-]n2)CC[C@@H]1C ZINC001609315773 1164892778 /nfs/dbraw/zinc/89/27/78/1164892778.db2.gz SRXBBPQPYRDPMG-ONGXEEELSA-N -1 1 274.328 1.123 20 0 CDADMM COC[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001609320173 1164896992 /nfs/dbraw/zinc/89/69/92/1164896992.db2.gz ZRXCPFVIUNAOEL-NSHDSACASA-N -1 1 288.355 1.515 20 0 CDADMM COC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001609320173 1164896999 /nfs/dbraw/zinc/89/69/99/1164896999.db2.gz ZRXCPFVIUNAOEL-NSHDSACASA-N -1 1 288.355 1.515 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCCCOC(F)F)n1 ZINC001609392030 1164926528 /nfs/dbraw/zinc/92/65/28/1164926528.db2.gz DRAKAEYFFUQTNJ-UHFFFAOYSA-N -1 1 285.258 1.006 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCCCOC(F)F)n1 ZINC001609392030 1164926549 /nfs/dbraw/zinc/92/65/49/1164926549.db2.gz DRAKAEYFFUQTNJ-UHFFFAOYSA-N -1 1 285.258 1.006 20 0 CDADMM Cc1cc(N(C)[C@@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001609404243 1164932661 /nfs/dbraw/zinc/93/26/61/1164932661.db2.gz LPXKUXXDGJUDCP-SNVBAGLBSA-N -1 1 274.328 1.185 20 0 CDADMM Cc1cc(N(C)[C@@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001609404243 1164932667 /nfs/dbraw/zinc/93/26/67/1164932667.db2.gz LPXKUXXDGJUDCP-SNVBAGLBSA-N -1 1 274.328 1.185 20 0 CDADMM Cc1ncc(NC(=O)c2cccc(-c3nnn[n-]3)n2)s1 ZINC001609456015 1164959038 /nfs/dbraw/zinc/95/90/38/1164959038.db2.gz XDMMRKSEHYPULX-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1ncc(NC(=O)c2cccc(-c3nn[n-]n3)n2)s1 ZINC001609456015 1164959045 /nfs/dbraw/zinc/95/90/45/1164959045.db2.gz XDMMRKSEHYPULX-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1nsc(N2CCCO[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001609464466 1164962473 /nfs/dbraw/zinc/96/24/73/1164962473.db2.gz UPWHZGCEQXXXHM-ZETCQYMHSA-N -1 1 280.357 1.247 20 0 CDADMM Fc1ccccc1CCNc1cc(-c2nnn[n-]2)ncn1 ZINC001609492193 1164975145 /nfs/dbraw/zinc/97/51/45/1164975145.db2.gz KQFRDXQUNMDNQC-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM Fc1ccccc1CCNc1cc(-c2nn[n-]n2)ncn1 ZINC001609492193 1164975150 /nfs/dbraw/zinc/97/51/50/1164975150.db2.gz KQFRDXQUNMDNQC-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM Fc1ccc2c(c1)[C@@H](Nc1cc(-c3nnn[n-]3)ncn1)CC2 ZINC001609491658 1164976501 /nfs/dbraw/zinc/97/65/01/1164976501.db2.gz XWKZOZOOTPBZDG-NSHDSACASA-N -1 1 297.297 1.895 20 0 CDADMM Fc1ccc2c(c1)[C@@H](Nc1cc(-c3nn[n-]n3)ncn1)CC2 ZINC001609491658 1164976509 /nfs/dbraw/zinc/97/65/09/1164976509.db2.gz XWKZOZOOTPBZDG-NSHDSACASA-N -1 1 297.297 1.895 20 0 CDADMM O=C(NCc1ccsc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609557035 1164986341 /nfs/dbraw/zinc/98/63/41/1164986341.db2.gz NAEZQLUDVSHXOH-UHFFFAOYSA-N -1 1 286.320 1.253 20 0 CDADMM O=C(NCc1ccsc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609557035 1164986347 /nfs/dbraw/zinc/98/63/47/1164986347.db2.gz NAEZQLUDVSHXOH-UHFFFAOYSA-N -1 1 286.320 1.253 20 0 CDADMM O=C(OC[C@H]1CC=CCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001609573892 1164994407 /nfs/dbraw/zinc/99/44/07/1164994407.db2.gz VQULBQBDRCVPPW-JTQLQIEISA-N -1 1 285.307 1.775 20 0 CDADMM O=C(OC[C@H]1CC=CCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001609573892 1164994415 /nfs/dbraw/zinc/99/44/15/1164994415.db2.gz VQULBQBDRCVPPW-JTQLQIEISA-N -1 1 285.307 1.775 20 0 CDADMM c1cc(NCC2CCCCC2)nc(-c2nn[n-]n2)n1 ZINC001609614791 1165010005 /nfs/dbraw/zinc/01/00/05/1165010005.db2.gz MXMNGSIMDDOULH-UHFFFAOYSA-N -1 1 259.317 1.071 20 0 CDADMM C[C@H](N[C@H](C(=O)[O-])C1CC1)C(=O)NCCC1=CCCCC1 ZINC001609773661 1165074648 /nfs/dbraw/zinc/07/46/48/1165074648.db2.gz HPAANILYGAUMKE-FZMZJTMJSA-N -1 1 294.395 1.834 20 0 CDADMM C[C@H](O)CCN1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001609788302 1165081659 /nfs/dbraw/zinc/08/16/59/1165081659.db2.gz WELYHOYDAXMWFX-JTQLQIEISA-N -1 1 284.381 1.339 20 0 CDADMM C[C@H]1[C@H](C(=O)[O-])CCN1Cn1c(=O)oc2ccccc21 ZINC001609833620 1165103527 /nfs/dbraw/zinc/10/35/27/1165103527.db2.gz LMRHWIUTCIKEBY-VHSXEESVSA-N -1 1 276.292 1.347 20 0 CDADMM Cc1cc(C[C@H](C)NC(=O)c2ccoc2CC(=O)[O-])n[nH]1 ZINC001610459805 1165321959 /nfs/dbraw/zinc/32/19/59/1165321959.db2.gz WLXXPZFDFUBLKH-QMMMGPOBSA-N -1 1 291.307 1.299 20 0 CDADMM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCc2n[nH]nc2C1 ZINC001610725368 1165416923 /nfs/dbraw/zinc/41/69/23/1165416923.db2.gz KRBUKHSTUOAVJT-GFCCVEGCSA-N -1 1 276.271 1.128 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1cnc(-c2ccccc2)[nH]1 ZINC001610737368 1165423810 /nfs/dbraw/zinc/42/38/10/1165423810.db2.gz PMQXOFHJNDVVSA-OLZOCXBDSA-N -1 1 287.319 1.097 20 0 CDADMM O=C([O-])c1coc(CN2CCC[C@@H](n3ccnn3)C2)c1 ZINC001610867498 1165467486 /nfs/dbraw/zinc/46/74/86/1165467486.db2.gz KLFVTSOJMKNMDB-LLVKDONJSA-N -1 1 276.296 1.406 20 0 CDADMM O=C(Nc1ccc(-n2nccn2)nc1)c1cccc([O-])c1F ZINC001625072216 1165885586 /nfs/dbraw/zinc/88/55/86/1165885586.db2.gz QMNQNGAMJQBUAC-UHFFFAOYSA-N -1 1 299.265 1.759 20 0 CDADMM O=C(NCc1nn[n-]n1)c1ccnc2cc(Cl)ccc21 ZINC001626985086 1165971520 /nfs/dbraw/zinc/97/15/20/1165971520.db2.gz QCKSEONDPMZDPJ-UHFFFAOYSA-N -1 1 288.698 1.331 20 0 CDADMM Cn1c(Cl)cnc1CNC(=O)c1ccc([O-])cn1 ZINC001628478992 1166077167 /nfs/dbraw/zinc/07/71/67/1166077167.db2.gz VFOZHDWEYAYDMR-UHFFFAOYSA-N -1 1 266.688 1.104 20 0 CDADMM CC1N=NC(C(=O)Nc2ccn(-c3ccncc3)n2)=C1[O-] ZINC001629356214 1166133599 /nfs/dbraw/zinc/13/35/99/1166133599.db2.gz AKJRURMZPMQSFS-UHFFFAOYSA-N -1 1 284.279 1.257 20 0 CDADMM c1ccc(Sc2nnccc2-c2nn[n-]n2)cc1 ZINC000095168971 1166603409 /nfs/dbraw/zinc/60/34/09/1166603409.db2.gz KGBREZOPKMOZAM-UHFFFAOYSA-N -1 1 256.294 1.808 20 0 CDADMM COc1ccc(C(=O)Nc2cccc3n[nH]nc32)c([O-])c1 ZINC001637131958 1166728444 /nfs/dbraw/zinc/72/84/44/1166728444.db2.gz SPWVCMVXSSJVKS-UHFFFAOYSA-N -1 1 284.275 1.924 20 0 CDADMM Cc1cn2ccc(C(=O)Nc3c(C)[n-][nH]c3=O)cc2n1 ZINC001637958637 1166807080 /nfs/dbraw/zinc/80/70/80/1166807080.db2.gz YWPNSSWHBSXXGJ-UHFFFAOYSA-N -1 1 271.280 1.632 20 0 CDADMM O=C(NCc1cc(=O)cc[nH]1)c1ccc([O-])c(F)c1 ZINC001638603902 1166858851 /nfs/dbraw/zinc/85/88/51/1166858851.db2.gz WMVMSTMPAUFHKD-UHFFFAOYSA-N -1 1 262.240 1.150 20 0 CDADMM Cn1cnnc1CCNC(=O)c1c([O-])cccc1Cl ZINC001645648525 1167450076 /nfs/dbraw/zinc/45/00/76/1167450076.db2.gz FZPMEXYFLCSBEE-UHFFFAOYSA-N -1 1 280.715 1.147 20 0 CDADMM Cc1cccc(C)c1OCCC(=O)N(C)c1nn[n-]n1 ZINC001646203166 1167693795 /nfs/dbraw/zinc/69/37/95/1167693795.db2.gz GFPYDKSAHONKSD-UHFFFAOYSA-N -1 1 275.312 1.248 20 0 CDADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ccns1 ZINC001454254170 1167734259 /nfs/dbraw/zinc/73/42/59/1167734259.db2.gz IOHJHTOWTFHFPL-JTQLQIEISA-N -1 1 286.320 1.176 20 0 CDADMM CC/C=C/CCN1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC001609952600 1167978037 /nfs/dbraw/zinc/97/80/37/1167978037.db2.gz UFWATIRTMNJIQE-RUULKOMLSA-N -1 1 269.341 1.681 20 0 CDADMM CCc1nc(CN2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)n[nH]1 ZINC001610071368 1167986199 /nfs/dbraw/zinc/98/61/99/1167986199.db2.gz GODDRXJNCWNATH-SNVBAGLBSA-N -1 1 292.261 1.206 20 0 CDADMM CCCCc1noc([C@@H](C)S(=O)(=O)c2n[n-]c(C)n2)n1 ZINC001647076345 1168360637 /nfs/dbraw/zinc/36/06/37/1168360637.db2.gz KMDFBRHJVCOFFX-SSDOTTSWSA-N -1 1 299.356 1.374 20 0 CDADMM O=C1C[C@@H](CNc2cc(Cl)[n-]c(=O)n2)CN1C1CC1 ZINC001647316063 1168554158 /nfs/dbraw/zinc/55/41/58/1168554158.db2.gz VKNCHLJUCFNEJL-ZETCQYMHSA-N -1 1 282.731 1.258 20 0 CDADMM CC[C@@H]1C[C@H]1C(=O)N1CC[C@H](c2[nH]ncc2C(=O)[O-])C1 ZINC001573814336 1170784108 /nfs/dbraw/zinc/78/41/08/1170784108.db2.gz JXZNIMKYCRNLFO-KXUCPTDWSA-N -1 1 277.324 1.470 20 0 CDADMM CO[C@H]1CCC[N@@H+](Cc2cnc3c(C(=O)[O-])cnn3c2)C1 ZINC001573956434 1170840154 /nfs/dbraw/zinc/84/01/54/1170840154.db2.gz CJJUFTZDCNOPCJ-NSHDSACASA-N -1 1 290.323 1.038 20 0 CDADMM CO[C@H]1CCCN(Cc2cnc3c(C(=O)[O-])cnn3c2)C1 ZINC001573956434 1170840165 /nfs/dbraw/zinc/84/01/65/1170840165.db2.gz CJJUFTZDCNOPCJ-NSHDSACASA-N -1 1 290.323 1.038 20 0 CDADMM Cc1ocnc1C(=O)N1CC[C@@H](c2[nH]ncc2C(=O)[O-])C1 ZINC001574207852 1170919040 /nfs/dbraw/zinc/91/90/40/1170919040.db2.gz DUVQYAOFVBKPAD-MRVPVSSYSA-N -1 1 290.279 1.034 20 0 CDADMM Cn1cc(Cl)c(CN[C@@H](C[C@@H]2CCCO2)C(=O)[O-])n1 ZINC001574213607 1170922842 /nfs/dbraw/zinc/92/28/42/1170922842.db2.gz NLEGDVIOOFVKKI-WPRPVWTQSA-N -1 1 287.747 1.185 20 0 CDADMM O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)c1cccc2c[nH]nc21 ZINC001574398804 1170970721 /nfs/dbraw/zinc/97/07/21/1170970721.db2.gz JUXSDSPIXYHPNK-PLMOITTCSA-N -1 1 285.303 1.641 20 0 CDADMM Cc1ccc(O[C@H](C)C(=O)Nc2c[n-][nH]c2=O)cc1 ZINC001654600232 1171621543 /nfs/dbraw/zinc/62/15/43/1171621543.db2.gz VRBUOIBADPPZTO-SECBINFHSA-N -1 1 261.281 1.830 20 0 CDADMM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)Nc2c[n-][nH]c2=O)C1 ZINC001654603179 1171624342 /nfs/dbraw/zinc/62/43/42/1171624342.db2.gz CJSNTRMHEWLGDC-SVRRBLITSA-N -1 1 261.285 1.143 20 0 CDADMM Cc1cc(CNC(=O)c2coc(-c3nnn[n-]3)c2)cc(C)n1 ZINC001580925818 1172571005 /nfs/dbraw/zinc/57/10/05/1172571005.db2.gz RNORECCJONNILI-UHFFFAOYSA-N -1 1 298.306 1.402 20 0 CDADMM Cc1cc(CNC(=O)c2coc(-c3nn[n-]n3)c2)cc(C)n1 ZINC001580925818 1172571009 /nfs/dbraw/zinc/57/10/09/1172571009.db2.gz RNORECCJONNILI-UHFFFAOYSA-N -1 1 298.306 1.402 20 0 CDADMM Cc1ccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c(C)c1 ZINC001581173905 1172591758 /nfs/dbraw/zinc/59/17/58/1172591758.db2.gz DOUPQHHUWDYDKW-UHFFFAOYSA-N -1 1 297.322 1.469 20 0 CDADMM Cc1ccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c(C)c1 ZINC001581173905 1172591766 /nfs/dbraw/zinc/59/17/66/1172591766.db2.gz DOUPQHHUWDYDKW-UHFFFAOYSA-N -1 1 297.322 1.469 20 0 CDADMM O=C(Nc1cccc(Cl)n1)c1coc(-c2nnn[n-]2)c1 ZINC001582644690 1172687493 /nfs/dbraw/zinc/68/74/93/1172687493.db2.gz LJDVJXVFGIQWIC-UHFFFAOYSA-N -1 1 290.670 1.760 20 0 CDADMM O=C(Nc1cccc(Cl)n1)c1coc(-c2nn[n-]n2)c1 ZINC001582644690 1172687501 /nfs/dbraw/zinc/68/75/01/1172687501.db2.gz LJDVJXVFGIQWIC-UHFFFAOYSA-N -1 1 290.670 1.760 20 0 CDADMM CN(C(=O)c1cnc2ccc(F)cc2c1)c1nn[n-]n1 ZINC001587339574 1172982463 /nfs/dbraw/zinc/98/24/63/1172982463.db2.gz KHXVQAUICFSTOM-UHFFFAOYSA-N -1 1 272.243 1.164 20 0 CDADMM C=C=CCNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001588466647 1173066372 /nfs/dbraw/zinc/06/63/72/1173066372.db2.gz FRYVNKMXTGALRM-UHFFFAOYSA-N -1 1 280.291 1.419 20 0 CDADMM CC(C)[C@@H](O)CCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001589480378 1173148750 /nfs/dbraw/zinc/14/87/50/1173148750.db2.gz MDXQZTNEVBMUCH-VIFPVBQESA-N -1 1 296.762 1.734 20 0 CDADMM CC(C)[C@@H](O)CCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001589480378 1173148756 /nfs/dbraw/zinc/14/87/56/1173148756.db2.gz MDXQZTNEVBMUCH-VIFPVBQESA-N -1 1 296.762 1.734 20 0 CDADMM C[C@@]1(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C=CCC1 ZINC001590070505 1173244328 /nfs/dbraw/zinc/24/43/28/1173244328.db2.gz ATJKZOFKTZJXII-CYBMUJFWSA-N -1 1 270.296 1.557 20 0 CDADMM C[C@@]1(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C=CCC1 ZINC001590070505 1173244331 /nfs/dbraw/zinc/24/43/31/1173244331.db2.gz ATJKZOFKTZJXII-CYBMUJFWSA-N -1 1 270.296 1.557 20 0 CDADMM CC1(C)C[C@H](OC(=O)c2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001590085191 1173250747 /nfs/dbraw/zinc/25/07/47/1173250747.db2.gz MVHDJGHYMGFKLO-MRVPVSSYSA-N -1 1 292.295 1.574 20 0 CDADMM CC1(C)CO[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590111080 1173258609 /nfs/dbraw/zinc/25/86/09/1173258609.db2.gz NRIWGJQMHUZFFV-VIFPVBQESA-N -1 1 289.343 1.274 20 0 CDADMM CC1(C)CO[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590111080 1173258617 /nfs/dbraw/zinc/25/86/17/1173258617.db2.gz NRIWGJQMHUZFFV-VIFPVBQESA-N -1 1 289.343 1.274 20 0 CDADMM CC1(CSc2cccnc2-c2nnn[n-]2)COC1 ZINC001590139499 1173271119 /nfs/dbraw/zinc/27/11/19/1173271119.db2.gz JMGFXKRMLKYQNO-UHFFFAOYSA-N -1 1 263.326 1.390 20 0 CDADMM CC1(CSc2cccnc2-c2nn[n-]n2)COC1 ZINC001590139499 1173271126 /nfs/dbraw/zinc/27/11/26/1173271126.db2.gz JMGFXKRMLKYQNO-UHFFFAOYSA-N -1 1 263.326 1.390 20 0 CDADMM C[C@H]1CCC(C)(C)N1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590225229 1173304959 /nfs/dbraw/zinc/30/49/59/1173304959.db2.gz JMPFSSTXBAYEND-QMMMGPOBSA-N -1 1 275.312 1.863 20 0 CDADMM C[C@H]1CCC(C)(C)N1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590225229 1173304966 /nfs/dbraw/zinc/30/49/66/1173304966.db2.gz JMPFSSTXBAYEND-QMMMGPOBSA-N -1 1 275.312 1.863 20 0 CDADMM C[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001590253189 1173321126 /nfs/dbraw/zinc/32/11/26/1173321126.db2.gz NJHDIFBXTXRXST-NXEZZACHSA-N -1 1 273.344 1.459 20 0 CDADMM C[C@@H]1COC[C@@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001590326104 1173343204 /nfs/dbraw/zinc/34/32/04/1173343204.db2.gz TXGWHWHHLYYKEZ-UHNVWZDZSA-N -1 1 286.748 1.423 20 0 CDADMM C[C@@H]1COCC[C@@H]1OC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590321898 1173353406 /nfs/dbraw/zinc/35/34/06/1173353406.db2.gz DGVBTZDDWUQPDO-APPZFPTMSA-N -1 1 278.268 1.042 20 0 CDADMM C[C@@H]1COCC[C@@H]1OC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590321898 1173353413 /nfs/dbraw/zinc/35/34/13/1173353413.db2.gz DGVBTZDDWUQPDO-APPZFPTMSA-N -1 1 278.268 1.042 20 0 CDADMM C[C@H]1OCC[C@H]1SCc1nc(-c2nnn[n-]2)cs1 ZINC001590339355 1173365267 /nfs/dbraw/zinc/36/52/67/1173365267.db2.gz WFHBSFIYYIINAF-HTRCEHHLSA-N -1 1 283.382 1.734 20 0 CDADMM C[C@H]1OCC[C@H]1SCc1nc(-c2nn[n-]n2)cs1 ZINC001590339355 1173365275 /nfs/dbraw/zinc/36/52/75/1173365275.db2.gz WFHBSFIYYIINAF-HTRCEHHLSA-N -1 1 283.382 1.734 20 0 CDADMM C/C=C(/CC)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001590355510 1173371184 /nfs/dbraw/zinc/37/11/84/1173371184.db2.gz ZTDPQYJFLRZESL-CLTKARDFSA-N -1 1 279.325 1.723 20 0 CDADMM C/C=C(/CC)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001590355510 1173371190 /nfs/dbraw/zinc/37/11/90/1173371190.db2.gz ZTDPQYJFLRZESL-CLTKARDFSA-N -1 1 279.325 1.723 20 0 CDADMM CC[C@@H](C)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2 ZINC001590410942 1173397286 /nfs/dbraw/zinc/39/72/86/1173397286.db2.gz XLRYKSMCWWWCBD-SNVBAGLBSA-N -1 1 287.367 1.953 20 0 CDADMM CC[C@H](CSC)Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001590450063 1173413861 /nfs/dbraw/zinc/41/38/61/1173413861.db2.gz PQOPWRAVAJIQLG-SECBINFHSA-N -1 1 278.385 1.546 20 0 CDADMM CC[C@H](CSC)Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001590450063 1173413868 /nfs/dbraw/zinc/41/38/68/1173413868.db2.gz PQOPWRAVAJIQLG-SECBINFHSA-N -1 1 278.385 1.546 20 0 CDADMM CC[C@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ccncc1 ZINC001590471575 1173421120 /nfs/dbraw/zinc/42/11/20/1173421120.db2.gz JILIRRHCPMGESZ-JTQLQIEISA-N -1 1 282.311 1.615 20 0 CDADMM CC[C@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ccncc1 ZINC001590471575 1173421123 /nfs/dbraw/zinc/42/11/23/1173421123.db2.gz JILIRRHCPMGESZ-JTQLQIEISA-N -1 1 282.311 1.615 20 0 CDADMM CC[C@H](c1ccncc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001590483486 1173430476 /nfs/dbraw/zinc/43/04/76/1173430476.db2.gz NQVKCAIRKLDJQR-GFCCVEGCSA-N -1 1 296.338 1.639 20 0 CDADMM CC[C@H](c1ccncc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001590483486 1173430480 /nfs/dbraw/zinc/43/04/80/1173430480.db2.gz NQVKCAIRKLDJQR-GFCCVEGCSA-N -1 1 296.338 1.639 20 0 CDADMM CCC1(O)CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001590500195 1173436279 /nfs/dbraw/zinc/43/62/79/1173436279.db2.gz QJPUDOJBKZZBQA-UHFFFAOYSA-N -1 1 294.384 1.373 20 0 CDADMM CC[C@H]1C[C@H](C)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001590503895 1173439736 /nfs/dbraw/zinc/43/97/36/1173439736.db2.gz UEYSROKDJGBISD-IUCAKERBSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@H]1C[C@@H](Nc2ccc(C)c(-c3nnn[n-]3)n2)CCO1 ZINC001590503753 1173440181 /nfs/dbraw/zinc/44/01/81/1173440181.db2.gz BBLHRPNWBMBPQC-QWRGUYRKSA-N -1 1 288.355 1.940 20 0 CDADMM CC[C@H]1C[C@@H](Nc2ccc(C)c(-c3nn[n-]n3)n2)CCO1 ZINC001590503753 1173440186 /nfs/dbraw/zinc/44/01/86/1173440186.db2.gz BBLHRPNWBMBPQC-QWRGUYRKSA-N -1 1 288.355 1.940 20 0 CDADMM CC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H]1C ZINC001590514236 1173443264 /nfs/dbraw/zinc/44/32/64/1173443264.db2.gz GOFGWUGBZLPUFS-VHSXEESVSA-N -1 1 286.339 1.522 20 0 CDADMM CC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H]1C ZINC001590514236 1173443267 /nfs/dbraw/zinc/44/32/67/1173443267.db2.gz GOFGWUGBZLPUFS-VHSXEESVSA-N -1 1 286.339 1.522 20 0 CDADMM CC[C@@H]1COCCN1C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590526444 1173452146 /nfs/dbraw/zinc/45/21/46/1173452146.db2.gz PWAWFEPPZUEISO-SECBINFHSA-N -1 1 291.311 1.019 20 0 CDADMM CC[C@@H]1COCCN1C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590526444 1173452156 /nfs/dbraw/zinc/45/21/56/1173452156.db2.gz PWAWFEPPZUEISO-SECBINFHSA-N -1 1 291.311 1.019 20 0 CDADMM CCCOCn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2 ZINC001590644631 1173480959 /nfs/dbraw/zinc/48/09/59/1173480959.db2.gz JNDBGSAPRXHIOS-UHFFFAOYSA-N -1 1 289.339 1.291 20 0 CDADMM CCN(C(=O)NCc1ccnc(-c2nnn[n-]2)c1)C(C)C ZINC001590671665 1173486515 /nfs/dbraw/zinc/48/65/15/1173486515.db2.gz GSPVSXHTRJYGQF-UHFFFAOYSA-N -1 1 289.343 1.202 20 0 CDADMM CCN(C(=O)NCc1ccnc(-c2nn[n-]n2)c1)C(C)C ZINC001590671665 1173486518 /nfs/dbraw/zinc/48/65/18/1173486518.db2.gz GSPVSXHTRJYGQF-UHFFFAOYSA-N -1 1 289.343 1.202 20 0 CDADMM CCOC[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)C(C)C ZINC001590799746 1173512942 /nfs/dbraw/zinc/51/29/42/1173512942.db2.gz BIWBNVRTUYQANA-SNVBAGLBSA-N -1 1 277.332 1.130 20 0 CDADMM CCOC[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)C(C)C ZINC001590799746 1173512947 /nfs/dbraw/zinc/51/29/47/1173512947.db2.gz BIWBNVRTUYQANA-SNVBAGLBSA-N -1 1 277.332 1.130 20 0 CDADMM CCOCCN(CC)Cc1nc(-c2nnn[n-]2)cs1 ZINC001590812969 1173518126 /nfs/dbraw/zinc/51/81/26/1173518126.db2.gz XLBSZFPBRQQJEA-UHFFFAOYSA-N -1 1 282.373 1.182 20 0 CDADMM CCOCCN(CC)Cc1nc(-c2nn[n-]n2)cs1 ZINC001590812969 1173518137 /nfs/dbraw/zinc/51/81/37/1173518137.db2.gz XLBSZFPBRQQJEA-UHFFFAOYSA-N -1 1 282.373 1.182 20 0 CDADMM CCOCSc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC001590816820 1173519109 /nfs/dbraw/zinc/51/91/09/1173519109.db2.gz CUNJNSNBQSPFBZ-UHFFFAOYSA-N -1 1 266.330 1.360 20 0 CDADMM CC[C@@H]1C[C@H]1C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001590859205 1173530576 /nfs/dbraw/zinc/53/05/76/1173530576.db2.gz BLVGUYDLJXMLTQ-PSASIEDQSA-N -1 1 272.312 1.271 20 0 CDADMM CC[C@@H]1C[C@H]1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001590859205 1173530583 /nfs/dbraw/zinc/53/05/83/1173530583.db2.gz BLVGUYDLJXMLTQ-PSASIEDQSA-N -1 1 272.312 1.271 20 0 CDADMM CCc1nc(N[C@H]2CCSC2)cc(-c2nnn[n-]2)n1 ZINC001590916219 1173541265 /nfs/dbraw/zinc/54/12/65/1173541265.db2.gz MJFUCNLFYMRVGU-ZETCQYMHSA-N -1 1 277.357 1.137 20 0 CDADMM CCc1nc(N[C@H]2CCSC2)cc(-c2nn[n-]n2)n1 ZINC001590916219 1173541270 /nfs/dbraw/zinc/54/12/70/1173541270.db2.gz MJFUCNLFYMRVGU-ZETCQYMHSA-N -1 1 277.357 1.137 20 0 CDADMM CCc1nc(NCC2=CCCC2)cc(-c2nnn[n-]2)n1 ZINC001590918250 1173544705 /nfs/dbraw/zinc/54/47/05/1173544705.db2.gz XWXNUGVNUXPPLX-UHFFFAOYSA-N -1 1 271.328 1.741 20 0 CDADMM CCc1nc(NCC2=CCCC2)cc(-c2nn[n-]n2)n1 ZINC001590918250 1173544712 /nfs/dbraw/zinc/54/47/12/1173544712.db2.gz XWXNUGVNUXPPLX-UHFFFAOYSA-N -1 1 271.328 1.741 20 0 CDADMM CCc1nnc(CNc2cccnc2-c2nnn[n-]2)s1 ZINC001590930370 1173544918 /nfs/dbraw/zinc/54/49/18/1173544918.db2.gz MTHFRHPKBJDFLD-UHFFFAOYSA-N -1 1 288.340 1.288 20 0 CDADMM CCc1nnc(CNc2cccnc2-c2nn[n-]n2)s1 ZINC001590930370 1173544921 /nfs/dbraw/zinc/54/49/21/1173544921.db2.gz MTHFRHPKBJDFLD-UHFFFAOYSA-N -1 1 288.340 1.288 20 0 CDADMM CCn1ccc(CNc2snc(C)c2-c2nn[n-]n2)n1 ZINC001590960002 1173549151 /nfs/dbraw/zinc/54/91/51/1173549151.db2.gz ZNGPHIIOBXWEBO-UHFFFAOYSA-N -1 1 290.356 1.460 20 0 CDADMM CCn1ncnc1CSCc1ccc(-c2nnn[n-]2)o1 ZINC001590971197 1173553649 /nfs/dbraw/zinc/55/36/49/1173553649.db2.gz NYBKMGKBBWNYNP-UHFFFAOYSA-N -1 1 291.340 1.505 20 0 CDADMM CCn1ncnc1CSCc1ccc(-c2nn[n-]n2)o1 ZINC001590971197 1173553654 /nfs/dbraw/zinc/55/36/54/1173553654.db2.gz NYBKMGKBBWNYNP-UHFFFAOYSA-N -1 1 291.340 1.505 20 0 CDADMM CN(Cc1ccccc1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591147594 1173582352 /nfs/dbraw/zinc/58/23/52/1173582352.db2.gz BIASFHYOVRZTSD-UHFFFAOYSA-N -1 1 283.291 1.732 20 0 CDADMM CN(Cc1ccccc1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591147594 1173582360 /nfs/dbraw/zinc/58/23/60/1173582360.db2.gz BIASFHYOVRZTSD-UHFFFAOYSA-N -1 1 283.291 1.732 20 0 CDADMM CN1CCN(Cc2ccc(-c3nnn[n-]3)o2)c2cccnc21 ZINC001591193051 1173588906 /nfs/dbraw/zinc/58/89/06/1173588906.db2.gz NFXGIRBSNLAUKC-UHFFFAOYSA-N -1 1 297.322 1.311 20 0 CDADMM CN1CCN(Cc2ccc(-c3nn[n-]n3)o2)c2cccnc21 ZINC001591193051 1173588913 /nfs/dbraw/zinc/58/89/13/1173588913.db2.gz NFXGIRBSNLAUKC-UHFFFAOYSA-N -1 1 297.322 1.311 20 0 CDADMM COC(=O)/C(C)=C/CNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001591228372 1173597338 /nfs/dbraw/zinc/59/73/38/1173597338.db2.gz KDGJVLPJPUKXOC-RUDMXATFSA-N -1 1 288.311 1.101 20 0 CDADMM COC(=O)/C(C)=C/CNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001591228372 1173597344 /nfs/dbraw/zinc/59/73/44/1173597344.db2.gz KDGJVLPJPUKXOC-RUDMXATFSA-N -1 1 288.311 1.101 20 0 CDADMM CO[C@H](COc1ccc(F)nc1-c1nn[n-]n1)C1CCC1 ZINC001591333342 1173614378 /nfs/dbraw/zinc/61/43/78/1173614378.db2.gz BNODEZWUCUHPQN-SNVBAGLBSA-N -1 1 293.302 1.595 20 0 CDADMM CO[C@H]1CC[C@@H]1N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591356051 1173628102 /nfs/dbraw/zinc/62/81/02/1173628102.db2.gz WMFKMYVXZKRHHF-YUMQZZPRSA-N -1 1 293.352 1.178 20 0 CDADMM CO[C@H]1CC[C@@H]1N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591356051 1173628105 /nfs/dbraw/zinc/62/81/05/1173628105.db2.gz WMFKMYVXZKRHHF-YUMQZZPRSA-N -1 1 293.352 1.178 20 0 CDADMM COC[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)C1CC1 ZINC001591381487 1173639521 /nfs/dbraw/zinc/63/95/21/1173639521.db2.gz JSLSHKDDJIETQC-VIFPVBQESA-N -1 1 293.352 1.083 20 0 CDADMM COCCN(CC(C)C)c1cc(C)nc(-c2nnn[n-]2)c1 ZINC001591421624 1173652294 /nfs/dbraw/zinc/65/22/94/1173652294.db2.gz PUPDGANTVNLHNX-UHFFFAOYSA-N -1 1 290.371 1.679 20 0 CDADMM COCCN(CC(C)C)c1cc(C)nc(-c2nn[n-]n2)c1 ZINC001591421624 1173652300 /nfs/dbraw/zinc/65/23/00/1173652300.db2.gz PUPDGANTVNLHNX-UHFFFAOYSA-N -1 1 290.371 1.679 20 0 CDADMM COCc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591458885 1173653501 /nfs/dbraw/zinc/65/35/01/1173653501.db2.gz ITDWDACJYGRJNE-UHFFFAOYSA-N -1 1 299.290 1.858 20 0 CDADMM COc1cc(C)nc(COc2cccnc2-c2nnn[n-]2)c1 ZINC001591521966 1173663576 /nfs/dbraw/zinc/66/35/76/1173663576.db2.gz DPBMALSEKYMWPB-UHFFFAOYSA-N -1 1 298.306 1.553 20 0 CDADMM COc1cc(C)nc(COc2cccnc2-c2nn[n-]n2)c1 ZINC001591521966 1173663579 /nfs/dbraw/zinc/66/35/79/1173663579.db2.gz DPBMALSEKYMWPB-UHFFFAOYSA-N -1 1 298.306 1.553 20 0 CDADMM COc1ccc([C@H](C)Cn2cc(-c3nn[n-]n3)nn2)cc1 ZINC001591575513 1173671467 /nfs/dbraw/zinc/67/14/67/1173671467.db2.gz ACHOHHDFRLUQPR-SECBINFHSA-N -1 1 285.311 1.271 20 0 CDADMM C[C@@H]1CC=CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001591732281 1173694497 /nfs/dbraw/zinc/69/44/97/1173694497.db2.gz PGLJIFGDRYHPNV-RKDXNWHRSA-N -1 1 257.301 1.423 20 0 CDADMM C[C@@H]1CC=CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001591732281 1173694501 /nfs/dbraw/zinc/69/45/01/1173694501.db2.gz PGLJIFGDRYHPNV-RKDXNWHRSA-N -1 1 257.301 1.423 20 0 CDADMM C[C@H]1c2ccccc2CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001591775407 1173698549 /nfs/dbraw/zinc/69/85/49/1173698549.db2.gz ACFHPLMUJHTRNP-VIFPVBQESA-N -1 1 279.307 1.738 20 0 CDADMM Cc1[nH]nc(C(=O)OCc2ccc(-c3nnn[n-]3)o2)c1C ZINC001591793106 1173707291 /nfs/dbraw/zinc/70/72/91/1173707291.db2.gz IRQRTHKZDCZEIH-UHFFFAOYSA-N -1 1 288.267 1.157 20 0 CDADMM Cc1[nH]nc(C(=O)OCc2ccc(-c3nn[n-]n3)o2)c1C ZINC001591793106 1173707296 /nfs/dbraw/zinc/70/72/96/1173707296.db2.gz IRQRTHKZDCZEIH-UHFFFAOYSA-N -1 1 288.267 1.157 20 0 CDADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CCC2CCC2)c1 ZINC001591836752 1173711684 /nfs/dbraw/zinc/71/16/84/1173711684.db2.gz JLBURFGHENFSSN-UHFFFAOYSA-N -1 1 259.313 1.527 20 0 CDADMM Cc1cc(NC[C@@H]2CCCOC2)nc(-c2nnn[n-]2)c1 ZINC001592043864 1173784883 /nfs/dbraw/zinc/78/48/83/1173784883.db2.gz LNADQHFWPSGHNE-JTQLQIEISA-N -1 1 274.328 1.409 20 0 CDADMM Cc1cc(NC[C@@H]2CCCOC2)nc(-c2nn[n-]n2)c1 ZINC001592043864 1173784889 /nfs/dbraw/zinc/78/48/89/1173784889.db2.gz LNADQHFWPSGHNE-JTQLQIEISA-N -1 1 274.328 1.409 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@@H]1CCOC[C@H]1C ZINC001592113721 1173804547 /nfs/dbraw/zinc/80/45/47/1173804547.db2.gz IREKMSKBHKMFSC-NXEZZACHSA-N -1 1 274.328 1.407 20 0 CDADMM Cc1c([C@@H](C)Nc2nc(-c3nn[n-]n3)ccc2C)cnn1C ZINC001592113498 1173804773 /nfs/dbraw/zinc/80/47/73/1173804773.db2.gz HMULNJBQRUYYBU-SECBINFHSA-N -1 1 298.354 1.785 20 0 CDADMM Cc1ccc(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)o1 ZINC001592161201 1173817339 /nfs/dbraw/zinc/81/73/39/1173817339.db2.gz CPAILOBDULQIQF-UHFFFAOYSA-N -1 1 299.294 1.485 20 0 CDADMM Cc1ccc(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)o1 ZINC001592161201 1173817344 /nfs/dbraw/zinc/81/73/44/1173817344.db2.gz CPAILOBDULQIQF-UHFFFAOYSA-N -1 1 299.294 1.485 20 0 CDADMM Cc1ccc(Cn2ccnc2-c2nnn[n-]2)cc1F ZINC001592171322 1173820827 /nfs/dbraw/zinc/82/08/27/1173820827.db2.gz ACSURQPJVUMPFG-UHFFFAOYSA-N -1 1 258.260 1.559 20 0 CDADMM Cc1ccc(Cn2ccnc2-c2nn[n-]n2)cc1F ZINC001592171322 1173820831 /nfs/dbraw/zinc/82/08/31/1173820831.db2.gz ACSURQPJVUMPFG-UHFFFAOYSA-N -1 1 258.260 1.559 20 0 CDADMM Cc1ccc(N2CCCO[C@@H](C)C2)nc1-c1nnn[n-]1 ZINC001592176813 1173823881 /nfs/dbraw/zinc/82/38/81/1173823881.db2.gz PCHZPGQZSZZJKR-JTQLQIEISA-N -1 1 274.328 1.185 20 0 CDADMM Cc1ccc(N2CCCO[C@@H](C)C2)nc1-c1nn[n-]n1 ZINC001592176813 1173823885 /nfs/dbraw/zinc/82/38/85/1173823885.db2.gz PCHZPGQZSZZJKR-JTQLQIEISA-N -1 1 274.328 1.185 20 0 CDADMM Cc1ccc(N2CCC([C@@H](C)O)CC2)c(-c2nnn[n-]2)n1 ZINC001592177978 1173826647 /nfs/dbraw/zinc/82/66/47/1173826647.db2.gz QNKPTHFZWKAGCQ-SNVBAGLBSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(N2CCC([C@@H](C)O)CC2)c(-c2nn[n-]n2)n1 ZINC001592177978 1173826653 /nfs/dbraw/zinc/82/66/53/1173826653.db2.gz QNKPTHFZWKAGCQ-SNVBAGLBSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001592216470 1173833600 /nfs/dbraw/zinc/83/36/00/1173833600.db2.gz VTFZZGOHHKWMRG-UHFFFAOYSA-N -1 1 294.318 1.847 20 0 CDADMM Cc1cccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001592216470 1173833604 /nfs/dbraw/zinc/83/36/04/1173833604.db2.gz VTFZZGOHHKWMRG-UHFFFAOYSA-N -1 1 294.318 1.847 20 0 CDADMM Cc1cccc(-c2noc(-c3ccc(-c4nn[n-]n4)o3)n2)n1 ZINC001592215272 1173834069 /nfs/dbraw/zinc/83/40/69/1173834069.db2.gz LCSVZGXWOKXCPS-UHFFFAOYSA-N -1 1 295.262 1.880 20 0 CDADMM Cc1cccc(CN(C)c2cncc(-c3nnn[n-]3)n2)c1 ZINC001592230286 1173836787 /nfs/dbraw/zinc/83/67/87/1173836787.db2.gz OAFRGKNWCNGORH-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1cccc(CN(C)c2cncc(-c3nn[n-]n3)n2)c1 ZINC001592230286 1173836791 /nfs/dbraw/zinc/83/67/91/1173836791.db2.gz OAFRGKNWCNGORH-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1ccn(CCSC(C)(C)C)c(=O)c1-c1nn[n-]n1 ZINC001592265603 1173839514 /nfs/dbraw/zinc/83/95/14/1173839514.db2.gz BYTGVUZZZAEBTN-UHFFFAOYSA-N -1 1 293.396 1.869 20 0 CDADMM Cc1cnc(COC(=O)c2ccc(-c3nn[n-]n3)o2)o1 ZINC001592294212 1173850115 /nfs/dbraw/zinc/85/01/15/1173850115.db2.gz YDDJXBIELPERSX-UHFFFAOYSA-N -1 1 275.224 1.113 20 0 CDADMM Cc1ccc(NCCc2ccncc2C)nc1-c1nn[n-]n1 ZINC001592301045 1173852031 /nfs/dbraw/zinc/85/20/31/1173852031.db2.gz YPJXCEVSPDYKOZ-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@@H]2CC[C@H](C3CC3)O2)c1C ZINC001592339404 1173860254 /nfs/dbraw/zinc/86/02/54/1173860254.db2.gz KXRVGVFVXNNPLW-NWDGAFQWSA-N -1 1 288.355 1.638 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@@H]2CC[C@H](C3CC3)O2)c1C ZINC001592339404 1173860259 /nfs/dbraw/zinc/86/02/59/1173860259.db2.gz KXRVGVFVXNNPLW-NWDGAFQWSA-N -1 1 288.355 1.638 20 0 CDADMM Cc1nc([C@H](C)NCc2ccc(-c3nnn[n-]3)o2)no1 ZINC001592354202 1173865653 /nfs/dbraw/zinc/86/56/53/1173865653.db2.gz MURYBCYCBJGXJS-LURJTMIESA-N -1 1 275.272 1.002 20 0 CDADMM Cc1nc([C@H](C)NCc2ccc(-c3nn[n-]n3)o2)no1 ZINC001592354202 1173865658 /nfs/dbraw/zinc/86/56/58/1173865658.db2.gz MURYBCYCBJGXJS-LURJTMIESA-N -1 1 275.272 1.002 20 0 CDADMM Cc1nccnc1[C@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592419404 1173885269 /nfs/dbraw/zinc/88/52/69/1173885269.db2.gz FHNPVUSFXDNSKR-VIFPVBQESA-N -1 1 282.311 1.533 20 0 CDADMM Cc1nccnc1[C@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592419404 1173885275 /nfs/dbraw/zinc/88/52/75/1173885275.db2.gz FHNPVUSFXDNSKR-VIFPVBQESA-N -1 1 282.311 1.533 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCc1cccnc1 ZINC001592501395 1173907632 /nfs/dbraw/zinc/90/76/32/1173907632.db2.gz PYSSBGBZJFYLPN-UHFFFAOYSA-N -1 1 298.306 1.136 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCc1cccnc1 ZINC001592501395 1173907635 /nfs/dbraw/zinc/90/76/35/1173907635.db2.gz PYSSBGBZJFYLPN-UHFFFAOYSA-N -1 1 298.306 1.136 20 0 CDADMM Clc1sc(NC2CCOCC2)nc1-c1nn[n-]n1 ZINC001592543493 1173918151 /nfs/dbraw/zinc/91/81/51/1173918151.db2.gz POKKEEBJRBSFHX-UHFFFAOYSA-N -1 1 286.748 1.568 20 0 CDADMM FC(F)(F)CC1CN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592616159 1173930116 /nfs/dbraw/zinc/93/01/16/1173930116.db2.gz SWFOBQUAUMLYAC-UHFFFAOYSA-N -1 1 285.233 1.045 20 0 CDADMM FC(F)(F)CC1CN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592616159 1173930124 /nfs/dbraw/zinc/93/01/24/1173930124.db2.gz SWFOBQUAUMLYAC-UHFFFAOYSA-N -1 1 285.233 1.045 20 0 CDADMM Fc1ccc([C@@H]2CCN2c2cncc(-c3nnn[n-]3)n2)cc1 ZINC001592648792 1173952189 /nfs/dbraw/zinc/95/21/89/1173952189.db2.gz YKTSUOITMMSBTH-LBPRGKRZSA-N -1 1 297.297 1.747 20 0 CDADMM Fc1ccc([C@@H]2CCN2c2cncc(-c3nn[n-]n3)n2)cc1 ZINC001592648792 1173952192 /nfs/dbraw/zinc/95/21/92/1173952192.db2.gz YKTSUOITMMSBTH-LBPRGKRZSA-N -1 1 297.297 1.747 20 0 CDADMM O=C(CCC1CCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592830242 1173994050 /nfs/dbraw/zinc/99/40/50/1173994050.db2.gz ZGIOGHGAZXPUOJ-UHFFFAOYSA-N -1 1 272.312 1.781 20 0 CDADMM O=C(CCC1CCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592830242 1173994059 /nfs/dbraw/zinc/99/40/59/1173994059.db2.gz ZGIOGHGAZXPUOJ-UHFFFAOYSA-N -1 1 272.312 1.781 20 0 CDADMM O=C(N[C@H](C1CC1)C1CCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001592949861 1174005282 /nfs/dbraw/zinc/00/52/82/1174005282.db2.gz NGWWNICIJKFDHA-ZDUSSCGKSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(N[C@H](C1CC1)C1CCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001592949861 1174005288 /nfs/dbraw/zinc/00/52/88/1174005288.db2.gz NGWWNICIJKFDHA-ZDUSSCGKSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(NC1(C(F)F)CCCC1)c1coc(-c2nnn[n-]2)c1 ZINC001592957000 1174006309 /nfs/dbraw/zinc/00/63/09/1174006309.db2.gz SMNIUOBMWYSYAH-UHFFFAOYSA-N -1 1 297.265 1.767 20 0 CDADMM O=C(NC1(C(F)F)CCCC1)c1coc(-c2nn[n-]n2)c1 ZINC001592957000 1174006315 /nfs/dbraw/zinc/00/63/15/1174006315.db2.gz SMNIUOBMWYSYAH-UHFFFAOYSA-N -1 1 297.265 1.767 20 0 CDADMM O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1ccc(-c2nnn[n-]2)o1 ZINC001592970980 1174008047 /nfs/dbraw/zinc/00/80/47/1174008047.db2.gz FNMKOMGFTUEBGW-HRDYMLBCSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1ccc(-c2nn[n-]n2)o1 ZINC001592970980 1174008050 /nfs/dbraw/zinc/00/80/50/1174008050.db2.gz FNMKOMGFTUEBGW-HRDYMLBCSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(N[C@@H]1CC12CCCCC2)c1ccc(-c2nnn[n-]2)o1 ZINC001592967337 1174008957 /nfs/dbraw/zinc/00/89/57/1174008957.db2.gz VGJGMBQFDLYEJE-LLVKDONJSA-N -1 1 287.323 1.912 20 0 CDADMM O=C(N[C@@H]1CC12CCCCC2)c1ccc(-c2nn[n-]n2)o1 ZINC001592967337 1174008962 /nfs/dbraw/zinc/00/89/62/1174008962.db2.gz VGJGMBQFDLYEJE-LLVKDONJSA-N -1 1 287.323 1.912 20 0 CDADMM O=C(N[C@H]1CCC(F)(F)C1)c1ccsc1-c1nnn[n-]1 ZINC001592972330 1174010663 /nfs/dbraw/zinc/01/06/63/1174010663.db2.gz KRLGZUXUTTZCAO-LURJTMIESA-N -1 1 299.306 1.846 20 0 CDADMM O=C(NCC[C@@H]1C[C@H]1C1CC1)c1ccc(-c2nnn[n-]2)o1 ZINC001593100573 1174019802 /nfs/dbraw/zinc/01/98/02/1174019802.db2.gz PPLRKFZJPTVGJI-ZJUUUORDSA-N -1 1 287.323 1.626 20 0 CDADMM O=C(NCC[C@@H]1C[C@H]1C1CC1)c1ccc(-c2nn[n-]n2)o1 ZINC001593100573 1174019810 /nfs/dbraw/zinc/01/98/10/1174019810.db2.gz PPLRKFZJPTVGJI-ZJUUUORDSA-N -1 1 287.323 1.626 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H]1CCCC12CC2 ZINC001593196989 1174032355 /nfs/dbraw/zinc/03/23/55/1174032355.db2.gz CBKPQVVTIVWZTA-MRVPVSSYSA-N -1 1 273.300 1.109 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H]1CCCC12CC2 ZINC001593196989 1174032362 /nfs/dbraw/zinc/03/23/62/1174032362.db2.gz CBKPQVVTIVWZTA-MRVPVSSYSA-N -1 1 273.300 1.109 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@]12C[C@H]1CCC2 ZINC001593243277 1174037962 /nfs/dbraw/zinc/03/79/62/1174037962.db2.gz BULBUIIFQHXLCB-AMIZOPFISA-N -1 1 285.311 1.326 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@]12C[C@H]1CCC2 ZINC001593243277 1174037973 /nfs/dbraw/zinc/03/79/73/1174037973.db2.gz BULBUIIFQHXLCB-AMIZOPFISA-N -1 1 285.311 1.326 20 0 CDADMM O=C(Nc1cccnc1)c1coc(-c2nnn[n-]2)c1 ZINC001593254733 1174039955 /nfs/dbraw/zinc/03/99/55/1174039955.db2.gz UDTAXGBAOJPNEN-UHFFFAOYSA-N -1 1 256.225 1.107 20 0 CDADMM O=C(Nc1cccnc1)c1coc(-c2nn[n-]n2)c1 ZINC001593254733 1174039960 /nfs/dbraw/zinc/03/99/60/1174039960.db2.gz UDTAXGBAOJPNEN-UHFFFAOYSA-N -1 1 256.225 1.107 20 0 CDADMM O=C(OC[C@@H]1CCC[C@@H](O)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001593284870 1174051361 /nfs/dbraw/zinc/05/13/61/1174051361.db2.gz UYFJVBZHUXKDQL-RKDXNWHRSA-N -1 1 292.295 1.168 20 0 CDADMM O=C(OC[C@@H]1CC=CCC1)c1coc(-c2nnn[n-]2)c1 ZINC001593284771 1174051447 /nfs/dbraw/zinc/05/14/47/1174051447.db2.gz NSFXHTDWJWHMEQ-SECBINFHSA-N -1 1 274.280 1.973 20 0 CDADMM O=C(OC[C@@H]1CC=CCC1)c1coc(-c2nn[n-]n2)c1 ZINC001593284771 1174051451 /nfs/dbraw/zinc/05/14/51/1174051451.db2.gz NSFXHTDWJWHMEQ-SECBINFHSA-N -1 1 274.280 1.973 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC(CC(F)F)C1 ZINC001593340399 1174067381 /nfs/dbraw/zinc/06/73/81/1174067381.db2.gz KICHMPAKEBEBEO-UHFFFAOYSA-N -1 1 283.238 1.187 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC(CC(F)F)C1 ZINC001593340399 1174067384 /nfs/dbraw/zinc/06/73/84/1174067384.db2.gz KICHMPAKEBEBEO-UHFFFAOYSA-N -1 1 283.238 1.187 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC001593340977 1174067827 /nfs/dbraw/zinc/06/78/27/1174067827.db2.gz SCLYOJICAIEAAD-GWCFXTLKSA-N -1 1 299.334 1.720 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC001593340977 1174067834 /nfs/dbraw/zinc/06/78/34/1174067834.db2.gz SCLYOJICAIEAAD-GWCFXTLKSA-N -1 1 299.334 1.720 20 0 CDADMM O=c1cc(CC2CC2)[n-]n1-c1ccc(-c2nn[nH]n2)cc1 ZINC001593384528 1174074297 /nfs/dbraw/zinc/07/42/97/1174074297.db2.gz BYCMKDUYIPFLRY-UHFFFAOYSA-N -1 1 282.307 1.760 20 0 CDADMM c1c(N[C@H]2CC23CCC3)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543642 1174111848 /nfs/dbraw/zinc/11/18/48/1174111848.db2.gz WHWJJYMOOVLGSQ-JTQLQIEISA-N -1 1 283.339 1.889 20 0 CDADMM c1c(N[C@H]2CC23CCC3)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543642 1174111856 /nfs/dbraw/zinc/11/18/56/1174111856.db2.gz WHWJJYMOOVLGSQ-JTQLQIEISA-N -1 1 283.339 1.889 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC001593550504 1174121265 /nfs/dbraw/zinc/12/12/65/1174121265.db2.gz WTZJUYYBICXOAL-RYUDHWBXSA-N -1 1 286.339 1.410 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC001593550504 1174121267 /nfs/dbraw/zinc/12/12/67/1174121267.db2.gz WTZJUYYBICXOAL-RYUDHWBXSA-N -1 1 286.339 1.410 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CN1CCO[C@H](C2CCC2)C1 ZINC001593550862 1174123085 /nfs/dbraw/zinc/12/30/85/1174123085.db2.gz CURCZTAGPOFRIT-ZDUSSCGKSA-N -1 1 289.339 1.461 20 0 CDADMM c1cc(NC[C@@H]2C[C@@H]2C2CCCC2)cc(-c2nnn[n-]2)n1 ZINC001593557965 1174133525 /nfs/dbraw/zinc/13/35/25/1174133525.db2.gz FBTCYLRDMNZXKT-WCQYABFASA-N -1 1 284.367 1.922 20 0 CDADMM c1cc(NC[C@@H]2C[C@@H]2C2CCCC2)cc(-c2nn[n-]n2)n1 ZINC001593557965 1174133530 /nfs/dbraw/zinc/13/35/30/1174133530.db2.gz FBTCYLRDMNZXKT-WCQYABFASA-N -1 1 284.367 1.922 20 0 CDADMM c1ccc2c(c1)CN(c1ncncc1-c1nn[n-]n1)CCO2 ZINC001593580712 1174147459 /nfs/dbraw/zinc/14/74/59/1174147459.db2.gz PUMATZQWYWWCKR-UHFFFAOYSA-N -1 1 295.306 1.056 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(Oc2nc(C3CC3)ns2)c1 ZINC001593583641 1174150482 /nfs/dbraw/zinc/15/04/82/1174150482.db2.gz CPIIPQXUASOSOS-UHFFFAOYSA-N -1 1 287.308 1.783 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(Oc2nc(C3CC3)ns2)c1 ZINC001593583641 1174150489 /nfs/dbraw/zinc/15/04/89/1174150489.db2.gz CPIIPQXUASOSOS-UHFFFAOYSA-N -1 1 287.308 1.783 20 0 CDADMM c1cn2ncc(-c3nn[n-]n3)c2n1Cc1cnc(C2CC2)o1 ZINC001593590463 1174156846 /nfs/dbraw/zinc/15/68/46/1174156846.db2.gz UATTYGJOAFFUMA-UHFFFAOYSA-N -1 1 296.294 1.230 20 0 CDADMM c1nc(N2CCCC[C@@H]2C2CCC2)cnc1-c1nnn[n-]1 ZINC001593590723 1174157269 /nfs/dbraw/zinc/15/72/69/1174157269.db2.gz DBAGZHNJYYZEAE-GFCCVEGCSA-N -1 1 285.355 1.816 20 0 CDADMM c1nc(N2CCCC[C@@H]2C2CCC2)cnc1-c1nn[n-]n1 ZINC001593590723 1174157274 /nfs/dbraw/zinc/15/72/74/1174157274.db2.gz DBAGZHNJYYZEAE-GFCCVEGCSA-N -1 1 285.355 1.816 20 0 CDADMM c1c[nH]c([C@@H]2CCCCN2c2cc(-c3nnn[n-]3)ncn2)n1 ZINC001593590424 1174158071 /nfs/dbraw/zinc/15/80/71/1174158071.db2.gz ROPFXDBSZGFSTL-JTQLQIEISA-N -1 1 297.326 1.111 20 0 CDADMM c1c[nH]c([C@@H]2CCCCN2c2cc(-c3nn[n-]n3)ncn2)n1 ZINC001593590424 1174158072 /nfs/dbraw/zinc/15/80/72/1174158072.db2.gz ROPFXDBSZGFSTL-JTQLQIEISA-N -1 1 297.326 1.111 20 0 CDADMM Cc1ccc(C(=O)N2CCN(C)[C@@H](C)[C@H]2C)cc1C(=O)[O-] ZINC001600333699 1174446282 /nfs/dbraw/zinc/44/62/82/1174446282.db2.gz JXZSTYNMZYJXLY-NWDGAFQWSA-N -1 1 290.363 1.858 20 0 CDADMM Cc1cnc(=S)n(CN2CC[C@H](C(=O)[O-])[C@@H]2C)c1 ZINC001600616212 1174529789 /nfs/dbraw/zinc/52/97/89/1174529789.db2.gz CSJVQYLGYFQYPA-UWVGGRQHSA-N -1 1 267.354 1.674 20 0 CDADMM Cn1c(CNCc2ccc[nH]c2=O)ccc1C(=O)[O-] ZINC001600915590 1174662626 /nfs/dbraw/zinc/66/26/26/1174662626.db2.gz BYZITFAZPFBHBV-UHFFFAOYSA-N -1 1 261.281 1.114 20 0 CDADMM Cn1cncc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001600993088 1174695330 /nfs/dbraw/zinc/69/53/30/1174695330.db2.gz HERYYHSFINPHJI-UHFFFAOYSA-N -1 1 285.263 1.247 20 0 CDADMM Nc1cc(CCCCNc2ncncc2C(=O)[O-])ccn1 ZINC001601212404 1174791816 /nfs/dbraw/zinc/79/18/16/1174791816.db2.gz MGGDDJALOPXDCT-UHFFFAOYSA-N -1 1 287.323 1.587 20 0 CDADMM O=C([O-])[C@H](c1cccnc1)N1CCC(F)(F)[C@@H](CO)C1 ZINC001601698058 1174951990 /nfs/dbraw/zinc/95/19/90/1174951990.db2.gz HPXVBXDFCKEHIL-MNOVXSKESA-N -1 1 286.278 1.157 20 0 CDADMM O=C([O-])[C@]1(C(F)(F)F)CCN(CCOC(F)F)C1 ZINC001601706945 1174958582 /nfs/dbraw/zinc/95/85/82/1174958582.db2.gz IUGLNERHEDCZTK-QMMMGPOBSA-N -1 1 277.189 1.565 20 0 CDADMM O=C([O-])[C@@H]1CCN1C(=O)c1ccc(Cl)c(O)c1 ZINC001601836349 1175031180 /nfs/dbraw/zinc/03/11/80/1175031180.db2.gz DNMJXWMVJOVQSB-QMMMGPOBSA-N -1 1 255.657 1.345 20 0 CDADMM O=C([O-])CC1(CC(=O)OCc2nnc[nH]2)CCCC1 ZINC001601914799 1175064188 /nfs/dbraw/zinc/06/41/88/1175064188.db2.gz SUKBXIOHBSTEOE-UHFFFAOYSA-N -1 1 267.285 1.273 20 0 CDADMM O=C([O-])CCNC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC001602024163 1175113691 /nfs/dbraw/zinc/11/36/91/1175113691.db2.gz GWGKGBZUZAJFBN-UHFFFAOYSA-N -1 1 283.234 1.705 20 0 CDADMM O=C([O-])c1cc(CN(C2CC2)C2(CO)CCC2)on1 ZINC001602257701 1175184837 /nfs/dbraw/zinc/18/48/37/1175184837.db2.gz YTDUIHGJFIJILD-UHFFFAOYSA-N -1 1 266.297 1.252 20 0 CDADMM O=C([O-])c1ccc(Cl)c(C(=O)Nc2c[nH]nn2)c1 ZINC001602355946 1175223201 /nfs/dbraw/zinc/22/32/01/1175223201.db2.gz IUPUDLAMKMJTHF-UHFFFAOYSA-N -1 1 266.644 1.409 20 0 CDADMM O=C([O-])c1cnc(C2CCN(Cc3c[nH]nn3)CC2)s1 ZINC001602518365 1175266313 /nfs/dbraw/zinc/26/63/13/1175266313.db2.gz KKVIUEFYJKTWSO-UHFFFAOYSA-N -1 1 293.352 1.339 20 0 CDADMM O=C([O-])c1cncc(N[C@H](c2nnc[nH]2)c2ccccc2)n1 ZINC001602542115 1175283591 /nfs/dbraw/zinc/28/35/91/1175283591.db2.gz XULMSWONHXTJMA-LBPRGKRZSA-N -1 1 296.290 1.494 20 0 CDADMM O=C([O-])c1coc(CNC[C@H](O)c2ccco2)c1 ZINC001602555402 1175295968 /nfs/dbraw/zinc/29/59/68/1175295968.db2.gz PIVSCJLJBDSEAU-JTQLQIEISA-N -1 1 251.238 1.394 20 0 CDADMM c1cc(NCCC2=CCCCC2)nc(-c2nn[n-]n2)n1 ZINC001602746471 1175383482 /nfs/dbraw/zinc/38/34/82/1175383482.db2.gz NCQRYEBMZVNPTH-UHFFFAOYSA-N -1 1 271.328 1.381 20 0 CDADMM CC(=O)OCCCSCc1nc(-c2nnn[n-]2)cs1 ZINC001602958544 1175459152 /nfs/dbraw/zinc/45/91/52/1175459152.db2.gz XINWSTSKQVKTJX-UHFFFAOYSA-N -1 1 299.381 1.510 20 0 CDADMM CC(=O)OCCCSCc1nc(-c2nn[n-]n2)cs1 ZINC001602958544 1175459155 /nfs/dbraw/zinc/45/91/55/1175459155.db2.gz XINWSTSKQVKTJX-UHFFFAOYSA-N -1 1 299.381 1.510 20 0 CDADMM CC(C)[C@@H](C)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001603208614 1175514902 /nfs/dbraw/zinc/51/49/02/1175514902.db2.gz KRXCQYVVBMUAPY-SECBINFHSA-N -1 1 274.328 1.170 20 0 CDADMM CC(C)[C@@H](C)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001603208614 1175514907 /nfs/dbraw/zinc/51/49/07/1175514907.db2.gz KRXCQYVVBMUAPY-SECBINFHSA-N -1 1 274.328 1.170 20 0 CDADMM C[C@H](CC1CCC1)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001603462799 1175556461 /nfs/dbraw/zinc/55/64/61/1175556461.db2.gz AEIAPOLRHXWMMO-SECBINFHSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@H](CC1CCC1)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001603462799 1175556464 /nfs/dbraw/zinc/55/64/64/1175556464.db2.gz AEIAPOLRHXWMMO-SECBINFHSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)C(C)(C)O ZINC001603684937 1175598021 /nfs/dbraw/zinc/59/80/21/1175598021.db2.gz BXXJKOLPTHYEDG-SCSAIBSYSA-N -1 1 288.764 1.548 20 0 CDADMM C[C@@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)C(C)(C)O ZINC001603684937 1175598024 /nfs/dbraw/zinc/59/80/24/1175598024.db2.gz BXXJKOLPTHYEDG-SCSAIBSYSA-N -1 1 288.764 1.548 20 0 CDADMM CC1(C)CC(CNC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001603762823 1175622558 /nfs/dbraw/zinc/62/25/58/1175622558.db2.gz PKXJBGXQAFQYAM-UHFFFAOYSA-N -1 1 275.312 1.626 20 0 CDADMM CC1(C)CC(CNC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001603762823 1175622559 /nfs/dbraw/zinc/62/25/59/1175622559.db2.gz PKXJBGXQAFQYAM-UHFFFAOYSA-N -1 1 275.312 1.626 20 0 CDADMM CC1(C)C[C@@H]1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001603766582 1175622960 /nfs/dbraw/zinc/62/29/60/1175622960.db2.gz NQSWZBFRIMNQLP-SSDOTTSWSA-N -1 1 287.327 1.452 20 0 CDADMM CC(C)CN(C(=O)CN[C@H](C(=O)[O-])C1CC1)C1CC1 ZINC001603799167 1175635732 /nfs/dbraw/zinc/63/57/32/1175635732.db2.gz BFBQBWJMHREMQV-ZDUSSCGKSA-N -1 1 268.357 1.086 20 0 CDADMM CC(C)CN1CCN(C(=O)NCC(C)(C)CC(=O)[O-])CC1 ZINC001603815802 1175641770 /nfs/dbraw/zinc/64/17/70/1175641770.db2.gz FPWUHBCKMSLPMX-UHFFFAOYSA-N -1 1 299.415 1.471 20 0 CDADMM CC1=C[C@@H](C)CN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001603826445 1175644836 /nfs/dbraw/zinc/64/48/36/1175644836.db2.gz HECMFJLBZFDZMG-SECBINFHSA-N -1 1 284.323 1.300 20 0 CDADMM CC1=C[C@@H](C)CN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001603826445 1175644839 /nfs/dbraw/zinc/64/48/39/1175644839.db2.gz HECMFJLBZFDZMG-SECBINFHSA-N -1 1 284.323 1.300 20 0 CDADMM C[C@@H]1C[C@@H]1c1ccc(CNc2ccnc(-c3nn[n-]n3)n2)o1 ZINC001603873100 1175663622 /nfs/dbraw/zinc/66/36/22/1175663622.db2.gz WWWALPDPUXXTGF-SCZZXKLOSA-N -1 1 297.322 1.407 20 0 CDADMM C[C@H]1CCC[C@@H](C(=O)Nc2c[nH]nc2-c2nn[n-]n2)C1 ZINC001603884091 1175670082 /nfs/dbraw/zinc/67/00/82/1175670082.db2.gz HGDRGXUDTNHOKZ-JGVFFNPUSA-N -1 1 275.316 1.355 20 0 CDADMM C[C@H]1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001603903334 1175676639 /nfs/dbraw/zinc/67/66/39/1175676639.db2.gz KTXVABJQUHBEQJ-DTWKUNHWSA-N -1 1 275.312 1.578 20 0 CDADMM C[C@H]1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001603903334 1175676642 /nfs/dbraw/zinc/67/66/42/1175676642.db2.gz KTXVABJQUHBEQJ-DTWKUNHWSA-N -1 1 275.312 1.578 20 0 CDADMM C[C@@H]1[C@@H](C)CN1C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001603925283 1175687507 /nfs/dbraw/zinc/68/75/07/1175687507.db2.gz YPILPMNRTFAHGX-JGVFFNPUSA-N -1 1 273.300 1.134 20 0 CDADMM C[C@@H]1[C@@H](C)CN1C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001603925283 1175687510 /nfs/dbraw/zinc/68/75/10/1175687510.db2.gz YPILPMNRTFAHGX-JGVFFNPUSA-N -1 1 273.300 1.134 20 0 CDADMM C[C@H]1Oc2ccccc2[C@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001603956213 1175696598 /nfs/dbraw/zinc/69/65/98/1175696598.db2.gz OVYGZZFEPHMVOW-OTYXRUKQSA-N -1 1 294.318 1.618 20 0 CDADMM C[C@H]1Oc2ccccc2[C@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001603956213 1175696602 /nfs/dbraw/zinc/69/66/02/1175696602.db2.gz OVYGZZFEPHMVOW-OTYXRUKQSA-N -1 1 294.318 1.618 20 0 CDADMM C/C=C(/C)COC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001603962626 1175701964 /nfs/dbraw/zinc/70/19/64/1175701964.db2.gz LVIQEOZRJAXNRQ-OQFOIZHKSA-N -1 1 273.296 1.314 20 0 CDADMM C/C=C(/C)COC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001603962626 1175701969 /nfs/dbraw/zinc/70/19/69/1175701969.db2.gz LVIQEOZRJAXNRQ-OQFOIZHKSA-N -1 1 273.296 1.314 20 0 CDADMM CC[C@@H](C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001603999609 1175714884 /nfs/dbraw/zinc/71/48/84/1175714884.db2.gz FIGGNAUPPFVGJV-SSDOTTSWSA-N -1 1 277.332 1.283 20 0 CDADMM CC[C@@H](C)CC(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001603999609 1175714890 /nfs/dbraw/zinc/71/48/90/1175714890.db2.gz FIGGNAUPPFVGJV-SSDOTTSWSA-N -1 1 277.332 1.283 20 0 CDADMM CC[C@H](C)CCNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001604004570 1175716998 /nfs/dbraw/zinc/71/69/98/1175716998.db2.gz IRLCNLTXXPXZFT-VIFPVBQESA-N -1 1 274.328 1.428 20 0 CDADMM CC[C@H](C)CCNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001604004570 1175717003 /nfs/dbraw/zinc/71/70/03/1175717003.db2.gz IRLCNLTXXPXZFT-VIFPVBQESA-N -1 1 274.328 1.428 20 0 CDADMM CC(C)c1noc(CN[C@@](C)(CC(=O)[O-])C2CC2)n1 ZINC001604027510 1175726397 /nfs/dbraw/zinc/72/63/97/1175726397.db2.gz HMTNCTLXMRAWIA-ZDUSSCGKSA-N -1 1 267.329 1.926 20 0 CDADMM CCc1c(C)[n-]n(-c2ccc(-c3nn[nH]n3)cn2)c1=O ZINC001604096860 1175759045 /nfs/dbraw/zinc/75/90/45/1175759045.db2.gz KIFYDLQQXNKJHP-VIFPVBQESA-N -1 1 271.284 1.010 20 0 CDADMM CC[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)CCS1 ZINC001604111868 1175768826 /nfs/dbraw/zinc/76/88/26/1175768826.db2.gz LTFBRPKEBLXNQQ-SECBINFHSA-N -1 1 291.384 1.297 20 0 CDADMM CC[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)CCS1 ZINC001604111868 1175768833 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Cc1c(-c2ccccc2)[n-]n([C@H]2CCS(=O)(=O)C2)c1=O ZINC000128118676 424456805 /nfs/dbraw/zinc/45/68/05/424456805.db2.gz ILCQKQGTYJNOSE-JQWIXIFHSA-N -1 1 292.360 1.056 20 0 CDADMM Cc1oc(CN(C)CCOC[C@H]2CCCO2)cc1C(=O)[O-] ZINC000652454151 424451096 /nfs/dbraw/zinc/45/10/96/424451096.db2.gz CNHZHLLPSTUFJU-GFCCVEGCSA-N -1 1 297.351 1.914 20 0 CDADMM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1cn(-c2ccccc2)nn1 ZINC000652503985 424502387 /nfs/dbraw/zinc/50/23/87/424502387.db2.gz MBWYKJDNTWQZME-SMDDNHRTSA-N -1 1 286.335 1.562 20 0 CDADMM CO[C@@H](Cc1ccccc1)CN1CCOC[C@@H]1CC(=O)[O-] ZINC000652475423 424467483 /nfs/dbraw/zinc/46/74/83/424467483.db2.gz UNFRRMPKRMGMNL-GJZGRUSLSA-N -1 1 293.363 1.420 20 0 CDADMM Cc1cc(CN2CCCO[C@H](C)C2)oc1C(=O)[O-] ZINC000061919435 424468213 /nfs/dbraw/zinc/46/82/13/424468213.db2.gz SYGVWMYNXJOOKT-SNVBAGLBSA-N -1 1 253.298 1.897 20 0 CDADMM Cc1cc(CN2CCCO[C@@H](C)C2)oc1C(=O)[O-] ZINC000061919436 424468399 /nfs/dbraw/zinc/46/83/99/424468399.db2.gz SYGVWMYNXJOOKT-JTQLQIEISA-N -1 1 253.298 1.897 20 0 CDADMM CCC(CC)(C(=O)[O-])C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000653295282 424472157 /nfs/dbraw/zinc/47/21/57/424472157.db2.gz KZFYZKONPZUJMT-JTQLQIEISA-N -1 1 279.340 1.794 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccc2cncn2c1 ZINC000653318703 424564125 /nfs/dbraw/zinc/56/41/25/424564125.db2.gz VXPSOSCTHDIYRL-BXKDBHETSA-N -1 1 273.292 1.412 20 0 CDADMM Cc1[n-]n(-c2cccc(S(C)(=O)=O)c2)c(=O)c1F ZINC000871954221 620636596 /nfs/dbraw/zinc/63/65/96/620636596.db2.gz LOECRRLBTZYURN-JTQLQIEISA-N -1 1 270.285 1.151 20 0 CDADMM CC1(CNC(=O)c2ccc(-c3nnn[n-]3)o2)CCC1 ZINC001590131786 1173267409 /nfs/dbraw/zinc/26/74/09/1173267409.db2.gz FPFIFVSWQDZOJW-UHFFFAOYSA-N -1 1 261.285 1.380 20 0 CDADMM CC1(CNC(=O)c2ccc(-c3nn[n-]n3)o2)CCC1 ZINC001590131786 1173267412 /nfs/dbraw/zinc/26/74/12/1173267412.db2.gz FPFIFVSWQDZOJW-UHFFFAOYSA-N -1 1 261.285 1.380 20 0 CDADMM C[C@]1(CNc2ccc(-c3nnn[n-]3)nn2)C[C@H]2C[C@H]2C1 ZINC001590136404 1173269880 /nfs/dbraw/zinc/26/98/80/1173269880.db2.gz VDAJCENRSRMREC-WOFXILAISA-N -1 1 271.328 1.505 20 0 CDADMM C[C@]1(CNc2ccc(-c3nn[n-]n3)nn2)C[C@H]2C[C@H]2C1 ZINC001590136404 1173269887 /nfs/dbraw/zinc/26/98/87/1173269887.db2.gz VDAJCENRSRMREC-WOFXILAISA-N -1 1 271.328 1.505 20 0 CDADMM C[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCS1 ZINC001590212706 1173294255 /nfs/dbraw/zinc/29/42/55/1173294255.db2.gz SZPBEQJYKUKOPJ-YUMQZZPRSA-N -1 1 277.357 1.353 20 0 CDADMM C[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCS1 ZINC001590212706 1173294264 /nfs/dbraw/zinc/29/42/64/1173294264.db2.gz SZPBEQJYKUKOPJ-YUMQZZPRSA-N -1 1 277.357 1.353 20 0 CDADMM C[C@@H]1CCC[C@@H]1CC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590248498 1173316325 /nfs/dbraw/zinc/31/63/25/1173316325.db2.gz OOHAXXQCDBMJPH-HTQZYQBOSA-N -1 1 275.316 1.355 20 0 CDADMM C[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)[C@@H]1C ZINC001590261411 1173324308 /nfs/dbraw/zinc/32/43/08/1173324308.db2.gz PJRMUAPBGSVIPY-RKDXNWHRSA-N -1 1 275.312 1.720 20 0 CDADMM C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)o2)[C@@H]1C ZINC001590261411 1173324314 /nfs/dbraw/zinc/32/43/14/1173324314.db2.gz PJRMUAPBGSVIPY-RKDXNWHRSA-N -1 1 275.312 1.720 20 0 CDADMM C[C@@H]1CN=C(NC(=O)c2csc(-c3nn[n-]n3)c2)S1 ZINC001590322316 1173354771 /nfs/dbraw/zinc/35/47/71/1173354771.db2.gz ZWINXFCEJJGEMB-RXMQYKEDSA-N -1 1 294.365 1.149 20 0 CDADMM C/C=C\C[C@@H](CO)Nc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001590350987 1173367021 /nfs/dbraw/zinc/36/70/21/1173367021.db2.gz CHGGCCQLFLVACX-XOULXFPDSA-N -1 1 274.328 1.309 20 0 CDADMM C/C=C\C[C@@H](CO)Nc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001590350987 1173367026 /nfs/dbraw/zinc/36/70/26/1173367026.db2.gz CHGGCCQLFLVACX-XOULXFPDSA-N -1 1 274.328 1.309 20 0 CDADMM O=C([N-]c1nncn1Cc1ccccc1)c1cnns1 ZINC000117737330 279347059 /nfs/dbraw/zinc/34/70/59/279347059.db2.gz OKWSOBYXFDDPGZ-UHFFFAOYSA-N -1 1 286.320 1.430 20 0 CDADMM CCOCCO[C@H]1CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000124514338 279718898 /nfs/dbraw/zinc/71/88/98/279718898.db2.gz VVWINIFNQDUAQP-LBPRGKRZSA-N -1 1 297.326 1.799 20 0 CDADMM Cc1ccc(NC(=O)CN(C)C(=O)c2ncccc2[O-])cc1 ZINC000194657083 280046841 /nfs/dbraw/zinc/04/68/41/280046841.db2.gz PBPKEXRCKIEFHZ-UHFFFAOYSA-N -1 1 299.330 1.806 20 0 CDADMM O=C(NC[C@@H](O)C(F)F)c1cc(Cl)ccc1[O-] ZINC000220128460 280092607 /nfs/dbraw/zinc/09/26/07/280092607.db2.gz QZGTYJHGTPGLKN-MRVPVSSYSA-N -1 1 265.643 1.401 20 0 CDADMM Cc1c2cc(F)ccc2oc1C(=O)Nc1nn[n-]n1 ZINC000342857593 280265078 /nfs/dbraw/zinc/26/50/78/280265078.db2.gz VUZZJSSBPIWLPM-UHFFFAOYSA-N -1 1 261.216 1.646 20 0 CDADMM CC[C@@H]1CCN(c2nc(-c3nn[n-]n3)ccc2C)C1 ZINC001590514965 1173446436 /nfs/dbraw/zinc/44/64/36/1173446436.db2.gz RRLPPSDTIACOSA-SNVBAGLBSA-N -1 1 258.329 1.806 20 0 CDADMM CCn1cc(CN(C)C(=O)c2ncccc2[O-])cn1 ZINC000547979276 289825376 /nfs/dbraw/zinc/82/53/76/289825376.db2.gz IJXKAKLMSKOVIH-UHFFFAOYSA-N -1 1 260.297 1.276 20 0 CDADMM O=C(Nc1nnc(C2CC2)s1)C(=O)c1ccc([O-])cc1 ZINC000554493466 290163803 /nfs/dbraw/zinc/16/38/03/290163803.db2.gz JAGTYZBGHSBZOF-UHFFFAOYSA-N -1 1 289.316 1.943 20 0 CDADMM c1ccc(-c2n[n-]c(=NCCN3CCC3)s2)nc1 ZINC000554680447 290187725 /nfs/dbraw/zinc/18/77/25/290187725.db2.gz XBZXDEBJUXJJMC-UHFFFAOYSA-N -1 1 261.354 1.140 20 0 CDADMM O=C(N[C@@H]1C[C@@H]2CCCCN2C1=O)c1c([O-])cccc1F ZINC000556696184 290283438 /nfs/dbraw/zinc/28/34/38/290283438.db2.gz XRTQAGXRNGIDEC-GXSJLCMTSA-N -1 1 292.310 1.415 20 0 CDADMM CCC[C@@H](C)C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001590548004 1173456765 /nfs/dbraw/zinc/45/67/65/1173456765.db2.gz KRJLFPHUDUZCOB-MRVPVSSYSA-N -1 1 290.327 1.645 20 0 CDADMM CN(CCC(=O)[O-])c1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000561087702 293048864 /nfs/dbraw/zinc/04/88/64/293048864.db2.gz PIBNDKBWMUOZLT-UHFFFAOYSA-N -1 1 289.217 1.283 20 0 CDADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cnc[nH]2)ccc1C ZINC000562236380 293119506 /nfs/dbraw/zinc/11/95/06/293119506.db2.gz GXTXHODOFIMEHC-UHFFFAOYSA-N -1 1 295.320 1.306 20 0 CDADMM O=C(NC1(c2nn[n-]n2)CC1)c1cccc2c1CCCC2 ZINC000562707032 293179879 /nfs/dbraw/zinc/17/98/79/293179879.db2.gz KEVVXFIWCNFHHO-UHFFFAOYSA-N -1 1 283.335 1.498 20 0 CDADMM O=C(N[C@@H]1CCO[C@H](c2ccncc2)C1)c1ncccc1[O-] ZINC000562941105 293221431 /nfs/dbraw/zinc/22/14/31/293221431.db2.gz VCUKWKRBYAJVSD-OCCSQVGLSA-N -1 1 299.330 1.832 20 0 CDADMM CCC[C@H](CC)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590553254 1173460860 /nfs/dbraw/zinc/46/08/60/1173460860.db2.gz BNJBMPMWFNLUBE-JTQLQIEISA-N -1 1 274.328 1.570 20 0 CDADMM CCC[C@H](CC)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590553254 1173460867 /nfs/dbraw/zinc/46/08/67/1173460867.db2.gz BNJBMPMWFNLUBE-JTQLQIEISA-N -1 1 274.328 1.570 20 0 CDADMM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCN(C2CCC2)CC1 ZINC000563209439 293312123 /nfs/dbraw/zinc/31/21/23/293312123.db2.gz ARGODTYUHZWOAR-GFCCVEGCSA-N -1 1 268.357 1.040 20 0 CDADMM O=C([O-])C[C@H]1CCCN1Cc1cn(-c2ccccc2)nn1 ZINC000563280698 293332511 /nfs/dbraw/zinc/33/25/11/293332511.db2.gz GOKLGCGAQJKKNH-CQSZACIVSA-N -1 1 286.335 1.706 20 0 CDADMM CCO[C@H]1C[C@H]1NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000568947057 294126567 /nfs/dbraw/zinc/12/65/67/294126567.db2.gz QDWPLTRNXHOFEK-SFYZADRCSA-N -1 1 283.353 1.120 20 0 CDADMM O=C([O-])c1coc(=NC[C@]2(CO)C[C@H]2c2ccccc2)[nH]1 ZINC000570335763 294218943 /nfs/dbraw/zinc/21/89/43/294218943.db2.gz MYBCUBRYESQVLT-NHYWBVRUSA-N -1 1 288.303 1.373 20 0 CDADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCC(C)(C)C ZINC000573463412 294824612 /nfs/dbraw/zinc/82/46/12/294824612.db2.gz ILFMCAAGQSMBBE-UHFFFAOYSA-N -1 1 283.328 1.453 20 0 CDADMM CCCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001590619818 1173479316 /nfs/dbraw/zinc/47/93/16/1173479316.db2.gz IAAJDFYRIFIONC-UHFFFAOYSA-N -1 1 258.738 1.823 20 0 CDADMM O=C([O-])c1cccc2c1CCN(C[C@H]1COCCO1)C2 ZINC000574703258 295041975 /nfs/dbraw/zinc/04/19/75/295041975.db2.gz BEOBNFJUVHNZCX-LBPRGKRZSA-N -1 1 277.320 1.158 20 0 CDADMM O=C([O-])c1ccccc1CN1CCOC[C@H]1C1CC1 ZINC000574995860 295086791 /nfs/dbraw/zinc/08/67/91/295086791.db2.gz LCCATEOLMAKPKQ-AWEZNQCLSA-N -1 1 261.321 1.996 20 0 CDADMM CCON(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001590817897 1173523072 /nfs/dbraw/zinc/52/30/72/1173523072.db2.gz NYEDVEZPXBJACN-UHFFFAOYSA-N -1 1 260.710 1.364 20 0 CDADMM CCON(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590817897 1173523078 /nfs/dbraw/zinc/52/30/78/1173523078.db2.gz NYEDVEZPXBJACN-UHFFFAOYSA-N -1 1 260.710 1.364 20 0 CDADMM Cc1cc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])n[nH]1 ZINC000070378714 301117680 /nfs/dbraw/zinc/11/76/80/301117680.db2.gz VTCYCQXCUYCCKJ-CYBMUJFWSA-N -1 1 285.303 1.542 20 0 CDADMM CCn1ccc(NCc2csc(-c3nn[n-]n3)c2)n1 ZINC001590959353 1173548849 /nfs/dbraw/zinc/54/88/49/1173548849.db2.gz CUCIUEPNEWRUNA-UHFFFAOYSA-N -1 1 275.341 1.757 20 0 CDADMM CO[C@@H](C)CC(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001591320793 1173606642 /nfs/dbraw/zinc/60/66/42/1173606642.db2.gz KRXXYGXARCDZOI-LURJTMIESA-N -1 1 296.356 1.019 20 0 CDADMM CO[C@@H](C)CC(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001591320793 1173606646 /nfs/dbraw/zinc/60/66/46/1173606646.db2.gz KRXXYGXARCDZOI-LURJTMIESA-N -1 1 296.356 1.019 20 0 CDADMM COC1(CNC(=O)c2ccc(-c3nnn[n-]3)o2)CCCC1 ZINC001591342251 1173621071 /nfs/dbraw/zinc/62/10/71/1173621071.db2.gz KBFHKYVIYYFYFZ-UHFFFAOYSA-N -1 1 291.311 1.149 20 0 CDADMM COC1(CNC(=O)c2ccc(-c3nn[n-]n3)o2)CCCC1 ZINC001591342251 1173621077 /nfs/dbraw/zinc/62/10/77/1173621077.db2.gz KBFHKYVIYYFYFZ-UHFFFAOYSA-N -1 1 291.311 1.149 20 0 CDADMM CO[C@H]1CC[C@H]1N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591355811 1173627021 /nfs/dbraw/zinc/62/70/21/1173627021.db2.gz WMFKMYVXZKRHHF-SFYZADRCSA-N -1 1 293.352 1.178 20 0 CDADMM CO[C@H]1CC[C@H]1N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591355811 1173627026 /nfs/dbraw/zinc/62/70/26/1173627026.db2.gz WMFKMYVXZKRHHF-SFYZADRCSA-N -1 1 293.352 1.178 20 0 CDADMM CSC1(C(=O)Nc2ncc(-c3nnn[n-]3)s2)CC1 ZINC001591690877 1173681174 /nfs/dbraw/zinc/68/11/74/1173681174.db2.gz VKCGBFDBTGYBMO-UHFFFAOYSA-N -1 1 282.354 1.157 20 0 CDADMM CSC1(C(=O)Nc2ncc(-c3nn[n-]n3)s2)CC1 ZINC001591690877 1173681179 /nfs/dbraw/zinc/68/11/79/1173681179.db2.gz VKCGBFDBTGYBMO-UHFFFAOYSA-N -1 1 282.354 1.157 20 0 CDADMM CS[C@H]1CC[C@@H](Nc2cc(-c3nnn[n-]3)nc(C)n2)C1 ZINC001591691240 1173681188 /nfs/dbraw/zinc/68/11/88/1173681188.db2.gz XMHLYVXKZPVMPG-BDAKNGLRSA-N -1 1 291.384 1.661 20 0 CDADMM CS[C@H]1CC[C@@H](Nc2cc(-c3nn[n-]n3)nc(C)n2)C1 ZINC001591691240 1173681192 /nfs/dbraw/zinc/68/11/92/1173681192.db2.gz XMHLYVXKZPVMPG-BDAKNGLRSA-N -1 1 291.384 1.661 20 0 CDADMM CSCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001591698112 1173686187 /nfs/dbraw/zinc/68/61/87/1173686187.db2.gz LEDCFFDSOGHFKR-UHFFFAOYSA-N -1 1 291.384 1.236 20 0 CDADMM CSCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001591698112 1173686190 /nfs/dbraw/zinc/68/61/90/1173686190.db2.gz LEDCFFDSOGHFKR-UHFFFAOYSA-N -1 1 291.384 1.236 20 0 CDADMM CSC[C@@H]1CCCN1c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591697848 1173686961 /nfs/dbraw/zinc/68/69/61/1173686961.db2.gz YBZOVZFKIQZQCB-VIFPVBQESA-N -1 1 291.384 1.297 20 0 CDADMM CSC[C@@H]1CCCN1c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591697848 1173686966 /nfs/dbraw/zinc/68/69/66/1173686966.db2.gz YBZOVZFKIQZQCB-VIFPVBQESA-N -1 1 291.384 1.297 20 0 CDADMM CSCC[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001591699871 1173688607 /nfs/dbraw/zinc/68/86/07/1173688607.db2.gz LAWAMTXQNZNNIJ-MRVPVSSYSA-N -1 1 293.352 1.560 20 0 CDADMM CSCC[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001591699871 1173688612 /nfs/dbraw/zinc/68/86/12/1173688612.db2.gz LAWAMTXQNZNNIJ-MRVPVSSYSA-N -1 1 293.352 1.560 20 0 CDADMM C[C@H](NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001591768576 1173695925 /nfs/dbraw/zinc/69/59/25/1173695925.db2.gz GXROMTRAIUIORT-LURJTMIESA-N -1 1 293.277 1.673 20 0 CDADMM C[C@H](NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)C1CC1 ZINC001591768576 1173695928 /nfs/dbraw/zinc/69/59/28/1173695928.db2.gz GXROMTRAIUIORT-LURJTMIESA-N -1 1 293.277 1.673 20 0 CDADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3nc[nH]n3)no2)c1 ZINC000350571222 316179404 /nfs/dbraw/zinc/17/94/04/316179404.db2.gz PIXJYUAJKQTDGS-UHFFFAOYSA-N -1 1 286.251 1.186 20 0 CDADMM C[C@H]1C[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)CC(=O)N1 ZINC000350842377 316212078 /nfs/dbraw/zinc/21/20/78/316212078.db2.gz YITVLGRYFWJOJB-IONNQARKSA-N -1 1 291.282 1.963 20 0 CDADMM CCc1nc(SCc2ncnn2C)[n-]c(=O)c1C ZINC000564226629 316438549 /nfs/dbraw/zinc/43/85/49/316438549.db2.gz DJRZVYHLFKJWSO-UHFFFAOYSA-N -1 1 265.342 1.474 20 0 CDADMM O=S1(=O)CCN(Cc2ncccc2[O-])CCC12CCC2 ZINC000566428387 316581855 /nfs/dbraw/zinc/58/18/55/316581855.db2.gz FAVIODWDJHIONB-UHFFFAOYSA-N -1 1 296.392 1.330 20 0 CDADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CCCC(F)(F)C1 ZINC000575604558 317000557 /nfs/dbraw/zinc/00/05/57/317000557.db2.gz YBZMTCVEYZBIPH-SSDOTTSWSA-N -1 1 295.311 1.252 20 0 CDADMM Cc1o[n-]c(=N)c1S(=O)(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000575604558 317000560 /nfs/dbraw/zinc/00/05/60/317000560.db2.gz YBZMTCVEYZBIPH-SSDOTTSWSA-N -1 1 295.311 1.252 20 0 CDADMM O=C(Cc1cccc(Cl)c1F)NC1(c2nn[n-]n2)CC1 ZINC000577382210 317319245 /nfs/dbraw/zinc/31/92/45/317319245.db2.gz BCHCDUXNFIPSIC-UHFFFAOYSA-N -1 1 295.705 1.340 20 0 CDADMM Cc1ccc(NC[C@@H]2CCC=CO2)c(-c2nnn[n-]2)n1 ZINC001592182811 1173824752 /nfs/dbraw/zinc/82/47/52/1173824752.db2.gz AKGVFIAHGIJRQG-JTQLQIEISA-N -1 1 272.312 1.675 20 0 CDADMM Cc1ccc(NC[C@@H]2CCC=CO2)c(-c2nn[n-]n2)n1 ZINC001592182811 1173824757 /nfs/dbraw/zinc/82/47/57/1173824757.db2.gz AKGVFIAHGIJRQG-JTQLQIEISA-N -1 1 272.312 1.675 20 0 CDADMM CC(C)CC1(C(=O)N(C)C[C@H](C)c2nn[n-]n2)CCC1 ZINC000183408026 323334397 /nfs/dbraw/zinc/33/43/97/323334397.db2.gz VYGOFNROPONTSM-NSHDSACASA-N -1 1 279.388 1.978 20 0 CDADMM CO[C@@H](CC(C)C)CN1CCO[C@H](CC(=O)[O-])C1 ZINC000578875232 324045541 /nfs/dbraw/zinc/04/55/41/324045541.db2.gz LORFNPCQMFIHQG-NWDGAFQWSA-N -1 1 259.346 1.223 20 0 CDADMM O=C([O-])c1coc(=N[C@@H]2CCC[C@@H]3OCC[C@H]32)[nH]1 ZINC000579130046 324115846 /nfs/dbraw/zinc/11/58/46/324115846.db2.gz YXQIVDNIPPMERK-XKSSXDPKSA-N -1 1 252.270 1.164 20 0 CDADMM Cc1nsc(N2CC[C@@H]3COC[C@@H]3C2)c1-c1nn[n-]n1 ZINC001592475211 1173898791 /nfs/dbraw/zinc/89/87/91/1173898791.db2.gz VANSQYUPEIKEPB-BDAKNGLRSA-N -1 1 292.368 1.104 20 0 CDADMM 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CDADMM Cc1cc(CNC(=O)Nc2cccc(CC(=O)[O-])c2)[nH]n1 ZINC000738233040 574489810 /nfs/dbraw/zinc/48/98/10/574489810.db2.gz KBTAXCLBYHGMRS-UHFFFAOYSA-N -1 1 288.307 1.667 20 0 CDADMM O=C(NCc1nc(-c2ccccc2)n[nH]1)c1ncccc1O ZINC000726799016 574506750 /nfs/dbraw/zinc/50/67/50/574506750.db2.gz QSDHYJFSMMPMHN-UHFFFAOYSA-N -1 1 295.302 1.502 20 0 CDADMM O=C([O-])c1coc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000740267296 574580045 /nfs/dbraw/zinc/58/00/45/574580045.db2.gz GVJNDSQGPXKAEA-ZIAGYGMSSA-N -1 1 294.351 1.009 20 0 CDADMM c1ccc(CCCNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC000738429258 574581613 /nfs/dbraw/zinc/58/16/13/574581613.db2.gz WPTMCQGEBKQQII-UHFFFAOYSA-N -1 1 281.323 1.701 20 0 CDADMM c1ccc(CCCNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC000738429258 574581616 /nfs/dbraw/zinc/58/16/16/574581616.db2.gz WPTMCQGEBKQQII-UHFFFAOYSA-N -1 1 281.323 1.701 20 0 CDADMM O=C([O-])c1sccc1CNCC(=O)NC1CCCCC1 ZINC001601326925 1174834086 /nfs/dbraw/zinc/83/40/86/1174834086.db2.gz CFLGULQFLZQRIV-UHFFFAOYSA-N -1 1 296.392 1.985 20 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C[C@H](CCc1ccco1)Nc1nccnc1-c1nnn[n-]1 ZINC000735994465 575547523 /nfs/dbraw/zinc/54/75/23/575547523.db2.gz YUXBLWGFYIUOQL-SECBINFHSA-N -1 1 285.311 1.683 20 0 CDADMM C[C@H](CCc1ccco1)Nc1nccnc1-c1nn[n-]n1 ZINC000735994465 575547527 /nfs/dbraw/zinc/54/75/27/575547527.db2.gz YUXBLWGFYIUOQL-SECBINFHSA-N -1 1 285.311 1.683 20 0 CDADMM C[C@@H](O)CCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736143826 575577379 /nfs/dbraw/zinc/57/73/79/575577379.db2.gz LDXKLXCSERABBG-ZCFIWIBFSA-N -1 1 268.708 1.098 20 0 CDADMM C[C@@H](O)CCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736143826 575577380 /nfs/dbraw/zinc/57/73/80/575577380.db2.gz LDXKLXCSERABBG-ZCFIWIBFSA-N -1 1 268.708 1.098 20 0 CDADMM C/C=C\C[C@H](CO)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000771614097 575596843 /nfs/dbraw/zinc/59/68/43/575596843.db2.gz WRYSITNIPRXKRB-ISALQUGTSA-N -1 1 293.367 1.671 20 0 CDADMM CO[C@H](CNC(=O)c1c([O-])cccc1F)C(F)(F)F ZINC000772063855 575657337 /nfs/dbraw/zinc/65/73/37/575657337.db2.gz LLELQWJXOHYTQK-MRVPVSSYSA-N -1 1 281.205 1.838 20 0 CDADMM CC(C)N(CCC(=O)[O-])CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000736468459 575670679 /nfs/dbraw/zinc/67/06/79/575670679.db2.gz QANCTEUISBYFRV-OAHLLOKOSA-N -1 1 298.383 1.550 20 0 CDADMM CCN(CC)C(=S)Sc1nccnc1-c1nn[n-]n1 ZINC000736535323 575683001 /nfs/dbraw/zinc/68/30/01/575683001.db2.gz WSWBQMXSIYZDJC-UHFFFAOYSA-N -1 1 295.397 1.376 20 0 CDADMM Cc1nonc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000736668954 575713252 /nfs/dbraw/zinc/71/32/52/575713252.db2.gz MYGCTCKGMORNFA-UHFFFAOYSA-N -1 1 285.263 1.726 20 0 CDADMM CCc1cc(CNc2cccc(-c3nnn[n-]3)n2)on1 ZINC000736676054 575715383 /nfs/dbraw/zinc/71/53/83/575715383.db2.gz PHFADDPPRSVVDB-UHFFFAOYSA-N -1 1 271.284 1.424 20 0 CDADMM CCc1cc(CNc2cccc(-c3nn[n-]n3)n2)on1 ZINC000736676054 575715384 /nfs/dbraw/zinc/71/53/84/575715384.db2.gz PHFADDPPRSVVDB-UHFFFAOYSA-N -1 1 271.284 1.424 20 0 CDADMM Cc1ccsc1C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773158374 575786530 /nfs/dbraw/zinc/78/65/30/575786530.db2.gz NTMHLZGRGAOXRT-QMMMGPOBSA-N -1 1 295.393 1.500 20 0 CDADMM Cc1ccc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)o1 ZINC000773160646 575787009 /nfs/dbraw/zinc/78/70/09/575787009.db2.gz VEUVKIOUUVWUEG-QMMMGPOBSA-N -1 1 279.325 1.031 20 0 CDADMM O=C(COC(=O)c1ccc([O-])cc1F)NC1CCCC1 ZINC000773567459 575801790 /nfs/dbraw/zinc/80/17/90/575801790.db2.gz UZTVKGZVLPGWHM-UHFFFAOYSA-N -1 1 281.283 1.747 20 0 CDADMM Cc1ccc([C@H](O)CNC(=O)c2c([O-])cccc2F)o1 ZINC000773358626 575803943 /nfs/dbraw/zinc/80/39/43/575803943.db2.gz ISLWBXRBCNKFGG-LLVKDONJSA-N -1 1 279.267 1.896 20 0 CDADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H]2C=CCCC2)co1 ZINC000756400540 575804204 /nfs/dbraw/zinc/80/42/04/575804204.db2.gz AUMQRXRGPQRFBT-SNVBAGLBSA-N -1 1 285.321 1.453 20 0 CDADMM CCN1CCCC[C@H]1C(=O)NC1CCN(C(=O)[O-])CC1 ZINC000737114959 575827262 /nfs/dbraw/zinc/82/72/62/575827262.db2.gz NNOPJGIEQBOIBP-LBPRGKRZSA-N -1 1 283.372 1.119 20 0 CDADMM CC(C)[C@H](C)NC(=O)COC(=O)c1ccc([O-])cc1F ZINC000773574738 575827382 /nfs/dbraw/zinc/82/73/82/575827382.db2.gz VXNYXXYMHQOWDG-VIFPVBQESA-N -1 1 283.299 1.849 20 0 CDADMM Cn1cncc1CCNC(=O)c1c([O-])cccc1Cl ZINC000773827785 575839787 /nfs/dbraw/zinc/83/97/87/575839787.db2.gz WUIPFQNHRFZSES-UHFFFAOYSA-N -1 1 279.727 1.752 20 0 CDADMM C[C@@H](CNC(=O)c1ccc2n[n-]c(=S)n2c1)C[C@H](C)O ZINC000773988169 575846933 /nfs/dbraw/zinc/84/69/33/575846933.db2.gz QGPHCTKLGQZVKJ-BDAKNGLRSA-N -1 1 294.380 1.155 20 0 CDADMM C[C@H](CN(C)C(=O)[C@H](F)c1ccccc1)c1nn[n-]n1 ZINC000774000295 575847650 /nfs/dbraw/zinc/84/76/50/575847650.db2.gz LBHAKMLTJBECRU-MWLCHTKSSA-N -1 1 277.303 1.472 20 0 CDADMM Cc1ccc(F)c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737344337 575944231 /nfs/dbraw/zinc/94/42/31/575944231.db2.gz DTLJYHHWXZFXEC-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1ccc(F)c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737344337 575944235 /nfs/dbraw/zinc/94/42/35/575944235.db2.gz DTLJYHHWXZFXEC-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM CN1CCC[C@@H]1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000737520926 575982554 /nfs/dbraw/zinc/98/25/54/575982554.db2.gz 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/nfs/dbraw/zinc/13/48/90/576134890.db2.gz QTFYQAPQVBISJF-UHFFFAOYSA-N -1 1 289.242 1.685 20 0 CDADMM CCc1cc(=O)[n-]c(SCCN2CCOC2=O)n1 ZINC000767063590 576157064 /nfs/dbraw/zinc/15/70/64/576157064.db2.gz PNSXWAMVPDCHCZ-UHFFFAOYSA-N -1 1 269.326 1.289 20 0 CDADMM O=C([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000768767563 576307045 /nfs/dbraw/zinc/30/70/45/576307045.db2.gz INELGEBXFKLCEZ-SNVBAGLBSA-N -1 1 279.292 1.170 20 0 CDADMM CCc1nc(COC(=O)c2cc(F)c([O-])c(F)c2)n[nH]1 ZINC000759541996 576400530 /nfs/dbraw/zinc/40/05/30/576400530.db2.gz RJKSCXQTUQFFNN-UHFFFAOYSA-N -1 1 283.234 1.708 20 0 CDADMM O=C(NOCC(F)F)c1c([O-])cccc1Cl ZINC000760152052 576462326 /nfs/dbraw/zinc/46/23/26/576462326.db2.gz ZSVYQLIIVSUYME-UHFFFAOYSA-N -1 1 251.616 1.972 20 0 CDADMM COCCn1c(=O)cc([O-])nc1SCC1CCC1 ZINC000753822648 576860946 /nfs/dbraw/zinc/86/09/46/576860946.db2.gz XDQVWXLICQSFED-UHFFFAOYSA-N -1 1 270.354 1.488 20 0 CDADMM COCCn1c(=O)cc([O-])nc1SCCC(C)C ZINC000754278359 576889862 /nfs/dbraw/zinc/88/98/62/576889862.db2.gz BJGJGMGWWAGVGZ-UHFFFAOYSA-N -1 1 272.370 1.734 20 0 CDADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccc[n+]1[O-] ZINC000749563548 576952624 /nfs/dbraw/zinc/95/26/24/576952624.db2.gz VEGLPSBYUHQLMG-UHFFFAOYSA-N -1 1 264.668 1.931 20 0 CDADMM Cc1cnoc1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000758345400 577100213 /nfs/dbraw/zinc/10/02/13/577100213.db2.gz NEBOJEOHQJUKMM-UHFFFAOYSA-N -1 1 288.259 1.096 20 0 CDADMM O=C([C@@H]1CC1(Cl)Cl)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000752913420 577133887 /nfs/dbraw/zinc/13/38/87/577133887.db2.gz NDUDIVRGUJSGRR-BQBZGAKWSA-N -1 1 290.154 1.100 20 0 CDADMM CCO[C@@H]1C[C@H]([N-]C(=O)C(F)(F)C(F)F)[C@@]12CCCO2 ZINC000759243203 577163326 /nfs/dbraw/zinc/16/33/26/577163326.db2.gz BWLBDWOYKPDENP-RNSXUZJQSA-N -1 1 299.264 1.730 20 0 CDADMM O=C([O-])[C@H]1CSCCN(CN2CCC3(CCC3)C2=O)C1 ZINC001601858090 1175040038 /nfs/dbraw/zinc/04/00/38/1175040038.db2.gz XFTUYTKPMIZGLA-LLVKDONJSA-N -1 1 298.408 1.096 20 0 CDADMM O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])no2)C1 ZINC001601976742 1175094592 /nfs/dbraw/zinc/09/45/92/1175094592.db2.gz QAOZGVPSXAOQGN-VIFPVBQESA-N -1 1 282.296 1.450 20 0 CDADMM O=C([O-])CC[N@H+](CC(=O)[O-])C[C@H]1C[C@H]1c1ccccc1 ZINC001602005287 1175108313 /nfs/dbraw/zinc/10/83/13/1175108313.db2.gz ZPDCISIRONKJKV-OLZOCXBDSA-N -1 1 277.320 1.651 20 0 CDADMM O=C([O-])C[N@H+](CCC[N-]C(=O)C(F)(F)F)C1CCCC1 ZINC001602055664 1175121046 /nfs/dbraw/zinc/12/10/46/1175121046.db2.gz SGYOTWMPNIKNCF-UHFFFAOYSA-N -1 1 296.289 1.384 20 0 CDADMM O=C([O-])C[N@@H+](CCC[N-]C(=O)C(F)(F)F)C1CCCC1 ZINC001602055664 1175121049 /nfs/dbraw/zinc/12/10/49/1175121049.db2.gz SGYOTWMPNIKNCF-UHFFFAOYSA-N -1 1 296.289 1.384 20 0 CDADMM COC(C)(C)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000095148037 599066643 /nfs/dbraw/zinc/06/66/43/599066643.db2.gz RWTOHZMMKVOKDA-UHFFFAOYSA-N -1 1 282.735 1.752 20 0 CDADMM COC(C)(C)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000095148037 599066646 /nfs/dbraw/zinc/06/66/46/599066646.db2.gz RWTOHZMMKVOKDA-UHFFFAOYSA-N -1 1 282.735 1.752 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(Cc3ccnc(Cl)c3)C[C@@H]21 ZINC001602207020 1175165847 /nfs/dbraw/zinc/16/58/47/1175165847.db2.gz NVDDUIKDQLWKDR-JZYVYDRUSA-N -1 1 252.701 1.497 20 0 CDADMM COc1ccc(NC(=O)CN(C)CCC(=O)[O-])cc1OC ZINC000818599234 596999611 /nfs/dbraw/zinc/99/96/11/596999611.db2.gz YCXUEMDPXQSISY-UHFFFAOYSA-N -1 1 296.323 1.049 20 0 CDADMM Cc1[nH]nc(C(=O)N(C)CCC(=O)[O-])c1Br ZINC000381454929 597011343 /nfs/dbraw/zinc/01/13/43/597011343.db2.gz HZUOJZDRXGFGDQ-UHFFFAOYSA-N -1 1 290.117 1.027 20 0 CDADMM Cc1nnc([C@H](C)N2CCC[C@H](CC(=O)[O-])C2)o1 ZINC000819036069 597082022 /nfs/dbraw/zinc/08/20/22/597082022.db2.gz QEJPFAYWXFMHAO-WCBMZHEXSA-N -1 1 253.302 1.626 20 0 CDADMM O=C([O-])c1ccc(OC[C@@H](O)CNCc2ccoc2)cc1 ZINC001602388244 1175230537 /nfs/dbraw/zinc/23/05/37/1175230537.db2.gz HQVRCSIFUXLEPB-ZDUSSCGKSA-N -1 1 291.303 1.507 20 0 CDADMM O=C([O-])[C@H]1CCN(Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000062133765 597525174 /nfs/dbraw/zinc/52/51/74/597525174.db2.gz CFWGGEFKHCJKAB-JTQLQIEISA-N -1 1 291.282 1.782 20 0 CDADMM O=C([O-])[C@H]1CCN(Cc2nccn2Cc2ccccc2)C1 ZINC000819287382 597530014 /nfs/dbraw/zinc/53/00/14/597530014.db2.gz SIPKEZZYUZMYQW-AWEZNQCLSA-N -1 1 285.347 1.838 20 0 CDADMM COc1cccc(CNC(=O)CN[C@@H](C(=O)[O-])C(C)C)c1 ZINC000035391739 598189366 /nfs/dbraw/zinc/18/93/66/598189366.db2.gz JTUSOGWRFQOCRL-CQSZACIVSA-N -1 1 294.351 1.010 20 0 CDADMM CC(=O)N1CCCN(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000049934221 598210271 /nfs/dbraw/zinc/21/02/71/598210271.db2.gz ANYWJNDINWPVLM-UHFFFAOYSA-N -1 1 276.336 1.439 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC(C2CC2)C2CC2)n1 ZINC000095183812 598340291 /nfs/dbraw/zinc/34/02/91/598340291.db2.gz IERWNICIPUTBSW-UHFFFAOYSA-N -1 1 257.301 1.257 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC(C2CC2)C2CC2)n1 ZINC000095183812 598340294 /nfs/dbraw/zinc/34/02/94/598340294.db2.gz IERWNICIPUTBSW-UHFFFAOYSA-N -1 1 257.301 1.257 20 0 CDADMM Cc1nc(CNc2nccnc2-c2nnn[n-]2)cs1 ZINC000095334417 598344961 /nfs/dbraw/zinc/34/49/61/598344961.db2.gz BBVZKUSGUBRYDI-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM Cc1nc(CNc2nccnc2-c2nn[n-]n2)cs1 ZINC000095334417 598344963 /nfs/dbraw/zinc/34/49/63/598344963.db2.gz BBVZKUSGUBRYDI-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM CCC[C@H](O)CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821026983 599552360 /nfs/dbraw/zinc/55/23/60/599552360.db2.gz JCOYQFISFZHSIZ-JTQLQIEISA-N -1 1 298.350 1.988 20 0 CDADMM CCC[C@H](O)CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821026983 599552362 /nfs/dbraw/zinc/55/23/62/599552362.db2.gz JCOYQFISFZHSIZ-JTQLQIEISA-N -1 1 298.350 1.988 20 0 CDADMM CCOc1cccc(CNC(=O)CNC(C)(C)C(=O)[O-])c1 ZINC000737209721 599925915 /nfs/dbraw/zinc/92/59/15/599925915.db2.gz DZZACRSBVHBRSR-UHFFFAOYSA-N -1 1 294.351 1.154 20 0 CDADMM C[C@@H](CN(C(=O)c1cccc2c[nH]nc21)C1CC1)C(=O)[O-] ZINC000237466481 599930705 /nfs/dbraw/zinc/93/07/05/599930705.db2.gz LKAFKKXTJUFFAL-VIFPVBQESA-N -1 1 287.319 1.888 20 0 CDADMM CN(C)[C@H](CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1cccs1 ZINC000037792216 600103778 /nfs/dbraw/zinc/10/37/78/600103778.db2.gz WUFNJSCPICOAAB-KXUCPTDWSA-N -1 1 282.365 1.188 20 0 CDADMM CC(C)(NCC(=O)N1CCC[C@H]2CCCC[C@H]21)C(=O)[O-] ZINC000087625690 600459336 /nfs/dbraw/zinc/45/93/36/600459336.db2.gz ARIRJAOBGZVKEH-VXGBXAGGSA-N -1 1 282.384 1.620 20 0 CDADMM CC[C@@](C)(NCC(=O)N[C@H](C)c1ccc(F)cc1)C(=O)[O-] ZINC000094228900 600563229 /nfs/dbraw/zinc/56/32/29/600563229.db2.gz NOJGJQCNBZQHSK-MEBBXXQBSA-N -1 1 296.342 1.846 20 0 CDADMM Cc1n[nH]c(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1C ZINC000716623388 600644566 /nfs/dbraw/zinc/64/45/66/600644566.db2.gz GLCBDTPGIWZTEV-SECBINFHSA-N -1 1 253.302 1.256 20 0 CDADMM C/C(=C/CSc1nc(-c2ccccn2)n[nH]1)C(=O)[O-] ZINC000825793272 600729261 /nfs/dbraw/zinc/72/92/61/600729261.db2.gz PYOWVWGUHOSWHI-YVMONPNESA-N -1 1 276.321 1.990 20 0 CDADMM C[C@@H]1CCC[C@H](C)N1C(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000828238073 601032673 /nfs/dbraw/zinc/03/26/73/601032673.db2.gz GADPFGNBAFGFTO-JRPNMDOOSA-N -1 1 282.384 1.619 20 0 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606433056 /nfs/dbraw/zinc/43/30/56/606433056.db2.gz NYNSSIZJWJDBCA-UHFFFAOYSA-N -1 1 288.355 1.616 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H]1C ZINC000820715720 606446319 /nfs/dbraw/zinc/44/63/19/606446319.db2.gz DQCZWFOHNCWYEV-IUCAKERBSA-N -1 1 272.312 1.132 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H]1C ZINC000820715720 606446323 /nfs/dbraw/zinc/44/63/23/606446323.db2.gz DQCZWFOHNCWYEV-IUCAKERBSA-N -1 1 272.312 1.132 20 0 CDADMM CCCN(C(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000821083205 606550305 /nfs/dbraw/zinc/55/03/05/606550305.db2.gz VPZZDSPAZXDUJL-UHFFFAOYSA-N -1 1 277.353 1.943 20 0 CDADMM CCCN(C(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000821083205 606550306 /nfs/dbraw/zinc/55/03/06/606550306.db2.gz VPZZDSPAZXDUJL-UHFFFAOYSA-N -1 1 277.353 1.943 20 0 CDADMM CCC[C@](C)(O)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821007956 606578932 /nfs/dbraw/zinc/57/89/32/606578932.db2.gz FEPOOFLENASPKM-LBPRGKRZSA-N -1 1 295.368 1.209 20 0 CDADMM CCC[C@](C)(O)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821007956 606578934 /nfs/dbraw/zinc/57/89/34/606578934.db2.gz FEPOOFLENASPKM-LBPRGKRZSA-N -1 1 295.368 1.209 20 0 CDADMM C[C@]1(COC(=O)c2sccc2-c2nn[n-]n2)CCCO1 ZINC000820623390 606899031 /nfs/dbraw/zinc/89/90/31/606899031.db2.gz OGTLLBDMFYZHGM-GFCCVEGCSA-N -1 1 294.336 1.654 20 0 CDADMM CC(C)C[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000820067502 607043924 /nfs/dbraw/zinc/04/39/24/607043924.db2.gz JMWBLWURUUIVQY-LLVKDONJSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)C[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000820067502 607043925 /nfs/dbraw/zinc/04/39/25/607043925.db2.gz JMWBLWURUUIVQY-LLVKDONJSA-N -1 1 287.371 1.919 20 0 CDADMM Cc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)nc1 ZINC000826282507 607805588 /nfs/dbraw/zinc/80/55/88/607805588.db2.gz RKDYEWXTOVVUPD-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)nc1 ZINC000826282507 607805589 /nfs/dbraw/zinc/80/55/89/607805589.db2.gz RKDYEWXTOVVUPD-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Fc1cnc(Oc2cccc(F)c2-c2nnn[n-]2)nc1 ZINC000826378473 607867399 /nfs/dbraw/zinc/86/73/99/607867399.db2.gz LUZIYAMZCCOWNV-UHFFFAOYSA-N -1 1 276.206 1.727 20 0 CDADMM Fc1cnc(Oc2cccc(F)c2-c2nn[n-]n2)nc1 ZINC000826378473 607867400 /nfs/dbraw/zinc/86/74/00/607867400.db2.gz LUZIYAMZCCOWNV-UHFFFAOYSA-N -1 1 276.206 1.727 20 0 CDADMM O=S(=O)(CC1CC1)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826484793 607868050 /nfs/dbraw/zinc/86/80/50/607868050.db2.gz PNEZRWMALBXIDB-UHFFFAOYSA-N -1 1 298.299 1.124 20 0 CDADMM O=S(=O)(CC1CC1)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826484793 607868051 /nfs/dbraw/zinc/86/80/51/607868051.db2.gz PNEZRWMALBXIDB-UHFFFAOYSA-N -1 1 298.299 1.124 20 0 CDADMM C[C@@H](c1ccccn1)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000824771628 607896975 /nfs/dbraw/zinc/89/69/75/607896975.db2.gz RTTWVBBJNPHKBC-JTQLQIEISA-N -1 1 281.323 1.854 20 0 CDADMM C[C@@H](c1ccccn1)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000824771628 607896976 /nfs/dbraw/zinc/89/69/76/607896976.db2.gz RTTWVBBJNPHKBC-JTQLQIEISA-N -1 1 281.323 1.854 20 0 CDADMM c1nn(CC2CC2)cc1Nc1cccc(-c2nnn[n-]2)n1 ZINC000826517872 607901101 /nfs/dbraw/zinc/90/11/01/607901101.db2.gz RNDOKFRFFWNXFS-UHFFFAOYSA-N -1 1 282.311 1.612 20 0 CDADMM c1nn(CC2CC2)cc1Nc1cccc(-c2nn[n-]n2)n1 ZINC000826517872 607901102 /nfs/dbraw/zinc/90/11/02/607901102.db2.gz RNDOKFRFFWNXFS-UHFFFAOYSA-N -1 1 282.311 1.612 20 0 CDADMM C[C@@H](c1ccccn1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824770359 607989716 /nfs/dbraw/zinc/98/97/16/607989716.db2.gz JLKTVNBHZVKFET-VIFPVBQESA-N -1 1 282.311 1.249 20 0 CDADMM C[C@@H](c1ccccn1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824770359 607989717 /nfs/dbraw/zinc/98/97/17/607989717.db2.gz JLKTVNBHZVKFET-VIFPVBQESA-N -1 1 282.311 1.249 20 0 CDADMM O=C(C=Cc1ccco1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826403224 607998676 /nfs/dbraw/zinc/99/86/76/607998676.db2.gz MSRPGJAUOFBHEL-GQCTYLIASA-N -1 1 297.274 1.817 20 0 CDADMM CCCCC[C@H](C)NC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000825267147 608014050 /nfs/dbraw/zinc/01/40/50/608014050.db2.gz IXYOVYHNQGLALA-JTQLQIEISA-N -1 1 291.359 1.148 20 0 CDADMM CCCCC[C@H](C)NC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000825267147 608014051 /nfs/dbraw/zinc/01/40/51/608014051.db2.gz IXYOVYHNQGLALA-JTQLQIEISA-N -1 1 291.359 1.148 20 0 CDADMM FC(F)(F)CN(Cc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC000826367511 608038204 /nfs/dbraw/zinc/03/82/04/608038204.db2.gz BMFVDFUPURJTFP-UHFFFAOYSA-N -1 1 298.272 1.788 20 0 CDADMM FC(F)(F)CN(Cc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC000826367511 608038205 /nfs/dbraw/zinc/03/82/05/608038205.db2.gz BMFVDFUPURJTFP-UHFFFAOYSA-N -1 1 298.272 1.788 20 0 CDADMM ClC1(Cl)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826350233 608390427 /nfs/dbraw/zinc/39/04/27/608390427.db2.gz NDQQGXIICHFZLO-YFKPBYRVSA-N -1 1 286.126 1.262 20 0 CDADMM ClC1(Cl)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826350233 608390429 /nfs/dbraw/zinc/39/04/29/608390429.db2.gz NDQQGXIICHFZLO-YFKPBYRVSA-N -1 1 286.126 1.262 20 0 CDADMM C[C@H]1C[C@H]1c1ccc(CNc2ccc(-c3nnn[n-]3)nn2)o1 ZINC000824899295 608401653 /nfs/dbraw/zinc/40/16/53/608401653.db2.gz IWEQNFRHKQZMJW-WCBMZHEXSA-N -1 1 297.322 1.985 20 0 CDADMM C[C@H]1C[C@H]1c1ccc(CNc2ccc(-c3nn[n-]n3)nn2)o1 ZINC000824899295 608401654 /nfs/dbraw/zinc/40/16/54/608401654.db2.gz IWEQNFRHKQZMJW-WCBMZHEXSA-N -1 1 297.322 1.985 20 0 CDADMM CC(C)[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000824216920 608404352 /nfs/dbraw/zinc/40/43/52/608404352.db2.gz XFHVXRPJKUSMES-SNVBAGLBSA-N -1 1 259.317 1.282 20 0 CDADMM CC(C)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000824216920 608404354 /nfs/dbraw/zinc/40/43/54/608404354.db2.gz XFHVXRPJKUSMES-SNVBAGLBSA-N -1 1 259.317 1.282 20 0 CDADMM c1ccc([C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC000826520795 608407704 /nfs/dbraw/zinc/40/77/04/608407704.db2.gz RFYLCBVSBFDDLP-GFCCVEGCSA-N -1 1 293.334 1.651 20 0 CDADMM c1ccc([C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC000826520795 608407706 /nfs/dbraw/zinc/40/77/06/608407706.db2.gz RFYLCBVSBFDDLP-GFCCVEGCSA-N -1 1 293.334 1.651 20 0 CDADMM CC1(C)C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC000824790163 608437070 /nfs/dbraw/zinc/43/70/70/608437070.db2.gz KXIMLXAAVIQQEA-QMMMGPOBSA-N -1 1 275.316 1.026 20 0 CDADMM CC1(C)C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC000824790163 608437071 /nfs/dbraw/zinc/43/70/71/608437071.db2.gz KXIMLXAAVIQQEA-QMMMGPOBSA-N -1 1 275.316 1.026 20 0 CDADMM c1cncc([C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C2CC2)c1 ZINC000826525619 608439379 /nfs/dbraw/zinc/43/93/79/608439379.db2.gz RRLJGQWTFPZKAB-ZDUSSCGKSA-N -1 1 294.322 1.615 20 0 CDADMM c1cncc([C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C2CC2)c1 ZINC000826525619 608439381 /nfs/dbraw/zinc/43/93/81/608439381.db2.gz RRLJGQWTFPZKAB-ZDUSSCGKSA-N -1 1 294.322 1.615 20 0 CDADMM FC1(F)CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826370080 608439478 /nfs/dbraw/zinc/43/94/78/608439478.db2.gz CRGICEVFLWQHQN-UHFFFAOYSA-N -1 1 281.270 1.647 20 0 CDADMM FC1(F)CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826370080 608439480 /nfs/dbraw/zinc/43/94/80/608439480.db2.gz CRGICEVFLWQHQN-UHFFFAOYSA-N -1 1 281.270 1.647 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H]1CCCO1 ZINC000826280580 608540927 /nfs/dbraw/zinc/54/09/27/608540927.db2.gz HVSKFJYJORUPKG-SECBINFHSA-N -1 1 260.301 1.161 20 0 CDADMM COC(=O)CN(Cc1ccc(-c2nn[n-]n2)s1)C(C)C ZINC000826138188 608571932 /nfs/dbraw/zinc/57/19/32/608571932.db2.gz JKVQFGDZEIPNPE-UHFFFAOYSA-N -1 1 295.368 1.312 20 0 CDADMM C[C@@H]1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC000824915189 609389445 /nfs/dbraw/zinc/38/94/45/609389445.db2.gz CBNSRLYROGHGEE-QMTHXVAHSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@@H]1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC000824915189 609389446 /nfs/dbraw/zinc/38/94/46/609389446.db2.gz CBNSRLYROGHGEE-QMTHXVAHSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC(C)(C)C1 ZINC000824992385 609592364 /nfs/dbraw/zinc/59/23/64/609592364.db2.gz MGJODKSHMQKWHF-SECBINFHSA-N -1 1 273.344 1.529 20 0 CDADMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC(C)(C)C1 ZINC000824992385 609592366 /nfs/dbraw/zinc/59/23/66/609592366.db2.gz MGJODKSHMQKWHF-SECBINFHSA-N -1 1 273.344 1.529 20 0 CDADMM O=c1nc(NC[C@H](CO)CC2CC2)cc(Cl)[n-]1 ZINC000858629781 617201781 /nfs/dbraw/zinc/20/17/81/617201781.db2.gz YXOGZXZIOCBQMP-MRVPVSSYSA-N -1 1 257.721 1.656 20 0 CDADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@H](O)[C@H](F)C1 ZINC000890687899 617276344 /nfs/dbraw/zinc/27/63/44/617276344.db2.gz NXTHAPMGBREUJK-SFYZADRCSA-N -1 1 275.226 1.215 20 0 CDADMM COC(=O)c1ccc(C(=O)OCC2(O)CCCCC2)[n-]1 ZINC000893173812 617438206 /nfs/dbraw/zinc/43/82/06/617438206.db2.gz MGMUWLIVLFDMFW-UHFFFAOYSA-N -1 1 281.308 1.653 20 0 CDADMM COCc1nc(NCCNc2ccccc2)cc(=O)[n-]1 ZINC000892598307 617527287 /nfs/dbraw/zinc/52/72/87/617527287.db2.gz AHCAKEDYLWIOFF-UHFFFAOYSA-N -1 1 274.324 1.853 20 0 CDADMM COCc1nc(NC[C@@H](OC)C(C)(C)C)cc(=O)[n-]1 ZINC000892753327 617704945 /nfs/dbraw/zinc/70/49/45/617704945.db2.gz UWAFOCPNONDYCS-SECBINFHSA-N -1 1 269.345 1.802 20 0 CDADMM COCc1nc(NCC2(COC)CCC2)cc(=O)[n-]1 ZINC000893693933 617853660 /nfs/dbraw/zinc/85/36/60/617853660.db2.gz HYVMVYMZINAAQS-UHFFFAOYSA-N -1 1 267.329 1.557 20 0 CDADMM CC(C)c1ncc(C(=O)N(C)c2nn[n-]n2)s1 ZINC000892954640 617974402 /nfs/dbraw/zinc/97/44/02/617974402.db2.gz OKZJIRASIHXBMD-UHFFFAOYSA-N -1 1 252.303 1.056 20 0 CDADMM COc1c(C)cc(C(=O)N(C)c2nn[n-]n2)cc1C ZINC000892954298 617975906 /nfs/dbraw/zinc/97/59/06/617975906.db2.gz IEGLZOUOQQRJKR-UHFFFAOYSA-N -1 1 261.285 1.102 20 0 CDADMM COc1ccc(C(=O)N(C)c2nn[n-]n2)c(OC(C)C)c1 ZINC000892954253 617976315 /nfs/dbraw/zinc/97/63/15/617976315.db2.gz GSLNVDXHARRUTF-UHFFFAOYSA-N -1 1 291.311 1.272 20 0 CDADMM O=C([O-])[C@]1(O)CCN(Cc2cc(Cl)cs2)C1 ZINC000901903360 618355594 /nfs/dbraw/zinc/35/55/94/618355594.db2.gz SMHHKWAJFPXPMQ-JTQLQIEISA-N -1 1 261.730 1.423 20 0 CDADMM O=C(c1c([O-])cccc1Cl)N1CC[C@H](C2OCCO2)C1 ZINC000928000476 618363757 /nfs/dbraw/zinc/36/37/57/618363757.db2.gz UQHNKGGZVWFMGF-VIFPVBQESA-N -1 1 297.738 1.881 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000901992817 618434223 /nfs/dbraw/zinc/43/42/23/618434223.db2.gz MMGGEWCIXNRGPE-LUTQBAROSA-N -1 1 291.351 1.540 20 0 CDADMM Cc1ccc(CCCN2CCOC[C@H]2CC(=O)[O-])cn1 ZINC000902002717 618475272 /nfs/dbraw/zinc/47/52/72/618475272.db2.gz UGGWVJFPGQTATE-CQSZACIVSA-N -1 1 278.352 1.498 20 0 CDADMM C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)N(CC(=O)[O-])C1CCC1 ZINC000902033140 618532034 /nfs/dbraw/zinc/53/20/34/618532034.db2.gz DGESIANCAAWMDJ-LKFCYVNXSA-N -1 1 291.351 1.541 20 0 CDADMM CO[C@H]1CCN(Cc2cccs2)[C@@H](C(=O)[O-])C1 ZINC000902033900 618532764 /nfs/dbraw/zinc/53/27/64/618532764.db2.gz WSDFLAQQIARGKQ-GXSJLCMTSA-N -1 1 255.339 1.812 20 0 CDADMM COCc1nc(N2C[C@H](C)OC3(CCC3)C2)cc(=O)[n-]1 ZINC000894361017 618820621 /nfs/dbraw/zinc/82/06/21/618820621.db2.gz DMUCIBGKHCUETR-JTQLQIEISA-N -1 1 279.340 1.476 20 0 CDADMM C[C@H](C(=O)NCC1(CC(=O)[O-])CCCCC1)N(C)C ZINC000909462946 619339740 /nfs/dbraw/zinc/33/97/40/619339740.db2.gz ASVOUPVBYUZOSQ-LLVKDONJSA-N -1 1 270.373 1.478 20 0 CDADMM C[C@H]1CCc2n[nH]c(C(=O)N[C@@H](CC3CC3)C(=O)[O-])c2C1 ZINC000909473629 619358016 /nfs/dbraw/zinc/35/80/16/619358016.db2.gz APNMNBWJRYXOSN-UFBFGSQYSA-N -1 1 291.351 1.518 20 0 CDADMM C[C@H](Cc1ccc(NC(=O)CN2CCCC2)cc1)C(=O)[O-] ZINC000909520722 619630008 /nfs/dbraw/zinc/63/00/08/619630008.db2.gz SOKRMOYGMNIDLK-GFCCVEGCSA-N -1 1 290.363 1.984 20 0 CDADMM O=c1nc(N[C@@H](c2ccccn2)C2CC2)nc2[nH][n-]cc1-2 ZINC000895792249 619844160 /nfs/dbraw/zinc/84/41/60/619844160.db2.gz CWYLTGLLZYPKRX-LLVKDONJSA-N -1 1 282.307 1.390 20 0 CDADMM Cc1nc(C)c(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)[nH]1 ZINC000909577473 620446869 /nfs/dbraw/zinc/44/68/69/620446869.db2.gz JOKNYYYFDXTZFK-NSHDSACASA-N -1 1 285.303 1.855 20 0 CDADMM CC[C@H]1C[C@@H](OC(=O)c2ccc(C(=O)OC)[n-]2)CCO1 ZINC000797047063 620448221 /nfs/dbraw/zinc/44/82/21/620448221.db2.gz AADAZCHLYYHZRW-UWVGGRQHSA-N -1 1 281.308 1.916 20 0 CDADMM O=C([O-])[C@H]1CCCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000909612259 620508008 /nfs/dbraw/zinc/50/80/08/620508008.db2.gz GYJLJYYDHVDRRZ-SSDOTTSWSA-N -1 1 259.212 1.037 20 0 CDADMM CCC(CC)(NC(=O)[C@@H]1CCCCN1C)C(=O)[O-] ZINC000909613789 620509988 /nfs/dbraw/zinc/50/99/88/620509988.db2.gz JOERDOCJESIYAZ-JTQLQIEISA-N -1 1 256.346 1.230 20 0 CDADMM O=C(CC[N-]C(=O)C(F)(F)F)CSc1ccncc1 ZINC000865358991 620970558 /nfs/dbraw/zinc/97/05/58/620970558.db2.gz CKISGFBRXZTHFP-UHFFFAOYSA-N -1 1 292.282 1.811 20 0 CDADMM Cc1nc(C)c(CC(=O)[N-]OCCOC(C)C)s1 ZINC000897816118 621139686 /nfs/dbraw/zinc/13/96/86/621139686.db2.gz IOEHVBUVHQAEGY-UHFFFAOYSA-N -1 1 272.370 1.775 20 0 CDADMM CC[C@@H](OC)C(=O)Nc1cc(C(=O)OC(C)(C)C)[nH]n1 ZINC000898097175 621334028 /nfs/dbraw/zinc/33/40/28/621334028.db2.gz GPPDURMYDUGWEC-SECBINFHSA-N -1 1 283.328 1.729 20 0 CDADMM CSCC[C@H](C)[N-]S(=O)(=O)c1cc(C)ns1 ZINC000866814901 621594142 /nfs/dbraw/zinc/59/41/42/621594142.db2.gz XSMXEYIRSGDALN-ZETCQYMHSA-N -1 1 280.440 1.871 20 0 CDADMM O=C(CCC1CCC1)NCc1nc([O-])cc(=O)[nH]1 ZINC000898757626 621861304 /nfs/dbraw/zinc/86/13/04/621861304.db2.gz RZFRHAAPYWRCGI-UHFFFAOYSA-N -1 1 251.286 1.084 20 0 CDADMM CC1(C)CCC(C(=O)NCc2nc([O-])cc(=O)[nH]2)CC1 ZINC000898757939 621861903 /nfs/dbraw/zinc/86/19/03/621861903.db2.gz VECSWQDUJITRDT-UHFFFAOYSA-N -1 1 279.340 1.720 20 0 CDADMM O=C(NCc1nc([O-])cc(=O)[nH]1)[C@H]1CCCC[C@@H]1C1CC1 ZINC000898755120 621865886 /nfs/dbraw/zinc/86/58/86/621865886.db2.gz MFJYBXBKSIXQKX-MNOVXSKESA-N -1 1 291.351 1.720 20 0 CDADMM CC1CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)CC1 ZINC000899933308 622550943 /nfs/dbraw/zinc/55/09/43/622550943.db2.gz LQHGHUPRWXNYRK-UHFFFAOYSA-N -1 1 261.325 1.932 20 0 CDADMM CC1(O)CCC(NC(=O)c2cnc(C3CC3)[n-]c2=O)CC1 ZINC000900960860 623729921 /nfs/dbraw/zinc/72/99/21/623729921.db2.gz BXBOOFPVKCWQEM-UHFFFAOYSA-N -1 1 291.351 1.483 20 0 CDADMM CC(C)C[C@H]1C[N@@H+](C)CCN1c1cccc(C(=O)[O-])n1 ZINC000900991581 623808737 /nfs/dbraw/zinc/80/87/37/623808737.db2.gz XNGKCCSHHSCWQQ-LBPRGKRZSA-N -1 1 277.368 1.946 20 0 CDADMM CN(CC(=O)[O-])C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC000901419172 624229167 /nfs/dbraw/zinc/22/91/67/624229167.db2.gz MOGYUBXACQWPMI-UHFFFAOYSA-N -1 1 257.677 1.097 20 0 CDADMM CCc1oc(CN(C)CCn2cccn2)cc1C(=O)[O-] ZINC000901430043 624242416 /nfs/dbraw/zinc/24/24/16/624242416.db2.gz AXEROYYAYNXHAV-UHFFFAOYSA-N -1 1 277.324 1.869 20 0 CDADMM CC[C@@H](NC(=O)CN(C)CCc1ccccc1)C(=O)[O-] ZINC000901467744 624283277 /nfs/dbraw/zinc/28/32/77/624283277.db2.gz VBWJVXXPWJBQLZ-CYBMUJFWSA-N -1 1 278.352 1.140 20 0 CDADMM CCC[C@H](NC(=O)c1cccc2nc[nH]c21)C(=O)[O-] ZINC000901491480 624294389 /nfs/dbraw/zinc/29/43/89/624294389.db2.gz RZLWHMWPHVMPFL-JTQLQIEISA-N -1 1 261.281 1.546 20 0 CDADMM C[C@H](CN(C)Cc1cc(C(F)(F)F)n[nH]1)C(=O)[O-] ZINC000901595759 624353186 /nfs/dbraw/zinc/35/31/86/624353186.db2.gz BXMXSDATXHZRAU-ZCFIWIBFSA-N -1 1 265.235 1.581 20 0 CDADMM C[C@@H]1CN(C(=O)[C@@H]2C[C@H](C)Cc3c[nH]nc32)C[C@H]1C(=O)[O-] ZINC000901652624 624393872 /nfs/dbraw/zinc/39/38/72/624393872.db2.gz RSNGCULUFSLLBA-CNVPUSNMSA-N -1 1 291.351 1.255 20 0 CDADMM C[C@@H]1CN(C(=O)[C@H]2c3cn[nH]c3CC[C@@H]2C)C[C@H]1C(=O)[O-] ZINC000901653439 624394407 /nfs/dbraw/zinc/39/44/07/624394407.db2.gz UQVKGBXHFGBJHD-SEMCEJNYSA-N -1 1 291.351 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CCCCO[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001604187611 1163119746 /nfs/dbraw/zinc/11/97/46/1163119746.db2.gz PGEFHRBJDUDOJF-VIFPVBQESA-N -1 1 290.327 1.405 20 0 CDADMM C[C@H](NC1COCCOC1)c1ccccc1OCC(=O)[O-] ZINC001604330952 1163153035 /nfs/dbraw/zinc/15/30/35/1163153035.db2.gz WZGLCMRXRQBPTM-NSHDSACASA-N -1 1 295.335 1.216 20 0 CDADMM CCOC(=O)c1cnn(CCCC(C)C)c1-c1nn[n-]n1 ZINC001604391308 1163173875 /nfs/dbraw/zinc/17/38/75/1163173875.db2.gz WYDCUTDJUNOAAO-UHFFFAOYSA-N -1 1 292.343 1.676 20 0 CDADMM CCO[C@@H]1CCC[C@H]1Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001604438988 1163188023 /nfs/dbraw/zinc/18/80/23/1163188023.db2.gz QMFIAZAQALNVQE-MWLCHTKSSA-N -1 1 289.343 1.335 20 0 CDADMM CCO[C@@H]1CCC[C@H]1Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001604438988 1163188029 /nfs/dbraw/zinc/18/80/29/1163188029.db2.gz QMFIAZAQALNVQE-MWLCHTKSSA-N -1 1 289.343 1.335 20 0 CDADMM CC[C@@H]1C[C@H]1C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001604488723 1163204443 /nfs/dbraw/zinc/20/44/43/1163204443.db2.gz GXTVUJPBMRJPFS-VXNVDRBHSA-N -1 1 262.269 1.549 20 0 CDADMM CC[C@@H]1C[C@H]1C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001604488723 1163204449 /nfs/dbraw/zinc/20/44/49/1163204449.db2.gz GXTVUJPBMRJPFS-VXNVDRBHSA-N -1 1 262.269 1.549 20 0 CDADMM CC[C@@H]1C[C@H]1COc1ccc(F)nc1-c1nnn[n-]1 ZINC001604491331 1163205722 /nfs/dbraw/zinc/20/57/22/1163205722.db2.gz QNEXYYYYVLWSDP-SFYZADRCSA-N -1 1 263.276 1.826 20 0 CDADMM CC[C@@H]1C[C@H]1COc1ccc(F)nc1-c1nn[n-]n1 ZINC001604491331 1163205727 /nfs/dbraw/zinc/20/57/27/1163205727.db2.gz QNEXYYYYVLWSDP-SFYZADRCSA-N -1 1 263.276 1.826 20 0 CDADMM CC1(C)CCC[C@@]([NH2+]Cc2nnc[n-]2)(C(=O)[O-])C1 ZINC001604529959 1163221468 /nfs/dbraw/zinc/22/14/68/1163221468.db2.gz KWZFOSDPQNBJHE-LBPRGKRZSA-N -1 1 252.318 1.318 20 0 CDADMM CCc1onc(C)c1CNc1ncncc1-c1nn[n-]n1 ZINC001604593298 1163241493 /nfs/dbraw/zinc/24/14/93/1163241493.db2.gz SGWUEJKCOWLTAY-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CC1=NO[C@@H](CNCc2[nH]cc(C(=O)[O-])c2C2CC2)C1 ZINC001604618202 1163252157 /nfs/dbraw/zinc/25/21/57/1163252157.db2.gz MVTCYVGTYJVSHF-SNVBAGLBSA-N -1 1 277.324 1.845 20 0 CDADMM CN(CC1CCCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001604729694 1163298395 /nfs/dbraw/zinc/29/83/95/1163298395.db2.gz YUJZQYVTEIATJE-UHFFFAOYSA-N -1 1 258.329 1.888 20 0 CDADMM CN(CC1CCCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001604729694 1163298402 /nfs/dbraw/zinc/29/84/02/1163298402.db2.gz YUJZQYVTEIATJE-UHFFFAOYSA-N -1 1 258.329 1.888 20 0 CDADMM CO[C@H](COC(=O)c1sccc1-c1nn[n-]n1)C1CC1 ZINC001605012284 1163416126 /nfs/dbraw/zinc/41/61/26/1163416126.db2.gz KTWRFPKZPJWCGT-SECBINFHSA-N -1 1 294.336 1.510 20 0 CDADMM COC1CC(CCNc2cccnc2-c2nnn[n-]2)C1 ZINC001605024054 1163421655 /nfs/dbraw/zinc/42/16/55/1163421655.db2.gz JBURIJGWQSCVCQ-UHFFFAOYSA-N -1 1 274.328 1.489 20 0 CDADMM COC1CC(CCNc2cccnc2-c2nn[n-]n2)C1 ZINC001605024054 1163421658 /nfs/dbraw/zinc/42/16/58/1163421658.db2.gz JBURIJGWQSCVCQ-UHFFFAOYSA-N -1 1 274.328 1.489 20 0 CDADMM CCN(C)C(=O)[C@H](C)NCc1cc(C(=O)[O-])c(C(C)C)[nH]1 ZINC001605406452 1163552850 /nfs/dbraw/zinc/55/28/50/1163552850.db2.gz YIPNFYGWGBJKGL-JTQLQIEISA-N -1 1 295.383 1.793 20 0 CDADMM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001605409568 1163554575 /nfs/dbraw/zinc/55/45/75/1163554575.db2.gz GFNGVKQNTXNTQY-RKDXNWHRSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001605409568 1163554580 /nfs/dbraw/zinc/55/45/80/1163554580.db2.gz GFNGVKQNTXNTQY-RKDXNWHRSA-N -1 1 259.317 1.282 20 0 CDADMM CCN(Cc1ccccc1CC(=O)[O-])[C@@H]1CCNC1=O ZINC001605459344 1163572803 /nfs/dbraw/zinc/57/28/03/1163572803.db2.gz YXIMDZNYLHDMPP-CYBMUJFWSA-N -1 1 276.336 1.024 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCC(C)(C)C2)n1 ZINC001605573219 1163613581 /nfs/dbraw/zinc/61/35/81/1163613581.db2.gz WCWAXKQFPJBIEA-VIFPVBQESA-N -1 1 273.344 1.956 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCC(C)(C)C2)n1 ZINC001605573219 1163613587 /nfs/dbraw/zinc/61/35/87/1163613587.db2.gz WCWAXKQFPJBIEA-VIFPVBQESA-N -1 1 273.344 1.956 20 0 CDADMM Cc1ccc(N2CC[C@@H](C)[C@@H](CO)C2)nc1-c1nnn[n-]1 ZINC001605864546 1163695775 /nfs/dbraw/zinc/69/57/75/1163695775.db2.gz IFLKJJPGYGFQLZ-MWLCHTKSSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(N2CC[C@@H](C)[C@@H](CO)C2)nc1-c1nn[n-]n1 ZINC001605864546 1163695780 /nfs/dbraw/zinc/69/57/80/1163695780.db2.gz IFLKJJPGYGFQLZ-MWLCHTKSSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(N2CCO[C@@H](C(C)C)C2)nc1-c1nnn[n-]1 ZINC001605867254 1163697332 /nfs/dbraw/zinc/69/73/32/1163697332.db2.gz GVKFBFMPYYZBDY-LLVKDONJSA-N -1 1 288.355 1.431 20 0 CDADMM Cc1ccc(N2CCO[C@@H](C(C)C)C2)nc1-c1nn[n-]n1 ZINC001605867254 1163697336 /nfs/dbraw/zinc/69/73/36/1163697336.db2.gz GVKFBFMPYYZBDY-LLVKDONJSA-N -1 1 288.355 1.431 20 0 CDADMM Cc1ccc2[nH+]cc(-c3nn[nH]n3)c(N[C@@H](C)CCO)c2c1 ZINC001605895637 1163710489 /nfs/dbraw/zinc/71/04/89/1163710489.db2.gz WXHQBHYXBUVGSU-JTQLQIEISA-N -1 1 298.350 1.328 20 0 CDADMM Cc1cccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC001605903924 1163712445 /nfs/dbraw/zinc/71/24/45/1163712445.db2.gz NTRBBTATCHUMRM-UHFFFAOYSA-N -1 1 283.295 1.161 20 0 CDADMM Cc1cccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC001605903924 1163712450 /nfs/dbraw/zinc/71/24/50/1163712450.db2.gz NTRBBTATCHUMRM-UHFFFAOYSA-N -1 1 283.295 1.161 20 0 CDADMM Cc1cccc(CN(C)c2ccc(C)nc2-c2nnn[n-]2)n1 ZINC001605913756 1163713752 /nfs/dbraw/zinc/71/37/52/1163713752.db2.gz XVTAXLOVXIELQA-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1cccc(CN(C)c2ccc(C)nc2-c2nn[n-]n2)n1 ZINC001605913756 1163713755 /nfs/dbraw/zinc/71/37/55/1163713755.db2.gz XVTAXLOVXIELQA-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1nc(NCc2cccc(O)c2)cc(-c2nnn[n-]2)n1 ZINC001606077024 1163765150 /nfs/dbraw/zinc/76/51/50/1163765150.db2.gz NUQDUGUIONOVIB-UHFFFAOYSA-N -1 1 283.295 1.283 20 0 CDADMM Cc1nc(NCc2cccc(O)c2)cc(-c2nn[n-]n2)n1 ZINC001606077024 1163765157 /nfs/dbraw/zinc/76/51/57/1163765157.db2.gz NUQDUGUIONOVIB-UHFFFAOYSA-N -1 1 283.295 1.283 20 0 CDADMM F[C@]1(c2ccccc2)C[C@@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001606300337 1163846240 /nfs/dbraw/zinc/84/62/40/1163846240.db2.gz UHRPROKEOLSOBX-FZMZJTMJSA-N -1 1 297.297 1.706 20 0 CDADMM F[C@]1(c2ccccc2)C[C@@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001606300337 1163846244 /nfs/dbraw/zinc/84/62/44/1163846244.db2.gz UHRPROKEOLSOBX-FZMZJTMJSA-N -1 1 297.297 1.706 20 0 CDADMM FCC(CF)NCc1csc(-c2nn[n-]n2)c1 ZINC001606302922 1163849312 /nfs/dbraw/zinc/84/93/12/1163849312.db2.gz POFUCTBCKRAPGM-UHFFFAOYSA-N -1 1 259.285 1.325 20 0 CDADMM O=C(Cc1ccoc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001606610716 1163936773 /nfs/dbraw/zinc/93/67/73/1163936773.db2.gz RXFGQUXRJYASJH-UHFFFAOYSA-N -1 1 285.263 1.347 20 0 CDADMM O=C(NCCC1CSC1)c1ccc(-c2nnn[n-]2)s1 ZINC001606763797 1163988420 /nfs/dbraw/zinc/98/84/20/1163988420.db2.gz LMJFJPAEEJQDGM-UHFFFAOYSA-N -1 1 295.393 1.411 20 0 CDADMM O=C(NCCC1CSC1)c1ccc(-c2nn[n-]n2)s1 ZINC001606763797 1163988426 /nfs/dbraw/zinc/98/84/26/1163988426.db2.gz LMJFJPAEEJQDGM-UHFFFAOYSA-N -1 1 295.393 1.411 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cccc2[nH]ccc21 ZINC001606893131 1164025243 /nfs/dbraw/zinc/02/52/43/1164025243.db2.gz GNWSAOXZYRETTN-UHFFFAOYSA-N -1 1 294.278 1.323 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cccc2[nH]ccc21 ZINC001606893131 1164025248 /nfs/dbraw/zinc/02/52/48/1164025248.db2.gz GNWSAOXZYRETTN-UHFFFAOYSA-N -1 1 294.278 1.323 20 0 CDADMM COCc1cc(CN[C@@H](C[C@@H]2CCCOC2)C(=O)[O-])no1 ZINC001606941574 1164035504 /nfs/dbraw/zinc/03/55/04/1164035504.db2.gz JIXJHXFERNSYHS-GWCFXTLKSA-N -1 1 298.339 1.181 20 0 CDADMM O=C(c1ccsc1-c1nnn[n-]1)N1Cc2ccncc2C1 ZINC001607026459 1164062428 /nfs/dbraw/zinc/06/24/28/1164062428.db2.gz BMQMVYFHTCVXQJ-UHFFFAOYSA-N -1 1 298.331 1.479 20 0 CDADMM O=C(c1ccsc1-c1nn[n-]n1)N1Cc2ccncc2C1 ZINC001607026459 1164062435 /nfs/dbraw/zinc/06/24/35/1164062435.db2.gz BMQMVYFHTCVXQJ-UHFFFAOYSA-N -1 1 298.331 1.479 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1C[C@@H]2CCCC[C@@H]21 ZINC001607025885 1164063056 /nfs/dbraw/zinc/06/30/56/1164063056.db2.gz OMNYKIIIOKPBKF-JQWIXIFHSA-N -1 1 284.323 1.276 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1C[C@@H]2CCCC[C@@H]21 ZINC001607025885 1164063062 /nfs/dbraw/zinc/06/30/62/1164063062.db2.gz OMNYKIIIOKPBKF-JQWIXIFHSA-N -1 1 284.323 1.276 20 0 CDADMM OCC[C@H]1CCC[C@H]1Nc1cccnc1-c1nnn[n-]1 ZINC001607106156 1164086016 /nfs/dbraw/zinc/08/60/16/1164086016.db2.gz RNDSHEVWLMYPBB-NXEZZACHSA-N -1 1 274.328 1.225 20 0 CDADMM OCC[C@H]1CCC[C@H]1Nc1cccnc1-c1nn[n-]n1 ZINC001607106156 1164086024 /nfs/dbraw/zinc/08/60/24/1164086024.db2.gz RNDSHEVWLMYPBB-NXEZZACHSA-N -1 1 274.328 1.225 20 0 CDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CC[C@H]2C[C@H]2C1 ZINC001607131548 1164111173 /nfs/dbraw/zinc/11/11/73/1164111173.db2.gz HEHFOUGKVKQBPD-UWVGGRQHSA-N -1 1 293.334 1.656 20 0 CDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CC[C@H]2C[C@H]2C1 ZINC001607131548 1164111178 /nfs/dbraw/zinc/11/11/78/1164111178.db2.gz HEHFOUGKVKQBPD-UWVGGRQHSA-N -1 1 293.334 1.656 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@@H]2CCCC23CC3)n1 ZINC001607134269 1164114092 /nfs/dbraw/zinc/11/40/92/1164114092.db2.gz XMFXGQZQKHGIDX-VIFPVBQESA-N -1 1 271.328 1.649 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@@H]2CCCC23CC3)n1 ZINC001607134269 1164114096 /nfs/dbraw/zinc/11/40/96/1164114096.db2.gz XMFXGQZQKHGIDX-VIFPVBQESA-N -1 1 271.328 1.649 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@H]2CCCC23CC3)n1 ZINC001607134265 1164114577 /nfs/dbraw/zinc/11/45/77/1164114577.db2.gz XMFXGQZQKHGIDX-SECBINFHSA-N -1 1 271.328 1.649 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@H]2CCCC23CC3)n1 ZINC001607134265 1164114579 /nfs/dbraw/zinc/11/45/79/1164114579.db2.gz XMFXGQZQKHGIDX-SECBINFHSA-N -1 1 271.328 1.649 20 0 CDADMM COc1ccsc1CN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001607352429 1164153549 /nfs/dbraw/zinc/15/35/49/1164153549.db2.gz KFWPLLRMCZMBMK-GFCCVEGCSA-N -1 1 285.365 1.414 20 0 CDADMM COc1cnc(F)c(CN2CCC[C@](C)(C(=O)[O-])C2)c1 ZINC001607353446 1164155485 /nfs/dbraw/zinc/15/54/85/1164155485.db2.gz SEXVJFLCUWNZDC-AWEZNQCLSA-N -1 1 282.315 1.916 20 0 CDADMM C[C@H](C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])N(C)C ZINC001607450673 1164185182 /nfs/dbraw/zinc/18/51/82/1164185182.db2.gz LTPXDSNIVMFSRL-YPMHNXCESA-N -1 1 292.379 1.905 20 0 CDADMM Cc1c(Cl)cnn1CN1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001607531878 1164219319 /nfs/dbraw/zinc/21/93/19/1164219319.db2.gz NLRAPHNSXAVHBO-UFBFGSQYSA-N -1 1 271.748 1.845 20 0 CDADMM Cc1cc(N(C)C)nc(NCc2cc(C(=O)[O-])co2)n1 ZINC001607669194 1164264559 /nfs/dbraw/zinc/26/45/59/1164264559.db2.gz GKXQEHKZRMXPPA-UHFFFAOYSA-N -1 1 276.296 1.754 20 0 CDADMM Cc1ccc(CN2CCn3c(=O)[nH]nc3C2)cc1C(=O)[O-] ZINC001607781253 1164292853 /nfs/dbraw/zinc/29/28/53/1164292853.db2.gz MDUJYKJGVNBHPG-UHFFFAOYSA-N -1 1 288.307 1.006 20 0 CDADMM CSc1nc(NC(=O)[C@H]2CCO[C@H]2C)cc(=O)[n-]1 ZINC001178956524 1164323260 /nfs/dbraw/zinc/32/32/60/1164323260.db2.gz LQKKYRARMCKCJI-BQBZGAKWSA-N -1 1 269.326 1.268 20 0 CDADMM Cc1oc(S(=O)(=O)NC(C)(C)C(F)F)cc1C(=O)[O-] ZINC001608056857 1164395927 /nfs/dbraw/zinc/39/59/27/1164395927.db2.gz RLPAAZYWPHXVBW-UHFFFAOYSA-N -1 1 297.279 1.608 20 0 CDADMM Cn1cc(Cl)c(CN[C@H](C(=O)[O-])C(C)(C)C)n1 ZINC001608114700 1164414875 /nfs/dbraw/zinc/41/48/75/1164414875.db2.gz RPINHFWDUOMZPL-SECBINFHSA-N -1 1 259.737 1.662 20 0 CDADMM O=C([O-])c1cc(NC(=O)CCc2c[nH]nn2)ccc1Cl ZINC001608316013 1164488962 /nfs/dbraw/zinc/48/89/62/1164488962.db2.gz BXKVBZVFLWYQOK-UHFFFAOYSA-N -1 1 294.698 1.728 20 0 CDADMM O=C([O-])c1cc(NC(=O)CCc2cnn[nH]2)ccc1Cl ZINC001608316013 1164488967 /nfs/dbraw/zinc/48/89/67/1164488967.db2.gz BXKVBZVFLWYQOK-UHFFFAOYSA-N -1 1 294.698 1.728 20 0 CDADMM O=C([O-])CN(C1CCCC1)S(=O)(=O)c1ccccc1O ZINC001608744279 1164626502 /nfs/dbraw/zinc/62/65/02/1164626502.db2.gz WMAPSAPSLFVPAN-UHFFFAOYSA-N -1 1 299.348 1.410 20 0 CDADMM O=C([O-])Cc1cccc(NC(=O)c2ncccc2O)n1 ZINC001608786469 1164637239 /nfs/dbraw/zinc/63/72/39/1164637239.db2.gz MBINLGJHNQCADM-UHFFFAOYSA-N -1 1 273.248 1.062 20 0 CDADMM O=C([O-])c1ccnc(C(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC001608951469 1164692595 /nfs/dbraw/zinc/69/25/95/1164692595.db2.gz WKQWNTGVKWNGMM-JTQLQIEISA-N -1 1 286.291 1.310 20 0 CDADMM O=C([O-])c1ccnc(N[C@@H]2CCCc3cn[nH]c32)n1 ZINC001608953229 1164693562 /nfs/dbraw/zinc/69/35/62/1164693562.db2.gz AKUAXBPGQWVZMV-MRVPVSSYSA-N -1 1 259.269 1.387 20 0 CDADMM CC(C)(C)O[C@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001609079832 1164759648 /nfs/dbraw/zinc/75/96/48/1164759648.db2.gz VUTJZGOUECNTCR-PHIMTYICSA-N -1 1 288.355 1.442 20 0 CDADMM CC(C)(C)O[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001609079832 1164759653 /nfs/dbraw/zinc/75/96/53/1164759653.db2.gz VUTJZGOUECNTCR-PHIMTYICSA-N -1 1 288.355 1.442 20 0 CDADMM CC(C)N(C(=O)c1ccnc(-c2nnn[n-]2)c1)C1CCC1 ZINC001609097222 1164769931 /nfs/dbraw/zinc/76/99/31/1164769931.db2.gz JHKHIVMYGFIFAQ-UHFFFAOYSA-N -1 1 286.339 1.665 20 0 CDADMM CC(C)N(C(=O)c1ccnc(-c2nn[n-]n2)c1)C1CCC1 ZINC001609097222 1164769935 /nfs/dbraw/zinc/76/99/35/1164769935.db2.gz JHKHIVMYGFIFAQ-UHFFFAOYSA-N -1 1 286.339 1.665 20 0 CDADMM CC(F)(F)CCC(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001609116417 1164781256 /nfs/dbraw/zinc/78/12/56/1164781256.db2.gz LPWVTUXKNLRBJA-UHFFFAOYSA-N -1 1 297.265 1.740 20 0 CDADMM CC(F)(F)CCC(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001609116417 1164781265 /nfs/dbraw/zinc/78/12/65/1164781265.db2.gz LPWVTUXKNLRBJA-UHFFFAOYSA-N -1 1 297.265 1.740 20 0 CDADMM CC1(C)CCCN(Cn2cccc(-c3nn[n-]n3)c2=O)C1 ZINC001609145605 1164794586 /nfs/dbraw/zinc/79/45/86/1164794586.db2.gz UCQUPGBPOSMLAQ-UHFFFAOYSA-N -1 1 288.355 1.108 20 0 CDADMM C[C@@H]1C[C@@H](C)[C@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001609155048 1164801614 /nfs/dbraw/zinc/80/16/14/1164801614.db2.gz UOXMHSXZOMTZBK-BBBLOLIVSA-N -1 1 273.344 1.528 20 0 CDADMM C[C@@H]1C[C@@H](C)[C@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001609155048 1164801618 /nfs/dbraw/zinc/80/16/18/1164801618.db2.gz UOXMHSXZOMTZBK-BBBLOLIVSA-N -1 1 273.344 1.528 20 0 CDADMM CCCc1ccc(Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001609217687 1164849607 /nfs/dbraw/zinc/84/96/07/1164849607.db2.gz IGGOTYKHEPVWKT-UHFFFAOYSA-N -1 1 269.312 1.459 20 0 CDADMM CCN(Cc1ccccc1C)c1cncc(-c2nnn[n-]2)n1 ZINC001609225632 1164853626 /nfs/dbraw/zinc/85/36/26/1164853626.db2.gz RVSAABGEUYPZJX-UHFFFAOYSA-N -1 1 295.350 1.992 20 0 CDADMM CCN(Cc1ccccc1C)c1cncc(-c2nn[n-]n2)n1 ZINC001609225632 1164853634 /nfs/dbraw/zinc/85/36/34/1164853634.db2.gz RVSAABGEUYPZJX-UHFFFAOYSA-N -1 1 295.350 1.992 20 0 CDADMM CCn1cc([C@@H](C)Nc2cc(C)nc(-c3nnn[n-]3)c2)cn1 ZINC001609258626 1164866734 /nfs/dbraw/zinc/86/67/34/1164866734.db2.gz FEDUFAYQQZJREI-SNVBAGLBSA-N -1 1 298.354 1.382 20 0 CDADMM CCn1cc([C@@H](C)Nc2cc(C)nc(-c3nn[n-]n3)c2)cn1 ZINC001609258626 1164866739 /nfs/dbraw/zinc/86/67/39/1164866739.db2.gz FEDUFAYQQZJREI-SNVBAGLBSA-N -1 1 298.354 1.382 20 0 CDADMM CS[C@@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001609369933 1164912889 /nfs/dbraw/zinc/91/28/89/1164912889.db2.gz PPAJEVBLEZOLAS-JGVFFNPUSA-N -1 1 277.357 1.353 20 0 CDADMM CS[C@@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001609369933 1164912892 /nfs/dbraw/zinc/91/28/92/1164912892.db2.gz PPAJEVBLEZOLAS-JGVFFNPUSA-N 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ZCTJFYFJTIPFPX-UHFFFAOYSA-N -1 1 298.266 1.219 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc(-c2cnn(C)c2)no1 ZINC001609466605 1164961496 /nfs/dbraw/zinc/96/14/96/1164961496.db2.gz ZCTJFYFJTIPFPX-UHFFFAOYSA-N -1 1 298.266 1.219 20 0 CDADMM Cc1nsc(NC[C@H]2CCCC[C@@H]2O)c1-c1nn[n-]n1 ZINC001609466330 1164962109 /nfs/dbraw/zinc/96/21/09/1164962109.db2.gz OMXZJOISHVAZRQ-BDAKNGLRSA-N -1 1 294.384 1.595 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC1(C)CC1 ZINC001609468201 1164964931 /nfs/dbraw/zinc/96/49/31/1164964931.db2.gz KDKQTONCEMWXRA-UHFFFAOYSA-N -1 1 262.269 1.725 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC1(C)CC1 ZINC001609468201 1164964941 /nfs/dbraw/zinc/96/49/41/1164964941.db2.gz KDKQTONCEMWXRA-UHFFFAOYSA-N -1 1 262.269 1.725 20 0 CDADMM O=C(Nc1cccc(F)n1)c1cccc(-c2nnn[n-]2)n1 ZINC001609567342 1164990033 /nfs/dbraw/zinc/99/00/33/1164990033.db2.gz FAYBELIQEZKLMX-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(Nc1cccc(F)n1)c1cccc(-c2nn[n-]n2)n1 ZINC001609567342 1164990036 /nfs/dbraw/zinc/99/00/36/1164990036.db2.gz FAYBELIQEZKLMX-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@@H]1CC12CCCC2 ZINC001609577314 1164993052 /nfs/dbraw/zinc/99/30/52/1164993052.db2.gz GUOMVHBYXRYURQ-NSHDSACASA-N -1 1 299.334 1.885 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@@H]1CC12CCCC2 ZINC001609577314 1164993058 /nfs/dbraw/zinc/99/30/58/1164993058.db2.gz GUOMVHBYXRYURQ-NSHDSACASA-N -1 1 299.334 1.885 20 0 CDADMM c1cc(N2CCC[C@H]3CCC[C@@H]32)nc(-c2nn[n-]n2)n1 ZINC001609614376 1165009931 /nfs/dbraw/zinc/00/99/31/1165009931.db2.gz MYIQGVSMVZEXDM-ZJUUUORDSA-N -1 1 271.328 1.426 20 0 CDADMM c1ccc2c(c1)CC[C@H](Nc1ncncc1-c1nn[n-]n1)C2 ZINC001609618028 1165012106 /nfs/dbraw/zinc/01/21/06/1165012106.db2.gz MMVWQMBSIXDUJX-LBPRGKRZSA-N -1 1 293.334 1.626 20 0 CDADMM c1ccc2c(c1)CC(CNc1cncc(-c3nnn[n-]3)n1)C2 ZINC001609618063 1165012673 /nfs/dbraw/zinc/01/26/73/1165012673.db2.gz NRDGDCDHBGBXQF-UHFFFAOYSA-N -1 1 293.334 1.484 20 0 CDADMM c1ccc2c(c1)CC(CNc1cncc(-c3nn[n-]n3)n1)C2 ZINC001609618063 1165012677 /nfs/dbraw/zinc/01/26/77/1165012677.db2.gz NRDGDCDHBGBXQF-UHFFFAOYSA-N -1 1 293.334 1.484 20 0 CDADMM c1cc([C@H]2CCCN(c3cccnc3-c3nn[n-]n3)C2)n[nH]1 ZINC001609619723 1165013956 /nfs/dbraw/zinc/01/39/56/1165013956.db2.gz ZPUNNJMLCUVIEM-JTQLQIEISA-N -1 1 296.338 1.369 20 0 CDADMM C[C@H](N[C@H](C(=O)[O-])C1CC1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC001609775804 1165075975 /nfs/dbraw/zinc/07/59/75/1165075975.db2.gz ORMUMTOFZIQRPF-UKJIMTQDSA-N -1 1 282.384 1.523 20 0 CDADMM C[C@@H](NCCC1OCCO1)c1ncc(C(=O)[O-])s1 ZINC001609781301 1165078678 /nfs/dbraw/zinc/07/86/78/1165078678.db2.gz VYUZFZUAIGFPKB-SSDOTTSWSA-N -1 1 272.326 1.255 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1=CCCCC1 ZINC001609868139 1165122103 /nfs/dbraw/zinc/12/21/03/1165122103.db2.gz PUYGLVSVPUJGNC-LBPRGKRZSA-N -1 1 280.368 1.494 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001609870522 1165123172 /nfs/dbraw/zinc/12/31/72/1165123172.db2.gz 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ZINC001647293746 1168532734 /nfs/dbraw/zinc/53/27/34/1168532734.db2.gz HJMLLWWYPOHFAZ-UHFFFAOYSA-N -1 1 296.356 1.327 20 0 CDADMM Cc1ccn2ncc(C(=O)N(C)C[C@H](C)c3nn[n-]n3)c2c1 ZINC001567310446 1168672721 /nfs/dbraw/zinc/67/27/21/1168672721.db2.gz XLNGBUPOXYDVSU-JTQLQIEISA-N -1 1 299.338 1.032 20 0 CDADMM C[C@H](CN(C)C(=O)c1cc2ncccc2o1)c1nn[n-]n1 ZINC001567310612 1168673009 /nfs/dbraw/zinc/67/30/09/1168673009.db2.gz YZPJVTPUSMZOHP-MRVPVSSYSA-N -1 1 286.295 1.217 20 0 CDADMM CN(CC1CC1)c1nnc(-c2c[n-][nH]c2=O)n1CC1CC1 ZINC001649276617 1169164681 /nfs/dbraw/zinc/16/46/81/1169164681.db2.gz OYEXMMGFJGPSAZ-UHFFFAOYSA-N -1 1 288.355 1.630 20 0 CDADMM CO[C@@H](CS(=O)(=O)[N-]c1c[nH]nc1C(C)C)C(C)C ZINC001649947140 1169527147 /nfs/dbraw/zinc/52/71/47/1169527147.db2.gz HYPMVCAVMVRWCY-NSHDSACASA-N -1 1 289.401 1.946 20 0 CDADMM CC(C)(C)n1cc(CN2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])nn1 ZINC001573475458 1170669497 /nfs/dbraw/zinc/66/94/97/1170669497.db2.gz OSOJWOBJVLBMEL-WCQGTBRESA-N -1 1 278.356 1.471 20 0 CDADMM C[C@@H](N[C@@H]1CCC12CCCC2)c1nc(C(=O)[O-])n[nH]1 ZINC001573570690 1170694880 /nfs/dbraw/zinc/69/48/80/1170694880.db2.gz DDXGHCSJOLKHTL-RKDXNWHRSA-N -1 1 264.329 1.876 20 0 CDADMM Cc1nc(C)c(C(=O)Nc2[nH]nc(C(=O)[O-])c2C2CC2)[nH]1 ZINC001574180702 1170908947 /nfs/dbraw/zinc/90/89/47/1170908947.db2.gz LFNIXLAXPXKZFN-UHFFFAOYSA-N -1 1 289.295 1.578 20 0 CDADMM C[C@H](CCNc1ccnc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574671951 1170998288 /nfs/dbraw/zinc/99/82/88/1170998288.db2.gz DBKVGHOBABNJIP-SNVBAGLBSA-N -1 1 289.387 1.953 20 0 CDADMM CN(Cc1ccoc1)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001579261306 1172128851 /nfs/dbraw/zinc/12/88/51/1172128851.db2.gz SPVVVFFRDLNDJY-UHFFFAOYSA-N -1 1 289.320 1.793 20 0 CDADMM Cc1cc(N)cc(CNC(=O)c2ccc([O-])cn2)c1 ZINC001579620348 1172225934 /nfs/dbraw/zinc/22/59/34/1172225934.db2.gz YUJKCIYHRMNWMS-UHFFFAOYSA-N -1 1 257.293 1.608 20 0 CDADMM O=C(Cn1ccc(-c2nn[n-]n2)cc1=O)c1ccc(F)cc1 ZINC001582191910 1172659887 /nfs/dbraw/zinc/65/98/87/1172659887.db2.gz IVZCIRIRGHGYPH-UHFFFAOYSA-N -1 1 299.265 1.050 20 0 CDADMM O=C(OCCCc1ccncc1)c1coc(-c2nnn[n-]2)c1 ZINC001582654682 1172686332 /nfs/dbraw/zinc/68/63/32/1172686332.db2.gz LSLARDJKBXWKDJ-UHFFFAOYSA-N -1 1 299.290 1.644 20 0 CDADMM O=C(OCCCc1ccncc1)c1coc(-c2nn[n-]n2)c1 ZINC001582654682 1172686336 /nfs/dbraw/zinc/68/63/36/1172686336.db2.gz LSLARDJKBXWKDJ-UHFFFAOYSA-N -1 1 299.290 1.644 20 0 CDADMM O=C(OCc1cnsc1)c1ccsc1-c1nnn[n-]1 ZINC001582656518 1172687905 /nfs/dbraw/zinc/68/79/05/1172687905.db2.gz VUHFOEXAPPSGPQ-UHFFFAOYSA-N -1 1 293.333 1.742 20 0 CDADMM O=C(OCc1cnsc1)c1ccsc1-c1nn[n-]n1 ZINC001582656518 1172687910 /nfs/dbraw/zinc/68/79/10/1172687910.db2.gz VUHFOEXAPPSGPQ-UHFFFAOYSA-N -1 1 293.333 1.742 20 0 CDADMM COc1ccc(N(C)C(=O)c2ccc([O-])cn2)cn1 ZINC001583660291 1172772592 /nfs/dbraw/zinc/77/25/92/1172772592.db2.gz OJONIYSJMMZUQP-UHFFFAOYSA-N -1 1 259.265 1.467 20 0 CDADMM Cn1ccsc1=NC(=O)c1cccc([O-])c1F ZINC001583893606 1172785857 /nfs/dbraw/zinc/78/58/57/1172785857.db2.gz MAFSSNXSAXETBW-UHFFFAOYSA-N -1 1 252.270 1.672 20 0 CDADMM CC(C)(C)C(=O)COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589074437 1173122404 /nfs/dbraw/zinc/12/24/04/1173122404.db2.gz AYWOGPAAUYBHIT-UHFFFAOYSA-N -1 1 289.295 1.034 20 0 CDADMM CC(C)(C)C(=O)COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589074437 1173122406 /nfs/dbraw/zinc/12/24/06/1173122406.db2.gz AYWOGPAAUYBHIT-UHFFFAOYSA-N -1 1 289.295 1.034 20 0 CDADMM CC(C)(C)[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001589104885 1173124492 /nfs/dbraw/zinc/12/44/92/1173124492.db2.gz IXMDTPOQSIYSLT-LLVKDONJSA-N -1 1 288.355 1.513 20 0 CDADMM CC(C)(C)[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001589104885 1173124494 /nfs/dbraw/zinc/12/44/94/1173124494.db2.gz IXMDTPOQSIYSLT-LLVKDONJSA-N -1 1 288.355 1.513 20 0 CDADMM CC(C)(CF)NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001589277791 1173134812 /nfs/dbraw/zinc/13/48/12/1173134812.db2.gz BTSUJCRZVBPZCW-UHFFFAOYSA-N -1 1 298.347 1.476 20 0 CDADMM CC(C)[C@H](Nc1ncncc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001589477038 1173148850 /nfs/dbraw/zinc/14/88/50/1173148850.db2.gz YQGGIGXFZXCLIN-NSHDSACASA-N -1 1 299.342 1.199 20 0 CDADMM CC(C)CN(c1cc(-c2nnn[n-]2)ncn1)C1CC1 ZINC001589628999 1173162604 /nfs/dbraw/zinc/16/26/04/1173162604.db2.gz WXDBSJVOVFFMHE-UHFFFAOYSA-N -1 1 259.317 1.282 20 0 CDADMM CC(C)CN(c1cc(-c2nn[n-]n2)ncn1)C1CC1 ZINC001589628999 1173162609 /nfs/dbraw/zinc/16/26/09/1173162609.db2.gz WXDBSJVOVFFMHE-UHFFFAOYSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@@H](CC(F)(F)F)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589799447 1173185620 /nfs/dbraw/zinc/18/56/20/1173185620.db2.gz VEXLHJUTKRLULX-YFKPBYRVSA-N -1 1 289.217 1.530 20 0 CDADMM C[C@@H](CC(F)(F)F)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589799447 1173185627 /nfs/dbraw/zinc/18/56/27/1173185627.db2.gz VEXLHJUTKRLULX-YFKPBYRVSA-N -1 1 289.217 1.530 20 0 CDADMM C[C@@H](COCc1ccccc1)Cn1cc(-c2nn[n-]n2)nn1 ZINC001589885743 1173194594 /nfs/dbraw/zinc/19/45/94/1173194594.db2.gz PRDOQFCPGNLWJT-LLVKDONJSA-N -1 1 299.338 1.311 20 0 CDADMM CC(C)n1cc([C@@H](C)Nc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC001589985796 1173220947 /nfs/dbraw/zinc/22/09/47/1173220947.db2.gz QIMCSUPDDXLXIO-SNVBAGLBSA-N -1 1 298.354 1.634 20 0 CDADMM CC(C)n1cc([C@@H](C)Nc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC001589985796 1173220952 /nfs/dbraw/zinc/22/09/52/1173220952.db2.gz QIMCSUPDDXLXIO-SNVBAGLBSA-N -1 1 298.354 1.634 20 0 CDADMM C[C@@H](c1cccnc1)N(C)c1cc(-c2nnn[n-]2)ncn1 ZINC001590050606 1173240766 /nfs/dbraw/zinc/24/07/66/1173240766.db2.gz LUXQGBHRNSINFL-VIFPVBQESA-N -1 1 282.311 1.249 20 0 CDADMM C[C@@H](c1cccnc1)N(C)c1cc(-c2nn[n-]n2)ncn1 ZINC001590050606 1173240767 /nfs/dbraw/zinc/24/07/67/1173240767.db2.gz LUXQGBHRNSINFL-VIFPVBQESA-N -1 1 282.311 1.249 20 0 CDADMM CC1(C)CC[C@H]1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590092680 1173253126 /nfs/dbraw/zinc/25/31/26/1173253126.db2.gz KKUURTBDHFEVTK-SNVBAGLBSA-N -1 1 272.312 1.180 20 0 CDADMM CC1(C)CC[C@H]1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590092680 1173253130 /nfs/dbraw/zinc/25/31/30/1173253130.db2.gz KKUURTBDHFEVTK-SNVBAGLBSA-N -1 1 272.312 1.180 20 0 CDADMM CC1=C[C@@H](C)CN(c2ccc(C)c(-c3nnn[n-]3)n2)C1 ZINC001590157784 1173274507 /nfs/dbraw/zinc/27/45/07/1173274507.db2.gz QTYHDFHIYPCNKJ-SECBINFHSA-N -1 1 270.340 1.973 20 0 CDADMM CC1=C[C@@H](C)CN(c2ccc(C)c(-c3nn[n-]n3)n2)C1 ZINC001590157784 1173274514 /nfs/dbraw/zinc/27/45/14/1173274514.db2.gz QTYHDFHIYPCNKJ-SECBINFHSA-N -1 1 270.340 1.973 20 0 CDADMM C[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCS1 ZINC001590212703 1173295314 /nfs/dbraw/zinc/29/53/14/1173295314.db2.gz SZPBEQJYKUKOPJ-JGVFFNPUSA-N -1 1 277.357 1.353 20 0 CDADMM C[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCS1 ZINC001590212703 1173295319 /nfs/dbraw/zinc/29/53/19/1173295319.db2.gz SZPBEQJYKUKOPJ-JGVFFNPUSA-N -1 1 277.357 1.353 20 0 CDADMM C[C@@H]1C[C@H]1c1noc(-c2ccc(-c3nn[n-]n3)o2)n1 ZINC001590220464 1173300987 /nfs/dbraw/zinc/30/09/87/1173300987.db2.gz PLLPAOLWPVQPLI-PHDIDXHHSA-N -1 1 258.241 1.633 20 0 CDADMM C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc(-c2nnn[n-]2)o1 ZINC001590226686 1173303935 /nfs/dbraw/zinc/30/39/35/1173303935.db2.gz RTOQUVIJYAKWGC-RKDXNWHRSA-N -1 1 291.311 1.145 20 0 CDADMM C[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1ccc(-c2nn[n-]n2)o1 ZINC001590226686 1173303958 /nfs/dbraw/zinc/30/39/58/1173303958.db2.gz RTOQUVIJYAKWGC-RKDXNWHRSA-N -1 1 291.311 1.145 20 0 CDADMM C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc(-c2nn[n-]n2)o1 ZINC001590226686 1173303964 /nfs/dbraw/zinc/30/39/64/1173303964.db2.gz RTOQUVIJYAKWGC-RKDXNWHRSA-N -1 1 291.311 1.145 20 0 CDADMM C[C@H]1CC[C@@H](NC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590234948 1173308114 /nfs/dbraw/zinc/30/81/14/1173308114.db2.gz AUFPBALOKAIEMR-WCBMZHEXSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@H]1CC[C@@H](NC(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590234948 1173308120 /nfs/dbraw/zinc/30/81/20/1173308120.db2.gz AUFPBALOKAIEMR-WCBMZHEXSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@H]1CC[C@@H](OC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590239032 1173312387 /nfs/dbraw/zinc/31/23/87/1173312387.db2.gz KFRCSXVIGLYSKA-WCBMZHEXSA-N -1 1 273.296 1.607 20 0 CDADMM C[C@H]1CC[C@@H](OC(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590239032 1173312393 /nfs/dbraw/zinc/31/23/93/1173312393.db2.gz KFRCSXVIGLYSKA-WCBMZHEXSA-N -1 1 273.296 1.607 20 0 CDADMM C[C@@H]1CCC[C@@H]1CC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590248498 1173316318 /nfs/dbraw/zinc/31/63/18/1173316318.db2.gz OOHAXXQCDBMJPH-HTQZYQBOSA-N -1 1 275.316 1.355 20 0 CDADMM CC1CN(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001590294983 1173338282 /nfs/dbraw/zinc/33/82/82/1173338282.db2.gz ZAZYTLQYFFUKMX-UHFFFAOYSA-N -1 1 299.747 1.460 20 0 CDADMM C[C@@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)[C@H](C)[C@@H](C)O1 ZINC001590300748 1173344766 /nfs/dbraw/zinc/34/47/66/1173344766.db2.gz DXXRXTWSDJMCRF-IWSPIJDZSA-N -1 1 291.311 1.098 20 0 CDADMM C[C@@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)[C@H](C)[C@@H](C)O1 ZINC001590300748 1173344773 /nfs/dbraw/zinc/34/47/73/1173344773.db2.gz DXXRXTWSDJMCRF-IWSPIJDZSA-N -1 1 291.311 1.098 20 0 CDADMM C[C@H]1CSC[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC001590329808 1173361194 /nfs/dbraw/zinc/36/11/94/1173361194.db2.gz RVOGFOGFZWZQCU-IONNQARKSA-N -1 1 262.342 1.425 20 0 CDADMM C[C@H]1CSC[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC001590329808 1173361201 /nfs/dbraw/zinc/36/12/01/1173361201.db2.gz RVOGFOGFZWZQCU-IONNQARKSA-N -1 1 262.342 1.425 20 0 CDADMM CCC1(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CCC1 ZINC001590488823 1173430362 /nfs/dbraw/zinc/43/03/62/1173430362.db2.gz ZSISNCQHYVWKLA-UHFFFAOYSA-N -1 1 261.289 1.109 20 0 CDADMM CCC1(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CCC1 ZINC001590488823 1173430363 /nfs/dbraw/zinc/43/03/63/1173430363.db2.gz ZSISNCQHYVWKLA-UHFFFAOYSA-N -1 1 261.289 1.109 20 0 CDADMM CC[C@]1(C)CCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001590490462 1173430925 /nfs/dbraw/zinc/43/09/25/1173430925.db2.gz NQIUDCVIAUAJGW-GFCCVEGCSA-N -1 1 259.317 1.283 20 0 CDADMM CC[C@@H]1CCCN1Cn1ccc(C)c(-c2nnn[n-]2)c1=O ZINC001590514667 1173446728 /nfs/dbraw/zinc/44/67/28/1173446728.db2.gz VUYBJBGEAGADER-LLVKDONJSA-N -1 1 288.355 1.169 20 0 CDADMM CCCC(=O)Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001590530862 1173454290 /nfs/dbraw/zinc/45/42/90/1173454290.db2.gz HICNMLIBOCOQQK-UHFFFAOYSA-N -1 1 297.322 1.494 20 0 CDADMM CCN(CCC(F)(F)F)c1cnc(-c2nnn[n-]2)cn1 ZINC001590692071 1173493177 /nfs/dbraw/zinc/49/31/77/1173493177.db2.gz GITHAFRVFRDQQS-UHFFFAOYSA-N -1 1 287.249 1.435 20 0 CDADMM CCN(CCC(F)(F)F)c1cnc(-c2nn[n-]n2)cn1 ZINC001590692071 1173493182 /nfs/dbraw/zinc/49/31/82/1173493182.db2.gz GITHAFRVFRDQQS-UHFFFAOYSA-N -1 1 287.249 1.435 20 0 CDADMM CCOCc1ccc(Nc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001590816480 1173519551 /nfs/dbraw/zinc/51/95/51/1173519551.db2.gz KRRDWXDIGGTCCB-UHFFFAOYSA-N -1 1 296.334 1.964 20 0 CDADMM CCOCc1ccc(Nc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001590816480 1173519559 /nfs/dbraw/zinc/51/95/59/1173519559.db2.gz KRRDWXDIGGTCCB-UHFFFAOYSA-N -1 1 296.334 1.964 20 0 CDADMM CCOc1cccc(NCc2cccc(-c3nnn[n-]3)n2)n1 ZINC001590842202 1173525102 /nfs/dbraw/zinc/52/51/02/1173525102.db2.gz VAOUEVBJMJCAPD-UHFFFAOYSA-N -1 1 297.322 1.668 20 0 CDADMM CCOc1cccc(NCc2cccc(-c3nn[n-]n3)n2)n1 ZINC001590842202 1173525112 /nfs/dbraw/zinc/52/51/12/1173525112.db2.gz VAOUEVBJMJCAPD-UHFFFAOYSA-N -1 1 297.322 1.668 20 0 CDADMM CC[C@@H]1OCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590861668 1173530166 /nfs/dbraw/zinc/53/01/66/1173530166.db2.gz QDWAZODCVFWISX-ZJUUUORDSA-N -1 1 291.311 1.065 20 0 CDADMM CC[C@@H]1OCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590861668 1173530173 /nfs/dbraw/zinc/53/01/73/1173530173.db2.gz QDWAZODCVFWISX-ZJUUUORDSA-N -1 1 291.311 1.065 20 0 CDADMM CCc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)no1 ZINC001590876791 1173534251 /nfs/dbraw/zinc/53/42/51/1173534251.db2.gz AOKJOZYHLMLNEA-UHFFFAOYSA-N -1 1 299.294 1.089 20 0 CDADMM CCc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)no1 ZINC001590876791 1173534255 /nfs/dbraw/zinc/53/42/55/1173534255.db2.gz AOKJOZYHLMLNEA-UHFFFAOYSA-N -1 1 299.294 1.089 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H]2C(C)C)n1 ZINC001590906224 1173538464 /nfs/dbraw/zinc/53/84/64/1173538464.db2.gz AKTKTKIOZDCVMF-NSHDSACASA-N -1 1 287.371 1.844 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H]2C(C)C)n1 ZINC001590906224 1173538467 /nfs/dbraw/zinc/53/84/67/1173538467.db2.gz AKTKTKIOZDCVMF-NSHDSACASA-N -1 1 287.371 1.844 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](C)[C@H](F)C2)n1 ZINC001590905973 1173539497 /nfs/dbraw/zinc/53/94/97/1173539497.db2.gz UEMZOEIPGBUZAI-DTWKUNHWSA-N -1 1 291.334 1.403 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](C)[C@H](F)C2)n1 ZINC001590905973 1173539502 /nfs/dbraw/zinc/53/95/02/1173539502.db2.gz UEMZOEIPGBUZAI-DTWKUNHWSA-N -1 1 291.334 1.403 20 0 CDADMM CCc1nc(N[C@H]2[C@@H]3CCC[C@@H]32)cc(-c2nnn[n-]2)n1 ZINC001590916185 1173542327 /nfs/dbraw/zinc/54/23/27/1173542327.db2.gz KDZSHBISBHBTRE-JDICNCQASA-N -1 1 271.328 1.430 20 0 CDADMM CCc1nc(N[C@H]2[C@@H]3CCC[C@@H]32)cc(-c2nn[n-]n2)n1 ZINC001590916185 1173542330 /nfs/dbraw/zinc/54/23/30/1173542330.db2.gz KDZSHBISBHBTRE-JDICNCQASA-N -1 1 271.328 1.430 20 0 CDADMM CCn1cc(Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)cn1 ZINC001590954862 1173550117 /nfs/dbraw/zinc/55/01/17/1173550117.db2.gz BKEGXOLLBCEMFY-UHFFFAOYSA-N -1 1 297.326 1.494 20 0 CDADMM CCn1cc(Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)cn1 ZINC001590954862 1173550122 /nfs/dbraw/zinc/55/01/22/1173550122.db2.gz BKEGXOLLBCEMFY-UHFFFAOYSA-N -1 1 297.326 1.494 20 0 CDADMM CN(C)c1ccc(Nc2ccnc(-c3nnn[n-]3)c2)cc1F ZINC001591033340 1173563622 /nfs/dbraw/zinc/56/36/22/1173563622.db2.gz OHFUIXDUEAZHAY-UHFFFAOYSA-N -1 1 299.313 1.632 20 0 CDADMM CN(C)c1ccc(Nc2ccnc(-c3nn[n-]n3)c2)cc1F ZINC001591033340 1173563627 /nfs/dbraw/zinc/56/36/27/1173563627.db2.gz OHFUIXDUEAZHAY-UHFFFAOYSA-N -1 1 299.313 1.632 20 0 CDADMM CN(CCOc1ccccc1)c1cccnc1-c1nnn[n-]1 ZINC001591116476 1173571014 /nfs/dbraw/zinc/57/10/14/1173571014.db2.gz SSLALOUOCJBZHF-UHFFFAOYSA-N -1 1 296.334 1.777 20 0 CDADMM CN(CCOc1ccccc1)c1cccnc1-c1nn[n-]n1 ZINC001591116476 1173571018 /nfs/dbraw/zinc/57/10/18/1173571018.db2.gz SSLALOUOCJBZHF-UHFFFAOYSA-N -1 1 296.334 1.777 20 0 CDADMM COC(=O)CCSc1cc(C)cc(F)c1-c1nn[n-]n1 ZINC001591264851 1173599796 /nfs/dbraw/zinc/59/97/96/1173599796.db2.gz DEFQIBNRCNHOPA-UHFFFAOYSA-N -1 1 296.327 1.969 20 0 CDADMM CO[C@H](C(=O)Nc1ncc(-c2nnn[n-]2)s1)C1CCC1 ZINC001591317993 1173604440 /nfs/dbraw/zinc/60/44/40/1173604440.db2.gz YMUCLXJELHTLSK-QMMMGPOBSA-N -1 1 294.340 1.077 20 0 CDADMM CO[C@H](C(=O)Nc1ncc(-c2nn[n-]n2)s1)C1CCC1 ZINC001591317993 1173604443 /nfs/dbraw/zinc/60/44/43/1173604443.db2.gz YMUCLXJELHTLSK-QMMMGPOBSA-N -1 1 294.340 1.077 20 0 CDADMM CO[C@@](C)(CNc1cc(C)nc(-c2nnn[n-]2)c1)C1CC1 ZINC001591319032 1173605535 /nfs/dbraw/zinc/60/55/35/1173605535.db2.gz ZIQDNKBIQFYOMU-AWEZNQCLSA-N -1 1 288.355 1.797 20 0 CDADMM CO[C@@](C)(CNc1cc(C)nc(-c2nn[n-]n2)c1)C1CC1 ZINC001591319032 1173605541 /nfs/dbraw/zinc/60/55/41/1173605541.db2.gz ZIQDNKBIQFYOMU-AWEZNQCLSA-N -1 1 288.355 1.797 20 0 CDADMM CO[C@@H]1CCC[C@@H]1Sc1cccnc1-c1nnn[n-]1 ZINC001591363427 1173632310 /nfs/dbraw/zinc/63/23/10/1173632310.db2.gz WQKMWZNPNQIIAU-BDAKNGLRSA-N -1 1 277.353 1.921 20 0 CDADMM CO[C@@H]1CCC[C@@H]1Sc1cccnc1-c1nn[n-]n1 ZINC001591363427 1173632312 /nfs/dbraw/zinc/63/23/12/1173632312.db2.gz WQKMWZNPNQIIAU-BDAKNGLRSA-N -1 1 277.353 1.921 20 0 CDADMM COCC[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591398164 1173644872 /nfs/dbraw/zinc/64/48/72/1173644872.db2.gz BYNQKBGTGWGGFU-RXMQYKEDSA-N -1 1 288.764 1.814 20 0 CDADMM COCc1cccc(Nc2ncncc2-c2nn[n-]n2)c1 ZINC001591458398 1173654950 /nfs/dbraw/zinc/65/49/50/1173654950.db2.gz ZFFWOWGFBUCRPL-UHFFFAOYSA-N -1 1 283.295 1.547 20 0 CDADMM C[C@@H]1CC=CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001591732028 1173694962 /nfs/dbraw/zinc/69/49/62/1173694962.db2.gz BLNJSRXACXJJLR-RKDXNWHRSA-N -1 1 257.301 1.423 20 0 CDADMM C[C@@H]1CC=CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001591732028 1173694963 /nfs/dbraw/zinc/69/49/63/1173694963.db2.gz BLNJSRXACXJJLR-RKDXNWHRSA-N -1 1 257.301 1.423 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC(C)(C)CC2)n1 ZINC001591888725 1173738169 /nfs/dbraw/zinc/73/81/69/1173738169.db2.gz GXZNYBSQNBZFES-UHFFFAOYSA-N -1 1 287.371 1.982 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC(C)(C)CC2)n1 ZINC001591888725 1173738176 /nfs/dbraw/zinc/73/81/76/1173738176.db2.gz GXZNYBSQNBZFES-UHFFFAOYSA-N -1 1 287.371 1.982 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](C3CCC3)C2)n1 ZINC001591888750 1173738471 /nfs/dbraw/zinc/73/84/71/1173738471.db2.gz IZGDSBSNPXWZCP-GFCCVEGCSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](C3CCC3)C2)n1 ZINC001591888750 1173738475 /nfs/dbraw/zinc/73/84/75/1173738475.db2.gz IZGDSBSNPXWZCP-GFCCVEGCSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2C=CCC2)n1 ZINC001591895096 1173741006 /nfs/dbraw/zinc/74/10/06/1173741006.db2.gz RHATVXNNCODXRT-SECBINFHSA-N -1 1 257.301 1.343 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2C=CCC2)n1 ZINC001591895096 1173741010 /nfs/dbraw/zinc/74/10/10/1173741010.db2.gz RHATVXNNCODXRT-SECBINFHSA-N -1 1 257.301 1.343 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCS[C@@H]2C)n1 ZINC001591893313 1173742401 /nfs/dbraw/zinc/74/24/01/1173742401.db2.gz AQZVUPRKBKQBJK-HTQZYQBOSA-N -1 1 277.357 1.271 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCS[C@@H]2C)n1 ZINC001591893313 1173742406 /nfs/dbraw/zinc/74/24/06/1173742406.db2.gz AQZVUPRKBKQBJK-HTQZYQBOSA-N -1 1 277.357 1.271 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC2C[C@H](C)O[C@@H](C)C2)n1 ZINC001591892603 1173742525 /nfs/dbraw/zinc/74/25/25/1173742525.db2.gz VOZMNRIQPGUAOS-IUCAKERBSA-N -1 1 289.343 1.333 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC2C[C@H](C)O[C@@H](C)C2)n1 ZINC001591892603 1173742529 /nfs/dbraw/zinc/74/25/29/1173742529.db2.gz VOZMNRIQPGUAOS-IUCAKERBSA-N -1 1 289.343 1.333 20 0 CDADMM Cc1cc(N(C)Cc2ccncc2)cc(-c2nnn[n-]2)n1 ZINC001591996816 1173767112 /nfs/dbraw/zinc/76/71/12/1173767112.db2.gz JVKMYVNZXPHEIN-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1cc(N(C)Cc2ccncc2)cc(-c2nn[n-]n2)n1 ZINC001591996816 1173767117 /nfs/dbraw/zinc/76/71/17/1173767117.db2.gz JVKMYVNZXPHEIN-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1cc(N(C)C[C@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001591995799 1173767743 /nfs/dbraw/zinc/76/77/43/1173767743.db2.gz MPHBSSCKCSFXPF-SNVBAGLBSA-N -1 1 274.328 1.043 20 0 CDADMM Cc1cc(N(C)C[C@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001591995799 1173767746 /nfs/dbraw/zinc/76/77/46/1173767746.db2.gz MPHBSSCKCSFXPF-SNVBAGLBSA-N -1 1 274.328 1.043 20 0 CDADMM Cc1cc(N[C@H]2COC(C)(C)C2)nc(-c2nnn[n-]2)c1 ZINC001592040301 1173780779 /nfs/dbraw/zinc/78/07/79/1173780779.db2.gz VSHSDLWIHHKYHI-SECBINFHSA-N -1 1 274.328 1.550 20 0 CDADMM Cc1cc(N[C@H]2COC(C)(C)C2)nc(-c2nn[n-]n2)c1 ZINC001592040301 1173780782 /nfs/dbraw/zinc/78/07/82/1173780782.db2.gz VSHSDLWIHHKYHI-SECBINFHSA-N -1 1 274.328 1.550 20 0 CDADMM Cc1cc(CNc2cc(C)cc(-c3nnn[n-]3)n2)n(C)n1 ZINC001592052176 1173787531 /nfs/dbraw/zinc/78/75/31/1173787531.db2.gz BEXIDGJULIJKFS-UHFFFAOYSA-N -1 1 284.327 1.224 20 0 CDADMM Cc1cc(CNc2cc(C)cc(-c3nn[n-]n3)n2)n(C)n1 ZINC001592052176 1173787536 /nfs/dbraw/zinc/78/75/36/1173787536.db2.gz BEXIDGJULIJKFS-UHFFFAOYSA-N -1 1 284.327 1.224 20 0 CDADMM Cc1nnsc1CNc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001592053408 1173789438 /nfs/dbraw/zinc/78/94/38/1173789438.db2.gz BACOWAIRAWBETE-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Cc1nnsc1CNc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001592053408 1173789441 /nfs/dbraw/zinc/78/94/41/1173789441.db2.gz BACOWAIRAWBETE-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Cc1ccc(N2CCC[C@@H]([C@H](C)O)C2)nc1-c1nnn[n-]1 ZINC001592177848 1173825920 /nfs/dbraw/zinc/82/59/20/1173825920.db2.gz LVPKDEQVUZTXTE-WDEREUQCSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(N2CCC[C@@H]([C@H](C)O)C2)nc1-c1nn[n-]n1 ZINC001592177848 1173825925 /nfs/dbraw/zinc/82/59/25/1173825925.db2.gz LVPKDEQVUZTXTE-WDEREUQCSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccn(CSC(C)C)c(=O)c1-c1nn[n-]n1 ZINC001592267599 1173838751 /nfs/dbraw/zinc/83/87/51/1173838751.db2.gz RDQOWBOLEFVVDI-UHFFFAOYSA-N -1 1 265.342 1.436 20 0 CDADMM Cc1csc(CCNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001592314316 1173851327 /nfs/dbraw/zinc/85/13/27/1173851327.db2.gz NKWXUZBQCRQVPT-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM Cc1csc(CCNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001592314316 1173851333 /nfs/dbraw/zinc/85/13/33/1173851333.db2.gz NKWXUZBQCRQVPT-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM Cc1[nH]nc(NC(=O)C2=CCCCCC2)c1-c1nn[n-]n1 ZINC001592327665 1173855306 /nfs/dbraw/zinc/85/53/06/1173855306.db2.gz LHXDILRUAZINMG-UHFFFAOYSA-N -1 1 287.327 1.727 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](C(C)C)C2)n1 ZINC001592337804 1173858357 /nfs/dbraw/zinc/85/83/57/1173858357.db2.gz OSBLGJRDUCOLPL-SNVBAGLBSA-N -1 1 273.344 1.447 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](C(C)C)C2)n1 ZINC001592337804 1173858365 /nfs/dbraw/zinc/85/83/65/1173858365.db2.gz OSBLGJRDUCOLPL-SNVBAGLBSA-N -1 1 273.344 1.447 20 0 CDADMM COc1ccc(CN(C)Cc2cnn(C)c2)cc1C(=O)[O-] ZINC000087829515 1173875236 /nfs/dbraw/zinc/87/52/36/1173875236.db2.gz LZKLBXXZVXOKAQ-UHFFFAOYSA-N -1 1 289.335 1.759 20 0 CDADMM Cc1nc(NC[C@@H](C)c2ccncc2)cc(-c2nnn[n-]2)n1 ZINC001592384440 1173877405 /nfs/dbraw/zinc/87/74/05/1173877405.db2.gz LNYWFRXHEZCAKK-SECBINFHSA-N -1 1 296.338 1.576 20 0 CDADMM Cc1nc(NC[C@@H](C)c2ccncc2)cc(-c2nn[n-]n2)n1 ZINC001592384440 1173877408 /nfs/dbraw/zinc/87/74/08/1173877408.db2.gz LNYWFRXHEZCAKK-SECBINFHSA-N -1 1 296.338 1.576 20 0 CDADMM Cc1cccnc1CCNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001592393477 1173880003 /nfs/dbraw/zinc/88/00/03/1173880003.db2.gz SXEUUEJWHAUMEH-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1cccnc1CCNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001592393477 1173880012 /nfs/dbraw/zinc/88/00/12/1173880012.db2.gz SXEUUEJWHAUMEH-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1nc(S[C@H]2CCO[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592397267 1173882251 /nfs/dbraw/zinc/88/22/51/1173882251.db2.gz MLLQTEWWMPVFGG-MUWHJKNJSA-N -1 1 278.341 1.235 20 0 CDADMM Cc1nc(S[C@H]2CCO[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592397267 1173882256 /nfs/dbraw/zinc/88/22/56/1173882256.db2.gz MLLQTEWWMPVFGG-MUWHJKNJSA-N -1 1 278.341 1.235 20 0 CDADMM Cc1nn(C)c(NC(=O)C2CCCCC2)c1-c1nnn[n-]1 ZINC001592433764 1173887491 /nfs/dbraw/zinc/88/74/91/1173887491.db2.gz IWJRKPOTFSJJAQ-UHFFFAOYSA-N -1 1 289.343 1.427 20 0 CDADMM Cc1nn(C)c(NC(=O)C2CCCCC2)c1-c1nn[n-]n1 ZINC001592433764 1173887496 /nfs/dbraw/zinc/88/74/96/1173887496.db2.gz IWJRKPOTFSJJAQ-UHFFFAOYSA-N -1 1 289.343 1.427 20 0 CDADMM Cc1ncncc1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001592421039 1173888773 /nfs/dbraw/zinc/88/87/73/1173888773.db2.gz GKANEQVGPNPVQL-UHFFFAOYSA-N -1 1 299.269 1.357 20 0 CDADMM Cc1ncncc1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001592421039 1173888777 /nfs/dbraw/zinc/88/87/77/1173888777.db2.gz GKANEQVGPNPVQL-UHFFFAOYSA-N -1 1 299.269 1.357 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC001592496818 1173906234 /nfs/dbraw/zinc/90/62/34/1173906234.db2.gz LRCFDNRSFDENIG-OCAPTIKFSA-N -1 1 295.249 1.105 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC001592496818 1173906238 /nfs/dbraw/zinc/90/62/38/1173906238.db2.gz LRCFDNRSFDENIG-OCAPTIKFSA-N -1 1 295.249 1.105 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC1CC(C)(C)C1 ZINC001592502641 1173908603 /nfs/dbraw/zinc/90/86/03/1173908603.db2.gz OYNXSKDVBGXHDC-UHFFFAOYSA-N -1 1 289.339 1.934 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC1CC(C)(C)C1 ZINC001592502641 1173908618 /nfs/dbraw/zinc/90/86/18/1173908618.db2.gz OYNXSKDVBGXHDC-UHFFFAOYSA-N -1 1 289.339 1.934 20 0 CDADMM Cc1occc1CNc1cccnc1-c1nnn[n-]1 ZINC001592512332 1173909935 /nfs/dbraw/zinc/90/99/35/1173909935.db2.gz MLVFQSNGTWBBIA-UHFFFAOYSA-N -1 1 256.269 1.775 20 0 CDADMM Cc1occc1CNc1cccnc1-c1nn[n-]n1 ZINC001592512332 1173909944 /nfs/dbraw/zinc/90/99/44/1173909944.db2.gz MLVFQSNGTWBBIA-UHFFFAOYSA-N -1 1 256.269 1.775 20 0 CDADMM ClC1=CCCN(Cc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001592523633 1173910429 /nfs/dbraw/zinc/91/04/29/1173910429.db2.gz GMAJYLOTAIQCBY-UHFFFAOYSA-N -1 1 276.731 1.590 20 0 CDADMM Clc1nc(NC[C@H]2CCOC2)sc1-c1nnn[n-]1 ZINC001592540206 1173915823 /nfs/dbraw/zinc/91/58/23/1173915823.db2.gz HZSOBUMBLHVIFB-RXMQYKEDSA-N -1 1 286.748 1.425 20 0 CDADMM Clc1nc(NC[C@H]2CCOC2)sc1-c1nn[n-]n1 ZINC001592540206 1173915833 /nfs/dbraw/zinc/91/58/33/1173915833.db2.gz HZSOBUMBLHVIFB-RXMQYKEDSA-N -1 1 286.748 1.425 20 0 CDADMM Clc1sc(NC2CSC2)nc1-c1nn[n-]n1 ZINC001592543436 1173920426 /nfs/dbraw/zinc/92/04/26/1173920426.db2.gz ODBXOCUWIXXCSF-UHFFFAOYSA-N -1 1 274.762 1.504 20 0 CDADMM FC[C@H]1CCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001592632008 1173941339 /nfs/dbraw/zinc/94/13/39/1173941339.db2.gz MYWJIOAYDAUJKE-SECBINFHSA-N -1 1 262.292 1.448 20 0 CDADMM FC[C@H]1CCCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001592632008 1173941344 /nfs/dbraw/zinc/94/13/44/1173941344.db2.gz MYWJIOAYDAUJKE-SECBINFHSA-N -1 1 262.292 1.448 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC[C@]12C[C@H]1CCC2 ZINC001592914025 1174002196 /nfs/dbraw/zinc/00/21/96/1174002196.db2.gz OGBIBEYYXCARGE-ABAIWWIYSA-N -1 1 298.350 1.111 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC[C@]12C[C@H]1CCC2 ZINC001592914025 1174002202 /nfs/dbraw/zinc/00/22/02/1174002202.db2.gz OGBIBEYYXCARGE-ABAIWWIYSA-N -1 1 298.350 1.111 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001592914711 1174004373 /nfs/dbraw/zinc/00/43/73/1174004373.db2.gz GBDQLQMAVZHLCG-SDDRHHMPSA-N -1 1 298.350 1.109 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001592914711 1174004378 /nfs/dbraw/zinc/00/43/78/1174004378.db2.gz GBDQLQMAVZHLCG-SDDRHHMPSA-N -1 1 298.350 1.109 20 0 CDADMM O=C(N[C@@H]1CC12CCCC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001592966720 1174007616 /nfs/dbraw/zinc/00/76/16/1174007616.db2.gz FPWJBLFKXIAHRM-LLVKDONJSA-N -1 1 284.323 1.324 20 0 CDADMM O=C(N[C@@H]1CC12CCCC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001592966720 1174007623 /nfs/dbraw/zinc/00/76/23/1174007623.db2.gz FPWJBLFKXIAHRM-LLVKDONJSA-N -1 1 284.323 1.324 20 0 CDADMM O=C(NC1CC2(CCC2)C1)c1csc(-c2nn[n-]n2)c1 ZINC001592970621 1174009130 /nfs/dbraw/zinc/00/91/30/1174009130.db2.gz ZRCJBJMZRWYNMV-UHFFFAOYSA-N -1 1 289.364 1.991 20 0 CDADMM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccsc1-c1nnn[n-]1 ZINC001592973931 1174011441 /nfs/dbraw/zinc/01/14/41/1174011441.db2.gz LOKVFVKLLMSOMI-IWSPIJDZSA-N -1 1 289.364 1.847 20 0 CDADMM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccsc1-c1nn[n-]n1 ZINC001592973931 1174011443 /nfs/dbraw/zinc/01/14/43/1174011443.db2.gz LOKVFVKLLMSOMI-IWSPIJDZSA-N -1 1 289.364 1.847 20 0 CDADMM O=C(NCC[C@@H]1C[C@H]1C1CC1)c1coc(-c2nnn[n-]2)c1 ZINC001593100560 1174022056 /nfs/dbraw/zinc/02/20/56/1174022056.db2.gz OWCLXMQIBJDGIG-KOLCDFICSA-N -1 1 287.323 1.626 20 0 CDADMM O=C(NCC[C@@H]1C[C@H]1C1CC1)c1coc(-c2nn[n-]n2)c1 ZINC001593100560 1174022062 /nfs/dbraw/zinc/02/20/62/1174022062.db2.gz OWCLXMQIBJDGIG-KOLCDFICSA-N -1 1 287.323 1.626 20 0 CDADMM O=C(Nc1cc(F)cc(F)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001593209104 1174033688 /nfs/dbraw/zinc/03/36/88/1174033688.db2.gz AWGAGWYAJOSHOU-UHFFFAOYSA-N -1 1 291.217 1.990 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCC2(CCC2)C1 ZINC001593255030 1174039804 /nfs/dbraw/zinc/03/98/04/1174039804.db2.gz BQSAZDSKHAZFBT-UHFFFAOYSA-N -1 1 299.338 1.670 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCC2(CCC2)C1 ZINC001593255030 1174039811 /nfs/dbraw/zinc/03/98/11/1174039811.db2.gz BQSAZDSKHAZFBT-UHFFFAOYSA-N -1 1 299.338 1.670 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CCCSC1 ZINC001593268262 1174046939 /nfs/dbraw/zinc/04/69/39/1174046939.db2.gz RSIUJUGWTFEKTB-ZCFIWIBFSA-N -1 1 296.381 1.405 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CCCSC1 ZINC001593268262 1174046941 /nfs/dbraw/zinc/04/69/41/1174046941.db2.gz RSIUJUGWTFEKTB-ZCFIWIBFSA-N -1 1 296.381 1.405 20 0 CDADMM O=C(OC[C@@H]1CC1(F)F)c1cccc(F)c1-c1nnn[n-]1 ZINC001593285501 1174050877 /nfs/dbraw/zinc/05/08/77/1174050877.db2.gz VBCXUSMKILUDGL-LURJTMIESA-N -1 1 298.224 1.818 20 0 CDADMM O=C(OC[C@@H]1CC1(F)F)c1cccc(F)c1-c1nn[n-]n1 ZINC001593285501 1174050885 /nfs/dbraw/zinc/05/08/85/1174050885.db2.gz VBCXUSMKILUDGL-LURJTMIESA-N -1 1 298.224 1.818 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@@H]1C[C@@H]1C1CC1 ZINC001593301115 1174060155 /nfs/dbraw/zinc/06/01/55/1174060155.db2.gz BTWQDXVECRDJOO-GHMZBOCLSA-N -1 1 285.307 1.351 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@@H]1C[C@@H]1C1CC1 ZINC001593301115 1174060161 /nfs/dbraw/zinc/06/01/61/1174060161.db2.gz BTWQDXVECRDJOO-GHMZBOCLSA-N -1 1 285.307 1.351 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001593493445 1174086648 /nfs/dbraw/zinc/08/66/48/1174086648.db2.gz HYQIVZPPHGWXAM-FOGDFJRCSA-N -1 1 271.324 1.465 20 0 CDADMM c1cc(N[C@H]2CCCC23CC3)cc(-c2nnn[n-]2)n1 ZINC001593558396 1174134329 /nfs/dbraw/zinc/13/43/29/1174134329.db2.gz LRBAPMULKITQCK-NSHDSACASA-N -1 1 256.313 1.428 20 0 CDADMM c1cc(N[C@H]2CCCC23CC3)cc(-c2nn[n-]n2)n1 ZINC001593558396 1174134332 /nfs/dbraw/zinc/13/43/32/1174134332.db2.gz LRBAPMULKITQCK-NSHDSACASA-N -1 1 256.313 1.428 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC001593582849 1174146880 /nfs/dbraw/zinc/14/68/80/1174146880.db2.gz BHKDRYJMWKHXAN-JQWIXIFHSA-N -1 1 286.339 1.267 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC001593582849 1174146888 /nfs/dbraw/zinc/14/68/88/1174146888.db2.gz BHKDRYJMWKHXAN-JQWIXIFHSA-N -1 1 286.339 1.267 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1N[C@@H]1CCCC12CC2 ZINC001593590485 1174157328 /nfs/dbraw/zinc/15/73/28/1174157328.db2.gz VGGINRYCAUFKNF-SECBINFHSA-N -1 1 257.301 1.401 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1N[C@@H]1CCCC12CC2 ZINC001593590485 1174157331 /nfs/dbraw/zinc/15/73/31/1174157331.db2.gz VGGINRYCAUFKNF-SECBINFHSA-N -1 1 257.301 1.401 20 0 CDADMM c1nn(Cc2nc(-c3nnn[n-]3)cs2)cc1C1CC1 ZINC001593593624 1174163151 /nfs/dbraw/zinc/16/31/51/1174163151.db2.gz RFFOEPAFOOARPZ-UHFFFAOYSA-N -1 1 273.325 1.445 20 0 CDADMM c1nn(Cc2nc(-c3nn[n-]n3)cs2)cc1C1CC1 ZINC001593593624 1174163156 /nfs/dbraw/zinc/16/31/56/1174163156.db2.gz RFFOEPAFOOARPZ-UHFFFAOYSA-N -1 1 273.325 1.445 20 0 CDADMM Cc1cc2[nH]ncc2cc1NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001600307155 1174441641 /nfs/dbraw/zinc/44/16/41/1174441641.db2.gz MHXWFSOTOZTKQF-UHFFFAOYSA-N -1 1 299.290 1.405 20 0 CDADMM Cc1ccc(N2CC[C@H](N[C@@H](C(=O)[O-])C3CC3)C2=O)cc1 ZINC001600434603 1174475839 /nfs/dbraw/zinc/47/58/39/1174475839.db2.gz JFVMJDFGZGOATK-UONOGXRCSA-N -1 1 288.347 1.553 20 0 CDADMM Cn1cc(C2=CCCN(Cc3cncc(C(=O)[O-])c3)C2)cn1 ZINC001600947337 1174672977 /nfs/dbraw/zinc/67/29/77/1174672977.db2.gz WOXQQKLSPPNMOQ-UHFFFAOYSA-N -1 1 298.346 1.803 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)CCn3ccnc3)[nH]c21 ZINC001601299202 1174830042 /nfs/dbraw/zinc/83/00/42/1174830042.db2.gz BETMGKLOSLQFNG-UHFFFAOYSA-N -1 1 299.290 1.486 20 0 CDADMM O=C([O-])c1cc(NC(=O)Cc2nc[nH]n2)cc(F)c1Cl ZINC001601376148 1174850875 /nfs/dbraw/zinc/85/08/75/1174850875.db2.gz LCCADHGLRFRTLF-UHFFFAOYSA-N -1 1 298.661 1.477 20 0 CDADMM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCc2n[nH]nc2C1 ZINC001601694452 1174948146 /nfs/dbraw/zinc/94/81/46/1174948146.db2.gz YNROBVLECXLNHP-GFCCVEGCSA-N -1 1 292.726 1.642 20 0 CDADMM O=C([O-])[C@H]1CN(CC2OCCO2)Cc2ccccc21 ZINC001601851159 1175036543 /nfs/dbraw/zinc/03/65/43/1175036543.db2.gz OPGDNQIBGHWBOQ-LBPRGKRZSA-N -1 1 263.293 1.043 20 0 CDADMM O=C([O-])Cc1c[nH]n(Cc2ccc(F)c(F)c2)c1=O ZINC001601941492 1175076304 /nfs/dbraw/zinc/07/63/04/1175076304.db2.gz TYDWHTUIYPZRKQ-MRVPVSSYSA-N -1 1 268.219 1.384 20 0 CDADMM O=C([O-])CCN(Cc1cncc(F)c1)C[C@H]1CCCO1 ZINC001602007883 1175109063 /nfs/dbraw/zinc/10/90/63/1175109063.db2.gz CEZXTJPWAPVRDZ-CYBMUJFWSA-N -1 1 282.315 1.676 20 0 CDADMM O=C([O-])[C@H]1CCCN1C(=O)c1cc(F)cc(F)c1O ZINC001602212184 1175168144 /nfs/dbraw/zinc/16/81/44/1175168144.db2.gz ZYWXIEIXKDITAA-SECBINFHSA-N -1 1 271.219 1.360 20 0 CDADMM O=C([O-])c1ccc(Cl)c(CNCCN2CCCC2=O)c1 ZINC001602361842 1175224051 /nfs/dbraw/zinc/22/40/51/1175224051.db2.gz YFQRWDWDAXIIAC-UHFFFAOYSA-N -1 1 296.754 1.750 20 0 CDADMM O=C([O-])c1ccc(NC(=O)[C@H]2CCc3[nH]cnc3C2)cn1 ZINC001602373114 1175226513 /nfs/dbraw/zinc/22/65/13/1175226513.db2.gz BZPQNULOGHMBSY-QMMMGPOBSA-N -1 1 286.291 1.247 20 0 CDADMM O=C([O-])c1cnc(CN2CCSC[C@H]2C2CC2)cn1 ZINC001602520591 1175267909 /nfs/dbraw/zinc/26/79/09/1175267909.db2.gz QXWQOBQRYIHJOQ-LBPRGKRZSA-N -1 1 279.365 1.502 20 0 CDADMM O=C([O-])c1cncc(C(=O)OCc2cc(C3CC3)[nH]n2)c1 ZINC001602538981 1175280164 /nfs/dbraw/zinc/28/01/64/1175280164.db2.gz OBZLPFWICHVWJE-UHFFFAOYSA-N -1 1 287.275 1.737 20 0 CDADMM O=C([O-])c1csc(CN(C[C@H]2CCOC2)C2CC2)n1 ZINC001602558460 1175295326 /nfs/dbraw/zinc/29/53/26/1175295326.db2.gz QXVJTCKDESPSQZ-SECBINFHSA-N -1 1 282.365 1.842 20 0 CDADMM CC(C)(C)CC(=O)COc1cnc(-c2nn[n-]n2)nc1 ZINC001603069106 1175484916 /nfs/dbraw/zinc/48/49/16/1175484916.db2.gz LLNLZNSJYHDAFD-UHFFFAOYSA-N -1 1 276.300 1.041 20 0 CDADMM C[C@H](C(=O)[O-])c1ccc(NC(=O)CCc2nc[nH]n2)cc1 ZINC001603204547 1175516228 /nfs/dbraw/zinc/51/62/28/1175516228.db2.gz AAXAWUYDGOOFMD-VIFPVBQESA-N -1 1 288.307 1.564 20 0 CDADMM CC(C)[C@@H]1C[C@@H]1C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001603245444 1175526876 /nfs/dbraw/zinc/52/68/76/1175526876.db2.gz ZWGSEWBJUOPQAM-UWVGGRQHSA-N -1 1 276.296 1.795 20 0 CDADMM CC(C)[C@@H]1C[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001603245444 1175526885 /nfs/dbraw/zinc/52/68/85/1175526885.db2.gz ZWGSEWBJUOPQAM-UWVGGRQHSA-N -1 1 276.296 1.795 20 0 CDADMM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC001603541783 1175562409 /nfs/dbraw/zinc/56/24/09/1175562409.db2.gz XFFXTAQRLRORQD-VIFPVBQESA-N -1 1 288.355 1.674 20 0 CDADMM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001603541783 1175562414 /nfs/dbraw/zinc/56/24/14/1175562414.db2.gz XFFXTAQRLRORQD-VIFPVBQESA-N -1 1 288.355 1.674 20 0 CDADMM CC(C)(NC[C@@H](O)c1ccccc1)c1nocc1C(=O)[O-] ZINC001603681550 1175596262 /nfs/dbraw/zinc/59/62/62/1175596262.db2.gz GUJDBKCSYRUZKK-GFCCVEGCSA-N -1 1 290.319 1.931 20 0 CDADMM C[C@H](O)c1ccc(CNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001603697925 1175602839 /nfs/dbraw/zinc/60/28/39/1175602839.db2.gz RRGSRJNLZFZVJD-VIFPVBQESA-N -1 1 297.322 1.322 20 0 CDADMM C[C@H](O)c1ccc(CNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001603697925 1175602844 /nfs/dbraw/zinc/60/28/44/1175602844.db2.gz RRGSRJNLZFZVJD-VIFPVBQESA-N -1 1 297.322 1.322 20 0 CDADMM C[C@H](c1ccccc1F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001603734365 1175611721 /nfs/dbraw/zinc/61/17/21/1175611721.db2.gz HOJSOPBMGZPOOW-SECBINFHSA-N -1 1 299.313 1.993 20 0 CDADMM C[C@H](c1ccccc1F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001603734365 1175611723 /nfs/dbraw/zinc/61/17/23/1175611723.db2.gz HOJSOPBMGZPOOW-SECBINFHSA-N -1 1 299.313 1.993 20 0 CDADMM C[C@@]1(CCNc2ncncc2-c2nn[n-]n2)C[C@@]1(F)Cl ZINC001603800328 1175636772 /nfs/dbraw/zinc/63/67/72/1175636772.db2.gz KQJABJMMRKGYDH-MNOVXSKESA-N -1 1 297.725 1.773 20 0 CDADMM C[C@@H]1CC(C)(C)CN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603847145 1175652622 /nfs/dbraw/zinc/65/26/22/1175652622.db2.gz XNNQOADNDLCWSC-SECBINFHSA-N -1 1 286.339 1.522 20 0 CDADMM C[C@@H]1CC(C)(C)CN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603847145 1175652625 /nfs/dbraw/zinc/65/26/25/1175652625.db2.gz XNNQOADNDLCWSC-SECBINFHSA-N -1 1 286.339 1.522 20 0 CDADMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)ncn2)c2ccccc21 ZINC001603938115 1175691040 /nfs/dbraw/zinc/69/10/40/1175691040.db2.gz DGYAMBOEFXZYRO-SECBINFHSA-N -1 1 279.307 1.912 20 0 CDADMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)ncn2)c2ccccc21 ZINC001603938115 1175691043 /nfs/dbraw/zinc/69/10/43/1175691043.db2.gz DGYAMBOEFXZYRO-SECBINFHSA-N -1 1 279.307 1.912 20 0 CDADMM C[C@@H]1[C@H](C)CN(c2ccc(-c3nnn[n-]3)nn2)[C@H]1C ZINC001603939318 1175692303 /nfs/dbraw/zinc/69/23/03/1175692303.db2.gz LLRBFRPCRFXNDB-HLTSFMKQSA-N -1 1 259.317 1.137 20 0 CDADMM C[C@@H]1[C@H](C)CN(c2ccc(-c3nn[n-]n3)nn2)[C@H]1C ZINC001603939318 1175692308 /nfs/dbraw/zinc/69/23/08/1175692308.db2.gz LLRBFRPCRFXNDB-HLTSFMKQSA-N -1 1 259.317 1.137 20 0 CDADMM CC(C)c1nnc(CNC2CC(C(=O)[O-])C2)s1 ZINC001604021303 1175723667 /nfs/dbraw/zinc/72/36/67/1175723667.db2.gz WXOLDCVTXKZHNB-UHFFFAOYSA-N -1 1 255.343 1.614 20 0 CDADMM CC[C@]1(C)CN(c2cc(C)nc(-c3nnn[n-]3)c2)CCO1 ZINC001604084626 1175751869 /nfs/dbraw/zinc/75/18/69/1175751869.db2.gz SCFKAVLRMSNTNR-CQSZACIVSA-N -1 1 288.355 1.575 20 0 CDADMM CC[C@]1(C)CN(c2cc(C)nc(-c3nn[n-]n3)c2)CCO1 ZINC001604084626 1175751874 /nfs/dbraw/zinc/75/18/74/1175751874.db2.gz SCFKAVLRMSNTNR-CQSZACIVSA-N -1 1 288.355 1.575 20 0 CDADMM CC[C@@H]1C[C@H](CNc2n[nH]cc2-c2nnn[n-]2)CCO1 ZINC001604098847 1175759621 /nfs/dbraw/zinc/75/96/21/1175759621.db2.gz HJKZAUBSMCFLGA-RKDXNWHRSA-N -1 1 277.332 1.207 20 0 CDADMM CC[C@@H]1C[C@H](CNc2n[nH]cc2-c2nn[n-]n2)CCO1 ZINC001604098847 1175759626 /nfs/dbraw/zinc/75/96/26/1175759626.db2.gz HJKZAUBSMCFLGA-RKDXNWHRSA-N -1 1 277.332 1.207 20 0 CDADMM CC(C)CO[N-]C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000135339685 1175823897 /nfs/dbraw/zinc/82/38/97/1175823897.db2.gz IBHVNGWYCPHRDA-LLVKDONJSA-N -1 1 268.357 1.481 20 0 CDADMM CCOC(=O)C1(NC(=O)c2ncccc2[O-])CCCCC1 ZINC000153602675 1178131102 /nfs/dbraw/zinc/13/11/02/1178131102.db2.gz FMYBAMGZLCFCRM-UHFFFAOYSA-N -1 1 292.335 1.783 20 0 CDADMM O=C(c1ccc([O-])cc1F)N1CCC(C2OCCO2)CC1 ZINC000162973709 1180314886 /nfs/dbraw/zinc/31/48/86/1180314886.db2.gz JCFOZGWBQFFXER-UHFFFAOYSA-N 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289.339 1.222 20 0 CDADMM C[C@H](CCCCO)NC(=O)c1ccc([O-])c(F)c1 ZINC000650710823 398154864 /nfs/dbraw/zinc/15/48/64/398154864.db2.gz RRVITJJTVHGTOG-SECBINFHSA-N -1 1 255.289 1.812 20 0 CDADMM C[C@H]1CCN(c2cc[nH+]c(C(=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000650772615 398195490 /nfs/dbraw/zinc/19/54/90/398195490.db2.gz BDRNPPCKNFIKDL-WPRPVWTQSA-N -1 1 264.281 1.327 20 0 CDADMM CC(C)(C)N1C[C@@H](NC(=O)c2c([O-])cccc2F)CC1=O ZINC000127752654 187330821 /nfs/dbraw/zinc/33/08/21/187330821.db2.gz FFBQQLWONIHVQC-VIFPVBQESA-N -1 1 294.326 1.661 20 0 CDADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccoc2C)o1 ZINC000618833521 349537964 /nfs/dbraw/zinc/53/79/64/349537964.db2.gz SZZXIJLLINVUEN-UHFFFAOYSA-N -1 1 298.320 1.019 20 0 CDADMM CCOC(=O)c1cnc(NC(=O)CCn2cccc2)[n-]1 ZINC000591302559 342624775 /nfs/dbraw/zinc/62/47/75/342624775.db2.gz BCKRHNFNGVKRAZ-UHFFFAOYSA-N -1 1 276.296 1.417 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)CCn2cccc2)n1 ZINC000591302559 342624776 /nfs/dbraw/zinc/62/47/76/342624776.db2.gz 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/nfs/dbraw/zinc/78/20/57/365782057.db2.gz BABHMOBTYVKEHO-JTQLQIEISA-N -1 1 296.334 1.624 20 0 CDADMM CCC[C@H](NC(=O)[C@@H]1CCc2cccnc21)c1nn[n-]n1 ZINC000612060464 346997822 /nfs/dbraw/zinc/99/78/22/346997822.db2.gz KEFSSJOUVXBDAE-MNOVXSKESA-N -1 1 286.339 1.282 20 0 CDADMM O=C(N[C@@H]1CCCC[C@H]1O)c1ccc([O-])c(F)c1 ZINC000617123954 343965194 /nfs/dbraw/zinc/96/51/94/343965194.db2.gz FVOKKNOUBBIYIS-ZYHUDNBSSA-N -1 1 253.273 1.565 20 0 CDADMM C[C@H](N(C)C(=O)CCCc1nn[n-]n1)C1(C)CC1 ZINC000635662319 362306815 /nfs/dbraw/zinc/30/68/15/362306815.db2.gz VTGUJLUNOYNBNE-VIFPVBQESA-N -1 1 251.334 1.169 20 0 CDADMM CC[C@@H]1CCCN(S(=O)(=O)c2c(C)o[n-]c2=N)CC1 ZINC000331582968 362320557 /nfs/dbraw/zinc/32/05/57/362320557.db2.gz FUXJTTKNRSWMEV-SNVBAGLBSA-N -1 1 287.385 1.596 20 0 CDADMM O=C(CN1CCC[C@@H](C(=O)[O-])C1)NCC1CCCCC1 ZINC000164515164 362302557 /nfs/dbraw/zinc/30/25/57/362302557.db2.gz ZJSLNYRFKACPOP-CYBMUJFWSA-N -1 1 282.384 1.480 20 0 CDADMM CCOC(=O)Cn1[n-]c2c(c1=O)CCCCCC2 ZINC000601952057 344293028 /nfs/dbraw/zinc/29/30/28/344293028.db2.gz FPLMUXGYJGVSQN-SNVBAGLBSA-N -1 1 252.314 1.718 20 0 CDADMM CCCc1nnc(Sc2nc3c(cnn3C)c(=O)[n-]2)o1 ZINC000536649300 282336759 /nfs/dbraw/zinc/33/67/59/282336759.db2.gz OYGAMCSTDGGPQB-UHFFFAOYSA-N -1 1 292.324 1.556 20 0 CDADMM O=C(CCCc1nn[n-]n1)N[C@H]1CCOC2(CCCC2)C1 ZINC000635707935 362406193 /nfs/dbraw/zinc/40/61/93/362406193.db2.gz YFWXVCGYJCYEOS-NSHDSACASA-N -1 1 293.371 1.130 20 0 CDADMM CC[C@@H](SC)C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000332366220 362489034 /nfs/dbraw/zinc/48/90/34/362489034.db2.gz CCKPFHBMEDNQKH-MRVPVSSYSA-N -1 1 269.374 1.227 20 0 CDADMM O=C(c1cc(F)ccc1O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000537122789 282351251 /nfs/dbraw/zinc/35/12/51/282351251.db2.gz OQWFYQJVSLHSLG-MRVPVSSYSA-N -1 1 291.286 1.064 20 0 CDADMM O=C(CSCCc1nn[nH]n1)c1ccc([O-])cc1 ZINC000603340668 344772768 /nfs/dbraw/zinc/77/27/68/344772768.db2.gz XOWSATMLDOAMMX-UHFFFAOYSA-N -1 1 264.310 1.064 20 0 CDADMM CN(Cc1nnc[nH]1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000178411211 530030628 /nfs/dbraw/zinc/03/06/28/530030628.db2.gz QFJGZXOKSCGHII-UHFFFAOYSA-N -1 1 284.678 1.575 20 0 CDADMM O=C(NCc1cc2c([nH]c1=O)CCC2)c1cncc([O-])c1 ZINC000603550401 344819232 /nfs/dbraw/zinc/81/92/32/344819232.db2.gz WAYSHHRQRVDMSS-UHFFFAOYSA-N -1 1 285.303 1.307 20 0 CDADMM C[C@H](CC(=O)NCc1nn[n-]n1)c1cccc(F)c1 ZINC000604745877 344924701 /nfs/dbraw/zinc/92/47/01/344924701.db2.gz TVQFZDOVZKUNAS-MRVPVSSYSA-N -1 1 263.276 1.149 20 0 CDADMM COCCOCCN(C)C(=O)c1ccc([O-])cc1F ZINC000290680523 197785543 /nfs/dbraw/zinc/78/55/43/197785543.db2.gz QHYTUDOUAJIQGG-UHFFFAOYSA-N -1 1 271.288 1.266 20 0 CDADMM CCO[C@@H]1CCCN(C(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000607055718 345185765 /nfs/dbraw/zinc/18/57/65/345185765.db2.gz OFAGBLVQYNXMRF-LLVKDONJSA-N -1 1 295.408 1.780 20 0 CDADMM CSCC[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000105616085 345385423 /nfs/dbraw/zinc/38/54/23/345385423.db2.gz MZSZUMCHHBALEF-UHFFFAOYSA-N -1 1 285.312 1.745 20 0 CDADMM NC(=O)[C@@H]1CC[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000584730505 346422132 /nfs/dbraw/zinc/42/21/32/346422132.db2.gz RFVOZPYZSSXPNQ-PHDIDXHHSA-N -1 1 270.235 1.120 20 0 CDADMM C[C@@H](CN(C)Cc1nc(-c2cccs2)no1)C(=O)[O-] ZINC000042705723 346528421 /nfs/dbraw/zinc/52/84/21/346528421.db2.gz ZJRFOBQFMIIZLN-QMMMGPOBSA-N -1 1 281.337 1.951 20 0 CDADMM CCC[C@H](CCO)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000632620478 362808547 /nfs/dbraw/zinc/80/85/47/362808547.db2.gz NHSCBIBEODBWFT-SNVBAGLBSA-N -1 1 293.335 1.794 20 0 CDADMM O=C(CCCc1nn[n-]n1)NC[C@H](c1ccccc1)C1CC1 ZINC000635957046 362816327 /nfs/dbraw/zinc/81/63/27/362816327.db2.gz DIWSTVLTIFFLEO-CQSZACIVSA-N -1 1 299.378 1.832 20 0 CDADMM CCc1nc(S(=O)(=O)Cc2cccc(Cl)c2)n[n-]1 ZINC000086170541 179243340 /nfs/dbraw/zinc/24/33/40/179243340.db2.gz CGBTXDOCJLASBD-UHFFFAOYSA-N -1 1 285.756 1.994 20 0 CDADMM CN(CCCC(=O)OC(C)(C)C)C(=O)c1ncccc1[O-] ZINC000067180640 347551024 /nfs/dbraw/zinc/55/10/24/347551024.db2.gz UAHCIIDESRPYDN-UHFFFAOYSA-N -1 1 294.351 1.981 20 0 CDADMM C[C@]12CN(C(=O)CCCc3nn[n-]n3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000636010766 362881992 /nfs/dbraw/zinc/88/19/92/362881992.db2.gz WWILMKBLXJPLDW-OXJKWZBOSA-N -1 1 289.383 1.417 20 0 CDADMM O=C(NCC1(O)CCCCCC1)c1cncc([O-])c1 ZINC000087089189 179393582 /nfs/dbraw/zinc/39/35/82/179393582.db2.gz WITCDTXJDGVQMA-UHFFFAOYSA-N -1 1 264.325 1.602 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)Cc1ccsc1C ZINC000615223036 348397013 /nfs/dbraw/zinc/39/70/13/348397013.db2.gz WRKNMMXZBHLHOT-UHFFFAOYSA-N -1 1 251.311 1.975 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](C)NC(=O)C1CCCC1 ZINC000615225849 348398453 /nfs/dbraw/zinc/39/84/53/348398453.db2.gz HHKNIDIKMNWDEP-MRVPVSSYSA-N -1 1 280.328 1.057 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC000615228499 348399158 /nfs/dbraw/zinc/39/91/58/348399158.db2.gz XUJVDHRWVOGCOR-JTQLQIEISA-N -1 1 273.292 1.674 20 0 CDADMM O=C(c1ncc2ccccc2c1[O-])N1CCC[C@H](O)CC1 ZINC000615409510 348493564 /nfs/dbraw/zinc/49/35/64/348493564.db2.gz HMOBMLKFSXJTLC-LBPRGKRZSA-N -1 1 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XWSDZVKUELKRBP-NSHDSACASA-N -1 1 295.387 1.577 20 0 CDADMM CO[C@@H]1COC[C@@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000655491189 424512479 /nfs/dbraw/zinc/51/24/79/424512479.db2.gz FTOSRAMGKLNCSV-UONOGXRCSA-N -1 1 287.315 1.689 20 0 CDADMM CC1(C)CC[C@H](CNc2cc(-c3nnn[n-]3)ncn2)O1 ZINC001590089708 1173250319 /nfs/dbraw/zinc/25/03/19/1173250319.db2.gz CDPZIRVTWIJQPQ-MRVPVSSYSA-N -1 1 275.316 1.026 20 0 CDADMM CC1(C)CC[C@H](CNc2cc(-c3nn[n-]n3)ncn2)O1 ZINC001590089708 1173250325 /nfs/dbraw/zinc/25/03/25/1173250325.db2.gz CDPZIRVTWIJQPQ-MRVPVSSYSA-N -1 1 275.316 1.026 20 0 CDADMM Cc1nncn1CCNC(=O)c1cc2ccccc2cc1[O-] ZINC000156207656 270240869 /nfs/dbraw/zinc/24/08/69/270240869.db2.gz LKXDUJFHJUUHCJ-UHFFFAOYSA-N -1 1 296.330 1.875 20 0 CDADMM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001590187038 1173284083 /nfs/dbraw/zinc/28/40/83/1173284083.db2.gz GGJJFLVQUUSJPV-RKDXNWHRSA-N -1 1 275.312 1.578 20 0 CDADMM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590187038 1173284091 /nfs/dbraw/zinc/28/40/91/1173284091.db2.gz GGJJFLVQUUSJPV-RKDXNWHRSA-N -1 1 275.312 1.578 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])[C@@H](C(N)=O)C1 ZINC000186980446 270267558 /nfs/dbraw/zinc/26/75/58/270267558.db2.gz VOFGQKCCHSRZMJ-GZMMTYOYSA-N -1 1 296.754 1.772 20 0 CDADMM NC(=O)CC1(CN=c2nc(C(F)(F)F)[n-]s2)CC1 ZINC000420611087 270379971 /nfs/dbraw/zinc/37/99/71/270379971.db2.gz PQTLAICPADFABS-UHFFFAOYSA-N -1 1 280.275 1.046 20 0 CDADMM C[C@H]1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CO1 ZINC001590212357 1173294901 /nfs/dbraw/zinc/29/49/01/1173294901.db2.gz RKYGQVDHVFHCQX-WHFBIAKZSA-N -1 1 286.748 1.566 20 0 CDADMM C[C@H]1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CO1 ZINC001590212357 1173294909 /nfs/dbraw/zinc/29/49/09/1173294909.db2.gz RKYGQVDHVFHCQX-WHFBIAKZSA-N -1 1 286.748 1.566 20 0 CDADMM CO[C@@H](CN1C[C@@H](C)O[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000530169306 271127525 /nfs/dbraw/zinc/12/75/25/271127525.db2.gz JSONXQMCGYKSBM-XBFCOCLRSA-N -1 1 279.336 1.548 20 0 CDADMM CCC(C)(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001590375271 1173379037 /nfs/dbraw/zinc/37/90/37/1173379037.db2.gz DXUPAPINPRNWMM-UHFFFAOYSA-N -1 1 261.333 1.895 20 0 CDADMM CCC(C)(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001590375271 1173379043 /nfs/dbraw/zinc/37/90/43/1173379043.db2.gz DXUPAPINPRNWMM-UHFFFAOYSA-N -1 1 261.333 1.895 20 0 CDADMM CC(C)(C)/C=C\C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000491846348 278282414 /nfs/dbraw/zinc/28/24/14/278282414.db2.gz PORZGMDGKNHBML-TWGQIWQCSA-N -1 1 263.345 1.688 20 0 CDADMM CCC(CC)C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001590427861 1173405207 /nfs/dbraw/zinc/40/52/07/1173405207.db2.gz PBANMHILZNKUCU-UHFFFAOYSA-N -1 1 274.328 1.661 20 0 CDADMM CCC(CC)C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001590427861 1173405211 /nfs/dbraw/zinc/40/52/11/1173405211.db2.gz PBANMHILZNKUCU-UHFFFAOYSA-N -1 1 274.328 1.661 20 0 CDADMM COC[C@@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084935817 279249147 /nfs/dbraw/zinc/24/91/47/279249147.db2.gz CVGRZLNBRLPPME-SECBINFHSA-N -1 1 269.322 1.746 20 0 CDADMM CCC(CC)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590435953 1173408332 /nfs/dbraw/zinc/40/83/32/1173408332.db2.gz VBHYAEYKPRRPHO-UHFFFAOYSA-N -1 1 275.316 1.572 20 0 CDADMM CCC(CC)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590435953 1173408336 /nfs/dbraw/zinc/40/83/36/1173408336.db2.gz VBHYAEYKPRRPHO-UHFFFAOYSA-N -1 1 275.316 1.572 20 0 CDADMM CCC(CC)OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590435728 1173408199 /nfs/dbraw/zinc/40/81/99/1173408199.db2.gz DVKQURIBLQNJMO-UHFFFAOYSA-N -1 1 250.258 1.805 20 0 CDADMM CC[C@H](COCC1CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001590446435 1173410580 /nfs/dbraw/zinc/41/05/80/1173410580.db2.gz CWVPDUDVXMIKQA-SNVBAGLBSA-N -1 1 289.343 1.274 20 0 CDADMM CC[C@H](COCC1CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001590446435 1173410583 /nfs/dbraw/zinc/41/05/83/1173410583.db2.gz CWVPDUDVXMIKQA-SNVBAGLBSA-N -1 1 289.343 1.274 20 0 CDADMM O=C(NCc1ccncn1)c1cc(Cl)ccc1[O-] ZINC000236634358 280131963 /nfs/dbraw/zinc/13/19/63/280131963.db2.gz OFUFCECHBNUGMZ-UHFFFAOYSA-N -1 1 263.684 1.766 20 0 CDADMM CC(C)[C@H]1CCCN1C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287643746 280376725 /nfs/dbraw/zinc/37/67/25/280376725.db2.gz OSOFHFWOQRYBPJ-FDIDITGRSA-N -1 1 287.367 1.994 20 0 CDADMM Cc1cc(=O)[n-]c([C@H](C)[N@H+]2CCC[C@H]2C[C@@H](C)O)n1 ZINC000248733580 280377145 /nfs/dbraw/zinc/37/71/45/280377145.db2.gz KDIJZYMVIAGSDJ-WOPDTQHZSA-N -1 1 265.357 1.787 20 0 CDADMM CC[C@H](CSC)N(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590447908 1173414843 /nfs/dbraw/zinc/41/48/43/1173414843.db2.gz RRIUSWOOOYIHEI-MRVPVSSYSA-N -1 1 295.368 1.673 20 0 CDADMM CC[C@H](CSC)N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590447908 1173414844 /nfs/dbraw/zinc/41/48/44/1173414844.db2.gz RRIUSWOOOYIHEI-MRVPVSSYSA-N -1 1 295.368 1.673 20 0 CDADMM CC[C@H](SC)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590482096 1173431146 /nfs/dbraw/zinc/43/11/46/1173431146.db2.gz SMSRTUDCNFGRJG-QMMMGPOBSA-N -1 1 297.409 1.686 20 0 CDADMM C[C@@H]1c2cccn2CCN1C(=O)c1cncc([O-])c1 ZINC000171762352 289091331 /nfs/dbraw/zinc/09/13/31/289091331.db2.gz AWBGPAFVNYXRCN-SNVBAGLBSA-N -1 1 257.293 1.806 20 0 CDADMM CC(C)n1cnc(S(=O)(=O)[N-]CC(F)F)c1 ZINC000153709572 289178640 /nfs/dbraw/zinc/17/86/40/289178640.db2.gz VOOQNIOGOVDDOV-UHFFFAOYSA-N -1 1 253.274 1.007 20 0 CDADMM C[N@H+](CC(=O)Nc1ccncc1O)[C@H]1CCSC1 ZINC000153838043 289183454 /nfs/dbraw/zinc/18/34/54/289183454.db2.gz IBVYZSGFXFEFSW-VIFPVBQESA-N -1 1 267.354 1.163 20 0 CDADMM Cc1cccc(C)c1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155524691 289241806 /nfs/dbraw/zinc/24/18/06/289241806.db2.gz ASLBNMVMPZOPML-GFCCVEGCSA-N -1 1 285.351 1.836 20 0 CDADMM COc1ccc(C[N@H+]2CCSC[C@@H]2CC(=O)[O-])cn1 ZINC000158640592 289313716 /nfs/dbraw/zinc/31/37/16/289313716.db2.gz QBLWZGCJDLSDKR-NSHDSACASA-N -1 1 282.365 1.482 20 0 CDADMM COc1ccc(CN2CCSC[C@@H]2CC(=O)[O-])cn1 ZINC000158640592 289313717 /nfs/dbraw/zinc/31/37/17/289313717.db2.gz QBLWZGCJDLSDKR-NSHDSACASA-N -1 1 282.365 1.482 20 0 CDADMM O=C(C=Cc1nc2ccccc2s1)Nc1nnn[n-]1 ZINC000255136395 289358393 /nfs/dbraw/zinc/35/83/93/289358393.db2.gz ONJONTNKUSUPAG-WAYWQWQTSA-N -1 1 272.293 1.461 20 0 CDADMM O=C(C=Cc1nc2ccccc2s1)Nc1nn[n-]n1 ZINC000255136395 289358395 /nfs/dbraw/zinc/35/83/95/289358395.db2.gz ONJONTNKUSUPAG-WAYWQWQTSA-N -1 1 272.293 1.461 20 0 CDADMM COC(=O)C1(CN=c2nc(C(C)(C)C)[n-]s2)CC1 ZINC000548617400 289905507 /nfs/dbraw/zinc/90/55/07/289905507.db2.gz VKPFBASLTRBRMN-UHFFFAOYSA-N -1 1 269.370 1.623 20 0 CDADMM Cc1nc([N-]C(=O)c2cnc([C@H]3CCCO3)s2)nn1C ZINC000552595633 290076891 /nfs/dbraw/zinc/07/68/91/290076891.db2.gz GYVMSTARGJCEJF-MRVPVSSYSA-N -1 1 293.352 1.684 20 0 CDADMM CCc1nnc([C@H]2CN(Cc3ncccc3[O-])CCO2)o1 ZINC000554867418 290195196 /nfs/dbraw/zinc/19/51/96/290195196.db2.gz PAKJQQNSQNBLJS-GFCCVEGCSA-N -1 1 290.323 1.306 20 0 CDADMM CN(C[C@H](O)C(F)(F)F)C(=O)c1c(F)ccc([O-])c1F ZINC000554882406 290196449 /nfs/dbraw/zinc/19/64/49/290196449.db2.gz AHXVFKQNMIWMHQ-ZETCQYMHSA-N -1 1 299.195 1.666 20 0 CDADMM C[C@@H]1CC(CCNc2nc3[nH][n-]cc-3c(=O)n2)C[C@@H](C)O1 ZINC000554930741 290198663 /nfs/dbraw/zinc/19/86/63/290198663.db2.gz RUKCQYPJEFBZPG-RKDXNWHRSA-N -1 1 291.355 1.438 20 0 CDADMM O=C(N[C@H]1C[C@@H]2CCCCN2C1=O)c1c([O-])cccc1F ZINC000556696189 290283418 /nfs/dbraw/zinc/28/34/18/290283418.db2.gz XRTQAGXRNGIDEC-ONGXEEELSA-N -1 1 292.310 1.415 20 0 CDADMM Cc1nc(S[C@H]2CCN(C)C2=O)[n-]c(=O)c1C ZINC000408125270 293356771 /nfs/dbraw/zinc/35/67/71/293356771.db2.gz XKEYDWNXWDXGJH-QMMMGPOBSA-N -1 1 253.327 1.122 20 0 CDADMM CCC[C@H](O)CCNc1nc(-c2nn[n-]n2)ccc1C ZINC001590560441 1173463637 /nfs/dbraw/zinc/46/36/37/1173463637.db2.gz NYRXWRPJSQPXOB-JTQLQIEISA-N -1 1 276.344 1.533 20 0 CDADMM CC[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)NC ZINC000567191115 293732546 /nfs/dbraw/zinc/73/25/46/293732546.db2.gz QIZYQBAVRJAPQL-JTQLQIEISA-N -1 1 296.348 1.236 20 0 CDADMM Cc1o[n-]c(=N)c1S(=O)(=O)NC(C)(C)C(C)C ZINC000568567859 294058738 /nfs/dbraw/zinc/05/87/38/294058738.db2.gz XOFTWFKDKUOXIY-UHFFFAOYSA-N -1 1 261.347 1.108 20 0 CDADMM Cc1onc(N)c1S(=O)(=O)[N-]C(C)(C)C(C)C ZINC000568567859 294058741 /nfs/dbraw/zinc/05/87/41/294058741.db2.gz XOFTWFKDKUOXIY-UHFFFAOYSA-N -1 1 261.347 1.108 20 0 CDADMM Cc1cnc(C(=O)N[C@H]2CCO[C@@H]2c2ccncc2)c([O-])c1 ZINC000568585582 294061375 /nfs/dbraw/zinc/06/13/75/294061375.db2.gz PBIPRUAGRACIGT-SWLSCSKDSA-N -1 1 299.330 1.751 20 0 CDADMM CCc1nc(SCC(=O)N2CCOCC2)[n-]c(=O)c1C ZINC000568883515 294119196 /nfs/dbraw/zinc/11/91/96/294119196.db2.gz LLECKMGFOVJNAH-UHFFFAOYSA-N -1 1 297.380 1.004 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc3[nH]nnc3c2)C[C@H]1C(=O)[O-] ZINC000569122449 294162953 /nfs/dbraw/zinc/16/29/53/294162953.db2.gz MSPDLCUTDUUHFA-PSASIEDQSA-N -1 1 288.307 1.141 20 0 CDADMM CN(C)[C@@H](CNc1nc(C(=O)[O-])co1)c1ccsc1 ZINC000570455270 294242723 /nfs/dbraw/zinc/24/27/23/294242723.db2.gz YACWUIFYOHXKKG-JTQLQIEISA-N -1 1 281.337 1.571 20 0 CDADMM CN(C)[C@@H](CN=c1[nH]c(C(=O)[O-])co1)c1ccsc1 ZINC000570455270 294242725 /nfs/dbraw/zinc/24/27/25/294242725.db2.gz YACWUIFYOHXKKG-JTQLQIEISA-N -1 1 281.337 1.571 20 0 CDADMM CCCN(C)C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590618477 1173474553 /nfs/dbraw/zinc/47/45/53/1173474553.db2.gz RVHABOAZOBKOFW-UHFFFAOYSA-N -1 1 281.266 1.627 20 0 CDADMM CCCN(C)C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590618477 1173474556 /nfs/dbraw/zinc/47/45/56/1173474556.db2.gz RVHABOAZOBKOFW-UHFFFAOYSA-N -1 1 281.266 1.627 20 0 CDADMM CCCCNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590604495 1173475751 /nfs/dbraw/zinc/47/57/51/1173475751.db2.gz JGHGDZYKIFZGTR-UHFFFAOYSA-N -1 1 261.289 1.183 20 0 CDADMM CCCCNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590604495 1173475759 /nfs/dbraw/zinc/47/57/59/1173475759.db2.gz JGHGDZYKIFZGTR-UHFFFAOYSA-N -1 1 261.289 1.183 20 0 CDADMM CCOCCCCOC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590809972 1173515270 /nfs/dbraw/zinc/51/52/70/1173515270.db2.gz AZGBBVXHLRHFDN-UHFFFAOYSA-N -1 1 294.311 1.742 20 0 CDADMM CCOCCCCOC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590809972 1173515274 /nfs/dbraw/zinc/51/52/74/1173515274.db2.gz AZGBBVXHLRHFDN-UHFFFAOYSA-N -1 1 294.311 1.742 20 0 CDADMM CCOCCCC(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001590809255 1173517245 /nfs/dbraw/zinc/51/72/45/1173517245.db2.gz TXCGVXWTMQTDLA-UHFFFAOYSA-N -1 1 291.311 1.122 20 0 CDADMM CCOCCCC(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001590809255 1173517251 /nfs/dbraw/zinc/51/72/51/1173517251.db2.gz TXCGVXWTMQTDLA-UHFFFAOYSA-N -1 1 291.311 1.122 20 0 CDADMM CCc1nc(Cn2ccc(-c3nn[n-]n3)cc2=O)cs1 ZINC001590913637 1173540275 /nfs/dbraw/zinc/54/02/75/1173540275.db2.gz CKGAEPSZYFMELV-UHFFFAOYSA-N -1 1 288.336 1.096 20 0 CDADMM Cc1ccnc(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000121575550 302276736 /nfs/dbraw/zinc/27/67/36/302276736.db2.gz UYMZDGXHJYOYEX-LLVKDONJSA-N -1 1 251.286 1.970 20 0 CDADMM Cc1ccnc(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000121575550 302276740 /nfs/dbraw/zinc/27/67/40/302276740.db2.gz UYMZDGXHJYOYEX-LLVKDONJSA-N -1 1 251.286 1.970 20 0 CDADMM Cc1nc([C@H]2CCCCN2C(=O)c2ncccc2[O-])no1 ZINC000372412566 302639447 /nfs/dbraw/zinc/63/94/47/302639447.db2.gz QKGNNFZHQHEWDB-SNVBAGLBSA-N -1 1 288.307 1.846 20 0 CDADMM COCCCCN(C)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001591410221 1173646754 /nfs/dbraw/zinc/64/67/54/1173646754.db2.gz BSSKUBUXCCFMHF-UHFFFAOYSA-N -1 1 295.368 1.427 20 0 CDADMM COCCCCN(C)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001591410221 1173646759 /nfs/dbraw/zinc/64/67/59/1173646759.db2.gz BSSKUBUXCCFMHF-UHFFFAOYSA-N -1 1 295.368 1.427 20 0 CDADMM CON(C(=O)c1csc(-c2nn[n-]n2)c1)C1CCCC1 ZINC001591464522 1173653704 /nfs/dbraw/zinc/65/37/04/1173653704.db2.gz STZARWFAFFUWDD-UHFFFAOYSA-N -1 1 293.352 1.874 20 0 CDADMM COc1cncc(NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001591659084 1173678243 /nfs/dbraw/zinc/67/82/43/1173678243.db2.gz MPXQULYBUZOGBW-UHFFFAOYSA-N -1 1 289.324 1.339 20 0 CDADMM COc1cncc(NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001591659084 1173678247 /nfs/dbraw/zinc/67/82/47/1173678247.db2.gz MPXQULYBUZOGBW-UHFFFAOYSA-N -1 1 289.324 1.339 20 0 CDADMM CSCCCC(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001591699923 1173688984 /nfs/dbraw/zinc/68/89/84/1173688984.db2.gz LXNMTCRSCSRKFG-UHFFFAOYSA-N -1 1 293.352 1.448 20 0 CDADMM CSCCCC(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001591699923 1173688990 /nfs/dbraw/zinc/68/89/90/1173688990.db2.gz LXNMTCRSCSRKFG-UHFFFAOYSA-N -1 1 293.352 1.448 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](C3CC3)C2)c1 ZINC001591885860 1173737572 /nfs/dbraw/zinc/73/75/72/1173737572.db2.gz YZGCRRDTPUXGGX-LLVKDONJSA-N -1 1 270.340 1.806 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](C3CC3)C2)c1 ZINC001591885860 1173737577 /nfs/dbraw/zinc/73/75/77/1173737577.db2.gz YZGCRRDTPUXGGX-LLVKDONJSA-N -1 1 270.340 1.806 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CCC=CCC2)n1 ZINC001591893056 1173741161 /nfs/dbraw/zinc/74/11/61/1173741161.db2.gz YFUHIAFYJFIEHL-UHFFFAOYSA-N -1 1 271.328 1.876 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CCC=CCC2)n1 ZINC001591893056 1173741165 /nfs/dbraw/zinc/74/11/65/1173741165.db2.gz YFUHIAFYJFIEHL-UHFFFAOYSA-N -1 1 271.328 1.876 20 0 CDADMM CS(=O)(=O)C1(c2noc(-c3ccc([O-])cc3F)n2)CC1 ZINC000350575253 316180545 /nfs/dbraw/zinc/18/05/45/316180545.db2.gz FDAWBCJSPPAALM-UHFFFAOYSA-N -1 1 298.295 1.615 20 0 CDADMM COc1ccc(-c2nc(-c3cncnc3N)no2)c([O-])c1 ZINC000350819860 316208296 /nfs/dbraw/zinc/20/82/96/316208296.db2.gz NYVQKGJPHXABCJ-UHFFFAOYSA-N -1 1 285.263 1.320 20 0 CDADMM CCO[C@H](CCN=c1[nH]c(C(=O)[O-])co1)C(C)C ZINC000563623507 316345285 /nfs/dbraw/zinc/34/52/85/316345285.db2.gz HJWBFTZZFMWUHF-SNVBAGLBSA-N -1 1 256.302 1.658 20 0 CDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC(C)(C)CF ZINC000563663670 316352349 /nfs/dbraw/zinc/35/23/49/316352349.db2.gz QNXRXAGOVVQDMD-UHFFFAOYSA-N -1 1 294.330 1.459 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCCc2ccsc2)n1 ZINC001591899314 1173745456 /nfs/dbraw/zinc/74/54/56/1173745456.db2.gz GPALRAFJIMZBFN-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCCc2ccsc2)n1 ZINC001591899314 1173745461 /nfs/dbraw/zinc/74/54/61/1173745461.db2.gz GPALRAFJIMZBFN-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM O=c1nc(NCCOCC2CCCC2)nc2[nH][n-]cc1-2 ZINC000576565176 317161745 /nfs/dbraw/zinc/16/17/45/317161745.db2.gz GVKUGRIOMXSPSV-UHFFFAOYSA-N -1 1 277.328 1.051 20 0 CDADMM CC(F)(F)C[N-]S(=O)(=O)CCCC(F)(F)F ZINC000576720704 317196288 /nfs/dbraw/zinc/19/62/88/317196288.db2.gz DDPJWSMZESGPHB-UHFFFAOYSA-N -1 1 269.235 1.904 20 0 CDADMM CO[C@H]1C[C@@H](C(=O)[O-])N(CCc2c(C)noc2C)C1 ZINC000577618366 317368343 /nfs/dbraw/zinc/36/83/43/317368343.db2.gz AVQZRGMACJZXJR-JQWIXIFHSA-N -1 1 268.313 1.008 20 0 CDADMM Cc1cc(NC[C@H](C)CCCO)cc(-c2nnn[n-]2)n1 ZINC001592038173 1173780417 /nfs/dbraw/zinc/78/04/17/1173780417.db2.gz FSYKGSPONIMPJZ-SECBINFHSA-N -1 1 276.344 1.391 20 0 CDADMM Cc1cc(NC[C@H](C)CCCO)cc(-c2nn[n-]n2)n1 ZINC001592038173 1173780423 /nfs/dbraw/zinc/78/04/23/1173780423.db2.gz FSYKGSPONIMPJZ-SECBINFHSA-N -1 1 276.344 1.391 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCC(C)(C)[C@H](C)O ZINC001592114380 1173805780 /nfs/dbraw/zinc/80/57/80/1173805780.db2.gz QCGDHWAYMURHFN-VIFPVBQESA-N -1 1 276.344 1.389 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(Cc2ccsc2)c1C ZINC001592339474 1173861281 /nfs/dbraw/zinc/86/12/81/1173861281.db2.gz NJXZKJCEINVEBQ-UHFFFAOYSA-N -1 1 260.326 1.790 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2ccsc2)c1C ZINC001592339474 1173861284 /nfs/dbraw/zinc/86/12/84/1173861284.db2.gz NJXZKJCEINVEBQ-UHFFFAOYSA-N -1 1 260.326 1.790 20 0 CDADMM Cc1csc(NC(=O)CSc2ncc(C)c(=O)[n-]2)n1 ZINC000578767441 324021251 /nfs/dbraw/zinc/02/12/51/324021251.db2.gz VJZUFJPBJSDGMN-UHFFFAOYSA-N -1 1 296.377 1.986 20 0 CDADMM C[C@H](SCC(=O)Nc1nnn[n-]1)c1ccc(F)cc1 ZINC000578845022 324035422 /nfs/dbraw/zinc/03/54/22/324035422.db2.gz RTHCRAOVGAPXCZ-ZETCQYMHSA-N -1 1 281.316 1.772 20 0 CDADMM C[C@H](SCC(=O)Nc1nn[n-]n1)c1ccc(F)cc1 ZINC000578845022 324035424 /nfs/dbraw/zinc/03/54/24/324035424.db2.gz RTHCRAOVGAPXCZ-ZETCQYMHSA-N -1 1 281.316 1.772 20 0 CDADMM CC1=C(C)C[C@@H](C(=O)N(C)C[C@H](C)c2nn[n-]n2)CC1 ZINC000579125272 324113400 /nfs/dbraw/zinc/11/34/00/324113400.db2.gz IBRRFFSXPBBTPO-RYUDHWBXSA-N -1 1 277.372 1.898 20 0 CDADMM O=c1[n-]nc(C2CCN(c3ccc4nccnc4n3)CC2)o1 ZINC000582578831 325001931 /nfs/dbraw/zinc/00/19/31/325001931.db2.gz DTOAZERCAYKLOQ-UHFFFAOYSA-N -1 1 298.306 1.497 20 0 CDADMM O=C(NC1(c2nn[n-]n2)CC1)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000583368049 325160784 /nfs/dbraw/zinc/16/07/84/325160784.db2.gz QRSXEHJXXXBAKP-QMTHXVAHSA-N -1 1 287.298 1.190 20 0 CDADMM C[C@H](CN(C)[C@H](C)c1cn(-c2ccccc2)nn1)C(=O)[O-] ZINC000583386683 325166208 /nfs/dbraw/zinc/16/62/08/325166208.db2.gz HKBOUGGHMWCZEQ-VXGBXAGGSA-N -1 1 288.351 1.981 20 0 CDADMM Cc1nsc(N[C@H]2CC23CCC3)c1-c1nn[n-]n1 ZINC001592483671 1173902886 /nfs/dbraw/zinc/90/28/86/1173902886.db2.gz AFCVNFMOQGZPDU-ZETCQYMHSA-N -1 1 262.342 1.986 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC(OC(C)C)C1 ZINC001592497324 1173904400 /nfs/dbraw/zinc/90/44/00/1173904400.db2.gz XNXCPIDWULZNMF-UHFFFAOYSA-N -1 1 291.311 1.018 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC(OC(C)C)C1 ZINC001592497324 1173904406 /nfs/dbraw/zinc/90/44/06/1173904406.db2.gz XNXCPIDWULZNMF-UHFFFAOYSA-N -1 1 291.311 1.018 20 0 CDADMM O=C(NCc1ccccc1CO)c1ncccc1[O-] ZINC000584398049 329455340 /nfs/dbraw/zinc/45/53/40/329455340.db2.gz OSJMEQWQJMXWHG-UHFFFAOYSA-N -1 1 258.277 1.210 20 0 CDADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)C[C@@H](O)C1CC1 ZINC000674814265 482284097 /nfs/dbraw/zinc/28/40/97/482284097.db2.gz OQBOZRNQDOWRGE-SECBINFHSA-N -1 1 297.380 1.055 20 0 CDADMM O=C(NCc1nn[n-]n1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000671719608 482528921 /nfs/dbraw/zinc/52/89/21/482528921.db2.gz KWGUCZXLTWWVSO-HBNTYKKESA-N -1 1 263.345 1.422 20 0 CDADMM O=C([O-])[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000680895636 482608142 /nfs/dbraw/zinc/60/81/42/482608142.db2.gz BDGJKCGKFVHPMS-BXKDBHETSA-N -1 1 277.324 1.295 20 0 CDADMM O=S(=O)(CCCF)[N-]C1(C(F)F)CCCC1 ZINC000673586312 482621708 /nfs/dbraw/zinc/62/17/08/482621708.db2.gz PZSRZMOWMRNVEU-UHFFFAOYSA-N -1 1 259.293 1.843 20 0 CDADMM O=C(NC[C@H]1CCCOC1)c1ccc([O-])c(F)c1 ZINC000681022239 482660406 /nfs/dbraw/zinc/66/04/06/482660406.db2.gz YHUAGTAYPXGHRN-SECBINFHSA-N -1 1 253.273 1.688 20 0 CDADMM CC(C)(CS(C)(=O)=O)NC(=O)c1ccc([O-])c(F)c1 ZINC000681068552 482681320 /nfs/dbraw/zinc/68/13/20/482681320.db2.gz SWYOZDCLQOAHLY-UHFFFAOYSA-N -1 1 289.328 1.084 20 0 CDADMM c1ccc(-c2noc([N-]Cc3nnnn3CC3CC3)n2)cc1 ZINC000681152056 482721046 /nfs/dbraw/zinc/72/10/46/482721046.db2.gz BMDOVWIFBWJPEB-UHFFFAOYSA-N -1 1 297.322 1.745 20 0 CDADMM C[C@H](CN(C)C(=O)Cc1cc2ccccc2o1)c1nn[n-]n1 ZINC000681353758 482822198 /nfs/dbraw/zinc/82/21/98/482822198.db2.gz ZFUHHDJFCLODDJ-SNVBAGLBSA-N -1 1 299.334 1.751 20 0 CDADMM CC(C)c1ccc2occ(C(=O)NCc3nn[n-]n3)c2c1 ZINC000672171005 482854289 /nfs/dbraw/zinc/85/42/89/482854289.db2.gz IJGPNJAUOLRUJA-UHFFFAOYSA-N -1 1 285.307 1.999 20 0 CDADMM O=C(c1ccc([O-])cc1F)N1CCN([C@@H]2CCOC2)CC1 ZINC000681530552 482890062 /nfs/dbraw/zinc/89/00/62/482890062.db2.gz VEKOSQCMAMNAFP-LLVKDONJSA-N -1 1 294.326 1.078 20 0 CDADMM O=C(c1cc(F)ccc1[O-])N1CCO[C@@H](C(F)(F)F)C1 ZINC000674327119 483008056 /nfs/dbraw/zinc/00/80/56/483008056.db2.gz ZXWVTXKUOFVJTG-SNVBAGLBSA-N -1 1 293.216 1.935 20 0 CDADMM O=S(=O)(CC(F)F)c1n[n-]c(CCC2CCCC2)n1 ZINC000671060187 483060661 /nfs/dbraw/zinc/06/06/61/483060661.db2.gz XJHGEKAGVSNXFK-UHFFFAOYSA-N -1 1 293.339 1.966 20 0 CDADMM C[C@H]1CN(C(=O)c2c(F)ccc([O-])c2F)C[C@H]1O ZINC000685458605 483129216 /nfs/dbraw/zinc/12/92/16/483129216.db2.gz GUMQCJQBQPDAIU-IMTBSYHQSA-N -1 1 257.236 1.123 20 0 CDADMM CN1CC[C@H](NC(=O)c2c(F)ccc([O-])c2F)CC1=O ZINC000685477718 483145320 /nfs/dbraw/zinc/14/53/20/483145320.db2.gz JJYJINMQDIASTR-ZETCQYMHSA-N -1 1 284.262 1.021 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2cccc3c2OCC(=O)N3)c1[O-] ZINC000685886821 483246354 /nfs/dbraw/zinc/24/63/54/483246354.db2.gz LSXFQULCKWKCNW-UHFFFAOYSA-N -1 1 288.263 1.007 20 0 CDADMM COc1cncc(C(=O)[N-]c2nnc(C3CC3)s2)n1 ZINC000682866456 483368842 /nfs/dbraw/zinc/36/88/42/483368842.db2.gz LXBKRUSVXPUFPQ-UHFFFAOYSA-N -1 1 277.309 1.466 20 0 CDADMM C[C@](O)(C[N-]S(=O)(=O)c1cc2ccccc2o1)C1CC1 ZINC000676855744 483629633 /nfs/dbraw/zinc/62/96/33/483629633.db2.gz BGJNTISUEDQPPG-AWEZNQCLSA-N -1 1 295.360 1.872 20 0 CDADMM CC[C@@H](C(=O)N(C)c1nn[n-]n1)c1ccc(OC)cc1 ZINC000822541626 1161927885 /nfs/dbraw/zinc/92/78/85/1161927885.db2.gz OCYFNWUKITXUPB-LLVKDONJSA-N -1 1 275.312 1.365 20 0 CDADMM COc1ccc(N(C)C(=O)c2ccc(O)cc2[O-])cn1 ZINC000171420271 533979712 /nfs/dbraw/zinc/97/97/12/533979712.db2.gz QTOKCWOUADKKIX-UHFFFAOYSA-N -1 1 274.276 1.778 20 0 CDADMM Cc1cc(OCC(=O)Nc2nc(Cl)ccc2[O-])no1 ZINC000790050743 1162124631 /nfs/dbraw/zinc/12/46/31/1162124631.db2.gz IAHRYRGJBYGQMA-UHFFFAOYSA-N -1 1 283.671 1.755 20 0 CDADMM CC(C)N(CCC(=O)[O-])C(=O)c1cccc2c[nH]nc21 ZINC000236760187 519641995 /nfs/dbraw/zinc/64/19/95/519641995.db2.gz LBVKBNFMHPXKJV-UHFFFAOYSA-N -1 1 275.308 1.888 20 0 CDADMM CCCCC[C@H](CC)C(=O)NN1CC(=O)[N-]C1=O ZINC000182498750 520311122 /nfs/dbraw/zinc/31/11/22/520311122.db2.gz FKJUAKCPCKSEPU-VIFPVBQESA-N -1 1 255.318 1.176 20 0 CDADMM CCC[C@@H](NC(=O)CCc1ccc(O)cc1)c1nn[n-]n1 ZINC000184009208 520731199 /nfs/dbraw/zinc/73/11/99/520731199.db2.gz AMBSYGYZIBSYSO-GFCCVEGCSA-N -1 1 289.339 1.496 20 0 CDADMM CCC[C@H](N[C@H](C)C(=O)Nc1ccccc1)C(=O)[O-] ZINC000185040211 521172363 /nfs/dbraw/zinc/17/23/63/521172363.db2.gz KZNZOVDQVXNWHK-PWSUYJOCSA-N -1 1 264.325 1.857 20 0 CDADMM CCCc1cc(=O)[n-]c(SCC2OCCO2)n1 ZINC000005154798 521344571 /nfs/dbraw/zinc/34/45/71/521344571.db2.gz YZSRTTZVKIRQDG-UHFFFAOYSA-N -1 1 256.327 1.187 20 0 CDADMM CC[C@@H](C)OCC(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000339441835 522240833 /nfs/dbraw/zinc/24/08/33/522240833.db2.gz VBPQNAUVTSVCLL-SECBINFHSA-N -1 1 283.328 1.296 20 0 CDADMM O=C(c1cc(F)ccc1[O-])N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000155142561 534667623 /nfs/dbraw/zinc/66/76/23/534667623.db2.gz JXXHPQQOALCGJB-KBPBESRZSA-N -1 1 295.310 1.551 20 0 CDADMM COCCC(C)(C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000183441511 522974229 /nfs/dbraw/zinc/97/42/29/522974229.db2.gz KKWZULUHWHYPGT-UHFFFAOYSA-N -1 1 280.250 1.825 20 0 CDADMM CCn1c(CCNC(=O)c2cccn2C)n[n-]c1=S ZINC000067077509 523182985 /nfs/dbraw/zinc/18/29/85/523182985.db2.gz LRHRJKXIHGFOEQ-UHFFFAOYSA-N -1 1 279.369 1.272 20 0 CDADMM CC[C@H](C)NC(=O)CS(=O)(=O)c1ccc([O-])cc1 ZINC000049489276 523974271 /nfs/dbraw/zinc/97/42/71/523974271.db2.gz JCYXQXJHRQKJDP-VIFPVBQESA-N -1 1 271.338 1.081 20 0 CDADMM Cc1cc(C(=O)NCCc2n[n-]c(=S)n2C2CC2)[nH]n1 ZINC000067080059 524085800 /nfs/dbraw/zinc/08/58/00/524085800.db2.gz QDCAOXJLRFJKFS-UHFFFAOYSA-N -1 1 292.368 1.280 20 0 CDADMM Cc1ccc(NC(=O)[C@H](C)N2CC[C@@H](C(=O)[O-])C2)cc1F ZINC000246750171 525212052 /nfs/dbraw/zinc/21/20/52/525212052.db2.gz ZTFGVDVTEVDSFR-WDEREUQCSA-N -1 1 294.326 1.868 20 0 CDADMM C[S@](=O)c1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000339937407 525397082 /nfs/dbraw/zinc/39/70/82/525397082.db2.gz LRGRNUVISVDTHV-IBGZPJMESA-N -1 1 276.317 1.777 20 0 CDADMM C[C@@H](O)C[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000340790831 525835630 /nfs/dbraw/zinc/83/56/30/525835630.db2.gz SDCPLPPKOLIZIV-JGVFFNPUSA-N -1 1 279.308 1.403 20 0 CDADMM CSc1cc(CNC(=O)c2cncc([O-])c2)ccn1 ZINC000340007402 525943446 /nfs/dbraw/zinc/94/34/46/525943446.db2.gz ZEDISYXTGATQSB-UHFFFAOYSA-N -1 1 275.333 1.834 20 0 CDADMM CSc1ccsc1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000183452581 526194316 /nfs/dbraw/zinc/19/43/16/526194316.db2.gz HSLHZAWMMTZUBA-SSDOTTSWSA-N -1 1 297.409 1.859 20 0 CDADMM CCC[C@H](NC(=O)COc1cccc(C)c1)c1nn[n-]n1 ZINC000176777616 528177959 /nfs/dbraw/zinc/17/79/59/528177959.db2.gz BFTQYTLUXWWURY-LBPRGKRZSA-N -1 1 289.339 1.545 20 0 CDADMM CC(C)c1nnc(CS(=O)(=O)c2ccc([O-])cc2)[nH]1 ZINC000291831991 528285485 /nfs/dbraw/zinc/28/54/85/528285485.db2.gz DDMTWMHPKWAQIJ-UHFFFAOYSA-N -1 1 281.337 1.608 20 0 CDADMM CCCCCNC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000179379430 535074493 /nfs/dbraw/zinc/07/44/93/535074493.db2.gz WNQAFAWLTFRVHW-UHFFFAOYSA-N -1 1 262.313 1.594 20 0 CDADMM Cc1cc(NC(=O)[C@H](C)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)on1 ZINC001600249150 1174422770 /nfs/dbraw/zinc/42/27/70/1174422770.db2.gz APFMNNGZPACBAL-DVVUODLYSA-N -1 1 295.339 1.353 20 0 CDADMM CC[C@@H](NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)[C@@H](C)O ZINC000334105994 535799153 /nfs/dbraw/zinc/79/91/53/535799153.db2.gz MYZHDDDVWTUYJH-NXEZZACHSA-N -1 1 295.383 1.677 20 0 CDADMM CCc1cc(C(=O)N2CCC[C@@H]2CC(=O)[O-])n[nH]1 ZINC000263005864 536106533 /nfs/dbraw/zinc/10/65/33/536106533.db2.gz RRFTZRKNVDYTRB-SECBINFHSA-N -1 1 251.286 1.051 20 0 CDADMM CCc1ccc(C(=O)N(C)c2ccn(C)n2)c([O-])c1 ZINC000334192206 536164986 /nfs/dbraw/zinc/16/49/86/536164986.db2.gz ISHDKWUWJQZFIF-UHFFFAOYSA-N -1 1 259.309 1.965 20 0 CDADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])[C@H]1CN(C)CCO1 ZINC000119100806 538162406 /nfs/dbraw/zinc/16/24/06/538162406.db2.gz ZVAORDKEWLLCKK-NOZJJQNGSA-N -1 1 298.770 1.495 20 0 CDADMM CCN1CCN(C(=O)c2ccc(F)cc2[O-])C[C@H]1C ZINC000229396206 538326843 /nfs/dbraw/zinc/32/68/43/538326843.db2.gz AKEIOWPGXBXLOD-SNVBAGLBSA-N -1 1 266.316 1.698 20 0 CDADMM Cc1nc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])n[nH]1 ZINC001600670249 1174556447 /nfs/dbraw/zinc/55/64/47/1174556447.db2.gz DNYAZGPQTXSEDI-RNCFNFMXSA-N -1 1 274.324 1.665 20 0 CDADMM Cc1nc(C)c(C(=O)Nc2cccc(C(=O)[O-])c2N)[nH]1 ZINC001600684714 1174560468 /nfs/dbraw/zinc/56/04/68/1174560468.db2.gz SZBHEYLOGVNULH-UHFFFAOYSA-N -1 1 274.280 1.559 20 0 CDADMM Cc1nn(C)cc1CN[C@](C)(CC(=O)[O-])c1ccncc1 ZINC001600779111 1174608073 /nfs/dbraw/zinc/60/80/73/1174608073.db2.gz XPIPRXAPKWDYBR-OAHLLOKOSA-N -1 1 288.351 1.603 20 0 CDADMM Cc1sc(C(=O)[O-])cc1CN1CC=C[C@H]1CO ZINC001600867365 1174649151 /nfs/dbraw/zinc/64/91/51/1174649151.db2.gz KBLFGKWROJXVMT-JTQLQIEISA-N -1 1 253.323 1.487 20 0 CDADMM O=C([O-])c1ccc(NC(=O)CCc2nc[nH]n2)s1 ZINC001601297697 1174827368 /nfs/dbraw/zinc/82/73/68/1174827368.db2.gz XVHIWSMQAISUTL-UHFFFAOYSA-N -1 1 266.282 1.136 20 0 CDADMM c1ccc2c(c1)CCCN(c1nccnc1-c1nnn[n-]1)C2 ZINC000738442449 574587734 /nfs/dbraw/zinc/58/77/34/574587734.db2.gz OARAROPXYGNBFI-UHFFFAOYSA-N -1 1 293.334 1.610 20 0 CDADMM c1ccc2c(c1)CCCN(c1nccnc1-c1nn[n-]n1)C2 ZINC000738442449 574587737 /nfs/dbraw/zinc/58/77/37/574587737.db2.gz OARAROPXYGNBFI-UHFFFAOYSA-N -1 1 293.334 1.610 20 0 CDADMM O=C([O-])[C@H](CCF)NC(=O)c1cc2[nH]cnc2cc1F ZINC001601412827 1174863325 /nfs/dbraw/zinc/86/33/25/1174863325.db2.gz NHNXDUWSTHNJPU-QMMMGPOBSA-N -1 1 283.234 1.245 20 0 CDADMM Cc1ncccc1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000731092826 575032589 /nfs/dbraw/zinc/03/25/89/575032589.db2.gz HZDMRQUOTZWSSX-UHFFFAOYSA-N -1 1 298.298 1.503 20 0 CDADMM O=C(C=Cc1nc2ccccc2s1)NCc1nn[n-]n1 ZINC000731888308 575069712 /nfs/dbraw/zinc/06/97/12/575069712.db2.gz UPZRULDTVFXNLN-WAYWQWQTSA-N -1 1 286.320 1.139 20 0 CDADMM O=C([O-])C12CCC(CC1)N2S(=O)(=O)c1ccccc1O ZINC001601732705 1174973831 /nfs/dbraw/zinc/97/38/31/1174973831.db2.gz ZVLDZFODKSGZMH-UHFFFAOYSA-N -1 1 297.332 1.163 20 0 CDADMM C[C@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@H]1O ZINC000768827306 575138300 /nfs/dbraw/zinc/13/83/00/575138300.db2.gz PBJHBRBNPDHBKY-OIBJUYFYSA-N -1 1 255.701 1.498 20 0 CDADMM Cc1nnc([N-]C(=O)c2cnc([C@@H](C)O)s2)s1 ZINC000774353521 575200627 /nfs/dbraw/zinc/20/06/27/575200627.db2.gz IKYPEULFNKIQML-SCSAIBSYSA-N -1 1 270.339 1.609 20 0 CDADMM CC(C)CC[C@](C)(O)CNc1nccnc1-c1nnn[n-]1 ZINC000735796939 575511259 /nfs/dbraw/zinc/51/12/59/575511259.db2.gz KETVFCXNCBOGLD-ZDUSSCGKSA-N -1 1 291.359 1.256 20 0 CDADMM CC(C)CC[C@](C)(O)CNc1nccnc1-c1nn[n-]n1 ZINC000735796939 575511262 /nfs/dbraw/zinc/51/12/62/575511262.db2.gz KETVFCXNCBOGLD-ZDUSSCGKSA-N -1 1 291.359 1.256 20 0 CDADMM C[C@H]1CCN1c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736281381 575611954 /nfs/dbraw/zinc/61/19/54/575611954.db2.gz VIJXOIFTHQJXGZ-QMMMGPOBSA-N -1 1 267.296 1.409 20 0 CDADMM C[C@H]1CCN1c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736281381 575611957 /nfs/dbraw/zinc/61/19/57/575611957.db2.gz VIJXOIFTHQJXGZ-QMMMGPOBSA-N -1 1 267.296 1.409 20 0 CDADMM C[C@H]1COCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736293057 575614506 /nfs/dbraw/zinc/61/45/06/575614506.db2.gz NLQQWZMRWQCDKR-ZETCQYMHSA-N -1 1 280.719 1.140 20 0 CDADMM C[C@H]1COCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736293057 575614508 /nfs/dbraw/zinc/61/45/08/575614508.db2.gz NLQQWZMRWQCDKR-ZETCQYMHSA-N -1 1 280.719 1.140 20 0 CDADMM CC(C)(NC(=O)[O-])C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000736332542 575628093 /nfs/dbraw/zinc/62/80/93/575628093.db2.gz KHQGSJZVCHJTQU-UHFFFAOYSA-N -1 1 289.295 1.252 20 0 CDADMM C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)N1CCc2ccccc21)C(=O)[O-] ZINC000736576343 575695142 /nfs/dbraw/zinc/69/51/42/575695142.db2.gz YBKZLLFKLBQRNV-RYUDHWBXSA-N -1 1 290.363 1.617 20 0 CDADMM CN(CCOc1ccccc1)c1cnc(-c2nnn[n-]2)cn1 ZINC000736801782 575752044 /nfs/dbraw/zinc/75/20/44/575752044.db2.gz LCAKERUUKVIWPA-UHFFFAOYSA-N -1 1 297.322 1.172 20 0 CDADMM CN(CCOc1ccccc1)c1cnc(-c2nn[n-]n2)cn1 ZINC000736801782 575752048 /nfs/dbraw/zinc/75/20/48/575752048.db2.gz LCAKERUUKVIWPA-UHFFFAOYSA-N -1 1 297.322 1.172 20 0 CDADMM CC[C@](C)(NCC(=O)NCCc1ccccc1C)C(=O)[O-] ZINC000736861199 575765463 /nfs/dbraw/zinc/76/54/63/575765463.db2.gz IAOVKCHMSCRKPD-INIZCTEOSA-N -1 1 292.379 1.497 20 0 CDADMM CC[C@@H](C)[C@H](NC(=O)CN1CCCC(C)(C)C1)C(=O)[O-] ZINC000736879078 575768308 /nfs/dbraw/zinc/76/83/08/575768308.db2.gz 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/nfs/dbraw/zinc/02/26/14/576022614.db2.gz VEVGUTPRULROOZ-SECBINFHSA-N -1 1 255.318 1.368 20 0 CDADMM C[C@H](CC(=O)OCc1nc(=O)n(C)[n-]1)CC(C)(C)C ZINC000765460366 576026430 /nfs/dbraw/zinc/02/64/30/576026430.db2.gz HQDZRLLLGODCSK-SECBINFHSA-N -1 1 269.345 1.614 20 0 CDADMM C[C@@H]1CCC[C@H](CC(=O)OCc2nc(=O)n(C)[n-]2)C1 ZINC000765461127 576026452 /nfs/dbraw/zinc/02/64/52/576026452.db2.gz JVFPJEORCRLSQJ-ZJUUUORDSA-N -1 1 267.329 1.368 20 0 CDADMM Cc1ccc(C)c(CC(=O)OCc2nc(=O)n(C)[n-]2)c1 ZINC000765468194 576027338 /nfs/dbraw/zinc/02/73/38/576027338.db2.gz QRWHPMZHEZDPFX-UHFFFAOYSA-N -1 1 275.308 1.011 20 0 CDADMM CN1CCC[C@H]1C(=O)N[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000738015771 576031475 /nfs/dbraw/zinc/03/14/75/576031475.db2.gz MPCNHMLJVKURCU-XJKSGUPXSA-N -1 1 288.347 1.123 20 0 CDADMM Cc1cc(C(=O)Nc2nnc(CCCC(=O)[O-])s2)on1 ZINC000738341968 576060729 /nfs/dbraw/zinc/06/07/29/576060729.db2.gz IHKONJAKNKPHFF-UHFFFAOYSA-N -1 1 296.308 1.494 20 0 CDADMM Cc1cc(C(=O)Nc2nnc(CCC(=O)[O-])s2)on1 ZINC000738339031 576060997 /nfs/dbraw/zinc/06/09/97/576060997.db2.gz PQBNOKLOCRLIEV-UHFFFAOYSA-N -1 1 282.281 1.104 20 0 CDADMM Oc1cccc(CCNc2nccnc2-c2nnn[n-]2)c1 ZINC000738400856 576068980 /nfs/dbraw/zinc/06/89/80/576068980.db2.gz MDVZPELFOGULSS-UHFFFAOYSA-N -1 1 283.295 1.017 20 0 CDADMM Oc1cccc(CCNc2nccnc2-c2nn[n-]n2)c1 ZINC000738400856 576068982 /nfs/dbraw/zinc/06/89/82/576068982.db2.gz MDVZPELFOGULSS-UHFFFAOYSA-N -1 1 283.295 1.017 20 0 CDADMM O=C([O-])N1CCC[C@@H](NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC000739387243 576223089 /nfs/dbraw/zinc/22/30/89/576223089.db2.gz MCECCYPPNVGBSP-SECBINFHSA-N -1 1 292.339 1.161 20 0 CDADMM Cc1csc(CCC(=O)[N-]OCC(F)F)n1 ZINC000767993544 576247270 /nfs/dbraw/zinc/24/72/70/576247270.db2.gz SCRKGCGKEQULGB-UHFFFAOYSA-N -1 1 250.270 1.697 20 0 CDADMM NC(=O)C1(NC(=O)c2ccc([O-])c(F)c2)CCCC1 ZINC000768143835 576260860 /nfs/dbraw/zinc/26/08/60/576260860.db2.gz LDCKIJXJWHKLQO-UHFFFAOYSA-N -1 1 266.272 1.059 20 0 CDADMM O=C([O-])[C@@H]1CC[C@@H](NCc2nc(C(F)F)no2)C1 ZINC001601796211 1175009721 /nfs/dbraw/zinc/00/97/21/1175009721.db2.gz NTYUYOUUQGPWDV-PHDIDXHHSA-N -1 1 261.228 1.350 20 0 CDADMM C[C@@H](CN(C)C(=O)c1cc(Cl)cs1)c1nn[n-]n1 ZINC000760506774 576490096 /nfs/dbraw/zinc/49/00/96/576490096.db2.gz XEHLNHHJRMBREG-LURJTMIESA-N -1 1 285.760 1.790 20 0 CDADMM CC[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@H]1O ZINC000760971682 576531392 /nfs/dbraw/zinc/53/13/92/576531392.db2.gz BQSIJFLOHQGPSG-LDYMZIIASA-N -1 1 269.728 1.889 20 0 CDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)C2(C)CC2)cc1 ZINC000761440448 576576495 /nfs/dbraw/zinc/57/64/95/576576495.db2.gz BQIMTXJNTZUFLZ-UHFFFAOYSA-N -1 1 291.303 1.295 20 0 CDADMM O=C(Nc1nn[n-]n1)c1cc(OCc2ccccc2)ccn1 ZINC000742687316 576613090 /nfs/dbraw/zinc/61/30/90/576613090.db2.gz VLIZUGCKOUQSHF-UHFFFAOYSA-N -1 1 296.290 1.426 20 0 CDADMM Cc1cccc(C)c1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000762207141 576628935 /nfs/dbraw/zinc/62/89/35/576628935.db2.gz OWURIDFXOMIBDH-LLVKDONJSA-N -1 1 287.323 1.030 20 0 CDADMM Cn1cc([C@H](O)CNC(=O)c2c([O-])cccc2Cl)cn1 ZINC000743645000 576649033 /nfs/dbraw/zinc/64/90/33/576649033.db2.gz HLPNRNXTRAYLCW-LLVKDONJSA-N -1 1 295.726 1.243 20 0 CDADMM CC(=O)c1ccc([O-])c(CCOC(=O)C2=COCCO2)c1 ZINC000744470474 576682275 /nfs/dbraw/zinc/68/22/75/576682275.db2.gz YKAAJYHZBHZAIM-UHFFFAOYSA-N -1 1 292.287 1.569 20 0 CDADMM CC(=O)c1ccc([O-])c(CCOC(=O)C2(O)CCCC2)c1 ZINC000744738112 576694493 /nfs/dbraw/zinc/69/44/93/576694493.db2.gz XWWAHWBSSXOEQL-UHFFFAOYSA-N -1 1 292.331 1.986 20 0 CDADMM Cc1cc(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)on1 ZINC000747367124 576867050 /nfs/dbraw/zinc/86/70/50/576867050.db2.gz NZGPPJTYGTVHJD-UHFFFAOYSA-N -1 1 290.323 1.840 20 0 CDADMM CC(C)OCCC(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000747473669 576872027 /nfs/dbraw/zinc/87/20/27/576872027.db2.gz JZXJAHCLSRCOIY-ZDUSSCGKSA-N -1 1 289.339 1.220 20 0 CDADMM COCCO[N-]C(=O)c1c(F)c(F)cc(F)c1F ZINC000748771845 576923911 /nfs/dbraw/zinc/92/39/11/576923911.db2.gz WPSRMFOLEFAALG-UHFFFAOYSA-N -1 1 267.178 1.551 20 0 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-1 1 286.372 1.794 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CN2CCOC3(CCC3)C2)O1 ZINC000833581845 605378976 /nfs/dbraw/zinc/37/89/76/605378976.db2.gz YCARKGGPIMPALY-LLVKDONJSA-N -1 1 267.325 1.389 20 0 CDADMM Cc1cc(C[C@H](C)NC(=O)[C@@H](NC(=O)[O-])C(C)C)n[nH]1 ZINC000830029434 605434552 /nfs/dbraw/zinc/43/45/52/605434552.db2.gz GPYLISSBQJZIHX-KWQFWETISA-N -1 1 282.344 1.058 20 0 CDADMM Cc1c(NC(=O)N[C@@H](C)c2nnc[nH]2)cccc1C(=O)[O-] ZINC000230435365 605480119 /nfs/dbraw/zinc/48/01/19/605480119.db2.gz FZSPTYWQOMLOKT-QMMMGPOBSA-N -1 1 289.295 1.694 20 0 CDADMM COCCCCCN1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC000833724470 605684093 /nfs/dbraw/zinc/68/40/93/605684093.db2.gz DJNMKBUMRBGTKA-NEPJUHHUSA-N -1 1 287.356 1.141 20 0 CDADMM C[C@H](O)[C@H]1CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000833527744 605698606 /nfs/dbraw/zinc/69/86/06/605698606.db2.gz LPZDGDAJZZKWKE-JQWIXIFHSA-N -1 1 292.335 1.026 20 0 CDADMM CC(C)(C)[C@H](NCc1cc(C(=O)[O-])ccc1F)C(N)=O ZINC000833447040 605839470 /nfs/dbraw/zinc/83/94/70/605839470.db2.gz WPNOFAPQNBLZDN-LLVKDONJSA-N -1 1 282.315 1.514 20 0 CDADMM CCOCCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821384167 606134280 /nfs/dbraw/zinc/13/42/80/606134280.db2.gz RTDRVFFDCOEBMG-UHFFFAOYSA-N -1 1 268.298 1.122 20 0 CDADMM CCOCCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821384167 606134281 /nfs/dbraw/zinc/13/42/81/606134281.db2.gz RTDRVFFDCOEBMG-UHFFFAOYSA-N -1 1 268.298 1.122 20 0 CDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC1 ZINC000822535321 606295645 /nfs/dbraw/zinc/29/56/45/606295645.db2.gz NEJWQZSMGVRDFC-UHFFFAOYSA-N -1 1 298.306 1.405 20 0 CDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC1 ZINC000822535321 606295646 /nfs/dbraw/zinc/29/56/46/606295646.db2.gz NEJWQZSMGVRDFC-UHFFFAOYSA-N -1 1 298.306 1.405 20 0 CDADMM Cc1nnc(NC(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC000822510301 606490428 /nfs/dbraw/zinc/49/04/28/606490428.db2.gz LOMUFWCDZLBQPM-UHFFFAOYSA-N -1 1 293.337 1.340 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H](C)CO1 ZINC000820744204 606506545 /nfs/dbraw/zinc/50/65/45/606506545.db2.gz WTDYFTCQULQBDC-YUMQZZPRSA-N -1 1 293.352 1.178 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)[C@@H](C)CO1 ZINC000820744204 606506547 /nfs/dbraw/zinc/50/65/47/606506547.db2.gz WTDYFTCQULQBDC-YUMQZZPRSA-N -1 1 293.352 1.178 20 0 CDADMM COCc1noc(-c2ccc(-c3nnn[n-]3)s2)n1 ZINC000821696733 606619556 /nfs/dbraw/zinc/61/95/56/606619556.db2.gz NZEIXLNFUZUQRM-UHFFFAOYSA-N -1 1 264.270 1.125 20 0 CDADMM COCc1noc(-c2ccc(-c3nn[n-]n3)s2)n1 ZINC000821696733 606619558 /nfs/dbraw/zinc/61/95/58/606619558.db2.gz NZEIXLNFUZUQRM-UHFFFAOYSA-N -1 1 264.270 1.125 20 0 CDADMM OCCc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000823722432 606657570 /nfs/dbraw/zinc/65/75/70/606657570.db2.gz PQQDBTNWNHMAOV-UHFFFAOYSA-N -1 1 285.307 1.607 20 0 CDADMM OCCc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000823722432 606657571 /nfs/dbraw/zinc/65/75/71/606657571.db2.gz PQQDBTNWNHMAOV-UHFFFAOYSA-N -1 1 285.307 1.607 20 0 CDADMM CC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820987603 606689736 /nfs/dbraw/zinc/68/97/36/606689736.db2.gz ADPGVQZKHUMYJG-SECBINFHSA-N -1 1 272.312 1.134 20 0 CDADMM CC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820987603 606689737 /nfs/dbraw/zinc/68/97/37/606689737.db2.gz ADPGVQZKHUMYJG-SECBINFHSA-N -1 1 272.312 1.134 20 0 CDADMM C[C@@]1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CCCO1 ZINC000820623477 606724128 /nfs/dbraw/zinc/72/41/28/606724128.db2.gz RTYFCXYRJWJTEM-LBPRGKRZSA-N -1 1 294.746 1.896 20 0 CDADMM C[C@@]1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CCCO1 ZINC000820623477 606724130 /nfs/dbraw/zinc/72/41/30/606724130.db2.gz RTYFCXYRJWJTEM-LBPRGKRZSA-N -1 1 294.746 1.896 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCSC1 ZINC000823436390 606801901 /nfs/dbraw/zinc/80/19/01/606801901.db2.gz SVFSZRQAVPFHBO-SECBINFHSA-N -1 1 291.336 1.058 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCSC1 ZINC000823436390 606801903 /nfs/dbraw/zinc/80/19/03/606801903.db2.gz SVFSZRQAVPFHBO-SECBINFHSA-N -1 1 291.336 1.058 20 0 CDADMM Cc1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)n1C ZINC000822227241 607108223 /nfs/dbraw/zinc/10/82/23/607108223.db2.gz ATEIFWPIVWYCIB-UHFFFAOYSA-N -1 1 289.324 1.222 20 0 CDADMM Cc1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)n1C ZINC000822227241 607108224 /nfs/dbraw/zinc/10/82/24/607108224.db2.gz ATEIFWPIVWYCIB-UHFFFAOYSA-N -1 1 289.324 1.222 20 0 CDADMM O=Cc1cccc(Oc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826484320 607895209 /nfs/dbraw/zinc/89/52/09/607895209.db2.gz YKECUQLKJDJTIV-UHFFFAOYSA-N -1 1 267.248 1.867 20 0 CDADMM O=Cc1cccc(Oc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826484320 607895210 /nfs/dbraw/zinc/89/52/10/607895210.db2.gz YKECUQLKJDJTIV-UHFFFAOYSA-N -1 1 267.248 1.867 20 0 CDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCc2ccccc21 ZINC000826004037 607988421 /nfs/dbraw/zinc/98/84/21/607988421.db2.gz FXFRMORGWXSPMM-CYBMUJFWSA-N -1 1 293.334 1.780 20 0 CDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCc2ccccc21 ZINC000826004037 607988422 /nfs/dbraw/zinc/98/84/22/607988422.db2.gz FXFRMORGWXSPMM-CYBMUJFWSA-N -1 1 293.334 1.780 20 0 CDADMM c1cn(Cc2ncc(-c3ccccc3)o2)c(-c2nnn[n-]2)n1 ZINC000826518904 608013933 /nfs/dbraw/zinc/01/39/33/608013933.db2.gz BXHWEHLOHOCSMN-UHFFFAOYSA-N -1 1 293.290 1.767 20 0 CDADMM c1cn(Cc2ncc(-c3ccccc3)o2)c(-c2nn[n-]n2)n1 ZINC000826518904 608013934 /nfs/dbraw/zinc/01/39/34/608013934.db2.gz BXHWEHLOHOCSMN-UHFFFAOYSA-N -1 1 293.290 1.767 20 0 CDADMM C[C@@H]1CCC[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824925451 608142422 /nfs/dbraw/zinc/14/24/22/608142422.db2.gz CULFCXJTEOOHGS-MWLCHTKSSA-N -1 1 287.323 1.741 20 0 CDADMM C[C@@H]1CCC[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824925451 608142423 /nfs/dbraw/zinc/14/24/23/608142423.db2.gz CULFCXJTEOOHGS-MWLCHTKSSA-N -1 1 287.323 1.741 20 0 CDADMM CCC[C@@H](C(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(C)C ZINC000825225094 608158009 /nfs/dbraw/zinc/15/80/09/608158009.db2.gz LHIZEPLSTXZIIW-SECBINFHSA-N -1 1 291.359 1.611 20 0 CDADMM CCC[C@@H](C(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(C)C ZINC000825225094 608158011 /nfs/dbraw/zinc/15/80/11/608158011.db2.gz LHIZEPLSTXZIIW-SECBINFHSA-N -1 1 291.359 1.611 20 0 CDADMM Cn1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)n1 ZINC000826363464 608232465 /nfs/dbraw/zinc/23/24/65/608232465.db2.gz NRTCYSWYXDANOG-UHFFFAOYSA-N -1 1 290.718 1.261 20 0 CDADMM Cn1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)n1 ZINC000826363464 608232467 /nfs/dbraw/zinc/23/24/67/608232467.db2.gz NRTCYSWYXDANOG-UHFFFAOYSA-N -1 1 290.718 1.261 20 0 CDADMM CS[C@@H](C)CCC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000826225872 608342598 /nfs/dbraw/zinc/34/25/98/608342598.db2.gz MQPGBHWPWMKYQO-ZETCQYMHSA-N -1 1 295.372 1.070 20 0 CDADMM CS[C@@H](C)CCC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000826225872 608342600 /nfs/dbraw/zinc/34/26/00/608342600.db2.gz MQPGBHWPWMKYQO-ZETCQYMHSA-N -1 1 295.372 1.070 20 0 CDADMM Cc1ccc(CN(C)c2ccc(-c3nnn[n-]3)nn2)o1 ZINC000826287817 608390105 /nfs/dbraw/zinc/39/01/05/608390105.db2.gz FGOQCWLKONRRLJ-UHFFFAOYSA-N -1 1 271.284 1.195 20 0 CDADMM C[C@H](Cc1ccco1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824458667 608396015 /nfs/dbraw/zinc/39/60/15/608396015.db2.gz WPBRUNSZYWQMCV-MRVPVSSYSA-N -1 1 271.284 1.293 20 0 CDADMM C[C@H](Cc1ccco1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824458667 608396017 /nfs/dbraw/zinc/39/60/17/608396017.db2.gz WPBRUNSZYWQMCV-MRVPVSSYSA-N -1 1 271.284 1.293 20 0 CDADMM Fc1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826376441 608397447 /nfs/dbraw/zinc/39/74/47/608397447.db2.gz DTUQPWKWVMEJEH-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM Fc1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826376441 608397449 /nfs/dbraw/zinc/39/74/49/608397449.db2.gz DTUQPWKWVMEJEH-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM c1ccc2c(c1)CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000826523838 608420812 /nfs/dbraw/zinc/42/08/12/608420812.db2.gz ZJNVUKSCNLUEFK-UHFFFAOYSA-N -1 1 293.334 1.262 20 0 CDADMM c1ccc2c(c1)CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000826523838 608420813 /nfs/dbraw/zinc/42/08/13/608420813.db2.gz ZJNVUKSCNLUEFK-UHFFFAOYSA-N -1 1 293.334 1.262 20 0 CDADMM CC(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000824225354 608424344 /nfs/dbraw/zinc/42/43/44/608424344.db2.gz TXQCTYHCFHPFGG-UHFFFAOYSA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000824225354 608424345 /nfs/dbraw/zinc/42/43/45/608424345.db2.gz TXQCTYHCFHPFGG-UHFFFAOYSA-N -1 1 273.344 1.529 20 0 CDADMM C[C@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC[C@H]1O ZINC000824832792 608428490 /nfs/dbraw/zinc/42/84/90/608428490.db2.gz WEQFSEKOPGUMHS-ZWNOBZJWSA-N -1 1 289.343 1.010 20 0 CDADMM C[C@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC[C@H]1O ZINC000824832792 608428491 /nfs/dbraw/zinc/42/84/91/608428491.db2.gz WEQFSEKOPGUMHS-ZWNOBZJWSA-N -1 1 289.343 1.010 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC(C)CC1 ZINC000826279847 608541244 /nfs/dbraw/zinc/54/12/44/608541244.db2.gz DTBBNMMASIGSFT-UHFFFAOYSA-N -1 1 258.329 1.806 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1CCCc1cccc(F)c1 ZINC000826501421 609431044 /nfs/dbraw/zinc/43/10/44/609431044.db2.gz PHQWYESHFYIIJZ-UHFFFAOYSA-N -1 1 299.309 1.800 20 0 CDADMM Cc1cnc([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)o1 ZINC000826317728 609435853 /nfs/dbraw/zinc/43/58/53/609435853.db2.gz LWAZROYGRZMOEI-ZETCQYMHSA-N -1 1 272.272 1.126 20 0 CDADMM Cc1cnc([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)o1 ZINC000826317728 609435855 /nfs/dbraw/zinc/43/58/55/609435855.db2.gz LWAZROYGRZMOEI-ZETCQYMHSA-N -1 1 272.272 1.126 20 0 CDADMM Cc1cc(F)ccc1Cn1ccnc1-c1nnn[n-]1 ZINC000826269040 609491100 /nfs/dbraw/zinc/49/11/00/609491100.db2.gz YIDCJZBZXLSVQF-UHFFFAOYSA-N -1 1 258.260 1.559 20 0 CDADMM Cc1cc(F)ccc1Cn1ccnc1-c1nn[n-]n1 ZINC000826269040 609491101 /nfs/dbraw/zinc/49/11/01/609491101.db2.gz YIDCJZBZXLSVQF-UHFFFAOYSA-N -1 1 258.260 1.559 20 0 CDADMM CC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)c1ncccc1[O-] ZINC000962532742 613405480 /nfs/dbraw/zinc/40/54/80/613405480.db2.gz XWDQMTWWZBAGAQ-NWDGAFQWSA-N -1 1 289.335 1.013 20 0 CDADMM Cc1cc(C[C@H](C)NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)n[nH]1 ZINC000663042869 617396074 /nfs/dbraw/zinc/39/60/74/617396074.db2.gz ZWPJWBAWYLYQRO-RMLUDKJBSA-N -1 1 279.340 1.266 20 0 CDADMM CC(C)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1C ZINC000966351119 613935176 /nfs/dbraw/zinc/93/51/76/613935176.db2.gz RPUYVSAAKOHBDE-WDEREUQCSA-N -1 1 291.351 1.020 20 0 CDADMM CC(C)(C)C(=O)N1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000949538666 614333708 /nfs/dbraw/zinc/33/37/08/614333708.db2.gz OROLPVCMMIWPEJ-JTQLQIEISA-N -1 1 291.351 1.164 20 0 CDADMM COCc1nc(N(Cc2ccccn2)C2CC2)cc(=O)[n-]1 ZINC000891581414 617488081 /nfs/dbraw/zinc/48/80/81/617488081.db2.gz ZDSBWYPSSWVLOQ-UHFFFAOYSA-N -1 1 286.335 1.893 20 0 CDADMM CCCN1CC(N(CC)C(=O)c2ncccc2[O-])C1 ZINC000949951771 614602652 /nfs/dbraw/zinc/60/26/52/614602652.db2.gz AJEJJQBMVCQPLH-UHFFFAOYSA-N -1 1 263.341 1.344 20 0 CDADMM Cc1cnc(C(=O)NC[C@@H]2CC3(CCC3)CO2)c([O-])c1 ZINC000924115524 617495453 /nfs/dbraw/zinc/49/54/53/617495453.db2.gz APJSCJCGNFEHLR-NSHDSACASA-N -1 1 276.336 1.785 20 0 CDADMM CCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000959295843 614765573 /nfs/dbraw/zinc/76/55/73/614765573.db2.gz ZIYLSBFGVOSHIT-MNOVXSKESA-N -1 1 291.351 1.022 20 0 CDADMM CC1(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)COC1 ZINC000891618913 617507703 /nfs/dbraw/zinc/50/77/03/617507703.db2.gz VDANFGUMTMMZQD-UHFFFAOYSA-N -1 1 263.297 1.036 20 0 CDADMM CC[C@@H]1CC[C@@H](C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)O1 ZINC000891622030 617510405 /nfs/dbraw/zinc/51/04/05/617510405.db2.gz MHJSPBIGSPROBH-SKDRFNHKSA-N -1 1 291.351 1.957 20 0 CDADMM C[N-]S(=O)(=O)c1ccc(C(=O)OC[C@@H]2CC23CCC3)o1 ZINC000893470877 617961810 /nfs/dbraw/zinc/96/18/10/617961810.db2.gz YPLYPXVNKOITGG-VIFPVBQESA-N -1 1 299.348 1.535 20 0 CDADMM COCc1nc(N[C@@H](CO)c2ccccc2C)cc(=O)[n-]1 ZINC000892770699 617730067 /nfs/dbraw/zinc/73/00/67/617730067.db2.gz AEHLPSUYJTYCRV-LBPRGKRZSA-N -1 1 289.335 1.783 20 0 CDADMM COCc1nc(NCCC(=O)NC(C)(C)C)cc(=O)[n-]1 ZINC000892308157 617739863 /nfs/dbraw/zinc/73/98/63/617739863.db2.gz SVYJQZQDRFJEKY-UHFFFAOYSA-N -1 1 282.344 1.045 20 0 CDADMM COCc1nc(N[C@H](C)C[C@@H]2CCOC2)cc(=O)[n-]1 ZINC000892910498 617892209 /nfs/dbraw/zinc/89/22/09/617892209.db2.gz DDPXTIZPVBDHMT-ZJUUUORDSA-N -1 1 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UGRJNUYJUZMQJM-UHFFFAOYSA-N -1 1 295.368 1.425 20 0 CDADMM CO[C@H](Cn1cc(-c2nn[n-]n2)ccc1=O)C1CCCC1 ZINC001605012382 1163416109 /nfs/dbraw/zinc/41/61/09/1163416109.db2.gz MUANCPHXRZDURC-GFCCVEGCSA-N -1 1 289.339 1.234 20 0 CDADMM C[C@@H]1[C@H](O)CCN1c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001605431690 1163561996 /nfs/dbraw/zinc/56/19/96/1163561996.db2.gz AKKAUUWHZWAXDC-YMTOWFKASA-N -1 1 296.334 1.374 20 0 CDADMM C[C@@H]1[C@H](O)CCN1c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001605431690 1163562001 /nfs/dbraw/zinc/56/20/01/1163562001.db2.gz AKKAUUWHZWAXDC-YMTOWFKASA-N -1 1 296.334 1.374 20 0 CDADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1cnccn1 ZINC001605441819 1163565681 /nfs/dbraw/zinc/56/56/81/1163565681.db2.gz IEIHIQJIIBTLBS-QMMMGPOBSA-N -1 1 268.284 1.225 20 0 CDADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1cnccn1 ZINC001605441819 1163565687 /nfs/dbraw/zinc/56/56/87/1163565687.db2.gz IEIHIQJIIBTLBS-QMMMGPOBSA-N -1 1 268.284 1.225 20 0 CDADMM Cc1cc(N[C@@H](C)C2CCOCC2)nc(-c2nnn[n-]2)c1 ZINC001605720018 1163650183 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ZINC001605859201 1163692678 /nfs/dbraw/zinc/69/26/78/1163692678.db2.gz OVMCHVCYQLBZNV-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1ccc(COC(=O)c2cccc(-c3nn[n-]n3)n2)o1 ZINC001605859201 1163692681 /nfs/dbraw/zinc/69/26/81/1163692681.db2.gz OVMCHVCYQLBZNV-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1cnc(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)o1 ZINC001605979075 1163734017 /nfs/dbraw/zinc/73/40/17/1163734017.db2.gz HHSGIMQOJTUPNV-UHFFFAOYSA-N -1 1 298.310 1.443 20 0 CDADMM Cc1cnc(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)o1 ZINC001605979075 1163734021 /nfs/dbraw/zinc/73/40/21/1163734021.db2.gz HHSGIMQOJTUPNV-UHFFFAOYSA-N -1 1 298.310 1.443 20 0 CDADMM Cc1[nH]nc(NC(=O)C[C@H]2CC=CCC2)c1-c1nn[n-]n1 ZINC001606013458 1163744898 /nfs/dbraw/zinc/74/48/98/1163744898.db2.gz QOTFYLQMHCVWBF-VIFPVBQESA-N -1 1 287.327 1.583 20 0 CDADMM Cc1nc(NCCCC(F)F)cc(-c2nn[n-]n2)n1 ZINC001606072565 1163763719 /nfs/dbraw/zinc/76/37/19/1163763719.db2.gz ZNXVKWBRFYYOFP-UHFFFAOYSA-N -1 1 269.259 1.422 20 0 CDADMM Cc1nc(N[C@@H]2C[C@@H]2c2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001606063140 1163761434 /nfs/dbraw/zinc/76/14/34/1163761434.db2.gz JWAMDAMOBUMJNN-VXGBXAGGSA-N -1 1 293.334 1.933 20 0 CDADMM Cc1nc(N[C@@H]2C[C@@H]2c2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001606063140 1163761438 /nfs/dbraw/zinc/76/14/38/1163761438.db2.gz JWAMDAMOBUMJNN-VXGBXAGGSA-N -1 1 293.334 1.933 20 0 CDADMM Cc1nc(NCCCC(F)F)cc(-c2nnn[n-]2)n1 ZINC001606072565 1163763714 /nfs/dbraw/zinc/76/37/14/1163763714.db2.gz ZNXVKWBRFYYOFP-UHFFFAOYSA-N -1 1 269.259 1.422 20 0 CDADMM Cc1nc(SCc2ccccn2)cc(-c2nnn[n-]2)n1 ZINC001606078803 1163766874 /nfs/dbraw/zinc/76/68/74/1163766874.db2.gz FHAIJEPDSBYXDD-UHFFFAOYSA-N -1 1 285.336 1.652 20 0 CDADMM Cc1nc(SCc2ccccn2)cc(-c2nn[n-]n2)n1 ZINC001606078803 1163766880 /nfs/dbraw/zinc/76/68/80/1163766880.db2.gz FHAIJEPDSBYXDD-UHFFFAOYSA-N -1 1 285.336 1.652 20 0 CDADMM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccc(CN)o1 ZINC001606150654 1163788935 /nfs/dbraw/zinc/78/89/35/1163788935.db2.gz KAKMJMMEQBVHOG-UHFFFAOYSA-N -1 1 288.303 1.709 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@H](C)[C@H](C)[C@H]1C ZINC001606166068 1163794571 /nfs/dbraw/zinc/79/45/71/1163794571.db2.gz NEZLQBZVFKXDJA-XHNCKOQMSA-N -1 1 289.339 1.885 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@H](C)[C@H](C)[C@H]1C ZINC001606166068 1163794578 /nfs/dbraw/zinc/79/45/78/1163794578.db2.gz NEZLQBZVFKXDJA-XHNCKOQMSA-N -1 1 289.339 1.885 20 0 CDADMM FC1(F)CC2(CN(Cc3nc(-c4nnn[n-]4)cs3)C2)C1 ZINC001606299617 1163843698 /nfs/dbraw/zinc/84/36/98/1163843698.db2.gz AWXUPUAMLBTNMA-UHFFFAOYSA-N -1 1 298.322 1.554 20 0 CDADMM FC1(F)CC2(CN(Cc3nc(-c4nn[n-]n4)cs3)C2)C1 ZINC001606299617 1163843704 /nfs/dbraw/zinc/84/37/04/1163843704.db2.gz AWXUPUAMLBTNMA-UHFFFAOYSA-N -1 1 298.322 1.554 20 0 CDADMM FC1(F)CCC[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001606299760 1163846821 /nfs/dbraw/zinc/84/68/21/1163846821.db2.gz KQVQORCXDXMKRF-SSDOTTSWSA-N -1 1 281.270 1.647 20 0 CDADMM FC1(F)CCC[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001606299760 1163846824 /nfs/dbraw/zinc/84/68/24/1163846824.db2.gz KQVQORCXDXMKRF-SSDOTTSWSA-N -1 1 281.270 1.647 20 0 CDADMM Fc1cc(F)cc(Oc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001606312674 1163854073 /nfs/dbraw/zinc/85/40/73/1163854073.db2.gz YROKCFTXLMZVAY-UHFFFAOYSA-N -1 1 276.206 1.727 20 0 CDADMM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1CCC1CC1 ZINC001606373283 1163881120 /nfs/dbraw/zinc/88/11/20/1163881120.db2.gz JZHANSDDAUTIFJ-GHMZBOCLSA-N -1 1 255.314 1.125 20 0 CDADMM CO[C@@H](Cc1ccccc1)CN1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001606684707 1163961628 /nfs/dbraw/zinc/96/16/28/1163961628.db2.gz BIQBMEJDTIKBAN-QEJZJMRPSA-N -1 1 293.363 1.418 20 0 CDADMM O=C(NCc1cccc(F)c1)c1ccc(-c2nnn[n-]2)o1 ZINC001606838822 1164010817 /nfs/dbraw/zinc/01/08/17/1164010817.db2.gz NKPKJHAWBBCGLX-UHFFFAOYSA-N -1 1 287.254 1.529 20 0 CDADMM O=C(NCc1cccc(F)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001606838822 1164010820 /nfs/dbraw/zinc/01/08/20/1164010820.db2.gz NKPKJHAWBBCGLX-UHFFFAOYSA-N -1 1 287.254 1.529 20 0 CDADMM O=C(OCCc1ccoc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606971540 1164043278 /nfs/dbraw/zinc/04/32/78/1164043278.db2.gz AAZWCCSTBMIBHP-UHFFFAOYSA-N -1 1 285.263 1.254 20 0 CDADMM O=C(OCCc1ccoc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606971540 1164043285 /nfs/dbraw/zinc/04/32/85/1164043285.db2.gz AAZWCCSTBMIBHP-UHFFFAOYSA-N -1 1 285.263 1.254 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H]1C1CCCC1 ZINC001607017599 1164061088 /nfs/dbraw/zinc/06/10/88/1164061088.db2.gz YPINLBMRZNPYNX-CYBMUJFWSA-N -1 1 298.350 1.666 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H]1C1CCCC1 ZINC001607017599 1164061091 /nfs/dbraw/zinc/06/10/91/1164061091.db2.gz YPINLBMRZNPYNX-CYBMUJFWSA-N -1 1 298.350 1.666 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@H]2C[C@H]21 ZINC001607016691 1164061616 /nfs/dbraw/zinc/06/16/16/1164061616.db2.gz DRGXSVJDKHHJHL-JGVFFNPUSA-N -1 1 259.269 1.084 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@H]2C[C@H]21 ZINC001607016691 1164061622 /nfs/dbraw/zinc/06/16/22/1164061622.db2.gz DRGXSVJDKHHJHL-JGVFFNPUSA-N -1 1 259.269 1.084 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N(C1CCC1)C1CCC1 ZINC001607025164 1164062715 /nfs/dbraw/zinc/06/27/15/1164062715.db2.gz BPLAVIUGPAJGHJ-UHFFFAOYSA-N -1 1 298.350 1.809 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N(C1CCC1)C1CCC1 ZINC001607025164 1164062718 /nfs/dbraw/zinc/06/27/18/1164062718.db2.gz BPLAVIUGPAJGHJ-UHFFFAOYSA-N -1 1 298.350 1.809 20 0 CDADMM OC1(CNc2cccnc2-c2nnn[n-]2)CCCCC1 ZINC001607099382 1164081051 /nfs/dbraw/zinc/08/10/51/1164081051.db2.gz KIRZBQQZAWLJIG-UHFFFAOYSA-N -1 1 274.328 1.369 20 0 CDADMM OC1(CNc2cccnc2-c2nn[n-]n2)CCCCC1 ZINC001607099382 1164081060 /nfs/dbraw/zinc/08/10/60/1164081060.db2.gz KIRZBQQZAWLJIG-UHFFFAOYSA-N -1 1 274.328 1.369 20 0 CDADMM O[C@H]1CCCC[C@H]1CCNc1cc(-c2nnn[n-]2)ncn1 ZINC001607109207 1164089481 /nfs/dbraw/zinc/08/94/81/1164089481.db2.gz BPALYXSXHFSRCF-ONGXEEELSA-N -1 1 289.343 1.010 20 0 CDADMM O[C@H]1CCCC[C@H]1CCNc1cc(-c2nn[n-]n2)ncn1 ZINC001607109207 1164089489 /nfs/dbraw/zinc/08/94/89/1164089489.db2.gz BPALYXSXHFSRCF-ONGXEEELSA-N -1 1 289.343 1.010 20 0 CDADMM c1cc([C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)n[nH]1 ZINC001607117833 1164098658 /nfs/dbraw/zinc/09/86/58/1164098658.db2.gz IMWNXXICHAMION-NSHDSACASA-N -1 1 297.326 1.111 20 0 CDADMM c1cc([C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)n[nH]1 ZINC001607117833 1164098664 /nfs/dbraw/zinc/09/86/64/1164098664.db2.gz IMWNXXICHAMION-NSHDSACASA-N -1 1 297.326 1.111 20 0 CDADMM c1nc(NC[C@@H]2CC3(CCC3)CO2)cc(-c2nnn[n-]2)n1 ZINC001607137362 1164116550 /nfs/dbraw/zinc/11/65/50/1164116550.db2.gz QSJHCSCSRATOQB-VIFPVBQESA-N -1 1 287.327 1.028 20 0 CDADMM c1nc(NC[C@@H]2CC3(CCC3)CO2)cc(-c2nn[n-]n2)n1 ZINC001607137362 1164116553 /nfs/dbraw/zinc/11/65/53/1164116553.db2.gz QSJHCSCSRATOQB-VIFPVBQESA-N -1 1 287.327 1.028 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CC3C[C@@H]4CC2C[C@H](C3)C4)n1 ZINC001607136635 1164117248 /nfs/dbraw/zinc/11/72/48/1164117248.db2.gz MVAKXUCSNOABPU-ZYANWLCNSA-N -1 1 297.366 1.672 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CC3C[C@@H]4CC2C[C@H](C3)C4)n1 ZINC001607136635 1164117251 /nfs/dbraw/zinc/11/72/51/1164117251.db2.gz MVAKXUCSNOABPU-ZYANWLCNSA-N -1 1 297.366 1.672 20 0 CDADMM COc1ccc(CN2CCSC[C@H]2CC(=O)[O-])o1 ZINC001607252074 1164136864 /nfs/dbraw/zinc/13/68/64/1164136864.db2.gz KHEGZWFTVVIAHG-SECBINFHSA-N -1 1 271.338 1.680 20 0 CDADMM Cc1cnc(C(=O)N2CCc3c2cccc3C(=O)[O-])c(O)c1 ZINC001607903371 1164330617 /nfs/dbraw/zinc/33/06/17/1164330617.db2.gz QLWOUVGJFWXQPR-UHFFFAOYSA-N -1 1 298.298 1.997 20 0 CDADMM Cc1n[nH]nc1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001607940319 1164346441 /nfs/dbraw/zinc/34/64/41/1164346441.db2.gz COAIUYHNGMZVGI-UHFFFAOYSA-N -1 1 280.328 1.268 20 0 CDADMM Cc1oc(C(=O)[O-])cc1C(=O)NC(C)(C)c1c[nH]nn1 ZINC001608033846 1164388040 /nfs/dbraw/zinc/38/80/40/1164388040.db2.gz FZQRDPBLUVCGKP-UHFFFAOYSA-N -1 1 278.268 1.069 20 0 CDADMM O=C([O-])[C@@H](OC(=O)Cc1[nH]nc2ccccc21)C1CC1 ZINC001608372736 1164500559 /nfs/dbraw/zinc/50/05/59/1164500559.db2.gz YLFAVEBPBLFKAR-ZDUSSCGKSA-N -1 1 274.276 1.512 20 0 CDADMM O=C([O-])[C@@H](NC(=O)c1cccc2nc[nH]c21)c1ccccn1 ZINC001608387327 1164503817 /nfs/dbraw/zinc/50/38/17/1164503817.db2.gz CEEFCWVCYLQKFI-ZDUSSCGKSA-N -1 1 296.286 1.514 20 0 CDADMM O=C([O-])c1ccc(CNC(=O)c2ccc3cncn3c2)o1 ZINC001608467414 1164522896 /nfs/dbraw/zinc/52/28/96/1164522896.db2.gz UEXFZMADIDCBAJ-UHFFFAOYSA-N -1 1 285.259 1.556 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)c3cnco3)[nH]c21 ZINC001608525585 1164532895 /nfs/dbraw/zinc/53/28/95/1164532895.db2.gz BLJHGCPWOIOREK-UHFFFAOYSA-N -1 1 272.220 1.501 20 0 CDADMM O=C([O-])[C@H](N[C@@H]1CCCn2nccc21)c1cccnc1 ZINC001608546016 1164540179 /nfs/dbraw/zinc/54/01/79/1164540179.db2.gz HHNHKJMKIMOBLD-DGCLKSJQSA-N -1 1 272.308 1.529 20 0 CDADMM O=C([O-])C1(C(=O)OC[C@@H]2CCCN2Cc2ccco2)CC1 ZINC001608567019 1164549526 /nfs/dbraw/zinc/54/95/26/1164549526.db2.gz IBHJBNLEBGVXFG-NSHDSACASA-N -1 1 293.319 1.652 20 0 CDADMM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)[C@H]3CCCN3C3CC3)[C@@H]2C1 ZINC001608651239 1164591390 /nfs/dbraw/zinc/59/13/90/1164591390.db2.gz PQVVWYOBOCNGJC-GPXIKIIXSA-N -1 1 292.379 1.229 20 0 CDADMM O=C([O-])C[C@@H]1COCCN1Cc1cccc2c1CCOC2 ZINC001608702236 1164611908 /nfs/dbraw/zinc/61/19/08/1164611908.db2.gz GDQTUEDFXUZWJS-CQSZACIVSA-N -1 1 291.347 1.435 20 0 CDADMM O=C([O-])c1ccc(C(=O)N2CCN3CCC2CC3)c(F)c1 ZINC001608872940 1164668238 /nfs/dbraw/zinc/66/82/38/1164668238.db2.gz AMLJEOBZCLMFRA-UHFFFAOYSA-N -1 1 292.310 1.444 20 0 CDADMM C(=Cc1ccccc1)CNc1n[nH]cc1-c1nnn[n-]1 ZINC001609021945 1164728962 /nfs/dbraw/zinc/72/89/62/1164728962.db2.gz NGUPVCSVWMCVDI-QPJJXVBHSA-N -1 1 267.296 1.715 20 0 CDADMM C(=Cc1ccccc1)CNc1n[nH]cc1-c1nn[n-]n1 ZINC001609021945 1164728968 /nfs/dbraw/zinc/72/89/68/1164728968.db2.gz NGUPVCSVWMCVDI-QPJJXVBHSA-N -1 1 267.296 1.715 20 0 CDADMM CC(C)=CCn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001609086186 1164762797 /nfs/dbraw/zinc/76/27/97/1164762797.db2.gz PEAQSEQKGXFLOE-UHFFFAOYSA-N -1 1 271.324 1.483 20 0 CDADMM CC(C)[C@@H](C)CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609087481 1164763162 /nfs/dbraw/zinc/76/31/62/1164763162.db2.gz YBMYGACCEBBJPZ-VIFPVBQESA-N -1 1 274.328 1.284 20 0 CDADMM CC(C)[C@@H](C)CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609087481 1164763167 /nfs/dbraw/zinc/76/31/67/1164763167.db2.gz YBMYGACCEBBJPZ-VIFPVBQESA-N -1 1 274.328 1.284 20 0 CDADMM CC(C)[C@@]1(CO)CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001609090706 1164765468 /nfs/dbraw/zinc/76/54/68/1164765468.db2.gz CITJKDDEKWWSEH-AWEZNQCLSA-N -1 1 288.355 1.107 20 0 CDADMM CC(C)[C@@]1(CO)CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001609090706 1164765473 /nfs/dbraw/zinc/76/54/73/1164765473.db2.gz CITJKDDEKWWSEH-AWEZNQCLSA-N -1 1 288.355 1.107 20 0 CDADMM CC(C)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001609098119 1164769824 /nfs/dbraw/zinc/76/98/24/1164769824.db2.gz QXNSWQDHELKMJH-UHFFFAOYSA-N -1 1 258.738 1.821 20 0 CDADMM CC(C)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609098119 1164769830 /nfs/dbraw/zinc/76/98/30/1164769830.db2.gz QXNSWQDHELKMJH-UHFFFAOYSA-N -1 1 258.738 1.821 20 0 CDADMM CC(C)C[C@@H]1C[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609097477 1164770536 /nfs/dbraw/zinc/77/05/36/1164770536.db2.gz FNJJFUIFRIFGKV-BXKDBHETSA-N -1 1 286.339 1.426 20 0 CDADMM CC(C)C[C@@H]1C[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609097477 1164770541 /nfs/dbraw/zinc/77/05/41/1164770541.db2.gz FNJJFUIFRIFGKV-BXKDBHETSA-N -1 1 286.339 1.426 20 0 CDADMM CC1(C)SC[C@H]1Nc1cccnc1-c1nnn[n-]1 ZINC001609147880 1164795749 /nfs/dbraw/zinc/79/57/49/1164795749.db2.gz RPXVRIAQWIKMCO-MRVPVSSYSA-N -1 1 262.342 1.568 20 0 CDADMM CC1(C)SC[C@H]1Nc1cccnc1-c1nn[n-]n1 ZINC001609147880 1164795753 /nfs/dbraw/zinc/79/57/53/1164795753.db2.gz RPXVRIAQWIKMCO-MRVPVSSYSA-N -1 1 262.342 1.568 20 0 CDADMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1c1cncc(-c2nnn[n-]2)n1 ZINC001609159707 1164804664 /nfs/dbraw/zinc/80/46/64/1164804664.db2.gz SFINTGAVEWKEOP-FOGDFJRCSA-N -1 1 285.355 1.814 20 0 CDADMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1c1cncc(-c2nn[n-]n2)n1 ZINC001609159707 1164804673 /nfs/dbraw/zinc/80/46/73/1164804673.db2.gz SFINTGAVEWKEOP-FOGDFJRCSA-N -1 1 285.355 1.814 20 0 CDADMM C[C@H]1C[C@H](COc2ccc(F)nc2-c2nnn[n-]2)CCO1 ZINC001609157810 1164806625 /nfs/dbraw/zinc/80/66/25/1164806625.db2.gz VZTYLXMUWGXBSN-DTWKUNHWSA-N -1 1 293.302 1.595 20 0 CDADMM C[C@H]1C[C@H](COc2ccc(F)nc2-c2nn[n-]n2)CCO1 ZINC001609157810 1164806635 /nfs/dbraw/zinc/80/66/35/1164806635.db2.gz VZTYLXMUWGXBSN-DTWKUNHWSA-N -1 1 293.302 1.595 20 0 CDADMM C[C@@H]1[C@H](C)CN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@H]1C ZINC001609172119 1164815073 /nfs/dbraw/zinc/81/50/73/1164815073.db2.gz OIWDDMXFIRWOFP-BBBLOLIVSA-N -1 1 286.339 1.378 20 0 CDADMM C[C@@H]1[C@H](C)CN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@H]1C ZINC001609172119 1164815081 /nfs/dbraw/zinc/81/50/81/1164815081.db2.gz OIWDDMXFIRWOFP-BBBLOLIVSA-N -1 1 286.339 1.378 20 0 CDADMM CC[C@H](Nc1cccc(-c2nnn[n-]2)n1)[C@H](O)C(C)C ZINC001609195044 1164835424 /nfs/dbraw/zinc/83/54/24/1164835424.db2.gz WBZPXIPITMOZBF-JOYOIKCWSA-N -1 1 276.344 1.469 20 0 CDADMM CC[C@H](Nc1cccc(-c2nn[n-]n2)n1)[C@H](O)C(C)C ZINC001609195044 1164835426 /nfs/dbraw/zinc/83/54/26/1164835426.db2.gz WBZPXIPITMOZBF-JOYOIKCWSA-N -1 1 276.344 1.469 20 0 CDADMM CC[C@H]1CN(c2cccnc2-c2nnn[n-]2)C[C@H](CC)O1 ZINC001609202200 1164842878 /nfs/dbraw/zinc/84/28/78/1164842878.db2.gz BUZOUZTYSAJKSY-QWRGUYRKSA-N -1 1 288.355 1.656 20 0 CDADMM CC[C@H]1CN(c2cccnc2-c2nn[n-]n2)C[C@H](CC)O1 ZINC001609202200 1164842883 /nfs/dbraw/zinc/84/28/83/1164842883.db2.gz BUZOUZTYSAJKSY-QWRGUYRKSA-N -1 1 288.355 1.656 20 0 CDADMM CCC[C@@H](C)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609204401 1164844346 /nfs/dbraw/zinc/84/43/46/1164844346.db2.gz CEWBVIXLKSUZNI-MRVPVSSYSA-N -1 1 299.356 1.269 20 0 CDADMM CCc1nc(CNc2cccnc2-c2nnn[n-]2)cs1 ZINC001609255013 1164866588 /nfs/dbraw/zinc/86/65/88/1164866588.db2.gz RFMKVARTNJKSIN-UHFFFAOYSA-N -1 1 287.352 1.893 20 0 CDADMM CCc1nc(CNc2cccnc2-c2nn[n-]n2)cs1 ZINC001609255013 1164866595 /nfs/dbraw/zinc/86/65/95/1164866595.db2.gz RFMKVARTNJKSIN-UHFFFAOYSA-N -1 1 287.352 1.893 20 0 CDADMM CN(C[C@@H]1CCCC[C@@H]1O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609274087 1164876370 /nfs/dbraw/zinc/87/63/70/1164876370.db2.gz SAMZOIZCYAAPIF-GWCFXTLKSA-N -1 1 288.355 1.249 20 0 CDADMM CN(C[C@@H]1CCCC[C@@H]1O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609274087 1164876376 /nfs/dbraw/zinc/87/63/76/1164876376.db2.gz SAMZOIZCYAAPIF-GWCFXTLKSA-N -1 1 288.355 1.249 20 0 CDADMM CO[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001609314541 1164895162 /nfs/dbraw/zinc/89/51/62/1164895162.db2.gz NHPKYGUQUPPJQO-QMMMGPOBSA-N -1 1 280.357 1.247 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCC(C)(C)C2)n1 ZINC001609391440 1164923811 /nfs/dbraw/zinc/92/38/11/1164923811.db2.gz JKWJQLZLIPAKIC-SNVBAGLBSA-N -1 1 287.371 1.980 20 0 CDADMM Cc1cc(N2CCCO[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001609405768 1164930912 /nfs/dbraw/zinc/93/09/12/1164930912.db2.gz XMOHWYBDLWWVBY-JTQLQIEISA-N -1 1 274.328 1.185 20 0 CDADMM Cc1cc(N2CCCO[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001609405768 1164930918 /nfs/dbraw/zinc/93/09/18/1164930918.db2.gz XMOHWYBDLWWVBY-JTQLQIEISA-N -1 1 274.328 1.185 20 0 CDADMM Cc1ccc(N[C@@H](C)C[C@@H]2CCOC2)nc1-c1nnn[n-]1 ZINC001609426576 1164943815 /nfs/dbraw/zinc/94/38/15/1164943815.db2.gz AHKVBIMNQIXROM-QWRGUYRKSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(N[C@@H](C)C[C@@H]2CCOC2)nc1-c1nn[n-]n1 ZINC001609426576 1164943823 /nfs/dbraw/zinc/94/38/23/1164943823.db2.gz AHKVBIMNQIXROM-QWRGUYRKSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(N[C@@H](CCO)C2CC2)nc1-c1nnn[n-]1 ZINC001609426260 1164944250 /nfs/dbraw/zinc/94/42/50/1164944250.db2.gz KRCXHBNJRCBVMV-JTQLQIEISA-N -1 1 274.328 1.143 20 0 CDADMM Cc1ccc(N[C@@H](CCO)C2CC2)nc1-c1nn[n-]n1 ZINC001609426260 1164944254 /nfs/dbraw/zinc/94/42/54/1164944254.db2.gz KRCXHBNJRCBVMV-JTQLQIEISA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cncc(-c2noc(-c3ccc(-c4nnn[n-]4)o3)n2)c1 ZINC001609441140 1164947982 /nfs/dbraw/zinc/94/79/82/1164947982.db2.gz YXVDJQAETHCCJO-UHFFFAOYSA-N -1 1 295.262 1.880 20 0 CDADMM Cc1cncc(-c2noc(-c3ccc(-c4nn[n-]n4)o3)n2)c1 ZINC001609441140 1164947988 /nfs/dbraw/zinc/94/79/88/1164947988.db2.gz YXVDJQAETHCCJO-UHFFFAOYSA-N -1 1 295.262 1.880 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCC(F)(F)F ZINC001609467602 1164963819 /nfs/dbraw/zinc/96/38/19/1164963819.db2.gz MXHANZPFAKWASV-UHFFFAOYSA-N -1 1 289.217 1.450 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCC(F)(F)F ZINC001609467602 1164963827 /nfs/dbraw/zinc/96/38/27/1164963827.db2.gz MXHANZPFAKWASV-UHFFFAOYSA-N -1 1 289.217 1.450 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCS[C@H]1C ZINC001609467760 1164964495 /nfs/dbraw/zinc/96/44/95/1164964495.db2.gz SHEPUDRMTFXPPA-IONNQARKSA-N -1 1 293.352 1.392 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCS[C@H]1C ZINC001609467760 1164964504 /nfs/dbraw/zinc/96/45/04/1164964504.db2.gz SHEPUDRMTFXPPA-IONNQARKSA-N -1 1 293.352 1.392 20 0 CDADMM c1ccc2c(c1)OC[C@@H]2CNc1cccc(-c2nnn[n-]2)n1 ZINC001609614569 1165010218 /nfs/dbraw/zinc/01/02/18/1165010218.db2.gz APZKSRMKPAMWDS-JTQLQIEISA-N -1 1 294.318 1.850 20 0 CDADMM c1ccc2c(c1)OC[C@@H]2CNc1cccc(-c2nn[n-]n2)n1 ZINC001609614569 1165010225 /nfs/dbraw/zinc/01/02/25/1165010225.db2.gz APZKSRMKPAMWDS-JTQLQIEISA-N -1 1 294.318 1.850 20 0 CDADMM c1ccc(C[C@H]2C[C@H]2Nc2ncncc2-c2nn[n-]n2)cc1 ZINC001609617177 1165013415 /nfs/dbraw/zinc/01/34/15/1165013415.db2.gz YYVSBIBBKKOLJP-WCQYABFASA-N -1 1 293.334 1.700 20 0 CDADMM c1ccc2c(c1)SC[C@H]2Nc1ccnc(-c2nnn[n-]2)c1 ZINC001609618857 1165014869 /nfs/dbraw/zinc/01/48/69/1165014869.db2.gz UBPWVBGBLWBGME-GFCCVEGCSA-N -1 1 296.359 1.943 20 0 CDADMM c1ccc2c(c1)SC[C@H]2Nc1ccnc(-c2nn[n-]n2)c1 ZINC001609618857 1165014874 /nfs/dbraw/zinc/01/48/74/1165014874.db2.gz UBPWVBGBLWBGME-GFCCVEGCSA-N -1 1 296.359 1.943 20 0 CDADMM c1ccc2c(c1)SC[C@H]2Nc1cc(-c2nnn[n-]2)ncn1 ZINC001609618800 1165015104 /nfs/dbraw/zinc/01/51/04/1165015104.db2.gz OUXHANSJSJXLAI-SNVBAGLBSA-N -1 1 297.347 1.916 20 0 CDADMM c1ccc2c(c1)SC[C@H]2Nc1cc(-c2nn[n-]n2)ncn1 ZINC001609618800 1165015111 /nfs/dbraw/zinc/01/51/11/1165015111.db2.gz OUXHANSJSJXLAI-SNVBAGLBSA-N -1 1 297.347 1.916 20 0 CDADMM C[C@@H](C(=O)[O-])N(Cc1ccc(CO)o1)C1CCC1 ZINC001609641273 1165024880 /nfs/dbraw/zinc/02/48/80/1165024880.db2.gz BRHVSSOMVBWUAH-VIFPVBQESA-N -1 1 253.298 1.600 20 0 CDADMM CCC/C=C\C(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F ZINC000869350735 1165054182 /nfs/dbraw/zinc/05/41/82/1165054182.db2.gz KZAOVDSOMJNSNJ-PLNGDYQASA-N -1 1 295.257 1.524 20 0 CDADMM Cn1cnnc1C1CCN(Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC001610612048 1165378256 /nfs/dbraw/zinc/37/82/56/1165378256.db2.gz OUNCNGNYVNTSGC-UHFFFAOYSA-N -1 1 289.339 1.221 20 0 CDADMM Nc1n[nH]c(C2CCN(Cc3ccc(C(=O)[O-])o3)CC2)n1 ZINC001610648769 1165394199 /nfs/dbraw/zinc/39/41/99/1165394199.db2.gz LGPBWFQLRRJCGX-UHFFFAOYSA-N -1 1 291.311 1.058 20 0 CDADMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)OCc1nn[n-]n1 ZINC001649225519 1166137238 /nfs/dbraw/zinc/13/72/38/1166137238.db2.gz FTUUBWPDNQBYGL-GRYCIOLGSA-N -1 1 296.371 1.720 20 0 CDADMM Cc1cnc(Cl)c(C(=O)[N-]N2CCCC2=O)c1 ZINC000879365925 1166341422 /nfs/dbraw/zinc/34/14/22/1166341422.db2.gz NSBAVUYKPIRFQD-UHFFFAOYSA-N -1 1 253.689 1.311 20 0 CDADMM COCCN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000095188765 1166606552 /nfs/dbraw/zinc/60/65/52/1166606552.db2.gz BDRPRCPSMMMEFC-UHFFFAOYSA-N -1 1 274.737 1.059 20 0 CDADMM COCCN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000095188765 1166606556 /nfs/dbraw/zinc/60/65/56/1166606556.db2.gz BDRPRCPSMMMEFC-UHFFFAOYSA-N -1 1 274.737 1.059 20 0 CDADMM COC(=O)CSc1cccc(F)c1-c1nn[n-]n1 ZINC000095190184 1166607401 /nfs/dbraw/zinc/60/74/01/1166607401.db2.gz SYLYHDDWIBFWSP-UHFFFAOYSA-N -1 1 268.273 1.271 20 0 CDADMM Cn1[n-]c(C(=O)Nc2nc3ccc(Cl)cc3[nH]2)cc1=O ZINC001637465875 1166759173 /nfs/dbraw/zinc/75/91/73/1166759173.db2.gz KIDQQVACCVLOJU-UHFFFAOYSA-N -1 1 291.698 1.908 20 0 CDADMM O=C(CCCc1nc2ccccc2[nH]1)Nc1c[n-][nH]c1=O ZINC001638735304 1166867062 /nfs/dbraw/zinc/86/70/62/1166867062.db2.gz BYMIUSKRRZJRJF-UHFFFAOYSA-N -1 1 285.307 1.953 20 0 CDADMM Cn1ccc2ccc(C(=O)NCc3nc([O-])cc(=O)[nH]3)cc21 ZINC001642460129 1167176397 /nfs/dbraw/zinc/17/63/97/1167176397.db2.gz LQPPMYXEZYFIEF-UHFFFAOYSA-N -1 1 298.302 1.310 20 0 CDADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@@]1(F)CCOC1 ZINC001647323188 1168560489 /nfs/dbraw/zinc/56/04/89/1168560489.db2.gz JTPCYEOFIYSIBZ-CQSZACIVSA-N -1 1 291.282 1.645 20 0 CDADMM O=C([O-])C[C@@H]1CN(CCC2SCCS2)CCO1 ZINC001647549162 1168807995 /nfs/dbraw/zinc/80/79/95/1168807995.db2.gz XUAQPJBGKJDEIL-SECBINFHSA-N -1 1 277.411 1.358 20 0 CDADMM C[C@@H](C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1)C(C)(F)F ZINC001650029177 1169628713 /nfs/dbraw/zinc/62/87/13/1169628713.db2.gz SLWXGRNZIGQXLE-WCBMZHEXSA-N -1 1 295.293 1.697 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)Cc1c[nH]c2cnccc12 ZINC001569836063 1170012714 /nfs/dbraw/zinc/01/27/14/1170012714.db2.gz MANDWRLADQWCFM-UHFFFAOYSA-N -1 1 271.280 1.481 20 0 CDADMM C[C@H](C(=O)[O-])C1CN(Cc2cc(-c3ccccn3)n[nH]2)C1 ZINC001573407878 1170659243 /nfs/dbraw/zinc/65/92/43/1170659243.db2.gz QULQKQSOYVNTNU-JTQLQIEISA-N -1 1 286.335 1.624 20 0 CDADMM O=C([O-])c1cnn2cc(CN3CC(C4CC4)C3)cnc12 ZINC001574416948 1170977239 /nfs/dbraw/zinc/97/72/39/1170977239.db2.gz DTOLTNACZAWTEM-UHFFFAOYSA-N -1 1 272.308 1.269 20 0 CDADMM C[C@@H](C(=O)N1CC[C@H](c2nn[n-]n2)C1)c1cccc(O)c1 ZINC001650582431 1171205938 /nfs/dbraw/zinc/20/59/38/1171205938.db2.gz MCICOWMDNUNTPF-KOLCDFICSA-N -1 1 287.323 1.025 20 0 CDADMM CCc1cccnc1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001578545181 1171950018 /nfs/dbraw/zinc/95/00/18/1171950018.db2.gz JRPRNUJQNTUWRY-UHFFFAOYSA-N -1 1 284.279 1.669 20 0 CDADMM CCc1cccnc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001578545181 1171950025 /nfs/dbraw/zinc/95/00/25/1171950025.db2.gz JRPRNUJQNTUWRY-UHFFFAOYSA-N -1 1 284.279 1.669 20 0 CDADMM Nc1cnc(C(=O)NCc2ccc([O-])c(Cl)c2)cn1 ZINC001580464370 1172444317 /nfs/dbraw/zinc/44/43/17/1172444317.db2.gz APMJMXLRZBQWLW-UHFFFAOYSA-N -1 1 278.699 1.348 20 0 CDADMM Cc1cc(N(C)C(=O)c2coc(-c3nnn[n-]3)c2)ccn1 ZINC001580939845 1172571104 /nfs/dbraw/zinc/57/11/04/1172571104.db2.gz CFHNLHFZAMPRRT-UHFFFAOYSA-N -1 1 284.279 1.440 20 0 CDADMM Cc1cc(N(C)C(=O)c2coc(-c3nn[n-]n3)c2)ccn1 ZINC001580939845 1172571111 /nfs/dbraw/zinc/57/11/11/1172571111.db2.gz CFHNLHFZAMPRRT-UHFFFAOYSA-N -1 1 284.279 1.440 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCc3c2cccc3F)n1 ZINC001581411165 1172607823 /nfs/dbraw/zinc/60/78/23/1172607823.db2.gz NRWUMGZHAYUADO-UHFFFAOYSA-N -1 1 297.297 1.798 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCc3c2cccc3F)n1 ZINC001581411165 1172607830 /nfs/dbraw/zinc/60/78/30/1172607830.db2.gz NRWUMGZHAYUADO-UHFFFAOYSA-N -1 1 297.297 1.798 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(SCc2ccncc2)n1 ZINC001582816190 1172695079 /nfs/dbraw/zinc/69/50/79/1172695079.db2.gz DJMISTLFBNQHDV-UHFFFAOYSA-N -1 1 271.309 1.344 20 0 CDADMM c1ccc(COCCOc2cnc(-c3nn[n-]n3)nc2)cc1 ZINC001582819418 1172697533 /nfs/dbraw/zinc/69/75/33/1172697533.db2.gz SCIZXXBZDHRJAR-UHFFFAOYSA-N -1 1 298.306 1.252 20 0 CDADMM Cc1c(C(=O)N(C)c2nn[n-]n2)cnn1-c1cccc(C)c1 ZINC001587339191 1172982317 /nfs/dbraw/zinc/98/23/17/1172982317.db2.gz BUYUWLYIZFSQHN-UHFFFAOYSA-N -1 1 297.322 1.279 20 0 CDADMM C1=C(CCNc2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001588384417 1173057093 /nfs/dbraw/zinc/05/70/93/1173057093.db2.gz MTJIFXBGCJXYEA-UHFFFAOYSA-N -1 1 257.301 1.569 20 0 CDADMM C1=C(CCNc2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001588384417 1173057094 /nfs/dbraw/zinc/05/70/94/1173057094.db2.gz MTJIFXBGCJXYEA-UHFFFAOYSA-N -1 1 257.301 1.569 20 0 CDADMM C1=CC[C@]2(CC1)CCCN(c1ncncc1-c1nn[n-]n1)C2 ZINC001588386323 1173057364 /nfs/dbraw/zinc/05/73/64/1173057364.db2.gz NXZAJYOOODQEFP-HNNXBMFYSA-N -1 1 297.366 1.983 20 0 CDADMM CC(C(=O)Nc1n[nH]cc1-c1nnn[n-]1)=C1CCC1 ZINC001589011364 1173119867 /nfs/dbraw/zinc/11/98/67/1173119867.db2.gz ADPLGUUNPXTUAG-UHFFFAOYSA-N -1 1 259.273 1.029 20 0 CDADMM CC(C(=O)Nc1n[nH]cc1-c1nn[n-]n1)=C1CCC1 ZINC001589011364 1173119870 /nfs/dbraw/zinc/11/98/70/1173119870.db2.gz ADPLGUUNPXTUAG-UHFFFAOYSA-N -1 1 259.273 1.029 20 0 CDADMM CC(C)(Nc1cc(-c2nnn[n-]2)ncn1)C(F)F ZINC001589324450 1173137301 /nfs/dbraw/zinc/13/73/01/1173137301.db2.gz GRHYMENDDWOCMC-UHFFFAOYSA-N -1 1 255.232 1.112 20 0 CDADMM CC(C)(Nc1cc(-c2nn[n-]n2)ncn1)C(F)F ZINC001589324450 1173137308 /nfs/dbraw/zinc/13/73/08/1173137308.db2.gz GRHYMENDDWOCMC-UHFFFAOYSA-N -1 1 255.232 1.112 20 0 CDADMM CC(C)[C@H]1C[C@@H]1C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001589501297 1173150359 /nfs/dbraw/zinc/15/03/59/1173150359.db2.gz CDQKAAFOVVZYDL-SFYZADRCSA-N -1 1 293.352 1.659 20 0 CDADMM CC(C)[C@H]1C[C@@H]1C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001589501297 1173150362 /nfs/dbraw/zinc/15/03/62/1173150362.db2.gz CDQKAAFOVVZYDL-SFYZADRCSA-N -1 1 293.352 1.659 20 0 CDADMM CC(C)[C@H]1C[C@H]1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001589502073 1173151082 /nfs/dbraw/zinc/15/10/82/1173151082.db2.gz MKNWYFQEDUVHGA-RNFRBKRXSA-N -1 1 278.341 1.554 20 0 CDADMM CC(C)[C@H]1C[C@H]1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001589502073 1173151084 /nfs/dbraw/zinc/15/10/84/1173151084.db2.gz MKNWYFQEDUVHGA-RNFRBKRXSA-N -1 1 278.341 1.554 20 0 CDADMM CC(C)COC1CN(Cc2csc(-c3nn[n-]n3)c2)C1 ZINC001589640461 1173165837 /nfs/dbraw/zinc/16/58/37/1173165837.db2.gz NPYUKNKGDVAYRW-UHFFFAOYSA-N -1 1 293.396 1.785 20 0 CDADMM C[C@H](CC1CCC1)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001589802035 1173183520 /nfs/dbraw/zinc/18/35/20/1173183520.db2.gz RZEFPYDJFCZPGJ-MRVPVSSYSA-N -1 1 259.317 1.647 20 0 CDADMM CC(F)(F)C(C)(C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001589906597 1173201878 /nfs/dbraw/zinc/20/18/78/1173201878.db2.gz QJOPKUDHKZCPTJ-UHFFFAOYSA-N -1 1 283.286 1.172 20 0 CDADMM C[C@H](c1ccco1)N(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590050898 1173240525 /nfs/dbraw/zinc/24/05/25/1173240525.db2.gz PANFSXJQGKGJKF-MRVPVSSYSA-N -1 1 287.279 1.886 20 0 CDADMM C[C@H](c1ccco1)N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590050898 1173240536 /nfs/dbraw/zinc/24/05/36/1173240536.db2.gz PANFSXJQGKGJKF-MRVPVSSYSA-N -1 1 287.279 1.886 20 0 CDADMM CC1(CNc2cccnc2-c2nnn[n-]2)CCOCC1 ZINC001590136168 1173271055 /nfs/dbraw/zinc/27/10/55/1173271055.db2.gz RYJJPINDVAIMGG-UHFFFAOYSA-N -1 1 274.328 1.490 20 0 CDADMM CC1(CNc2cccnc2-c2nn[n-]n2)CCOCC1 ZINC001590136168 1173271059 /nfs/dbraw/zinc/27/10/59/1173271059.db2.gz RYJJPINDVAIMGG-UHFFFAOYSA-N -1 1 274.328 1.490 20 0 CDADMM C[C@@]1(NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)CC=CCC1 ZINC001590145033 1173272068 /nfs/dbraw/zinc/27/20/68/1173272068.db2.gz NEPCRIXICZNETA-CQSZACIVSA-N -1 1 299.338 1.882 20 0 CDADMM C[C@@]1(NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)CC=CCC1 ZINC001590145033 1173272074 /nfs/dbraw/zinc/27/20/74/1173272074.db2.gz NEPCRIXICZNETA-CQSZACIVSA-N -1 1 299.338 1.882 20 0 CDADMM C[C@@H]1C[C@@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590187896 1173284468 /nfs/dbraw/zinc/28/44/68/1173284468.db2.gz ABPAQTJDGPXWLI-RNFRBKRXSA-N -1 1 263.326 1.551 20 0 CDADMM C[C@@H]1C[C@@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590187896 1173284474 /nfs/dbraw/zinc/28/44/74/1173284474.db2.gz ABPAQTJDGPXWLI-RNFRBKRXSA-N -1 1 263.326 1.551 20 0 CDADMM C[C@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)n2)c2nccn21 ZINC001590208124 1173293460 /nfs/dbraw/zinc/29/34/60/1173293460.db2.gz KXKDKFVPVHEJNU-WPRPVWTQSA-N -1 1 282.311 1.576 20 0 CDADMM C[C@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)n2)c2nccn21 ZINC001590208124 1173293465 /nfs/dbraw/zinc/29/34/65/1173293465.db2.gz KXKDKFVPVHEJNU-WPRPVWTQSA-N -1 1 282.311 1.576 20 0 CDADMM C[C@H]1CC2(CC(Nc3cccc(-c4nnn[n-]4)n3)C2)CO1 ZINC001590223706 1173305963 /nfs/dbraw/zinc/30/59/63/1173305963.db2.gz SEIAANIGPPCPOO-IPWFMCSPSA-N -1 1 286.339 1.631 20 0 CDADMM C[C@H]1CC2(CC(Nc3cccc(-c4nn[n-]n4)n3)C2)CO1 ZINC001590223706 1173305970 /nfs/dbraw/zinc/30/59/70/1173305970.db2.gz SEIAANIGPPCPOO-IPWFMCSPSA-N -1 1 286.339 1.631 20 0 CDADMM C[C@@H]1CCC[C@@H](CNc2cc(-c3nnn[n-]3)ncn2)O1 ZINC001590240502 1173313910 /nfs/dbraw/zinc/31/39/10/1173313910.db2.gz DJLQONCZGQCHQY-BDAKNGLRSA-N -1 1 275.316 1.026 20 0 CDADMM C[C@@H]1CCC[C@@H](CNc2cc(-c3nn[n-]n3)ncn2)O1 ZINC001590240502 1173313918 /nfs/dbraw/zinc/31/39/18/1173313918.db2.gz DJLQONCZGQCHQY-BDAKNGLRSA-N -1 1 275.316 1.026 20 0 CDADMM C[C@@H]1COCC[C@H]1CNc1cccnc1-c1nnn[n-]1 ZINC001590323578 1173353446 /nfs/dbraw/zinc/35/34/46/1173353446.db2.gz JYSKQMVDEUZNDQ-ZJUUUORDSA-N -1 1 274.328 1.346 20 0 CDADMM C[C@@H]1COCC[C@H]1CNc1cccnc1-c1nn[n-]n1 ZINC001590323578 1173353452 /nfs/dbraw/zinc/35/34/52/1173353452.db2.gz JYSKQMVDEUZNDQ-ZJUUUORDSA-N -1 1 274.328 1.346 20 0 CDADMM C[C@H]1COCCN(C(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001590326798 1173358923 /nfs/dbraw/zinc/35/89/23/1173358923.db2.gz UJKWSDGLZWFKJI-MRVPVSSYSA-N -1 1 293.352 1.037 20 0 CDADMM C[C@H]1COCCN(C(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001590326798 1173358931 /nfs/dbraw/zinc/35/89/31/1173358931.db2.gz UJKWSDGLZWFKJI-MRVPVSSYSA-N -1 1 293.352 1.037 20 0 CDADMM CC[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001590460186 1173416457 /nfs/dbraw/zinc/41/64/57/1173416457.db2.gz YNSSIRXPBOBXPM-SECBINFHSA-N -1 1 272.312 1.180 20 0 CDADMM CC[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001590460186 1173416461 /nfs/dbraw/zinc/41/64/61/1173416461.db2.gz YNSSIRXPBOBXPM-SECBINFHSA-N -1 1 272.312 1.180 20 0 CDADMM CC[C@H](SC)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001590483000 1173431325 /nfs/dbraw/zinc/43/13/25/1173431325.db2.gz UKRLBMXVQDWQGQ-ZETCQYMHSA-N -1 1 299.381 1.508 20 0 CDADMM CC[C@H](SC)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001590483000 1173431329 /nfs/dbraw/zinc/43/13/29/1173431329.db2.gz UKRLBMXVQDWQGQ-ZETCQYMHSA-N -1 1 299.381 1.508 20 0 CDADMM CC[C@@]1(C)COCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590490517 1173434505 /nfs/dbraw/zinc/43/45/05/1173434505.db2.gz OHMPIAPJHHJESP-ZDUSSCGKSA-N -1 1 291.311 1.101 20 0 CDADMM CC[C@@]1(C)COCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590490517 1173434508 /nfs/dbraw/zinc/43/45/08/1173434508.db2.gz OHMPIAPJHHJESP-ZDUSSCGKSA-N -1 1 291.311 1.101 20 0 CDADMM CC[C@@H]1CN(c2ccc(C)nc2-c2nnn[n-]2)CCS1 ZINC001590519510 1173446646 /nfs/dbraw/zinc/44/66/46/1173446646.db2.gz AHSLPZKSMYBEAG-SNVBAGLBSA-N -1 1 290.396 1.902 20 0 CDADMM CC[C@@H]1CN(c2ccc(C)nc2-c2nn[n-]n2)CCS1 ZINC001590519510 1173446649 /nfs/dbraw/zinc/44/66/49/1173446649.db2.gz AHSLPZKSMYBEAG-SNVBAGLBSA-N -1 1 290.396 1.902 20 0 CDADMM CCCN(CC)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590624505 1173478120 /nfs/dbraw/zinc/47/81/20/1173478120.db2.gz PUTHXKZZOJAOBK-UHFFFAOYSA-N -1 1 295.372 1.265 20 0 CDADMM CCCN(CC)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590624505 1173478124 /nfs/dbraw/zinc/47/81/24/1173478124.db2.gz PUTHXKZZOJAOBK-UHFFFAOYSA-N -1 1 295.372 1.265 20 0 CDADMM CCN(C[C@@H]1CCCO1)c1cc(C)cc(-c2nnn[n-]2)n1 ZINC001590691502 1173492816 /nfs/dbraw/zinc/49/28/16/1173492816.db2.gz QLLVBOWEWQSMMV-NSHDSACASA-N -1 1 288.355 1.575 20 0 CDADMM CCN(C[C@@H]1CCCO1)c1cc(C)cc(-c2nn[n-]n2)n1 ZINC001590691502 1173492824 /nfs/dbraw/zinc/49/28/24/1173492824.db2.gz QLLVBOWEWQSMMV-NSHDSACASA-N -1 1 288.355 1.575 20 0 CDADMM CCN(Cc1occc1C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590722645 1173499442 /nfs/dbraw/zinc/49/94/42/1173499442.db2.gz QIVZEBQMNIPXPY-UHFFFAOYSA-N -1 1 299.338 1.893 20 0 CDADMM CCN(Cc1occc1C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590722645 1173499446 /nfs/dbraw/zinc/49/94/46/1173499446.db2.gz QIVZEBQMNIPXPY-UHFFFAOYSA-N -1 1 299.338 1.893 20 0 CDADMM CCO[C@@H]1CCCN(c2cc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001590793946 1173514422 /nfs/dbraw/zinc/51/44/22/1173514422.db2.gz KKGOLNPHSCIXLQ-LLVKDONJSA-N -1 1 288.355 1.575 20 0 CDADMM CCO[C@@H]1CCCN(c2cc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001590793946 1173514424 /nfs/dbraw/zinc/51/44/24/1173514424.db2.gz KKGOLNPHSCIXLQ-LLVKDONJSA-N -1 1 288.355 1.575 20 0 CDADMM CCc1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)nc(C)n1 ZINC001590884106 1173537222 /nfs/dbraw/zinc/53/72/22/1173537222.db2.gz ZCWBOORSKIYQBG-UHFFFAOYSA-N -1 1 299.294 1.373 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H]2C2CC2)n1 ZINC001590906765 1173539819 /nfs/dbraw/zinc/53/98/19/1173539819.db2.gz XFKMHWKSFSLSGI-JTQLQIEISA-N -1 1 271.328 1.208 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H]2C2CC2)n1 ZINC001590906765 1173539822 /nfs/dbraw/zinc/53/98/22/1173539822.db2.gz XFKMHWKSFSLSGI-JTQLQIEISA-N -1 1 271.328 1.208 20 0 CDADMM CCc1nc(N[C@H](COC)C2CC2)cc(-c2nnn[n-]2)n1 ZINC001590915798 1173541331 /nfs/dbraw/zinc/54/13/31/1173541331.db2.gz LNBHDKSRXMMYIL-SNVBAGLBSA-N -1 1 289.343 1.056 20 0 CDADMM CCc1nc(N[C@H](COC)C2CC2)cc(-c2nn[n-]n2)n1 ZINC001590915798 1173541334 /nfs/dbraw/zinc/54/13/34/1173541334.db2.gz LNBHDKSRXMMYIL-SNVBAGLBSA-N -1 1 289.343 1.056 20 0 CDADMM CCc1nc(CNc2ccc(C)nc2-c2nnn[n-]2)co1 ZINC001590914034 1173541998 /nfs/dbraw/zinc/54/19/98/1173541998.db2.gz XYAUFFYNIRICAP-UHFFFAOYSA-N -1 1 285.311 1.733 20 0 CDADMM CCc1nc(CNc2ccc(C)nc2-c2nn[n-]n2)co1 ZINC001590914034 1173542005 /nfs/dbraw/zinc/54/20/05/1173542005.db2.gz XYAUFFYNIRICAP-UHFFFAOYSA-N -1 1 285.311 1.733 20 0 CDADMM CN(CCC(F)(F)F)c1cncc(-c2nnn[n-]2)n1 ZINC001591064876 1173567880 /nfs/dbraw/zinc/56/78/80/1173567880.db2.gz XXIJWGWHULNRRL-UHFFFAOYSA-N -1 1 273.222 1.045 20 0 CDADMM CN(CCC(F)(F)F)c1cncc(-c2nn[n-]n2)n1 ZINC001591064876 1173567884 /nfs/dbraw/zinc/56/78/84/1173567884.db2.gz XXIJWGWHULNRRL-UHFFFAOYSA-N -1 1 273.222 1.045 20 0 CDADMM CN(c1cc(-c2nnn[n-]2)nc(C2CC2)n1)C1CCCC1 ZINC001591155208 1173585937 /nfs/dbraw/zinc/58/59/37/1173585937.db2.gz SEXLEGWVYPLELK-UHFFFAOYSA-N -1 1 285.355 1.913 20 0 CDADMM CN(c1cc(-c2nn[n-]n2)nc(C2CC2)n1)C1CCCC1 ZINC001591155208 1173585942 /nfs/dbraw/zinc/58/59/42/1173585942.db2.gz SEXLEGWVYPLELK-UHFFFAOYSA-N -1 1 285.355 1.913 20 0 CDADMM COC(=O)[C@@H](C)CSCc1ccc(-c2nnn[n-]2)o1 ZINC001591230256 1173596004 /nfs/dbraw/zinc/59/60/04/1173596004.db2.gz XHIPHUWAUIOLDD-ZETCQYMHSA-N -1 1 282.325 1.502 20 0 CDADMM COC(=O)[C@@H](C)CSCc1ccc(-c2nn[n-]n2)o1 ZINC001591230256 1173596009 /nfs/dbraw/zinc/59/60/09/1173596009.db2.gz XHIPHUWAUIOLDD-ZETCQYMHSA-N -1 1 282.325 1.502 20 0 CDADMM CO[C@@H]1CCC[C@@H]1CNc1ccc(C)nc1-c1nnn[n-]1 ZINC001591359931 1173629281 /nfs/dbraw/zinc/62/92/81/1173629281.db2.gz GHYNFXSNDAPENX-ZYHUDNBSSA-N -1 1 288.355 1.797 20 0 CDADMM CO[C@@H]1CCC[C@@H]1CNc1ccc(C)nc1-c1nn[n-]n1 ZINC001591359931 1173629283 /nfs/dbraw/zinc/62/92/83/1173629283.db2.gz GHYNFXSNDAPENX-ZYHUDNBSSA-N -1 1 288.355 1.797 20 0 CDADMM COc1cc(Cn2ccc(-c3nn[n-]n3)cc2=O)ccc1C ZINC001591539977 1173667342 /nfs/dbraw/zinc/66/73/42/1173667342.db2.gz KIQSTUKYJJJPMS-UHFFFAOYSA-N -1 1 297.318 1.394 20 0 CDADMM COc1ccc(CNc2cc(C)nc(-c3nnn[n-]3)c2)cn1 ZINC001591601365 1173674353 /nfs/dbraw/zinc/67/43/53/1173674353.db2.gz NVKXFHJOYPMYJA-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1ccc(CNc2cc(C)nc(-c3nn[n-]n3)c2)cn1 ZINC001591601365 1173674356 /nfs/dbraw/zinc/67/43/56/1173674356.db2.gz NVKXFHJOYPMYJA-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM C[C@@H]1CC=CC[C@H]1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591732237 1173694864 /nfs/dbraw/zinc/69/48/64/1173694864.db2.gz NCBDEQPHOXQOKY-PSASIEDQSA-N -1 1 273.296 1.544 20 0 CDADMM C[C@@H]1CC=CC[C@H]1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591732237 1173694868 /nfs/dbraw/zinc/69/48/68/1173694868.db2.gz NCBDEQPHOXQOKY-PSASIEDQSA-N -1 1 273.296 1.544 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCC2CCCCC2)n1 ZINC001591895039 1173741582 /nfs/dbraw/zinc/74/15/82/1173741582.db2.gz NTNIWRSFBPICHP-UHFFFAOYSA-N -1 1 273.344 1.957 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCC2CCCCC2)n1 ZINC001591895039 1173741585 /nfs/dbraw/zinc/74/15/85/1173741585.db2.gz NTNIWRSFBPICHP-UHFFFAOYSA-N -1 1 273.344 1.957 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C2CC2)C2CCC2)n1 ZINC001591890889 1173742191 /nfs/dbraw/zinc/74/21/91/1173742191.db2.gz KKPMTCOQIVGQMC-LBPRGKRZSA-N -1 1 285.355 1.956 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C2CC2)C2CCC2)n1 ZINC001591890889 1173742197 /nfs/dbraw/zinc/74/21/97/1173742197.db2.gz KKPMTCOQIVGQMC-LBPRGKRZSA-N -1 1 285.355 1.956 20 0 CDADMM Cc1cc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cs1 ZINC001591933067 1173746812 /nfs/dbraw/zinc/74/68/12/1173746812.db2.gz UBBGQQWEFSOUBB-UHFFFAOYSA-N -1 1 275.297 1.212 20 0 CDADMM Cc1cc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cs1 ZINC001591933067 1173746819 /nfs/dbraw/zinc/74/68/19/1173746819.db2.gz UBBGQQWEFSOUBB-UHFFFAOYSA-N -1 1 275.297 1.212 20 0 CDADMM Cc1cc(NC[C@H](O)CC(C)C)nc(-c2nnn[n-]2)c1 ZINC001592041901 1173783193 /nfs/dbraw/zinc/78/31/93/1173783193.db2.gz NIDRTVVYZBTYGV-SNVBAGLBSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1cc(NC[C@H](O)CC(C)C)nc(-c2nn[n-]n2)c1 ZINC001592041901 1173783199 /nfs/dbraw/zinc/78/31/99/1173783199.db2.gz NIDRTVVYZBTYGV-SNVBAGLBSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1cc(NCC2CCC(O)CC2)nc(-c2nnn[n-]2)c1 ZINC001592043131 1173784102 /nfs/dbraw/zinc/78/41/02/1173784102.db2.gz AVUXILJSDDBUBY-UHFFFAOYSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1cc(NCC2CCC(O)CC2)nc(-c2nn[n-]n2)c1 ZINC001592043131 1173784108 /nfs/dbraw/zinc/78/41/08/1173784108.db2.gz AVUXILJSDDBUBY-UHFFFAOYSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1cc(NC[C@H]2CCO[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001592045034 1173784334 /nfs/dbraw/zinc/78/43/34/1173784334.db2.gz MONLMCUWFUMBQQ-MNOVXSKESA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(NC[C@H]2CCO[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001592045034 1173784340 /nfs/dbraw/zinc/78/43/40/1173784340.db2.gz MONLMCUWFUMBQQ-MNOVXSKESA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001592113855 1173805366 /nfs/dbraw/zinc/80/53/66/1173805366.db2.gz LQRSPHUOKIZVMZ-TXEJJXNPSA-N -1 1 282.351 1.973 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@@H](C)CCCCO ZINC001592113040 1173805534 /nfs/dbraw/zinc/80/55/34/1173805534.db2.gz DIDOLVQCXFGXFX-JTQLQIEISA-N -1 1 276.344 1.533 20 0 CDADMM Cc1ccc(CCNc2nc(-c3nn[n-]n3)ccc2C)nc1 ZINC001592151408 1173813323 /nfs/dbraw/zinc/81/33/23/1173813323.db2.gz PBZLCAZEHHPURA-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(CCNc2ccc(C)c(-c3nn[n-]n3)n2)cn1 ZINC001592151055 1173813438 /nfs/dbraw/zinc/81/34/38/1173813438.db2.gz FDWPBHZNXWADIU-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(N2CC[C@@H](C(C)(C)O)C2)nc1-c1nnn[n-]1 ZINC001592175324 1173822279 /nfs/dbraw/zinc/82/22/79/1173822279.db2.gz PGEATUBRCVLTAK-SNVBAGLBSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(N2CC[C@@H](C(C)(C)O)C2)nc1-c1nn[n-]n1 ZINC001592175324 1173822286 /nfs/dbraw/zinc/82/22/86/1173822286.db2.gz PGEATUBRCVLTAK-SNVBAGLBSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)c(=O)[nH]1 ZINC001592180954 1173826159 /nfs/dbraw/zinc/82/61/59/1173826159.db2.gz UAEJQBPUYJEAHS-UHFFFAOYSA-N -1 1 286.251 1.121 20 0 CDADMM Cc1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)c(=O)[nH]1 ZINC001592180954 1173826166 /nfs/dbraw/zinc/82/61/66/1173826166.db2.gz UAEJQBPUYJEAHS-UHFFFAOYSA-N -1 1 286.251 1.121 20 0 CDADMM Cc1ccc(N[C@H]2CCOC2(C)C)nc1-c1nnn[n-]1 ZINC001592183682 1173827955 /nfs/dbraw/zinc/82/79/55/1173827955.db2.gz IUYLPHKNZLBWNU-VIFPVBQESA-N -1 1 274.328 1.550 20 0 CDADMM Cc1ccc(N[C@H]2CCOC2(C)C)nc1-c1nn[n-]n1 ZINC001592183682 1173827956 /nfs/dbraw/zinc/82/79/56/1173827956.db2.gz IUYLPHKNZLBWNU-VIFPVBQESA-N -1 1 274.328 1.550 20 0 CDADMM Cc1c[nH]c(NC(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001592293784 1173848003 /nfs/dbraw/zinc/84/80/03/1173848003.db2.gz NMUWKIRFAQENBE-UHFFFAOYSA-N -1 1 287.258 1.290 20 0 CDADMM Cc1c[nH]c(NC(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001592293784 1173848005 /nfs/dbraw/zinc/84/80/05/1173848005.db2.gz NMUWKIRFAQENBE-UHFFFAOYSA-N -1 1 287.258 1.290 20 0 CDADMM Cc1conc1CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001592312235 1173852115 /nfs/dbraw/zinc/85/21/15/1173852115.db2.gz UBKXSWRVLPBBOE-UHFFFAOYSA-N -1 1 298.310 1.443 20 0 CDADMM Cc1conc1CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001592312235 1173852120 /nfs/dbraw/zinc/85/21/20/1173852120.db2.gz UBKXSWRVLPBBOE-UHFFFAOYSA-N -1 1 298.310 1.443 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)c1-c1nn[n-]n1 ZINC001592327199 1173854809 /nfs/dbraw/zinc/85/48/09/1173854809.db2.gz FRAOPCZIAQCCSK-KDBVAPGDSA-N -1 1 287.327 1.129 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2C[C@H](C)[C@@H](C)C2)n1 ZINC001592337623 1173859121 /nfs/dbraw/zinc/85/91/21/1173859121.db2.gz MCGALANHTMPELR-YUMQZZPRSA-N -1 1 259.317 1.057 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2C[C@H](C)[C@@H](C)C2)n1 ZINC001592337623 1173859127 /nfs/dbraw/zinc/85/91/27/1173859127.db2.gz MCGALANHTMPELR-YUMQZZPRSA-N -1 1 259.317 1.057 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](C)[C@H]2C)n1 ZINC001592338067 1173859812 /nfs/dbraw/zinc/85/98/12/1173859812.db2.gz UUWSSSWMXUEZPU-HTQZYQBOSA-N -1 1 259.317 1.200 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](C)[C@H]2C)n1 ZINC001592338067 1173859817 /nfs/dbraw/zinc/85/98/17/1173859817.db2.gz UUWSSSWMXUEZPU-HTQZYQBOSA-N -1 1 259.317 1.200 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@H](C(C)C)C2)n1 ZINC001592337802 1173860536 /nfs/dbraw/zinc/86/05/36/1173860536.db2.gz OSBLGJRDUCOLPL-JTQLQIEISA-N -1 1 273.344 1.447 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@H](C(C)C)C2)n1 ZINC001592337802 1173860543 /nfs/dbraw/zinc/86/05/43/1173860543.db2.gz OSBLGJRDUCOLPL-JTQLQIEISA-N -1 1 273.344 1.447 20 0 CDADMM Cc1nc(-c2noc(-c3cccc(-c4nnn[n-]4)n3)n2)co1 ZINC001592341068 1173862217 /nfs/dbraw/zinc/86/22/17/1173862217.db2.gz PQFMTYUKAMIBTE-UHFFFAOYSA-N -1 1 296.250 1.275 20 0 CDADMM Cc1nc(-c2noc(-c3cccc(-c4nn[n-]n4)n3)n2)co1 ZINC001592341068 1173862223 /nfs/dbraw/zinc/86/22/23/1173862223.db2.gz PQFMTYUKAMIBTE-UHFFFAOYSA-N -1 1 296.250 1.275 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3CCC[C@@H]3C2)n1 ZINC001592340135 1173863064 /nfs/dbraw/zinc/86/30/64/1173863064.db2.gz WBIFASQVFNAPLD-AOOOYVTPSA-N -1 1 271.328 1.201 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3CCC[C@@H]3C2)n1 ZINC001592340135 1173863069 /nfs/dbraw/zinc/86/30/69/1173863069.db2.gz WBIFASQVFNAPLD-AOOOYVTPSA-N -1 1 271.328 1.201 20 0 CDADMM Cc1nc(CCOc2cccnc2-c2nnn[n-]2)cs1 ZINC001592360125 1173868563 /nfs/dbraw/zinc/86/85/63/1173868563.db2.gz VONCBASOHOFIOW-UHFFFAOYSA-N -1 1 288.336 1.648 20 0 CDADMM Cc1nc(CCOc2cccnc2-c2nn[n-]n2)cs1 ZINC001592360125 1173868570 /nfs/dbraw/zinc/86/85/70/1173868570.db2.gz VONCBASOHOFIOW-UHFFFAOYSA-N -1 1 288.336 1.648 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@H]2C[C@@H]2C(C)C)c1-c1nnn[n-]1 ZINC001592441302 1173891759 /nfs/dbraw/zinc/89/17/59/1173891759.db2.gz DQIIWQZFELIUKS-BDAKNGLRSA-N -1 1 289.343 1.139 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@H]2C[C@@H]2C(C)C)c1-c1nn[n-]n1 ZINC001592441302 1173891769 /nfs/dbraw/zinc/89/17/69/1173891769.db2.gz DQIIWQZFELIUKS-BDAKNGLRSA-N -1 1 289.343 1.139 20 0 CDADMM Cc1nocc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001592465555 1173896040 /nfs/dbraw/zinc/89/60/40/1173896040.db2.gz WIMVBDURQPQJLY-UHFFFAOYSA-N -1 1 286.251 1.121 20 0 CDADMM Cc1nsc(N(C)C(=O)C2=CCCC2)c1-c1nnn[n-]1 ZINC001592468450 1173896897 /nfs/dbraw/zinc/89/68/97/1173896897.db2.gz MJBYQIKRKRKEAS-UHFFFAOYSA-N -1 1 290.352 1.705 20 0 CDADMM Cc1nsc(N(C)C(=O)C2=CCCC2)c1-c1nn[n-]n1 ZINC001592468450 1173896901 /nfs/dbraw/zinc/89/69/01/1173896901.db2.gz MJBYQIKRKRKEAS-UHFFFAOYSA-N -1 1 290.352 1.705 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)CCCCCO ZINC001592495790 1173904300 /nfs/dbraw/zinc/90/43/00/1173904300.db2.gz RDOCGSZLEZGPDB-UHFFFAOYSA-N -1 1 293.327 1.003 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)CCCCCO ZINC001592495790 1173904309 /nfs/dbraw/zinc/90/43/09/1173904309.db2.gz RDOCGSZLEZGPDB-UHFFFAOYSA-N -1 1 293.327 1.003 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC(C(C)(C)C)C1 ZINC001592496417 1173905897 /nfs/dbraw/zinc/90/58/97/1173905897.db2.gz FCQXFLYBBDNCTF-UHFFFAOYSA-N -1 1 289.339 1.886 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC(C(C)(C)C)C1 ZINC001592496417 1173905903 /nfs/dbraw/zinc/90/59/03/1173905903.db2.gz FCQXFLYBBDNCTF-UHFFFAOYSA-N -1 1 289.339 1.886 20 0 CDADMM Clc1ccc(N2C[C@@H]3C[C@@H]3C2)nc1-c1nnn[n-]1 ZINC001592531236 1173912698 /nfs/dbraw/zinc/91/26/98/1173912698.db2.gz AFNUCCPLSNPYKN-KNVOCYPGSA-N -1 1 262.704 1.371 20 0 CDADMM Clc1ccc(N2C[C@@H]3C[C@@H]3C2)nc1-c1nn[n-]n1 ZINC001592531236 1173912700 /nfs/dbraw/zinc/91/27/00/1173912700.db2.gz AFNUCCPLSNPYKN-KNVOCYPGSA-N -1 1 262.704 1.371 20 0 CDADMM Clc1ncn(Cc2ccc(-c3nn[n-]n3)s2)n1 ZINC001592537489 1173916520 /nfs/dbraw/zinc/91/65/20/1173916520.db2.gz HAHJQNDQVYXNDU-UHFFFAOYSA-N -1 1 267.705 1.221 20 0 CDADMM Clc1sc(NC[C@H]2CCOC2)nc1-c1nn[n-]n1 ZINC001592543959 1173918619 /nfs/dbraw/zinc/91/86/19/1173918619.db2.gz UFEVWCLWUSZDLZ-RXMQYKEDSA-N -1 1 286.748 1.425 20 0 CDADMM F[C@]1(c2ccccc2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001592631079 1173940675 /nfs/dbraw/zinc/94/06/75/1173940675.db2.gz PTJBQVLYWNBHPX-RISCZKNCSA-N -1 1 297.297 1.706 20 0 CDADMM F[C@]1(c2ccccc2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001592631079 1173940683 /nfs/dbraw/zinc/94/06/83/1173940683.db2.gz PTJBQVLYWNBHPX-RISCZKNCSA-N -1 1 297.297 1.706 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1CCCCC1(F)F ZINC001592754106 1173987335 /nfs/dbraw/zinc/98/73/35/1173987335.db2.gz MAPGNFIVSMUFFV-ZETCQYMHSA-N -1 1 297.269 1.111 20 0 CDADMM O=C(CCc1cccnc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592853542 1173997958 /nfs/dbraw/zinc/99/79/58/1173997958.db2.gz JOEVATJSOUIVJE-UHFFFAOYSA-N -1 1 295.306 1.228 20 0 CDADMM O=C(CCc1cccnc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592853542 1173997962 /nfs/dbraw/zinc/99/79/62/1173997962.db2.gz JOEVATJSOUIVJE-UHFFFAOYSA-N -1 1 295.306 1.228 20 0 CDADMM O=C(N[C@@H]1CCC[C@@H](F)C1)c1ccc(-c2nnn[n-]2)o1 ZINC001592975462 1174010517 /nfs/dbraw/zinc/01/05/17/1174010517.db2.gz NFMSNFPPDZDETR-HTQZYQBOSA-N -1 1 279.275 1.470 20 0 CDADMM O=C(N[C@@H]1CCC[C@@H](F)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001592975462 1174010527 /nfs/dbraw/zinc/01/05/27/1174010527.db2.gz NFMSNFPPDZDETR-HTQZYQBOSA-N -1 1 279.275 1.470 20 0 CDADMM O=C(NCC[C@@H]1CCSC1)c1ccc(-c2nn[n-]n2)o1 ZINC001593066142 1174020633 /nfs/dbraw/zinc/02/06/33/1174020633.db2.gz XEHRMRPXTNEDTF-MRVPVSSYSA-N -1 1 293.352 1.333 20 0 CDADMM O=C(NCC[C@@H]1CCSC1)c1ccc(-c2nnn[n-]2)o1 ZINC001593066142 1174020623 /nfs/dbraw/zinc/02/06/23/1174020623.db2.gz XEHRMRPXTNEDTF-MRVPVSSYSA-N -1 1 293.352 1.333 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@@H]1CC12CCC2 ZINC001593133100 1174024420 /nfs/dbraw/zinc/02/44/20/1174024420.db2.gz HQPZCCWWBNFNSV-VIFPVBQESA-N -1 1 289.364 1.735 20 0 CDADMM O=C(Nc1ccc2c(c1)COC2)c1ccc(-c2nn[n-]n2)o1 ZINC001593238919 1174036765 /nfs/dbraw/zinc/03/67/65/1174036765.db2.gz MGAYIUQJCZXJMZ-UHFFFAOYSA-N -1 1 297.274 1.742 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1CC2CCC1CC2 ZINC001593259965 1174042146 /nfs/dbraw/zinc/04/21/46/1174042146.db2.gz FWTBPYNKXLIDJR-AMDVSUOASA-N -1 1 287.327 1.355 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CC[C@@H]1C1CC1 ZINC001593256690 1174043959 /nfs/dbraw/zinc/04/39/59/1174043959.db2.gz WQWQJZKYGKKELM-LLVKDONJSA-N -1 1 285.311 1.278 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CC[C@@H]1C1CC1 ZINC001593256690 1174043965 /nfs/dbraw/zinc/04/39/65/1174043965.db2.gz WQWQJZKYGKKELM-LLVKDONJSA-N -1 1 285.311 1.278 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@]12C[C@@H]1CCCC2 ZINC001593268212 1174045994 /nfs/dbraw/zinc/04/59/94/1174045994.db2.gz ONKDUFMEUHGBLP-MADCSZMMSA-N -1 1 290.352 1.842 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@]12C[C@@H]1CCCC2 ZINC001593268212 1174045999 /nfs/dbraw/zinc/04/59/99/1174045999.db2.gz ONKDUFMEUHGBLP-MADCSZMMSA-N -1 1 290.352 1.842 20 0 CDADMM O=C(Oc1c(F)cccc1F)c1coc(-c2nnn[n-]2)c1 ZINC001593308590 1174063099 /nfs/dbraw/zinc/06/30/99/1174063099.db2.gz CXWQOVZEWASQEH-UHFFFAOYSA-N -1 1 292.201 1.957 20 0 CDADMM O=C(Oc1c(F)cccc1F)c1coc(-c2nn[n-]n2)c1 ZINC001593308590 1174063106 /nfs/dbraw/zinc/06/31/06/1174063106.db2.gz CXWQOVZEWASQEH-UHFFFAOYSA-N -1 1 292.201 1.957 20 0 CDADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)[C@@H]1CCCS1 ZINC001593307992 1174063758 /nfs/dbraw/zinc/06/37/58/1174063758.db2.gz XIWGFAPLJAUTIS-ZETCQYMHSA-N -1 1 297.365 1.262 20 0 CDADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)[C@@H]1CCCS1 ZINC001593307992 1174063763 /nfs/dbraw/zinc/06/37/63/1174063763.db2.gz XIWGFAPLJAUTIS-ZETCQYMHSA-N -1 1 297.365 1.262 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@@H](C2CC2)C1 ZINC001593368011 1174071356 /nfs/dbraw/zinc/07/13/56/1174071356.db2.gz QOOOMCJDADYCRX-SECBINFHSA-N -1 1 273.296 1.332 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@@H](C2CC2)C1 ZINC001593368011 1174071361 /nfs/dbraw/zinc/07/13/61/1174071361.db2.gz QOOOMCJDADYCRX-SECBINFHSA-N -1 1 273.296 1.332 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1C[C@@H]1CC2CCC1CC2 ZINC001593493182 1174086552 /nfs/dbraw/zinc/08/65/52/1174086552.db2.gz AUEUXDQHOQWETO-XIVSLSHWSA-N -1 1 285.351 1.855 20 0 CDADMM c1cc(NCC2CCCCCC2)nc(-c2nn[n-]n2)n1 ZINC001593558077 1174133310 /nfs/dbraw/zinc/13/33/10/1174133310.db2.gz IAENYRZJICNTMG-UHFFFAOYSA-N -1 1 273.344 1.461 20 0 CDADMM c1ccc2c(c1)CO[C@@H]2CNc1ccnc(-c2nnn[n-]2)c1 ZINC001593580356 1174146721 /nfs/dbraw/zinc/14/67/21/1174146721.db2.gz VGPZJFPOFDCDEJ-CQSZACIVSA-N -1 1 294.318 1.367 20 0 CDADMM c1ccc2c(c1)CO[C@@H]2CNc1ccnc(-c2nn[n-]n2)c1 ZINC001593580356 1174146724 /nfs/dbraw/zinc/14/67/24/1174146724.db2.gz VGPZJFPOFDCDEJ-CQSZACIVSA-N -1 1 294.318 1.367 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N2CCOC3(CCCC3)C2)c1 ZINC001593583252 1174149761 /nfs/dbraw/zinc/14/97/61/1174149761.db2.gz UBNCDJMZBCNKRT-UHFFFAOYSA-N -1 1 286.339 1.411 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N2CCOC3(CCCC3)C2)c1 ZINC001593583252 1174149770 /nfs/dbraw/zinc/14/97/70/1174149770.db2.gz UBNCDJMZBCNKRT-UHFFFAOYSA-N -1 1 286.339 1.411 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N2CCC3(C2)CCOCC3)c1 ZINC001593582920 1174150439 /nfs/dbraw/zinc/15/04/39/1174150439.db2.gz GBTQLTOZYIKMAU-UHFFFAOYSA-N -1 1 286.339 1.269 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N2CCC3(C2)CCOCC3)c1 ZINC001593582920 1174150440 /nfs/dbraw/zinc/15/04/40/1174150440.db2.gz GBTQLTOZYIKMAU-UHFFFAOYSA-N -1 1 286.339 1.269 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CC[C@@H]3CCCC[C@@H]32)n1 ZINC001593590610 1174157755 /nfs/dbraw/zinc/15/77/55/1174157755.db2.gz ZZCPWKXPBWPJFW-ONGXEEELSA-N -1 1 271.328 1.426 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CC[C@@H]3CCCC[C@@H]32)n1 ZINC001593590610 1174157760 /nfs/dbraw/zinc/15/77/60/1174157760.db2.gz ZZCPWKXPBWPJFW-ONGXEEELSA-N -1 1 271.328 1.426 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NCC(C1CC1)C1CC1 ZINC001593590437 1174157866 /nfs/dbraw/zinc/15/78/66/1174157866.db2.gz RZFSDAIRYXKWGW-UHFFFAOYSA-N -1 1 271.328 1.505 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NCC(C1CC1)C1CC1 ZINC001593590437 1174157872 /nfs/dbraw/zinc/15/78/72/1174157872.db2.gz RZFSDAIRYXKWGW-UHFFFAOYSA-N -1 1 271.328 1.505 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NCc1noc2c1CCCC2 ZINC001593590158 1174158111 /nfs/dbraw/zinc/15/81/11/1174158111.db2.gz IAZPCGLHNIGUKK-UHFFFAOYSA-N -1 1 298.310 1.136 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NCc1noc2c1CCCC2 ZINC001593590158 1174158114 /nfs/dbraw/zinc/15/81/14/1174158114.db2.gz IAZPCGLHNIGUKK-UHFFFAOYSA-N -1 1 298.310 1.136 20 0 CDADMM c1nc(NC[C@H]2CCC[C@H]2C2CC2)cc(-c2nnn[n-]2)n1 ZINC001593590624 1174158133 /nfs/dbraw/zinc/15/81/33/1174158133.db2.gz AKHNBOZEEQUZBT-MNOVXSKESA-N -1 1 285.355 1.895 20 0 CDADMM c1nc(NC[C@H]2CCC[C@H]2C2CC2)cc(-c2nn[n-]n2)n1 ZINC001593590624 1174158138 /nfs/dbraw/zinc/15/81/38/1174158138.db2.gz AKHNBOZEEQUZBT-MNOVXSKESA-N -1 1 285.355 1.895 20 0 CDADMM c1nc(NC[C@@H]2CC[C@H]3C[C@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001593591394 1174159491 /nfs/dbraw/zinc/15/94/91/1174159491.db2.gz PDAMGXLIKROXNB-KXUCPTDWSA-N -1 1 271.328 1.505 20 0 CDADMM c1nc(NC[C@@H]2CC[C@H]3C[C@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001593591394 1174159495 /nfs/dbraw/zinc/15/94/95/1174159495.db2.gz PDAMGXLIKROXNB-KXUCPTDWSA-N -1 1 271.328 1.505 20 0 CDADMM Cc1cc(NC(=O)Cc2cnc[nH]2)nc(C)c1C(=O)[O-] ZINC001600258295 1174427466 /nfs/dbraw/zinc/42/74/66/1174427466.db2.gz OXSRAEWPPRBHPP-UHFFFAOYSA-N -1 1 274.280 1.301 20 0 CDADMM Cc1cccc([C@H](O)CN(C)[C@@H](COC(C)C)C(=O)[O-])c1 ZINC001600518472 1174494269 /nfs/dbraw/zinc/49/42/69/1174494269.db2.gz CXEGJHHNUPYSFU-LSDHHAIUSA-N -1 1 295.379 1.838 20 0 CDADMM Cc1nc(CN[C@@]2(CC(=O)[O-])CCCOC2)cs1 ZINC001600702070 1174571751 /nfs/dbraw/zinc/57/17/51/1174571751.db2.gz HIFRLHQJSXNSPP-GFCCVEGCSA-N -1 1 270.354 1.565 20 0 CDADMM O=C([O-])[C@@H]1CCCC[C@H]1CN1CCO[C@H](C(=O)C2CC2)C1 ZINC001601226867 1174799310 /nfs/dbraw/zinc/79/93/10/1174799310.db2.gz FHCWLVGISSFAEK-MJBXVCDLSA-N -1 1 295.379 1.557 20 0 CDADMM O=C([O-])[C@@H](NCC(=O)NCc1ccco1)C1CCCCC1 ZINC001601324932 1174833493 /nfs/dbraw/zinc/83/34/93/1174833493.db2.gz KRBKDBGTQOAYAI-AWEZNQCLSA-N -1 1 294.351 1.519 20 0 CDADMM O=C([O-])[C@@H]1CC[C@@H](N[C@@H](CO)c2c(F)cccc2F)C1 ZINC001601791376 1175006600 /nfs/dbraw/zinc/00/66/00/1175006600.db2.gz HXNONSSSZDAJOM-LNLATYFQSA-N -1 1 285.290 1.841 20 0 CDADMM O=C([O-])C[C@@H](CNC(=O)[C@@H]1CCN1C1CCCC1)C1CC1 ZINC001601892029 1175055272 /nfs/dbraw/zinc/05/52/72/1175055272.db2.gz GXTLBPASYKXVEU-JSGCOSHPSA-N -1 1 294.395 1.620 20 0 CDADMM O=C([O-])C[C@H](NC(=O)c1cc2[nH]cnc2cc1F)C1CC1 ZINC001601903811 1175058977 /nfs/dbraw/zinc/05/89/77/1175058977.db2.gz GPVCSVLOWOFUOB-JTQLQIEISA-N -1 1 291.282 1.685 20 0 CDADMM O=C([O-])C[C@@H]1CCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC001601955166 1175084769 /nfs/dbraw/zinc/08/47/69/1175084769.db2.gz OKJMHOAWHVZWSI-JTQLQIEISA-N -1 1 255.314 1.571 20 0 CDADMM O=C([O-])c1ccc(-c2noc([C@H]3CNCCO3)n2)cc1 ZINC001602312330 1175197173 /nfs/dbraw/zinc/19/71/73/1175197173.db2.gz DSHUOTUJXBRKOK-SNVBAGLBSA-N -1 1 275.264 1.096 20 0 CDADMM O=C([O-])c1cn(CN2CC[C@@H](C3CCCCC3)C2)nn1 ZINC001602505827 1175262968 /nfs/dbraw/zinc/26/29/68/1175262968.db2.gz ZXZVAQYQWSPFCA-GFCCVEGCSA-N -1 1 278.356 1.836 20 0 CDADMM O=C([O-])c1cnc([C@@H]2CCN(Cc3ccno3)C2)s1 ZINC001602518337 1175264747 /nfs/dbraw/zinc/26/47/47/1175264747.db2.gz JDJZLZNOKWSGIX-MRVPVSSYSA-N -1 1 279.321 1.819 20 0 CDADMM O=C([O-])c1cnc(CN2CCC[C@@]3(CC3(F)F)C2)cn1 ZINC001602519525 1175264888 /nfs/dbraw/zinc/26/48/88/1175264888.db2.gz ARLVVGKLLYLCQF-GFCCVEGCSA-N -1 1 283.278 1.796 20 0 CDADMM O=C([O-])c1cnoc1CN1CCC[C@@]2(CC2(F)F)C1 ZINC001602547283 1175287588 /nfs/dbraw/zinc/28/75/88/1175287588.db2.gz HJQPVAKIJDVFOO-LLVKDONJSA-N -1 1 272.251 1.994 20 0 CDADMM CC(C)C(C)(C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001603206966 1175514543 /nfs/dbraw/zinc/51/45/43/1175514543.db2.gz TWIWOBKNIMDTTA-UHFFFAOYSA-N -1 1 289.339 1.987 20 0 CDADMM CC(C)C(C)(C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001603206966 1175514547 /nfs/dbraw/zinc/51/45/47/1175514547.db2.gz TWIWOBKNIMDTTA-UHFFFAOYSA-N -1 1 289.339 1.987 20 0 CDADMM CC(C)[C@@H](C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001603207737 1175515281 /nfs/dbraw/zinc/51/52/81/1175515281.db2.gz ALQMEGPPZXPIFE-MRVPVSSYSA-N -1 1 279.369 1.837 20 0 CDADMM CC(C)[C@@H](O)CCSc1cccnc1-c1nnn[n-]1 ZINC001603231019 1175519854 /nfs/dbraw/zinc/51/98/54/1175519854.db2.gz ITCWXRXEAAVIQR-VIFPVBQESA-N -1 1 279.369 1.761 20 0 CDADMM CC(C)[C@@H](O)CCSc1cccnc1-c1nn[n-]n1 ZINC001603231019 1175519864 /nfs/dbraw/zinc/51/98/64/1175519864.db2.gz ITCWXRXEAAVIQR-VIFPVBQESA-N -1 1 279.369 1.761 20 0 CDADMM Cc1nnc(CNC(=O)c2ccc3ccc(O)cc3c2[O-])[nH]1 ZINC001603260887 1175528192 /nfs/dbraw/zinc/52/81/92/1175528192.db2.gz GHGURABYLCJWGP-UHFFFAOYSA-N -1 1 298.302 1.608 20 0 CDADMM CC(C)(C)OC(=O)[C@]1(C)CCCN1C[C@@](C)(O)C(=O)[O-] ZINC001603357441 1175547871 /nfs/dbraw/zinc/54/78/71/1175547871.db2.gz HEVBZUMRSDZUSD-UONOGXRCSA-N -1 1 287.356 1.018 20 0 CDADMM C[C@@H](CC1CCC1)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603463388 1175557607 /nfs/dbraw/zinc/55/76/07/1175557607.db2.gz JEVUWNYDKIOMCR-QMMMGPOBSA-N -1 1 275.312 1.768 20 0 CDADMM C[C@@H](CC1CCC1)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001603463388 1175557612 /nfs/dbraw/zinc/55/76/12/1175557612.db2.gz JEVUWNYDKIOMCR-QMMMGPOBSA-N -1 1 275.312 1.768 20 0 CDADMM CC(C)(C)c1n[nH]cc1CN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001603550727 1175563120 /nfs/dbraw/zinc/56/31/20/1175563120.db2.gz GXXQJMLOMKSTRA-GFCCVEGCSA-N -1 1 295.383 1.365 20 0 CDADMM CC(C)(C)c1nc(CN[C@H](C(=O)[O-])C2CC2)n[nH]1 ZINC001603551476 1175563584 /nfs/dbraw/zinc/56/35/84/1175563584.db2.gz RQRQXRBGMOCXPJ-VIFPVBQESA-N -1 1 252.318 1.055 20 0 CDADMM CC(F)(F)CCCOC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001603595336 1175574430 /nfs/dbraw/zinc/57/44/30/1175574430.db2.gz PUDDXDIMCOIWBV-UHFFFAOYSA-N -1 1 297.265 1.854 20 0 CDADMM CC(F)(F)CCCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001603595336 1175574440 /nfs/dbraw/zinc/57/44/40/1175574440.db2.gz PUDDXDIMCOIWBV-UHFFFAOYSA-N -1 1 297.265 1.854 20 0 CDADMM C[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)C1CCC1 ZINC001603648054 1175586963 /nfs/dbraw/zinc/58/69/63/1175586963.db2.gz CUUWTKZQTFKZNR-SSDOTTSWSA-N -1 1 261.285 1.378 20 0 CDADMM C[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)C1CCC1 ZINC001603648054 1175586965 /nfs/dbraw/zinc/58/69/65/1175586965.db2.gz CUUWTKZQTFKZNR-SSDOTTSWSA-N -1 1 261.285 1.378 20 0 CDADMM CC1(C(=O)OCc2cccnc2-c2nnn[n-]2)CCCC1 ZINC001603755392 1175617674 /nfs/dbraw/zinc/61/76/74/1175617674.db2.gz PPZKZYYPVMVBFY-UHFFFAOYSA-N -1 1 287.323 1.885 20 0 CDADMM CC1(C(=O)OCc2cccnc2-c2nn[n-]n2)CCCC1 ZINC001603755392 1175617678 /nfs/dbraw/zinc/61/76/78/1175617678.db2.gz PPZKZYYPVMVBFY-UHFFFAOYSA-N -1 1 287.323 1.885 20 0 CDADMM CC1(CC(=O)NCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001603797255 1175635839 /nfs/dbraw/zinc/63/58/39/1175635839.db2.gz OKUOWBCDVGUYSB-UHFFFAOYSA-N -1 1 272.312 1.068 20 0 CDADMM CC1(CC(=O)NCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001603797255 1175635843 /nfs/dbraw/zinc/63/58/43/1175635843.db2.gz OKUOWBCDVGUYSB-UHFFFAOYSA-N -1 1 272.312 1.068 20 0 CDADMM C[C@H]1C[C@H](C)N1Cc1nc(-c2nnn[n-]2)cs1 ZINC001603847301 1175652743 /nfs/dbraw/zinc/65/27/43/1175652743.db2.gz OZOVHDOOOSWHGE-BQBZGAKWSA-N -1 1 250.331 1.306 20 0 CDADMM C[C@H]1C[C@H](C)N1Cc1nc(-c2nn[n-]n2)cs1 ZINC001603847301 1175652748 /nfs/dbraw/zinc/65/27/48/1175652748.db2.gz OZOVHDOOOSWHGE-BQBZGAKWSA-N -1 1 250.331 1.306 20 0 CDADMM CC1CC(OC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC001603868577 1175660291 /nfs/dbraw/zinc/66/02/91/1175660291.db2.gz YBCYAMKGFYRKHB-UHFFFAOYSA-N -1 1 264.310 1.884 20 0 CDADMM CC(C)N(CCC(=O)[O-])CN1Cc2cccnc2C1=O ZINC001603879447 1175666041 /nfs/dbraw/zinc/66/60/41/1175666041.db2.gz GCMIFYQDJUCENZ-UHFFFAOYSA-N -1 1 277.324 1.180 20 0 CDADMM C/C=C\C[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001603963298 1175701634 /nfs/dbraw/zinc/70/16/34/1175701634.db2.gz NPMRCWODTRXHKO-QUCGXOGASA-N -1 1 285.355 1.839 20 0 CDADMM C/C=C\C[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001603963298 1175701639 /nfs/dbraw/zinc/70/16/39/1175701639.db2.gz NPMRCWODTRXHKO-QUCGXOGASA-N -1 1 285.355 1.839 20 0 CDADMM CC[C@@H](C)[C@H](COC(=O)c1ccc(-c2nn[n-]n2)o1)OC ZINC001603997711 1175711778 /nfs/dbraw/zinc/71/17/78/1175711778.db2.gz ALNMXSUCOFVDCE-KCJUWKMLSA-N -1 1 294.311 1.678 20 0 CDADMM CC[C@H](C)N(C)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001604003477 1175713648 /nfs/dbraw/zinc/71/36/48/1175713648.db2.gz CFDLUKJSJZRJLR-QMMMGPOBSA-N -1 1 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CC[C@@H]1[C@H](CO)CCN1[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595408448 980998874 /nfs/dbraw/zinc/99/88/74/980998874.db2.gz PNVFWAFJKOBHKK-KXUCPTDWSA-N -1 1 284.381 1.995 20 0 CDADMM CC[C@@H]1CN(C)CCN1C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001595483796 981214945 /nfs/dbraw/zinc/21/49/45/981214945.db2.gz RACLNPCTQOHPJU-LLVKDONJSA-N -1 1 294.355 1.281 20 0 CDADMM CCC[C@@H]1CN(C[C@H]2[C@H](C(=O)[O-])C2(F)F)CCO1 ZINC001595624697 981735780 /nfs/dbraw/zinc/73/57/80/981735780.db2.gz DFPGHEHCLODZNF-KXUCPTDWSA-N -1 1 263.284 1.453 20 0 CDADMM CC[C@@H](C(=O)O[C@H](C(=O)[O-])C(C)C)N(CC)CC ZINC001594774711 981754204 /nfs/dbraw/zinc/75/42/04/981754204.db2.gz GKYFSTDKAYCBBG-QWRGUYRKSA-N -1 1 259.346 1.759 20 0 CDADMM CCCCCC[C@@](O)(CN1C[C@H]2CC[C@@H](C1)O2)C(=O)[O-] ZINC001595699316 982258335 /nfs/dbraw/zinc/25/83/35/982258335.db2.gz ZAODYJAJQWRLCY-VNHYZAJKSA-N -1 1 285.384 1.636 20 0 CDADMM CC[C@@H](C)[C@H](NC(=O)c1ccc2cncn2c1C)C(=O)[O-] ZINC001594911970 982419406 /nfs/dbraw/zinc/41/94/06/982419406.db2.gz 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/nfs/dbraw/zinc/66/86/31/413668631.db2.gz VMOSMLITHMHZQT-BDAKNGLRSA-N -1 1 264.281 1.469 20 0 CDADMM C[C@](CCF)(NC(=O)c1n[nH]c2ccccc21)C(=O)[O-] ZINC000659217012 413613477 /nfs/dbraw/zinc/61/34/77/413613477.db2.gz VYPKBPAZIDOLFO-CYBMUJFWSA-N -1 1 279.271 1.496 20 0 CDADMM CN(C(=O)c1cccc2c[nH]nc21)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659228524 413622834 /nfs/dbraw/zinc/62/28/34/413622834.db2.gz OHWJEBIAOGIAFL-AOOOYVTPSA-N -1 1 273.292 1.498 20 0 CDADMM CN1CC[C@H]2CCN(S(=O)(=O)c3ccccc3[O-])[C@@H]2C1 ZINC000656955160 413816349 /nfs/dbraw/zinc/81/63/49/413816349.db2.gz SVDVIGHZMBYODL-NWDGAFQWSA-N -1 1 296.392 1.107 20 0 CDADMM Cc1cc(C[C@H](C)NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)n[nH]1 ZINC000663042618 413853295 /nfs/dbraw/zinc/85/32/95/413853295.db2.gz UXMXXUORRMGXIH-KWQFWETISA-N -1 1 281.356 1.512 20 0 CDADMM CN1CCCC[C@H]1C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663153008 414006079 /nfs/dbraw/zinc/00/60/79/414006079.db2.gz IACYGMMDDAPZHS-NEPJUHHUSA-N -1 1 268.357 1.088 20 0 CDADMM Cc1ncc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])[nH]1 ZINC000663146380 413999917 /nfs/dbraw/zinc/99/99/17/413999917.db2.gz CIVUWZWVZUQDGB-CYBMUJFWSA-N -1 1 285.303 1.542 20 0 CDADMM Cc1noc(C(C)(C)NC(=O)c2c([O-])cccc2F)n1 ZINC000285638565 196352113 /nfs/dbraw/zinc/35/21/13/196352113.db2.gz FUCQYAFEUYSKKK-UHFFFAOYSA-N -1 1 279.271 1.888 20 0 CDADMM C[C@@H](Cc1[nH]cc[nH+]1)OCc1cc(=O)[nH]c(C2CC2)n1 ZINC000665686836 414361106 /nfs/dbraw/zinc/36/11/06/414361106.db2.gz BTABCCZDBMDSHX-VIFPVBQESA-N -1 1 274.324 1.931 20 0 CDADMM O=C(C=Cc1ccc(Cl)cc1)NCc1nn[n-]n1 ZINC000044927169 175278458 /nfs/dbraw/zinc/27/84/58/175278458.db2.gz MYTSTFCDGRQJSE-ZZXKWVIFSA-N -1 1 263.688 1.183 20 0 CDADMM CN(CC(C)(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000045090385 175305490 /nfs/dbraw/zinc/30/54/90/175305490.db2.gz YMLHGKOJFZHNTE-JTQLQIEISA-N -1 1 282.344 1.093 20 0 CDADMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2cccs2)n1 ZINC000072049611 176310688 /nfs/dbraw/zinc/31/06/88/176310688.db2.gz NXDRYFZVAWACFJ-LURJTMIESA-N -1 1 273.339 1.479 20 0 CDADMM Cc1c(C(=O)Nc2nnn[n-]2)cnn1-c1ccc(F)cc1 ZINC000076963701 177135678 /nfs/dbraw/zinc/13/56/78/177135678.db2.gz ROHWRORLSFUAFM-UHFFFAOYSA-N -1 1 287.258 1.085 20 0 CDADMM Cc1c(C(=O)Nc2nn[n-]n2)cnn1-c1ccc(F)cc1 ZINC000076963701 177135679 /nfs/dbraw/zinc/13/56/79/177135679.db2.gz ROHWRORLSFUAFM-UHFFFAOYSA-N -1 1 287.258 1.085 20 0 CDADMM Cc1noc(C)c1[C@@H](C)NC(=O)c1ncccc1[O-] ZINC000078679954 177370389 /nfs/dbraw/zinc/37/03/89/177370389.db2.gz ZLDCFKNBIGXCBQ-SSDOTTSWSA-N -1 1 261.281 1.883 20 0 CDADMM CC(C)(O)C(C)(C)CNc1cccc(-c2nn[n-]n2)n1 ZINC001589326774 1173137596 /nfs/dbraw/zinc/13/75/96/1173137596.db2.gz KBIMPNBNQSQHGF-UHFFFAOYSA-N -1 1 276.344 1.471 20 0 CDADMM CC(C)(O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001589338595 1173139874 /nfs/dbraw/zinc/13/98/74/1173139874.db2.gz CSJFUQRDDMCOQB-UHFFFAOYSA-N -1 1 274.737 1.159 20 0 CDADMM CC(C)(O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589338595 1173139878 /nfs/dbraw/zinc/13/98/78/1173139878.db2.gz CSJFUQRDDMCOQB-UHFFFAOYSA-N -1 1 274.737 1.159 20 0 CDADMM CCc1nnsc1C(=O)[N-]c1nc2ccc(F)cn2n1 ZINC000085739170 260379045 /nfs/dbraw/zinc/37/90/45/260379045.db2.gz JTQQXAPPSGWJFP-UHFFFAOYSA-N -1 1 292.299 1.535 20 0 CDADMM Cc1cc(S(=O)(=O)[N-]CCC(F)F)sn1 ZINC001666724245 1173178003 /nfs/dbraw/zinc/17/80/03/1173178003.db2.gz DRBMGWVIYYBORJ-UHFFFAOYSA-N -1 1 256.299 1.385 20 0 CDADMM C[C@@H](CCO)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000652964518 424017512 /nfs/dbraw/zinc/01/75/12/424017512.db2.gz BRYMUWKICJXUOB-QMMMGPOBSA-N -1 1 257.717 1.889 20 0 CDADMM Cc1cnc(CCNC(=O)c2ncccc2[O-])c(C)c1 ZINC000655249893 424148212 /nfs/dbraw/zinc/14/82/12/424148212.db2.gz RDILFUVZESODFU-UHFFFAOYSA-N -1 1 271.320 1.772 20 0 CDADMM CCN(Cc1ccc(C(=O)[O-])cn1)C[C@H]1CCCO1 ZINC000094762377 265251953 /nfs/dbraw/zinc/25/19/53/265251953.db2.gz RLJRMJKSGIPSQV-CYBMUJFWSA-N -1 1 264.325 1.781 20 0 CDADMM Cc1ccc([C@H]2C[C@@H]2C(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000518966198 265254865 /nfs/dbraw/zinc/25/48/65/265254865.db2.gz GKBQGJWGFQQMCR-NEPJUHHUSA-N -1 1 283.335 1.417 20 0 CDADMM O=C(COCC1CCCC1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000653720334 424530956 /nfs/dbraw/zinc/53/09/56/424530956.db2.gz FRPCXVIKUZSKNT-GFCCVEGCSA-N -1 1 293.371 1.113 20 0 CDADMM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000653320881 424579429 /nfs/dbraw/zinc/57/94/29/424579429.db2.gz YBKQRYNEPDTFRR-QWRGUYRKSA-N -1 1 291.351 1.685 20 0 CDADMM C[C@@H]1C[C@H](C)CN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590189657 1173284800 /nfs/dbraw/zinc/28/48/00/1173284800.db2.gz ITZXOUQFHDMRMU-JGVFFNPUSA-N -1 1 277.353 1.799 20 0 CDADMM Cc1ccc2c(c1)nc(CNC(=O)c1ncccc1[O-])n2C ZINC000184074891 270250904 /nfs/dbraw/zinc/25/09/04/270250904.db2.gz DYGOVXCAMZJUEL-UHFFFAOYSA-N -1 1 296.330 1.912 20 0 CDADMM CC[C@H](O)CCCNC(=O)c1c([O-])cccc1F ZINC000398484403 270355437 /nfs/dbraw/zinc/35/54/37/270355437.db2.gz FSTKNQSHHLTLEY-VIFPVBQESA-N -1 1 255.289 1.812 20 0 CDADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001590218796 1173297277 /nfs/dbraw/zinc/29/72/77/1173297277.db2.gz LRMBSVPYXDPEDT-XFWSIPNHSA-N -1 1 271.328 1.361 20 0 CDADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001590218796 1173297279 /nfs/dbraw/zinc/29/72/79/1173297279.db2.gz LRMBSVPYXDPEDT-XFWSIPNHSA-N -1 1 271.328 1.361 20 0 CDADMM Cc1ccc2c([O-])c(C(=O)NCC34CC(C3)CO4)cnc2n1 ZINC000530273970 271191492 /nfs/dbraw/zinc/19/14/92/271191492.db2.gz LBURWJZTZUXDDQ-UHFFFAOYSA-N -1 1 299.330 1.553 20 0 CDADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCC13CC(C1)CO3)c2=O ZINC000530273970 271191495 /nfs/dbraw/zinc/19/14/95/271191495.db2.gz LBURWJZTZUXDDQ-UHFFFAOYSA-N -1 1 299.330 1.553 20 0 CDADMM CN(C)C(=O)CCNC(=O)c1cc2ccccc2cc1[O-] ZINC000044362648 279145745 /nfs/dbraw/zinc/14/57/45/279145745.db2.gz OKQBJMHBOWMFDZ-UHFFFAOYSA-N -1 1 286.331 1.754 20 0 CDADMM CCC(CC)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590435816 1173409511 /nfs/dbraw/zinc/40/95/11/1173409511.db2.gz KRZJQALWEMTFQB-UHFFFAOYSA-N -1 1 265.342 1.847 20 0 CDADMM C[C@H](Cn1ccnc1)NC(=O)c1c([O-])cccc1F 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O=C(Nc1cnn(-c2ccccn2)c1)c1ccc(O)cc1[O-] ZINC000541889648 289522896 /nfs/dbraw/zinc/52/28/96/289522896.db2.gz FBLCPOJFCKHVQR-UHFFFAOYSA-N -1 1 296.286 1.931 20 0 CDADMM Cc1ncc2c(n1)CCN(C(=O)C(=O)c1ccc([O-])cc1)C2 ZINC000554506770 290166442 /nfs/dbraw/zinc/16/64/42/290166442.db2.gz PBDTVIRAMRBDAD-UHFFFAOYSA-N -1 1 297.314 1.258 20 0 CDADMM O=C(NCc1cccc(=O)[nH]1)c1c(F)ccc([O-])c1F ZINC000554883618 290196590 /nfs/dbraw/zinc/19/65/90/290196590.db2.gz VFXQJOYXYLTBTG-UHFFFAOYSA-N -1 1 280.230 1.701 20 0 CDADMM O=S(=O)([N-]c1cnc[nH]1)c1cncc(Cl)c1 ZINC000556177809 290257151 /nfs/dbraw/zinc/25/71/51/290257151.db2.gz NEYBMVSHOOJFSM-UHFFFAOYSA-N -1 1 258.690 1.259 20 0 CDADMM Cc1cnc(C(=O)N[C@@H]2CCc3n[nH]cc3C2)c([O-])c1 ZINC000332594557 292881701 /nfs/dbraw/zinc/88/17/01/292881701.db2.gz HENNRILOISNDNI-SNVBAGLBSA-N -1 1 272.308 1.106 20 0 CDADMM C[C@@H](C[C@@H]1CCCO1)NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000333005868 293001131 /nfs/dbraw/zinc/00/11/31/293001131.db2.gz ZJVDXHDJIUMRBZ-ONGXEEELSA-N -1 1 295.408 1.827 20 0 CDADMM CC(C)(C)c1nnc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])[nH]1 ZINC000563288761 293336211 /nfs/dbraw/zinc/33/62/11/293336211.db2.gz OPQXKPZLAIXJCL-JBLDHEPKSA-N -1 1 292.383 1.787 20 0 CDADMM O=C(N=c1cc(-c2cccc(F)c2F)[n-][nH]1)c1cn[nH]c1 ZINC000568819471 294104814 /nfs/dbraw/zinc/10/48/14/294104814.db2.gz VEFAVHAHKTZWKD-UHFFFAOYSA-N -1 1 289.245 1.752 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)NC2(c3nn[n-]n3)CC2)C[C@@H]1C ZINC000570278524 294207962 /nfs/dbraw/zinc/20/79/62/294207962.db2.gz GWJMNOLOJYRPPW-UTLUCORTSA-N -1 1 263.345 1.377 20 0 CDADMM CCc1nc(S[C@@H](C)C(=O)N(C)C)[n-]c(=O)c1C ZINC000570463701 294245701 /nfs/dbraw/zinc/24/57/01/294245701.db2.gz DDOCKWPQDGHCSY-QMMMGPOBSA-N -1 1 269.370 1.622 20 0 CDADMM C[C@H]1CC[N@@H+](CC(=O)Nc2nnn[n-]2)CC12CCCCC2 ZINC000570661414 294283622 /nfs/dbraw/zinc/28/36/22/294283622.db2.gz PTTBHJUWISVZMG-NSHDSACASA-N -1 1 292.387 1.431 20 0 CDADMM CC[C@H](Nc1nc2[nH][n-]cc-2c(=O)n1)[C@@H]1CC1(C)C ZINC000571031267 294353482 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COCCOC(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC001591431198 1173651769 /nfs/dbraw/zinc/65/17/69/1173651769.db2.gz DIJHYLRHYZYLMP-UHFFFAOYSA-N -1 1 282.231 1.168 20 0 CDADMM CS[C@@H]1CCN(C(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001591694137 1173684737 /nfs/dbraw/zinc/68/47/37/1173684737.db2.gz ZXAKBNZTBNOAFT-MRVPVSSYSA-N -1 1 295.393 1.506 20 0 CDADMM CSCC[C@@H](C)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001591699289 1173688034 /nfs/dbraw/zinc/68/80/34/1173688034.db2.gz GVRDVIVUGFQEPR-SSDOTTSWSA-N -1 1 265.346 1.210 20 0 CDADMM CSCC[C@@H](C)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001591699289 1173688039 /nfs/dbraw/zinc/68/80/39/1173688039.db2.gz GVRDVIVUGFQEPR-SSDOTTSWSA-N -1 1 265.346 1.210 20 0 CDADMM NC(=O)c1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)o1 ZINC000350834660 316210182 /nfs/dbraw/zinc/21/01/82/316210182.db2.gz LTKHTUDZCGISDQ-UHFFFAOYSA-N -1 1 289.222 1.940 20 0 CDADMM Cc1cc(CSc2ncc(C)c(=O)[n-]2)n(C)n1 ZINC000563441811 316311077 /nfs/dbraw/zinc/31/10/77/316311077.db2.gz YQWJSNSQWCHQTG-UHFFFAOYSA-N -1 1 250.327 1.825 20 0 CDADMM COC[C@H](NC(=O)c1ccc([O-])cc1F)[C@H]1CCCO1 ZINC000576101641 317074271 /nfs/dbraw/zinc/07/42/71/317074271.db2.gz GQVOUTGIYSOUCI-QWHCGFSZSA-N -1 1 283.299 1.455 20 0 CDADMM O=C([O-])c1ccc(NC[C@@H]2CCCC[N@H+]2C2CC2)nn1 ZINC000577615233 317366593 /nfs/dbraw/zinc/36/65/93/317366593.db2.gz GTLJOGKDDYXPJD-NSHDSACASA-N -1 1 276.340 1.026 20 0 CDADMM Cc1cnc(NC(=O)c2ccsc2-c2nnn[n-]2)o1 ZINC001592293731 1173850250 /nfs/dbraw/zinc/85/02/50/1173850250.db2.gz KBABDKIDLJPVKF-UHFFFAOYSA-N -1 1 276.281 1.477 20 0 CDADMM Cc1cnc(NC(=O)c2ccsc2-c2nn[n-]n2)o1 ZINC001592293731 1173850254 /nfs/dbraw/zinc/85/02/54/1173850254.db2.gz KBABDKIDLJPVKF-UHFFFAOYSA-N -1 1 276.281 1.477 20 0 CDADMM CCOC(=O)c1cc(NC(=O)CCC2CCOCC2)n[nH]1 ZINC000183290481 323329259 /nfs/dbraw/zinc/32/92/59/323329259.db2.gz WZBCKZDUDCKNPR-UHFFFAOYSA-N -1 1 295.339 1.732 20 0 CDADMM Cc1nsc(N(C)CC2=CCSC2)c1-c1nn[n-]n1 ZINC001592469096 1173898696 /nfs/dbraw/zinc/89/86/96/1173898696.db2.gz GALSGALLLFFWAN-UHFFFAOYSA-N -1 1 294.409 1.741 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Cc1cc(NC(=O)[C@@H]2CCCN2C)ccc1C(=O)[O-] ZINC000738423395 576072478 /nfs/dbraw/zinc/07/24/78/576072478.db2.gz WCPFCYKNALLBKK-LBPRGKRZSA-N -1 1 262.309 1.726 20 0 CDADMM c1cncc(-c2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)c1 ZINC000738445468 576076316 /nfs/dbraw/zinc/07/63/16/576076316.db2.gz JIXBSGCFMMSJNE-UHFFFAOYSA-N -1 1 292.262 1.374 20 0 CDADMM c1cncc(-c2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)c1 ZINC000738445468 576076317 /nfs/dbraw/zinc/07/63/17/576076317.db2.gz JIXBSGCFMMSJNE-UHFFFAOYSA-N -1 1 292.262 1.374 20 0 CDADMM Cc1cccnc1[C@@H](N[C@@H](C)C(=O)NCC(=O)[O-])C(C)C ZINC000738786336 576113487 /nfs/dbraw/zinc/11/34/87/576113487.db2.gz NPGAFIDNZWYMSS-AAEUAGOBSA-N -1 1 293.367 1.266 20 0 CDADMM Cc1nc(CCN(C)Cc2cc(C(=O)[O-])co2)no1 ZINC000738854728 576125036 /nfs/dbraw/zinc/12/50/36/576125036.db2.gz IFAYOXUBXJWJHV-UHFFFAOYSA-N -1 1 265.269 1.344 20 0 CDADMM O=C(CCCn1ccnc1)[N-]OCC(F)(F)F ZINC000766766843 576133106 /nfs/dbraw/zinc/13/31/06/576133106.db2.gz CXJPFANKEGQNNP-UHFFFAOYSA-N -1 1 251.208 1.273 20 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289.209 1.466 20 0 CDADMM CC(C)[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCS1 ZINC000095149188 599096184 /nfs/dbraw/zinc/09/61/84/599096184.db2.gz FCMPZMWKDUEYOV-SECBINFHSA-N -1 1 291.384 1.235 20 0 CDADMM CC(C)[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCS1 ZINC000095149188 599096187 /nfs/dbraw/zinc/09/61/87/599096187.db2.gz FCMPZMWKDUEYOV-SECBINFHSA-N -1 1 291.384 1.235 20 0 CDADMM CC[C@@H](C(=O)Nc1ccc(CNC(=O)[O-])cc1)N(C)C ZINC000828587585 602147830 /nfs/dbraw/zinc/14/78/30/602147830.db2.gz UTSHMYISXGYWJR-LBPRGKRZSA-N -1 1 279.340 1.733 20 0 CDADMM O=C([O-])c1ccc(CN[C@@H]2CCC3(C[C@@H]2F)OCCO3)o1 ZINC001602345310 1175218985 /nfs/dbraw/zinc/21/89/85/1175218985.db2.gz FLRKFLRXAKTRME-WDEREUQCSA-N -1 1 299.298 1.701 20 0 CDADMM O=C([O-])c1ccc(Cl)c(C(=O)NCc2c[nH]nn2)c1 ZINC001602356371 1175222326 /nfs/dbraw/zinc/22/23/26/1175222326.db2.gz XPMQCCQLHKZSFK-UHFFFAOYSA-N -1 1 280.671 1.086 20 0 CDADMM CCc1ccccc1NC(=O)[C@H](C)N(C)CCC(=O)[O-] ZINC000818339282 596998366 /nfs/dbraw/zinc/99/83/66/596998366.db2.gz 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CC(=O)OC1CCN(C(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000807150114 1162734354 /nfs/dbraw/zinc/73/43/54/1162734354.db2.gz MVIGOONMJBKFBT-UHFFFAOYSA-N -1 1 291.303 1.129 20 0 CDADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](C)Cc1ccco1 ZINC000809807791 1163089214 /nfs/dbraw/zinc/08/92/14/1163089214.db2.gz SMSSCPRWVKQSFV-SSDOTTSWSA-N -1 1 285.325 1.068 20 0 CDADMM CCC[C@H](OC)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001604145972 1163105497 /nfs/dbraw/zinc/10/54/97/1163105497.db2.gz CMJSDYHENFHASG-ZETCQYMHSA-N -1 1 296.356 1.385 20 0 CDADMM CCC[C@H](OC)C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001604145972 1163105509 /nfs/dbraw/zinc/10/55/09/1163105509.db2.gz CMJSDYHENFHASG-ZETCQYMHSA-N -1 1 296.356 1.385 20 0 CDADMM C[C@H](N(C)CC(=O)Nc1cccc(C(=O)[O-])c1)C(C)(C)O ZINC001604254722 1163135344 /nfs/dbraw/zinc/13/53/44/1163135344.db2.gz OOFCQUFBEOGSBV-JTQLQIEISA-N -1 1 294.351 1.415 20 0 CDADMM CS[C@@H](CO)[C@H](C)NC(=O)c1ccc([O-])cc1F ZINC000226271169 1160687502 /nfs/dbraw/zinc/68/75/02/1160687502.db2.gz VDWQKLOVTHCLNF-CPCISQLKSA-N 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C[C@@H]1CCC[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC001604737588 1163302793 /nfs/dbraw/zinc/30/27/93/1163302793.db2.gz HAOBXDPJQNIDBF-KCJUWKMLSA-N -1 1 266.297 1.398 20 0 CDADMM C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC001604767635 1163317099 /nfs/dbraw/zinc/31/70/99/1163317099.db2.gz UMTNZHPYGADQPU-VSYUYLJXSA-N -1 1 277.324 1.055 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)CCC(F)F ZINC001604790471 1163325107 /nfs/dbraw/zinc/32/51/07/1163325107.db2.gz KTKVQZZEKZNLTD-SECBINFHSA-N -1 1 278.299 1.039 20 0 CDADMM CC[C@H](C(=O)[O-])n1cc([C@H](N)c2ccccc2)nn1 ZINC001604885191 1163368441 /nfs/dbraw/zinc/36/84/41/1163368441.db2.gz PGUHVBRCNHUOQJ-VXGBXAGGSA-N -1 1 260.297 1.362 20 0 CDADMM COCC1(CNc2cccnc2-c2nnn[n-]2)CCCC1 ZINC001605068245 1163439923 /nfs/dbraw/zinc/43/99/23/1163439923.db2.gz LTUPJHFKYHAILQ-UHFFFAOYSA-N -1 1 288.355 1.880 20 0 CDADMM COCC1(CNc2cccnc2-c2nn[n-]n2)CCCC1 ZINC001605068245 1163439925 /nfs/dbraw/zinc/43/99/25/1163439925.db2.gz LTUPJHFKYHAILQ-UHFFFAOYSA-N -1 1 288.355 1.880 20 0 CDADMM COc1cnc(C=Cc2ccc(-c3nn[nH]n3)cc2)[n-]c1=O ZINC001605156691 1163472521 /nfs/dbraw/zinc/47/25/21/1163472521.db2.gz IUORBKHUFURSAW-DAXSKMNVSA-N -1 1 296.290 1.541 20 0 CDADMM COc1cc(CNc2cc(C)nc(-c3nnn[n-]3)c2)ccn1 ZINC001605220304 1163490148 /nfs/dbraw/zinc/49/01/48/1163490148.db2.gz TYKNLORNZDOQCJ-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1cc(CNc2cc(C)nc(-c3nn[n-]n3)c2)ccn1 ZINC001605220304 1163490154 /nfs/dbraw/zinc/49/01/54/1163490154.db2.gz TYKNLORNZDOQCJ-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1ccc(CN(C)c2ccnc(-c3nnn[n-]3)c2)cn1 ZINC001605274598 1163511529 /nfs/dbraw/zinc/51/15/29/1163511529.db2.gz PSXKDVMGPDYECP-UHFFFAOYSA-N -1 1 297.322 1.302 20 0 CDADMM COc1ccc(CN(C)c2ccnc(-c3nn[n-]n3)c2)cn1 ZINC001605274598 1163511536 /nfs/dbraw/zinc/51/15/36/1163511536.db2.gz PSXKDVMGPDYECP-UHFFFAOYSA-N -1 1 297.322 1.302 20 0 CDADMM CSCCC(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001605377356 1163542161 /nfs/dbraw/zinc/54/21/61/1163542161.db2.gz RONCJYIQIYGOLC-UHFFFAOYSA-N -1 1 293.356 1.159 20 0 CDADMM CCCn1c(C)nnc1CN1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001605384610 1163544292 /nfs/dbraw/zinc/54/42/92/1163544292.db2.gz JNIGEHRENARWTR-DOMZBBRYSA-N -1 1 292.383 1.826 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H]([C@@H](C)O)C2)c1 ZINC001605560987 1163611615 /nfs/dbraw/zinc/61/16/15/1163611615.db2.gz NJPNHAPXNMJUTA-MNOVXSKESA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H]([C@@H](C)O)C2)c1 ZINC001605560987 1163611621 /nfs/dbraw/zinc/61/16/21/1163611621.db2.gz NJPNHAPXNMJUTA-MNOVXSKESA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)n1 ZINC001605569600 1163612545 /nfs/dbraw/zinc/61/25/45/1163612545.db2.gz OLEVPQJSSUJSQJ-DKIAZLNASA-N -1 1 289.343 1.189 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)n1 ZINC001605569600 1163612550 /nfs/dbraw/zinc/61/25/50/1163612550.db2.gz OLEVPQJSSUJSQJ-DKIAZLNASA-N -1 1 289.343 1.189 20 0 CDADMM CCOCCOCCN(C)Cc1ccc(C(=O)[O-])o1 ZINC001605639770 1163631846 /nfs/dbraw/zinc/63/18/46/1163631846.db2.gz SOFCGISCXBHKQT-UHFFFAOYSA-N -1 1 271.313 1.463 20 0 CDADMM Cc1ccc(C(=O)Cn2cc(-c3nn[n-]n3)ccc2=O)cc1 ZINC001605807126 1163677235 /nfs/dbraw/zinc/67/72/35/1163677235.db2.gz OGJAOLBSEFGGPS-UHFFFAOYSA-N -1 1 295.302 1.220 20 0 CDADMM Cc1ccc(NC[C@@H]2CCC[C@@H](O)C2)nc1-c1nnn[n-]1 ZINC001605875057 1163702499 /nfs/dbraw/zinc/70/24/99/1163702499.db2.gz XAQUTQYWVMVENC-GHMZBOCLSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(NC[C@@H]2CCC[C@@H](O)C2)nc1-c1nn[n-]n1 ZINC001605875057 1163702505 /nfs/dbraw/zinc/70/25/05/1163702505.db2.gz XAQUTQYWVMVENC-GHMZBOCLSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(NC[C@H](C)Cn2cccn2)c(-c2nnn[n-]2)n1 ZINC001605873727 1163702670 /nfs/dbraw/zinc/70/26/70/1163702670.db2.gz HLOZGEGKHGUFIO-JTQLQIEISA-N -1 1 298.354 1.515 20 0 CDADMM Cc1ccc(NC[C@H](C)Cn2cccn2)c(-c2nn[n-]n2)n1 ZINC001605873727 1163702674 /nfs/dbraw/zinc/70/26/74/1163702674.db2.gz HLOZGEGKHGUFIO-JTQLQIEISA-N -1 1 298.354 1.515 20 0 CDADMM Cc1ccc2[nH+]cc(-c3nn[nH]n3)c(N[C@H](C)CCO)c2c1 ZINC001605895638 1163710847 /nfs/dbraw/zinc/71/08/47/1163710847.db2.gz WXHQBHYXBUVGSU-SNVBAGLBSA-N -1 1 298.350 1.328 20 0 CDADMM Cc1cncc(CNc2ccc(C)c(-c3nn[n-]n3)n2)c1 ZINC001605984293 1163736895 /nfs/dbraw/zinc/73/68/95/1163736895.db2.gz GCNRBDUJIPXSDP-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM CN(C)c1ncnc(Cl)c1CN1CC[C@](C)(C(=O)[O-])C1 ZINC001606069844 1163763418 /nfs/dbraw/zinc/76/34/18/1163763418.db2.gz CNFDUZBFDZJIIA-ZDUSSCGKSA-N -1 1 298.774 1.493 20 0 CDADMM Cc1nsc(NCCC2(C)OCCO2)c1-c1nn[n-]n1 ZINC001606158970 1163791309 /nfs/dbraw/zinc/79/13/09/1163791309.db2.gz TVLAFUIPWPDNDS-UHFFFAOYSA-N -1 1 296.356 1.197 20 0 CDADMM Clc1nc(N2CC[C@@H]3C[C@@H]3C2)sc1-c1nnn[n-]1 ZINC001606198438 1163804412 /nfs/dbraw/zinc/80/44/12/1163804412.db2.gz KZCIKYFALXAHAA-PHDIDXHHSA-N -1 1 282.760 1.823 20 0 CDADMM Clc1nc(N2CC[C@@H]3C[C@@H]3C2)sc1-c1nn[n-]n1 ZINC001606198438 1163804422 /nfs/dbraw/zinc/80/44/22/1163804422.db2.gz KZCIKYFALXAHAA-PHDIDXHHSA-N -1 1 282.760 1.823 20 0 CDADMM C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C(=O)[O-])cc1F ZINC001606224313 1163818733 /nfs/dbraw/zinc/81/87/33/1163818733.db2.gz DUVNPMJOXQCMFC-NSHDSACASA-N -1 1 294.326 1.738 20 0 CDADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)C12CC(C1)C2 ZINC001606985097 1164048969 /nfs/dbraw/zinc/04/89/69/1164048969.db2.gz HIPUWFRFYWVNOP-UHFFFAOYSA-N -1 1 277.309 1.167 20 0 CDADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)C12CC(C1)C2 ZINC001606985097 1164048975 /nfs/dbraw/zinc/04/89/75/1164048975.db2.gz HIPUWFRFYWVNOP-UHFFFAOYSA-N -1 1 277.309 1.167 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H](CF)C1 ZINC001607017391 1164060123 /nfs/dbraw/zinc/06/01/23/1164060123.db2.gz SXHRDSHYAWTOJC-SECBINFHSA-N -1 1 290.302 1.083 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H](CF)C1 ZINC001607017391 1164060128 /nfs/dbraw/zinc/06/01/28/1164060128.db2.gz SXHRDSHYAWTOJC-SECBINFHSA-N -1 1 290.302 1.083 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@H](c2ccco2)C1 ZINC001607016874 1164060367 /nfs/dbraw/zinc/06/03/67/1164060367.db2.gz FTBFNCCKIBBONV-VIFPVBQESA-N -1 1 299.290 1.682 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@H](c2ccco2)C1 ZINC001607016874 1164060375 /nfs/dbraw/zinc/06/03/75/1164060375.db2.gz FTBFNCCKIBBONV-VIFPVBQESA-N -1 1 299.290 1.682 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1C[C@@H]2CCCC[C@@H]21 ZINC001607017424 1164060739 /nfs/dbraw/zinc/06/07/39/1164060739.db2.gz XDPWYQNTCPGJBU-IUCAKERBSA-N -1 1 273.296 1.474 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1C[C@@H]2CCCC[C@@H]21 ZINC001607017424 1164060744 /nfs/dbraw/zinc/06/07/44/1164060744.db2.gz XDPWYQNTCPGJBU-IUCAKERBSA-N -1 1 273.296 1.474 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1cc2ccccc2o1 ZINC001607090045 1164075160 /nfs/dbraw/zinc/07/51/60/1164075160.db2.gz JDRWRDVJHKZKFZ-UHFFFAOYSA-N -1 1 293.286 1.823 20 0 CDADMM O[C@@H](CCn1ccnc1-c1nnn[n-]1)c1ccccc1 ZINC001607094070 1164076731 /nfs/dbraw/zinc/07/67/31/1164076731.db2.gz MUQQDJRKZZIPKC-NSHDSACASA-N -1 1 270.296 1.187 20 0 CDADMM O[C@@H](CCn1ccnc1-c1nn[n-]n1)c1ccccc1 ZINC001607094070 1164076738 /nfs/dbraw/zinc/07/67/38/1164076738.db2.gz MUQQDJRKZZIPKC-NSHDSACASA-N -1 1 270.296 1.187 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1COC1CCCCC1 ZINC001607091202 1164076790 /nfs/dbraw/zinc/07/67/90/1164076790.db2.gz AXPSNFCDRJTRCA-UHFFFAOYSA-N -1 1 275.312 1.335 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1Cn1nnc2ccccc21 ZINC001607132051 1164110574 /nfs/dbraw/zinc/11/05/74/1164110574.db2.gz SZAUKIXIJVFPMP-UHFFFAOYSA-N -1 1 267.252 1.253 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1Cn1nnc2ccccc21 ZINC001607132051 1164110580 /nfs/dbraw/zinc/11/05/80/1164110580.db2.gz SZAUKIXIJVFPMP-UHFFFAOYSA-N -1 1 267.252 1.253 20 0 CDADMM c1cncc([C@H]2C[C@@H]2Nc2nccnc2-c2nnn[n-]2)c1 ZINC001607135478 1164115417 /nfs/dbraw/zinc/11/54/17/1164115417.db2.gz FMKBZPXEEPFYOU-ZJUUUORDSA-N -1 1 280.295 1.020 20 0 CDADMM c1cncc([C@H]2C[C@@H]2Nc2nccnc2-c2nn[n-]n2)c1 ZINC001607135478 1164115420 /nfs/dbraw/zinc/11/54/20/1164115420.db2.gz FMKBZPXEEPFYOU-ZJUUUORDSA-N -1 1 280.295 1.020 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2C[C@@H](C3CC3)[C@H]2C2CC2)n1 ZINC001607136617 1164116660 /nfs/dbraw/zinc/11/66/60/1164116660.db2.gz MBOHUDIWAILXRS-GXFFZTMASA-N -1 1 283.339 1.282 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2C[C@@H](C3CC3)[C@H]2C2CC2)n1 ZINC001607136617 1164116662 /nfs/dbraw/zinc/11/66/62/1164116662.db2.gz MBOHUDIWAILXRS-GXFFZTMASA-N -1 1 283.339 1.282 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC001607138990 1164119669 /nfs/dbraw/zinc/11/96/69/1164119669.db2.gz RIEKWQVDPJWDCG-BBBLOLIVSA-N -1 1 271.328 1.505 20 0 CDADMM Cn1ccnc1[C@@H]1CCN(Cc2nc(C(=O)[O-])cs2)C1 ZINC001608134059 1164420837 /nfs/dbraw/zinc/42/08/37/1164420837.db2.gz NWPCPQHCTWDWDQ-SECBINFHSA-N -1 1 292.364 1.564 20 0 CDADMM CCN(CC)C(=O)CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000865014425 1164604050 /nfs/dbraw/zinc/60/40/50/1164604050.db2.gz ICMBRHXMJKANGK-UHFFFAOYSA-N -1 1 298.770 1.573 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(Cc3cn4cc(Cl)ccc4n3)C[C@@H]21 ZINC001608817240 1164648963 /nfs/dbraw/zinc/64/89/63/1164648963.db2.gz HJKTWJVGRYRGNM-PJXYFTJBSA-N -1 1 291.738 1.750 20 0 CDADMM O=C([O-])c1cc(F)ccc1CN1C[C@@H]2C[C@]2(CO)C1 ZINC001608850718 1164662991 /nfs/dbraw/zinc/66/29/91/1164662991.db2.gz HFIIZJVRJJTLQN-IINYFYTJSA-N -1 1 265.284 1.338 20 0 CDADMM O=C([O-])c1ccc(C(=O)N2CCC[C@H](c3nc[nH]n3)C2)o1 ZINC001608872409 1164668172 /nfs/dbraw/zinc/66/81/72/1164668172.db2.gz KLARLJOECRDUPA-QMMMGPOBSA-N -1 1 290.279 1.116 20 0 CDADMM O=C([O-])c1ccc(CN[C@H]2COc3ccccc3[C@H]2O)o1 ZINC001608886066 1164675969 /nfs/dbraw/zinc/67/59/69/1164675969.db2.gz HESUBZQOWRUQDS-SMDDNHRTSA-N -1 1 289.287 1.562 20 0 CDADMM O=C([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@](O)(CO)C2)c1 ZINC001608892512 1164678811 /nfs/dbraw/zinc/67/88/11/1164678811.db2.gz SUMGLXFOFXHACS-AWEZNQCLSA-N -1 1 299.754 1.357 20 0 CDADMM O=C([O-])c1ccc(Cl)c(CN2CCC[C@@](O)(CO)C2)c1 ZINC001608892512 1164678813 /nfs/dbraw/zinc/67/88/13/1164678813.db2.gz SUMGLXFOFXHACS-AWEZNQCLSA-N -1 1 299.754 1.357 20 0 CDADMM O=C([O-])c1cnc(CCNCc2cn(C3CC3)cn2)s1 ZINC001608970785 1164697490 /nfs/dbraw/zinc/69/74/90/1164697490.db2.gz DVVZBYXWZHTPLA-UHFFFAOYSA-N -1 1 292.364 1.705 20 0 CDADMM Cc1cc(F)ccc1NC(=O)Cc1sc(N)nc1[O-] ZINC000120795228 1164702708 /nfs/dbraw/zinc/70/27/08/1164702708.db2.gz KJQCXDHYRGUZGG-SECBINFHSA-N -1 1 281.312 1.419 20 0 CDADMM C(Nc1n[nH]c(C2CC2)c1-c1nnn[n-]1)[C@H]1CCSC1 ZINC001609022520 1164730522 /nfs/dbraw/zinc/73/05/22/1164730522.db2.gz WIIUTJKESNDGKX-SSDOTTSWSA-N -1 1 291.384 1.632 20 0 CDADMM C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@H]1CCSC1 ZINC001609022520 1164730526 /nfs/dbraw/zinc/73/05/26/1164730526.db2.gz WIIUTJKESNDGKX-SSDOTTSWSA-N -1 1 291.384 1.632 20 0 CDADMM O=C([O-])c1ccc(CN2CCC([C@H]3COC(=O)N3)CC2)[nH]1 ZINC001609044429 1164739136 /nfs/dbraw/zinc/73/91/36/1164739136.db2.gz VHXNHHHMMTVBSN-GFCCVEGCSA-N -1 1 293.323 1.033 20 0 CDADMM CC(C)[C@@H]1C[C@H](Nc2cccnc2-c2nnn[n-]2)CCO1 ZINC001609091916 1164765940 /nfs/dbraw/zinc/76/59/40/1164765940.db2.gz XDHKPWZCNGMGEU-PWSUYJOCSA-N -1 1 288.355 1.877 20 0 CDADMM CC(C)[C@@H]1C[C@H](Nc2cccnc2-c2nn[n-]n2)CCO1 ZINC001609091916 1164765953 /nfs/dbraw/zinc/76/59/53/1164765953.db2.gz XDHKPWZCNGMGEU-PWSUYJOCSA-N -1 1 288.355 1.877 20 0 CDADMM C[C@@H](CC(C)(C)C)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001609109232 1164773101 /nfs/dbraw/zinc/77/31/01/1164773101.db2.gz UZAADVRXTBBVQC-VIFPVBQESA-N -1 1 260.345 1.920 20 0 CDADMM C[C@@H](CC(C)(C)C)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001609109232 1164773110 /nfs/dbraw/zinc/77/31/10/1164773110.db2.gz UZAADVRXTBBVQC-VIFPVBQESA-N -1 1 260.345 1.920 20 0 CDADMM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC001609113384 1164775896 /nfs/dbraw/zinc/77/58/96/1164775896.db2.gz QSMPTWIXQJEEGI-SSDOTTSWSA-N -1 1 261.285 1.236 20 0 CDADMM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC001609113384 1164775899 /nfs/dbraw/zinc/77/58/99/1164775899.db2.gz 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/nfs/dbraw/zinc/80/25/24/1164802524.db2.gz CGBSFBRQDYHFCG-GHMZBOCLSA-N -1 1 288.355 1.879 20 0 CDADMM C[C@@H]1C[C@H](CCNc2cccnc2-c2nn[n-]n2)CCO1 ZINC001609156119 1164802528 /nfs/dbraw/zinc/80/25/28/1164802528.db2.gz CGBSFBRQDYHFCG-GHMZBOCLSA-N -1 1 288.355 1.879 20 0 CDADMM CC[C@H](C)N(C)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609184510 1164817341 /nfs/dbraw/zinc/81/73/41/1164817341.db2.gz DHEYKOYALSNIHF-QMMMGPOBSA-N -1 1 260.301 1.132 20 0 CDADMM CC[C@H](C)N(C)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609184510 1164817352 /nfs/dbraw/zinc/81/73/52/1164817352.db2.gz DHEYKOYALSNIHF-QMMMGPOBSA-N -1 1 260.301 1.132 20 0 CDADMM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609199869 1164839696 /nfs/dbraw/zinc/83/96/96/1164839696.db2.gz HPTAUVFQFOHZGD-DTWKUNHWSA-N -1 1 275.312 1.863 20 0 CDADMM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609199869 1164839701 /nfs/dbraw/zinc/83/97/01/1164839701.db2.gz HPTAUVFQFOHZGD-DTWKUNHWSA-N -1 1 275.312 1.863 20 0 CDADMM 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/nfs/dbraw/zinc/68/64/61/1172686461.db2.gz LPZFOQKDVYFLET-UHFFFAOYSA-N -1 1 290.283 1.715 20 0 CDADMM O=C(Nc1cc(F)ccn1)c1ccsc1-c1nn[n-]n1 ZINC001582635547 1172686465 /nfs/dbraw/zinc/68/64/65/1172686465.db2.gz LPZFOQKDVYFLET-UHFFFAOYSA-N -1 1 290.283 1.715 20 0 CDADMM CC(C)(C)c1cc(NC(=O)CO)c(-c2nnn[n-]2)s1 ZINC001589215143 1173130157 /nfs/dbraw/zinc/13/01/57/1173130157.db2.gz ZCAJRPWDIAMTRI-UHFFFAOYSA-N -1 1 281.341 1.157 20 0 CDADMM CC(C)(C)c1cc(NC(=O)CO)c(-c2nn[n-]n2)s1 ZINC001589215143 1173130161 /nfs/dbraw/zinc/13/01/61/1173130161.db2.gz ZCAJRPWDIAMTRI-UHFFFAOYSA-N -1 1 281.341 1.157 20 0 CDADMM CC(C)(O)C(C)(C)CNc1cccc(-c2nnn[n-]2)n1 ZINC001589326774 1173137594 /nfs/dbraw/zinc/13/75/94/1173137594.db2.gz KBIMPNBNQSQHGF-UHFFFAOYSA-N -1 1 276.344 1.471 20 0 CDADMM CC(C)[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1nncn1C ZINC001589476521 1173149061 /nfs/dbraw/zinc/14/90/61/1173149061.db2.gz QVMCPGXDRDHVTF-LLVKDONJSA-N -1 1 299.342 1.199 20 0 CDADMM CC(C)[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1nncn1C ZINC001589476521 1173149063 /nfs/dbraw/zinc/14/90/63/1173149063.db2.gz QVMCPGXDRDHVTF-LLVKDONJSA-N -1 1 299.342 1.199 20 0 CDADMM CC(C)CCC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001589582406 1173160668 /nfs/dbraw/zinc/16/06/68/1173160668.db2.gz PWYTYRSPPKYHRM-UHFFFAOYSA-N -1 1 274.328 1.314 20 0 CDADMM CC(C)CCC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001589582406 1173160671 /nfs/dbraw/zinc/16/06/71/1173160671.db2.gz PWYTYRSPPKYHRM-UHFFFAOYSA-N -1 1 274.328 1.314 20 0 CDADMM CC(C)CN(C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001589613701 1173163583 /nfs/dbraw/zinc/16/35/83/1173163583.db2.gz FAMDWUDGLVEKSR-UHFFFAOYSA-N -1 1 294.384 1.726 20 0 CDADMM CC(C)CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589635288 1173163905 /nfs/dbraw/zinc/16/39/05/1173163905.db2.gz XWNXPGBEQZLOLO-UHFFFAOYSA-N -1 1 261.289 1.039 20 0 CDADMM CC(C)CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589635288 1173163909 /nfs/dbraw/zinc/16/39/09/1173163909.db2.gz XWNXPGBEQZLOLO-UHFFFAOYSA-N -1 1 261.289 1.039 20 0 CDADMM CC(C)c1nn(C)cc1Nc1cccc(-c2nnn[n-]2)n1 ZINC001589777737 1173179194 /nfs/dbraw/zinc/17/91/94/1173179194.db2.gz NHUNSNTTXWKWJJ-UHFFFAOYSA-N -1 1 284.327 1.862 20 0 CDADMM CC(C)c1nn(C)cc1Nc1cccc(-c2nn[n-]n2)n1 ZINC001589777737 1173179198 /nfs/dbraw/zinc/17/91/98/1173179198.db2.gz NHUNSNTTXWKWJJ-UHFFFAOYSA-N -1 1 284.327 1.862 20 0 CDADMM C[C@@H](C1CC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589787160 1173180761 /nfs/dbraw/zinc/18/07/61/1173180761.db2.gz QTODWQAIAARRFK-ZETCQYMHSA-N -1 1 261.285 1.330 20 0 CDADMM C[C@@H](C1CC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589787160 1173180757 /nfs/dbraw/zinc/18/07/57/1173180757.db2.gz QTODWQAIAARRFK-ZETCQYMHSA-N -1 1 261.285 1.330 20 0 CDADMM C[C@H](CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001589793173 1173181186 /nfs/dbraw/zinc/18/11/86/1173181186.db2.gz OMMYMIOKJPIKPX-SECBINFHSA-N -1 1 286.339 1.314 20 0 CDADMM C[C@H](CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001589793173 1173181191 /nfs/dbraw/zinc/18/11/91/1173181191.db2.gz OMMYMIOKJPIKPX-SECBINFHSA-N -1 1 286.339 1.314 20 0 CDADMM C[C@@](O)(CNc1cccnc1-c1nnn[n-]1)c1ccco1 ZINC001589989327 1173224932 /nfs/dbraw/zinc/22/49/32/1173224932.db2.gz CFMPAUAKQOCSAF-CYBMUJFWSA-N -1 1 286.295 1.174 20 0 CDADMM C[C@@](O)(CNc1cccnc1-c1nn[n-]n1)c1ccco1 ZINC001589989327 1173224935 /nfs/dbraw/zinc/22/49/35/1173224935.db2.gz CFMPAUAKQOCSAF-CYBMUJFWSA-N -1 1 286.295 1.174 20 0 CDADMM C[C@@H](O)CCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001589999445 1173232123 /nfs/dbraw/zinc/23/21/23/1173232123.db2.gz RLLDUHRKFIRKTE-SNVBAGLBSA-N -1 1 298.350 1.988 20 0 CDADMM C[C@@H](O)CCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001589999445 1173232127 /nfs/dbraw/zinc/23/21/27/1173232127.db2.gz RLLDUHRKFIRKTE-SNVBAGLBSA-N -1 1 298.350 1.988 20 0 CDADMM C[C@@]1(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CCCOC1 ZINC001590071002 1173244337 /nfs/dbraw/zinc/24/43/37/1173244337.db2.gz PVRKVKSLLKWDIW-CYBMUJFWSA-N -1 1 288.311 1.017 20 0 CDADMM C[C@@]1(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CCCOC1 ZINC001590071002 1173244341 /nfs/dbraw/zinc/24/43/41/1173244341.db2.gz PVRKVKSLLKWDIW-CYBMUJFWSA-N -1 1 288.311 1.017 20 0 CDADMM CC1(C)CC(NC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590083097 1173248493 /nfs/dbraw/zinc/24/84/93/1173248493.db2.gz PFOBFRCXAQATRI-UHFFFAOYSA-N -1 1 272.312 1.180 20 0 CDADMM CC1(C)CC(NC(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590083097 1173248499 /nfs/dbraw/zinc/24/84/99/1173248499.db2.gz PFOBFRCXAQATRI-UHFFFAOYSA-N -1 1 272.312 1.180 20 0 CDADMM CC1(C)CC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590093832 1173253811 /nfs/dbraw/zinc/25/38/11/1173253811.db2.gz YIQNUNXCVCWJCD-SNVBAGLBSA-N -1 1 272.312 1.180 20 0 CDADMM CC1(C)CC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590093832 1173253815 /nfs/dbraw/zinc/25/38/15/1173253815.db2.gz YIQNUNXCVCWJCD-SNVBAGLBSA-N -1 1 272.312 1.180 20 0 CDADMM CC1(C)CCC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)O1 ZINC001590095142 1173255851 /nfs/dbraw/zinc/25/58/51/1173255851.db2.gz XAHHXYLZTYKUSW-VIFPVBQESA-N -1 1 289.343 1.416 20 0 CDADMM CC1(C)CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)O1 ZINC001590095142 1173255856 /nfs/dbraw/zinc/25/58/56/1173255856.db2.gz XAHHXYLZTYKUSW-VIFPVBQESA-N -1 1 289.343 1.416 20 0 CDADMM CC1(C)CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001590107773 1173259286 /nfs/dbraw/zinc/25/92/86/1173259286.db2.gz DIMJDSPELFNIOM-UHFFFAOYSA-N -1 1 264.720 1.761 20 0 CDADMM CC1(C)CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001590107773 1173259293 /nfs/dbraw/zinc/25/92/93/1173259293.db2.gz DIMJDSPELFNIOM-UHFFFAOYSA-N -1 1 264.720 1.761 20 0 CDADMM C[C@@H]1C[C@@H]1CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590221853 1173301827 /nfs/dbraw/zinc/30/18/27/1173301827.db2.gz UPDGGDJFSGQYSA-RNFRBKRXSA-N -1 1 263.326 1.314 20 0 CDADMM C[C@H]1CCN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001590276881 1173337144 /nfs/dbraw/zinc/33/71/44/1173337144.db2.gz OQMSOMWPBVEUEG-BYPYZUCNSA-N -1 1 256.722 1.575 20 0 CDADMM CC[C@H](C)CN(C)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590411551 1173398341 /nfs/dbraw/zinc/39/83/41/1173398341.db2.gz ZRMOXKHYBUQWBY-VIFPVBQESA-N -1 1 274.328 1.380 20 0 CDADMM CC[C@H](C)CN(C)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590411551 1173398346 /nfs/dbraw/zinc/39/83/46/1173398346.db2.gz ZRMOXKHYBUQWBY-VIFPVBQESA-N -1 1 274.328 1.380 20 0 CDADMM CC[C@H](Nc1cccc(-c2nnn[n-]2)n1)C(C)(C)O ZINC001590473036 1173424649 /nfs/dbraw/zinc/42/46/49/1173424649.db2.gz KHLIYOFTKZVOEG-VIFPVBQESA-N -1 1 262.317 1.223 20 0 CDADMM CC[C@H](Nc1cccc(-c2nn[n-]n2)n1)C(C)(C)O ZINC001590473036 1173424657 /nfs/dbraw/zinc/42/46/57/1173424657.db2.gz KHLIYOFTKZVOEG-VIFPVBQESA-N -1 1 262.317 1.223 20 0 CDADMM CC[C@H]1CCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590515088 1173445406 /nfs/dbraw/zinc/44/54/06/1173445406.db2.gz VWBGKIMUXOYXMB-VIFPVBQESA-N -1 1 287.327 1.526 20 0 CDADMM CC[C@H]1CCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590515088 1173445414 /nfs/dbraw/zinc/44/54/14/1173445414.db2.gz VWBGKIMUXOYXMB-VIFPVBQESA-N -1 1 287.327 1.526 20 0 CDADMM CCC[C@@H](OC)C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001590561208 1173463793 /nfs/dbraw/zinc/46/37/93/1173463793.db2.gz VDEKZBGARWSSMA-SECBINFHSA-N -1 1 296.352 1.787 20 0 CDADMM CCC[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)CCO1 ZINC001590569086 1173465904 /nfs/dbraw/zinc/46/59/04/1173465904.db2.gz MXDQHOUTHXLEAT-SECBINFHSA-N -1 1 294.384 1.637 20 0 CDADMM CCOCCCCNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590810836 1173515221 /nfs/dbraw/zinc/51/52/21/1173515221.db2.gz MEJBHOSKXUHVFI-UHFFFAOYSA-N -1 1 279.300 1.006 20 0 CDADMM CCOCCCCNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590810836 1173515226 /nfs/dbraw/zinc/51/52/26/1173515226.db2.gz MEJBHOSKXUHVFI-UHFFFAOYSA-N -1 1 279.300 1.006 20 0 CDADMM CCOc1cc(Oc2cccnc2-c2nnn[n-]2)ncn1 ZINC001590828394 1173525282 /nfs/dbraw/zinc/52/52/82/1173525282.db2.gz LBOCSJYBWNWGKY-UHFFFAOYSA-N -1 1 285.267 1.243 20 0 CDADMM CCOc1cc(Oc2cccnc2-c2nn[n-]n2)ncn1 ZINC001590828394 1173525288 /nfs/dbraw/zinc/52/52/88/1173525288.db2.gz LBOCSJYBWNWGKY-UHFFFAOYSA-N -1 1 285.267 1.243 20 0 CDADMM CCO[C@H]1CCN(c2nc(-c3nnn[n-]3)ccc2C)C1 ZINC001590823624 1173526263 /nfs/dbraw/zinc/52/62/63/1173526263.db2.gz ZFGLILAPBVCMAO-JTQLQIEISA-N -1 1 274.328 1.185 20 0 CDADMM CN(CC1CCCCC1)c1ncncc1-c1nn[n-]n1 ZINC001591055393 1173568249 /nfs/dbraw/zinc/56/82/49/1173568249.db2.gz GUVMUBMGOJDQHR-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM CN(C[C@@H]1CCCCO1)c1cccnc1-c1nnn[n-]1 ZINC001591056920 1173568864 /nfs/dbraw/zinc/56/88/64/1173568864.db2.gz URRQHJBFJVKTLC-JTQLQIEISA-N -1 1 274.328 1.267 20 0 CDADMM CN(C[C@@H]1CCCCO1)c1cccnc1-c1nn[n-]n1 ZINC001591056920 1173568868 /nfs/dbraw/zinc/56/88/68/1173568868.db2.gz URRQHJBFJVKTLC-JTQLQIEISA-N -1 1 274.328 1.267 20 0 CDADMM CN(c1nc(Cl)c(-c2nnn[n-]2)s1)C1CCC1 ZINC001591159452 1173585432 /nfs/dbraw/zinc/58/54/32/1173585432.db2.gz JEVSXYUNNRRNOI-UHFFFAOYSA-N -1 1 270.749 1.965 20 0 CDADMM CN(c1nc(Cl)c(-c2nn[n-]n2)s1)C1CCC1 ZINC001591159452 1173585437 /nfs/dbraw/zinc/58/54/37/1173585437.db2.gz JEVSXYUNNRRNOI-UHFFFAOYSA-N -1 1 270.749 1.965 20 0 CDADMM COC(C)(C)CCNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001591316823 1173603884 /nfs/dbraw/zinc/60/38/84/1173603884.db2.gz QKYZLRXNTOZUHM-UHFFFAOYSA-N -1 1 295.368 1.473 20 0 CDADMM COC(C)(C)CCNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001591316823 1173603886 /nfs/dbraw/zinc/60/38/86/1173603886.db2.gz QKYZLRXNTOZUHM-UHFFFAOYSA-N -1 1 295.368 1.473 20 0 CDADMM COC1(C(=O)OCc2ccc(-c3nnn[n-]3)o2)CCC1 ZINC001591336507 1173616651 /nfs/dbraw/zinc/61/66/51/1173616651.db2.gz AUIIMCRQRNENLK-UHFFFAOYSA-N -1 1 278.268 1.072 20 0 CDADMM COC1(C(=O)OCc2ccc(-c3nn[n-]n3)o2)CCC1 ZINC001591336507 1173616656 /nfs/dbraw/zinc/61/66/56/1173616656.db2.gz AUIIMCRQRNENLK-UHFFFAOYSA-N -1 1 278.268 1.072 20 0 CDADMM COCC(C)(C)CCNc1cc(-c2nnn[n-]2)ncn1 ZINC001591369340 1173633796 /nfs/dbraw/zinc/63/37/96/1173633796.db2.gz LXDSZGQGKQHCEB-UHFFFAOYSA-N -1 1 277.332 1.131 20 0 CDADMM COCC(C)(C)CCNc1cc(-c2nn[n-]n2)ncn1 ZINC001591369340 1173633801 /nfs/dbraw/zinc/63/38/01/1173633801.db2.gz LXDSZGQGKQHCEB-UHFFFAOYSA-N -1 1 277.332 1.131 20 0 CDADMM COCC1(CNc2cc(C)nc(-c3nnn[n-]3)c2)CC1 ZINC001591389624 1173642843 /nfs/dbraw/zinc/64/28/43/1173642843.db2.gz PMBMZJPHVPWUSS-UHFFFAOYSA-N -1 1 274.328 1.409 20 0 CDADMM COCC1(CNc2cc(C)nc(-c3nn[n-]n3)c2)CC1 ZINC001591389624 1173642846 /nfs/dbraw/zinc/64/28/46/1173642846.db2.gz PMBMZJPHVPWUSS-UHFFFAOYSA-N -1 1 274.328 1.409 20 0 CDADMM CO[C@H](C)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001591474136 1173658849 /nfs/dbraw/zinc/65/88/49/1173658849.db2.gz YNVBYOZWQVHLMG-ZCFIWIBFSA-N -1 1 268.708 1.362 20 0 CDADMM CO[C@H](C)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001591474136 1173658853 /nfs/dbraw/zinc/65/88/53/1173658853.db2.gz YNVBYOZWQVHLMG-ZCFIWIBFSA-N -1 1 268.708 1.362 20 0 CDADMM COc1c(C)cccc1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001591480123 1173659989 /nfs/dbraw/zinc/65/99/89/1173659989.db2.gz UJPNFFVXLXJIPP-UHFFFAOYSA-N -1 1 296.334 1.613 20 0 CDADMM COc1c(C)cccc1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001591480123 1173659992 /nfs/dbraw/zinc/65/99/92/1173659992.db2.gz UJPNFFVXLXJIPP-UHFFFAOYSA-N -1 1 296.334 1.613 20 0 CDADMM COc1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)ccn1 ZINC001591546305 1173666722 /nfs/dbraw/zinc/66/67/22/1173666722.db2.gz HSDWWVIOSNRGIZ-UHFFFAOYSA-N -1 1 286.251 1.116 20 0 CDADMM COc1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)ccn1 ZINC001591546305 1173666727 /nfs/dbraw/zinc/66/67/27/1173666727.db2.gz HSDWWVIOSNRGIZ-UHFFFAOYSA-N -1 1 286.251 1.116 20 0 CDADMM CSC(C)(C)COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591684784 1173679399 /nfs/dbraw/zinc/67/93/99/1173679399.db2.gz AZDQXSPMZJKMRT-UHFFFAOYSA-N -1 1 293.352 1.560 20 0 CDADMM CSC(C)(C)COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591684784 1173679402 /nfs/dbraw/zinc/67/94/02/1173679402.db2.gz AZDQXSPMZJKMRT-UHFFFAOYSA-N -1 1 293.352 1.560 20 0 CDADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591753089 1173694579 /nfs/dbraw/zinc/69/45/79/1173694579.db2.gz DPNKJLBRGSMZFB-CZULRBLNSA-N -1 1 256.313 1.140 20 0 CDADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591753089 1173694581 /nfs/dbraw/zinc/69/45/81/1173694581.db2.gz DPNKJLBRGSMZFB-CZULRBLNSA-N -1 1 256.313 1.140 20 0 CDADMM C[C@@H]1[C@@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1(F)F ZINC001591753660 1173696168 /nfs/dbraw/zinc/69/61/68/1173696168.db2.gz PQSXLFVWQWHOOT-MUWHJKNJSA-N -1 1 295.249 1.206 20 0 CDADMM C[C@@H]1[C@@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1(F)F ZINC001591753660 1173696174 /nfs/dbraw/zinc/69/61/74/1173696174.db2.gz PQSXLFVWQWHOOT-MUWHJKNJSA-N -1 1 295.249 1.206 20 0 CDADMM C[C@H]1C[C@@H]1C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001591775099 1173700087 /nfs/dbraw/zinc/70/00/87/1173700087.db2.gz MQVNEZNWHKKUPU-IUCAKERBSA-N -1 1 284.323 1.197 20 0 CDADMM C[C@H]1C[C@@H]1C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001591775099 1173700092 /nfs/dbraw/zinc/70/00/92/1173700092.db2.gz MQVNEZNWHKKUPU-IUCAKERBSA-N -1 1 284.323 1.197 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC(C)(C)[C@H]3CCC[C@H]32)n1 ZINC001591884178 1173738556 /nfs/dbraw/zinc/73/85/56/1173738556.db2.gz RPTXSXQJVZZGMX-CMPLNLGQSA-N -1 1 299.382 1.980 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC(C)(C)[C@H]3CCC[C@H]32)n1 ZINC001591884178 1173738561 /nfs/dbraw/zinc/73/85/61/1173738561.db2.gz RPTXSXQJVZZGMX-CMPLNLGQSA-N -1 1 299.382 1.980 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CCCC[C@@H]32)n1 ZINC001591890203 1173740146 /nfs/dbraw/zinc/74/01/46/1173740146.db2.gz PMVGHIXXMJEUPH-ONGXEEELSA-N -1 1 271.328 1.344 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CCCC[C@@H]32)n1 ZINC001591890203 1173740149 /nfs/dbraw/zinc/74/01/49/1173740149.db2.gz PMVGHIXXMJEUPH-ONGXEEELSA-N -1 1 271.328 1.344 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](C)n3ccnc32)n1 ZINC001591892600 1173741301 /nfs/dbraw/zinc/74/13/01/1173741301.db2.gz VERQNPAXWZYQOY-WPRPVWTQSA-N -1 1 297.326 1.280 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](C)n3ccnc32)n1 ZINC001591892600 1173741310 /nfs/dbraw/zinc/74/13/10/1173741310.db2.gz VERQNPAXWZYQOY-WPRPVWTQSA-N -1 1 297.326 1.280 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCC(C)(C)O2)n1 ZINC001591895041 1173742693 /nfs/dbraw/zinc/74/26/93/1173742693.db2.gz NVZDDVAPXWFCCH-VIFPVBQESA-N -1 1 289.343 1.335 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCC(C)(C)O2)n1 ZINC001591895041 1173742698 /nfs/dbraw/zinc/74/26/98/1173742698.db2.gz NVZDDVAPXWFCCH-VIFPVBQESA-N -1 1 289.343 1.335 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H]2c2cccnc2)n1 ZINC001591902720 1173743477 /nfs/dbraw/zinc/74/34/77/1173743477.db2.gz PMPPJRXYQZLSPY-MNOVXSKESA-N -1 1 294.322 1.328 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H]2c2cccnc2)n1 ZINC001591902720 1173743484 /nfs/dbraw/zinc/74/34/84/1173743484.db2.gz PMPPJRXYQZLSPY-MNOVXSKESA-N -1 1 294.322 1.328 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCS2)n1 ZINC001591896397 1173744100 /nfs/dbraw/zinc/74/41/00/1173744100.db2.gz FRWYXIJILGGJFP-QMMMGPOBSA-N -1 1 277.357 1.273 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCS2)n1 ZINC001591896397 1173744106 /nfs/dbraw/zinc/74/41/06/1173744106.db2.gz FRWYXIJILGGJFP-QMMMGPOBSA-N -1 1 277.357 1.273 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCc2ccc(C)c(C)n2)n1 ZINC001591900602 1173745336 /nfs/dbraw/zinc/74/53/36/1173745336.db2.gz BFXPNSYZNNBKPX-UHFFFAOYSA-N -1 1 296.338 1.589 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCc2ccc(C)c(C)n2)n1 ZINC001591900602 1173745341 /nfs/dbraw/zinc/74/53/41/1173745341.db2.gz BFXPNSYZNNBKPX-UHFFFAOYSA-N -1 1 296.338 1.589 20 0 CDADMM Cc1cc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)n(C)n1 ZINC001591969549 1173759261 /nfs/dbraw/zinc/75/92/61/1173759261.db2.gz DCLFWGICTJSEPK-UHFFFAOYSA-N -1 1 299.342 1.121 20 0 CDADMM Cc1cc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)n(C)n1 ZINC001591969549 1173759266 /nfs/dbraw/zinc/75/92/66/1173759266.db2.gz DCLFWGICTJSEPK-UHFFFAOYSA-N -1 1 299.342 1.121 20 0 CDADMM Cc1cc(N[C@@H]2CCCC[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592037095 1173781132 /nfs/dbraw/zinc/78/11/32/1173781132.db2.gz JSFZCYLVBXJYMU-BXKDBHETSA-N -1 1 272.356 1.983 20 0 CDADMM Cc1cc(N[C@@H]2CCCC[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592037095 1173781137 /nfs/dbraw/zinc/78/11/37/1173781137.db2.gz JSFZCYLVBXJYMU-BXKDBHETSA-N -1 1 272.356 1.983 20 0 CDADMM Cc1cc(NC[C@@H]2C=CCC2)nc(-c2nnn[n-]2)c1 ZINC001592043787 1173784021 /nfs/dbraw/zinc/78/40/21/1173784021.db2.gz KTBKGZGFIUUXLX-SNVBAGLBSA-N -1 1 256.313 1.948 20 0 CDADMM Cc1cc(NC[C@@H]2C=CCC2)nc(-c2nn[n-]n2)c1 ZINC001592043787 1173784023 /nfs/dbraw/zinc/78/40/23/1173784023.db2.gz KTBKGZGFIUUXLX-SNVBAGLBSA-N -1 1 256.313 1.948 20 0 CDADMM Cc1cc(NC[C@H]2CCC[C@H](C)O2)cc(-c2nnn[n-]2)n1 ZINC001592043176 1173785003 /nfs/dbraw/zinc/78/50/03/1173785003.db2.gz CNUSEMHYKGHDEB-CMPLNLGQSA-N -1 1 288.355 1.940 20 0 CDADMM Cc1cc(NC[C@H]2CCC[C@H](C)O2)cc(-c2nn[n-]n2)n1 ZINC001592043176 1173785008 /nfs/dbraw/zinc/78/50/08/1173785008.db2.gz CNUSEMHYKGHDEB-CMPLNLGQSA-N -1 1 288.355 1.940 20 0 CDADMM Cc1ocnc1CNc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001592053620 1173789565 /nfs/dbraw/zinc/78/95/65/1173789565.db2.gz LZMMSIDJXQLSFS-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1ocnc1CNc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001592053620 1173789568 /nfs/dbraw/zinc/78/95/68/1173789568.db2.gz LZMMSIDJXQLSFS-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1ccc(-c2noc(-c3cccc(-c4nnn[n-]4)n3)n2)o1 ZINC001592112651 1173802811 /nfs/dbraw/zinc/80/28/11/1173802811.db2.gz QEOYFZSQCZHJFE-UHFFFAOYSA-N -1 1 295.262 1.880 20 0 CDADMM Cc1ccc(-c2noc(-c3cccc(-c4nn[n-]n4)n3)n2)o1 ZINC001592112651 1173802815 /nfs/dbraw/zinc/80/28/15/1173802815.db2.gz QEOYFZSQCZHJFE-UHFFFAOYSA-N -1 1 295.262 1.880 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H]1CCO[C@H](C)C1 ZINC001592114046 1173805451 /nfs/dbraw/zinc/80/54/51/1173805451.db2.gz MVFFLENJZGTJIR-MNOVXSKESA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(F)cc1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592173182 1173820381 /nfs/dbraw/zinc/82/03/81/1173820381.db2.gz BGTVCYVXDHROSR-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1ccc(F)cc1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592173182 1173820385 /nfs/dbraw/zinc/82/03/85/1173820385.db2.gz BGTVCYVXDHROSR-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)nc1C ZINC001592166919 1173820412 /nfs/dbraw/zinc/82/04/12/1173820412.db2.gz OPOAIFZUZUYIPX-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)nc1C ZINC001592166919 1173820419 /nfs/dbraw/zinc/82/04/19/1173820419.db2.gz OPOAIFZUZUYIPX-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1ccc(F)c(C(=O)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001592172751 1173820757 /nfs/dbraw/zinc/82/07/57/1173820757.db2.gz UAOXVHBALUEKNF-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1ccc(F)c(C(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001592172751 1173820762 /nfs/dbraw/zinc/82/07/62/1173820762.db2.gz UAOXVHBALUEKNF-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1ccc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)o1 ZINC001592166341 1173821760 /nfs/dbraw/zinc/82/17/60/1173821760.db2.gz GFBMDZNJJOGMND-UHFFFAOYSA-N -1 1 285.311 1.981 20 0 CDADMM Cc1ccc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)o1 ZINC001592166341 1173821765 /nfs/dbraw/zinc/82/17/65/1173821765.db2.gz GFBMDZNJJOGMND-UHFFFAOYSA-N -1 1 285.311 1.981 20 0 CDADMM Cc1ccc(N2CC[C@@H]3COC[C@@H]3C2)c(-c2nnn[n-]2)n1 ZINC001592177573 1173825455 /nfs/dbraw/zinc/82/54/55/1173825455.db2.gz BOBYHYICWLEQFI-MNOVXSKESA-N -1 1 286.339 1.043 20 0 CDADMM Cc1ccc(N2CC[C@@H]3COC[C@@H]3C2)c(-c2nn[n-]n2)n1 ZINC001592177573 1173825460 /nfs/dbraw/zinc/82/54/60/1173825460.db2.gz BOBYHYICWLEQFI-MNOVXSKESA-N -1 1 286.339 1.043 20 0 CDADMM Cc1ccc(NC[C@@H](O)CC(C)C)nc1-c1nnn[n-]1 ZINC001592182964 1173825512 /nfs/dbraw/zinc/82/55/12/1173825512.db2.gz HNLASXGWRFSSNR-JTQLQIEISA-N -1 1 276.344 1.389 20 0 CDADMM Cc1ccc(NC[C@@H](O)CC(C)C)nc1-c1nn[n-]n1 ZINC001592182964 1173825516 /nfs/dbraw/zinc/82/55/16/1173825516.db2.gz HNLASXGWRFSSNR-JTQLQIEISA-N -1 1 276.344 1.389 20 0 CDADMM Cc1ccc(NC[C@H]2CC[C@H](O)C2)c(-c2nnn[n-]2)n1 ZINC001592182837 1173825781 /nfs/dbraw/zinc/82/57/81/1173825781.db2.gz BHWUVVAJUROHHF-UWVGGRQHSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1ccc(NC[C@H]2CC[C@H](O)C2)c(-c2nn[n-]n2)n1 ZINC001592182837 1173825784 /nfs/dbraw/zinc/82/57/84/1173825784.db2.gz BHWUVVAJUROHHF-UWVGGRQHSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@@H](C)O[C@H]2C)nc1-c1nnn[n-]1 ZINC001592183273 1173828117 /nfs/dbraw/zinc/82/81/17/1173828117.db2.gz CFFPXNDVVZNYCZ-KXUCPTDWSA-N -1 1 274.328 1.548 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@@H](C)O[C@H]2C)nc1-c1nn[n-]n1 ZINC001592183273 1173828123 /nfs/dbraw/zinc/82/81/23/1173828123.db2.gz CFFPXNDVVZNYCZ-KXUCPTDWSA-N -1 1 274.328 1.548 20 0 CDADMM Cc1c(CNc2ccc(C)c(-c3nnn[n-]3)n2)cnn1C ZINC001592184285 1173828547 /nfs/dbraw/zinc/82/85/47/1173828547.db2.gz FFRKUPXTJARARV-UHFFFAOYSA-N -1 1 284.327 1.224 20 0 CDADMM Cc1c(CNc2ccc(C)c(-c3nn[n-]n3)n2)cnn1C ZINC001592184285 1173828553 /nfs/dbraw/zinc/82/85/53/1173828553.db2.gz FFRKUPXTJARARV-UHFFFAOYSA-N -1 1 284.327 1.224 20 0 CDADMM Cc1ccc(NC[C@@H](C)CCO)c(-c2nnn[n-]2)n1 ZINC001592183786 1173828599 /nfs/dbraw/zinc/82/85/99/1173828599.db2.gz XMTDGJHCXYOAHD-QMMMGPOBSA-N -1 1 262.317 1.001 20 0 CDADMM Cc1ccc(NC[C@@H](C)CCO)c(-c2nn[n-]n2)n1 ZINC001592183786 1173828606 /nfs/dbraw/zinc/82/86/06/1173828606.db2.gz XMTDGJHCXYOAHD-QMMMGPOBSA-N -1 1 262.317 1.001 20 0 CDADMM Cc1ccc(N[C@H](C)C2(CO)CC2)nc1-c1nnn[n-]1 ZINC001592184868 1173829245 /nfs/dbraw/zinc/82/92/45/1173829245.db2.gz XEFHGTNUYBPILG-SECBINFHSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1ccc(N[C@H](C)C2(CO)CC2)nc1-c1nn[n-]n1 ZINC001592184868 1173829250 /nfs/dbraw/zinc/82/92/50/1173829250.db2.gz XEFHGTNUYBPILG-SECBINFHSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1ccn(C[Si](C)(C)C)c(=O)c1-c1nn[n-]n1 ZINC001592267151 1173837783 /nfs/dbraw/zinc/83/77/83/1173837783.db2.gz NNVRQFNEUXQLSA-UHFFFAOYSA-N -1 1 263.377 1.214 20 0 CDADMM Cc1ccccc1OCCn1cc(-c2nn[n-]n2)ccc1=O ZINC001592260176 1173839659 /nfs/dbraw/zinc/83/96/59/1173839659.db2.gz LTIMZAMBWBLMGM-UHFFFAOYSA-N -1 1 297.318 1.416 20 0 CDADMM Cc1cnc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)s1 ZINC001592294147 1173849768 /nfs/dbraw/zinc/84/97/68/1173849768.db2.gz ZBCMGSXKXSYWKG-UHFFFAOYSA-N -1 1 290.308 1.785 20 0 CDADMM Cc1cnc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)s1 ZINC001592294147 1173849772 /nfs/dbraw/zinc/84/97/72/1173849772.db2.gz ZBCMGSXKXSYWKG-UHFFFAOYSA-N -1 1 290.308 1.785 20 0 CDADMM Cc1nc(NCC2(C(F)(F)F)CC2)cc(-c2nnn[n-]2)n1 ZINC001592385789 1173876205 /nfs/dbraw/zinc/87/62/05/1173876205.db2.gz HPEJAQGUVMQLHH-UHFFFAOYSA-N -1 1 299.260 1.720 20 0 CDADMM Cc1nc(NCC2(C(F)(F)F)CC2)cc(-c2nn[n-]n2)n1 ZINC001592385789 1173876209 /nfs/dbraw/zinc/87/62/09/1173876209.db2.gz HPEJAQGUVMQLHH-UHFFFAOYSA-N -1 1 299.260 1.720 20 0 CDADMM Cc1ncoc1-c1noc(-c2cc(-c3nnn[n-]3)oc2C)n1 ZINC001592420945 1173886621 /nfs/dbraw/zinc/88/66/21/1173886621.db2.gz BJKXZXFDIBCNEL-UHFFFAOYSA-N -1 1 299.250 1.782 20 0 CDADMM Cc1ncoc1-c1noc(-c2cc(-c3nn[n-]n3)oc2C)n1 ZINC001592420945 1173886625 /nfs/dbraw/zinc/88/66/25/1173886625.db2.gz BJKXZXFDIBCNEL-UHFFFAOYSA-N -1 1 299.250 1.782 20 0 CDADMM Cc1ncsc1CCNc1ncncc1-c1nn[n-]n1 ZINC001592425242 1173887584 /nfs/dbraw/zinc/88/75/84/1173887584.db2.gz XQAOXFKCYXFROL-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@H]1COC(C)(C)C1 ZINC001592502696 1173908375 /nfs/dbraw/zinc/90/83/75/1173908375.db2.gz VTLIRBAAJJWBIC-MRVPVSSYSA-N -1 1 292.295 1.492 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@H]1COC(C)(C)C1 ZINC001592502696 1173908380 /nfs/dbraw/zinc/90/83/80/1173908380.db2.gz VTLIRBAAJJWBIC-MRVPVSSYSA-N -1 1 292.295 1.492 20 0 CDADMM Clc1ccc(N[C@@H]2C[C@H]3CC[C@@H]2O3)nc1-c1nnn[n-]1 ZINC001592531826 1173913884 /nfs/dbraw/zinc/91/38/84/1173913884.db2.gz APLRUXFDLDXGRT-VDAHYXPESA-N -1 1 292.730 1.647 20 0 CDADMM Clc1ccc(N[C@@H]2C[C@H]3CC[C@@H]2O3)nc1-c1nn[n-]n1 ZINC001592531826 1173913885 /nfs/dbraw/zinc/91/38/85/1173913885.db2.gz APLRUXFDLDXGRT-VDAHYXPESA-N -1 1 292.730 1.647 20 0 CDADMM FC(F)[C@@H]1CCN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001592625741 1173933867 /nfs/dbraw/zinc/93/38/67/1173933867.db2.gz XPVXEPNPDLTQIU-VKHMYHEASA-N -1 1 292.702 1.820 20 0 CDADMM FC1(F)CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592630931 1173941663 /nfs/dbraw/zinc/94/16/63/1173941663.db2.gz UPCBXQJFFDKBDX-ZETCQYMHSA-N -1 1 281.270 1.504 20 0 CDADMM FC1(F)CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592630931 1173941670 /nfs/dbraw/zinc/94/16/70/1173941670.db2.gz UPCBXQJFFDKBDX-ZETCQYMHSA-N -1 1 281.270 1.504 20 0 CDADMM Fc1cccc([C@@H]2CCN2c2cncc(-c3nnn[n-]3)n2)c1 ZINC001592653855 1173955307 /nfs/dbraw/zinc/95/53/07/1173955307.db2.gz DQVBYSPFDPFHQJ-LBPRGKRZSA-N -1 1 297.297 1.747 20 0 CDADMM Fc1cccc([C@@H]2CCN2c2cncc(-c3nn[n-]n3)n2)c1 ZINC001592653855 1173955312 /nfs/dbraw/zinc/95/53/12/1173955312.db2.gz DQVBYSPFDPFHQJ-LBPRGKRZSA-N -1 1 297.297 1.747 20 0 CDADMM O=C(C[C@@H]1CCC(F)(F)C1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592817747 1173995600 /nfs/dbraw/zinc/99/56/00/1173995600.db2.gz FACPIOFPZXMJAF-LURJTMIESA-N -1 1 297.269 1.354 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Oc1ccccc1 ZINC001592914712 1174004817 /nfs/dbraw/zinc/00/48/17/1174004817.db2.gz IAOURYAWPWBCPT-UHFFFAOYSA-N -1 1 281.275 1.410 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Oc1ccccc1 ZINC001592914712 1174004825 /nfs/dbraw/zinc/00/48/25/1174004825.db2.gz IAOURYAWPWBCPT-UHFFFAOYSA-N -1 1 281.275 1.410 20 0 CDADMM O=C(NCC[C@H]1CC1(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC001593059786 1174019154 /nfs/dbraw/zinc/01/91/54/1174019154.db2.gz DVDDCBVOZHLCRJ-LURJTMIESA-N -1 1 299.306 1.703 20 0 CDADMM O=C(NCC[C@H]1CC1(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC001593059786 1174019158 /nfs/dbraw/zinc/01/91/58/1174019158.db2.gz DVDDCBVOZHLCRJ-LURJTMIESA-N -1 1 299.306 1.703 20 0 CDADMM O=C(NCCC[C@H]1C=CCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593066772 1174022030 /nfs/dbraw/zinc/02/20/30/1174022030.db2.gz LSBNRBZSVVSWQY-NSHDSACASA-N -1 1 298.350 1.738 20 0 CDADMM O=C(NCCC[C@H]1C=CCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593066772 1174022040 /nfs/dbraw/zinc/02/20/40/1174022040.db2.gz LSBNRBZSVVSWQY-NSHDSACASA-N -1 1 298.350 1.738 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(C(F)F)o1 ZINC001593197627 1174030899 /nfs/dbraw/zinc/03/08/99/1174030899.db2.gz OBYLOGRLQATSPX-UHFFFAOYSA-N -1 1 295.209 1.373 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(C(F)F)o1 ZINC001593197627 1174030907 /nfs/dbraw/zinc/03/09/07/1174030907.db2.gz OBYLOGRLQATSPX-UHFFFAOYSA-N -1 1 295.209 1.373 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1C[C@H]1C1CCC1 ZINC001593245041 1174039082 /nfs/dbraw/zinc/03/90/82/1174039082.db2.gz DQIMTJQGCVYCNC-VHSXEESVSA-N -1 1 284.323 1.636 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1C[C@H]1C1CCC1 ZINC001593245041 1174039088 /nfs/dbraw/zinc/03/90/88/1174039088.db2.gz DQIMTJQGCVYCNC-VHSXEESVSA-N -1 1 284.323 1.636 20 0 CDADMM O=C(Nc1ccsc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593256629 1174041910 /nfs/dbraw/zinc/04/19/10/1174041910.db2.gz FMWHOATZAAQSCS-UHFFFAOYSA-N -1 1 272.293 1.576 20 0 CDADMM O=C(Nc1ccsc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593256629 1174041917 /nfs/dbraw/zinc/04/19/17/1174041917.db2.gz FMWHOATZAAQSCS-UHFFFAOYSA-N -1 1 272.293 1.576 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001593256729 1174042203 /nfs/dbraw/zinc/04/22/03/1174042203.db2.gz XVFBHLBQBDLLRH-LPEHRKFASA-N -1 1 299.338 1.572 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001593256729 1174042208 /nfs/dbraw/zinc/04/22/08/1174042208.db2.gz XVFBHLBQBDLLRH-LPEHRKFASA-N -1 1 299.338 1.572 20 0 CDADMM O=C(O[C@H]1C=CCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593280837 1174048475 /nfs/dbraw/zinc/04/84/75/1174048475.db2.gz AWSACLJAFBNEGH-VIFPVBQESA-N -1 1 257.253 1.137 20 0 CDADMM O=C(O[C@H]1C=CCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593280837 1174048482 /nfs/dbraw/zinc/04/84/82/1174048482.db2.gz AWSACLJAFBNEGH-VIFPVBQESA-N -1 1 257.253 1.137 20 0 CDADMM O=C(OCCCCCCF)c1ccc(-c2nnn[n-]2)nc1 ZINC001593288085 1174053922 /nfs/dbraw/zinc/05/39/22/1174053922.db2.gz SZYCJQWSDVTFHD-UHFFFAOYSA-N -1 1 293.302 1.948 20 0 CDADMM O=C(OCCCCCCF)c1ccc(-c2nn[n-]n2)nc1 ZINC001593288085 1174053926 /nfs/dbraw/zinc/05/39/26/1174053926.db2.gz SZYCJQWSDVTFHD-UHFFFAOYSA-N -1 1 293.302 1.948 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@@H]2CCCC[C@@H]21 ZINC001593339742 1174067678 /nfs/dbraw/zinc/06/76/78/1174067678.db2.gz VLWCECKCONRYRG-UWVGGRQHSA-N -1 1 287.323 1.864 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@@H]2CCCC[C@@H]21 ZINC001593339742 1174067683 /nfs/dbraw/zinc/06/76/83/1174067683.db2.gz VLWCECKCONRYRG-UWVGGRQHSA-N -1 1 287.323 1.864 20 0 CDADMM O=Cc1cccc(Oc2ncncc2-c2nnn[n-]2)c1 ZINC001593416357 1174077441 /nfs/dbraw/zinc/07/74/41/1174077441.db2.gz RTTPUADYFNVDMH-UHFFFAOYSA-N -1 1 268.236 1.262 20 0 CDADMM O=Cc1cccc(Oc2ncncc2-c2nn[n-]n2)c1 ZINC001593416357 1174077447 /nfs/dbraw/zinc/07/74/47/1174077447.db2.gz RTTPUADYFNVDMH-UHFFFAOYSA-N -1 1 268.236 1.262 20 0 CDADMM O=c1c(-c2nn[n-]n2)cncn1CCC1=CCCCC1 ZINC001593494817 1174086699 /nfs/dbraw/zinc/08/66/99/1174086699.db2.gz SPFJIBFSJYXSFT-UHFFFAOYSA-N -1 1 272.312 1.314 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001593492275 1174088315 /nfs/dbraw/zinc/08/83/15/1174088315.db2.gz FJFCOIHJMICRPD-OUAUKWLOSA-N -1 1 271.324 1.465 20 0 CDADMM c1c(-c2nnn[n-]2)nc(C2CC2)nc1N1CC[C@@H]1C1CC1 ZINC001593543694 1174112396 /nfs/dbraw/zinc/11/23/96/1174112396.db2.gz CPQGFSPSXCWCAT-LLVKDONJSA-N -1 1 283.339 1.523 20 0 CDADMM c1c(-c2nn[n-]n2)nc(C2CC2)nc1N1CC[C@@H]1C1CC1 ZINC001593543694 1174112404 /nfs/dbraw/zinc/11/24/04/1174112404.db2.gz CPQGFSPSXCWCAT-LLVKDONJSA-N -1 1 283.339 1.523 20 0 CDADMM c1cc(CNc2n[nH]cc2-c2nnn[n-]2)n(C2CCC2)n1 ZINC001593554972 1174129496 /nfs/dbraw/zinc/12/94/96/1174129496.db2.gz XXBQHIABGYFLNI-UHFFFAOYSA-N -1 1 285.315 1.123 20 0 CDADMM c1cc(CNc2n[nH]cc2-c2nn[n-]n2)n(C2CCC2)n1 ZINC001593554972 1174129501 /nfs/dbraw/zinc/12/95/01/1174129501.db2.gz XXBQHIABGYFLNI-UHFFFAOYSA-N -1 1 285.315 1.123 20 0 CDADMM c1cc2cc(Oc3nnccc3-c3nnn[n-]3)ccc2cn1 ZINC001593564595 1174139867 /nfs/dbraw/zinc/13/98/67/1174139867.db2.gz LIMFMADDCKTVLF-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1cc2cc(Oc3nnccc3-c3nn[n-]n3)ccc2cn1 ZINC001593564595 1174139870 /nfs/dbraw/zinc/13/98/70/1174139870.db2.gz LIMFMADDCKTVLF-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1nc(N[C@@H]2CCC[C@]23CCCO3)cc(-c2nnn[n-]2)n1 ZINC001593590891 1174159187 /nfs/dbraw/zinc/15/91/87/1174159187.db2.gz HWSZQAALYPOMOR-MFKMUULPSA-N -1 1 287.327 1.170 20 0 CDADMM c1nc(N[C@@H]2CCC[C@]23CCCO3)cc(-c2nn[n-]n2)n1 ZINC001593590891 1174159191 /nfs/dbraw/zinc/15/91/91/1174159191.db2.gz HWSZQAALYPOMOR-MFKMUULPSA-N -1 1 287.327 1.170 20 0 CDADMM c1ncc(N2CCC3(CCCC3)C2)nc1-c1nnn[n-]1 ZINC001593592930 1174160669 /nfs/dbraw/zinc/16/06/69/1174160669.db2.gz FOQJZQUAWPTFQD-UHFFFAOYSA-N -1 1 271.328 1.427 20 0 CDADMM c1ncc(N2CCC3(CCCC3)C2)nc1-c1nn[n-]n1 ZINC001593592930 1174160675 /nfs/dbraw/zinc/16/06/75/1174160675.db2.gz FOQJZQUAWPTFQD-UHFFFAOYSA-N -1 1 271.328 1.427 20 0 CDADMM CCn1cc(CN[C@H](C(=O)[O-])c2cccnc2)cn1 ZINC001597889551 1174296883 /nfs/dbraw/zinc/29/68/83/1174296883.db2.gz IANZFAHDJNKNPA-LBPRGKRZSA-N -1 1 260.297 1.214 20 0 CDADMM O=c1[n-]c(CN2C[C@@H]3CCCC[C@@]32c2ccccc2)n[nH]1 ZINC000091594745 1174301501 /nfs/dbraw/zinc/30/15/01/1174301501.db2.gz IKHZVTCTNAVGQN-XJKSGUPXSA-N -1 1 284.363 1.999 20 0 CDADMM Cn1cnnc1-c1cncc(NC(=O)c2ccc([O-])cn2)c1 ZINC001598357184 1174313730 /nfs/dbraw/zinc/31/37/30/1174313730.db2.gz YFTBKRQYYINLOM-UHFFFAOYSA-N -1 1 296.290 1.230 20 0 CDADMM COC(=O)[C@]1(OC)CCN(Cc2ccsc2C(=O)[O-])C1 ZINC001598725604 1174319334 /nfs/dbraw/zinc/31/93/34/1174319334.db2.gz HYCJJFIWYOMZBX-ZDUSSCGKSA-N -1 1 299.348 1.210 20 0 CDADMM Cc1cc(CN[C@H](CO)c2ccccc2)[nH]c1C(=O)[O-] ZINC001600212527 1174410889 /nfs/dbraw/zinc/41/08/89/1174410889.db2.gz QHKVTHIVJAJARG-CYBMUJFWSA-N -1 1 274.320 1.845 20 0 CDADMM Cc1ccc(NC(=O)CN2CCC[C@@H]3C[C@@]32C(=O)[O-])cc1 ZINC001600447466 1174478284 /nfs/dbraw/zinc/47/82/84/1174478284.db2.gz HEMAVJUARLXSGO-WBMJQRKESA-N -1 1 288.347 1.873 20 0 CDADMM Cc1cccc(CN2CC[C@H](n3cc(C(=O)[O-])nn3)C2)n1 ZINC001600532863 1174497968 /nfs/dbraw/zinc/49/79/68/1174497968.db2.gz YVXOCMNZXUUNLX-LBPRGKRZSA-N -1 1 287.323 1.127 20 0 CDADMM Cc1ncc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)[nH]1 ZINC001600682475 1174559636 /nfs/dbraw/zinc/55/96/36/1174559636.db2.gz DANXBOCSGLDZCJ-LBPRGKRZSA-N -1 1 273.292 1.616 20 0 CDADMM Cc1nnc(SCC2(C(=O)[O-])CCOCC2)[nH]1 ZINC001600799766 1174617013 /nfs/dbraw/zinc/61/70/13/1174617013.db2.gz WFXGQUPXZJIRTE-UHFFFAOYSA-N -1 1 257.315 1.087 20 0 CDADMM Cc1n[nH]c(SCC2(C(=O)[O-])CCOCC2)n1 ZINC001600799766 1174617016 /nfs/dbraw/zinc/61/70/16/1174617016.db2.gz WFXGQUPXZJIRTE-UHFFFAOYSA-N -1 1 257.315 1.087 20 0 CDADMM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@H]1c1nnc[nH]1 ZINC001600824507 1174630765 /nfs/dbraw/zinc/63/07/65/1174630765.db2.gz QPTWYEXSIATGEQ-VIFPVBQESA-N -1 1 290.279 1.382 20 0 CDADMM Cn1c(C(=O)[O-])ccc1C(=O)OCc1cc(C2CC2)[nH]n1 ZINC001600906862 1174658739 /nfs/dbraw/zinc/65/87/39/1174658739.db2.gz CVTPRIOMYAZSGO-UHFFFAOYSA-N -1 1 289.291 1.681 20 0 CDADMM Cn1cncc1CN[C@](C)(CC(=O)[O-])c1cccnc1 ZINC001600994352 1174696552 /nfs/dbraw/zinc/69/65/52/1174696552.db2.gz PWLRJEOIPAFRGG-CQSZACIVSA-N -1 1 274.324 1.295 20 0 CDADMM O=C([O-])[C@@H](Cc1ccccc1)n1cc(CNC2CC2)nn1 ZINC001601661035 1174933407 /nfs/dbraw/zinc/93/34/07/1174933407.db2.gz VCDXRDFDBGKEHG-CQSZACIVSA-N -1 1 286.335 1.399 20 0 CDADMM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2cocn2)C1 ZINC001601727272 1174970056 /nfs/dbraw/zinc/97/00/56/1174970056.db2.gz KLKRXXSETSEZQR-HNNXBMFYSA-N -1 1 272.304 1.903 20 0 CDADMM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2nnc(C3CCC3)[nH]2)C1 ZINC001601804308 1175014775 /nfs/dbraw/zinc/01/47/75/1175014775.db2.gz NBICKVIKEXZZRK-UWVGGRQHSA-N -1 1 292.339 1.902 20 0 CDADMM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2n[nH]c(C3CCC3)n2)C1 ZINC001601804308 1175014782 /nfs/dbraw/zinc/01/47/82/1175014782.db2.gz NBICKVIKEXZZRK-UWVGGRQHSA-N -1 1 292.339 1.902 20 0 CDADMM O=C([O-])C[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])no2)C1 ZINC001601951870 1175083884 /nfs/dbraw/zinc/08/38/84/1175083884.db2.gz MBVMQDBMGGBENC-QMMMGPOBSA-N -1 1 268.269 1.060 20 0 CDADMM O=C([O-])CCNC(=O)CN1CCC(c2ccccc2)CC1 ZINC001602021406 1175112348 /nfs/dbraw/zinc/11/23/48/1175112348.db2.gz DMCOJWDBPHCEMR-UHFFFAOYSA-N -1 1 290.363 1.457 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(Cc3nc4c(s3)CCCC4)C[C@@H]21 ZINC001602205955 1175163470 /nfs/dbraw/zinc/16/34/70/1175163470.db2.gz HKCSZGSOWRQAST-WOFXILAISA-N -1 1 278.377 1.784 20 0 CDADMM O=C([O-])c1ccc(CNCC(=O)N2CCc3ccccc32)[nH]1 ZINC001602345129 1175217435 /nfs/dbraw/zinc/21/74/35/1175217435.db2.gz IJRHNSKPAYHUFS-UHFFFAOYSA-N -1 1 299.330 1.392 20 0 CDADMM O=C([O-])c1ccc(F)c(CN2CC[C@@]3(O)C[C@H]3C2)c1 ZINC001602364127 1175224887 /nfs/dbraw/zinc/22/48/87/1175224887.db2.gz PYOHUTZJHIEUMJ-SMDDNHRTSA-N -1 1 265.284 1.481 20 0 CDADMM O=C([O-])c1cncc(CN2CCN3C[C@@H](F)C[C@H]3C2)c1 ZINC001602538173 1175280496 /nfs/dbraw/zinc/28/04/96/1175280496.db2.gz PBOMSWAKAVOWRD-STQMWFEESA-N -1 1 279.315 1.008 20 0 CDADMM O=C([O-])c1csc(CNCc2cnn(CCF)c2)c1 ZINC001602562017 1175298676 /nfs/dbraw/zinc/29/86/76/1175298676.db2.gz MWSNNZSGJWFCQY-UHFFFAOYSA-N -1 1 283.328 1.902 20 0 CDADMM CC(C)n1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)cn1 ZINC001603430899 1175553238 /nfs/dbraw/zinc/55/32/38/1175553238.db2.gz UNQASQWFBSIPQP-UHFFFAOYSA-N -1 1 287.283 1.489 20 0 CDADMM CC(C)n1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)cn1 ZINC001603430899 1175553244 /nfs/dbraw/zinc/55/32/44/1175553244.db2.gz UNQASQWFBSIPQP-UHFFFAOYSA-N -1 1 287.283 1.489 20 0 CDADMM C[C@H](CNc1ccnc(-c2nnn[n-]2)c1)c1ccncc1 ZINC001603558398 1175566915 /nfs/dbraw/zinc/56/69/15/1175566915.db2.gz NZBTXIDWEDYVNV-SNVBAGLBSA-N -1 1 281.323 1.294 20 0 CDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)c1)c1ccncc1 ZINC001603558398 1175566924 /nfs/dbraw/zinc/56/69/24/1175566924.db2.gz NZBTXIDWEDYVNV-SNVBAGLBSA-N -1 1 281.323 1.294 20 0 CDADMM C[C@H](COc1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001603572386 1175568855 /nfs/dbraw/zinc/56/88/55/1175568855.db2.gz ZWCKHHOYLBHOAH-SNVBAGLBSA-N -1 1 297.322 1.536 20 0 CDADMM C[C@H](COc1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001603572386 1175568861 /nfs/dbraw/zinc/56/88/61/1175568861.db2.gz ZWCKHHOYLBHOAH-SNVBAGLBSA-N -1 1 297.322 1.536 20 0 CDADMM C[C@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ccccc1 ZINC001603678566 1175595771 /nfs/dbraw/zinc/59/57/71/1175595771.db2.gz LLWHARSYFGEUSI-VIFPVBQESA-N -1 1 267.296 1.830 20 0 CDADMM C[C@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ccccc1 ZINC001603678566 1175595776 /nfs/dbraw/zinc/59/57/76/1175595776.db2.gz LLWHARSYFGEUSI-VIFPVBQESA-N -1 1 267.296 1.830 20 0 CDADMM CC1(C)CN(c2cccnc2-c2nnn[n-]2)CC(C)(C)O1 ZINC001603788286 1175630265 /nfs/dbraw/zinc/63/02/65/1175630265.db2.gz UHLYEGVZSXUMRK-UHFFFAOYSA-N -1 1 288.355 1.656 20 0 CDADMM CC1(C)CN(c2cccnc2-c2nn[n-]n2)CC(C)(C)O1 ZINC001603788286 1175630268 /nfs/dbraw/zinc/63/02/68/1175630268.db2.gz UHLYEGVZSXUMRK-UHFFFAOYSA-N -1 1 288.355 1.656 20 0 CDADMM C[C@]1(CNC(=O)c2ccc(-c3nnn[n-]3)o2)CCCCO1 ZINC001603803979 1175637816 /nfs/dbraw/zinc/63/78/16/1175637816.db2.gz KFRVSNWKEZNMFW-CYBMUJFWSA-N -1 1 291.311 1.149 20 0 CDADMM C[C@]1(CNC(=O)c2ccc(-c3nn[n-]n3)o2)CCCCO1 ZINC001603803979 1175637819 /nfs/dbraw/zinc/63/78/19/1175637819.db2.gz KFRVSNWKEZNMFW-CYBMUJFWSA-N -1 1 291.311 1.149 20 0 CDADMM CC1(F)CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001603809288 1175639422 /nfs/dbraw/zinc/63/94/22/1175639422.db2.gz FZTMTHWJYZBTGT-UHFFFAOYSA-N -1 1 279.250 1.190 20 0 CDADMM CC1(F)CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001603809288 1175639426 /nfs/dbraw/zinc/63/94/26/1175639426.db2.gz FZTMTHWJYZBTGT-UHFFFAOYSA-N -1 1 279.250 1.190 20 0 CDADMM CC(C)COC(=O)N1CCN(CC2(C(=O)[O-])CC2)CC1 ZINC001603822334 1175645454 /nfs/dbraw/zinc/64/54/54/1175645454.db2.gz NQPOHBNUYFOQJK-UHFFFAOYSA-N -1 1 284.356 1.261 20 0 CDADMM C[C@@H]1CC(C)(C)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001603845293 1175650530 /nfs/dbraw/zinc/65/05/30/1175650530.db2.gz JRHBVGQZCWCWQG-MRVPVSSYSA-N -1 1 259.317 1.282 20 0 CDADMM CC(C)C[C@H](NC(=O)CCN1CC[C@H](F)C1)C(=O)[O-] ZINC001603840492 1175651624 /nfs/dbraw/zinc/65/16/24/1175651624.db2.gz SZZKDEDSWVHYIB-QWRGUYRKSA-N -1 1 274.336 1.036 20 0 CDADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603864146 1175659475 /nfs/dbraw/zinc/65/94/75/1175659475.db2.gz CYASOBALFJCCEF-XFWSIPNHSA-N -1 1 284.323 1.492 20 0 CDADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603864146 1175659480 /nfs/dbraw/zinc/65/94/80/1175659480.db2.gz CYASOBALFJCCEF-XFWSIPNHSA-N -1 1 284.323 1.492 20 0 CDADMM C[C@@H]1CC[C@@H](C)N(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001603874641 1175665004 /nfs/dbraw/zinc/66/50/04/1175665004.db2.gz MLLKTBXRGIBSLG-NXEZZACHSA-N -1 1 286.339 1.522 20 0 CDADMM C[C@@H]1CC[C@@H](C)N(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001603874641 1175665006 /nfs/dbraw/zinc/66/50/06/1175665006.db2.gz MLLKTBXRGIBSLG-NXEZZACHSA-N -1 1 286.339 1.522 20 0 CDADMM C[C@@H]1CCC(F)(F)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001603878561 1175666867 /nfs/dbraw/zinc/66/68/67/1175666867.db2.gz UMTHURMJIGKMHE-SSDOTTSWSA-N -1 1 281.270 1.281 20 0 CDADMM C[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001603889562 1175672125 /nfs/dbraw/zinc/67/21/25/1175672125.db2.gz CXSYCOIJUCJDDX-RKDXNWHRSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001603889562 1175672132 /nfs/dbraw/zinc/67/21/32/1175672132.db2.gz CXSYCOIJUCJDDX-RKDXNWHRSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@H]1CCC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001603891585 1175672190 /nfs/dbraw/zinc/67/21/90/1175672190.db2.gz HUEPTUBDUGKKPZ-DTWKUNHWSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@H]1CCC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001603891585 1175672194 /nfs/dbraw/zinc/67/21/94/1175672194.db2.gz HUEPTUBDUGKKPZ-DTWKUNHWSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603892148 1175675148 /nfs/dbraw/zinc/67/51/48/1175675148.db2.gz ZKEUXJXMFHZILX-RKDXNWHRSA-N -1 1 275.312 1.626 20 0 CDADMM C[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603892148 1175675154 /nfs/dbraw/zinc/67/51/54/1175675154.db2.gz ZKEUXJXMFHZILX-RKDXNWHRSA-N -1 1 275.312 1.626 20 0 CDADMM C[C@@H]1[C@@H](C)CCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603903666 1175679368 /nfs/dbraw/zinc/67/93/68/1175679368.db2.gz SBHBLDFICTUUGJ-DTWKUNHWSA-N -1 1 287.327 1.524 20 0 CDADMM C[C@@H]1[C@@H](C)CCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603903666 1175679371 /nfs/dbraw/zinc/67/93/71/1175679371.db2.gz SBHBLDFICTUUGJ-DTWKUNHWSA-N -1 1 287.327 1.524 20 0 CDADMM C[C@@H]1CN(C(=O)c2csc(-c3nn[n-]n3)c2)CCCO1 ZINC001603927564 1175687607 /nfs/dbraw/zinc/68/76/07/1175687607.db2.gz LGJWBQGANHYOAH-MRVPVSSYSA-N -1 1 293.352 1.179 20 0 CDADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)[C@@H](C)[C@H]1C ZINC001603939324 1175692278 /nfs/dbraw/zinc/69/22/78/1175692278.db2.gz LLRBFRPCRFXNDB-VGMNWLOBSA-N -1 1 259.317 1.137 20 0 CDADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)[C@@H](C)[C@H]1C ZINC001603939324 1175692282 /nfs/dbraw/zinc/69/22/82/1175692282.db2.gz LLRBFRPCRFXNDB-VGMNWLOBSA-N -1 1 259.317 1.137 20 0 CDADMM CC(C)Oc1ccnc(CN[C@]2(CC(=O)[O-])CCOC2)c1 ZINC001603956954 1175699398 /nfs/dbraw/zinc/69/93/98/1175699398.db2.gz JIVWJHSTZBLMRY-HNNXBMFYSA-N -1 1 294.351 1.592 20 0 CDADMM CCC(C)(C)C(=O)Cn1cc(-c2nn[n-]n2)ccc1=O ZINC001603980014 1175705040 /nfs/dbraw/zinc/70/50/40/1175705040.db2.gz HEQQXHAGNCFLRN-UHFFFAOYSA-N -1 1 275.312 1.034 20 0 CDADMM CC[C@H](CSC)Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001604040291 1175729014 /nfs/dbraw/zinc/72/90/14/1175729014.db2.gz 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/nfs/dbraw/zinc/74/72/07/1175747207.db2.gz JTAROOXBRJYBOU-LLVKDONJSA-N -1 1 275.312 1.853 20 0 CDADMM CC(C)(C)N1CC[C@H]1C(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC001604079274 1175749577 /nfs/dbraw/zinc/74/95/77/1175749577.db2.gz MAWARTGUOQGSAI-XHDPSFHLSA-N -1 1 282.384 1.619 20 0 CDADMM CC[C@H]1[C@H](C)CCN1c1cccc(-c2nnn[n-]2)n1 ZINC001604096076 1175757135 /nfs/dbraw/zinc/75/71/35/1175757135.db2.gz GDBJIMNILZEUBE-KOLCDFICSA-N -1 1 258.329 1.887 20 0 CDADMM CC[C@H]1[C@H](C)CCN1c1cccc(-c2nn[n-]n2)n1 ZINC001604096076 1175757138 /nfs/dbraw/zinc/75/71/38/1175757138.db2.gz GDBJIMNILZEUBE-KOLCDFICSA-N -1 1 258.329 1.887 20 0 CDADMM CCOc1ncccc1C(=O)Nc1ccncc1[O-] ZINC000135404585 1175823666 /nfs/dbraw/zinc/82/36/66/1175823666.db2.gz MBOWQFHMZHIXHP-UHFFFAOYSA-N -1 1 259.265 1.833 20 0 CDADMM Nc1ccccc1S(=O)(=O)[N-]c1nccnc1Cl ZINC000143977297 1177910116 /nfs/dbraw/zinc/91/01/16/1177910116.db2.gz YDZKLVFAVNZXBT-UHFFFAOYSA-N -1 1 284.728 1.513 20 0 CDADMM CO[C@@H](CNCc1cscc1Br)C(=O)[O-] ZINC001771909208 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1 290.310 1.039 20 0 CDADMM O=C([O-])C[NH+]1CCC(NCc2ccccc2C(=O)[O-])CC1 ZINC001608748539 1164628905 /nfs/dbraw/zinc/62/89/05/1164628905.db2.gz FLHHFWORYGSAJD-UHFFFAOYSA-N -1 1 292.335 1.023 20 0 CDADMM O=C([O-])CN1CCC([NH2+]Cc2ccccc2C(=O)[O-])CC1 ZINC001608748539 1164628906 /nfs/dbraw/zinc/62/89/06/1164628906.db2.gz FLHHFWORYGSAJD-UHFFFAOYSA-N -1 1 292.335 1.023 20 0 CDADMM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)c1cccc(F)c1O ZINC001608771440 1164633305 /nfs/dbraw/zinc/63/33/05/1164633305.db2.gz QNUMRDSPPQLBEJ-GZMMTYOYSA-N -1 1 281.283 1.905 20 0 CDADMM O=C([O-])c1cc(CN2CC[C@@H](O)CC23CCC3)on1 ZINC001608841937 1164659634 /nfs/dbraw/zinc/65/96/34/1164659634.db2.gz PYFXKGVZQKUHNO-SECBINFHSA-N -1 1 266.297 1.252 20 0 CDADMM CC(C)OCC(C)(C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609101065 1164771233 /nfs/dbraw/zinc/77/12/33/1164771233.db2.gz RYGKXCJZYJIXHF-UHFFFAOYSA-N -1 1 293.327 1.393 20 0 CDADMM CC(C)OCC(C)(C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609101065 1164771238 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C[C@H](CN(C)[C@@H](C(=O)NC1CC1)c1ccccc1)C(=O)[O-] ZINC000736575752 575695291 /nfs/dbraw/zinc/69/52/91/575695291.db2.gz QGPIJTGDCILKKG-BXUZGUMPSA-N -1 1 290.363 1.659 20 0 CDADMM C[Si](C)(C)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737196706 575900806 /nfs/dbraw/zinc/90/08/06/575900806.db2.gz ZHWZGOAYKXEANJ-UHFFFAOYSA-N -1 1 277.360 1.296 20 0 CDADMM C[Si](C)(C)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737196706 575900807 /nfs/dbraw/zinc/90/08/07/575900807.db2.gz ZHWZGOAYKXEANJ-UHFFFAOYSA-N -1 1 277.360 1.296 20 0 CDADMM Cc1cc(N(C)C)ccc1Nc1nccnc1-c1nnn[n-]1 ZINC000737269243 575931023 /nfs/dbraw/zinc/93/10/23/575931023.db2.gz ADQQYGZDPGCZPM-UHFFFAOYSA-N -1 1 296.338 1.775 20 0 CDADMM Cc1cc(N(C)C)ccc1Nc1nccnc1-c1nn[n-]n1 ZINC000737269243 575931026 /nfs/dbraw/zinc/93/10/26/575931026.db2.gz ADQQYGZDPGCZPM-UHFFFAOYSA-N -1 1 296.338 1.775 20 0 CDADMM O=C(N[C@@H](CCO)C1CC1)c1ccc(Cl)cc1[O-] ZINC000764705065 575936522 /nfs/dbraw/zinc/93/65/22/575936522.db2.gz VUJVOMKSTDAUOR-NSHDSACASA-N -1 1 269.728 1.936 20 0 CDADMM Cc1ccncc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737445615 575966983 /nfs/dbraw/zinc/96/69/83/575966983.db2.gz SJJIQTIBYUKJSF-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1ccncc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737445615 575966984 /nfs/dbraw/zinc/96/69/84/575966984.db2.gz SJJIQTIBYUKJSF-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM CN1CCC[C@H]1C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000737520964 575982275 /nfs/dbraw/zinc/98/22/75/575982275.db2.gz LVLSCMYYBASHEV-OLZOCXBDSA-N -1 1 276.336 1.413 20 0 CDADMM CN1CCC[C@@H]1C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000737520938 575982496 /nfs/dbraw/zinc/98/24/96/575982496.db2.gz LREUFULDDJPHGU-XQHKEYJVSA-N -1 1 280.368 1.325 20 0 CDADMM CN(C(=O)[C@@H]1CCCN1C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737523722 575985524 /nfs/dbraw/zinc/98/55/24/575985524.db2.gz UXDUCLPYUTYAGD-QWHCGFSZSA-N -1 1 276.336 1.365 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)[C@@H]1CCOC1 ZINC000765096998 575985925 /nfs/dbraw/zinc/98/59/25/575985925.db2.gz GJXTUEKXNAQPCD-GXSJLCMTSA-N -1 1 293.367 1.769 20 0 CDADMM Cn1[n-]c(COC(=O)CC2CCCCC2)nc1=O ZINC000765385554 576014968 /nfs/dbraw/zinc/01/49/68/576014968.db2.gz BANSAVHRSISBRF-UHFFFAOYSA-N -1 1 253.302 1.122 20 0 CDADMM CC(C)=C[C@H]1[C@H](C(=O)OCc2nc(=O)n(C)[n-]2)C1(C)C ZINC000765411659 576018276 /nfs/dbraw/zinc/01/82/76/576018276.db2.gz YEHYNJFOBWMZTE-GXSJLCMTSA-N -1 1 279.340 1.390 20 0 CDADMM CS[C@H](C(=O)OCc1nc(=O)n(C)[n-]1)c1ccccc1 ZINC000765480854 576028293 /nfs/dbraw/zinc/02/82/93/576028293.db2.gz QPXILIMEQJUITE-NSHDSACASA-N -1 1 293.348 1.256 20 0 CDADMM CCC(CC)n1nccc1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765493431 576030037 /nfs/dbraw/zinc/03/00/37/576030037.db2.gz GSAYVFYVUOJSTJ-UHFFFAOYSA-N -1 1 293.327 1.023 20 0 CDADMM CCC(=O)c1ccc(C(=O)OCc2nc(=O)n(C)[n-]2)cc1 ZINC000765497590 576031107 /nfs/dbraw/zinc/03/11/07/576031107.db2.gz UVKKTUUVNSTQDS-UHFFFAOYSA-N -1 1 289.291 1.058 20 0 CDADMM O=C(Nc1cccc(CO)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738181902 576046987 /nfs/dbraw/zinc/04/69/87/576046987.db2.gz BNFMGANMMXKAIL-UHFFFAOYSA-N -1 1 296.290 1.006 20 0 CDADMM O=C(Nc1cccc(CO)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738181902 576046992 /nfs/dbraw/zinc/04/69/92/576046992.db2.gz BNFMGANMMXKAIL-UHFFFAOYSA-N -1 1 296.290 1.006 20 0 CDADMM Cc1cc(NC(=O)[C@@H]2CCCN2C)c(C(=O)[O-])[nH]1 ZINC000738423351 576072172 /nfs/dbraw/zinc/07/21/72/576072172.db2.gz UHBLCAOBGFBNGC-VIFPVBQESA-N -1 1 251.286 1.054 20 0 CDADMM c1ccc([C@H]2C[C@H]2Nc2nccnc2-c2nnn[n-]2)cc1 ZINC000738427360 576072709 /nfs/dbraw/zinc/07/27/09/576072709.db2.gz HGLNQLBWDUZGSN-GHMZBOCLSA-N -1 1 279.307 1.625 20 0 CDADMM c1ccc([C@H]2C[C@H]2Nc2nccnc2-c2nn[n-]n2)cc1 ZINC000738427360 576072711 /nfs/dbraw/zinc/07/27/11/576072711.db2.gz HGLNQLBWDUZGSN-GHMZBOCLSA-N -1 1 279.307 1.625 20 0 CDADMM Cc1ccc([C@@H]2CCCN2[C@@H](C)C(=O)NCC(=O)[O-])o1 ZINC000738583763 576091181 /nfs/dbraw/zinc/09/11/81/576091181.db2.gz RHBDKPVLCVPVQO-QWRGUYRKSA-N -1 1 280.324 1.314 20 0 CDADMM Cc1nn(C)c2ncc(C[N@H+]3CCC[C@H]3C(=O)[O-])cc12 ZINC000738918158 576135315 /nfs/dbraw/zinc/13/53/15/576135315.db2.gz IZQRQBWUINCBAH-LBPRGKRZSA-N -1 1 274.324 1.326 20 0 CDADMM O=C([O-])N1CCC[C@H](NC(=O)c2ccc(O)c(Cl)c2)C1 ZINC000739388887 576223590 /nfs/dbraw/zinc/22/35/90/576223590.db2.gz QUJFWUVQTTWSHW-VIFPVBQESA-N -1 1 298.726 1.918 20 0 CDADMM COC(=O)CCC(C)(C)NC(=O)c1ccc([O-])c(F)c1 ZINC000768124359 576258625 /nfs/dbraw/zinc/25/86/25/576258625.db2.gz KSOCTDCXBWDUMI-UHFFFAOYSA-N -1 1 283.299 1.993 20 0 CDADMM O=C(N[C@H]1CCCC2(C1)OCCO2)c1ccc([O-])c(F)c1 ZINC000768732024 576304843 /nfs/dbraw/zinc/30/48/43/576304843.db2.gz XGHCEYBPZSMSMK-NSHDSACASA-N -1 1 295.310 1.947 20 0 CDADMM O=C([O-])CNC(=O)CCN(Cc1ccccc1F)C1CC1 ZINC000739808138 576384578 /nfs/dbraw/zinc/38/45/78/576384578.db2.gz XWEIJSPWHFVYJC-UHFFFAOYSA-N -1 1 294.326 1.381 20 0 CDADMM O=C([O-])C1CCN(Cn2nccc2-c2cccnc2)CC1 ZINC000740481667 576477725 /nfs/dbraw/zinc/47/77/25/576477725.db2.gz FSSHGWLULQCNOP-UHFFFAOYSA-N -1 1 286.335 1.699 20 0 CDADMM Cc1n[nH]c(C)c1[C@H](C)CC(=O)[N-]OCC(F)F ZINC000760459700 576485685 /nfs/dbraw/zinc/48/56/85/576485685.db2.gz SKVNQXPJCXRZIY-ZCFIWIBFSA-N -1 1 261.272 1.833 20 0 CDADMM COC[C@@H](Cc1ccccc1)[N-]C(=O)C(F)(F)F ZINC000746657104 576788061 /nfs/dbraw/zinc/78/80/61/576788061.db2.gz LRFXFNGFBUKCPU-SNVBAGLBSA-N -1 1 261.243 1.923 20 0 CDADMM COC1CN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC000747389792 576868266 /nfs/dbraw/zinc/86/82/66/576868266.db2.gz PDQAIBKZUYGCOH-UHFFFAOYSA-N -1 1 265.313 1.085 20 0 CDADMM C[C@H](CO[C@@H]1CCOC1)NC(=O)c1c([O-])cccc1Cl ZINC000754046876 576875582 /nfs/dbraw/zinc/87/55/82/576875582.db2.gz ROGUHBRFAJSWBU-NXEZZACHSA-N -1 1 299.754 1.969 20 0 CDADMM Cc1nc2n(n1)CCN(C(=O)c1c([O-])cccc1Cl)C2 ZINC000748418883 576911749 /nfs/dbraw/zinc/91/17/49/576911749.db2.gz LQRVOCMMAYMMFA-UHFFFAOYSA-N -1 1 292.726 1.602 20 0 CDADMM CCC(=O)N1CCC[C@H](C(=O)[N-]O[C@H]2CCCCO2)C1 ZINC000749620157 576956013 /nfs/dbraw/zinc/95/60/13/576956013.db2.gz ZPFUCVLGIIJANT-AAEUAGOBSA-N -1 1 284.356 1.209 20 0 CDADMM CC(C)(C)Oc1ccc(C(=O)NN2CC(=O)[N-]C2=O)cc1 ZINC000751058666 577025414 /nfs/dbraw/zinc/02/54/14/577025414.db2.gz ITEPDYYNCQBRPJ-UHFFFAOYSA-N -1 1 291.307 1.061 20 0 CDADMM O=C(C[C@@H]1OC(=O)c2ccccc21)[N-]OCC(F)F ZINC000759328786 577169279 /nfs/dbraw/zinc/16/92/79/577169279.db2.gz QOCVWLCNLQEXPX-VIFPVBQESA-N -1 1 271.219 1.601 20 0 CDADMM O=C([O-])[C@@H]1CCN(Cc2cnns2)[C@@H]2CCC[C@H]21 ZINC001601828250 1175026371 /nfs/dbraw/zinc/02/63/71/1175026371.db2.gz RPMUIZFIVGTFDB-HBNTYKKESA-N -1 1 267.354 1.613 20 0 CDADMM O=C([O-])CCC1(NC(=O)CCc2nc[nH]n2)CCCCC1 ZINC001601973438 1175093511 /nfs/dbraw/zinc/09/35/11/1175093511.db2.gz XFOYIOQDNMFBSI-UHFFFAOYSA-N -1 1 294.355 1.421 20 0 CDADMM O=C([O-])CCCONC(=O)Cc1nsc2ccccc12 ZINC001601994839 1175103998 /nfs/dbraw/zinc/10/39/98/1175103998.db2.gz IILAUJRWRKSIQH-UHFFFAOYSA-N -1 1 294.332 1.751 20 0 CDADMM c1ccc(CNc2cccc(-c3nnn[n-]3)n2)nc1 ZINC000095183380 599392958 /nfs/dbraw/zinc/39/29/58/599392958.db2.gz JQVMZXJFFTVWKR-UHFFFAOYSA-N -1 1 253.269 1.269 20 0 CDADMM c1ccc(CNc2cccc(-c3nn[n-]n3)n2)nc1 ZINC000095183380 599392961 /nfs/dbraw/zinc/39/29/61/599392961.db2.gz JQVMZXJFFTVWKR-UHFFFAOYSA-N -1 1 253.269 1.269 20 0 CDADMM C[C@@H](O)CCN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000820473963 599051851 /nfs/dbraw/zinc/05/18/51/599051851.db2.gz OSMJILHKUQGRPX-RXMQYKEDSA-N -1 1 288.764 1.184 20 0 CDADMM C[C@@H](O)CCN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000820473963 599051854 /nfs/dbraw/zinc/05/18/54/599051854.db2.gz OSMJILHKUQGRPX-RXMQYKEDSA-N -1 1 288.764 1.184 20 0 CDADMM CC(C)[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCS1 ZINC000820045609 599097095 /nfs/dbraw/zinc/09/70/95/599097095.db2.gz OHWCZZQMBNXNBF-LLVKDONJSA-N -1 1 290.396 1.840 20 0 CDADMM CC(C)[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCS1 ZINC000820045609 599097098 /nfs/dbraw/zinc/09/70/98/599097098.db2.gz OHWCZZQMBNXNBF-LLVKDONJSA-N -1 1 290.396 1.840 20 0 CDADMM C[C@@H](CCO)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000095153383 599098785 /nfs/dbraw/zinc/09/87/85/599098785.db2.gz UZBQMNBYAHUDAT-ZETCQYMHSA-N -1 1 282.735 1.346 20 0 CDADMM C[C@@H](CCO)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000095153383 599098787 /nfs/dbraw/zinc/09/87/87/599098787.db2.gz UZBQMNBYAHUDAT-ZETCQYMHSA-N -1 1 282.735 1.346 20 0 CDADMM CC(C)(CCO)CNc1cccc(-c2nnn[n-]2)n1 ZINC000819980715 599105959 /nfs/dbraw/zinc/10/59/59/599105959.db2.gz HRCCXUJAHQEOKV-UHFFFAOYSA-N -1 1 262.317 1.082 20 0 CDADMM CC(C)(CCO)CNc1cccc(-c2nn[n-]n2)n1 ZINC000819980715 599105963 /nfs/dbraw/zinc/10/59/63/599105963.db2.gz HRCCXUJAHQEOKV-UHFFFAOYSA-N -1 1 262.317 1.082 20 0 CDADMM O=C([O-])c1cc(CN2C[C@@H]3C[C@]3(O)C2)n2c1CCCC2 ZINC001602256665 1175184709 /nfs/dbraw/zinc/18/47/09/1175184709.db2.gz NDGHVPHWZOICHE-BONVTDFDSA-N -1 1 276.336 1.089 20 0 CDADMM O=C([O-])c1cc(F)ccc1CN1CC=C[C@@H]1CO ZINC001602274662 1175191173 /nfs/dbraw/zinc/19/11/73/1175191173.db2.gz VZRGAJPTVUBYED-LLVKDONJSA-N -1 1 251.257 1.257 20 0 CDADMM Cc1nn2c(CN3CC[C@@H](C(=O)[O-])C3)c(C)nc2s1 ZINC000821216840 598131152 /nfs/dbraw/zinc/13/11/52/598131152.db2.gz PYDFADGBNZWRDX-SECBINFHSA-N -1 1 280.353 1.314 20 0 CDADMM O=C([O-])c1cccc(CN[C@H]2CCCS(=O)(=O)C2)c1 ZINC000236486991 598192211 /nfs/dbraw/zinc/19/22/11/598192211.db2.gz BOXJBUJOCLIIIY-LBPRGKRZSA-N -1 1 283.349 1.052 20 0 CDADMM CCCS(=O)(=O)CCN[C@H](C(=O)[O-])c1ccccc1 ZINC000233255262 598199423 /nfs/dbraw/zinc/19/94/23/598199423.db2.gz HQKLRHDPCLPUET-LBPRGKRZSA-N -1 1 285.365 1.227 20 0 CDADMM O=C([O-])c1cccc(CNC[C@H](O)C(F)(F)F)c1 ZINC000236516037 598202802 /nfs/dbraw/zinc/20/28/02/598202802.db2.gz QUDRLRPVLUVLSE-VIFPVBQESA-N -1 1 263.215 1.398 20 0 CDADMM C[C@@H]1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC000095254510 598335830 /nfs/dbraw/zinc/33/58/30/598335830.db2.gz PWKKSUFWHOWHTE-OPRDCNLKSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC000095254510 598335832 /nfs/dbraw/zinc/33/58/32/598335832.db2.gz PWKKSUFWHOWHTE-OPRDCNLKSA-N -1 1 273.344 1.893 20 0 CDADMM CC1=NO[C@@H](C(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000854886209 678333247 /nfs/dbraw/zinc/33/32/47/678333247.db2.gz MKACYUGENDNLDL-MRVPVSSYSA-N -1 1 256.208 1.774 20 0 CDADMM c1cc(NCCOC2CCCC2)nc(-c2nnn[n-]2)c1 ZINC000095147430 599418020 /nfs/dbraw/zinc/41/80/20/599418020.db2.gz STVKZBLUMWJPBX-UHFFFAOYSA-N -1 1 274.328 1.633 20 0 CDADMM c1cc(NCCOC2CCCC2)nc(-c2nn[n-]n2)c1 ZINC000095147430 599418021 /nfs/dbraw/zinc/41/80/21/599418021.db2.gz STVKZBLUMWJPBX-UHFFFAOYSA-N -1 1 274.328 1.633 20 0 CDADMM CC(C)[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000095198699 599418056 /nfs/dbraw/zinc/41/80/56/599418056.db2.gz SNEOBTJWVZDAGF-NSHDSACASA-N -1 1 258.329 1.887 20 0 CDADMM CC(C)[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000095198699 599418057 /nfs/dbraw/zinc/41/80/57/599418057.db2.gz SNEOBTJWVZDAGF-NSHDSACASA-N -1 1 258.329 1.887 20 0 CDADMM c1csc(CCNc2cccc(-c3nn[n-]n3)n2)n1 ZINC000095147448 599421903 /nfs/dbraw/zinc/42/19/03/599421903.db2.gz HTIUMRXDDNMPQW-UHFFFAOYSA-N -1 1 273.325 1.373 20 0 CDADMM c1csc(CCNc2cccc(-c3nnn[n-]3)n2)n1 ZINC000095147448 599421902 /nfs/dbraw/zinc/42/19/02/599421902.db2.gz HTIUMRXDDNMPQW-UHFFFAOYSA-N -1 1 273.325 1.373 20 0 CDADMM O=C([O-])c1cnc(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)s1 ZINC001602520254 1175268237 /nfs/dbraw/zinc/26/82/37/1175268237.db2.gz JGAZJUVMZPMUIV-AXFHLTTASA-N -1 1 296.392 1.967 20 0 CDADMM Cc1nc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)no1 ZINC000095214962 599558396 /nfs/dbraw/zinc/55/83/96/599558396.db2.gz ITVDFUGTNXQIPU-UHFFFAOYSA-N -1 1 292.690 1.219 20 0 CDADMM Cc1nc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)no1 ZINC000095214962 599558397 /nfs/dbraw/zinc/55/83/97/599558397.db2.gz ITVDFUGTNXQIPU-UHFFFAOYSA-N -1 1 292.690 1.219 20 0 CDADMM Cc1ncccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000822471414 599656798 /nfs/dbraw/zinc/65/67/98/599656798.db2.gz BDMSXNFELQYEMN-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1ncccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000822471414 599656799 /nfs/dbraw/zinc/65/67/99/599656799.db2.gz BDMSXNFELQYEMN-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 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282.384 1.524 20 0 CDADMM CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000829163688 601270688 /nfs/dbraw/zinc/27/06/88/601270688.db2.gz ZYQNFSJGHCOYEK-FVCCEPFGSA-N -1 1 280.368 1.182 20 0 CDADMM CC(C)=C(C)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000826642438 601292749 /nfs/dbraw/zinc/29/27/49/601292749.db2.gz YWSOTAUSRDFGCH-NSHDSACASA-N -1 1 268.357 1.350 20 0 CDADMM COC[C@](C)(CC(=O)[O-])NCc1ccoc1C(=O)OC ZINC000831584466 601490806 /nfs/dbraw/zinc/49/08/06/601490806.db2.gz FVTGJPKDPFWCPC-ZDUSSCGKSA-N -1 1 285.296 1.036 20 0 CDADMM CC(C)n1ccnc1CN1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000692877496 601503998 /nfs/dbraw/zinc/50/39/98/601503998.db2.gz ZXNMHHGVCKIDGJ-QWRGUYRKSA-N -1 1 251.330 1.617 20 0 CDADMM C[C@H]1CC(CCN2CCNC(=O)[C@H]2CC(=O)[O-])C[C@H](C)C1 ZINC000828162765 601615009 /nfs/dbraw/zinc/61/50/09/601615009.db2.gz ZXCMSHPOLXMYMZ-YRGRVCCFSA-N -1 1 296.411 1.724 20 0 CDADMM O=C([O-])C[C@H]1C(=O)NCCN1CCCC1CCCC1 ZINC000833206856 601806292 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C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CCOC1 ZINC000820390185 606572647 /nfs/dbraw/zinc/57/26/47/606572647.db2.gz FVQSCSURMGHLCX-YUMQZZPRSA-N -1 1 293.352 1.083 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CCOC1 ZINC000820390185 606572649 /nfs/dbraw/zinc/57/26/49/606572649.db2.gz FVQSCSURMGHLCX-YUMQZZPRSA-N -1 1 293.352 1.083 20 0 CDADMM Cc1cnc(NC(=O)c2ccc(-c3nnn[n-]3)s2)o1 ZINC000822394780 606645793 /nfs/dbraw/zinc/64/57/93/606645793.db2.gz HDLMTXVBPHXIHJ-UHFFFAOYSA-N -1 1 276.281 1.477 20 0 CDADMM Cc1cnc(NC(=O)c2ccc(-c3nn[n-]n3)s2)o1 ZINC000822394780 606645794 /nfs/dbraw/zinc/64/57/94/606645794.db2.gz HDLMTXVBPHXIHJ-UHFFFAOYSA-N -1 1 276.281 1.477 20 0 CDADMM CCC(C)(C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820848170 606648881 /nfs/dbraw/zinc/64/88/81/606648881.db2.gz SFEPUHJPDNLMKU-UHFFFAOYSA-N -1 1 275.312 1.741 20 0 CDADMM CCC(C)(C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820848170 606648882 /nfs/dbraw/zinc/64/88/82/606648882.db2.gz SFEPUHJPDNLMKU-UHFFFAOYSA-N -1 1 275.312 1.741 20 0 CDADMM c1cc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)nc(-c2nnn[n-]2)c1 ZINC000823756956 606730198 /nfs/dbraw/zinc/73/01/98/606730198.db2.gz HYHUETWPNDHQGF-FOGDFJRCSA-N -1 1 286.339 1.631 20 0 CDADMM c1cc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)nc(-c2nn[n-]n2)c1 ZINC000823756956 606730200 /nfs/dbraw/zinc/73/02/00/606730200.db2.gz HYHUETWPNDHQGF-FOGDFJRCSA-N -1 1 286.339 1.631 20 0 CDADMM c1cc(NC[C@@H]2CCCS2)nc(-c2nnn[n-]2)c1 ZINC000823757546 606800616 /nfs/dbraw/zinc/80/06/16/606800616.db2.gz RJXPYBCZLNYJAF-QMMMGPOBSA-N -1 1 262.342 1.569 20 0 CDADMM c1cc(NC[C@@H]2CCCS2)nc(-c2nn[n-]n2)c1 ZINC000823757546 606800617 /nfs/dbraw/zinc/80/06/17/606800617.db2.gz RJXPYBCZLNYJAF-QMMMGPOBSA-N -1 1 262.342 1.569 20 0 CDADMM CCCC(C)=CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000821009514 606828266 /nfs/dbraw/zinc/82/82/66/606828266.db2.gz UJIPPVOSDDFVDU-FNORWQNLSA-N -1 1 261.289 1.032 20 0 CDADMM COC(=O)[C@@H](C)CSc1cccc(-c2nn[n-]n2)n1 ZINC000826103691 607899737 /nfs/dbraw/zinc/89/97/37/607899737.db2.gz KWTVZJMXYKQXLA-ZETCQYMHSA-N -1 1 279.325 1.163 20 0 CDADMM COC(=O)[C@@H](C)CSc1cccc(-c2nnn[n-]2)n1 ZINC000826103691 607899736 /nfs/dbraw/zinc/89/97/36/607899736.db2.gz KWTVZJMXYKQXLA-ZETCQYMHSA-N -1 1 279.325 1.163 20 0 CDADMM CCCc1nnc(Sc2cccc(-c3nnn[n-]3)n2)o1 ZINC000825352134 607902190 /nfs/dbraw/zinc/90/21/90/607902190.db2.gz KJOOQSVXGAPZIC-UHFFFAOYSA-N -1 1 289.324 1.748 20 0 CDADMM CCCc1nnc(Sc2cccc(-c3nn[n-]n3)n2)o1 ZINC000825352134 607902191 /nfs/dbraw/zinc/90/21/91/607902191.db2.gz KJOOQSVXGAPZIC-UHFFFAOYSA-N -1 1 289.324 1.748 20 0 CDADMM COc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826203803 607987833 /nfs/dbraw/zinc/98/78/33/607987833.db2.gz GVZWZVWLBVODGC-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM COc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826203803 607987834 /nfs/dbraw/zinc/98/78/34/607987834.db2.gz GVZWZVWLBVODGC-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM c1ccc2c(c1)CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC000826523087 607988088 /nfs/dbraw/zinc/98/80/88/607988088.db2.gz AFTKUWKEANQLGE-UHFFFAOYSA-N -1 1 265.280 1.351 20 0 CDADMM c1ccc2c(c1)CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC000826523087 607988089 /nfs/dbraw/zinc/98/80/89/607988089.db2.gz AFTKUWKEANQLGE-UHFFFAOYSA-N -1 1 265.280 1.351 20 0 CDADMM c1cnc2cc(Oc3nccnc3-c3nn[n-]n3)ccc2n1 ZINC000826524771 608017617 /nfs/dbraw/zinc/01/76/17/608017617.db2.gz JOYGITPANPSGIO-UHFFFAOYSA-N -1 1 292.262 1.392 20 0 CDADMM OC[C@H]1C=C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000826510353 608188059 /nfs/dbraw/zinc/18/80/59/608188059.db2.gz MCCZHACKZWXTKP-NTSWFWBYSA-N -1 1 298.759 1.326 20 0 CDADMM OC[C@H]1C=C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000826510353 608188060 /nfs/dbraw/zinc/18/80/60/608188060.db2.gz MCCZHACKZWXTKP-NTSWFWBYSA-N -1 1 298.759 1.326 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC[C@@H]1C ZINC000824946224 608312635 /nfs/dbraw/zinc/31/26/35/608312635.db2.gz ISEYNXXCGNYTOL-UWVGGRQHSA-N -1 1 286.339 1.380 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC[C@@H]1C ZINC000824946224 608312636 /nfs/dbraw/zinc/31/26/36/608312636.db2.gz ISEYNXXCGNYTOL-UWVGGRQHSA-N -1 1 286.339 1.380 20 0 CDADMM COc1cccc(CN(C)c2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826216236 608390042 /nfs/dbraw/zinc/39/00/42/608390042.db2.gz PKINXAFQXBIIGO-UHFFFAOYSA-N -1 1 297.322 1.302 20 0 CDADMM COc1cccc(CN(C)c2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826216236 608390043 /nfs/dbraw/zinc/39/00/43/608390043.db2.gz PKINXAFQXBIIGO-UHFFFAOYSA-N -1 1 297.322 1.302 20 0 CDADMM C[C@H](Cc1cnn(C)c1)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858563480 617196257 /nfs/dbraw/zinc/19/62/57/617196257.db2.gz VJSQAJXNMUVVCE-SSDOTTSWSA-N -1 1 267.720 1.612 20 0 CDADMM CC[C@H](CSC)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825127799 608416678 /nfs/dbraw/zinc/41/66/78/608416678.db2.gz OLFKHLJOXMNCCP-SSDOTTSWSA-N -1 1 265.346 1.210 20 0 CDADMM CC[C@H](CSC)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825127799 608416680 /nfs/dbraw/zinc/41/66/80/608416680.db2.gz OLFKHLJOXMNCCP-SSDOTTSWSA-N -1 1 265.346 1.210 20 0 CDADMM CCCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC000825285176 608432853 /nfs/dbraw/zinc/43/28/53/608432853.db2.gz LXQXGVRYYIYLNG-UHFFFAOYSA-N -1 1 259.317 1.426 20 0 CDADMM CCCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC000825285176 608432854 /nfs/dbraw/zinc/43/28/54/608432854.db2.gz LXQXGVRYYIYLNG-UHFFFAOYSA-N -1 1 259.317 1.426 20 0 CDADMM CCCC1(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825247742 608432896 /nfs/dbraw/zinc/43/28/96/608432896.db2.gz HCPAKYMPHWLKBY-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM CCCC1(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825247742 608432897 /nfs/dbraw/zinc/43/28/97/608432897.db2.gz HCPAKYMPHWLKBY-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM CO[C@@H]1[C@H](C)[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1(C)C ZINC000826144099 608587162 /nfs/dbraw/zinc/58/71/62/608587162.db2.gz BGZFXINBSBXEAR-AVPPRXQKSA-N -1 1 289.343 1.128 20 0 CDADMM CO[C@@H]1[C@H](C)[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1(C)C ZINC000826144099 608587165 /nfs/dbraw/zinc/58/71/65/608587165.db2.gz BGZFXINBSBXEAR-AVPPRXQKSA-N -1 1 289.343 1.128 20 0 CDADMM CC(=O)Nc1cccc(Cn2ccnc2-c2nnn[n-]2)c1 ZINC000824005071 608891678 /nfs/dbraw/zinc/89/16/78/608891678.db2.gz JTTZYRFMHOLQEU-UHFFFAOYSA-N -1 1 283.295 1.070 20 0 CDADMM CC(=O)Nc1cccc(Cn2ccnc2-c2nn[n-]n2)c1 ZINC000824005071 608891679 /nfs/dbraw/zinc/89/16/79/608891679.db2.gz JTTZYRFMHOLQEU-UHFFFAOYSA-N -1 1 283.295 1.070 20 0 CDADMM COC1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CCC1 ZINC000826144287 609553924 /nfs/dbraw/zinc/55/39/24/609553924.db2.gz GGOJALBZQCKQKM-UHFFFAOYSA-N -1 1 294.746 1.896 20 0 CDADMM COC1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CCC1 ZINC000826144287 609553926 /nfs/dbraw/zinc/55/39/26/609553926.db2.gz GGOJALBZQCKQKM-UHFFFAOYSA-N -1 1 294.746 1.896 20 0 CDADMM Cc1coc(C)c1C(=O)[N-]N1C(=O)c2ccccc2C1=O ZINC000807924265 617358545 /nfs/dbraw/zinc/35/85/45/617358545.db2.gz ULDQQULBLWSZRE-UHFFFAOYSA-N -1 1 284.271 1.837 20 0 CDADMM CC(=O)N1CCC[C@H]([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC000945545933 613873761 /nfs/dbraw/zinc/87/37/61/613873761.db2.gz CPINRJKFSUXRMU-JQWIXIFHSA-N -1 1 291.351 1.164 20 0 CDADMM COCc1nc(N2CCC[C@H](COC)C2)cc(=O)[n-]1 ZINC000892511664 617454994 /nfs/dbraw/zinc/45/49/94/617454994.db2.gz IQKZGPHSJYTTNQ-JTQLQIEISA-N -1 1 267.329 1.191 20 0 CDADMM CC(C)=CC(=O)N1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000949530608 614271801 /nfs/dbraw/zinc/27/18/01/614271801.db2.gz CEDAQNWHATYZGB-NSHDSACASA-N -1 1 289.335 1.084 20 0 CDADMM COCc1nc(NCCCc2nccs2)cc(=O)[n-]1 ZINC000892521253 617473540 /nfs/dbraw/zinc/47/35/40/617473540.db2.gz NZTBMJJXYAOSRS-UHFFFAOYSA-N -1 1 280.353 1.830 20 0 CDADMM COCc1nc(NCCCOCC(C)C)cc(=O)[n-]1 ZINC000891596310 617497417 /nfs/dbraw/zinc/49/74/17/617497417.db2.gz RPXNCUGQJYJIGX-UHFFFAOYSA-N -1 1 269.345 1.803 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@H]1C[C@]12CCOC2 ZINC000891618899 617507647 /nfs/dbraw/zinc/50/76/47/617507647.db2.gz UOAKZIJMYBAAIO-BMIGLBTASA-N -1 1 289.335 1.426 20 0 CDADMM CC(=O)CSCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891623268 617509105 /nfs/dbraw/zinc/50/91/05/617509105.db2.gz VBCRAOXUISGGGZ-UHFFFAOYSA-N -1 1 295.364 1.322 20 0 CDADMM C[C@@H]1CCc2n[nH]c(C(=O)[N-]S(=O)(=O)CC3CC3)c2C1 ZINC000892689504 617593023 /nfs/dbraw/zinc/59/30/23/617593023.db2.gz YNVDFQXRXKJQAM-MRVPVSSYSA-N -1 1 297.380 1.004 20 0 CDADMM COCc1nc(NCCOC2CCC2)cc(=O)[n-]1 ZINC000892712249 617626919 /nfs/dbraw/zinc/62/69/19/617626919.db2.gz RGQUSDWVLODSBI-UHFFFAOYSA-N -1 1 253.302 1.310 20 0 CDADMM COCc1nc(NC[C@H](OC)C(C)(C)C)cc(=O)[n-]1 ZINC000892753328 617704077 /nfs/dbraw/zinc/70/40/77/617704077.db2.gz UWAFOCPNONDYCS-VIFPVBQESA-N -1 1 269.345 1.802 20 0 CDADMM CCCc1noc(CN2C[C@H](C(=O)[O-])[C@H](C)C2)n1 ZINC000223822466 617765163 /nfs/dbraw/zinc/76/51/63/617765163.db2.gz YAYXNQNVFJEDLV-BDAKNGLRSA-N -1 1 253.302 1.175 20 0 CDADMM CC(C)OC(=O)c1cc(NC(=O)[C@H]2CCO[C@@H](C)C2)n[nH]1 ZINC000888119089 620750730 /nfs/dbraw/zinc/75/07/30/620750730.db2.gz RZUXXQHGDMPKKP-UWVGGRQHSA-N -1 1 295.339 1.729 20 0 CDADMM Cc1ccn(C)c1C(=O)Nc1cc(C(=O)OC(C)C)[nH]n1 ZINC000888119113 620750962 /nfs/dbraw/zinc/75/09/62/620750962.db2.gz UBBVACZQZDLPCN-UHFFFAOYSA-N -1 1 290.323 1.874 20 0 CDADMM CCC(CC)(CC(=O)[O-])NC(=O)Cc1cnc[nH]1 ZINC000909374959 618003046 /nfs/dbraw/zinc/00/30/46/618003046.db2.gz DOFNHGPXNCBXPN-UHFFFAOYSA-N -1 1 253.302 1.102 20 0 CDADMM CCC1(C[N-]S(=O)(=O)N=S(C)(C)=O)CCCC1 ZINC000866960021 620774988 /nfs/dbraw/zinc/77/49/88/620774988.db2.gz HYUGNBWWPAIFIO-UHFFFAOYSA-N -1 1 282.431 1.519 20 0 CDADMM CCO[C@@H]1C[C@@H](NCc2cc(C(=O)[O-])co2)[C@H]1SC ZINC000901954549 618393712 /nfs/dbraw/zinc/39/37/12/618393712.db2.gz QSURIPNRTIJPDP-IJLUTSLNSA-N -1 1 285.365 1.976 20 0 CDADMM Cc1cnc(C[N-]C(=O)C(F)(F)c2nccs2)nc1 ZINC000910667080 618397322 /nfs/dbraw/zinc/39/73/22/618397322.db2.gz OJEUHBGNFICXTN-UHFFFAOYSA-N -1 1 284.291 1.650 20 0 CDADMM CC[C@H](C(=O)[O-])N(C)C(=O)c1cc2[nH]cnc2cc1F ZINC000902019872 618498652 /nfs/dbraw/zinc/49/86/52/618498652.db2.gz JNBIQNPRGYEMIE-LLVKDONJSA-N -1 1 279.271 1.637 20 0 CDADMM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N(CC(=O)[O-])C2CCC2)C1 ZINC000902037085 618504557 /nfs/dbraw/zinc/50/45/57/618504557.db2.gz WQHNVCRMHIZWNI-SKDRFNHKSA-N -1 1 291.351 1.541 20 0 CDADMM CCN(C(=O)c1cccc2[nH]c(C)nc21)[C@H](C)C(=O)[O-] ZINC000902045168 618512989 /nfs/dbraw/zinc/51/29/89/618512989.db2.gz CCPXHWAHNCIZHI-MRVPVSSYSA-N -1 1 275.308 1.807 20 0 CDADMM CCN(C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21)[C@H](C)C(=O)[O-] ZINC000902047318 618515370 /nfs/dbraw/zinc/51/53/70/618515370.db2.gz PEQPEZOQQSLZOO-FXPVBKGRSA-N -1 1 279.340 1.397 20 0 CDADMM CC(C)C[C@@H](CCO)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824237054 618558560 /nfs/dbraw/zinc/55/85/60/618558560.db2.gz QLJDIMAJHZPMIK-SNVBAGLBSA-N -1 1 291.359 1.113 20 0 CDADMM CC(C)C[C@@H](CCO)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824237054 618558563 /nfs/dbraw/zinc/55/85/63/618558563.db2.gz QLJDIMAJHZPMIK-SNVBAGLBSA-N -1 1 291.359 1.113 20 0 CDADMM C[C@@H]1CN(Cc2cnc(Cl)s2)C[C@@H]1C(=O)[O-] ZINC000828462436 618622427 /nfs/dbraw/zinc/62/24/27/618622427.db2.gz JOOBSNLVACIIMF-SVRRBLITSA-N -1 1 260.746 1.949 20 0 CDADMM COCc1nc(NC[C@H]2CC[C@H](C)O2)cc(=O)[n-]1 ZINC000894147626 618629091 /nfs/dbraw/zinc/62/90/91/618629091.db2.gz BBKMNDVBSYYDRB-DTWKUNHWSA-N -1 1 253.302 1.308 20 0 CDADMM O=C([O-])[C@@H]1CN(C(=O)CCc2cnc[nH]2)Cc2ccccc21 ZINC000909427389 619251243 /nfs/dbraw/zinc/25/12/43/619251243.db2.gz WNKYAIGFBSGSGV-CQSZACIVSA-N -1 1 299.330 1.553 20 0 CDADMM O=C([O-])C[C@@H]1CCCCN1C(=O)CCc1cnc[nH]1 ZINC000909499083 619416709 /nfs/dbraw/zinc/41/67/09/619416709.db2.gz UVXCSAOLVNNSDM-NSHDSACASA-N -1 1 265.313 1.198 20 0 CDADMM C[C@@H]1Cc2cc(CNc3nc4[nH][n-]cc-4c(=O)n3)ccc2O1 ZINC000896044501 619954716 /nfs/dbraw/zinc/95/47/16/619954716.db2.gz ASXOMYCFQULHLG-MRVPVSSYSA-N -1 1 297.318 1.368 20 0 CDADMM C[C@@H]1OC(=O)N[C@@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000896220649 620026910 /nfs/dbraw/zinc/02/69/10/620026910.db2.gz HHLYDTJOSWRGTG-CDUCUWFYSA-N -1 1 279.227 1.751 20 0 CDADMM CCC1(C[N-]S(=O)(=O)N=S(=O)(CC)CC)CC1 ZINC000866927901 620488017 /nfs/dbraw/zinc/48/80/17/620488017.db2.gz JQBSJORTOCQZCO-UHFFFAOYSA-N -1 1 282.431 1.519 20 0 CDADMM CN(C)C1(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)CC1 ZINC000909600452 620491498 /nfs/dbraw/zinc/49/14/98/620491498.db2.gz ODAHAHHFMYQPCV-HNNXBMFYSA-N -1 1 290.363 1.239 20 0 CDADMM C[C@H]1COC[C@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000928909848 620615970 /nfs/dbraw/zinc/61/59/70/620615970.db2.gz MDTVXZWIWXXDSF-POYBYMJQSA-N -1 1 257.236 1.435 20 0 CDADMM C[C@@H]1C[C@H](O)CN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897529730 620925179 /nfs/dbraw/zinc/92/51/79/620925179.db2.gz ULLGGSYZVLBXBB-SKDRFNHKSA-N -1 1 287.315 1.846 20 0 CDADMM CCC(CC)[C@H](C)C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898757628 621861217 /nfs/dbraw/zinc/86/12/17/621861217.db2.gz SAAWZEOBWAUMGH-QMMMGPOBSA-N -1 1 267.329 1.576 20 0 CDADMM O=C(NCc1nc([O-])cc(=O)[nH]1)[C@H]1CCCc2ccccc21 ZINC000898750619 621863739 /nfs/dbraw/zinc/86/37/39/621863739.db2.gz IFNOQPHFYYIPMH-LBPRGKRZSA-N -1 1 299.330 1.624 20 0 CDADMM NS(=O)(=O)c1ccc(-n2[n-]c(CC3CC3)cc2=O)cc1 ZINC000899346820 622195336 /nfs/dbraw/zinc/19/53/36/622195336.db2.gz 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/nfs/dbraw/zinc/30/25/93/1162302593.db2.gz PBDHLQJYTBYYIK-UHFFFAOYSA-N -1 1 288.267 1.171 20 0 CDADMM Cc1cnc(Nc2[n-]c(=O)nc3nc[nH]c32)nc1C ZINC001170226979 1162316842 /nfs/dbraw/zinc/31/68/42/1162316842.db2.gz FKWFRMLSDPSRKZ-UHFFFAOYSA-N -1 1 257.257 1.209 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2nccnc2Cl)[n-]1 ZINC001170227800 1162317723 /nfs/dbraw/zinc/31/77/23/1162317723.db2.gz ULXDGDNANZXOSO-UHFFFAOYSA-N -1 1 263.648 1.246 20 0 CDADMM CSc1ncc(Nc2[n-]c(=O)nc3nc[nH]c32)c(C)n1 ZINC001170229752 1162318819 /nfs/dbraw/zinc/31/88/19/1162318819.db2.gz AAPDIAGQSYCKLV-UHFFFAOYSA-N -1 1 289.324 1.622 20 0 CDADMM CCC[C@@H](C)CC(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001604136104 1163102541 /nfs/dbraw/zinc/10/25/41/1163102541.db2.gz HFJLJOKNNUALNO-MRVPVSSYSA-N -1 1 291.359 1.673 20 0 CDADMM CCC[C@@H](C)CC(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001604136104 1163102544 /nfs/dbraw/zinc/10/25/44/1163102544.db2.gz HFJLJOKNNUALNO-MRVPVSSYSA-N -1 1 291.359 1.673 20 0 CDADMM C[C@H](C(=O)c1c[nH]c2ncccc12)N(C)C[C@H](C)C(=O)[O-] ZINC001604158114 1163110570 /nfs/dbraw/zinc/11/05/70/1163110570.db2.gz DRTXAMSMVAPLOE-VHSXEESVSA-N -1 1 289.335 1.787 20 0 CDADMM CCC[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)o1)OCC ZINC001604144718 1163104720 /nfs/dbraw/zinc/10/47/20/1163104720.db2.gz SOPFMMVSNXYLNO-SECBINFHSA-N -1 1 293.327 1.395 20 0 CDADMM CCC[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)o1)OCC ZINC001604144718 1163104725 /nfs/dbraw/zinc/10/47/25/1163104725.db2.gz SOPFMMVSNXYLNO-SECBINFHSA-N -1 1 293.327 1.395 20 0 CDADMM CCC/C=C/COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001604156846 1163109499 /nfs/dbraw/zinc/10/94/99/1163109499.db2.gz LTIAKLDVFFKMSJ-SNAWJCMRSA-N -1 1 273.296 1.775 20 0 CDADMM CCC/C=C/COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001604156846 1163109506 /nfs/dbraw/zinc/10/95/06/1163109506.db2.gz LTIAKLDVFFKMSJ-SNAWJCMRSA-N -1 1 273.296 1.775 20 0 CDADMM CCN(CCSC)c1cc(C)cc(-c2nnn[n-]2)n1 ZINC001604319048 1163148092 /nfs/dbraw/zinc/14/80/92/1163148092.db2.gz AGUSFOORKCPJOX-UHFFFAOYSA-N -1 1 278.385 1.759 20 0 CDADMM CCN(CCSC)c1cc(C)cc(-c2nn[n-]n2)n1 ZINC001604319048 1163148097 /nfs/dbraw/zinc/14/80/97/1163148097.db2.gz AGUSFOORKCPJOX-UHFFFAOYSA-N -1 1 278.385 1.759 20 0 CDADMM C[C@@H](NCc1nncs1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001604349907 1163161475 /nfs/dbraw/zinc/16/14/75/1163161475.db2.gz REZYCUSVBJVSMU-PWSUYJOCSA-N -1 1 291.376 1.960 20 0 CDADMM CCOC(=O)CSc1cc(C)cc(F)c1-c1nn[n-]n1 ZINC001604374926 1163167389 /nfs/dbraw/zinc/16/73/89/1163167389.db2.gz FLGKKKVTWNZEMB-UHFFFAOYSA-N -1 1 296.327 1.969 20 0 CDADMM C[C@@](O)(CN1CCc2cccc(Cl)c2C1)C(=O)[O-] ZINC001604373712 1163167529 /nfs/dbraw/zinc/16/75/29/1163167529.db2.gz LREIEYKRCLFJLZ-CYBMUJFWSA-N -1 1 269.728 1.534 20 0 CDADMM COc1ncccc1-c1noc(-c2cc(C(C)=O)[n-]n2)n1 ZINC001212431242 1161425133 /nfs/dbraw/zinc/42/51/33/1161425133.db2.gz IXNOBGXWIRENKN-UHFFFAOYSA-N -1 1 285.263 1.733 20 0 CDADMM COc1ncccc1-c1noc(-c2cc(C(C)=O)n[n-]2)n1 ZINC001212431242 1161425138 /nfs/dbraw/zinc/42/51/38/1161425138.db2.gz IXNOBGXWIRENKN-UHFFFAOYSA-N -1 1 285.263 1.733 20 0 CDADMM C[C@@H](c1nccc2ccccc21)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC001604480999 1163201909 /nfs/dbraw/zinc/20/19/09/1163201909.db2.gz NMIRAOKPMFQMBS-SUHUHFCYSA-N -1 1 286.331 1.816 20 0 CDADMM CCc1ccc(CCn2cnc(-c3nn[n-]n3)cc2=O)cc1 ZINC001604522856 1163218072 /nfs/dbraw/zinc/21/80/72/1163218072.db2.gz FAGPQAUAQMKBSK-UHFFFAOYSA-N -1 1 296.334 1.229 20 0 CDADMM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001604763013 1163315217 /nfs/dbraw/zinc/31/52/17/1163315217.db2.gz DRLMTZUCJISFSZ-ORXSELOVSA-N -1 1 291.351 1.397 20 0 CDADMM CO[C@H](Cc1ccccc1)Cn1ccnc1-c1nnn[n-]1 ZINC001605013432 1163418402 /nfs/dbraw/zinc/41/84/02/1163418402.db2.gz XUUKOEVLRHUZPA-GFCCVEGCSA-N -1 1 284.323 1.321 20 0 CDADMM CO[C@H](Cc1ccccc1)Cn1ccnc1-c1nn[n-]n1 ZINC001605013432 1163418405 /nfs/dbraw/zinc/41/84/05/1163418405.db2.gz XUUKOEVLRHUZPA-GFCCVEGCSA-N -1 1 284.323 1.321 20 0 CDADMM CO[C@@H]1C[C@H](Nc2ccc(C)c(-c3nnn[n-]3)n2)C1(C)C ZINC001605025641 1163420809 /nfs/dbraw/zinc/42/08/09/1163420809.db2.gz YBOURUYGKNSFET-VHSXEESVSA-N -1 1 288.355 1.796 20 0 CDADMM CO[C@@H]1C[C@H](Nc2ccc(C)c(-c3nn[n-]n3)n2)C1(C)C ZINC001605025641 1163420812 /nfs/dbraw/zinc/42/08/12/1163420812.db2.gz YBOURUYGKNSFET-VHSXEESVSA-N -1 1 288.355 1.796 20 0 CDADMM COc1cc(C=O)ccc1Oc1cc(-c2nnn[n-]2)ncn1 ZINC001605204976 1163486136 /nfs/dbraw/zinc/48/61/36/1163486136.db2.gz GGMNVGGVEHSRNN-UHFFFAOYSA-N -1 1 298.262 1.270 20 0 CDADMM COc1cc(C=O)ccc1Oc1cc(-c2nn[n-]n2)ncn1 ZINC001605204976 1163486143 /nfs/dbraw/zinc/48/61/43/1163486143.db2.gz GGMNVGGVEHSRNN-UHFFFAOYSA-N -1 1 298.262 1.270 20 0 CDADMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)[C@H](O)c1ccccc1 ZINC000811534893 1163493848 /nfs/dbraw/zinc/49/38/48/1163493848.db2.gz BSKYWTQLFRIHRD-ABAIWWIYSA-N -1 1 299.326 1.813 20 0 CDADMM C[C@@H]1COCCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001605425853 1163560046 /nfs/dbraw/zinc/56/00/46/1163560046.db2.gz VNJVXPWTJHCWRE-RXMQYKEDSA-N -1 1 286.748 1.202 20 0 CDADMM C[C@@H]1COCCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001605425853 1163560049 /nfs/dbraw/zinc/56/00/49/1163560049.db2.gz VNJVXPWTJHCWRE-RXMQYKEDSA-N -1 1 286.748 1.202 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC(Cc3ccco3)C2)n1 ZINC001605558492 1163610092 /nfs/dbraw/zinc/61/00/92/1163610092.db2.gz VYTQUVPNDHCQBV-UHFFFAOYSA-N -1 1 297.322 1.237 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC(Cc3ccco3)C2)n1 ZINC001605558492 1163610094 /nfs/dbraw/zinc/61/00/94/1163610094.db2.gz VYTQUVPNDHCQBV-UHFFFAOYSA-N -1 1 297.322 1.237 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCC(C)(C)n2cccn2)n1 ZINC001605572135 1163612493 /nfs/dbraw/zinc/61/24/93/1163612493.db2.gz BYTFOJNQZSVNSU-UHFFFAOYSA-N -1 1 299.342 1.009 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCC(C)(C)n2cccn2)n1 ZINC001605572135 1163612502 /nfs/dbraw/zinc/61/25/02/1163612502.db2.gz BYTFOJNQZSVNSU-UHFFFAOYSA-N -1 1 299.342 1.009 20 0 CDADMM Cc1cc(NC[C@H]2CCCCO2)cc(-c2nnn[n-]2)n1 ZINC001605730987 1163653647 /nfs/dbraw/zinc/65/36/47/1163653647.db2.gz LWGQSKTUQRYOET-LLVKDONJSA-N -1 1 274.328 1.551 20 0 CDADMM Cc1cc(NC[C@H]2CCCCO2)cc(-c2nn[n-]n2)n1 ZINC001605730987 1163653652 /nfs/dbraw/zinc/65/36/52/1163653652.db2.gz LWGQSKTUQRYOET-LLVKDONJSA-N -1 1 274.328 1.551 20 0 CDADMM CC[S@](=O)CCNCc1ccc(C(=O)[O-])cc1F ZINC001605735244 1163655496 /nfs/dbraw/zinc/65/54/96/1163655496.db2.gz DRPRLEJWLCKKCN-SFHVURJKSA-N -1 1 273.329 1.382 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC(F)CC1 ZINC001605802957 1163674917 /nfs/dbraw/zinc/67/49/17/1163674917.db2.gz RATKMZGKQCOKBB-UHFFFAOYSA-N -1 1 262.292 1.508 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCCC(F)F ZINC001605803997 1163677025 /nfs/dbraw/zinc/67/70/25/1163677025.db2.gz GWJBLKCVZXGZHO-UHFFFAOYSA-N -1 1 254.244 1.637 20 0 CDADMM Cc1ccc(N2CCC[C@@H](CO)CC2)nc1-c1nnn[n-]1 ZINC001605864818 1163696805 /nfs/dbraw/zinc/69/68/05/1163696805.db2.gz OETAOCMOBBTVIH-LLVKDONJSA-N -1 1 288.355 1.169 20 0 CDADMM Cc1ccc(N2CCC[C@@H](CO)CC2)nc1-c1nn[n-]n1 ZINC001605864818 1163696808 /nfs/dbraw/zinc/69/68/08/1163696808.db2.gz OETAOCMOBBTVIH-LLVKDONJSA-N -1 1 288.355 1.169 20 0 CDADMM Cc1ccc(N2CCS[C@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001605867558 1163697624 /nfs/dbraw/zinc/69/76/24/1163697624.db2.gz PTQWAJOGZZOAOT-SECBINFHSA-N -1 1 276.369 1.512 20 0 CDADMM Cc1ccc(N2CCS[C@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001605867558 1163697627 /nfs/dbraw/zinc/69/76/27/1163697627.db2.gz PTQWAJOGZZOAOT-SECBINFHSA-N -1 1 276.369 1.512 20 0 CDADMM Cc1ccc(N[C@@H]2CO[C@@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001605872610 1163699361 /nfs/dbraw/zinc/69/93/61/1163699361.db2.gz ZCRVQDRNSRXGJM-IUCAKERBSA-N -1 1 260.301 1.159 20 0 CDADMM Cc1ccc(N[C@@H]2CO[C@@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001605872610 1163699367 /nfs/dbraw/zinc/69/93/67/1163699367.db2.gz ZCRVQDRNSRXGJM-IUCAKERBSA-N -1 1 260.301 1.159 20 0 CDADMM Cc1ccc([C@@H]2C[C@H]2Nc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001605884619 1163706066 /nfs/dbraw/zinc/70/60/66/1163706066.db2.gz QXBMOQYBDQISME-UONOGXRCSA-N -1 1 292.346 1.960 20 0 CDADMM Cc1ccc([C@@H]2C[C@H]2Nc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001605884619 1163706071 /nfs/dbraw/zinc/70/60/71/1163706071.db2.gz QXBMOQYBDQISME-UONOGXRCSA-N -1 1 292.346 1.960 20 0 CDADMM Cc1ccccc1CNc1ncncc1-c1nn[n-]n1 ZINC001605942071 1163721296 /nfs/dbraw/zinc/72/12/96/1163721296.db2.gz LIVODHPSLOYFDX-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1ccoc1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001605965038 1163729964 /nfs/dbraw/zinc/72/99/64/1163729964.db2.gz IQDJYNBQWLXZPD-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1ccoc1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001605965038 1163729970 /nfs/dbraw/zinc/72/99/70/1163729970.db2.gz IQDJYNBQWLXZPD-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1cnn(C)c1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001605989703 1163738661 /nfs/dbraw/zinc/73/86/61/1163738661.db2.gz PRIAEGBXVCPFMU-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1cnn(C)c1NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001605989703 1163738668 /nfs/dbraw/zinc/73/86/68/1163738668.db2.gz PRIAEGBXVCPFMU-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCc3ccccc32)n1 ZINC001606021169 1163748398 /nfs/dbraw/zinc/74/83/98/1163748398.db2.gz LFKUNPGLQYFXJF-UHFFFAOYSA-N -1 1 279.307 1.659 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCc3ccccc32)n1 ZINC001606021169 1163748404 /nfs/dbraw/zinc/74/84/04/1163748404.db2.gz LFKUNPGLQYFXJF-UHFFFAOYSA-N -1 1 279.307 1.659 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@H](C)CC(C)C)c1-c1nnn[n-]1 ZINC001606110116 1163776018 /nfs/dbraw/zinc/77/60/18/1163776018.db2.gz LPJFIXKZDURGMQ-MRVPVSSYSA-N -1 1 291.359 1.529 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@H](C)CC(C)C)c1-c1nn[n-]n1 ZINC001606110116 1163776022 /nfs/dbraw/zinc/77/60/22/1163776022.db2.gz LPJFIXKZDURGMQ-MRVPVSSYSA-N -1 1 291.359 1.529 20 0 CDADMM Cc1noc([C@@H](C)N(C)c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001606128026 1163781131 /nfs/dbraw/zinc/78/11/31/1163781131.db2.gz NGMGKBDBLAKTFK-SSDOTTSWSA-N -1 1 286.299 1.151 20 0 CDADMM Cc1noc([C@@H](C)N(C)c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001606128026 1163781136 /nfs/dbraw/zinc/78/11/36/1163781136.db2.gz NGMGKBDBLAKTFK-SSDOTTSWSA-N -1 1 286.299 1.151 20 0 CDADMM CN(Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C(=O)[O-])C1CC1 ZINC001606177452 1163798841 /nfs/dbraw/zinc/79/88/41/1163798841.db2.gz IMONFTTVAUWIRT-CYBMUJFWSA-N -1 1 287.319 1.630 20 0 CDADMM Clc1ccc(COc2cnc(-c3nn[n-]n3)nc2)cc1 ZINC001606191075 1163802590 /nfs/dbraw/zinc/80/25/90/1163802590.db2.gz FPGFUNDHKOZUKG-UHFFFAOYSA-N -1 1 288.698 1.889 20 0 CDADMM F[C@H]1CCC[C@@H](Nc2cccnc2-c2nnn[n-]2)C1 ZINC001606299925 1163845208 /nfs/dbraw/zinc/84/52/08/1163845208.db2.gz MIGJURDKUWNKRR-DTWKUNHWSA-N -1 1 262.292 1.954 20 0 CDADMM F[C@H]1CCC[C@@H](Nc2cccnc2-c2nn[n-]n2)C1 ZINC001606299925 1163845211 /nfs/dbraw/zinc/84/52/11/1163845211.db2.gz MIGJURDKUWNKRR-DTWKUNHWSA-N -1 1 262.292 1.954 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Oc1ccccc1F ZINC001606597385 1163937354 /nfs/dbraw/zinc/93/73/54/1163937354.db2.gz BBXHFYUKHUASGM-UHFFFAOYSA-N -1 1 299.265 1.549 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Oc1ccccc1F ZINC001606597385 1163937358 /nfs/dbraw/zinc/93/73/58/1163937358.db2.gz BBXHFYUKHUASGM-UHFFFAOYSA-N -1 1 299.265 1.549 20 0 CDADMM CO[C@@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)C1CC1 ZINC001606651036 1163945665 /nfs/dbraw/zinc/94/56/65/1163945665.db2.gz OKRYLTWMLQRYDP-LLVKDONJSA-N -1 1 289.291 1.625 20 0 CDADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001606978574 1164047373 /nfs/dbraw/zinc/04/73/73/1164047373.db2.gz CFEWYWIONPOIQR-OPRDCNLKSA-N -1 1 288.307 1.939 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001606978574 1164047377 /nfs/dbraw/zinc/04/73/77/1164047377.db2.gz CFEWYWIONPOIQR-OPRDCNLKSA-N -1 1 288.307 1.939 20 0 CDADMM c1ccc2c(c1)CCCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001607132836 1164111993 /nfs/dbraw/zinc/11/19/93/1164111993.db2.gz UYNVRWFAZFZBSP-UHFFFAOYSA-N -1 1 293.334 1.610 20 0 CDADMM c1ccc2c(c1)CCCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001607132836 1164111995 /nfs/dbraw/zinc/11/19/95/1164111995.db2.gz UYNVRWFAZFZBSP-UHFFFAOYSA-N -1 1 293.334 1.610 20 0 CDADMM c1cnc([C@H](Nc2cc(-c3nnn[n-]3)ncn2)C2CC2)nc1 ZINC001607133539 1164112103 /nfs/dbraw/zinc/11/21/03/1164112103.db2.gz JVKMFNMLWJVMSM-LLVKDONJSA-N -1 1 295.310 1.010 20 0 CDADMM c1cnc([C@H](Nc2cc(-c3nn[n-]n3)ncn2)C2CC2)nc1 ZINC001607133539 1164112108 /nfs/dbraw/zinc/11/21/08/1164112108.db2.gz JVKMFNMLWJVMSM-LLVKDONJSA-N -1 1 295.310 1.010 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NCCCC1CCC1 ZINC001607138718 1164118639 /nfs/dbraw/zinc/11/86/39/1164118639.db2.gz JAACDYBPKJAORZ-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NCCCC1CCC1 ZINC001607138718 1164118643 /nfs/dbraw/zinc/11/86/43/1164118643.db2.gz JAACDYBPKJAORZ-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM COc1ccc(CN2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)cc1 ZINC001607254340 1164138343 /nfs/dbraw/zinc/13/83/43/1164138343.db2.gz UHWJAMWTUOZGMW-OAHLLOKOSA-N -1 1 290.319 1.501 20 0 CDADMM COc1ccsc1CN1CCC([C@H](O)C(=O)[O-])CC1 ZINC001607352430 1164153632 /nfs/dbraw/zinc/15/36/32/1164153632.db2.gz KFWPLLRMCZMBMK-LBPRGKRZSA-N -1 1 285.365 1.414 20 0 CDADMM C[C@H](NC(=O)[C@H](C)N[C@@H]1CCc2ccc(F)cc21)C(=O)[O-] ZINC001607460049 1164189239 /nfs/dbraw/zinc/18/92/39/1164189239.db2.gz QLBHQACZHKBAPS-MWODSPESSA-N -1 1 294.326 1.380 20 0 CDADMM Cc1cc(C(=O)[O-])oc1C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC001607602535 1164236945 /nfs/dbraw/zinc/23/69/45/1164236945.db2.gz SNFAWZFAVIOBGP-MNOVXSKESA-N -1 1 292.335 1.595 20 0 CDADMM Cc1cc(C[C@H](C)NC(=O)c2ccccc2C(=O)[O-])n[nH]1 ZINC001607637604 1164246777 /nfs/dbraw/zinc/24/67/77/1164246777.db2.gz JUGMOBJSPFPFAW-VIFPVBQESA-N -1 1 287.319 1.777 20 0 CDADMM Cc1cc(CCC(=O)N[C@H](C(=O)[O-])C2CCCCC2)n[nH]1 ZINC001607637561 1164247173 /nfs/dbraw/zinc/24/71/73/1164247173.db2.gz IDCOWLTZMMYJEA-AWEZNQCLSA-N -1 1 293.367 1.800 20 0 CDADMM Cc1cc(C[C@@H](C)NC(=O)c2ccccc2C(=O)[O-])n[nH]1 ZINC001607637603 1164247818 /nfs/dbraw/zinc/24/78/18/1164247818.db2.gz JUGMOBJSPFPFAW-SECBINFHSA-N -1 1 287.319 1.777 20 0 CDADMM Cc1cc(F)ccc1[C@H](C)NCC(=O)NCCC(=O)[O-] ZINC001607666035 1164263691 /nfs/dbraw/zinc/26/36/91/1164263691.db2.gz FXWDTXVSTBHEJL-JTQLQIEISA-N -1 1 282.315 1.376 20 0 CDADMM Cc1ccc(-c2cc(C(=O)O[C@@H](C(=O)[O-])C3CC3)[nH]n2)o1 ZINC001607715130 1164278501 /nfs/dbraw/zinc/27/85/01/1164278501.db2.gz DFVIABBQXBAPEP-GFCCVEGCSA-N -1 1 290.275 1.998 20 0 CDADMM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCNC[C@@H]1C ZINC001607745444 1164283331 /nfs/dbraw/zinc/28/33/31/1164283331.db2.gz NEAHGDWKKDJTHD-JTQLQIEISA-N -1 1 277.324 1.519 20 0 CDADMM CCc1cccc(C(=O)Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)c1 ZINC001192982935 1164384705 /nfs/dbraw/zinc/38/47/05/1164384705.db2.gz KFFUKHFYARDMRW-UHFFFAOYSA-N -1 1 299.290 1.530 20 0 CDADMM COc1ccnc(C(=O)Nc2nccnc2C2CC2)c1[O-] ZINC001193519658 1164394074 /nfs/dbraw/zinc/39/40/74/1164394074.db2.gz AQGRFTPXTPNGPB-UHFFFAOYSA-N -1 1 286.291 1.716 20 0 CDADMM Cc1scc(CN2CCC[C@H](O)[C@@H]2C(=O)[O-])c1C ZINC001608075784 1164401276 /nfs/dbraw/zinc/40/12/76/1164401276.db2.gz SQNPPHGBVSTNRZ-NWDGAFQWSA-N -1 1 269.366 1.775 20 0 CDADMM Cn1c(CN[C@@H]2C[C@@H](O)c3ccccc32)ccc1C(=O)[O-] ZINC001608104910 1164409721 /nfs/dbraw/zinc/40/97/21/1164409721.db2.gz SKCJWMCQPZAGBB-UKRRQHHQSA-N -1 1 286.331 1.991 20 0 CDADMM Cn1c(CNC2(CF)CCOCC2)ccc1C(=O)[O-] ZINC001608104407 1164410264 /nfs/dbraw/zinc/41/02/64/1164410264.db2.gz OMCCLKDOVQGHOF-UHFFFAOYSA-N -1 1 270.304 1.332 20 0 CDADMM O=C([O-])[C@H](NCc1nnc(C(F)(F)F)s1)C1CC1 ZINC001608553016 1164542751 /nfs/dbraw/zinc/54/27/51/1164542751.db2.gz RKPOHCLWXOZNPB-ZCFIWIBFSA-N -1 1 281.259 1.510 20 0 CDADMM O=C([O-])[C@]1(F)CCN(C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC001608576411 1164552018 /nfs/dbraw/zinc/55/20/18/1164552018.db2.gz YFVSOQZBWIPIDX-YPMHNXCESA-N -1 1 287.718 1.872 20 0 CDADMM O=C([O-])[C@@H]1CCCCCN1Cc1ccc(CO)o1 ZINC001608629330 1164580740 /nfs/dbraw/zinc/58/07/40/1164580740.db2.gz RFPOBABJQKOFHJ-LBPRGKRZSA-N -1 1 253.298 1.601 20 0 CDADMM O=C([O-])[C@@H]1OCC[C@@H]1NCc1cc(F)ccc1F ZINC001608815068 1164645843 /nfs/dbraw/zinc/64/58/43/1164645843.db2.gz RLSCLFILXXFAMW-WDEREUQCSA-N -1 1 257.236 1.297 20 0 CDADMM O=C([O-])c1occc1CN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC001609005859 1164719827 /nfs/dbraw/zinc/71/98/27/1164719827.db2.gz CBXSDDAURVOTMG-FDMGOTLNSA-N -1 1 283.349 1.463 20 0 CDADMM C[C@]1(CNc2cccnc2-c2nnn[n-]2)CCCC[C@H]1O ZINC001609149256 1164796591 /nfs/dbraw/zinc/79/65/91/1164796591.db2.gz GDCJMWDIUKGXLQ-BXUZGUMPSA-N -1 1 288.355 1.615 20 0 CDADMM C[C@]1(CNc2cccnc2-c2nn[n-]n2)CCCC[C@H]1O ZINC001609149256 1164796597 /nfs/dbraw/zinc/79/65/97/1164796597.db2.gz GDCJMWDIUKGXLQ-BXUZGUMPSA-N -1 1 288.355 1.615 20 0 CDADMM C[C@@H]1CC[C@@H](COC(=O)c2csc(-c3nnn[n-]3)c2)O1 ZINC001609160456 1164806054 /nfs/dbraw/zinc/80/60/54/1164806054.db2.gz FOITXNVGWSGDHK-APPZFPTMSA-N -1 1 294.336 1.653 20 0 CDADMM C[C@@H]1CC[C@@H](COC(=O)c2csc(-c3nn[n-]n3)c2)O1 ZINC001609160456 1164806060 /nfs/dbraw/zinc/80/60/60/1164806060.db2.gz FOITXNVGWSGDHK-APPZFPTMSA-N -1 1 294.336 1.653 20 0 CDADMM CC[C@@H]1CCCCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609200712 1164842783 /nfs/dbraw/zinc/84/27/83/1164842783.db2.gz FLTVYOUFTAPTQP-LLVKDONJSA-N -1 1 286.339 1.666 20 0 CDADMM CC[C@@H]1CCCCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609200712 1164842787 /nfs/dbraw/zinc/84/27/87/1164842787.db2.gz FLTVYOUFTAPTQP-LLVKDONJSA-N -1 1 286.339 1.666 20 0 CDADMM CS[C@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001609369002 1164911574 /nfs/dbraw/zinc/91/15/74/1164911574.db2.gz GADJATOIBWNFKI-SECBINFHSA-N -1 1 293.400 1.846 20 0 CDADMM CS[C@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001609369002 1164911583 /nfs/dbraw/zinc/91/15/83/1164911583.db2.gz GADJATOIBWNFKI-SECBINFHSA-N -1 1 293.400 1.846 20 0 CDADMM C[C@@H]1C[C@H]1C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609375585 1164917362 /nfs/dbraw/zinc/91/73/62/1164917362.db2.gz OBIAKQPJNBWZLI-QWWZWVQMSA-N -1 1 284.732 1.571 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)Cc2cnccc2C)n1 ZINC001609391508 1164922578 /nfs/dbraw/zinc/92/25/78/1164922578.db2.gz LMYPBFODERYVSU-UHFFFAOYSA-N -1 1 296.338 1.305 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)Cc2cnccc2C)n1 ZINC001609391508 1164922587 /nfs/dbraw/zinc/92/25/87/1164922587.db2.gz LMYPBFODERYVSU-UHFFFAOYSA-N -1 1 296.338 1.305 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCc2ccc(Cl)o2)n1 ZINC001609392572 1164926880 /nfs/dbraw/zinc/92/68/80/1164926880.db2.gz VVWMPOWJFDANFB-UHFFFAOYSA-N -1 1 291.702 1.824 20 0 CDADMM Cc1cc(NCCCn2cccn2)cc(-c2nnn[n-]2)n1 ZINC001609409324 1164933222 /nfs/dbraw/zinc/93/32/22/1164933222.db2.gz HJXQVGCGTZOHJW-UHFFFAOYSA-N -1 1 284.327 1.269 20 0 CDADMM Cc1cc(NCCCn2cccn2)cc(-c2nn[n-]n2)n1 ZINC001609409324 1164933228 /nfs/dbraw/zinc/93/32/28/1164933228.db2.gz HJXQVGCGTZOHJW-UHFFFAOYSA-N -1 1 284.327 1.269 20 0 CDADMM Cc1ccc(F)cc1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001609424980 1164944136 /nfs/dbraw/zinc/94/41/36/1164944136.db2.gz QYCCNCKGKLKMNX-UHFFFAOYSA-N -1 1 273.275 1.649 20 0 CDADMM Cc1ccc(F)cc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001609424980 1164944147 /nfs/dbraw/zinc/94/41/47/1164944147.db2.gz QYCCNCKGKLKMNX-UHFFFAOYSA-N -1 1 273.275 1.649 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)c1cccc(C)n1 ZINC001609431966 1164945751 /nfs/dbraw/zinc/94/57/51/1164945751.db2.gz VBJZOXSLPICBTH-UHFFFAOYSA-N -1 1 298.306 1.748 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)c1cccc(C)n1 ZINC001609431966 1164945753 /nfs/dbraw/zinc/94/57/53/1164945753.db2.gz VBJZOXSLPICBTH-UHFFFAOYSA-N -1 1 298.306 1.748 20 0 CDADMM Cc1ncsc1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001609457750 1164958618 /nfs/dbraw/zinc/95/86/18/1164958618.db2.gz UXEYNQMDAXXVOK-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM Cc1ncsc1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001609457750 1164958621 /nfs/dbraw/zinc/95/86/21/1164958621.db2.gz UXEYNQMDAXXVOK-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM FCC1(CNc2cccnc2-c2nnn[n-]2)CCOCC1 ZINC001609486789 1164970035 /nfs/dbraw/zinc/97/00/35/1164970035.db2.gz BWIFMBODVNBFPW-UHFFFAOYSA-N -1 1 292.318 1.440 20 0 CDADMM FCC1(CNc2cccnc2-c2nn[n-]n2)CCOCC1 ZINC001609486789 1164970039 /nfs/dbraw/zinc/97/00/39/1164970039.db2.gz BWIFMBODVNBFPW-UHFFFAOYSA-N -1 1 292.318 1.440 20 0 CDADMM Fc1ccccc1COc1cccnc1-c1nnn[n-]1 ZINC001609492583 1164974692 /nfs/dbraw/zinc/97/46/92/1164974692.db2.gz NDJRQQNSAPLMIR-UHFFFAOYSA-N -1 1 271.255 1.980 20 0 CDADMM Fc1ccccc1COc1cccnc1-c1nn[n-]n1 ZINC001609492583 1164974696 /nfs/dbraw/zinc/97/46/96/1164974696.db2.gz NDJRQQNSAPLMIR-UHFFFAOYSA-N -1 1 271.255 1.980 20 0 CDADMM O=C(Cn1ccnc1-c1nnn[n-]1)C1(c2ccccc2)CC1 ZINC001609537456 1164983139 /nfs/dbraw/zinc/98/31/39/1164983139.db2.gz SLTWGGWOGPDOCJ-UHFFFAOYSA-N -1 1 294.318 1.364 20 0 CDADMM O=C(Cn1ccnc1-c1nn[n-]n1)C1(c2ccccc2)CC1 ZINC001609537456 1164983144 /nfs/dbraw/zinc/98/31/44/1164983144.db2.gz SLTWGGWOGPDOCJ-UHFFFAOYSA-N -1 1 294.318 1.364 20 0 CDADMM O=c1c(-c2nn[n-]n2)cn(CCF)c2ccccc12 ZINC001609603905 1165001669 /nfs/dbraw/zinc/00/16/69/1165001669.db2.gz JRCYEFALXWYVRM-UHFFFAOYSA-N -1 1 259.244 1.151 20 0 CDADMM c1cc(-c2nc(C3CCOCC3)no2)oc1-c1nn[n-]n1 ZINC001609612503 1165007664 /nfs/dbraw/zinc/00/76/64/1165007664.db2.gz BICKLFXIBCPIDP-UHFFFAOYSA-N -1 1 288.267 1.404 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC001609613082 1165007789 /nfs/dbraw/zinc/00/77/89/1165007789.db2.gz IVNSEVHWVRCASR-ZFWWWQNUSA-N -1 1 298.350 1.410 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC001609613082 1165007794 /nfs/dbraw/zinc/00/77/94/1165007794.db2.gz IVNSEVHWVRCASR-ZFWWWQNUSA-N -1 1 298.350 1.410 20 0 CDADMM c1ccc([C@@H]2CCN2c2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001609616870 1165011613 /nfs/dbraw/zinc/01/16/13/1165011613.db2.gz IUONADLBAGMQHL-LBPRGKRZSA-N -1 1 279.307 1.608 20 0 CDADMM c1ccc([C@@H]2CCN2c2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001609616870 1165011618 /nfs/dbraw/zinc/01/16/18/1165011618.db2.gz IUONADLBAGMQHL-LBPRGKRZSA-N -1 1 279.307 1.608 20 0 CDADMM c1ncc(N2CCC[C@H]3CCC[C@H]32)nc1-c1nnn[n-]1 ZINC001609620897 1165016991 /nfs/dbraw/zinc/01/69/91/1165016991.db2.gz IPWGVXCDKXUMBU-MWLCHTKSSA-N -1 1 271.328 1.426 20 0 CDADMM c1ncc(N2CCC[C@H]3CCC[C@H]32)nc1-c1nn[n-]n1 ZINC001609620897 1165016997 /nfs/dbraw/zinc/01/69/97/1165016997.db2.gz IPWGVXCDKXUMBU-MWLCHTKSSA-N -1 1 271.328 1.426 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NCC2(C3CC3)CCC2)n1 ZINC001609620881 1165018606 /nfs/dbraw/zinc/01/86/06/1165018606.db2.gz HYIPCXSRCFKXBF-UHFFFAOYSA-N -1 1 271.328 1.649 20 0 CDADMM CC[C@@](C)(NC(=O)c1ccn(-c2ccncc2)n1)C(=O)[O-] ZINC001609896559 1165136278 /nfs/dbraw/zinc/13/62/78/1165136278.db2.gz ULBYZURQORXCFU-CQSZACIVSA-N -1 1 288.307 1.250 20 0 CDADMM CCO[C@@H]1C[C@@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001610029649 1165190536 /nfs/dbraw/zinc/19/05/36/1165190536.db2.gz UXHDEPMWQODNPD-WCBMZHEXSA-N -1 1 289.291 1.625 20 0 CDADMM O=C([O-])[C@H]1CC(=O)N(CN2CCCC3(CCCC3)C2)C1 ZINC001610735630 1165422552 /nfs/dbraw/zinc/42/25/52/1165422552.db2.gz RKNUPHHYAGAFOM-LBPRGKRZSA-N -1 1 280.368 1.533 20 0 CDADMM O=C([O-])Cc1cccc(NC(=O)c2ccc(F)cc2O)n1 ZINC001610796170 1165443877 /nfs/dbraw/zinc/44/38/77/1165443877.db2.gz BGBNTSLPJNJMOA-UHFFFAOYSA-N -1 1 290.250 1.806 20 0 CDADMM O=C([O-])[C@@H]1CC[C@H](c2nc([C@@H]3CCCN3)no2)C1 ZINC001610801654 1165446390 /nfs/dbraw/zinc/44/63/90/1165446390.db2.gz BEQMHUWWHBAYNB-YIZRAAEISA-N -1 1 251.286 1.462 20 0 CDADMM COc1c(C(=O)Nc2c[n-][nH]c2=O)cnn1-c1ccccc1 ZINC001611379966 1165491204 /nfs/dbraw/zinc/49/12/04/1165491204.db2.gz NODRATPCAPELBA-UHFFFAOYSA-N -1 1 299.290 1.562 20 0 CDADMM CC1(C)[C@H](NC(=O)c2ccc([O-])cn2)[C@@H]2CCO[C@H]21 ZINC001618253649 1165626253 /nfs/dbraw/zinc/62/62/53/1165626253.db2.gz PNBNDLFVCMULAC-MVWJERBFSA-N -1 1 262.309 1.331 20 0 CDADMM CCn1cc(CNC(=O)c2ccc(F)c([O-])c2)cn1 ZINC001623521727 1165776327 /nfs/dbraw/zinc/77/63/27/1165776327.db2.gz BOTKPOOVCHGDQO-UHFFFAOYSA-N -1 1 263.272 1.678 20 0 CDADMM CCn1cc(CNC(=O)c2cccc([O-])c2F)cn1 ZINC001626988248 1165972149 /nfs/dbraw/zinc/97/21/49/1165972149.db2.gz BSVYMTHADVRHHI-UHFFFAOYSA-N -1 1 263.272 1.678 20 0 CDADMM O=C(c1cccc([O-])c1F)N1CC(n2ccnc2)C1 ZINC001629333505 1166132297 /nfs/dbraw/zinc/13/22/97/1166132297.db2.gz IGBZAVUSZUGDOL-UHFFFAOYSA-N -1 1 261.256 1.425 20 0 CDADMM O=C(NC[C@@H](O)c1ccco1)c1cccc([O-])c1F ZINC001631286560 1166265095 /nfs/dbraw/zinc/26/50/95/1166265095.db2.gz ZIZNNNAJLGNHRW-SNVBAGLBSA-N -1 1 265.240 1.588 20 0 CDADMM O=C(NN1CCc2ccccc2C1)c1cncc([O-])c1 ZINC001632274712 1166339117 /nfs/dbraw/zinc/33/91/17/1166339117.db2.gz ZOPUHASTLBKIDB-UHFFFAOYSA-N -1 1 269.304 1.490 20 0 CDADMM C[C@](O)(CNC(=O)c1ccc([O-])cn1)c1ccco1 ZINC001634451420 1166500762 /nfs/dbraw/zinc/50/07/62/1166500762.db2.gz NWFDBAIUAVGELJ-ZDUSSCGKSA-N -1 1 262.265 1.018 20 0 CDADMM O=[N+]([O-])c1ccccc1Oc1ccnc(-c2nnn[n-]2)c1 ZINC000095167405 1166603578 /nfs/dbraw/zinc/60/35/78/1166603578.db2.gz YCYWQMWAMGWYTQ-UHFFFAOYSA-N -1 1 284.235 1.962 20 0 CDADMM O=[N+]([O-])c1ccccc1Oc1ccnc(-c2nn[n-]n2)c1 ZINC000095167405 1166603584 /nfs/dbraw/zinc/60/35/84/1166603584.db2.gz YCYWQMWAMGWYTQ-UHFFFAOYSA-N -1 1 284.235 1.962 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cn(-c2ccccc2)cn1 ZINC001637958399 1166806376 /nfs/dbraw/zinc/80/63/76/1166806376.db2.gz XATIVUAYWNPOGC-UHFFFAOYSA-N -1 1 283.291 1.862 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cnc2n[nH]c(C)c2c1 ZINC001637953467 1166806417 /nfs/dbraw/zinc/80/64/17/1166806417.db2.gz ZFBHMQIQUIMVCL-UHFFFAOYSA-N -1 1 272.268 1.256 20 0 CDADMM Cc1ccc(-c2nc(CNC[C@H](O)C(=O)[O-])cs2)cc1 ZINC001646234883 1167716725 /nfs/dbraw/zinc/71/67/25/1167716725.db2.gz UEYVSRGHMFFYPY-LBPRGKRZSA-N -1 1 292.360 1.654 20 0 CDADMM Cc1sc([C@@H]2CCCN2C(=O)CN(C)C)nc1C(=O)[O-] ZINC001650025658 1169623476 /nfs/dbraw/zinc/62/34/76/1169623476.db2.gz MUSZLRRRTHSODQ-VIFPVBQESA-N -1 1 297.380 1.375 20 0 CDADMM O=C(Nc1cccc2[nH]c(=O)[nH]c21)c1ccc([O-])cn1 ZINC001569946974 1170042818 /nfs/dbraw/zinc/04/28/18/1170042818.db2.gz LAJJIWWKIASMRW-UHFFFAOYSA-N -1 1 270.248 1.621 20 0 CDADMM C[C@@H]([NH2+]Cc1cccn1C(F)F)c1nc(C(=O)[O-])n[n-]1 ZINC001573578391 1170697597 /nfs/dbraw/zinc/69/75/97/1170697597.db2.gz DPWCCALQMPRDKT-ZCFIWIBFSA-N -1 1 285.254 1.550 20 0 CDADMM C[C@H](N[C@H]1CCC[C@H]1C(=O)[O-])c1nc(C2CC2)no1 ZINC001573578508 1170697656 /nfs/dbraw/zinc/69/76/56/1170697656.db2.gz GQJOIFNUHUWEGP-SFGNSQDASA-N -1 1 265.313 1.851 20 0 CDADMM CCc1ncc(CNC(=O)CC(C)(C)C(=O)[O-])[nH]1 ZINC001573833299 1170797002 /nfs/dbraw/zinc/79/70/02/1170797002.db2.gz IIHKTKXAYPRSSU-UHFFFAOYSA-N -1 1 253.302 1.089 20 0 CDADMM Cc1cccc(CO[N-]C(=O)[C@H](N)c2ccccc2)n1 ZINC001574164237 1170901370 /nfs/dbraw/zinc/90/13/70/1170901370.db2.gz MZUOJDNWSMTXPD-CQSZACIVSA-N -1 1 271.320 1.638 20 0 CDADMM Cc1[nH]nc(CN[C@@H](C)c2ncccc2C)c1C(=O)[O-] ZINC001574172866 1170905160 /nfs/dbraw/zinc/90/51/60/1170905160.db2.gz NFJJHIMFJOLTGD-JTQLQIEISA-N -1 1 274.324 1.971 20 0 CDADMM O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)c1c[nH]cc2ncnc1-2 ZINC001574398644 1170970807 /nfs/dbraw/zinc/97/08/07/1170970807.db2.gz HPILSMSSZIAAGQ-SXMVTHIZSA-N -1 1 286.291 1.036 20 0 CDADMM CSc1cc(C(=O)Nc2c[n-][nH]c2=O)c(C)o1 ZINC001651044781 1171281855 /nfs/dbraw/zinc/28/18/55/1171281855.db2.gz YEPXFPNEGHKFRE-UHFFFAOYSA-N -1 1 253.283 1.991 20 0 CDADMM C[C@@H]1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC001580444832 1172438205 /nfs/dbraw/zinc/43/82/05/1172438205.db2.gz GCGAERZJRZEZSR-BDAKNGLRSA-N -1 1 291.311 1.099 20 0 CDADMM C[C@@H]1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)C[C@H](C)O1 ZINC001580444832 1172438210 /nfs/dbraw/zinc/43/82/10/1172438210.db2.gz GCGAERZJRZEZSR-BDAKNGLRSA-N -1 1 291.311 1.099 20 0 CDADMM F[C@H]1CCCC[C@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001581852389 1172624223 /nfs/dbraw/zinc/62/42/23/1172624223.db2.gz YKKZRAXVTGHCRU-JGVFFNPUSA-N -1 1 263.280 1.349 20 0 CDADMM F[C@H]1CCCC[C@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001581852389 1172624227 /nfs/dbraw/zinc/62/42/27/1172624227.db2.gz YKKZRAXVTGHCRU-JGVFFNPUSA-N -1 1 263.280 1.349 20 0 CDADMM COCc1nocc1C(=O)[N-]c1nc2ccccn2n1 ZINC001583461874 1172758623 /nfs/dbraw/zinc/75/86/23/1172758623.db2.gz YQNWJKIEGAEDMH-UHFFFAOYSA-N -1 1 273.252 1.116 20 0 CDADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@@H]1C[C@H]1F ZINC001586211234 1172936573 /nfs/dbraw/zinc/93/65/73/1172936573.db2.gz LBLJZDKZSGCORX-GHMZBOCLSA-N -1 1 261.256 1.874 20 0 CDADMM Cc1ccc(C(=O)N(C)c2nn[n-]n2)cc1-n1cccc1 ZINC001586262444 1172938400 /nfs/dbraw/zinc/93/84/00/1172938400.db2.gz RNANXRKXLDIYDN-UHFFFAOYSA-N -1 1 282.307 1.575 20 0 CDADMM CN(C(=O)c1ccccc1Oc1cccnc1)c1nn[n-]n1 ZINC001586262067 1172939260 /nfs/dbraw/zinc/93/92/60/1172939260.db2.gz DKOKOSXOFAAZOG-UHFFFAOYSA-N -1 1 296.290 1.664 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NCC1=CCCCC1 ZINC001588384606 1173056619 /nfs/dbraw/zinc/05/66/19/1173056619.db2.gz ZLDMAZUJZLDGEC-UHFFFAOYSA-N -1 1 257.301 1.569 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NCC1=CCCCC1 ZINC001588384606 1173056625 /nfs/dbraw/zinc/05/66/25/1173056625.db2.gz ZLDMAZUJZLDGEC-UHFFFAOYSA-N -1 1 257.301 1.569 20 0 CDADMM C/C(=C\Cl)CSc1cnc(-c2nnn[n-]2)cn1 ZINC001588768427 1173105447 /nfs/dbraw/zinc/10/54/47/1173105447.db2.gz NMUUFMIFRBJPQY-QHHAFSJGSA-N -1 1 268.733 1.891 20 0 CDADMM C/C(=C\Cl)CSc1cnc(-c2nn[n-]n2)cn1 ZINC001588768427 1173105451 /nfs/dbraw/zinc/10/54/51/1173105451.db2.gz NMUUFMIFRBJPQY-QHHAFSJGSA-N -1 1 268.733 1.891 20 0 CDADMM C[C@H](C(=O)OCc1cccnc1-c1nnn[n-]1)c1ccco1 ZINC001589029628 1173119307 /nfs/dbraw/zinc/11/93/07/1173119307.db2.gz CWXLLLWXDIFMTE-VIFPVBQESA-N -1 1 299.290 1.702 20 0 CDADMM C[C@H](C(=O)OCc1cccnc1-c1nn[n-]n1)c1ccco1 ZINC001589029628 1173119311 /nfs/dbraw/zinc/11/93/11/1173119311.db2.gz CWXLLLWXDIFMTE-VIFPVBQESA-N -1 1 299.290 1.702 20 0 CDADMM CC(C)(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001589104981 1173124824 /nfs/dbraw/zinc/12/48/24/1173124824.db2.gz LPPJIPCAMJDPPU-SECBINFHSA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001589104981 1173124827 /nfs/dbraw/zinc/12/48/27/1173124827.db2.gz LPPJIPCAMJDPPU-SECBINFHSA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001589499492 1173150559 /nfs/dbraw/zinc/15/05/59/1173150559.db2.gz ADNRXKBWKWWABG-ONGXEEELSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001589499492 1173150570 /nfs/dbraw/zinc/15/05/70/1173150570.db2.gz ADNRXKBWKWWABG-ONGXEEELSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001589499489 1173151546 /nfs/dbraw/zinc/15/15/46/1173151546.db2.gz ADNRXKBWKWWABG-GXSJLCMTSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001589499489 1173151549 /nfs/dbraw/zinc/15/15/49/1173151549.db2.gz ADNRXKBWKWWABG-GXSJLCMTSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)CCSCC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001589609674 1173162154 /nfs/dbraw/zinc/16/21/54/1173162154.db2.gz JGRUECNKMWCGEA-UHFFFAOYSA-N -1 1 295.372 1.065 20 0 CDADMM CC(C)CSCCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589653503 1173165148 /nfs/dbraw/zinc/16/51/48/1173165148.db2.gz SXACTZHDHUILNF-UHFFFAOYSA-N -1 1 295.368 1.579 20 0 CDADMM CC(C)CSCCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589653503 1173165154 /nfs/dbraw/zinc/16/51/54/1173165154.db2.gz SXACTZHDHUILNF-UHFFFAOYSA-N -1 1 295.368 1.579 20 0 CDADMM C[C@H](CC(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001589795717 1173184983 /nfs/dbraw/zinc/18/49/83/1173184983.db2.gz YEFBKAIEQQILLJ-MRVPVSSYSA-N -1 1 272.312 1.636 20 0 CDADMM C[C@H](CC(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001589795717 1173184987 /nfs/dbraw/zinc/18/49/87/1173184987.db2.gz YEFBKAIEQQILLJ-MRVPVSSYSA-N -1 1 272.312 1.636 20 0 CDADMM C[C@H](Cc1ccsc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589902256 1173198870 /nfs/dbraw/zinc/19/88/70/1173198870.db2.gz LHQMJADFEYCSPW-MRVPVSSYSA-N -1 1 287.352 1.761 20 0 CDADMM C[C@H](Cc1ccsc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589902256 1173198873 /nfs/dbraw/zinc/19/88/73/1173198873.db2.gz LHQMJADFEYCSPW-MRVPVSSYSA-N -1 1 287.352 1.761 20 0 CDADMM CC(F)(F)CCNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589910432 1173200648 /nfs/dbraw/zinc/20/06/48/1173200648.db2.gz IRKOWUUXWIOGRI-UHFFFAOYSA-N -1 1 297.269 1.429 20 0 CDADMM CC(F)(F)CCNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589910432 1173200653 /nfs/dbraw/zinc/20/06/53/1173200653.db2.gz IRKOWUUXWIOGRI-UHFFFAOYSA-N -1 1 297.269 1.429 20 0 CDADMM C[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccccn1 ZINC001589985475 1173222739 /nfs/dbraw/zinc/22/27/39/1173222739.db2.gz JZSAKYLKFJQRHP-SECBINFHSA-N -1 1 267.296 1.252 20 0 CDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccccn1 ZINC001589985475 1173222746 /nfs/dbraw/zinc/22/27/46/1173222746.db2.gz JZSAKYLKFJQRHP-SECBINFHSA-N -1 1 267.296 1.252 20 0 CDADMM C[C@@H](Sc1cccc(F)c1-c1nn[n-]n1)C(=O)N(C)C ZINC001590035160 1173236982 /nfs/dbraw/zinc/23/69/82/1173236982.db2.gz CJARBFAFGZSUAG-SSDOTTSWSA-N -1 1 295.343 1.575 20 0 CDADMM C[C@H](c1noc(-c2ccc(-c3nnn[n-]3)nc2)n1)C1CC1 ZINC001590056150 1173243951 /nfs/dbraw/zinc/24/39/51/1173243951.db2.gz ZNJUBDXJNGIXFG-ZETCQYMHSA-N -1 1 283.295 1.825 20 0 CDADMM C[C@H](c1noc(-c2ccc(-c3nn[n-]n3)nc2)n1)C1CC1 ZINC001590056150 1173243956 /nfs/dbraw/zinc/24/39/56/1173243956.db2.gz ZNJUBDXJNGIXFG-ZETCQYMHSA-N -1 1 283.295 1.825 20 0 CDADMM CC1(C)C[C@]1(C)CNc1nccnc1-c1nnn[n-]1 ZINC001590086750 1173252606 /nfs/dbraw/zinc/25/26/06/1173252606.db2.gz MCTQUUAEIYVEIZ-GFCCVEGCSA-N -1 1 259.317 1.505 20 0 CDADMM CC1(C)C[C@]1(C)CNc1nccnc1-c1nn[n-]n1 ZINC001590086750 1173252611 /nfs/dbraw/zinc/25/26/11/1173252611.db2.gz MCTQUUAEIYVEIZ-GFCCVEGCSA-N -1 1 259.317 1.505 20 0 CDADMM CC1(C)CC[C@H](Oc2ccc(F)nc2-c2nn[n-]n2)C1=O ZINC001590091131 1173254077 /nfs/dbraw/zinc/25/40/77/1173254077.db2.gz XGDFLZJNXDPRIW-QMMMGPOBSA-N -1 1 291.286 1.537 20 0 CDADMM CC1(C)CCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001590101095 1173256637 /nfs/dbraw/zinc/25/66/37/1173256637.db2.gz WGVLMWSZFRMEJV-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CC1(C)CCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001590101095 1173256632 /nfs/dbraw/zinc/25/66/32/1173256632.db2.gz WGVLMWSZFRMEJV-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CC1(CC(F)F)CN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590123401 1173264729 /nfs/dbraw/zinc/26/47/29/1173264729.db2.gz LMMJTFSKYLCGRJ-UHFFFAOYSA-N -1 1 281.270 1.138 20 0 CDADMM C[C@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCCS1 ZINC001590135084 1173267786 /nfs/dbraw/zinc/26/77/86/1173267786.db2.gz OMVWOFWYRMOTDZ-LLVKDONJSA-N -1 1 277.357 1.354 20 0 CDADMM C[C@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCCS1 ZINC001590135084 1173267790 /nfs/dbraw/zinc/26/77/90/1173267790.db2.gz OMVWOFWYRMOTDZ-LLVKDONJSA-N -1 1 277.357 1.354 20 0 CDADMM C[C@@H]1C[C@H](C(=O)OCc2ccc(-c3nnn[n-]3)o2)[C@@H](C)O1 ZINC001590186077 1173282641 /nfs/dbraw/zinc/28/26/41/1173282641.db2.gz RIOHKXSWRQGUEF-MRTMQBJTSA-N -1 1 292.295 1.316 20 0 CDADMM C[C@@H]1C[C@H](C(=O)OCc2ccc(-c3nn[n-]n3)o2)[C@@H](C)O1 ZINC001590186077 1173282648 /nfs/dbraw/zinc/28/26/48/1173282648.db2.gz RIOHKXSWRQGUEF-MRTMQBJTSA-N -1 1 292.295 1.316 20 0 CDADMM C[C@@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001590240686 1173314196 /nfs/dbraw/zinc/31/41/96/1173314196.db2.gz SWVKWRKOZJWWTR-KXUCPTDWSA-N -1 1 273.344 1.315 20 0 CDADMM C[C@H]1CCC[C@H](C2CN(c3cc(-c4nnn[n-]4)ncn3)C2)C1 ZINC001590244671 1173315839 /nfs/dbraw/zinc/31/58/39/1173315839.db2.gz UAMWAMUXSQRWPV-QWRGUYRKSA-N -1 1 299.382 1.919 20 0 CDADMM C[C@H]1CCC[C@H](C2CN(c3cc(-c4nn[n-]n4)ncn3)C2)C1 ZINC001590244671 1173315845 /nfs/dbraw/zinc/31/58/45/1173315845.db2.gz UAMWAMUXSQRWPV-QWRGUYRKSA-N -1 1 299.382 1.919 20 0 CDADMM C[C@H]1CCC[C@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590244821 1173316370 /nfs/dbraw/zinc/31/63/70/1173316370.db2.gz RRMFTIOSCADCDD-UWVGGRQHSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@H]1CCC[C@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590244821 1173316377 /nfs/dbraw/zinc/31/63/77/1173316377.db2.gz RRMFTIOSCADCDD-UWVGGRQHSA-N -1 1 286.339 1.570 20 0 CDADMM CCC(F)(F)COc1cnc(-c2nn[n-]n2)nc1 ZINC001590451995 1173414801 /nfs/dbraw/zinc/41/48/01/1173414801.db2.gz OHQRFVVXGXUDOA-UHFFFAOYSA-N -1 1 256.216 1.081 20 0 CDADMM CC[C@@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)c1ccncc1 ZINC001590471723 1173422477 /nfs/dbraw/zinc/42/24/77/1173422477.db2.gz MKBYHHMXRYVLSW-LLVKDONJSA-N -1 1 296.338 1.923 20 0 CDADMM CC[C@@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)c1ccncc1 ZINC001590471723 1173422482 /nfs/dbraw/zinc/42/24/82/1173422482.db2.gz MKBYHHMXRYVLSW-LLVKDONJSA-N -1 1 296.338 1.923 20 0 CDADMM CCC1(CNc2cc(-c3nnn[n-]3)ncn2)CCOCC1 ZINC001590495740 1173433510 /nfs/dbraw/zinc/43/35/10/1173433510.db2.gz GTXHZQMOBSRLDR-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM CCC1(CNc2cc(-c3nn[n-]n3)ncn2)CCOCC1 ZINC001590495740 1173433513 /nfs/dbraw/zinc/43/35/13/1173433513.db2.gz GTXHZQMOBSRLDR-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM CC[C@@H]1C[C@@H](Nc2ccc(C)c(-c3nnn[n-]3)n2)CCO1 ZINC001590503754 1173438867 /nfs/dbraw/zinc/43/88/67/1173438867.db2.gz BBLHRPNWBMBPQC-WDEREUQCSA-N -1 1 288.355 1.940 20 0 CDADMM CC[C@@H]1C[C@@H](Nc2ccc(C)c(-c3nn[n-]n3)n2)CCO1 ZINC001590503754 1173438872 /nfs/dbraw/zinc/43/88/72/1173438872.db2.gz BBLHRPNWBMBPQC-WDEREUQCSA-N -1 1 288.355 1.940 20 0 CDADMM CC[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)nc(C)n2)CCO1 ZINC001590506999 1173439273 /nfs/dbraw/zinc/43/92/73/1173439273.db2.gz YGUNQSRKMBOGOK-VHSXEESVSA-N -1 1 289.343 1.335 20 0 CDADMM CC[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)nc(C)n2)CCO1 ZINC001590506999 1173439278 /nfs/dbraw/zinc/43/92/78/1173439278.db2.gz YGUNQSRKMBOGOK-VHSXEESVSA-N -1 1 289.343 1.335 20 0 CDADMM CC[C@@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001590506645 1173440364 /nfs/dbraw/zinc/44/03/64/1173440364.db2.gz URVSWGYSKDYEFD-GHMZBOCLSA-N -1 1 274.328 1.053 20 0 CDADMM CC[C@@H]1CCC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590510793 1173443535 /nfs/dbraw/zinc/44/35/35/1173443535.db2.gz ZVTHNQGRFMTRHQ-BDAKNGLRSA-N -1 1 259.317 1.069 20 0 CDADMM CCCN(CC(F)F)c1ccnc(-c2nn[n-]n2)n1 ZINC001590622564 1173477518 /nfs/dbraw/zinc/47/75/18/1173477518.db2.gz BJDBNEVGGKKURV-UHFFFAOYSA-N -1 1 269.259 1.138 20 0 CDADMM CCC[C@@H]1C[C@H]1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590653601 1173483786 /nfs/dbraw/zinc/48/37/86/1173483786.db2.gz KNMKGXLGXQLAHA-LDYMZIIASA-N -1 1 289.314 1.924 20 0 CDADMM CCC[C@@H]1C[C@H]1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590653601 1173483792 /nfs/dbraw/zinc/48/37/92/1173483792.db2.gz KNMKGXLGXQLAHA-LDYMZIIASA-N -1 1 289.314 1.924 20 0 CDADMM CCOc1ccc(Nc2ncncc2-c2nn[n-]n2)cc1 ZINC001590838793 1173523732 /nfs/dbraw/zinc/52/37/32/1173523732.db2.gz CRNKLPYWYOUURD-UHFFFAOYSA-N -1 1 283.295 1.799 20 0 CDADMM CCO[C@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)ccc2C)C1 ZINC001590823369 1173525976 /nfs/dbraw/zinc/52/59/76/1173525976.db2.gz UPYZKWJQSLUJDC-AOOOYVTPSA-N -1 1 274.328 1.550 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](CC)[C@@H]2C)n1 ZINC001590905603 1173539037 /nfs/dbraw/zinc/53/90/37/1173539037.db2.gz FFUKIJRJUCGRHF-UWVGGRQHSA-N -1 1 287.371 1.844 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](CC)[C@@H]2C)n1 ZINC001590905603 1173539040 /nfs/dbraw/zinc/53/90/40/1173539040.db2.gz FFUKIJRJUCGRHF-UWVGGRQHSA-N -1 1 287.371 1.844 20 0 CDADMM CCc1nc(N[C@@H]2CSC2(C)C)cc(-c2nnn[n-]2)n1 ZINC001590916893 1173541807 /nfs/dbraw/zinc/54/18/07/1173541807.db2.gz XJEMKEDNBCGQAS-MRVPVSSYSA-N -1 1 291.384 1.525 20 0 CDADMM CCc1nc(N[C@@H]2CSC2(C)C)cc(-c2nn[n-]n2)n1 ZINC001590916893 1173541814 /nfs/dbraw/zinc/54/18/14/1173541814.db2.gz XJEMKEDNBCGQAS-MRVPVSSYSA-N -1 1 291.384 1.525 20 0 CDADMM CCc1nc(NCCc2ccc[nH]2)cc(-c2nnn[n-]2)n1 ZINC001590922370 1173545368 /nfs/dbraw/zinc/54/53/68/1173545368.db2.gz ODTLKZJVYOQDOO-UHFFFAOYSA-N -1 1 284.327 1.202 20 0 CDADMM CCc1nc(NCCc2ccc[nH]2)cc(-c2nn[n-]n2)n1 ZINC001590922370 1173545376 /nfs/dbraw/zinc/54/53/76/1173545376.db2.gz ODTLKZJVYOQDOO-UHFFFAOYSA-N -1 1 284.327 1.202 20 0 CDADMM CCn1ccnc1[C@H](C)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001590961574 1173550087 /nfs/dbraw/zinc/55/00/87/1173550087.db2.gz ZXYPZFQRGKVNOL-QMMMGPOBSA-N -1 1 285.315 1.046 20 0 CDADMM CCn1ccnc1[C@H](C)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001590961574 1173550092 /nfs/dbraw/zinc/55/00/92/1173550092.db2.gz ZXYPZFQRGKVNOL-QMMMGPOBSA-N -1 1 285.315 1.046 20 0 CDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)o1)c1ccsc1 ZINC001590992733 1173557995 /nfs/dbraw/zinc/55/79/95/1173557995.db2.gz VTEJNCNNNWZCFC-UHFFFAOYSA-N -1 1 275.293 1.798 20 0 CDADMM CN(CC(=O)C(C)(C)C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591037524 1173565136 /nfs/dbraw/zinc/56/51/36/1173565136.db2.gz NNACNEXWPKCRAS-UHFFFAOYSA-N -1 1 291.311 1.147 20 0 CDADMM CN(CC(=O)C(C)(C)C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591037524 1173565142 /nfs/dbraw/zinc/56/51/42/1173565142.db2.gz NNACNEXWPKCRAS-UHFFFAOYSA-N -1 1 291.311 1.147 20 0 CDADMM CO[C@H](C)CN(C)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591322926 1173609960 /nfs/dbraw/zinc/60/99/60/1173609960.db2.gz GOVPBSLUZDJYJC-MRVPVSSYSA-N -1 1 289.343 1.005 20 0 CDADMM CO[C@H](C)CN(C)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591322926 1173609964 /nfs/dbraw/zinc/60/99/64/1173609964.db2.gz GOVPBSLUZDJYJC-MRVPVSSYSA-N -1 1 289.343 1.005 20 0 CDADMM COC[C@@H](CNc1cccc(-c2nnn[n-]2)n1)C(C)C ZINC001591378798 1173638173 /nfs/dbraw/zinc/63/81/73/1173638173.db2.gz ZZRLIINMBCQBMX-SNVBAGLBSA-N -1 1 276.344 1.592 20 0 CDADMM COC[C@@H](CNc1cccc(-c2nn[n-]n2)n1)C(C)C ZINC001591378798 1173638180 /nfs/dbraw/zinc/63/81/80/1173638180.db2.gz ZZRLIINMBCQBMX-SNVBAGLBSA-N -1 1 276.344 1.592 20 0 CDADMM COc1cccc2c1CN(c1ccnc(-c3nnn[n-]3)c1)C2 ZINC001591643185 1173675919 /nfs/dbraw/zinc/67/59/19/1173675919.db2.gz CBBHKEUAJREOCO-UHFFFAOYSA-N -1 1 294.318 1.791 20 0 CDADMM COc1cccc2c1CN(c1ccnc(-c3nn[n-]n3)c1)C2 ZINC001591643185 1173675922 /nfs/dbraw/zinc/67/59/22/1173675922.db2.gz CBBHKEUAJREOCO-UHFFFAOYSA-N -1 1 294.318 1.791 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCC[C@H](C)C2)n1 ZINC001591882652 1173734443 /nfs/dbraw/zinc/73/44/43/1173734443.db2.gz OOIZIGRXFHAGFI-GXSJLCMTSA-N -1 1 287.371 1.980 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCC[C@H](C)C2)n1 ZINC001591882652 1173734449 /nfs/dbraw/zinc/73/44/49/1173734449.db2.gz OOIZIGRXFHAGFI-GXSJLCMTSA-N -1 1 287.371 1.980 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CC=CCC2)n1 ZINC001591883475 1173735318 /nfs/dbraw/zinc/73/53/18/1173735318.db2.gz OTRFMPHCBAJLGJ-NSHDSACASA-N -1 1 285.355 1.758 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CC=CCC2)n1 ZINC001591883475 1173735327 /nfs/dbraw/zinc/73/53/27/1173735327.db2.gz OTRFMPHCBAJLGJ-NSHDSACASA-N -1 1 285.355 1.758 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCC[C@H]2O)c1 ZINC001591883521 1173735669 /nfs/dbraw/zinc/73/56/69/1173735669.db2.gz SLWYOCDZWHGCJZ-ZYHUDNBSSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCC[C@H]2O)c1 ZINC001591883521 1173735675 /nfs/dbraw/zinc/73/56/75/1173735675.db2.gz SLWYOCDZWHGCJZ-ZYHUDNBSSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC(C)(C)C2)n1 ZINC001591888207 1173738341 /nfs/dbraw/zinc/73/83/41/1173738341.db2.gz GHUOYJPURVQNOA-UHFFFAOYSA-N -1 1 273.344 1.592 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC(C)(C)C2)n1 ZINC001591888207 1173738345 /nfs/dbraw/zinc/73/83/45/1173738345.db2.gz GHUOYJPURVQNOA-UHFFFAOYSA-N -1 1 273.344 1.592 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2Cc3ccc(O)cc3C2)n1 ZINC001591891674 1173740717 /nfs/dbraw/zinc/74/07/17/1173740717.db2.gz UIQYELIMKBYINH-UHFFFAOYSA-N -1 1 295.306 1.191 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2Cc3ccc(O)cc3C2)n1 ZINC001591891674 1173740722 /nfs/dbraw/zinc/74/07/22/1173740722.db2.gz UIQYELIMKBYINH-UHFFFAOYSA-N -1 1 295.306 1.191 20 0 CDADMM Cc1cc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c(C)s1 ZINC001591932898 1173748569 /nfs/dbraw/zinc/74/85/69/1173748569.db2.gz OOQOZHBALPFWSC-UHFFFAOYSA-N -1 1 289.324 1.520 20 0 CDADMM Cc1cc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c(C)s1 ZINC001591932898 1173748579 /nfs/dbraw/zinc/74/85/79/1173748579.db2.gz OOQOZHBALPFWSC-UHFFFAOYSA-N -1 1 289.324 1.520 20 0 CDADMM Cc1cc(CNc2cncc(-c3nnn[n-]3)n2)cc(C)n1 ZINC001591970212 1173763084 /nfs/dbraw/zinc/76/30/84/1173763084.db2.gz ADIRLZGDQPQJLD-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1cc(CNc2cncc(-c3nn[n-]n3)n2)cc(C)n1 ZINC001591970212 1173763093 /nfs/dbraw/zinc/76/30/93/1173763093.db2.gz ADIRLZGDQPQJLD-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1cc(N2C[C@@H](C)[C@@](C)(CO)C2)cc(-c2nnn[n-]2)n1 ZINC001591999526 1173769493 /nfs/dbraw/zinc/76/94/93/1173769493.db2.gz PFOBOUQQDOIFHH-YMTOWFKASA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(N2C[C@@H](C)[C@@](C)(CO)C2)cc(-c2nn[n-]n2)n1 ZINC001591999526 1173769496 /nfs/dbraw/zinc/76/94/96/1173769496.db2.gz PFOBOUQQDOIFHH-YMTOWFKASA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(N2CC[C@H](O)C(C)(C)C2)cc(-c2nnn[n-]2)n1 ZINC001592002200 1173769520 /nfs/dbraw/zinc/76/95/20/1173769520.db2.gz NDXLSPSHMKOTTQ-LBPRGKRZSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(N2CC[C@H](O)C(C)(C)C2)cc(-c2nn[n-]n2)n1 ZINC001592002200 1173769523 /nfs/dbraw/zinc/76/95/23/1173769523.db2.gz NDXLSPSHMKOTTQ-LBPRGKRZSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCCc1cccnc1C ZINC001592112136 1173803443 /nfs/dbraw/zinc/80/34/43/1173803443.db2.gz CYOAGCKJHGJIIN-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(CN(C)c2cc(-c3nnn[n-]3)ncn2)o1 ZINC001592152730 1173815536 /nfs/dbraw/zinc/81/55/36/1173815536.db2.gz YXPUHXMWZAKACD-UHFFFAOYSA-N -1 1 271.284 1.195 20 0 CDADMM Cc1ccc(CN(C)c2cc(-c3nn[n-]n3)ncn2)o1 ZINC001592152730 1173815541 /nfs/dbraw/zinc/81/55/41/1173815541.db2.gz YXPUHXMWZAKACD-UHFFFAOYSA-N -1 1 271.284 1.195 20 0 CDADMM Cc1ccc(COC(=O)c2ccnc(-c3nnn[n-]3)c2)cn1 ZINC001592167240 1173821438 /nfs/dbraw/zinc/82/14/38/1173821438.db2.gz BCRUKKQLYNNUOU-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1ccc(COC(=O)c2ccnc(-c3nn[n-]n3)c2)cn1 ZINC001592167240 1173821445 /nfs/dbraw/zinc/82/14/45/1173821445.db2.gz BCRUKKQLYNNUOU-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1ccc(N2CC[C@@H](C)[C@@H]2C)nc1-c1nnn[n-]1 ZINC001592174992 1173823341 /nfs/dbraw/zinc/82/33/41/1173823341.db2.gz ONQKNSGDLMSOLS-SCZZXKLOSA-N -1 1 258.329 1.805 20 0 CDADMM Cc1ccc(N2CC[C@@H](C)[C@@H]2C)nc1-c1nn[n-]n1 ZINC001592174992 1173823345 /nfs/dbraw/zinc/82/33/45/1173823345.db2.gz ONQKNSGDLMSOLS-SCZZXKLOSA-N -1 1 258.329 1.805 20 0 CDADMM Cc1ccc(NC[C@H]2CCC=CO2)nc1-c1nnn[n-]1 ZINC001592183164 1173826504 /nfs/dbraw/zinc/82/65/04/1173826504.db2.gz OFGKMNMKLVYWQM-SNVBAGLBSA-N -1 1 272.312 1.675 20 0 CDADMM Cc1ccc(NC[C@H]2CCC=CO2)nc1-c1nn[n-]n1 ZINC001592183164 1173826507 /nfs/dbraw/zinc/82/65/07/1173826507.db2.gz OFGKMNMKLVYWQM-SNVBAGLBSA-N -1 1 272.312 1.675 20 0 CDADMM Cc1ccc(NC[C@@H]2C[C@H](C)O[C@H]2C)nc1-c1nnn[n-]1 ZINC001592183310 1173827514 /nfs/dbraw/zinc/82/75/14/1173827514.db2.gz POIWGALOBCBLDV-DCAQKATOSA-N -1 1 288.355 1.796 20 0 CDADMM Cc1ccc(NC[C@@H]2C[C@H](C)O[C@H]2C)nc1-c1nn[n-]n1 ZINC001592183310 1173827520 /nfs/dbraw/zinc/82/75/20/1173827520.db2.gz POIWGALOBCBLDV-DCAQKATOSA-N -1 1 288.355 1.796 20 0 CDADMM Cc1ccc(NCC(C)(C)C[C@H](C)O)c(-c2nnn[n-]2)n1 ZINC001592183592 1173828855 /nfs/dbraw/zinc/82/88/55/1173828855.db2.gz VBEZIJIOAAHSBK-JTQLQIEISA-N -1 1 290.371 1.779 20 0 CDADMM Cc1ccc(NCC(C)(C)C[C@H](C)O)c(-c2nn[n-]n2)n1 ZINC001592183592 1173828861 /nfs/dbraw/zinc/82/88/61/1173828861.db2.gz VBEZIJIOAAHSBK-JTQLQIEISA-N -1 1 290.371 1.779 20 0 CDADMM Cc1ccc(Oc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001592188929 1173830881 /nfs/dbraw/zinc/83/08/81/1173830881.db2.gz MGSFDLLUUDGKAM-UHFFFAOYSA-N -1 1 255.241 1.152 20 0 CDADMM Cc1ccc(Oc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001592188929 1173830886 /nfs/dbraw/zinc/83/08/86/1173830886.db2.gz MGSFDLLUUDGKAM-UHFFFAOYSA-N -1 1 255.241 1.152 20 0 CDADMM Cc1ccccc1[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001592251340 1173836856 /nfs/dbraw/zinc/83/68/56/1173836856.db2.gz HVYIFGHYEYMDSI-LBPRGKRZSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1ccccc1[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001592251340 1173836861 /nfs/dbraw/zinc/83/68/61/1173836861.db2.gz HVYIFGHYEYMDSI-LBPRGKRZSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1ccsc1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001592283385 1173846402 /nfs/dbraw/zinc/84/64/02/1173846402.db2.gz AXXGBQUCYBFRIO-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM Cc1ccsc1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001592283385 1173846406 /nfs/dbraw/zinc/84/64/06/1173846406.db2.gz AXXGBQUCYBFRIO-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM Cc1csc(CNc2n[nH]c(C)c2-c2nnn[n-]2)n1 ZINC001592315738 1173855469 /nfs/dbraw/zinc/85/54/69/1173855469.db2.gz XVXNMNOOVVVUQF-UHFFFAOYSA-N -1 1 276.329 1.275 20 0 CDADMM Cc1csc(CNc2n[nH]c(C)c2-c2nn[n-]n2)n1 ZINC001592315738 1173855473 /nfs/dbraw/zinc/85/54/73/1173855473.db2.gz XVXNMNOOVVVUQF-UHFFFAOYSA-N -1 1 276.329 1.275 20 0 CDADMM Cc1[nH]nc(NC(=O)CCc2ccccc2)c1-c1nn[n-]n1 ZINC001592328767 1173857114 /nfs/dbraw/zinc/85/71/14/1173857114.db2.gz WZTCUSXEFFVKNY-UHFFFAOYSA-N -1 1 297.322 1.470 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@@H]2CC[C@@H](C3CC3)O2)c1C ZINC001592339405 1173859031 /nfs/dbraw/zinc/85/90/31/1173859031.db2.gz KXRVGVFVXNNPLW-RYUDHWBXSA-N -1 1 288.355 1.638 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@@H]2CC[C@@H](C3CC3)O2)c1C ZINC001592339405 1173859033 /nfs/dbraw/zinc/85/90/33/1173859033.db2.gz KXRVGVFVXNNPLW-RYUDHWBXSA-N -1 1 288.355 1.638 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2C[C@@H](C)S[C@@H](C)C2)n1 ZINC001592338266 1173860092 /nfs/dbraw/zinc/86/00/92/1173860092.db2.gz XKBKAGBWNKTSTP-OCAPTIKFSA-N -1 1 291.384 1.295 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2C[C@@H](C)S[C@@H](C)C2)n1 ZINC001592338266 1173860100 /nfs/dbraw/zinc/86/01/00/1173860100.db2.gz XKBKAGBWNKTSTP-OCAPTIKFSA-N -1 1 291.384 1.295 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N(C)CCC(C)(C)C)n1 ZINC001592338631 1173860337 /nfs/dbraw/zinc/86/03/37/1173860337.db2.gz KUSJVRTXUBBAFH-UHFFFAOYSA-N -1 1 275.360 1.838 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCCC(C)(C)CC2)n1 ZINC001592340796 1173862308 /nfs/dbraw/zinc/86/23/08/1173862308.db2.gz IMIAJEAOISUZQC-UHFFFAOYSA-N -1 1 287.371 1.982 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCCC(C)(C)CC2)n1 ZINC001592340796 1173862314 /nfs/dbraw/zinc/86/23/14/1173862314.db2.gz IMIAJEAOISUZQC-UHFFFAOYSA-N -1 1 287.371 1.982 20 0 CDADMM Cc1nc(N[C@H]2CCCc3c[nH]nc32)cc(-c2nn[n-]n2)n1 ZINC001592384066 1173875187 /nfs/dbraw/zinc/87/51/87/1173875187.db2.gz LXBKCHYSACIZHH-VIFPVBQESA-N -1 1 297.326 1.178 20 0 CDADMM Cc1nc(NCCC(F)F)cc(-c2nnn[n-]2)n1 ZINC001592390313 1173878847 /nfs/dbraw/zinc/87/88/47/1173878847.db2.gz ZVMURCOUKSLGDN-UHFFFAOYSA-N -1 1 255.232 1.032 20 0 CDADMM Cc1nc(NCCC(F)F)cc(-c2nn[n-]n2)n1 ZINC001592390313 1173878850 /nfs/dbraw/zinc/87/88/50/1173878850.db2.gz ZVMURCOUKSLGDN-UHFFFAOYSA-N -1 1 255.232 1.032 20 0 CDADMM Cc1ncc(CNc2nc(-c3nn[n-]n3)c(Cl)s2)o1 ZINC001592410375 1173881878 /nfs/dbraw/zinc/88/18/78/1173881878.db2.gz MZUISLGSYJJKGK-UHFFFAOYSA-N -1 1 297.731 1.885 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@@H]2CC[C@@H](C)C2)c1-c1nnn[n-]1 ZINC001592434039 1173886405 /nfs/dbraw/zinc/88/64/05/1173886405.db2.gz NKULMLCTUURJGU-VXNVDRBHSA-N -1 1 289.343 1.283 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@@H]2CC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001592434039 1173886407 /nfs/dbraw/zinc/88/64/07/1173886407.db2.gz NKULMLCTUURJGU-VXNVDRBHSA-N -1 1 289.343 1.283 20 0 CDADMM Cc1nsc(N2CC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001592472361 1173898963 /nfs/dbraw/zinc/89/89/63/1173898963.db2.gz DOEOQKHKXTYPHV-ZCFIWIBFSA-N -1 1 250.331 1.478 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC(C)(C)C(C)(F)F ZINC001592500586 1173907525 /nfs/dbraw/zinc/90/75/25/1173907525.db2.gz XJXGPOCYQRBKJI-UHFFFAOYSA-N -1 1 299.281 1.932 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC(C)(C)C(C)(F)F ZINC001592500586 1173907531 /nfs/dbraw/zinc/90/75/31/1173907531.db2.gz XJXGPOCYQRBKJI-UHFFFAOYSA-N -1 1 299.281 1.932 20 0 CDADMM Clc1ccc(CNc2cccnc2-c2nnn[n-]2)cn1 ZINC001592528141 1173912567 /nfs/dbraw/zinc/91/25/67/1173912567.db2.gz BOHAETMYTZMHPQ-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM Clc1ccc(CNc2cccnc2-c2nn[n-]n2)cn1 ZINC001592528141 1173912569 /nfs/dbraw/zinc/91/25/69/1173912569.db2.gz BOHAETMYTZMHPQ-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM F[C@]1(c2ccccc2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001592631507 1173942762 /nfs/dbraw/zinc/94/27/62/1173942762.db2.gz SMAMNTYPOCIAMS-YGRLFVJLSA-N -1 1 297.297 1.128 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001592753288 1173985941 /nfs/dbraw/zinc/98/59/41/1173985941.db2.gz POLHUFOZPKYNDW-XHNCKOQMSA-N -1 1 287.327 1.112 20 0 CDADMM O=C(CC1CC(F)(F)C1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592810514 1173995054 /nfs/dbraw/zinc/99/50/54/1173995054.db2.gz MBTGKDQQYSAASK-UHFFFAOYSA-N -1 1 294.265 1.636 20 0 CDADMM O=C(CC1CC(F)(F)C1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592810514 1173995059 /nfs/dbraw/zinc/99/50/59/1173995059.db2.gz MBTGKDQQYSAASK-UHFFFAOYSA-N -1 1 294.265 1.636 20 0 CDADMM O=C(CCc1ccco1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592855448 1173998486 /nfs/dbraw/zinc/99/84/86/1173998486.db2.gz RIMJDGDTHBADJS-UHFFFAOYSA-N -1 1 284.279 1.426 20 0 CDADMM O=C(CCc1ccco1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592855448 1173998493 /nfs/dbraw/zinc/99/84/93/1173998493.db2.gz RIMJDGDTHBADJS-UHFFFAOYSA-N -1 1 284.279 1.426 20 0 CDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CC=CCC1 ZINC001593147253 1174026911 /nfs/dbraw/zinc/02/69/11/1174026911.db2.gz HOWJKCQVIUXSOF-LLVKDONJSA-N -1 1 284.323 1.234 20 0 CDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CC=CCC1 ZINC001593147253 1174026917 /nfs/dbraw/zinc/02/69/17/1174026917.db2.gz HOWJKCQVIUXSOF-LLVKDONJSA-N -1 1 284.323 1.234 20 0 CDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)C(C1CC1)C1CC1 ZINC001593147123 1174027778 /nfs/dbraw/zinc/02/77/78/1174027778.db2.gz BLTZFMMNUWBDFY-UHFFFAOYSA-N -1 1 298.350 1.314 20 0 CDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)C(C1CC1)C1CC1 ZINC001593147123 1174027787 /nfs/dbraw/zinc/02/77/87/1174027787.db2.gz BLTZFMMNUWBDFY-UHFFFAOYSA-N -1 1 298.350 1.314 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H]1CC12CCCC2 ZINC001593197582 1174032529 /nfs/dbraw/zinc/03/25/29/1174032529.db2.gz MLKGKJICNJRZKK-MRVPVSSYSA-N -1 1 273.300 1.109 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H]1CC12CCCC2 ZINC001593197582 1174032539 /nfs/dbraw/zinc/03/25/39/1174032539.db2.gz MLKGKJICNJRZKK-MRVPVSSYSA-N -1 1 273.300 1.109 20 0 CDADMM COc1ccc([N-]S(=O)(=O)c2cc(N)ccc2C)cn1 ZINC000021806528 1174032662 /nfs/dbraw/zinc/03/26/62/1174032662.db2.gz SVMUKLQCZOBHLK-UHFFFAOYSA-N -1 1 293.348 1.782 20 0 CDADMM O=C(Nc1cc(F)ccn1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593210047 1174033831 /nfs/dbraw/zinc/03/38/31/1174033831.db2.gz OQVMUIRPSBFPRO-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(Nc1cc(F)ccn1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593210047 1174033834 /nfs/dbraw/zinc/03/38/34/1174033834.db2.gz OQVMUIRPSBFPRO-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(Nc1ccc(O)cc1O)c1coc(-c2nnn[n-]2)c1 ZINC001593235291 1174038545 /nfs/dbraw/zinc/03/85/45/1174038545.db2.gz RUJQDWMSMKQECW-UHFFFAOYSA-N -1 1 287.235 1.123 20 0 CDADMM O=C(Nc1ccc(O)cc1O)c1coc(-c2nn[n-]n2)c1 ZINC001593235291 1174038552 /nfs/dbraw/zinc/03/85/52/1174038552.db2.gz RUJQDWMSMKQECW-UHFFFAOYSA-N -1 1 287.235 1.123 20 0 CDADMM O=C(OC[C@@H]1CC1(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC001593285261 1174051393 /nfs/dbraw/zinc/05/13/93/1174051393.db2.gz RHZPVMYNPFCFGY-YFKPBYRVSA-N -1 1 286.263 1.740 20 0 CDADMM O=C(OC[C@@H]1CC1(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC001593285261 1174051397 /nfs/dbraw/zinc/05/13/97/1174051397.db2.gz RHZPVMYNPFCFGY-YFKPBYRVSA-N -1 1 286.263 1.740 20 0 CDADMM O=C(OC[C@H]1CCCOC1)c1ccsc1-c1nnn[n-]1 ZINC001593284164 1174052547 /nfs/dbraw/zinc/05/25/47/1174052547.db2.gz KMIVYCDTRCNGDK-QMMMGPOBSA-N -1 1 294.336 1.512 20 0 CDADMM O=C(OC[C@H]1CCCOC1)c1ccsc1-c1nn[n-]n1 ZINC001593284164 1174052551 /nfs/dbraw/zinc/05/25/51/1174052551.db2.gz KMIVYCDTRCNGDK-QMMMGPOBSA-N -1 1 294.336 1.512 20 0 CDADMM O=C(OCC[C@H]1CC1(F)F)c1ccc(-c2nn[n-]n2)o1 ZINC001593286588 1174054611 /nfs/dbraw/zinc/05/46/11/1174054611.db2.gz KZKUMQYNSFSQJV-LURJTMIESA-N -1 1 284.222 1.662 20 0 CDADMM O=C(OCCCCC1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593286976 1174054786 /nfs/dbraw/zinc/05/47/86/1174054786.db2.gz BDBOZEUCWWBLMG-UHFFFAOYSA-N -1 1 287.323 1.999 20 0 CDADMM O=C(OCCCCC1CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593286976 1174054790 /nfs/dbraw/zinc/05/47/90/1174054790.db2.gz BDBOZEUCWWBLMG-UHFFFAOYSA-N -1 1 287.323 1.999 20 0 CDADMM O=C(Oc1ccc2c(c1)CCO2)c1ccc(-c2nn[n-]n2)o1 ZINC001593309106 1174063151 /nfs/dbraw/zinc/06/31/51/1174063151.db2.gz XZMLYCMQIWSBGB-UHFFFAOYSA-N -1 1 298.258 1.614 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC2(CCC2)CC1 ZINC001593340257 1174067813 /nfs/dbraw/zinc/06/78/13/1174067813.db2.gz IAYQEWQBFNHPHF-UHFFFAOYSA-N -1 1 287.323 1.866 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC2(CCC2)CC1 ZINC001593340257 1174067818 /nfs/dbraw/zinc/06/78/18/1174067818.db2.gz IAYQEWQBFNHPHF-UHFFFAOYSA-N -1 1 287.323 1.866 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@H](C2CCC2)C1 ZINC001593347645 1174068446 /nfs/dbraw/zinc/06/84/46/1174068446.db2.gz DBAHTFMSLCHSQL-NSHDSACASA-N -1 1 298.350 1.524 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@H](C2CCC2)C1 ZINC001593347645 1174068455 /nfs/dbraw/zinc/06/84/55/1174068455.db2.gz DBAHTFMSLCHSQL-NSHDSACASA-N -1 1 298.350 1.524 20 0 CDADMM Oc1ccc2c(c1)[C@@H](Nc1cncc(-c3nnn[n-]3)n1)CC2 ZINC001593540401 1174111552 /nfs/dbraw/zinc/11/15/52/1174111552.db2.gz UUEDTITVDUOEAX-NSHDSACASA-N -1 1 295.306 1.462 20 0 CDADMM Oc1ccc2c(c1)[C@@H](Nc1cncc(-c3nn[n-]n3)n1)CC2 ZINC001593540401 1174111555 /nfs/dbraw/zinc/11/15/55/1174111555.db2.gz UUEDTITVDUOEAX-NSHDSACASA-N -1 1 295.306 1.462 20 0 CDADMM c1cc(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)ccn1 ZINC001593553519 1174127545 /nfs/dbraw/zinc/12/75/45/1174127545.db2.gz GWBJTBLZGXKXRG-UHFFFAOYSA-N -1 1 294.322 1.541 20 0 CDADMM c1cc(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)ccn1 ZINC001593553519 1174127551 /nfs/dbraw/zinc/12/75/51/1174127551.db2.gz GWBJTBLZGXKXRG-UHFFFAOYSA-N -1 1 294.322 1.541 20 0 CDADMM c1cc(CC2CN(c3ccnc(-c4nnn[n-]4)c3)C2)co1 ZINC001593557459 1174131055 /nfs/dbraw/zinc/13/10/55/1174131055.db2.gz MXZPMQLKXDPHMT-UHFFFAOYSA-N -1 1 282.307 1.534 20 0 CDADMM c1cc(CC2CN(c3ccnc(-c4nn[n-]n4)c3)C2)co1 ZINC001593557459 1174131061 /nfs/dbraw/zinc/13/10/61/1174131061.db2.gz MXZPMQLKXDPHMT-UHFFFAOYSA-N -1 1 282.307 1.534 20 0 CDADMM c1cc(NCCC2SCCS2)cc(-c2nnn[n-]2)n1 ZINC001593561297 1174135540 /nfs/dbraw/zinc/13/55/40/1174135540.db2.gz VQNCABDFLKWWEL-UHFFFAOYSA-N -1 1 294.409 1.870 20 0 CDADMM c1cc(NCCC2SCCS2)cc(-c2nn[n-]n2)n1 ZINC001593561297 1174135545 /nfs/dbraw/zinc/13/55/45/1174135545.db2.gz VQNCABDFLKWWEL-UHFFFAOYSA-N -1 1 294.409 1.870 20 0 CDADMM c1cn(C[C@@H]2CC3(CO2)CCCCC3)c(-c2nnn[n-]2)n1 ZINC001593582492 1174147145 /nfs/dbraw/zinc/14/71/45/1174147145.db2.gz QWUHCXNDIKWSPU-NSHDSACASA-N -1 1 288.355 1.803 20 0 CDADMM c1cn(C[C@@H]2CC3(CO2)CCCCC3)c(-c2nn[n-]n2)n1 ZINC001593582492 1174147149 /nfs/dbraw/zinc/14/71/49/1174147149.db2.gz QWUHCXNDIKWSPU-NSHDSACASA-N -1 1 288.355 1.803 20 0 CDADMM c1cnc(N2CCCCCCCC2)c(-c2nnn[n-]2)n1 ZINC001593583414 1174150875 /nfs/dbraw/zinc/15/08/75/1174150875.db2.gz BSEPKCMIIBLROQ-UHFFFAOYSA-N -1 1 273.344 1.817 20 0 CDADMM c1cnc(N2CCCCCCCC2)c(-c2nn[n-]n2)n1 ZINC001593583414 1174150883 /nfs/dbraw/zinc/15/08/83/1174150883.db2.gz BSEPKCMIIBLROQ-UHFFFAOYSA-N -1 1 273.344 1.817 20 0 CDADMM c1cncc([C@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)c1 ZINC001593587989 1174155088 /nfs/dbraw/zinc/15/50/88/1174155088.db2.gz QXZSUHVCSYWDPV-GFCCVEGCSA-N -1 1 294.322 1.393 20 0 CDADMM c1cncc([C@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)c1 ZINC001593587989 1174155092 /nfs/dbraw/zinc/15/50/92/1174155092.db2.gz QXZSUHVCSYWDPV-GFCCVEGCSA-N -1 1 294.322 1.393 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC001593590377 1174156958 /nfs/dbraw/zinc/15/69/58/1174156958.db2.gz PXRKWNCVMKYOKZ-WDEREUQCSA-N -1 1 285.355 1.673 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC001593590377 1174156968 /nfs/dbraw/zinc/15/69/68/1174156968.db2.gz PXRKWNCVMKYOKZ-WDEREUQCSA-N -1 1 285.355 1.673 20 0 CDADMM c1coc(C2CCN(c3cc(-c4nnn[n-]4)ncn3)CC2)c1 ZINC001593589882 1174157951 /nfs/dbraw/zinc/15/79/51/1174157951.db2.gz VZYHFWJAJVRSRX-UHFFFAOYSA-N -1 1 297.322 1.634 20 0 CDADMM c1coc(C2CCN(c3cc(-c4nn[n-]n4)ncn3)CC2)c1 ZINC001593589882 1174157955 /nfs/dbraw/zinc/15/79/55/1174157955.db2.gz VZYHFWJAJVRSRX-UHFFFAOYSA-N -1 1 297.322 1.634 20 0 CDADMM c1nc(N2CC3(CCC3)[C@H]2C2CC2)cnc1-c1nnn[n-]1 ZINC001593591981 1174160532 /nfs/dbraw/zinc/16/05/32/1174160532.db2.gz YHZQZOVEOIZWOU-GFCCVEGCSA-N -1 1 283.339 1.426 20 0 CDADMM c1nc(N2CC3(CCC3)[C@H]2C2CC2)cnc1-c1nn[n-]n1 ZINC001593591981 1174160538 /nfs/dbraw/zinc/16/05/38/1174160538.db2.gz YHZQZOVEOIZWOU-GFCCVEGCSA-N -1 1 283.339 1.426 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(N[C@@H]2C[C@@H]3CCC[C@H]23)n1 ZINC001593594299 1174162173 /nfs/dbraw/zinc/16/21/73/1174162173.db2.gz AKDKZPWTMCBKJS-OYNCUSHFSA-N -1 1 257.301 1.257 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@@H]1N[C@@H](c1ncc[nH]1)c1cccnc1 ZINC001595171667 1174196961 /nfs/dbraw/zinc/19/69/61/1174196961.db2.gz NHMPQHCHVKXBGA-FRRDWIJNSA-N -1 1 286.335 1.737 20 0 CDADMM CCN(C(=O)c1ccc2n1CCN[C@H]2C)C(C)(C)C(=O)[O-] ZINC001596169968 1174230203 /nfs/dbraw/zinc/23/02/03/1174230203.db2.gz ZKKUGHNIEWHIFH-JTQLQIEISA-N -1 1 293.367 1.478 20 0 CDADMM Cc1cc(C(=O)[O-])oc1C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC001600129066 1174370329 /nfs/dbraw/zinc/37/03/29/1174370329.db2.gz GTGYOIICEKLMNR-LLVKDONJSA-N -1 1 292.335 1.452 20 0 CDADMM Cc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2C(=O)[O-])n[nH]1 ZINC001600183432 1174389935 /nfs/dbraw/zinc/38/99/35/1174389935.db2.gz YGYMYRJXKKJSMV-UMNHJUIQSA-N -1 1 277.324 1.492 20 0 CDADMM Cc1cc(CCC(=O)NC2(CC(=O)[O-])CCCC2)n[nH]1 ZINC001600189076 1174391528 /nfs/dbraw/zinc/39/15/28/1174391528.db2.gz YRPLUDKFXIZHPO-UHFFFAOYSA-N -1 1 279.340 1.554 20 0 CDADMM Cc1cc(CC(=O)O[C@H](CC(C)(C)C)C(=O)[O-])n[nH]1 ZINC001600187180 1174392376 /nfs/dbraw/zinc/39/23/76/1174392376.db2.gz QMTAYOIXUBAYHT-SNVBAGLBSA-N -1 1 268.313 1.693 20 0 CDADMM Cc1cc(CCC(=O)N2CCc3ccc(C(=O)[O-])cc32)n[nH]1 ZINC001600189142 1174393425 /nfs/dbraw/zinc/39/34/25/1174393425.db2.gz LBHATAQSGAOHGS-UHFFFAOYSA-N -1 1 299.330 1.938 20 0 CDADMM Cc1cc(CN[C@@H](C)c2cnn(C)c2)[nH]c1C(=O)[O-] ZINC001600203426 1174405794 /nfs/dbraw/zinc/40/57/94/1174405794.db2.gz KMOOHMXXXPXNHD-VIFPVBQESA-N -1 1 262.313 1.606 20 0 CDADMM Cc1ccc([C@H](CC(=O)[O-])NC(=O)CN2CCCC2)cc1 ZINC001600375114 1174458051 /nfs/dbraw/zinc/45/80/51/1174458051.db2.gz XTCUUMFPMBCRIC-AWEZNQCLSA-N -1 1 290.363 1.723 20 0 CDADMM Cc1ccc(C[N@H+]2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)o1 ZINC001600411169 1174465884 /nfs/dbraw/zinc/46/58/84/1174465884.db2.gz CBYFABBRKWQICW-JYHUIVOISA-N -1 1 293.319 1.585 20 0 CDADMM Cc1nn(C)c(NC(=O)c2cccc(F)c2O)c1C(=O)[O-] ZINC001600774429 1174605352 /nfs/dbraw/zinc/60/53/52/1174605352.db2.gz OFDCELSVSZAVKD-UHFFFAOYSA-N -1 1 293.254 1.524 20 0 CDADMM Cc1oc(C(=O)[O-])cc1-c1nc(C2(N)CCC2)no1 ZINC001600824864 1174630724 /nfs/dbraw/zinc/63/07/24/1174630724.db2.gz YKABJCVGZNCJNN-UHFFFAOYSA-N -1 1 263.253 1.674 20 0 CDADMM Cc1oc(CNc2nccnc2CN)cc1C(=O)[O-] ZINC001600853511 1174644957 /nfs/dbraw/zinc/64/49/57/1174644957.db2.gz WOJBCPMTZFYTNZ-UHFFFAOYSA-N -1 1 262.269 1.147 20 0 CDADMM Cn1nccc1[C@H](NCc1ccccc1CF)C(=O)[O-] ZINC001601034602 1174710151 /nfs/dbraw/zinc/71/01/51/1174710151.db2.gz NFTFMPYYUNBRMO-ZDUSSCGKSA-N -1 1 277.299 1.805 20 0 CDADMM Cn1nccc1CN[C@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001601038983 1174710987 /nfs/dbraw/zinc/71/09/87/1174710987.db2.gz BRYLWDRQRPTMBL-AWEZNQCLSA-N -1 1 277.299 1.649 20 0 CDADMM NC(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC001601157175 1174765478 /nfs/dbraw/zinc/76/54/78/1174765478.db2.gz GJJWFNLRAQMGEN-QWRGUYRKSA-N -1 1 297.742 1.208 20 0 CDADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)C[C@@H]1C=CCCC1 ZINC001601248776 1174810327 /nfs/dbraw/zinc/81/03/27/1174810327.db2.gz OSBFJXYYMWDCKE-ZYHUDNBSSA-N -1 1 277.324 1.268 20 0 CDADMM O=C([O-])[C@]1(NC(=O)c2cccc(F)c2O)CCSC1 ZINC001601432508 1174869651 /nfs/dbraw/zinc/86/96/51/1174869651.db2.gz VIQWVQMUHGFVJB-LBPRGKRZSA-N -1 1 285.296 1.221 20 0 CDADMM O=C([O-])[C@@H](c1ccsc1)N1CCN2C(=O)OCC[C@@H]2C1 ZINC001601697218 1174951539 /nfs/dbraw/zinc/95/15/39/1174951539.db2.gz MJTANFLYZCSFHB-GHMZBOCLSA-N -1 1 296.348 1.400 20 0 CDADMM O=C([O-])C1=NO[C@]2(CC[N@@H+](C[C@@H]3C[C@@H]4CCC[C@H]4O3)C2)C1 ZINC001601742257 1174979437 /nfs/dbraw/zinc/97/94/37/1174979437.db2.gz CIHAPJMEGNLPAN-HTTKSJEASA-N -1 1 294.351 1.249 20 0 CDADMM O=C([O-])Cc1c[nH]n([C@@H]2CCOC3(CCCC3)C2)c1=O ZINC001601941452 1175077131 /nfs/dbraw/zinc/07/71/31/1175077131.db2.gz SEHZCHIAVDSCEM-WDEREUQCSA-N -1 1 280.324 1.397 20 0 CDADMM O=C([O-])CCNC(=O)CN1CC2CC1(c1ccccc1)C2 ZINC001602019334 1175112967 /nfs/dbraw/zinc/11/29/67/1175112967.db2.gz IICJNHAVPNCEDD-UHFFFAOYSA-N -1 1 288.347 1.198 20 0 CDADMM O=C([O-])[C@]12CCC[C@H]1C[N@@H+](Cc1cnc(Cl)cn1)C2 ZINC001602222255 1175173672 /nfs/dbraw/zinc/17/36/72/1175173672.db2.gz ONPGGNBQKFQXHK-ZANVPECISA-N -1 1 281.743 1.817 20 0 CDADMM O=C([O-])[C@]12CCC[C@H]1CN(Cc1cnc(Cl)cn1)C2 ZINC001602222255 1175173675 /nfs/dbraw/zinc/17/36/75/1175173675.db2.gz ONPGGNBQKFQXHK-ZANVPECISA-N -1 1 281.743 1.817 20 0 CDADMM O=C([O-])c1cc(CN[C@H]2COc3ccc(F)cc3C2)on1 ZINC001602259471 1175186885 /nfs/dbraw/zinc/18/68/85/1175186885.db2.gz VQVZKHNBKQYHBX-SNVBAGLBSA-N -1 1 292.266 1.605 20 0 CDADMM O=C([O-])c1cc(CNCCn2cnc3ccccc32)on1 ZINC001602259831 1175187152 /nfs/dbraw/zinc/18/71/52/1175187152.db2.gz CBICGMFMARMDFE-UHFFFAOYSA-N -1 1 286.291 1.512 20 0 CDADMM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)s1 ZINC001602336371 1175210140 /nfs/dbraw/zinc/21/01/40/1175210140.db2.gz VMAFPNGDVULEPO-SSDOTTSWSA-N -1 1 255.295 1.353 20 0 CDADMM O=C([O-])c1cccc2c1OCCN(CCC1OCCO1)C2 ZINC001602461764 1175247727 /nfs/dbraw/zinc/24/77/27/1175247727.db2.gz LRAQGDOXURJMEZ-UHFFFAOYSA-N -1 1 293.319 1.342 20 0 CDADMM O=C([O-])c1ccoc1CN1CCC[C@@H](n2ccnn2)C1 ZINC001602486288 1175259190 /nfs/dbraw/zinc/25/91/90/1175259190.db2.gz VTXDLFZLCHLBHI-SNVBAGLBSA-N -1 1 276.296 1.406 20 0 CDADMM O=C([O-])c1cnoc1CN1CCS[C@@H]2COCC[C@H]21 ZINC001602545191 1175284219 /nfs/dbraw/zinc/28/42/19/1175284219.db2.gz BNTGWCOOSZBLMH-MWLCHTKSSA-N -1 1 284.337 1.079 20 0 CDADMM CC(C)(C)O[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001603104858 1175491345 /nfs/dbraw/zinc/49/13/45/1175491345.db2.gz YRTUHIJMGVUZDM-KYZUINATSA-N -1 1 289.343 1.415 20 0 CDADMM CC(C)(C)O[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001603104858 1175491349 /nfs/dbraw/zinc/49/13/49/1175491349.db2.gz YRTUHIJMGVUZDM-KYZUINATSA-N -1 1 289.343 1.415 20 0 CDADMM CC(C)(C)N1CC[C@@H]1C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC001603344634 1175544893 /nfs/dbraw/zinc/54/48/93/1175544893.db2.gz OJIUSZJWIFTIAF-UMSGYPCISA-N -1 1 294.395 1.571 20 0 CDADMM C[C@@H](CNc1cccnc1-c1nnn[n-]1)C[C@H](C)O ZINC001603696120 1175602188 /nfs/dbraw/zinc/60/21/88/1175602188.db2.gz QLXGQQDJYIPYPX-BDAKNGLRSA-N -1 1 262.317 1.081 20 0 CDADMM C[C@@H](CNc1cccnc1-c1nn[n-]n1)C[C@H](C)O ZINC001603696120 1175602192 /nfs/dbraw/zinc/60/21/92/1175602192.db2.gz QLXGQQDJYIPYPX-BDAKNGLRSA-N -1 1 262.317 1.081 20 0 CDADMM C[C@@H](c1ccccn1)N(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603734997 1175611068 /nfs/dbraw/zinc/61/10/68/1175611068.db2.gz PBFMDPNZGIOWQQ-VIFPVBQESA-N -1 1 298.306 1.688 20 0 CDADMM C[C@@H](c1ccccn1)N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603734997 1175611075 /nfs/dbraw/zinc/61/10/75/1175611075.db2.gz PBFMDPNZGIOWQQ-VIFPVBQESA-N -1 1 298.306 1.688 20 0 CDADMM CC(C)CN(CC(=O)[O-])Cc1c(F)cncc1F ZINC001603804681 1175637988 /nfs/dbraw/zinc/63/79/88/1175637988.db2.gz POPJZAMSXPLUCI-UHFFFAOYSA-N -1 1 258.268 1.902 20 0 CDADMM C[C@@H]1CC[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)[C@@H](C)C1 ZINC001603881192 1175667368 /nfs/dbraw/zinc/66/73/68/1175667368.db2.gz LTQSLDOHOXOLAO-KXUCPTDWSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CC[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)[C@@H](C)C1 ZINC001603881192 1175667371 /nfs/dbraw/zinc/66/73/71/1175667371.db2.gz LTQSLDOHOXOLAO-KXUCPTDWSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@H]1CCC[C@H]1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001603888850 1175672019 /nfs/dbraw/zinc/67/20/19/1175672019.db2.gz BVOPYNQSGFUYNY-UWVGGRQHSA-N -1 1 258.329 1.532 20 0 CDADMM C[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001603888850 1175672026 /nfs/dbraw/zinc/67/20/26/1175672026.db2.gz BVOPYNQSGFUYNY-UWVGGRQHSA-N -1 1 258.329 1.532 20 0 CDADMM C[C@H]1CN(C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)[C@H]1C ZINC001603924338 1175686491 /nfs/dbraw/zinc/68/64/91/1175686491.db2.gz KUNZXSKKUAUDAV-IUCAKERBSA-N -1 1 296.334 1.828 20 0 CDADMM C[C@@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)CC(C)(C)O1 ZINC001603927597 1175687479 /nfs/dbraw/zinc/68/74/79/1175687479.db2.gz MEHCLEQSMQLHHP-MRVPVSSYSA-N -1 1 291.311 1.099 20 0 CDADMM C[C@@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)CC(C)(C)O1 ZINC001603927597 1175687482 /nfs/dbraw/zinc/68/74/82/1175687482.db2.gz MEHCLEQSMQLHHP-MRVPVSSYSA-N -1 1 291.311 1.099 20 0 CDADMM C[C@@H]1Cc2ccccc2CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001603953432 1175697429 /nfs/dbraw/zinc/69/74/29/1175697429.db2.gz WBXRAEKWHAIFRR-SNVBAGLBSA-N -1 1 293.334 1.608 20 0 CDADMM CCC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001603974612 1175704472 /nfs/dbraw/zinc/70/44/72/1175704472.db2.gz PJDYVUJRRBUQJU-UHFFFAOYSA-N -1 1 297.116 1.373 20 0 CDADMM CCC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001603974612 1175704476 /nfs/dbraw/zinc/70/44/76/1175704476.db2.gz PJDYVUJRRBUQJU-UHFFFAOYSA-N -1 1 297.116 1.373 20 0 CDADMM CC(C)c1n[nH]c(NC(=O)C=Cc2ccc(C(=O)[O-])o2)n1 ZINC001604027203 1175726487 /nfs/dbraw/zinc/72/64/87/1175726487.db2.gz XWCHPXSWNXGURU-XQRVVYSFSA-N -1 1 290.279 1.871 20 0 CDADMM CC(C)c1nc(NC(=O)C=Cc2ccc(C(=O)[O-])o2)n[nH]1 ZINC001604027203 1175726494 /nfs/dbraw/zinc/72/64/94/1175726494.db2.gz XWCHPXSWNXGURU-XQRVVYSFSA-N -1 1 290.279 1.871 20 0 CDADMM CC(C)n1cncc1CN1CCC([C@H](O)C(=O)[O-])CC1 ZINC001604041430 1175731634 /nfs/dbraw/zinc/73/16/34/1175731634.db2.gz MUMQONKXISGIAW-ZDUSSCGKSA-N -1 1 281.356 1.122 20 0 CDADMM CC(C)n1ncnc1CN[C@H]1CC=C(C(=O)[O-])C1 ZINC001604048173 1175733444 /nfs/dbraw/zinc/73/34/44/1175733444.db2.gz NFEXHXKJFZJBGM-JTQLQIEISA-N -1 1 250.302 1.122 20 0 CDADMM CC[C@@]1(C)C[N@H+](Cc2cc(-c3nn[nH]n3)cs2)CCO1 ZINC001604084113 1175750500 /nfs/dbraw/zinc/75/05/00/1175750500.db2.gz NEOZCADHHVQUKN-ZDUSSCGKSA-N -1 1 293.396 1.929 20 0 CDADMM CC[C@@]1(C)C[N@@H+](Cc2cc(-c3nn[nH]n3)cs2)CCO1 ZINC001604084113 1175750505 /nfs/dbraw/zinc/75/05/05/1175750505.db2.gz NEOZCADHHVQUKN-ZDUSSCGKSA-N -1 1 293.396 1.929 20 0 CDADMM COC[C@H]1CCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000229788223 1175779483 /nfs/dbraw/zinc/77/94/83/1175779483.db2.gz FFHBKEDBTPHMHZ-VIFPVBQESA-N -1 1 253.273 1.640 20 0 CDADMM CCC[C@](C)(O)CNC(=O)c1ccc([O-])cc1F ZINC000229788092 1178134869 /nfs/dbraw/zinc/13/48/69/1178134869.db2.gz VHJFYLWEWUVFSN-ZDUSSCGKSA-N -1 1 255.289 1.812 20 0 CDADMM O=C(c1ccc([O-])cc1F)N1CCOC[C@H]1C1CC1 ZINC000165392502 1180993533 /nfs/dbraw/zinc/99/35/33/1180993533.db2.gz JCWFGINRHPCDKS-ZDUSSCGKSA-N -1 1 265.284 1.782 20 0 CDADMM COc1cccc(CCC(=O)OCc2nn[n-]n2)c1F ZINC001772361913 1187198599 /nfs/dbraw/zinc/19/85/99/1187198599.db2.gz JIRZPRCHTWFYQL-UHFFFAOYSA-N -1 1 280.259 1.023 20 0 CDADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)c1ccc2c(c1)CCC2 ZINC000392468341 1187281189 /nfs/dbraw/zinc/28/11/89/1187281189.db2.gz PGDHZPQUZFXORX-SECBINFHSA-N -1 1 258.325 1.850 20 0 CDADMM Clc1cc(CNc2ncncc2-c2nn[n-]n2)ccn1 ZINC001606188571 1163802359 /nfs/dbraw/zinc/80/23/59/1163802359.db2.gz WKAKQJFIARYWRS-UHFFFAOYSA-N -1 1 288.702 1.317 20 0 CDADMM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1CCCSC ZINC001606375303 1163881146 /nfs/dbraw/zinc/88/11/46/1163881146.db2.gz RSHKPSVVAIRJPK-NXEZZACHSA-N -1 1 275.370 1.078 20 0 CDADMM CO[C@H](C[N@@H+](CCC(=O)[O-])CC(=O)[O-])C1CCCC1 ZINC001606673889 1163956283 /nfs/dbraw/zinc/95/62/83/1163956283.db2.gz AFPJRZRIQCPNGO-LLVKDONJSA-N -1 1 273.329 1.053 20 0 CDADMM COc1cccc(CN2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1Cl ZINC001607321389 1164146714 /nfs/dbraw/zinc/14/67/14/1164146714.db2.gz DXNXGOCKAMHFTE-QWRGUYRKSA-N -1 1 299.754 1.616 20 0 CDADMM COc1nc(CN2CCC([C@@H](O)C(=O)[O-])CC2)ccc1C ZINC001607356592 1164156020 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ZINC000578994969 324076135 /nfs/dbraw/zinc/07/61/35/324076135.db2.gz GSHLDUJTIDBOKU-UHFFFAOYSA-N -1 1 273.329 1.994 20 0 CDADMM CN(Cc1cnc[nH]1)C(=O)NCCCCCC(=O)[O-] ZINC000579025400 324088272 /nfs/dbraw/zinc/08/82/72/324088272.db2.gz BUIXXHQQLSDHMZ-UHFFFAOYSA-N -1 1 268.317 1.196 20 0 CDADMM CCN(C(=O)c1csc(=NC2CC2)[n-]1)C1COC1 ZINC000583423165 325170982 /nfs/dbraw/zinc/17/09/82/325170982.db2.gz FCKUZBFXRXXZCP-UHFFFAOYSA-N -1 1 267.354 1.000 20 0 CDADMM Cc1nsc(N(C)C[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC001592469381 1173900371 /nfs/dbraw/zinc/90/03/71/1173900371.db2.gz KJUFUZAKDWZMFG-MRVPVSSYSA-N -1 1 280.357 1.104 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)[C@H]1CCCOC1 ZINC001592496053 1173905056 /nfs/dbraw/zinc/90/50/56/1173905056.db2.gz UGOSFDFJCUZSKI-VIFPVBQESA-N -1 1 291.311 1.019 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)[C@H]1CCCOC1 ZINC001592496053 1173905062 /nfs/dbraw/zinc/90/50/62/1173905062.db2.gz UGOSFDFJCUZSKI-VIFPVBQESA-N -1 1 291.311 1.019 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC[C@@H]1CC1(F)F ZINC001592504210 1173906947 /nfs/dbraw/zinc/90/69/47/1173906947.db2.gz ZAEKXTCECGXLRX-SSDOTTSWSA-N -1 1 298.249 1.970 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC[C@@H]1CC1(F)F ZINC001592504210 1173906953 /nfs/dbraw/zinc/90/69/53/1173906953.db2.gz ZAEKXTCECGXLRX-SSDOTTSWSA-N -1 1 298.249 1.970 20 0 CDADMM O=C(CSCc1cccc(Cl)c1)NCc1nn[n-]n1 ZINC000044928138 482449910 /nfs/dbraw/zinc/44/99/10/482449910.db2.gz NVLHHYNEZWJCHM-UHFFFAOYSA-N -1 1 297.771 1.403 20 0 CDADMM CC(=O)c1c(C)[nH]c(C(=O)NCc2nn[n-]n2)c1C(C)C ZINC000677088155 482529762 /nfs/dbraw/zinc/52/97/62/482529762.db2.gz JLMWNQIYSIVUGG-UHFFFAOYSA-N -1 1 290.327 1.092 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2ccc(OCCCO)cc2)c1[O-] ZINC000672317319 482541476 /nfs/dbraw/zinc/54/14/76/482541476.db2.gz DGIXCAVJVMJNCH-UHFFFAOYSA-N -1 1 291.307 1.437 20 0 CDADMM CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000682169961 482619466 /nfs/dbraw/zinc/61/94/66/482619466.db2.gz QKAHVDUFOHEERZ-GFCCVEGCSA-N -1 1 294.326 1.518 20 0 CDADMM C[C@@H](O)C[C@H](C)CNC(=O)c1ccc([O-])c(F)c1 ZINC000681048940 482670676 /nfs/dbraw/zinc/67/06/76/482670676.db2.gz JOKSCXUTOXJWFM-DTWKUNHWSA-N -1 1 255.289 1.668 20 0 CDADMM O=C(NC[C@@H]1CCC[C@H](O)C1)c1ccc([O-])c(F)c1 ZINC000681050233 482671246 /nfs/dbraw/zinc/67/12/46/482671246.db2.gz YCBOOJRVICJKQI-KOLCDFICSA-N -1 1 267.300 1.812 20 0 CDADMM C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1ccc([O-])c(F)c1 ZINC000681054309 482674300 /nfs/dbraw/zinc/67/43/00/482674300.db2.gz MJVSCBJMNMBIJF-GXSJLCMTSA-N -1 1 283.299 1.455 20 0 CDADMM c1ccc(COc2ccnc(NCc3nn[n-]n3)n2)cc1 ZINC000677649472 482739092 /nfs/dbraw/zinc/73/90/92/482739092.db2.gz ALSMHAHAYIKKNF-UHFFFAOYSA-N -1 1 283.295 1.181 20 0 CDADMM Cn1cccc1S(=O)(=O)[N-]c1cc(C2CC2)n[nH]1 ZINC000335231364 482809251 /nfs/dbraw/zinc/80/92/51/482809251.db2.gz KAURRWSDWYIQPJ-UHFFFAOYSA-N -1 1 266.326 1.426 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc([O-])c(F)c2)C[C@@]2(CCOC2)O1 ZINC000684524378 482865232 /nfs/dbraw/zinc/86/52/32/482865232.db2.gz CQICASSAQLAZRI-ZUZCIYMTSA-N -1 1 295.310 1.551 20 0 CDADMM CC(C)[C@H](CNC(=O)[C@@H]1NCCc2ccccc21)C(=O)[O-] ZINC000087513505 482871902 /nfs/dbraw/zinc/87/19/02/482871902.db2.gz SARVGNHCHRXCDE-UONOGXRCSA-N -1 1 290.363 1.346 20 0 CDADMM CC1(C)[C@@H](O)C[C@@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681756785 482994624 /nfs/dbraw/zinc/99/46/24/482994624.db2.gz VMZANHSYYMBDCW-QWRGUYRKSA-N -1 1 253.273 1.421 20 0 CDADMM CN1CCN(C(=O)c2ccc(F)cc2[O-])CC1(C)C ZINC000234326640 483048565 /nfs/dbraw/zinc/04/85/65/483048565.db2.gz ZGFAKGSOYSMDRO-UHFFFAOYSA-N -1 1 266.316 1.698 20 0 CDADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)[C@H](C)N1CCOCC1 ZINC000681041912 483051788 /nfs/dbraw/zinc/05/17/88/483051788.db2.gz WMHRHXWFQXYPMM-QWRGUYRKSA-N -1 1 296.342 1.370 20 0 CDADMM CCC[C@]1(C)C(=O)NCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000682174014 483166014 /nfs/dbraw/zinc/16/60/14/483166014.db2.gz QYWZWQMFIAFJCT-OAHLLOKOSA-N -1 1 294.326 1.662 20 0 CDADMM Cc1nn(C)cc1[C@H]1CCCN1C(=O)c1cncc([O-])c1 ZINC000675257266 483264919 /nfs/dbraw/zinc/26/49/19/483264919.db2.gz WJHHFYJBMYLLJT-CQSZACIVSA-N -1 1 286.335 1.806 20 0 CDADMM O=C([O-])[C@@H](CC1CC1)NC(=O)c1[nH]nc2c1CCCC2 ZINC000679100499 483269871 /nfs/dbraw/zinc/26/98/71/483269871.db2.gz OUFLPCQKQFRSDK-LLVKDONJSA-N -1 1 277.324 1.272 20 0 CDADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@H]1CC12CCC2 ZINC000675414266 483300049 /nfs/dbraw/zinc/30/00/49/483300049.db2.gz LQLDBPFVWBHWNE-VXGBXAGGSA-N -1 1 283.335 1.596 20 0 CDADMM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1ccc([O-])cc1F ZINC000682610727 483306235 /nfs/dbraw/zinc/30/62/35/483306235.db2.gz PFUZZJBURSVTIU-PLMOITTCSA-N -1 1 292.310 1.257 20 0 CDADMM CCCc1cc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)n[nH]1 ZINC000675983531 483390252 /nfs/dbraw/zinc/39/02/52/483390252.db2.gz PUUYOTBFUGVCQJ-QMMMGPOBSA-N -1 1 265.313 1.440 20 0 CDADMM O=C([O-])C1(NC(=O)[C@@H]2CCCc3[nH]ncc32)CCCC1 ZINC000676209636 483436964 /nfs/dbraw/zinc/43/69/64/483436964.db2.gz BPVBTLNXBWWWRP-SECBINFHSA-N -1 1 277.324 1.343 20 0 CDADMM CC(C)C[C@H](NC(=O)[C@H]1CCCc2[nH]ncc21)C(=O)[O-] ZINC000676217154 483439417 /nfs/dbraw/zinc/43/94/17/483439417.db2.gz VUWPGXZOGCPUPY-CABZTGNLSA-N -1 1 279.340 1.445 20 0 CDADMM Cc1sc(C(N)=O)cc1NC(=O)c1ccc(O)cc1[O-] ZINC000676226923 483441494 /nfs/dbraw/zinc/44/14/94/483441494.db2.gz FJTDWJMAKINHMN-UHFFFAOYSA-N -1 1 292.316 1.819 20 0 CDADMM COc1ccc(NC(=O)c2n[nH]c(C)c2[O-])c(OC)c1 ZINC000676630392 483543177 /nfs/dbraw/zinc/54/31/77/483543177.db2.gz OPLYVDJHPSKEPT-UHFFFAOYSA-N -1 1 277.280 1.693 20 0 CDADMM Cc1cncc([N-]S(=O)(=O)c2ccc(N)cc2)c1 ZINC000232072600 1178185172 /nfs/dbraw/zinc/18/51/72/1178185172.db2.gz SCSPKLJAUYPHAT-UHFFFAOYSA-N -1 1 263.322 1.773 20 0 CDADMM CCO[C@@H]1C[C@@H]1C(=O)NCc1n[n-]c(=S)n1CC ZINC000066636510 520387433 /nfs/dbraw/zinc/38/74/33/520387433.db2.gz FQZYSPDJZHJBBC-JGVFFNPUSA-N -1 1 270.358 1.002 20 0 CDADMM CCOC(=O)c1cnc(NC(=O)CCc2ccoc2)[n-]1 ZINC000339390039 521571476 /nfs/dbraw/zinc/57/14/76/521571476.db2.gz AUNAOJPWYQFZPZ-UHFFFAOYSA-N -1 1 277.280 1.751 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)CCc2ccoc2)n1 ZINC000339390039 521571480 /nfs/dbraw/zinc/57/14/80/521571480.db2.gz AUNAOJPWYQFZPZ-UHFFFAOYSA-N -1 1 277.280 1.751 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)c2cnc(C)s2)n1 ZINC000339167757 521574115 /nfs/dbraw/zinc/57/41/15/521574115.db2.gz CEMBDKUMQYKYHX-UHFFFAOYSA-N -1 1 280.309 1.604 20 0 CDADMM CCc1nnc(CN2CCCC[C@@H]2CCC(=O)[O-])o1 ZINC000050924853 522731284 /nfs/dbraw/zinc/73/12/84/522731284.db2.gz HLSKDSKOQNWGMZ-SNVBAGLBSA-N -1 1 267.329 1.851 20 0 CDADMM CCc1oncc1[N-]S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000337876032 523064637 /nfs/dbraw/zinc/06/46/37/523064637.db2.gz UPDFBZMCWQTKPM-UWVGGRQHSA-N -1 1 287.385 1.872 20 0 CDADMM COCCN(CCOc1ccc(OC)cc1)CC(=O)[O-] ZINC000049607419 523727048 /nfs/dbraw/zinc/72/70/48/523727048.db2.gz JTFUKMDOVOUMKR-UHFFFAOYSA-N -1 1 283.324 1.107 20 0 CDADMM COCCN[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000053260119 523961899 /nfs/dbraw/zinc/96/18/99/523961899.db2.gz CYTLLXLPQFQFPE-JTQLQIEISA-N -1 1 261.680 1.841 20 0 CDADMM C[C@@H](NC(=O)c1cncc([O-])c1)[C@H](O)Cc1ccccc1 ZINC000339967547 525374774 /nfs/dbraw/zinc/37/47/74/525374774.db2.gz SHMBZYJOZZEDRN-IAQYHMDHSA-N -1 1 286.331 1.509 20 0 CDADMM Cc1cc(=O)c(C(=O)Nc2ccc(F)cc2[O-])c[nH]1 ZINC000340331908 526132753 /nfs/dbraw/zinc/13/27/53/526132753.db2.gz DSVMSRJECJHYGX-UHFFFAOYSA-N -1 1 262.240 1.780 20 0 CDADMM Cc1cc(CN2CCCO[C@H](C)C2)[nH]c1C(=O)[O-] ZINC001600196691 1174401509 /nfs/dbraw/zinc/40/15/09/1174401509.db2.gz GLVQPGWOXSZSJB-SNVBAGLBSA-N -1 1 252.314 1.632 20 0 CDADMM O=C(Nc1ccc(F)cc1[O-])c1cnc2ccccn2c1=O ZINC000340331968 527213833 /nfs/dbraw/zinc/21/38/33/527213833.db2.gz VLAQXNVYRXHBOH-UHFFFAOYSA-N -1 1 299.261 1.792 20 0 CDADMM O=C(Nc1nc(Cl)ccc1[O-])[C@H]1CCc2nccn2C1 ZINC000365117016 527507633 /nfs/dbraw/zinc/50/76/33/527507633.db2.gz BAFSNFNQUKGTTD-QMMMGPOBSA-N -1 1 292.726 1.838 20 0 CDADMM O=C(Nc1nn[n-]n1)c1ncoc1-c1ccc(F)cc1 ZINC000353421911 527530783 /nfs/dbraw/zinc/53/07/83/527530783.db2.gz VVYPDYNATGIJIM-UHFFFAOYSA-N -1 1 274.215 1.246 20 0 CDADMM O=C([O-])CCC[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000248512423 527586576 /nfs/dbraw/zinc/58/65/76/527586576.db2.gz CLHHPRCLNZRPIT-MXWKQRLJSA-N -1 1 255.314 1.569 20 0 CDADMM O=C([O-])[C@@H](NCC(=O)N1CCc2ccccc2C1)C1CC1 ZINC000054522835 527654297 /nfs/dbraw/zinc/65/42/97/527654297.db2.gz VCSDVNUYIHPWRD-HNNXBMFYSA-N -1 1 288.347 1.024 20 0 CDADMM Cc1cc(N)nc(N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)n1 ZINC001600236657 1174420331 /nfs/dbraw/zinc/42/03/31/1174420331.db2.gz CEQNYOYDTFCYII-SNVBAGLBSA-N -1 1 278.356 1.694 20 0 CDADMM CC[C@H](CCO)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000305189170 529331831 /nfs/dbraw/zinc/33/18/31/529331831.db2.gz GCSZEFCJSHTTFW-MRVPVSSYSA-N -1 1 279.308 1.404 20 0 CDADMM CO[C@H]1C[C@H](NC(=O)c2cncc([O-])c2)C1(C)C ZINC000227819237 536827673 /nfs/dbraw/zinc/82/76/73/536827673.db2.gz DPLAQIFAYKRYPF-QWRGUYRKSA-N -1 1 250.298 1.331 20 0 CDADMM Cc1ccc(CN(C)C[C@H]2[C@H](C(=O)[O-])C2(F)F)o1 ZINC001600410105 1174460502 /nfs/dbraw/zinc/46/05/02/1174460502.db2.gz RQAILUKBESQUKO-VHSXEESVSA-N -1 1 259.252 1.986 20 0 CDADMM Cc1cc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)n[nH]1 ZINC000134969017 538875241 /nfs/dbraw/zinc/87/52/41/538875241.db2.gz RZNSZYBRPADFIW-JTQLQIEISA-N -1 1 279.340 1.681 20 0 CDADMM Cc1cccc(OS(=O)(=O)c2cc(C(=O)[O-])n[nH]2)c1 ZINC001600546440 1174502586 /nfs/dbraw/zinc/50/25/86/1174502586.db2.gz PYOAAXPAVFOVRM-UHFFFAOYSA-N -1 1 282.277 1.184 20 0 CDADMM Cc1nc(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])n[nH]1 ZINC001600671624 1174557869 /nfs/dbraw/zinc/55/78/69/1174557869.db2.gz PQKWRSANVURJSM-UHFFFAOYSA-N -1 1 294.336 1.671 20 0 CDADMM CC[C@]1(C(=O)[O-])CCCN(CC(=O)NCC(F)(F)F)C1 ZINC000062877747 679843104 /nfs/dbraw/zinc/84/31/04/679843104.db2.gz WVDYKOAVQZYYML-NSHDSACASA-N -1 1 296.289 1.242 20 0 CDADMM Cc1cnc(SCO[C@@H]2CCCOC2)[n-]c1=O ZINC000882174679 679849894 /nfs/dbraw/zinc/84/98/94/679849894.db2.gz VVPTWPPHXHLQFQ-SECBINFHSA-N -1 1 256.327 1.736 20 0 CDADMM O=C(NCCn1cncn1)c1c([O-])cccc1Cl ZINC000726622623 574502344 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WRBCHYVTDDSELV-MQQKCMAXSA-N -1 1 271.280 1.437 20 0 CDADMM O=C(CCC1CC1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822950335 606649164 /nfs/dbraw/zinc/64/91/64/606649164.db2.gz KHYYXIKVNCHOAB-UHFFFAOYSA-N -1 1 273.296 1.495 20 0 CDADMM O=C(C=C1CCC1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822916963 606749427 /nfs/dbraw/zinc/74/94/27/606749427.db2.gz JXVSKPNVMYMKOD-UHFFFAOYSA-N -1 1 271.280 1.415 20 0 CDADMM O=C(C=C1CCC1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822916963 606749429 /nfs/dbraw/zinc/74/94/29/606749429.db2.gz JXVSKPNVMYMKOD-UHFFFAOYSA-N -1 1 271.280 1.415 20 0 CDADMM CC(=O)CCCCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819781703 606829019 /nfs/dbraw/zinc/82/90/19/606829019.db2.gz DEEMNAJCRBTAET-UHFFFAOYSA-N -1 1 294.336 1.844 20 0 CDADMM CC(=O)CCCCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819781703 606829021 /nfs/dbraw/zinc/82/90/21/606829021.db2.gz DEEMNAJCRBTAET-UHFFFAOYSA-N -1 1 294.336 1.844 20 0 CDADMM FC1(F)CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC000822736807 606881636 /nfs/dbraw/zinc/88/16/36/606881636.db2.gz KOFSZWWNZWOHJK-LURJTMIESA-N -1 1 267.243 1.256 20 0 CDADMM FC1(F)CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC000822736807 606881638 /nfs/dbraw/zinc/88/16/38/606881638.db2.gz KOFSZWWNZWOHJK-LURJTMIESA-N -1 1 267.243 1.256 20 0 CDADMM Cc1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000095212328 607022527 /nfs/dbraw/zinc/02/25/27/607022527.db2.gz RSXOCPNCZWYJTB-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM Cc1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000095212328 607022528 /nfs/dbraw/zinc/02/25/28/607022528.db2.gz RSXOCPNCZWYJTB-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM c1ccc(NCCCNc2cccc(-c3nn[n-]n3)n2)nc1 ZINC000826522090 607896882 /nfs/dbraw/zinc/89/68/82/607896882.db2.gz LSFZXZYBYXMESB-UHFFFAOYSA-N -1 1 296.338 1.571 20 0 CDADMM Fc1ncccc1Oc1cccc(-c2nnn[n-]2)n1 ZINC000826379200 607901868 /nfs/dbraw/zinc/90/18/68/607901868.db2.gz LQTRAYLUUFPVFT-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM Fc1ncccc1Oc1cccc(-c2nn[n-]n2)n1 ZINC000826379200 607901869 /nfs/dbraw/zinc/90/18/69/607901869.db2.gz LQTRAYLUUFPVFT-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CCSC1 ZINC000825826059 607919037 /nfs/dbraw/zinc/91/90/37/607919037.db2.gz UOSXSVSJWZTDAQ-ZETCQYMHSA-N -1 1 295.393 1.506 20 0 CDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CCSC1 ZINC000825826059 607919038 /nfs/dbraw/zinc/91/90/38/607919038.db2.gz UOSXSVSJWZTDAQ-ZETCQYMHSA-N -1 1 295.393 1.506 20 0 CDADMM Cc1ccc(NC(=O)Cn2ccnc2-c2nnn[n-]2)cc1C ZINC000826290831 608013275 /nfs/dbraw/zinc/01/32/75/608013275.db2.gz BNSMYKGKMSYFLI-UHFFFAOYSA-N -1 1 297.322 1.319 20 0 CDADMM Cc1ccc(NC(=O)Cn2ccnc2-c2nn[n-]n2)cc1C ZINC000826290831 608013276 /nfs/dbraw/zinc/01/32/76/608013276.db2.gz BNSMYKGKMSYFLI-UHFFFAOYSA-N -1 1 297.322 1.319 20 0 CDADMM O=C(NCC[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC000826436075 608133389 /nfs/dbraw/zinc/13/33/89/608133389.db2.gz HEAUUJYKSIVCTE-MRVPVSSYSA-N -1 1 293.352 1.085 20 0 CDADMM O=C(NCC[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC000826436075 608133390 /nfs/dbraw/zinc/13/33/90/608133390.db2.gz HEAUUJYKSIVCTE-MRVPVSSYSA-N -1 1 293.352 1.085 20 0 CDADMM C[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000824961884 608303181 /nfs/dbraw/zinc/30/31/81/608303181.db2.gz KIZVOOCXTWYOPC-RKDXNWHRSA-N -1 1 259.317 1.139 20 0 CDADMM C[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000824961884 608303183 /nfs/dbraw/zinc/30/31/83/608303183.db2.gz KIZVOOCXTWYOPC-RKDXNWHRSA-N -1 1 259.317 1.139 20 0 CDADMM C[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC000824928442 608388443 /nfs/dbraw/zinc/38/84/43/608388443.db2.gz SLUJFPPCHRJIPO-OPRDCNLKSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC000824928442 608388445 /nfs/dbraw/zinc/38/84/45/608388445.db2.gz SLUJFPPCHRJIPO-OPRDCNLKSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H](N(C)c1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC000824466047 608394480 /nfs/dbraw/zinc/39/44/80/608394480.db2.gz VJUVFKFJERRKSX-MRVPVSSYSA-N -1 1 261.333 1.528 20 0 CDADMM C[C@@H](N(C)c1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC000824466047 608394481 /nfs/dbraw/zinc/39/44/81/608394481.db2.gz VJUVFKFJERRKSX-MRVPVSSYSA-N -1 1 261.333 1.528 20 0 CDADMM CC(C)CCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC000824249007 608394866 /nfs/dbraw/zinc/39/48/66/608394866.db2.gz GOUHVCYCFHCLKJ-UHFFFAOYSA-N -1 1 273.344 1.672 20 0 CDADMM CC(C)CCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC000824249007 608394868 /nfs/dbraw/zinc/39/48/68/608394868.db2.gz GOUHVCYCFHCLKJ-UHFFFAOYSA-N -1 1 273.344 1.672 20 0 CDADMM CN(c1ccc(-c2nn[n-]n2)nn1)C(C1CC1)C1CC1 ZINC000826004127 608408862 /nfs/dbraw/zinc/40/88/62/608408862.db2.gz JYOXCJXERIMFEI-UHFFFAOYSA-N -1 1 271.328 1.282 20 0 CDADMM CN(c1ccc(-c2nnn[n-]2)nn1)C(C1CC1)C1CC1 ZINC000826004127 608408860 /nfs/dbraw/zinc/40/88/60/608408860.db2.gz JYOXCJXERIMFEI-UHFFFAOYSA-N -1 1 271.328 1.282 20 0 CDADMM C[C@H](CCc1cccn1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824414287 608424147 /nfs/dbraw/zinc/42/41/47/608424147.db2.gz YSZZPXOSEWMRLR-SNVBAGLBSA-N -1 1 298.354 1.428 20 0 CDADMM C[C@H](CCc1cccn1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824414287 608424149 /nfs/dbraw/zinc/42/41/49/608424149.db2.gz YSZZPXOSEWMRLR-SNVBAGLBSA-N -1 1 298.354 1.428 20 0 CDADMM Cc1cc(F)ccc1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826268794 608430256 /nfs/dbraw/zinc/43/02/56/608430256.db2.gz NWTPHQHNRDCBMU-UHFFFAOYSA-N -1 1 299.313 1.759 20 0 CDADMM Cc1cc(F)ccc1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826268794 608430258 /nfs/dbraw/zinc/43/02/58/608430258.db2.gz NWTPHQHNRDCBMU-UHFFFAOYSA-N -1 1 299.313 1.759 20 0 CDADMM Cc1cc(CN(C)c2nc(-c3nnn[n-]3)ccc2C)no1 ZINC000826266525 608542057 /nfs/dbraw/zinc/54/20/57/608542057.db2.gz RKTZSQKLLDUXPH-UHFFFAOYSA-N -1 1 285.311 1.503 20 0 CDADMM Cc1cc(CN(C)c2nc(-c3nn[n-]n3)ccc2C)no1 ZINC000826266525 608542059 /nfs/dbraw/zinc/54/20/59/608542059.db2.gz RKTZSQKLLDUXPH-UHFFFAOYSA-N -1 1 285.311 1.503 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H]1CCC[C@H]1O ZINC000826280869 608546279 /nfs/dbraw/zinc/54/62/79/608546279.db2.gz UHLXILMFZPBOCF-GXSJLCMTSA-N -1 1 274.328 1.143 20 0 CDADMM C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)[C@@H](C)CO1 ZINC000824984781 608561553 /nfs/dbraw/zinc/56/15/53/608561553.db2.gz NOSVDJWYJFLBPZ-DTWKUNHWSA-N -1 1 263.301 1.069 20 0 CDADMM C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)[C@@H](C)CO1 ZINC000824984781 608561555 /nfs/dbraw/zinc/56/15/55/608561555.db2.gz NOSVDJWYJFLBPZ-DTWKUNHWSA-N -1 1 263.301 1.069 20 0 CDADMM O=C([O-])[C@H](NC1CSC1)c1cc(F)ccc1F ZINC000901637115 624383721 /nfs/dbraw/zinc/38/37/21/624383721.db2.gz NFBZQPZXNHJWMK-SNVBAGLBSA-N -1 1 259.277 1.796 20 0 CDADMM Cc1nnc(CNc2cccc(-c3nnn[n-]3)n2)s1 ZINC000826335705 609577476 /nfs/dbraw/zinc/57/74/76/609577476.db2.gz YDRPNUMCKSZNDP-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM Cc1nnc(CNc2cccc(-c3nn[n-]n3)n2)s1 ZINC000826335705 609577477 /nfs/dbraw/zinc/57/74/77/609577477.db2.gz YDRPNUMCKSZNDP-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM CCC1=C(C(=O)[N-]OCCCC(=O)OC)CCCO1 ZINC000811562775 617208443 /nfs/dbraw/zinc/20/84/43/617208443.db2.gz XFNHOIFVSVIVEQ-UHFFFAOYSA-N -1 1 271.313 1.462 20 0 CDADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H](O)[C@H](F)C1 ZINC000890707953 617292248 /nfs/dbraw/zinc/29/22/48/617292248.db2.gz WZLDJVHWRQWQPZ-KOLCDFICSA-N -1 1 273.691 1.591 20 0 CDADMM O=C(NCC[C@H](O)C1CC1)c1c([O-])cccc1F ZINC000890721107 617304739 /nfs/dbraw/zinc/30/47/39/617304739.db2.gz XEQQQGOLJBMLPM-JTQLQIEISA-N -1 1 253.273 1.422 20 0 CDADMM CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC000952623757 613619941 /nfs/dbraw/zinc/61/99/41/613619941.db2.gz VILDDNBIUYQDDD-TXEJJXNPSA-N -1 1 289.335 1.013 20 0 CDADMM CC(C)C(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000950060265 614365987 /nfs/dbraw/zinc/36/59/87/614365987.db2.gz AJDRPBWCRRXTBW-NSHDSACASA-N -1 1 291.351 1.164 20 0 CDADMM CC1(C)CN(CCF)C[C@H]1NC(=O)c1ncccc1[O-] ZINC000974491897 614654164 /nfs/dbraw/zinc/65/41/64/614654164.db2.gz QDKFGPJOGUWTBA-LLVKDONJSA-N -1 1 281.331 1.197 20 0 CDADMM CCC(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C[C@H]1C ZINC000955448233 614658391 /nfs/dbraw/zinc/65/83/91/614658391.db2.gz NBAFLDDAXNJFRP-GHMZBOCLSA-N -1 1 291.351 1.307 20 0 CDADMM CCN(C(=O)c1ncccc1[O-])C1CN(C(C)C)C1 ZINC000949952310 614796142 /nfs/dbraw/zinc/79/61/42/614796142.db2.gz LFZDTZGVTJYYCP-UHFFFAOYSA-N -1 1 263.341 1.342 20 0 CDADMM CC(C)Cn1ncc(C(=O)N(C)c2nn[n-]n2)c1C(F)F ZINC000892955302 617972915 /nfs/dbraw/zinc/97/29/15/617972915.db2.gz ZEHAHNCECLPHEC-UHFFFAOYSA-N -1 1 299.285 1.266 20 0 CDADMM COCc1nc(N2C[C@H](C)S[C@@H](C)C2)cc(=O)[n-]1 ZINC000892697253 617599722 /nfs/dbraw/zinc/59/97/22/617599722.db2.gz PTNIHRKNDZCNHS-IUCAKERBSA-N -1 1 269.370 1.659 20 0 CDADMM COCc1nc(NC[C@@H](O)c2ccc(C)cc2)cc(=O)[n-]1 ZINC000891809513 617601865 /nfs/dbraw/zinc/60/18/65/617601865.db2.gz NWUMYGADDRIQPC-GFCCVEGCSA-N -1 1 289.335 1.783 20 0 CDADMM COCc1nc(NC[C@@]2(C)CCCC[C@@H]2O)cc(=O)[n-]1 ZINC000892800127 617766797 /nfs/dbraw/zinc/76/67/97/617766797.db2.gz FSWWPFYLGQNNOJ-IINYFYTJSA-N -1 1 281.356 1.682 20 0 CDADMM CC[S@@](C)(=O)=NC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000925823531 617797667 /nfs/dbraw/zinc/79/76/67/617797667.db2.gz YJKLTXJMVHYYPY-QGZVFWFLSA-N -1 1 258.299 1.059 20 0 CDADMM COCc1nc(NC[C@@H]2CSCCS2)cc(=O)[n-]1 ZINC000892861633 617837087 /nfs/dbraw/zinc/83/70/87/617837087.db2.gz VNAUGTQPJZYLOV-MRVPVSSYSA-N -1 1 287.410 1.589 20 0 CDADMM COCc1nc(N[C@@H]2CCC[C@H]3OCC[C@H]32)cc(=O)[n-]1 ZINC000892921132 617897121 /nfs/dbraw/zinc/89/71/21/617897121.db2.gz VEYQCPDEOWVPHA-HBNTYKKESA-N -1 1 279.340 1.698 20 0 CDADMM COCc1nc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc(=O)[n-]1 ZINC000892921130 617897236 /nfs/dbraw/zinc/89/72/36/617897236.db2.gz VEYQCPDEOWVPHA-AXFHLTTASA-N -1 1 279.340 1.698 20 0 CDADMM C[C@@H](Cc1cccc(Cl)c1)C(=O)N(C)c1nn[n-]n1 ZINC000892954607 617976128 /nfs/dbraw/zinc/97/61/28/617976128.db2.gz NICOGPKCNXZUBA-QMMMGPOBSA-N -1 1 279.731 1.695 20 0 CDADMM Cc1cc(C2CCN(C(=O)CCCC(=O)[O-])CC2)n[nH]1 ZINC000843330704 617986959 /nfs/dbraw/zinc/98/69/59/617986959.db2.gz CROMIYIINQZHAY-UHFFFAOYSA-N -1 1 279.340 1.679 20 0 CDADMM COCc1nc(NCC(C)(C)[C@H](O)C(C)C)cc(=O)[n-]1 ZINC000892969208 618001261 /nfs/dbraw/zinc/00/12/61/618001261.db2.gz SBCURGXETXKBPI-CYBMUJFWSA-N -1 1 283.372 1.784 20 0 CDADMM COCc1nc(N2CCC3(CCOCC3)CC2)cc(=O)[n-]1 ZINC000893739342 618007409 /nfs/dbraw/zinc/00/74/09/618007409.db2.gz CXNYATKCHPEFBH-UHFFFAOYSA-N -1 1 293.367 1.726 20 0 CDADMM COCc1nc(NCCc2ccncc2C)cc(=O)[n-]1 ZINC000892977722 618013148 /nfs/dbraw/zinc/01/31/48/618013148.db2.gz UXLGYTVIGGHWQC-UHFFFAOYSA-N -1 1 274.324 1.687 20 0 CDADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2cc(C)co2)o1 ZINC000893749991 618014634 /nfs/dbraw/zinc/01/46/34/618014634.db2.gz ZVKMRIUXDMVJEV-UHFFFAOYSA-N -1 1 299.304 1.446 20 0 CDADMM CO[C@H]1COCC[C@@H]1N(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000893835459 618070134 /nfs/dbraw/zinc/07/01/34/618070134.db2.gz MJCHLSCQGFSCOB-AAEUAGOBSA-N -1 1 299.754 1.922 20 0 CDADMM COCc1nc(N[C@H]2CCO[C@H](C(C)C)C2)cc(=O)[n-]1 ZINC000893096006 618162067 /nfs/dbraw/zinc/16/20/67/618162067.db2.gz ZNENBIDGRLKWKX-QWRGUYRKSA-N -1 1 281.356 1.944 20 0 CDADMM CC[C@@](C)(CNc1cc(=O)[n-]c(COC)n1)OC ZINC000894053169 618311562 /nfs/dbraw/zinc/31/15/62/618311562.db2.gz IYIBFKUCIFZRPM-LBPRGKRZSA-N -1 1 255.318 1.556 20 0 CDADMM Cc1nc2cccc(C(=O)NC[C@@H](C)C(=O)[O-])c2[nH]1 ZINC000902025201 618465336 /nfs/dbraw/zinc/46/53/36/618465336.db2.gz YHPVYOJWOVOUOR-SSDOTTSWSA-N -1 1 261.281 1.322 20 0 CDADMM CC(C)OC(=O)[C@H](C)N(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000824304834 618563548 /nfs/dbraw/zinc/56/35/48/618563548.db2.gz FQTUCJOKXUUDLV-VIFPVBQESA-N -1 1 293.327 1.232 20 0 CDADMM CC(C)OC(=O)[C@H](C)N(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000824304834 618563553 /nfs/dbraw/zinc/56/35/53/618563553.db2.gz FQTUCJOKXUUDLV-VIFPVBQESA-N -1 1 293.327 1.232 20 0 CDADMM C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCC[C@]2(C)C(=O)[O-])C1 ZINC000902107046 618565017 /nfs/dbraw/zinc/56/50/17/618565017.db2.gz MJDZNAUSRFARRO-XDMRBOTDSA-N -1 1 291.351 1.541 20 0 CDADMM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCC[C@]2(C)C(=O)[O-])C1 ZINC000902107043 618565329 /nfs/dbraw/zinc/56/53/29/618565329.db2.gz MJDZNAUSRFARRO-BPYAMOTFSA-N -1 1 291.351 1.541 20 0 CDADMM 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279.340 1.720 20 0 CDADMM C[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)CCCO1 ZINC000900528453 623205551 /nfs/dbraw/zinc/20/55/51/623205551.db2.gz SCZHGKBISFIBON-SECBINFHSA-N -1 1 277.324 1.311 20 0 CDADMM CN(Cc1cccn1C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901061126 623851045 /nfs/dbraw/zinc/85/10/45/623851045.db2.gz TWMOXWPJHDRUOO-UHFFFAOYSA-N -1 1 286.335 1.670 20 0 CDADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC[C@@H]1c1ncc[nH]1 ZINC000901302463 624095849 /nfs/dbraw/zinc/09/58/49/624095849.db2.gz XRPRGJPFHQWNGV-LLVKDONJSA-N -1 1 299.334 1.760 20 0 CDADMM Cc1nc2c(cccc2C(=O)N2CC[C@H](C(=O)[O-])C2)[nH]1 ZINC000901438471 624250371 /nfs/dbraw/zinc/25/03/71/624250371.db2.gz IIPUSRBNTGPHBI-VIFPVBQESA-N -1 1 273.292 1.418 20 0 CDADMM CC(C)C[C@H](NC(=O)c1[nH]nc2c1C[C@H](C)CC2)C(=O)[O-] ZINC000901456233 624274190 /nfs/dbraw/zinc/27/41/90/624274190.db2.gz DFIUOOYKELXRAL-SKDRFNHKSA-N -1 1 293.367 1.764 20 0 CDADMM O=C([O-])[C@H]1CN(C[C@@H]2CCN(c3ccccc3)C2)CCO1 ZINC000901489635 624291377 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Cc1nocc1S(=O)(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000866566854 684149691 /nfs/dbraw/zinc/14/96/91/684149691.db2.gz KIKYYTMZLRKHAR-JTQLQIEISA-N -1 1 287.385 1.136 20 0 CDADMM C[C@@H]1CO[C@@H](C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC000886271813 684195109 /nfs/dbraw/zinc/19/51/09/684195109.db2.gz WZMGXKFRLVLCND-ISVAXAHUSA-N -1 1 285.290 1.754 20 0 CDADMM CCOC(CCNC(=O)C(=O)c1ccc([O-])cc1)OCC ZINC000807362864 684199267 /nfs/dbraw/zinc/19/92/67/684199267.db2.gz REHKJEFPCIIDES-UHFFFAOYSA-N -1 1 295.335 1.480 20 0 CDADMM CCOC(=O)c1cnc(NC(=O)C[C@@H]2CCCOC2)[n-]1 ZINC000841221495 684247331 /nfs/dbraw/zinc/24/73/31/684247331.db2.gz GEQARGNLIMYHHN-VIFPVBQESA-N -1 1 281.312 1.342 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)C[C@@H]2CCCOC2)n1 ZINC000841221495 684247335 /nfs/dbraw/zinc/24/73/35/684247335.db2.gz GEQARGNLIMYHHN-VIFPVBQESA-N -1 1 281.312 1.342 20 0 CDADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000890271903 684251407 /nfs/dbraw/zinc/25/14/07/684251407.db2.gz IMKXIVWVFKCDFE-AOOOYVTPSA-N -1 1 288.376 1.890 20 0 CDADMM COC(=O)c1scc(C)c1[N-]S(=O)(=O)C(C)C ZINC000128701098 1158817085 /nfs/dbraw/zinc/81/70/85/1158817085.db2.gz TXQVDVIBVQTRJA-UHFFFAOYSA-N -1 1 277.367 1.993 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2ccc3nc[nH]c3n2)[n-]1 ZINC001170224351 1162314953 /nfs/dbraw/zinc/31/49/53/1162314953.db2.gz XSPARCQCPMTBOJ-UHFFFAOYSA-N -1 1 268.240 1.073 20 0 CDADMM CC(C)n1ncnc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC001352146469 1159428079 /nfs/dbraw/zinc/42/80/79/1159428079.db2.gz FOOWOOVHRNPWHR-LURJTMIESA-N -1 1 291.233 1.236 20 0 CDADMM CCC[C@@H](OC)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001604145971 1163104285 /nfs/dbraw/zinc/10/42/85/1163104285.db2.gz CMJSDYHENFHASG-SSDOTTSWSA-N -1 1 296.356 1.385 20 0 CDADMM CCC[C@@H](OC)C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001604145971 1163104288 /nfs/dbraw/zinc/10/42/88/1163104288.db2.gz CMJSDYHENFHASG-SSDOTTSWSA-N -1 1 296.356 1.385 20 0 CDADMM C[C@H]1COC[C@@H]1Oc1[n-]c(=O)ncc1Br ZINC001227133823 1160295126 /nfs/dbraw/zinc/29/51/26/1160295126.db2.gz OPQLBSHYQAOLKD-FSPLSTOPSA-N -1 1 275.102 1.358 20 0 CDADMM CCCCC(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001604160395 1163111923 /nfs/dbraw/zinc/11/19/23/1163111923.db2.gz DJZMPDSYLFFBGV-UHFFFAOYSA-N -1 1 267.314 1.557 20 0 CDADMM CCCCC(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001604160395 1163111928 /nfs/dbraw/zinc/11/19/28/1163111928.db2.gz DJZMPDSYLFFBGV-UHFFFAOYSA-N -1 1 267.314 1.557 20 0 CDADMM C[C@@H](CNC(=O)[C@H](N)Cc1cc2ccccc2o1)C(=O)[O-] ZINC001604171693 1163115657 /nfs/dbraw/zinc/11/56/57/1163115657.db2.gz FMGHLEQVOURPKS-JOYOIKCWSA-N -1 1 290.319 1.140 20 0 CDADMM CC[C@H](CNC(=O)C1CCC1)NC(=O)c1ncccc1[O-] ZINC001409218873 1160545877 /nfs/dbraw/zinc/54/58/77/1160545877.db2.gz JRDRVYFKCJVPTL-LLVKDONJSA-N -1 1 291.351 1.212 20 0 CDADMM O=C([O-])c1cc(Cl)ccc1CN1CC[C@@H](CO)[C@@H](O)C1 ZINC001142647052 1160757320 /nfs/dbraw/zinc/75/73/20/1160757320.db2.gz MMSXQQIYNPHPJM-GWCFXTLKSA-N -1 1 299.754 1.213 20 0 CDADMM COc1cccc([C@@H](C)OCC[P@](=O)([O-])O)c1 ZINC001224606802 1160781902 /nfs/dbraw/zinc/78/19/02/1160781902.db2.gz SEWQQAKFISBZIN-SECBINFHSA-N -1 1 260.226 1.951 20 0 CDADMM C[C@@H](NCc1c[nH]c(C(=O)[O-])c1)[C@H](O)C(F)(F)F ZINC001604343026 1163158914 /nfs/dbraw/zinc/15/89/14/1163158914.db2.gz VZEKTZBGLNHUQF-XRGYYRRGSA-N -1 1 266.219 1.114 20 0 CDADMM Cn1nccc1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001626072734 1161473854 /nfs/dbraw/zinc/47/38/54/1161473854.db2.gz OGBLYNFUVPFNOD-UHFFFAOYSA-N -1 1 265.700 1.960 20 0 CDADMM CCOC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001604421768 1163183956 /nfs/dbraw/zinc/18/39/56/1163183956.db2.gz LRSATXAYGUSYMU-JTQLQIEISA-N -1 1 277.332 1.130 20 0 CDADMM CCOC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001604421768 1163183958 /nfs/dbraw/zinc/18/39/58/1163183958.db2.gz LRSATXAYGUSYMU-JTQLQIEISA-N -1 1 277.332 1.130 20 0 CDADMM CCON(C(=O)c1csc(-c2nn[n-]n2)c1)C(C)C ZINC001604437201 1163187863 /nfs/dbraw/zinc/18/78/63/1163187863.db2.gz DONGIQWDSVTFCH-UHFFFAOYSA-N -1 1 281.341 1.730 20 0 CDADMM CCn1cc([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001604605578 1163243519 /nfs/dbraw/zinc/24/35/19/1163243519.db2.gz ZNHOCFDRCDGINR-MRVPVSSYSA-N -1 1 285.315 1.046 20 0 CDADMM CCn1cc([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001604605578 1163243522 /nfs/dbraw/zinc/24/35/22/1163243522.db2.gz ZNHOCFDRCDGINR-MRVPVSSYSA-N -1 1 285.315 1.046 20 0 CDADMM CCn1cc([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001604605579 1163243897 /nfs/dbraw/zinc/24/38/97/1163243897.db2.gz ZNHOCFDRCDGINR-QMMMGPOBSA-N -1 1 285.315 1.046 20 0 CDADMM CCn1cc([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001604605579 1163243902 /nfs/dbraw/zinc/24/39/02/1163243902.db2.gz ZNHOCFDRCDGINR-QMMMGPOBSA-N -1 1 285.315 1.046 20 0 CDADMM CCn1cc([C@H](C)Nc2cccc(-c3nnn[n-]3)n2)cn1 ZINC001604605238 1163244251 /nfs/dbraw/zinc/24/42/51/1163244251.db2.gz TYQSDVAGGZOGSV-VIFPVBQESA-N -1 1 284.327 1.651 20 0 CDADMM CCn1cc([C@H](C)Nc2cccc(-c3nn[n-]n3)n2)cn1 ZINC001604605238 1163244256 /nfs/dbraw/zinc/24/42/56/1163244256.db2.gz TYQSDVAGGZOGSV-VIFPVBQESA-N -1 1 284.327 1.651 20 0 CDADMM CCn1ccnc1[C@H](C)Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001604613098 1163247984 /nfs/dbraw/zinc/24/79/84/1163247984.db2.gz STPUIDWRIZKTNP-QMMMGPOBSA-N -1 1 299.342 1.355 20 0 CDADMM CCn1ccnc1[C@H](C)Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001604613098 1163247991 /nfs/dbraw/zinc/24/79/91/1163247991.db2.gz STPUIDWRIZKTNP-QMMMGPOBSA-N -1 1 299.342 1.355 20 0 CDADMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1cnc(C2OCCO2)s1 ZINC001604635825 1163259472 /nfs/dbraw/zinc/25/94/72/1163259472.db2.gz IRTNWCLNJCVEEX-PSASIEDQSA-N -1 1 298.364 1.484 20 0 CDADMM COC(=O)c1ccc(NCCC(C)C)c(-c2nnn[n-]2)n1 ZINC001604975739 1163403391 /nfs/dbraw/zinc/40/33/91/1163403391.db2.gz XDWFZZLDRFANKD-UHFFFAOYSA-N -1 1 290.327 1.506 20 0 CDADMM COC(=O)c1ccc(NCCC(C)C)c(-c2nn[n-]n2)n1 ZINC001604975739 1163403393 /nfs/dbraw/zinc/40/33/93/1163403393.db2.gz XDWFZZLDRFANKD-UHFFFAOYSA-N -1 1 290.327 1.506 20 0 CDADMM CO[C@](C)(C(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001604994504 1163406746 /nfs/dbraw/zinc/40/67/46/1163406746.db2.gz ACZRZGORDUIHKB-ZDUSSCGKSA-N -1 1 288.311 1.015 20 0 CDADMM CO[C@](C)(C(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001604994504 1163406753 /nfs/dbraw/zinc/40/67/53/1163406753.db2.gz ACZRZGORDUIHKB-ZDUSSCGKSA-N -1 1 288.311 1.015 20 0 CDADMM CO[C@]1(C)C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1(C)C ZINC001605015454 1163418294 /nfs/dbraw/zinc/41/82/94/1163418294.db2.gz MHDQNYZVXNRGBX-TVQRCGJNSA-N -1 1 289.343 1.272 20 0 CDADMM CO[C@]1(C)C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1(C)C ZINC001605015454 1163418300 /nfs/dbraw/zinc/41/83/00/1163418300.db2.gz MHDQNYZVXNRGBX-TVQRCGJNSA-N -1 1 289.343 1.272 20 0 CDADMM COC1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001605031064 1163425400 /nfs/dbraw/zinc/42/54/00/1163425400.db2.gz XQCYMYWNLQAKID-UHFFFAOYSA-N -1 1 289.343 1.051 20 0 CDADMM CO[C@H]1CN(c2ccnc(-c3nnn[n-]3)c2)CC[C@@H]1C ZINC001605037719 1163426794 /nfs/dbraw/zinc/42/67/94/1163426794.db2.gz UNQWLEIYHPHLRO-CABZTGNLSA-N -1 1 274.328 1.123 20 0 CDADMM CO[C@H]1CN(c2ccnc(-c3nn[n-]n3)c2)CC[C@@H]1C ZINC001605037719 1163426798 /nfs/dbraw/zinc/42/67/98/1163426798.db2.gz UNQWLEIYHPHLRO-CABZTGNLSA-N -1 1 274.328 1.123 20 0 CDADMM CC[C@@H]1CN(C)CCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001605174428 1163477332 /nfs/dbraw/zinc/47/73/32/1163477332.db2.gz WCMOQITYYGSEBV-CYBMUJFWSA-N -1 1 291.351 1.943 20 0 CDADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ncccc1F ZINC001605405439 1163552104 /nfs/dbraw/zinc/55/21/04/1163552104.db2.gz VXEPBCNIVZTXFP-MRVPVSSYSA-N -1 1 285.286 1.969 20 0 CDADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ncccc1F ZINC001605405439 1163552107 /nfs/dbraw/zinc/55/21/07/1163552107.db2.gz VXEPBCNIVZTXFP-MRVPVSSYSA-N -1 1 285.286 1.969 20 0 CDADMM C[C@H](OC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001605442345 1163564563 /nfs/dbraw/zinc/56/45/63/1163564563.db2.gz IZKWNVAHRYNOLN-QMMMGPOBSA-N -1 1 273.296 1.146 20 0 CDADMM C[C@H](OC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001605442345 1163564567 /nfs/dbraw/zinc/56/45/67/1163564567.db2.gz IZKWNVAHRYNOLN-QMMMGPOBSA-N -1 1 273.296 1.146 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H](C)c2ccccn2)n1 ZINC001605554245 1163607545 /nfs/dbraw/zinc/60/75/45/1163607545.db2.gz MOTOICMGPBPCHB-SNVBAGLBSA-N -1 1 296.338 1.558 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H](C)c2ccccn2)n1 ZINC001605554245 1163607547 /nfs/dbraw/zinc/60/75/47/1163607547.db2.gz MOTOICMGPBPCHB-SNVBAGLBSA-N -1 1 296.338 1.558 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CCC(C)(O)CC2)n1 ZINC001605573278 1163612580 /nfs/dbraw/zinc/61/25/80/1163612580.db2.gz XDRHDFAPCGYEBF-UHFFFAOYSA-N -1 1 289.343 1.071 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CCC(C)(O)CC2)n1 ZINC001605573278 1163612584 /nfs/dbraw/zinc/61/25/84/1163612584.db2.gz XDRHDFAPCGYEBF-UHFFFAOYSA-N -1 1 289.343 1.071 20 0 CDADMM CCO[C@@H]1COC[C@H]1NCc1cc(C(=O)[O-])ccc1F ZINC001605651841 1163634287 /nfs/dbraw/zinc/63/42/87/1163634287.db2.gz YQWCBIZRVGXCJA-CHWSQXEVSA-N -1 1 283.299 1.417 20 0 CDADMM Cc1cc(CNc2nc(Cl)c(-c3nnn[n-]3)s2)no1 ZINC001605661709 1163638422 /nfs/dbraw/zinc/63/84/22/1163638422.db2.gz IFRQCCGQSZDGIE-UHFFFAOYSA-N -1 1 297.731 1.885 20 0 CDADMM Cc1cc(CNc2nc(Cl)c(-c3nn[n-]n3)s2)no1 ZINC001605661709 1163638426 /nfs/dbraw/zinc/63/84/26/1163638426.db2.gz IFRQCCGQSZDGIE-UHFFFAOYSA-N -1 1 297.731 1.885 20 0 CDADMM Cc1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)c(C)cn1 ZINC001605718008 1163649989 /nfs/dbraw/zinc/64/99/89/1163649989.db2.gz XQNUQFSDDLHMNN-UHFFFAOYSA-N -1 1 284.279 1.146 20 0 CDADMM Cc1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)c(C)cn1 ZINC001605718008 1163649995 /nfs/dbraw/zinc/64/99/95/1163649995.db2.gz XQNUQFSDDLHMNN-UHFFFAOYSA-N -1 1 284.279 1.146 20 0 CDADMM Cc1cc(N[C@@H]2CCC(C)(C)C2)cc(-c2nnn[n-]2)n1 ZINC001605723420 1163651686 /nfs/dbraw/zinc/65/16/86/1163651686.db2.gz RXVCTVSMJGINAM-SNVBAGLBSA-N -1 1 272.356 1.983 20 0 CDADMM Cc1cc(N[C@@H]2CCC(C)(C)C2)cc(-c2nn[n-]n2)n1 ZINC001605723420 1163651689 /nfs/dbraw/zinc/65/16/89/1163651689.db2.gz RXVCTVSMJGINAM-SNVBAGLBSA-N -1 1 272.356 1.983 20 0 CDADMM CC[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1N)N(C)C ZINC001605746677 1163657353 /nfs/dbraw/zinc/65/73/53/1163657353.db2.gz DPHAGVOAFCKUHZ-JTQLQIEISA-N -1 1 265.313 1.246 20 0 CDADMM Cc1nsc(NCc2ccc(C)nc2)c1-c1nn[n-]n1 ZINC001605857967 1163692597 /nfs/dbraw/zinc/69/25/97/1163692597.db2.gz DYRQQYKJWCIMCR-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM CCc1ncc(CN(CCC(=O)[O-])C[C@@H]2CCCO2)cn1 ZINC001605861499 1163694574 /nfs/dbraw/zinc/69/45/74/1163694574.db2.gz ROUQRRFODSSRGL-ZDUSSCGKSA-N -1 1 293.367 1.495 20 0 CDADMM CCc1noc(C)c1CNCc1ccc(C(=O)[O-])[nH]1 ZINC001605874517 1163702758 /nfs/dbraw/zinc/70/27/58/1163702758.db2.gz XTUGGLFYJDCCGR-UHFFFAOYSA-N -1 1 263.297 1.862 20 0 CDADMM Cc1ccc(NC[C@@]2(C)CCCCO2)c(-c2nnn[n-]2)n1 ZINC001605873639 1163703346 /nfs/dbraw/zinc/70/33/46/1163703346.db2.gz FHIHXMCSKVVHGE-CQSZACIVSA-N -1 1 288.355 1.941 20 0 CDADMM Cc1ccc(NC[C@@]2(C)CCCCO2)c(-c2nn[n-]n2)n1 ZINC001605873639 1163703353 /nfs/dbraw/zinc/70/33/53/1163703353.db2.gz FHIHXMCSKVVHGE-CQSZACIVSA-N -1 1 288.355 1.941 20 0 CDADMM Cc1[nH]nc(NCc2cncn2C(C)C)c1-c1nn[n-]n1 ZINC001606013823 1163743148 /nfs/dbraw/zinc/74/31/48/1163743148.db2.gz KOOBDDDWXOLZCQ-UHFFFAOYSA-N -1 1 287.331 1.288 20 0 CDADMM Cc1[nH]nc(NC(=O)c2ccoc2Cl)c1-c1nn[n-]n1 ZINC001606014972 1163744968 /nfs/dbraw/zinc/74/49/68/1163744968.db2.gz VGFHHILZGIHTJV-UHFFFAOYSA-N -1 1 293.674 1.397 20 0 CDADMM Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccn1 ZINC001606129171 1163781190 /nfs/dbraw/zinc/78/11/90/1163781190.db2.gz FWGKBPPJFSERMH-MRVPVSSYSA-N -1 1 299.338 1.717 20 0 CDADMM Cc1noc(C)c1CCn1ccn2ncc(-c3nn[n-]n3)c12 ZINC001606130122 1163783528 /nfs/dbraw/zinc/78/35/28/1163783528.db2.gz IGYRAALOVJFARD-UHFFFAOYSA-N -1 1 298.310 1.163 20 0 CDADMM Cc1nocc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001606137860 1163785059 /nfs/dbraw/zinc/78/50/59/1163785059.db2.gz TWRSWMJULVRHQD-UHFFFAOYSA-N -1 1 276.281 1.477 20 0 CDADMM CN(Cc1cc(C(C)(C)C)[nH]n1)c1cc(C(=O)[O-])ncn1 ZINC001606147984 1163786486 /nfs/dbraw/zinc/78/64/86/1163786486.db2.gz YFIFEJKUEMJKHB-UHFFFAOYSA-N -1 1 289.339 1.832 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@H](C)C1CC1 ZINC001606170890 1163795763 /nfs/dbraw/zinc/79/57/63/1163795763.db2.gz RNZGQIYTKAXFNB-ZCFIWIBFSA-N -1 1 262.269 1.723 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@H](C)C1CC1 ZINC001606170890 1163795769 /nfs/dbraw/zinc/79/57/69/1163795769.db2.gz RNZGQIYTKAXFNB-ZCFIWIBFSA-N -1 1 262.269 1.723 20 0 CDADMM CN1CC[C@H](C(=O)NOCCCC(=O)[O-])c2ccccc21 ZINC001606212975 1163813339 /nfs/dbraw/zinc/81/33/39/1163813339.db2.gz UQSUQVVUWSJRRP-LBPRGKRZSA-N -1 1 292.335 1.523 20 0 CDADMM O=C([O-])CN1CC[C@@H](N[C@@H]2CCc3c2cccc3F)C1=O ZINC001606243481 1163827909 /nfs/dbraw/zinc/82/79/09/1163827909.db2.gz BXNWNLRUYDUPAA-CHWSQXEVSA-N -1 1 292.310 1.088 20 0 CDADMM Fc1ccc(CNc2cncc(-c3nnn[n-]3)n2)c(F)c1 ZINC001606318770 1163858141 /nfs/dbraw/zinc/85/81/41/1163858141.db2.gz BVDMIPJVEIBIME-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM Fc1ccc(CNc2cncc(-c3nn[n-]n3)n2)c(F)c1 ZINC001606318770 1163858150 /nfs/dbraw/zinc/85/81/50/1163858150.db2.gz BVDMIPJVEIBIME-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1CCCSC ZINC001606375304 1163880374 /nfs/dbraw/zinc/88/03/74/1163880374.db2.gz RSHKPSVVAIRJPK-UWVGGRQHSA-N -1 1 275.370 1.078 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCC1CCCC1 ZINC001606595129 1163934652 /nfs/dbraw/zinc/93/46/52/1163934652.db2.gz QRWWKBTUUNPXDH-UHFFFAOYSA-N -1 1 286.339 1.111 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCC1CCCC1 ZINC001606595129 1163934660 /nfs/dbraw/zinc/93/46/60/1163934660.db2.gz QRWWKBTUUNPXDH-UHFFFAOYSA-N -1 1 286.339 1.111 20 0 CDADMM COC(=O)c1cncc(CN2CC[C@@H](C(=O)[O-])C[C@H]2C)c1 ZINC001606628125 1163940192 /nfs/dbraw/zinc/94/01/92/1163940192.db2.gz KHPJHTCAVMQOLL-ZYHUDNBSSA-N -1 1 292.335 1.553 20 0 CDADMM COC(=O)c1nc[nH]c1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001606635369 1163942767 /nfs/dbraw/zinc/94/27/67/1163942767.db2.gz BKBNYEPPAYKDEI-SFYZADRCSA-N -1 1 295.295 1.026 20 0 CDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001606841987 1164012556 /nfs/dbraw/zinc/01/25/56/1164012556.db2.gz AMBRHXLMYLTIDW-UHFFFAOYSA-N -1 1 286.339 1.458 20 0 CDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001606841987 1164012565 /nfs/dbraw/zinc/01/25/65/1164012565.db2.gz AMBRHXLMYLTIDW-UHFFFAOYSA-N -1 1 286.339 1.458 20 0 CDADMM COCc1cnc(CN[C@H]2CC=C(C(=O)[O-])C2)s1 ZINC001606971358 1164043935 /nfs/dbraw/zinc/04/39/35/1164043935.db2.gz IBQYATXWQFRGLG-VIFPVBQESA-N -1 1 268.338 1.553 20 0 CDADMM O=C(OCc1ccc(F)cn1)c1ccc(-c2nn[n-]n2)o1 ZINC001606979636 1164047478 /nfs/dbraw/zinc/04/74/78/1164047478.db2.gz QPHNEVSECDMIHU-UHFFFAOYSA-N -1 1 289.226 1.351 20 0 CDADMM CC(C)n1nnc([N-]C(=O)c2cc(-c3cccnc3)on2)n1 ZINC001134127742 1164055180 /nfs/dbraw/zinc/05/51/80/1164055180.db2.gz AVFWOZOZHMYHKX-UHFFFAOYSA-N -1 1 299.294 1.556 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1CCSC(F)(F)F ZINC001607089970 1164074542 /nfs/dbraw/zinc/07/45/42/1164074542.db2.gz FOVWTDKLMHXCAJ-UHFFFAOYSA-N -1 1 291.258 1.281 20 0 CDADMM c1cc(N2CCC23CCOCC3)cc(-c2nnn[n-]2)n1 ZINC001607119466 1164102017 /nfs/dbraw/zinc/10/20/17/1164102017.db2.gz BNEXWFXKLZCFRS-UHFFFAOYSA-N -1 1 272.312 1.021 20 0 CDADMM c1cc(N2CCC23CCOCC3)cc(-c2nn[n-]n2)n1 ZINC001607119466 1164102021 /nfs/dbraw/zinc/10/20/21/1164102021.db2.gz BNEXWFXKLZCFRS-UHFFFAOYSA-N -1 1 272.312 1.021 20 0 CDADMM c1cc2n(c1)CCN(Cc1ccc(-c3nnn[n-]3)o1)C2 ZINC001607123084 1164105082 /nfs/dbraw/zinc/10/50/82/1164105082.db2.gz GDJDQAKETVOKMZ-UHFFFAOYSA-N -1 1 270.296 1.277 20 0 CDADMM c1cc2n(c1)CCN(Cc1ccc(-c3nn[n-]n3)o1)C2 ZINC001607123084 1164105085 /nfs/dbraw/zinc/10/50/85/1164105085.db2.gz GDJDQAKETVOKMZ-UHFFFAOYSA-N -1 1 270.296 1.277 20 0 CDADMM c1cn(C2CC(Oc3ccccc3)C2)c(-c2nnn[n-]2)n1 ZINC001607131029 1164110823 /nfs/dbraw/zinc/11/08/23/1164110823.db2.gz TZWYMWQARINIPH-UHFFFAOYSA-N -1 1 282.307 1.846 20 0 CDADMM c1cn(C2CC(Oc3ccccc3)C2)c(-c2nn[n-]n2)n1 ZINC001607131029 1164110837 /nfs/dbraw/zinc/11/08/37/1164110837.db2.gz TZWYMWQARINIPH-UHFFFAOYSA-N -1 1 282.307 1.846 20 0 CDADMM COc1cc(F)c(CN[C@H]2CCO[C@H]2C(=O)[O-])cc1OC ZINC001607169511 1164126021 /nfs/dbraw/zinc/12/60/21/1164126021.db2.gz IURIWNYRDOWDHY-GXFFZTMASA-N -1 1 299.298 1.175 20 0 CDADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1CC(=O)c1cccn1C ZINC001607445302 1164182906 /nfs/dbraw/zinc/18/29/06/1164182906.db2.gz HHOJPJNQPGSRGT-GHMZBOCLSA-N -1 1 264.325 1.393 20 0 CDADMM Cc1c(C(=O)[O-])cc(CN[C@H](CO)c2ccsc2)n1C ZINC001607518612 1164215621 /nfs/dbraw/zinc/21/56/21/1164215621.db2.gz WXUGYZZFEISANL-CYBMUJFWSA-N -1 1 294.376 1.916 20 0 CDADMM Cc1ccc(CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c(Cl)n1 ZINC001607780996 1164294274 /nfs/dbraw/zinc/29/42/74/1164294274.db2.gz JEVDPCUOMZOQEU-URLYPYJESA-N -1 1 266.728 1.806 20 0 CDADMM Cc1n[nH]nc1C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001607940765 1164346941 /nfs/dbraw/zinc/34/69/41/1164346941.db2.gz JLTSBOBUPBMBBZ-JTQLQIEISA-N -1 1 280.328 1.267 20 0 CDADMM Cc1noc([C@H](NC[C@@H]2[C@H](C(=O)[O-])C2(F)F)C(C)C)n1 ZINC001608024134 1164381883 /nfs/dbraw/zinc/38/18/83/1164381883.db2.gz KBCGYHSRWJJGSR-IWSPIJDZSA-N -1 1 289.282 1.631 20 0 CDADMM Cc1noc([C@H](NC[C@@H]2[C@@H](C(=O)[O-])C2(F)F)C(C)C)n1 ZINC001608024133 1164382354 /nfs/dbraw/zinc/38/23/54/1164382354.db2.gz KBCGYHSRWJJGSR-HRDYMLBCSA-N -1 1 289.282 1.631 20 0 CDADMM NC(=O)[C@H]1c2ccccc2CCN1CC1(CC(=O)[O-])CC1 ZINC001608230001 1164461451 /nfs/dbraw/zinc/46/14/51/1164461451.db2.gz TUSBVJAVUNRBCG-CQSZACIVSA-N -1 1 288.347 1.326 20 0 CDADMM CC[C@H](C)C[C@H](NC(=O)[C@@H]1CCCN1C1CC1)C(=O)[O-] ZINC000864151416 1164512182 /nfs/dbraw/zinc/51/21/82/1164512182.db2.gz QGCCGPHIXWZTSS-DRZSPHRISA-N -1 1 282.384 1.619 20 0 CDADMM O=C([O-])C1CN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC001608643636 1164588467 /nfs/dbraw/zinc/58/84/67/1164588467.db2.gz LZKWAVLRBHTOQF-UHFFFAOYSA-N -1 1 277.324 1.614 20 0 CDADMM O=C([O-])C[C@H]1CCC[N@@H+](Cc2cncc(C(=O)[O-])c2)C1 ZINC001608694746 1164608498 /nfs/dbraw/zinc/60/84/98/1164608498.db2.gz WWVIIIHONOZKNW-SNVBAGLBSA-N -1 1 278.308 1.467 20 0 CDADMM CC(C)NC(=O)Nc1nc(N(C)C)[n-]c(=O)c1N=O ZINC001202516605 1164627864 /nfs/dbraw/zinc/62/78/64/1164627864.db2.gz BEZDWGOASKXJRB-UHFFFAOYSA-N -1 1 268.277 1.176 20 0 CDADMM O=C([O-])c1nn(CN2CCC3(COC3)C2)c2ccccc21 ZINC001609004808 1164718345 /nfs/dbraw/zinc/71/83/45/1164718345.db2.gz ZNLGEEJFKBHEQZ-UHFFFAOYSA-N -1 1 287.319 1.414 20 0 CDADMM CC(C)(C(=O)OCc1cccnc1-c1nnn[n-]1)C1CC1 ZINC001609073267 1164757379 /nfs/dbraw/zinc/75/73/79/1164757379.db2.gz GYCLPILXDPLOQV-UHFFFAOYSA-N -1 1 287.323 1.741 20 0 CDADMM CC(C)(C(=O)OCc1cccnc1-c1nn[n-]n1)C1CC1 ZINC001609073267 1164757387 /nfs/dbraw/zinc/75/73/87/1164757387.db2.gz GYCLPILXDPLOQV-UHFFFAOYSA-N -1 1 287.323 1.741 20 0 CDADMM C[C@@H](CCO)SCc1nc(-c2nnn[n-]2)cs1 ZINC001609111464 1164775196 /nfs/dbraw/zinc/77/51/96/1164775196.db2.gz UDJFHTZWWUKTCL-LURJTMIESA-N -1 1 271.371 1.327 20 0 CDADMM C[C@@H](CCO)SCc1nc(-c2nn[n-]n2)cs1 ZINC001609111464 1164775204 /nfs/dbraw/zinc/77/52/04/1164775204.db2.gz UDJFHTZWWUKTCL-LURJTMIESA-N -1 1 271.371 1.327 20 0 CDADMM CC1(C)CC[C@H](C(=O)Nc2cccc(-c3nnn[n-]3)n2)O1 ZINC001609144675 1164792737 /nfs/dbraw/zinc/79/27/37/1164792737.db2.gz IGTVSKKCFBVMNX-SECBINFHSA-N -1 1 288.311 1.158 20 0 CDADMM CC1(C)CC[C@H](C(=O)Nc2cccc(-c3nn[n-]n3)n2)O1 ZINC001609144675 1164792741 /nfs/dbraw/zinc/79/27/41/1164792741.db2.gz IGTVSKKCFBVMNX-SECBINFHSA-N -1 1 288.311 1.158 20 0 CDADMM C[C@H]1CC(Nc2ncncc2-c2nn[n-]n2)C[C@H](C)C1 ZINC001609154804 1164802589 /nfs/dbraw/zinc/80/25/89/1164802589.db2.gz RVFJPRAVUPJGKC-RKDXNWHRSA-N -1 1 273.344 1.893 20 0 CDADMM CCN(CCOC)C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609224484 1164854630 /nfs/dbraw/zinc/85/46/30/1164854630.db2.gz DGEKNEGJOQRMDN-UHFFFAOYSA-N -1 1 293.302 1.114 20 0 CDADMM CCN(CCOC)C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609224484 1164854635 /nfs/dbraw/zinc/85/46/35/1164854635.db2.gz DGEKNEGJOQRMDN-UHFFFAOYSA-N -1 1 293.302 1.114 20 0 CDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCC(C)(C)C1 ZINC001609281718 1164880435 /nfs/dbraw/zinc/88/04/35/1164880435.db2.gz ZGXAPSNCFQKONL-VIFPVBQESA-N -1 1 273.344 1.672 20 0 CDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCC(C)(C)C1 ZINC001609281718 1164880440 /nfs/dbraw/zinc/88/04/40/1164880440.db2.gz ZGXAPSNCFQKONL-VIFPVBQESA-N -1 1 273.344 1.672 20 0 CDADMM Cc1ccc(-c2nnn[n-]2)nc1N(C)Cc1cscn1 ZINC001609417220 1164939174 /nfs/dbraw/zinc/93/91/74/1164939174.db2.gz ZDBCPHKVBINVBR-UHFFFAOYSA-N -1 1 287.352 1.663 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N(C)Cc1cscn1 ZINC001609417220 1164939181 /nfs/dbraw/zinc/93/91/81/1164939181.db2.gz ZDBCPHKVBINVBR-UHFFFAOYSA-N -1 1 287.352 1.663 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC001609583818 1164996506 /nfs/dbraw/zinc/99/65/06/1164996506.db2.gz MNTMOJLLEDGFHJ-TXEJJXNPSA-N -1 1 298.350 1.524 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC001609583818 1164996511 /nfs/dbraw/zinc/99/65/11/1164996511.db2.gz MNTMOJLLEDGFHJ-TXEJJXNPSA-N -1 1 298.350 1.524 20 0 CDADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCCC2(CC2)C1 ZINC001609584941 1164999885 /nfs/dbraw/zinc/99/98/85/1164999885.db2.gz PEHYREQGEIPLQD-UHFFFAOYSA-N -1 1 289.364 1.944 20 0 CDADMM c1ncc(-c2noc(-c3ccnc(-c4nnn[n-]4)c3)n2)s1 ZINC001609612729 1165007698 /nfs/dbraw/zinc/00/76/98/1165007698.db2.gz LUMUHUZSMXJZRL-UHFFFAOYSA-N -1 1 298.291 1.435 20 0 CDADMM c1ncc(-c2noc(-c3ccnc(-c4nn[n-]n4)c3)n2)s1 ZINC001609612729 1165007702 /nfs/dbraw/zinc/00/77/02/1165007702.db2.gz LUMUHUZSMXJZRL-UHFFFAOYSA-N -1 1 298.291 1.435 20 0 CDADMM C[C@@H](NCc1c[nH]cn1)c1ccc(OCC(=O)[O-])cc1 ZINC001609778515 1165077343 /nfs/dbraw/zinc/07/73/43/1165077343.db2.gz HKWWQJSRCTUAMF-SNVBAGLBSA-N -1 1 275.308 1.724 20 0 CDADMM COC(=O)c1ccc2c(c1)CN(C/C=C(\C)C(=O)[O-])CC2 ZINC001610214680 1165255295 /nfs/dbraw/zinc/25/52/95/1165255295.db2.gz HYQZGPKSDSHSTM-VZUCSPMQSA-N -1 1 289.331 1.862 20 0 CDADMM Cc1[nH]c(C(=O)CN[C@@](C)(CO)C(C)C)c(C)c1C(=O)[O-] ZINC001610401192 1165308965 /nfs/dbraw/zinc/30/89/65/1165308965.db2.gz GEVUBGXUMKBXTB-HNNXBMFYSA-N -1 1 296.367 1.509 20 0 CDADMM Cc1ccccc1[C@@H](C(=O)[O-])N(C)Cc1nnc[nH]1 ZINC001610529874 1165341486 /nfs/dbraw/zinc/34/14/86/1165341486.db2.gz ULHSGKCKCHWUMV-LBPRGKRZSA-N -1 1 260.297 1.371 20 0 CDADMM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccsc1C(=O)[O-] ZINC001610635791 1165389144 /nfs/dbraw/zinc/38/91/44/1165389144.db2.gz XFSJXIYPQQNXAP-IEBDPFPHSA-N -1 1 294.376 1.532 20 0 CDADMM O=C([O-])c1cnc(Nc2cnn(-c3ccncc3)c2)nc1 ZINC001610863156 1165465682 /nfs/dbraw/zinc/46/56/82/1165465682.db2.gz RKTOEWNUFYJOTO-UHFFFAOYSA-N -1 1 282.263 1.499 20 0 CDADMM Cn1ccc(CCNC(=O)c2ncc3ccccc3c2[O-])n1 ZINC001611083675 1165481204 /nfs/dbraw/zinc/48/12/04/1165481204.db2.gz WKWFQAWAZIPFHH-UHFFFAOYSA-N -1 1 296.330 1.646 20 0 CDADMM CC(C)NC(=S)N[N-]C(=O)c1cccnc1Cl ZINC000015876658 1165617013 /nfs/dbraw/zinc/61/70/13/1165617013.db2.gz HOJNJAOBSOXQSJ-UHFFFAOYSA-N -1 1 272.761 1.252 20 0 CDADMM Nc1noc2cc(CNC(=O)c3ccc([O-])cn3)ccc12 ZINC001630442427 1166208018 /nfs/dbraw/zinc/20/80/18/1166208018.db2.gz UZTYSCMUWOZQHD-UHFFFAOYSA-N -1 1 284.275 1.441 20 0 CDADMM C[C@H](NC(=O)c1ccc(F)c([O-])c1)c1nccn1C ZINC001630743753 1166227715 /nfs/dbraw/zinc/22/77/15/1166227715.db2.gz ZFFOFGKNFOLTMF-QMMMGPOBSA-N -1 1 263.272 1.756 20 0 CDADMM Cc1cccc(Cl)c1C(=O)NCc1nn[n-]n1 ZINC001632592463 1166359270 /nfs/dbraw/zinc/35/92/70/1166359270.db2.gz COLLFWOCUDBUSX-UHFFFAOYSA-N -1 1 251.677 1.092 20 0 CDADMM OCc1cccc(-c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000095221795 1166610824 /nfs/dbraw/zinc/61/08/24/1166610824.db2.gz SYLPDIXCURXTIP-UHFFFAOYSA-N -1 1 253.265 1.421 20 0 CDADMM OCc1cccc(-c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000095221795 1166610830 /nfs/dbraw/zinc/61/08/30/1166610830.db2.gz SYLPDIXCURXTIP-UHFFFAOYSA-N -1 1 253.265 1.421 20 0 CDADMM CC(=O)c1ccccc1[N-]S(=O)(=O)C1CCOCC1 ZINC000050199854 1166634322 /nfs/dbraw/zinc/63/43/22/1166634322.db2.gz CPIMJMLHGDGDNK-UHFFFAOYSA-N -1 1 283.349 1.810 20 0 CDADMM C[C@@H](CN(C)C(=O)c1ccc2cnccc2c1)c1nn[n-]n1 ZINC001638042314 1166814056 /nfs/dbraw/zinc/81/40/56/1166814056.db2.gz PYWXJQYRSUYLPE-JTQLQIEISA-N -1 1 296.334 1.624 20 0 CDADMM CN(C(=O)CCc1ccc2ccccc2n1)c1nn[n-]n1 ZINC001641461738 1167110094 /nfs/dbraw/zinc/11/00/94/1167110094.db2.gz CAINEBBJHYACOL-UHFFFAOYSA-N -1 1 282.307 1.344 20 0 CDADMM CCCC[C@H](NC(=O)c1[n-][nH]c2cc(=O)ccc1-2)C(N)=O ZINC001155275957 1167114443 /nfs/dbraw/zinc/11/44/43/1167114443.db2.gz GPQIAQYXDYTLIA-JTQLQIEISA-N -1 1 290.323 1.042 20 0 CDADMM O=C(Cn1ccc2ccccc21)Nc1c[n-][nH]c1=O ZINC001641598142 1167122798 /nfs/dbraw/zinc/12/27/98/1167122798.db2.gz LRLWRAIARXNRAU-UHFFFAOYSA-N -1 1 256.265 1.709 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(Cn2cccn2)o1 ZINC001641715933 1167132530 /nfs/dbraw/zinc/13/25/30/1167132530.db2.gz LRPXSBBKQOBFOJ-UHFFFAOYSA-N -1 1 287.279 1.514 20 0 CDADMM O=C(Cn1ccccc1=O)Nc1cc([O-])c(F)cc1F ZINC001363183838 1167525598 /nfs/dbraw/zinc/52/55/98/1167525598.db2.gz LNTULMLXUGAQJG-UHFFFAOYSA-N -1 1 280.230 1.471 20 0 CDADMM CCC[C@@H](OC)C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001645831501 1167526505 /nfs/dbraw/zinc/52/65/05/1167526505.db2.gz COCHUIFMICDLOW-CYBMUJFWSA-N -1 1 282.292 1.639 20 0 CDADMM O=C([O-])c1cncc(CN2CCS[C@H]3COCC[C@H]32)c1 ZINC001646496711 1167881710 /nfs/dbraw/zinc/88/17/10/1167881710.db2.gz ZSLWHLCUMXZTPF-OLZOCXBDSA-N -1 1 294.376 1.486 20 0 CDADMM O=C(OCc1nn[n-]n1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001646882573 1168222806 /nfs/dbraw/zinc/22/28/06/1168222806.db2.gz JKLMTPYNHCVUHK-RQJHMYQMSA-N -1 1 278.234 1.612 20 0 CDADMM O=C([O-])[C@@H]1CCN(CCS(=O)(=O)Cc2ccccc2)C1 ZINC001647252746 1168492475 /nfs/dbraw/zinc/49/24/75/1168492475.db2.gz HAUFNSCLLAAPFV-CYBMUJFWSA-N -1 1 297.376 1.008 20 0 CDADMM O=C([O-])[C@@]1(F)CC[N@@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC001647410678 1168658508 /nfs/dbraw/zinc/65/85/08/1168658508.db2.gz WCVWDVFRABVLEM-CQSZACIVSA-N -1 1 290.298 1.266 20 0 CDADMM O=C([O-])[C@@]1(F)CCN(Cc2ccc(-n3cncn3)cc2)C1 ZINC001647410678 1168658511 /nfs/dbraw/zinc/65/85/11/1168658511.db2.gz WCVWDVFRABVLEM-CQSZACIVSA-N -1 1 290.298 1.266 20 0 CDADMM C[C@H](c1ccncc1)N1CCC(C(=O)[O-])([S@@](C)=O)CC1 ZINC001573589633 1170700949 /nfs/dbraw/zinc/70/09/49/1170700949.db2.gz GPIRWWCOOJFBFQ-BIBXISHDSA-N -1 1 296.392 1.440 20 0 CDADMM Cn1cc(C[N@@H+](C)C[C@@H]2C[C@H]2C(=O)[O-])c(C(F)(F)F)n1 ZINC001573877212 1170816152 /nfs/dbraw/zinc/81/61/52/1170816152.db2.gz IXFSMXPESOLMRI-IONNQARKSA-N -1 1 291.273 1.591 20 0 CDADMM CC[C@H]1[C@H](C)CCN1c1nnc(-c2c[n-][nH]c2=O)n1C ZINC001650279165 1170915818 /nfs/dbraw/zinc/91/58/18/1170915818.db2.gz PJFALCXRMGZSCC-SCZZXKLOSA-N -1 1 276.344 1.536 20 0 CDADMM O=C([O-])C1(CNCc2n[nH]cc2Br)CC1 ZINC001574353266 1170957027 /nfs/dbraw/zinc/95/70/27/1170957027.db2.gz LILSOFRUOGOCEB-UHFFFAOYSA-N -1 1 274.118 1.127 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)[C@@H]1CCOc2ccccc21 ZINC001654603502 1171623423 /nfs/dbraw/zinc/62/34/23/1171623423.db2.gz QIAPAUWZAMCSAJ-SECBINFHSA-N -1 1 259.265 1.620 20 0 CDADMM Cc1cnc(C(=O)N[C@@H]2CNc3ccccc3C2)c([O-])c1 ZINC001579819984 1172272422 /nfs/dbraw/zinc/27/24/22/1172272422.db2.gz WZYZPDOELGYDEY-LBPRGKRZSA-N -1 1 283.331 1.862 20 0 CDADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)C(F)F ZINC001582653018 1172686233 /nfs/dbraw/zinc/68/62/33/1172686233.db2.gz DLCCWJPEHUIABA-UHFFFAOYSA-N -1 1 280.647 1.180 20 0 CDADMM O=C(Nc1cnn(CC(F)F)c1)c1ccc([O-])cn1 ZINC001586232293 1172936681 /nfs/dbraw/zinc/93/66/81/1172936681.db2.gz VAXFHQXWBFYEMX-UHFFFAOYSA-N -1 1 268.223 1.501 20 0 CDADMM C1=CC2(CCCCC2)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588386729 1173058998 /nfs/dbraw/zinc/05/89/98/1173058998.db2.gz BAVIWZVZZFUYMM-UHFFFAOYSA-N -1 1 283.339 1.736 20 0 CDADMM C1=CC2(CCCCC2)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588386729 1173059004 /nfs/dbraw/zinc/05/90/04/1173059004.db2.gz BAVIWZVZZFUYMM-UHFFFAOYSA-N -1 1 283.339 1.736 20 0 CDADMM c1coc(C2=CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001588389703 1173060102 /nfs/dbraw/zinc/06/01/02/1173060102.db2.gz YDUSDGCRXDZACM-UHFFFAOYSA-N -1 1 295.306 1.543 20 0 CDADMM c1coc(C2=CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001588389703 1173060105 /nfs/dbraw/zinc/06/01/05/1173060105.db2.gz YDUSDGCRXDZACM-UHFFFAOYSA-N -1 1 295.306 1.543 20 0 CDADMM CC(=O)C(C)(C)COC(=O)c1cc(-c2nnn[n-]2)oc1C 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CC(C)(CC[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(=O)[O-] ZINC001589275613 1173134354 /nfs/dbraw/zinc/13/43/54/1173134354.db2.gz BWEYERRHPKCCSW-UHFFFAOYSA-N -1 1 295.368 1.519 20 0 CDADMM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589489793 1173148990 /nfs/dbraw/zinc/14/89/90/1173148990.db2.gz CXBNUNJTTJPIGG-XPTSAGLGSA-N -1 1 286.339 1.882 20 0 CDADMM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589489793 1173148992 /nfs/dbraw/zinc/14/89/92/1173148992.db2.gz CXBNUNJTTJPIGG-XPTSAGLGSA-N -1 1 286.339 1.882 20 0 CDADMM CC(C)[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C(C)C ZINC001589516388 1173153861 /nfs/dbraw/zinc/15/38/61/1173153861.db2.gz AMKAAZMOLKSQMR-CMPLNLGQSA-N -1 1 287.371 1.774 20 0 CDADMM CC(C)CC[C@H](C)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589588408 1173160143 /nfs/dbraw/zinc/16/01/43/1173160143.db2.gz RCYVWSDFXNXYPH-JTQLQIEISA-N -1 1 260.345 1.920 20 0 CDADMM CC(C)CC[C@H](C)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589588408 1173160146 /nfs/dbraw/zinc/16/01/46/1173160146.db2.gz RCYVWSDFXNXYPH-JTQLQIEISA-N -1 1 260.345 1.920 20 0 CDADMM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001589658867 1173164822 /nfs/dbraw/zinc/16/48/22/1173164822.db2.gz SWSZHPRYTQZRPT-RKDXNWHRSA-N -1 1 289.343 1.221 20 0 CDADMM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001589658867 1173164829 /nfs/dbraw/zinc/16/48/29/1173164829.db2.gz SWSZHPRYTQZRPT-RKDXNWHRSA-N -1 1 289.343 1.221 20 0 CDADMM CC(C)n1cc(COc2cccnc2-c2nnn[n-]2)nn1 ZINC001589781815 1173177965 /nfs/dbraw/zinc/17/79/65/1173177965.db2.gz HQDDZCOKWYIYEN-UHFFFAOYSA-N -1 1 286.299 1.013 20 0 CDADMM CC(C)n1cc(COc2cccnc2-c2nn[n-]n2)nn1 ZINC001589781815 1173177971 /nfs/dbraw/zinc/17/79/71/1173177971.db2.gz HQDDZCOKWYIYEN-UHFFFAOYSA-N -1 1 286.299 1.013 20 0 CDADMM C[C@@H](CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001589793174 1173180945 /nfs/dbraw/zinc/18/09/45/1173180945.db2.gz OMMYMIOKJPIKPX-VIFPVBQESA-N -1 1 286.339 1.314 20 0 CDADMM C[C@@H](CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001589793174 1173180949 /nfs/dbraw/zinc/18/09/49/1173180949.db2.gz OMMYMIOKJPIKPX-VIFPVBQESA-N -1 1 286.339 1.314 20 0 CDADMM C[C@@H](CC(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001589795718 1173184498 /nfs/dbraw/zinc/18/44/98/1173184498.db2.gz YEFBKAIEQQILLJ-QMMMGPOBSA-N -1 1 272.312 1.636 20 0 CDADMM C[C@@H](CC(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001589795718 1173184508 /nfs/dbraw/zinc/18/45/08/1173184508.db2.gz YEFBKAIEQQILLJ-QMMMGPOBSA-N -1 1 272.312 1.636 20 0 CDADMM C[C@@H](CNc1cc(-c2nnn[n-]2)ncn1)CC(F)(F)F ZINC001589875291 1173193192 /nfs/dbraw/zinc/19/31/92/1173193192.db2.gz DCFSGZMFNMHLMM-ZCFIWIBFSA-N -1 1 287.249 1.657 20 0 CDADMM C[C@H](Cc1ccco1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001589902919 1173197611 /nfs/dbraw/zinc/19/76/11/1173197611.db2.gz NCAXCRBUQOHNJS-SSDOTTSWSA-N -1 1 287.283 1.000 20 0 CDADMM C[C@H](Cc1ccco1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001589902919 1173197613 /nfs/dbraw/zinc/19/76/13/1173197613.db2.gz NCAXCRBUQOHNJS-SSDOTTSWSA-N -1 1 287.283 1.000 20 0 CDADMM C[C@@H](Cn1cncc(-c2nn[n-]n2)c1=O)C1CCCCC1 ZINC001589903810 1173199965 /nfs/dbraw/zinc/19/99/65/1173199965.db2.gz JJLVUKLBTQYUOT-JTQLQIEISA-N -1 1 288.355 1.640 20 0 CDADMM CC1(C)CC[C@@H](OC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590089902 1173253951 /nfs/dbraw/zinc/25/39/51/1173253951.db2.gz AOVQXIZNILZEMG-SECBINFHSA-N -1 1 287.323 1.997 20 0 CDADMM CC1(C)CC[C@@H](OC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590089902 1173253956 /nfs/dbraw/zinc/25/39/56/1173253956.db2.gz AOVQXIZNILZEMG-SECBINFHSA-N -1 1 287.323 1.997 20 0 CDADMM CC1(C)CN(c2cccc(-c3nnn[n-]3)n2)[C@H]1C1CC1 ZINC001590107874 1173258442 /nfs/dbraw/zinc/25/84/42/1173258442.db2.gz JCZGJKBJNXOKQP-LBPRGKRZSA-N -1 1 270.340 1.887 20 0 CDADMM CC1(C)CN(c2cccc(-c3nn[n-]n3)n2)[C@H]1C1CC1 ZINC001590107874 1173258448 /nfs/dbraw/zinc/25/84/48/1173258448.db2.gz JCZGJKBJNXOKQP-LBPRGKRZSA-N -1 1 270.340 1.887 20 0 CDADMM C[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001590253194 1173320912 /nfs/dbraw/zinc/32/09/12/1173320912.db2.gz NJHDIFBXTXRXST-ZJUUUORDSA-N -1 1 273.344 1.459 20 0 CDADMM C[C@H]1CN(C(=O)c2ccsc2-c2nnn[n-]2)[C@@H](C)CO1 ZINC001590300656 1173345038 /nfs/dbraw/zinc/34/50/38/1173345038.db2.gz XMHQZILVCSONHL-YUMQZZPRSA-N -1 1 293.352 1.178 20 0 CDADMM C[C@H]1CN(C(=O)c2ccsc2-c2nn[n-]n2)[C@@H](C)CO1 ZINC001590300656 1173345044 /nfs/dbraw/zinc/34/50/44/1173345044.db2.gz XMHQZILVCSONHL-YUMQZZPRSA-N -1 1 293.352 1.178 20 0 CDADMM C[C@@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)[C@@H]1C ZINC001590314896 1173351388 /nfs/dbraw/zinc/35/13/88/1173351388.db2.gz WGXAUUPBRKOVDI-RKDXNWHRSA-N -1 1 281.323 1.655 20 0 CDADMM C[C@@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)[C@@H]1C ZINC001590314896 1173351397 /nfs/dbraw/zinc/35/13/97/1173351397.db2.gz WGXAUUPBRKOVDI-RKDXNWHRSA-N -1 1 281.323 1.655 20 0 CDADMM C[C@H]1c2ccccc2CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001590338289 1173363660 /nfs/dbraw/zinc/36/36/60/1173363660.db2.gz OYUNZPBOXNLBGH-JTQLQIEISA-N -1 1 293.334 1.780 20 0 CDADMM C[C@H]1c2ccccc2CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001590338289 1173363664 /nfs/dbraw/zinc/36/36/64/1173363664.db2.gz OYUNZPBOXNLBGH-JTQLQIEISA-N -1 1 293.334 1.780 20 0 CDADMM C[C@H]1SCC[C@H]1Nc1cccnc1-c1nnn[n-]1 ZINC001590338561 1173365989 /nfs/dbraw/zinc/36/59/89/1173365989.db2.gz UAWBBLSVSOSICO-HTQZYQBOSA-N -1 1 262.342 1.568 20 0 CDADMM C[C@H]1SCC[C@H]1Nc1cccnc1-c1nn[n-]n1 ZINC001590338561 1173365996 /nfs/dbraw/zinc/36/59/96/1173365996.db2.gz UAWBBLSVSOSICO-HTQZYQBOSA-N -1 1 262.342 1.568 20 0 CDADMM CC[C@H](C)C[C@H](C)Nc1ncncc1-c1nn[n-]n1 ZINC001590406276 1173392062 /nfs/dbraw/zinc/39/20/62/1173392062.db2.gz LBBQWAYMMZQDCZ-IUCAKERBSA-N -1 1 261.333 1.893 20 0 CDADMM CC[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)nc(C)n2)CCO1 ZINC001590506996 1173440781 /nfs/dbraw/zinc/44/07/81/1173440781.db2.gz YGUNQSRKMBOGOK-UWVGGRQHSA-N -1 1 289.343 1.335 20 0 CDADMM CC[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)nc(C)n2)CCO1 ZINC001590506996 1173440785 /nfs/dbraw/zinc/44/07/85/1173440785.db2.gz YGUNQSRKMBOGOK-UWVGGRQHSA-N -1 1 289.343 1.335 20 0 CDADMM CC/C=C\CNC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590530276 1173452966 /nfs/dbraw/zinc/45/29/66/1173452966.db2.gz BKPWACNLDPNMJJ-ARJAWSKDSA-N -1 1 292.368 1.694 20 0 CDADMM CCN(Cc1ccoc1)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590721889 1173500768 /nfs/dbraw/zinc/50/07/68/1173500768.db2.gz URIMBPZSUMYXQX-UHFFFAOYSA-N -1 1 287.279 1.715 20 0 CDADMM CCN(Cc1ccoc1)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590721889 1173500776 /nfs/dbraw/zinc/50/07/76/1173500776.db2.gz URIMBPZSUMYXQX-UHFFFAOYSA-N -1 1 287.279 1.715 20 0 CDADMM CCOC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001590800131 1173516195 /nfs/dbraw/zinc/51/61/95/1173516195.db2.gz ATQCJLCWBZDRHG-JTQLQIEISA-N -1 1 289.343 1.052 20 0 CDADMM CCOC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001590800131 1173516199 /nfs/dbraw/zinc/51/61/99/1173516199.db2.gz ATQCJLCWBZDRHG-JTQLQIEISA-N -1 1 289.343 1.052 20 0 CDADMM CCOCCCCNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590809199 1173516229 /nfs/dbraw/zinc/51/62/29/1173516229.db2.gz QNVBRFHFBNJORR-UHFFFAOYSA-N -1 1 293.327 1.315 20 0 CDADMM CCOCCCCNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590809199 1173516233 /nfs/dbraw/zinc/51/62/33/1173516233.db2.gz QNVBRFHFBNJORR-UHFFFAOYSA-N -1 1 293.327 1.315 20 0 CDADMM CCOCc1nnc(-c2ccc(-c3nnn[n-]3)s2)o1 ZINC001590818075 1173523358 /nfs/dbraw/zinc/52/33/58/1173523358.db2.gz BTEGTHDVNPQIOD-UHFFFAOYSA-N -1 1 278.297 1.515 20 0 CDADMM CCOCc1nnc(-c2ccc(-c3nn[n-]n3)s2)o1 ZINC001590818075 1173523363 /nfs/dbraw/zinc/52/33/63/1173523363.db2.gz BTEGTHDVNPQIOD-UHFFFAOYSA-N -1 1 278.297 1.515 20 0 CDADMM CCc1cccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1O ZINC001590894221 1173536751 /nfs/dbraw/zinc/53/67/51/1173536751.db2.gz WLVZFLCAORFWBN-UHFFFAOYSA-N -1 1 299.294 1.110 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](C)[C@H](C)C2)n1 ZINC001590905673 1173539252 /nfs/dbraw/zinc/53/92/52/1173539252.db2.gz JXHXRONUYOOJPR-VHSXEESVSA-N -1 1 287.371 1.701 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](C)[C@H](C)C2)n1 ZINC001590905673 1173539258 /nfs/dbraw/zinc/53/92/58/1173539258.db2.gz JXHXRONUYOOJPR-VHSXEESVSA-N -1 1 287.371 1.701 20 0 CDADMM CN(C(=O)Cc1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC001590984576 1173557054 /nfs/dbraw/zinc/55/70/54/1173557054.db2.gz WRAFNKKPHHXCNF-UHFFFAOYSA-N -1 1 274.328 1.061 20 0 CDADMM CN(C(=O)Cc1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001590984576 1173557067 /nfs/dbraw/zinc/55/70/67/1173557067.db2.gz WRAFNKKPHHXCNF-UHFFFAOYSA-N -1 1 274.328 1.061 20 0 CDADMM CN(C(=O)c1cccc(-c2nnn[n-]2)n1)C1CCCCC1 ZINC001590995118 1173557593 /nfs/dbraw/zinc/55/75/93/1173557593.db2.gz SAFMMZGBSUUJTO-UHFFFAOYSA-N -1 1 286.339 1.666 20 0 CDADMM CN(C(=O)c1cccc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001590995118 1173557598 /nfs/dbraw/zinc/55/75/98/1173557598.db2.gz SAFMMZGBSUUJTO-UHFFFAOYSA-N -1 1 286.339 1.666 20 0 CDADMM COC(=O)[C@@H](C)SCc1ccc(-c2nnn[n-]2)o1 ZINC001591230138 1173594731 /nfs/dbraw/zinc/59/47/31/1173594731.db2.gz BYUXKMZXEMJDMQ-ZCFIWIBFSA-N -1 1 268.298 1.254 20 0 CDADMM COC(=O)[C@@H](C)SCc1ccc(-c2nn[n-]n2)o1 ZINC001591230138 1173594734 /nfs/dbraw/zinc/59/47/34/1173594734.db2.gz BYUXKMZXEMJDMQ-ZCFIWIBFSA-N -1 1 268.298 1.254 20 0 CDADMM CO[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001591358884 1173627099 /nfs/dbraw/zinc/62/70/99/1173627099.db2.gz SEVSGMQYBXNPSM-ZJUUUORDSA-N -1 1 274.328 1.265 20 0 CDADMM CO[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001591358884 1173627104 /nfs/dbraw/zinc/62/71/04/1173627104.db2.gz SEVSGMQYBXNPSM-ZJUUUORDSA-N -1 1 274.328 1.265 20 0 CDADMM COCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001591391248 1173641794 /nfs/dbraw/zinc/64/17/94/1173641794.db2.gz YYWIKLFPWRBWCP-UHFFFAOYSA-N -1 1 275.316 1.028 20 0 CDADMM COCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001591391248 1173641798 /nfs/dbraw/zinc/64/17/98/1173641798.db2.gz YYWIKLFPWRBWCP-UHFFFAOYSA-N -1 1 275.316 1.028 20 0 CDADMM COc1cc(C=O)ccc1Oc1ccnc(-c2nn[n-]n2)n1 ZINC001591523832 1173665332 /nfs/dbraw/zinc/66/53/32/1173665332.db2.gz PMYHTCYBGRYCJJ-UHFFFAOYSA-N -1 1 298.262 1.270 20 0 CDADMM COc1cc(Oc2nnccc2-c2nnn[n-]2)ccc1F ZINC001591555347 1173668976 /nfs/dbraw/zinc/66/89/76/1173668976.db2.gz UTHODNDCNYZJEH-UHFFFAOYSA-N -1 1 288.242 1.597 20 0 CDADMM COc1cc(Oc2nnccc2-c2nn[n-]n2)ccc1F ZINC001591555347 1173668979 /nfs/dbraw/zinc/66/89/79/1173668979.db2.gz UTHODNDCNYZJEH-UHFFFAOYSA-N -1 1 288.242 1.597 20 0 CDADMM Cc1ncc(Cn2cc(C)cc(-c3nn[n-]n3)c2=O)s1 ZINC001591837001 1173712088 /nfs/dbraw/zinc/71/20/88/1173712088.db2.gz SCAIFSMUPLAIBZ-UHFFFAOYSA-N -1 1 288.336 1.150 20 0 CDADMM Cc1cc(C)nc(Cn2cc(-c3nn[n-]n3)ccc2=O)c1 ZINC001591956960 1173753745 /nfs/dbraw/zinc/75/37/45/1173753745.db2.gz SXOFFMVMXRNHGZ-UHFFFAOYSA-N -1 1 282.307 1.089 20 0 CDADMM Cc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)cc(C)n1 ZINC001591965693 1173756435 /nfs/dbraw/zinc/75/64/35/1173756435.db2.gz KJBIWQLQWJABOV-UHFFFAOYSA-N -1 1 298.306 1.402 20 0 CDADMM Cc1cc(N[C@@H](C)CC[S@@](C)=O)nc(-c2nnn[n-]2)c1 ZINC001592035164 1173778739 /nfs/dbraw/zinc/77/87/39/1173778739.db2.gz YOZPNWNCJKXGNV-GWNMQOMSSA-N -1 1 294.384 1.139 20 0 CDADMM Cc1cc(N[C@@H](C)CC[S@@](C)=O)nc(-c2nn[n-]n2)c1 ZINC001592035164 1173778742 /nfs/dbraw/zinc/77/87/42/1173778742.db2.gz YOZPNWNCJKXGNV-GWNMQOMSSA-N -1 1 294.384 1.139 20 0 CDADMM Cc1nnc(CNc2cc(C)nc(-c3nnn[n-]3)c2)s1 ZINC001592053605 1173789660 /nfs/dbraw/zinc/78/96/60/1173789660.db2.gz LCFLBFDTWKLYLA-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Cc1nnc(CNc2cc(C)nc(-c3nn[n-]n3)c2)s1 ZINC001592053605 1173789666 /nfs/dbraw/zinc/78/96/66/1173789666.db2.gz LCFLBFDTWKLYLA-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Cc1ccc(CNc2cncc(-c3nnn[n-]3)n2)nc1C ZINC001592167403 1173820466 /nfs/dbraw/zinc/82/04/66/1173820466.db2.gz IZFGTDHEDWSNIC-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1ccc(CNc2cncc(-c3nn[n-]n3)n2)nc1C ZINC001592167403 1173820471 /nfs/dbraw/zinc/82/04/71/1173820471.db2.gz IZFGTDHEDWSNIC-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1ccccc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592249962 1173835647 /nfs/dbraw/zinc/83/56/47/1173835647.db2.gz NMNPADUUAGPHBG-UHFFFAOYSA-N -1 1 269.268 1.151 20 0 CDADMM Cc1ccccc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592249962 1173835654 /nfs/dbraw/zinc/83/56/54/1173835654.db2.gz NMNPADUUAGPHBG-UHFFFAOYSA-N -1 1 269.268 1.151 20 0 CDADMM Cc1ccnc(CNc2cccnc2-c2nnn[n-]2)c1 ZINC001592271760 1173838601 /nfs/dbraw/zinc/83/86/01/1173838601.db2.gz MIAOXACVQSMNTP-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1ccnc(CNc2cccnc2-c2nn[n-]n2)c1 ZINC001592271760 1173838602 /nfs/dbraw/zinc/83/86/02/1173838602.db2.gz MIAOXACVQSMNTP-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1cn(C)nc1CNc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001592287564 1173845987 /nfs/dbraw/zinc/84/59/87/1173845987.db2.gz MXDUVWLJEUGHAC-UHFFFAOYSA-N -1 1 299.342 1.121 20 0 CDADMM Cc1cn(C)nc1CNc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592287564 1173845992 /nfs/dbraw/zinc/84/59/92/1173845992.db2.gz MXDUVWLJEUGHAC-UHFFFAOYSA-N -1 1 299.342 1.121 20 0 CDADMM Cc1conc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001592312046 1173851038 /nfs/dbraw/zinc/85/10/38/1173851038.db2.gz LPSHIEBJLOUWQC-UHFFFAOYSA-N -1 1 260.213 1.008 20 0 CDADMM Cc1conc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001592312046 1173851042 /nfs/dbraw/zinc/85/10/42/1173851042.db2.gz LPSHIEBJLOUWQC-UHFFFAOYSA-N -1 1 260.213 1.008 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@H]2CCC(C)(C)CO2)c1C ZINC001592340623 1173861768 /nfs/dbraw/zinc/86/17/68/1173861768.db2.gz YSHSBBDTKQIRGP-LLVKDONJSA-N -1 1 290.371 1.885 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@H]2CCC(C)(C)CO2)c1C ZINC001592340623 1173861772 /nfs/dbraw/zinc/86/17/72/1173861772.db2.gz YSHSBBDTKQIRGP-LLVKDONJSA-N -1 1 290.371 1.885 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(CCOCC(F)(F)F)c1C ZINC001592340059 1173862256 /nfs/dbraw/zinc/86/22/56/1173862256.db2.gz UGVGZFNYGCZQJH-UHFFFAOYSA-N -1 1 290.249 1.259 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(CCOCC(F)(F)F)c1C ZINC001592340059 1173862261 /nfs/dbraw/zinc/86/22/61/1173862261.db2.gz UGVGZFNYGCZQJH-UHFFFAOYSA-N -1 1 290.249 1.259 20 0 CDADMM Cc1ncc(CNc2cccc(-c3nnn[n-]3)n2)o1 ZINC001592410162 1173882556 /nfs/dbraw/zinc/88/25/56/1173882556.db2.gz FUFXXUUUOOSEIP-UHFFFAOYSA-N -1 1 257.257 1.170 20 0 CDADMM Cc1ncc(CNc2cccc(-c3nn[n-]n3)n2)o1 ZINC001592410162 1173882565 /nfs/dbraw/zinc/88/25/65/1173882565.db2.gz FUFXXUUUOOSEIP-UHFFFAOYSA-N -1 1 257.257 1.170 20 0 CDADMM Cc1onc(CC(=O)NCCC2(C)CC2)c1-c1nnn[n-]1 ZINC001592517156 1173911769 /nfs/dbraw/zinc/91/17/69/1173911769.db2.gz KOOZHHYANQJQDM-UHFFFAOYSA-N -1 1 290.327 1.012 20 0 CDADMM Cc1onc(CC(=O)NCCC2(C)CC2)c1-c1nn[n-]n1 ZINC001592517156 1173911773 /nfs/dbraw/zinc/91/17/73/1173911773.db2.gz KOOZHHYANQJQDM-UHFFFAOYSA-N -1 1 290.327 1.012 20 0 CDADMM Cn1cncc1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001592590123 1173924220 /nfs/dbraw/zinc/92/42/20/1173924220.db2.gz LKCRQXGUKKWYQK-UHFFFAOYSA-N -1 1 296.747 1.322 20 0 CDADMM Cn1cncc1CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001592590123 1173924226 /nfs/dbraw/zinc/92/42/26/1173924226.db2.gz LKCRQXGUKKWYQK-UHFFFAOYSA-N -1 1 296.747 1.322 20 0 CDADMM FC(F)(F)[C@@H]1CCN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001592616229 1173931225 /nfs/dbraw/zinc/93/12/25/1173931225.db2.gz UEFQYSIVOXAKQN-LURJTMIESA-N -1 1 290.274 1.460 20 0 CDADMM FC(F)(F)[C@@H]1CCN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001592616229 1173931229 /nfs/dbraw/zinc/93/12/29/1173931229.db2.gz UEFQYSIVOXAKQN-LURJTMIESA-N -1 1 290.274 1.460 20 0 CDADMM Fc1c(Cl)cccc1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001592633031 1173944387 /nfs/dbraw/zinc/94/43/87/1173944387.db2.gz HHFOBYCMKSUBFF-UHFFFAOYSA-N -1 1 293.693 1.994 20 0 CDADMM Fc1c(Cl)cccc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001592633031 1173944393 /nfs/dbraw/zinc/94/43/93/1173944393.db2.gz HHFOBYCMKSUBFF-UHFFFAOYSA-N -1 1 293.693 1.994 20 0 CDADMM O=C(CCc1ccoc1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592856578 1173998106 /nfs/dbraw/zinc/99/81/06/1173998106.db2.gz ZRJVOQRMUYEDRB-UHFFFAOYSA-N -1 1 298.306 1.104 20 0 CDADMM O=C(CCc1ccoc1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592856578 1173998110 /nfs/dbraw/zinc/99/81/10/1173998110.db2.gz ZRJVOQRMUYEDRB-UHFFFAOYSA-N -1 1 298.306 1.104 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CC[C@H](C2CC2)C1 ZINC001592913421 1174003589 /nfs/dbraw/zinc/00/35/89/1174003589.db2.gz HDKSMJQZRNOADK-LBPRGKRZSA-N -1 1 298.350 1.063 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CC[C@H](C2CC2)C1 ZINC001592913421 1174003594 /nfs/dbraw/zinc/00/35/94/1174003594.db2.gz HDKSMJQZRNOADK-LBPRGKRZSA-N -1 1 298.350 1.063 20 0 CDADMM O=C(N[C@@H]1CCCC[C@H]1F)c1ccc(-c2nnn[n-]2)nc1 ZINC001593173739 1174030268 /nfs/dbraw/zinc/03/02/68/1174030268.db2.gz LBDPQOSHJPWKHB-NXEZZACHSA-N -1 1 290.302 1.272 20 0 CDADMM O=C(N[C@@H]1CCCC[C@H]1F)c1ccc(-c2nn[n-]n2)nc1 ZINC001593173739 1174030274 /nfs/dbraw/zinc/03/02/74/1174030274.db2.gz LBDPQOSHJPWKHB-NXEZZACHSA-N -1 1 290.302 1.272 20 0 CDADMM O=C(Nc1cnn(C2CCC2)c1)c1coc(-c2nnn[n-]2)c1 ZINC001593259199 1174042699 /nfs/dbraw/zinc/04/26/99/1174042699.db2.gz GDQWIKUUNLRWQQ-UHFFFAOYSA-N -1 1 299.294 1.634 20 0 CDADMM O=C(Nc1cnn(C2CCC2)c1)c1coc(-c2nn[n-]n2)c1 ZINC001593259199 1174042705 /nfs/dbraw/zinc/04/27/05/1174042705.db2.gz GDQWIKUUNLRWQQ-UHFFFAOYSA-N -1 1 299.294 1.634 20 0 CDADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)C1(F)CC1 ZINC001593263310 1174042847 /nfs/dbraw/zinc/04/28/47/1174042847.db2.gz MBPYIAOJMBWKBJ-UHFFFAOYSA-N -1 1 288.695 1.417 20 0 CDADMM O=C(Nc1ccon1)c1csc(-c2nn[n-]n2)c1 ZINC001593257167 1174044333 /nfs/dbraw/zinc/04/43/33/1174044333.db2.gz RVAGQYNNZUENMY-UHFFFAOYSA-N -1 1 262.254 1.169 20 0 CDADMM O=C([O-])c1coc(CNCc2cccc(-c3nn[nH]n3)c2)c1 ZINC001593282966 1174048730 /nfs/dbraw/zinc/04/87/30/1174048730.db2.gz JCTORRBIMZBHLO-UHFFFAOYSA-N -1 1 299.290 1.448 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCOC1 ZINC001593299629 1174058000 /nfs/dbraw/zinc/05/80/00/1174058000.db2.gz XTYBUVKGHMRBCE-SSDOTTSWSA-N -1 1 280.309 1.008 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC001593340980 1174068565 /nfs/dbraw/zinc/06/85/65/1174068565.db2.gz SCLYOJICAIEAAD-ZWNOBZJWSA-N -1 1 299.334 1.720 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC001593340980 1174068569 /nfs/dbraw/zinc/06/85/69/1174068569.db2.gz SCLYOJICAIEAAD-ZWNOBZJWSA-N -1 1 299.334 1.720 20 0 CDADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CC(F)(F)C1 ZINC001593349604 1174068896 /nfs/dbraw/zinc/06/88/96/1174068896.db2.gz FHDASCUZLQKEJE-UHFFFAOYSA-N -1 1 283.213 1.097 20 0 CDADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CC(F)(F)C1 ZINC001593349604 1174068900 /nfs/dbraw/zinc/06/89/00/1174068900.db2.gz FHDASCUZLQKEJE-UHFFFAOYSA-N -1 1 283.213 1.097 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC2CCC1CC2 ZINC001593368052 1174070517 /nfs/dbraw/zinc/07/05/17/1174070517.db2.gz QVRAYVPAZXZRRY-UHFFFAOYSA-N -1 1 273.296 1.474 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC2CCC1CC2 ZINC001593368052 1174070522 /nfs/dbraw/zinc/07/05/22/1174070522.db2.gz QVRAYVPAZXZRRY-UHFFFAOYSA-N -1 1 273.296 1.474 20 0 CDADMM O[C@H]1Cc2ccccc2[C@@H]1Nc1cccnc1-c1nnn[n-]1 ZINC001593520261 1174099017 /nfs/dbraw/zinc/09/90/17/1174099017.db2.gz DVNVSAIYOUODIM-STQMWFEESA-N -1 1 294.318 1.332 20 0 CDADMM O[C@H]1Cc2ccccc2[C@@H]1Nc1cccnc1-c1nn[n-]n1 ZINC001593520261 1174099022 /nfs/dbraw/zinc/09/90/22/1174099022.db2.gz DVNVSAIYOUODIM-STQMWFEESA-N -1 1 294.318 1.332 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC001593549712 1174121494 /nfs/dbraw/zinc/12/14/94/1174121494.db2.gz BUBQFCSXSFQZAY-PWSUYJOCSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC001593549712 1174121498 /nfs/dbraw/zinc/12/14/98/1174121498.db2.gz BUBQFCSXSFQZAY-PWSUYJOCSA-N -1 1 286.339 1.267 20 0 CDADMM c1ccc(C[C@@H]2C[C@H]2Nc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001593572349 1174142683 /nfs/dbraw/zinc/14/26/83/1174142683.db2.gz ZOGGPWQKMBCMOP-VXGBXAGGSA-N -1 1 293.334 1.700 20 0 CDADMM c1ccc(C[C@@H]2C[C@H]2Nc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001593572349 1174142690 /nfs/dbraw/zinc/14/26/90/1174142690.db2.gz ZOGGPWQKMBCMOP-VXGBXAGGSA-N -1 1 293.334 1.700 20 0 CDADMM c1ccc2c(c1)CON(c1ccnc(-c3nnn[n-]3)c1)C2 ZINC001593579656 1174144420 /nfs/dbraw/zinc/14/44/20/1174144420.db2.gz NCPIBKOYBWHQGY-UHFFFAOYSA-N -1 1 280.291 1.714 20 0 CDADMM c1ccc2c(c1)CON(c1ccnc(-c3nn[n-]n3)c1)C2 ZINC001593579656 1174144428 /nfs/dbraw/zinc/14/44/28/1174144428.db2.gz NCPIBKOYBWHQGY-UHFFFAOYSA-N -1 1 280.291 1.714 20 0 CDADMM c1csc(CCCNc2cccnc2-c2nnn[n-]2)n1 ZINC001593584369 1174152340 /nfs/dbraw/zinc/15/23/40/1174152340.db2.gz LXONYIOXROFJIR-UHFFFAOYSA-N -1 1 287.352 1.763 20 0 CDADMM c1csc(CCCNc2cccnc2-c2nn[n-]n2)n1 ZINC001593584369 1174152345 /nfs/dbraw/zinc/15/23/45/1174152345.db2.gz LXONYIOXROFJIR-UHFFFAOYSA-N -1 1 287.352 1.763 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CCCCCCCC2)n1 ZINC001593590013 1174156660 /nfs/dbraw/zinc/15/66/60/1174156660.db2.gz BVVJFGALLVCWFC-UHFFFAOYSA-N -1 1 273.344 1.817 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CCCCCCCC2)n1 ZINC001593590013 1174156663 /nfs/dbraw/zinc/15/66/63/1174156663.db2.gz BVVJFGALLVCWFC-UHFFFAOYSA-N -1 1 273.344 1.817 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1N[C@H]1CC2CCC1CC2 ZINC001593590130 1174158168 /nfs/dbraw/zinc/15/81/68/1174158168.db2.gz HKYUHOMZUCFSGV-RTBKNWGFSA-N -1 1 271.328 1.647 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1N[C@H]1CC2CCC1CC2 ZINC001593590130 1174158169 /nfs/dbraw/zinc/15/81/69/1174158169.db2.gz HKYUHOMZUCFSGV-RTBKNWGFSA-N -1 1 271.328 1.647 20 0 CDADMM Cc1c(CNC(=O)c2ccc(F)c([O-])c2)cnn1C ZINC001598339138 1174313747 /nfs/dbraw/zinc/31/37/47/1174313747.db2.gz KBMYZDWKUVMYOA-UHFFFAOYSA-N -1 1 263.272 1.503 20 0 CDADMM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ncn[nH]2)cc1 ZINC001600371973 1174457196 /nfs/dbraw/zinc/45/71/96/1174457196.db2.gz KOQVUWJQFPKSGC-JTQLQIEISA-N -1 1 274.280 1.059 20 0 CDADMM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2nc[nH]n2)cc1 ZINC001600371973 1174457200 /nfs/dbraw/zinc/45/72/00/1174457200.db2.gz KOQVUWJQFPKSGC-JTQLQIEISA-N -1 1 274.280 1.059 20 0 CDADMM Cc1cccnc1CN[C@H](CC(F)(F)F)C(=O)[O-] ZINC001600593781 1174518088 /nfs/dbraw/zinc/51/80/88/1174518088.db2.gz SUVDQLIHUMKEEX-MRVPVSSYSA-N -1 1 262.231 1.885 20 0 CDADMM Cc1cnc([C@@H](C)N2CCSC[C@@H](C(=O)[O-])C2)o1 ZINC001600618014 1174532053 /nfs/dbraw/zinc/53/20/53/1174532053.db2.gz CQUDZRMXMBCUCN-ZJUUUORDSA-N -1 1 270.354 1.794 20 0 CDADMM Cc1nc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])s2)n[nH]1 ZINC001600791666 1174612468 /nfs/dbraw/zinc/61/24/68/1174612468.db2.gz AUHQWLPRJDDXGU-YFKPBYRVSA-N -1 1 295.324 1.756 20 0 CDADMM CC(C)C[C@H](CO)Nc1ccnc(-c2nnn[n-]2)c1 ZINC000103567247 1174681481 /nfs/dbraw/zinc/68/14/81/1174681481.db2.gz VKDFYJKDCGQTLP-SNVBAGLBSA-N -1 1 262.317 1.081 20 0 CDADMM CC(C)C[C@H](CO)Nc1ccnc(-c2nn[n-]n2)c1 ZINC000103567247 1174681487 /nfs/dbraw/zinc/68/14/87/1174681487.db2.gz VKDFYJKDCGQTLP-SNVBAGLBSA-N -1 1 262.317 1.081 20 0 CDADMM Cn1nc(NC(=O)c2cccc3c[nH]nc32)cc1C(=O)[O-] ZINC001601016193 1174704264 /nfs/dbraw/zinc/70/42/64/1174704264.db2.gz UPVMPZOLBUBRSL-UHFFFAOYSA-N -1 1 285.263 1.247 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC001601632173 1174918960 /nfs/dbraw/zinc/91/89/60/1174918960.db2.gz JVWDXXBJTDOFQS-NKWVEPMBSA-N -1 1 263.228 1.361 20 0 CDADMM O=C([O-])C1(NS(=O)(=O)c2ccccc2O)CCCC1 ZINC001601723858 1174968515 /nfs/dbraw/zinc/96/85/15/1174968515.db2.gz KFTKPKCWOYSJAT-UHFFFAOYSA-N -1 1 285.321 1.068 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](O)C[N@H+](C/C=C/c2cccc(F)c2)C1 ZINC001601766600 1174995733 /nfs/dbraw/zinc/99/57/33/1174995733.db2.gz CKPQKRXBNNNTPD-LDVDSAPTSA-N -1 1 279.311 1.606 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](O)CN(c2cc[nH+]c3c([O-])cccc23)C1 ZINC001601769952 1174997603 /nfs/dbraw/zinc/99/76/03/1174997603.db2.gz RFSQVKLOZVYHGZ-ZJUUUORDSA-N -1 1 288.303 1.212 20 0 CDADMM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)[C@@H]2C1 ZINC001601863520 1175042006 /nfs/dbraw/zinc/04/20/06/1175042006.db2.gz ZEQUIRGXAATLOH-OHUUWBQVSA-N -1 1 289.335 1.129 20 0 CDADMM O=C([O-])C[C@@H](NC(=O)c1cccc(F)c1O)C1CC1 ZINC001601904820 1175059419 /nfs/dbraw/zinc/05/94/19/1175059419.db2.gz AHHDBOWMFFQTMF-SNVBAGLBSA-N -1 1 267.256 1.514 20 0 CDADMM O=C([O-])C[C@H]1CN(c2cc[nH+]c3c([O-])cccc23)CCO1 ZINC001601962721 1175089337 /nfs/dbraw/zinc/08/93/37/1175089337.db2.gz TYVRWLNNEDBOCI-JTQLQIEISA-N -1 1 288.303 1.620 20 0 CDADMM O=C([O-])c1cc(Br)oc1CN[C@H]1CCOC1 ZINC001602241813 1175178103 /nfs/dbraw/zinc/17/81/03/1175178103.db2.gz YTRZBTAQLKBLTG-LURJTMIESA-N -1 1 290.113 1.619 20 0 CDADMM O=C([O-])c1cc(CN[C@H]2CCCc3[nH]c(=O)ccc32)on1 ZINC001602258354 1175185791 /nfs/dbraw/zinc/18/57/91/1175185791.db2.gz FCFQOPSJADFXEZ-JTQLQIEISA-N -1 1 289.291 1.641 20 0 CDADMM O=C([O-])c1ccc(CNCC[S@](=O)CC(F)(F)F)o1 ZINC001602348212 1175219882 /nfs/dbraw/zinc/21/98/82/1175219882.db2.gz VPFDPRKKDUJZKP-IBGZPJMESA-N -1 1 299.270 1.378 20 0 CDADMM O=C([O-])c1sccc1CNCc1n[nH]c(C2CC2)n1 ZINC001602596663 1175315389 /nfs/dbraw/zinc/31/53/89/1175315389.db2.gz ALHMOGPCPXIZSR-UHFFFAOYSA-N -1 1 278.337 1.732 20 0 CDADMM C/C(=C/C(=O)[O-])CN1CCN(c2cccc(F)c2)CC1 ZINC001602957220 1175460075 /nfs/dbraw/zinc/46/00/75/1175460075.db2.gz FLODAZAQUJWYJI-XFXZXTDPSA-N -1 1 278.327 1.979 20 0 CDADMM C/C(=C/CN1CCN(Cc2ccc(O)cc2)CC1)C(=O)[O-] ZINC001602964126 1175463198 /nfs/dbraw/zinc/46/31/98/1175463198.db2.gz NKZHNRAGLCUPMN-MLPAPPSSSA-N -1 1 290.363 1.541 20 0 CDADMM C[C@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1ccco1 ZINC001603019810 1175478480 /nfs/dbraw/zinc/47/84/80/1175478480.db2.gz RIQNLGJNJNQPHO-VIFPVBQESA-N -1 1 298.306 1.275 20 0 CDADMM C[C@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1ccco1 ZINC001603019810 1175478484 /nfs/dbraw/zinc/47/84/84/1175478484.db2.gz RIQNLGJNJNQPHO-VIFPVBQESA-N -1 1 298.306 1.275 20 0 CDADMM CC(C)(C(=O)Nc1ccc(CC(=O)[O-])cc1)c1cnc[nH]1 ZINC001603239103 1175521276 /nfs/dbraw/zinc/52/12/76/1175521276.db2.gz LRJRXSYPKNBFMK-UHFFFAOYSA-N -1 1 287.319 1.953 20 0 CDADMM CC(C)[C@]1(C)C[C@H]1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603237595 1175521750 /nfs/dbraw/zinc/52/17/50/1175521750.db2.gz FEAQRTJEFTUHMN-RISCZKNCSA-N -1 1 286.339 1.426 20 0 CDADMM CC(C)[C@]1(C)C[C@H]1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603237595 1175521752 /nfs/dbraw/zinc/52/17/52/1175521752.db2.gz FEAQRTJEFTUHMN-RISCZKNCSA-N -1 1 286.339 1.426 20 0 CDADMM CC(C)OC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001603347216 1175544617 /nfs/dbraw/zinc/54/46/17/1175544617.db2.gz LRBAVFFHNHVSPO-UHFFFAOYSA-N -1 1 289.343 1.051 20 0 CDADMM CC(C)OC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001603347216 1175544621 /nfs/dbraw/zinc/54/46/21/1175544621.db2.gz LRBAVFFHNHVSPO-UHFFFAOYSA-N -1 1 289.343 1.051 20 0 CDADMM CN1CCCC[C@H]1CNS(=O)(=O)c1ccccc1[O-] ZINC000127848674 1175571974 /nfs/dbraw/zinc/57/19/74/1175571974.db2.gz OUXQVFONZSVGFQ-NSHDSACASA-N -1 1 284.381 1.155 20 0 CDADMM C[C@@H](Cc1cccs1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001603584821 1175572164 /nfs/dbraw/zinc/57/21/64/1175572164.db2.gz HZQQMLCCGAXCGT-VIFPVBQESA-N -1 1 286.364 1.788 20 0 CDADMM C[C@@H](Cc1cccs1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001603584821 1175572172 /nfs/dbraw/zinc/57/21/72/1175572172.db2.gz HZQQMLCCGAXCGT-VIFPVBQESA-N -1 1 286.364 1.788 20 0 CDADMM CC(C)(CCN1CCN(C(=O)c2ccco2)CC1)C(=O)[O-] ZINC001603599119 1175577708 /nfs/dbraw/zinc/57/77/08/1175577708.db2.gz IJKHKQPLYIJFGL-UHFFFAOYSA-N -1 1 294.351 1.538 20 0 CDADMM CC(C)(CNc1nc(N)nc2c1CCCC2)CC(=O)[O-] ZINC001603647724 1175584165 /nfs/dbraw/zinc/58/41/65/1175584165.db2.gz QFOOHKRHIJXJIH-UHFFFAOYSA-N -1 1 278.356 1.850 20 0 CDADMM C[C@H](O)C[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001603696671 1175600742 /nfs/dbraw/zinc/60/07/42/1175600742.db2.gz UQRAMNGJDBPQDC-WHFBIAKZSA-N -1 1 288.764 1.548 20 0 CDADMM CC(C)C[C@H](C)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001603767853 1175623707 /nfs/dbraw/zinc/62/37/07/1175623707.db2.gz HTLHMPMTNUVENA-QWHCGFSZSA-N -1 1 284.400 1.676 20 0 CDADMM CC1(C)CCN1C(=O)c1ccsc1-c1nnn[n-]1 ZINC001603778842 1175628994 /nfs/dbraw/zinc/62/89/94/1175628994.db2.gz VIXUKKICMPBGCE-UHFFFAOYSA-N -1 1 263.326 1.553 20 0 CDADMM CC1(C)CCN1C(=O)c1ccsc1-c1nn[n-]n1 ZINC001603778842 1175628998 /nfs/dbraw/zinc/62/89/98/1175628998.db2.gz VIXUKKICMPBGCE-UHFFFAOYSA-N -1 1 263.326 1.553 20 0 CDADMM C[C@@H]1C[C@H](C(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@H](C)O1 ZINC001603845048 1175650275 /nfs/dbraw/zinc/65/02/75/1175650275.db2.gz KZSPOZZIJZLWKE-VGMNWLOBSA-N -1 1 288.311 1.014 20 0 CDADMM C[C@@H]1C[C@H](C(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@H](C)O1 ZINC001603845048 1175650278 /nfs/dbraw/zinc/65/02/78/1175650278.db2.gz KZSPOZZIJZLWKE-VGMNWLOBSA-N -1 1 288.311 1.014 20 0 CDADMM C[C@@H]1C[C@@H](C(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@H](C)O1 ZINC001603845039 1175651248 /nfs/dbraw/zinc/65/12/48/1175651248.db2.gz KZSPOZZIJZLWKE-HRDYMLBCSA-N -1 1 288.311 1.014 20 0 CDADMM C[C@@H]1C[C@@H](C(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@H](C)O1 ZINC001603845039 1175651251 /nfs/dbraw/zinc/65/12/51/1175651251.db2.gz KZSPOZZIJZLWKE-HRDYMLBCSA-N -1 1 288.311 1.014 20 0 CDADMM C[C@H]1CC(C)(C)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001603845294 1175651565 /nfs/dbraw/zinc/65/15/65/1175651565.db2.gz JRHBVGQZCWCWQG-QMMMGPOBSA-N -1 1 259.317 1.282 20 0 CDADMM CC(C)Cn1ncnc1CN1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001603866167 1175659041 /nfs/dbraw/zinc/65/90/41/1175659041.db2.gz HNQVFUHYWCPHPI-QWHCGFSZSA-N -1 1 292.383 1.477 20 0 CDADMM C[C@H]1CCN(c2ccc(-c3nn[nH]n3)c(N)[nH+]2)C[C@H]1F ZINC001603908563 1175680756 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FNSRJOGCYIAFIA-UHFFFAOYSA-N -1 1 295.364 1.824 20 0 CDADMM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1ccn(C)n1 ZINC000733868549 575140753 /nfs/dbraw/zinc/14/07/53/575140753.db2.gz LLVCZANUJAMPIL-UHFFFAOYSA-N -1 1 294.380 1.283 20 0 CDADMM O=C([O-])[C@H]1CC(=O)N(CN2CCC[C@@H](C3CCC3)C2)C1 ZINC001601758659 1174994128 /nfs/dbraw/zinc/99/41/28/1174994128.db2.gz CZWGGNRCFLRFMO-OLZOCXBDSA-N -1 1 280.368 1.389 20 0 CDADMM O=C(COC(=O)CCC1CC1)[N-]C(=O)c1ccccc1 ZINC000734611618 575365472 /nfs/dbraw/zinc/36/54/72/575365472.db2.gz OLJDDMACMAUYCI-UHFFFAOYSA-N -1 1 275.304 1.676 20 0 CDADMM COC(=O)[C@]1(NC(=O)c2c([O-])cccc2Cl)CCOC1 ZINC000769977341 575405100 /nfs/dbraw/zinc/40/51/00/575405100.db2.gz ADDUKQPBLKAGMX-ZDUSSCGKSA-N -1 1 299.710 1.108 20 0 CDADMM CO[C@H](C(=O)OCC(=O)[N-]C(=O)c1ccccc1)C(C)C ZINC000770633764 575477786 /nfs/dbraw/zinc/47/77/86/575477786.db2.gz ZTIFOCDTZXRVID-ZDUSSCGKSA-N -1 1 293.319 1.157 20 0 CDADMM CC(C)CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC000735817470 575517386 /nfs/dbraw/zinc/51/73/86/575517386.db2.gz ACCYBOSOKBBKID-UHFFFAOYSA-N -1 1 286.339 1.522 20 0 CDADMM CC(C)CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC000735817470 575517389 /nfs/dbraw/zinc/51/73/89/575517389.db2.gz ACCYBOSOKBBKID-UHFFFAOYSA-N -1 1 286.339 1.522 20 0 CDADMM CCC[C@@H](O)CC(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000735948800 575537495 /nfs/dbraw/zinc/53/74/95/575537495.db2.gz CJSIDSJLLLCJMF-GFCCVEGCSA-N -1 1 293.319 1.037 20 0 CDADMM C[C@H](NCc1cncn1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736133081 575575012 /nfs/dbraw/zinc/57/50/12/575575012.db2.gz ZWSQQQASEZPPFW-JTQLQIEISA-N -1 1 283.339 1.451 20 0 CDADMM O=C(Nc1nn[n-]n1)C(F)(F)c1ccc(F)cc1 ZINC000736155879 575583579 /nfs/dbraw/zinc/58/35/79/575583579.db2.gz FLFLKKYWOLELKU-UHFFFAOYSA-N -1 1 257.175 1.069 20 0 CDADMM CC1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736211257 575591291 /nfs/dbraw/zinc/59/12/91/575591291.db2.gz NTICOGWUEDMDDI-UHFFFAOYSA-N -1 1 286.339 1.524 20 0 CDADMM CC1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736211257 575591292 /nfs/dbraw/zinc/59/12/92/575591292.db2.gz NTICOGWUEDMDDI-UHFFFAOYSA-N -1 1 286.339 1.524 20 0 CDADMM CC(C)c1nnc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)n1C ZINC000736533513 575683235 /nfs/dbraw/zinc/68/32/35/575683235.db2.gz XWONTSJXOXMWQD-LLVKDONJSA-N -1 1 292.383 1.625 20 0 CDADMM CCN(Cc1ccoc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736556756 575688719 /nfs/dbraw/zinc/68/87/19/575688719.db2.gz SJUFWOLNFRJVIM-UHFFFAOYSA-N -1 1 298.306 1.517 20 0 CDADMM CCN(Cc1ccoc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736556756 575688722 /nfs/dbraw/zinc/68/87/22/575688722.db2.gz SJUFWOLNFRJVIM-UHFFFAOYSA-N -1 1 298.306 1.517 20 0 CDADMM C[C@@H]1C[C@@H](c2ccccc2)CN1Cn1cc(C(=O)[O-])nn1 ZINC000736758592 575735201 /nfs/dbraw/zinc/73/52/01/575735201.db2.gz DXPZLDDOPHVIOH-DGCLKSJQSA-N -1 1 286.335 1.812 20 0 CDADMM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1CCCC(=O)[O-] ZINC000736813004 575757192 /nfs/dbraw/zinc/75/71/92/575757192.db2.gz RSGUGZGNVZTVLX-NSHDSACASA-N -1 1 286.372 1.792 20 0 CDADMM C[C@H]1CN2CCCC[C@@H]2CN1C(=S)NCCCC(=O)[O-] ZINC000736822182 575759458 /nfs/dbraw/zinc/75/94/58/575759458.db2.gz QENDHBGMVUQQFQ-NWDGAFQWSA-N -1 1 299.440 1.284 20 0 CDADMM CN(Cc1ccco1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736829214 575761072 /nfs/dbraw/zinc/76/10/72/575761072.db2.gz WYXMGZPKVFYOPD-UHFFFAOYSA-N -1 1 284.279 1.127 20 0 CDADMM CN(Cc1ccco1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736829214 575761074 /nfs/dbraw/zinc/76/10/74/575761074.db2.gz WYXMGZPKVFYOPD-UHFFFAOYSA-N -1 1 284.279 1.127 20 0 CDADMM Cn1ccc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c1 ZINC000764315966 575899257 /nfs/dbraw/zinc/89/92/57/575899257.db2.gz DDKQNJZPGDNMCW-LBPRGKRZSA-N -1 1 282.307 1.058 20 0 CDADMM Cc1ccc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)c(C)c1 ZINC000737311412 575938197 /nfs/dbraw/zinc/93/81/97/575938197.db2.gz ZRJWOMLLXGJDAJ-GFCCVEGCSA-N -1 1 287.323 1.030 20 0 CDADMM Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000737320916 575939903 /nfs/dbraw/zinc/93/99/03/575939903.db2.gz RBFVOVLAKYBIPQ-SECBINFHSA-N -1 1 298.306 1.654 20 0 CDADMM Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC000737320916 575939906 /nfs/dbraw/zinc/93/99/06/575939906.db2.gz RBFVOVLAKYBIPQ-SECBINFHSA-N -1 1 298.306 1.654 20 0 CDADMM Cc1ccc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000737343178 575943814 /nfs/dbraw/zinc/94/38/14/575943814.db2.gz XBFKIHVCNAMQMN-UHFFFAOYSA-N -1 1 298.306 1.435 20 0 CDADMM Cc1ccc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC000737343178 575943817 /nfs/dbraw/zinc/94/38/17/575943817.db2.gz XBFKIHVCNAMQMN-UHFFFAOYSA-N -1 1 298.306 1.435 20 0 CDADMM Cn1[n-]c(COC(=O)c2nccc3ccccc32)nc1=O ZINC000765462166 576026459 /nfs/dbraw/zinc/02/64/59/576026459.db2.gz SCISZNILFYSHGR-UHFFFAOYSA-N -1 1 284.275 1.014 20 0 CDADMM Cn1[n-]c(COC(=O)c2c[nH]c3ccc(F)cc23)nc1=O ZINC000765498350 576031151 /nfs/dbraw/zinc/03/11/51/576031151.db2.gz YRDCKMFPJLADAR-UHFFFAOYSA-N -1 1 290.254 1.086 20 0 CDADMM O=C(NC[C@@H]1CC=CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738046306 576034068 /nfs/dbraw/zinc/03/40/68/576034068.db2.gz USPRDSUQMCEGFJ-SNVBAGLBSA-N -1 1 284.323 1.348 20 0 CDADMM O=C(NC[C@@H]1CC=CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738046306 576034071 /nfs/dbraw/zinc/03/40/71/576034071.db2.gz USPRDSUQMCEGFJ-SNVBAGLBSA-N -1 1 284.323 1.348 20 0 CDADMM O=C(OCC1CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738220675 576049816 /nfs/dbraw/zinc/04/98/16/576049816.db2.gz SKWOWMCMQGEUNU-UHFFFAOYSA-N -1 1 273.296 1.609 20 0 CDADMM O=C(OCC1CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738220675 576049818 /nfs/dbraw/zinc/04/98/18/576049818.db2.gz SKWOWMCMQGEUNU-UHFFFAOYSA-N -1 1 273.296 1.609 20 0 CDADMM CCN(CC)C(=O)CCCC(=O)[N-]OCC(F)(F)F ZINC000766766300 576132949 /nfs/dbraw/zinc/13/29/49/576132949.db2.gz CYFSCBKWWOCUMT-UHFFFAOYSA-N -1 1 284.278 1.635 20 0 CDADMM Cn1cnnc1C1CCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000739057324 576155028 /nfs/dbraw/zinc/15/50/28/576155028.db2.gz LUFBKKLQMZNZOF-UHFFFAOYSA-N -1 1 290.323 1.486 20 0 CDADMM O=C([O-])CCSCCNC(=O)c1n[nH]c2ccccc21 ZINC000739752035 576289887 /nfs/dbraw/zinc/28/98/87/576289887.db2.gz MMVHBXXAMORNGX-UHFFFAOYSA-N -1 1 293.348 1.501 20 0 CDADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ncccn1 ZINC000741036988 576534976 /nfs/dbraw/zinc/53/49/76/576534976.db2.gz JLBWOOOZTYEPRX-UHFFFAOYSA-N -1 1 298.254 1.646 20 0 CDADMM C[C@H](C(=O)[N-]n1cnc2ccccc2c1=O)C(F)(F)F ZINC000743285847 576631252 /nfs/dbraw/zinc/63/12/52/576631252.db2.gz YLROPUMFKHPJFF-SSDOTTSWSA-N -1 1 285.225 1.665 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCOC(C)(C)C1 ZINC000747207772 576862627 /nfs/dbraw/zinc/86/26/27/576862627.db2.gz PBBRONMASBDJOA-UHFFFAOYSA-N -1 1 293.367 1.865 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)c1cnn(C)c1 ZINC000747401647 576868566 /nfs/dbraw/zinc/86/85/66/576868566.db2.gz LPOVGYSVHXRWPT-UHFFFAOYSA-N -1 1 289.339 1.624 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@@H]1NCc1nnc(C2CC2)o1 ZINC001601807094 1175015576 /nfs/dbraw/zinc/01/55/76/1175015576.db2.gz DMCPVIMIJMJCIM-BDAKNGLRSA-N -1 1 251.286 1.290 20 0 CDADMM O=C([O-])CCCO[N-]C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001601995679 1175105817 /nfs/dbraw/zinc/10/58/17/1175105817.db2.gz WYTVNLFZLKZZKG-GFCCVEGCSA-N -1 1 284.356 1.306 20 0 CDADMM Cc1ccc(CC[C@@H](C)Nc2nccnc2-c2nnn[n-]2)o1 ZINC000822235895 599064721 /nfs/dbraw/zinc/06/47/21/599064721.db2.gz BCNLIXVBLFLYKY-SECBINFHSA-N -1 1 299.338 1.991 20 0 CDADMM Cc1ccc(CC[C@@H](C)Nc2nccnc2-c2nn[n-]n2)o1 ZINC000822235895 599064724 /nfs/dbraw/zinc/06/47/24/599064724.db2.gz BCNLIXVBLFLYKY-SECBINFHSA-N -1 1 299.338 1.991 20 0 CDADMM O=C([O-])c1cc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)on1 ZINC001602246378 1175180185 /nfs/dbraw/zinc/18/01/85/1175180185.db2.gz WPWAOBDVLIJWEU-SNVBAGLBSA-N -1 1 293.323 1.120 20 0 CDADMM O=C([O-])c1cc(C(=O)NC[C@H]2CCCCN2C2CC2)on1 ZINC001602246378 1175180187 /nfs/dbraw/zinc/18/01/87/1175180187.db2.gz WPWAOBDVLIJWEU-SNVBAGLBSA-N -1 1 293.323 1.120 20 0 CDADMM O=C([O-])c1cc(CN2CCC[C@@H](c3ncc[nH]3)C2)on1 ZINC001602256089 1175183191 /nfs/dbraw/zinc/18/31/91/1175183191.db2.gz URKNZRDNQPKHCU-SECBINFHSA-N -1 1 276.296 1.476 20 0 CDADMM C[C@H](NC(=O)CN(C)CCC(=O)[O-])c1cccs1 ZINC000037933191 596998488 /nfs/dbraw/zinc/99/84/88/596998488.db2.gz AFOBZISOXSIELY-VIFPVBQESA-N -1 1 270.354 1.332 20 0 CDADMM CCN(CC(=O)N[C@H](C(=O)[O-])c1ccccc1)C1CC1 ZINC000820333160 597372749 /nfs/dbraw/zinc/37/27/49/597372749.db2.gz UFLZRPBFWFGLDN-AWEZNQCLSA-N -1 1 276.336 1.413 20 0 CDADMM O=C([O-])CCN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000821524936 597384510 /nfs/dbraw/zinc/38/45/10/597384510.db2.gz FVBLVGOJLXRARX-HNNXBMFYSA-N -1 1 261.321 1.635 20 0 CDADMM CN(C)c1nccc(CNCc2ccc(C(=O)[O-])cc2)n1 ZINC000263382961 597727120 /nfs/dbraw/zinc/72/71/20/597727120.db2.gz CEIZRVZCUGLSPX-UHFFFAOYSA-N -1 1 286.335 1.531 20 0 CDADMM CC[C@H](C)[C@H](NCC(=O)N1CCC[C@@H](C)C1)C(=O)[O-] ZINC000263139191 598187675 /nfs/dbraw/zinc/18/76/75/598187675.db2.gz OABOAPPKNFHGBE-MDZLAQPJSA-N -1 1 270.373 1.334 20 0 CDADMM Cc1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)o1 ZINC000826287453 608398563 /nfs/dbraw/zinc/39/85/63/608398563.db2.gz PNPIZBGBPCJJTD-UHFFFAOYSA-N -1 1 271.284 1.213 20 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CDADMM CC(C)[C@@](C)(O)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820017402 606578413 /nfs/dbraw/zinc/57/84/13/606578413.db2.gz WHOIFGUJAHUJMZ-LBPRGKRZSA-N -1 1 295.368 1.065 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1C/C(Cl)=C/Cl ZINC000823656319 606838945 /nfs/dbraw/zinc/83/89/45/606838945.db2.gz BJZMTJNWSDRIIE-XQRVVYSFSA-N -1 1 272.095 1.347 20 0 CDADMM COC(C)(C)CN(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821672166 606987356 /nfs/dbraw/zinc/98/73/56/606987356.db2.gz APSBIPDPMHDAPT-UHFFFAOYSA-N -1 1 295.368 1.425 20 0 CDADMM COC(C)(C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821672166 606987357 /nfs/dbraw/zinc/98/73/57/606987357.db2.gz APSBIPDPMHDAPT-UHFFFAOYSA-N -1 1 295.368 1.425 20 0 CDADMM C[C@@H]1CC[C@@H](CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000820684522 607092998 /nfs/dbraw/zinc/09/29/98/607092998.db2.gz QVXKWIJNROLQFV-RKDXNWHRSA-N -1 1 289.343 1.365 20 0 CDADMM C[C@@H]1CC[C@@H](CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000820684522 607092997 /nfs/dbraw/zinc/09/29/97/607092997.db2.gz QVXKWIJNROLQFV-RKDXNWHRSA-N -1 1 289.343 1.365 20 0 CDADMM Cc1ccncc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822379909 607185450 /nfs/dbraw/zinc/18/54/50/607185450.db2.gz VBULNAZFPYXUKS-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1ccncc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822379909 607185451 /nfs/dbraw/zinc/18/54/51/607185451.db2.gz VBULNAZFPYXUKS-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM COc1ccc(NCc2ccc(-c3nn[n-]n3)s2)nc1 ZINC000821835762 607228887 /nfs/dbraw/zinc/22/88/87/607228887.db2.gz RCUOTXRYTSUEDK-UHFFFAOYSA-N -1 1 288.336 1.944 20 0 CDADMM CC1(C)C[C@@H](Nc2nccnc2-c2nnn[n-]2)CCO1 ZINC000824796020 607821776 /nfs/dbraw/zinc/82/17/76/607821776.db2.gz LNMPDXKEQWLGOT-QMMMGPOBSA-N -1 1 275.316 1.026 20 0 CDADMM CC1(C)C[C@@H](Nc2nccnc2-c2nn[n-]n2)CCO1 ZINC000824796020 607821777 /nfs/dbraw/zinc/82/17/77/607821777.db2.gz LNMPDXKEQWLGOT-QMMMGPOBSA-N -1 1 275.316 1.026 20 0 CDADMM C[C@@H]1COCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000825005993 607822482 /nfs/dbraw/zinc/82/24/82/607822482.db2.gz FHWAVOVWWAVVGC-QMMMGPOBSA-N -1 1 294.746 1.388 20 0 CDADMM C[C@@H]1COCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000825005993 607822483 /nfs/dbraw/zinc/82/24/83/607822483.db2.gz FHWAVOVWWAVVGC-QMMMGPOBSA-N -1 1 294.746 1.388 20 0 CDADMM CCN(CC)C(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000825406638 607863330 /nfs/dbraw/zinc/86/33/30/607863330.db2.gz RUVCVYZKBPEAQU-UHFFFAOYSA-N -1 1 293.302 1.253 20 0 CDADMM CCN(CC)C(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000825406638 607863331 /nfs/dbraw/zinc/86/33/31/607863331.db2.gz RUVCVYZKBPEAQU-UHFFFAOYSA-N -1 1 293.302 1.253 20 0 CDADMM c1ccc2c(c1)CN(c1cccc(-c3nnn[n-]3)n1)CCN2 ZINC000826514021 607896827 /nfs/dbraw/zinc/89/68/27/607896827.db2.gz DJXFTGOQPYZISK-UHFFFAOYSA-N -1 1 293.334 1.694 20 0 CDADMM c1ccc2c(c1)CN(c1cccc(-c3nn[n-]n3)n1)CCN2 ZINC000826514021 607896828 /nfs/dbraw/zinc/89/68/28/607896828.db2.gz DJXFTGOQPYZISK-UHFFFAOYSA-N -1 1 293.334 1.694 20 0 CDADMM COC(=O)[C@H](C)CSc1cccc(-c2nnn[n-]2)n1 ZINC000826103690 607899670 /nfs/dbraw/zinc/89/96/70/607899670.db2.gz KWTVZJMXYKQXLA-SSDOTTSWSA-N -1 1 279.325 1.163 20 0 CDADMM COC(=O)[C@H](C)CSc1cccc(-c2nn[n-]n2)n1 ZINC000826103690 607899671 /nfs/dbraw/zinc/89/96/71/607899671.db2.gz KWTVZJMXYKQXLA-SSDOTTSWSA-N -1 1 279.325 1.163 20 0 CDADMM Fc1cccc(CCNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826376672 607988572 /nfs/dbraw/zinc/98/85/72/607988572.db2.gz NOQNOWVCCMBNCW-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM Fc1cccc(CCNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826376672 607988573 /nfs/dbraw/zinc/98/85/73/607988573.db2.gz NOQNOWVCCMBNCW-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM CCc1onc(C)c1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825782316 608009175 /nfs/dbraw/zinc/00/91/75/608009175.db2.gz CDMUZSNGAKDTBK-UHFFFAOYSA-N -1 1 299.294 1.373 20 0 CDADMM CCc1onc(C)c1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825782316 608009176 /nfs/dbraw/zinc/00/91/76/608009176.db2.gz CDMUZSNGAKDTBK-UHFFFAOYSA-N -1 1 299.294 1.373 20 0 CDADMM C[C@@H](CO)N(C)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000824440875 608123496 /nfs/dbraw/zinc/12/34/96/608123496.db2.gz KFYFLMDNSOLRPS-VIFPVBQESA-N -1 1 284.323 1.232 20 0 CDADMM C[C@@H](CO)N(C)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000824440875 608123497 /nfs/dbraw/zinc/12/34/97/608123497.db2.gz KFYFLMDNSOLRPS-VIFPVBQESA-N -1 1 284.323 1.232 20 0 CDADMM C[C@@H]1OCC[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000825021108 608148338 /nfs/dbraw/zinc/14/83/38/608148338.db2.gz OXVOLKRHSMUVGL-WHFBIAKZSA-N -1 1 286.748 1.566 20 0 CDADMM C[C@@H]1OCC[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000825021108 608148340 /nfs/dbraw/zinc/14/83/40/608148340.db2.gz OXVOLKRHSMUVGL-WHFBIAKZSA-N -1 1 286.748 1.566 20 0 CDADMM C[C@@H](CO)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824440711 608265049 /nfs/dbraw/zinc/26/50/49/608265049.db2.gz IYCRKKBTRFKVAV-ZETCQYMHSA-N -1 1 252.249 1.013 20 0 CDADMM C[C@@H](CO)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824440711 608265050 /nfs/dbraw/zinc/26/50/50/608265050.db2.gz IYCRKKBTRFKVAV-ZETCQYMHSA-N -1 1 252.249 1.013 20 0 CDADMM CC(C)CN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC000824261162 608394540 /nfs/dbraw/zinc/39/45/40/608394540.db2.gz CQEAPRJKRILYGN-UHFFFAOYSA-N -1 1 259.317 1.282 20 0 CDADMM CC(C)CN(c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC000824261162 608394542 /nfs/dbraw/zinc/39/45/42/608394542.db2.gz CQEAPRJKRILYGN-UHFFFAOYSA-N -1 1 259.317 1.282 20 0 CDADMM c1coc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826526285 608420672 /nfs/dbraw/zinc/42/06/72/608420672.db2.gz SJUNIKBGJWEOQZ-JTQLQIEISA-N -1 1 283.295 1.591 20 0 CDADMM c1coc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826526285 608420673 /nfs/dbraw/zinc/42/06/73/608420673.db2.gz SJUNIKBGJWEOQZ-JTQLQIEISA-N -1 1 283.295 1.591 20 0 CDADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)[C@H]1c1ccccc1 ZINC000824991684 608425813 /nfs/dbraw/zinc/42/58/13/608425813.db2.gz FCGFGVCADDYAHG-QMTHXVAHSA-N -1 1 293.334 1.854 20 0 CDADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)[C@H]1c1ccccc1 ZINC000824991684 608425814 /nfs/dbraw/zinc/42/58/14/608425814.db2.gz FCGFGVCADDYAHG-QMTHXVAHSA-N -1 1 293.334 1.854 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H]1CCCO1 ZINC000826280581 608541063 /nfs/dbraw/zinc/54/10/63/608541063.db2.gz HVSKFJYJORUPKG-VIFPVBQESA-N -1 1 260.301 1.161 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H](O)c1ccco1 ZINC000826280953 608543521 /nfs/dbraw/zinc/54/35/21/608543521.db2.gz XIOGQNWCPFIYQO-SNVBAGLBSA-N -1 1 286.295 1.309 20 0 CDADMM CCO[C@H]1CCCN(c2nc(-c3nnn[n-]3)ccc2C)C1 ZINC000825581482 608543782 /nfs/dbraw/zinc/54/37/82/608543782.db2.gz BENYNBYVWXYXPB-NSHDSACASA-N -1 1 288.355 1.575 20 0 CDADMM CCO[C@H]1CCCN(c2nc(-c3nn[n-]n3)ccc2C)C1 ZINC000825581482 608543783 /nfs/dbraw/zinc/54/37/83/608543783.db2.gz BENYNBYVWXYXPB-NSHDSACASA-N -1 1 288.355 1.575 20 0 CDADMM C[C@H]1OCCN(Cc2ccc(-c3nnn[n-]3)o2)[C@H]1C ZINC000825022672 608702481 /nfs/dbraw/zinc/70/24/81/608702481.db2.gz YXSUSDXJLVKQSZ-DTWKUNHWSA-N -1 1 263.301 1.069 20 0 CDADMM C[C@H]1OCCN(Cc2ccc(-c3nn[n-]n3)o2)[C@H]1C ZINC000825022672 608702483 /nfs/dbraw/zinc/70/24/83/608702483.db2.gz YXSUSDXJLVKQSZ-DTWKUNHWSA-N -1 1 263.301 1.069 20 0 CDADMM C[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)CCO1 ZINC000824894291 608764596 /nfs/dbraw/zinc/76/45/96/608764596.db2.gz XOUFAWFMIPQSFY-JGVFFNPUSA-N -1 1 293.352 1.226 20 0 CDADMM C[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000824894291 608764598 /nfs/dbraw/zinc/76/45/98/608764598.db2.gz XOUFAWFMIPQSFY-JGVFFNPUSA-N -1 1 293.352 1.226 20 0 CDADMM CCOC(=O)CCCCCn1ccnc1-c1nnn[n-]1 ZINC000825507235 608889588 /nfs/dbraw/zinc/88/95/88/608889588.db2.gz PKZOQYJJQGVUPH-UHFFFAOYSA-N -1 1 278.316 1.187 20 0 CDADMM CCOC(=O)CCCCCn1ccnc1-c1nn[n-]n1 ZINC000825507235 608889591 /nfs/dbraw/zinc/88/95/91/608889591.db2.gz PKZOQYJJQGVUPH-UHFFFAOYSA-N -1 1 278.316 1.187 20 0 CDADMM CC[C@@H](C)[C@@H](C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825049860 609591097 /nfs/dbraw/zinc/59/10/97/609591097.db2.gz FVBZDESAPCVUJZ-HTQZYQBOSA-N -1 1 277.332 1.221 20 0 CDADMM CC[C@@H](C)[C@@H](C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825049860 609591098 /nfs/dbraw/zinc/59/10/98/609591098.db2.gz FVBZDESAPCVUJZ-HTQZYQBOSA-N -1 1 277.332 1.221 20 0 CDADMM O=C(NCC[C@@H](O)C1CC1)c1c([O-])cccc1F ZINC000890721109 617304789 /nfs/dbraw/zinc/30/47/89/617304789.db2.gz XEQQQGOLJBMLPM-SNVBAGLBSA-N -1 1 253.273 1.422 20 0 CDADMM Cc1cnc(C(=O)N[C@H]2COC[C@H]2C2CC2)c([O-])c1 ZINC000891049090 617356651 /nfs/dbraw/zinc/35/66/51/617356651.db2.gz MLFVLVWOBNTPLP-QWRGUYRKSA-N -1 1 262.309 1.250 20 0 CDADMM O=C(N[C@H]1COC[C@H]1C1CC1)c1ccc([O-])c(F)c1 ZINC000891051574 617356943 /nfs/dbraw/zinc/35/69/43/617356943.db2.gz VPYDDZMLYHHZAY-JQWIXIFHSA-N -1 1 265.284 1.686 20 0 CDADMM O=C(N[C@@H]1COC[C@@H]1C1CC1)c1ccc([O-])c(F)c1 ZINC000891051577 617356972 /nfs/dbraw/zinc/35/69/72/617356972.db2.gz VPYDDZMLYHHZAY-ZYHUDNBSSA-N -1 1 265.284 1.686 20 0 CDADMM CCNC(=O)[C@@H](C)[N-]c1nnc(Cc2ccccc2)o1 ZINC000891572841 617484313 /nfs/dbraw/zinc/48/43/13/617484313.db2.gz YQXONKJAYYIJIZ-SNVBAGLBSA-N -1 1 274.324 1.597 20 0 CDADMM C[C@@H]1C[C@H](C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CO1 ZINC000891616967 617506057 /nfs/dbraw/zinc/50/60/57/617506057.db2.gz CNBLXESTGOVBBD-BDAKNGLRSA-N -1 1 277.324 1.425 20 0 CDADMM COCc1nc(NCCCOC[C@@H]2CCOC2)cc(=O)[n-]1 ZINC000892649185 617560976 /nfs/dbraw/zinc/56/09/76/617560976.db2.gz WFPSZWDUCNAOAB-NSHDSACASA-N -1 1 297.355 1.184 20 0 CDADMM C[C@H]([N-]S(=O)(=O)c1ccc(F)nc1F)[C@H]1CCOC1 ZINC000866873992 617615329 /nfs/dbraw/zinc/61/53/29/617615329.db2.gz CUSOZWPIYFTDGV-YUMQZZPRSA-N -1 1 292.307 1.063 20 0 CDADMM CCCCCCO[C@@H](C)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000840595044 617616075 /nfs/dbraw/zinc/61/60/75/617616075.db2.gz HYROYDLYDHXBGT-JTQLQIEISA-N -1 1 285.344 1.137 20 0 CDADMM COCc1nc(N2CC[C@H](C)[C@H](OC)C2)cc(=O)[n-]1 ZINC000893388242 617772657 /nfs/dbraw/zinc/77/26/57/617772657.db2.gz JOIBTEZEVZDVCX-VHSXEESVSA-N -1 1 267.329 1.190 20 0 CDADMM COCc1nc(NCc2ccc([C@@H](C)O)cc2)cc(=O)[n-]1 ZINC000891969557 617904127 /nfs/dbraw/zinc/90/41/27/617904127.db2.gz OOSCEWWXRIUSPF-SNVBAGLBSA-N -1 1 289.335 1.994 20 0 CDADMM COCc1nc(NCCc2ccc3c[nH]nc3c2)cc(=O)[n-]1 ZINC000893736135 618006586 /nfs/dbraw/zinc/00/65/86/618006586.db2.gz VJPSYBLTSRPDFC-UHFFFAOYSA-N -1 1 299.334 1.860 20 0 CDADMM COCc1nc(NCc2ccc3cnn(C)c3c2)cc(=O)[n-]1 ZINC000893926196 618184131 /nfs/dbraw/zinc/18/41/31/618184131.db2.gz TUWXXMWAAUHNMX-UHFFFAOYSA-N -1 1 299.334 1.827 20 0 CDADMM CC(C)N(CC(=O)[O-])Cc1ccc(-c2cc[nH]n2)o1 ZINC000901977779 618404858 /nfs/dbraw/zinc/40/48/58/618404858.db2.gz SUEABIPCHQLDOE-UHFFFAOYSA-N -1 1 263.297 1.965 20 0 CDADMM CC(C)[C@H](C(=O)[O-])C(=O)N1CCN(C)CC12CCCCC2 ZINC000910685426 618427545 /nfs/dbraw/zinc/42/75/45/618427545.db2.gz AECXSOJFPSESBT-ZDUSSCGKSA-N -1 1 296.411 1.820 20 0 CDADMM O=C(c1ccc([O-])cc1F)N1CCC(=O)N2CCC[C@H]21 ZINC000888169600 620806466 /nfs/dbraw/zinc/80/64/66/620806466.db2.gz CWXKKILJOLEFDP-GFCCVEGCSA-N -1 1 278.283 1.326 20 0 CDADMM CC[C@@H](C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)N(C)C ZINC000910741844 618457893 /nfs/dbraw/zinc/45/78/93/618457893.db2.gz 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687821186 /nfs/dbraw/zinc/82/11/86/687821186.db2.gz KMSDGRYQUHTUQX-UHFFFAOYSA-N -1 1 263.297 1.194 20 0 CDADMM CCO[N-]C(=O)CNCc1ccc(CSC(F)F)o1 ZINC000846090586 687831613 /nfs/dbraw/zinc/83/16/13/687831613.db2.gz IMEDCFRJNVMARE-UHFFFAOYSA-N -1 1 294.323 1.893 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@H](O)c1cccc(F)c1 ZINC000820401791 687835959 /nfs/dbraw/zinc/83/59/59/687835959.db2.gz FHBHWNFGPAFYAQ-JTQLQIEISA-N -1 1 279.271 1.625 20 0 CDADMM O=C([N-]OCCC1CC1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000817426163 687861883 /nfs/dbraw/zinc/86/18/83/687861883.db2.gz VNMUIIVBHABSPL-GFCCVEGCSA-N -1 1 292.335 1.476 20 0 CDADMM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccns1 ZINC000885087103 687897001 /nfs/dbraw/zinc/89/70/01/687897001.db2.gz KATYINAQGHDSEM-BDAKNGLRSA-N -1 1 276.383 1.237 20 0 CDADMM O=S(=O)([N-]C[C@@H]1CCC=CO1)c1cc(F)ccc1F ZINC000780901772 687899539 /nfs/dbraw/zinc/89/95/39/687899539.db2.gz QUNSZDLJBXSDKC-JTQLQIEISA-N -1 1 289.303 1.936 20 0 CDADMM COCCN(C(=O)c1cncc([O-])c1)C1CCOCC1 ZINC000716453225 687996262 /nfs/dbraw/zinc/99/62/62/687996262.db2.gz OXZOEMSDWRUUTQ-UHFFFAOYSA-N -1 1 280.324 1.055 20 0 CDADMM CCCC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001071951763 688019417 /nfs/dbraw/zinc/01/94/17/688019417.db2.gz CXKIYLBZCISDPB-GHMZBOCLSA-N -1 1 291.351 1.164 20 0 CDADMM CO[C@@H]1CCOC[C@H]1NC(=O)c1cc(F)ccc1[O-] ZINC000725033801 688108952 /nfs/dbraw/zinc/10/89/52/688108952.db2.gz VRHFNLBFYUBYPL-ZYHUDNBSSA-N -1 1 269.272 1.065 20 0 CDADMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)C(=O)O1 ZINC000867269132 688122190 /nfs/dbraw/zinc/12/21/90/688122190.db2.gz HIHSXRQAPALVQD-NTSWFWBYSA-N -1 1 295.263 1.200 20 0 CDADMM CC(C)(F)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000812279434 688150133 /nfs/dbraw/zinc/15/01/33/688150133.db2.gz WPLCCJFVESXSEJ-MRVPVSSYSA-N -1 1 298.280 1.652 20 0 CDADMM CC(C)Cc1ccc(C(=O)[N-]N2CC(=O)N(C)C2=O)s1 ZINC000935186504 688154933 /nfs/dbraw/zinc/15/49/33/688154933.db2.gz FKPWIXKZCAEPDF-UHFFFAOYSA-N -1 1 295.364 1.485 20 0 CDADMM O=c1[n-]c2nc(=O)[nH]c(Nc3ccc(O)cc3)c2[nH]1 ZINC001170219617 1162302404 /nfs/dbraw/zinc/30/24/04/1162302404.db2.gz SEGKJKUMEJGBSL-UHFFFAOYSA-N -1 1 259.225 1.165 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2cccc3cnncc32)[n-]1 ZINC001170229737 1162318857 /nfs/dbraw/zinc/31/88/57/1162318857.db2.gz ZFAWHCRFTLEULQ-UHFFFAOYSA-N -1 1 279.263 1.745 20 0 CDADMM [O-]c1cnccc1CN1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001140281251 1158702478 /nfs/dbraw/zinc/70/24/78/1158702478.db2.gz ZLTJXQJTAYQPDX-QXEWZRGKSA-N -1 1 274.242 1.691 20 0 CDADMM CCCCC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001604161581 1163111332 /nfs/dbraw/zinc/11/13/32/1163111332.db2.gz RWRSZZOTGFDJKP-UHFFFAOYSA-N -1 1 266.330 1.130 20 0 CDADMM CCCCC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001604161581 1163111337 /nfs/dbraw/zinc/11/13/37/1163111337.db2.gz RWRSZZOTGFDJKP-UHFFFAOYSA-N -1 1 266.330 1.130 20 0 CDADMM CCCC[C@H](CCC)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001604163500 1163112089 /nfs/dbraw/zinc/11/20/89/1163112089.db2.gz PGWYUCQNWMJLDK-JTQLQIEISA-N -1 1 275.360 1.849 20 0 CDADMM CCN(CC1CC1)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604288770 1163143954 /nfs/dbraw/zinc/14/39/54/1163143954.db2.gz NCFLPDABBUXDJR-UHFFFAOYSA-N -1 1 261.285 1.332 20 0 CDADMM CCN(CC1CC1)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001604288770 1163143957 /nfs/dbraw/zinc/14/39/57/1163143957.db2.gz NCFLPDABBUXDJR-UHFFFAOYSA-N -1 1 261.285 1.332 20 0 CDADMM CCN(CC)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001604281632 1163141660 /nfs/dbraw/zinc/14/16/60/1163141660.db2.gz HQMUBEPFXZGBTJ-UHFFFAOYSA-N -1 1 251.315 1.410 20 0 CDADMM CCN(CC)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001604281632 1163141662 /nfs/dbraw/zinc/14/16/62/1163141662.db2.gz HQMUBEPFXZGBTJ-UHFFFAOYSA-N -1 1 251.315 1.410 20 0 CDADMM C[C@H](N[C@@H](C(=O)[O-])C1CC1)C(=O)NC1CCCCC1 ZINC001604320299 1163147358 /nfs/dbraw/zinc/14/73/58/1163147358.db2.gz XFTYEHSQCBMYGI-JOYOIKCWSA-N -1 1 268.357 1.277 20 0 CDADMM CCc1ccc2c(c1)CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001604528771 1163219694 /nfs/dbraw/zinc/21/96/94/1163219694.db2.gz XSTSQYGCZFGRQL-UHFFFAOYSA-N -1 1 293.334 1.913 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](C)CC[C@H]2C)n1 ZINC001604543964 1163224365 /nfs/dbraw/zinc/22/43/65/1163224365.db2.gz OCUSXPHZKURFBD-VHSXEESVSA-N -1 1 287.371 1.844 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](C)CC[C@H]2C)n1 ZINC001604543964 1163224370 /nfs/dbraw/zinc/22/43/70/1163224370.db2.gz OCUSXPHZKURFBD-VHSXEESVSA-N -1 1 287.371 1.844 20 0 CDADMM C[C@H]1[C@@H](C(=O)[O-])CCN1CN1Cc2ccc(F)cc2C1=O ZINC001604636483 1163259787 /nfs/dbraw/zinc/25/97/87/1163259787.db2.gz MFFAXTGERJPNRS-CABZTGNLSA-N -1 1 292.310 1.534 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=S)NCC1CCC1 ZINC001604793648 1163325796 /nfs/dbraw/zinc/32/57/96/1163325796.db2.gz CPUNLBYCXCNCLS-LLVKDONJSA-N -1 1 299.440 1.142 20 0 CDADMM COC(C)(C)CCn1c(C)c(C)nc1-c1nnn[n-]1 ZINC001604996077 1163408580 /nfs/dbraw/zinc/40/85/80/1163408580.db2.gz RPDYZTNCUBJBHO-UHFFFAOYSA-N -1 1 264.333 1.495 20 0 CDADMM COC(C)(C)CCn1c(C)c(C)nc1-c1nn[n-]n1 ZINC001604996077 1163408588 /nfs/dbraw/zinc/40/85/88/1163408588.db2.gz RPDYZTNCUBJBHO-UHFFFAOYSA-N -1 1 264.333 1.495 20 0 CDADMM COC1([C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)CCC1 ZINC001605017533 1163417339 /nfs/dbraw/zinc/41/73/39/1163417339.db2.gz ZXFZNPOJHZDOPC-SECBINFHSA-N -1 1 289.343 1.335 20 0 CDADMM COC1([C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)CCC1 ZINC001605017533 1163417341 /nfs/dbraw/zinc/41/73/41/1163417341.db2.gz ZXFZNPOJHZDOPC-SECBINFHSA-N -1 1 289.343 1.335 20 0 CDADMM CO[C@@H]1CC[C@@H](Nc2nc(-c3nn[n-]n3)ccc2C)C1 ZINC001605029040 1163423821 /nfs/dbraw/zinc/42/38/21/1163423821.db2.gz INACQJMPPOWZAV-NXEZZACHSA-N -1 1 274.328 1.550 20 0 CDADMM CO[C@H]1CCCN(c2cc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001605031127 1163425548 /nfs/dbraw/zinc/42/55/48/1163425548.db2.gz RHVLLKZASBUENU-JTQLQIEISA-N -1 1 274.328 1.185 20 0 CDADMM CO[C@H]1CCCN(c2cc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001605031127 1163425555 /nfs/dbraw/zinc/42/55/55/1163425555.db2.gz RHVLLKZASBUENU-JTQLQIEISA-N -1 1 274.328 1.185 20 0 CDADMM COC[C@@H](CNc1cc(C)nc(-c2nnn[n-]2)c1)C(C)C ZINC001605057033 1163435117 /nfs/dbraw/zinc/43/51/17/1163435117.db2.gz WGLQSKJKIMLTEK-LLVKDONJSA-N -1 1 290.371 1.901 20 0 CDADMM COC[C@@H](CNc1cc(C)nc(-c2nn[n-]n2)c1)C(C)C ZINC001605057033 1163435120 /nfs/dbraw/zinc/43/51/20/1163435120.db2.gz WGLQSKJKIMLTEK-LLVKDONJSA-N -1 1 290.371 1.901 20 0 CDADMM COc1ccc(CNc2ccc(C)c(-c3nnn[n-]3)n2)nc1 ZINC001605286317 1163515508 /nfs/dbraw/zinc/51/55/08/1163515508.db2.gz UXTYNVQGBKTZBZ-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1ccc(CNc2ccc(C)c(-c3nn[n-]n3)n2)nc1 ZINC001605286317 1163515512 /nfs/dbraw/zinc/51/55/12/1163515512.db2.gz UXTYNVQGBKTZBZ-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@@H](C)CC(C)C)nn1C ZINC001605464696 1163573665 /nfs/dbraw/zinc/57/36/65/1163573665.db2.gz LEKQHWBLZWIPGW-QMMMGPOBSA-N -1 1 291.359 1.529 20 0 CDADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@@H](C)CC(C)C)nn1C ZINC001605464696 1163573669 /nfs/dbraw/zinc/57/36/69/1163573669.db2.gz LEKQHWBLZWIPGW-QMMMGPOBSA-N -1 1 291.359 1.529 20 0 CDADMM CCN1C[C@H](C)N(C(=O)NCC(C)(C)CC(=O)[O-])C[C@@H]1C ZINC001605466702 1163574881 /nfs/dbraw/zinc/57/48/81/1163574881.db2.gz ZIYUNDATZSUCIK-RYUDHWBXSA-N -1 1 299.415 1.611 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CC23CCC3)n1 ZINC001605572001 1163612893 /nfs/dbraw/zinc/61/28/93/1163612893.db2.gz BHGGQCVPZWFCGW-SECBINFHSA-N -1 1 257.301 1.320 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CC23CCC3)n1 ZINC001605572001 1163612897 /nfs/dbraw/zinc/61/28/97/1163612897.db2.gz BHGGQCVPZWFCGW-SECBINFHSA-N -1 1 257.301 1.320 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC001605803042 1163676646 /nfs/dbraw/zinc/67/66/46/1163676646.db2.gz WNYIXHLNCVGDAC-IAZYJMLFSA-N -1 1 288.355 1.023 20 0 CDADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCO[C@@H](C(C)C)C1 ZINC001605803116 1163677052 /nfs/dbraw/zinc/67/70/52/1163677052.db2.gz XJSUAZWVIXHRHP-GFCCVEGCSA-N -1 1 288.355 1.431 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCO[C@@H](C(C)C)C1 ZINC001605803116 1163677054 /nfs/dbraw/zinc/67/70/54/1163677054.db2.gz XJSUAZWVIXHRHP-GFCCVEGCSA-N -1 1 288.355 1.431 20 0 CDADMM CCc1nc(CNCc2ccc(C=CC(=O)[O-])o2)n[nH]1 ZINC001605850518 1163690359 /nfs/dbraw/zinc/69/03/59/1163690359.db2.gz OQRGGDBCUCAMFY-WAYWQWQTSA-N -1 1 276.296 1.348 20 0 CDADMM CCc1nc[nH]c1C(=O)Nc1nc(CC)c(C(=O)[O-])s1 ZINC001605860292 1163693874 /nfs/dbraw/zinc/69/38/74/1163693874.db2.gz MPRZQBFKEWXJNB-UHFFFAOYSA-N -1 1 294.336 1.942 20 0 CDADMM Cc1ccc(NCCc2ccncc2)nc1-c1nnn[n-]1 ZINC001605874769 1163702477 /nfs/dbraw/zinc/70/24/77/1163702477.db2.gz QOWNHYGIWNBPGQ-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1ccc(NCCc2ccncc2)nc1-c1nn[n-]n1 ZINC001605874769 1163702479 /nfs/dbraw/zinc/70/24/79/1163702479.db2.gz QOWNHYGIWNBPGQ-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1noc(C)c1CCNc1ccc(C)nc1-c1nnn[n-]1 ZINC001605874900 1163703313 /nfs/dbraw/zinc/70/33/13/1163703313.db2.gz TZZIDUQBFDJHBG-UHFFFAOYSA-N -1 1 299.338 1.830 20 0 CDADMM Cc1noc(C)c1CCNc1ccc(C)nc1-c1nn[n-]n1 ZINC001605874900 1163703317 /nfs/dbraw/zinc/70/33/17/1163703317.db2.gz TZZIDUQBFDJHBG-UHFFFAOYSA-N -1 1 299.338 1.830 20 0 CDADMM CCc1oc(CN[C@@H]2CC=C(C(=O)OC)C2)cc1C(=O)[O-] ZINC001605892527 1163710404 /nfs/dbraw/zinc/71/04/04/1163710404.db2.gz SMSNWFIHSVJLQK-SNVBAGLBSA-N -1 1 293.319 1.892 20 0 CDADMM Cc1ccccc1OCCNc1ncncc1-c1nn[n-]n1 ZINC001605943321 1163720104 /nfs/dbraw/zinc/72/01/04/1163720104.db2.gz TUSMWXLJLCEZLS-UHFFFAOYSA-N -1 1 297.322 1.456 20 0 CDADMM Cc1[nH]nc(NCc2ccc3c(c2)CCC3)c1-c1nnn[n-]1 ZINC001606013554 1163744150 /nfs/dbraw/zinc/74/41/50/1163744150.db2.gz BENSTVVKYNNCJS-UHFFFAOYSA-N -1 1 295.350 1.999 20 0 CDADMM Cc1[nH]nc(NCc2ccc3c(c2)CCC3)c1-c1nn[n-]n1 ZINC001606013554 1163744156 /nfs/dbraw/zinc/74/41/56/1163744156.db2.gz BENSTVVKYNNCJS-UHFFFAOYSA-N -1 1 295.350 1.999 20 0 CDADMM Cc1nc(NC[C@@H](C)CC(F)F)cc(-c2nnn[n-]2)n1 ZINC001606067514 1163760907 /nfs/dbraw/zinc/76/09/07/1163760907.db2.gz OGKVKVZXLJVMAD-LURJTMIESA-N -1 1 283.286 1.668 20 0 CDADMM Cc1nc(NC[C@@H](C)CC(F)F)cc(-c2nn[n-]n2)n1 ZINC001606067514 1163760911 /nfs/dbraw/zinc/76/09/11/1163760911.db2.gz OGKVKVZXLJVMAD-LURJTMIESA-N -1 1 283.286 1.668 20 0 CDADMM Cc1noc(C)c1[C@H](C)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001606129211 1163780716 /nfs/dbraw/zinc/78/07/16/1163780716.db2.gz HPTOJZIGBALJPM-LURJTMIESA-N -1 1 286.299 1.435 20 0 CDADMM Cc1noc(C)c1[C@H](C)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001606129211 1163780722 /nfs/dbraw/zinc/78/07/22/1163780722.db2.gz HPTOJZIGBALJPM-LURJTMIESA-N -1 1 286.299 1.435 20 0 CDADMM FC(F)(F)C1(CNc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001606288370 1163837584 /nfs/dbraw/zinc/83/75/84/1163837584.db2.gz KSKUKVGCXBUMAH-UHFFFAOYSA-N -1 1 284.245 1.438 20 0 CDADMM FC(F)(F)C1(CNc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001606288370 1163837593 /nfs/dbraw/zinc/83/75/93/1163837593.db2.gz KSKUKVGCXBUMAH-UHFFFAOYSA-N -1 1 284.245 1.438 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@@H]2CCCC[C@@H]21 ZINC001607033153 1164064454 /nfs/dbraw/zinc/06/44/54/1164064454.db2.gz RBPHTVBHNCDBSM-ONGXEEELSA-N -1 1 287.323 1.864 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@@H]2CCCC[C@@H]21 ZINC001607033153 1164064460 /nfs/dbraw/zinc/06/44/60/1164064460.db2.gz RBPHTVBHNCDBSM-ONGXEEELSA-N -1 1 287.323 1.864 20 0 CDADMM O=c1c(-c2nn[n-]n2)cncn1C/C=C\c1ccccc1 ZINC001607089678 1164073883 /nfs/dbraw/zinc/07/38/83/1164073883.db2.gz HNYGUTYHFKUNCA-DAXSKMNVSA-N -1 1 280.291 1.137 20 0 CDADMM O[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CCCCC1 ZINC001607098244 1164079388 /nfs/dbraw/zinc/07/93/88/1164079388.db2.gz WBICXNBPGJBCKA-NSHDSACASA-N -1 1 289.343 1.010 20 0 CDADMM O[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001607098244 1164079396 /nfs/dbraw/zinc/07/93/96/1164079396.db2.gz WBICXNBPGJBCKA-NSHDSACASA-N -1 1 289.343 1.010 20 0 CDADMM OCCC1(CNc2ccnc(-c3nnn[n-]3)c2)CCCC1 ZINC001607106568 1164086122 /nfs/dbraw/zinc/08/61/22/1164086122.db2.gz YGMCQBBXBRGUFI-UHFFFAOYSA-N -1 1 288.355 1.038 20 0 CDADMM OCCC1(CNc2ccnc(-c3nn[n-]n3)c2)CCCC1 ZINC001607106568 1164086126 /nfs/dbraw/zinc/08/61/26/1164086126.db2.gz YGMCQBBXBRGUFI-UHFFFAOYSA-N -1 1 288.355 1.038 20 0 CDADMM c1cc(NC[C@H]2CC[C@H](C3CC3)O2)nc(-c2nnn[n-]2)c1 ZINC001607121608 1164103317 /nfs/dbraw/zinc/10/33/17/1164103317.db2.gz QWYIWVLLUUWJQW-ZYHUDNBSSA-N -1 1 286.339 1.631 20 0 CDADMM c1cc(NC[C@H]2CC[C@H](C3CC3)O2)nc(-c2nn[n-]n2)c1 ZINC001607121608 1164103318 /nfs/dbraw/zinc/10/33/18/1164103318.db2.gz QWYIWVLLUUWJQW-ZYHUDNBSSA-N -1 1 286.339 1.631 20 0 CDADMM c1cc(Nc2ccc3c(c2)CCCO3)nc(-c2nn[n-]n2)n1 ZINC001607121705 1164106158 /nfs/dbraw/zinc/10/61/58/1164106158.db2.gz OFMCHTDVVMRHRQ-UHFFFAOYSA-N -1 1 295.306 1.147 20 0 CDADMM c1ccc2c(c1)CC(CNc1ccnc(-c3nnn[n-]3)c1)C2 ZINC001607132115 1164110044 /nfs/dbraw/zinc/11/00/44/1164110044.db2.gz XLJQNYHQPKAAEA-UHFFFAOYSA-N -1 1 292.346 1.511 20 0 CDADMM c1ccc2c(c1)CC(CNc1ccnc(-c3nn[n-]n3)c1)C2 ZINC001607132115 1164110046 /nfs/dbraw/zinc/11/00/46/1164110046.db2.gz XLJQNYHQPKAAEA-UHFFFAOYSA-N -1 1 292.346 1.511 20 0 CDADMM c1coc(-c2noc(Cc3ccc(-c4nnn[n-]4)nc3)n2)c1 ZINC001607135369 1164114334 /nfs/dbraw/zinc/11/43/34/1164114334.db2.gz AHTRMSVHJKEMJF-UHFFFAOYSA-N -1 1 295.262 1.496 20 0 CDADMM c1coc(-c2noc(Cc3ccc(-c4nn[n-]n4)nc3)n2)c1 ZINC001607135369 1164114340 /nfs/dbraw/zinc/11/43/40/1164114340.db2.gz AHTRMSVHJKEMJF-UHFFFAOYSA-N -1 1 295.262 1.496 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CC[C@@H]3CCC[C@@H]32)n1 ZINC001607136726 1164117211 /nfs/dbraw/zinc/11/72/11/1164117211.db2.gz QQJSGWULJCECOT-WPRPVWTQSA-N -1 1 257.301 1.036 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CC[C@@H]3CCC[C@@H]32)n1 ZINC001607136726 1164117206 /nfs/dbraw/zinc/11/72/06/1164117206.db2.gz QQJSGWULJCECOT-WPRPVWTQSA-N -1 1 257.301 1.036 20 0 CDADMM Cc1[nH]c(CNC2(CF)CCOCC2)cc1C(=O)[O-] ZINC001607496837 1164208329 /nfs/dbraw/zinc/20/83/29/1164208329.db2.gz JLOZWFFSBTWXIL-UHFFFAOYSA-N -1 1 270.304 1.630 20 0 CDADMM NC(=O)c1ccc(Nc2[nH]c(=S)[n-]c(=O)c2N=O)cc1 ZINC001174048277 1164298971 /nfs/dbraw/zinc/29/89/71/1164298971.db2.gz HTSFZSZRSAPCBJ-UHFFFAOYSA-N -1 1 291.292 1.711 20 0 CDADMM Cc1cccc(CN(C)C[C@@H]2[C@H](C(=O)[O-])C2(F)F)n1 ZINC001607851275 1164312679 /nfs/dbraw/zinc/31/26/79/1164312679.db2.gz PGJOZJBQTRTSJM-GHMZBOCLSA-N -1 1 270.279 1.788 20 0 CDADMM O=C(N=c1cc[nH][nH]1)c1cnc2c(Cl)cccc2c1[O-] ZINC000342087253 1164328557 /nfs/dbraw/zinc/32/85/57/1164328557.db2.gz AVGKEHIJLOGKOT-UHFFFAOYSA-N -1 1 288.694 1.579 20 0 CDADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1ccc[nH]1 ZINC000346095678 1164342596 /nfs/dbraw/zinc/34/25/96/1164342596.db2.gz AQJZIJJMDCMNRZ-UHFFFAOYSA-N -1 1 284.279 1.359 20 0 CDADMM Cc1noc([C@H](NCCCCC(=O)[O-])C(C)C)n1 ZINC001608024441 1164381574 /nfs/dbraw/zinc/38/15/74/1164381574.db2.gz ZIVRMHSSDKEIKI-LLVKDONJSA-N -1 1 255.318 1.920 20 0 CDADMM Cn1nc(C(=O)[O-])cc1NC(=O)c1cccc2nc[nH]c21 ZINC001608145037 1164424379 /nfs/dbraw/zinc/42/43/79/1164424379.db2.gz MOGLUOWIHVENBD-UHFFFAOYSA-N -1 1 285.263 1.247 20 0 CDADMM O=C([O-])C1(CNC(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC001608425885 1164514228 /nfs/dbraw/zinc/51/42/28/1164514228.db2.gz AUBQQMSZJDNORB-UHFFFAOYSA-N -1 1 286.291 1.066 20 0 CDADMM O=C([O-])[C@@H](c1ccccc1)N1CCc2ncncc2C1 ZINC001608562664 1164547066 /nfs/dbraw/zinc/54/70/66/1164547066.db2.gz WSELLAGIYGAQBP-CQSZACIVSA-N -1 1 269.304 1.661 20 0 CDADMM O=C([O-])C[C@H](NCc1nc(CC(F)(F)F)no1)C1CC1 ZINC001608674144 1164598547 /nfs/dbraw/zinc/59/85/47/1164598547.db2.gz OIKILQYFHJDYKW-ZETCQYMHSA-N -1 1 293.245 1.517 20 0 CDADMM O=C([O-])CCc1ccccc1C(=O)NCCN1CC=CC1 ZINC001608740601 1164624500 /nfs/dbraw/zinc/62/45/00/1164624500.db2.gz HNVMWWHUKSWEFZ-UHFFFAOYSA-N -1 1 288.347 1.305 20 0 CDADMM O=C([O-])CN(C(=O)[C@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC001608742796 1164625617 /nfs/dbraw/zinc/62/56/17/1164625617.db2.gz COZQYZLJQQUVCE-NSHDSACASA-N -1 1 299.330 1.632 20 0 CDADMM O=C([O-])c1ccc(CNC2(C(=O)Nc3ccccc3)CC2)[nH]1 ZINC001608885436 1164675869 /nfs/dbraw/zinc/67/58/69/1164675869.db2.gz IAWVUUXQYJVQJK-UHFFFAOYSA-N -1 1 299.330 1.974 20 0 CDADMM O=C([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]2CO)c1 ZINC001608892188 1164678715 /nfs/dbraw/zinc/67/87/15/1164678715.db2.gz GRLWZLSAHPEURN-LLVKDONJSA-N -1 1 269.728 1.995 20 0 CDADMM O=C([O-])c1ccc(Cl)c(CN2CCC[C@@H]2CO)c1 ZINC001608892188 1164678718 /nfs/dbraw/zinc/67/87/18/1164678718.db2.gz GRLWZLSAHPEURN-LLVKDONJSA-N -1 1 269.728 1.995 20 0 CDADMM O=C([O-])c1ccc2c(c1)OCCN(CCc1cnccn1)C2 ZINC001608925676 1164684021 /nfs/dbraw/zinc/68/40/21/1164684021.db2.gz RDRLLFWLWPMISB-UHFFFAOYSA-N -1 1 299.330 1.612 20 0 CDADMM O=C([O-])c1cnoc1CN1CCC2(CCCC2=O)CC1 ZINC001608984219 1164705527 /nfs/dbraw/zinc/70/55/27/1164705527.db2.gz BBTBFLHFVOFMSF-UHFFFAOYSA-N -1 1 278.308 1.708 20 0 CDADMM CC(C)[C@@H](C)Sc1cnc(-c2nnn[n-]2)cn1 ZINC001609086639 1164761920 /nfs/dbraw/zinc/76/19/20/1164761920.db2.gz BWXXMYFEYGIDTP-SSDOTTSWSA-N -1 1 250.331 1.793 20 0 CDADMM CC(C)[C@@H](C)Sc1cnc(-c2nn[n-]n2)cn1 ZINC001609086639 1164761927 /nfs/dbraw/zinc/76/19/27/1164761927.db2.gz BWXXMYFEYGIDTP-SSDOTTSWSA-N -1 1 250.331 1.793 20 0 CDADMM CC(C)C1(O)CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001609091272 1164764773 /nfs/dbraw/zinc/76/47/73/1164764773.db2.gz NDIKCPDZRGQHPP-UHFFFAOYSA-N -1 1 294.746 1.122 20 0 CDADMM CC(C)C1(O)CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001609091272 1164764777 /nfs/dbraw/zinc/76/47/77/1164764777.db2.gz NDIKCPDZRGQHPP-UHFFFAOYSA-N -1 1 294.746 1.122 20 0 CDADMM CC(C)[C@H]1CCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609092134 1164767647 /nfs/dbraw/zinc/76/76/47/1164767647.db2.gz XQIPHWANYPWHOT-LLVKDONJSA-N -1 1 272.312 1.132 20 0 CDADMM CC(C)[C@H]1CCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609092134 1164767656 /nfs/dbraw/zinc/76/76/56/1164767656.db2.gz XQIPHWANYPWHOT-LLVKDONJSA-N -1 1 272.312 1.132 20 0 CDADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)[C@H](O)c1ccccc1 ZINC001609126988 1164782276 /nfs/dbraw/zinc/78/22/76/1164782276.db2.gz QMGRVJHFCNCFGG-YGRLFVJLSA-N -1 1 296.334 1.796 20 0 CDADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)[C@H](O)c1ccccc1 ZINC001609126988 1164782280 /nfs/dbraw/zinc/78/22/80/1164782280.db2.gz QMGRVJHFCNCFGG-YGRLFVJLSA-N -1 1 296.334 1.796 20 0 CDADMM C[C@H]1C[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CO1 ZINC001609157308 1164801567 /nfs/dbraw/zinc/80/15/67/1164801567.db2.gz IMPBPQOINQNJCR-CRCLSJGQSA-N -1 1 286.748 1.566 20 0 CDADMM C[C@H]1C[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CO1 ZINC001609157308 1164801570 /nfs/dbraw/zinc/80/15/70/1164801570.db2.gz IMPBPQOINQNJCR-CRCLSJGQSA-N -1 1 286.748 1.566 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)[C@H](C)[C@H](C)O1 ZINC001609171563 1164813257 /nfs/dbraw/zinc/81/32/57/1164813257.db2.gz IGVUSGKPWWHHCK-HLTSFMKQSA-N -1 1 291.311 1.098 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)[C@H](C)[C@H](C)O1 ZINC001609171563 1164813263 /nfs/dbraw/zinc/81/32/63/1164813263.db2.gz IGVUSGKPWWHHCK-HLTSFMKQSA-N -1 1 291.311 1.098 20 0 CDADMM CC[C@@]1(C)CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001609196621 1164836045 /nfs/dbraw/zinc/83/60/45/1164836045.db2.gz UITOJSBMKSVOIS-AWEZNQCLSA-N -1 1 287.371 1.982 20 0 CDADMM CC[C@@]1(C)CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001609196621 1164836052 /nfs/dbraw/zinc/83/60/52/1164836052.db2.gz UITOJSBMKSVOIS-AWEZNQCLSA-N -1 1 287.371 1.982 20 0 CDADMM CCC1(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001609198331 1164838124 /nfs/dbraw/zinc/83/81/24/1164838124.db2.gz UPFACXANENQSSX-UHFFFAOYSA-N -1 1 286.339 1.714 20 0 CDADMM CCC1(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001609198331 1164838131 /nfs/dbraw/zinc/83/81/31/1164838131.db2.gz UPFACXANENQSSX-UHFFFAOYSA-N -1 1 286.339 1.714 20 0 CDADMM CCON(C(=O)c1ccc(-c2nn[n-]n2)o1)C(C)C ZINC001609241634 1164864837 /nfs/dbraw/zinc/86/48/37/1164864837.db2.gz JXIPRJCMTBXBDT-UHFFFAOYSA-N -1 1 265.273 1.262 20 0 CDADMM COCCCCCNc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001609322926 1164902247 /nfs/dbraw/zinc/90/22/47/1164902247.db2.gz SFBCIMZCAGRCSL-UHFFFAOYSA-N -1 1 276.344 1.799 20 0 CDADMM COCCCCCNc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001609322926 1164902252 /nfs/dbraw/zinc/90/22/52/1164902252.db2.gz SFBCIMZCAGRCSL-UHFFFAOYSA-N -1 1 276.344 1.799 20 0 CDADMM COCc1ccc(Nc2nccnc2-c2nnn[n-]2)cc1 ZINC001609331139 1164904769 /nfs/dbraw/zinc/90/47/69/1164904769.db2.gz OCVSLEHUAIHSBX-UHFFFAOYSA-N -1 1 283.295 1.547 20 0 CDADMM COCc1ccc(Nc2nccnc2-c2nn[n-]n2)cc1 ZINC001609331139 1164904776 /nfs/dbraw/zinc/90/47/76/1164904776.db2.gz OCVSLEHUAIHSBX-UHFFFAOYSA-N -1 1 283.295 1.547 20 0 CDADMM Cc1cc(NC[C@]2(C)CCCO2)cc(-c2nnn[n-]2)n1 ZINC001609409570 1164934032 /nfs/dbraw/zinc/93/40/32/1164934032.db2.gz OIBHFARFUSEMFP-ZDUSSCGKSA-N -1 1 274.328 1.551 20 0 CDADMM Cc1cc(NC[C@]2(C)CCCO2)cc(-c2nn[n-]n2)n1 ZINC001609409570 1164934034 /nfs/dbraw/zinc/93/40/34/1164934034.db2.gz OIBHFARFUSEMFP-ZDUSSCGKSA-N -1 1 274.328 1.551 20 0 CDADMM Cc1cnccc1C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001609440972 1164947206 /nfs/dbraw/zinc/94/72/06/1164947206.db2.gz UWBJAVQUMZPKRZ-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1cnccc1C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001609440972 1164947210 /nfs/dbraw/zinc/94/72/10/1164947210.db2.gz UWBJAVQUMZPKRZ-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1ccncc1CNc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001609439244 1164947405 /nfs/dbraw/zinc/94/74/05/1164947405.db2.gz TYKDHYYCRBPKLV-UHFFFAOYSA-N -1 1 296.338 1.783 20 0 CDADMM Cc1ccncc1CNc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001609439244 1164947410 /nfs/dbraw/zinc/94/74/10/1164947410.db2.gz TYKDHYYCRBPKLV-UHFFFAOYSA-N -1 1 296.338 1.783 20 0 CDADMM FC1(F)CCCC[C@@H]1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001609486734 1164969691 /nfs/dbraw/zinc/96/96/91/1164969691.db2.gz YPAIHQWOFXGXRX-SECBINFHSA-N -1 1 294.309 1.921 20 0 CDADMM FC1(F)CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001609486734 1164969696 /nfs/dbraw/zinc/96/96/96/1164969696.db2.gz YPAIHQWOFXGXRX-SECBINFHSA-N -1 1 294.309 1.921 20 0 CDADMM Fc1cccc2c1CCN(c1ccnc(-c3nnn[n-]3)c1)C2 ZINC001609492344 1164974097 /nfs/dbraw/zinc/97/40/97/1164974097.db2.gz XSRPFTGGYLUZIV-UHFFFAOYSA-N -1 1 296.309 1.964 20 0 CDADMM Fc1cccc2c1CCN(c1ccnc(-c3nn[n-]n3)c1)C2 ZINC001609492344 1164974102 /nfs/dbraw/zinc/97/41/02/1164974102.db2.gz XSRPFTGGYLUZIV-UHFFFAOYSA-N -1 1 296.309 1.964 20 0 CDADMM O=C(OCCc1cccnc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609575121 1164994246 /nfs/dbraw/zinc/99/42/46/1164994246.db2.gz RSEGCTAQBVHBFD-UHFFFAOYSA-N -1 1 296.290 1.056 20 0 CDADMM O=C(OCCc1cccnc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609575121 1164994253 /nfs/dbraw/zinc/99/42/53/1164994253.db2.gz RSEGCTAQBVHBFD-UHFFFAOYSA-N -1 1 296.290 1.056 20 0 CDADMM O=C(Oc1ccc(F)nc1-c1nn[n-]n1)OC1CCCC1 ZINC001609579326 1164996603 /nfs/dbraw/zinc/99/66/03/1164996603.db2.gz PYXXTVQXNAQKQH-UHFFFAOYSA-N -1 1 293.258 1.859 20 0 CDADMM Oc1cccc2c1CC[C@H]2Nc1cnc(-c2nnn[n-]2)cn1 ZINC001609611533 1165007878 /nfs/dbraw/zinc/00/78/78/1165007878.db2.gz IFLOAWWSDDTMPR-SNVBAGLBSA-N -1 1 295.306 1.462 20 0 CDADMM Oc1cccc2c1CC[C@H]2Nc1cnc(-c2nn[n-]n2)cn1 ZINC001609611533 1165007881 /nfs/dbraw/zinc/00/78/81/1165007881.db2.gz IFLOAWWSDDTMPR-SNVBAGLBSA-N -1 1 295.306 1.462 20 0 CDADMM c1cc(N2CCOC3(CCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001609614933 1165010857 /nfs/dbraw/zinc/01/08/57/1165010857.db2.gz XSQXZDGYFUOSJP-UHFFFAOYSA-N -1 1 272.312 1.021 20 0 CDADMM c1cc(N2CCOC3(CCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001609614933 1165010862 /nfs/dbraw/zinc/01/08/62/1165010862.db2.gz XSQXZDGYFUOSJP-UHFFFAOYSA-N -1 1 272.312 1.021 20 0 CDADMM C[C@@H]1c2cc(F)cc(F)c2CCN1C[C@@](C)(O)C(=O)[O-] ZINC001609886134 1165130396 /nfs/dbraw/zinc/13/03/96/1165130396.db2.gz UFMBLUBGJMDSEF-XLKFXECMSA-N -1 1 285.290 1.720 20 0 CDADMM C[C@H]1c2cc(F)cc(F)c2CCN1C[C@](C)(O)C(=O)[O-] ZINC001609886133 1165130852 /nfs/dbraw/zinc/13/08/52/1165130852.db2.gz UFMBLUBGJMDSEF-RTHLEPHNSA-N -1 1 285.290 1.720 20 0 CDADMM CCc1cc(=O)[n-]c(C[N@H+](C)C(C)(C)CC(=O)[O-])n1 ZINC001610059953 1165199355 /nfs/dbraw/zinc/19/93/55/1165199355.db2.gz JNARTSOVQNFCOV-UHFFFAOYSA-N -1 1 267.329 1.430 20 0 CDADMM CCc1cc(=O)[n-]c(C[N@@H+](C)C(C)(C)CC(=O)[O-])n1 ZINC001610059953 1165199360 /nfs/dbraw/zinc/19/93/60/1165199360.db2.gz JNARTSOVQNFCOV-UHFFFAOYSA-N -1 1 267.329 1.430 20 0 CDADMM CN(C(=O)c1ccc2cncn2c1)C1(C(=O)[O-])CCCC1 ZINC001610095535 1165214486 /nfs/dbraw/zinc/21/44/86/1165214486.db2.gz SCKBHKJMLKYBGW-UHFFFAOYSA-N -1 1 287.319 1.804 20 0 CDADMM COC[C@@H](NC[C@H]1CC(C(=O)[O-])=C(C)O1)c1ccco1 ZINC001610251372 1165273499 /nfs/dbraw/zinc/27/34/99/1165273499.db2.gz WCOLJIAQICGYPX-ZYHUDNBSSA-N -1 1 281.308 1.704 20 0 CDADMM COc1ccnc(CN2CCSC[C@@H](C(=O)[O-])C2)c1 ZINC001610369005 1165295996 /nfs/dbraw/zinc/29/59/96/1165295996.db2.gz IGXGPTYJGZKBFC-JTQLQIEISA-N -1 1 282.365 1.340 20 0 CDADMM Cc1ccc2cc(CN3C[C@@H](O)C[C@@H]3C(=O)[O-])ccc2n1 ZINC001610515989 1165335560 /nfs/dbraw/zinc/33/55/60/1165335560.db2.gz XVNZFZPKHOHTKX-DZGCQCFKSA-N -1 1 286.331 1.563 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)C3=COCCO3)[nH]c21 ZINC001610713014 1165411649 /nfs/dbraw/zinc/41/16/49/1165411649.db2.gz UDAMTMQFGDKECM-UHFFFAOYSA-N -1 1 289.247 1.088 20 0 CDADMM O=C([O-])[C@@H]1CC(=O)N(CN2CCC3(C2)CCCCC3)C1 ZINC001610734820 1165422367 /nfs/dbraw/zinc/42/23/67/1165422367.db2.gz LSRPXPKXKRUORZ-GFCCVEGCSA-N -1 1 280.368 1.533 20 0 CDADMM O=C([O-])[C@@H]1CN(CN2CCCC3(CCCC3)C2)C(=O)O1 ZINC001610802455 1165446650 /nfs/dbraw/zinc/44/66/50/1165446650.db2.gz IVDYXARLVCZUDT-NSHDSACASA-N -1 1 282.340 1.506 20 0 CDADMM O=C([O-])c1ccc(CNC(=O)c2cccc3nc[nH]c32)o1 ZINC001610827577 1165456496 /nfs/dbraw/zinc/45/64/96/1165456496.db2.gz YIHLGZBLKNAMNG-UHFFFAOYSA-N -1 1 285.259 1.784 20 0 CDADMM CCC[C@@H](NC(=O)c1cccc2ncn(C)c21)c1nn[n-]n1 ZINC001621661361 1165705452 /nfs/dbraw/zinc/70/54/52/1165705452.db2.gz QUMCRJDCAWHBDO-LLVKDONJSA-N -1 1 299.338 1.358 20 0 CDADMM CCC[C@H](NC(=O)c1ccnc2ccncc21)c1nn[n-]n1 ZINC001621661878 1165706365 /nfs/dbraw/zinc/70/63/65/1165706365.db2.gz ZKGATDPKUMXQLK-LBPRGKRZSA-N -1 1 297.322 1.414 20 0 CDADMM O=C(Cc1ccc([O-])c(Cl)c1)NCc1ccon1 ZINC001137117296 1166007216 /nfs/dbraw/zinc/00/72/16/1166007216.db2.gz JLGJIRKUNVOOFG-UHFFFAOYSA-N -1 1 266.684 1.893 20 0 CDADMM O=C(C[C@H](c1ncc[nH]1)c1ccccc1)Nc1nnn[n-]1 ZINC001629821876 1166166863 /nfs/dbraw/zinc/16/68/63/1166166863.db2.gz HEYBJJIYQFGLFU-JTQLQIEISA-N -1 1 283.295 1.084 20 0 CDADMM O=C(C[C@H](c1ncc[nH]1)c1ccccc1)Nc1nn[n-]n1 ZINC001629821876 1166166868 /nfs/dbraw/zinc/16/68/68/1166166868.db2.gz HEYBJJIYQFGLFU-JTQLQIEISA-N -1 1 283.295 1.084 20 0 CDADMM CCc1nc(NC(=O)c2ncc3ccccc3c2[O-])n[nH]1 ZINC001631174380 1166257394 /nfs/dbraw/zinc/25/73/94/1166257394.db2.gz KLWBBEAZQALWQH-UHFFFAOYSA-N -1 1 283.291 1.873 20 0 CDADMM CCc1n[nH]c(NC(=O)c2ncc3ccccc3c2[O-])n1 ZINC001631174380 1166257409 /nfs/dbraw/zinc/25/74/09/1166257409.db2.gz KLWBBEAZQALWQH-UHFFFAOYSA-N -1 1 283.291 1.873 20 0 CDADMM Cc1cc2ccc(C(=O)N(C)c3nn[n-]n3)cn2c1 ZINC001634121664 1166472357 /nfs/dbraw/zinc/47/23/57/1166472357.db2.gz SWNYFLUHCXYAKF-UHFFFAOYSA-N -1 1 256.269 1.037 20 0 CDADMM COC(=O)c1cc(C(=O)[N-]c2cccc3nccnc23)on1 ZINC001636080301 1166651076 /nfs/dbraw/zinc/65/10/76/1166651076.db2.gz YXCFPMMHRKXTSE-UHFFFAOYSA-N -1 1 298.258 1.657 20 0 CDADMM O=C(N[C@@H](CCO)c1ccco1)c1cccc([O-])c1F ZINC001412048159 1166723267 /nfs/dbraw/zinc/72/32/67/1166723267.db2.gz DOEHEBZDDGPHTD-JTQLQIEISA-N -1 1 279.267 1.978 20 0 CDADMM O=C(CCCc1nn[n-]n1)Nc1cc(-c2ccccc2)on1 ZINC001638356233 1166839629 /nfs/dbraw/zinc/83/96/29/1166839629.db2.gz VOSWYAOWWVLBLV-UHFFFAOYSA-N -1 1 298.306 1.816 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)C1=Cc2ccccc2OC1 ZINC001638735286 1166868288 /nfs/dbraw/zinc/86/82/88/1166868288.db2.gz BISLQBAEGHHPCO-UHFFFAOYSA-N -1 1 257.249 1.530 20 0 CDADMM COc1ccc2cc(C(=O)N(C)c3nn[n-]n3)ccc2c1 ZINC001641462098 1167110051 /nfs/dbraw/zinc/11/00/51/1167110051.db2.gz KFSBTKAEAAEYHR-UHFFFAOYSA-N -1 1 283.291 1.638 20 0 CDADMM O=C(Cc1ccc2c(c1)OCO2)Nc1c[n-][nH]c1=O ZINC001641597880 1167122424 /nfs/dbraw/zinc/12/24/24/1167122424.db2.gz ANKHTNZMLCCXGE-UHFFFAOYSA-N -1 1 261.237 1.025 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2cc(CC3CC3)[nH]n2)c1[O-] ZINC001643151656 1167229295 /nfs/dbraw/zinc/22/92/95/1167229295.db2.gz PILCNZKCCKJVDN-UHFFFAOYSA-N -1 1 261.285 1.352 20 0 CDADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC[C@H](n2cccn2)C1 ZINC001647419481 1168672410 /nfs/dbraw/zinc/67/24/10/1168672410.db2.gz SHKUKCLPYRQKDF-NSHDSACASA-N -1 1 299.334 1.343 20 0 CDADMM CN1CCCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccncc1 ZINC001647425572 1168677931 /nfs/dbraw/zinc/67/79/31/1168677931.db2.gz SDYGPKHSSGOQKG-STQMWFEESA-N -1 1 291.351 1.198 20 0 CDADMM CC[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001649333045 1169209306 /nfs/dbraw/zinc/20/93/06/1169209306.db2.gz QJYMVPNXFYMOOL-UTUOFQBUSA-N -1 1 277.372 1.732 20 0 CDADMM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)c1nn[n-]n1 ZINC001649999070 1169588017 /nfs/dbraw/zinc/58/80/17/1169588017.db2.gz MMHPZTCLOVLEAO-SSDOTTSWSA-N -1 1 297.771 1.997 20 0 CDADMM CC(C)OCc1noc(CN[C@](C)(CC(=O)[O-])C(C)C)n1 ZINC001573523888 1170681689 /nfs/dbraw/zinc/68/16/89/1170681689.db2.gz KMFLMGFPKIYEMX-CQSZACIVSA-N -1 1 299.371 1.974 20 0 CDADMM CNc1ccc(C)cc1CN1CCO[C@](C)(C(=O)[O-])C1 ZINC001573909951 1170825796 /nfs/dbraw/zinc/82/57/96/1170825796.db2.gz DXFBAMKNBCYWHN-HNNXBMFYSA-N -1 1 278.352 1.712 20 0 CDADMM Cc1ocnc1C(=O)N1CC[C@H](c2[nH]ncc2C(=O)[O-])C1 ZINC001574207853 1170919158 /nfs/dbraw/zinc/91/91/58/1170919158.db2.gz DUVQYAOFVBKPAD-QMMMGPOBSA-N -1 1 290.279 1.034 20 0 CDADMM O=C([O-])[C@@H]1C2CCC(CC2)N1C(=O)c1cc(C(F)F)[nH]n1 ZINC001574383409 1170965002 /nfs/dbraw/zinc/96/50/02/1170965002.db2.gz DINGLHCUBMOFKU-QIMWKCOFSA-N -1 1 299.277 1.815 20 0 CDADMM O=C(c1nc(C2CC2)cs1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001650582459 1171206853 /nfs/dbraw/zinc/20/68/53/1171206853.db2.gz NNEXXWHANQBHPA-MRVPVSSYSA-N -1 1 290.352 1.163 20 0 CDADMM CCC(CC)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001576735481 1171503532 /nfs/dbraw/zinc/50/35/32/1171503532.db2.gz VMFVAQHBBFIBCW-UHFFFAOYSA-N -1 1 279.369 1.981 20 0 CDADMM Cc1nc2ccccc2n1CCC(=O)Nc1c[n-][nH]c1=O ZINC001654603443 1171624985 /nfs/dbraw/zinc/62/49/85/1171624985.db2.gz OBMATPBJXWHLQT-UHFFFAOYSA-N -1 1 285.307 1.802 20 0 CDADMM CN(C(=O)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001578932821 1172053662 /nfs/dbraw/zinc/05/36/62/1172053662.db2.gz WPTPYIYUSWBNON-UHFFFAOYSA-N -1 1 280.291 1.538 20 0 CDADMM CN(C(=O)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578932821 1172053671 /nfs/dbraw/zinc/05/36/71/1172053671.db2.gz WPTPYIYUSWBNON-UHFFFAOYSA-N -1 1 280.291 1.538 20 0 CDADMM Cc1nc2cc(-c3nccnc3CC(=O)[O-])ccc2[nH]1 ZINC000076398387 1172206766 /nfs/dbraw/zinc/20/67/66/1172206766.db2.gz QWCVTBXIUVASKM-UHFFFAOYSA-N -1 1 268.276 1.955 20 0 CDADMM Cc1ccc(Cn2ccc(-c3nn[n-]n3)cc2=O)cc1C ZINC001581202246 1172593000 /nfs/dbraw/zinc/59/30/00/1172593000.db2.gz NTWVTSPKANCCCS-UHFFFAOYSA-N -1 1 281.319 1.694 20 0 CDADMM O=C(NCCc1ccco1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582527199 1172680598 /nfs/dbraw/zinc/68/05/98/1172680598.db2.gz UOYWSCIHTMWPOV-UHFFFAOYSA-N -1 1 299.294 1.219 20 0 CDADMM O=C(NCCc1ccco1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582527199 1172680601 /nfs/dbraw/zinc/68/06/01/1172680601.db2.gz UOYWSCIHTMWPOV-UHFFFAOYSA-N -1 1 299.294 1.219 20 0 CDADMM CCC[C@@H](NC(=O)c1cc2ncccc2o1)c1nn[n-]n1 ZINC001587597219 1172992139 /nfs/dbraw/zinc/99/21/39/1172992139.db2.gz GVLRJBUMLHSDFB-MRVPVSSYSA-N -1 1 286.295 1.612 20 0 CDADMM CC(=Cc1cocn1)c1nc(C)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC001588771807 1173104418 /nfs/dbraw/zinc/10/44/18/1173104418.db2.gz AFVVIKKPHKIUOD-ZZXKWVIFSA-N -1 1 285.267 1.219 20 0 CDADMM CC(C)(C)CCNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589127593 1173126797 /nfs/dbraw/zinc/12/67/97/1173126797.db2.gz ZYZILAYHCBRQGL-UHFFFAOYSA-N -1 1 289.343 1.819 20 0 CDADMM CC(C)(C)CCNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589127593 1173126804 /nfs/dbraw/zinc/12/68/04/1173126804.db2.gz ZYZILAYHCBRQGL-UHFFFAOYSA-N -1 1 289.343 1.819 20 0 CDADMM CC(C)(F)CCNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001589312644 1173137566 /nfs/dbraw/zinc/13/75/66/1173137566.db2.gz LYKWFYHTPQGFQQ-UHFFFAOYSA-N -1 1 295.293 1.874 20 0 CDADMM CC(C)(F)CCNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001589312644 1173137568 /nfs/dbraw/zinc/13/75/68/1173137568.db2.gz LYKWFYHTPQGFQQ-UHFFFAOYSA-N -1 1 295.293 1.874 20 0 CDADMM C[C@H](CO)[C@@H]1CCCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001589887362 1173196021 /nfs/dbraw/zinc/19/60/21/1173196021.db2.gz RJNBMSMYEGIJCT-MFKMUULPSA-N -1 1 288.355 1.249 20 0 CDADMM C[C@H](CO)[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001589887362 1173196026 /nfs/dbraw/zinc/19/60/26/1173196026.db2.gz RJNBMSMYEGIJCT-MFKMUULPSA-N -1 1 288.355 1.249 20 0 CDADMM CC(CO)(CO)CSc1cccc(F)c1-c1nn[n-]n1 ZINC001589881539 1173196222 /nfs/dbraw/zinc/19/62/22/1173196222.db2.gz UUVRNTNHLBDRBC-UHFFFAOYSA-N -1 1 298.343 1.089 20 0 CDADMM C[C@H](CO)Nc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001589882565 1173196263 /nfs/dbraw/zinc/19/62/63/1173196263.db2.gz QCJXOIQQHXEPBL-RXMQYKEDSA-N -1 1 288.233 1.073 20 0 CDADMM C[C@H](CO)Nc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001589882565 1173196266 /nfs/dbraw/zinc/19/62/66/1173196266.db2.gz QCJXOIQQHXEPBL-RXMQYKEDSA-N -1 1 288.233 1.073 20 0 CDADMM C[C@@H](CO)[C@@H]1CCCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001589887360 1173196769 /nfs/dbraw/zinc/19/67/69/1173196769.db2.gz RJNBMSMYEGIJCT-GWCFXTLKSA-N -1 1 288.355 1.249 20 0 CDADMM C[C@@H](CO)[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001589887360 1173196771 /nfs/dbraw/zinc/19/67/71/1173196771.db2.gz RJNBMSMYEGIJCT-GWCFXTLKSA-N -1 1 288.355 1.249 20 0 CDADMM C[C@H](Nc1cc(-c2nnn[n-]2)ncn1)[C@@H](O)c1ccccc1 ZINC001589979913 1173222158 /nfs/dbraw/zinc/22/21/58/1173222158.db2.gz CDPHYAGWTCBKBC-TVQRCGJNSA-N -1 1 297.322 1.191 20 0 CDADMM C[C@H](Nc1cc(-c2nn[n-]n2)ncn1)[C@@H](O)c1ccccc1 ZINC001589979913 1173222164 /nfs/dbraw/zinc/22/21/64/1173222164.db2.gz CDPHYAGWTCBKBC-TVQRCGJNSA-N -1 1 297.322 1.191 20 0 CDADMM C[C@@H](c1ccccn1)N(C)c1ccnc(-c2nnn[n-]2)c1 ZINC001590048742 1173239957 /nfs/dbraw/zinc/23/99/57/1173239957.db2.gz CLTYXHYECHGXRL-JTQLQIEISA-N -1 1 281.323 1.854 20 0 CDADMM C[C@@H](c1ccccn1)N(C)c1ccnc(-c2nn[n-]n2)c1 ZINC001590048742 1173239962 /nfs/dbraw/zinc/23/99/62/1173239962.db2.gz CLTYXHYECHGXRL-JTQLQIEISA-N -1 1 281.323 1.854 20 0 CDADMM CC1(C)C(NC(=O)c2ccnc(-c3nnn[n-]3)c2)C1(C)C ZINC001590076894 1173246420 /nfs/dbraw/zinc/24/64/20/1173246420.db2.gz NAIKRGKRQGYTLV-UHFFFAOYSA-N -1 1 286.339 1.426 20 0 CDADMM CC1(C)C(NC(=O)c2ccnc(-c3nn[n-]n3)c2)C1(C)C ZINC001590076894 1173246427 /nfs/dbraw/zinc/24/64/27/1173246427.db2.gz NAIKRGKRQGYTLV-UHFFFAOYSA-N -1 1 286.339 1.426 20 0 CDADMM C[C@]1(CCNc2nccnc2-c2nnn[n-]2)CC1(F)F ZINC001590126732 1173265214 /nfs/dbraw/zinc/26/52/14/1173265214.db2.gz HOHNQLYCAAEQGX-JTQLQIEISA-N -1 1 281.270 1.504 20 0 CDADMM C[C@]1(CCNc2nccnc2-c2nn[n-]n2)CC1(F)F ZINC001590126732 1173265218 /nfs/dbraw/zinc/26/52/18/1173265218.db2.gz HOHNQLYCAAEQGX-JTQLQIEISA-N -1 1 281.270 1.504 20 0 CDADMM CC1(CCOC(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001590127628 1173265681 /nfs/dbraw/zinc/26/56/81/1173265681.db2.gz PVDBHOWEZYSQLX-UHFFFAOYSA-N -1 1 287.323 1.538 20 0 CDADMM CC1(CCOC(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001590127628 1173265688 /nfs/dbraw/zinc/26/56/88/1173265688.db2.gz PVDBHOWEZYSQLX-UHFFFAOYSA-N -1 1 287.323 1.538 20 0 CDADMM CC1(CC(F)F)CN(c2nccnc2-c2nnn[n-]2)C1 ZINC001590122939 1173265708 /nfs/dbraw/zinc/26/57/08/1173265708.db2.gz BXJMDWZQKDBKAA-UHFFFAOYSA-N -1 1 281.270 1.138 20 0 CDADMM CC1(CC(F)F)CN(c2nccnc2-c2nn[n-]n2)C1 ZINC001590122939 1173265713 /nfs/dbraw/zinc/26/57/13/1173265713.db2.gz BXJMDWZQKDBKAA-UHFFFAOYSA-N -1 1 281.270 1.138 20 0 CDADMM CC1=C[C@@H](C)CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590157556 1173276198 /nfs/dbraw/zinc/27/61/98/1173276198.db2.gz PELNUIGZVURTFS-SECBINFHSA-N -1 1 284.323 1.300 20 0 CDADMM CC1=C[C@@H](C)CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590157556 1173276200 /nfs/dbraw/zinc/27/62/00/1173276200.db2.gz PELNUIGZVURTFS-SECBINFHSA-N -1 1 284.323 1.300 20 0 CDADMM C[C@H]1[C@@H](C(F)(F)F)CCN1c1nccnc1-c1nnn[n-]1 ZINC001590166339 1173279443 /nfs/dbraw/zinc/27/94/43/1173279443.db2.gz ARPHIYFRXULKNI-BQBZGAKWSA-N -1 1 299.260 1.434 20 0 CDADMM C[C@H]1[C@@H](C(F)(F)F)CCN1c1nccnc1-c1nn[n-]n1 ZINC001590166339 1173279448 /nfs/dbraw/zinc/27/94/48/1173279448.db2.gz ARPHIYFRXULKNI-BQBZGAKWSA-N -1 1 299.260 1.434 20 0 CDADMM C[C@H]1C[C@H](C)N1C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590188190 1173285458 /nfs/dbraw/zinc/28/54/58/1173285458.db2.gz BHEYQSPJIHFUAF-YUMQZZPRSA-N -1 1 275.287 1.629 20 0 CDADMM C[C@H]1C[C@H](C)N1C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590188190 1173285462 /nfs/dbraw/zinc/28/54/62/1173285462.db2.gz BHEYQSPJIHFUAF-YUMQZZPRSA-N -1 1 275.287 1.629 20 0 CDADMM C[C@H]1C[C@@H]1c1noc(Cc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001590217157 1173296220 /nfs/dbraw/zinc/29/62/20/1173296220.db2.gz AFDMYSRSOOUFGK-CBAPKCEASA-N -1 1 283.295 1.359 20 0 CDADMM C[C@H]1C[C@@H]1c1noc(Cc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001590217157 1173296226 /nfs/dbraw/zinc/29/62/26/1173296226.db2.gz AFDMYSRSOOUFGK-CBAPKCEASA-N -1 1 283.295 1.359 20 0 CDADMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590220085 1173300275 /nfs/dbraw/zinc/30/02/75/1173300275.db2.gz RFGLMFOTTZINFO-HZQMYPQZSA-N -1 1 287.323 1.482 20 0 CDADMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590220085 1173300283 /nfs/dbraw/zinc/30/02/83/1173300283.db2.gz RFGLMFOTTZINFO-HZQMYPQZSA-N -1 1 287.323 1.482 20 0 CDADMM C[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590253029 1173321310 /nfs/dbraw/zinc/32/13/10/1173321310.db2.gz DLVNJOPQMHEBPI-DTWKUNHWSA-N -1 1 275.312 1.768 20 0 CDADMM C[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590253029 1173321318 /nfs/dbraw/zinc/32/13/18/1173321318.db2.gz DLVNJOPQMHEBPI-DTWKUNHWSA-N -1 1 275.312 1.768 20 0 CDADMM C[C@@H]1Cc2ccccc2[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590331243 1173361137 /nfs/dbraw/zinc/36/11/37/1173361137.db2.gz ILQZIIKDCALWOU-RNCFNFMXSA-N -1 1 293.334 1.424 20 0 CDADMM CC[C@@H](C)N(CC(=O)OC)Cc1ccc(-c2nnn[n-]2)o1 ZINC001590412195 1173400700 /nfs/dbraw/zinc/40/07/00/1173400700.db2.gz MVGZWKHEZZOHCV-SECBINFHSA-N -1 1 293.327 1.233 20 0 CDADMM CC[C@@H](C)N(CC(=O)OC)Cc1ccc(-c2nn[n-]n2)o1 ZINC001590412195 1173400703 /nfs/dbraw/zinc/40/07/03/1173400703.db2.gz MVGZWKHEZZOHCV-SECBINFHSA-N -1 1 293.327 1.233 20 0 CDADMM CC[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCCO1 ZINC001590473998 1173424542 /nfs/dbraw/zinc/42/45/42/1173424542.db2.gz VDMGECDSINCKAL-ONGXEEELSA-N -1 1 289.343 1.416 20 0 CDADMM CC[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCCO1 ZINC001590473998 1173424552 /nfs/dbraw/zinc/42/45/52/1173424552.db2.gz VDMGECDSINCKAL-ONGXEEELSA-N -1 1 289.343 1.416 20 0 CDADMM CCC1(CC)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001590490841 1173433726 /nfs/dbraw/zinc/43/37/26/1173433726.db2.gz IBIZXJPPOJKKJT-UHFFFAOYSA-N -1 1 273.344 1.816 20 0 CDADMM CC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H]1C ZINC001590514234 1173442963 /nfs/dbraw/zinc/44/29/63/1173442963.db2.gz GOFGWUGBZLPUFS-NXEZZACHSA-N -1 1 286.339 1.522 20 0 CDADMM CC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]1C ZINC001590514234 1173442967 /nfs/dbraw/zinc/44/29/67/1173442967.db2.gz GOFGWUGBZLPUFS-NXEZZACHSA-N -1 1 286.339 1.522 20 0 CDADMM CC[C@@H]1CCC[C@@H]1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590508172 1173443046 /nfs/dbraw/zinc/44/30/46/1173443046.db2.gz MOCYRHVCTAVNBW-ZJUUUORDSA-N -1 1 273.344 1.956 20 0 CDADMM CC[C@@H]1CCC[C@@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590508172 1173443050 /nfs/dbraw/zinc/44/30/50/1173443050.db2.gz MOCYRHVCTAVNBW-ZJUUUORDSA-N -1 1 273.344 1.956 20 0 CDADMM CC[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@H](CC)O1 ZINC001590520821 1173449928 /nfs/dbraw/zinc/44/99/28/1173449928.db2.gz JIJYYMAQHYFQAY-QWRGUYRKSA-N -1 1 288.355 1.656 20 0 CDADMM CC[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@H](CC)O1 ZINC001590520821 1173449931 /nfs/dbraw/zinc/44/99/31/1173449931.db2.gz JIJYYMAQHYFQAY-QWRGUYRKSA-N -1 1 288.355 1.656 20 0 CDADMM CCCC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001590538777 1173455148 /nfs/dbraw/zinc/45/51/48/1173455148.db2.gz PEDPGHOPLPINNP-UHFFFAOYSA-N -1 1 277.332 1.557 20 0 CDADMM CCCC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001590538777 1173455153 /nfs/dbraw/zinc/45/51/53/1173455153.db2.gz PEDPGHOPLPINNP-UHFFFAOYSA-N -1 1 277.332 1.557 20 0 CDADMM CCN(C(=O)c1coc(-c2nnn[n-]2)c1)c1ccncc1 ZINC001590676498 1173487104 /nfs/dbraw/zinc/48/71/04/1173487104.db2.gz PVFWAXOGYDBODE-UHFFFAOYSA-N -1 1 284.279 1.521 20 0 CDADMM CCN(C(=O)c1coc(-c2nn[n-]n2)c1)c1ccncc1 ZINC001590676498 1173487109 /nfs/dbraw/zinc/48/71/09/1173487109.db2.gz PVFWAXOGYDBODE-UHFFFAOYSA-N -1 1 284.279 1.521 20 0 CDADMM CCOC(=O)[C@@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001590753025 1173508584 /nfs/dbraw/zinc/50/85/84/1173508584.db2.gz XVVASGXZVVPPFI-LURJTMIESA-N -1 1 296.356 1.243 20 0 CDADMM CCOC1CC2(C[C@H]2Nc2nccnc2-c2nnn[n-]2)C1 ZINC001590794865 1173514220 /nfs/dbraw/zinc/51/42/20/1173514220.db2.gz JHESBMDUWVMNMR-XQVHRTOBSA-N -1 1 287.327 1.026 20 0 CDADMM CCOC1CC2(C[C@H]2Nc2nccnc2-c2nn[n-]n2)C1 ZINC001590794865 1173514224 /nfs/dbraw/zinc/51/42/24/1173514224.db2.gz JHESBMDUWVMNMR-XQVHRTOBSA-N -1 1 287.327 1.026 20 0 CDADMM CCc1ccncc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590899898 1173535373 /nfs/dbraw/zinc/53/53/73/1173535373.db2.gz AOTXNFILRMNJEW-UHFFFAOYSA-N -1 1 284.279 1.669 20 0 CDADMM CCc1ccncc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590899898 1173535378 /nfs/dbraw/zinc/53/53/78/1173535378.db2.gz AOTXNFILRMNJEW-UHFFFAOYSA-N -1 1 284.279 1.669 20 0 CDADMM CCc1occc1C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001590939778 1173548049 /nfs/dbraw/zinc/54/80/49/1173548049.db2.gz ZXBGNIMOOPZVDK-UHFFFAOYSA-N -1 1 299.290 1.774 20 0 CDADMM CCc1occc1C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001590939778 1173548053 /nfs/dbraw/zinc/54/80/53/1173548053.db2.gz ZXBGNIMOOPZVDK-UHFFFAOYSA-N -1 1 299.290 1.774 20 0 CDADMM CCn1ncc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1C ZINC001590968947 1173551895 /nfs/dbraw/zinc/55/18/95/1173551895.db2.gz UCMLWNJKYXMHDF-UHFFFAOYSA-N -1 1 287.283 1.237 20 0 CDADMM CN(CC1CCOCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001591063698 1173567917 /nfs/dbraw/zinc/56/79/17/1173567917.db2.gz ANGTXEUXRDTSQL-UHFFFAOYSA-N -1 1 274.328 1.125 20 0 CDADMM CN(CC1CCOCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001591063698 1173567921 /nfs/dbraw/zinc/56/79/21/1173567921.db2.gz ANGTXEUXRDTSQL-UHFFFAOYSA-N -1 1 274.328 1.125 20 0 CDADMM COC1(CCOC(=O)c2ccc(-c3nn[n-]n3)o2)CCC1 ZINC001591341006 1173619938 /nfs/dbraw/zinc/61/99/38/1173619938.db2.gz HPAWYXWPMQQLLX-UHFFFAOYSA-N -1 1 292.295 1.576 20 0 CDADMM COC1CC(CCNc2cc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001591350440 1173623425 /nfs/dbraw/zinc/62/34/25/1173623425.db2.gz XBNVZDNYKKVWEZ-UHFFFAOYSA-N -1 1 288.355 1.797 20 0 CDADMM COC1CC(CCNc2cc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001591350440 1173623428 /nfs/dbraw/zinc/62/34/28/1173623428.db2.gz XBNVZDNYKKVWEZ-UHFFFAOYSA-N -1 1 288.355 1.797 20 0 CDADMM CO[C@H]1CN(c2snc(C)c2-c2nn[n-]n2)CC[C@H]1C ZINC001591358987 1173628950 /nfs/dbraw/zinc/62/89/50/1173628950.db2.gz BPKFIFVPWFTOLW-APPZFPTMSA-N -1 1 294.384 1.493 20 0 CDADMM COC[C@H]1CCCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001591391975 1173641343 /nfs/dbraw/zinc/64/13/43/1173641343.db2.gz AYRYBBSEDIBDKC-NSHDSACASA-N -1 1 288.355 1.515 20 0 CDADMM COC[C@H]1CCCCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001591391975 1173641346 /nfs/dbraw/zinc/64/13/46/1173641346.db2.gz AYRYBBSEDIBDKC-NSHDSACASA-N -1 1 288.355 1.515 20 0 CDADMM COCC[C@@H](C)NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591398732 1173644298 /nfs/dbraw/zinc/64/42/98/1173644298.db2.gz HRWAVOYFVPLISB-MRVPVSSYSA-N -1 1 293.302 1.161 20 0 CDADMM COCC[C@@H](C)NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591398732 1173644304 /nfs/dbraw/zinc/64/43/04/1173644304.db2.gz HRWAVOYFVPLISB-MRVPVSSYSA-N -1 1 293.302 1.161 20 0 CDADMM CO[C@@H]1CCCC[C@@H]1OC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591467196 1173656383 /nfs/dbraw/zinc/65/63/83/1173656383.db2.gz AVBRVHLYGIZMHM-ZJUUUORDSA-N -1 1 292.295 1.574 20 0 CDADMM CO[C@@H]1CCCC[C@@H]1OC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591467196 1173656385 /nfs/dbraw/zinc/65/63/85/1173656385.db2.gz AVBRVHLYGIZMHM-ZJUUUORDSA-N -1 1 292.295 1.574 20 0 CDADMM COc1ccc(Nc2cnc(-c3nnn[n-]3)cn2)c(OC)c1 ZINC001591617448 1173673850 /nfs/dbraw/zinc/67/38/50/1173673850.db2.gz LOPQQYHQDMAVLO-UHFFFAOYSA-N -1 1 299.294 1.418 20 0 CDADMM COc1ccc(Nc2cnc(-c3nn[n-]n3)cn2)c(OC)c1 ZINC001591617448 1173673856 /nfs/dbraw/zinc/67/38/56/1173673856.db2.gz LOPQQYHQDMAVLO-UHFFFAOYSA-N -1 1 299.294 1.418 20 0 CDADMM C[C@H]1c2ccccc2C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001591776531 1173698466 /nfs/dbraw/zinc/69/84/66/1173698466.db2.gz YYZIKTRKSKIRGR-JOYOIKCWSA-N -1 1 293.334 1.219 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H]2C2CC2)c1 ZINC001591888598 1173737740 /nfs/dbraw/zinc/73/77/40/1173737740.db2.gz LYJCRPALAQGYGH-LBPRGKRZSA-N -1 1 270.340 1.949 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H]2C2CC2)c1 ZINC001591888598 1173737746 /nfs/dbraw/zinc/73/77/46/1173737746.db2.gz LYJCRPALAQGYGH-LBPRGKRZSA-N -1 1 270.340 1.949 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C)C(O)[C@H](C)C2)c1 ZINC001591884403 1173739137 /nfs/dbraw/zinc/73/91/37/1173739137.db2.gz YTULYMDOMDMHDF-NXEZZACHSA-N -1 1 288.355 1.023 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C)C(O)[C@H](C)C2)c1 ZINC001591884403 1173739142 /nfs/dbraw/zinc/73/91/42/1173739142.db2.gz YTULYMDOMDMHDF-NXEZZACHSA-N -1 1 288.355 1.023 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@]3(CC[C@@H](C)C3)C2)n1 ZINC001591886922 1173740247 /nfs/dbraw/zinc/74/02/47/1173740247.db2.gz OTYVAKFZKQQAIC-BMIGLBTASA-N -1 1 299.382 1.982 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@]3(CC[C@@H](C)C3)C2)n1 ZINC001591886922 1173740249 /nfs/dbraw/zinc/74/02/49/1173740249.db2.gz OTYVAKFZKQQAIC-BMIGLBTASA-N -1 1 299.382 1.982 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@]2(C)CCCS2)n1 ZINC001591895818 1173742132 /nfs/dbraw/zinc/74/21/32/1173742132.db2.gz HKHCWXARJSNVJU-GFCCVEGCSA-N -1 1 291.384 1.663 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@]2(C)CCCS2)n1 ZINC001591895818 1173742137 /nfs/dbraw/zinc/74/21/37/1173742137.db2.gz HKHCWXARJSNVJU-GFCCVEGCSA-N -1 1 291.384 1.663 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCCCC(F)F)n1 ZINC001591898060 1173743589 /nfs/dbraw/zinc/74/35/89/1173743589.db2.gz MZTCDCAPSRSGMF-UHFFFAOYSA-N -1 1 269.259 1.422 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCCCC(F)F)n1 ZINC001591898060 1173743593 /nfs/dbraw/zinc/74/35/93/1173743593.db2.gz MZTCDCAPSRSGMF-UHFFFAOYSA-N -1 1 269.259 1.422 20 0 CDADMM Cc1cc(N[C@H](C)[C@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001592032727 1173776364 /nfs/dbraw/zinc/77/63/64/1173776364.db2.gz DGGQHPLUJWQVRL-MNOVXSKESA-N -1 1 288.355 1.219 20 0 CDADMM Cc1cc(N[C@H](C)[C@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001592032727 1173776368 /nfs/dbraw/zinc/77/63/68/1173776368.db2.gz DGGQHPLUJWQVRL-MNOVXSKESA-N -1 1 288.355 1.219 20 0 CDADMM Cc1cc(N[C@H]2CSC[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592040510 1173780862 /nfs/dbraw/zinc/78/08/62/1173780862.db2.gz ZYRSGTMVMBLYRF-CPCISQLKSA-N -1 1 276.369 1.155 20 0 CDADMM Cc1cc(N[C@H]2CSC[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592040510 1173780873 /nfs/dbraw/zinc/78/08/73/1173780873.db2.gz ZYRSGTMVMBLYRF-CPCISQLKSA-N -1 1 276.369 1.155 20 0 CDADMM Cc1cc(NCc2cccc(-c3nn[n-]n3)n2)cnc1C ZINC001592053383 1173788615 /nfs/dbraw/zinc/78/86/15/1173788615.db2.gz ZZCVJFUBILDOAB-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1ccc(CNc2n[nH]cc2-c2nnn[n-]2)cc1F ZINC001592166412 1173818563 /nfs/dbraw/zinc/81/85/63/1173818563.db2.gz LMZNCDJOADJLGD-UHFFFAOYSA-N -1 1 273.275 1.649 20 0 CDADMM Cc1nsc(NCc2ccc(C)cn2)c1-c1nn[n-]n1 ZINC001592167133 1173820716 /nfs/dbraw/zinc/82/07/16/1173820716.db2.gz BTYWQWXTAQMCHW-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1ccc(N(C)CC2=CCSC2)c(-c2nnn[n-]2)n1 ZINC001592175258 1173822610 /nfs/dbraw/zinc/82/26/10/1173822610.db2.gz KTXJJCGBLNFLQL-UHFFFAOYSA-N -1 1 288.380 1.680 20 0 CDADMM Cc1ccc(N(C)CC2=CCSC2)c(-c2nn[n-]n2)n1 ZINC001592175258 1173822615 /nfs/dbraw/zinc/82/26/15/1173822615.db2.gz KTXJJCGBLNFLQL-UHFFFAOYSA-N -1 1 288.380 1.680 20 0 CDADMM Cc1ccc(N2CC[C@@H](C(C)(C)O)C2)c(-c2nnn[n-]2)n1 ZINC001592174366 1173824291 /nfs/dbraw/zinc/82/42/91/1173824291.db2.gz CABVCZGSODNNGS-SNVBAGLBSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(N2CC[C@@H](C(C)(C)O)C2)c(-c2nn[n-]n2)n1 ZINC001592174366 1173824303 /nfs/dbraw/zinc/82/43/03/1173824303.db2.gz CABVCZGSODNNGS-SNVBAGLBSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(N2CCC(F)CC2)nc1-c1nnn[n-]1 ZINC001592177615 1173826912 /nfs/dbraw/zinc/82/69/12/1173826912.db2.gz CSCQDPBQWCJULT-UHFFFAOYSA-N -1 1 262.292 1.508 20 0 CDADMM Cc1ccc(N2CCC(F)CC2)nc1-c1nn[n-]n1 ZINC001592177615 1173826917 /nfs/dbraw/zinc/82/69/17/1173826917.db2.gz CSCQDPBQWCJULT-UHFFFAOYSA-N -1 1 262.292 1.508 20 0 CDADMM Cc1cc(CNc2ccc(C)nc2-c2nnn[n-]2)no1 ZINC001592184531 1173828729 /nfs/dbraw/zinc/82/87/29/1173828729.db2.gz IUQBGMBDKFDEIY-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1cc(CNc2ccc(C)nc2-c2nn[n-]n2)no1 ZINC001592184531 1173828737 /nfs/dbraw/zinc/82/87/37/1173828737.db2.gz IUQBGMBDKFDEIY-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1ccc(N[C@H]2COC3(CCC3)C2)c(-c2nnn[n-]2)n1 ZINC001592183203 1173829760 /nfs/dbraw/zinc/82/97/60/1173829760.db2.gz APZBBBLSCIPDMI-SNVBAGLBSA-N -1 1 286.339 1.694 20 0 CDADMM Cc1ccc(N[C@H]2COC3(CCC3)C2)c(-c2nn[n-]n2)n1 ZINC001592183203 1173829765 /nfs/dbraw/zinc/82/97/65/1173829765.db2.gz APZBBBLSCIPDMI-SNVBAGLBSA-N -1 1 286.339 1.694 20 0 CDADMM Cc1cccc(CCCNc2nccnc2-c2nnn[n-]2)n1 ZINC001592228758 1173832281 /nfs/dbraw/zinc/83/22/81/1173832281.db2.gz GGKVSVPKZIXTNC-UHFFFAOYSA-N -1 1 296.338 1.405 20 0 CDADMM Cc1cccc(CCCNc2nccnc2-c2nn[n-]n2)n1 ZINC001592228758 1173832291 /nfs/dbraw/zinc/83/22/91/1173832291.db2.gz GGKVSVPKZIXTNC-UHFFFAOYSA-N -1 1 296.338 1.405 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@@H]2CCC[C@H](C)C2)c1-c1nn[n-]n1 ZINC001592327115 1173855018 /nfs/dbraw/zinc/85/50/18/1173855018.db2.gz CMPACWNJQLPWRW-IONNQARKSA-N -1 1 289.343 1.663 20 0 CDADMM Cc1[nH]nc(NC(=O)c2cccs2)c1-c1nn[n-]n1 ZINC001592333021 1173856883 /nfs/dbraw/zinc/85/68/83/1173856883.db2.gz YMZWHLWIFAWARL-UHFFFAOYSA-N -1 1 275.297 1.212 20 0 CDADMM Cc1[nH]nc(NC(=O)Cc2cccs2)c1-c1nn[n-]n1 ZINC001592330472 1173857819 /nfs/dbraw/zinc/85/78/19/1173857819.db2.gz OPEDIZMYVRKFPM-UHFFFAOYSA-N -1 1 289.324 1.141 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC23CCCC3)n1 ZINC001592337123 1173859608 /nfs/dbraw/zinc/85/96/08/1173859608.db2.gz BXNOAWNWTKAYGM-UHFFFAOYSA-N -1 1 271.328 1.488 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC23CCCC3)n1 ZINC001592337123 1173859615 /nfs/dbraw/zinc/85/96/15/1173859615.db2.gz BXNOAWNWTKAYGM-UHFFFAOYSA-N -1 1 271.328 1.488 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2C3CCC2CC3)n1 ZINC001592337593 1173860308 /nfs/dbraw/zinc/86/03/08/1173860308.db2.gz LHJVLWPMVRRSOJ-UHFFFAOYSA-N -1 1 257.301 1.096 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2C3CCC2CC3)n1 ZINC001592337593 1173860311 /nfs/dbraw/zinc/86/03/11/1173860311.db2.gz LHJVLWPMVRRSOJ-UHFFFAOYSA-N -1 1 257.301 1.096 20 0 CDADMM Cc1nc(CNCc2nc(-c3nnn[n-]3)cs2)cs1 ZINC001592360870 1173866497 /nfs/dbraw/zinc/86/64/97/1173866497.db2.gz MIKGHOWKVAJVFO-UHFFFAOYSA-N -1 1 293.381 1.378 20 0 CDADMM Cc1nc(CNCc2nc(-c3nn[n-]n3)cs2)cs1 ZINC001592360870 1173866501 /nfs/dbraw/zinc/86/65/01/1173866501.db2.gz MIKGHOWKVAJVFO-UHFFFAOYSA-N -1 1 293.381 1.378 20 0 CDADMM Cc1nc(Cn2c(C)c(C)nc2-c2nnn[n-]2)sc1C ZINC001592363090 1173867072 /nfs/dbraw/zinc/86/70/72/1173867072.db2.gz VBUXDUFYWOIXMV-UHFFFAOYSA-N -1 1 289.368 1.802 20 0 CDADMM Cc1nc(Cn2c(C)c(C)nc2-c2nn[n-]n2)sc1C ZINC001592363090 1173867074 /nfs/dbraw/zinc/86/70/74/1173867074.db2.gz VBUXDUFYWOIXMV-UHFFFAOYSA-N -1 1 289.368 1.802 20 0 CDADMM Cc1nc(N[C@@H]2CCS[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001592383277 1173876627 /nfs/dbraw/zinc/87/66/27/1173876627.db2.gz VJVCMCGEMVSJDI-IONNQARKSA-N -1 1 291.384 1.661 20 0 CDADMM Cc1nc(N[C@@H]2CCS[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001592383277 1173876630 /nfs/dbraw/zinc/87/66/30/1173876630.db2.gz VJVCMCGEMVSJDI-IONNQARKSA-N -1 1 291.384 1.661 20 0 CDADMM Cc1nc(NCCc2ccncc2)cc(-c2nnn[n-]2)n1 ZINC001592391524 1173878440 /nfs/dbraw/zinc/87/84/40/1173878440.db2.gz NJBCDIRQSDWCEV-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1nc(NCCc2ccncc2)cc(-c2nn[n-]n2)n1 ZINC001592391524 1173878447 /nfs/dbraw/zinc/87/84/47/1173878447.db2.gz NJBCDIRQSDWCEV-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1nc(Sc2cnc(-c3nnn[n-]3)cn2)sc1C ZINC001592399784 1173882004 /nfs/dbraw/zinc/88/20/04/1173882004.db2.gz SJWHLHFDBCMVSW-UHFFFAOYSA-N -1 1 291.365 1.881 20 0 CDADMM Cc1nc(Sc2cnc(-c3nn[n-]n3)cn2)sc1C ZINC001592399784 1173882007 /nfs/dbraw/zinc/88/20/07/1173882007.db2.gz SJWHLHFDBCMVSW-UHFFFAOYSA-N -1 1 291.365 1.881 20 0 CDADMM Cc1nnsc1COc1cccnc1-c1nnn[n-]1 ZINC001592454893 1173895163 /nfs/dbraw/zinc/89/51/63/1173895163.db2.gz VVMUNALUHUSCQZ-UHFFFAOYSA-N -1 1 275.297 1.001 20 0 CDADMM Cc1nnsc1COc1cccnc1-c1nn[n-]n1 ZINC001592454893 1173895167 /nfs/dbraw/zinc/89/51/67/1173895167.db2.gz VVMUNALUHUSCQZ-UHFFFAOYSA-N -1 1 275.297 1.001 20 0 CDADMM Cc1nonc1CSCc1ccc(-c2nnn[n-]2)o1 ZINC001592467037 1173898040 /nfs/dbraw/zinc/89/80/40/1173898040.db2.gz PCPFCVLNPCMFLD-UHFFFAOYSA-N -1 1 278.297 1.585 20 0 CDADMM Cc1nonc1CSCc1ccc(-c2nn[n-]n2)o1 ZINC001592467037 1173898044 /nfs/dbraw/zinc/89/80/44/1173898044.db2.gz PCPFCVLNPCMFLD-UHFFFAOYSA-N -1 1 278.297 1.585 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@H](C)C1 ZINC001592496232 1173904642 /nfs/dbraw/zinc/90/46/42/1173904642.db2.gz BTNKQNYUHRLCSQ-QMMMGPOBSA-N -1 1 275.312 1.640 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@H](C)C1 ZINC001592496232 1173904645 /nfs/dbraw/zinc/90/46/45/1173904645.db2.gz BTNKQNYUHRLCSQ-QMMMGPOBSA-N -1 1 275.312 1.640 20 0 CDADMM Clc1nsc(N2CC3(C2)CCOC3)c1-c1nnn[n-]1 ZINC001592538383 1173915021 /nfs/dbraw/zinc/91/50/21/1173915021.db2.gz RXXNEBOQUCLLIY-UHFFFAOYSA-N -1 1 298.759 1.203 20 0 CDADMM Clc1nsc(N2CC3(C2)CCOC3)c1-c1nn[n-]n1 ZINC001592538383 1173915026 /nfs/dbraw/zinc/91/50/26/1173915026.db2.gz RXXNEBOQUCLLIY-UHFFFAOYSA-N -1 1 298.759 1.203 20 0 CDADMM Clc1nc(NCC2=CCCOC2)sc1-c1nnn[n-]1 ZINC001592540366 1173916780 /nfs/dbraw/zinc/91/67/80/1173916780.db2.gz JFJISZGHSYSHCQ-UHFFFAOYSA-N -1 1 298.759 1.735 20 0 CDADMM Clc1nc(NCC2=CCCOC2)sc1-c1nn[n-]n1 ZINC001592540366 1173916782 /nfs/dbraw/zinc/91/67/82/1173916782.db2.gz JFJISZGHSYSHCQ-UHFFFAOYSA-N -1 1 298.759 1.735 20 0 CDADMM Cn1cnc2cc(Nc3cnc(-c4nn[n-]n4)cn3)ccc21 ZINC001592588056 1173925085 /nfs/dbraw/zinc/92/50/85/1173925085.db2.gz HZIBTJFBDNLVMK-UHFFFAOYSA-N -1 1 293.294 1.287 20 0 CDADMM FC(F)(F)[C@@H](NCc1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC001592614044 1173928945 /nfs/dbraw/zinc/92/89/45/1173928945.db2.gz RKJQPECBBDYNMO-VIFPVBQESA-N -1 1 287.245 1.890 20 0 CDADMM FC(F)(F)[C@@H](NCc1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC001592614044 1173928947 /nfs/dbraw/zinc/92/89/47/1173928947.db2.gz RKJQPECBBDYNMO-VIFPVBQESA-N -1 1 287.245 1.890 20 0 CDADMM FC(F)(F)CCSc1ncncc1-c1nnn[n-]1 ZINC001592614340 1173930053 /nfs/dbraw/zinc/93/00/53/1173930053.db2.gz KBFUHVMKGOUSSI-UHFFFAOYSA-N -1 1 276.247 1.701 20 0 CDADMM FC(F)(F)CCSc1ncncc1-c1nn[n-]n1 ZINC001592614340 1173930062 /nfs/dbraw/zinc/93/00/62/1173930062.db2.gz KBFUHVMKGOUSSI-UHFFFAOYSA-N -1 1 276.247 1.701 20 0 CDADMM FC1(F)CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592628960 1173937287 /nfs/dbraw/zinc/93/72/87/1173937287.db2.gz YAPOXQVTUHDYJJ-QMMMGPOBSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(F)CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592628960 1173937291 /nfs/dbraw/zinc/93/72/91/1173937291.db2.gz YAPOXQVTUHDYJJ-QMMMGPOBSA-N -1 1 295.297 1.894 20 0 CDADMM F[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001592632726 1173944686 /nfs/dbraw/zinc/94/46/86/1173944686.db2.gz PDHTXHKCQFNQKL-SCSAIBSYSA-N -1 1 274.712 1.525 20 0 CDADMM Fc1ccc([C@H]2CCN2c2cncc(-c3nnn[n-]3)n2)cc1 ZINC001592648791 1173953838 /nfs/dbraw/zinc/95/38/38/1173953838.db2.gz YKTSUOITMMSBTH-GFCCVEGCSA-N -1 1 297.297 1.747 20 0 CDADMM Fc1ccc([C@H]2CCN2c2cncc(-c3nn[n-]n3)n2)cc1 ZINC001592648791 1173953841 /nfs/dbraw/zinc/95/38/41/1173953841.db2.gz YKTSUOITMMSBTH-GFCCVEGCSA-N -1 1 297.297 1.747 20 0 CDADMM Fc1ccc(Sc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001592653120 1173954147 /nfs/dbraw/zinc/95/41/47/1173954147.db2.gz LAOACOTWCDMEPW-UHFFFAOYSA-N -1 1 274.284 1.947 20 0 CDADMM Fc1ccc(Sc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001592653120 1173954153 /nfs/dbraw/zinc/95/41/53/1173954153.db2.gz LAOACOTWCDMEPW-UHFFFAOYSA-N -1 1 274.284 1.947 20 0 CDADMM Fc1ccc2c(c1)CC[C@H]2Nc1ncncc1-c1nn[n-]n1 ZINC001592653256 1173955093 /nfs/dbraw/zinc/95/50/93/1173955093.db2.gz RVMRYQCLMZGHFC-GFCCVEGCSA-N -1 1 297.297 1.895 20 0 CDADMM Fc1ccc2c(c1)CC[C@@H]2Nc1cnc(-c2nnn[n-]2)cn1 ZINC001592653182 1173955235 /nfs/dbraw/zinc/95/52/35/1173955235.db2.gz ORAPEWWPNCWFFJ-NSHDSACASA-N -1 1 297.297 1.895 20 0 CDADMM Fc1ccc2c(c1)CC[C@@H]2Nc1cnc(-c2nn[n-]n2)cn1 ZINC001592653182 1173955240 /nfs/dbraw/zinc/95/52/40/1173955240.db2.gz ORAPEWWPNCWFFJ-NSHDSACASA-N -1 1 297.297 1.895 20 0 CDADMM Fc1cccc(CNc2nccnc2-c2nnn[n-]2)c1F ZINC001592657346 1173955931 /nfs/dbraw/zinc/95/59/31/1173955931.db2.gz LUVYPDDZIZRTBD-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM Fc1cccc(CNc2nccnc2-c2nn[n-]n2)c1F ZINC001592657346 1173955940 /nfs/dbraw/zinc/95/59/40/1173955940.db2.gz LUVYPDDZIZRTBD-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM O=C(CC1CC1)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001592811720 1173993569 /nfs/dbraw/zinc/99/35/69/1173993569.db2.gz WWYOXEQFVLFFKO-UHFFFAOYSA-N -1 1 284.323 1.341 20 0 CDADMM O=C(CC1CC1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001592811720 1173993573 /nfs/dbraw/zinc/99/35/73/1173993573.db2.gz WWYOXEQFVLFFKO-UHFFFAOYSA-N -1 1 284.323 1.341 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC1(C2CCC2)CC1 ZINC001592914790 1174004957 /nfs/dbraw/zinc/00/49/57/1174004957.db2.gz HEBMQYOVSLEZHX-UHFFFAOYSA-N -1 1 298.350 1.253 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC1(C2CCC2)CC1 ZINC001592914790 1174004965 /nfs/dbraw/zinc/00/49/65/1174004965.db2.gz HEBMQYOVSLEZHX-UHFFFAOYSA-N -1 1 298.350 1.253 20 0 CDADMM O=C(NC[C@H]1CC=CCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593029575 1174014876 /nfs/dbraw/zinc/01/48/76/1174014876.db2.gz JNCZHBKJGPFDFR-JTQLQIEISA-N -1 1 284.323 1.348 20 0 CDADMM O=C(NC[C@H]1CC=CCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593029575 1174014884 /nfs/dbraw/zinc/01/48/84/1174014884.db2.gz JNCZHBKJGPFDFR-JTQLQIEISA-N -1 1 284.323 1.348 20 0 CDADMM O=C(NCCC1CC1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593060828 1174018574 /nfs/dbraw/zinc/01/85/74/1174018574.db2.gz DWYOUOKMKNEJDB-UHFFFAOYSA-N -1 1 296.334 1.878 20 0 CDADMM O=C(NCCCF)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001593068595 1174021656 /nfs/dbraw/zinc/02/16/56/1174021656.db2.gz DVGJRZOECUUJIL-UHFFFAOYSA-N -1 1 285.229 1.234 20 0 CDADMM O=C(NCCCF)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001593068595 1174021663 /nfs/dbraw/zinc/02/16/63/1174021663.db2.gz DVGJRZOECUUJIL-UHFFFAOYSA-N -1 1 285.229 1.234 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1ccccn1 ZINC001593137133 1174024213 /nfs/dbraw/zinc/02/42/13/1174024213.db2.gz OMNHLCKPPLOCAT-UHFFFAOYSA-N -1 1 286.320 1.253 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cc2ccccc2[nH]1 ZINC001593196897 1174031498 /nfs/dbraw/zinc/03/14/98/1174031498.db2.gz AYCDDOXOIBOWSO-UHFFFAOYSA-N -1 1 294.278 1.323 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc2ccccc2[nH]1 ZINC001593196897 1174031502 /nfs/dbraw/zinc/03/15/02/1174031502.db2.gz AYCDDOXOIBOWSO-UHFFFAOYSA-N -1 1 294.278 1.323 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@H]1CC12CC2 ZINC001593244508 1174041047 /nfs/dbraw/zinc/04/10/47/1174041047.db2.gz YRHUXOWLCBUCJW-SSDOTTSWSA-N -1 1 256.269 1.000 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@H]1CC12CC2 ZINC001593244508 1174041052 /nfs/dbraw/zinc/04/10/52/1174041052.db2.gz YRHUXOWLCBUCJW-SSDOTTSWSA-N -1 1 256.269 1.000 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001593268839 1174045658 /nfs/dbraw/zinc/04/56/58/1174045658.db2.gz ZUDXMTZEESTTLA-RNJXMRFFSA-N -1 1 290.352 1.698 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001593268839 1174045665 /nfs/dbraw/zinc/04/56/65/1174045665.db2.gz ZUDXMTZEESTTLA-RNJXMRFFSA-N -1 1 290.352 1.698 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001593268836 1174046487 /nfs/dbraw/zinc/04/64/87/1174046487.db2.gz ZUDXMTZEESTTLA-BWZBUEFSSA-N -1 1 290.352 1.698 20 0 CDADMM O=C(OCc1cscn1)c1coc(-c2nnn[n-]2)c1 ZINC001593305050 1174059013 /nfs/dbraw/zinc/05/90/13/1174059013.db2.gz GHOJAFFCUSWRAE-UHFFFAOYSA-N -1 1 277.265 1.273 20 0 CDADMM O=C(OCc1cscn1)c1coc(-c2nn[n-]n2)c1 ZINC001593305050 1174059017 /nfs/dbraw/zinc/05/90/17/1174059017.db2.gz GHOJAFFCUSWRAE-UHFFFAOYSA-N -1 1 277.265 1.273 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)c(Cl)n1)N1CCCCC1 ZINC001593335962 1174066712 /nfs/dbraw/zinc/06/67/12/1174066712.db2.gz UCMAORHETSEHEG-UHFFFAOYSA-N -1 1 292.730 1.541 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1C2CCCC1CCC2 ZINC001593347666 1174068846 /nfs/dbraw/zinc/06/88/46/1174068846.db2.gz FKWUFFNMVKQHGL-UHFFFAOYSA-N -1 1 298.350 1.809 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1C2CCCC1CCC2 ZINC001593347666 1174068852 /nfs/dbraw/zinc/06/88/52/1174068852.db2.gz FKWUFFNMVKQHGL-UHFFFAOYSA-N -1 1 298.350 1.809 20 0 CDADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCCSCC1 ZINC001593370753 1174071819 /nfs/dbraw/zinc/07/18/19/1174071819.db2.gz HQGKEIHBPKIMCG-UHFFFAOYSA-N -1 1 295.393 1.507 20 0 CDADMM Oc1ccc2c(c1)[C@H](Nc1ncncc1-c1nn[n-]n1)CC2 ZINC001593540446 1174112681 /nfs/dbraw/zinc/11/26/81/1174112681.db2.gz VYVBPAOHEBROES-GFCCVEGCSA-N -1 1 295.306 1.462 20 0 CDADMM c1cc([C@@H]2CCCN2c2ccnc(-c3nnn[n-]3)c2)n[nH]1 ZINC001593551595 1174123490 /nfs/dbraw/zinc/12/34/90/1174123490.db2.gz JZWDAAWBSCDFMY-LBPRGKRZSA-N -1 1 282.311 1.326 20 0 CDADMM c1cc([C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)c2)n[nH]1 ZINC001593551595 1174123501 /nfs/dbraw/zinc/12/35/01/1174123501.db2.gz JZWDAAWBSCDFMY-LBPRGKRZSA-N -1 1 282.311 1.326 20 0 CDADMM c1cc(NC[C@@H]2CCCC23CC3)nc(-c2nn[n-]n2)n1 ZINC001593559030 1174132978 /nfs/dbraw/zinc/13/29/78/1174132978.db2.gz SHZXVIUOFKWMMK-VIFPVBQESA-N -1 1 271.328 1.071 20 0 CDADMM c1ccc(CC2(Nc3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC001593571597 1174142181 /nfs/dbraw/zinc/14/21/81/1174142181.db2.gz BPCGENKBUXQNIM-UHFFFAOYSA-N -1 1 293.334 1.844 20 0 CDADMM c1ccc(CC2(Nc3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC001593571597 1174142183 /nfs/dbraw/zinc/14/21/83/1174142183.db2.gz BPCGENKBUXQNIM-UHFFFAOYSA-N -1 1 293.334 1.844 20 0 CDADMM c1ccc2c(c1)CO[C@@H]2CNc1cncc(-c2nnn[n-]2)n1 ZINC001593579096 1174144213 /nfs/dbraw/zinc/14/42/13/1174144213.db2.gz BHGAUTWAZHAENG-GFCCVEGCSA-N -1 1 295.306 1.340 20 0 CDADMM c1ccc2c(c1)CO[C@@H]2CNc1cncc(-c2nn[n-]n2)n1 ZINC001593579096 1174144215 /nfs/dbraw/zinc/14/42/15/1174144215.db2.gz BHGAUTWAZHAENG-GFCCVEGCSA-N -1 1 295.306 1.340 20 0 CDADMM c1ccc2ncc(Oc3nnccc3-c3nnn[n-]3)cc2c1 ZINC001593581709 1174147674 /nfs/dbraw/zinc/14/76/74/1174147674.db2.gz UMPORYWYQCGLKH-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1ccc2ncc(Oc3nnccc3-c3nn[n-]n3)cc2c1 ZINC001593581709 1174147677 /nfs/dbraw/zinc/14/76/77/1174147677.db2.gz UMPORYWYQCGLKH-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@H]2CCCC23CC3)n1 ZINC001593582839 1174148195 /nfs/dbraw/zinc/14/81/95/1174148195.db2.gz AZBQBKNYWMIYKR-QMMMGPOBSA-N -1 1 257.301 1.401 20 0 CDADMM c1cncc(OCCNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001593588328 1174155583 /nfs/dbraw/zinc/15/55/83/1174155583.db2.gz XJFORVXMOVKPTG-UHFFFAOYSA-N -1 1 283.295 1.148 20 0 CDADMM c1cncc(OCCNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001593588328 1174155588 /nfs/dbraw/zinc/15/55/88/1174155588.db2.gz XJFORVXMOVKPTG-UHFFFAOYSA-N -1 1 283.295 1.148 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NC[C@H]1CCCCS1 ZINC001593590518 1174157602 /nfs/dbraw/zinc/15/76/02/1174157602.db2.gz WCSKLCHEEJYRIS-MRVPVSSYSA-N -1 1 277.357 1.354 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NC[C@H]1CCCCS1 ZINC001593590518 1174157608 /nfs/dbraw/zinc/15/76/08/1174157608.db2.gz WCSKLCHEEJYRIS-MRVPVSSYSA-N -1 1 277.357 1.354 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1N[C@H]1CCO[C@@H](C2CC2)C1 ZINC001593590361 1174158330 /nfs/dbraw/zinc/15/83/30/1174158330.db2.gz PITSLIMLGDSOFB-GXSJLCMTSA-N -1 1 287.327 1.026 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1N[C@H]1CCO[C@@H](C2CC2)C1 ZINC001593590361 1174158335 /nfs/dbraw/zinc/15/83/35/1174158335.db2.gz PITSLIMLGDSOFB-GXSJLCMTSA-N -1 1 287.327 1.026 20 0 CDADMM c1nc(N[C@@H]2C[C@H]2C2CCC2)cc(-c2nnn[n-]2)n1 ZINC001593591634 1174159267 /nfs/dbraw/zinc/15/92/67/1174159267.db2.gz RWRCVLFSQBJVKH-DTWKUNHWSA-N -1 1 257.301 1.257 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(N[C@H]2CC23CCCC3)n1 ZINC001593594820 1174161611 /nfs/dbraw/zinc/16/16/11/1174161611.db2.gz HEYGQDLITPHNGD-VIFPVBQESA-N -1 1 257.301 1.401 20 0 CDADMM Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)c(C(=O)[O-])[nH]1 ZINC001600272996 1174433985 /nfs/dbraw/zinc/43/39/85/1174433985.db2.gz KOVKBIFQXKVVLC-HTQZYQBOSA-N -1 1 274.280 1.487 20 0 CDADMM Cc1ccc(CC(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)o1 ZINC001600399491 1174463522 /nfs/dbraw/zinc/46/35/22/1174463522.db2.gz VLDHPYXWLCRWDP-NSHDSACASA-N -1 1 294.351 1.138 20 0 CDADMM Cc1coc(CN[C@@H](C[C@H]2CCCOC2)C(=O)[O-])c1 ZINC001600644419 1174549199 /nfs/dbraw/zinc/54/91/99/1174549199.db2.gz OTEZSNXYGGOVLY-YPMHNXCESA-N -1 1 267.325 1.948 20 0 CDADMM Cc1nc(CC(=O)Nc2sccc2C(=O)[O-])n[nH]1 ZINC001600671683 1174557648 /nfs/dbraw/zinc/55/76/48/1174557648.db2.gz UPWBSVHWAMRYDY-UHFFFAOYSA-N -1 1 266.282 1.054 20 0 CDADMM Cc1[nH]ncc1CNC(=O)NCc1cc(C(=O)[O-])co1 ZINC001600673998 1174558459 /nfs/dbraw/zinc/55/84/59/1174558459.db2.gz BVJUCCWGXUNOEF-UHFFFAOYSA-N -1 1 278.268 1.009 20 0 CDADMM Cc1nc(C)c(C(=O)N(C)c2nc(CC(=O)[O-])cs2)[nH]1 ZINC001600683531 1174561226 /nfs/dbraw/zinc/56/12/26/1174561226.db2.gz QHTDOGKYVXQUPJ-UHFFFAOYSA-N -1 1 294.336 1.387 20 0 CDADMM Cc1nc2cccc(C(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])c2[nH]1 ZINC001600721375 1174579130 /nfs/dbraw/zinc/57/91/30/1174579130.db2.gz XMWLOZJYYVSEHU-MWLCHTKSSA-N -1 1 287.319 1.854 20 0 CDADMM Cc1ncoc1CN1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001600758761 1174598689 /nfs/dbraw/zinc/59/86/89/1174598689.db2.gz YAYGSEMIXGVDJO-UHFFFAOYSA-N -1 1 291.311 1.110 20 0 CDADMM Cc1oc(Cn2cc(CNC3CC3)nn2)cc1C(=O)[O-] ZINC001600854130 1174645185 /nfs/dbraw/zinc/64/51/85/1174645185.db2.gz WWWXINZSKDIBBQ-UHFFFAOYSA-N -1 1 276.296 1.178 20 0 CDADMM Cn1c(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)ccc1C(=O)[O-] ZINC001600914103 1174660694 /nfs/dbraw/zinc/66/06/94/1174660694.db2.gz YQKLXJNXTZUCRP-XAAFQQQXSA-N -1 1 296.392 1.209 20 0 CDADMM CC1(C)CCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC000103590810 1174682503 /nfs/dbraw/zinc/68/25/03/1174682503.db2.gz NKFNLKAPBSLQDG-UHFFFAOYSA-N -1 1 258.329 1.888 20 0 CDADMM CC1(C)CCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC000103590810 1174682505 /nfs/dbraw/zinc/68/25/05/1174682505.db2.gz NKFNLKAPBSLQDG-UHFFFAOYSA-N -1 1 258.329 1.888 20 0 CDADMM NCc1ccc(C(=O)Nc2nc(CC(=O)[O-])cs2)o1 ZINC001601190630 1174783651 /nfs/dbraw/zinc/78/36/51/1174783651.db2.gz NGSOKNKTQMQPOB-UHFFFAOYSA-N -1 1 281.293 1.074 20 0 CDADMM NCc1nccnc1Sc1nc(C(=O)[O-])cs1 ZINC001601191912 1174784691 /nfs/dbraw/zinc/78/46/91/1174784691.db2.gz HZXTUXVVNUMYSP-UHFFFAOYSA-N -1 1 268.323 1.241 20 0 CDADMM O=C([O-])c1sccc1C(=O)NC12CCN(CC1)C2 ZINC001601434937 1174870759 /nfs/dbraw/zinc/87/07/59/1174870759.db2.gz RGDYHTGVSQZKCN-UHFFFAOYSA-N -1 1 266.322 1.024 20 0 CDADMM O=C([O-])[C@H]1CCC[C@@H]1NC(=O)c1[nH]nc2c1CCCCC2 ZINC001601441220 1174872555 /nfs/dbraw/zinc/87/25/55/1174872555.db2.gz XEZIJNLZGODNDP-QWRGUYRKSA-N -1 1 291.351 1.662 20 0 CDADMM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2cnns2)C1 ZINC001601727307 1174970892 /nfs/dbraw/zinc/97/08/92/1174970892.db2.gz MROQIUJJNUYRRW-CQSZACIVSA-N -1 1 289.360 1.766 20 0 CDADMM O=C([O-])C1=NO[C@@]2(CCN(C[C@@H](O)c3ccccc3)C2)C1 ZINC001601747051 1174980343 /nfs/dbraw/zinc/98/03/43/1174980343.db2.gz XTFNWKWSXPCJFS-HIFRSBDPSA-N -1 1 290.319 1.025 20 0 CDADMM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1ccc(CNCCF)cc1 ZINC001601781307 1175003852 /nfs/dbraw/zinc/00/38/52/1175003852.db2.gz NNKXGBZIIQTSIC-STQMWFEESA-N -1 1 294.326 1.083 20 0 CDADMM O=C([O-])[C@@H]1CCN1C(=O)c1cc(-c2ccccc2O)[nH]n1 ZINC001601832964 1175028381 /nfs/dbraw/zinc/02/83/81/1175028381.db2.gz DNEYDXCMOWWOOL-NSHDSACASA-N -1 1 287.275 1.081 20 0 CDADMM O=C([O-])CC1CC(NC(=O)c2cc3[nH]cnc3cc2F)C1 ZINC001601945221 1175079503 /nfs/dbraw/zinc/07/95/03/1175079503.db2.gz AHBNEACSVHGEGM-UHFFFAOYSA-N -1 1 291.282 1.685 20 0 CDADMM O=C([O-])c1cc(CN2CC(Cc3ccco3)C2)c[nH]1 ZINC001602257647 1175184979 /nfs/dbraw/zinc/18/49/79/1175184979.db2.gz WYJJHVDSUFLPBR-UHFFFAOYSA-N -1 1 260.293 1.980 20 0 CDADMM O=C([O-])c1cc(CNC[C@H](O)c2ccccc2F)on1 ZINC001602259452 1175187019 /nfs/dbraw/zinc/18/70/19/1175187019.db2.gz VCFOMLYXGSWOHO-LBPRGKRZSA-N -1 1 280.255 1.335 20 0 CDADMM O=C([O-])c1ccc(CN[C@@H]2C[C@@H](O)c3ccccc32)[nH]1 ZINC001602346437 1175219086 /nfs/dbraw/zinc/21/90/86/1175219086.db2.gz XSIAEQLKXODTOD-ZIAGYGMSSA-N -1 1 272.304 1.981 20 0 CDADMM O=C([O-])c1cccc2c1CN(C(=O)Cc1ccn[nH]1)CC2 ZINC001602458420 1175246872 /nfs/dbraw/zinc/24/68/72/1175246872.db2.gz OVTFRKHWCQBXRB-UHFFFAOYSA-N -1 1 285.303 1.235 20 0 CDADMM O=C([O-])c1ccccc1CN1CCc2cn[nH]c2C1 ZINC001602468852 1175250820 /nfs/dbraw/zinc/25/08/20/1175250820.db2.gz PXGQGBAFLXFMIF-UHFFFAOYSA-N -1 1 257.293 1.666 20 0 CDADMM O=C([O-])c1cnc(CNCC2(C3(O)CCC3)CC2)s1 ZINC001602521142 1175268958 /nfs/dbraw/zinc/26/89/58/1175268958.db2.gz MIPJCDNKASZJMM-UHFFFAOYSA-N -1 1 282.365 1.626 20 0 CDADMM O=C([O-])c1ncn(CN2CCCCCCCC2)n1 ZINC001602580144 1175304356 /nfs/dbraw/zinc/30/43/56/1175304356.db2.gz JRBWQVIPJRCHLG-UHFFFAOYSA-N -1 1 252.318 1.590 20 0 CDADMM O=C([O-])c1cncc(CN2CCNC(=O)CC23CCC3)c1 ZINC001602635179 1175333371 /nfs/dbraw/zinc/33/33/71/1175333371.db2.gz LETGISQTLLARCQ-UHFFFAOYSA-N -1 1 289.335 1.024 20 0 CDADMM CC(=O)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(C)C ZINC001602911244 1175449468 /nfs/dbraw/zinc/44/94/68/1175449468.db2.gz ACGZMQIXQFUYDC-SNVBAGLBSA-N -1 1 294.336 1.699 20 0 CDADMM CC(=O)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(C)C ZINC001602911244 1175449478 /nfs/dbraw/zinc/44/94/78/1175449478.db2.gz ACGZMQIXQFUYDC-SNVBAGLBSA-N -1 1 294.336 1.699 20 0 CDADMM C/C(=C/COC(=O)Cc1n[nH]c2c1CCCC2)C(=O)[O-] ZINC001602979213 1175470439 /nfs/dbraw/zinc/47/04/39/1175470439.db2.gz BKQIIJCUUGHSEX-TWGQIWQCSA-N -1 1 278.308 1.405 20 0 CDADMM C[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)o1)[C@@H]1CCCO1 ZINC001603037442 1175480069 /nfs/dbraw/zinc/48/00/69/1175480069.db2.gz OXIDUZBBHASZBJ-SCZZXKLOSA-N -1 1 292.295 1.318 20 0 CDADMM C[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)o1)[C@@H]1CCCO1 ZINC001603037442 1175480074 /nfs/dbraw/zinc/48/00/74/1175480074.db2.gz OXIDUZBBHASZBJ-SCZZXKLOSA-N -1 1 292.295 1.318 20 0 CDADMM CC(C)(C)CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001603077645 1175487731 /nfs/dbraw/zinc/48/77/31/1175487731.db2.gz WCPRGVYZRRKGBR-UHFFFAOYSA-N -1 1 277.303 1.782 20 0 CDADMM CC(C)(C)CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001603077645 1175487733 /nfs/dbraw/zinc/48/77/33/1175487733.db2.gz WCPRGVYZRRKGBR-UHFFFAOYSA-N -1 1 277.303 1.782 20 0 CDADMM CC(C)(C)OCCCOc1cccnc1-c1nnn[n-]1 ZINC001603102690 1175491800 /nfs/dbraw/zinc/49/18/00/1175491800.db2.gz UHBDGWTXTBJIEE-UHFFFAOYSA-N -1 1 277.328 1.846 20 0 CDADMM CC(C)(C)OCCCOc1cccnc1-c1nn[n-]n1 ZINC001603102690 1175491803 /nfs/dbraw/zinc/49/18/03/1175491803.db2.gz UHBDGWTXTBJIEE-UHFFFAOYSA-N -1 1 277.328 1.846 20 0 CDADMM C[C@H](C(=O)N(C)C)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001603133948 1175497652 /nfs/dbraw/zinc/49/76/52/1175497652.db2.gz PTSNJGOZJYUEQG-LLVKDONJSA-N -1 1 294.351 1.059 20 0 CDADMM CC(C)COC1CN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001603299764 1175534065 /nfs/dbraw/zinc/53/40/65/1175534065.db2.gz VXHCAQKYHDMDKO-UHFFFAOYSA-N -1 1 274.328 1.123 20 0 CDADMM CC(C)COC1CN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001603299764 1175534069 /nfs/dbraw/zinc/53/40/69/1175534069.db2.gz VXHCAQKYHDMDKO-UHFFFAOYSA-N -1 1 274.328 1.123 20 0 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CDADMM CSc1nc(=O)[nH]c(C)c1C(=O)Nc1c(C)[n-][nH]c1=O ZINC001363375923 972123147 /nfs/dbraw/zinc/12/31/47/972123147.db2.gz FVYVRLMVKYENGT-UHFFFAOYSA-N -1 1 295.324 1.202 20 0 CDADMM Cn1ncc(C(=O)[O-])c1CNCc1ccc2c(c1)COC2 ZINC001594583507 955992699 /nfs/dbraw/zinc/99/26/99/955992699.db2.gz QTMKFTYOALVTSR-UHFFFAOYSA-N -1 1 287.319 1.438 20 0 CDADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)N(C)C ZINC001365426859 956025732 /nfs/dbraw/zinc/02/57/32/956025732.db2.gz CCZNGKVBNQJMCW-YUMQZZPRSA-N -1 1 281.278 1.199 20 0 CDADMM Cc1coc(C(=O)NC2(c3nn[n-]n3)CCC2)c1C ZINC001303221370 956068098 /nfs/dbraw/zinc/06/80/98/956068098.db2.gz HDXPNKJGIPPZFK-UHFFFAOYSA-N -1 1 261.285 1.219 20 0 CDADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H](C)C(C)(C)O)c1 ZINC001304883127 956230947 /nfs/dbraw/zinc/23/09/47/956230947.db2.gz BAEFSEZWYHHJEX-VIFPVBQESA-N -1 1 265.309 1.402 20 0 CDADMM COc1cccnc1CNC(=O)c1ccc([O-])c(F)c1 ZINC001363454357 972179739 /nfs/dbraw/zinc/17/97/39/972179739.db2.gz LWRDVVDOFPQSQW-UHFFFAOYSA-N -1 1 276.267 1.865 20 0 CDADMM N[C@@H](CC(=O)[O-])c1noc(-c2cc3c(s2)CCOC3)n1 ZINC001594660693 956532538 /nfs/dbraw/zinc/53/25/38/956532538.db2.gz MCZNXVNZWLLWNN-ZETCQYMHSA-N -1 1 295.320 1.345 20 0 CDADMM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc(F)cc(F)c1O ZINC001589184767 956555268 /nfs/dbraw/zinc/55/52/68/956555268.db2.gz DBXNAXIGHCUZQJ-ZDUSSCGKSA-N -1 1 285.246 1.750 20 0 CDADMM CC1(C(=O)[O-])CCN(CN2CCSC2=S)CC1 ZINC001589198961 956625788 /nfs/dbraw/zinc/62/57/88/956625788.db2.gz JOTNIFWWKSLCAA-UHFFFAOYSA-N -1 1 274.411 1.464 20 0 CDADMM O=C([O-])c1ccccc1CNC(=O)CCN1CC[C@H](F)C1 ZINC001594686633 956712715 /nfs/dbraw/zinc/71/27/15/956712715.db2.gz AHZTULDQMIEHME-LBPRGKRZSA-N -1 1 294.326 1.435 20 0 CDADMM CCc1nc([N-]C(=O)c2ncoc2-c2ccon2)n[nH]1 ZINC001331164671 956861240 /nfs/dbraw/zinc/86/12/40/956861240.db2.gz ITYCVLJLOVXLJD-UHFFFAOYSA-N -1 1 274.240 1.262 20 0 CDADMM O=C([O-])[C@@H](CNC(=O)c1cccc2nc[nH]c21)C1CCC1 ZINC001594736041 957070597 /nfs/dbraw/zinc/07/05/97/957070597.db2.gz LFQKWSFRJKSDLD-NSHDSACASA-N -1 1 287.319 1.794 20 0 CDADMM CN(C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12)c1nn[n-]n1 ZINC001331482083 957096683 /nfs/dbraw/zinc/09/66/83/957096683.db2.gz MJMBIKAWPFTMMK-GARJFASQSA-N -1 1 263.345 1.769 20 0 CDADMM COc1ccc(-n2[nH]c(C)c(CC(=O)[O-])c2=O)cc1 ZINC000062986634 957632195 /nfs/dbraw/zinc/63/21/95/957632195.db2.gz VPKNCWRQRNZKGV-LLVKDONJSA-N -1 1 262.265 1.509 20 0 CDADMM Cc1cc(C(=O)[O-])cc(C(=O)N(C)CC2CN(C)C2)c1 ZINC001594281619 957751389 /nfs/dbraw/zinc/75/13/89/957751389.db2.gz XSMSOSNNUMWTGF-UHFFFAOYSA-N -1 1 276.336 1.327 20 0 CDADMM O=C([O-])[C@@]12COC[C@@H]1CN(C/C(Cl)=C/Cl)C2 ZINC001574777767 957779486 /nfs/dbraw/zinc/77/94/86/957779486.db2.gz QYDUUJXIZRLACD-HTOPYLBOSA-N -1 1 266.124 1.338 20 0 CDADMM CC(C)CC(=O)NC[C@H](C)N(C)C(=O)c1ncccc1[O-] ZINC001426566106 957988450 /nfs/dbraw/zinc/98/84/50/957988450.db2.gz NXPVUQJFCXYOBL-NSHDSACASA-N -1 1 293.367 1.410 20 0 CDADMM CCN(C(=O)c1ccc(CN)o1)C(C)(C)C(=O)[O-] ZINC000094571505 958294734 /nfs/dbraw/zinc/29/47/34/958294734.db2.gz DKCDPQZQGOGNOW-UHFFFAOYSA-N -1 1 254.286 1.064 20 0 CDADMM CC(C)(C)N1CCN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000111473414 958435580 /nfs/dbraw/zinc/43/55/80/958435580.db2.gz AXDNZBLJACEIPH-QWHCGFSZSA-N -1 1 296.411 1.820 20 0 CDADMM CCCC(=O)NC1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC001428467196 958572124 /nfs/dbraw/zinc/57/21/24/958572124.db2.gz MXTGSUFWZBACBC-UHFFFAOYSA-N -1 1 291.351 1.307 20 0 CDADMM CN1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1(C)C ZINC000165479361 959282497 /nfs/dbraw/zinc/28/24/97/959282497.db2.gz NANSIYYBSMERKA-UHFFFAOYSA-N -1 1 297.399 1.367 20 0 CDADMM C[C@H](c1nc([C@@H](N)CC(=O)[O-])no1)c1ccccc1 ZINC001594212409 959302173 /nfs/dbraw/zinc/30/21/73/959302173.db2.gz OCUJOIFEEICEDU-WPRPVWTQSA-N -1 1 261.281 1.696 20 0 CDADMM Cc1nnc([C@@H](C)OC(=O)[C@]2(C(=O)[O-])CC2(C)C)[nH]1 ZINC001594443187 959303288 /nfs/dbraw/zinc/30/32/88/959303288.db2.gz SKDVWLJIZSSMRH-SREIQFSDSA-N -1 1 267.285 1.218 20 0 CDADMM Cc1nnc([C@H](C)OC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)[nH]1 ZINC001594443317 959304326 /nfs/dbraw/zinc/30/43/26/959304326.db2.gz VOOORVXYQZAJGA-CNUIFLNQSA-N -1 1 267.285 1.218 20 0 CDADMM CCOCC[C@@H](NCc1cc2cnccc2o1)C(=O)[O-] ZINC001334851981 959410510 /nfs/dbraw/zinc/41/05/10/959410510.db2.gz BPAYECZWSFEQFV-GFCCVEGCSA-N -1 1 278.308 1.797 20 0 CDADMM CC(C)(C)[S@](=O)CCNCc1ccc(C(=O)[O-])cn1 ZINC001335318323 959705775 /nfs/dbraw/zinc/70/57/75/959705775.db2.gz GACOEELRDNWLQX-LJQANCHMSA-N -1 1 284.381 1.417 20 0 CDADMM Cc1nc([C@@H](C)NC(=O)c2coc(C=CC(=O)[O-])c2)n[nH]1 ZINC001594491025 959706782 /nfs/dbraw/zinc/70/67/82/959706782.db2.gz VYADYUXEODNFSV-KFOINNEUSA-N -1 1 290.279 1.295 20 0 CDADMM C[C@@H]1[C@@H](C)N(C(=O)[C@H]2CC[C@H]2C(=O)[O-])[C@@H](C)CN1C ZINC001573689590 959760765 /nfs/dbraw/zinc/76/07/65/959760765.db2.gz CJQOBEABTHMATQ-MTVMDMGHSA-N -1 1 268.357 1.037 20 0 CDADMM C[C@@H]1[C@H](C)N(C(=O)C2(C(=O)[O-])CCCCCC2)CCN1C ZINC001573690925 959778858 /nfs/dbraw/zinc/77/88/58/959778858.db2.gz QNPMPEGLAJNMQR-OLZOCXBDSA-N -1 1 296.411 1.963 20 0 CDADMM CC(C)CNC(=O)CNCc1ccc(C(=O)[O-])cc1 ZINC000228691197 960038308 /nfs/dbraw/zinc/03/83/08/960038308.db2.gz JQFZJVNAGARKDJ-UHFFFAOYSA-N -1 1 264.325 1.247 20 0 CDADMM Cc1oc(CN2CC[C@H](O)[C@@H](C)C2)cc1C(=O)[O-] ZINC000229393850 960082669 /nfs/dbraw/zinc/08/26/69/960082669.db2.gz AKEDWMYAQJEGBU-UFBFGSQYSA-N -1 1 253.298 1.489 20 0 CDADMM Cc1ccc([C@H](N)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000230838338 960168946 /nfs/dbraw/zinc/16/89/46/960168946.db2.gz BINDWMOKAZWDQA-ZDUSSCGKSA-N -1 1 276.336 1.318 20 0 CDADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)CC1(C)CC1 ZINC001433454629 960339650 /nfs/dbraw/zinc/33/96/50/960339650.db2.gz OYKZSXCMDJFTDU-SNVBAGLBSA-N -1 1 291.351 1.212 20 0 CDADMM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC001573739144 960475290 /nfs/dbraw/zinc/47/52/90/960475290.db2.gz PGCXRHNTGQIWCK-KSBSHMNSSA-N -1 1 289.295 1.136 20 0 CDADMM C[C@]1(C(=O)[O-])CCN(C(=O)c2c(O)cccc2F)C1 ZINC000235772221 960492841 /nfs/dbraw/zinc/49/28/41/960492841.db2.gz KLOSNFGZDHITGP-ZDUSSCGKSA-N -1 1 267.256 1.468 20 0 CDADMM O=C([O-])Cc1cccc(NC(=O)CCN2CC[C@H](F)C2)n1 ZINC001571055211 960714101 /nfs/dbraw/zinc/71/41/01/960714101.db2.gz RILWJHBQZQJWHC-JTQLQIEISA-N -1 1 295.314 1.081 20 0 CDADMM O=C(NC[C@H](O)Cc1cccc(F)c1)c1cncc([O-])c1 ZINC001434031279 960906474 /nfs/dbraw/zinc/90/64/74/960906474.db2.gz QEMIFJPAPGIAIG-CYBMUJFWSA-N -1 1 290.294 1.260 20 0 CDADMM CNC(=O)c1c(C)[nH]nc1NC(=O)c1ccc(F)c([O-])c1 ZINC001418732403 960953018 /nfs/dbraw/zinc/95/30/18/960953018.db2.gz IPEGHQIRANRTRA-UHFFFAOYSA-N -1 1 292.270 1.175 20 0 CDADMM C[C@@H]1CC[C@@H](C(=O)NC2(c3nn[n-]n3)CCC2)C[C@H]1C ZINC001434358372 961199120 /nfs/dbraw/zinc/19/91/20/961199120.db2.gz AZPWTMQKTUJNMR-GMTAPVOTSA-N -1 1 277.372 1.767 20 0 CDADMM CCN1CCN(Cc2cc(C)c(C(=O)[O-])o2)C[C@H]1C ZINC000250453172 961218824 /nfs/dbraw/zinc/21/88/24/961218824.db2.gz ZUBLBGVVHSGNGZ-LLVKDONJSA-N 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-1 1 290.363 1.415 20 0 CDADMM CC(C)N1CCO[C@H](COC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC001588923273 962414474 /nfs/dbraw/zinc/41/44/74/962414474.db2.gz PIFXHBZZQNBODC-XQQFMLRXSA-N -1 1 299.367 1.140 20 0 CDADMM CC(C)c1nc([C@@H](C)NC(=O)[C@H](C(=O)[O-])C2CC2)n[nH]1 ZINC001588975447 962691983 /nfs/dbraw/zinc/69/19/83/962691983.db2.gz XXRWDTMSUIXWKN-VXNVDRBHSA-N -1 1 280.328 1.216 20 0 CDADMM C[C@H](CC(=O)[O-])NC(=O)NC[C@H](c1ccsc1)N(C)C ZINC001588997788 962868063 /nfs/dbraw/zinc/86/80/63/962868063.db2.gz GFHYUCZVLJTMSL-MWLCHTKSSA-N -1 1 299.396 1.513 20 0 CDADMM Cc1oc(C(=O)[O-])cc1CN1CC[C@@H](O)C(C)(C)C1 ZINC000302656909 963101287 /nfs/dbraw/zinc/10/12/87/963101287.db2.gz XCHNJSHEEUHNDI-GFCCVEGCSA-N -1 1 267.325 1.879 20 0 CDADMM CCN1[C@H](C)CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C[C@@H]1C ZINC001570992500 963160750 /nfs/dbraw/zinc/16/07/50/963160750.db2.gz MOBIWFCUPGCIDG-WHOHXGKFSA-N -1 1 268.357 1.038 20 0 CDADMM C[C@H](C(=O)[O-])c1ccc(NC(=O)Nc2c[nH]nn2)cc1 ZINC001571002177 963222148 /nfs/dbraw/zinc/22/21/48/963222148.db2.gz QCTAGMQYIBWUOG-ZETCQYMHSA-N -1 1 275.268 1.637 20 0 CDADMM Cc1cc(CCC(=O)N2CCC[C@](C)(C(=O)[O-])C2)n[nH]1 ZINC001571009611 963272785 /nfs/dbraw/zinc/27/27/85/963272785.db2.gz NXDWAZWLVMHSMF-AWEZNQCLSA-N -1 1 279.340 1.364 20 0 CDADMM Cc1cc(CN2CC[C@@H](O)C(C)(C)C2)oc1C(=O)[O-] ZINC000311983203 963526386 /nfs/dbraw/zinc/52/63/86/963526386.db2.gz MDZDCOXYHATJGS-LLVKDONJSA-N -1 1 267.325 1.879 20 0 CDADMM O=C(OCc1nn[n-]n1)C1C2CC3CC(C2)CC1C3 ZINC001345163631 964612616 /nfs/dbraw/zinc/61/26/16/964612616.db2.gz WQRWMMKSEIZDEK-UHFFFAOYSA-N -1 1 262.313 1.315 20 0 CDADMM Cc1cc(NC(=O)c2c(C)[nH]c(=O)[n-]c2=S)n(C)n1 ZINC001346294886 965034058 /nfs/dbraw/zinc/03/40/58/965034058.db2.gz SYSKCPHWYLLPSI-UHFFFAOYSA-N -1 1 279.325 1.074 20 0 CDADMM CO[C@H](CNC(=O)c1c(C)[nH]c(=O)[n-]c1=S)CC(C)C ZINC001347036476 965343925 /nfs/dbraw/zinc/34/39/25/965343925.db2.gz JGGUREZFELSKFH-VIFPVBQESA-N -1 1 299.396 1.570 20 0 CDADMM COc1ccc(-n2ccc(C(=O)Nc3c[n-][nH]c3=O)n2)cc1 ZINC001558988179 965385333 /nfs/dbraw/zinc/38/53/33/965385333.db2.gz FPOFNRYNOLICCP-UHFFFAOYSA-N -1 1 299.290 1.562 20 0 CDADMM Cc1ccnc(C(=O)N2CCC[C@@H](CCO)CC2)c1[O-] ZINC001550386268 965905387 /nfs/dbraw/zinc/90/53/87/965905387.db2.gz LFVCDKRISVPAMV-GFCCVEGCSA-N -1 1 278.352 1.720 20 0 CDADMM CC(C)c1nn(-c2ccccc2)cc1C(=O)Nc1nnn[n-]1 ZINC001444631969 965906661 /nfs/dbraw/zinc/90/66/61/965906661.db2.gz XCFPNBQGAGEXKB-UHFFFAOYSA-N -1 1 297.322 1.761 20 0 CDADMM CC(C)c1nn(-c2ccccc2)cc1C(=O)Nc1nn[n-]n1 ZINC001444631969 965906667 /nfs/dbraw/zinc/90/66/67/965906667.db2.gz XCFPNBQGAGEXKB-UHFFFAOYSA-N -1 1 297.322 1.761 20 0 CDADMM CC1(C)CN(C(=O)c2cnncc2[O-])[C@H]1[C@@H]1CCCO1 ZINC001550789627 966207068 /nfs/dbraw/zinc/20/70/68/966207068.db2.gz GBULRHBVJJGDJJ-RYUDHWBXSA-N -1 1 277.324 1.212 20 0 CDADMM Cc1c[nH]c(NC(=O)c2cnc(C3CC3)[n-]c2=O)n1 ZINC001445644657 966264638 /nfs/dbraw/zinc/26/46/38/966264638.db2.gz AFMAAAAPCSKYKL-UHFFFAOYSA-N -1 1 259.269 1.343 20 0 CDADMM O=C(c1ccc(F)c([O-])c1)N1CCc2c[nH]nc2C1 ZINC001446590478 966591751 /nfs/dbraw/zinc/59/17/51/966591751.db2.gz VYYCMSZIPMFQMT-UHFFFAOYSA-N -1 1 261.256 1.453 20 0 CDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CC2(C)CC2)CC1 ZINC001350778759 966760515 /nfs/dbraw/zinc/76/05/15/966760515.db2.gz QNWPDLHRLVOQPW-NSHDSACASA-N -1 1 268.357 1.184 20 0 CDADMM O=C([O-])[C@@H]1C=C[C@H](NCc2cccnc2Br)C1 ZINC001351740985 966987604 /nfs/dbraw/zinc/98/76/04/966987604.db2.gz BKJLXRUMSBOYCO-SCZZXKLOSA-N -1 1 297.152 1.963 20 0 CDADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])NCc1ccon1 ZINC001448662223 967196841 /nfs/dbraw/zinc/19/68/41/967196841.db2.gz XPXPAVQUGYRHSI-JTQLQIEISA-N -1 1 290.323 1.026 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2cnn(Cc3ccncc3)c2)c1[O-] ZINC001542688804 967241504 /nfs/dbraw/zinc/24/15/04/967241504.db2.gz OIIGUSJRHHCOQJ-UHFFFAOYSA-N -1 1 298.306 1.316 20 0 CDADMM CCC(CC)(NC(=O)COc1ccsc1)c1nn[n-]n1 ZINC001449016418 967334163 /nfs/dbraw/zinc/33/41/63/967334163.db2.gz RBQYQLYKXYZCIJ-UHFFFAOYSA-N -1 1 295.368 1.472 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2cc(-c3cccnc3)[nH]n2)c1[O-] ZINC001353251369 967823471 /nfs/dbraw/zinc/82/34/71/967823471.db2.gz BMQULFAGWLLJLM-UHFFFAOYSA-N -1 1 284.279 1.461 20 0 CDADMM COc1cc(C(=O)N2CC([C@H](C)O)C2)cc(Cl)c1[O-] ZINC001548756426 967824027 /nfs/dbraw/zinc/82/40/27/967824027.db2.gz TZTFMKPZGNPRCJ-ZETCQYMHSA-N -1 1 285.727 1.507 20 0 CDADMM COCCn1cc(C(=O)Nc2cc([O-])c(F)cc2F)cn1 ZINC001450894503 967831473 /nfs/dbraw/zinc/83/14/73/967831473.db2.gz HJYHGGRZJHPNLB-UHFFFAOYSA-N -1 1 297.261 1.766 20 0 CDADMM C[C@@H]1Cc2cccc(C(=O)N3CC[C@@H](c4nn[n-]n4)C3)c2O1 ZINC001548763426 967839452 /nfs/dbraw/zinc/83/94/52/967839452.db2.gz YQJMJKDLZTVXKA-MWLCHTKSSA-N -1 1 299.334 1.153 20 0 CDADMM CCCc1ccc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)cc1 ZINC001548766352 967849310 /nfs/dbraw/zinc/84/93/10/967849310.db2.gz BPYYHFLJSPCCDU-CYBMUJFWSA-N -1 1 285.351 1.782 20 0 CDADMM O=C(N[C@@H](CO)c1cccnc1)c1ccc([O-])cc1F ZINC001451761149 968004531 /nfs/dbraw/zinc/00/45/31/968004531.db2.gz RCILFQRHLVZWGA-ZDUSSCGKSA-N -1 1 276.267 1.390 20 0 CDADMM Nc1noc2cc(CNC(=O)c3ncccc3[O-])ccc12 ZINC001451852395 968018968 /nfs/dbraw/zinc/01/89/68/968018968.db2.gz AMOWSOKNJYBDSP-UHFFFAOYSA-N -1 1 284.275 1.441 20 0 CDADMM CCC(=O)N[C@H](C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001452323551 968100830 /nfs/dbraw/zinc/10/08/30/968100830.db2.gz ZZJIKHMDMDXRPR-ZJUUUORDSA-N -1 1 279.340 1.210 20 0 CDADMM Cc1cc([C@H](C)NCCS(=O)(=O)CC(=O)[O-])c(C)o1 ZINC000388313327 968151831 /nfs/dbraw/zinc/15/18/31/968151831.db2.gz JUGBHIJMWPPTMG-VIFPVBQESA-N -1 1 289.353 1.046 20 0 CDADMM CCc1nnc(CNC2CCC(C(=O)[O-])CC2)s1 ZINC000391940031 968195307 /nfs/dbraw/zinc/19/53/07/968195307.db2.gz UWPRAMQYCGMQMU-UHFFFAOYSA-N -1 1 269.370 1.834 20 0 CDADMM O=C([O-])Cn1cc(CN2CCC[C@H]3CCC[C@H]32)nn1 ZINC001353900177 968323910 /nfs/dbraw/zinc/32/39/10/968323910.db2.gz VDIGGQVQZVUFPM-ZYHUDNBSSA-N -1 1 264.329 1.127 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H](C)C1CC1 ZINC001528471618 968858940 /nfs/dbraw/zinc/85/89/40/968858940.db2.gz YMTFAWHDTOVEDH-YFKPBYRVSA-N -1 1 253.327 1.308 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CC[C@@H](CCCO)C1 ZINC001528482836 968859202 /nfs/dbraw/zinc/85/92/02/968859202.db2.gz AOUMKHOEGISOGU-SECBINFHSA-N -1 1 297.380 1.014 20 0 CDADMM O=C(COc1ccc(F)cc1F)Nc1c[n-][nH]c1=O ZINC001457818590 969225453 /nfs/dbraw/zinc/22/54/53/969225453.db2.gz CMIQGDFCNCOSNP-UHFFFAOYSA-N -1 1 269.207 1.411 20 0 CDADMM CC[C@@H](C)C(=O)NC[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001532112145 969320506 /nfs/dbraw/zinc/32/05/06/969320506.db2.gz AOJGJXVNFNORFQ-WDEREUQCSA-N -1 1 293.367 1.315 20 0 CDADMM COC(=O)c1cc([N-]C(=O)c2nc(Cl)cs2)on1 ZINC001460275529 969495493 /nfs/dbraw/zinc/49/54/93/969495493.db2.gz ORDODRSRJIMZQQ-UHFFFAOYSA-N -1 1 287.684 1.823 20 0 CDADMM CO[C@@H]1CCC[C@@H]1C(=O)[N-]OCCC(F)(F)F ZINC001358149006 969702704 /nfs/dbraw/zinc/70/27/04/969702704.db2.gz UYWZOLVEDUSWPL-JGVFFNPUSA-N -1 1 255.236 1.802 20 0 CDADMM Cc1cc(CNC(=O)c2cccc([O-])c2F)on1 ZINC001464487638 969790344 /nfs/dbraw/zinc/79/03/44/969790344.db2.gz QSMPOMJTGFTEQE-UHFFFAOYSA-N -1 1 250.229 1.758 20 0 CDADMM C[C@@H](NC(=O)C1(N(C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573611260 969822579 /nfs/dbraw/zinc/82/25/79/969822579.db2.gz KDTXPJLOJBUJAM-OUAUKWLOSA-N -1 1 282.384 1.332 20 0 CDADMM CSc1ncc(C(=O)Nc2ccncc2C)c(=O)[n-]1 ZINC001464910635 969832391 /nfs/dbraw/zinc/83/23/91/969832391.db2.gz LFKCLNMLICQKPD-UHFFFAOYSA-N -1 1 276.321 1.282 20 0 CDADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)C1CC2(CC2)C1 ZINC001465208387 969853309 /nfs/dbraw/zinc/85/33/09/969853309.db2.gz IRWPGTAKAQJBQB-UHFFFAOYSA-N -1 1 299.334 1.907 20 0 CDADMM Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)c1ccc(F)c([O-])c1 ZINC001465651014 969887222 /nfs/dbraw/zinc/88/72/22/969887222.db2.gz ZZBYFVAVUOFJHR-UHFFFAOYSA-N -1 1 279.227 1.293 20 0 CDADMM O=C(NCc1ccc(O)c(F)c1)c1ccc([O-])cn1 ZINC001465956848 969908980 /nfs/dbraw/zinc/90/89/80/969908980.db2.gz TXDWBOVOHJXXSX-UHFFFAOYSA-N -1 1 262.240 1.562 20 0 CDADMM CN(Cc1ncon1)C(=O)c1cc(Cl)ccc1[O-] ZINC001466527999 969970350 /nfs/dbraw/zinc/97/03/50/969970350.db2.gz VOFPCVGMOYESPH-UHFFFAOYSA-N -1 1 267.672 1.701 20 0 CDADMM C[C@H](CN(C)C(=O)c1[nH]cnc1C(C)(C)C)c1nn[n-]n1 ZINC001466677757 969984056 /nfs/dbraw/zinc/98/40/56/969984056.db2.gz OSGHHXXIUQZCIW-MRVPVSSYSA-N -1 1 291.359 1.096 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC001518740885 970036379 /nfs/dbraw/zinc/03/63/79/970036379.db2.gz BIKNUQHECXIUPW-YUMQZZPRSA-N -1 1 281.381 1.897 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N(C)C[C@@H]1CCCCO1 ZINC001518995709 970052706 /nfs/dbraw/zinc/05/27/06/970052706.db2.gz GFCMKCFZDQIHCJ-VIFPVBQESA-N -1 1 297.380 1.420 20 0 CDADMM O=C(OCc1nn[n-]n1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001519441731 970082647 /nfs/dbraw/zinc/08/26/47/970082647.db2.gz KACWAFKGUDCFRP-BQBZGAKWSA-N -1 1 298.224 1.464 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC001468548576 970175985 /nfs/dbraw/zinc/17/59/85/970175985.db2.gz MJKMTUZWECYXSY-UHFFFAOYSA-N -1 1 287.279 1.268 20 0 CDADMM CCN(C(=O)c1cc(F)ccc1[O-])c1cnn(C)c1 ZINC001469559123 970254099 /nfs/dbraw/zinc/25/40/99/970254099.db2.gz KNRWRXRYFUPJEG-UHFFFAOYSA-N -1 1 263.272 1.932 20 0 CDADMM C[C@@H](C(=O)[O-])c1noc(-c2ccc(-c3nnc[nH]3)cc2)n1 ZINC001609717732 970491417 /nfs/dbraw/zinc/49/14/17/970491417.db2.gz BNEMIFSZFIRBQU-SSDOTTSWSA-N -1 1 285.263 1.710 20 0 CDADMM C[C@H](C(=O)[O-])c1noc(-c2cc(-c3ccoc3)n[nH]2)n1 ZINC001609717907 970494128 /nfs/dbraw/zinc/49/41/28/970494128.db2.gz GAXNOPBRXLTGAG-LURJTMIESA-N -1 1 274.236 1.908 20 0 CDADMM COc1cc(C(=O)Nc2c[n-][nH]c2=O)cc2c1O[C@H](C)C2 ZINC001472569296 970666929 /nfs/dbraw/zinc/66/69/29/970666929.db2.gz BDVYOVJGPRBLAQ-SSDOTTSWSA-N -1 1 289.291 1.700 20 0 CDADMM COC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1c[n-][nH]c1=O ZINC001472569943 970667136 /nfs/dbraw/zinc/66/71/36/970667136.db2.gz MUBGGFKCDYUEFX-JGVFFNPUSA-N -1 1 267.285 1.033 20 0 CDADMM Cc1nc([N-]C(=O)c2coc(-c3cccnc3)n2)nn1C ZINC001523689184 970744606 /nfs/dbraw/zinc/74/46/06/970744606.db2.gz DROUZZFVINBGNH-UHFFFAOYSA-N -1 1 284.279 1.426 20 0 CDADMM O=C([O-])[C@@H](N[C@H](c1nnc[nH]1)c1ccccc1)C1CC1 ZINC001605903279 972744841 /nfs/dbraw/zinc/74/48/41/972744841.db2.gz GGTTYZCCNMFCPV-RYUDHWBXSA-N -1 1 272.308 1.347 20 0 CDADMM O=C([O-])[C@H](Sc1nc(-c2cccnc2)n[nH]1)C1CC1 ZINC001605910644 972775026 /nfs/dbraw/zinc/77/50/26/972775026.db2.gz XHOQCXXBEUJBLH-SECBINFHSA-N -1 1 276.321 1.822 20 0 CDADMM COC[C@@H]1CCCCN1Cc1cc(C(=O)[O-])co1 ZINC000396082613 972852473 /nfs/dbraw/zinc/85/24/73/972852473.db2.gz VXGGJYQTCHPZDF-NSHDSACASA-N -1 1 253.298 1.979 20 0 CDADMM O=C([O-])C1(CCN2CCOC[C@@H]2CC(F)F)CCC1 ZINC001605950017 972904970 /nfs/dbraw/zinc/90/49/70/972904970.db2.gz GEFXTHPNSMWZOR-JTQLQIEISA-N -1 1 277.311 1.987 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@H]1CCc2nc[nH]c2C1 ZINC001603380705 972951638 /nfs/dbraw/zinc/95/16/38/972951638.db2.gz IKGQUSSEHWZJAT-VWYCJHECSA-N -1 1 291.351 1.226 20 0 CDADMM CCN(CC)Cc1ccc(C(=O)NC2(CC(=O)[O-])CC2)o1 ZINC000398377658 973130928 /nfs/dbraw/zinc/13/09/28/973130928.db2.gz LXFKJKARAIHYLJ-UHFFFAOYSA-N -1 1 294.351 1.859 20 0 CDADMM NC(=O)c1ccccc1NC(=O)c1cccc([O-])c1F ZINC001417600198 973184210 /nfs/dbraw/zinc/18/42/10/973184210.db2.gz XZNQRHCVXQVGJR-UHFFFAOYSA-N -1 1 274.251 1.883 20 0 CDADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)[C@H]1C[C@@H]1C1CC1 ZINC001417644505 973233174 /nfs/dbraw/zinc/23/31/74/973233174.db2.gz JNRFERLOQXLILL-OLZOCXBDSA-N -1 1 299.334 1.763 20 0 CDADMM C[C@H]1OCC[C@]12CN(Cc1ccc(C(=O)[O-])cc1)CCO2 ZINC001603480575 973386899 /nfs/dbraw/zinc/38/68/99/973386899.db2.gz XPUXZMSDQFVJEY-WBMJQRKESA-N -1 1 291.347 1.765 20 0 CDADMM CC1=NO[C@@](C)(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)C1 ZINC001417815994 973401511 /nfs/dbraw/zinc/40/15/11/973401511.db2.gz JLOZNCVJNLXRIG-CYBMUJFWSA-N -1 1 294.311 1.036 20 0 CDADMM C[C@@H](CC(=O)[O-])CC(=O)N1CCN(C2CC2)C[C@@H]1C ZINC000402505084 973612172 /nfs/dbraw/zinc/61/21/72/973612172.db2.gz 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OZCGBJDOYHITEK-NSHDSACASA-N -1 1 286.339 1.570 20 0 CDADMM CC1(C)CCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820590023 606119935 /nfs/dbraw/zinc/11/99/35/606119935.db2.gz OZCGBJDOYHITEK-NSHDSACASA-N -1 1 286.339 1.570 20 0 CDADMM CC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819783419 606135835 /nfs/dbraw/zinc/13/58/35/606135835.db2.gz XBEULNKSZFFQQO-LURJTMIESA-N -1 1 266.282 1.063 20 0 CDADMM CC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819783419 606135836 /nfs/dbraw/zinc/13/58/36/606135836.db2.gz XBEULNKSZFFQQO-LURJTMIESA-N -1 1 266.282 1.063 20 0 CDADMM CO[C@@H](C)CCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821673572 606180517 /nfs/dbraw/zinc/18/05/17/606180517.db2.gz FUOINUWNAGEESQ-ZETCQYMHSA-N -1 1 282.325 1.510 20 0 CDADMM CO[C@@H](C)CCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821673572 606180518 /nfs/dbraw/zinc/18/05/18/606180518.db2.gz FUOINUWNAGEESQ-ZETCQYMHSA-N -1 1 282.325 1.510 20 0 CDADMM CC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)CCO1 ZINC000820988880 606522856 /nfs/dbraw/zinc/52/28/56/606522856.db2.gz IPRXPROWVJHTAE-QMMMGPOBSA-N -1 1 293.352 1.179 20 0 CDADMM CC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000820988880 606522858 /nfs/dbraw/zinc/52/28/58/606522858.db2.gz IPRXPROWVJHTAE-QMMMGPOBSA-N -1 1 293.352 1.179 20 0 CDADMM Fc1cccc(Cl)c1Cn1ccnc1-c1nnn[n-]1 ZINC000822787098 606655389 /nfs/dbraw/zinc/65/53/89/606655389.db2.gz VLMONHQSUUWEBC-UHFFFAOYSA-N -1 1 278.678 1.904 20 0 CDADMM Fc1cccc(Cl)c1Cn1ccnc1-c1nn[n-]n1 ZINC000822787098 606655390 /nfs/dbraw/zinc/65/53/90/606655390.db2.gz VLMONHQSUUWEBC-UHFFFAOYSA-N -1 1 278.678 1.904 20 0 CDADMM Cc1c(NC(=O)c2ccc(-c3nnn[n-]3)s2)cnn1C ZINC000822108901 606827223 /nfs/dbraw/zinc/82/72/23/606827223.db2.gz LVIYVFQAADKNHW-UHFFFAOYSA-N -1 1 289.324 1.222 20 0 CDADMM Cc1c(NC(=O)c2ccc(-c3nn[n-]n3)s2)cnn1C ZINC000822108901 606827225 /nfs/dbraw/zinc/82/72/25/606827225.db2.gz LVIYVFQAADKNHW-UHFFFAOYSA-N -1 1 289.324 1.222 20 0 CDADMM c1cn2cc(CNc3cccc(-c4nn[n-]n4)n3)nc2s1 ZINC000826517326 607895767 /nfs/dbraw/zinc/89/57/67/607895767.db2.gz YROYREBEWRNRGX-UHFFFAOYSA-N -1 1 298.335 1.583 20 0 CDADMM CCc1cnc(CNc2cccc(-c3nnn[n-]3)n2)s1 ZINC000825734640 607900837 /nfs/dbraw/zinc/90/08/37/607900837.db2.gz LXEVWUKLOXYMFK-UHFFFAOYSA-N -1 1 287.352 1.893 20 0 CDADMM CCc1cnc(CNc2cccc(-c3nn[n-]n3)n2)s1 ZINC000825734640 607900838 /nfs/dbraw/zinc/90/08/38/607900838.db2.gz LXEVWUKLOXYMFK-UHFFFAOYSA-N -1 1 287.352 1.893 20 0 CDADMM CCc1c[nH]c(Sc2cccc(-c3nn[n-]n3)n2)n1 ZINC000825694479 607901955 /nfs/dbraw/zinc/90/19/55/607901955.db2.gz QTCVHTOCCXNHOA-UHFFFAOYSA-N -1 1 273.325 1.698 20 0 CDADMM COCC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000826148089 607930180 /nfs/dbraw/zinc/93/01/80/607930180.db2.gz YFYAHYYAHHNPOO-UHFFFAOYSA-N -1 1 295.368 1.811 20 0 CDADMM COCC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000826148089 607930181 /nfs/dbraw/zinc/93/01/81/607930181.db2.gz YFYAHYYAHHNPOO-UHFFFAOYSA-N -1 1 295.368 1.811 20 0 CDADMM COCCCCOc1cccc(F)c1-c1nnn[n-]1 ZINC000826156177 608025198 /nfs/dbraw/zinc/02/51/98/608025198.db2.gz SERGPJBUPNMOGB-UHFFFAOYSA-N -1 1 266.276 1.811 20 0 CDADMM COCCCCOc1cccc(F)c1-c1nn[n-]n1 ZINC000826156177 608025199 /nfs/dbraw/zinc/02/51/99/608025199.db2.gz SERGPJBUPNMOGB-UHFFFAOYSA-N -1 1 266.276 1.811 20 0 CDADMM Clc1nsc(N2C[C@H]3CCC[C@@H]32)c1-c1nnn[n-]1 ZINC000826353693 608186383 /nfs/dbraw/zinc/18/63/83/608186383.db2.gz AILHIALFGFHCHL-RITPCOANSA-N -1 1 282.760 1.965 20 0 CDADMM Clc1nsc(N2C[C@H]3CCC[C@@H]32)c1-c1nn[n-]n1 ZINC000826353693 608186384 /nfs/dbraw/zinc/18/63/84/608186384.db2.gz AILHIALFGFHCHL-RITPCOANSA-N -1 1 282.760 1.965 20 0 CDADMM C[C@H]1CCN(c2nccnc2-c2nnn[n-]2)CC12CCC2 ZINC000824961877 608195890 /nfs/dbraw/zinc/19/58/90/608195890.db2.gz KGSYWEOCLGWQLM-JTQLQIEISA-N -1 1 285.355 1.673 20 0 CDADMM C[C@H]1CCN(c2nccnc2-c2nn[n-]n2)CC12CCC2 ZINC000824961877 608195891 /nfs/dbraw/zinc/19/58/91/608195891.db2.gz KGSYWEOCLGWQLM-JTQLQIEISA-N -1 1 285.355 1.673 20 0 CDADMM O[C@@H](Cn1ccnc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000826510738 608220899 /nfs/dbraw/zinc/22/08/99/608220899.db2.gz ICMWAZPQGJFMSD-JTQLQIEISA-N -1 1 290.714 1.450 20 0 CDADMM O[C@@H](Cn1ccnc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000826510738 608220901 /nfs/dbraw/zinc/22/09/01/608220901.db2.gz ICMWAZPQGJFMSD-JTQLQIEISA-N -1 1 290.714 1.450 20 0 CDADMM CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000823999646 608388420 /nfs/dbraw/zinc/38/84/20/608388420.db2.gz FVROUEJYXZSUJJ-UHFFFAOYSA-N -1 1 297.278 1.407 20 0 CDADMM CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000823999646 608388422 /nfs/dbraw/zinc/38/84/22/608388422.db2.gz FVROUEJYXZSUJJ-UHFFFAOYSA-N -1 1 297.278 1.407 20 0 CDADMM Cc1ccsc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826316479 608405320 /nfs/dbraw/zinc/40/53/20/608405320.db2.gz PLPGVGIZFIQCIB-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1ccsc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826316479 608405322 /nfs/dbraw/zinc/40/53/22/608405322.db2.gz PLPGVGIZFIQCIB-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM CCCC[C@H](COC)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825261310 608421750 /nfs/dbraw/zinc/42/17/50/608421750.db2.gz WOGJFQIVQKIQKN-SECBINFHSA-N -1 1 277.332 1.274 20 0 CDADMM CCCC[C@H](COC)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825261310 608421752 /nfs/dbraw/zinc/42/17/52/608421752.db2.gz WOGJFQIVQKIQKN-SECBINFHSA-N -1 1 277.332 1.274 20 0 CDADMM CC(C)[C@H](C)Sc1ccc(-c2nnn[n-]2)nn1 ZINC000824193311 608425554 /nfs/dbraw/zinc/42/55/54/608425554.db2.gz WSEORNNAQUKEDH-ZETCQYMHSA-N -1 1 250.331 1.793 20 0 CDADMM CC(C)[C@H](C)Sc1ccc(-c2nn[n-]n2)nn1 ZINC000824193311 608425556 /nfs/dbraw/zinc/42/55/56/608425556.db2.gz WSEORNNAQUKEDH-ZETCQYMHSA-N -1 1 250.331 1.793 20 0 CDADMM C[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1c1ccccc1 ZINC000824991682 608425743 /nfs/dbraw/zinc/42/57/43/608425743.db2.gz FCGFGVCADDYAHG-HZMBPMFUSA-N -1 1 293.334 1.854 20 0 CDADMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1c1ccccc1 ZINC000824991682 608425744 /nfs/dbraw/zinc/42/57/44/608425744.db2.gz FCGFGVCADDYAHG-HZMBPMFUSA-N -1 1 293.334 1.854 20 0 CDADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1 ZINC000824994609 608427386 /nfs/dbraw/zinc/42/73/86/608427386.db2.gz VYDMELNVBFZTHY-QMMMGPOBSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1 ZINC000824994609 608427389 /nfs/dbraw/zinc/42/73/89/608427389.db2.gz VYDMELNVBFZTHY-QMMMGPOBSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC000824892493 608444336 /nfs/dbraw/zinc/44/43/36/608444336.db2.gz JFAKBAFRTRUIFB-ILWJIGKKSA-N -1 1 274.328 1.630 20 0 CDADMM C[C@@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC000824892493 608444337 /nfs/dbraw/zinc/44/43/37/608444337.db2.gz JFAKBAFRTRUIFB-ILWJIGKKSA-N -1 1 274.328 1.630 20 0 CDADMM COC(=O)[C@@H]1CCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC000826132853 608510796 /nfs/dbraw/zinc/51/07/96/608510796.db2.gz HDDJVXJPRCKIFI-VIFPVBQESA-N -1 1 293.352 1.066 20 0 CDADMM CCn1nc(C)c(NCc2ccc(-c3nnn[n-]3)o2)c1C ZINC000825807664 608567100 /nfs/dbraw/zinc/56/71/00/608567100.db2.gz UDMGUCNVNQKVEI-UHFFFAOYSA-N -1 1 287.327 1.905 20 0 CDADMM CCn1nc(C)c(NCc2ccc(-c3nn[n-]n3)o2)c1C ZINC000825807664 608567102 /nfs/dbraw/zinc/56/71/02/608567102.db2.gz UDMGUCNVNQKVEI-UHFFFAOYSA-N -1 1 287.327 1.905 20 0 CDADMM CN1CCN(Cc2ccc(-c3nnn[n-]3)o2)c2ccccc21 ZINC000826038853 609173127 /nfs/dbraw/zinc/17/31/27/609173127.db2.gz ZGWALZADCFFKJX-UHFFFAOYSA-N -1 1 296.334 1.916 20 0 CDADMM CN1CCN(Cc2ccc(-c3nn[n-]n3)o2)c2ccccc21 ZINC000826038853 609173129 /nfs/dbraw/zinc/17/31/29/609173129.db2.gz ZGWALZADCFFKJX-UHFFFAOYSA-N -1 1 296.334 1.916 20 0 CDADMM CC1(C)C[C@@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)O1 ZINC000824796903 609318675 /nfs/dbraw/zinc/31/86/75/609318675.db2.gz UMCAKAGIWPDSLT-MRVPVSSYSA-N -1 1 289.343 1.415 20 0 CDADMM CC1(C)C[C@@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)O1 ZINC000824796903 609318677 /nfs/dbraw/zinc/31/86/77/609318677.db2.gz UMCAKAGIWPDSLT-MRVPVSSYSA-N -1 1 289.343 1.415 20 0 CDADMM C/C=C(\C)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000940131386 613153447 /nfs/dbraw/zinc/15/34/47/613153447.db2.gz DGFHOQSVYHLKQC-JNZVDCKRSA-N -1 1 289.335 1.084 20 0 CDADMM O=C(N[C@H]1COC[C@H]1C1CC1)c1cc(F)ccc1[O-] ZINC000891055867 617357709 /nfs/dbraw/zinc/35/77/09/617357709.db2.gz YBOUYVIXXUHMGO-RYUDHWBXSA-N -1 1 265.284 1.686 20 0 CDADMM O=C(/C=C/CN1CCOCC1)Nc1ccc([O-])c(Cl)c1 ZINC000866868213 617443450 /nfs/dbraw/zinc/44/34/50/617443450.db2.gz GYWJJYFOAOZGNP-OWOJBTEDSA-N -1 1 296.754 1.873 20 0 CDADMM CC(=O)NCc1ccc(CNC(=O)c2ncccc2[O-])cc1 ZINC000943776619 613944558 /nfs/dbraw/zinc/94/45/58/613944558.db2.gz GAPCFUSUYABFRX-UHFFFAOYSA-N -1 1 299.330 1.353 20 0 CDADMM CCCC(=O)N1CC[C@@H]1CN(C)C(=O)c1ncccc1[O-] ZINC000977597126 614808058 /nfs/dbraw/zinc/80/80/58/614808058.db2.gz FHQDEWAHTDVTFY-LLVKDONJSA-N -1 1 291.351 1.260 20 0 CDADMM CC1(C)CC[C@@H](C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)O1 ZINC000891617236 617506430 /nfs/dbraw/zinc/50/64/30/617506430.db2.gz FCTDJJGZFOHOBQ-NSHDSACASA-N -1 1 291.351 1.957 20 0 CDADMM O=C(C[C@@H]1CCOC1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891622363 617510228 /nfs/dbraw/zinc/51/02/28/617510228.db2.gz LNBKXEJUCYBKIK-VIFPVBQESA-N -1 1 277.324 1.426 20 0 CDADMM CC[C@H]1CCCN(c2cc(=O)[n-]c(COC)n2)C1 ZINC000891783985 617588646 /nfs/dbraw/zinc/58/86/46/617588646.db2.gz QRQYDGZVVCZDSO-JTQLQIEISA-N -1 1 251.330 1.955 20 0 CDADMM COCc1nc(N[C@@H](C)Cn2cccn2)cc(=O)[n-]1 ZINC000891795319 617594020 /nfs/dbraw/zinc/59/40/20/617594020.db2.gz HZBCZHFUXWPPNU-VIFPVBQESA-N -1 1 263.301 1.026 20 0 CDADMM C[C@H]1CCc2n[nH]c(C(=O)NC3(C(=O)[O-])CCC3)c2C1 ZINC000909335915 617742526 /nfs/dbraw/zinc/74/25/26/617742526.db2.gz SLRFBDSDMGYYSG-QMMMGPOBSA-N -1 1 277.324 1.272 20 0 CDADMM CC[S@](C)(=O)=NC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000925823529 617797982 /nfs/dbraw/zinc/79/79/82/617797982.db2.gz YJKLTXJMVHYYPY-KRWDZBQOSA-N -1 1 258.299 1.059 20 0 CDADMM O=C(N[C@H]1CC12CC(O)C2)c1ccc([O-])c(F)c1 ZINC000888957189 617911502 /nfs/dbraw/zinc/91/15/02/617911502.db2.gz MQUQDJMPNLJUPP-SAVVLTDYSA-N -1 1 251.257 1.175 20 0 CDADMM COCc1nc(N[C@H]2CCOC[C@@H]2C)cc(=O)[n-]1 ZINC000893499816 617998424 /nfs/dbraw/zinc/99/84/24/617998424.db2.gz DVOZCLXCAGJMFK-IUCAKERBSA-N -1 1 253.302 1.166 20 0 CDADMM Cc1nc(C)c(CC(=O)[N-]OC2CCOCC2)s1 ZINC000897427951 620774523 /nfs/dbraw/zinc/77/45/23/620774523.db2.gz RLGIYCVAJWUAOD-UHFFFAOYSA-N -1 1 270.354 1.529 20 0 CDADMM Cn1[n-]c(CN2CCSC[C@@H]2C(C)(C)C)nc1=O ZINC000931596307 618071993 /nfs/dbraw/zinc/07/19/93/618071993.db2.gz JKIDFUDIYLMMEY-SECBINFHSA-N -1 1 270.402 1.072 20 0 CDADMM CCc1ccc(CN[C@H](C(=O)[O-])[C@@H]2CCCOC2)o1 ZINC000901829990 618277631 /nfs/dbraw/zinc/27/76/31/618277631.db2.gz AIRMWGSIISOKIZ-MFKMUULPSA-N -1 1 267.325 1.811 20 0 CDADMM C[C@@H]1CN(Cc2ccc3[nH]ccc3c2)C[C@@H](C(=O)[O-])O1 ZINC000901934108 618373357 /nfs/dbraw/zinc/37/33/57/618373357.db2.gz GWCGNJGKZLXMNK-YGRLFVJLSA-N -1 1 274.320 1.842 20 0 CDADMM C=Cn1cc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])cn1 ZINC000901975215 618415057 /nfs/dbraw/zinc/41/50/57/618415057.db2.gz BPZUOWCSMYYPOP-HNNXBMFYSA-N -1 1 283.331 1.995 20 0 CDADMM COCc1nc(N[C@H](C)[C@H](OC)C2CC2)cc(=O)[n-]1 ZINC000894104109 618415148 /nfs/dbraw/zinc/41/51/48/618415148.db2.gz ZDBUYEXUUVOFER-OQPBUACISA-N -1 1 267.329 1.554 20 0 CDADMM CC[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000902019504 618496950 /nfs/dbraw/zinc/49/69/50/618496950.db2.gz HRWVELXPUZXERW-FBIMIBRVSA-N -1 1 279.340 1.397 20 0 CDADMM Cn1ncnc1C[N-]c1nnc([C@H]2Cc3ccccc3O2)o1 ZINC000902043973 618512144 /nfs/dbraw/zinc/51/21/44/618512144.db2.gz NREMLBNJXWGAGN-LLVKDONJSA-N -1 1 298.306 1.486 20 0 CDADMM CC(C)(CNC(=O)[C@H]1CCCN1C1CC1)CC(=O)[O-] ZINC000910830862 618542090 /nfs/dbraw/zinc/54/20/90/618542090.db2.gz DZEXCGBMSMGZTG-LLVKDONJSA-N -1 1 268.357 1.230 20 0 CDADMM C[C@H]1CN(Cc2noc3c2CCCC3)C[C@@H]1C(=O)[O-] ZINC000828464952 618622978 /nfs/dbraw/zinc/62/29/78/618622978.db2.gz WQDUDYXTFLKWKS-ONGXEEELSA-N -1 1 264.325 1.706 20 0 CDADMM CN(C(=O)[O-])c1ccc(NC(=O)CCc2nc[nH]n2)cc1 ZINC000830508174 618630478 /nfs/dbraw/zinc/63/04/78/618630478.db2.gz UCKWSLJVAXRDKL-UHFFFAOYSA-N -1 1 289.295 1.490 20 0 CDADMM 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CDADMM Cc1ccc(NC[C@]2(C)CCCCO2)c(-c2nn[n-]n2)n1 ZINC001605873637 1163702692 /nfs/dbraw/zinc/70/26/92/1163702692.db2.gz FHIHXMCSKVVHGE-AWEZNQCLSA-N -1 1 288.355 1.941 20 0 CDADMM Cc1ccn(CC[C@H]2CCCCO2)c(=O)c1-c1nn[n-]n1 ZINC001605948723 1163724297 /nfs/dbraw/zinc/72/42/97/1163724297.db2.gz DWBRFMRFSVEFDQ-LLVKDONJSA-N -1 1 289.339 1.296 20 0 CDADMM Cc1coc(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001605992625 1163738816 /nfs/dbraw/zinc/73/88/16/1163738816.db2.gz IHADAYPZJOWRNC-UHFFFAOYSA-N -1 1 284.279 1.440 20 0 CDADMM Cc1coc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001605992625 1163738824 /nfs/dbraw/zinc/73/88/24/1163738824.db2.gz IHADAYPZJOWRNC-UHFFFAOYSA-N -1 1 284.279 1.440 20 0 CDADMM CN(C)C1(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)CCC1 ZINC001606011106 1163741361 /nfs/dbraw/zinc/74/13/61/1163741361.db2.gz HJURYUAFKJHWLN-UHFFFAOYSA-N -1 1 294.355 1.126 20 0 CDADMM CN(Cc1cnc[nH]1)Cc1ccc(C=CC(=O)[O-])o1 ZINC001606146327 1163786457 /nfs/dbraw/zinc/78/64/57/1163786457.db2.gz XMARULMVAVCECP-PLNGDYQASA-N -1 1 261.281 1.733 20 0 CDADMM FC1(F)CCC[C@H](Nc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001606299762 1163846391 /nfs/dbraw/zinc/84/63/91/1163846391.db2.gz KQVQORCXDXMKRF-ZETCQYMHSA-N -1 1 281.270 1.647 20 0 CDADMM FC1(F)CCC[C@H](Nc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001606299762 1163846401 /nfs/dbraw/zinc/84/64/01/1163846401.db2.gz KQVQORCXDXMKRF-ZETCQYMHSA-N -1 1 281.270 1.647 20 0 CDADMM Fc1cccc(CCNc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001606327270 1163862826 /nfs/dbraw/zinc/86/28/26/1163862826.db2.gz GDWMBBWKFQVJEH-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM Fc1cccc(CCNc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001606327270 1163862830 /nfs/dbraw/zinc/86/28/30/1163862830.db2.gz GDWMBBWKFQVJEH-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM COC(=O)[C@@H](c1ccccc1)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001606346888 1163872902 /nfs/dbraw/zinc/87/29/02/1163872902.db2.gz ONVGWHHOPLVJIG-GHJWDPDVSA-N -1 1 291.347 1.943 20 0 CDADMM Nc1nc(Cl)cc(Oc2cccnc2-c2nnn[n-]2)n1 ZINC001606454726 1163908594 /nfs/dbraw/zinc/90/85/94/1163908594.db2.gz CHEITLJFUDKSIW-UHFFFAOYSA-N -1 1 290.674 1.080 20 0 CDADMM Nc1nc(Cl)cc(Oc2cccnc2-c2nn[n-]n2)n1 ZINC001606454726 1163908598 /nfs/dbraw/zinc/90/85/98/1163908598.db2.gz CHEITLJFUDKSIW-UHFFFAOYSA-N -1 1 290.674 1.080 20 0 CDADMM O=C(C=Cc1cccs1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001606487122 1163913538 /nfs/dbraw/zinc/91/35/38/1163913538.db2.gz GPFRNCQLCZWMIZ-ONEGZZNKSA-N -1 1 287.308 1.303 20 0 CDADMM O=C(C=Cc1cccs1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001606487122 1163913542 /nfs/dbraw/zinc/91/35/42/1163913542.db2.gz GPFRNCQLCZWMIZ-ONEGZZNKSA-N -1 1 287.308 1.303 20 0 CDADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)c1ccc(F)cc1 ZINC001606619547 1163938722 /nfs/dbraw/zinc/93/87/22/1163938722.db2.gz ZHNBPCIHWLGMDK-UHFFFAOYSA-N -1 1 299.265 1.050 20 0 CDADMM Cc1coc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC001133907207 1163959718 /nfs/dbraw/zinc/95/97/18/1163959718.db2.gz PUDKROIYUKAQMJ-UHFFFAOYSA-N -1 1 260.175 1.977 20 0 CDADMM O=C(NCC1=CCCC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606716320 1163970135 /nfs/dbraw/zinc/97/01/35/1163970135.db2.gz QLHDEFHIWGTRQE-UHFFFAOYSA-N -1 1 285.311 1.494 20 0 CDADMM O=C(NCC1=CCCC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606716320 1163970139 /nfs/dbraw/zinc/97/01/39/1163970139.db2.gz QLHDEFHIWGTRQE-UHFFFAOYSA-N -1 1 285.311 1.494 20 0 CDADMM O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc(-c2nnn[n-]2)n1 ZINC001606723878 1163971170 /nfs/dbraw/zinc/97/11/70/1163971170.db2.gz SSRXPBFTPVMEIJ-MXWKQRLJSA-N -1 1 298.350 1.428 20 0 CDADMM O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc(-c2nn[n-]n2)n1 ZINC001606723878 1163971175 /nfs/dbraw/zinc/97/11/75/1163971175.db2.gz SSRXPBFTPVMEIJ-MXWKQRLJSA-N -1 1 298.350 1.428 20 0 CDADMM O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606723046 1163971956 /nfs/dbraw/zinc/97/19/56/1163971956.db2.gz MZQWXVMISNVPHM-JFGNBEQYSA-N -1 1 298.350 1.428 20 0 CDADMM O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606723046 1163971964 /nfs/dbraw/zinc/97/19/64/1163971964.db2.gz MZQWXVMISNVPHM-JFGNBEQYSA-N -1 1 298.350 1.428 20 0 CDADMM O=C(NCCC1=CCCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606758510 1163985409 /nfs/dbraw/zinc/98/54/09/1163985409.db2.gz VRENPDPAZRBLQW-UHFFFAOYSA-N -1 1 284.323 1.492 20 0 CDADMM O=C(NCCC1=CCCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606758510 1163985414 /nfs/dbraw/zinc/98/54/14/1163985414.db2.gz VRENPDPAZRBLQW-UHFFFAOYSA-N -1 1 284.323 1.492 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H]1CCC=CCCC1 ZINC001606892685 1164025122 /nfs/dbraw/zinc/02/51/22/1164025122.db2.gz UGJMXFQVGFAUSG-VIFPVBQESA-N -1 1 287.327 1.665 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H]1CCC=CCCC1 ZINC001606892685 1164025126 /nfs/dbraw/zinc/02/51/26/1164025126.db2.gz UGJMXFQVGFAUSG-VIFPVBQESA-N -1 1 287.327 1.665 20 0 CDADMM O=C(Nc1ccc2n[nH]cc2c1)c1coc(-c2nnn[n-]2)c1 ZINC001606928850 1164033105 /nfs/dbraw/zinc/03/31/05/1164033105.db2.gz DZSRJJMBGZIJQC-UHFFFAOYSA-N -1 1 295.262 1.588 20 0 CDADMM O=C(Nc1ccc2n[nH]cc2c1)c1coc(-c2nn[n-]n2)c1 ZINC001606928850 1164033108 /nfs/dbraw/zinc/03/31/08/1164033108.db2.gz DZSRJJMBGZIJQC-UHFFFAOYSA-N -1 1 295.262 1.588 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CCCOCC1 ZINC001606953535 1164036903 /nfs/dbraw/zinc/03/69/03/1164036903.db2.gz VVWCSFLKVDIINF-ZETCQYMHSA-N -1 1 294.340 1.078 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CCCOCC1 ZINC001606953535 1164036907 /nfs/dbraw/zinc/03/69/07/1164036907.db2.gz VVWCSFLKVDIINF-ZETCQYMHSA-N -1 1 294.340 1.078 20 0 CDADMM O=C(Nc1cncc(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC001606946338 1164037422 /nfs/dbraw/zinc/03/74/22/1164037422.db2.gz RCWRYORDJNANKZ-UHFFFAOYSA-N -1 1 290.283 1.715 20 0 CDADMM O=C(Nc1cncc(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC001606946338 1164037426 /nfs/dbraw/zinc/03/74/26/1164037426.db2.gz RCWRYORDJNANKZ-UHFFFAOYSA-N -1 1 290.283 1.715 20 0 CDADMM O=c1c(-c2nn[n-]n2)cn([C@H]2CCOC2)c2ccccc12 ZINC001607092503 1164075898 /nfs/dbraw/zinc/07/58/98/1164075898.db2.gz WIGPIWJGVSSXFO-VIFPVBQESA-N -1 1 283.291 1.143 20 0 CDADMM O=c1ccc(CCNc2ccnc(-c3nnn[n-]3)c2)c[nH]1 ZINC001607090700 1164077857 /nfs/dbraw/zinc/07/78/57/1164077857.db2.gz TUYOFBXGKVUJBG-UHFFFAOYSA-N -1 1 283.295 1.017 20 0 CDADMM O=c1ccc(CCNc2ccnc(-c3nn[n-]n3)c2)c[nH]1 ZINC001607090700 1164077869 /nfs/dbraw/zinc/07/78/69/1164077869.db2.gz TUYOFBXGKVUJBG-UHFFFAOYSA-N -1 1 283.295 1.017 20 0 CDADMM c1cc(N2CCCC[C@H]2C2CCC2)nnc1-c1nnn[n-]1 ZINC001607120257 1164103311 /nfs/dbraw/zinc/10/33/11/1164103311.db2.gz WSLHGBQUCAIUBO-LBPRGKRZSA-N -1 1 285.355 1.816 20 0 CDADMM c1cc(N2CCCC[C@H]2C2CCC2)nnc1-c1nn[n-]n1 ZINC001607120257 1164103312 /nfs/dbraw/zinc/10/33/12/1164103312.db2.gz WSLHGBQUCAIUBO-LBPRGKRZSA-N -1 1 285.355 1.816 20 0 CDADMM c1cc(NCC[C@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001607121704 1164103855 /nfs/dbraw/zinc/10/38/55/1164103855.db2.gz VCMSMGZBNUYCMA-VIFPVBQESA-N -1 1 260.301 1.100 20 0 CDADMM c1cc(NCC[C@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001607121704 1164103861 /nfs/dbraw/zinc/10/38/61/1164103861.db2.gz VCMSMGZBNUYCMA-VIFPVBQESA-N -1 1 260.301 1.100 20 0 CDADMM c1cncc(CN(c2cncc(-c3nnn[n-]3)n2)C2CC2)c1 ZINC001607135645 1164115501 /nfs/dbraw/zinc/11/55/01/1164115501.db2.gz BWBDYJZIOOCPLG-UHFFFAOYSA-N -1 1 294.322 1.221 20 0 CDADMM c1cncc(CN(c2cncc(-c3nn[n-]n3)n2)C2CC2)c1 ZINC001607135645 1164115502 /nfs/dbraw/zinc/11/55/02/1164115502.db2.gz BWBDYJZIOOCPLG-UHFFFAOYSA-N -1 1 294.322 1.221 20 0 CDADMM Cc1cc(CN2CCC3(C2)OCCO3)ccc1C(=O)[O-] ZINC001607639765 1164250365 /nfs/dbraw/zinc/25/03/65/1164250365.db2.gz QCEDTKBJODKMLC-UHFFFAOYSA-N -1 1 277.320 1.642 20 0 CDADMM Cc1cc(N)nc(N2CCC[C@@H](CCC(=O)[O-])C2)n1 ZINC001607669256 1164264734 /nfs/dbraw/zinc/26/47/34/1164264734.db2.gz JXLIRNZIJBJKQW-JTQLQIEISA-N -1 1 264.329 1.448 20 0 CDADMM Cc1nn(CCC(=O)[O-])c(C)c1CN(C)[C@H]1CCCOC1 ZINC001608007465 1164373192 /nfs/dbraw/zinc/37/31/92/1164373192.db2.gz XHBPDXLVEMKMSO-ZDUSSCGKSA-N -1 1 295.383 1.585 20 0 CDADMM O=C([O-])c1cc(CNCC(=O)NC2CCCC2)cs1 ZINC001608343472 1164493802 /nfs/dbraw/zinc/49/38/02/1164493802.db2.gz XZXYTXUJHLPHRA-UHFFFAOYSA-N -1 1 282.365 1.595 20 0 CDADMM O=C([O-])[C@@H](CC(F)F)NCc1cc2n(n1)CCC2 ZINC001608530585 1164534155 /nfs/dbraw/zinc/53/41/55/1164534155.db2.gz ZPRGMQFLOSVDEL-SECBINFHSA-N -1 1 259.256 1.027 20 0 CDADMM O=C([O-])[C@@H]1CC(=O)N(CN2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC001608596993 1164565476 /nfs/dbraw/zinc/56/54/76/1164565476.db2.gz GIOHPCWMLLIDLS-RWMBFGLXSA-N -1 1 280.368 1.389 20 0 CDADMM O=C([O-])c1ccc(CNC(=O)[C@H]2CCCN2C2CC2)cn1 ZINC001608883343 1164673901 /nfs/dbraw/zinc/67/39/01/1164673901.db2.gz IJSWCCFNLVRBQE-CYBMUJFWSA-N -1 1 289.335 1.023 20 0 CDADMM O=C([O-])c1ccc2c(c1)CN(CCC(=O)N1CCCC1)C2 ZINC001608923147 1164683912 /nfs/dbraw/zinc/68/39/12/1164683912.db2.gz AAAACCHQUKCRME-UHFFFAOYSA-N -1 1 288.347 1.713 20 0 CDADMM O=C([O-])c1cnc(CN[C@H]2C[C@H](O)C23CCC3)s1 ZINC001608972105 1164698776 /nfs/dbraw/zinc/69/87/76/1164698776.db2.gz LKZRBQJBTJASCM-IUCAKERBSA-N -1 1 268.338 1.234 20 0 CDADMM O=C([O-])c1cnc(CN2CC[C@@H](c3ccncc3)C2)cn1 ZINC001608971509 1164698695 /nfs/dbraw/zinc/69/86/95/1164698695.db2.gz LMSBKCNAEXSFRL-GFCCVEGCSA-N -1 1 284.319 1.559 20 0 CDADMM C[C@@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccncc1 ZINC001609133304 1164786919 /nfs/dbraw/zinc/78/69/19/1164786919.db2.gz YXLNSDWWQKONBR-SECBINFHSA-N -1 1 296.290 1.575 20 0 CDADMM C[C@@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccncc1 ZINC001609133304 1164786925 /nfs/dbraw/zinc/78/69/25/1164786925.db2.gz YXLNSDWWQKONBR-SECBINFHSA-N -1 1 296.290 1.575 20 0 CDADMM C[C@H]1CC2(CCC2)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001609159419 1164805923 /nfs/dbraw/zinc/80/59/23/1164805923.db2.gz MSHJSXDDYPXWSX-VIFPVBQESA-N -1 1 271.328 1.426 20 0 CDADMM C[C@H]1CC2(CCC2)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001609159419 1164805933 /nfs/dbraw/zinc/80/59/33/1164805933.db2.gz MSHJSXDDYPXWSX-VIFPVBQESA-N -1 1 271.328 1.426 20 0 CDADMM C[C@@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@H]1C ZINC001609164505 1164811228 /nfs/dbraw/zinc/81/12/28/1164811228.db2.gz SHDNEQJQKBDUTB-KXUCPTDWSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@H]1C ZINC001609164505 1164811238 /nfs/dbraw/zinc/81/12/38/1164811238.db2.gz SHDNEQJQKBDUTB-KXUCPTDWSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@H]1CCC[C@@H]1CC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001609164670 1164811328 /nfs/dbraw/zinc/81/13/28/1164811328.db2.gz VJTBGVPKPITNHP-DTWKUNHWSA-N -1 1 289.343 1.365 20 0 CDADMM C[C@H]1CCC[C@@H]1CC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001609164670 1164811334 /nfs/dbraw/zinc/81/13/34/1164811334.db2.gz VJTBGVPKPITNHP-DTWKUNHWSA-N -1 1 289.343 1.365 20 0 CDADMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)ncn2)[C@@H]2CCCC[C@@H]21 ZINC001609175573 1164816546 /nfs/dbraw/zinc/81/65/46/1164816546.db2.gz UHXUUSDXGNNBTO-CKYFFXLPSA-N -1 1 285.355 1.672 20 0 CDADMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)ncn2)[C@@H]2CCCC[C@@H]21 ZINC001609175573 1164816551 /nfs/dbraw/zinc/81/65/51/1164816551.db2.gz UHXUUSDXGNNBTO-CKYFFXLPSA-N -1 1 285.355 1.672 20 0 CDADMM CCC(CC)(CNc1nccnc1-c1nnn[n-]1)OC ZINC001609188844 1164829636 /nfs/dbraw/zinc/82/96/36/1164829636.db2.gz IONMQPGTTHXODU-UHFFFAOYSA-N -1 1 277.332 1.274 20 0 CDADMM CCC(CC)(CNc1nccnc1-c1nn[n-]n1)OC ZINC001609188844 1164829645 /nfs/dbraw/zinc/82/96/45/1164829645.db2.gz IONMQPGTTHXODU-UHFFFAOYSA-N -1 1 277.332 1.274 20 0 CDADMM CCOC1(C)CN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001609237766 1164860499 /nfs/dbraw/zinc/86/04/99/1164860499.db2.gz UTFMLCPCGRKXKW-UHFFFAOYSA-N -1 1 280.357 1.247 20 0 CDADMM Cc1ccc(CO)cc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609424559 1164939094 /nfs/dbraw/zinc/93/90/94/1164939094.db2.gz SLRZNQBHNMAGDT-UHFFFAOYSA-N -1 1 299.290 1.513 20 0 CDADMM Cc1ccncc1CN(C)c1cccnc1-c1nnn[n-]1 ZINC001609439216 1164947970 /nfs/dbraw/zinc/94/79/70/1164947970.db2.gz RHGZIFLPVWENQX-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1ccncc1CN(C)c1cccnc1-c1nn[n-]n1 ZINC001609439216 1164947973 /nfs/dbraw/zinc/94/79/73/1164947973.db2.gz RHGZIFLPVWENQX-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1[nH]nc(NC(=O)C[C@@H]2C=CCCC2)c1-c1nn[n-]n1 ZINC001609444610 1164950983 /nfs/dbraw/zinc/95/09/83/1164950983.db2.gz KLGMZSDTABCSPO-SECBINFHSA-N -1 1 287.327 1.583 20 0 CDADMM O=C(OCCOC1CCC1)c1csc(-c2nnn[n-]2)c1 ZINC001609574589 1164994188 /nfs/dbraw/zinc/99/41/88/1164994188.db2.gz GFVZHHCWWVYGNN-UHFFFAOYSA-N -1 1 294.336 1.654 20 0 CDADMM O=C(OCCOC1CCC1)c1csc(-c2nn[n-]n2)c1 ZINC001609574589 1164994195 /nfs/dbraw/zinc/99/41/95/1164994195.db2.gz GFVZHHCWWVYGNN-UHFFFAOYSA-N -1 1 294.336 1.654 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)C1CC(F)(F)C1 ZINC001609577471 1164996446 /nfs/dbraw/zinc/99/64/46/1164996446.db2.gz MOFUCAHZKUFIBO-UHFFFAOYSA-N -1 1 295.249 1.350 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)C1CC(F)(F)C1 ZINC001609577471 1164996451 /nfs/dbraw/zinc/99/64/51/1164996451.db2.gz MOFUCAHZKUFIBO-UHFFFAOYSA-N -1 1 295.249 1.350 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCCc2ncccc21 ZINC001609581762 1164996547 /nfs/dbraw/zinc/99/65/47/1164996547.db2.gz GUFAEZMKRPSRGC-UHFFFAOYSA-N -1 1 296.290 1.448 20 0 CDADMM c1[nH]nc2cc(Oc3cc(-c4nnn[n-]4)ncn3)ccc12 ZINC001609621122 1165016793 /nfs/dbraw/zinc/01/67/93/1165016793.db2.gz RABPEZZYDUVHRZ-UHFFFAOYSA-N -1 1 280.251 1.325 20 0 CDADMM c1[nH]nc2cc(Oc3cc(-c4nn[n-]n4)ncn3)ccc12 ZINC001609621122 1165016799 /nfs/dbraw/zinc/01/67/99/1165016799.db2.gz RABPEZZYDUVHRZ-UHFFFAOYSA-N -1 1 280.251 1.325 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NCC2(C3CC3)CC2)n1 ZINC001609621286 1165017335 /nfs/dbraw/zinc/01/73/35/1165017335.db2.gz YROVUDWFVRHPIO-UHFFFAOYSA-N -1 1 257.301 1.259 20 0 CDADMM C[C@](CC(=O)[O-])(NCc1ccccn1)c1ccncc1 ZINC001609731095 1165058584 /nfs/dbraw/zinc/05/85/84/1165058584.db2.gz PDGPPSOLEQELBQ-OAHLLOKOSA-N -1 1 271.320 1.956 20 0 CDADMM C[C@@H](NCc1ncccn1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001609777512 1165078009 /nfs/dbraw/zinc/07/80/09/1165078009.db2.gz BNPCSPBDTSBDNW-TZMCWYRMSA-N -1 1 285.347 1.898 20 0 CDADMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cn1c(=O)oc2ccccc21 ZINC001609833618 1165103158 /nfs/dbraw/zinc/10/31/58/1165103158.db2.gz LMRHWIUTCIKEBY-NXEZZACHSA-N -1 1 276.292 1.347 20 0 CDADMM Cc1oc(C(=O)[O-])cc1CN(C)C1(C(N)=O)CCCC1 ZINC001610578359 1165363987 /nfs/dbraw/zinc/36/39/87/1165363987.db2.gz FKNVVHDYTXBKAM-UHFFFAOYSA-N -1 1 280.324 1.516 20 0 CDADMM Cc1oc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1C(=O)[O-] ZINC001610583611 1165367345 /nfs/dbraw/zinc/36/73/45/1165367345.db2.gz OGEVOKLOHLVDBI-SKDRFNHKSA-N -1 1 294.307 1.217 20 0 CDADMM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2ncc[nH]2)C1 ZINC001610729271 1165419440 /nfs/dbraw/zinc/41/94/40/1165419440.db2.gz CPOGESMSUIKODZ-OAHLLOKOSA-N -1 1 271.320 1.638 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](O)CN1Cc1cnc(-c2ccccc2)[nH]1 ZINC001610737371 1165423373 /nfs/dbraw/zinc/42/33/73/1165423373.db2.gz PMQXOFHJNDVVSA-STQMWFEESA-N -1 1 287.319 1.097 20 0 CDADMM O=C([O-])c1occc1CNC1(CF)CCOCC1 ZINC001610874491 1165470137 /nfs/dbraw/zinc/47/01/37/1165470137.db2.gz ZFQUBWOWTIHSPB-UHFFFAOYSA-N -1 1 257.261 1.586 20 0 CDADMM O=C(CSCc1cccnc1)Nc1c[n-][nH]c1=O ZINC001611374720 1165490660 /nfs/dbraw/zinc/49/06/60/1165490660.db2.gz YYOIHUDBUSWAPX-UHFFFAOYSA-N -1 1 264.310 1.382 20 0 CDADMM O=C(Cc1c[nH]c2cnccc12)Nc1c[n-][nH]c1=O ZINC001611378978 1165490595 /nfs/dbraw/zinc/49/05/95/1165490595.db2.gz AUJMXFDUBIDHOI-UHFFFAOYSA-N -1 1 257.253 1.173 20 0 CDADMM Cc1cc(C)n(-c2ccc(C(=O)Nc3c[n-][nH]c3=O)cn2)n1 ZINC001611374049 1165490940 /nfs/dbraw/zinc/49/09/40/1165490940.db2.gz LCFLQLQRJDDGGN-UHFFFAOYSA-N -1 1 298.306 1.565 20 0 CDADMM Cc1cnc2cc(C(=O)Nc3c(C)[n-][nH]c3=O)ccn12 ZINC001625354625 1165902940 /nfs/dbraw/zinc/90/29/40/1165902940.db2.gz LNMXJLCOBNAXKD-UHFFFAOYSA-N -1 1 271.280 1.632 20 0 CDADMM Cn1c(C(=O)NCc2nc([O-])cc(=O)[nH]2)cc2ccccc21 ZINC001630647440 1166221415 /nfs/dbraw/zinc/22/14/15/1166221415.db2.gz XHLUEPZZPOVLLV-UHFFFAOYSA-N -1 1 298.302 1.310 20 0 CDADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)C1=CCCC1 ZINC000349646379 1166592983 /nfs/dbraw/zinc/59/29/83/1166592983.db2.gz PJRBTQXNWBENKT-UHFFFAOYSA-N -1 1 285.307 1.828 20 0 CDADMM Cc1cccc(CNc2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC000095343165 1166624614 /nfs/dbraw/zinc/62/46/14/1166624614.db2.gz ULDWCOFKRWEQCV-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1cccc(CNc2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC000095343165 1166624618 /nfs/dbraw/zinc/62/46/18/1166624618.db2.gz ULDWCOFKRWEQCV-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM O=C(c1ncccc1[O-])N1CC[C@@H](CCCO)C1 ZINC001637930425 1166804883 /nfs/dbraw/zinc/80/48/83/1166804883.db2.gz KDIODPVXVCLGAH-SNVBAGLBSA-N -1 1 250.298 1.022 20 0 CDADMM C[C@@H]1CCC[C@H](OCC(=O)Nc2c[n-][nH]c2=O)C1 ZINC001638735672 1166867904 /nfs/dbraw/zinc/86/79/04/1166867904.db2.gz SXJPZLGCIVQZCM-BDAKNGLRSA-N -1 1 253.302 1.649 20 0 CDADMM COC(=O)c1cccc(C(=O)Nc2c[n-][nH]c2=O)c1 ZINC001638735467 1166868625 /nfs/dbraw/zinc/86/86/25/1166868625.db2.gz JLURXDIACCWHGN-UHFFFAOYSA-N -1 1 261.237 1.154 20 0 CDADMM Cn1nc(CCNC(=O)c2ccc([O-])cn2)c2ccccc21 ZINC001638898890 1166885434 /nfs/dbraw/zinc/88/54/34/1166885434.db2.gz MAOCQIKGXZHUED-UHFFFAOYSA-N -1 1 296.330 1.646 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cnn(-c2ccc(F)cc2)c1 ZINC001641601547 1167124369 /nfs/dbraw/zinc/12/43/69/1167124369.db2.gz TYRDMGOZHVPGLK-UHFFFAOYSA-N -1 1 287.254 1.692 20 0 CDADMM CC(=O)Nc1ccc(NC(=O)c2cncc([O-])c2)nc1 ZINC001645673196 1167460887 /nfs/dbraw/zinc/46/08/87/1167460887.db2.gz XHROWTVCDBMGTR-UHFFFAOYSA-N -1 1 272.264 1.393 20 0 CDADMM Cc1cc(O[C@@H](C)C(=O)N(C)c2nn[n-]n2)ccc1Cl ZINC001646264782 1167732385 /nfs/dbraw/zinc/73/23/85/1167732385.db2.gz SPJOBGGRFRRFGX-QMMMGPOBSA-N -1 1 295.730 1.592 20 0 CDADMM Cn1[n-]cc2c(=NC(=O)N3CC[C@@H]3C(C)(C)C)ccnc1-2 ZINC001646911091 1168249130 /nfs/dbraw/zinc/24/91/30/1168249130.db2.gz YOIQGCOSLKNXFQ-GFCCVEGCSA-N -1 1 287.367 1.994 20 0 CDADMM O=C(NCc1ccccc1CO)c1ccc([O-])cn1 ZINC001566385107 1168265063 /nfs/dbraw/zinc/26/50/63/1168265063.db2.gz LSAJEKGEOOIGFQ-UHFFFAOYSA-N -1 1 258.277 1.210 20 0 CDADMM Cc1cc(C(=O)OCc2nc(=O)n(C)[n-]2)c(C)n1C1CC1 ZINC001649754573 1169338070 /nfs/dbraw/zinc/33/80/70/1169338070.db2.gz UNQBBANNCBVXSN-UHFFFAOYSA-N -1 1 290.323 1.219 20 0 CDADMM CCCc1cccc(C[NH2+]Cc2nc(C(=O)[O-])n[n-]2)c1 ZINC001573763861 1170764520 /nfs/dbraw/zinc/76/45/20/1170764520.db2.gz OSVTXSZEXMACKJ-UHFFFAOYSA-N -1 1 274.324 1.745 20 0 CDADMM CCOC(=O)[C@@H]1C[C@H]1CN1CCc2occc2[C@H]1C(=O)[O-] ZINC001573791177 1170777689 /nfs/dbraw/zinc/77/76/89/1170777689.db2.gz DBLGKKPWIKDGJG-NDMJEZRESA-N -1 1 293.319 1.463 20 0 CDADMM CN1CCC[C@H](NC(=O)c2ncc(C(=O)[O-])cc2Cl)C1 ZINC001573883312 1170818028 /nfs/dbraw/zinc/81/80/28/1170818028.db2.gz UKXBBXPCCXYWSI-VIFPVBQESA-N -1 1 297.742 1.257 20 0 CDADMM O=S(=O)(C=Cc1ccccc1)[N-]c1ccccn1 ZINC000072542944 1171908121 /nfs/dbraw/zinc/90/81/21/1171908121.db2.gz INSBVHWPCLLMSP-PKNBQFBNSA-N -1 1 260.318 1.916 20 0 CDADMM Cc1cnc(CNc2ccnc(-c3nnn[n-]3)c2)c(C)c1 ZINC001581321549 1172602358 /nfs/dbraw/zinc/60/23/58/1172602358.db2.gz KQKHPFPNFFWPKU-UHFFFAOYSA-N -1 1 281.323 1.308 20 0 CDADMM Cc1cnc(CNc2ccnc(-c3nn[n-]n3)c2)c(C)c1 ZINC001581321549 1172602361 /nfs/dbraw/zinc/60/23/61/1172602361.db2.gz KQKHPFPNFFWPKU-UHFFFAOYSA-N -1 1 281.323 1.308 20 0 CDADMM Cc1nc(-c2ccccc2)ncc1C(=O)N(C)c1nn[n-]n1 ZINC001587339957 1172627999 /nfs/dbraw/zinc/62/79/99/1172627999.db2.gz WFXSOVAEEYSGSA-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM COc1cc(C(=O)N(C)c2nn[n-]n2)ccc1Cl ZINC001586262441 1172938739 /nfs/dbraw/zinc/93/87/39/1172938739.db2.gz RLNXUIVCMMDWNU-UHFFFAOYSA-N -1 1 267.676 1.138 20 0 CDADMM C=Cc1ccc(CCNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001588733855 1173100886 /nfs/dbraw/zinc/10/08/86/1173100886.db2.gz FWYOVOMDZVXMRS-UHFFFAOYSA-N -1 1 293.334 1.954 20 0 CDADMM C=Cc1ccc(CCNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001588733855 1173100891 /nfs/dbraw/zinc/10/08/91/1173100891.db2.gz FWYOVOMDZVXMRS-UHFFFAOYSA-N -1 1 293.334 1.954 20 0 CDADMM C=Cc1ccc(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)cc1 ZINC001588733983 1173101082 /nfs/dbraw/zinc/10/10/82/1173101082.db2.gz MWHGHSZVJNOXQY-UHFFFAOYSA-N -1 1 295.306 1.794 20 0 CDADMM CC(C)(F)COC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001589312853 1173136345 /nfs/dbraw/zinc/13/63/45/1173136345.db2.gz VWTMDCHELJJOQS-UHFFFAOYSA-N -1 1 270.289 1.833 20 0 CDADMM CC(C)(F)COC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589312853 1173136348 /nfs/dbraw/zinc/13/63/48/1173136348.db2.gz VWTMDCHELJJOQS-UHFFFAOYSA-N -1 1 270.289 1.833 20 0 CDADMM CC(C)C1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001589491689 1173150183 /nfs/dbraw/zinc/15/01/83/1173150183.db2.gz WMKGBWNXWPFKQU-UHFFFAOYSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)C1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001589491689 1173150184 /nfs/dbraw/zinc/15/01/84/1173150184.db2.gz WMKGBWNXWPFKQU-UHFFFAOYSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)CN1CC(=O)N[C@H]1c1csc(-c2nn[n-]n2)c1 ZINC001589628902 1173162408 /nfs/dbraw/zinc/16/24/08/1173162408.db2.gz QFGGPPFQGSEJJG-GFCCVEGCSA-N -1 1 292.368 1.015 20 0 CDADMM C[C@@H](CCc1cccn1C)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001589836739 1173190182 /nfs/dbraw/zinc/19/01/82/1173190182.db2.gz QQQCVZSJPVOGGK-JTQLQIEISA-N -1 1 298.354 1.428 20 0 CDADMM C[C@@H](CCc1cccn1C)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001589836739 1173190186 /nfs/dbraw/zinc/19/01/86/1173190186.db2.gz QQQCVZSJPVOGGK-JTQLQIEISA-N -1 1 298.354 1.428 20 0 CDADMM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccn(C)n1 ZINC001589970737 1173217868 /nfs/dbraw/zinc/21/78/68/1173217868.db2.gz NRCRSBLBBPJRDD-MRVPVSSYSA-N -1 1 273.300 1.044 20 0 CDADMM C[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccn(C)n1 ZINC001589970737 1173217872 /nfs/dbraw/zinc/21/78/72/1173217872.db2.gz NRCRSBLBBPJRDD-MRVPVSSYSA-N -1 1 273.300 1.044 20 0 CDADMM C[C@H](O)CCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001589999203 1173231433 /nfs/dbraw/zinc/23/14/33/1173231433.db2.gz PVCISYUPIRDHLN-YFKPBYRVSA-N -1 1 288.764 1.184 20 0 CDADMM C[C@H](O)CCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589999203 1173231437 /nfs/dbraw/zinc/23/14/37/1173231437.db2.gz PVCISYUPIRDHLN-YFKPBYRVSA-N -1 1 288.764 1.184 20 0 CDADMM C[C@H](Sc1cccc(F)c1-c1nn[n-]n1)C(=O)N(C)C ZINC001590035162 1173238411 /nfs/dbraw/zinc/23/84/11/1173238411.db2.gz CJARBFAFGZSUAG-ZETCQYMHSA-N -1 1 295.343 1.575 20 0 CDADMM CC1(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CCC1 ZINC001590071023 1173242440 /nfs/dbraw/zinc/24/24/40/1173242440.db2.gz QSCZJWRXLIHBJA-UHFFFAOYSA-N -1 1 258.285 1.390 20 0 CDADMM CC1(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CCC1 ZINC001590071023 1173242450 /nfs/dbraw/zinc/24/24/50/1173242450.db2.gz QSCZJWRXLIHBJA-UHFFFAOYSA-N -1 1 258.285 1.390 20 0 CDADMM C[C@@H](c1noc(-c2ccc(-c3nnn[n-]3)nc2)n1)C1CC1 ZINC001590056149 1173244265 /nfs/dbraw/zinc/24/42/65/1173244265.db2.gz ZNJUBDXJNGIXFG-SSDOTTSWSA-N -1 1 283.295 1.825 20 0 CDADMM C[C@@H](c1noc(-c2ccc(-c3nn[n-]n3)nc2)n1)C1CC1 ZINC001590056149 1173244272 /nfs/dbraw/zinc/24/42/72/1173244272.db2.gz ZNJUBDXJNGIXFG-SSDOTTSWSA-N -1 1 283.295 1.825 20 0 CDADMM CC1(C)CCC[C@@H](Cn2cc(-c3nn[n-]n3)ccc2=O)O1 ZINC001590094819 1173254274 /nfs/dbraw/zinc/25/42/74/1173254274.db2.gz UCFHDAQYCRRBJD-NSHDSACASA-N -1 1 289.339 1.376 20 0 CDADMM CC1(C)COC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590111001 1173259089 /nfs/dbraw/zinc/25/90/89/1173259089.db2.gz MFPGOEBKCOWEGS-VIFPVBQESA-N -1 1 293.352 1.083 20 0 CDADMM CC1(C)COC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590111001 1173259092 /nfs/dbraw/zinc/25/90/92/1173259092.db2.gz MFPGOEBKCOWEGS-VIFPVBQESA-N -1 1 293.352 1.083 20 0 CDADMM CC1(CNC(=O)c2ccsc2-c2nnn[n-]2)CC1 ZINC001590131838 1173268015 /nfs/dbraw/zinc/26/80/15/1173268015.db2.gz HOSCDZYCFUEURS-UHFFFAOYSA-N -1 1 263.326 1.458 20 0 CDADMM CC1(CNC(=O)c2ccsc2-c2nn[n-]n2)CC1 ZINC001590131838 1173268020 /nfs/dbraw/zinc/26/80/20/1173268020.db2.gz HOSCDZYCFUEURS-UHFFFAOYSA-N -1 1 263.326 1.458 20 0 CDADMM C[C@@]1(c2ccccc2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590152620 1173276298 /nfs/dbraw/zinc/27/62/98/1173276298.db2.gz ZADPPEDNMMVJOL-ABAIWWIYSA-N -1 1 293.334 1.221 20 0 CDADMM C[C@H]1C[C@H](C)N(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590189848 1173284203 /nfs/dbraw/zinc/28/42/03/1173284203.db2.gz JSCZGYPLDPSCSQ-UWVGGRQHSA-N -1 1 286.339 1.061 20 0 CDADMM C[C@H]1C[C@H](C)N(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590189848 1173284208 /nfs/dbraw/zinc/28/42/08/1173284208.db2.gz JSCZGYPLDPSCSQ-UWVGGRQHSA-N -1 1 286.339 1.061 20 0 CDADMM C[C@@H]1C[C@@H]1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590216784 1173296147 /nfs/dbraw/zinc/29/61/47/1173296147.db2.gz YVAPPNAWGOUMBG-SVRRBLITSA-N -1 1 293.277 1.417 20 0 CDADMM C[C@@H]1C[C@@H]1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590216784 1173296148 /nfs/dbraw/zinc/29/61/48/1173296148.db2.gz YVAPPNAWGOUMBG-SVRRBLITSA-N -1 1 293.277 1.417 20 0 CDADMM C[C@H]1C[C@@H]1c1noc(-c2coc(-c3nnn[n-]3)c2)n1 ZINC001590220513 1173301244 /nfs/dbraw/zinc/30/12/44/1173301244.db2.gz PUVOPGYNFWOBLM-FSPLSTOPSA-N -1 1 258.241 1.633 20 0 CDADMM C[C@@H]1CCC[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590244819 1173318608 /nfs/dbraw/zinc/31/86/08/1173318608.db2.gz RRMFTIOSCADCDD-NXEZZACHSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@@H]1CCC[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590244819 1173318614 /nfs/dbraw/zinc/31/86/14/1173318614.db2.gz RRMFTIOSCADCDD-NXEZZACHSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@@H]1CCCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590265951 1173329042 /nfs/dbraw/zinc/32/90/42/1173329042.db2.gz ZQZMWWVTNGLQGP-SSDOTTSWSA-N -1 1 263.326 1.553 20 0 CDADMM CC[C@@H](C(=O)[O-])N(C)Cc1cc(-c2nn[nH]n2)cs1 ZINC001590370650 1173377464 /nfs/dbraw/zinc/37/74/64/1173377464.db2.gz JGBAXLAUIIQMOW-VIFPVBQESA-N -1 1 281.341 1.223 20 0 CDADMM CC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCO1 ZINC001590473550 1173425670 /nfs/dbraw/zinc/42/56/70/1173425670.db2.gz PYJHFVREDYNKAP-PSASIEDQSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCO1 ZINC001590473550 1173425680 /nfs/dbraw/zinc/42/56/80/1173425680.db2.gz PYJHFVREDYNKAP-PSASIEDQSA-N -1 1 275.316 1.026 20 0 CDADMM CCN(Cc1ccccc1C)c1ccnc(-c2nn[n-]n2)n1 ZINC001590720782 1173499521 /nfs/dbraw/zinc/49/95/21/1173499521.db2.gz CGUOKJHOCYBYQW-UHFFFAOYSA-N -1 1 295.350 1.992 20 0 CDADMM CCOC1CC(N(C)c2cc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001590793857 1173513581 /nfs/dbraw/zinc/51/35/81/1173513581.db2.gz SSPBCRJIMYLYRC-UHFFFAOYSA-N -1 1 288.355 1.574 20 0 CDADMM CCOC1CC(N(C)c2cc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001590793857 1173513588 /nfs/dbraw/zinc/51/35/88/1173513588.db2.gz SSPBCRJIMYLYRC-UHFFFAOYSA-N -1 1 288.355 1.574 20 0 CDADMM CCOCCCn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001590811670 1173518823 /nfs/dbraw/zinc/51/88/23/1173518823.db2.gz FFQOJNDEHLCNLG-UHFFFAOYSA-N -1 1 299.334 1.608 20 0 CDADMM CCO[C@@H]1CCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590820153 1173521669 /nfs/dbraw/zinc/52/16/69/1173521669.db2.gz MZIOWOCTMZLVQT-PSASIEDQSA-N -1 1 275.316 1.026 20 0 CDADMM CCO[C@@H]1CCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590820153 1173521674 /nfs/dbraw/zinc/52/16/74/1173521674.db2.gz MZIOWOCTMZLVQT-PSASIEDQSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@@H]1CC[C@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590858359 1173529268 /nfs/dbraw/zinc/52/92/68/1173529268.db2.gz BRWBMBCVNOPNQR-VHSXEESVSA-N -1 1 273.344 1.672 20 0 CDADMM CC[C@@H]1CC[C@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590858359 1173529274 /nfs/dbraw/zinc/52/92/74/1173529274.db2.gz BRWBMBCVNOPNQR-VHSXEESVSA-N -1 1 273.344 1.672 20 0 CDADMM CCc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)o2)nc1 ZINC001590890908 1173536050 /nfs/dbraw/zinc/53/60/50/1173536050.db2.gz UTEIUPMMDZKYKF-UHFFFAOYSA-N -1 1 284.279 1.669 20 0 CDADMM CCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)nc1 ZINC001590890908 1173536055 /nfs/dbraw/zinc/53/60/55/1173536055.db2.gz UTEIUPMMDZKYKF-UHFFFAOYSA-N -1 1 284.279 1.669 20 0 CDADMM CCc1nc(NCCCCOC)cc(-c2nnn[n-]2)n1 ZINC001590919532 1173543923 /nfs/dbraw/zinc/54/39/23/1173543923.db2.gz KYQZNCMPALLKNC-UHFFFAOYSA-N -1 1 277.332 1.058 20 0 CDADMM CCc1nc(NCCCCOC)cc(-c2nn[n-]n2)n1 ZINC001590919532 1173543931 /nfs/dbraw/zinc/54/39/31/1173543931.db2.gz KYQZNCMPALLKNC-UHFFFAOYSA-N -1 1 277.332 1.058 20 0 CDADMM CCc1nc(SC[C@@H]2CCCO2)cc(-c2nn[n-]n2)n1 ZINC001590925779 1173544879 /nfs/dbraw/zinc/54/48/79/1173544879.db2.gz XFYWLCLKYWAGCU-QMMMGPOBSA-N -1 1 292.368 1.490 20 0 CDADMM CCc1nc(SC[C@@H]2CCCO2)cc(-c2nnn[n-]2)n1 ZINC001590925779 1173544876 /nfs/dbraw/zinc/54/48/76/1173544876.db2.gz XFYWLCLKYWAGCU-QMMMGPOBSA-N -1 1 292.368 1.490 20 0 CDADMM CCc1onc(C)c1CNc1nccnc1-c1nnn[n-]1 ZINC001590937862 1173545731 /nfs/dbraw/zinc/54/57/31/1173545731.db2.gz AXUMCUOXOFIHRV-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CCc1onc(C)c1CNc1nccnc1-c1nn[n-]n1 ZINC001590937862 1173545739 /nfs/dbraw/zinc/54/57/39/1173545739.db2.gz AXUMCUOXOFIHRV-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CCn1nc(C)cc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590965063 1173554202 /nfs/dbraw/zinc/55/42/02/1173554202.db2.gz XBGYKWZDMVCTHB-UHFFFAOYSA-N -1 1 287.283 1.237 20 0 CDADMM COC(=O)c1ccc(NCCC(F)F)c(-c2nnn[n-]2)n1 ZINC001591296500 1173599400 /nfs/dbraw/zinc/59/94/00/1173599400.db2.gz QUPOUADVPCEXNA-UHFFFAOYSA-N -1 1 298.253 1.115 20 0 CDADMM COC(=O)c1ccc(NCCC(F)F)c(-c2nn[n-]n2)n1 ZINC001591296500 1173599404 /nfs/dbraw/zinc/59/94/04/1173599404.db2.gz QUPOUADVPCEXNA-UHFFFAOYSA-N -1 1 298.253 1.115 20 0 CDADMM CO[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001591350263 1173623180 /nfs/dbraw/zinc/62/31/80/1173623180.db2.gz QSXQBTAQPIEYQA-NXEZZACHSA-N -1 1 287.327 1.026 20 0 CDADMM CO[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001591350263 1173623183 /nfs/dbraw/zinc/62/31/83/1173623183.db2.gz QSXQBTAQPIEYQA-NXEZZACHSA-N -1 1 287.327 1.026 20 0 CDADMM CO[C@@H]1C[C@@H](Nc2ccc(C)nc2-c2nnn[n-]2)C1(C)C ZINC001591349000 1173623730 /nfs/dbraw/zinc/62/37/30/1173623730.db2.gz BWUXUJWKHSWJEF-GHMZBOCLSA-N -1 1 288.355 1.796 20 0 CDADMM CO[C@@H]1C[C@@H](Nc2ccc(C)nc2-c2nn[n-]n2)C1(C)C ZINC001591349000 1173623735 /nfs/dbraw/zinc/62/37/35/1173623735.db2.gz BWUXUJWKHSWJEF-GHMZBOCLSA-N -1 1 288.355 1.796 20 0 CDADMM COC/C(C)=C/COc1ccc(F)nc1-c1nn[n-]n1 ZINC001591371889 1173634011 /nfs/dbraw/zinc/63/40/11/1173634011.db2.gz DZCVSWBPNKIAKG-VMPITWQZSA-N -1 1 279.275 1.372 20 0 CDADMM COCC1(CNc2cc(-c3nnn[n-]3)nc(C)n2)CCC1 ZINC001591389968 1173641266 /nfs/dbraw/zinc/64/12/66/1173641266.db2.gz WJRPNPIMRAMVPM-UHFFFAOYSA-N -1 1 289.343 1.194 20 0 CDADMM COCC1(CNc2cc(-c3nn[n-]n3)nc(C)n2)CCC1 ZINC001591389968 1173641270 /nfs/dbraw/zinc/64/12/70/1173641270.db2.gz WJRPNPIMRAMVPM-UHFFFAOYSA-N -1 1 289.343 1.194 20 0 CDADMM COc1ccccc1CN(C)c1cccnc1-c1nnn[n-]1 ZINC001591653417 1173676602 /nfs/dbraw/zinc/67/66/02/1173676602.db2.gz OOJZFPKNKXIHBU-UHFFFAOYSA-N -1 1 296.334 1.907 20 0 CDADMM COc1ccccc1CN(C)c1cccnc1-c1nn[n-]n1 ZINC001591653417 1173676606 /nfs/dbraw/zinc/67/66/06/1173676606.db2.gz OOJZFPKNKXIHBU-UHFFFAOYSA-N -1 1 296.334 1.907 20 0 CDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)o1)[C@H]1CC12CC2 ZINC001591732484 1173694392 /nfs/dbraw/zinc/69/43/92/1173694392.db2.gz HFZXXRCADYIWDL-HTQZYQBOSA-N -1 1 274.280 1.805 20 0 CDADMM C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001591771488 1173699420 /nfs/dbraw/zinc/69/94/20/1173699420.db2.gz ULMCIEYCNRHFRN-VIFPVBQESA-N -1 1 287.323 1.997 20 0 CDADMM C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001591771488 1173699422 /nfs/dbraw/zinc/69/94/22/1173699422.db2.gz ULMCIEYCNRHFRN-VIFPVBQESA-N -1 1 287.323 1.997 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)Cc2ccsc2)n1 ZINC001591884224 1173737768 /nfs/dbraw/zinc/73/77/68/1173737768.db2.gz DGMKMAVCZHWKII-UHFFFAOYSA-N -1 1 287.352 1.663 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)Cc2ccsc2)n1 ZINC001591884224 1173737777 /nfs/dbraw/zinc/73/77/77/1173737777.db2.gz DGMKMAVCZHWKII-UHFFFAOYSA-N -1 1 287.352 1.663 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC001591894920 1173741545 /nfs/dbraw/zinc/74/15/45/1173741545.db2.gz GMNOFUQWMWTTAU-MXWKQRLJSA-N -1 1 285.355 1.813 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC001591894920 1173741553 /nfs/dbraw/zinc/74/15/53/1173741553.db2.gz GMNOFUQWMWTTAU-MXWKQRLJSA-N -1 1 285.355 1.813 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)c2ncccc2C)n1 ZINC001591890649 1173742675 /nfs/dbraw/zinc/74/26/75/1173742675.db2.gz FONLNIYWXQJGRY-SNVBAGLBSA-N -1 1 296.338 1.842 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)c2ncccc2C)n1 ZINC001591890649 1173742682 /nfs/dbraw/zinc/74/26/82/1173742682.db2.gz FONLNIYWXQJGRY-SNVBAGLBSA-N -1 1 296.338 1.842 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(Nc2cnn(CC(C)C)c2)n1 ZINC001591903787 1173744501 /nfs/dbraw/zinc/74/45/01/1173744501.db2.gz SQCLNLMWRUAVGA-UHFFFAOYSA-N -1 1 299.342 1.561 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(Nc2cnn(CC(C)C)c2)n1 ZINC001591903787 1173744505 /nfs/dbraw/zinc/74/45/05/1173744505.db2.gz SQCLNLMWRUAVGA-UHFFFAOYSA-N -1 1 299.342 1.561 20 0 CDADMM Cc1cc(CNc2nc(Cl)c(-c3nnn[n-]3)s2)on1 ZINC001591970408 1173761573 /nfs/dbraw/zinc/76/15/73/1173761573.db2.gz ORBWOPGKTGSKNL-UHFFFAOYSA-N -1 1 297.731 1.885 20 0 CDADMM Cc1cc(CNc2nc(Cl)c(-c3nn[n-]n3)s2)on1 ZINC001591970408 1173761579 /nfs/dbraw/zinc/76/15/79/1173761579.db2.gz ORBWOPGKTGSKNL-UHFFFAOYSA-N -1 1 297.731 1.885 20 0 CDADMM Cc1cc(N2CCC3(CCO3)CC2)cc(-c2nnn[n-]2)n1 ZINC001592005595 1173770854 /nfs/dbraw/zinc/77/08/54/1173770854.db2.gz ZWWHCANCEIDVJR-UHFFFAOYSA-N -1 1 286.339 1.329 20 0 CDADMM Cc1cc(N2CCC3(CCO3)CC2)cc(-c2nn[n-]n2)n1 ZINC001592005595 1173770857 /nfs/dbraw/zinc/77/08/57/1173770857.db2.gz ZWWHCANCEIDVJR-UHFFFAOYSA-N -1 1 286.339 1.329 20 0 CDADMM Cc1cc(NC2CCC(F)(F)CC2)cc(-c2nnn[n-]2)n1 ZINC001592035925 1173779044 /nfs/dbraw/zinc/77/90/44/1173779044.db2.gz ALDKRZXOIPYZKF-UHFFFAOYSA-N -1 1 294.309 1.982 20 0 CDADMM Cc1cc(NC2CCC(F)(F)CC2)cc(-c2nn[n-]n2)n1 ZINC001592035925 1173779050 /nfs/dbraw/zinc/77/90/50/1173779050.db2.gz ALDKRZXOIPYZKF-UHFFFAOYSA-N -1 1 294.309 1.982 20 0 CDADMM Cc1cc(NCC2(CCO)CCC2)cc(-c2nnn[n-]2)n1 ZINC001592042441 1173783462 /nfs/dbraw/zinc/78/34/62/1173783462.db2.gz FTTFUUFJYKZSAC-UHFFFAOYSA-N -1 1 288.355 1.535 20 0 CDADMM Cc1cc(NCC2(CCO)CCC2)cc(-c2nn[n-]n2)n1 ZINC001592042441 1173783466 /nfs/dbraw/zinc/78/34/66/1173783466.db2.gz FTTFUUFJYKZSAC-UHFFFAOYSA-N -1 1 288.355 1.535 20 0 CDADMM Cc1cc(NCCc2cncc(C)n2)nc(-c2nnn[n-]2)c1 ZINC001592050807 1173785621 /nfs/dbraw/zinc/78/56/21/1173785621.db2.gz FCUXJJGKIYPEPD-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1cc(NCCc2cncc(C)n2)nc(-c2nn[n-]n2)c1 ZINC001592050807 1173785627 /nfs/dbraw/zinc/78/56/27/1173785627.db2.gz FCUXJJGKIYPEPD-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@@H]1CCOC[C@@H]1C ZINC001592113723 1173805898 /nfs/dbraw/zinc/80/58/98/1173805898.db2.gz IREKMSKBHKMFSC-VHSXEESVSA-N -1 1 274.328 1.407 20 0 CDADMM Cc1ccc(CSc2cc(-c3nnn[n-]3)ncn2)o1 ZINC001592169615 1173820785 /nfs/dbraw/zinc/82/07/85/1173820785.db2.gz WGHZSLBXTGTVTB-UHFFFAOYSA-N -1 1 274.309 1.850 20 0 CDADMM Cc1ccc(CSc2cc(-c3nn[n-]n3)ncn2)o1 ZINC001592169615 1173820789 /nfs/dbraw/zinc/82/07/89/1173820789.db2.gz WGHZSLBXTGTVTB-UHFFFAOYSA-N -1 1 274.309 1.850 20 0 CDADMM Cc1ccc(N2CCO[C@H](C)[C@H]2C)nc1-c1nnn[n-]1 ZINC001592175568 1173823130 /nfs/dbraw/zinc/82/31/30/1173823130.db2.gz JRKIIXXPQMJPJS-NXEZZACHSA-N -1 1 274.328 1.184 20 0 CDADMM Cc1ccc(N2CCO[C@H](C)[C@H]2C)nc1-c1nn[n-]n1 ZINC001592175568 1173823133 /nfs/dbraw/zinc/82/31/33/1173823133.db2.gz JRKIIXXPQMJPJS-NXEZZACHSA-N -1 1 274.328 1.184 20 0 CDADMM Cc1ccc(N2CC[C@H](C(C)(C)O)C2)nc1-c1nnn[n-]1 ZINC001592175323 1173823294 /nfs/dbraw/zinc/82/32/94/1173823294.db2.gz PGEATUBRCVLTAK-JTQLQIEISA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(N2CC[C@H](C(C)(C)O)C2)nc1-c1nn[n-]n1 ZINC001592175323 1173823300 /nfs/dbraw/zinc/82/33/00/1173823300.db2.gz PGEATUBRCVLTAK-JTQLQIEISA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(N2CC[C@@H](C)[C@@H]2C)c(-c2nnn[n-]2)n1 ZINC001592176273 1173823510 /nfs/dbraw/zinc/82/35/10/1173823510.db2.gz YQBXABNMDIUIPI-SCZZXKLOSA-N -1 1 258.329 1.805 20 0 CDADMM Cc1ccc(N2CC[C@@H](C)[C@@H]2C)c(-c2nn[n-]n2)n1 ZINC001592176273 1173823516 /nfs/dbraw/zinc/82/35/16/1173823516.db2.gz YQBXABNMDIUIPI-SCZZXKLOSA-N -1 1 258.329 1.805 20 0 CDADMM Cc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001592182482 1173824993 /nfs/dbraw/zinc/82/49/93/1173824993.db2.gz PGJRJCFCUIVIJF-UHFFFAOYSA-N -1 1 294.318 1.751 20 0 CDADMM Cc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001592182482 1173824995 /nfs/dbraw/zinc/82/49/95/1173824995.db2.gz PGJRJCFCUIVIJF-UHFFFAOYSA-N -1 1 294.318 1.751 20 0 CDADMM Cc1ccc(N2CCC[C@@H]([C@@H](C)O)C2)nc1-c1nnn[n-]1 ZINC001592177845 1173825577 /nfs/dbraw/zinc/82/55/77/1173825577.db2.gz LVPKDEQVUZTXTE-GHMZBOCLSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(N2CCC[C@@H]([C@@H](C)O)C2)nc1-c1nn[n-]n1 ZINC001592177845 1173825581 /nfs/dbraw/zinc/82/55/81/1173825581.db2.gz LVPKDEQVUZTXTE-GHMZBOCLSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(NC[C@H]2CCCS2)nc1-c1nnn[n-]1 ZINC001592183143 1173826413 /nfs/dbraw/zinc/82/64/13/1173826413.db2.gz NSTYSCYLKHHKCP-SECBINFHSA-N -1 1 276.369 1.878 20 0 CDADMM Cc1ccc(NC[C@H]2CCCS2)nc1-c1nn[n-]n1 ZINC001592183143 1173826415 /nfs/dbraw/zinc/82/64/15/1173826415.db2.gz NSTYSCYLKHHKCP-SECBINFHSA-N -1 1 276.369 1.878 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]2C2CCCC2)n1 ZINC001592337563 1173858967 /nfs/dbraw/zinc/85/89/67/1173858967.db2.gz KULPEWRDBCQRFL-GFCCVEGCSA-N -1 1 285.355 1.734 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]2C2CCCC2)n1 ZINC001592337563 1173858972 /nfs/dbraw/zinc/85/89/72/1173858972.db2.gz KULPEWRDBCQRFL-GFCCVEGCSA-N -1 1 285.355 1.734 20 0 CDADMM Cc1nc(N[C@@H](C)Cc2ccco2)cc(-c2nnn[n-]2)n1 ZINC001592380993 1173872184 /nfs/dbraw/zinc/87/21/84/1173872184.db2.gz SNDIEFODBOOIBY-QMMMGPOBSA-N -1 1 285.311 1.601 20 0 CDADMM Cc1nc(N[C@@H](C)Cc2ccco2)cc(-c2nn[n-]n2)n1 ZINC001592380993 1173872191 /nfs/dbraw/zinc/87/21/91/1173872191.db2.gz SNDIEFODBOOIBY-QMMMGPOBSA-N -1 1 285.311 1.601 20 0 CDADMM Cc1nc(S[C@@H]2CCO[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592397265 1173881225 /nfs/dbraw/zinc/88/12/25/1173881225.db2.gz MLLQTEWWMPVFGG-HZGVNTEJSA-N -1 1 278.341 1.235 20 0 CDADMM Cc1nc(S[C@@H]2CCO[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592397265 1173881235 /nfs/dbraw/zinc/88/12/35/1173881235.db2.gz MLLQTEWWMPVFGG-HZGVNTEJSA-N -1 1 278.341 1.235 20 0 CDADMM Cc1noc(C)c1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001592459315 1173896802 /nfs/dbraw/zinc/89/68/02/1173896802.db2.gz DBZATMDRGKGIQS-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1noc(C)c1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001592459315 1173896809 /nfs/dbraw/zinc/89/68/09/1173896809.db2.gz DBZATMDRGKGIQS-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1noc(C)c1Cn1c(C)c(C)nc1-c1nnn[n-]1 ZINC001592459333 1173897119 /nfs/dbraw/zinc/89/71/19/1173897119.db2.gz FMSUGCZBWZJHHN-UHFFFAOYSA-N -1 1 273.300 1.333 20 0 CDADMM Cc1noc(C)c1Cn1c(C)c(C)nc1-c1nn[n-]n1 ZINC001592459333 1173897122 /nfs/dbraw/zinc/89/71/22/1173897122.db2.gz FMSUGCZBWZJHHN-UHFFFAOYSA-N -1 1 273.300 1.333 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1cscn1 ZINC001592504001 1173907600 /nfs/dbraw/zinc/90/76/00/1173907600.db2.gz OWIOBXTZFDNRMB-UHFFFAOYSA-N -1 1 291.292 1.582 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1cscn1 ZINC001592504001 1173907604 /nfs/dbraw/zinc/90/76/04/1173907604.db2.gz OWIOBXTZFDNRMB-UHFFFAOYSA-N -1 1 291.292 1.582 20 0 CDADMM Clc1ccc(Cl)c(Cn2cc(-c3nn[n-]n3)nn2)n1 ZINC001592531295 1173913801 /nfs/dbraw/zinc/91/38/01/1173913801.db2.gz BXNGTYGYCCBDJV-UHFFFAOYSA-N -1 1 297.109 1.208 20 0 CDADMM FC(F)[C@H]1CCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001592623255 1173933556 /nfs/dbraw/zinc/93/35/56/1173933556.db2.gz DNWTYQNERHDLRV-GSVOUGTGSA-N -1 1 292.702 1.820 20 0 CDADMM FC(F)[C@H]1CCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001592623255 1173933564 /nfs/dbraw/zinc/93/35/64/1173933564.db2.gz DNWTYQNERHDLRV-GSVOUGTGSA-N -1 1 292.702 1.820 20 0 CDADMM F[C@]1(c2ccccc2)C[C@H]1Nc1ncncc1-c1nn[n-]n1 ZINC001592630331 1173938482 /nfs/dbraw/zinc/93/84/82/1173938482.db2.gz IPUONIKOYXWMDR-RISCZKNCSA-N -1 1 297.297 1.706 20 0 CDADMM Fc1cccc(OCOC2CCOCC2)c1-c1nnn[n-]1 ZINC001592658524 1173957005 /nfs/dbraw/zinc/95/70/05/1173957005.db2.gz RGUQZZPEDQOYHW-UHFFFAOYSA-N -1 1 294.286 1.538 20 0 CDADMM Fc1cccc(OCOC2CCOCC2)c1-c1nn[n-]n1 ZINC001592658524 1173957011 /nfs/dbraw/zinc/95/70/11/1173957011.db2.gz RGUQZZPEDQOYHW-UHFFFAOYSA-N -1 1 294.286 1.538 20 0 CDADMM O=C(Cn1cc(-c2nn[n-]n2)nn1)c1ccc(Cl)s1 ZINC001592936860 1174005770 /nfs/dbraw/zinc/00/57/70/1174005770.db2.gz ILFZMZLTOGKEAJ-UHFFFAOYSA-N -1 1 295.715 1.056 20 0 CDADMM O=C(NC1(C2CCC2)CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001592957015 1174006652 /nfs/dbraw/zinc/00/66/52/1174006652.db2.gz UFEZNEZOHSOPAM-UHFFFAOYSA-N -1 1 284.323 1.324 20 0 CDADMM O=C(NC1(C2CCC2)CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001592957015 1174006654 /nfs/dbraw/zinc/00/66/54/1174006654.db2.gz UFEZNEZOHSOPAM-UHFFFAOYSA-N -1 1 284.323 1.324 20 0 CDADMM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1ccsc1-c1nnn[n-]1 ZINC001593003479 1174012294 /nfs/dbraw/zinc/01/22/94/1174012294.db2.gz GGIKKVGMRHDAPS-QMSLJYSESA-N -1 1 275.337 1.457 20 0 CDADMM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1ccsc1-c1nn[n-]n1 ZINC001593003479 1174012299 /nfs/dbraw/zinc/01/22/99/1174012299.db2.gz GGIKKVGMRHDAPS-QMSLJYSESA-N -1 1 275.337 1.457 20 0 CDADMM O=C(NCCC1(F)CCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001593059165 1174017442 /nfs/dbraw/zinc/01/74/42/1174017442.db2.gz PRAFXNNIVHTDAK-UHFFFAOYSA-N -1 1 279.275 1.472 20 0 CDADMM O=C(NCCC1(F)CCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001593059165 1174017450 /nfs/dbraw/zinc/01/74/50/1174017450.db2.gz PRAFXNNIVHTDAK-UHFFFAOYSA-N -1 1 279.275 1.472 20 0 CDADMM O=C(NC[C@@H]1CCCS1)c1coc(-c2nnn[n-]2)c1 ZINC001593039262 1174019177 /nfs/dbraw/zinc/01/91/77/1174019177.db2.gz VBOVUJBIEVCVGM-QMMMGPOBSA-N -1 1 279.325 1.085 20 0 CDADMM O=C(NC[C@@H]1CCCS1)c1coc(-c2nn[n-]n2)c1 ZINC001593039262 1174019185 /nfs/dbraw/zinc/01/91/85/1174019185.db2.gz VBOVUJBIEVCVGM-QMMMGPOBSA-N -1 1 279.325 1.085 20 0 CDADMM O=C(NCCc1ccco1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593105735 1174019765 /nfs/dbraw/zinc/01/97/65/1174019765.db2.gz OYWFSFJMVVEHDT-UHFFFAOYSA-N -1 1 299.294 1.219 20 0 CDADMM O=C(NCCc1ccco1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593105735 1174019770 /nfs/dbraw/zinc/01/97/70/1174019770.db2.gz OYWFSFJMVVEHDT-UHFFFAOYSA-N -1 1 299.294 1.219 20 0 CDADMM O=C(NOC1CCCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593166202 1174025873 /nfs/dbraw/zinc/02/58/73/1174025873.db2.gz AWKUKOKRBPDUMX-UHFFFAOYSA-N -1 1 289.299 1.257 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1C[C@H]1C1CCC1 ZINC001593202471 1174032557 /nfs/dbraw/zinc/03/25/57/1174032557.db2.gz AHOIBCAGWOOGOK-WDEREUQCSA-N -1 1 299.334 1.947 20 0 CDADMM O=C(Nc1ccc(F)c(F)c1)c1coc(-c2nnn[n-]2)c1 ZINC001593230651 1174038300 /nfs/dbraw/zinc/03/83/00/1174038300.db2.gz NVFBKNMFWZBRGR-UHFFFAOYSA-N -1 1 291.217 1.990 20 0 CDADMM O=C(Nc1ccc(F)c(F)c1)c1coc(-c2nn[n-]n2)c1 ZINC001593230651 1174038309 /nfs/dbraw/zinc/03/83/09/1174038309.db2.gz NVFBKNMFWZBRGR-UHFFFAOYSA-N -1 1 291.217 1.990 20 0 CDADMM O=C(O[C@H]1CCC12CCC2)c1cccc(-c2nnn[n-]2)n1 ZINC001593281244 1174048795 /nfs/dbraw/zinc/04/87/95/1174048795.db2.gz GQBZOCNRTVPJMF-NSHDSACASA-N -1 1 285.307 1.751 20 0 CDADMM O=C(O[C@H]1CCC12CCC2)c1cccc(-c2nn[n-]n2)n1 ZINC001593281244 1174048800 /nfs/dbraw/zinc/04/88/00/1174048800.db2.gz GQBZOCNRTVPJMF-NSHDSACASA-N -1 1 285.307 1.751 20 0 CDADMM O=C(OCc1cncs1)c1ccc(-c2nn[n-]n2)o1 ZINC001593303062 1174060007 /nfs/dbraw/zinc/06/00/07/1174060007.db2.gz GMTOUKMKVSEXIO-UHFFFAOYSA-N -1 1 277.265 1.273 20 0 CDADMM O=C(O[C@@H]1CCSC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593308417 1174063988 /nfs/dbraw/zinc/06/39/88/1174063988.db2.gz ZXCSLGYMCYFBKA-SSDOTTSWSA-N -1 1 294.311 1.668 20 0 CDADMM O=C(O[C@@H]1CCSC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593308417 1174063994 /nfs/dbraw/zinc/06/39/94/1174063994.db2.gz ZXCSLGYMCYFBKA-SSDOTTSWSA-N -1 1 294.311 1.668 20 0 CDADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@H](F)C1 ZINC001593349753 1174067663 /nfs/dbraw/zinc/06/76/63/1174067663.db2.gz FEAWQWLXSMOWQG-ZETCQYMHSA-N -1 1 279.250 1.190 20 0 CDADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@H](F)C1 ZINC001593349753 1174067668 /nfs/dbraw/zinc/06/76/68/1174067668.db2.gz FEAWQWLXSMOWQG-ZETCQYMHSA-N -1 1 279.250 1.190 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1ccc[nH]1 ZINC001593368221 1174071675 /nfs/dbraw/zinc/07/16/75/1174071675.db2.gz WUISXIKBGQFMEO-LLVKDONJSA-N -1 1 298.306 1.765 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1ccc[nH]1 ZINC001593368221 1174071678 /nfs/dbraw/zinc/07/16/78/1174071678.db2.gz WUISXIKBGQFMEO-LLVKDONJSA-N -1 1 298.306 1.765 20 0 CDADMM O=Cc1ccccc1OCc1ccc(-c2nnn[n-]2)o1 ZINC001593415961 1174075831 /nfs/dbraw/zinc/07/58/31/1174075831.db2.gz KMIKOYSVZRHQFS-UHFFFAOYSA-N -1 1 270.248 1.851 20 0 CDADMM O=Cc1ccccc1OCc1ccc(-c2nn[n-]n2)o1 ZINC001593415961 1174075840 /nfs/dbraw/zinc/07/58/40/1174075840.db2.gz KMIKOYSVZRHQFS-UHFFFAOYSA-N -1 1 270.248 1.851 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1ccc(Cl)cn1 ZINC001593494512 1174087066 /nfs/dbraw/zinc/08/70/66/1174087066.db2.gz TVTUFEWGKJZTEG-UHFFFAOYSA-N -1 1 288.698 1.125 20 0 CDADMM Oc1cccc2c1C[C@@H](Nc1cccc(-c3nnn[n-]3)n1)C2 ZINC001593540385 1174111576 /nfs/dbraw/zinc/11/15/76/1174111576.db2.gz TWSZPJSLXGTGEQ-JTQLQIEISA-N -1 1 294.318 1.547 20 0 CDADMM Oc1cccc2c1C[C@@H](Nc1cccc(-c3nn[n-]n3)n1)C2 ZINC001593540385 1174111578 /nfs/dbraw/zinc/11/15/78/1174111578.db2.gz TWSZPJSLXGTGEQ-JTQLQIEISA-N -1 1 294.318 1.547 20 0 CDADMM Oc1ccccc1CCNc1cc(-c2nnn[n-]2)ncn1 ZINC001593540183 1174113074 /nfs/dbraw/zinc/11/30/74/1174113074.db2.gz QKVSXLCGWKEDSM-UHFFFAOYSA-N -1 1 283.295 1.017 20 0 CDADMM Oc1ccccc1CCNc1cc(-c2nn[n-]n2)ncn1 ZINC001593540183 1174113081 /nfs/dbraw/zinc/11/30/81/1174113081.db2.gz QKVSXLCGWKEDSM-UHFFFAOYSA-N -1 1 283.295 1.017 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001593551539 1174123295 /nfs/dbraw/zinc/12/32/95/1174123295.db2.gz NCHZQDGKUYJDLJ-IVZWLZJFSA-N -1 1 271.328 1.505 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001593551539 1174123300 /nfs/dbraw/zinc/12/33/00/1174123300.db2.gz NCHZQDGKUYJDLJ-IVZWLZJFSA-N -1 1 271.328 1.505 20 0 CDADMM c1cc(CSc2cc(-c3nnn[n-]3)ncn2)ccn1 ZINC001593557558 1174131830 /nfs/dbraw/zinc/13/18/30/1174131830.db2.gz ZKEBGOBUOUXUSY-UHFFFAOYSA-N -1 1 271.309 1.344 20 0 CDADMM c1cc(CSc2cc(-c3nn[n-]n3)ncn2)ccn1 ZINC001593557558 1174131844 /nfs/dbraw/zinc/13/18/44/1174131844.db2.gz ZKEBGOBUOUXUSY-UHFFFAOYSA-N -1 1 271.309 1.344 20 0 CDADMM c1ccc(C2(CNc3ccnc(-c4nnn[n-]4)c3)CC2)cc1 ZINC001593571451 1174143035 /nfs/dbraw/zinc/14/30/35/1174143035.db2.gz SVZKDEWGQHYTNW-UHFFFAOYSA-N -1 1 292.346 1.827 20 0 CDADMM c1ccc(C2(CNc3ccnc(-c4nn[n-]n4)c3)CC2)cc1 ZINC001593571451 1174143038 /nfs/dbraw/zinc/14/30/38/1174143038.db2.gz SVZKDEWGQHYTNW-UHFFFAOYSA-N -1 1 292.346 1.827 20 0 CDADMM c1ccc([C@H]2CCCN2c2ncncc2-c2nn[n-]n2)nc1 ZINC001593572699 1174145984 /nfs/dbraw/zinc/14/59/84/1174145984.db2.gz DSKAAJVPFCEBJZ-GFCCVEGCSA-N -1 1 294.322 1.393 20 0 CDADMM c1ccc(C2CN(c3ccnc(-c4nnn[n-]4)c3)C2)nc1 ZINC001593574209 1174146123 /nfs/dbraw/zinc/14/61/23/1174146123.db2.gz XSZJSGQPSJVMTB-UHFFFAOYSA-N -1 1 279.307 1.261 20 0 CDADMM c1ccc(C2CN(c3ccnc(-c4nn[n-]n4)c3)C2)nc1 ZINC001593574209 1174146125 /nfs/dbraw/zinc/14/61/25/1174146125.db2.gz XSZJSGQPSJVMTB-UHFFFAOYSA-N -1 1 279.307 1.261 20 0 CDADMM c1ccc2c(c1)CC[C@H](Nc1cncc(-c3nnn[n-]3)n1)C2 ZINC001593581767 1174147560 /nfs/dbraw/zinc/14/75/60/1174147560.db2.gz VEAUZTBAJKXYHA-LBPRGKRZSA-N -1 1 293.334 1.626 20 0 CDADMM c1ccc2c(c1)CC[C@H](Nc1cncc(-c3nn[n-]n3)n1)C2 ZINC001593581767 1174147564 /nfs/dbraw/zinc/14/75/64/1174147564.db2.gz VEAUZTBAJKXYHA-LBPRGKRZSA-N -1 1 293.334 1.626 20 0 CDADMM c1nc(NC[C@@H]2CCC[C@H]2C2CC2)cc(-c2nnn[n-]2)n1 ZINC001593590625 1174157985 /nfs/dbraw/zinc/15/79/85/1174157985.db2.gz AKHNBOZEEQUZBT-QWRGUYRKSA-N -1 1 285.355 1.895 20 0 CDADMM c1nc(NC[C@@H]2CCC[C@H]2C2CC2)cc(-c2nn[n-]n2)n1 ZINC001593590625 1174157987 /nfs/dbraw/zinc/15/79/87/1174157987.db2.gz AKHNBOZEEQUZBT-QWRGUYRKSA-N -1 1 285.355 1.895 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1N[C@@H]1C[C@H]2CCC[C@H]21 ZINC001593590303 1174158341 /nfs/dbraw/zinc/15/83/41/1174158341.db2.gz NONJZMMLWRLESN-IWSPIJDZSA-N -1 1 257.301 1.257 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1N[C@@H]1C[C@H]2CCC[C@H]21 ZINC001593590303 1174158346 /nfs/dbraw/zinc/15/83/46/1174158346.db2.gz NONJZMMLWRLESN-IWSPIJDZSA-N -1 1 257.301 1.257 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC001593594660 1174162303 /nfs/dbraw/zinc/16/23/03/1174162303.db2.gz FKDDUTMHEYUHST-AXTRIDKLSA-N -1 1 299.338 1.026 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC001593594660 1174162307 /nfs/dbraw/zinc/16/23/07/1174162307.db2.gz FKDDUTMHEYUHST-AXTRIDKLSA-N -1 1 299.338 1.026 20 0 CDADMM c1ncc(N2CC[C@@H]3CCCC[C@@H]32)nc1-c1nnn[n-]1 ZINC001593593585 1174162792 /nfs/dbraw/zinc/16/27/92/1174162792.db2.gz QDYJBPTYDVJYGH-ONGXEEELSA-N -1 1 271.328 1.426 20 0 CDADMM c1ncc(N2CC[C@@H]3CCCC[C@@H]32)nc1-c1nn[n-]n1 ZINC001593593585 1174162795 /nfs/dbraw/zinc/16/27/95/1174162795.db2.gz QDYJBPTYDVJYGH-ONGXEEELSA-N -1 1 271.328 1.426 20 0 CDADMM c1sc(CSC[C@H]2CCCOC2)nc1-c1nn[n-]n1 ZINC001593595353 1174165423 /nfs/dbraw/zinc/16/54/23/1174165423.db2.gz NCGOMUJMKFQGTH-QMMMGPOBSA-N -1 1 297.409 1.983 20 0 CDADMM c1sc(CSC[C@H]2CCCOC2)nc1-c1nnn[n-]1 ZINC001593595353 1174165419 /nfs/dbraw/zinc/16/54/19/1174165419.db2.gz NCGOMUJMKFQGTH-QMMMGPOBSA-N -1 1 297.409 1.983 20 0 CDADMM C[C@@H]1CCC[C@@H](C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)C1 ZINC001594340158 1174183340 /nfs/dbraw/zinc/18/33/40/1174183340.db2.gz NXHANRZLZGTVCR-HZSPNIEDSA-N -1 1 296.411 1.820 20 0 CDADMM Cc1cc(C(=O)N2CCNC[C@@H]2C(C)C)oc1C(=O)[O-] ZINC001600084275 1174356121 /nfs/dbraw/zinc/35/61/21/1174356121.db2.gz FUFWPYZZWNRHMV-SNVBAGLBSA-N -1 1 280.324 1.356 20 0 CDADMM Cc1cc(C(=O)[O-])oc1C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC001600129032 1174370376 /nfs/dbraw/zinc/37/03/76/1174370376.db2.gz FODBWEQAPVPSAG-RKDXNWHRSA-N -1 1 266.297 1.109 20 0 CDADMM Cc1cc(C)n(CCN(C)Cc2ccc(C(=O)[O-])cn2)n1 ZINC001600180339 1174389574 /nfs/dbraw/zinc/38/95/74/1174389574.db2.gz NIIRHQCXSMSAGR-UHFFFAOYSA-N -1 1 288.351 1.725 20 0 CDADMM Cc1cc(C[C@@H](C)NC(=O)NC2CC(CC(=O)[O-])C2)n[nH]1 ZINC001600188613 1174391293 /nfs/dbraw/zinc/39/12/93/1174391293.db2.gz GYWDKDXCRXIQBN-MFAVDMRSSA-N -1 1 294.355 1.202 20 0 CDADMM Cc1cc(CN)oc1C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC001600191345 1174395403 /nfs/dbraw/zinc/39/54/03/1174395403.db2.gz GREDZCHRBPCRKN-SNVBAGLBSA-N -1 1 294.332 1.664 20 0 CDADMM Cc1cc(CN[C@H](C)c2cncc(C(=O)[O-])c2)n(C)n1 ZINC001600203672 1174405754 /nfs/dbraw/zinc/40/57/54/1174405754.db2.gz SCNUKZVODVGXGL-SNVBAGLBSA-N -1 1 274.324 1.673 20 0 CDADMM Cc1n[nH]nc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001600675932 1174559895 /nfs/dbraw/zinc/55/98/95/1174559895.db2.gz XANLXYGGWVLGIB-MNOVXSKESA-N -1 1 286.291 1.156 20 0 CDADMM Cc1[nH+]c(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)ccc1C(=O)[O-] ZINC001600711393 1174575831 /nfs/dbraw/zinc/57/58/31/1174575831.db2.gz CFNRNOBJFDLMBQ-NWDGAFQWSA-N -1 1 290.319 1.635 20 0 CDADMM Cc1[nH+]c(N[C@H]2C[C@@H](C(=O)[O-])C2)ccc1C(=O)[O-] ZINC001600717899 1174579225 /nfs/dbraw/zinc/57/92/25/1174579225.db2.gz NVVHYRMAKPGIHA-OCAPTIKFSA-N -1 1 250.254 1.363 20 0 CDADMM Cc1oc(C(=O)[O-])cc1CN(C)C1CCS(=O)CC1 ZINC001600829063 1174634597 /nfs/dbraw/zinc/63/45/97/1174634597.db2.gz NRZFZUBUOOVCRM-UHFFFAOYSA-N -1 1 285.365 1.629 20 0 CDADMM Cn1cc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cn1 ZINC001600933305 1174667932 /nfs/dbraw/zinc/66/79/32/1174667932.db2.gz WMWWICZQXLICRJ-UHFFFAOYSA-N -1 1 285.263 1.247 20 0 CDADMM Nc1ccnc(CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001601219021 1174795823 /nfs/dbraw/zinc/79/58/23/1174795823.db2.gz UNPNOLBPDZQBON-NXEZZACHSA-N -1 1 277.324 1.171 20 0 CDADMM O=C([O-])[C@@H](NCC(=O)NC1CCCC1)C1CCCCC1 ZINC001601325464 1174833508 /nfs/dbraw/zinc/83/35/08/1174833508.db2.gz OWERVHKDZCNRQF-AWEZNQCLSA-N -1 1 282.384 1.668 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2nc(-c3ccncc3)n[nH]2)c[nH]1 ZINC001601633174 1174918024 /nfs/dbraw/zinc/91/80/24/1174918024.db2.gz IBNOXLMIWRVBSD-UHFFFAOYSA-N -1 1 298.262 1.145 20 0 CDADMM O=C([O-])[C@@H]1CCN(Cc2ccns2)[C@@H]([C@H]2CCCO2)C1 ZINC001601827719 1175025820 /nfs/dbraw/zinc/02/58/20/1175025820.db2.gz FINAOQOJMCBYTQ-RAIGVLPGSA-N -1 1 296.392 1.987 20 0 CDADMM O=C([O-])[C@H]1CCN1C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC001601835098 1175029843 /nfs/dbraw/zinc/02/98/43/1175029843.db2.gz VTUVMPZOCNGXFK-ZIAGYGMSSA-N -1 1 288.347 1.337 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)[C@@H]2C1 ZINC001601863523 1175042168 /nfs/dbraw/zinc/04/21/68/1175042168.db2.gz ZEQUIRGXAATLOH-ZKSVUJDCSA-N -1 1 289.335 1.129 20 0 CDADMM O=C([O-])/C=C/c1ccc(CN2CCC[C@H](OCCO)C2)o1 ZINC001601879542 1175049058 /nfs/dbraw/zinc/04/90/58/1175049058.db2.gz LPHNRHVFFVOIIA-GFUIURDCSA-N -1 1 295.335 1.351 20 0 CDADMM O=C([O-])CC1(NC(=O)c2cc(F)cc(F)c2O)CCC1 ZINC001601930345 1175071141 /nfs/dbraw/zinc/07/11/41/1175071141.db2.gz UDRUEEUBIUZCBQ-UHFFFAOYSA-N -1 1 285.246 1.798 20 0 CDADMM O=C([O-])C[C@@]1(NCc2ccnc(Cl)c2F)CCOC1 ZINC001601935954 1175073576 /nfs/dbraw/zinc/07/35/76/1175073576.db2.gz JBUOIZNXPDFNAJ-LBPRGKRZSA-N -1 1 288.706 1.598 20 0 CDADMM O=C([O-])C[C@H]1CCCCN1CN1CC(F)(F)CC1=O ZINC001601949676 1175082845 /nfs/dbraw/zinc/08/28/45/1175082845.db2.gz UNGXTUXKHZZJNF-SECBINFHSA-N -1 1 276.283 1.141 20 0 CDADMM O=C([O-])C[C@@H]1CCCN1CN1Cc2ccc(F)cc2C1=O ZINC001601955311 1175084705 /nfs/dbraw/zinc/08/47/05/1175084705.db2.gz VFVDKATTWIPFLO-LBPRGKRZSA-N -1 1 292.310 1.678 20 0 CDADMM O=C([O-])C[C@H]1CCC[N@H+]1CC(=O)[N-]OCc1ccccc1 ZINC001601954890 1175084741 /nfs/dbraw/zinc/08/47/41/1175084741.db2.gz CZYSTLDMLBANCM-CYBMUJFWSA-N -1 1 292.335 1.174 20 0 CDADMM O=C([O-])CC[N@@H+](CC(=O)[O-])[C@H]1CCCc2ccccc21 ZINC001602005281 1175108041 /nfs/dbraw/zinc/10/80/41/1175108041.db2.gz ZOJITLVRMCTJDU-ZDUSSCGKSA-N -1 1 277.320 1.925 20 0 CDADMM O=C([O-])c1ccc(CN2CCC(C3OCCO3)CC2)nc1 ZINC001602336650 1175209723 /nfs/dbraw/zinc/20/97/23/1175209723.db2.gz KLASFQAIWGGJDX-UHFFFAOYSA-N -1 1 292.335 1.365 20 0 CDADMM O=C([O-])c1ccc(CN[C@@]2(CCO)CCOC2)c(F)c1 ZINC001602344922 1175217783 /nfs/dbraw/zinc/21/77/83/1175217783.db2.gz XNZVCUBZOMXIBK-AWEZNQCLSA-N -1 1 283.299 1.155 20 0 CDADMM O=C([O-])c1ccc(CNCc2cnn(CC3CCC3)c2)[nH]1 ZINC001602348256 1175220522 /nfs/dbraw/zinc/22/05/22/1175220522.db2.gz LYNPSEQIUQAJLM-UHFFFAOYSA-N -1 1 288.351 1.999 20 0 CDADMM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)c1cnc(C2CC2)[nH]1 ZINC001602624753 1175328304 /nfs/dbraw/zinc/32/83/04/1175328304.db2.gz HNLALBBRKIEAHO-OTYXRUKQSA-N -1 1 275.308 1.366 20 0 CDADMM C/C(=C/C(=O)OCc1cccnc1-c1nnn[n-]1)C1CC1 ZINC001602902417 1175447990 /nfs/dbraw/zinc/44/79/90/1175447990.db2.gz XXYOANOSGVFFKR-CLFYSBASSA-N -1 1 285.307 1.661 20 0 CDADMM C/C(=C/C(=O)OCc1cccnc1-c1nn[n-]n1)C1CC1 ZINC001602902417 1175447991 /nfs/dbraw/zinc/44/79/91/1175447991.db2.gz XXYOANOSGVFFKR-CLFYSBASSA-N -1 1 285.307 1.661 20 0 CDADMM CC(C)(C)[C@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001603064520 1175483807 /nfs/dbraw/zinc/48/38/07/1175483807.db2.gz DOHLIEDLQYCBTN-JTQLQIEISA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)(C)[C@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001603064520 1175483810 /nfs/dbraw/zinc/48/38/10/1175483810.db2.gz DOHLIEDLQYCBTN-JTQLQIEISA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)[C@@H]1C[C@@H]1COC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603243751 1175523978 /nfs/dbraw/zinc/52/39/78/1175523978.db2.gz HOSIAYKLIXKNMT-SCZZXKLOSA-N -1 1 276.296 1.909 20 0 CDADMM CC(C)[C@@H]1C[C@@H]1COC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001603243751 1175523982 /nfs/dbraw/zinc/52/39/82/1175523982.db2.gz HOSIAYKLIXKNMT-SCZZXKLOSA-N -1 1 276.296 1.909 20 0 CDADMM CC(C)[C@@H]1N(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001603251312 1175525926 /nfs/dbraw/zinc/52/59/26/1175525926.db2.gz FACQKJDPFIXSHS-NSHDSACASA-N -1 1 273.344 1.528 20 0 CDADMM CC(C)[C@@H]1N(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001603251312 1175525931 /nfs/dbraw/zinc/52/59/31/1175525931.db2.gz FACQKJDPFIXSHS-NSHDSACASA-N -1 1 273.344 1.528 20 0 CDADMM CC(C)c1ccc(C(=O)Cn2cc(-c3nn[n-]n3)nn2)cc1 ZINC001603395769 1175552159 /nfs/dbraw/zinc/55/21/59/1175552159.db2.gz YJWYRQNPOJCRDF-UHFFFAOYSA-N -1 1 297.322 1.465 20 0 CDADMM C[C@H](CC(=O)Nc1cccc(-c2nnn[n-]2)n1)n1cccc1 ZINC001603449413 1175554954 /nfs/dbraw/zinc/55/49/54/1175554954.db2.gz QFAYKUFTNGRRNH-SNVBAGLBSA-N -1 1 297.322 1.653 20 0 CDADMM C[C@H](CC(=O)Nc1cccc(-c2nn[n-]n2)n1)n1cccc1 ZINC001603449413 1175554960 /nfs/dbraw/zinc/55/49/60/1175554960.db2.gz QFAYKUFTNGRRNH-SNVBAGLBSA-N -1 1 297.322 1.653 20 0 CDADMM C[C@H](Cc1cccnc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001603584777 1175571512 /nfs/dbraw/zinc/57/15/12/1175571512.db2.gz HLKVTPJDFFVHIO-SECBINFHSA-N -1 1 282.311 1.095 20 0 CDADMM C[C@H](Cc1cccnc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001603584777 1175571519 /nfs/dbraw/zinc/57/15/19/1175571519.db2.gz HLKVTPJDFFVHIO-SECBINFHSA-N -1 1 282.311 1.095 20 0 CDADMM C[C@H](F)CCNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001603599434 1175575860 /nfs/dbraw/zinc/57/58/60/1175575860.db2.gz RKZAONZWRFIKRM-ZETCQYMHSA-N -1 1 279.279 1.131 20 0 CDADMM C[C@H](F)CCNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001603599434 1175575866 /nfs/dbraw/zinc/57/58/66/1175575866.db2.gz RKZAONZWRFIKRM-ZETCQYMHSA-N -1 1 279.279 1.131 20 0 CDADMM CC1(COC(=O)Cc2ccc(-c3nnn[n-]3)nc2)CCC1 ZINC001603807358 1175640231 /nfs/dbraw/zinc/64/02/31/1175640231.db2.gz BTUHBEPZIRYEBX-UHFFFAOYSA-N -1 1 287.323 1.538 20 0 CDADMM CC1(COC(=O)Cc2ccc(-c3nn[n-]n3)nc2)CCC1 ZINC001603807358 1175640234 /nfs/dbraw/zinc/64/02/34/1175640234.db2.gz BTUHBEPZIRYEBX-UHFFFAOYSA-N -1 1 287.323 1.538 20 0 CDADMM CC(C)CN1CCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])nn1C ZINC001603816967 1175641538 /nfs/dbraw/zinc/64/15/38/1175641538.db2.gz YJBAZIKICIZCGS-LLVKDONJSA-N -1 1 294.355 1.177 20 0 CDADMM C[C@H]1C[C@H]1c1ccc(CNc2ccnc(-c3nn[n-]n3)n2)o1 ZINC001603873101 1175664784 /nfs/dbraw/zinc/66/47/84/1175664784.db2.gz WWWALPDPUXXTGF-WCBMZHEXSA-N -1 1 297.322 1.407 20 0 CDADMM C[C@@H]1CC[C@@H](CNc2cccc(-c3nnn[n-]3)n2)O1 ZINC001603878330 1175666796 /nfs/dbraw/zinc/66/67/96/1175666796.db2.gz NLURGGBCTGUCGY-BDAKNGLRSA-N -1 1 260.301 1.241 20 0 CDADMM C[C@@H]1CC[C@@H](CNc2cccc(-c3nn[n-]n3)n2)O1 ZINC001603878330 1175666800 /nfs/dbraw/zinc/66/68/00/1175666800.db2.gz NLURGGBCTGUCGY-BDAKNGLRSA-N -1 1 260.301 1.241 20 0 CDADMM CC(C)N1C(=O)CN(CC2(CC(=O)[O-])CC2)CC1(C)C ZINC001603886946 1175671211 /nfs/dbraw/zinc/67/12/11/1175671211.db2.gz ICIKXLKKGLBKJR-UHFFFAOYSA-N -1 1 282.384 1.573 20 0 CDADMM C[C@@H]1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001603889068 1175672945 /nfs/dbraw/zinc/67/29/45/1175672945.db2.gz FUOLMLVMEJRNAP-RKDXNWHRSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@@H]1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001603889068 1175672948 /nfs/dbraw/zinc/67/29/48/1175672948.db2.gz FUOLMLVMEJRNAP-RKDXNWHRSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@@H]1CCCC[C@@H]1Cn1cc(-c2nn[n-]n2)ccc1=O ZINC001603893387 1175674582 /nfs/dbraw/zinc/67/45/82/1175674582.db2.gz YGTCEZLBDIYEBL-GHMZBOCLSA-N -1 1 273.340 1.855 20 0 CDADMM C[C@@H](CC(=O)[O-])C(=O)OCCN(C)Cc1ccc(F)cc1 ZINC001604095989 1175757046 /nfs/dbraw/zinc/75/70/46/1175757046.db2.gz JKXMIJWLUGBYGH-NSHDSACASA-N -1 1 297.326 1.912 20 0 CDADMM CC[C@H]1C[C@@H](C)CN1Cn1cccc(-c2nnn[n-]2)c1=O ZINC001604097349 1175757970 /nfs/dbraw/zinc/75/79/70/1175757970.db2.gz NSTZFNYVPUYVRR-MNOVXSKESA-N -1 1 288.355 1.106 20 0 CDADMM CC[C@H]1C[C@@H](C)CN1Cn1cccc(-c2nn[n-]n2)c1=O ZINC001604097349 1175757975 /nfs/dbraw/zinc/75/79/75/1175757975.db2.gz NSTZFNYVPUYVRR-MNOVXSKESA-N -1 1 288.355 1.106 20 0 CDADMM O=C(c1cncc([O-])c1)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000178817595 1182200193 /nfs/dbraw/zinc/20/01/93/1182200193.db2.gz FPLMXRWWJHWBDO-GWCFXTLKSA-N -1 1 262.309 1.428 20 0 CDADMM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc2cncn2c1C ZINC001771649768 1186735210 /nfs/dbraw/zinc/73/52/10/1186735210.db2.gz QHLRVXVRXPJMQF-SECBINFHSA-N -1 1 295.364 1.501 20 0 CDADMM COC[C@H]1CCN(C(=O)c2c(C)[n-]c(=O)nc2SC)C1 ZINC001771619213 1186815416 /nfs/dbraw/zinc/81/54/16/1186815416.db2.gz SVXMSQVLNGTJPE-VIFPVBQESA-N -1 1 297.380 1.321 20 0 CDADMM O=C([O-])C[C@@]1(NCc2nc3c(s2)CCC3)CCOC1 ZINC001771907462 1186943692 /nfs/dbraw/zinc/94/36/92/1186943692.db2.gz MJSBTRXJEQWGSD-ZDUSSCGKSA-N -1 1 282.365 1.355 20 0 CDADMM CN(Cc1ccccc1OCC(=O)[O-])C[C@H]1CCCO1 ZINC001606169789 1163796788 /nfs/dbraw/zinc/79/67/88/1163796788.db2.gz IHAJZUDPEPBPIH-CYBMUJFWSA-N -1 1 279.336 1.761 20 0 CDADMM COC(=O)[C@@H]1CCCC[C@H]1CN1CCOC[C@@H]1CC(=O)[O-] ZINC001606406300 1163892724 /nfs/dbraw/zinc/89/27/24/1163892724.db2.gz ZLJVGPCUWJYBLQ-RWMBFGLXSA-N -1 1 299.367 1.141 20 0 CDADMM COC(=O)C[C@](C)(NCc1cc(C(=O)[O-])no1)C1CC1 ZINC001606441610 1163900674 /nfs/dbraw/zinc/90/06/74/1163900674.db2.gz 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C[C@H]1C[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)CC(=O)N1 ZINC000350842376 316211783 /nfs/dbraw/zinc/21/17/83/316211783.db2.gz YITVLGRYFWJOJB-CBAPKCEASA-N -1 1 291.282 1.963 20 0 CDADMM Cc1cnc(S[C@@H](C)c2nnnn2C2CC2)[n-]c1=O ZINC000566498327 316618299 /nfs/dbraw/zinc/61/82/99/316618299.db2.gz ZDESHPLFKOAMEX-ZETCQYMHSA-N -1 1 278.341 1.665 20 0 CDADMM C[C@@H]1CCC[C@@H](CNc2nc3[nH][n-]cc-3c(=O)n2)[C@@H]1C ZINC000575107588 316958586 /nfs/dbraw/zinc/95/85/86/316958586.db2.gz RDWXGXYIOKOLQR-BBBLOLIVSA-N -1 1 275.356 1.916 20 0 CDADMM CC[C@H]1CN(Cc2ncccc2[O-])C[C@@H](C)S1(=O)=O ZINC000577305946 317305398 /nfs/dbraw/zinc/30/53/98/317305398.db2.gz OBEKGBQRZWNHPW-MNOVXSKESA-N -1 1 284.381 1.185 20 0 CDADMM Cc1cc(N(C)CC2(C)COC2)cc(-c2nnn[n-]2)n1 ZINC001591995054 1173768163 /nfs/dbraw/zinc/76/81/63/1173768163.db2.gz GHHDAIFWTOHECZ-UHFFFAOYSA-N -1 1 274.328 1.043 20 0 CDADMM Cc1cc(N(C)CC2(C)COC2)cc(-c2nn[n-]n2)n1 ZINC001591995054 1173768166 /nfs/dbraw/zinc/76/81/66/1173768166.db2.gz 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ZINC000770024969 575412999 /nfs/dbraw/zinc/41/29/99/575412999.db2.gz ZKYJQIYWUDBHBX-CYBMUJFWSA-N -1 1 269.728 1.936 20 0 CDADMM CC(C)Oc1ccc(CNc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000735915957 575534577 /nfs/dbraw/zinc/53/45/77/575534577.db2.gz WJKZIODNNVNSOL-UHFFFAOYSA-N -1 1 299.338 1.989 20 0 CDADMM CC(C)Oc1ccc(CNc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC000735915957 575534579 /nfs/dbraw/zinc/53/45/79/575534579.db2.gz WJKZIODNNVNSOL-UHFFFAOYSA-N -1 1 299.338 1.989 20 0 CDADMM CC(C)COc1ccccc1C(=O)Nc1nnn[n-]1 ZINC000736155969 575583607 /nfs/dbraw/zinc/58/36/07/575583607.db2.gz HDHDAHJMURIWKX-UHFFFAOYSA-N -1 1 261.285 1.487 20 0 CDADMM CC(C)COc1ccccc1C(=O)Nc1nn[n-]n1 ZINC000736155969 575583610 /nfs/dbraw/zinc/58/36/10/575583610.db2.gz HDHDAHJMURIWKX-UHFFFAOYSA-N -1 1 261.285 1.487 20 0 CDADMM CCOC(=O)N1CC[C@@H](NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000771572023 575591791 /nfs/dbraw/zinc/59/17/91/575591791.db2.gz CEHNVVLONUWOLU-SNVBAGLBSA-N -1 1 296.298 1.492 20 0 CDADMM CC1(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)COC1 ZINC000736215752 575595131 /nfs/dbraw/zinc/59/51/31/575595131.db2.gz AAQRUALBGJCGAF-UHFFFAOYSA-N -1 1 297.318 1.218 20 0 CDADMM C[C@@H]1CCC[C@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736255231 575605850 /nfs/dbraw/zinc/60/58/50/575605850.db2.gz VDKLHNKPOAUMQS-KOLCDFICSA-N -1 1 287.323 1.997 20 0 CDADMM C[C@@H]1CCC[C@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736255231 575605852 /nfs/dbraw/zinc/60/58/52/575605852.db2.gz VDKLHNKPOAUMQS-KOLCDFICSA-N -1 1 287.323 1.997 20 0 CDADMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCS1 ZINC000736294511 575612719 /nfs/dbraw/zinc/61/27/19/575612719.db2.gz SCMOGUOSZXYJDA-QMMMGPOBSA-N -1 1 262.342 1.203 20 0 CDADMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCS1 ZINC000736294511 575612721 /nfs/dbraw/zinc/61/27/21/575612721.db2.gz SCMOGUOSZXYJDA-QMMMGPOBSA-N -1 1 262.342 1.203 20 0 CDADMM CC(C)(NCC(=O)NCCc1ccc(Cl)cc1)C(=O)[O-] ZINC000736339119 575627460 /nfs/dbraw/zinc/62/74/60/575627460.db2.gz DVSHAYYTKXYQFE-UHFFFAOYSA-N -1 1 298.770 1.452 20 0 CDADMM CCC[C@@](C)(O)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736420406 575655679 /nfs/dbraw/zinc/65/56/79/575655679.db2.gz UCTBZGJKUSIAKV-GFCCVEGCSA-N -1 1 296.762 1.878 20 0 CDADMM CCC[C@@](C)(O)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736420406 575655681 /nfs/dbraw/zinc/65/56/81/575655681.db2.gz UCTBZGJKUSIAKV-GFCCVEGCSA-N -1 1 296.762 1.878 20 0 CDADMM CC(C)C[C@@]1(C)CC(=O)N(CN2CC[C@H](C(=O)[O-])C2)C1=O ZINC000736428433 575658426 /nfs/dbraw/zinc/65/84/26/575658426.db2.gz WIRCTPVXMWZGBT-NHYWBVRUSA-N -1 1 296.367 1.162 20 0 CDADMM CC(C)N(CCC(=O)[O-])CN1C(=O)N[C@@](C)(C(C)C)C1=O ZINC000736469106 575670720 /nfs/dbraw/zinc/67/07/20/575670720.db2.gz ZKWFJNBRHWPWMM-AWEZNQCLSA-N -1 1 299.371 1.096 20 0 CDADMM C[C@@H](CN(C)CC(=O)Nc1nc2c(s1)CCC2)C(=O)[O-] ZINC000736571750 575693644 /nfs/dbraw/zinc/69/36/44/575693644.db2.gz NFTJUFKBGCEDQJ-QMMMGPOBSA-N -1 1 297.380 1.223 20 0 CDADMM CCOCCCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736618182 575702630 /nfs/dbraw/zinc/70/26/30/575702630.db2.gz 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/nfs/dbraw/zinc/98/10/46/575981046.db2.gz BVZFVCCLRKOWOM-ZIAGYGMSSA-N -1 1 290.363 1.283 20 0 CDADMM CN1CCC[C@H](NC(=O)c2cccc(NC(=O)[O-])c2)C1 ZINC000737519217 575981667 /nfs/dbraw/zinc/98/16/67/575981667.db2.gz IDLKAVVJHOMCLB-LBPRGKRZSA-N -1 1 277.324 1.601 20 0 CDADMM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1CN(Cc2ccsc2)C1 ZINC001601784389 1175005115 /nfs/dbraw/zinc/00/51/15/1175005115.db2.gz VTMXUJJWOIHIKZ-VXGBXAGGSA-N -1 1 294.376 1.017 20 0 CDADMM CC=C(C=CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1)CC ZINC000765450154 576024123 /nfs/dbraw/zinc/02/41/23/576024123.db2.gz MLAGFPRZGKYZDM-CQDXIFLUSA-N -1 1 277.328 1.012 20 0 CDADMM Cn1[n-]c(COC(=O)C2(Cc3ccccc3)CC2)nc1=O ZINC000765493716 576030047 /nfs/dbraw/zinc/03/00/47/576030047.db2.gz XXQVRPZWUDFEKZ-UHFFFAOYSA-N -1 1 287.319 1.175 20 0 CDADMM CCC[C@H](C(=O)OCc1nc(=O)n(C)[n-]1)C(C)C ZINC000765498971 576031372 /nfs/dbraw/zinc/03/13/72/576031372.db2.gz ZHOSNWCXSKAAMY-VIFPVBQESA-N -1 1 255.318 1.224 20 0 CDADMM O=C(NCc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738102826 576038690 /nfs/dbraw/zinc/03/86/90/576038690.db2.gz DMKLXILXUKDPDD-UHFFFAOYSA-N -1 1 298.281 1.331 20 0 CDADMM O=C(NCc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738102826 576038693 /nfs/dbraw/zinc/03/86/93/576038693.db2.gz DMKLXILXUKDPDD-UHFFFAOYSA-N -1 1 298.281 1.331 20 0 CDADMM O=C([O-])CCCCN1CCN(Cc2ccccn2)CC1 ZINC000738571366 576089615 /nfs/dbraw/zinc/08/96/15/576089615.db2.gz SWBCNLPVWQCSSW-UHFFFAOYSA-N -1 1 277.368 1.454 20 0 CDADMM O=C([O-])CN(C(=O)c1cnc(-c2ccccc2)[nH]1)C1CC1 ZINC000738600825 576093856 /nfs/dbraw/zinc/09/38/56/576093856.db2.gz ASNJUJRPVCZOIC-UHFFFAOYSA-N -1 1 285.303 1.766 20 0 CDADMM Cc1ccc(NC(=O)[C@H]2CCCN2C)c(C(=O)[O-])c1 ZINC000738617336 576096146 /nfs/dbraw/zinc/09/61/46/576096146.db2.gz XOHGHSLYNICARU-GFCCVEGCSA-N -1 1 262.309 1.726 20 0 CDADMM Cc1ccccc1[C@@H]1CCN(Cn2cnc(C(=O)[O-])n2)C1 ZINC000738770271 576111569 /nfs/dbraw/zinc/11/15/69/576111569.db2.gz YRGGFUPFKICRLB-GFCCVEGCSA-N -1 1 286.335 1.732 20 0 CDADMM C[C@H](N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C(=O)[O-] ZINC000739034730 576152726 /nfs/dbraw/zinc/15/27/26/576152726.db2.gz ZZXMMPGONAHAPQ-GZMMTYOYSA-N -1 1 282.727 1.508 20 0 CDADMM CC1(O)CCC(NC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000768221936 576265682 /nfs/dbraw/zinc/26/56/82/576265682.db2.gz VGCGVKHEVAUXTK-UHFFFAOYSA-N -1 1 267.300 1.955 20 0 CDADMM O=C([O-])CCN(CC(=O)NC1CCCC1)C[C@H]1CCCO1 ZINC000739715964 576283753 /nfs/dbraw/zinc/28/37/53/576283753.db2.gz ARMZLLBCFOJSDU-CYBMUJFWSA-N -1 1 298.383 1.001 20 0 CDADMM O=C([O-])c1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)s1 ZINC000740111025 576425709 /nfs/dbraw/zinc/42/57/09/576425709.db2.gz PIPKCTQORQAQAX-SNVBAGLBSA-N -1 1 294.376 1.660 20 0 CDADMM O=C([O-])c1occc1CN1CCC(N2CCCC2=O)CC1 ZINC000740282162 576456972 /nfs/dbraw/zinc/45/69/72/576456972.db2.gz SRAOSPASEWMTNR-UHFFFAOYSA-N -1 1 292.335 1.565 20 0 CDADMM C[C@H](CCO)CNC(=O)c1c([O-])cccc1Cl ZINC000760178239 576464512 /nfs/dbraw/zinc/46/45/12/576464512.db2.gz PRIDOTSPFJPNES-MRVPVSSYSA-N -1 1 257.717 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/nfs/dbraw/zinc/10/32/55/605103255.db2.gz UIUASOOSLLGNPF-STQMWFEESA-N -1 1 280.368 1.350 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000833620164 605105733 /nfs/dbraw/zinc/10/57/33/605105733.db2.gz KOGHTVKKIFZKBX-CXTNEJHOSA-N -1 1 294.395 1.430 20 0 CDADMM CC(C)[C@H]1CN(C)CCN1C(=O)CC(C)(C)CC(=O)[O-] ZINC000833471035 605112490 /nfs/dbraw/zinc/11/24/90/605112490.db2.gz HQTJSKFSVPOEFM-GFCCVEGCSA-N -1 1 284.400 1.676 20 0 CDADMM Clc1nsc(N[C@H]2CCOC2)c1-c1nnn[n-]1 ZINC000826353947 607736694 /nfs/dbraw/zinc/73/66/94/607736694.db2.gz KHUIVVZYEBKTQU-BYPYZUCNSA-N -1 1 272.721 1.177 20 0 CDADMM Clc1nsc(N[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826353947 607736695 /nfs/dbraw/zinc/73/66/95/607736695.db2.gz KHUIVVZYEBKTQU-BYPYZUCNSA-N -1 1 272.721 1.177 20 0 CDADMM C[C@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1CCC(=O)[O-] ZINC000833584655 605195499 /nfs/dbraw/zinc/19/54/99/605195499.db2.gz SRDKVNLRSZAADX-QWRGUYRKSA-N -1 1 286.372 1.791 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CN2CCCC[C@H]2C2OCCO2)O1 ZINC000833586587 605328947 /nfs/dbraw/zinc/32/89/47/605328947.db2.gz YWIZEHZMMHWCCP-YPMHNXCESA-N -1 1 297.351 1.361 20 0 CDADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCO[C@H](C(C)C)C2)O1 ZINC000833580292 605394106 /nfs/dbraw/zinc/39/41/06/605394106.db2.gz PAJKVYPWLJOJLD-AAEUAGOBSA-N -1 1 269.341 1.491 20 0 CDADMM C[C@H]1C[C@@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000820668426 606065173 /nfs/dbraw/zinc/06/51/73/606065173.db2.gz SGAICBDJWVHNJI-YUMQZZPRSA-N -1 1 289.343 1.413 20 0 CDADMM C[C@H]1C[C@@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000820668426 606065176 /nfs/dbraw/zinc/06/51/76/606065176.db2.gz SGAICBDJWVHNJI-YUMQZZPRSA-N -1 1 289.343 1.413 20 0 CDADMM C[C@@H](O)[C@H](C)Sc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820467841 606469809 /nfs/dbraw/zinc/46/98/09/606469809.db2.gz NHJGMEHAFITPIL-RITPCOANSA-N -1 1 285.760 1.777 20 0 CDADMM C[C@@H](O)[C@H](C)Sc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820467841 606469810 /nfs/dbraw/zinc/46/98/10/606469810.db2.gz NHJGMEHAFITPIL-RITPCOANSA-N -1 1 285.760 1.777 20 0 CDADMM Clc1ccc(NCCn2cccc2)nc1-c1nnn[n-]1 ZINC000822579240 606476247 /nfs/dbraw/zinc/47/62/47/606476247.db2.gz YZLXEGABCYIWLS-UHFFFAOYSA-N -1 1 289.730 1.829 20 0 CDADMM Clc1ccc(NCCn2cccc2)nc1-c1nn[n-]n1 ZINC000822579240 606476248 /nfs/dbraw/zinc/47/62/48/606476248.db2.gz YZLXEGABCYIWLS-UHFFFAOYSA-N -1 1 289.730 1.829 20 0 CDADMM CCCN(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821087919 606539097 /nfs/dbraw/zinc/53/90/97/606539097.db2.gz HRMDYWGQOWFRBU-UHFFFAOYSA-N -1 1 251.315 1.410 20 0 CDADMM CCCN(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821087919 606539099 /nfs/dbraw/zinc/53/90/99/606539099.db2.gz HRMDYWGQOWFRBU-UHFFFAOYSA-N -1 1 251.315 1.410 20 0 CDADMM OCCCN(c1ccc(Cl)c(-c2nnn[n-]2)n1)C1CC1 ZINC000823722592 606644075 /nfs/dbraw/zinc/64/40/75/606644075.db2.gz SCNJGSTXGATHFK-UHFFFAOYSA-N -1 1 294.746 1.266 20 0 CDADMM OCCCN(c1ccc(Cl)c(-c2nn[n-]n2)n1)C1CC1 ZINC000823722592 606644076 /nfs/dbraw/zinc/64/40/76/606644076.db2.gz SCNJGSTXGATHFK-UHFFFAOYSA-N -1 1 294.746 1.266 20 0 CDADMM Fc1ccc(OCCn2ccnc2-c2nnn[n-]2)cc1 ZINC000822783092 606655223 /nfs/dbraw/zinc/65/52/23/606655223.db2.gz UXUAKXHTBGBQRK-UHFFFAOYSA-N -1 1 274.259 1.281 20 0 CDADMM Fc1ccc(OCCn2ccnc2-c2nn[n-]n2)cc1 ZINC000822783092 606655224 /nfs/dbraw/zinc/65/52/24/606655224.db2.gz UXUAKXHTBGBQRK-UHFFFAOYSA-N -1 1 274.259 1.281 20 0 CDADMM C[C@H]1CC[C@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820683554 606878573 /nfs/dbraw/zinc/87/85/73/606878573.db2.gz DAJQSUNZJLQSCE-YUMQZZPRSA-N -1 1 277.353 1.941 20 0 CDADMM C[C@H]1CC[C@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820683554 606878574 /nfs/dbraw/zinc/87/85/74/606878574.db2.gz DAJQSUNZJLQSCE-YUMQZZPRSA-N -1 1 277.353 1.941 20 0 CDADMM O=C(Nc1ccc(F)cc1[O-])c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823346953 607161108 /nfs/dbraw/zinc/16/11/08/607161108.db2.gz ULGXXPUOCHSUNB-UHFFFAOYSA-N -1 1 288.242 1.292 20 0 CDADMM CC1(C)C[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824795979 607805327 /nfs/dbraw/zinc/80/53/27/607805327.db2.gz KOZNMGNZOJBRDS-SECBINFHSA-N -1 1 273.296 1.351 20 0 CDADMM CC1(C)C[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824795979 607805328 /nfs/dbraw/zinc/80/53/28/607805328.db2.gz KOZNMGNZOJBRDS-SECBINFHSA-N -1 1 273.296 1.351 20 0 CDADMM CCCCCN(CCO)c1cccc(-c2nnn[n-]2)n1 ZINC000825275996 607900964 /nfs/dbraw/zinc/90/09/64/607900964.db2.gz LSMBFJJPHWHLEF-UHFFFAOYSA-N -1 1 276.344 1.251 20 0 CDADMM CCCCCN(CCO)c1cccc(-c2nn[n-]n2)n1 ZINC000825275996 607900965 /nfs/dbraw/zinc/90/09/65/607900965.db2.gz LSMBFJJPHWHLEF-UHFFFAOYSA-N -1 1 276.344 1.251 20 0 CDADMM CC[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)OC ZINC000825153176 608103719 /nfs/dbraw/zinc/10/37/19/608103719.db2.gz HAEQXDNMSUCLDM-LURJTMIESA-N -1 1 296.308 1.037 20 0 CDADMM CC[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)OC ZINC000825153176 608103720 /nfs/dbraw/zinc/10/37/20/608103720.db2.gz HAEQXDNMSUCLDM-LURJTMIESA-N -1 1 296.308 1.037 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CC[C@@H](C3CC3)C2)c1 ZINC000826514670 608152038 /nfs/dbraw/zinc/15/20/38/608152038.db2.gz ZBABVMIDAUIHDR-SNVBAGLBSA-N -1 1 256.313 1.498 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CC[C@@H](C3CC3)C2)c1 ZINC000826514670 608152039 /nfs/dbraw/zinc/15/20/39/608152039.db2.gz ZBABVMIDAUIHDR-SNVBAGLBSA-N -1 1 256.313 1.498 20 0 CDADMM CCOCCN(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000825594727 608240977 /nfs/dbraw/zinc/24/09/77/608240977.db2.gz PMYQNXIBHICRAM-UHFFFAOYSA-N -1 1 282.735 1.388 20 0 CDADMM CCOCCN(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000825594727 608240979 /nfs/dbraw/zinc/24/09/79/608240979.db2.gz PMYQNXIBHICRAM-UHFFFAOYSA-N -1 1 282.735 1.388 20 0 CDADMM c1ccc2c(c1)OCC[C@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826524543 608392886 /nfs/dbraw/zinc/39/28/86/608392886.db2.gz YZPOGHCZGVGHMM-SNVBAGLBSA-N -1 1 295.306 1.592 20 0 CDADMM c1ccc2c(c1)OCC[C@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826524543 608392888 /nfs/dbraw/zinc/39/28/88/608392888.db2.gz YZPOGHCZGVGHMM-SNVBAGLBSA-N -1 1 295.306 1.592 20 0 CDADMM CCN(c1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC000825444799 608399795 /nfs/dbraw/zinc/39/97/95/608399795.db2.gz RCGWBKPJQHENHK-UHFFFAOYSA-N -1 1 259.317 1.426 20 0 CDADMM CCN(c1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC000825444799 608399797 /nfs/dbraw/zinc/39/97/97/608399797.db2.gz RCGWBKPJQHENHK-UHFFFAOYSA-N -1 1 259.317 1.426 20 0 CDADMM CC(C)CC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824245283 608404569 /nfs/dbraw/zinc/40/45/69/608404569.db2.gz XJFUIBSBGYUFPX-VIFPVBQESA-N -1 1 261.333 1.893 20 0 CDADMM CC(C)CC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824245283 608404571 /nfs/dbraw/zinc/40/45/71/608404571.db2.gz XJFUIBSBGYUFPX-VIFPVBQESA-N -1 1 261.333 1.893 20 0 CDADMM O[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CCCCC1 ZINC000826503002 608412759 /nfs/dbraw/zinc/41/27/59/608412759.db2.gz OAXFRUQHAFRVJB-LLVKDONJSA-N -1 1 289.343 1.010 20 0 CDADMM O[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CCCCC1 ZINC000826503002 608412760 /nfs/dbraw/zinc/41/27/60/608412760.db2.gz OAXFRUQHAFRVJB-LLVKDONJSA-N -1 1 289.343 1.010 20 0 CDADMM Cc1ccccc1[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826306073 608418528 /nfs/dbraw/zinc/41/85/28/608418528.db2.gz PLZMFYJJTUVSNE-GFCCVEGCSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1ccccc1[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826306073 608418530 /nfs/dbraw/zinc/41/85/30/608418530.db2.gz PLZMFYJJTUVSNE-GFCCVEGCSA-N -1 1 297.322 1.111 20 0 CDADMM CC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825204519 608419471 /nfs/dbraw/zinc/41/94/71/608419471.db2.gz RXOONAJRHZUISX-JTQLQIEISA-N -1 1 273.344 1.673 20 0 CDADMM CC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825204519 608419472 /nfs/dbraw/zinc/41/94/72/608419472.db2.gz RXOONAJRHZUISX-JTQLQIEISA-N -1 1 273.344 1.673 20 0 CDADMM CC1(C)CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000824808462 608424299 /nfs/dbraw/zinc/42/42/99/608424299.db2.gz SJCMNPIWMLNCQD-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM CC1(C)CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000824808462 608424300 /nfs/dbraw/zinc/42/43/00/608424300.db2.gz SJCMNPIWMLNCQD-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM C[C@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC[C@@H]1O ZINC000824832790 608428278 /nfs/dbraw/zinc/42/82/78/608428278.db2.gz WEQFSEKOPGUMHS-GXFFZTMASA-N -1 1 289.343 1.010 20 0 CDADMM C[C@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC[C@@H]1O ZINC000824832790 608428280 /nfs/dbraw/zinc/42/82/80/608428280.db2.gz WEQFSEKOPGUMHS-GXFFZTMASA-N -1 1 289.343 1.010 20 0 CDADMM CCS[C@H]1CCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825668135 608429112 /nfs/dbraw/zinc/42/91/12/608429112.db2.gz BMDQNHQGZQHHFL-SCZZXKLOSA-N -1 1 291.384 1.743 20 0 CDADMM CCS[C@H]1CCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825668135 608429114 /nfs/dbraw/zinc/42/91/14/608429114.db2.gz BMDQNHQGZQHHFL-SCZZXKLOSA-N -1 1 291.384 1.743 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000826513984 608438184 /nfs/dbraw/zinc/43/81/84/608438184.db2.gz CLNIZJAHUJHKAF-GGZOMVNGSA-N -1 1 299.338 1.026 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000826513984 608438185 /nfs/dbraw/zinc/43/81/85/608438185.db2.gz CLNIZJAHUJHKAF-GGZOMVNGSA-N -1 1 299.338 1.026 20 0 CDADMM CN(CC(=O)OC(C)(C)C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825897460 608660512 /nfs/dbraw/zinc/66/05/12/608660512.db2.gz GAGUEMQKWWQDMQ-UHFFFAOYSA-N -1 1 293.327 1.233 20 0 CDADMM CN(CC(=O)OC(C)(C)C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825897460 608660516 /nfs/dbraw/zinc/66/05/16/608660516.db2.gz GAGUEMQKWWQDMQ-UHFFFAOYSA-N -1 1 293.327 1.233 20 0 CDADMM CCc1ccc(CCn2ccnc2-c2nnn[n-]2)cc1 ZINC000825711357 608891799 /nfs/dbraw/zinc/89/17/99/608891799.db2.gz ADQBKCBPDRVIRN-UHFFFAOYSA-N -1 1 268.324 1.868 20 0 CDADMM CCc1ccc(CCn2ccnc2-c2nn[n-]n2)cc1 ZINC000825711357 608891800 /nfs/dbraw/zinc/89/18/00/608891800.db2.gz ADQBKCBPDRVIRN-UHFFFAOYSA-N -1 1 268.324 1.868 20 0 CDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)c1cncc(F)c1 ZINC000824669732 609386295 /nfs/dbraw/zinc/38/62/95/609386295.db2.gz HGRJUXHSXHCINJ-SSDOTTSWSA-N -1 1 286.274 1.364 20 0 CDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)c1cncc(F)c1 ZINC000824669732 609386297 /nfs/dbraw/zinc/38/62/97/609386297.db2.gz HGRJUXHSXHCINJ-SSDOTTSWSA-N -1 1 286.274 1.364 20 0 CDADMM COC[C@@H](C)[C@H](C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891613024 617504674 /nfs/dbraw/zinc/50/46/74/617504674.db2.gz DATFWMDPYVUFSS-ZJUUUORDSA-N -1 1 293.367 1.918 20 0 CDADMM O=C(CCOCC1CC1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891621299 617510015 /nfs/dbraw/zinc/51/00/15/617510015.db2.gz GYPFKHBBYRJDIF-UHFFFAOYSA-N -1 1 291.351 1.816 20 0 CDADMM C[C@H](OCC1CC1)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891625175 617511708 /nfs/dbraw/zinc/51/17/08/617511708.db2.gz WEGOHFSKPLSBHG-VIFPVBQESA-N -1 1 291.351 1.815 20 0 CDADMM COCc1nc(N[C@H](C)c2cnn(C)c2)cc(=O)[n-]1 ZINC000892662992 617569266 /nfs/dbraw/zinc/56/92/66/617569266.db2.gz OEXKKXAJORWDLT-MRVPVSSYSA-N -1 1 263.301 1.235 20 0 CDADMM CN(C)C1(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1 ZINC000909667161 620715030 /nfs/dbraw/zinc/71/50/30/620715030.db2.gz YECNHNFJDPAWOK-GFCCVEGCSA-N -1 1 282.384 1.620 20 0 CDADMM CCOCCC1(C(=O)N(C)c2nn[n-]n2)CCCC1 ZINC000892955293 617973211 /nfs/dbraw/zinc/97/32/11/617973211.db2.gz YYYRGNBFWZVPPS-UHFFFAOYSA-N -1 1 267.333 1.150 20 0 CDADMM CN(C(=O)C(C)(C)c1cccc(Cl)c1F)c1nn[n-]n1 ZINC000892954837 617978941 /nfs/dbraw/zinc/97/89/41/617978941.db2.gz SHJJVYKZVKBPRA-UHFFFAOYSA-N -1 1 297.721 1.933 20 0 CDADMM C[C@](NC(=O)c1cccc2nc[nH]c21)(C(=O)[O-])C1CC1 ZINC000909325851 617679417 /nfs/dbraw/zinc/67/94/17/617679417.db2.gz MTNNYGWTURRJJH-CQSZACIVSA-N -1 1 273.292 1.546 20 0 CDADMM COCCNCc1nc(-c2ccc([O-])cc2F)no1 ZINC000843218827 617725110 /nfs/dbraw/zinc/72/51/10/617725110.db2.gz FQZFSQKSFYDNFM-UHFFFAOYSA-N -1 1 267.260 1.317 20 0 CDADMM COCc1nc(NCc2cn3cc(C)ccc3n2)cc(=O)[n-]1 ZINC000891945772 617810759 /nfs/dbraw/zinc/81/07/59/617810759.db2.gz WSUXLKANOATQNP-UHFFFAOYSA-N -1 1 299.334 1.897 20 0 CDADMM COCc1nc(N2CCC[C@@H]2C(C)(C)O)cc(=O)[n-]1 ZINC000893039698 618088232 /nfs/dbraw/zinc/08/82/32/618088232.db2.gz ZFDYXJMNTKRHRF-SECBINFHSA-N -1 1 267.329 1.068 20 0 CDADMM C[C@H](C(=O)N[C@@H](CC(=O)[O-])C1CCCC1)N(C)C ZINC000910558474 618300092 /nfs/dbraw/zinc/30/00/92/618300092.db2.gz 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/nfs/dbraw/zinc/29/53/79/619295379.db2.gz JRJYCBRVWRKXGO-SECBINFHSA-N -1 1 294.746 1.659 20 0 CDADMM CCOCCOCCNc1cc(Cl)[n-]c(=O)n1 ZINC000896480316 620113064 /nfs/dbraw/zinc/11/30/64/620113064.db2.gz DVROVJSGBAHSLR-UHFFFAOYSA-N -1 1 261.709 1.301 20 0 CDADMM Cn1cc(C(=O)CCC(=O)[N-]OCc2ccccn2)cn1 ZINC000909541407 620263342 /nfs/dbraw/zinc/26/33/42/620263342.db2.gz KMYXRLWHPUUPCE-UHFFFAOYSA-N -1 1 288.307 1.026 20 0 CDADMM COC(=O)N1CCC(C(=O)[N-]Oc2ccc(F)cc2)CC1 ZINC000898576478 621800477 /nfs/dbraw/zinc/80/04/77/621800477.db2.gz NQRRJIPAWGFKPO-UHFFFAOYSA-N -1 1 296.298 1.714 20 0 CDADMM Cc1ccc(C)c(CC(=O)NCc2nc([O-])cc(=O)[nH]2)c1 ZINC000898753820 621864978 /nfs/dbraw/zinc/86/49/78/621864978.db2.gz RJJQAJZMAWAYQW-UHFFFAOYSA-N -1 1 287.319 1.364 20 0 CDADMM O=C(NCc1nc([O-])cc(=O)[nH]1)[C@H]1CCCC[C@H]1C1CC1 ZINC000898755121 621865813 /nfs/dbraw/zinc/86/58/13/621865813.db2.gz MFJYBXBKSIXQKX-QWRGUYRKSA-N -1 1 291.351 1.720 20 0 CDADMM C[C@@H](CNC(=O)c1cnc(C2CC2)[n-]c1=O)C[C@H](C)O 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CCOc1ccc(NC(=O)CN[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000035391907 632088898 /nfs/dbraw/zinc/08/88/98/632088898.db2.gz HUVILSJIGQNJFO-CQSZACIVSA-N -1 1 294.351 1.723 20 0 CDADMM CNC(=O)[C@@H]1CCCCN1C(=O)c1c([O-])cccc1Cl ZINC000920448191 632780296 /nfs/dbraw/zinc/78/02/96/632780296.db2.gz GXBYCLRCQXXZSJ-JTQLQIEISA-N -1 1 296.754 1.786 20 0 CDADMM CCC[C@](C)(NC(=O)CN1CC[C@H](C)C1)C(=O)[O-] ZINC000736953993 633220741 /nfs/dbraw/zinc/22/07/41/633220741.db2.gz GFAKDQNDVHLZIS-GWCFXTLKSA-N -1 1 256.346 1.088 20 0 CDADMM COC(=O)c1cnc(S[C@H]2CCN(C3CC3)C2=O)[n-]1 ZINC001772505849 1158478019 /nfs/dbraw/zinc/47/80/19/1158478019.db2.gz MVSLHLYPTJUCTD-VIFPVBQESA-N -1 1 281.337 1.052 20 0 CDADMM COC(=O)c1c[n-]c(S[C@H]2CCN(C3CC3)C2=O)n1 ZINC001772505849 1158478021 /nfs/dbraw/zinc/47/80/21/1158478021.db2.gz MVSLHLYPTJUCTD-VIFPVBQESA-N -1 1 281.337 1.052 20 0 CDADMM C[C@@H]1CN(c2cc(Cl)[n-]c(=O)n2)C[C@]2(CCOC2)O1 ZINC000858524416 695419950 /nfs/dbraw/zinc/41/99/50/695419950.db2.gz NBIDEWPUPPDSGD-PELKAZGASA-N 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269.728 1.936 20 0 CDADMM CN(CCC[N-]C(=O)C(F)(F)F)Cc1cscn1 ZINC000180576829 695715933 /nfs/dbraw/zinc/71/59/33/695715933.db2.gz KLAPWTLCMRVIBW-UHFFFAOYSA-N -1 1 281.303 1.644 20 0 CDADMM CCN(C(=O)[C@@H](C)OC(=O)c1cn[n-]n1)C1CCCCC1 ZINC000805609357 695720916 /nfs/dbraw/zinc/72/09/16/695720916.db2.gz QQHABQONXKSEPJ-SNVBAGLBSA-N -1 1 294.355 1.531 20 0 CDADMM C[C@@H](C[C@H](O)c1ccco1)NC(=O)c1cncc([O-])c1 ZINC000786334941 695721871 /nfs/dbraw/zinc/72/18/71/695721871.db2.gz RNCVKQHBKZULFN-CABZTGNLSA-N -1 1 276.292 1.622 20 0 CDADMM O=S(=O)([N-]CCCCO)c1c(Cl)ccnc1Cl ZINC000808308412 695758930 /nfs/dbraw/zinc/75/89/30/695758930.db2.gz FICLZYBQCOGPJD-UHFFFAOYSA-N -1 1 299.179 1.439 20 0 CDADMM CC(C)[C@@H](NC(=O)CCCc1nn[n-]n1)c1ccccn1 ZINC000820130315 695777855 /nfs/dbraw/zinc/77/78/55/695777855.db2.gz VSPQDZFCQPBZPO-CQSZACIVSA-N -1 1 288.355 1.431 20 0 CDADMM C[C@H]1OCC[C@]12CN(c1cc(Cl)[n-]c(=O)n1)CCO2 ZINC000858521020 695788656 /nfs/dbraw/zinc/78/86/56/695788656.db2.gz 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CDADMM Cc1[n-][nH]c(=O)c1NC(=O)Cc1ccccc1CO ZINC001636801170 1166698896 /nfs/dbraw/zinc/69/88/96/1166698896.db2.gz CBXYFCHZNNCBRK-UHFFFAOYSA-N -1 1 261.281 1.097 20 0 CDADMM O=C(Nc1cc([O-])c(F)cc1F)c1ccc2n[nH]nc2n1 ZINC001637366219 1166751288 /nfs/dbraw/zinc/75/12/88/1166751288.db2.gz IOKMXEZALRLMNG-UHFFFAOYSA-N -1 1 291.217 1.589 20 0 CDADMM O=C(CCN1CCOC1=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000055192982 1167004622 /nfs/dbraw/zinc/00/46/22/1167004622.db2.gz OIHHKXAGYVWYAQ-UHFFFAOYSA-N -1 1 293.205 1.254 20 0 CDADMM C[C@H](NC(=O)c1[n-][nH]c2cc(=O)ccc1-2)c1cncnc1 ZINC001155269384 1167110837 /nfs/dbraw/zinc/11/08/37/1167110837.db2.gz CQSUBBPLWPDQMU-QMMMGPOBSA-N -1 1 283.291 1.550 20 0 CDADMM Cc1n[nH]nc1NC(=O)c1[n-]cnc1C(=O)c1ccccc1 ZINC001641490454 1167112533 /nfs/dbraw/zinc/11/25/33/1167112533.db2.gz VUSJLDJGNQIQKS-UHFFFAOYSA-N -1 1 296.290 1.320 20 0 CDADMM CC(C)(O)CCCNC(=O)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155273487 1167112528 /nfs/dbraw/zinc/11/25/28/1167112528.db2.gz PEFSHXVIEQOFTQ-UHFFFAOYSA-N -1 1 277.324 1.549 20 0 CDADMM CC[C@H](Cc1cccc(C)c1)C(=O)N(C)c1nn[nH]n1 ZINC001646203854 1167693496 /nfs/dbraw/zinc/69/34/96/1167693496.db2.gz PFMZTCSSNKBPKW-GFCCVEGCSA-N -1 1 273.340 1.740 20 0 CDADMM CC[C@H](Cc1cccc(C)c1)C(=O)N(C)c1nn[n-]n1 ZINC001646203854 1167693499 /nfs/dbraw/zinc/69/34/99/1167693499.db2.gz PFMZTCSSNKBPKW-GFCCVEGCSA-N -1 1 273.340 1.740 20 0 CDADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccns1 ZINC001454254173 1167734400 /nfs/dbraw/zinc/73/44/00/1167734400.db2.gz IOHJHTOWTFHFPL-SNVBAGLBSA-N -1 1 286.320 1.176 20 0 CDADMM Cc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)ccn1 ZINC001647422942 1168675290 /nfs/dbraw/zinc/67/52/90/1168675290.db2.gz PVDCRAFFVUTFIN-LBPRGKRZSA-N -1 1 291.351 1.011 20 0 CDADMM CN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1nn[n-]n1 ZINC001647844928 1169067800 /nfs/dbraw/zinc/06/78/00/1169067800.db2.gz UQXTZOSUYIFZLN-UHFFFAOYSA-N -1 1 287.258 1.006 20 0 CDADMM CCC(CC)(NC(=O)c1cccc2c[nH]nc21)c1nn[n-]n1 ZINC001568664132 1169419690 /nfs/dbraw/zinc/41/96/90/1169419690.db2.gz JQQBSNXRAONACM-UHFFFAOYSA-N -1 1 299.338 1.521 20 0 CDADMM O=C([O-])[C@H]1CC(=O)N(C2CCN(Cc3ccco3)CC2)C1 ZINC001649863474 1169443719 /nfs/dbraw/zinc/44/37/19/1169443719.db2.gz VRSPZMFIOUAJGD-NSHDSACASA-N -1 1 292.335 1.177 20 0 CDADMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@@H]2CCCC[C@H]2F)C1 ZINC001574299958 1170942224 /nfs/dbraw/zinc/94/22/24/1170942224.db2.gz YJTRBNQXSFNUIU-QJPTWQEYSA-N -1 1 286.347 1.180 20 0 CDADMM CCc1ccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)cc1 ZINC001578525022 1171941252 /nfs/dbraw/zinc/94/12/52/1171941252.db2.gz ZZRIILUEQCQXIY-UHFFFAOYSA-N -1 1 283.295 1.405 20 0 CDADMM CCn1ncc(C)c1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001578820775 1172019330 /nfs/dbraw/zinc/01/93/30/1172019330.db2.gz VOPVKOXJDGPUFV-UHFFFAOYSA-N -1 1 298.310 1.039 20 0 CDADMM CCn1ncc(C)c1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001578820775 1172019338 /nfs/dbraw/zinc/01/93/38/1172019338.db2.gz VOPVKOXJDGPUFV-UHFFFAOYSA-N -1 1 298.310 1.039 20 0 CDADMM Cc1nc(Oc2cncc(Cl)c2)cc(-c2nnn[n-]2)n1 ZINC001581530620 1172613808 /nfs/dbraw/zinc/61/38/08/1172613808.db2.gz JHDQCIVTVOZPSP-UHFFFAOYSA-N -1 1 289.686 1.806 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC001582644944 1172687355 /nfs/dbraw/zinc/68/73/55/1172687355.db2.gz RKKYLEAWPADEKC-UHFFFAOYSA-N -1 1 284.254 1.653 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001582644944 1172687359 /nfs/dbraw/zinc/68/73/59/1172687359.db2.gz RKKYLEAWPADEKC-UHFFFAOYSA-N -1 1 284.254 1.653 20 0 CDADMM C=C/C=C\CC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001588529525 1173074893 /nfs/dbraw/zinc/07/48/93/1173074893.db2.gz BEURXTCMFQNEGR-PLNGDYQASA-N -1 1 286.295 1.341 20 0 CDADMM CC(C)(C)CCCNc1cc(-c2nnn[n-]2)ncn1 ZINC001589125008 1173127425 /nfs/dbraw/zinc/12/74/25/1173127425.db2.gz OFFQBUXTVIXZGW-UHFFFAOYSA-N -1 1 261.333 1.895 20 0 CDADMM CC(C)(C)CCCNc1cc(-c2nn[n-]n2)ncn1 ZINC001589125008 1173127429 /nfs/dbraw/zinc/12/74/29/1173127429.db2.gz OFFQBUXTVIXZGW-UHFFFAOYSA-N -1 1 261.333 1.895 20 0 CDADMM CC(C)(C)n1cc(C=Cc2cnc(-c3nnn[n-]3)cn2)nn1 ZINC001589259494 1173131470 /nfs/dbraw/zinc/13/14/70/1173131470.db2.gz YAFGQTROOHJMQO-PLNGDYQASA-N -1 1 297.326 1.174 20 0 CDADMM CC(C)(C)n1cc(C=Cc2cnc(-c3nn[n-]n3)cn2)nn1 ZINC001589259494 1173131477 /nfs/dbraw/zinc/13/14/77/1173131477.db2.gz YAFGQTROOHJMQO-PLNGDYQASA-N -1 1 297.326 1.174 20 0 CDADMM CC(C)(NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001589317101 1173136263 /nfs/dbraw/zinc/13/62/63/1173136263.db2.gz HGZQIGKWUVQKPH-UHFFFAOYSA-N -1 1 287.327 1.572 20 0 CDADMM CC(C)(NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001589317101 1173136267 /nfs/dbraw/zinc/13/62/67/1173136267.db2.gz HGZQIGKWUVQKPH-UHFFFAOYSA-N -1 1 287.327 1.572 20 0 CDADMM CC(C)[C@H]1C[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001589501774 1173151382 /nfs/dbraw/zinc/15/13/82/1173151382.db2.gz KAZJHHOLBCRVTB-NXEZZACHSA-N -1 1 291.380 1.837 20 0 CDADMM CC(C)C[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001589573706 1173160996 /nfs/dbraw/zinc/16/09/96/1173160996.db2.gz ZCRATYCKFMZWPA-NSHDSACASA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)C[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001589573706 1173161001 /nfs/dbraw/zinc/16/10/01/1173161001.db2.gz ZCRATYCKFMZWPA-NSHDSACASA-N -1 1 287.371 1.919 20 0 CDADMM C[C@H](Cn1cncc(-c2nn[n-]n2)c1=O)C1CCCCC1 ZINC001589903811 1173201498 /nfs/dbraw/zinc/20/14/98/1173201498.db2.gz JJLVUKLBTQYUOT-SNVBAGLBSA-N -1 1 288.355 1.640 20 0 CDADMM CC1(C(=O)COc2ccc(F)nc2-c2nn[n-]n2)CC1 ZINC001590056185 1173243401 /nfs/dbraw/zinc/24/34/01/1173243401.db2.gz APVFANJPPYUHTR-UHFFFAOYSA-N -1 1 277.259 1.149 20 0 CDADMM CC1(C(=O)n2ncc(-c3nn[n-]n3)c2N)CCCCCC1 ZINC001590074596 1173247381 /nfs/dbraw/zinc/24/73/81/1173247381.db2.gz VFBNNOZUHGBTNZ-UHFFFAOYSA-N -1 1 289.343 1.646 20 0 CDADMM CC1(C)CC[C@@H]1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001590093657 1173253401 /nfs/dbraw/zinc/25/34/01/1173253401.db2.gz UDBOMXIGJSVVKD-SNVBAGLBSA-N -1 1 286.339 1.314 20 0 CDADMM CC1(C)CC[C@@H]1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001590093657 1173253412 /nfs/dbraw/zinc/25/34/12/1173253412.db2.gz UDBOMXIGJSVVKD-SNVBAGLBSA-N -1 1 286.339 1.314 20 0 CDADMM CC1(C)CN(c2cc(-c3nnn[n-]3)ncn2)[C@H]1c1ccco1 ZINC001590105444 1173259565 /nfs/dbraw/zinc/25/95/65/1173259565.db2.gz AXZPRKPPWJVRFP-LBPRGKRZSA-N -1 1 297.322 1.837 20 0 CDADMM CC1(C)CN(c2cc(-c3nn[n-]n3)ncn2)[C@H]1c1ccco1 ZINC001590105444 1173259570 /nfs/dbraw/zinc/25/95/70/1173259570.db2.gz AXZPRKPPWJVRFP-LBPRGKRZSA-N -1 1 297.322 1.837 20 0 CDADMM C[C@]1(CCNc2ccnc(-c3nn[n-]n3)n2)C[C@@]1(F)Cl ZINC001590126555 1173264953 /nfs/dbraw/zinc/26/49/53/1173264953.db2.gz FRHCCJKRCCDOSO-QWRGUYRKSA-N -1 1 297.725 1.195 20 0 CDADMM C[C@@]1(CNc2ncncc2-c2nn[n-]n2)CC1(F)F ZINC001590134915 1173266250 /nfs/dbraw/zinc/26/62/50/1173266250.db2.gz FNUINLRXLZDGBO-VIFPVBQESA-N -1 1 267.243 1.114 20 0 CDADMM C[C@]12CCN(c3cccnc3-c3nnn[n-]3)C[C@H]1C2(F)F ZINC001590157810 1173275218 /nfs/dbraw/zinc/27/52/18/1173275218.db2.gz VIOFWZBMSSBHTL-SKDRFNHKSA-N -1 1 292.293 1.743 20 0 CDADMM C[C@]12CCN(c3cccnc3-c3nn[n-]n3)C[C@H]1C2(F)F ZINC001590157810 1173275222 /nfs/dbraw/zinc/27/52/22/1173275222.db2.gz VIOFWZBMSSBHTL-SKDRFNHKSA-N -1 1 292.293 1.743 20 0 CDADMM CC1=CC[C@@](C)(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC1 ZINC001590161857 1173277630 /nfs/dbraw/zinc/27/76/30/1173277630.db2.gz WZWXYMSFGVJAPU-CYBMUJFWSA-N -1 1 287.327 1.665 20 0 CDADMM CC1=CC[C@@](C)(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC1 ZINC001590161857 1173277635 /nfs/dbraw/zinc/27/76/35/1173277635.db2.gz WZWXYMSFGVJAPU-CYBMUJFWSA-N -1 1 287.327 1.665 20 0 CDADMM C[C@H]1C[C@H]1Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001590220375 1173302311 /nfs/dbraw/zinc/30/23/11/1173302311.db2.gz NJTFDGRCOMAKCS-WPRPVWTQSA-N -1 1 271.324 1.173 20 0 CDADMM C[C@@H]1C[C@H]1Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001590220368 1173302468 /nfs/dbraw/zinc/30/24/68/1173302468.db2.gz NJTFDGRCOMAKCS-SCZZXKLOSA-N -1 1 271.324 1.173 20 0 CDADMM CC1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001590264944 1173327894 /nfs/dbraw/zinc/32/78/94/1173327894.db2.gz VPHNPSUMXCHBOO-UHFFFAOYSA-N -1 1 286.339 1.063 20 0 CDADMM CC1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001590264944 1173327901 /nfs/dbraw/zinc/32/79/01/1173327901.db2.gz VPHNPSUMXCHBOO-UHFFFAOYSA-N -1 1 286.339 1.063 20 0 CDADMM C[C@@H]1CCN(c2cccnc2-c2nnn[n-]2)C[C@@H]1C ZINC001590273809 1173335683 /nfs/dbraw/zinc/33/56/83/1173335683.db2.gz ADWDSLXGRCLLCO-ZJUUUORDSA-N -1 1 258.329 1.744 20 0 CDADMM C[C@@H]1CCN(c2cccnc2-c2nn[n-]n2)C[C@@H]1C ZINC001590273809 1173335689 /nfs/dbraw/zinc/33/56/89/1173335689.db2.gz ADWDSLXGRCLLCO-ZJUUUORDSA-N -1 1 258.329 1.744 20 0 CDADMM C[C@@H]1COCC[C@H]1OC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590321903 1173353597 /nfs/dbraw/zinc/35/35/97/1173353597.db2.gz DGVBTZDDWUQPDO-VXNVDRBHSA-N -1 1 278.268 1.042 20 0 CDADMM C[C@@H]1COCC[C@H]1OC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590321903 1173353602 /nfs/dbraw/zinc/35/36/02/1173353602.db2.gz DGVBTZDDWUQPDO-VXNVDRBHSA-N -1 1 278.268 1.042 20 0 CDADMM C[C@@H]1COC[C@@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001590322985 1173354140 /nfs/dbraw/zinc/35/41/40/1173354140.db2.gz FFYFTVKOERDSKE-SVRRBLITSA-N -1 1 280.719 1.362 20 0 CDADMM C[C@@H]1COC[C@@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001590322985 1173354147 /nfs/dbraw/zinc/35/41/47/1173354147.db2.gz FFYFTVKOERDSKE-SVRRBLITSA-N -1 1 280.719 1.362 20 0 CDADMM C[C@H]1CSC[C@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590330055 1173362678 /nfs/dbraw/zinc/36/26/78/1173362678.db2.gz VXXIFSUACOEKBS-POYBYMJQSA-N -1 1 295.393 1.410 20 0 CDADMM CCCCN(C)Cn1ccc(C)c(-c2nn[n-]n2)c1=O ZINC001590600773 1173471686 /nfs/dbraw/zinc/47/16/86/1173471686.db2.gz UYOXKNRXXAGIIB-UHFFFAOYSA-N -1 1 276.344 1.026 20 0 CDADMM CCOCCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001590812269 1173519150 /nfs/dbraw/zinc/51/91/50/1173519150.db2.gz ZJSLGZBUWORLRC-UHFFFAOYSA-N -1 1 288.764 1.449 20 0 CDADMM CCOCCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590812269 1173519158 /nfs/dbraw/zinc/51/91/58/1173519158.db2.gz ZJSLGZBUWORLRC-UHFFFAOYSA-N -1 1 288.764 1.449 20 0 CDADMM CCO[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001590821666 1173521772 /nfs/dbraw/zinc/52/17/72/1173521772.db2.gz VKUAGXLAQICFDR-QMMMGPOBSA-N -1 1 293.352 1.179 20 0 CDADMM CCO[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001590821666 1173521775 /nfs/dbraw/zinc/52/17/75/1173521775.db2.gz VKUAGXLAQICFDR-QMMMGPOBSA-N -1 1 293.352 1.179 20 0 CDADMM CCSCCCNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590853322 1173527968 /nfs/dbraw/zinc/52/79/68/1173527968.db2.gz KQUBDOXXBLNQTP-UHFFFAOYSA-N -1 1 295.368 1.641 20 0 CDADMM CCSCCCNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590853322 1173527975 /nfs/dbraw/zinc/52/79/75/1173527975.db2.gz KQUBDOXXBLNQTP-UHFFFAOYSA-N -1 1 295.368 1.641 20 0 CDADMM CCc1[nH]nc(NC(=O)c2coc(-c3nnn[n-]3)c2)c1C ZINC001590871155 1173532637 /nfs/dbraw/zinc/53/26/37/1173532637.db2.gz RXGNEUAHTLYQMC-UHFFFAOYSA-N -1 1 287.283 1.306 20 0 CDADMM CCc1[nH]nc(NC(=O)c2coc(-c3nn[n-]n3)c2)c1C ZINC001590871155 1173532639 /nfs/dbraw/zinc/53/26/39/1173532639.db2.gz RXGNEUAHTLYQMC-UHFFFAOYSA-N -1 1 287.283 1.306 20 0 CDADMM CCc1c[nH]c(SCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001590875725 1173533066 /nfs/dbraw/zinc/53/30/66/1173533066.db2.gz OVZKABAAFNAZAF-UHFFFAOYSA-N -1 1 293.381 1.901 20 0 CDADMM CCc1c[nH]c(SCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001590875725 1173533073 /nfs/dbraw/zinc/53/30/73/1173533073.db2.gz OVZKABAAFNAZAF-UHFFFAOYSA-N -1 1 293.381 1.901 20 0 CDADMM CCc1nc(N[C@@H](C)CC(C)(C)O)cc(-c2nnn[n-]2)n1 ZINC001590914722 1173540416 /nfs/dbraw/zinc/54/04/16/1173540416.db2.gz FQDOPTGWZVUWTA-QMMMGPOBSA-N -1 1 291.359 1.181 20 0 CDADMM CCc1nc(N[C@@H](C)CC(C)(C)O)cc(-c2nn[n-]n2)n1 ZINC001590914722 1173540421 /nfs/dbraw/zinc/54/04/21/1173540421.db2.gz FQDOPTGWZVUWTA-QMMMGPOBSA-N -1 1 291.359 1.181 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCc3ccccc32)n1 ZINC001590909677 1173542420 /nfs/dbraw/zinc/54/24/20/1173542420.db2.gz OPRVVRWQHWJPAD-UHFFFAOYSA-N -1 1 293.334 1.913 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCc3ccccc32)n1 ZINC001590909677 1173542423 /nfs/dbraw/zinc/54/24/23/1173542423.db2.gz OPRVVRWQHWJPAD-UHFFFAOYSA-N -1 1 293.334 1.913 20 0 CDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)o1)c1ccc(F)cn1 ZINC001590992085 1173557532 /nfs/dbraw/zinc/55/75/32/1173557532.db2.gz FPILTKFLACJTLZ-UHFFFAOYSA-N -1 1 288.242 1.270 20 0 CDADMM CN1CC[C@H](Sc2cccc(F)c2-c2nn[n-]n2)C1=O ZINC001591180080 1173588831 /nfs/dbraw/zinc/58/88/31/1173588831.db2.gz IAIHFKRUJSHNFB-VIFPVBQESA-N -1 1 293.327 1.329 20 0 CDADMM COC1(CCOC(=O)c2coc(-c3nnn[n-]3)c2)CCC1 ZINC001591341466 1173620664 /nfs/dbraw/zinc/62/06/64/1173620664.db2.gz WBFFQTSEBOFANT-UHFFFAOYSA-N -1 1 292.295 1.576 20 0 CDADMM COC1(CCOC(=O)c2coc(-c3nn[n-]n3)c2)CCC1 ZINC001591341466 1173620667 /nfs/dbraw/zinc/62/06/67/1173620667.db2.gz WBFFQTSEBOFANT-UHFFFAOYSA-N -1 1 292.295 1.576 20 0 CDADMM CON(CC1CCOCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001591465356 1173655569 /nfs/dbraw/zinc/65/55/69/1173655569.db2.gz UMFVZZQHSQSSGO-UHFFFAOYSA-N -1 1 290.327 1.056 20 0 CDADMM CON(CC1CCOCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001591465356 1173655573 /nfs/dbraw/zinc/65/55/73/1173655573.db2.gz UMFVZZQHSQSSGO-UHFFFAOYSA-N -1 1 290.327 1.056 20 0 CDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)o1)c1cnccn1 ZINC001591771462 1173699845 /nfs/dbraw/zinc/69/98/45/1173699845.db2.gz SNELEMKFSXLXKO-ZETCQYMHSA-N -1 1 286.251 1.168 20 0 CDADMM C[C@]12CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001591779970 1173702284 /nfs/dbraw/zinc/70/22/84/1173702284.db2.gz FLSFXQGRUBJFRN-BQVMBELUSA-N -1 1 295.350 1.305 20 0 CDADMM C[C@]12CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001591779970 1173702288 /nfs/dbraw/zinc/70/22/88/1173702288.db2.gz FLSFXQGRUBJFRN-BQVMBELUSA-N -1 1 295.350 1.305 20 0 CDADMM Cc1c(-c2nnn[n-]2)c(NC(=O)C2CC(C)(C)C2)nn1C ZINC001591797730 1173706110 /nfs/dbraw/zinc/70/61/10/1173706110.db2.gz ATVUOGJCFGHNNW-UHFFFAOYSA-N -1 1 289.343 1.283 20 0 CDADMM Cc1c(-c2nn[n-]n2)c(NC(=O)C2CC(C)(C)C2)nn1C ZINC001591797730 1173706112 /nfs/dbraw/zinc/70/61/12/1173706112.db2.gz ATVUOGJCFGHNNW-UHFFFAOYSA-N -1 1 289.343 1.283 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(C(C)C)CC2)n1 ZINC001591884824 1173740189 /nfs/dbraw/zinc/74/01/89/1173740189.db2.gz BTUHIJZTJZJRRQ-UHFFFAOYSA-N -1 1 287.371 1.838 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(C(C)C)CC2)n1 ZINC001591884824 1173740194 /nfs/dbraw/zinc/74/01/94/1173740194.db2.gz BTUHIJZTJZJRRQ-UHFFFAOYSA-N -1 1 287.371 1.838 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@]2(C)CCCCO2)n1 ZINC001591896116 1173742116 /nfs/dbraw/zinc/74/21/16/1173742116.db2.gz WHRSJIPBWNXFRZ-ZDUSSCGKSA-N -1 1 289.343 1.336 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@]2(C)CCCCO2)n1 ZINC001591896116 1173742122 /nfs/dbraw/zinc/74/21/22/1173742122.db2.gz WHRSJIPBWNXFRZ-ZDUSSCGKSA-N -1 1 289.343 1.336 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)c2cccnc2)n1 ZINC001591901441 1173744394 /nfs/dbraw/zinc/74/43/94/1173744394.db2.gz ZPEXWKARFFMBIA-VIFPVBQESA-N -1 1 282.311 1.533 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)c2cccnc2)n1 ZINC001591901441 1173744398 /nfs/dbraw/zinc/74/43/98/1173744398.db2.gz ZPEXWKARFFMBIA-VIFPVBQESA-N -1 1 282.311 1.533 20 0 CDADMM Cc1cc(C)cc(CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001591951761 1173753388 /nfs/dbraw/zinc/75/33/88/1173753388.db2.gz YZLCEMXEMPOFHU-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1cc(C)cc(CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001591951761 1173753391 /nfs/dbraw/zinc/75/33/91/1173753391.db2.gz YZLCEMXEMPOFHU-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1cc(C)nc(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)c1 ZINC001591957024 1173754364 /nfs/dbraw/zinc/75/43/64/1173754364.db2.gz VQCGVZYVAMQMNE-UHFFFAOYSA-N -1 1 296.334 1.397 20 0 CDADMM Cc1cc(N2CCC[C@@H](F)C2)cc(-c2nnn[n-]2)n1 ZINC001592005307 1173772212 /nfs/dbraw/zinc/77/22/12/1173772212.db2.gz OAVDPDRIRMSGES-SECBINFHSA-N -1 1 262.292 1.508 20 0 CDADMM Cc1cc(N[C@H](C)C[C@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001592032740 1173775791 /nfs/dbraw/zinc/77/57/91/1173775791.db2.gz AFHHQMWHPFMZEA-MWLCHTKSSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(N[C@H](C)C[C@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001592032740 1173775796 /nfs/dbraw/zinc/77/57/96/1173775796.db2.gz AFHHQMWHPFMZEA-MWLCHTKSSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(N[C@@H]2CC3CCC2CC3)cc(-c2nnn[n-]2)n1 ZINC001592036626 1173778760 /nfs/dbraw/zinc/77/87/60/1173778760.db2.gz QNSQOYRJPGSRKX-GCZXYKMCSA-N -1 1 284.367 1.983 20 0 CDADMM Cc1cc(N[C@@H]2CC3CCC2CC3)cc(-c2nn[n-]n2)n1 ZINC001592036626 1173778764 /nfs/dbraw/zinc/77/87/64/1173778764.db2.gz QNSQOYRJPGSRKX-GCZXYKMCSA-N -1 1 284.367 1.983 20 0 CDADMM Cc1cc2c(cc1C)N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001592070173 1173793096 /nfs/dbraw/zinc/79/30/96/1173793096.db2.gz FWLCIYQUVRUVQD-UHFFFAOYSA-N -1 1 293.334 1.968 20 0 CDADMM Cc1cc2c(cc1C)N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001592070173 1173793103 /nfs/dbraw/zinc/79/31/03/1173793103.db2.gz FWLCIYQUVRUVQD-UHFFFAOYSA-N -1 1 293.334 1.968 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@]1(C)CCCCO1 ZINC001592114023 1173805652 /nfs/dbraw/zinc/80/56/52/1173805652.db2.gz MEYCMRNLHMSYML-AWEZNQCLSA-N -1 1 288.355 1.941 20 0 CDADMM Cc1ccc(F)cc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592174293 1173823187 /nfs/dbraw/zinc/82/31/87/1173823187.db2.gz ZCHYGJGKEMZXBC-UHFFFAOYSA-N -1 1 287.258 1.290 20 0 CDADMM Cc1ccc(F)cc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592174293 1173823192 /nfs/dbraw/zinc/82/31/92/1173823192.db2.gz ZCHYGJGKEMZXBC-UHFFFAOYSA-N -1 1 287.258 1.290 20 0 CDADMM Cc1ccc(N2CC[C@@H](C)[C@@H](F)C2)nc1-c1nnn[n-]1 ZINC001592176181 1173823914 /nfs/dbraw/zinc/82/39/14/1173823914.db2.gz XABRMYAPBBJNHR-SCZZXKLOSA-N -1 1 276.319 1.754 20 0 CDADMM Cc1ccc(N2CC[C@@H](C)[C@@H](F)C2)nc1-c1nn[n-]n1 ZINC001592176181 1173823918 /nfs/dbraw/zinc/82/39/18/1173823918.db2.gz XABRMYAPBBJNHR-SCZZXKLOSA-N -1 1 276.319 1.754 20 0 CDADMM Cc1ccc(N2CCC[C@@H]([C@H](C)O)C2)c(-c2nnn[n-]2)n1 ZINC001592177812 1173827084 /nfs/dbraw/zinc/82/70/84/1173827084.db2.gz KPAQQZNYZPYTHG-WDEREUQCSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(N2CCC[C@@H]([C@H](C)O)C2)c(-c2nn[n-]n2)n1 ZINC001592177812 1173827090 /nfs/dbraw/zinc/82/70/90/1173827090.db2.gz KPAQQZNYZPYTHG-WDEREUQCSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(NC[C@@H]2C[C@H](C)O[C@@H]2C)nc1-c1nnn[n-]1 ZINC001592183309 1173828429 /nfs/dbraw/zinc/82/84/29/1173828429.db2.gz POIWGALOBCBLDV-AXFHLTTASA-N -1 1 288.355 1.796 20 0 CDADMM Cc1ccc(NC[C@@H]2C[C@H](C)O[C@@H]2C)nc1-c1nn[n-]n1 ZINC001592183309 1173828430 /nfs/dbraw/zinc/82/84/30/1173828430.db2.gz POIWGALOBCBLDV-AXFHLTTASA-N -1 1 288.355 1.796 20 0 CDADMM Cc1nn(C)cc1CNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001592185080 1173831450 /nfs/dbraw/zinc/83/14/50/1173831450.db2.gz RJEKQNONNBLJID-UHFFFAOYSA-N -1 1 284.327 1.224 20 0 CDADMM Cc1nn(C)cc1CNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001592185080 1173831454 /nfs/dbraw/zinc/83/14/54/1173831454.db2.gz RJEKQNONNBLJID-UHFFFAOYSA-N -1 1 284.327 1.224 20 0 CDADMM Cc1cccc(C)c1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001592223710 1173833716 /nfs/dbraw/zinc/83/37/16/1173833716.db2.gz DCPLTEZSBLTKKG-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1cccc(C)c1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001592223710 1173833721 /nfs/dbraw/zinc/83/37/21/1173833721.db2.gz DCPLTEZSBLTKKG-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccc2c(c1)CCN2c1cc(-c2nnn[n-]2)ncn1 ZINC001592204484 1173833918 /nfs/dbraw/zinc/83/39/18/1173833918.db2.gz YFQNNHVFPJPYEC-UHFFFAOYSA-N -1 1 279.307 1.659 20 0 CDADMM Cc1ccc2c(c1)CCN2c1cc(-c2nn[n-]n2)ncn1 ZINC001592204484 1173833922 /nfs/dbraw/zinc/83/39/22/1173833922.db2.gz YFQNNHVFPJPYEC-UHFFFAOYSA-N -1 1 279.307 1.659 20 0 CDADMM Cc1cccc(Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)c1 ZINC001592232539 1173837002 /nfs/dbraw/zinc/83/70/02/1173837002.db2.gz UEBNTROVQWKSDS-UHFFFAOYSA-N -1 1 296.334 1.397 20 0 CDADMM Cc1csc(CNc2cc(-c3nnn[n-]3)nc(C)n2)c1 ZINC001592315196 1173852907 /nfs/dbraw/zinc/85/29/07/1173852907.db2.gz DYUQOSGIUBPIQK-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@@H]2CCO[C@H]2C)c1C ZINC001592339547 1173861332 /nfs/dbraw/zinc/86/13/32/1173861332.db2.gz OWAUSFQJBXYRMM-UWVGGRQHSA-N -1 1 262.317 1.105 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@@H]2CCO[C@H]2C)c1C ZINC001592339547 1173861338 /nfs/dbraw/zinc/86/13/38/1173861338.db2.gz OWAUSFQJBXYRMM-UWVGGRQHSA-N -1 1 262.317 1.105 20 0 CDADMM Cc1ncc(CNc2cc(-c3nnn[n-]3)nc(C)n2)s1 ZINC001592394007 1173879830 /nfs/dbraw/zinc/87/98/30/1173879830.db2.gz NFNYSVRFFMVFAG-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Cc1ncc(CNc2cc(-c3nn[n-]n3)nc(C)n2)s1 ZINC001592394007 1173879832 /nfs/dbraw/zinc/87/98/32/1173879832.db2.gz NFNYSVRFFMVFAG-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1Cc2ccncc2C1 ZINC001592498993 1173904161 /nfs/dbraw/zinc/90/41/61/1173904161.db2.gz HOWZVVDHPQPKSP-UHFFFAOYSA-N -1 1 296.290 1.319 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1Cc2ccncc2C1 ZINC001592498993 1173904166 /nfs/dbraw/zinc/90/41/66/1173904166.db2.gz HOWZVVDHPQPKSP-UHFFFAOYSA-N -1 1 296.290 1.319 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NOC/C=C/Cl ZINC001592500051 1173906995 /nfs/dbraw/zinc/90/69/95/1173906995.db2.gz IUBVHBFLRDCMQN-NSCUHMNNSA-N -1 1 283.675 1.182 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NOC/C=C/Cl ZINC001592500051 1173907000 /nfs/dbraw/zinc/90/70/00/1173907000.db2.gz IUBVHBFLRDCMQN-NSCUHMNNSA-N -1 1 283.675 1.182 20 0 CDADMM Clc1ccc(Oc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001592533596 1173912683 /nfs/dbraw/zinc/91/26/83/1173912683.db2.gz TZPHPHIZQOFUCK-UHFFFAOYSA-N -1 1 275.659 1.497 20 0 CDADMM Clc1ccc(Oc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001592533596 1173912687 /nfs/dbraw/zinc/91/26/87/1173912687.db2.gz TZPHPHIZQOFUCK-UHFFFAOYSA-N -1 1 275.659 1.497 20 0 CDADMM Cn1cc(NCc2cccc(-c3nnn[n-]3)n2)c(C2CC2)n1 ZINC001592574386 1173921840 /nfs/dbraw/zinc/92/18/40/1173921840.db2.gz GPPRZNYZWWSOCM-UHFFFAOYSA-N -1 1 296.338 1.485 20 0 CDADMM Cn1cc(NCc2cccc(-c3nn[n-]n3)n2)c(C2CC2)n1 ZINC001592574386 1173921845 /nfs/dbraw/zinc/92/18/45/1173921845.db2.gz GPPRZNYZWWSOCM-UHFFFAOYSA-N -1 1 296.338 1.485 20 0 CDADMM F[C@@]1(c2ccccc2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001592631506 1173941619 /nfs/dbraw/zinc/94/16/19/1173941619.db2.gz SMAMNTYPOCIAMS-QMTHXVAHSA-N -1 1 297.297 1.128 20 0 CDADMM Fc1ccc(CNCc2nc(-c3nnn[n-]3)cs2)nc1 ZINC001592649759 1173952532 /nfs/dbraw/zinc/95/25/32/1173952532.db2.gz NSRYWZVCWGTOBD-UHFFFAOYSA-N -1 1 291.315 1.147 20 0 CDADMM Fc1ccc(CNCc2nc(-c3nn[n-]n3)cs2)nc1 ZINC001592649759 1173952538 /nfs/dbraw/zinc/95/25/38/1173952538.db2.gz NSRYWZVCWGTOBD-UHFFFAOYSA-N -1 1 291.315 1.147 20 0 CDADMM Fc1ccc(CCNc2ncncc2-c2nn[n-]n2)cc1 ZINC001592648864 1173952615 /nfs/dbraw/zinc/95/26/15/1173952615.db2.gz GMDBNSKHTCNKLP-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCC1CCC1 ZINC001592914916 1174003329 /nfs/dbraw/zinc/00/33/29/1174003329.db2.gz NDPVZKFDIXDMLA-UHFFFAOYSA-N -1 1 273.296 1.148 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCC1CCC1 ZINC001592914916 1174003335 /nfs/dbraw/zinc/00/33/35/1174003335.db2.gz NDPVZKFDIXDMLA-UHFFFAOYSA-N -1 1 273.296 1.148 20 0 CDADMM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(-c2nnn[n-]2)o1 ZINC001592983364 1174012073 /nfs/dbraw/zinc/01/20/73/1174012073.db2.gz SRWPLVNMNIGOGI-HRDYMLBCSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(-c2nn[n-]n2)o1 ZINC001592983364 1174012076 /nfs/dbraw/zinc/01/20/76/1174012076.db2.gz SRWPLVNMNIGOGI-HRDYMLBCSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(NCC1CCCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593032247 1174015328 /nfs/dbraw/zinc/01/53/28/1174015328.db2.gz QZOPMTYYSPQCPP-UHFFFAOYSA-N -1 1 272.312 1.182 20 0 CDADMM O=C(NCC1CCCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593032247 1174015333 /nfs/dbraw/zinc/01/53/33/1174015333.db2.gz QZOPMTYYSPQCPP-UHFFFAOYSA-N -1 1 272.312 1.182 20 0 CDADMM O=C(NC/C=C/Cl)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593055327 1174017534 /nfs/dbraw/zinc/01/75/34/1174017534.db2.gz LNAZQGNRYFTHKN-GORDUTHDSA-N -1 1 279.691 1.136 20 0 CDADMM O=C(NC/C=C/Cl)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593055327 1174017543 /nfs/dbraw/zinc/01/75/43/1174017543.db2.gz LNAZQGNRYFTHKN-GORDUTHDSA-N -1 1 279.691 1.136 20 0 CDADMM O=C(NC[C@@H]1C[C@H]1C1CCC1)c1coc(-c2nnn[n-]2)c1 ZINC001593111248 1174023902 /nfs/dbraw/zinc/02/39/02/1174023902.db2.gz UCRREFAZUYRFCJ-ONGXEEELSA-N -1 1 287.323 1.626 20 0 CDADMM O=C(NC[C@@H]1C[C@H]1C1CCC1)c1coc(-c2nn[n-]n2)c1 ZINC001593111248 1174023909 /nfs/dbraw/zinc/02/39/09/1174023909.db2.gz UCRREFAZUYRFCJ-ONGXEEELSA-N -1 1 287.323 1.626 20 0 CDADMM O=C(Nc1cccnc1F)c1cccc(-c2nnn[n-]2)n1 ZINC001593254664 1174041133 /nfs/dbraw/zinc/04/11/33/1174041133.db2.gz PPIANVQJDBEHEB-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(Nc1cccnc1F)c1cccc(-c2nn[n-]n2)n1 ZINC001593254664 1174041140 /nfs/dbraw/zinc/04/11/40/1174041140.db2.gz PPIANVQJDBEHEB-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(O[C@@H]1CCCCC1=O)c1ccsc1-c1nnn[n-]1 ZINC001593282103 1174048626 /nfs/dbraw/zinc/04/86/26/1174048626.db2.gz WNTUJMYFZJXCIJ-SECBINFHSA-N -1 1 292.320 1.597 20 0 CDADMM O=C(O[C@@H]1CCCCC1=O)c1ccsc1-c1nn[n-]n1 ZINC001593282103 1174048630 /nfs/dbraw/zinc/04/86/30/1174048630.db2.gz WNTUJMYFZJXCIJ-SECBINFHSA-N -1 1 292.320 1.597 20 0 CDADMM O=C(OCC[C@@H]1CCCO1)c1coc(-c2nnn[n-]2)c1 ZINC001593287476 1174053992 /nfs/dbraw/zinc/05/39/92/1174053992.db2.gz LRRMJWHSNAGTOK-VIFPVBQESA-N -1 1 278.268 1.186 20 0 CDADMM O=C(OCC[C@@H]1CCCO1)c1coc(-c2nn[n-]n2)c1 ZINC001593287476 1174053997 /nfs/dbraw/zinc/05/39/97/1174053997.db2.gz LRRMJWHSNAGTOK-VIFPVBQESA-N -1 1 278.268 1.186 20 0 CDADMM O=C(OCC[C@@H]1CCOC1)c1csc(-c2nnn[n-]2)c1 ZINC001593287127 1174054067 /nfs/dbraw/zinc/05/40/67/1174054067.db2.gz FNMLMSOSYQVARV-QMMMGPOBSA-N -1 1 294.336 1.512 20 0 CDADMM O=C(OCC[C@@H]1CCOC1)c1csc(-c2nn[n-]n2)c1 ZINC001593287127 1174054073 /nfs/dbraw/zinc/05/40/73/1174054073.db2.gz FNMLMSOSYQVARV-QMMMGPOBSA-N -1 1 294.336 1.512 20 0 CDADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@@H]1CCCCO1 ZINC001593297531 1174056540 /nfs/dbraw/zinc/05/65/40/1174056540.db2.gz JZKOCNBCJIBVLG-JTQLQIEISA-N -1 1 278.268 1.072 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@@H]1CCCCO1 ZINC001593297531 1174056546 /nfs/dbraw/zinc/05/65/46/1174056546.db2.gz JZKOCNBCJIBVLG-JTQLQIEISA-N -1 1 278.268 1.072 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@H]1CC12CCC2 ZINC001593301836 1174061483 /nfs/dbraw/zinc/06/14/83/1174061483.db2.gz QGPYZQUHJWGXJE-SNVBAGLBSA-N -1 1 285.307 1.495 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@H]1CC12CCC2 ZINC001593301836 1174061489 /nfs/dbraw/zinc/06/14/89/1174061489.db2.gz QGPYZQUHJWGXJE-SNVBAGLBSA-N -1 1 285.307 1.495 20 0 CDADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1C[C@@H](F)[C@@H](F)C1 ZINC001593350906 1174067981 /nfs/dbraw/zinc/06/79/81/1174067981.db2.gz YFJFQNUOUZGGGW-DTORHVGOSA-N -1 1 297.240 1.138 20 0 CDADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1C[C@@H](F)[C@@H](F)C1 ZINC001593350906 1174067988 /nfs/dbraw/zinc/06/79/88/1174067988.db2.gz YFJFQNUOUZGGGW-DTORHVGOSA-N -1 1 297.240 1.138 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@@H]2CCC[C@@H]21 ZINC001593338579 1174068164 /nfs/dbraw/zinc/06/81/64/1174068164.db2.gz DUTMQZAISKCSGG-UWVGGRQHSA-N -1 1 287.323 1.864 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@@H]2CCC[C@@H]21 ZINC001593338579 1174068169 /nfs/dbraw/zinc/06/81/69/1174068169.db2.gz DUTMQZAISKCSGG-UWVGGRQHSA-N -1 1 287.323 1.864 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCc2cccnc21 ZINC001593369194 1174070804 /nfs/dbraw/zinc/07/08/04/1174070804.db2.gz FEDNJIANRIVNJQ-UHFFFAOYSA-N -1 1 282.263 1.058 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCc2cccnc21 ZINC001593369194 1174070809 /nfs/dbraw/zinc/07/08/09/1174070809.db2.gz FEDNJIANRIVNJQ-UHFFFAOYSA-N -1 1 282.263 1.058 20 0 CDADMM O=Cc1ccc(Oc2nnccc2-c2nnn[n-]2)cc1 ZINC001593416543 1174076993 /nfs/dbraw/zinc/07/69/93/1174076993.db2.gz YSRJXGMXIDWIKG-UHFFFAOYSA-N -1 1 268.236 1.262 20 0 CDADMM O=Cc1ccc(Oc2nnccc2-c2nn[n-]n2)cc1 ZINC001593416543 1174076999 /nfs/dbraw/zinc/07/69/99/1174076999.db2.gz YSRJXGMXIDWIKG-UHFFFAOYSA-N -1 1 268.236 1.262 20 0 CDADMM O=Cc1ccc(Oc2ccnc(-c3nn[n-]n3)n2)cc1F ZINC001593416467 1174077694 /nfs/dbraw/zinc/07/76/94/1174077694.db2.gz UXUKZZPRUQBIKQ-UHFFFAOYSA-N -1 1 286.226 1.401 20 0 CDADMM OCC[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccco1 ZINC001593528138 1174101660 /nfs/dbraw/zinc/10/16/60/1174101660.db2.gz FKRKOUHHPXKTMR-VIFPVBQESA-N -1 1 286.295 1.390 20 0 CDADMM OCC[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccco1 ZINC001593528138 1174101664 /nfs/dbraw/zinc/10/16/64/1174101664.db2.gz FKRKOUHHPXKTMR-VIFPVBQESA-N -1 1 286.295 1.390 20 0 CDADMM OC[C@H]1C[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001593532844 1174107446 /nfs/dbraw/zinc/10/74/46/1174107446.db2.gz IMCKRZKZMNLGDE-LJGSYFOKSA-N -1 1 280.719 1.098 20 0 CDADMM OC[C@H]1C[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001593532844 1174107448 /nfs/dbraw/zinc/10/74/48/1174107448.db2.gz IMCKRZKZMNLGDE-LJGSYFOKSA-N -1 1 280.719 1.098 20 0 CDADMM O[C@@H]1CCCC[C@@H]1CCNc1cc(-c2nnn[n-]2)ncn1 ZINC001593536120 1174110258 /nfs/dbraw/zinc/11/02/58/1174110258.db2.gz BPALYXSXHFSRCF-MWLCHTKSSA-N -1 1 289.343 1.010 20 0 CDADMM O[C@@H]1CCCC[C@@H]1CCNc1cc(-c2nn[n-]n2)ncn1 ZINC001593536120 1174110263 /nfs/dbraw/zinc/11/02/63/1174110263.db2.gz BPALYXSXHFSRCF-MWLCHTKSSA-N -1 1 289.343 1.010 20 0 CDADMM Oc1ccc(CCCNc2ncncc2-c2nn[n-]n2)cc1 ZINC001593540817 1174112954 /nfs/dbraw/zinc/11/29/54/1174112954.db2.gz RLZCZCIHXYHZQF-UHFFFAOYSA-N -1 1 297.322 1.407 20 0 CDADMM c1cc(-c2nnn[n-]2)ncc1-c1nc(C2CCC2)no1 ZINC001593551436 1174123340 /nfs/dbraw/zinc/12/33/40/1174123340.db2.gz KYMQPJGXLXKCIH-UHFFFAOYSA-N -1 1 269.268 1.579 20 0 CDADMM c1cc(-c2nn[n-]n2)ncc1-c1nc(C2CCC2)no1 ZINC001593551436 1174123343 /nfs/dbraw/zinc/12/33/43/1174123343.db2.gz KYMQPJGXLXKCIH-UHFFFAOYSA-N -1 1 269.268 1.579 20 0 CDADMM c1cc2c(c(Oc3cncc(-c4nnn[n-]4)n3)c1)OCC2 ZINC001593567111 1174143213 /nfs/dbraw/zinc/14/32/13/1174143213.db2.gz UUVZXLPYODBWGV-UHFFFAOYSA-N -1 1 282.263 1.384 20 0 CDADMM c1cc2c(c(Oc3cncc(-c4nn[n-]n4)n3)c1)OCC2 ZINC001593567111 1174143216 /nfs/dbraw/zinc/14/32/16/1174143216.db2.gz UUVZXLPYODBWGV-UHFFFAOYSA-N -1 1 282.263 1.384 20 0 CDADMM c1cncc([C@@H]2CCCN2c2cc(-c3nnn[n-]3)ncn2)c1 ZINC001593587988 1174155112 /nfs/dbraw/zinc/15/51/12/1174155112.db2.gz QXAKYUFTIUBBEL-LBPRGKRZSA-N -1 1 294.322 1.393 20 0 CDADMM c1cncc([C@@H]2CCCN2c2cc(-c3nn[n-]n3)ncn2)c1 ZINC001593587988 1174155115 /nfs/dbraw/zinc/15/51/15/1174155115.db2.gz QXAKYUFTIUBBEL-LBPRGKRZSA-N -1 1 294.322 1.393 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NCCCOC1CCCC1 ZINC001593590387 1174157773 /nfs/dbraw/zinc/15/77/73/1174157773.db2.gz QHDREXGEUCPKAD-UHFFFAOYSA-N -1 1 289.343 1.418 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NCCCOC1CCCC1 ZINC001593590387 1174157777 /nfs/dbraw/zinc/15/77/77/1174157777.db2.gz QHDREXGEUCPKAD-UHFFFAOYSA-N -1 1 289.343 1.418 20 0 CDADMM CC1(C(=O)[O-])CN(C(=O)c2cccc(F)c2O)C1 ZINC001593804738 1174172816 /nfs/dbraw/zinc/17/28/16/1174172816.db2.gz CSYBZWISUFPOED-UHFFFAOYSA-N -1 1 253.229 1.078 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc3cncn3c2)C[C@]1(C)C(=O)[O-] ZINC001599925674 1174328876 /nfs/dbraw/zinc/32/88/76/1174328876.db2.gz WEFVWJABJRFCPG-BONVTDFDSA-N -1 1 287.319 1.517 20 0 CDADMM Cc1cc(C(=O)N[C@@]2(C)CN3CCC2CC3)oc1C(=O)[O-] ZINC001600090103 1174359002 /nfs/dbraw/zinc/35/90/02/1174359002.db2.gz UEMCBRUCRHZEMD-HNNXBMFYSA-N -1 1 292.335 1.500 20 0 CDADMM Cc1cc(C(=O)[O-])oc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC001600131115 1174372381 /nfs/dbraw/zinc/37/23/81/1174372381.db2.gz KHRFOZKFXOOVNI-VIFPVBQESA-N -1 1 289.291 1.817 20 0 CDADMM Cc1ccc(C(=O)N[C@@]23CC[N@@H+](C2)CCC3)cc1C(=O)[O-] ZINC001600335909 1174447883 /nfs/dbraw/zinc/44/78/83/1174447883.db2.gz LRFIEOHWHMSWJH-INIZCTEOSA-N -1 1 288.347 1.661 20 0 CDADMM Cc1ccc([C@@H]2CCCN2CC(=O)NCCC(=O)[O-])cc1 ZINC001600394329 1174462195 /nfs/dbraw/zinc/46/21/95/1174462195.db2.gz HZDGHRBBAYKQNQ-AWEZNQCLSA-N -1 1 290.363 1.723 20 0 CDADMM O=C(C[NH+]1CCCCC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000095172555 1174504020 /nfs/dbraw/zinc/50/40/20/1174504020.db2.gz VLSKSPDAQJDEQN-UHFFFAOYSA-N -1 1 286.339 1.291 20 0 CDADMM Cc1cccc2ncc(C[N@@H+]3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)n21 ZINC001600560918 1174505783 /nfs/dbraw/zinc/50/57/83/1174505783.db2.gz VZCRFECVPLTLBI-IMRBUKKESA-N -1 1 271.320 1.405 20 0 CDADMM Cc1[nH]nc(CNC(=O)Cc2ccc(C(=O)[O-])cc2)c1C ZINC001600671058 1174556577 /nfs/dbraw/zinc/55/65/77/1174556577.db2.gz FFXBMJXPELXNHN-UHFFFAOYSA-N -1 1 287.319 1.584 20 0 CDADMM Cc1ncccc1CN1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001600752460 1174590836 /nfs/dbraw/zinc/59/08/36/1174590836.db2.gz LJDJGNJKRAHZNO-UHFFFAOYSA-N -1 1 272.308 1.411 20 0 CDADMM Cn1c(CNc2cnn(-c3ccncc3)c2)ccc1C(=O)[O-] ZINC001600918681 1174664804 /nfs/dbraw/zinc/66/48/04/1174664804.db2.gz JCHWXIFEOHOEJQ-UHFFFAOYSA-N -1 1 297.318 1.916 20 0 CDADMM O=C([O-])[C@@H](CCF)NC(=O)Cc1[nH]nc2ccccc21 ZINC001601375165 1174849164 /nfs/dbraw/zinc/84/91/64/1174849164.db2.gz FNFDUDPBVKYOPN-SNVBAGLBSA-N -1 1 279.271 1.034 20 0 CDADMM O=C([O-])[C@@]1(NC(=O)c2cccc(F)c2O)CCSC1 ZINC001601432507 1174869640 /nfs/dbraw/zinc/86/96/40/1174869640.db2.gz VIQWVQMUHGFVJB-GFCCVEGCSA-N -1 1 285.296 1.221 20 0 CDADMM O=C([O-])[C@H](CF)NCc1ccccc1N1CCCC1 ZINC001601648449 1174930240 /nfs/dbraw/zinc/93/02/40/1174930240.db2.gz BQDBXCHCCOQJHC-LBPRGKRZSA-N -1 1 266.316 1.799 20 0 CDADMM O=C([O-])[C@H](c1ccccc1)N1CCc2nc[nH]c2C1 ZINC001601696609 1174948064 /nfs/dbraw/zinc/94/80/64/1174948064.db2.gz SARSATQRQWGNNO-ZDUSSCGKSA-N -1 1 257.293 1.594 20 0 CDADMM O=C([O-])[C@H]1C[C@H](O)CN1Cc1ccc(F)c2ccccc12 ZINC001601772578 1174999176 /nfs/dbraw/zinc/99/91/76/1174999176.db2.gz LRCUZYHNEBUTNY-XHDPSFHLSA-N -1 1 289.306 1.999 20 0 CDADMM O=C([O-])Cc1cccc(NC(=O)CCc2cnc[nH]2)n1 ZINC001602135476 1175138010 /nfs/dbraw/zinc/13/80/10/1175138010.db2.gz BVMKDJOOYYXQMR-UHFFFAOYSA-N -1 1 274.280 1.003 20 0 CDADMM O=C([O-])[C@H]1CCCCN1C(=O)c1coc([C@@H]2CCCN2)n1 ZINC001602211781 1175167614 /nfs/dbraw/zinc/16/76/14/1175167614.db2.gz DXLKKWPMZYXIRZ-GXSJLCMTSA-N -1 1 293.323 1.178 20 0 CDADMM O=C([O-])[C@]12CCC[C@H]1[N@@H+](CC[S@@](=O)C(F)(F)F)CC2 ZINC001602222831 1175174000 /nfs/dbraw/zinc/17/40/00/1175174000.db2.gz IOCRGEQUJLCFAF-KVHAEHDBSA-N -1 1 299.314 1.584 20 0 CDADMM O=C([O-])c1ccc(C(=O)Nc2ccccc2-c2nnc[nH]2)[nH]1 ZINC001602325081 1175205038 /nfs/dbraw/zinc/20/50/38/1175205038.db2.gz MVOQNRYYSFLOEG-UHFFFAOYSA-N -1 1 297.274 1.750 20 0 CDADMM O=C([O-])c1ccc(CN[C@H](CO)c2ccccc2)[nH]1 ZINC001602350704 1175221804 /nfs/dbraw/zinc/22/18/04/1175221804.db2.gz YRFGVBLDFAUSLQ-CYBMUJFWSA-N -1 1 260.293 1.536 20 0 CDADMM O=C([O-])c1cccc(Cl)c1CN1C[C@H](O)C2(CC2)C1 ZINC001602441444 1175242336 /nfs/dbraw/zinc/24/23/36/1175242336.db2.gz MJTVMEMIVDFLNE-LBPRGKRZSA-N -1 1 281.739 1.995 20 0 CDADMM O=C([O-])c1occc1CN1CCC(N2CCOC2=O)CC1 ZINC001602588469 1175310905 /nfs/dbraw/zinc/31/09/05/1175310905.db2.gz ZJICTDRMUYOAGA-UHFFFAOYSA-N -1 1 294.307 1.394 20 0 CDADMM CC(=O)CN[C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001603001682 1175477037 /nfs/dbraw/zinc/47/70/37/1175477037.db2.gz ANZGCYAWUMYGEG-CYBMUJFWSA-N -1 1 253.273 1.694 20 0 CDADMM CC(C)(C)N1CC[C@@H]1C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC001603344633 1175545253 /nfs/dbraw/zinc/54/52/53/1175545253.db2.gz OJIUSZJWIFTIAF-RVMXOQNASA-N -1 1 294.395 1.571 20 0 CDADMM C[C@@H](CNc1cccc(-c2nnn[n-]2)n1)CC(F)F ZINC001603556609 1175565040 /nfs/dbraw/zinc/56/50/40/1175565040.db2.gz ZWVJOLJIMXYMQF-SSDOTTSWSA-N -1 1 268.271 1.965 20 0 CDADMM C[C@@H](CNc1cccc(-c2nn[n-]n2)n1)CC(F)F ZINC001603556609 1175565046 /nfs/dbraw/zinc/56/50/46/1175565046.db2.gz ZWVJOLJIMXYMQF-SSDOTTSWSA-N -1 1 268.271 1.965 20 0 CDADMM C[C@@H](Cc1cccnc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001603584779 1175571216 /nfs/dbraw/zinc/57/12/16/1175571216.db2.gz HLKVTPJDFFVHIO-VIFPVBQESA-N -1 1 282.311 1.095 20 0 CDADMM C[C@@H](Cc1cccnc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001603584779 1175571225 /nfs/dbraw/zinc/57/12/25/1175571225.db2.gz HLKVTPJDFFVHIO-VIFPVBQESA-N -1 1 282.311 1.095 20 0 CDADMM CC(F)(F)CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001603594988 1175574512 /nfs/dbraw/zinc/57/45/12/1175574512.db2.gz ZDIQEHVOPOHEBW-UHFFFAOYSA-N -1 1 283.238 1.556 20 0 CDADMM C[C@@H](NC(=O)c1ccsc1-c1nnn[n-]1)C1CCC1 ZINC001603650052 1175586398 /nfs/dbraw/zinc/58/63/98/1175586398.db2.gz UGJPOTQFCJPDCS-SSDOTTSWSA-N -1 1 277.353 1.847 20 0 CDADMM C[C@@H](NC(=O)c1ccsc1-c1nn[n-]n1)C1CCC1 ZINC001603650052 1175586405 /nfs/dbraw/zinc/58/64/05/1175586405.db2.gz UGJPOTQFCJPDCS-SSDOTTSWSA-N -1 1 277.353 1.847 20 0 CDADMM CC(C)(O)[C@@H](O)CN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001603688274 1175597439 /nfs/dbraw/zinc/59/74/39/1175597439.db2.gz OFARESDIKXBWQR-ZDUSSCGKSA-N -1 1 297.326 1.014 20 0 CDADMM CC(C)[C@H]1CN(C)CCN1C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001603759396 1175619629 /nfs/dbraw/zinc/61/96/29/1175619629.db2.gz JVBOHRKDEIZFFW-CHWSQXEVSA-N -1 1 295.383 1.141 20 0 CDADMM CC1(C)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001603777759 1175628454 /nfs/dbraw/zinc/62/84/54/1175628454.db2.gz OUONWVBVESZMIZ-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CC1(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)CCCCC1 ZINC001603798717 1175636169 /nfs/dbraw/zinc/63/61/69/1175636169.db2.gz XLMPKFSOGMLBRV-UHFFFAOYSA-N -1 1 289.343 1.889 20 0 CDADMM CC1(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)CCCCC1 ZINC001603798717 1175636174 /nfs/dbraw/zinc/63/61/74/1175636174.db2.gz XLMPKFSOGMLBRV-UHFFFAOYSA-N -1 1 289.343 1.889 20 0 CDADMM C[C@@]1(CNC(=O)c2csc(-c3nn[n-]n3)c2)CC1(F)F ZINC001603805115 1175638029 /nfs/dbraw/zinc/63/80/29/1175638029.db2.gz QERGCIYCBZQMTB-JTQLQIEISA-N -1 1 299.306 1.703 20 0 CDADMM C[C@@H]1C[C@H]1CNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001603870370 1175662078 /nfs/dbraw/zinc/66/20/78/1175662078.db2.gz HEWDRUNZCMZFAG-BDAKNGLRSA-N -1 1 296.334 1.734 20 0 CDADMM C[C@@H]1CCC(=O)CN1Cc1ccc(-c2nnn[n-]2)o1 ZINC001603874626 1175663885 /nfs/dbraw/zinc/66/38/85/1175663885.db2.gz YXXXOUAPKHQVMU-MRVPVSSYSA-N -1 1 261.285 1.013 20 0 CDADMM C[C@@H]1CCC(=O)CN1Cc1ccc(-c2nn[n-]n2)o1 ZINC001603874626 1175663888 /nfs/dbraw/zinc/66/38/88/1175663888.db2.gz YXXXOUAPKHQVMU-MRVPVSSYSA-N -1 1 261.285 1.013 20 0 CDADMM C[C@H]1CC[C@@H](OC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001603881341 1175668578 /nfs/dbraw/zinc/66/85/78/1175668578.db2.gz LFRPTEVYBASTQB-DTWKUNHWSA-N -1 1 273.296 1.607 20 0 CDADMM C[C@H]1CC[C@@H](OC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001603881341 1175668580 /nfs/dbraw/zinc/66/85/80/1175668580.db2.gz LFRPTEVYBASTQB-DTWKUNHWSA-N -1 1 273.296 1.607 20 0 CDADMM 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1 299.348 1.584 20 0 CDADMM CN1CCC[C@@H]1C(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC000738017673 574834026 /nfs/dbraw/zinc/83/40/26/574834026.db2.gz YNKUQBUQTBBQCS-CQSZACIVSA-N -1 1 290.363 1.237 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)c2cccc(Cl)n2)n1 ZINC000774295023 575196020 /nfs/dbraw/zinc/19/60/20/575196020.db2.gz YVBOBUOZELXMMA-UHFFFAOYSA-N -1 1 294.698 1.887 20 0 CDADMM Cc1ccnc(NC(=O)c2ccc3n[n-]c(=S)n3c2)c1 ZINC000774323750 575198966 /nfs/dbraw/zinc/19/89/66/575198966.db2.gz QELZBNODYUCQTL-UHFFFAOYSA-N -1 1 285.332 1.974 20 0 CDADMM O=C(NCc1cccc(F)n1)c1ccc([O-])c(F)c1 ZINC000768307835 575126797 /nfs/dbraw/zinc/12/67/97/575126797.db2.gz STQKCUFIUXYMAB-UHFFFAOYSA-N -1 1 264.231 1.995 20 0 CDADMM O=C([N-]S(=O)(=O)CC1CC1)c1cccc2cn[nH]c21 ZINC000733704105 575135638 /nfs/dbraw/zinc/13/56/38/575135638.db2.gz WUIMSOKBOYSJAV-UHFFFAOYSA-N -1 1 279.321 1.033 20 0 CDADMM CS/C=C\C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000767659158 576216626 /nfs/dbraw/zinc/21/66/26/576216626.db2.gz DUMFDUNTYAKHPP-FPLPWBNLSA-N -1 1 279.317 1.363 20 0 CDADMM Cc1c([N-]S(=O)(=O)c2ccnn2C)[nH]nc1C1CC1 ZINC000760324151 576476185 /nfs/dbraw/zinc/47/61/85/576476185.db2.gz VDZSIKVJNXUAGW-UHFFFAOYSA-N -1 1 281.341 1.130 20 0 CDADMM Cc1cccnc1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774968607 575257295 /nfs/dbraw/zinc/25/72/95/575257295.db2.gz WACVUNHIOUZUTI-UHFFFAOYSA-N -1 1 290.241 1.615 20 0 CDADMM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1ncccc1[O-] ZINC000734876939 575391836 /nfs/dbraw/zinc/39/18/36/575391836.db2.gz GJNJILRULRECMP-LBPRGKRZSA-N -1 1 284.319 1.693 20 0 CDADMM CC(C)c1ocnc1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000735953976 575538807 /nfs/dbraw/zinc/53/88/07/575538807.db2.gz PCSWBSHGKFZTPI-MRVPVSSYSA-N -1 1 278.316 1.187 20 0 CDADMM CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnn[n-]1 ZINC000736156958 575580115 /nfs/dbraw/zinc/58/01/15/575580115.db2.gz QGQXMZKPBPVLSD-MRVPVSSYSA-N -1 1 298.347 1.078 20 0 CDADMM CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nn[n-]n1 ZINC000736156958 575580118 /nfs/dbraw/zinc/58/01/18/575580118.db2.gz 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/nfs/dbraw/zinc/66/19/37/575661937.db2.gz ZWJIROJDDOQPKI-JTQLQIEISA-N -1 1 276.344 1.879 20 0 CDADMM CCCC[C@@H](COC)Nc1cccc(-c2nn[n-]n2)n1 ZINC000736439837 575661940 /nfs/dbraw/zinc/66/19/40/575661940.db2.gz ZWJIROJDDOQPKI-JTQLQIEISA-N -1 1 276.344 1.879 20 0 CDADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)CNC(C)(C)C(=O)[O-] ZINC000736784364 575743863 /nfs/dbraw/zinc/74/38/63/575743863.db2.gz IDOMRIDAQXPBLS-GHMZBOCLSA-N -1 1 270.373 1.476 20 0 CDADMM CC[C@@H](C)[C@@H](NC(=O)C[N@@H+](CC(C)C)C(C)C)C(=O)[O-] ZINC000736879825 575768728 /nfs/dbraw/zinc/76/87/28/575768728.db2.gz RLPJGLDVKAIPPL-TZMCWYRMSA-N -1 1 286.416 1.968 20 0 CDADMM CCC[C@@](C)(NCC(=O)NCc1cccc(C)c1)C(=O)[O-] ZINC000736966059 575778574 /nfs/dbraw/zinc/77/85/74/575778574.db2.gz ZEKDJUAFLLPMGJ-MRXNPFEDSA-N -1 1 292.379 1.844 20 0 CDADMM CCN1CCN(c2ccc(C(=O)OCC(=O)[O-])cc2)CC1 ZINC000737114642 575827182 /nfs/dbraw/zinc/82/71/82/575827182.db2.gz CNNYGHUDABPVLJ-UHFFFAOYSA-N -1 1 292.335 1.070 20 0 CDADMM O=C(NCCCF)c1ccc2n[n-]c(=S)n2c1 ZINC000774067340 575850495 /nfs/dbraw/zinc/85/04/95/575850495.db2.gz YHDFBONPVIEYGQ-UHFFFAOYSA-N -1 1 254.290 1.107 20 0 CDADMM Cc1ccc(CCNc2nccnc2-c2nnn[n-]2)o1 ZINC000737336496 575942338 /nfs/dbraw/zinc/94/23/38/575942338.db2.gz GDUKENKVMSXMLB-UHFFFAOYSA-N -1 1 271.284 1.213 20 0 CDADMM Cc1ccc(CCNc2nccnc2-c2nn[n-]n2)o1 ZINC000737336496 575942340 /nfs/dbraw/zinc/94/23/40/575942340.db2.gz GDUKENKVMSXMLB-UHFFFAOYSA-N -1 1 271.284 1.213 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(CCCC2CCC2)CC1 ZINC001601778101 1175004029 /nfs/dbraw/zinc/00/40/29/1175004029.db2.gz KCOHWSMLWOJMLF-UONOGXRCSA-N -1 1 294.395 1.432 20 0 CDADMM CN(C)CC(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000737360195 575947142 /nfs/dbraw/zinc/94/71/42/575947142.db2.gz JGFRNSGGVBYYKQ-UHFFFAOYSA-N -1 1 294.351 1.108 20 0 CDADMM CN1CCCC[C@@H]1C(=O)NCCCCCCC(=O)[O-] ZINC000737518999 575981396 /nfs/dbraw/zinc/98/13/96/575981396.db2.gz VQELIDUZASAQJW-GFCCVEGCSA-N -1 1 270.373 1.622 20 0 CDADMM Cc1noc(C)c1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737534871 575986476 /nfs/dbraw/zinc/98/64/76/575986476.db2.gz NPSRHLBIYBDQMI-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1noc(C)c1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737534871 575986477 /nfs/dbraw/zinc/98/64/77/575986477.db2.gz NPSRHLBIYBDQMI-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1ccc([C@H](C)C(=O)N2CCC[C@H](c3nn[n-]n3)C2)o1 ZINC000765111048 575987815 /nfs/dbraw/zinc/98/78/15/575987815.db2.gz VZAJBNVFFNLMEX-QWRGUYRKSA-N -1 1 289.339 1.611 20 0 CDADMM Cn1[n-]c(COC(=O)C2(c3ccccc3)CCC2)nc1=O ZINC000765413541 576018872 /nfs/dbraw/zinc/01/88/72/576018872.db2.gz JOEIXMJVGHVVJC-UHFFFAOYSA-N -1 1 287.319 1.274 20 0 CDADMM Cc1cccc(C2(C(=O)OCc3nc(=O)n(C)[n-]3)CC2)c1 ZINC000765457415 576025770 /nfs/dbraw/zinc/02/57/70/576025770.db2.gz IQAUJVGTKBGUAB-UHFFFAOYSA-N -1 1 287.319 1.192 20 0 CDADMM C/C(=C/C(=O)OCc1nc(=O)n(C)[n-]1)C(C)(C)C ZINC000765488346 576029643 /nfs/dbraw/zinc/02/96/43/576029643.db2.gz KPRZCRIGWSIYLG-VURMDHGXSA-N -1 1 253.302 1.144 20 0 CDADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)OCC(=O)[O-] ZINC000738149502 576043422 /nfs/dbraw/zinc/04/34/22/576043422.db2.gz QOAQQNZPBPBDJG-UHFFFAOYSA-N -1 1 260.249 1.627 20 0 CDADMM Cc1nc(CN2CCN(CCCCC(=O)[O-])CC2)oc1C ZINC000738351756 576061912 /nfs/dbraw/zinc/06/19/12/576061912.db2.gz DPRGJQUBOZLBRK-UHFFFAOYSA-N -1 1 295.383 1.664 20 0 CDADMM O[C@H](CNc1cccc(-c2nnn[n-]2)n1)c1ccsc1 ZINC000738380223 576064996 /nfs/dbraw/zinc/06/49/96/576064996.db2.gz ARTOGYNKDCYRLY-SNVBAGLBSA-N -1 1 288.336 1.469 20 0 CDADMM O[C@H](CNc1cccc(-c2nn[n-]n2)n1)c1ccsc1 ZINC000738380223 576064999 /nfs/dbraw/zinc/06/49/99/576064999.db2.gz ARTOGYNKDCYRLY-SNVBAGLBSA-N -1 1 288.336 1.469 20 0 CDADMM O[C@H](CNc1cccc(-c2nnn[n-]2)n1)Cc1ccccc1 ZINC000738381003 576065238 /nfs/dbraw/zinc/06/52/38/576065238.db2.gz FLIQHEVMSOVYRS-LBPRGKRZSA-N -1 1 296.334 1.277 20 0 CDADMM O[C@H](CNc1cccc(-c2nn[n-]n2)n1)Cc1ccccc1 ZINC000738381003 576065240 /nfs/dbraw/zinc/06/52/40/576065240.db2.gz FLIQHEVMSOVYRS-LBPRGKRZSA-N -1 1 296.334 1.277 20 0 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258.303 1.426 20 0 CDADMM Cc1nnc(NC(=O)[N-]O[C@@H]2CCCCO2)s1 ZINC000749396793 576946683 /nfs/dbraw/zinc/94/66/83/576946683.db2.gz AMUMQXVNYDZWJR-SSDOTTSWSA-N -1 1 258.303 1.426 20 0 CDADMM COc1cn(-c2ccccc2)nc1C(=O)[N-]c1nonc1C ZINC000750551805 576995382 /nfs/dbraw/zinc/99/53/82/576995382.db2.gz NJGIOGCJDDWTIU-UHFFFAOYSA-N -1 1 299.290 1.825 20 0 CDADMM O=C(NC[C@@H](O)C1CC1)c1c([O-])cccc1Cl ZINC000752627101 577116674 /nfs/dbraw/zinc/11/66/74/577116674.db2.gz YCNKAKICYDKDGU-SNVBAGLBSA-N -1 1 255.701 1.546 20 0 CDADMM Cc1nn(C(F)F)c(C)c1CC(=O)[N-]OCC(F)F ZINC000759339280 577171244 /nfs/dbraw/zinc/17/12/44/577171244.db2.gz QWACASQPONYBGV-UHFFFAOYSA-N -1 1 283.225 1.750 20 0 CDADMM O=C([O-])[C@@H]1Cc2ccccc2CN1CC1=NOCC1 ZINC001601868862 1175042049 /nfs/dbraw/zinc/04/20/49/1175042049.db2.gz XBZGBJXLVVUASS-ZDUSSCGKSA-N -1 1 260.293 1.274 20 0 CDADMM O=C([O-])C[C@@]1(NCc2nccs2)CCCOC1 ZINC001601937912 1175075150 /nfs/dbraw/zinc/07/51/50/1175075150.db2.gz KZEPPKHCJPEAQB-NSHDSACASA-N -1 1 256.327 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CCC1(CNc2cccc(-c3nn[n-]n3)n2)CCOCC1 ZINC000820962095 599688952 /nfs/dbraw/zinc/68/89/52/599688952.db2.gz JTEGSSKKFLEVBJ-UHFFFAOYSA-N -1 1 288.355 1.880 20 0 CDADMM C[C@H](CN(CC(=O)Nc1ccccc1F)C1CC1)C(=O)[O-] ZINC000071734362 599947918 /nfs/dbraw/zinc/94/79/18/599947918.db2.gz PSCHOMTWURVROW-SNVBAGLBSA-N -1 1 294.326 1.949 20 0 CDADMM COCCN(CCC(=O)[O-])C(=O)c1cc(C(C)C)[nH]n1 ZINC000737791032 600633959 /nfs/dbraw/zinc/63/39/59/600633959.db2.gz ZCLGLTOXRVGQBT-UHFFFAOYSA-N -1 1 283.328 1.096 20 0 CDADMM CC(C)N1CCN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000111472439 600654589 /nfs/dbraw/zinc/65/45/89/600654589.db2.gz LCASFHFELNEOJZ-QWHCGFSZSA-N -1 1 282.384 1.430 20 0 CDADMM CCc1[nH]c(C(=O)N[C@@H](C)c2nnc[nH]2)c(C)c1C(=O)[O-] ZINC000830193545 600833574 /nfs/dbraw/zinc/83/35/74/600833574.db2.gz ZHLGXDVOVSPVAA-ZETCQYMHSA-N -1 1 291.311 1.193 20 0 CDADMM CC(C)C[C@H](C)N(C)C(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000826759939 601039400 /nfs/dbraw/zinc/03/94/00/601039400.db2.gz 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CCC(CC)[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001605014074 1163417279 /nfs/dbraw/zinc/41/72/79/1163417279.db2.gz JJPUQCCFYPJOIN-SKDRFNHKSA-N -1 1 281.356 1.594 20 0 CDADMM COC[C@H](CNc1cc(C)nc(-c2nnn[n-]2)c1)C(C)C ZINC001605057034 1163435291 /nfs/dbraw/zinc/43/52/91/1163435291.db2.gz WGLQSKJKIMLTEK-NSHDSACASA-N -1 1 290.371 1.901 20 0 CDADMM COC[C@H](CNc1cc(C)nc(-c2nn[n-]n2)c1)C(C)C ZINC001605057034 1163435294 /nfs/dbraw/zinc/43/52/94/1163435294.db2.gz WGLQSKJKIMLTEK-NSHDSACASA-N -1 1 290.371 1.901 20 0 CDADMM COCc1ccc(Nc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001605133616 1163462350 /nfs/dbraw/zinc/46/23/50/1163462350.db2.gz BSWKCCHRYFQQHQ-UHFFFAOYSA-N -1 1 282.307 1.574 20 0 CDADMM COCc1ccc(Nc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001605133616 1163462354 /nfs/dbraw/zinc/46/23/54/1163462354.db2.gz BSWKCCHRYFQQHQ-UHFFFAOYSA-N -1 1 282.307 1.574 20 0 CDADMM COc1ccc(Nc2ccnc(-c3nnn[n-]3)c2)c(OC)c1 ZINC001605300990 1163517027 /nfs/dbraw/zinc/51/70/27/1163517027.db2.gz BDCRXPSKHAKVPK-UHFFFAOYSA-N -1 1 298.306 1.444 20 0 CDADMM COc1ccc(Nc2ccnc(-c3nn[n-]n3)c2)c(OC)c1 ZINC001605300990 1163517031 /nfs/dbraw/zinc/51/70/31/1163517031.db2.gz BDCRXPSKHAKVPK-UHFFFAOYSA-N -1 1 298.306 1.444 20 0 CDADMM CCN(C(C)=O)c1nc(CN[C@H]2C[C@H](C(=O)[O-])C2)cs1 ZINC001605405569 1163551704 /nfs/dbraw/zinc/55/17/04/1163551704.db2.gz RSDWKCZWTCDVFM-MGCOHNPYSA-N -1 1 297.380 1.469 20 0 CDADMM CCOC(=O)c1c(C)[nH]nc1CN1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001605562901 1163611805 /nfs/dbraw/zinc/61/18/05/1163611805.db2.gz DXDWBRXHVXNVEG-NXEZZACHSA-N -1 1 295.339 1.190 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H]2c2ccccc2)n1 ZINC001605572701 1163613234 /nfs/dbraw/zinc/61/32/34/1163613234.db2.gz LGMONRADRZKFBF-RYUDHWBXSA-N -1 1 293.334 1.933 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H]2c2ccccc2)n1 ZINC001605572701 1163613237 /nfs/dbraw/zinc/61/32/37/1163613237.db2.gz LGMONRADRZKFBF-RYUDHWBXSA-N -1 1 293.334 1.933 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)c2ccccn2)n1 ZINC001605576203 1163614744 /nfs/dbraw/zinc/61/47/44/1163614744.db2.gz WKBQPKZVFBGXLE-VIFPVBQESA-N -1 1 296.338 1.576 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)c2ccccn2)n1 ZINC001605576203 1163614746 /nfs/dbraw/zinc/61/47/46/1163614746.db2.gz WKBQPKZVFBGXLE-VIFPVBQESA-N -1 1 296.338 1.576 20 0 CDADMM Cc1cc(N[C@@H](C)CC(C)(C)O)nc(-c2nnn[n-]2)c1 ZINC001605721587 1163649771 /nfs/dbraw/zinc/64/97/71/1163649771.db2.gz ULXQBXVPXGXPLE-VIFPVBQESA-N -1 1 276.344 1.532 20 0 CDADMM Cc1cc(N[C@@H](C)CC(C)(C)O)nc(-c2nn[n-]n2)c1 ZINC001605721587 1163649774 /nfs/dbraw/zinc/64/97/74/1163649774.db2.gz ULXQBXVPXGXPLE-VIFPVBQESA-N -1 1 276.344 1.532 20 0 CDADMM Cc1cc(N[C@H]2CS[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001605723040 1163651122 /nfs/dbraw/zinc/65/11/22/1163651122.db2.gz GPODHKMNUNWDBT-PSASIEDQSA-N -1 1 276.369 1.298 20 0 CDADMM Cc1cc(N[C@H]2CS[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001605723040 1163651126 /nfs/dbraw/zinc/65/11/26/1163651126.db2.gz GPODHKMNUNWDBT-PSASIEDQSA-N -1 1 276.369 1.298 20 0 CDADMM Cc1cc(N[C@@H]2CC[C@H]3C[C@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001605723724 1163651610 /nfs/dbraw/zinc/65/16/10/1163651610.db2.gz ULINNUMKQXTMJW-GARJFASQSA-N -1 1 270.340 1.593 20 0 CDADMM Cc1cc(N[C@@H]2CC[C@H]3C[C@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001605723724 1163651613 /nfs/dbraw/zinc/65/16/13/1163651613.db2.gz ULINNUMKQXTMJW-GARJFASQSA-N -1 1 270.340 1.593 20 0 CDADMM Cc1ccc(CCNc2ccnc(-c3nn[n-]n3)n2)c(C)c1 ZINC001605843086 1163685113 /nfs/dbraw/zinc/68/51/13/1163685113.db2.gz KFVTYSMSLZOSKU-UHFFFAOYSA-N -1 1 295.350 1.350 20 0 CDADMM Cc1nsc(N2CCC(F)(F)CC2)c1-c1nn[n-]n1 ZINC001606144050 1163787858 /nfs/dbraw/zinc/78/78/58/1163787858.db2.gz GTHCBSGNDJJOBE-UHFFFAOYSA-N -1 1 286.311 1.867 20 0 CDADMM Cc1nsc(N[C@H]2CO[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001606155894 1163790802 /nfs/dbraw/zinc/79/08/02/1163790802.db2.gz JVRJDDITUVTBQL-CAHLUQPWSA-N -1 1 266.330 1.221 20 0 CDADMM CN(Cc1nc2ccccc2c(=O)[nH]1)CC1(C(=O)[O-])CC1 ZINC001606177841 1163798872 /nfs/dbraw/zinc/79/88/72/1163798872.db2.gz UKAQSNYFAPBYDG-UHFFFAOYSA-N -1 1 287.319 1.632 20 0 CDADMM Cc1oncc1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001606180755 1163799129 /nfs/dbraw/zinc/79/91/29/1163799129.db2.gz WQXGRFJWXDKSSI-UHFFFAOYSA-N -1 1 297.731 1.885 20 0 CDADMM Cc1oncc1CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001606180755 1163799138 /nfs/dbraw/zinc/79/91/38/1163799138.db2.gz WQXGRFJWXDKSSI-UHFFFAOYSA-N -1 1 297.731 1.885 20 0 CDADMM Clc1ccnc(CNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001606196732 1163803765 /nfs/dbraw/zinc/80/37/65/1163803765.db2.gz UMBMQYORTSELTH-UHFFFAOYSA-N -1 1 287.714 1.344 20 0 CDADMM Clc1ccnc(CNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001606196732 1163803771 /nfs/dbraw/zinc/80/37/71/1163803771.db2.gz UMBMQYORTSELTH-UHFFFAOYSA-N -1 1 287.714 1.344 20 0 CDADMM FC(F)(F)[C@@H]1C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001606290567 1163838511 /nfs/dbraw/zinc/83/85/11/1163838511.db2.gz IJAFDQYMYCALQK-INEUFUBQSA-N -1 1 271.206 1.019 20 0 CDADMM FC(F)(F)[C@@H]1C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001606290567 1163838516 /nfs/dbraw/zinc/83/85/16/1163838516.db2.gz IJAFDQYMYCALQK-INEUFUBQSA-N -1 1 271.206 1.019 20 0 CDADMM Fc1cccc2c1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001606331321 1163864804 /nfs/dbraw/zinc/86/48/04/1163864804.db2.gz AFEAJJOSVZXSCL-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM Fc1cccc2c1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001606331321 1163864810 /nfs/dbraw/zinc/86/48/10/1163864810.db2.gz AFEAJJOSVZXSCL-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM COC(=O)CCCN1CCc2ccc(C(=O)[O-])cc2C1 ZINC001606453357 1163906374 /nfs/dbraw/zinc/90/63/74/1163906374.db2.gz WMYGDCTXVLCUAP-UHFFFAOYSA-N -1 1 277.320 1.696 20 0 CDADMM COC(=O)c1nc[nH]c1NC(=O)c1oc(C(=O)[O-])cc1C ZINC001606636085 1163942235 /nfs/dbraw/zinc/94/22/35/1163942235.db2.gz XEWSNAFKASITAP-UHFFFAOYSA-N -1 1 293.235 1.048 20 0 CDADMM COC(=O)c1sccc1CN1CCC[C@H]1CC(=O)[O-] ZINC001606643812 1163944004 /nfs/dbraw/zinc/94/40/04/1163944004.db2.gz KSIHBBAYUKVDNY-JTQLQIEISA-N -1 1 283.349 1.974 20 0 CDADMM O=C(N[C@@]12C[C@@H]1CCCC2)c1ccc(-c2nnn[n-]2)s1 ZINC001606645272 1163945232 /nfs/dbraw/zinc/94/52/32/1163945232.db2.gz SDHMLWCHYWPDLG-SDBXPKJASA-N -1 1 289.364 1.991 20 0 CDADMM O=C(N[C@@]12C[C@@H]1CCCC2)c1ccc(-c2nn[n-]n2)s1 ZINC001606645272 1163945239 /nfs/dbraw/zinc/94/52/39/1163945239.db2.gz SDHMLWCHYWPDLG-SDBXPKJASA-N -1 1 289.364 1.991 20 0 CDADMM O=C(NCC1(C2CC2)CC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606705894 1163964987 /nfs/dbraw/zinc/96/49/87/1163964987.db2.gz XERYPQCLSOEYEX-UHFFFAOYSA-N -1 1 299.338 1.573 20 0 CDADMM O=C(NCC1(C2CC2)CC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606705894 1163964993 /nfs/dbraw/zinc/96/49/93/1163964993.db2.gz XERYPQCLSOEYEX-UHFFFAOYSA-N -1 1 299.338 1.573 20 0 CDADMM O=C(NCCc1ccoc1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606796812 1163996784 /nfs/dbraw/zinc/99/67/84/1163996784.db2.gz YWUMAEZLQZMARF-UHFFFAOYSA-N -1 1 299.294 1.219 20 0 CDADMM O=C(NCCc1ccoc1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606796812 1163996789 /nfs/dbraw/zinc/99/67/89/1163996789.db2.gz YWUMAEZLQZMARF-UHFFFAOYSA-N -1 1 299.294 1.219 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H](F)c1ccccc1 ZINC001606892519 1164024768 /nfs/dbraw/zinc/02/47/68/1164024768.db2.gz NGVRGXKBKZNTDQ-VIFPVBQESA-N -1 1 287.258 1.239 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H](F)c1ccccc1 ZINC001606892519 1164024774 /nfs/dbraw/zinc/02/47/74/1164024774.db2.gz NGVRGXKBKZNTDQ-VIFPVBQESA-N -1 1 287.258 1.239 20 0 CDADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@H]1CC12CCC2 ZINC001606892753 1164025592 /nfs/dbraw/zinc/02/55/92/1164025592.db2.gz XUNIVAMUUFPORU-MRVPVSSYSA-N -1 1 299.338 1.596 20 0 CDADMM O=C(Nc1ccnn1CC1CC1)c1ccc(-c2nn[n-]n2)o1 ZINC001606944675 1164036584 /nfs/dbraw/zinc/03/65/84/1164036584.db2.gz ARQNIYLFGXHCOD-UHFFFAOYSA-N -1 1 299.294 1.319 20 0 CDADMM O=C(OCc1ccncc1)c1ccc(-c2nnn[n-]2)s1 ZINC001606982997 1164049583 /nfs/dbraw/zinc/04/95/83/1164049583.db2.gz VQFSHVADJZKYOR-UHFFFAOYSA-N -1 1 287.304 1.680 20 0 CDADMM O=C(OCc1ccncc1)c1ccc(-c2nn[n-]n2)s1 ZINC001606982997 1164049586 /nfs/dbraw/zinc/04/95/86/1164049586.db2.gz VQFSHVADJZKYOR-UHFFFAOYSA-N -1 1 287.304 1.680 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ncn1CCCc1ccsc1 ZINC001607090206 1164074314 /nfs/dbraw/zinc/07/43/14/1164074314.db2.gz LLRCAEWGHAWNPV-UHFFFAOYSA-N -1 1 288.336 1.118 20 0 CDADMM c1cc(N2CC[C@@H]3CSC[C@@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001607120193 1164103987 /nfs/dbraw/zinc/10/39/87/1164103987.db2.gz PXJZMRYMURWFLW-ZJUUUORDSA-N -1 1 288.380 1.451 20 0 CDADMM c1cc(N2CC[C@@H]3CSC[C@@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001607120193 1164103991 /nfs/dbraw/zinc/10/39/91/1164103991.db2.gz PXJZMRYMURWFLW-ZJUUUORDSA-N -1 1 288.380 1.451 20 0 CDADMM c1cc(N[C@@H]2CCC[C@H](C3CC3)C2)nc(-c2nn[n-]n2)n1 ZINC001607122005 1164106351 /nfs/dbraw/zinc/10/63/51/1164106351.db2.gz QOCXRHSTXOPUQB-WDEREUQCSA-N -1 1 285.355 1.459 20 0 CDADMM c1ccc(C2CN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001607129856 1164109845 /nfs/dbraw/zinc/10/98/45/1164109845.db2.gz VLCSGTSKKZUSPJ-UHFFFAOYSA-N -1 1 279.307 1.261 20 0 CDADMM c1ccc(C2CN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001607129856 1164109849 /nfs/dbraw/zinc/10/98/49/1164109849.db2.gz VLCSGTSKKZUSPJ-UHFFFAOYSA-N -1 1 279.307 1.261 20 0 CDADMM c1cc(-c2nn[n-]n2)sc1Cn1nnc2ccccc21 ZINC001607132234 1164110980 /nfs/dbraw/zinc/11/09/80/1164110980.db2.gz YMLDNRSGNFPLTA-UHFFFAOYSA-N -1 1 283.320 1.721 20 0 CDADMM c1ccc2c(c1)CC[C@@H]2CNc1ncncc1-c1nn[n-]n1 ZINC001607132979 1164112766 /nfs/dbraw/zinc/11/27/66/1164112766.db2.gz WEUUOJHWTMVONU-LLVKDONJSA-N -1 1 293.334 1.799 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2C[C@H](C3CC3)[C@H]2C2CC2)n1 ZINC001607136619 1164116358 /nfs/dbraw/zinc/11/63/58/1164116358.db2.gz MBOHUDIWAILXRS-ZWNOBZJWSA-N -1 1 283.339 1.282 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2C[C@H](C3CC3)[C@H]2C2CC2)n1 ZINC001607136619 1164116360 /nfs/dbraw/zinc/11/63/60/1164116360.db2.gz MBOHUDIWAILXRS-ZWNOBZJWSA-N -1 1 283.339 1.282 20 0 CDADMM c1ncc(N2CCC3(CCC3)C2)nc1-c1nnn[n-]1 ZINC001607138792 1164120173 /nfs/dbraw/zinc/12/01/73/1164120173.db2.gz KMNQPNHNYZLOQM-UHFFFAOYSA-N -1 1 257.301 1.037 20 0 CDADMM c1ncc(N2CCC3(CCC3)C2)nc1-c1nn[n-]n1 ZINC001607138792 1164120181 /nfs/dbraw/zinc/12/01/81/1164120181.db2.gz KMNQPNHNYZLOQM-UHFFFAOYSA-N -1 1 257.301 1.037 20 0 CDADMM CSc1ncc(C(=O)NCCC(C)C)c(=O)[n-]1 ZINC001135482679 1164146460 /nfs/dbraw/zinc/14/64/60/1164146460.db2.gz FGTKTRUVKOZYJC-UHFFFAOYSA-N -1 1 255.343 1.680 20 0 CDADMM C[C@@H]1CN(CC(=O)Nc2cccc(F)c2)C[C@H]1CC(=O)[O-] ZINC001607436791 1164179874 /nfs/dbraw/zinc/17/98/74/1164179874.db2.gz BYIWTGTWTWPYAW-GHMZBOCLSA-N -1 1 294.326 1.807 20 0 CDADMM Cc1[nH]c(CN[C@@H](C)[C@@H](O)C(F)(F)F)cc1C(=O)[O-] ZINC001607497442 1164209020 /nfs/dbraw/zinc/20/90/20/1164209020.db2.gz XDWFFLKBNLKQJW-IMTBSYHQSA-N -1 1 280.246 1.423 20 0 CDADMM Cc1ccncc1CN(C)C[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC001607897774 1164326099 /nfs/dbraw/zinc/32/60/99/1164326099.db2.gz BYBSFHUXGFUFAC-GHMZBOCLSA-N -1 1 270.279 1.788 20 0 CDADMM CCOC[C@H](NCc1cc2ccncc2s1)C(=O)[O-] ZINC001771769643 1164327103 /nfs/dbraw/zinc/32/71/03/1164327103.db2.gz GHCPMHIAPVPTBK-NSHDSACASA-N -1 1 280.349 1.876 20 0 CDADMM COc1cc(C(=O)Nc2cnnn2C)cc(Cl)c1[O-] ZINC001191139189 1164380333 /nfs/dbraw/zinc/38/03/33/1164380333.db2.gz PWLNZAHDPIVNAT-UHFFFAOYSA-N -1 1 282.687 1.435 20 0 CDADMM Cn1c(CNc2cnccc2-n2cccn2)ccc1C(=O)[O-] ZINC001608090258 1164405160 /nfs/dbraw/zinc/40/51/60/1164405160.db2.gz RNYVDOSMWIQRGB-UHFFFAOYSA-N -1 1 297.318 1.916 20 0 CDADMM O=C([O-])c1csc(NC(=O)CCc2c[nH]nn2)c1 ZINC001608317328 1164488805 /nfs/dbraw/zinc/48/88/05/1164488805.db2.gz SJBSWFYOVXIBLD-UHFFFAOYSA-N -1 1 266.282 1.136 20 0 CDADMM O=C([O-])c1csc(NC(=O)CCc2cnn[nH]2)c1 ZINC001608317328 1164488808 /nfs/dbraw/zinc/48/88/08/1164488808.db2.gz SJBSWFYOVXIBLD-UHFFFAOYSA-N -1 1 266.282 1.136 20 0 CDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)C1=CCCCCC1 ZINC001608485383 1164525298 /nfs/dbraw/zinc/52/52/98/1164525298.db2.gz DMDJRUWUXKBATI-LBPRGKRZSA-N -1 1 277.324 1.412 20 0 CDADMM O=C([O-])Cn1cc(CN2CC[C@H]3CCCC[C@H]3C2)nn1 ZINC001608797084 1164640702 /nfs/dbraw/zinc/64/07/02/1164640702.db2.gz NPVFTGKPFSHWKA-NEPJUHHUSA-N -1 1 278.356 1.375 20 0 CDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001608818073 1164649535 /nfs/dbraw/zinc/64/95/35/1164649535.db2.gz AEXLTXXKWBYFEE-SYEHKZFSSA-N -1 1 291.351 1.348 20 0 CDADMM O=C([O-])c1coc(CNC(=O)c2cc(F)cc(F)c2O)c1 ZINC001608989183 1164709888 /nfs/dbraw/zinc/70/98/88/1164709888.db2.gz WQVCYJYOZKDUQJ-UHFFFAOYSA-N -1 1 297.213 1.892 20 0 CDADMM O=C([O-])c1csc(CN2CC[C@H](N3CCCC3=O)C2)c1 ZINC001608991697 1164712147 /nfs/dbraw/zinc/71/21/47/1164712147.db2.gz JGNUMHSZRUUJSJ-NSHDSACASA-N -1 1 294.376 1.643 20 0 CDADMM O=C([O-])c1csc(CN2CCC(c3nc[nH]n3)CC2)n1 ZINC001608991740 1164712287 /nfs/dbraw/zinc/71/22/87/1164712287.db2.gz KZEMPPRIMRPXFE-UHFFFAOYSA-N -1 1 293.352 1.339 20 0 CDADMM CC(C)(O)CON=c1ccc(Cl)c(-c2nnn[n-]2)[nH]1 ZINC001609085385 1164762992 /nfs/dbraw/zinc/76/29/92/1164762992.db2.gz UELGSFGFKAPYGD-UHFFFAOYSA-N -1 1 284.707 1.030 20 0 CDADMM CC(C)[C@](C)(CO)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609086963 1164763424 /nfs/dbraw/zinc/76/34/24/1164763424.db2.gz VXQSIIGIRRDGEP-LBPRGKRZSA-N -1 1 295.368 1.065 20 0 CDADMM C[C@H]1CC[C@@H](COC(=O)c2csc(-c3nnn[n-]3)c2)O1 ZINC001609160457 1164805425 /nfs/dbraw/zinc/80/54/25/1164805425.db2.gz FOITXNVGWSGDHK-CBAPKCEASA-N -1 1 294.336 1.653 20 0 CDADMM C[C@H]1CC[C@@H](COC(=O)c2csc(-c3nn[n-]n3)c2)O1 ZINC001609160457 1164805431 /nfs/dbraw/zinc/80/54/31/1164805431.db2.gz FOITXNVGWSGDHK-CBAPKCEASA-N -1 1 294.336 1.653 20 0 CDADMM C[C@H]1CCCC[C@@H]1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609165460 1164810165 /nfs/dbraw/zinc/81/01/65/1164810165.db2.gz NPEYVLSFUCNOEW-ONGXEEELSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@H]1CCCC[C@@H]1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609165460 1164810170 /nfs/dbraw/zinc/81/01/70/1164810170.db2.gz NPEYVLSFUCNOEW-ONGXEEELSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@H]1CCC[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001609163490 1164811353 /nfs/dbraw/zinc/81/13/53/1164811353.db2.gz AOWFWSZOZZENOG-DTWKUNHWSA-N -1 1 259.317 1.647 20 0 CDADMM 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-1 1 271.309 1.674 20 0 CDADMM CC(=Cc1nc(-c2nn[n-]n2)cs1)c1cnccn1 ZINC001588772788 1173106077 /nfs/dbraw/zinc/10/60/77/1173106077.db2.gz RPTSHLUDIRLPOZ-QPJJXVBHSA-N -1 1 271.309 1.674 20 0 CDADMM CC(C)(C)OC(=O)NOCc1ccc(-c2nn[n-]n2)s1 ZINC001589184192 1173128141 /nfs/dbraw/zinc/12/81/41/1173128141.db2.gz RXUHUFMINWDLDE-UHFFFAOYSA-N -1 1 297.340 1.885 20 0 CDADMM CC(C)SCCNc1cc(-c2nnn[n-]2)ncn1 ZINC001589761439 1173175979 /nfs/dbraw/zinc/17/59/79/1173175979.db2.gz QPBQWUHDEUCAHL-UHFFFAOYSA-N -1 1 265.346 1.210 20 0 CDADMM CC(C)SCCNc1cc(-c2nn[n-]n2)ncn1 ZINC001589761439 1173175985 /nfs/dbraw/zinc/17/59/85/1173175985.db2.gz QPBQWUHDEUCAHL-UHFFFAOYSA-N -1 1 265.346 1.210 20 0 CDADMM C[C@H](CNc1cccnc1-c1nnn[n-]1)c1nccs1 ZINC001589879795 1173192941 /nfs/dbraw/zinc/19/29/41/1173192941.db2.gz UHEWHQOELPWNDU-MRVPVSSYSA-N -1 1 287.352 1.934 20 0 CDADMM C[C@H](CNc1cccnc1-c1nn[n-]n1)c1nccs1 ZINC001589879795 1173192949 /nfs/dbraw/zinc/19/29/49/1173192949.db2.gz UHEWHQOELPWNDU-MRVPVSSYSA-N -1 1 287.352 1.934 20 0 CDADMM C[C@@H](COC(=O)c1ccc(-c2nnn[n-]2)nc1)CC(F)F ZINC001589883103 1173195130 /nfs/dbraw/zinc/19/51/30/1173195130.db2.gz CHCFUHRPMXHTFH-SSDOTTSWSA-N -1 1 297.265 1.710 20 0 CDADMM C[C@@H](COC(=O)c1ccc(-c2nn[n-]n2)nc1)CC(F)F ZINC001589883103 1173195134 /nfs/dbraw/zinc/19/51/34/1173195134.db2.gz CHCFUHRPMXHTFH-SSDOTTSWSA-N -1 1 297.265 1.710 20 0 CDADMM CC1(C)CC(NC(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001590083738 1173247942 /nfs/dbraw/zinc/24/79/42/1173247942.db2.gz XRESWJIKWMTCFZ-UHFFFAOYSA-N -1 1 277.353 1.847 20 0 CDADMM CC1(C)CC(NC(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001590083738 1173247947 /nfs/dbraw/zinc/24/79/47/1173247947.db2.gz XRESWJIKWMTCFZ-UHFFFAOYSA-N -1 1 277.353 1.847 20 0 CDADMM CC1(C)CC(CC(=O)Nc2c[nH]nc2-c2nn[n-]n2)C1 ZINC001590081833 1173248669 /nfs/dbraw/zinc/24/86/69/1173248669.db2.gz KXOFOWNXMNPMFP-UHFFFAOYSA-N -1 1 275.316 1.355 20 0 CDADMM CC1(C)CC[C@@H](NC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590090804 1173254462 /nfs/dbraw/zinc/25/44/62/1173254462.db2.gz RYPCZMZNYBSQNA-SECBINFHSA-N -1 1 275.312 1.768 20 0 CDADMM C[C@@]1(COC(=O)c2ccc(-c3nnn[n-]3)s2)C[C@H]1F ZINC001590135187 1173270350 /nfs/dbraw/zinc/27/03/50/1173270350.db2.gz BHXJMEHWAKFZFE-KCJUWKMLSA-N -1 1 282.300 1.833 20 0 CDADMM C[C@@]1(COC(=O)c2ccc(-c3nn[n-]n3)s2)C[C@H]1F ZINC001590135187 1173270351 /nfs/dbraw/zinc/27/03/51/1173270351.db2.gz BHXJMEHWAKFZFE-KCJUWKMLSA-N -1 1 282.300 1.833 20 0 CDADMM C[C@H]1CC[C@@H](C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001590221639 1173300452 /nfs/dbraw/zinc/30/04/52/1173300452.db2.gz BIQACYDTJDHPBR-JGVFFNPUSA-N -1 1 292.368 1.376 20 0 CDADMM C[C@H]1CC[C@@H](C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001590221639 1173300459 /nfs/dbraw/zinc/30/04/59/1173300459.db2.gz BIQACYDTJDHPBR-JGVFFNPUSA-N -1 1 292.368 1.376 20 0 CDADMM C[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590249225 1173315937 /nfs/dbraw/zinc/31/59/37/1173315937.db2.gz PSRXAKFFVBDKFM-MWLCHTKSSA-N -1 1 286.339 1.109 20 0 CDADMM C[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590249225 1173315944 /nfs/dbraw/zinc/31/59/44/1173315944.db2.gz PSRXAKFFVBDKFM-MWLCHTKSSA-N -1 1 286.339 1.109 20 0 CDADMM C[C@H]1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)C[C@H]1F ZINC001590270308 1173332390 /nfs/dbraw/zinc/33/23/90/1173332390.db2.gz TWUZCYIHPBGLHJ-IONNQARKSA-N -1 1 279.275 1.280 20 0 CDADMM C[C@H]1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)C[C@H]1F ZINC001590270308 1173332394 /nfs/dbraw/zinc/33/23/94/1173332394.db2.gz TWUZCYIHPBGLHJ-IONNQARKSA-N -1 1 279.275 1.280 20 0 CDADMM C[C@@H]1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)CCS1 ZINC001590270210 1173334100 /nfs/dbraw/zinc/33/41/00/1173334100.db2.gz PQQOXMRYXWJYIR-MRVPVSSYSA-N -1 1 293.352 1.427 20 0 CDADMM C[C@@H]1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)CCS1 ZINC001590270210 1173334105 /nfs/dbraw/zinc/33/41/05/1173334105.db2.gz PQQOXMRYXWJYIR-MRVPVSSYSA-N -1 1 293.352 1.427 20 0 CDADMM C[C@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC001590301089 1173340671 /nfs/dbraw/zinc/34/06/71/1173340671.db2.gz QMVQHQCRIOSTND-MRVPVSSYSA-N -1 1 275.312 1.720 20 0 CDADMM C[C@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001590301089 1173340679 /nfs/dbraw/zinc/34/06/79/1173340679.db2.gz QMVQHQCRIOSTND-MRVPVSSYSA-N -1 1 275.312 1.720 20 0 CDADMM C[C@@H]1COCC[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC001590325427 1173359419 /nfs/dbraw/zinc/35/94/19/1173359419.db2.gz SLJLDTOZBNGZPO-RKDXNWHRSA-N -1 1 260.301 1.099 20 0 CDADMM C[C@@H]1COCC[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC001590325427 1173359429 /nfs/dbraw/zinc/35/94/29/1173359429.db2.gz SLJLDTOZBNGZPO-RKDXNWHRSA-N -1 1 260.301 1.099 20 0 CDADMM C/C=C/COC(=O)c1sccc1-c1nn[n-]n1 ZINC001590354450 1173370107 /nfs/dbraw/zinc/37/01/07/1173370107.db2.gz LTVDXCAEZLSGTP-NSCUHMNNSA-N -1 1 250.283 1.661 20 0 CDADMM CC[C@H]1[C@@H](C)CCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590503253 1173440712 /nfs/dbraw/zinc/44/07/12/1173440712.db2.gz YQHWPWNRFWGHLJ-KWQFWETISA-N -1 1 273.344 1.590 20 0 CDADMM CC[C@H]1[C@@H](C)CCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590503253 1173440716 /nfs/dbraw/zinc/44/07/16/1173440716.db2.gz YQHWPWNRFWGHLJ-KWQFWETISA-N -1 1 273.344 1.590 20 0 CDADMM CC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H]1C ZINC001590514235 1173442834 /nfs/dbraw/zinc/44/28/34/1173442834.db2.gz GOFGWUGBZLPUFS-UWVGGRQHSA-N -1 1 286.339 1.522 20 0 CDADMM CC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H]1C ZINC001590514235 1173442839 /nfs/dbraw/zinc/44/28/39/1173442839.db2.gz GOFGWUGBZLPUFS-UWVGGRQHSA-N -1 1 286.339 1.522 20 0 CDADMM CC[C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc(C)n2)C1 ZINC001590512078 1173443061 /nfs/dbraw/zinc/44/30/61/1173443061.db2.gz CNHZSMTZFJXFLA-SNVBAGLBSA-N -1 1 273.344 1.592 20 0 CDADMM CC[C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc(C)n2)C1 ZINC001590512078 1173443065 /nfs/dbraw/zinc/44/30/65/1173443065.db2.gz CNHZSMTZFJXFLA-SNVBAGLBSA-N -1 1 273.344 1.592 20 0 CDADMM CC[C@@H]1CCC[C@@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590508989 1173443408 /nfs/dbraw/zinc/44/34/08/1173443408.db2.gz TYQZQIPSMRMLMS-SFYZADRCSA-N -1 1 275.316 1.355 20 0 CDADMM CC[C@@H]1CCC[C@@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590508989 1173443410 /nfs/dbraw/zinc/44/34/10/1173443410.db2.gz TYQZQIPSMRMLMS-SFYZADRCSA-N -1 1 275.316 1.355 20 0 CDADMM CC[C@H]1COC(C)(C)CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590524379 1173450972 /nfs/dbraw/zinc/45/09/72/1173450972.db2.gz QQBSMJOGVWSDSQ-VIFPVBQESA-N -1 1 289.343 1.051 20 0 CDADMM CC[C@H]1COC(C)(C)CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590524379 1173450977 /nfs/dbraw/zinc/45/09/77/1173450977.db2.gz QQBSMJOGVWSDSQ-VIFPVBQESA-N -1 1 289.343 1.051 20 0 CDADMM CCC[C@@](C)(O)CNc1snc(C)c1-c1nn[n-]n1 ZINC001590544769 1173458327 /nfs/dbraw/zinc/45/83/27/1173458327.db2.gz ZTHUUPAYSYCZGQ-LLVKDONJSA-N -1 1 282.373 1.595 20 0 CDADMM CCCCN(C)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001590598793 1173472909 /nfs/dbraw/zinc/47/29/09/1173472909.db2.gz PBLWTCPFJUUPKH-UHFFFAOYSA-N -1 1 295.372 1.895 20 0 CDADMM CCCCN(C)C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590598793 1173472912 /nfs/dbraw/zinc/47/29/12/1173472912.db2.gz PBLWTCPFJUUPKH-UHFFFAOYSA-N -1 1 295.372 1.895 20 0 CDADMM CCCCNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590605870 1173475645 /nfs/dbraw/zinc/47/56/45/1173475645.db2.gz PTXKUBXOQGHGKF-UHFFFAOYSA-N -1 1 259.317 1.746 20 0 CDADMM CCCCNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590605870 1173475654 /nfs/dbraw/zinc/47/56/54/1173475654.db2.gz PTXKUBXOQGHGKF-UHFFFAOYSA-N -1 1 259.317 1.746 20 0 CDADMM CCCc1ncc(CNc2ncncc2-c2nn[n-]n2)o1 ZINC001590661782 1173483170 /nfs/dbraw/zinc/48/31/70/1173483170.db2.gz ZKBKBFPJDPWZQI-UHFFFAOYSA-N -1 1 286.299 1.209 20 0 CDADMM CCN(C(=O)c1cccc(-c2nnn[n-]2)n1)C(C)C ZINC001590674937 1173486008 /nfs/dbraw/zinc/48/60/08/1173486008.db2.gz AXNNYUDGXJELOQ-UHFFFAOYSA-N -1 1 260.301 1.132 20 0 CDADMM CCN(C(=O)c1cccc(-c2nn[n-]n2)n1)C(C)C ZINC001590674937 1173486013 /nfs/dbraw/zinc/48/60/13/1173486013.db2.gz AXNNYUDGXJELOQ-UHFFFAOYSA-N -1 1 260.301 1.132 20 0 CDADMM CCN(CC(C)C)C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590681084 1173486679 /nfs/dbraw/zinc/48/66/79/1173486679.db2.gz PXNOBDDTLLMGEC-UHFFFAOYSA-N -1 1 277.328 1.886 20 0 CDADMM CCN(CC(C)C)C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590681084 1173486685 /nfs/dbraw/zinc/48/66/85/1173486685.db2.gz PXNOBDDTLLMGEC-UHFFFAOYSA-N -1 1 277.328 1.886 20 0 CDADMM CCOCCOCCNc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001590816175 1173518393 /nfs/dbraw/zinc/51/83/93/1173518393.db2.gz DLGMQDZRJOXBRI-UHFFFAOYSA-N -1 1 292.343 1.035 20 0 CDADMM CCOCCOCCNc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001590816175 1173518398 /nfs/dbraw/zinc/51/83/98/1173518398.db2.gz DLGMQDZRJOXBRI-UHFFFAOYSA-N -1 1 292.343 1.035 20 0 CDADMM CCc1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)n(C)n1 ZINC001590883431 1173537388 /nfs/dbraw/zinc/53/73/88/1173537388.db2.gz BDLVTZDIAVLHIY-UHFFFAOYSA-N -1 1 287.283 1.008 20 0 CDADMM CCc1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)n(C)n1 ZINC001590883431 1173537390 /nfs/dbraw/zinc/53/73/90/1173537390.db2.gz BDLVTZDIAVLHIY-UHFFFAOYSA-N -1 1 287.283 1.008 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCCCO2)n1 ZINC001590907124 1173538543 /nfs/dbraw/zinc/53/85/43/1173538543.db2.gz GALGVWVMKVIEMX-UHFFFAOYSA-N -1 1 275.316 1.141 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCCCO2)n1 ZINC001590907124 1173538546 /nfs/dbraw/zinc/53/85/46/1173538546.db2.gz GALGVWVMKVIEMX-UHFFFAOYSA-N -1 1 275.316 1.141 20 0 CDADMM CCc1nc(NCc2ncoc2C)cc(-c2nnn[n-]2)n1 ZINC001590922718 1173544814 /nfs/dbraw/zinc/54/48/14/1173544814.db2.gz MBUHVAJNDFDQRR-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CCc1nc(NCc2ncoc2C)cc(-c2nn[n-]n2)n1 ZINC001590922718 1173544818 /nfs/dbraw/zinc/54/48/18/1173544818.db2.gz MBUHVAJNDFDQRR-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CCn1ccnc1[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001590961905 1173553046 /nfs/dbraw/zinc/55/30/46/1173553046.db2.gz FXXVUNMGRISECZ-MRVPVSSYSA-N -1 1 285.315 1.046 20 0 CDADMM CCn1ccnc1[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001590961905 1173553050 /nfs/dbraw/zinc/55/30/50/1173553050.db2.gz FXXVUNMGRISECZ-MRVPVSSYSA-N -1 1 285.315 1.046 20 0 CDADMM CN(C(=O)c1coc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001590998608 1173560441 /nfs/dbraw/zinc/56/04/41/1173560441.db2.gz SECHNKFRXNWRRX-UHFFFAOYSA-N -1 1 269.264 1.736 20 0 CDADMM CN(C(=O)c1coc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001590998608 1173560446 /nfs/dbraw/zinc/56/04/46/1173560446.db2.gz SECHNKFRXNWRRX-UHFFFAOYSA-N -1 1 269.264 1.736 20 0 CDADMM CN(Cc1ccoc1)c1cccnc1-c1nnn[n-]1 ZINC001591150110 1173582675 /nfs/dbraw/zinc/58/26/75/1173582675.db2.gz OHCSOFGDLDQAEH-UHFFFAOYSA-N -1 1 256.269 1.491 20 0 CDADMM CN(Cc1ccoc1)c1cccnc1-c1nn[n-]n1 ZINC001591150110 1173582679 /nfs/dbraw/zinc/58/26/79/1173582679.db2.gz OHCSOFGDLDQAEH-UHFFFAOYSA-N -1 1 256.269 1.491 20 0 CDADMM CNC(=O)CCSCc1ccc(-c2nn[n-]n2)s1 ZINC001591208413 1173588524 /nfs/dbraw/zinc/58/85/24/1173588524.db2.gz LNFONIKLPVJEQJ-UHFFFAOYSA-N -1 1 283.382 1.298 20 0 CDADMM CO[C@H](C)c1cccc(Nc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001591324590 1173612527 /nfs/dbraw/zinc/61/25/27/1173612527.db2.gz ASPZRIYPDUMNJY-SECBINFHSA-N -1 1 297.322 1.530 20 0 CDADMM CO[C@H](CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001591334687 1173615788 /nfs/dbraw/zinc/61/57/88/1173615788.db2.gz LEEPQAPHLJSIRR-MRVPVSSYSA-N -1 1 280.357 1.469 20 0 CDADMM COCC1=CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001591391886 1173641453 /nfs/dbraw/zinc/64/14/53/1173641453.db2.gz FHPLZCGWSAWMHF-UHFFFAOYSA-N -1 1 272.312 1.045 20 0 CDADMM COCC1=CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001591391886 1173641456 /nfs/dbraw/zinc/64/14/56/1173641456.db2.gz FHPLZCGWSAWMHF-UHFFFAOYSA-N -1 1 272.312 1.045 20 0 CDADMM CON(C(=O)c1ccc(-c2nnn[n-]2)s1)C1CCCC1 ZINC001591463676 1173654524 /nfs/dbraw/zinc/65/45/24/1173654524.db2.gz BPXMJMAOXZHKSV-UHFFFAOYSA-N -1 1 293.352 1.874 20 0 CDADMM CON(C(=O)c1ccc(-c2nn[n-]n2)s1)C1CCCC1 ZINC001591463676 1173654528 /nfs/dbraw/zinc/65/45/28/1173654528.db2.gz BPXMJMAOXZHKSV-UHFFFAOYSA-N -1 1 293.352 1.874 20 0 CDADMM CO[C@H]1C[C@@H](Cn2c(C)c(C)nc2-c2nnn[n-]2)C1 ZINC001591472836 1173658480 /nfs/dbraw/zinc/65/84/80/1173658480.db2.gz HOQJIRNXYIDBBY-AOOOYVTPSA-N -1 1 262.317 1.105 20 0 CDADMM CO[C@H]1C[C@@H](Cn2c(C)c(C)nc2-c2nn[n-]n2)C1 ZINC001591472836 1173658488 /nfs/dbraw/zinc/65/84/88/1173658488.db2.gz HOQJIRNXYIDBBY-AOOOYVTPSA-N -1 1 262.317 1.105 20 0 CDADMM COc1ccc(C=O)cc1Oc1nnccc1-c1nnn[n-]1 ZINC001591582316 1173671841 /nfs/dbraw/zinc/67/18/41/1173671841.db2.gz ISZFVAWILBTKEN-UHFFFAOYSA-N -1 1 298.262 1.270 20 0 CDADMM COc1ccc(C=O)cc1Oc1nnccc1-c1nn[n-]n1 ZINC001591582316 1173671846 /nfs/dbraw/zinc/67/18/46/1173671846.db2.gz ISZFVAWILBTKEN-UHFFFAOYSA-N -1 1 298.262 1.270 20 0 CDADMM COc1nc(-c2nn[n-]n2)ncc1-c1cnc(C2CC2)o1 ZINC001591658366 1173678073 /nfs/dbraw/zinc/67/80/73/1173678073.db2.gz VSZQFGGPDUMRPX-UHFFFAOYSA-N -1 1 285.267 1.198 20 0 CDADMM COc1ncc(NC(=O)c2ccco2)cc1-c1nn[n-]n1 ZINC001591667653 1173678521 /nfs/dbraw/zinc/67/85/21/1173678521.db2.gz BGIBOJOYWDQCAE-UHFFFAOYSA-N -1 1 286.251 1.116 20 0 CDADMM C[Si](C)(C)c1ccc(Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001591779308 1173701656 /nfs/dbraw/zinc/70/16/56/1173701656.db2.gz FRDIISLCZZFIPW-UHFFFAOYSA-N -1 1 299.414 1.052 20 0 CDADMM Cc1c(-c2nnn[n-]2)c(NC(=O)Cc2ccccc2)nn1C ZINC001591796026 1173706565 /nfs/dbraw/zinc/70/65/65/1173706565.db2.gz AJSQDZHNLLURPA-UHFFFAOYSA-N -1 1 297.322 1.090 20 0 CDADMM Cc1c(-c2nn[n-]n2)c(NC(=O)Cc2ccccc2)nn1C ZINC001591796026 1173706567 /nfs/dbraw/zinc/70/65/67/1173706567.db2.gz AJSQDZHNLLURPA-UHFFFAOYSA-N -1 1 297.322 1.090 20 0 CDADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@@H](C)C(C)C)nn1C ZINC001591797693 1173706683 /nfs/dbraw/zinc/70/66/83/1173706683.db2.gz ANBLZKVXKYPVRZ-ZETCQYMHSA-N -1 1 277.332 1.139 20 0 CDADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@@H](C)C(C)C)nn1C ZINC001591797693 1173706686 /nfs/dbraw/zinc/70/66/86/1173706686.db2.gz ANBLZKVXKYPVRZ-ZETCQYMHSA-N -1 1 277.332 1.139 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCC[C@H](C)C2)n1 ZINC001591893044 1173742094 /nfs/dbraw/zinc/74/20/94/1173742094.db2.gz XNUZCHUBPTZILY-WPRPVWTQSA-N -1 1 273.344 1.956 20 0 CDADMM Cc1cc(N[C@H]2COC3(CCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001592039476 1173781736 /nfs/dbraw/zinc/78/17/36/1173781736.db2.gz JVLCRJLCZZYVJT-LLVKDONJSA-N -1 1 286.339 1.116 20 0 CDADMM Cc1cc(N[C@H]2COC3(CCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001592039476 1173781739 /nfs/dbraw/zinc/78/17/39/1173781739.db2.gz JVLCRJLCZZYVJT-LLVKDONJSA-N -1 1 286.339 1.116 20 0 CDADMM Cc1cc(NC[C@@H]2CCCC[C@H]2O)cc(-c2nnn[n-]2)n1 ZINC001592051658 1173786440 /nfs/dbraw/zinc/78/64/40/1173786440.db2.gz ABCWHXYQUVWMHO-GXFFZTMASA-N -1 1 288.355 1.533 20 0 CDADMM Cc1cc(NC[C@@H]2CCCC[C@H]2O)cc(-c2nn[n-]n2)n1 ZINC001592051658 1173786442 /nfs/dbraw/zinc/78/64/42/1173786442.db2.gz ABCWHXYQUVWMHO-GXFFZTMASA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC001592116091 1173804219 /nfs/dbraw/zinc/80/42/19/1173804219.db2.gz KZPYUVKWXZOJFY-UHFFFAOYSA-N -1 1 284.279 1.440 20 0 CDADMM Cc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC001592116091 1173804228 /nfs/dbraw/zinc/80/42/28/1173804228.db2.gz KZPYUVKWXZOJFY-UHFFFAOYSA-N -1 1 284.279 1.440 20 0 CDADMM Cc1ccc(N2C[C@H](C)[C@@](C)(CO)C2)c(-c2nnn[n-]2)n1 ZINC001592174382 1173824361 /nfs/dbraw/zinc/82/43/61/1173824361.db2.gz CGTFAHOHVFWHDH-LKFCYVNXSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(N2C[C@H](C)[C@@](C)(CO)C2)c(-c2nn[n-]n2)n1 ZINC001592174382 1173824366 /nfs/dbraw/zinc/82/43/66/1173824366.db2.gz CGTFAHOHVFWHDH-LKFCYVNXSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(N[C@@H]2CSC[C@H]2C)nc1-c1nnn[n-]1 ZINC001592184462 1173828871 /nfs/dbraw/zinc/82/88/71/1173828871.db2.gz SGVDSQHKECWRMD-RKDXNWHRSA-N -1 1 276.369 1.734 20 0 CDADMM Cc1ccc(N[C@@H]2CSC[C@H]2C)nc1-c1nn[n-]n1 ZINC001592184462 1173828873 /nfs/dbraw/zinc/82/88/73/1173828873.db2.gz SGVDSQHKECWRMD-RKDXNWHRSA-N -1 1 276.369 1.734 20 0 CDADMM Cc1ccc(NC[C@H]2CCCO2)c(-c2nnn[n-]2)n1 ZINC001592184976 1173830506 /nfs/dbraw/zinc/83/05/06/1173830506.db2.gz ORVZAECYQFDKIF-SECBINFHSA-N -1 1 260.301 1.161 20 0 CDADMM Cc1ccc(NC[C@H]2CCCO2)c(-c2nn[n-]n2)n1 ZINC001592184976 1173830509 /nfs/dbraw/zinc/83/05/09/1173830509.db2.gz ORVZAECYQFDKIF-SECBINFHSA-N -1 1 260.301 1.161 20 0 CDADMM Cc1ccc(N[C@@H]2CCCOC2)nc1-c1nnn[n-]1 ZINC001592185402 1173830869 /nfs/dbraw/zinc/83/08/69/1173830869.db2.gz UMMXFUFTVCFQEY-SECBINFHSA-N -1 1 260.301 1.161 20 0 CDADMM Cc1ccc(N[C@@H]2CCCOC2)nc1-c1nn[n-]n1 ZINC001592185402 1173830873 /nfs/dbraw/zinc/83/08/73/1173830873.db2.gz UMMXFUFTVCFQEY-SECBINFHSA-N -1 1 260.301 1.161 20 0 CDADMM Cc1cn(C)nc1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001592287201 1173846575 /nfs/dbraw/zinc/84/65/75/1173846575.db2.gz AARPYPZHLLETAP-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1cn(C)nc1NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001592287201 1173846580 /nfs/dbraw/zinc/84/65/80/1173846580.db2.gz AARPYPZHLLETAP-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1cnc(CNc2snc(C)c2-c2nn[n-]n2)o1 ZINC001592294012 1173847967 /nfs/dbraw/zinc/84/79/67/1173847967.db2.gz QMFUJNHHVJJIFP-UHFFFAOYSA-N -1 1 277.313 1.540 20 0 CDADMM Cc1csc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001592314824 1173853072 /nfs/dbraw/zinc/85/30/72/1173853072.db2.gz OZDYTIGJUMRUFF-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM Cc1csc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001592314824 1173853077 /nfs/dbraw/zinc/85/30/77/1173853077.db2.gz OZDYTIGJUMRUFF-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM Cc1csc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001592320960 1173854323 /nfs/dbraw/zinc/85/43/23/1173854323.db2.gz LEUDPMOXIDDUFE-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1csc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001592320960 1173854330 /nfs/dbraw/zinc/85/43/30/1173854330.db2.gz LEUDPMOXIDDUFE-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)c1-c1nn[n-]n1 ZINC001592327201 1173855512 /nfs/dbraw/zinc/85/55/12/1173855512.db2.gz FRAOPCZIAQCCSK-VCGXYPBASA-N -1 1 287.327 1.129 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2C[C@H](C)CC(C)(C)C2)n1 ZINC001592337680 1173858618 /nfs/dbraw/zinc/85/86/18/1173858618.db2.gz NNPIIONFOCIUCJ-SECBINFHSA-N -1 1 287.371 1.838 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2C[C@H](C)CC(C)(C)C2)n1 ZINC001592337680 1173858623 /nfs/dbraw/zinc/85/86/23/1173858623.db2.gz NNPIIONFOCIUCJ-SECBINFHSA-N -1 1 287.371 1.838 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@@H]2CCO[C@@H]2C)c1C ZINC001592339550 1173862536 /nfs/dbraw/zinc/86/25/36/1173862536.db2.gz OWAUSFQJBXYRMM-ZJUUUORDSA-N -1 1 262.317 1.105 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@@H]2CCO[C@@H]2C)c1C ZINC001592339550 1173862552 /nfs/dbraw/zinc/86/25/52/1173862552.db2.gz OWAUSFQJBXYRMM-ZJUUUORDSA-N -1 1 262.317 1.105 20 0 CDADMM Cc1ncoc1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001592422996 1173887223 /nfs/dbraw/zinc/88/72/23/1173887223.db2.gz JUNJUXBTBBTFDI-UHFFFAOYSA-N -1 1 291.702 1.824 20 0 CDADMM Cc1ncoc1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001592422996 1173887226 /nfs/dbraw/zinc/88/72/26/1173887226.db2.gz JUNJUXBTBBTFDI-UHFFFAOYSA-N -1 1 291.702 1.824 20 0 CDADMM Cc1noc(C)c1N(C)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001592459612 1173896022 /nfs/dbraw/zinc/89/60/22/1173896022.db2.gz LYUCXZWIGQGHCT-UHFFFAOYSA-N -1 1 299.294 1.143 20 0 CDADMM Cc1noc(C)c1N(C)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001592459612 1173896026 /nfs/dbraw/zinc/89/60/26/1173896026.db2.gz LYUCXZWIGQGHCT-UHFFFAOYSA-N -1 1 299.294 1.143 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC(C)(C)C1CC1 ZINC001592503418 1173907085 /nfs/dbraw/zinc/90/70/85/1173907085.db2.gz UGOCGQURGOOIML-UHFFFAOYSA-N -1 1 289.339 1.934 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC(C)(C)C1CC1 ZINC001592503418 1173907090 /nfs/dbraw/zinc/90/70/90/1173907090.db2.gz UGOCGQURGOOIML-UHFFFAOYSA-N -1 1 289.339 1.934 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CS[C@H](C)C1 ZINC001592503899 1173908287 /nfs/dbraw/zinc/90/82/87/1173908287.db2.gz ZOZFQNKDWCOFHH-HTRCEHHLSA-N -1 1 293.352 1.392 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CS[C@H](C)C1 ZINC001592503899 1173908291 /nfs/dbraw/zinc/90/82/91/1173908291.db2.gz ZOZFQNKDWCOFHH-HTRCEHHLSA-N -1 1 293.352 1.392 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@H]1CCCOC1 ZINC001592504196 1173908721 /nfs/dbraw/zinc/90/87/21/1173908721.db2.gz YJWMQUILKOFXPI-VIFPVBQESA-N -1 1 292.295 1.352 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@H]1CCCOC1 ZINC001592504196 1173908728 /nfs/dbraw/zinc/90/87/28/1173908728.db2.gz YJWMQUILKOFXPI-VIFPVBQESA-N -1 1 292.295 1.352 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC(=O)[C@H]1C[C@H]1C ZINC001592502832 1173909188 /nfs/dbraw/zinc/90/91/88/1173909188.db2.gz XUSDKPQXTBLFTA-SVRRBLITSA-N -1 1 290.279 1.150 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC(=O)[C@H]1C[C@H]1C ZINC001592502832 1173909192 /nfs/dbraw/zinc/90/91/92/1173909192.db2.gz XUSDKPQXTBLFTA-SVRRBLITSA-N -1 1 290.279 1.150 20 0 CDADMM Cn1nc(CNc2cccc(-c3nnn[n-]3)n2)cc1C1CC1 ZINC001592595949 1173924591 /nfs/dbraw/zinc/92/45/91/1173924591.db2.gz VUWZNKUIGHSSJA-UHFFFAOYSA-N -1 1 296.338 1.485 20 0 CDADMM Cn1nc(CNc2cccc(-c3nn[n-]n3)n2)cc1C1CC1 ZINC001592595949 1173924601 /nfs/dbraw/zinc/92/46/01/1173924601.db2.gz VUWZNKUIGHSSJA-UHFFFAOYSA-N -1 1 296.338 1.485 20 0 CDADMM F[C@@H]1CCC[C@@H](Nc2ncncc2-c2nn[n-]n2)C1 ZINC001592631874 1173940478 /nfs/dbraw/zinc/94/04/78/1173940478.db2.gz YXPHFMFAKAFZCE-HTQZYQBOSA-N -1 1 263.280 1.349 20 0 CDADMM F[C@H]1CCC[C@H](Nc2ncncc2-c2nn[n-]n2)C1 ZINC001592631877 1173941406 /nfs/dbraw/zinc/94/14/06/1173941406.db2.gz YXPHFMFAKAFZCE-YUMQZZPRSA-N -1 1 263.280 1.349 20 0 CDADMM O=C(CCc1ccccc1)Cn1ccnc1-c1nnn[n-]1 ZINC001592850772 1173997355 /nfs/dbraw/zinc/99/73/55/1173997355.db2.gz IZOJVTZXCGPAHO-UHFFFAOYSA-N -1 1 282.307 1.265 20 0 CDADMM O=C(CCc1ccccc1)Cn1ccnc1-c1nn[n-]n1 ZINC001592850772 1173997358 /nfs/dbraw/zinc/99/73/58/1173997358.db2.gz IZOJVTZXCGPAHO-UHFFFAOYSA-N -1 1 282.307 1.265 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@H]1CC=CCC1 ZINC001592914944 1174003201 /nfs/dbraw/zinc/00/32/01/1174003201.db2.gz INVAMTLNEWCFTH-NSHDSACASA-N -1 1 284.323 1.029 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H]1CC=CCC1 ZINC001592914944 1174003211 /nfs/dbraw/zinc/00/32/11/1174003211.db2.gz INVAMTLNEWCFTH-NSHDSACASA-N -1 1 284.323 1.029 20 0 CDADMM O=C(Cn1cc(-c2nn[n-]n2)ccc1=O)C1CCCCC1 ZINC001592936550 1174006643 /nfs/dbraw/zinc/00/66/43/1174006643.db2.gz PBMLDIKVAFDJSQ-UHFFFAOYSA-N -1 1 287.323 1.178 20 0 CDADMM O=C(N[C@@H]1CCCOCC1)c1ccsc1-c1nnn[n-]1 ZINC001592983829 1174011801 /nfs/dbraw/zinc/01/18/01/1174011801.db2.gz YUHYQSLXHLSKEW-MRVPVSSYSA-N -1 1 293.352 1.227 20 0 CDADMM O=C(N[C@@H]1CCCOCC1)c1ccsc1-c1nn[n-]n1 ZINC001592983829 1174011807 /nfs/dbraw/zinc/01/18/07/1174011807.db2.gz YUHYQSLXHLSKEW-MRVPVSSYSA-N -1 1 293.352 1.227 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1Cc2ccc(F)cc21 ZINC001593197894 1174031591 /nfs/dbraw/zinc/03/15/91/1174031591.db2.gz QMUWDTGDHKCPNI-SECBINFHSA-N -1 1 299.269 1.007 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1Cc2ccc(F)cc21 ZINC001593197894 1174031596 /nfs/dbraw/zinc/03/15/96/1174031596.db2.gz QMUWDTGDHKCPNI-SECBINFHSA-N -1 1 299.269 1.007 20 0 CDADMM O=C(OCC(F)(F)F)c1csc(-c2nnn[n-]2)c1 ZINC001593283010 1174049521 /nfs/dbraw/zinc/04/95/21/1174049521.db2.gz KUWYGYFZNSKSOR-UHFFFAOYSA-N -1 1 278.215 1.647 20 0 CDADMM O=C(OCC(F)(F)F)c1csc(-c2nn[n-]n2)c1 ZINC001593283010 1174049527 /nfs/dbraw/zinc/04/95/27/1174049527.db2.gz KUWYGYFZNSKSOR-UHFFFAOYSA-N -1 1 278.215 1.647 20 0 CDADMM O=C(OC[C@@H]1CCC1(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC001593283940 1174051222 /nfs/dbraw/zinc/05/12/22/1174051222.db2.gz FVMIVOGFXQUKBI-QMMMGPOBSA-N -1 1 295.249 1.464 20 0 CDADMM O=C(OC[C@@H]1CCC1(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC001593283940 1174051228 /nfs/dbraw/zinc/05/12/28/1174051228.db2.gz FVMIVOGFXQUKBI-QMMMGPOBSA-N -1 1 295.249 1.464 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1CC2(CC2)C1 ZINC001593302154 1174059842 /nfs/dbraw/zinc/05/98/42/1174059842.db2.gz QTYQATZQUJRFJA-UHFFFAOYSA-N -1 1 285.307 1.495 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1CC2(CC2)C1 ZINC001593302154 1174059846 /nfs/dbraw/zinc/05/98/46/1174059846.db2.gz QTYQATZQUJRFJA-UHFFFAOYSA-N -1 1 285.307 1.495 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001593301771 1174060467 /nfs/dbraw/zinc/06/04/67/1174060467.db2.gz DVZRYLMVHVJTKV-IJLUTSLNSA-N -1 1 299.334 1.741 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001593301771 1174060471 /nfs/dbraw/zinc/06/04/71/1174060471.db2.gz DVZRYLMVHVJTKV-IJLUTSLNSA-N -1 1 299.334 1.741 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC2(CCC2)CC1 ZINC001593336782 1174064746 /nfs/dbraw/zinc/06/47/46/1174064746.db2.gz AZOFPJOAAJVMTN-UHFFFAOYSA-N -1 1 298.350 1.668 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC2(CCC2)CC1 ZINC001593336782 1174064754 /nfs/dbraw/zinc/06/47/54/1174064754.db2.gz AZOFPJOAAJVMTN-UHFFFAOYSA-N -1 1 298.350 1.668 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@@H](C2CC2)C1 ZINC001593341311 1174067941 /nfs/dbraw/zinc/06/79/41/1174067941.db2.gz SRILAMRQXWZIJN-SNVBAGLBSA-N -1 1 287.323 1.722 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@@H](C2CC2)C1 ZINC001593341311 1174067945 /nfs/dbraw/zinc/06/79/45/1174067945.db2.gz SRILAMRQXWZIJN-SNVBAGLBSA-N -1 1 287.323 1.722 20 0 CDADMM O=c1c(-c2nn[n-]n2)cncn1Cc1ccc(Cl)s1 ZINC001593494162 1174086970 /nfs/dbraw/zinc/08/69/70/1174086970.db2.gz HOIHOYZKQRCADW-UHFFFAOYSA-N -1 1 294.727 1.187 20 0 CDADMM c1c(-c2nnn[n-]2)nc(C2CC2)nc1N1CCC[C@H]1C1CC1 ZINC001593543825 1174115403 /nfs/dbraw/zinc/11/54/03/1174115403.db2.gz GTKUJHFSAQEQMO-LBPRGKRZSA-N -1 1 297.366 1.913 20 0 CDADMM c1c(-c2nn[n-]n2)nc(C2CC2)nc1N1CCC[C@H]1C1CC1 ZINC001593543825 1174115408 /nfs/dbraw/zinc/11/54/08/1174115408.db2.gz GTKUJHFSAQEQMO-LBPRGKRZSA-N -1 1 297.366 1.913 20 0 CDADMM c1c[nH]c([C@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)n1 ZINC001593558850 1174133209 /nfs/dbraw/zinc/13/32/09/1174133209.db2.gz MYZUNCQHCXXDNQ-SECBINFHSA-N -1 1 297.326 1.111 20 0 CDADMM c1cc([C@@H]2C[C@H]2Nc2nccnc2-c2nnn[n-]2)cs1 ZINC001593584373 1174152250 /nfs/dbraw/zinc/15/22/50/1174152250.db2.gz MDYJWSFSXICFTI-DTWKUNHWSA-N -1 1 285.336 1.686 20 0 CDADMM c1cc([C@@H]2C[C@H]2Nc2nccnc2-c2nn[n-]n2)cs1 ZINC001593584373 1174152254 /nfs/dbraw/zinc/15/22/54/1174152254.db2.gz MDYJWSFSXICFTI-DTWKUNHWSA-N -1 1 285.336 1.686 20 0 CDADMM c1cn2ncc(-c3nn[n-]n3)c2n1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001593592946 1174160637 /nfs/dbraw/zinc/16/06/37/1174160637.db2.gz FYTSDVQWRKFWGP-MXWKQRLJSA-N -1 1 283.339 1.752 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1N[C@@H]1CCOC2(CCC2)C1 ZINC001593595678 1174164413 /nfs/dbraw/zinc/16/44/13/1174164413.db2.gz ULNFSCDAHPWLTJ-SECBINFHSA-N -1 1 287.327 1.170 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1N[C@@H]1CCOC2(CCC2)C1 ZINC001593595678 1174164418 /nfs/dbraw/zinc/16/44/18/1174164418.db2.gz ULNFSCDAHPWLTJ-SECBINFHSA-N -1 1 287.327 1.170 20 0 CDADMM CN(CCCC(=O)[O-])c1nc(N)nc2c1CCCC2 ZINC001593747707 1174170742 /nfs/dbraw/zinc/17/07/42/1174170742.db2.gz BMXYZUVPUYEEFC-UHFFFAOYSA-N -1 1 264.329 1.239 20 0 CDADMM COc1ccc(OC)c([N-]S(=O)(=O)C(C)C)c1 ZINC000112333613 1174226445 /nfs/dbraw/zinc/22/64/45/1174226445.db2.gz NNXILENOBJEYBF-UHFFFAOYSA-N -1 1 259.327 1.854 20 0 CDADMM Cc1cc(C)nc(CN2CCC([C@@H](O)C(=O)[O-])CC2)c1 ZINC001600182026 1174388529 /nfs/dbraw/zinc/38/85/29/1174388529.db2.gz WAWKCAPCQDWYLE-CQSZACIVSA-N -1 1 278.352 1.356 20 0 CDADMM Cc1cc(CN2CC3(C2)CCOCC3)[nH]c1C(=O)[O-] ZINC001600191983 1174396045 /nfs/dbraw/zinc/39/60/45/1174396045.db2.gz JZOSEWXPHJLIPQ-UHFFFAOYSA-N -1 1 264.325 1.634 20 0 CDADMM Cc1cc(CN2CCC(OCCCO)CC2)[nH]c1C(=O)[O-] ZINC001600193367 1174397620 /nfs/dbraw/zinc/39/76/20/1174397620.db2.gz OGJJDEOLHNQBAF-UHFFFAOYSA-N -1 1 296.367 1.385 20 0 CDADMM Cc1ccc(CN[C@H](C(=O)[O-])c2cccnc2)c(=O)n1C ZINC001600418773 1174470681 /nfs/dbraw/zinc/47/06/81/1174470681.db2.gz HBARUCZCGYSEJC-ZDUSSCGKSA-N -1 1 287.319 1.004 20 0 CDADMM Cc1cccc2nc(CN[C@@]3(CC(=O)[O-])CCOC3)cn21 ZINC001600561001 1174505771 /nfs/dbraw/zinc/50/57/71/1174505771.db2.gz WIDMSEJBVLDJDV-OAHLLOKOSA-N -1 1 289.335 1.366 20 0 CDADMM Cc1oc(CN2CCc3nccc(N)c3C2)cc1C(=O)[O-] ZINC001600845535 1174639170 /nfs/dbraw/zinc/63/91/70/1174639170.db2.gz DGRXDTMKAXAJQD-UHFFFAOYSA-N -1 1 287.319 1.822 20 0 CDADMM Cn1cc(CN2CCCC[C@@H]2C2OCCO2)cc1C(=O)[O-] ZINC001600951276 1174673992 /nfs/dbraw/zinc/67/39/92/1174673992.db2.gz GXTGZPJAKPBNBA-GFCCVEGCSA-N -1 1 294.351 1.451 20 0 CDADMM Cn1nccc1[C@@H](NCc1ccccc1CF)C(=O)[O-] ZINC001601034601 1174710104 /nfs/dbraw/zinc/71/01/04/1174710104.db2.gz 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1174914180 /nfs/dbraw/zinc/91/41/80/1174914180.db2.gz UQLPTPGFTYNQLN-NWDGAFQWSA-N -1 1 297.314 1.906 20 0 CDADMM O=C([O-])C1(CN[C@@H](CO)c2c(F)cccc2F)CC1 ZINC001601709329 1174962558 /nfs/dbraw/zinc/96/25/58/1174962558.db2.gz QUDRWDZTUQGNAB-JTQLQIEISA-N -1 1 271.263 1.453 20 0 CDADMM O=C([O-])C1(O)CCN(Cc2cccc3nsnc32)CC1 ZINC001601723886 1174968901 /nfs/dbraw/zinc/96/89/01/1174968901.db2.gz WDSWCXTYDOOZMW-UHFFFAOYSA-N -1 1 293.348 1.103 20 0 CDADMM O=C([O-])C1=NO[C@]2(CC[N@@H+](C[C@@H]3C[C@H]4CCC[C@@H]4O3)C2)C1 ZINC001601742261 1174979157 /nfs/dbraw/zinc/97/91/57/1174979157.db2.gz CIHAPJMEGNLPAN-REJLFOLJSA-N -1 1 294.351 1.249 20 0 CDADMM O=C([O-])[C@H]1[C@@H](CNc2cnccc2-n2cccn2)C1(F)F ZINC001601748156 1174982626 /nfs/dbraw/zinc/98/26/26/1174982626.db2.gz AWDKXCUQZLLWBD-LDYMZIIASA-N -1 1 294.261 1.645 20 0 CDADMM O=C([O-])[C@@H]1CCN(Cc2cnon2)[C@@H]2CCC[C@H]21 ZINC001601828208 1175026987 /nfs/dbraw/zinc/02/69/87/1175026987.db2.gz OLLFICVNQCXLMK-HBNTYKKESA-N -1 1 251.286 1.145 20 0 CDADMM O=C([O-])[C@H]1CCN1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC001601835366 1175030076 /nfs/dbraw/zinc/03/00/76/1175030076.db2.gz UZSDHKFKGWGILH-SECBINFHSA-N -1 1 277.305 1.437 20 0 CDADMM O=C([O-])/C=C/c1ccc(OCCN2CC=C[C@H]2CO)cc1 ZINC001601883389 1175051221 /nfs/dbraw/zinc/05/12/21/1175051221.db2.gz MJIYWUBGVKYLFI-GPAKFWEMSA-N -1 1 289.331 1.396 20 0 CDADMM O=C([O-])c1c[nH]c(CN2CCN(C3CC3)CC2)c1C1CC1 ZINC001602233230 1175176205 /nfs/dbraw/zinc/17/62/05/1175176205.db2.gz IKBOXRJSOSUPKC-UHFFFAOYSA-N -1 1 289.379 1.870 20 0 CDADMM O=C([O-])c1ccc(CN2CC[C@@H](N3CCCC3=O)C2)o1 ZINC001602336838 1175210157 /nfs/dbraw/zinc/21/01/57/1175210157.db2.gz VSLSEPABCQYAHK-SNVBAGLBSA-N -1 1 278.308 1.175 20 0 CDADMM O=C([O-])c1ccc(CNCc2ccc3[nH]c(=O)[nH]c3c2)o1 ZINC001602348063 1175220564 /nfs/dbraw/zinc/22/05/64/1175220564.db2.gz MACVHLJBRVPWOV-UHFFFAOYSA-N -1 1 287.275 1.850 20 0 CDADMM O=C([O-])c1ccc(F)c(CN2CCC[C@H](OCCO)C2)c1 ZINC001602364056 1175224293 /nfs/dbraw/zinc/22/42/93/1175224293.db2.gz MCJUKMZPULAEAK-ZDUSSCGKSA-N -1 1 297.326 1.497 20 0 CDADMM O=C([O-])c1cn(C2CN(C[C@@H]3C[C@H]3c3ccccc3)C2)nn1 ZINC001602502288 1175262334 /nfs/dbraw/zinc/26/23/34/1175262334.db2.gz RDLGZRUTOCGGBI-JSGCOSHPSA-N -1 1 298.346 1.637 20 0 CDADMM CC(C)(C)[C@H](O)C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001603062215 1175485259 /nfs/dbraw/zinc/48/52/59/1175485259.db2.gz CJLVWUSWWLPYAW-SECBINFHSA-N -1 1 296.352 1.378 20 0 CDADMM CC(=O)c1ccc(C(=O)O[C@@H]2C[C@H](C(=O)[O-])[N@@H+](C)C2)cc1 ZINC001603107718 1175491133 /nfs/dbraw/zinc/49/11/33/1175491133.db2.gz HQHICEJAYACDIG-CHWSQXEVSA-N -1 1 291.303 1.203 20 0 CDADMM CC(=O)c1ccc(C(=O)O[C@@H]2C[C@H](C(=O)[O-])N(C)C2)cc1 ZINC001603107718 1175491136 /nfs/dbraw/zinc/49/11/36/1175491136.db2.gz HQHICEJAYACDIG-CHWSQXEVSA-N -1 1 291.303 1.203 20 0 CDADMM CC(=O)c1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)on1 ZINC001603103880 1175491725 /nfs/dbraw/zinc/49/17/25/1175491725.db2.gz XXTJVHWOCSFIHJ-OBJOEFQTSA-N -1 1 292.335 1.952 20 0 CDADMM CC(=O)c1cc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)on1 ZINC001603103880 1175491729 /nfs/dbraw/zinc/49/17/29/1175491729.db2.gz XXTJVHWOCSFIHJ-OBJOEFQTSA-N -1 1 292.335 1.952 20 0 CDADMM CC(C)[C@@H]1CN(c2cccnc2-c2nnn[n-]2)CCO1 ZINC001603249721 1175526491 /nfs/dbraw/zinc/52/64/91/1175526491.db2.gz TZOODBTYMDXUOP-NSHDSACASA-N -1 1 274.328 1.123 20 0 CDADMM CC(C)[C@@H]1CN(c2cccnc2-c2nn[n-]n2)CCO1 ZINC001603249721 1175526498 /nfs/dbraw/zinc/52/64/98/1175526498.db2.gz TZOODBTYMDXUOP-NSHDSACASA-N -1 1 274.328 1.123 20 0 CDADMM CC(C)(C)[C@H]1CCCN(Cn2cnc(C(=O)[O-])n2)C1 ZINC001603318865 1175538358 /nfs/dbraw/zinc/53/83/58/1175538358.db2.gz DLISGCWMJLOHLK-JTQLQIEISA-N -1 1 266.345 1.692 20 0 CDADMM Cn1cnc(S(=O)(=O)[N-][C@H]2C=CCCC2)c1Cl ZINC000127846723 1175572410 /nfs/dbraw/zinc/57/24/10/1175572410.db2.gz KVUVYJOEEAYKJA-QMMMGPOBSA-N -1 1 275.761 1.461 20 0 CDADMM C[C@@H](O)C1(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC001603693669 1175600708 /nfs/dbraw/zinc/60/07/08/1175600708.db2.gz 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C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)[C@@H](C)[C@@H](C)O1 ZINC001603940845 1175693317 /nfs/dbraw/zinc/69/33/17/1175693317.db2.gz XNKNIRDIPUVQGK-KXUCPTDWSA-N -1 1 274.328 1.264 20 0 CDADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)[C@@H](C)[C@@H](C)O1 ZINC001603940845 1175693322 /nfs/dbraw/zinc/69/33/22/1175693322.db2.gz XNKNIRDIPUVQGK-KXUCPTDWSA-N -1 1 274.328 1.264 20 0 CDADMM CC[C@@H](C)[C@H](C)C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001603997880 1175710611 /nfs/dbraw/zinc/71/06/11/1175710611.db2.gz PLTDBYPYRNVDDG-ZJUUUORDSA-N -1 1 289.339 1.987 20 0 CDADMM CC[C@@H](C)[C@H](C)C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001603997880 1175710617 /nfs/dbraw/zinc/71/06/17/1175710617.db2.gz PLTDBYPYRNVDDG-ZJUUUORDSA-N -1 1 289.339 1.987 20 0 CDADMM CC[C@@H](C)[C@H](C)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001603996002 1175712471 /nfs/dbraw/zinc/71/24/71/1175712471.db2.gz BMKPLIZODDBHMK-RQJHMYQMSA-N -1 1 263.305 1.211 20 0 CDADMM CC[C@@H](C)[C@H](C)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001603996002 1175712473 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CCc1ncc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)o1 ZINC001120362707 937795889 /nfs/dbraw/zinc/79/58/89/937795889.db2.gz MCAYFILWJPXIGO-LLVKDONJSA-N -1 1 264.325 1.924 20 0 CDADMM COC(=O)c1ccc(C(=O)OCCOC[C@H]2CCCO2)[n-]1 ZINC000796348977 935036196 /nfs/dbraw/zinc/03/61/96/935036196.db2.gz ABIZVSZZIPGNKO-SNVBAGLBSA-N -1 1 297.307 1.154 20 0 CDADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1nccc(N)n1 ZINC001413006511 935159121 /nfs/dbraw/zinc/15/91/21/935159121.db2.gz YOHFSFKQZGLCEO-SSDOTTSWSA-N -1 1 292.726 1.909 20 0 CDADMM CSc1nc(CNC(=O)Cc2cc(C)on2)cc(=O)[n-]1 ZINC001413193240 935939604 /nfs/dbraw/zinc/93/96/04/935939604.db2.gz DYGGBLOEOXOHDM-UHFFFAOYSA-N -1 1 294.336 1.059 20 0 CDADMM C[C@@]1(CO)CN(Cc2ccc(F)cc2C(=O)[O-])CC[C@@H]1O ZINC001238232945 945136151 /nfs/dbraw/zinc/13/61/51/945136151.db2.gz GRCNOGLZLAJQRM-ZFWWWQNUSA-N -1 1 297.326 1.089 20 0 CDADMM CC(C)[C@H](O)CNc1nc(N(C)C)[n-]c(=O)c1N=O ZINC001253754453 936027330 /nfs/dbraw/zinc/02/73/30/936027330.db2.gz ORNUNQJZXVTUEY-SSDOTTSWSA-N -1 1 269.305 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/nfs/dbraw/zinc/43/99/32/939439932.db2.gz DNBXHLDGQYBDMG-UHFFFAOYSA-N -1 1 277.246 1.489 20 0 CDADMM CCCc1cc(NCC[N-]C(=O)C(F)(F)F)ncn1 ZINC001164244906 939440627 /nfs/dbraw/zinc/44/06/27/939440627.db2.gz PHXUUJGDCKQQSZ-UHFFFAOYSA-N -1 1 276.262 1.520 20 0 CDADMM CS(=O)(=O)c1ccc([O-])c(Nc2ccc[nH]c2=O)c1 ZINC001206470241 940044991 /nfs/dbraw/zinc/04/49/91/940044991.db2.gz HRHGUKXNYJIVDK-UHFFFAOYSA-N -1 1 280.305 1.640 20 0 CDADMM OCCc1cccc(-c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001239032797 945307676 /nfs/dbraw/zinc/30/76/76/945307676.db2.gz XAAFGOGTLWVUBH-UHFFFAOYSA-N -1 1 267.292 1.464 20 0 CDADMM OCCc1cccc(-c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001239032797 945307687 /nfs/dbraw/zinc/30/76/87/945307687.db2.gz XAAFGOGTLWVUBH-UHFFFAOYSA-N -1 1 267.292 1.464 20 0 CDADMM C[C@H]1CCN(Cc2ccc(C(=O)[O-])cn2)CCO1 ZINC000720445533 940365916 /nfs/dbraw/zinc/36/59/16/940365916.db2.gz MDXAEVGHBPOOQI-JTQLQIEISA-N -1 1 250.298 1.391 20 0 CDADMM CCc1cncc(Nc2cc(=O)[n-]c(N(C)C)n2)c1 ZINC001209181664 940443357 /nfs/dbraw/zinc/44/33/57/940443357.db2.gz VGBMXNIMFPGHBL-UHFFFAOYSA-N -1 1 259.313 1.949 20 0 CDADMM Nc1[nH]c(=S)[n-]c(=O)c1Nc1ccc2c(c1)OCCN2 ZINC001209714534 940628988 /nfs/dbraw/zinc/62/89/88/940628988.db2.gz UVRIQGASLQHOPR-UHFFFAOYSA-N -1 1 291.336 1.601 20 0 CDADMM Nc1cc(S(=O)(=O)[N-]c2ncccc2F)ccc1O ZINC001209809637 940644736 /nfs/dbraw/zinc/64/47/36/940644736.db2.gz OCEPOXNNDVJWTE-UHFFFAOYSA-N -1 1 283.284 1.309 20 0 CDADMM COC(=O)c1ncc(Cl)nc1[N-]c1cnoc1C ZINC001210578066 940699418 /nfs/dbraw/zinc/69/94/18/940699418.db2.gz LXMLKUIWALCBTG-UHFFFAOYSA-N -1 1 268.660 1.957 20 0 CDADMM COc1cc([N-]S(=O)(=O)c2cccc(N)c2)cc(C)n1 ZINC001210780496 940712200 /nfs/dbraw/zinc/71/22/00/940712200.db2.gz ANTSMIXXXDIRFV-UHFFFAOYSA-N -1 1 293.348 1.782 20 0 CDADMM Cc1[nH]ccc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000175759067 940774561 /nfs/dbraw/zinc/77/45/61/940774561.db2.gz BBEYPGAYSSPQGN-UHFFFAOYSA-N -1 1 259.191 1.712 20 0 CDADMM Cc1cccc(-c2noc(-c3c[nH]c(=S)[n-]c3=O)n2)n1 ZINC001213866729 940787874 /nfs/dbraw/zinc/78/78/74/940787874.db2.gz HPIBQWFBJANUIV-UHFFFAOYSA-N -1 1 287.304 1.891 20 0 CDADMM CCOC(=O)c1nonc1[N-]c1ccc(C)cc1CO ZINC001214448326 940822985 /nfs/dbraw/zinc/82/29/85/940822985.db2.gz ANQSALHWNDTACM-UHFFFAOYSA-N -1 1 277.280 1.791 20 0 CDADMM NC(=O)c1nccnc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214482686 940825175 /nfs/dbraw/zinc/82/51/75/940825175.db2.gz IWJFDDRLRDEVPN-UHFFFAOYSA-N -1 1 282.662 1.817 20 0 CDADMM COc1nc(Nc2ccc(F)c(C(=O)[O-])c2F)cc(=O)[nH]1 ZINC001215267823 940869186 /nfs/dbraw/zinc/86/91/86/940869186.db2.gz DOSMNLHVIHYLAU-UHFFFAOYSA-N -1 1 297.217 1.911 20 0 CDADMM Cn1[n-]nnc1=Nc1ccc(CN2CCCCC2)c(F)c1 ZINC001215709880 940904099 /nfs/dbraw/zinc/90/40/99/940904099.db2.gz HGIHMFLZZKUROK-UHFFFAOYSA-N -1 1 290.346 1.501 20 0 CDADMM Cc1cscc1C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC000720628565 940920691 /nfs/dbraw/zinc/92/06/91/940920691.db2.gz PVPQUVQWJSIISG-MRVPVSSYSA-N -1 1 263.326 1.199 20 0 CDADMM O=C(c1ccco1)[C@H](OCc1nn[n-]n1)c1ccco1 ZINC001223029617 941651938 /nfs/dbraw/zinc/65/19/38/941651938.db2.gz OEOXVICYXFLHQS-GFCCVEGCSA-N -1 1 274.236 1.527 20 0 CDADMM C[C@H]1C[C@H](OCCCC[P@](=O)([O-])O)CCO1 ZINC001225019018 941814291 /nfs/dbraw/zinc/81/42/91/941814291.db2.gz ORYVWGFMIGNGKV-VHSXEESVSA-N -1 1 252.247 1.528 20 0 CDADMM C[C@H](Oc1cc(=O)[n-]c(=S)[nH]1)C1CCOCC1 ZINC001225761683 941909193 /nfs/dbraw/zinc/90/91/93/941909193.db2.gz SHAZTSGJPGEEDF-ZETCQYMHSA-N -1 1 256.327 1.665 20 0 CDADMM COc1cnc(=S)[n-]c1OC[C@H]1CCCCO1 ZINC001226242097 941973161 /nfs/dbraw/zinc/97/31/61/941973161.db2.gz HLIAGQHNNNSTAX-MRVPVSSYSA-N -1 1 256.327 1.722 20 0 CDADMM CCOC(=O)[C@H]1CCC[C@@H]1Oc1cnc[n-]c1=O ZINC001227048644 942121835 /nfs/dbraw/zinc/12/18/35/942121835.db2.gz IGVDAYMEGNJTOL-IUCAKERBSA-N -1 1 252.270 1.293 20 0 CDADMM O=c1[nH]c2[n-]c(O[C@@H](c3cccnc3)C3CC3)nc2c(=O)[nH]1 ZINC001227431289 942175042 /nfs/dbraw/zinc/17/50/42/942175042.db2.gz UFONZJCQDOQFEM-SNVBAGLBSA-N -1 1 299.290 1.689 20 0 CDADMM C[C@@H](Cc1ccccc1)Oc1nc2c([n-]1)[nH]c(=O)[nH]c2=O ZINC001227431035 942175584 /nfs/dbraw/zinc/17/55/84/942175584.db2.gz RAQLAZQXLOCMEG-QMMMGPOBSA-N -1 1 286.291 1.774 20 0 CDADMM O=c1[nH]c2nc(O[C@@H]3CCCc4cccnc43)[n-]c2c(=O)[nH]1 ZINC001227436569 942177109 /nfs/dbraw/zinc/17/71/09/942177109.db2.gz YTKJTHNRVAYVRR-MRVPVSSYSA-N -1 1 299.290 1.616 20 0 CDADMM O=c1[nH]c2[n-]c(O[C@@H]3CCCc4cccnc43)nc2c(=O)[nH]1 ZINC001227436569 942177113 /nfs/dbraw/zinc/17/71/13/942177113.db2.gz YTKJTHNRVAYVRR-MRVPVSSYSA-N -1 1 299.290 1.616 20 0 CDADMM CCOC(=O)[C@@H](CC)Oc1cc(=O)[n-]c(SC)n1 ZINC001228092158 942267702 /nfs/dbraw/zinc/26/77/02/942267702.db2.gz ALYCZKUOLWZYFP-SSDOTTSWSA-N -1 1 272.326 1.625 20 0 CDADMM CSc1nc(O[C@H]2CCCC3(C2)OCCO3)cc(=O)[n-]1 ZINC001228093755 942268584 /nfs/dbraw/zinc/26/85/84/942268584.db2.gz CZNQQYLHNHSSCF-VIFPVBQESA-N -1 1 298.364 1.969 20 0 CDADMM COC(=O)c1n[n-]c(OC2C[C@@H](C)C[C@H](C)C2)n1 ZINC001228311637 942296833 /nfs/dbraw/zinc/29/68/33/942296833.db2.gz MDRCBDMDKRAEMN-YUMQZZPRSA-N -1 1 253.302 1.795 20 0 CDADMM COC(=O)c1nc(OC2C[C@@H](C)C[C@H](C)C2)n[n-]1 ZINC001228311637 942296835 /nfs/dbraw/zinc/29/68/35/942296835.db2.gz MDRCBDMDKRAEMN-YUMQZZPRSA-N -1 1 253.302 1.795 20 0 CDADMM COC(=O)c1n[n-]c(O[C@H]2CCc3cc(F)ccc32)n1 ZINC001228314684 942297800 /nfs/dbraw/zinc/29/78/00/942297800.db2.gz SQCWSHGAGSZUQA-JTQLQIEISA-N -1 1 277.255 1.797 20 0 CDADMM COC(=O)c1nc(O[C@H]2CCc3cc(F)ccc32)n[n-]1 ZINC001228314684 942297803 /nfs/dbraw/zinc/29/78/03/942297803.db2.gz SQCWSHGAGSZUQA-JTQLQIEISA-N -1 1 277.255 1.797 20 0 CDADMM C[C@H](OC1=NC(=O)CC([O-])=N1)c1ccncc1F ZINC001228389317 942310320 /nfs/dbraw/zinc/31/03/20/942310320.db2.gz VJADZLSPODHCRJ-LURJTMIESA-N -1 1 251.217 1.562 20 0 CDADMM COC(=O)CC1CCC(Oc2cnnc(=S)[n-]2)CC1 ZINC001228635457 942344706 /nfs/dbraw/zinc/34/47/06/942344706.db2.gz AWJOUQWXUBKVIF-UHFFFAOYSA-N -1 1 283.353 1.661 20 0 CDADMM S=c1nncc(OC[C@H]2CC[C@@]3(CCCCO3)O2)[n-]1 ZINC001228642260 942346841 /nfs/dbraw/zinc/34/68/41/942346841.db2.gz NKZFWOMDZJQCFG-BXKDBHETSA-N -1 1 283.353 1.615 20 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/nfs/dbraw/zinc/53/07/84/1174530784.db2.gz CQUDZRMXMBCUCN-VHSXEESVSA-N -1 1 270.354 1.794 20 0 CDADMM Cc1coc(CC(=O)[O-])c1C(=O)NC[C@H]1CCCCN1C ZINC001600643173 1174549345 /nfs/dbraw/zinc/54/93/45/1174549345.db2.gz JTISTKVLNUETNB-LLVKDONJSA-N -1 1 294.351 1.429 20 0 CDADMM Cc1nnc([C@H](C)OC(=O)CCCCC(=O)[O-])[nH]1 ZINC001600667465 1174556032 /nfs/dbraw/zinc/55/60/32/1174556032.db2.gz VCBWDYFEXJRFHW-ZETCQYMHSA-N -1 1 255.274 1.362 20 0 CDADMM Cc1nc(CNC(=O)Nc2cc(C(=O)[O-])sc2C)n[nH]1 ZINC001600671739 1174558954 /nfs/dbraw/zinc/55/89/54/1174558954.db2.gz XKBWGQPGTRICOJ-UHFFFAOYSA-N -1 1 295.324 1.503 20 0 CDADMM Cc1sc(NC[C@@H](C)N2CCN(C)CC2)nc1C(=O)[O-] ZINC001600888813 1174653334 /nfs/dbraw/zinc/65/33/34/1174653334.db2.gz YPKVVRTVKVHBEN-SECBINFHSA-N -1 1 298.412 1.198 20 0 CDADMM Cc1ccc([C@H](C)NC(=O)CNC(C)(C)C(=O)[O-])cc1C ZINC000738262029 574498027 /nfs/dbraw/zinc/49/80/27/574498027.db2.gz SJYLCDSIVXEKNZ-LBPRGKRZSA-N -1 1 292.379 1.933 20 0 CDADMM c1ccc2c(c1)C[C@H](CNc1nccnc1-c1nnn[n-]1)O2 ZINC000738437456 574585485 /nfs/dbraw/zinc/58/54/85/574585485.db2.gz QDUFVIKPQWLVNH-SNVBAGLBSA-N -1 1 295.306 1.072 20 0 CDADMM c1ccc2c(c1)C[C@H](CNc1nccnc1-c1nn[n-]n1)O2 ZINC000738437456 574585488 /nfs/dbraw/zinc/58/54/88/574585488.db2.gz QDUFVIKPQWLVNH-SNVBAGLBSA-N -1 1 295.306 1.072 20 0 CDADMM COCCN(CCC(=O)[O-])Cc1nc2ccccc2o1 ZINC000737793703 574707165 /nfs/dbraw/zinc/70/71/65/574707165.db2.gz BXXGZCJWBKGOCG-UHFFFAOYSA-N -1 1 278.308 1.751 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000770265071 575435753 /nfs/dbraw/zinc/43/57/53/575435753.db2.gz JZNIBAVUBHWDAH-MWLCHTKSSA-N -1 1 293.367 1.911 20 0 CDADMM CC(C)(C)CCC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000735604492 575491359 /nfs/dbraw/zinc/49/13/59/575491359.db2.gz WLUKEFVOVUHUQA-UHFFFAOYSA-N -1 1 263.305 1.112 20 0 CDADMM O=C(N[C@@H](CO)C1CC1)c1c([O-])cccc1Cl ZINC000771023727 575532355 /nfs/dbraw/zinc/53/23/55/575532355.db2.gz CBZGURISGQIQKD-VIFPVBQESA-N -1 1 255.701 1.546 20 0 CDADMM CC(C)c1ocnc1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000735954232 575538708 /nfs/dbraw/zinc/53/87/08/575538708.db2.gz WGPCCGUVRNVNEH-UHFFFAOYSA-N -1 1 290.327 1.331 20 0 CDADMM C[C@H](O)C[C@H](C)CNc1cccc(-c2nnn[n-]2)n1 ZINC000736144977 575577874 /nfs/dbraw/zinc/57/78/74/575577874.db2.gz RXRIRNFWROHYAL-IUCAKERBSA-N -1 1 262.317 1.081 20 0 CDADMM C[C@H](O)C[C@H](C)CNc1cccc(-c2nn[n-]n2)n1 ZINC000736144977 575577875 /nfs/dbraw/zinc/57/78/75/575577875.db2.gz RXRIRNFWROHYAL-IUCAKERBSA-N -1 1 262.317 1.081 20 0 CDADMM CC1(C)CN(c2cccc(-c3nnn[n-]3)n2)CCCO1 ZINC000736214248 575594182 /nfs/dbraw/zinc/59/41/82/575594182.db2.gz PVVBGMXRRRKRRZ-UHFFFAOYSA-N -1 1 274.328 1.267 20 0 CDADMM CC1(C)CN(c2cccc(-c3nn[n-]n3)n2)CCCO1 ZINC000736214248 575594184 /nfs/dbraw/zinc/59/41/84/575594184.db2.gz PVVBGMXRRRKRRZ-UHFFFAOYSA-N -1 1 274.328 1.267 20 0 CDADMM C[C@@H]1C[C@H]1c1ccc(CNc2nccnc2-c2nnn[n-]2)o1 ZINC000736241287 575597611 /nfs/dbraw/zinc/59/76/11/575597611.db2.gz WTZRGYMAGOKFOX-PSASIEDQSA-N -1 1 297.322 1.985 20 0 CDADMM C[C@@H]1C[C@H]1c1ccc(CNc2nccnc2-c2nn[n-]n2)o1 ZINC000736241287 575597613 /nfs/dbraw/zinc/59/76/13/575597613.db2.gz WTZRGYMAGOKFOX-PSASIEDQSA-N -1 1 297.322 1.985 20 0 CDADMM CC(C)(CC(=O)[O-])NCc1cn(-c2ccccc2)nn1 ZINC000736317654 575621829 /nfs/dbraw/zinc/62/18/29/575621829.db2.gz YMVQZHVFRSUCSR-UHFFFAOYSA-N -1 1 274.324 1.610 20 0 CDADMM CC[C@H](C)CN(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736321354 575622513 /nfs/dbraw/zinc/62/25/13/575622513.db2.gz CHWYYMFFTSGQNV-VIFPVBQESA-N -1 1 274.328 1.380 20 0 CDADMM CC[C@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736321354 575622516 /nfs/dbraw/zinc/62/25/16/575622516.db2.gz CHWYYMFFTSGQNV-VIFPVBQESA-N -1 1 274.328 1.380 20 0 CDADMM O=C(C[C@@H]1OC(=O)c2ccccc21)[N-]OC1CCOCC1 ZINC000772718481 575742422 /nfs/dbraw/zinc/74/24/22/575742422.db2.gz KAORPWXEXPUFAO-ZDUSSCGKSA-N -1 1 291.303 1.515 20 0 CDADMM CC[C@](C)(NCC(=O)Nc1nc2c(s1)CCC2)C(=O)[O-] ZINC000736863149 575766540 /nfs/dbraw/zinc/76/65/40/575766540.db2.gz IJFXVAFEYIGHSO-ZDUSSCGKSA-N -1 1 297.380 1.413 20 0 CDADMM CC[C@@H]1CCC[N@H+]1CC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000736940065 575773614 /nfs/dbraw/zinc/77/36/14/575773614.db2.gz QXFCKMJRRLTXKA-VXGBXAGGSA-N -1 1 270.373 1.476 20 0 CDADMM CCCN(C)CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000737008046 575792393 /nfs/dbraw/zinc/79/23/93/575792393.db2.gz TZYUXIKPPFIJAF-GFCCVEGCSA-N -1 1 276.336 1.543 20 0 CDADMM COc1cc(Nc2nccnc2-c2nnn[n-]2)cc(OC)c1 ZINC000737050292 575803686 /nfs/dbraw/zinc/80/36/86/575803686.db2.gz DNJDPMFKVIOXGI-UHFFFAOYSA-N -1 1 299.294 1.418 20 0 CDADMM COc1cc(Nc2nccnc2-c2nn[n-]n2)cc(OC)c1 ZINC000737050292 575803688 /nfs/dbraw/zinc/80/36/88/575803688.db2.gz DNJDPMFKVIOXGI-UHFFFAOYSA-N -1 1 299.294 1.418 20 0 CDADMM CCN(CC(=O)Nc1ccccc1C(=O)[O-])CC(C)(C)O ZINC000737069236 575809786 /nfs/dbraw/zinc/80/97/86/575809786.db2.gz FHDUYYIHUWFCLX-UHFFFAOYSA-N -1 1 294.351 1.416 20 0 CDADMM O=C(OCC[C@@H]1CCOC1=O)c1ccc([O-])cc1F ZINC000773567648 575826819 /nfs/dbraw/zinc/82/68/19/575826819.db2.gz MDWBOTRXOJZHTO-QMMMGPOBSA-N -1 1 268.240 1.641 20 0 CDADMM CC1(C)CN(C(=O)c2ccc3n[n-]c(=S)n3c2)CCO1 ZINC000773789645 575839091 /nfs/dbraw/zinc/83/90/91/575839091.db2.gz NNHXAEAQWLUEST-UHFFFAOYSA-N -1 1 292.364 1.269 20 0 CDADMM CC(=O)C[C@@H]1COCCN1C(=O)c1c([O-])cccc1Cl ZINC000773884724 575843000 /nfs/dbraw/zinc/84/30/00/575843000.db2.gz ZDWJJACOTQSEEY-SNVBAGLBSA-N -1 1 297.738 1.866 20 0 CDADMM Cc1ccc([C@@H](O)CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000737318108 575939943 /nfs/dbraw/zinc/93/99/43/575939943.db2.gz BFDUKSVFHOBQMC-ZDUSSCGKSA-N -1 1 296.334 1.716 20 0 CDADMM Cc1ccc([C@@H](O)CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000737318108 575939946 /nfs/dbraw/zinc/93/99/46/575939946.db2.gz BFDUKSVFHOBQMC-ZDUSSCGKSA-N -1 1 296.334 1.716 20 0 CDADMM CN(C)[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000737358222 575946162 /nfs/dbraw/zinc/94/61/62/575946162.db2.gz JDLLVCFHKRSUMR-KBPBESRZSA-N -1 1 290.363 1.092 20 0 CDADMM CN(C[C@H]1CCS(=O)(=O)C1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737413687 575958941 /nfs/dbraw/zinc/95/89/41/575958941.db2.gz QUZHYORUWOHCTH-YPMHNXCESA-N -1 1 297.376 1.179 20 0 CDADMM Cc1ccccc1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737437717 575964622 /nfs/dbraw/zinc/96/46/22/575964622.db2.gz ZRJDLZNBIJWKBF-UHFFFAOYSA-N -1 1 281.275 1.789 20 0 CDADMM Cc1ccccc1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737437717 575964623 /nfs/dbraw/zinc/96/46/23/575964623.db2.gz ZRJDLZNBIJWKBF-UHFFFAOYSA-N -1 1 281.275 1.789 20 0 CDADMM Clc1ncccc1CNc1n[nH]cc1-c1nnn[n-]1 ZINC000737585144 575996842 /nfs/dbraw/zinc/99/68/42/575996842.db2.gz ZYAPADZVPLPOBV-UHFFFAOYSA-N -1 1 276.691 1.250 20 0 CDADMM Clc1ncccc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC000737585144 575996845 /nfs/dbraw/zinc/99/68/45/575996845.db2.gz ZYAPADZVPLPOBV-UHFFFAOYSA-N -1 1 276.691 1.250 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1C1CC1 ZINC000738258653 576054114 /nfs/dbraw/zinc/05/41/14/576054114.db2.gz JTNKANKKDBFIOV-LBPRGKRZSA-N -1 1 284.323 1.276 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1C1CC1 ZINC000738258653 576054116 /nfs/dbraw/zinc/05/41/16/576054116.db2.gz JTNKANKKDBFIOV-LBPRGKRZSA-N -1 1 284.323 1.276 20 0 CDADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CCOCC1 ZINC000738436854 576074584 /nfs/dbraw/zinc/07/45/84/576074584.db2.gz JTZKOCKXVHONJF-UHFFFAOYSA-N -1 1 282.307 1.252 20 0 CDADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CCOCC1 ZINC000738436854 576074585 /nfs/dbraw/zinc/07/45/85/576074585.db2.gz JTZKOCKXVHONJF-UHFFFAOYSA-N -1 1 282.307 1.252 20 0 CDADMM Cc1ccccc1C1CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000738769603 576111685 /nfs/dbraw/zinc/11/16/85/576111685.db2.gz UUYKMSRCRMPATM-UHFFFAOYSA-N -1 1 290.363 1.375 20 0 CDADMM CCc1cc(=O)[n-]c(SC[C@@H]2CCOCO2)n1 ZINC000767058540 576156745 /nfs/dbraw/zinc/15/67/45/576156745.db2.gz XLZLYAFVSDPSHX-VIFPVBQESA-N -1 1 256.327 1.600 20 0 CDADMM O=C([O-])[C@@H]1CCN(Cn2cnc(-c3ccccc3)n2)C1 ZINC000739599117 576264260 /nfs/dbraw/zinc/26/42/60/576264260.db2.gz SNJNWBOLHFGPKC-GFCCVEGCSA-N -1 1 272.308 1.309 20 0 CDADMM C[C@H](O)[C@@H]1CCCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000768388931 576279107 /nfs/dbraw/zinc/27/91/07/576279107.db2.gz MILNDBQQFZYAPR-CABZTGNLSA-N -1 1 267.300 1.907 20 0 CDADMM CS[C@@H](CO)[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000769339649 576347445 /nfs/dbraw/zinc/34/74/45/576347445.db2.gz HAPNTRQHABDGTG-XVKPBYJWSA-N -1 1 289.784 1.888 20 0 CDADMM O=C([O-])Cn1ccc(NC(=O)c2ccc(Cl)cc2O)n1 ZINC000739919081 576397999 /nfs/dbraw/zinc/39/79/99/576397999.db2.gz GBQNKRPUFHRVLB-UHFFFAOYSA-N -1 1 295.682 1.579 20 0 CDADMM COCCOC[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000743678901 576650397 /nfs/dbraw/zinc/65/03/97/576650397.db2.gz TUTDMGCOLPMIAD-SECBINFHSA-N -1 1 287.743 1.827 20 0 CDADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C)C(C)=O ZINC000744578581 576687067 /nfs/dbraw/zinc/68/70/67/576687067.db2.gz ODRGYACVWMVRGR-SNVBAGLBSA-N -1 1 299.348 1.583 20 0 CDADMM O=C(COC(=O)c1ccc([O-])cc1F)[C@H]1CCOC1 ZINC000762913200 576691251 /nfs/dbraw/zinc/69/12/51/576691251.db2.gz AHENWTKQRHMFPM-QMMMGPOBSA-N -1 1 268.240 1.294 20 0 CDADMM O=C([N-]OCc1cccnc1)c1c[nH]c2ccccc2c1=O ZINC000747577291 576875604 /nfs/dbraw/zinc/87/56/04/576875604.db2.gz NCZBIJOYDFXOSZ-UHFFFAOYSA-N -1 1 295.298 1.785 20 0 CDADMM CC(F)(F)CC(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000758729424 577129602 /nfs/dbraw/zinc/12/96/02/577129602.db2.gz GPDMNBKMMOSKPP-UHFFFAOYSA-N -1 1 285.246 1.532 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2CC2(Cl)Cl)n1 ZINC000752972737 577138024 /nfs/dbraw/zinc/13/80/24/577138024.db2.gz FBAYUPCBQYQPKB-YFKPBYRVSA-N -1 1 292.122 1.719 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)Cc2csc(C)n2)n1 ZINC000752975902 577138207 /nfs/dbraw/zinc/13/82/07/577138207.db2.gz LRBWJMULDWAETG-UHFFFAOYSA-N -1 1 294.336 1.533 20 0 CDADMM Cc1nnc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)n1C ZINC000753139319 577148638 /nfs/dbraw/zinc/14/86/38/577148638.db2.gz SLMSZTNPWJUJBJ-UHFFFAOYSA-N -1 1 290.327 1.303 20 0 CDADMM O=C([O-])[C@@H]1CCCC[C@H]1CN1CCc2c[nH]nc2C1 ZINC001601812823 1175019368 /nfs/dbraw/zinc/01/93/68/1175019368.db2.gz 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/nfs/dbraw/zinc/84/39/56/605843956.db2.gz UUSGCJJGVPNUPB-KCJUWKMLSA-N -1 1 269.728 1.993 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CNc1cccc2c1OCCO2 ZINC000823757336 606133569 /nfs/dbraw/zinc/13/35/69/606133569.db2.gz PCXYCBBWWMMEBQ-UHFFFAOYSA-N -1 1 299.290 1.843 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1CNc1cccc2c1OCCO2 ZINC000823757336 606133571 /nfs/dbraw/zinc/13/35/71/606133571.db2.gz PCXYCBBWWMMEBQ-UHFFFAOYSA-N -1 1 299.290 1.843 20 0 CDADMM C[C@H](CCO)Sc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820249358 606469818 /nfs/dbraw/zinc/46/98/18/606469818.db2.gz VFTIWEXIAOIZTO-ZCFIWIBFSA-N -1 1 285.760 1.778 20 0 CDADMM C[C@H](CCO)Sc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820249358 606469819 /nfs/dbraw/zinc/46/98/19/606469819.db2.gz VFTIWEXIAOIZTO-ZCFIWIBFSA-N -1 1 285.760 1.778 20 0 CDADMM CC(C)[C@H]1OCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC000820046576 606471864 /nfs/dbraw/zinc/47/18/64/606471864.db2.gz SEYZMOGVUOTVNO-GXSJLCMTSA-N -1 1 289.343 1.130 20 0 CDADMM CC(C)[C@H]1OCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC000820046576 606471866 /nfs/dbraw/zinc/47/18/66/606471866.db2.gz SEYZMOGVUOTVNO-GXSJLCMTSA-N -1 1 289.343 1.130 20 0 CDADMM Cc1ccccc1CC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000822356649 606532837 /nfs/dbraw/zinc/53/28/37/606532837.db2.gz XLKOKSLCGGBPKB-UHFFFAOYSA-N -1 1 283.295 1.079 20 0 CDADMM Cc1ccccc1CC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000822356649 606532839 /nfs/dbraw/zinc/53/28/39/606532839.db2.gz XLKOKSLCGGBPKB-UHFFFAOYSA-N -1 1 283.295 1.079 20 0 CDADMM CSC(C)(C)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821944042 606579796 /nfs/dbraw/zinc/57/97/96/606579796.db2.gz ZLJPZPSCYWPDCE-UHFFFAOYSA-N -1 1 297.409 1.800 20 0 CDADMM CSC(C)(C)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821944042 606579797 /nfs/dbraw/zinc/57/97/97/606579797.db2.gz ZLJPZPSCYWPDCE-UHFFFAOYSA-N -1 1 297.409 1.800 20 0 CDADMM Cc1ncccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822472376 606581315 /nfs/dbraw/zinc/58/13/15/606581315.db2.gz QPGUGSUFYCKHQJ-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM Cc1ncccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822472376 606581316 /nfs/dbraw/zinc/58/13/16/606581316.db2.gz QPGUGSUFYCKHQJ-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM CC/C=C(\C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821001556 606652694 /nfs/dbraw/zinc/65/26/94/606652694.db2.gz RPONNBNVKBIHFS-RUDMXATFSA-N -1 1 273.296 1.661 20 0 CDADMM CC/C=C(\C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821001556 606652695 /nfs/dbraw/zinc/65/26/95/606652695.db2.gz RPONNBNVKBIHFS-RUDMXATFSA-N -1 1 273.296 1.661 20 0 CDADMM Cc1cc(Cn2ccnc2-c2nnn[n-]2)c2ccccc2n1 ZINC000822202050 606655093 /nfs/dbraw/zinc/65/50/93/606655093.db2.gz JACRTIFRPFLJAP-UHFFFAOYSA-N -1 1 291.318 1.968 20 0 CDADMM Cc1cc(Cn2ccnc2-c2nn[n-]n2)c2ccccc2n1 ZINC000822202050 606655094 /nfs/dbraw/zinc/65/50/94/606655094.db2.gz JACRTIFRPFLJAP-UHFFFAOYSA-N -1 1 291.318 1.968 20 0 CDADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C)n1 ZINC000822254415 606692898 /nfs/dbraw/zinc/69/28/98/606692898.db2.gz JDLBNMHTRKODEI-UHFFFAOYSA-N -1 1 295.306 1.526 20 0 CDADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C)n1 ZINC000822254415 606692897 /nfs/dbraw/zinc/69/28/97/606692897.db2.gz JDLBNMHTRKODEI-UHFFFAOYSA-N -1 1 295.306 1.526 20 0 CDADMM c1cc(N[C@@H]2CCC[C@H]3OCC[C@H]32)nc(-c2nnn[n-]2)c1 ZINC000823756958 606729793 /nfs/dbraw/zinc/72/97/93/606729793.db2.gz HYHUETWPNDHQGF-HOSYDEDBSA-N -1 1 286.339 1.631 20 0 CDADMM c1cc(N[C@@H]2CCC[C@H]3OCC[C@H]32)nc(-c2nn[n-]n2)c1 ZINC000823756958 606729797 /nfs/dbraw/zinc/72/97/97/606729797.db2.gz HYHUETWPNDHQGF-HOSYDEDBSA-N -1 1 286.339 1.631 20 0 CDADMM c1cc(NCCc2ccncc2)nc(-c2nnn[n-]2)c1 ZINC000095147445 606821327 /nfs/dbraw/zinc/82/13/27/606821327.db2.gz YVCKAQBVSMMPHY-UHFFFAOYSA-N -1 1 267.296 1.311 20 0 CDADMM c1cc(NCCc2ccncc2)nc(-c2nn[n-]n2)c1 ZINC000095147445 606821334 /nfs/dbraw/zinc/82/13/34/606821334.db2.gz YVCKAQBVSMMPHY-UHFFFAOYSA-N -1 1 267.296 1.311 20 0 CDADMM CN(c1cccc(-c2nnn[n-]2)n1)C1CCC(CO)CC1 ZINC000826004147 607901976 /nfs/dbraw/zinc/90/19/76/607901976.db2.gz KTAXGBMNWPASHG-UHFFFAOYSA-N -1 1 288.355 1.249 20 0 CDADMM CN(c1cccc(-c2nn[n-]n2)n1)C1CCC(CO)CC1 ZINC000826004147 607901977 /nfs/dbraw/zinc/90/19/77/607901977.db2.gz KTAXGBMNWPASHG-UHFFFAOYSA-N -1 1 288.355 1.249 20 0 CDADMM c1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826521668 607987604 /nfs/dbraw/zinc/98/76/04/607987604.db2.gz VDFOKEJVLWHVPO-UHFFFAOYSA-N -1 1 267.296 1.311 20 0 CDADMM c1ccc(CCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826521668 607987605 /nfs/dbraw/zinc/98/76/05/607987605.db2.gz VDFOKEJVLWHVPO-UHFFFAOYSA-N -1 1 267.296 1.311 20 0 CDADMM CC[C@](C)(CO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000825045340 608188974 /nfs/dbraw/zinc/18/89/74/608188974.db2.gz ZEQFDEJAZWZNQK-SECBINFHSA-N -1 1 288.764 1.550 20 0 CDADMM CC[C@](C)(CO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000825045340 608188976 /nfs/dbraw/zinc/18/89/76/608188976.db2.gz ZEQFDEJAZWZNQK-SECBINFHSA-N -1 1 288.764 1.550 20 0 CDADMM Fc1cccc(F)c1Oc1ccc(-c2nnn[n-]2)nn1 ZINC000826377573 608390461 /nfs/dbraw/zinc/39/04/61/608390461.db2.gz XLRUDTBIMCDHMS-UHFFFAOYSA-N -1 1 276.206 1.727 20 0 CDADMM Fc1cccc(F)c1Oc1ccc(-c2nn[n-]n2)nn1 ZINC000826377573 608390463 /nfs/dbraw/zinc/39/04/63/608390463.db2.gz XLRUDTBIMCDHMS-UHFFFAOYSA-N -1 1 276.206 1.727 20 0 CDADMM Cc1ccccc1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826306722 608390976 /nfs/dbraw/zinc/39/09/76/608390976.db2.gz JGXHALCOHUOQBL-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1ccccc1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826306722 608390978 /nfs/dbraw/zinc/39/09/78/608390978.db2.gz JGXHALCOHUOQBL-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM c1ccc2c(c1)OC[C@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826523957 608408060 /nfs/dbraw/zinc/40/80/60/608408060.db2.gz DCZCCEYEYJNHCE-SNVBAGLBSA-N -1 1 281.279 1.202 20 0 CDADMM c1ccc2c(c1)OC[C@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826523957 608408062 /nfs/dbraw/zinc/40/80/62/608408062.db2.gz DCZCCEYEYJNHCE-SNVBAGLBSA-N -1 1 281.279 1.202 20 0 CDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC000824426505 608419754 /nfs/dbraw/zinc/41/97/54/608419754.db2.gz GRHNVKSQNYKIIF-MRVPVSSYSA-N -1 1 261.333 1.751 20 0 CDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC000824426505 608419755 /nfs/dbraw/zinc/41/97/55/608419755.db2.gz GRHNVKSQNYKIIF-MRVPVSSYSA-N -1 1 261.333 1.751 20 0 CDADMM Oc1ccc(CCCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826511596 608422208 /nfs/dbraw/zinc/42/22/08/608422208.db2.gz WXAMQLRPQCSHDF-UHFFFAOYSA-N -1 1 297.322 1.407 20 0 CDADMM Oc1ccc(CCCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826511596 608422210 /nfs/dbraw/zinc/42/22/10/608422210.db2.gz WXAMQLRPQCSHDF-UHFFFAOYSA-N -1 1 297.322 1.407 20 0 CDADMM COCCN(Cc1ccc(-c2nn[n-]n2)o1)CC(F)F ZINC000826159011 608675359 /nfs/dbraw/zinc/67/53/59/608675359.db2.gz MKDSAFIQHPXTHO-UHFFFAOYSA-N -1 1 287.270 1.173 20 0 CDADMM COCCN(Cc1ccc(-c2nnn[n-]2)o1)CC(F)F ZINC000826159011 608675357 /nfs/dbraw/zinc/67/53/57/608675357.db2.gz MKDSAFIQHPXTHO-UHFFFAOYSA-N -1 1 287.270 1.173 20 0 CDADMM O=C(O[C@@H]1C=CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826462458 609159151 /nfs/dbraw/zinc/15/91/51/609159151.db2.gz YVFDIGKTHSLSKL-SECBINFHSA-N -1 1 257.253 1.137 20 0 CDADMM O=C(O[C@@H]1C=CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826462458 609159153 /nfs/dbraw/zinc/15/91/53/609159153.db2.gz YVFDIGKTHSLSKL-SECBINFHSA-N -1 1 257.253 1.137 20 0 CDADMM C[C@H]1C[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC000824886170 609596741 /nfs/dbraw/zinc/59/67/41/609596741.db2.gz WIBGJUMTHWMTRC-UWVGGRQHSA-N -1 1 289.343 1.274 20 0 CDADMM C[C@H]1C[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC000824886170 609596743 /nfs/dbraw/zinc/59/67/43/609596743.db2.gz WIBGJUMTHWMTRC-UWVGGRQHSA-N -1 1 289.343 1.274 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@@H](O)[C@@H](F)C1 ZINC000890692764 617278575 /nfs/dbraw/zinc/27/85/75/617278575.db2.gz XCVVZNMAIZLEDL-GXSJLCMTSA-N -1 1 257.236 1.076 20 0 CDADMM Cc1cnc(C(=O)N[C@H]2COC[C@@H]2C2CC2)c([O-])c1 ZINC000891049088 617356583 /nfs/dbraw/zinc/35/65/83/617356583.db2.gz MLFVLVWOBNTPLP-MNOVXSKESA-N -1 1 262.309 1.250 20 0 CDADMM CCC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC000958981896 614664799 /nfs/dbraw/zinc/66/47/99/614664799.db2.gz AFECADKPMBJIMW-WDEREUQCSA-N -1 1 291.351 1.164 20 0 CDADMM COC1CC(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)C1 ZINC000891616188 617505172 /nfs/dbraw/zinc/50/51/72/617505172.db2.gz WKTOBJJUSFERNW-UHFFFAOYSA-N -1 1 277.324 1.425 20 0 CDADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H]1CO ZINC000889132435 617720236 /nfs/dbraw/zinc/72/02/36/617720236.db2.gz IWTSDZNOCISKIW-GFCCVEGCSA-N -1 1 257.289 1.752 20 0 CDADMM COCc1nc(N[C@H](CO)c2ccccc2C)cc(=O)[n-]1 ZINC000892770697 617730210 /nfs/dbraw/zinc/73/02/10/617730210.db2.gz AEHLPSUYJTYCRV-GFCCVEGCSA-N -1 1 289.335 1.783 20 0 CDADMM COCc1nc(NC[C@]2(C)CCCC[C@@H]2O)cc(=O)[n-]1 ZINC000892800125 617767897 /nfs/dbraw/zinc/76/78/97/617767897.db2.gz FSWWPFYLGQNNOJ-HZMBPMFUSA-N -1 1 281.356 1.682 20 0 CDADMM COCCC1(CNc2cc(=O)[n-]c(COC)n2)CCC1 ZINC000892913909 617894412 /nfs/dbraw/zinc/89/44/12/617894412.db2.gz KOVLDHJDPOFECD-UHFFFAOYSA-N -1 1 281.356 1.947 20 0 CDADMM O=C([O-])C[C@@H]1CSCCN1Cc1cccc2c1OCO2 ZINC000901985054 618419561 /nfs/dbraw/zinc/41/95/61/618419561.db2.gz RMUNDWDHGWECBV-LLVKDONJSA-N -1 1 295.360 1.807 20 0 CDADMM O=C([O-])C[C@H]1COCCN1Cc1cccc2[nH]ccc21 ZINC000902001970 618448090 /nfs/dbraw/zinc/44/80/90/618448090.db2.gz KUXZCGAELMZZBA-LBPRGKRZSA-N -1 1 274.320 1.843 20 0 CDADMM O=S(=O)(CCOCC1CC1)[N-]c1cnn(C2CCC2)c1 ZINC000901979235 618450608 /nfs/dbraw/zinc/45/06/08/618450608.db2.gz ZCVDVNFODGGBPF-UHFFFAOYSA-N -1 1 299.396 1.776 20 0 CDADMM C[C@H](NCc1cn(-c2ccc(F)cc2Cl)nn1)C(=O)[O-] ZINC000820147730 618511924 /nfs/dbraw/zinc/51/19/24/618511924.db2.gz BVBVRXFDIQPYTA-ZETCQYMHSA-N -1 1 298.705 1.623 20 0 CDADMM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)Cc3n[nH]c4ccccc43)C[C@@H]21 ZINC000910842789 618530808 /nfs/dbraw/zinc/53/08/08/618530808.db2.gz VYMHWZWFIXPREW-BPYAMOTFSA-N -1 1 299.330 1.285 20 0 CDADMM CCOC(=O)CCC(=O)COC(=O)c1ccc([O-])cc1F ZINC000791440342 618559630 /nfs/dbraw/zinc/55/96/30/618559630.db2.gz UIIQGVKIPAIWOO-UHFFFAOYSA-N -1 1 298.266 1.601 20 0 CDADMM CC(C)OC(=O)[C@H](C)CNc1cccc(-c2nnn[n-]2)n1 ZINC000824305692 618564651 /nfs/dbraw/zinc/56/46/51/618564651.db2.gz STGJTBDEIRXGRC-SECBINFHSA-N -1 1 290.327 1.261 20 0 CDADMM CC(C)OC(=O)[C@H](C)CNc1cccc(-c2nn[n-]n2)n1 ZINC000824305692 618564657 /nfs/dbraw/zinc/56/46/57/618564657.db2.gz STGJTBDEIRXGRC-SECBINFHSA-N -1 1 290.327 1.261 20 0 CDADMM CC(C)(CCO)C[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000866898207 618649774 /nfs/dbraw/zinc/64/97/74/618649774.db2.gz BULAUCZKJSOCTI-UHFFFAOYSA-N -1 1 294.323 1.047 20 0 CDADMM C[C@@H](C(=O)N1CCc2ccc(C(=O)[O-])cc2C1)N(C)C ZINC000909451688 619325741 /nfs/dbraw/zinc/32/57/41/619325741.db2.gz UOOJUSXBISUQGJ-JTQLQIEISA-N -1 1 276.336 1.220 20 0 CDADMM C[C@@H](Cc1ccc(NC(=O)[C@H]2CCCN2C)cc1)C(=O)[O-] ZINC000909521159 619646049 /nfs/dbraw/zinc/64/60/49/619646049.db2.gz UVNWBZGLPFZSDJ-SMDDNHRTSA-N -1 1 290.363 1.983 20 0 CDADMM CN1CCC[C@@H]1C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000909524282 619744709 /nfs/dbraw/zinc/74/47/09/619744709.db2.gz UELJENHIYHXWNT-LLVKDONJSA-N -1 1 268.357 1.232 20 0 CDADMM CC(C)[C@@H](C)C(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F ZINC000869399625 620345955 /nfs/dbraw/zinc/34/59/55/620345955.db2.gz VKTWKSFDGYBYBL-MRVPVSSYSA-N -1 1 297.273 1.459 20 0 CDADMM O=C([O-])[C@@H](NC(=O)c1[nH]nc2c1CCC2)c1cccs1 ZINC000909634063 620526752 /nfs/dbraw/zinc/52/67/52/620526752.db2.gz RRSXXJLXFZWTHO-NSHDSACASA-N -1 1 291.332 1.516 20 0 CDADMM CCN1CCC[C@@H](NC(=O)c2c([O-])cccc2Cl)C1=O ZINC000928871022 620582542 /nfs/dbraw/zinc/58/25/42/620582542.db2.gz WJHFFHSLLFZTCL-SNVBAGLBSA-N -1 1 296.754 1.786 20 0 CDADMM CS[C@@H](C)CCC(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898758714 621861817 /nfs/dbraw/zinc/86/18/17/621861817.db2.gz YRNOYAYHUQPYLO-ZETCQYMHSA-N -1 1 271.342 1.036 20 0 CDADMM CCc1sc(C(=O)[N-]N2C(=O)[C@H](C)N(C)C2=O)cc1C ZINC000899026168 622020088 /nfs/dbraw/zinc/02/00/88/622020088.db2.gz OOYTVQRAYJJZJZ-QMMMGPOBSA-N -1 1 295.364 1.546 20 0 CDADMM COCCOc1ccc(C=C2SC(=O)[N-]C2=O)o1 ZINC000899341303 622194272 /nfs/dbraw/zinc/19/42/72/622194272.db2.gz YZPGIVQWUSGBRA-VURMDHGXSA-N -1 1 269.278 1.629 20 0 CDADMM Cc1[n-]n(-c2ccc(-n3cccn3)nn2)c(=O)c1C(C)C ZINC000899349233 622202287 /nfs/dbraw/zinc/20/22/87/622202287.db2.gz YYXUTEVLFUOODL-ZDUSSCGKSA-N -1 1 284.323 1.657 20 0 CDADMM CN(C[C@@H]1CCCCO1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900321068 622889876 /nfs/dbraw/zinc/88/98/76/622889876.db2.gz OHOQIVSJZUEBKD-NSHDSACASA-N -1 1 291.351 1.701 20 0 CDADMM O=C(NCCCC1CC1)c1cnc(C2CC2)[n-]c1=O ZINC000900761294 623420688 /nfs/dbraw/zinc/42/06/88/623420688.db2.gz QREWWYSQOXRIKR-UHFFFAOYSA-N -1 1 261.325 1.980 20 0 CDADMM COC[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)C1CC1 ZINC000901176587 623960547 /nfs/dbraw/zinc/96/05/47/623960547.db2.gz JLVKZVVKTRWRLM-LLVKDONJSA-N -1 1 277.324 1.214 20 0 CDADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCOC2(CCC2)C1 ZINC000901271782 624090254 /nfs/dbraw/zinc/09/02/54/624090254.db2.gz WOBVFSVJXGBQOX-UHFFFAOYSA-N -1 1 289.335 1.455 20 0 CDADMM C[C@H](CC(=O)[O-])NC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC000901426477 624234300 /nfs/dbraw/zinc/23/43/00/624234300.db2.gz JAQMFMHISDZHSY-JGVFFNPUSA-N -1 1 265.313 1.128 20 0 CDADMM C[C@H]1CCc2n[nH]c(C(=O)NC(C)(C)CCC(=O)[O-])c2C1 ZINC000901445141 624256494 /nfs/dbraw/zinc/25/64/94/624256494.db2.gz MXCPSNUOGBIFKL-VIFPVBQESA-N -1 1 293.367 1.908 20 0 CDADMM CC(C)[C@@H](NC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C)C(=O)[O-] ZINC000901467311 624283765 /nfs/dbraw/zinc/28/37/65/624283765.db2.gz FXNDHKMLVNXHNK-JFUSQASVSA-N -1 1 279.340 1.301 20 0 CDADMM CCC[C@@H](NC(=O)c1cccc2nc(C)[nH]c21)C(=O)[O-] ZINC000901492645 624296644 /nfs/dbraw/zinc/29/66/44/624296644.db2.gz YKASTZBVNSOXDO-LLVKDONJSA-N -1 1 275.308 1.854 20 0 CDADMM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000901604263 624369062 /nfs/dbraw/zinc/36/90/62/624369062.db2.gz XEBFZMHSCFIGRJ-UOWDBTKRSA-N -1 1 291.282 1.429 20 0 CDADMM C[C@H](Cn1cncn1)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000901636057 624383607 /nfs/dbraw/zinc/38/36/07/624383607.db2.gz IYIQWYWLSLGVNS-PELKAZGASA-N -1 1 296.277 1.360 20 0 CDADMM CCCOCSc1nc([O-])cc(=O)n1CCOC ZINC000901653021 624393995 /nfs/dbraw/zinc/39/39/95/624393995.db2.gz KDUBKJRSCNUSKF-UHFFFAOYSA-N -1 1 274.342 1.072 20 0 CDADMM 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ZINC000913746251 630744473 /nfs/dbraw/zinc/74/44/73/630744473.db2.gz ZCLBZBLQOGDOSB-LLVKDONJSA-N -1 1 281.360 1.111 20 0 CDADMM O=C(NOCc1cccnc1)c1cc(F)ccc1[O-] ZINC000154115873 632047880 /nfs/dbraw/zinc/04/78/80/632047880.db2.gz BSLCLNKTFMYNKO-UHFFFAOYSA-N -1 1 262.240 1.788 20 0 CDADMM CC(C)[C@@H](NCC(=O)NCc1ccc(Cl)cc1)C(=O)[O-] ZINC000035391382 632066985 /nfs/dbraw/zinc/06/69/85/632066985.db2.gz LZIRNXGZGZMGQY-CYBMUJFWSA-N -1 1 298.770 1.655 20 0 CDADMM CC(C)[C@@H](NCC(=O)N(C)[C@H](C)c1ccccc1)C(=O)[O-] ZINC000035391813 632079135 /nfs/dbraw/zinc/07/91/35/632079135.db2.gz GHRLPVPOEBTJEH-IUODEOHRSA-N -1 1 292.379 1.905 20 0 CDADMM CC(F)(F)CCC(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000919291243 632553904 /nfs/dbraw/zinc/55/39/04/632553904.db2.gz PPUGXTMXUHZOFJ-UHFFFAOYSA-N -1 1 299.273 1.922 20 0 CDADMM COCCCC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000919359455 632571751 /nfs/dbraw/zinc/57/17/51/632571751.db2.gz JLBLTXDVNVQIOA-UHFFFAOYSA-N -1 1 292.287 1.968 20 0 CDADMM O=C(NC[C@H](O)c1ccncc1)c1ccc([O-])cc1F ZINC000154993443 632605206 /nfs/dbraw/zinc/60/52/06/632605206.db2.gz BYDUHZDYLDDCTM-ZDUSSCGKSA-N -1 1 276.267 1.390 20 0 CDADMM C[C@H]1COC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000921493299 632996711 /nfs/dbraw/zinc/99/67/11/632996711.db2.gz KXOQXMKYLSECKL-XVKPBYJWSA-N -1 1 277.292 1.278 20 0 CDADMM C[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000921499103 633017390 /nfs/dbraw/zinc/01/73/90/633017390.db2.gz RXJKMISXXVMYLV-RNFRBKRXSA-N -1 1 281.280 1.530 20 0 CDADMM Cc1cc(F)c(C(=O)Nc2c[n-][nH]c2=O)c(F)c1 ZINC001648815999 1158575482 /nfs/dbraw/zinc/57/54/82/1158575482.db2.gz HPSZILBTTPOZRK-UHFFFAOYSA-N -1 1 253.208 1.954 20 0 CDADMM O=C([O-])CCC(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000169814497 1158603269 /nfs/dbraw/zinc/60/32/69/1158603269.db2.gz PFSASVAEHXOGQZ-GFCCVEGCSA-N -1 1 262.309 1.024 20 0 CDADMM Cc1cc2ccnc(Nc3[n-]c(=O)nc4nc[nH]c43)c2[nH]1 ZINC001170226727 1162316376 /nfs/dbraw/zinc/31/63/76/1162316376.db2.gz RFZDTXNNYWMMFS-UHFFFAOYSA-N -1 1 281.279 1.987 20 0 CDADMM O=C(OCCOC1CCCCCC1)c1cn[n-]n1 ZINC000805606487 1162585401 /nfs/dbraw/zinc/58/54/01/1162585401.db2.gz XRKOXMMGIKQOER-UHFFFAOYSA-N -1 1 253.302 1.701 20 0 CDADMM C[C@@H](NC(=O)N=c1ccnc2n(C)[n-]cc1-2)C1CCC1 ZINC000806491223 1162683175 /nfs/dbraw/zinc/68/31/75/1162683175.db2.gz FRORZMWSTUIFFA-SECBINFHSA-N -1 1 273.340 1.652 20 0 CDADMM O=S(=O)([N-][C@H](CO)C1CCCCC1)C(F)F ZINC000395493161 1159578969 /nfs/dbraw/zinc/57/89/69/1159578969.db2.gz OHEVRLLMSDVJDI-MRVPVSSYSA-N -1 1 257.302 1.070 20 0 CDADMM CCCC[C@@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)C(C)C ZINC001604160851 1163111891 /nfs/dbraw/zinc/11/18/91/1163111891.db2.gz LNZNYEOQFOUZQM-SECBINFHSA-N -1 1 291.359 1.991 20 0 CDADMM CCCC[C@@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)C(C)C ZINC001604160851 1163111896 /nfs/dbraw/zinc/11/18/96/1163111896.db2.gz LNZNYEOQFOUZQM-SECBINFHSA-N -1 1 291.359 1.991 20 0 CDADMM C[C@@H](O)CC(=O)Oc1cc(O)cc([O-])c1Br ZINC001229099123 1160549305 /nfs/dbraw/zinc/54/93/05/1160549305.db2.gz JHGUTPUPHKWHMZ-RXMQYKEDSA-N -1 1 291.097 1.537 20 0 CDADMM O=C(NC[C@@H]1CCC[C@@H](O)C1)c1ccc([O-])cc1F ZINC000226270167 1160609795 /nfs/dbraw/zinc/60/97/95/1160609795.db2.gz CLJWKDNKBSAYAY-NXEZZACHSA-N -1 1 267.300 1.812 20 0 CDADMM CCc1cccc(Cn2ccnc2-c2nnn[n-]2)c1 ZINC001604531394 1163221653 /nfs/dbraw/zinc/22/16/53/1163221653.db2.gz IJOHPIWHXJEGKG-UHFFFAOYSA-N -1 1 254.297 1.674 20 0 CDADMM CCc1cccc(Cn2ccnc2-c2nn[n-]n2)c1 ZINC001604531394 1163221658 /nfs/dbraw/zinc/22/16/58/1163221658.db2.gz IJOHPIWHXJEGKG-UHFFFAOYSA-N -1 1 254.297 1.674 20 0 CDADMM CO[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)CC(C)C ZINC001605007666 1163413316 /nfs/dbraw/zinc/41/33/16/1163413316.db2.gz CSILVGCHJIXSLF-SECBINFHSA-N -1 1 277.332 1.130 20 0 CDADMM CO[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)CC(C)C ZINC001605007666 1163413322 /nfs/dbraw/zinc/41/33/22/1163413322.db2.gz CSILVGCHJIXSLF-SECBINFHSA-N -1 1 277.332 1.130 20 0 CDADMM COC[C@H](OC(=O)c1cc(-c2nnn[n-]2)oc1C)C1CC1 ZINC001605060359 1163436517 /nfs/dbraw/zinc/43/65/17/1163436517.db2.gz XOZWTKQPQOKLNO-NSHDSACASA-N -1 1 292.295 1.350 20 0 CDADMM COC[C@H](OC(=O)c1cc(-c2nn[n-]n2)oc1C)C1CC1 ZINC001605060359 1163436521 /nfs/dbraw/zinc/43/65/21/1163436521.db2.gz XOZWTKQPQOKLNO-NSHDSACASA-N -1 1 292.295 1.350 20 0 CDADMM CC/C=C(/C)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001605183398 1163480418 /nfs/dbraw/zinc/48/04/18/1163480418.db2.gz XCWIINIHNIJTFW-DKRCXCIFSA-N -1 1 268.357 1.350 20 0 CDADMM COc1cccc(Cn2c(C)c(C)nc2-c2nnn[n-]2)c1 ZINC001605319443 1163522682 /nfs/dbraw/zinc/52/26/82/1163522682.db2.gz BIZYCPPJOWCJSQ-UHFFFAOYSA-N -1 1 284.323 1.737 20 0 CDADMM COc1cccc(Cn2c(C)c(C)nc2-c2nn[n-]n2)c1 ZINC001605319443 1163522690 /nfs/dbraw/zinc/52/26/90/1163522690.db2.gz BIZYCPPJOWCJSQ-UHFFFAOYSA-N -1 1 284.323 1.737 20 0 CDADMM CCCN1CCCC[C@H]1C(=O)NCc1cc(C(=O)[O-])co1 ZINC001605325203 1163525733 /nfs/dbraw/zinc/52/57/33/1163525733.db2.gz SQFCNRMXYDRKQY-ZDUSSCGKSA-N -1 1 294.351 1.859 20 0 CDADMM Cn1c(Cl)cnc1C[N-]c1nnc(C(C)(C)O)o1 ZINC000811837078 1163540741 /nfs/dbraw/zinc/54/07/41/1163540741.db2.gz ZADZQCWCYMSIIW-UHFFFAOYSA-N -1 1 271.708 1.296 20 0 CDADMM CCN(C(=O)CCc1cnc[nH]1)c1ncc(C(=O)[O-])s1 ZINC001605395755 1163547185 /nfs/dbraw/zinc/54/71/85/1163547185.db2.gz HFNGMRHTOWBLQL-UHFFFAOYSA-N -1 1 294.336 1.550 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3C[C@H]3C2)c1 ZINC001605559634 1163609246 /nfs/dbraw/zinc/60/92/46/1163609246.db2.gz DFGSQLWTBDRFMT-UWVGGRQHSA-N -1 1 256.313 1.416 20 0 CDADMM Cc1[nH]nc(NCc2ccnc(C)c2)c1-c1nn[n-]n1 ZINC001605660561 1163636288 /nfs/dbraw/zinc/63/62/88/1163636288.db2.gz DSTIGFMHAVDLNT-UHFFFAOYSA-N -1 1 270.300 1.214 20 0 CDADMM Cc1cc(N2CCS[C@H](C)CC2)cc(-c2nnn[n-]2)n1 ZINC001605698216 1163644409 /nfs/dbraw/zinc/64/44/09/1163644409.db2.gz NVAWBMTYQCGJNH-SNVBAGLBSA-N -1 1 290.396 1.902 20 0 CDADMM Cc1cc(N2CCS[C@H](C)CC2)cc(-c2nn[n-]n2)n1 ZINC001605698216 1163644410 /nfs/dbraw/zinc/64/44/10/1163644410.db2.gz NVAWBMTYQCGJNH-SNVBAGLBSA-N -1 1 290.396 1.902 20 0 CDADMM Cc1ccc(C)c(CN(C)c2cc(-c3nnn[n-]3)ncn2)c1 ZINC001605829818 1163682060 /nfs/dbraw/zinc/68/20/60/1163682060.db2.gz PKSBFJZUMARCON-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccc(C)c(CN(C)c2cc(-c3nn[n-]n3)ncn2)c1 ZINC001605829818 1163682064 /nfs/dbraw/zinc/68/20/64/1163682064.db2.gz PKSBFJZUMARCON-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM CCc1nc(CN2C[C@H](C(=O)[O-])Oc3ccccc32)n[nH]1 ZINC001605851666 1163690261 /nfs/dbraw/zinc/69/02/61/1163690261.db2.gz JEWRGZZZOXZANJ-LLVKDONJSA-N -1 1 288.307 1.219 20 0 CDADMM Cc1ccc(N2CC[C@@]3(CCOC3)C2)nc1-c1nnn[n-]1 ZINC001605864374 1163695829 /nfs/dbraw/zinc/69/58/29/1163695829.db2.gz BEEIJQACAYCKAA-CQSZACIVSA-N -1 1 286.339 1.187 20 0 CDADMM Cc1ccc(N2CC[C@@]3(CCOC3)C2)nc1-c1nn[n-]n1 ZINC001605864374 1163695832 /nfs/dbraw/zinc/69/58/32/1163695832.db2.gz BEEIJQACAYCKAA-CQSZACIVSA-N -1 1 286.339 1.187 20 0 CDADMM Cc1nnsc1CNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001605875171 1163701812 /nfs/dbraw/zinc/70/18/12/1163701812.db2.gz ALRRJMBMMLUCFQ-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Cc1ccnc(CNC(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001605954407 1163725402 /nfs/dbraw/zinc/72/54/02/1163725402.db2.gz HFMWSZSUTVTVFU-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1ccnc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001605954407 1163725408 /nfs/dbraw/zinc/72/54/08/1163725408.db2.gz HFMWSZSUTVTVFU-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM CN(C)C1CN(C(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)C1 ZINC001606016381 1163744807 /nfs/dbraw/zinc/74/48/07/1163744807.db2.gz KBETUNCCQRAXKX-CJNGLKHVSA-N -1 1 288.347 1.017 20 0 CDADMM Cc1nn(C(C)C)cc1C=Cc1cnc(-c2nnn[n-]2)cn1 ZINC001606104814 1163774013 /nfs/dbraw/zinc/77/40/13/1163774013.db2.gz GPCXKYIUZOZEGT-SNAWJCMRSA-N -1 1 296.338 1.913 20 0 CDADMM Cc1nn(C(C)C)cc1C=Cc1cnc(-c2nn[n-]n2)cn1 ZINC001606104814 1163774016 /nfs/dbraw/zinc/77/40/16/1163774016.db2.gz GPCXKYIUZOZEGT-SNAWJCMRSA-N -1 1 296.338 1.913 20 0 CDADMM Cc1nsc(N2CCC=C(F)C2)c1-c1nn[n-]n1 ZINC001606144504 1163787808 /nfs/dbraw/zinc/78/78/08/1163787808.db2.gz GNEGYCNLYBODMU-UHFFFAOYSA-N -1 1 266.305 1.695 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@@H]1C(F)F ZINC001606166043 1163794940 /nfs/dbraw/zinc/79/49/40/1163794940.db2.gz MVZBZHZPOOHNPY-SSDOTTSWSA-N -1 1 283.238 1.248 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@@H]1C(F)F ZINC001606166043 1163794946 /nfs/dbraw/zinc/79/49/46/1163794946.db2.gz MVZBZHZPOOHNPY-SSDOTTSWSA-N -1 1 283.238 1.248 20 0 CDADMM Cc1onc(CC(=O)N[C@@H]2CC[C@@H](C)C2)c1-c1nnn[n-]1 ZINC001606180020 1163799491 /nfs/dbraw/zinc/79/94/91/1163799491.db2.gz VAGCCXXKIYPTNM-VXNVDRBHSA-N -1 1 290.327 1.010 20 0 CDADMM Cc1onc(CC(=O)N[C@@H]2CC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001606180020 1163799496 /nfs/dbraw/zinc/79/94/96/1163799496.db2.gz VAGCCXXKIYPTNM-VXNVDRBHSA-N -1 1 290.327 1.010 20 0 CDADMM Fc1ccc(C=CCNc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC001606316947 1163856302 /nfs/dbraw/zinc/85/63/02/1163856302.db2.gz OJDHNEOOEHFEIP-OWOJBTEDSA-N -1 1 285.286 1.854 20 0 CDADMM Fc1ccc(C=CCNc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC001606316947 1163856307 /nfs/dbraw/zinc/85/63/07/1163856307.db2.gz OJDHNEOOEHFEIP-OWOJBTEDSA-N -1 1 285.286 1.854 20 0 CDADMM O=C(C=Cc1ccc[nH]1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001606482128 1163914128 /nfs/dbraw/zinc/91/41/28/1163914128.db2.gz OACQJKZVLQAFSK-ARJAWSKDSA-N -1 1 296.290 1.346 20 0 CDADMM O=C(C=Cc1ccc[nH]1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001606482128 1163914131 /nfs/dbraw/zinc/91/41/31/1163914131.db2.gz OACQJKZVLQAFSK-ARJAWSKDSA-N -1 1 296.290 1.346 20 0 CDADMM O=C(NC[C@H]1CCCC1(F)F)c1coc(-c2nnn[n-]2)c1 ZINC001606726125 1163972545 /nfs/dbraw/zinc/97/25/45/1163972545.db2.gz ACNXOAMVZYBRCM-MRVPVSSYSA-N -1 1 297.265 1.625 20 0 CDADMM O=C(NC[C@H]1CCCC1(F)F)c1coc(-c2nn[n-]n2)c1 ZINC001606726125 1163972555 /nfs/dbraw/zinc/97/25/55/1163972555.db2.gz ACNXOAMVZYBRCM-MRVPVSSYSA-N -1 1 297.265 1.625 20 0 CDADMM O=C(NC[C@@H]1CCCCO1)c1csc(-c2nn[n-]n2)c1 ZINC001606729250 1163974201 /nfs/dbraw/zinc/97/42/01/1163974201.db2.gz LDWZAHDXNGFNGH-VIFPVBQESA-N -1 1 293.352 1.227 20 0 CDADMM O=C(NCCc1ccsc1)c1ccc(-c2nnn[n-]2)o1 ZINC001606796651 1163994995 /nfs/dbraw/zinc/99/49/95/1163994995.db2.gz VVHCKAHRWUJSJQ-UHFFFAOYSA-N -1 1 289.320 1.494 20 0 CDADMM COCc1nnc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])cs2)[n-]1 ZINC001606982639 1164049671 /nfs/dbraw/zinc/04/96/71/1164049671.db2.gz YGVGGWCBYBXGNE-ZETCQYMHSA-N -1 1 296.352 1.562 20 0 CDADMM O[C@@H]1CCCC[C@@H]1CCNc1ccnc(-c2nnn[n-]2)c1 ZINC001607108777 1164088884 /nfs/dbraw/zinc/08/88/84/1164088884.db2.gz WLIDISWKFDLIFY-ZWNOBZJWSA-N -1 1 288.355 1.615 20 0 CDADMM O[C@@H]1CCCC[C@@H]1CCNc1ccnc(-c2nn[n-]n2)c1 ZINC001607108777 1164088893 /nfs/dbraw/zinc/08/88/93/1164088893.db2.gz WLIDISWKFDLIFY-ZWNOBZJWSA-N -1 1 288.355 1.615 20 0 CDADMM c1c(N[C@@H]2CC23CC3)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001607113711 1164092846 /nfs/dbraw/zinc/09/28/46/1164092846.db2.gz DGTZOISFSMGTAF-SECBINFHSA-N -1 1 269.312 1.499 20 0 CDADMM c1c(N[C@@H]2CC23CC3)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001607113711 1164092855 /nfs/dbraw/zinc/09/28/55/1164092855.db2.gz DGTZOISFSMGTAF-SECBINFHSA-N -1 1 269.312 1.499 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3CSC[C@@H]3C2)c1 ZINC001607116739 1164095734 /nfs/dbraw/zinc/09/57/34/1164095734.db2.gz TYBWMILNWPHURR-ZJUUUORDSA-N -1 1 288.380 1.451 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3CSC[C@@H]3C2)c1 ZINC001607116739 1164095738 /nfs/dbraw/zinc/09/57/38/1164095738.db2.gz TYBWMILNWPHURR-ZJUUUORDSA-N -1 1 288.380 1.451 20 0 CDADMM c1cc(NCC(C2CCC2)C2CCC2)nc(-c2nn[n-]n2)n1 ZINC001607121603 1164104140 /nfs/dbraw/zinc/10/41/40/1164104140.db2.gz QTBJGLNNQYGTNL-UHFFFAOYSA-N -1 1 299.382 1.707 20 0 CDADMM c1cnc(N2CCCC3(CC3)CC2)c(-c2nnn[n-]2)n1 ZINC001607134728 1164114633 /nfs/dbraw/zinc/11/46/33/1164114633.db2.gz MLWMBQNYBKWMLF-UHFFFAOYSA-N -1 1 271.328 1.427 20 0 CDADMM c1cnc(N2CCCC3(CC3)CC2)c(-c2nn[n-]n2)n1 ZINC001607134728 1164114635 /nfs/dbraw/zinc/11/46/35/1164114635.db2.gz MLWMBQNYBKWMLF-UHFFFAOYSA-N -1 1 271.328 1.427 20 0 CDADMM Cc1cc(C(=O)N(C)[C@@H]2CN3CCC2CC3)oc1C(=O)[O-] ZINC001607568605 1164227716 /nfs/dbraw/zinc/22/77/16/1164227716.db2.gz KBLLITAAUVCVQA-LLVKDONJSA-N -1 1 292.335 1.452 20 0 CDADMM Cc1n[nH]nc1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC001607941144 1164346652 /nfs/dbraw/zinc/34/66/52/1164346652.db2.gz PTUZAKPTSUDAPR-NSHDSACASA-N -1 1 288.307 1.449 20 0 CDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1ccc(CF)cc1 ZINC001608485955 1164525514 /nfs/dbraw/zinc/52/55/14/1164525514.db2.gz JWAFXFDTMQHVLR-LBPRGKRZSA-N -1 1 291.282 1.305 20 0 CDADMM O=C([O-])[C@H](NC(=O)C(F)(F)C(F)F)c1ccsc1 ZINC001608543222 1164539035 /nfs/dbraw/zinc/53/90/35/1164539035.db2.gz JLKZFIKBHSEOMC-RXMQYKEDSA-N -1 1 285.218 1.890 20 0 CDADMM O=C([O-])[C@H](c1ccsc1)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001608560956 1164545754 /nfs/dbraw/zinc/54/57/54/1164545754.db2.gz GJTSKYANTCPCJT-TUAOUCFPSA-N -1 1 295.360 1.916 20 0 CDADMM O=C([O-])C1(C(=O)Nc2n[nH]c3cc(O)ccc32)CC1 ZINC001608566831 1164548350 /nfs/dbraw/zinc/54/83/50/1164548350.db2.gz AKLNVYGAJBTZEW-UHFFFAOYSA-N -1 1 261.237 1.072 20 0 CDADMM O=C([O-])C[C@]1(NCc2cn3cccc(F)c3n2)CCOC1 ZINC001608688486 1164604598 /nfs/dbraw/zinc/60/45/98/1164604598.db2.gz KJEXTXCOZLJZGT-CQSZACIVSA-N -1 1 293.298 1.197 20 0 CDADMM O=C([O-])C[C@@H]1C(=O)NCCN1C[C@@H]1C[C@H]1c1ccccc1 ZINC001608690628 1164606331 /nfs/dbraw/zinc/60/63/31/1164606331.db2.gz URARCXQUPSCZLE-MELADBBJSA-N -1 1 288.347 1.065 20 0 CDADMM O=C([O-])CNC(=O)[C@H]1CCCN1CCc1ccc(F)cc1 ZINC001608751465 1164628534 /nfs/dbraw/zinc/62/85/34/1164628534.db2.gz QBLVJNPIVHFFGX-CYBMUJFWSA-N -1 1 294.326 1.033 20 0 CDADMM O=C([O-])c1sccc1CN1CCc2cn[nH]c2C1 ZINC001609009052 1164721292 /nfs/dbraw/zinc/72/12/92/1164721292.db2.gz ZVNBGGPWXKBKPO-UHFFFAOYSA-N -1 1 263.322 1.728 20 0 CDADMM CN(C(=O)Cc1sc(N)nc1[O-])C1CCCCC1 ZINC000120862892 1164722556 /nfs/dbraw/zinc/72/25/56/1164722556.db2.gz YGLHMHBVZOXAQZ-SECBINFHSA-N -1 1 269.370 1.124 20 0 CDADMM CC(C)(NCc1nc(-c2nnn[n-]2)cs1)C(F)F ZINC001609084925 1164761309 /nfs/dbraw/zinc/76/13/09/1164761309.db2.gz LJIAAESBOCJEQT-UHFFFAOYSA-N -1 1 274.300 1.457 20 0 CDADMM CC(C)(NCc1nc(-c2nn[n-]n2)cs1)C(F)F ZINC001609084925 1164761316 /nfs/dbraw/zinc/76/13/16/1164761316.db2.gz LJIAAESBOCJEQT-UHFFFAOYSA-N -1 1 274.300 1.457 20 0 CDADMM C[C@H]1C[C@H]1c1ccc(CNc2cncc(-c3nnn[n-]3)n2)o1 ZINC001609159348 1164805285 /nfs/dbraw/zinc/80/52/85/1164805285.db2.gz LNSUGOGZLCHUOA-WCBMZHEXSA-N -1 1 297.322 1.985 20 0 CDADMM C[C@H]1C[C@H]1c1ccc(CNc2cncc(-c3nn[n-]n3)n2)o1 ZINC001609159348 1164805292 /nfs/dbraw/zinc/80/52/92/1164805292.db2.gz LNSUGOGZLCHUOA-WCBMZHEXSA-N -1 1 297.322 1.985 20 0 CDADMM C[C@H]1COCC[C@H]1Nc1cccnc1-c1nnn[n-]1 ZINC001609177416 1164819104 /nfs/dbraw/zinc/81/91/04/1164819104.db2.gz VUYXYVAFZXCXOK-DTWKUNHWSA-N -1 1 260.301 1.099 20 0 CDADMM C[C@H]1COCC[C@H]1Nc1cccnc1-c1nn[n-]n1 ZINC001609177416 1164819110 /nfs/dbraw/zinc/81/91/10/1164819110.db2.gz VUYXYVAFZXCXOK-DTWKUNHWSA-N -1 1 260.301 1.099 20 0 CDADMM CC[C@H](C)[C@@](C)(O)CNc1cccnc1-c1nnn[n-]1 ZINC001609183468 1164822583 /nfs/dbraw/zinc/82/25/83/1164822583.db2.gz CBNNWDWDLJCITC-ZANVPECISA-N -1 1 276.344 1.471 20 0 CDADMM CC[C@H](C)[C@@](C)(O)CNc1cccnc1-c1nn[n-]n1 ZINC001609183468 1164822593 /nfs/dbraw/zinc/82/25/93/1164822593.db2.gz CBNNWDWDLJCITC-ZANVPECISA-N -1 1 276.344 1.471 20 0 CDADMM CCC[C@]1(CO)CCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001609206508 1164844293 /nfs/dbraw/zinc/84/42/93/1164844293.db2.gz BVLPFXULSBNDEU-AWEZNQCLSA-N -1 1 288.355 1.251 20 0 CDADMM CCC[C@]1(CO)CCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001609206508 1164844295 /nfs/dbraw/zinc/84/42/95/1164844295.db2.gz BVLPFXULSBNDEU-AWEZNQCLSA-N -1 1 288.355 1.251 20 0 CDADMM CN(C)c1cccnc1CNc1cccnc1-c1nnn[n-]1 ZINC001609270164 1164873123 /nfs/dbraw/zinc/87/31/23/1164873123.db2.gz CAUBPTBRYHRXSU-UHFFFAOYSA-N -1 1 296.338 1.335 20 0 CDADMM CN(C)c1cccnc1CNc1cccnc1-c1nn[n-]n1 ZINC001609270164 1164873127 /nfs/dbraw/zinc/87/31/27/1164873127.db2.gz CAUBPTBRYHRXSU-UHFFFAOYSA-N -1 1 296.338 1.335 20 0 CDADMM CN(C)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)nc1 ZINC001609270523 1164874539 /nfs/dbraw/zinc/87/45/39/1164874539.db2.gz DMFXHBZJOHSIAB-UHFFFAOYSA-N -1 1 299.294 1.173 20 0 CDADMM COc1cccc(COc2cccnc2-c2nnn[n-]2)c1 ZINC001609361873 1164910558 /nfs/dbraw/zinc/91/05/58/1164910558.db2.gz CKDDCXKWZRADOT-UHFFFAOYSA-N -1 1 283.291 1.849 20 0 CDADMM COc1cccc(COc2cccnc2-c2nn[n-]n2)c1 ZINC001609361873 1164910562 /nfs/dbraw/zinc/91/05/62/1164910562.db2.gz CKDDCXKWZRADOT-UHFFFAOYSA-N -1 1 283.291 1.849 20 0 CDADMM Cc1cc(CN(C)c2ccnc(-c3nnn[n-]3)c2)no1 ZINC001609400127 1164928557 /nfs/dbraw/zinc/92/85/57/1164928557.db2.gz DLZOJXZMWBHHCK-UHFFFAOYSA-N -1 1 271.284 1.195 20 0 CDADMM Cc1cc(CN(C)c2ccnc(-c3nn[n-]n3)c2)no1 ZINC001609400127 1164928563 /nfs/dbraw/zinc/92/85/63/1164928563.db2.gz DLZOJXZMWBHHCK-UHFFFAOYSA-N -1 1 271.284 1.195 20 0 CDADMM Cc1cc(Cc2noc(-c3ccc(-c4nn[n-]n4)o3)n2)no1 ZINC001609403035 1164930987 /nfs/dbraw/zinc/93/09/87/1164930987.db2.gz LZXPJFHJPXOKCQ-UHFFFAOYSA-N -1 1 299.250 1.397 20 0 CDADMM Cc1cccc(CCNc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001609431476 1164943864 /nfs/dbraw/zinc/94/38/64/1164943864.db2.gz JYDYTXIUGFGKBU-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1cccc(CCNc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001609431476 1164943872 /nfs/dbraw/zinc/94/38/72/1164943872.db2.gz JYDYTXIUGFGKBU-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1ccc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)cc1F ZINC001609426735 1164944393 /nfs/dbraw/zinc/94/43/93/1164944393.db2.gz MWHGNZMUAIXWSG-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1ccc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)cc1F ZINC001609426735 1164944397 /nfs/dbraw/zinc/94/43/97/1164944397.db2.gz MWHGNZMUAIXWSG-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](O)[C@H](C)c1ccccc1F ZINC000868545127 1164960673 /nfs/dbraw/zinc/96/06/73/1164960673.db2.gz MQJKAOMVMHQOKX-KRTXAFLBSA-N -1 1 293.298 1.666 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCC=C(F)C1 ZINC001609566764 1164990006 /nfs/dbraw/zinc/99/00/06/1164990006.db2.gz DCYQHQKLFHVYBI-UHFFFAOYSA-N -1 1 289.274 1.353 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCC=C(F)C1 ZINC001609566764 1164990008 /nfs/dbraw/zinc/99/00/08/1164990008.db2.gz DCYQHQKLFHVYBI-UHFFFAOYSA-N -1 1 289.274 1.353 20 0 CDADMM c1ccc2c(c1)CC[C@H]2CNc1cc(-c2nnn[n-]2)ncn1 ZINC001609617750 1165012827 /nfs/dbraw/zinc/01/28/27/1165012827.db2.gz BPAGVDGSPQRXQG-NSHDSACASA-N -1 1 293.334 1.799 20 0 CDADMM c1ccc2c(c1)CC[C@H]2CNc1cc(-c2nn[n-]n2)ncn1 ZINC001609617750 1165012833 /nfs/dbraw/zinc/01/28/33/1165012833.db2.gz BPAGVDGSPQRXQG-NSHDSACASA-N -1 1 293.334 1.799 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NCc1noc2c1CCCC2 ZINC001609621128 1165017119 /nfs/dbraw/zinc/01/71/19/1165017119.db2.gz REUBGCZXEWBEPZ-UHFFFAOYSA-N -1 1 298.310 1.136 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NCc1noc2c1CCCC2 ZINC001609621128 1165017127 /nfs/dbraw/zinc/01/71/27/1165017127.db2.gz REUBGCZXEWBEPZ-UHFFFAOYSA-N -1 1 298.310 1.136 20 0 CDADMM C[C@](NC[C@H](O)C(F)(F)F)(C(=O)[O-])c1ccc(F)cc1 ZINC001609774258 1165074050 /nfs/dbraw/zinc/07/40/50/1165074050.db2.gz SOLAXXDUOZRSLV-GXSJLCMTSA-N -1 1 295.232 1.638 20 0 CDADMM COC(=O)c1cccc([C@@H](Sc2c[nH]nn2)C(=O)[O-])c1 ZINC001610218703 1165255425 /nfs/dbraw/zinc/25/54/25/1165255425.db2.gz QCFVFYYMFJZHSL-SNVBAGLBSA-N -1 1 293.304 1.509 20 0 CDADMM COC[C@](C)(NC[C@@H](O)c1cc2ccccc2o1)C(=O)[O-] ZINC001610244409 1165269937 /nfs/dbraw/zinc/26/99/37/1165269937.db2.gz QJIYVWVRTRRCOF-ABAIWWIYSA-N -1 1 293.319 1.546 20 0 CDADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(C)CCCCO ZINC001610486463 1165328904 /nfs/dbraw/zinc/32/89/04/1165328904.db2.gz AMZAXRVPWQPXTI-UHFFFAOYSA-N -1 1 294.351 1.336 20 0 CDADMM O=C([O-])C[C@]1(NCc2cccc(F)c2F)CCOC1 ZINC001610758555 1165431406 /nfs/dbraw/zinc/43/14/06/1165431406.db2.gz WWNZOJJQHOKOCV-CYBMUJFWSA-N -1 1 271.263 1.688 20 0 CDADMM CSc1ncc(C(=O)N[C@@H](C)C2CCC2)c(=O)[n-]1 ZINC001611012015 1165479143 /nfs/dbraw/zinc/47/91/43/1165479143.db2.gz GJCMTDOTMYCDBT-ZETCQYMHSA-N -1 1 267.354 1.823 20 0 CDADMM CC(=O)CC(C)(C)CC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000875632643 1165744035 /nfs/dbraw/zinc/74/40/35/1165744035.db2.gz GEXAWKQXMNFYMA-UHFFFAOYSA-N -1 1 288.351 1.676 20 0 CDADMM O=C(Nc1nncn1-c1ccccc1)c1ccc([O-])cn1 ZINC001623326125 1165765370 /nfs/dbraw/zinc/76/53/70/1165765370.db2.gz WUSVAAFXVUEIEU-UHFFFAOYSA-N -1 1 281.275 1.620 20 0 CDADMM CC(C)S(=O)(=O)[N-]c1cccc(Br)n1 ZINC000037657578 1165783442 /nfs/dbraw/zinc/78/34/42/1165783442.db2.gz HCVHJWORTFXQNX-UHFFFAOYSA-N -1 1 279.159 1.994 20 0 CDADMM CO[C@@H]1CCN(C(=O)c2ncccc2[O-])C[C@@H]1C ZINC001624490930 1165844076 /nfs/dbraw/zinc/84/40/76/1165844076.db2.gz ZTCIRJSWLTVFHM-GXSJLCMTSA-N -1 1 250.298 1.284 20 0 CDADMM CC[C@H](C)C(=O)OCC(=O)c1ccc([O-])cc1O ZINC000055337164 1167012112 /nfs/dbraw/zinc/01/21/12/1167012112.db2.gz WJGKEXBAHLRJES-QMMMGPOBSA-N -1 1 252.266 1.870 20 0 CDADMM C[C@H]1COCC[C@@H]1NC(=O)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155273514 1167112630 /nfs/dbraw/zinc/11/26/30/1167112630.db2.gz QCFZFKAZALUKSB-KWQFWETISA-N -1 1 275.308 1.423 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccn(C(F)F)n1 ZINC001641716722 1167132658 /nfs/dbraw/zinc/13/26/58/1167132658.db2.gz ZIFBSYXJZVAXGD-UHFFFAOYSA-N -1 1 257.200 1.268 20 0 CDADMM CN(C(=O)c1sccc1-n1cccc1)c1nn[n-]n1 ZINC001642427909 1167174844 /nfs/dbraw/zinc/17/48/44/1167174844.db2.gz SVQBVPDSOCLKEI-UHFFFAOYSA-N -1 1 274.309 1.329 20 0 CDADMM CNc1ccc(C(=O)N(C)c2nn[n-]n2)c(Cl)c1 ZINC001642431478 1167175341 /nfs/dbraw/zinc/17/53/41/1167175341.db2.gz XUPKWYYBIWGMEF-UHFFFAOYSA-N -1 1 266.692 1.171 20 0 CDADMM O=C(COC(=O)C1(O)CCCCC1)c1ccc([O-])cc1O ZINC001645520594 1167410468 /nfs/dbraw/zinc/41/04/68/1167410468.db2.gz FPLIQKCJOVPCAW-UHFFFAOYSA-N -1 1 294.303 1.519 20 0 CDADMM CO[C@H](C)CN(C)Cc1c(C)nn(CCC(=O)[O-])c1C ZINC001606661455 1167904738 /nfs/dbraw/zinc/90/47/38/1167904738.db2.gz MNMGHEVYHIUDLB-SNVBAGLBSA-N -1 1 283.372 1.441 20 0 CDADMM CCN(C)C(=O)[C@@H](NCc1ccoc1C(=O)[O-])C(C)C ZINC001609990316 1167981923 /nfs/dbraw/zinc/98/19/23/1167981923.db2.gz GUOXRSAOHDGKBG-NSHDSACASA-N -1 1 282.340 1.570 20 0 CDADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCCC[C@H]1CO ZINC001647408886 1168654925 /nfs/dbraw/zinc/65/49/25/1168654925.db2.gz JSEGQHVMGPRDGZ-JTQLQIEISA-N -1 1 277.324 1.047 20 0 CDADMM CC(C)[C@@H]1C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001574393368 1170966323 /nfs/dbraw/zinc/96/63/23/1170966323.db2.gz KMAATGHISDFSBH-IUCAKERBSA-N -1 1 275.312 1.482 20 0 CDADMM CC(C)[C@@H]1C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001574393368 1170966330 /nfs/dbraw/zinc/96/63/30/1170966330.db2.gz KMAATGHISDFSBH-IUCAKERBSA-N -1 1 275.312 1.482 20 0 CDADMM CN(C)c1ccccc1CNc1cncc(-c2nnn[n-]2)n1 ZINC001579000314 1172073419 /nfs/dbraw/zinc/07/34/19/1172073419.db2.gz UIFJTQMFHILHIX-UHFFFAOYSA-N -1 1 296.338 1.335 20 0 CDADMM CN(C)c1ccccc1CNc1cncc(-c2nn[n-]n2)n1 ZINC001579000314 1172073427 /nfs/dbraw/zinc/07/34/27/1172073427.db2.gz UIFJTQMFHILHIX-UHFFFAOYSA-N -1 1 296.338 1.335 20 0 CDADMM CN(Cc1cccn1C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001579262866 1172127550 /nfs/dbraw/zinc/12/75/50/1172127550.db2.gz NRBWBQLMYLZZEB-UHFFFAOYSA-N -1 1 286.295 1.070 20 0 CDADMM CN(Cc1cccn1C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001579262866 1172127558 /nfs/dbraw/zinc/12/75/58/1172127558.db2.gz NRBWBQLMYLZZEB-UHFFFAOYSA-N -1 1 286.295 1.070 20 0 CDADMM Cc1cccc(OCCNc2ncncc2-c2nn[n-]n2)c1 ZINC001581246861 1172601279 /nfs/dbraw/zinc/60/12/79/1172601279.db2.gz MDAGVXFMTJAKSI-UHFFFAOYSA-N -1 1 297.322 1.456 20 0 CDADMM Cc1coc(Sc2cc(-c3nnn[n-]3)nc(C)n2)n1 ZINC001581368480 1172606150 /nfs/dbraw/zinc/60/61/50/1172606150.db2.gz QDTHQDFOGVNVOZ-UHFFFAOYSA-N -1 1 275.297 1.413 20 0 CDADMM Cc1coc(Sc2cc(-c3nn[n-]n3)nc(C)n2)n1 ZINC001581368480 1172606156 /nfs/dbraw/zinc/60/61/56/1172606156.db2.gz QDTHQDFOGVNVOZ-UHFFFAOYSA-N -1 1 275.297 1.413 20 0 CDADMM c1cc(Sc2ncncc2-c2nnn[n-]2)ccn1 ZINC001582817636 1172698063 /nfs/dbraw/zinc/69/80/63/1172698063.db2.gz QQILKAHXYQOVOM-UHFFFAOYSA-N -1 1 257.282 1.203 20 0 CDADMM c1cc(Sc2ncncc2-c2nn[n-]n2)ccn1 ZINC001582817636 1172698069 /nfs/dbraw/zinc/69/80/69/1172698069.db2.gz QQILKAHXYQOVOM-UHFFFAOYSA-N -1 1 257.282 1.203 20 0 CDADMM CC(=Cc1ccco1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001588772670 1173104113 /nfs/dbraw/zinc/10/41/13/1173104113.db2.gz PVXNEBRPXCSVRC-HJWRWDBZSA-N -1 1 296.290 1.897 20 0 CDADMM CC(=Cc1ccco1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001588772670 1173104116 /nfs/dbraw/zinc/10/41/16/1173104116.db2.gz PVXNEBRPXCSVRC-HJWRWDBZSA-N -1 1 296.290 1.897 20 0 CDADMM CC(C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)=C1CCC1 ZINC001589011714 1173119804 /nfs/dbraw/zinc/11/98/04/1173119804.db2.gz JZRTXDSIKNMWOD-UHFFFAOYSA-N -1 1 299.338 1.906 20 0 CDADMM CC(C)(C)OC(=O)NOCc1ccc(-c2nnn[n-]2)o1 ZINC001589183523 1173128513 /nfs/dbraw/zinc/12/85/13/1173128513.db2.gz ACYHUFDNXBOGJU-UHFFFAOYSA-N -1 1 281.272 1.416 20 0 CDADMM CC(C)(C)OC(=O)NOCc1ccc(-c2nn[n-]n2)o1 ZINC001589183523 1173128517 /nfs/dbraw/zinc/12/85/17/1173128517.db2.gz ACYHUFDNXBOGJU-UHFFFAOYSA-N -1 1 281.272 1.416 20 0 CDADMM CC(C)(F)COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589312516 1173136518 /nfs/dbraw/zinc/13/65/18/1173136518.db2.gz JBJQINFWJORFRZ-UHFFFAOYSA-N -1 1 265.248 1.167 20 0 CDADMM CC(C)(F)COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589312516 1173136523 /nfs/dbraw/zinc/13/65/23/1173136523.db2.gz JBJQINFWJORFRZ-UHFFFAOYSA-N -1 1 265.248 1.167 20 0 CDADMM CC(C)[C@@H](O)C(C)(C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001589476730 1173148089 /nfs/dbraw/zinc/14/80/89/1173148089.db2.gz UYPNGTSCAGEVLR-LLVKDONJSA-N -1 1 291.359 1.112 20 0 CDADMM CC(C)[C@@H](O)C(C)(C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001589476730 1173148091 /nfs/dbraw/zinc/14/80/91/1173148091.db2.gz UYPNGTSCAGEVLR-LLVKDONJSA-N -1 1 291.359 1.112 20 0 CDADMM CC(C)/C=C\C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001589520600 1173154260 /nfs/dbraw/zinc/15/42/60/1173154260.db2.gz HJWJHQLSPHEVAO-UTCJRWHESA-N -1 1 262.269 1.715 20 0 CDADMM CC(C)c1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC001589768233 1173177298 /nfs/dbraw/zinc/17/72/98/1173177298.db2.gz TYBZJTDHYDUIIR-UHFFFAOYSA-N -1 1 297.322 1.457 20 0 CDADMM C[C@H](CC(C)(C)O)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001589797256 1173184409 /nfs/dbraw/zinc/18/44/09/1173184409.db2.gz YREZXEXUDINGQU-SSDOTTSWSA-N -1 1 296.762 1.877 20 0 CDADMM C[C@H](CC(C)(C)O)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001589797256 1173184414 /nfs/dbraw/zinc/18/44/14/1173184414.db2.gz YREZXEXUDINGQU-SSDOTTSWSA-N -1 1 296.762 1.877 20 0 CDADMM C[C@H](N(C)c1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001589911168 1173204066 /nfs/dbraw/zinc/20/40/66/1173204066.db2.gz BZWQZWXHEHYQIW-QMMMGPOBSA-N -1 1 261.333 1.528 20 0 CDADMM C[C@H](NCc1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC001589970963 1173219106 /nfs/dbraw/zinc/21/91/06/1173219106.db2.gz PYGVVRNNIREMCH-YFKPBYRVSA-N -1 1 277.275 1.969 20 0 CDADMM C[C@@H](c1ccccc1F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001590049612 1173241556 /nfs/dbraw/zinc/24/15/56/1173241556.db2.gz IWELVLQSZWGSKH-VIFPVBQESA-N -1 1 299.313 1.993 20 0 CDADMM C[C@@H](c1ccccc1F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001590049612 1173241560 /nfs/dbraw/zinc/24/15/60/1173241560.db2.gz IWELVLQSZWGSKH-VIFPVBQESA-N -1 1 299.313 1.993 20 0 CDADMM CC1(C)CC(CNC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590081834 1173248883 /nfs/dbraw/zinc/24/88/83/1173248883.db2.gz KYCPGVMZOXHMGU-UHFFFAOYSA-N -1 1 286.339 1.428 20 0 CDADMM CC1(C)CC(CNC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590081834 1173248889 /nfs/dbraw/zinc/24/88/89/1173248889.db2.gz KYCPGVMZOXHMGU-UHFFFAOYSA-N -1 1 286.339 1.428 20 0 CDADMM CC1(C)CC[C@@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590092280 1173255394 /nfs/dbraw/zinc/25/53/94/1173255394.db2.gz GHSYCPPLAPYYKF-VIFPVBQESA-N -1 1 287.327 1.572 20 0 CDADMM CC1(C)CC[C@@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590092280 1173255405 /nfs/dbraw/zinc/25/54/05/1173255405.db2.gz GHSYCPPLAPYYKF-VIFPVBQESA-N -1 1 287.327 1.572 20 0 CDADMM CC1(CC(=O)OCc2cccnc2-c2nnn[n-]2)CC1 ZINC001590123830 1173265456 /nfs/dbraw/zinc/26/54/56/1173265456.db2.gz VEONEYHQKBIXOO-UHFFFAOYSA-N -1 1 273.296 1.495 20 0 CDADMM CC1(CC(=O)OCc2cccnc2-c2nn[n-]n2)CC1 ZINC001590123830 1173265464 /nfs/dbraw/zinc/26/54/64/1173265464.db2.gz VEONEYHQKBIXOO-UHFFFAOYSA-N -1 1 273.296 1.495 20 0 CDADMM C[C@H]1[C@H](C(F)(F)F)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001590168075 1173282167 /nfs/dbraw/zinc/28/21/67/1173282167.db2.gz QHCBKUWQGMBTQZ-NKWVEPMBSA-N -1 1 299.260 1.434 20 0 CDADMM C[C@H]1[C@H](C(F)(F)F)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001590168075 1173282168 /nfs/dbraw/zinc/28/21/68/1173282168.db2.gz QHCBKUWQGMBTQZ-NKWVEPMBSA-N -1 1 299.260 1.434 20 0 CDADMM C[C@@H]1CC2(CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)CO1 ZINC001590222885 1173300132 /nfs/dbraw/zinc/30/01/32/1173300132.db2.gz LKUZOXSTCYWSIG-BGQFSCJGSA-N -1 1 287.327 1.026 20 0 CDADMM C[C@@H]1CC2(CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)CO1 ZINC001590222885 1173300140 /nfs/dbraw/zinc/30/01/40/1173300140.db2.gz LKUZOXSTCYWSIG-BGQFSCJGSA-N -1 1 287.327 1.026 20 0 CDADMM C[C@@H]1CC[C@H](C)CN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590226592 1173304922 /nfs/dbraw/zinc/30/49/22/1173304922.db2.gz DLLKFMNBQCSPPV-VHSXEESVSA-N -1 1 286.339 1.522 20 0 CDADMM C[C@@H]1CC[C@H](C)CN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590226592 1173304931 /nfs/dbraw/zinc/30/49/31/1173304931.db2.gz DLLKFMNBQCSPPV-VHSXEESVSA-N -1 1 286.339 1.522 20 0 CDADMM C[C@@H]1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590231257 1173306315 /nfs/dbraw/zinc/30/63/15/1173306315.db2.gz PWSDYKXRSPPECX-NXEZZACHSA-N -1 1 286.339 1.428 20 0 CDADMM C[C@@H]1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590231257 1173306322 /nfs/dbraw/zinc/30/63/22/1173306322.db2.gz PWSDYKXRSPPECX-NXEZZACHSA-N -1 1 286.339 1.428 20 0 CDADMM C[C@@H]1CC[C@H](Nc2ncncc2-c2nn[n-]n2)C[C@H]1C ZINC001590241330 1173313487 /nfs/dbraw/zinc/31/34/87/1173313487.db2.gz WATCYWSBPQBCPK-BBBLOLIVSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@H]1CCC[C@@H](NC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590244745 1173315776 /nfs/dbraw/zinc/31/57/76/1173315776.db2.gz QLYWFOGJNDGFKE-GXSJLCMTSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@H]1CCC[C@@H](NC(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590244745 1173315780 /nfs/dbraw/zinc/31/57/80/1173315780.db2.gz QLYWFOGJNDGFKE-GXSJLCMTSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@H]1CCCN1C(=O)c1ccsc1-c1nnn[n-]1 ZINC001590265724 1173327958 /nfs/dbraw/zinc/32/79/58/1173327958.db2.gz WHGDVEDVWRVFKN-ZETCQYMHSA-N -1 1 263.326 1.553 20 0 CDADMM C[C@H]1CCCN1C(=O)c1ccsc1-c1nn[n-]n1 ZINC001590265724 1173327965 /nfs/dbraw/zinc/32/79/65/1173327965.db2.gz WHGDVEDVWRVFKN-ZETCQYMHSA-N -1 1 263.326 1.553 20 0 CDADMM C[C@@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@H]1C ZINC001590294994 1173340574 /nfs/dbraw/zinc/34/05/74/1173340574.db2.gz ZMIKGQYHPQOJKL-SFYZADRCSA-N -1 1 273.300 1.134 20 0 CDADMM C[C@@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@H]1C ZINC001590294994 1173340581 /nfs/dbraw/zinc/34/05/81/1173340581.db2.gz ZMIKGQYHPQOJKL-SFYZADRCSA-N -1 1 273.300 1.134 20 0 CDADMM C[C@@H]1CO[C@@H](C)CN1C(=O)c1ccsc1-c1nnn[n-]1 ZINC001590300655 1173343688 /nfs/dbraw/zinc/34/36/88/1173343688.db2.gz XMHQZILVCSONHL-SFYZADRCSA-N -1 1 293.352 1.178 20 0 CDADMM C[C@@H]1CO[C@@H](C)CN1C(=O)c1ccsc1-c1nn[n-]n1 ZINC001590300655 1173343695 /nfs/dbraw/zinc/34/36/95/1173343695.db2.gz XMHQZILVCSONHL-SFYZADRCSA-N -1 1 293.352 1.178 20 0 CDADMM C[C@@H]1COCC[C@@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC001590321858 1173355348 /nfs/dbraw/zinc/35/53/48/1173355348.db2.gz CZJSWONELHNHRB-NXEZZACHSA-N -1 1 274.328 1.346 20 0 CDADMM C[C@@H]1COCC[C@@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC001590321858 1173355353 /nfs/dbraw/zinc/35/53/53/1173355353.db2.gz CZJSWONELHNHRB-NXEZZACHSA-N -1 1 274.328 1.346 20 0 CDADMM CC[C@@H](CC(F)F)C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001590425193 1173404479 /nfs/dbraw/zinc/40/44/79/1173404479.db2.gz GMGHHNVRSMMGCA-LURJTMIESA-N -1 1 299.285 1.518 20 0 CDADMM CC[C@@H]1C[C@@H](C)CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590502469 1173437312 /nfs/dbraw/zinc/43/73/12/1173437312.db2.gz AJRLCVARWWAOSJ-RKDXNWHRSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@@H]1C[C@@H](C)CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590502469 1173437316 /nfs/dbraw/zinc/43/73/16/1173437316.db2.gz AJRLCVARWWAOSJ-RKDXNWHRSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@H]1C[C@@H](C)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001590502884 1173440088 /nfs/dbraw/zinc/44/00/88/1173440088.db2.gz FPYCNCAQHRFFAF-BDAKNGLRSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@H]1C[C@@H](C)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001590502884 1173440093 /nfs/dbraw/zinc/44/00/93/1173440093.db2.gz FPYCNCAQHRFFAF-BDAKNGLRSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590511412 1173442126 /nfs/dbraw/zinc/44/21/26/1173442126.db2.gz KWONXNWMWRCAPR-VIFPVBQESA-N -1 1 275.312 1.864 20 0 CDADMM CC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590511412 1173442132 /nfs/dbraw/zinc/44/21/32/1173442132.db2.gz KWONXNWMWRCAPR-VIFPVBQESA-N -1 1 275.312 1.864 20 0 CDADMM CC[C@H]1CN(c2nc(-c3nnn[n-]3)ccc2C)C[C@@H](C)O1 ZINC001590524733 1173451080 /nfs/dbraw/zinc/45/10/80/1173451080.db2.gz RXXKRAMZWSOFNY-MNOVXSKESA-N -1 1 288.355 1.574 20 0 CDADMM CC[C@H]1CN(c2nc(-c3nn[n-]n3)ccc2C)C[C@@H](C)O1 ZINC001590524733 1173451082 /nfs/dbraw/zinc/45/10/82/1173451082.db2.gz RXXKRAMZWSOFNY-MNOVXSKESA-N -1 1 288.355 1.574 20 0 CDADMM CC[C@@H]1CN(c2nc(-c3nnn[n-]3)ccc2C)C[C@H](C)O1 ZINC001590524735 1173451312 /nfs/dbraw/zinc/45/13/12/1173451312.db2.gz RXXKRAMZWSOFNY-WDEREUQCSA-N -1 1 288.355 1.574 20 0 CDADMM CC[C@@H]1CN(c2nc(-c3nn[n-]n3)ccc2C)C[C@H](C)O1 ZINC001590524735 1173451316 /nfs/dbraw/zinc/45/13/16/1173451316.db2.gz RXXKRAMZWSOFNY-WDEREUQCSA-N -1 1 288.355 1.574 20 0 CDADMM CCC[C@@H](CNc1cncc(-c2nnn[n-]2)n1)OCC ZINC001590558829 1173462568 /nfs/dbraw/zinc/46/25/68/1173462568.db2.gz XKZRRXYQHBVYMQ-VIFPVBQESA-N -1 1 277.332 1.274 20 0 CDADMM CCC[C@@H](CNc1cncc(-c2nn[n-]n2)n1)OCC ZINC001590558829 1173462571 /nfs/dbraw/zinc/46/25/71/1173462571.db2.gz XKZRRXYQHBVYMQ-VIFPVBQESA-N -1 1 277.332 1.274 20 0 CDADMM CCN(C(=O)Nc1snc(C)c1-c1nnn[n-]1)C1CC1 ZINC001590672341 1173486720 /nfs/dbraw/zinc/48/67/20/1173486720.db2.gz SXOLFOSVKDGQHO-UHFFFAOYSA-N -1 1 293.356 1.648 20 0 CDADMM CCN(C(=O)Nc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001590672341 1173486726 /nfs/dbraw/zinc/48/67/26/1173486726.db2.gz SXOLFOSVKDGQHO-UHFFFAOYSA-N -1 1 293.356 1.648 20 0 CDADMM CCN(CC1CCC1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590690375 1173492043 /nfs/dbraw/zinc/49/20/43/1173492043.db2.gz NMSZKOXHJLZGBW-UHFFFAOYSA-N -1 1 286.339 1.524 20 0 CDADMM CCN(CC1CCC1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590690375 1173492057 /nfs/dbraw/zinc/49/20/57/1173492057.db2.gz NMSZKOXHJLZGBW-UHFFFAOYSA-N -1 1 286.339 1.524 20 0 CDADMM CCc1c[nH]c(Sc2cc(-c3nnn[n-]3)nc(C)n2)n1 ZINC001590875751 1173533516 /nfs/dbraw/zinc/53/35/16/1173533516.db2.gz RHNNQZZWIMNHAR-UHFFFAOYSA-N -1 1 288.340 1.402 20 0 CDADMM CCc1c[nH]c(Sc2cc(-c3nn[n-]n3)nc(C)n2)n1 ZINC001590875751 1173533522 /nfs/dbraw/zinc/53/35/22/1173533522.db2.gz RHNNQZZWIMNHAR-UHFFFAOYSA-N -1 1 288.340 1.402 20 0 CDADMM CCc1nc(N[C@@H]2CCCC[C@H]2F)cc(-c2nnn[n-]2)n1 ZINC001590922804 1173544659 /nfs/dbraw/zinc/54/46/59/1173544659.db2.gz QGIBTAMCMZHNCB-RKDXNWHRSA-N -1 1 291.334 1.912 20 0 CDADMM CCc1nc(N[C@@H]2CCCC[C@H]2F)cc(-c2nn[n-]n2)n1 ZINC001590922804 1173544664 /nfs/dbraw/zinc/54/46/64/1173544664.db2.gz QGIBTAMCMZHNCB-RKDXNWHRSA-N -1 1 291.334 1.912 20 0 CDADMM CCc1nocc1COC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590937011 1173547756 /nfs/dbraw/zinc/54/77/56/1173547756.db2.gz UPCGUGIJQSMKOP-UHFFFAOYSA-N -1 1 289.251 1.367 20 0 CDADMM CCc1nocc1COC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590937011 1173547768 /nfs/dbraw/zinc/54/77/68/1173547768.db2.gz UPCGUGIJQSMKOP-UHFFFAOYSA-N -1 1 289.251 1.367 20 0 CDADMM CN(CCc1ccc(F)cc1)c1cc(-c2nnn[n-]2)ncn1 ZINC001591119460 1173571890 /nfs/dbraw/zinc/57/18/90/1173571890.db2.gz OOZNIEMIQROEAL-UHFFFAOYSA-N -1 1 299.313 1.475 20 0 CDADMM CN(CCc1ccc(F)cc1)c1cc(-c2nn[n-]n2)ncn1 ZINC001591119460 1173571894 /nfs/dbraw/zinc/57/18/94/1173571894.db2.gz OOZNIEMIQROEAL-UHFFFAOYSA-N -1 1 299.313 1.475 20 0 CDADMM COC1CC(CCNc2cc(-c3nnn[n-]3)nc(C)n2)C1 ZINC001591348440 1173621803 /nfs/dbraw/zinc/62/18/03/1173621803.db2.gz MHHRNMCIPSRKFB-UHFFFAOYSA-N -1 1 289.343 1.192 20 0 CDADMM COC1CC(CCNc2cc(-c3nn[n-]n3)nc(C)n2)C1 ZINC001591348440 1173621805 /nfs/dbraw/zinc/62/18/05/1173621805.db2.gz MHHRNMCIPSRKFB-UHFFFAOYSA-N -1 1 289.343 1.192 20 0 CDADMM COCC(C)(C)CCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001591368510 1173632031 /nfs/dbraw/zinc/63/20/31/1173632031.db2.gz MDNIBIYMMXWVSE-UHFFFAOYSA-N -1 1 291.359 1.521 20 0 CDADMM COCC(C)(C)CCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001591368510 1173632035 /nfs/dbraw/zinc/63/20/35/1173632035.db2.gz MDNIBIYMMXWVSE-UHFFFAOYSA-N -1 1 291.359 1.521 20 0 CDADMM COC[C@H](CNc1cccnc1-c1nnn[n-]1)C(C)C ZINC001591378795 1173639718 /nfs/dbraw/zinc/63/97/18/1173639718.db2.gz ZYYUAQNOPFONKX-JTQLQIEISA-N -1 1 276.344 1.592 20 0 CDADMM COC[C@H](CNc1cccnc1-c1nn[n-]n1)C(C)C ZINC001591378795 1173639722 /nfs/dbraw/zinc/63/97/22/1173639722.db2.gz ZYYUAQNOPFONKX-JTQLQIEISA-N -1 1 276.344 1.592 20 0 CDADMM COCC1(CCNc2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001591388140 1173640288 /nfs/dbraw/zinc/64/02/88/1173640288.db2.gz UOPAAJVCODNOGV-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM COCC1(CCNc2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001591388140 1173640291 /nfs/dbraw/zinc/64/02/91/1173640291.db2.gz UOPAAJVCODNOGV-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM COCCC1(CNc2cccnc2-c2nnn[n-]2)CCC1 ZINC001591401277 1173648112 /nfs/dbraw/zinc/64/81/12/1173648112.db2.gz QJVFJZGGYUELAK-UHFFFAOYSA-N -1 1 288.355 1.880 20 0 CDADMM COCCC1(CNc2cccnc2-c2nn[n-]n2)CCC1 ZINC001591401277 1173648118 /nfs/dbraw/zinc/64/81/18/1173648118.db2.gz QJVFJZGGYUELAK-UHFFFAOYSA-N -1 1 288.355 1.880 20 0 CDADMM C[C@@H]1C[C@H]1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591753361 1173696838 /nfs/dbraw/zinc/69/68/38/1173696838.db2.gz UXCUXMFRXFNVSU-HZGVNTEJSA-N -1 1 261.260 1.144 20 0 CDADMM C[C@@H]1C[C@H]1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591753361 1173696840 /nfs/dbraw/zinc/69/68/40/1173696840.db2.gz UXCUXMFRXFNVSU-HZGVNTEJSA-N -1 1 261.260 1.144 20 0 CDADMM C[C@@]12CN(c3ccnc(-c4nnn[n-]4)c3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC001591760377 1173697415 /nfs/dbraw/zinc/69/74/15/1173697415.db2.gz RMDHBPQOXMDDCR-WNCDQNTKSA-N -1 1 294.362 1.910 20 0 CDADMM C[C@@]12CN(c3ccnc(-c4nn[n-]n4)c3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC001591760377 1173697418 /nfs/dbraw/zinc/69/74/18/1173697418.db2.gz RMDHBPQOXMDDCR-WNCDQNTKSA-N -1 1 294.362 1.910 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](C)S[C@@H](C)C2)n1 ZINC001591883796 1173736477 /nfs/dbraw/zinc/73/64/77/1173736477.db2.gz HCYUKMXLTXNUFM-IUCAKERBSA-N -1 1 291.384 1.295 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C)S[C@@H](C)C2)n1 ZINC001591883796 1173736473 /nfs/dbraw/zinc/73/64/73/1173736473.db2.gz HCYUKMXLTXNUFM-IUCAKERBSA-N -1 1 291.384 1.295 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCC[C@@H](C)O2)n1 ZINC001591895043 1173741785 /nfs/dbraw/zinc/74/17/85/1173741785.db2.gz OFGIZVZXXPWKPA-NXEZZACHSA-N -1 1 289.343 1.335 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCC[C@@H](C)O2)n1 ZINC001591895043 1173741791 /nfs/dbraw/zinc/74/17/91/1173741791.db2.gz OFGIZVZXXPWKPA-NXEZZACHSA-N -1 1 289.343 1.335 20 0 CDADMM Cc1cc(N[C@@H]2COC(C)(C)C2)nc(-c2nnn[n-]2)c1 ZINC001592040303 1173782270 /nfs/dbraw/zinc/78/22/70/1173782270.db2.gz VSHSDLWIHHKYHI-VIFPVBQESA-N -1 1 274.328 1.550 20 0 CDADMM Cc1cc(N[C@@H]2COC(C)(C)C2)nc(-c2nn[n-]n2)c1 ZINC001592040303 1173782274 /nfs/dbraw/zinc/78/22/74/1173782274.db2.gz VSHSDLWIHHKYHI-VIFPVBQESA-N -1 1 274.328 1.550 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@@H](C)[C@H](CO)C1 ZINC001592111026 1173802275 /nfs/dbraw/zinc/80/22/75/1173802275.db2.gz YOQLAKUJFKAGGE-KOLCDFICSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1C[C@@H]2CSC[C@@H]2C1 ZINC001592113817 1173805733 /nfs/dbraw/zinc/80/57/33/1173805733.db2.gz KRRIRTGGVZEDSK-AOOOYVTPSA-N -1 1 288.380 1.369 20 0 CDADMM Cc1ccc([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)s1 ZINC001592136174 1173812934 /nfs/dbraw/zinc/81/29/34/1173812934.db2.gz VSIYFJDNWIRUIY-QMMMGPOBSA-N -1 1 287.352 1.622 20 0 CDADMM Cc1ccc(C)c(Cn2cnc(-c3nn[n-]n3)cc2=O)c1 ZINC001592140921 1173813477 /nfs/dbraw/zinc/81/34/77/1173813477.db2.gz PZOXNLMXMCIXMU-UHFFFAOYSA-N -1 1 282.307 1.089 20 0 CDADMM Cc1ccc(Cn2ccn3ncc(-c4nn[n-]n4)c23)cc1C ZINC001592171797 1173820774 /nfs/dbraw/zinc/82/07/74/1173820774.db2.gz OWONEJSQAFLJKU-UHFFFAOYSA-N -1 1 293.334 1.981 20 0 CDADMM Cc1ccc(F)c(NC(=O)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001592172827 1173820840 /nfs/dbraw/zinc/82/08/40/1173820840.db2.gz BSPTUELKAMRACM-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1ccc(F)c(NC(=O)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001592172827 1173820847 /nfs/dbraw/zinc/82/08/47/1173820847.db2.gz BSPTUELKAMRACM-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1ccc(N2CCOC[C@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001592174804 1173823023 /nfs/dbraw/zinc/82/30/23/1173823023.db2.gz DDLBHIFFZCKNFF-SECBINFHSA-N -1 1 274.328 1.043 20 0 CDADMM Cc1ccc(N2CCOC[C@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001592174804 1173823026 /nfs/dbraw/zinc/82/30/26/1173823026.db2.gz DDLBHIFFZCKNFF-SECBINFHSA-N -1 1 274.328 1.043 20 0 CDADMM Cc1ccc(NCCCOC(C)C)c(-c2nnn[n-]2)n1 ZINC001592186451 1173830334 /nfs/dbraw/zinc/83/03/34/1173830334.db2.gz WCXQQDFBDMFGHK-UHFFFAOYSA-N -1 1 276.344 1.797 20 0 CDADMM Cc1ccc(NCCCOC(C)C)c(-c2nn[n-]n2)n1 ZINC001592186451 1173830340 /nfs/dbraw/zinc/83/03/40/1173830340.db2.gz WCXQQDFBDMFGHK-UHFFFAOYSA-N -1 1 276.344 1.797 20 0 CDADMM Cc1ccc(NCCc2cccc(O)c2)nc1-c1nnn[n-]1 ZINC001592185852 1173831191 /nfs/dbraw/zinc/83/11/91/1173831191.db2.gz OBNMLRNHPGYTRU-UHFFFAOYSA-N -1 1 296.334 1.930 20 0 CDADMM Cc1ccc(NCCc2cccc(O)c2)nc1-c1nn[n-]n1 ZINC001592185852 1173831195 /nfs/dbraw/zinc/83/11/95/1173831195.db2.gz OBNMLRNHPGYTRU-UHFFFAOYSA-N -1 1 296.334 1.930 20 0 CDADMM Cc1cccc(CCNC(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001592230174 1173837094 /nfs/dbraw/zinc/83/70/94/1173837094.db2.gz ZIZXPTNAVZJTSI-UHFFFAOYSA-N -1 1 297.318 1.741 20 0 CDADMM Cc1cccc(CCNC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001592230174 1173837101 /nfs/dbraw/zinc/83/71/01/1173837101.db2.gz ZIZXPTNAVZJTSI-UHFFFAOYSA-N -1 1 297.318 1.741 20 0 CDADMM Cc1ccccc1N(C)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001592258570 1173837932 /nfs/dbraw/zinc/83/79/32/1173837932.db2.gz DSWIZMBYHMUZCR-UHFFFAOYSA-N -1 1 294.318 1.847 20 0 CDADMM Cc1ccccc1N(C)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001592258570 1173837939 /nfs/dbraw/zinc/83/79/39/1173837939.db2.gz DSWIZMBYHMUZCR-UHFFFAOYSA-N -1 1 294.318 1.847 20 0 CDADMM Cc1[nH]nc(NC(=O)c2c[nH]cc2C2CC2)c1-c1nn[n-]n1 ZINC001592330670 1173856909 /nfs/dbraw/zinc/85/69/09/1173856909.db2.gz QMJOJGUREKFWBO-UHFFFAOYSA-N -1 1 298.310 1.356 20 0 CDADMM Cc1nc(NC[C@H]2CCC(C)(C)O2)cc(-c2nnn[n-]2)n1 ZINC001592388726 1173878171 /nfs/dbraw/zinc/87/81/71/1173878171.db2.gz YZWLBFUAYIXAIN-SECBINFHSA-N -1 1 289.343 1.335 20 0 CDADMM Cc1nc(NC[C@H]2CCC(C)(C)O2)cc(-c2nn[n-]n2)n1 ZINC001592388726 1173878177 /nfs/dbraw/zinc/87/81/77/1173878177.db2.gz YZWLBFUAYIXAIN-SECBINFHSA-N -1 1 289.343 1.335 20 0 CDADMM Cc1nc(Nc2cnn3c2CCCC3)cc(-c2nnn[n-]2)n1 ZINC001592398530 1173882140 /nfs/dbraw/zinc/88/21/40/1173882140.db2.gz HYBFCUUALONNMG-UHFFFAOYSA-N -1 1 297.326 1.242 20 0 CDADMM Cc1nc(Nc2cnn3c2CCCC3)cc(-c2nn[n-]n2)n1 ZINC001592398530 1173882149 /nfs/dbraw/zinc/88/21/49/1173882149.db2.gz HYBFCUUALONNMG-UHFFFAOYSA-N -1 1 297.326 1.242 20 0 CDADMM Cc1ncoc1-c1noc(-c2cccc(-c3nnn[n-]3)n2)n1 ZINC001592421359 1173888098 /nfs/dbraw/zinc/88/80/98/1173888098.db2.gz PPIVKFSRYVMURX-UHFFFAOYSA-N -1 1 296.250 1.275 20 0 CDADMM Cc1ncoc1-c1noc(-c2cccc(-c3nn[n-]n3)n2)n1 ZINC001592421359 1173888103 /nfs/dbraw/zinc/88/81/03/1173888103.db2.gz PPIVKFSRYVMURX-UHFFFAOYSA-N -1 1 296.250 1.275 20 0 CDADMM Cc1ncoc1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001592422270 1173888480 /nfs/dbraw/zinc/88/84/80/1173888480.db2.gz IMLQQSAMJFPYME-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1ncoc1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001592422270 1173888491 /nfs/dbraw/zinc/88/84/91/1173888491.db2.gz IMLQQSAMJFPYME-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1nocc1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001592466171 1173897175 /nfs/dbraw/zinc/89/71/75/1173897175.db2.gz NBXRMYVOQZBLJF-UHFFFAOYSA-N -1 1 288.242 1.555 20 0 CDADMM Cc1nocc1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001592466171 1173897182 /nfs/dbraw/zinc/89/71/82/1173897182.db2.gz NBXRMYVOQZBLJF-UHFFFAOYSA-N -1 1 288.242 1.555 20 0 CDADMM Cc1nsc(N2CCCCCO2)c1-c1nnn[n-]1 ZINC001592474826 1173899544 /nfs/dbraw/zinc/89/95/44/1173899544.db2.gz ZJIARWPZWRKVSK-UHFFFAOYSA-N -1 1 266.330 1.554 20 0 CDADMM Cc1nsc(N2CCCCCO2)c1-c1nn[n-]n1 ZINC001592474826 1173899550 /nfs/dbraw/zinc/89/95/50/1173899550.db2.gz ZJIARWPZWRKVSK-UHFFFAOYSA-N -1 1 266.330 1.554 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC(=O)[C@@H]1C[C@H]1C ZINC001592502829 1173907891 /nfs/dbraw/zinc/90/78/91/1173907891.db2.gz XUSDKPQXTBLFTA-HTRCEHHLSA-N -1 1 290.279 1.150 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC(=O)[C@@H]1C[C@H]1C ZINC001592502829 1173907894 /nfs/dbraw/zinc/90/78/94/1173907894.db2.gz XUSDKPQXTBLFTA-HTRCEHHLSA-N -1 1 290.279 1.150 20 0 CDADMM Cc1oncc1CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001592517598 1173911924 /nfs/dbraw/zinc/91/19/24/1173911924.db2.gz RLPTULHBKUOKPN-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cn1ccsc1=NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001592585345 1173921249 /nfs/dbraw/zinc/92/12/49/1173921249.db2.gz DQUOVBAAGGHMBM-UHFFFAOYSA-N -1 1 292.349 1.069 20 0 CDADMM Cn1ccsc1=NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001592585345 1173921251 /nfs/dbraw/zinc/92/12/51/1173921251.db2.gz DQUOVBAAGGHMBM-UHFFFAOYSA-N -1 1 292.349 1.069 20 0 CDADMM FC(F)(F)c1cc(-c2nnn[n-]2)nc(N2CCCO2)c1 ZINC001592617851 1173929931 /nfs/dbraw/zinc/92/99/31/1173929931.db2.gz DCRBSPHIRWYCKV-UHFFFAOYSA-N -1 1 286.217 1.422 20 0 CDADMM FC(F)(F)c1cc(-c2nn[n-]n2)nc(N2CCCO2)c1 ZINC001592617851 1173929938 /nfs/dbraw/zinc/92/99/38/1173929938.db2.gz DCRBSPHIRWYCKV-UHFFFAOYSA-N -1 1 286.217 1.422 20 0 CDADMM FC1(C2CC2)CCN(c2ncncc2-c2nn[n-]n2)CC1 ZINC001592627602 1173934634 /nfs/dbraw/zinc/93/46/34/1173934634.db2.gz KKZXBYOKGGNFKN-UHFFFAOYSA-N -1 1 289.318 1.375 20 0 CDADMM FC1(F)[C@H]2CCN(c3cccc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001592628270 1173935756 /nfs/dbraw/zinc/93/57/56/1173935756.db2.gz SZCNTJBXUPKWDO-JGVFFNPUSA-N -1 1 278.266 1.353 20 0 CDADMM FC1(F)[C@H]2CCN(c3cccc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001592628270 1173935773 /nfs/dbraw/zinc/93/57/73/1173935773.db2.gz SZCNTJBXUPKWDO-JGVFFNPUSA-N -1 1 278.266 1.353 20 0 CDADMM Fc1cccnc1NCc1nc(-c2nnn[n-]2)cs1 ZINC001592661071 1173958338 /nfs/dbraw/zinc/95/83/38/1173958338.db2.gz MBCRPFPVPJTVDX-UHFFFAOYSA-N -1 1 277.288 1.469 20 0 CDADMM Fc1cccnc1NCc1nc(-c2nn[n-]n2)cs1 ZINC001592661071 1173958342 /nfs/dbraw/zinc/95/83/42/1173958342.db2.gz MBCRPFPVPJTVDX-UHFFFAOYSA-N -1 1 277.288 1.469 20 0 CDADMM O=C(C[C@@H]1CC[C@H]2C[C@H]21)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001592821658 1173995530 /nfs/dbraw/zinc/99/55/30/1173995530.db2.gz WZUQHAZWIQOIBM-SDDRHHMPSA-N -1 1 299.334 1.741 20 0 CDADMM O=C(C[C@@H]1CC[C@H]2C[C@H]21)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001592821658 1173995534 /nfs/dbraw/zinc/99/55/34/1173995534.db2.gz WZUQHAZWIQOIBM-SDDRHHMPSA-N -1 1 299.334 1.741 20 0 CDADMM O=C(CCCC1CCCC1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592836941 1173996846 /nfs/dbraw/zinc/99/68/46/1173996846.db2.gz YMWGBGDIWHFCQL-UHFFFAOYSA-N -1 1 289.343 1.889 20 0 CDADMM O=C(Cc1ccoc1)OCc1cccnc1-c1nnn[n-]1 ZINC001592927711 1174003018 /nfs/dbraw/zinc/00/30/18/1174003018.db2.gz CCUQIFFOOUDURH-UHFFFAOYSA-N -1 1 285.263 1.141 20 0 CDADMM O=C(Cc1ccoc1)OCc1cccnc1-c1nn[n-]n1 ZINC001592927711 1174003027 /nfs/dbraw/zinc/00/30/27/1174003027.db2.gz CCUQIFFOOUDURH-UHFFFAOYSA-N -1 1 285.263 1.141 20 0 CDADMM O=C(N[C@@H]1C=CCCC1)c1coc(-c2nnn[n-]2)c1 ZINC001592965583 1174005744 /nfs/dbraw/zinc/00/57/44/1174005744.db2.gz MNYIPNXTACXLFI-SECBINFHSA-N -1 1 259.269 1.298 20 0 CDADMM O=C(N[C@@H]1C=CCCC1)c1coc(-c2nn[n-]n2)c1 ZINC001592965583 1174005747 /nfs/dbraw/zinc/00/57/47/1174005747.db2.gz MNYIPNXTACXLFI-SECBINFHSA-N -1 1 259.269 1.298 20 0 CDADMM O=C(NC(C1CC1)C1CC1)c1ccsc1-c1nnn[n-]1 ZINC001592948967 1174007113 /nfs/dbraw/zinc/00/71/13/1174007113.db2.gz VHAGCVSNXIXWKC-UHFFFAOYSA-N -1 1 289.364 1.847 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)OC1CCC1 ZINC001593136900 1174024043 /nfs/dbraw/zinc/02/40/43/1174024043.db2.gz YKPDLSZHBXXSKW-UHFFFAOYSA-N -1 1 279.325 1.707 20 0 CDADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)C12CC(C1)C2 ZINC001593297445 1174057364 /nfs/dbraw/zinc/05/73/64/1174057364.db2.gz JJKFVNVELZKORH-UHFFFAOYSA-N -1 1 260.253 1.303 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC2(C1)CCCC2 ZINC001593347789 1174067970 /nfs/dbraw/zinc/06/79/70/1174067970.db2.gz GPQPEADVVNVHTK-UHFFFAOYSA-N -1 1 284.323 1.278 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC2(C1)CCCC2 ZINC001593347789 1174067973 /nfs/dbraw/zinc/06/79/73/1174067973.db2.gz GPQPEADVVNVHTK-UHFFFAOYSA-N -1 1 284.323 1.278 20 0 CDADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC[C@@H](CF)C1 ZINC001593361952 1174072083 /nfs/dbraw/zinc/07/20/83/1174072083.db2.gz CSFSYFQJCJTUFM-QMMMGPOBSA-N -1 1 295.343 1.750 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001593493133 1174086245 /nfs/dbraw/zinc/08/62/45/1174086245.db2.gz ZOONETUHWTZFFR-AXFHLTTASA-N -1 1 269.308 1.241 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1CC=C(Cl)Cl ZINC001593493453 1174088048 /nfs/dbraw/zinc/08/80/48/1174088048.db2.gz IALXHSQPGDKZJH-UHFFFAOYSA-N -1 1 272.095 1.347 20 0 CDADMM Oc1ccc2c(c1)[C@H](Nc1cncc(-c3nnn[n-]3)n1)CC2 ZINC001593540399 1174112600 /nfs/dbraw/zinc/11/26/00/1174112600.db2.gz UUEDTITVDUOEAX-LLVKDONJSA-N -1 1 295.306 1.462 20 0 CDADMM Oc1ccc2c(c1)[C@H](Nc1cncc(-c3nn[n-]n3)n1)CC2 ZINC001593540399 1174112606 /nfs/dbraw/zinc/11/26/06/1174112606.db2.gz UUEDTITVDUOEAX-LLVKDONJSA-N -1 1 295.306 1.462 20 0 CDADMM c1nc(-c2nn[n-]n2)nn1CC[C@@H]1CCc2ccccc21 ZINC001593581116 1174148301 /nfs/dbraw/zinc/14/83/01/1174148301.db2.gz LQWIMLUYQYFRMM-NSHDSACASA-N -1 1 281.323 1.578 20 0 CDADMM c1cncc([C@@H]2CCCN2c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001593587175 1174151996 /nfs/dbraw/zinc/15/19/96/1174151996.db2.gz CRKLSEQRWYFAMV-AWEZNQCLSA-N -1 1 293.334 1.998 20 0 CDADMM c1cncc([C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001593587175 1174151998 /nfs/dbraw/zinc/15/19/98/1174151998.db2.gz CRKLSEQRWYFAMV-AWEZNQCLSA-N -1 1 293.334 1.998 20 0 CDADMM c1cc(CSc2cccnc2-c2nnn[n-]2)n[nH]1 ZINC001593584867 1174152036 /nfs/dbraw/zinc/15/20/36/1174152036.db2.gz PQDGYWVSZZYFPV-UHFFFAOYSA-N -1 1 259.298 1.277 20 0 CDADMM c1cc(CSc2cccnc2-c2nn[n-]n2)n[nH]1 ZINC001593584867 1174152039 /nfs/dbraw/zinc/15/20/39/1174152039.db2.gz PQDGYWVSZZYFPV-UHFFFAOYSA-N -1 1 259.298 1.277 20 0 CDADMM c1snnc1CSc1cccnc1-c1nnn[n-]1 ZINC001593585375 1174153299 /nfs/dbraw/zinc/15/32/99/1174153299.db2.gz RTLQZYPNUNKTAX-UHFFFAOYSA-N -1 1 277.338 1.406 20 0 CDADMM c1snnc1CSc1cccnc1-c1nn[n-]n1 ZINC001593585375 1174153304 /nfs/dbraw/zinc/15/33/04/1174153304.db2.gz RTLQZYPNUNKTAX-UHFFFAOYSA-N -1 1 277.338 1.406 20 0 CDADMM c1cnc2c(c1)CN(c1ccnc(-c3nnn[n-]3)c1)CCO2 ZINC001593588293 1174156101 /nfs/dbraw/zinc/15/61/01/1174156101.db2.gz TULCOXJSLHLHJJ-UHFFFAOYSA-N -1 1 295.306 1.056 20 0 CDADMM c1cnc2c(c1)CN(c1ccnc(-c3nn[n-]n3)c1)CCO2 ZINC001593588293 1174156104 /nfs/dbraw/zinc/15/61/04/1174156104.db2.gz TULCOXJSLHLHJJ-UHFFFAOYSA-N -1 1 295.306 1.056 20 0 CDADMM Cc1c(C(=O)Nc2cnn(CC(=O)[O-])c2)ccc2cncn21 ZINC001599985174 1174329438 /nfs/dbraw/zinc/32/94/38/1174329438.db2.gz KJLKRMYFQCJGPU-UHFFFAOYSA-N -1 1 299.290 1.176 20 0 CDADMM Cc1cc(CN)oc1C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001600192387 1174397637 /nfs/dbraw/zinc/39/76/37/1174397637.db2.gz XWFDNEYXEIXDLU-UHFFFAOYSA-N -1 1 294.351 1.812 20 0 CDADMM Cc1ccccc1[C@@H](C(=O)[O-])N1CC[C@@](O)(C(F)F)C1 ZINC001600567363 1174508734 /nfs/dbraw/zinc/50/87/34/1174508734.db2.gz MJPIDMCYUDHAHX-FZMZJTMJSA-N -1 1 285.290 1.823 20 0 CDADMM Cc1ccnc(CN2CC[C@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC001600599771 1174521826 /nfs/dbraw/zinc/52/18/26/1174521826.db2.gz DIALOZWMJKUUKY-LBPRGKRZSA-N -1 1 287.323 1.127 20 0 CDADMM Cc1cnc(C(=O)Nc2cccc(CC(=O)[O-])c2)c(O)c1 ZINC001600617181 1174531996 /nfs/dbraw/zinc/53/19/96/1174531996.db2.gz WFMSQHQCUJFAQG-UHFFFAOYSA-N -1 1 286.287 1.975 20 0 CDADMM Cc1nnsc1[C@H](C)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001600802609 1174617548 /nfs/dbraw/zinc/61/75/48/1174617548.db2.gz KHVMFMSLIWQJEM-RBXMUDONSA-N -1 1 253.327 1.170 20 0 CDADMM Cc1nnsc1CN[C@@H](CC(F)(F)F)C(=O)[O-] ZINC001600802936 1174618978 /nfs/dbraw/zinc/61/89/78/1174618978.db2.gz PUCJBKJRYKABOZ-YFKPBYRVSA-N -1 1 269.248 1.342 20 0 CDADMM Cc1oc(CNC(=O)[C@H](N)c2ccccc2)cc1C(=O)[O-] ZINC001600850934 1174642476 /nfs/dbraw/zinc/64/24/76/1174642476.db2.gz HEADIWZHLLMARD-CYBMUJFWSA-N -1 1 288.303 1.602 20 0 CDADMM C[C@H]1C[C@H](C)CN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC000103593536 1174682496 /nfs/dbraw/zinc/68/24/96/1174682496.db2.gz DOXMMAGQNORGMK-UWVGGRQHSA-N -1 1 258.329 1.744 20 0 CDADMM C[C@H]1C[C@H](C)CN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC000103593536 1174682498 /nfs/dbraw/zinc/68/24/98/1174682498.db2.gz DOXMMAGQNORGMK-UWVGGRQHSA-N -1 1 258.329 1.744 20 0 CDADMM N[C@H](Cc1cc2ccccc2o1)C(=O)NC1(C(=O)[O-])CC1 ZINC001601175405 1174773025 /nfs/dbraw/zinc/77/30/25/1174773025.db2.gz CYUIRUYBMVXVFD-LLVKDONJSA-N -1 1 288.303 1.036 20 0 CDADMM O=C([O-])[C@H](CNC(=O)CCN1CC[C@@H](F)C1)CC1CC1 ZINC001601274404 1174820641 /nfs/dbraw/zinc/82/06/41/1174820641.db2.gz DSPLGSBZBDLTIP-NWDGAFQWSA-N -1 1 286.347 1.037 20 0 CDADMM O=C([O-])[C@@H](C[C@H]1CCCO1)NCC(=O)Nc1ccccc1 ZINC001601324568 1174832832 /nfs/dbraw/zinc/83/28/32/1174832832.db2.gz BQJHGVWOVNCFTP-CHWSQXEVSA-N -1 1 292.335 1.237 20 0 CDADMM O=C([O-])c1ccc(NC(=O)c2cnc3nc[nH]c3c2)cn1 ZINC001601601151 1174911170 /nfs/dbraw/zinc/91/11/70/1174911170.db2.gz OEUHFCYHXSELEI-UHFFFAOYSA-N -1 1 283.247 1.303 20 0 CDADMM O=C([O-])[C@]1(F)CCN(Cc2cccc(-n3cccn3)c2)C1 ZINC001601716731 1174964551 /nfs/dbraw/zinc/96/45/51/1174964551.db2.gz DPBWNHLZKHHWJA-HNNXBMFYSA-N -1 1 289.310 1.871 20 0 CDADMM O=C([O-])[C@@]1(F)CCN(c2nc(Cl)nc3[nH]cnc32)C1 ZINC001601720227 1174967615 /nfs/dbraw/zinc/96/76/15/1174967615.db2.gz OXFWNMTXHRBXHQ-SNVBAGLBSA-N -1 1 285.666 1.009 20 0 CDADMM O=C([O-])[C@H]1[C@H](O)CCCN1Cc1coc2ccccc12 ZINC001601752898 1174987287 /nfs/dbraw/zinc/98/72/87/1174987287.db2.gz KXNAAXYTZWUSOX-TZMCWYRMSA-N -1 1 275.304 1.843 20 0 CDADMM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1CN(Cc2ccsc2)C1 ZINC001601784387 1175005029 /nfs/dbraw/zinc/00/50/29/1175005029.db2.gz VTMXUJJWOIHIKZ-RYUDHWBXSA-N -1 1 294.376 1.017 20 0 CDADMM O=C([O-])C1CN(C(=O)c2c(Cl)[nH]nc2C2CC2)C1 ZINC001601844837 1175032931 /nfs/dbraw/zinc/03/29/31/1175032931.db2.gz GFCSNKCOCZZKLH-UHFFFAOYSA-N -1 1 269.688 1.097 20 0 CDADMM O=C([O-])CC1(NC(=O)c2cc3[nH]cnc3cc2F)CC1 ZINC001601930143 1175070693 /nfs/dbraw/zinc/07/06/93/1175070693.db2.gz WSMXYBAYPFWEPN-UHFFFAOYSA-N -1 1 277.255 1.439 20 0 CDADMM O=C([O-])Cn1cc(CN2CCCC3(CCCC3)C2)nn1 ZINC001602162475 1175148269 /nfs/dbraw/zinc/14/82/69/1175148269.db2.gz DBLQOKLEXRIQCI-UHFFFAOYSA-N -1 1 278.356 1.519 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(Cn3ccc(-c4ccsc4)n3)C[C@@H]21 ZINC001602207133 1175166222 /nfs/dbraw/zinc/16/62/22/1175166222.db2.gz RZMDANDZWGXTEW-PJXYFTJBSA-N -1 1 289.360 1.832 20 0 CDADMM O=C([O-])c1cc(C(=O)NC[C@@H]2CCCCN2C2CC2)on1 ZINC001602246377 1175179927 /nfs/dbraw/zinc/17/99/27/1175179927.db2.gz WPWAOBDVLIJWEU-JTQLQIEISA-N -1 1 293.323 1.120 20 0 CDADMM O=C([O-])c1ccc2c(c1)N(C(=O)c1cnncc1O)CCC2 ZINC001602424483 1175235357 /nfs/dbraw/zinc/23/53/57/1175235357.db2.gz FMDMHUMOCASEGO-UHFFFAOYSA-N -1 1 299.286 1.473 20 0 CDADMM O=C([O-])c1cnc(CN2CCC[C@]3(CCSC3)C2)cn1 ZINC001602520743 1175269370 /nfs/dbraw/zinc/26/93/70/1175269370.db2.gz XHQDSZIBCVPCFK-AWEZNQCLSA-N -1 1 293.392 1.894 20 0 CDADMM O=C([O-])c1cnc(N[C@H](c2nnc[nH]2)c2ccccc2)cn1 ZINC001602531413 1175274948 /nfs/dbraw/zinc/27/49/48/1175274948.db2.gz YOKGNSWZOUNHRF-LBPRGKRZSA-N -1 1 296.290 1.494 20 0 CDADMM O=C([O-])c1cnc(N[C@@H](c2nnc[nH]2)c2ccccc2)cn1 ZINC001602531412 1175274987 /nfs/dbraw/zinc/27/49/87/1175274987.db2.gz YOKGNSWZOUNHRF-GFCCVEGCSA-N -1 1 296.290 1.494 20 0 CDADMM O=C([O-])c1cnoc1CN1CCSC[C@H]1C1CC1 ZINC001602546576 1175285386 /nfs/dbraw/zinc/28/53/86/1175285386.db2.gz TVHMEOQQULMXBS-JTQLQIEISA-N -1 1 268.338 1.700 20 0 CDADMM O=C([O-])c1coc(CNCc2n[nH]c([C@H]3CCCO3)n2)c1 ZINC001602556466 1175295905 /nfs/dbraw/zinc/29/59/05/1175295905.db2.gz NIUUGODLYYPLQC-SNVBAGLBSA-N -1 1 292.295 1.237 20 0 CDADMM O=C([O-])c1ncn(CN2CC[C@@]3(CCc4ccccc43)C2)n1 ZINC001602580252 1175306151 /nfs/dbraw/zinc/30/61/51/1175306151.db2.gz OTOONIGIHGQEPG-INIZCTEOSA-N -1 1 298.346 1.524 20 0 CDADMM CC(=O)[C@@H](C)CCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001602912547 1175449746 /nfs/dbraw/zinc/44/97/46/1175449746.db2.gz UPSFHTKRBHGCLT-ZETCQYMHSA-N -1 1 294.336 1.700 20 0 CDADMM CC(=O)[C@@H](C)CCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001602912547 1175449763 /nfs/dbraw/zinc/44/97/63/1175449763.db2.gz UPSFHTKRBHGCLT-ZETCQYMHSA-N -1 1 294.336 1.700 20 0 CDADMM CC(=O)O[C@H](C)Sc1cccnc1-c1nnn[n-]1 ZINC001602955842 1175458417 /nfs/dbraw/zinc/45/84/17/1175458417.db2.gz HBJWPPLABIAKQS-ZETCQYMHSA-N -1 1 265.298 1.263 20 0 CDADMM CC(=O)O[C@H](C)Sc1cccnc1-c1nn[n-]n1 ZINC001602955842 1175458419 /nfs/dbraw/zinc/45/84/19/1175458419.db2.gz HBJWPPLABIAKQS-ZETCQYMHSA-N -1 1 265.298 1.263 20 0 CDADMM CC(C)(/C=C/Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001603135509 1175499102 /nfs/dbraw/zinc/49/91/02/1175499102.db2.gz PTSOUZOEISGQOI-ONEGZZNKSA-N -1 1 265.708 1.600 20 0 CDADMM CC(C)(/C=C/Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001603135509 1175499105 /nfs/dbraw/zinc/49/91/05/1175499105.db2.gz PTSOUZOEISGQOI-ONEGZZNKSA-N -1 1 265.708 1.600 20 0 CDADMM CC(C)[C@H]1CCCN1Cn1cccc(-c2nnn[n-]2)c1=O ZINC001603246356 1175526457 /nfs/dbraw/zinc/52/64/57/1175526457.db2.gz QFVGQOYDJTYEAR-GFCCVEGCSA-N -1 1 288.355 1.106 20 0 CDADMM CC(C)[C@H]1CCCN1Cn1cccc(-c2nn[n-]n2)c1=O ZINC001603246356 1175526460 /nfs/dbraw/zinc/52/64/60/1175526460.db2.gz QFVGQOYDJTYEAR-GFCCVEGCSA-N -1 1 288.355 1.106 20 0 CDADMM CC(C)c1nccc(Oc2cccnc2-c2nnn[n-]2)n1 ZINC001603413705 1175551678 /nfs/dbraw/zinc/55/16/78/1175551678.db2.gz DWHMNMMKOJUUNJ-UHFFFAOYSA-N -1 1 283.295 1.967 20 0 CDADMM CC(C)c1nccc(Oc2cccnc2-c2nn[n-]n2)n1 ZINC001603413705 1175551685 /nfs/dbraw/zinc/55/16/85/1175551685.db2.gz DWHMNMMKOJUUNJ-UHFFFAOYSA-N -1 1 283.295 1.967 20 0 CDADMM CC(F)(F)COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001603595312 1175575069 /nfs/dbraw/zinc/57/50/69/1175575069.db2.gz 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1175662494 /nfs/dbraw/zinc/66/24/94/1175662494.db2.gz KUUIVZBAHJUQBE-KATARQTJSA-N -1 1 287.323 1.482 20 0 CDADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603870794 1175662497 /nfs/dbraw/zinc/66/24/97/1175662497.db2.gz KUUIVZBAHJUQBE-KATARQTJSA-N -1 1 287.323 1.482 20 0 CDADMM C[C@H]1CCCC[C@@H]1N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001603889364 1175672409 /nfs/dbraw/zinc/67/24/09/1175672409.db2.gz ALCJHCRPVCKFLY-UWVGGRQHSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1CCCC[C@@H]1N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001603889366 1175673241 /nfs/dbraw/zinc/67/32/41/1175673241.db2.gz ALCJHCRPVCKFLY-ZJUUUORDSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@H]1Cc2n[nH]cc2CN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001603949178 1175695157 /nfs/dbraw/zinc/69/51/57/1175695157.db2.gz YEHJIPHCQVYDNU-VIFPVBQESA-N -1 1 296.338 1.184 20 0 CDADMM CC=C(C=CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)CC ZINC001603963319 1175700139 /nfs/dbraw/zinc/70/01/39/1175700139.db2.gz QEXQWMZXTWOSOL-ZDSYRHETSA-N -1 1 273.300 1.441 20 0 CDADMM 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/nfs/dbraw/zinc/16/14/45/605161445.db2.gz IAFDBVXJHFLWNQ-LLVKDONJSA-N -1 1 268.357 1.184 20 0 CDADMM C[C@@H]1CN(C(=O)C(C)(C)C)CCN1CCC(=O)[O-] ZINC000833618479 605256151 /nfs/dbraw/zinc/25/61/51/605256151.db2.gz OPHQUSQAVSBIER-SNVBAGLBSA-N -1 1 256.346 1.040 20 0 CDADMM C[C@H]1C[C@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])C[C@@H](C)C1 ZINC000833587229 605720495 /nfs/dbraw/zinc/72/04/95/605720495.db2.gz AMXKDXBIWJSGOK-WGBDABJCSA-N -1 1 293.367 1.594 20 0 CDADMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@H]2CCCOC2)n1 ZINC000822427785 606183127 /nfs/dbraw/zinc/18/31/27/606183127.db2.gz UTEXXRQHERVISZ-VIFPVBQESA-N -1 1 292.368 1.545 20 0 CDADMM C[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)[C@@H](C)CO1 ZINC000820778948 606449405 /nfs/dbraw/zinc/44/94/05/606449405.db2.gz ZFBSBKQQNCSEGA-YUMQZZPRSA-N -1 1 294.746 1.529 20 0 CDADMM C[C@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)[C@@H](C)CO1 ZINC000820778948 606449407 /nfs/dbraw/zinc/44/94/07/606449407.db2.gz ZFBSBKQQNCSEGA-YUMQZZPRSA-N -1 1 294.746 1.529 20 0 CDADMM CN(Cc1ccco1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821615640 606493470 /nfs/dbraw/zinc/49/34/70/606493470.db2.gz GXHBSJLQCDYMDV-UHFFFAOYSA-N -1 1 289.320 1.793 20 0 CDADMM CN(Cc1ccco1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821615640 606493472 /nfs/dbraw/zinc/49/34/72/606493472.db2.gz GXHBSJLQCDYMDV-UHFFFAOYSA-N -1 1 289.320 1.793 20 0 CDADMM Cc1ccncc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822378967 606552564 /nfs/dbraw/zinc/55/25/64/606552564.db2.gz IDRLSKZRIKDHSJ-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM Cc1ccncc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822378967 606552565 /nfs/dbraw/zinc/55/25/65/606552565.db2.gz IDRLSKZRIKDHSJ-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM CCOCCN(CC)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821377896 606554941 /nfs/dbraw/zinc/55/49/41/606554941.db2.gz IEMNLZGKQAIDKO-UHFFFAOYSA-N -1 1 295.368 1.427 20 0 CDADMM CCOCCN(CC)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821377896 606554942 /nfs/dbraw/zinc/55/49/42/606554942.db2.gz IEMNLZGKQAIDKO-UHFFFAOYSA-N -1 1 295.368 1.427 20 0 CDADMM CCN(CC1CC1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821197012 606558603 /nfs/dbraw/zinc/55/86/03/606558603.db2.gz DRIZUAOXMSCNML-UHFFFAOYSA-N -1 1 277.353 1.800 20 0 CDADMM CCN(CC1CC1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821197012 606558604 /nfs/dbraw/zinc/55/86/04/606558604.db2.gz DRIZUAOXMSCNML-UHFFFAOYSA-N -1 1 277.353 1.800 20 0 CDADMM O=C(OC[C@H]1CCSC1)c1sccc1-c1nn[n-]n1 ZINC000823401351 606802152 /nfs/dbraw/zinc/80/21/52/606802152.db2.gz UIKFWUWZDYENJQ-SSDOTTSWSA-N -1 1 296.377 1.838 20 0 CDADMM CC1(CC(=O)n2ncc(-c3nn[n-]n3)c2N)CCCCC1 ZINC000824817550 607809128 /nfs/dbraw/zinc/80/91/28/607809128.db2.gz OTJBXHXEEDKMJY-UHFFFAOYSA-N -1 1 289.343 1.646 20 0 CDADMM CCC(CC)(CO)CNc1cccc(-c2nnn[n-]2)n1 ZINC000825096737 607810163 /nfs/dbraw/zinc/81/01/63/607810163.db2.gz QCSXLGFATUPWJK-UHFFFAOYSA-N -1 1 276.344 1.472 20 0 CDADMM CCC(CC)(CO)CNc1cccc(-c2nn[n-]n2)n1 ZINC000825096737 607810164 /nfs/dbraw/zinc/81/01/64/607810164.db2.gz QCSXLGFATUPWJK-UHFFFAOYSA-N -1 1 276.344 1.472 20 0 CDADMM COCC[C@@H](C)OC(=O)c1sccc1-c1nn[n-]n1 ZINC000826154258 607837521 /nfs/dbraw/zinc/83/75/21/607837521.db2.gz LJRVTELFJOSEAG-SSDOTTSWSA-N -1 1 282.325 1.510 20 0 CDADMM c1ccn2c(c1)nnc2Sc1cccc(-c2nnn[n-]2)n1 ZINC000826517419 607895010 /nfs/dbraw/zinc/89/50/10/607895010.db2.gz BPYXTUGSQCKEPL-UHFFFAOYSA-N -1 1 296.319 1.456 20 0 CDADMM c1ccn2c(c1)nnc2Sc1cccc(-c2nn[n-]n2)n1 ZINC000826517419 607895011 /nfs/dbraw/zinc/89/50/11/607895011.db2.gz BPYXTUGSQCKEPL-UHFFFAOYSA-N -1 1 296.319 1.456 20 0 CDADMM C[C@H](N(C)c1cccc(-c2nnn[n-]2)n1)C1(C)CC1 ZINC000824466778 607901288 /nfs/dbraw/zinc/90/12/88/607901288.db2.gz YTMZXIFGOGWGEZ-VIFPVBQESA-N -1 1 258.329 1.887 20 0 CDADMM C[C@H](N(C)c1cccc(-c2nn[n-]n2)n1)C1(C)CC1 ZINC000824466778 607901289 /nfs/dbraw/zinc/90/12/89/607901289.db2.gz YTMZXIFGOGWGEZ-VIFPVBQESA-N -1 1 258.329 1.887 20 0 CDADMM C[C@@H](CO)CCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824434462 608005326 /nfs/dbraw/zinc/00/53/26/608005326.db2.gz KMRHYUGGBQKACX-MRVPVSSYSA-N -1 1 295.368 1.067 20 0 CDADMM C[C@@H](CO)CCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824434462 608005327 /nfs/dbraw/zinc/00/53/27/608005327.db2.gz KMRHYUGGBQKACX-MRVPVSSYSA-N -1 1 295.368 1.067 20 0 CDADMM CC(C)(C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824064431 608078346 /nfs/dbraw/zinc/07/83/46/608078346.db2.gz IAKJTUFPYRGDQG-UHFFFAOYSA-N -1 1 293.352 1.273 20 0 CDADMM CC(C)(C)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824064431 608078347 /nfs/dbraw/zinc/07/83/47/608078347.db2.gz IAKJTUFPYRGDQG-UHFFFAOYSA-N -1 1 293.352 1.273 20 0 CDADMM c1ccc2c(c1)CC[C@@H](Nc1ccc(-c3nnn[n-]3)nn1)C2 ZINC000826523407 608390952 /nfs/dbraw/zinc/39/09/52/608390952.db2.gz LTMXXYNTNZACET-GFCCVEGCSA-N -1 1 293.334 1.626 20 0 CDADMM c1ccc2c(c1)CC[C@@H](Nc1ccc(-c3nn[n-]n3)nn1)C2 ZINC000826523407 608390954 /nfs/dbraw/zinc/39/09/54/608390954.db2.gz LTMXXYNTNZACET-GFCCVEGCSA-N -1 1 293.334 1.626 20 0 CDADMM c1ccc(SCCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826522732 608393031 /nfs/dbraw/zinc/39/30/31/608393031.db2.gz MAYUHXWJWRRHFP-UHFFFAOYSA-N -1 1 299.363 1.861 20 0 CDADMM c1ccc(SCCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826522732 608393032 /nfs/dbraw/zinc/39/30/32/608393032.db2.gz MAYUHXWJWRRHFP-UHFFFAOYSA-N -1 1 299.363 1.861 20 0 CDADMM CCCOc1ccc(CNc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000825338952 608396523 /nfs/dbraw/zinc/39/65/23/608396523.db2.gz LGGFZXWFSOPTJC-UHFFFAOYSA-N -1 1 299.338 1.991 20 0 CDADMM CCCOc1ccc(CNc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC000825338952 608396524 /nfs/dbraw/zinc/39/65/24/608396524.db2.gz LGGFZXWFSOPTJC-UHFFFAOYSA-N -1 1 299.338 1.991 20 0 CDADMM c1cc2c(s1)CCCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC000826518437 608416357 /nfs/dbraw/zinc/41/63/57/608416357.db2.gz OATWANDRKYZOJL-UHFFFAOYSA-N -1 1 299.363 1.671 20 0 CDADMM c1cc2c(s1)CCCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC000826518437 608416358 /nfs/dbraw/zinc/41/63/58/608416358.db2.gz OATWANDRKYZOJL-UHFFFAOYSA-N -1 1 299.363 1.671 20 0 CDADMM Oc1cccc2c1CC[C@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826511176 608426627 /nfs/dbraw/zinc/42/66/27/608426627.db2.gz FQWGQRCLDROCAM-SNVBAGLBSA-N -1 1 295.306 1.462 20 0 CDADMM Oc1cccc2c1CC[C@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826511176 608426628 /nfs/dbraw/zinc/42/66/28/608426628.db2.gz FQWGQRCLDROCAM-SNVBAGLBSA-N -1 1 295.306 1.462 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000826514681 608433292 /nfs/dbraw/zinc/43/32/92/608433292.db2.gz ZGTDRTUHNSWLIM-KKZNHRDASA-N -1 1 287.327 1.026 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000826514681 608433293 /nfs/dbraw/zinc/43/32/93/608433293.db2.gz ZGTDRTUHNSWLIM-KKZNHRDASA-N -1 1 287.327 1.026 20 0 CDADMM CS[C@H](CO)[C@H](C)Nc1nc(-c2nn[n-]n2)ccc1C ZINC000826227315 608544061 /nfs/dbraw/zinc/54/40/61/608544061.db2.gz PBOLBECSKKWXFQ-WCBMZHEXSA-N -1 1 294.384 1.094 20 0 CDADMM CS[C@H](CO)[C@@H](C)Nc1nc(-c2nn[n-]n2)ccc1C ZINC000826227313 608544275 /nfs/dbraw/zinc/54/42/75/608544275.db2.gz PBOLBECSKKWXFQ-PSASIEDQSA-N -1 1 294.384 1.094 20 0 CDADMM Cc1nc2n(c1C)CCN(Cc1ccc(-c3nnn[n-]3)o1)C2 ZINC000826328994 608667729 /nfs/dbraw/zinc/66/77/29/608667729.db2.gz MEXONYZSAZUQGM-UHFFFAOYSA-N -1 1 299.338 1.289 20 0 CDADMM Cc1nc2n(c1C)CCN(Cc1ccc(-c3nn[n-]n3)o1)C2 ZINC000826328994 608667731 /nfs/dbraw/zinc/66/77/31/608667731.db2.gz MEXONYZSAZUQGM-UHFFFAOYSA-N -1 1 299.338 1.289 20 0 CDADMM c1ccc(CC2CN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC000826520583 609435821 /nfs/dbraw/zinc/43/58/21/609435821.db2.gz NGVSWYNPBNKXAA-UHFFFAOYSA-N -1 1 293.334 1.336 20 0 CDADMM c1ccc(CC2CN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC000826520583 609435823 /nfs/dbraw/zinc/43/58/23/609435823.db2.gz NGVSWYNPBNKXAA-UHFFFAOYSA-N -1 1 293.334 1.336 20 0 CDADMM CC(=O)N1CCC[C@@H]([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC000945545932 613853620 /nfs/dbraw/zinc/85/36/20/613853620.db2.gz CPINRJKFSUXRMU-CMPLNLGQSA-N -1 1 291.351 1.164 20 0 CDADMM CC(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000946337557 614123589 /nfs/dbraw/zinc/12/35/89/614123589.db2.gz ZVCPAXTXXNYBJJ-RYUDHWBXSA-N -1 1 291.351 1.212 20 0 CDADMM COCc1nc(NCCc2nc3ccccc3[nH]2)cc(=O)[n-]1 ZINC000891580180 617489942 /nfs/dbraw/zinc/48/99/42/617489942.db2.gz BFDOIKGXWNVYMR-UHFFFAOYSA-N -1 1 299.334 1.860 20 0 CDADMM CCN(C(=O)c1ncccc1[O-])C1CN(C(=O)C(C)C)C1 ZINC000967898773 614795518 /nfs/dbraw/zinc/79/55/18/614795518.db2.gz JPDHMWLGPLBUIO-UHFFFAOYSA-N -1 1 291.351 1.116 20 0 CDADMM CCOCCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891624097 617510761 /nfs/dbraw/zinc/51/07/61/617510761.db2.gz WBIHZZLQMWRYQM-UHFFFAOYSA-N -1 1 265.313 1.426 20 0 CDADMM CC[C@H](C)Oc1cc(C(=O)N(C)c2nn[n-]n2)ccn1 ZINC000892955305 617972950 /nfs/dbraw/zinc/97/29/50/617972950.db2.gz ZIUPELPJVCSTDW-QMMMGPOBSA-N -1 1 276.300 1.049 20 0 CDADMM COCc1nc(N[C@@H](CO)CC2CCC2)cc(=O)[n-]1 ZINC000893621204 617696314 /nfs/dbraw/zinc/69/63/14/617696314.db2.gz QOHWIFLQPNAFCL-SNVBAGLBSA-N -1 1 267.329 1.292 20 0 CDADMM CCc1nc(CN2C[C@H](C)[C@@H](C(=O)[O-])C2)cs1 ZINC000223823187 617765117 /nfs/dbraw/zinc/76/51/17/617765117.db2.gz YSJGQOKVRVSYHV-WPRPVWTQSA-N -1 1 254.355 1.858 20 0 CDADMM C[N@@H+](Cc1ncc(Br)cc1O)[C@@H]1CCOC1 ZINC000891934299 617796095 /nfs/dbraw/zinc/79/60/95/617796095.db2.gz FORUWELDTYIHSL-SECBINFHSA-N -1 1 287.157 1.770 20 0 CDADMM COCc1nc(N[C@@H]2CCO[C@@H](C)C2)cc(=O)[n-]1 ZINC000893088609 618153146 /nfs/dbraw/zinc/15/31/46/618153146.db2.gz RJOBHLJWBRRXGV-DTWKUNHWSA-N -1 1 253.302 1.308 20 0 CDADMM O=C(OCc1noc2c1COCC2)c1ccc([O-])cc1F ZINC000922582289 618263288 /nfs/dbraw/zinc/26/32/88/618263288.db2.gz HMVLRQRYRZHFEF-UHFFFAOYSA-N -1 1 293.250 1.949 20 0 CDADMM C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC000910561587 618306865 /nfs/dbraw/zinc/30/68/65/618306865.db2.gz BHFRVEJDNZVLLC-MFKMUULPSA-N -1 1 293.367 1.738 20 0 CDADMM C[C@@H](Cc1ccsc1)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000901908700 618361296 /nfs/dbraw/zinc/36/12/96/618361296.db2.gz BZVAOJRNNHYDFU-HOSYDEDBSA-N -1 1 269.366 1.853 20 0 CDADMM Cc1cccc(C)c1CCNc1nccnc1-c1nnn[n-]1 ZINC000822293605 618539941 /nfs/dbraw/zinc/53/99/41/618539941.db2.gz DLDLRRLRMXOPMK-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1cccc(C)c1CCNc1nccnc1-c1nn[n-]n1 ZINC000822293605 618539949 /nfs/dbraw/zinc/53/99/49/618539949.db2.gz DLDLRRLRMXOPMK-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM COCc1nc(N[C@@H](C)c2ccn(C)n2)cc(=O)[n-]1 ZINC000894165958 618644191 /nfs/dbraw/zinc/64/41/91/618644191.db2.gz AYFZKFLHDFJBFW-QMMMGPOBSA-N -1 1 263.301 1.235 20 0 CDADMM CC(C)NC(=O)[C@@H](C)[N-]c1nnc(Cc2ccccc2)o1 ZINC000894212582 618726722 /nfs/dbraw/zinc/72/67/22/618726722.db2.gz ABKGKZFUDPZOKT-LLVKDONJSA-N -1 1 288.351 1.985 20 0 CDADMM COCc1nc(N2CCO[C@@]3(CCSC3)C2)cc(=O)[n-]1 ZINC000894344702 618802917 /nfs/dbraw/zinc/80/29/17/618802917.db2.gz IUTYYJLZUAOFQY-ZDUSSCGKSA-N -1 1 297.380 1.041 20 0 CDADMM COCC[N@@H+](C)CCNC(=O)c1c([O-])cccc1Cl ZINC000726983175 619270673 /nfs/dbraw/zinc/27/06/73/619270673.db2.gz NSHXBFLUVGUIPC-UHFFFAOYSA-N -1 1 286.759 1.354 20 0 CDADMM Cc1csc(NCCNC(=O)c2ncccc2[O-])n1 ZINC000909452037 619326206 /nfs/dbraw/zinc/32/62/06/619326206.db2.gz XCHWPRCFCLCUAE-UHFFFAOYSA-N -1 1 278.337 1.394 20 0 CDADMM CSc1nsc([N-]C(=O)c2conc2C)n1 ZINC000895585993 619740086 /nfs/dbraw/zinc/74/00/86/619740086.db2.gz OKOQWSJMZARBLK-UHFFFAOYSA-N -1 1 256.312 1.809 20 0 CDADMM O=c1nc(N2CCC(O)(C3CCC3)CC2)cc(Cl)[n-]1 ZINC000896318550 620057930 /nfs/dbraw/zinc/05/79/30/620057930.db2.gz KEIGAOQHGFGYPN-UHFFFAOYSA-N -1 1 283.759 1.967 20 0 CDADMM COCc1noc([C@H](C)O[N-]C(=O)CC(C)(C)C)n1 ZINC000842060723 621667078 /nfs/dbraw/zinc/66/70/78/621667078.db2.gz BZAHXASQYGXZJI-QMMMGPOBSA-N -1 1 271.317 1.761 20 0 CDADMM COc1ccc2c(c1)[n-]cc(C(=O)N(C)CCCF)c2=O ZINC000899816650 622461890 /nfs/dbraw/zinc/46/18/90/622461890.db2.gz CDCOCYGFDYWWAA-UHFFFAOYSA-N -1 1 292.310 1.968 20 0 CDADMM CCn1nccc1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900509741 623169828 /nfs/dbraw/zinc/16/98/28/623169828.db2.gz PFWJWBWJWCBMJW-UHFFFAOYSA-N -1 1 273.296 1.528 20 0 CDADMM CC(C)[C@@](C)(O)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900898491 623627463 /nfs/dbraw/zinc/62/74/63/623627463.db2.gz LCLORQXKCOWNRJ-AWEZNQCLSA-N -1 1 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1.415 20 0 CDADMM COC1CC(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)C1 ZINC001142563476 1160729391 /nfs/dbraw/zinc/72/93/91/1160729391.db2.gz ZJQIFDQPCVBQQL-UHFFFAOYSA-N -1 1 287.319 1.941 20 0 CDADMM C[C@@H]1COCCN(Cc2cc(Cl)ncc2[O-])C1 ZINC001233032653 1161060847 /nfs/dbraw/zinc/06/08/47/1161060847.db2.gz NTQMKHLQAWFBCP-VIFPVBQESA-N -1 1 256.733 1.909 20 0 CDADMM Cc1n[nH]nc1C(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000790069181 1162124104 /nfs/dbraw/zinc/12/41/04/1162124104.db2.gz MXACOKJCBNNZEN-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM CCOCCCCNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001604430696 1163186736 /nfs/dbraw/zinc/18/67/36/1163186736.db2.gz NANCHMGBXWIUBO-UHFFFAOYSA-N -1 1 291.359 1.448 20 0 CDADMM CCOCCCCNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001604430696 1163186740 /nfs/dbraw/zinc/18/67/40/1163186740.db2.gz NANCHMGBXWIUBO-UHFFFAOYSA-N -1 1 291.359 1.448 20 0 CDADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCOC[C@H]2CC2CC2)O1 ZINC001604610093 1163246640 /nfs/dbraw/zinc/24/66/40/1163246640.db2.gz MXJYSQSGLFVWMR-OLZOCXBDSA-N -1 1 281.352 1.635 20 0 CDADMM CCn1cnc(C(=O)OCc2ccc(-c3nnn[n-]3)o2)c1 ZINC001604613682 1163249519 /nfs/dbraw/zinc/24/95/19/1163249519.db2.gz LCSYULFYNFVRNK-UHFFFAOYSA-N -1 1 288.267 1.033 20 0 CDADMM CCn1cnc(C(=O)OCc2ccc(-c3nn[n-]n3)o2)c1 ZINC001604613682 1163249525 /nfs/dbraw/zinc/24/95/25/1163249525.db2.gz LCSYULFYNFVRNK-UHFFFAOYSA-N -1 1 288.267 1.033 20 0 CDADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1CN1Cc2ccc(F)cc2C1=O ZINC001604636485 1163259582 /nfs/dbraw/zinc/25/95/82/1163259582.db2.gz MFFAXTGERJPNRS-SKDRFNHKSA-N -1 1 292.310 1.534 20 0 CDADMM CN(C[C@H]1CC=CCC1)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604728826 1163299613 /nfs/dbraw/zinc/29/96/13/1163299613.db2.gz DLJPNMYQGUSEHL-JTQLQIEISA-N -1 1 287.323 1.888 20 0 CDADMM CN(C[C@H]1CC=CCC1)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001604728826 1163299617 /nfs/dbraw/zinc/29/96/17/1163299617.db2.gz DLJPNMYQGUSEHL-JTQLQIEISA-N -1 1 287.323 1.888 20 0 CDADMM C[C@@H](C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1)C(C)(C)C ZINC001604769533 1163317710 /nfs/dbraw/zinc/31/77/10/1163317710.db2.gz SHTCVDDSSOZOGR-NEPJUHHUSA-N -1 1 284.400 1.676 20 0 CDADMM COC(=O)c1ccc(N[C@@H]2CC23CC3)c(-c2nnn[n-]2)n1 ZINC001604974510 1163402963 /nfs/dbraw/zinc/40/29/63/1163402963.db2.gz JJBICTFIUGNLGR-SECBINFHSA-N -1 1 286.295 1.013 20 0 CDADMM COC(=O)c1ccc(N[C@@H]2CC23CC3)c(-c2nn[n-]n2)n1 ZINC001604974510 1163402970 /nfs/dbraw/zinc/40/29/70/1163402970.db2.gz JJBICTFIUGNLGR-SECBINFHSA-N -1 1 286.295 1.013 20 0 CDADMM COC1CCC(NC(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001605030694 1163425656 /nfs/dbraw/zinc/42/56/56/1163425656.db2.gz VPDCRKKYQGIRBR-UHFFFAOYSA-N -1 1 291.311 1.147 20 0 CDADMM COC1CCC(NC(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001605030694 1163425662 /nfs/dbraw/zinc/42/56/62/1163425662.db2.gz VPDCRKKYQGIRBR-UHFFFAOYSA-N -1 1 291.311 1.147 20 0 CDADMM COCC1(Nc2ccnc(-c3nnn[n-]3)c2)CCCC1 ZINC001605068626 1163439711 /nfs/dbraw/zinc/43/97/11/1163439711.db2.gz ZRAJKJKDAAULGR-UHFFFAOYSA-N -1 1 274.328 1.055 20 0 CDADMM COCC1(Nc2ccnc(-c3nn[n-]n3)c2)CCCC1 ZINC001605068626 1163439717 /nfs/dbraw/zinc/43/97/17/1163439717.db2.gz ZRAJKJKDAAULGR-UHFFFAOYSA-N -1 1 274.328 1.055 20 0 CDADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC001605426528 1163560525 /nfs/dbraw/zinc/56/05/25/1163560525.db2.gz PRBCTEPRVZFWAF-SDNRWEOFSA-N -1 1 256.313 1.718 20 0 CDADMM CCN(Cc1snc(OC)c1C(=O)[O-])C1CC1 ZINC001605463578 1163574866 /nfs/dbraw/zinc/57/48/66/1163574866.db2.gz XPETZPFWNVDKGK-UHFFFAOYSA-N -1 1 256.327 1.834 20 0 CDADMM CCOC(=O)[C@H](C)N(CCC(C)(C)C(=O)[O-])C1CC1 ZINC001605508994 1163591289 /nfs/dbraw/zinc/59/12/89/1163591289.db2.gz PRPFGSYMYVGOPD-JTQLQIEISA-N -1 1 271.357 1.903 20 0 CDADMM CCOC(=O)[C@@H]1CN(C/C=C(/C)C(=O)[O-])CCC1(F)F ZINC001605526384 1163597044 /nfs/dbraw/zinc/59/70/44/1163597044.db2.gz KJEOOYUOPIQVAM-FWAPLPHYSA-N -1 1 291.294 1.538 20 0 CDADMM Cc1cc(F)ncc1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001605683934 1163643194 /nfs/dbraw/zinc/64/31/94/1163643194.db2.gz SLMCJLWMFMKTDZ-UHFFFAOYSA-N -1 1 299.269 1.357 20 0 CDADMM Cc1cc(F)ncc1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001605683934 1163643200 /nfs/dbraw/zinc/64/32/00/1163643200.db2.gz SLMCJLWMFMKTDZ-UHFFFAOYSA-N -1 1 299.269 1.357 20 0 CDADMM CCOc1nnc(CN[C@@H]2CCC[C@H]2C(=O)[O-])s1 ZINC001605722234 1163652163 /nfs/dbraw/zinc/65/21/63/1163652163.db2.gz OIWZVCCPCOCDHC-HTQZYQBOSA-N -1 1 271.342 1.280 20 0 CDADMM Cc1cc(NC[C@H]2CCO[C@H](C)C2)nc(-c2nnn[n-]2)c1 ZINC001605730148 1163653716 /nfs/dbraw/zinc/65/37/16/1163653716.db2.gz FOIOXRAVKRWKGS-MNOVXSKESA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(NC[C@H]2CCO[C@H](C)C2)nc(-c2nn[n-]n2)c1 ZINC001605730148 1163653722 /nfs/dbraw/zinc/65/37/22/1163653722.db2.gz FOIOXRAVKRWKGS-MNOVXSKESA-N -1 1 288.355 1.797 20 0 CDADMM CCc1nnc(COC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)[nH]1 ZINC001605853296 1163690600 /nfs/dbraw/zinc/69/06/00/1163690600.db2.gz YPYRTDYKZBZVGI-DTWKUNHWSA-N -1 1 281.312 1.301 20 0 CDADMM Cc1cccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)c1 ZINC001605904301 1163711654 /nfs/dbraw/zinc/71/16/54/1163711654.db2.gz QWHPXCRANSEEET-UHFFFAOYSA-N -1 1 269.268 1.151 20 0 CDADMM Cc1cccc(F)c1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001605916927 1163712696 /nfs/dbraw/zinc/71/26/96/1163712696.db2.gz YZCHEHWEZCSYLO-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1cccc(F)c1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001605916927 1163712700 /nfs/dbraw/zinc/71/27/00/1163712700.db2.gz YZCHEHWEZCSYLO-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1cnc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)o1 ZINC001605980643 1163735035 /nfs/dbraw/zinc/73/50/35/1163735035.db2.gz MDXLQINIFVZBCV-UHFFFAOYSA-N -1 1 288.242 1.555 20 0 CDADMM Cc1cnc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)o1 ZINC001605980643 1163735038 /nfs/dbraw/zinc/73/50/38/1163735038.db2.gz MDXLQINIFVZBCV-UHFFFAOYSA-N -1 1 288.242 1.555 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@@H]2C[C@]23CCOC3)c1C ZINC001606021027 1163747322 /nfs/dbraw/zinc/74/73/22/1163747322.db2.gz HGIOXVCSQAAYCA-GWCFXTLKSA-N -1 1 274.328 1.107 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@@H]2C[C@]23CCOC3)c1C ZINC001606021027 1163747328 /nfs/dbraw/zinc/74/73/28/1163747328.db2.gz HGIOXVCSQAAYCA-GWCFXTLKSA-N -1 1 274.328 1.107 20 0 CDADMM Cc1nsc(N(C)C(=O)C23CC(C2)C3)c1-c1nnn[n-]1 ZINC001606139536 1163784561 /nfs/dbraw/zinc/78/45/61/1163784561.db2.gz PHAGOEBHTLGYSM-UHFFFAOYSA-N -1 1 290.352 1.395 20 0 CDADMM Cc1nsc(N(C)C(=O)C23CC(C2)C3)c1-c1nn[n-]n1 ZINC001606139536 1163784569 /nfs/dbraw/zinc/78/45/69/1163784569.db2.gz PHAGOEBHTLGYSM-UHFFFAOYSA-N -1 1 290.352 1.395 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1-c1nnc(CC2CC2)o1 ZINC001606165035 1163794765 /nfs/dbraw/zinc/79/47/65/1163794765.db2.gz LGKQIPFVGVURSM-UHFFFAOYSA-N -1 1 272.268 1.771 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1-c1nnc(CC2CC2)o1 ZINC001606165035 1163794770 /nfs/dbraw/zinc/79/47/70/1163794770.db2.gz LGKQIPFVGVURSM-UHFFFAOYSA-N -1 1 272.268 1.771 20 0 CDADMM CN(C(=O)[C@H]1CCCN1C)C1(C(=O)[O-])CCCCC1 ZINC001606228756 1163824995 /nfs/dbraw/zinc/82/49/95/1163824995.db2.gz KMXLTZGTCVGKHU-LLVKDONJSA-N -1 1 268.357 1.327 20 0 CDADMM Cn1cc(Nc2ccnc(-c3nnn[n-]3)c2)c(C2CC2)n1 ZINC001606243630 1163826018 /nfs/dbraw/zinc/82/60/18/1163826018.db2.gz NCUTVVMUDWNMDH-UHFFFAOYSA-N -1 1 282.311 1.038 20 0 CDADMM Cn1cc(Nc2ccnc(-c3nn[n-]n3)c2)c(C2CC2)n1 ZINC001606243630 1163826023 /nfs/dbraw/zinc/82/60/23/1163826023.db2.gz NCUTVVMUDWNMDH-UHFFFAOYSA-N -1 1 282.311 1.038 20 0 CDADMM FC(F)(F)[C@@H]1C[C@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC001606290564 1163837973 /nfs/dbraw/zinc/83/79/73/1163837973.db2.gz IFJWXLHUEXSEIT-NKWVEPMBSA-N -1 1 284.245 1.872 20 0 CDADMM FC(F)(F)[C@@H]1C[C@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC001606290564 1163837978 /nfs/dbraw/zinc/83/79/78/1163837978.db2.gz IFJWXLHUEXSEIT-NKWVEPMBSA-N -1 1 284.245 1.872 20 0 CDADMM FC1(F)CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001606299979 1163845028 /nfs/dbraw/zinc/84/50/28/1163845028.db2.gz OSCMBOTWPNWPMK-MRVPVSSYSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(F)CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001606299979 1163845031 /nfs/dbraw/zinc/84/50/31/1163845031.db2.gz OSCMBOTWPNWPMK-MRVPVSSYSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(F)CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001606299980 1163845435 /nfs/dbraw/zinc/84/54/35/1163845435.db2.gz OSCMBOTWPNWPMK-QMMMGPOBSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(F)CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001606299980 1163845444 /nfs/dbraw/zinc/84/54/44/1163845444.db2.gz OSCMBOTWPNWPMK-QMMMGPOBSA-N -1 1 295.297 1.894 20 0 CDADMM CNc1ccc(C)cc1CN1CCOC[C@H]1CC(=O)[O-] ZINC001606311803 1163854091 /nfs/dbraw/zinc/85/40/91/1163854091.db2.gz RPLDRAAKYCYROV-CYBMUJFWSA-N -1 1 278.352 1.712 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)O[C@H]1C=CCC1 ZINC001606596198 1163934836 /nfs/dbraw/zinc/93/48/36/1163934836.db2.gz BFSYMPPLYWRREJ-JTQLQIEISA-N -1 1 271.280 1.066 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)O[C@H]1C=CCC1 ZINC001606596198 1163934840 /nfs/dbraw/zinc/93/48/40/1163934840.db2.gz BFSYMPPLYWRREJ-JTQLQIEISA-N -1 1 271.280 1.066 20 0 CDADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cnc2cc[nH]c2c1 ZINC001133907090 1163960004 /nfs/dbraw/zinc/96/00/04/1163960004.db2.gz MOAXWVGCATXBCJ-UHFFFAOYSA-N -1 1 296.212 1.952 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001606934759 1164033134 /nfs/dbraw/zinc/03/31/34/1164033134.db2.gz KYIWHXZDNJUFAV-OUAUKWLOSA-N -1 1 296.334 1.803 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001606934759 1164033136 /nfs/dbraw/zinc/03/31/36/1164033136.db2.gz KYIWHXZDNJUFAV-OUAUKWLOSA-N -1 1 296.334 1.803 20 0 CDADMM O=C(Nc1cccc(CO)c1)c1cccc(-c2nnn[n-]2)n1 ZINC001606935879 1164034627 /nfs/dbraw/zinc/03/46/27/1164034627.db2.gz UHDJGZUWEBBPTK-UHFFFAOYSA-N -1 1 296.290 1.006 20 0 CDADMM O=C(Nc1cccc(CO)c1)c1cccc(-c2nn[n-]n2)n1 ZINC001606935879 1164034631 /nfs/dbraw/zinc/03/46/31/1164034631.db2.gz UHDJGZUWEBBPTK-UHFFFAOYSA-N -1 1 296.290 1.006 20 0 CDADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CC=CC1 ZINC001607005820 1164059349 /nfs/dbraw/zinc/05/93/49/1164059349.db2.gz DCWIRQAXDKPRLF-UHFFFAOYSA-N -1 1 277.234 1.157 20 0 CDADMM c1cc(CSc2ncncc2-c2nnn[n-]2)ccn1 ZINC001607119644 1164101337 /nfs/dbraw/zinc/10/13/37/1164101337.db2.gz FJTKHSQYALUJEM-UHFFFAOYSA-N -1 1 271.309 1.344 20 0 CDADMM c1cc(CSc2ncncc2-c2nn[n-]n2)ccn1 ZINC001607119644 1164101341 /nfs/dbraw/zinc/10/13/41/1164101341.db2.gz FJTKHSQYALUJEM-UHFFFAOYSA-N -1 1 271.309 1.344 20 0 CDADMM c1[nH]nc2cc(CNc3n[nH]cc3-c3nn[n-]n3)ccc12 ZINC001607123303 1164105883 /nfs/dbraw/zinc/10/58/83/1164105883.db2.gz LMISCRIIRSFMGM-UHFFFAOYSA-N -1 1 281.283 1.078 20 0 CDADMM c1ccc2c(c1)CC[C@H](Nc1ccnc(-c3nnn[n-]3)c1)C2 ZINC001607133067 1164112128 /nfs/dbraw/zinc/11/21/28/1164112128.db2.gz ZXFYMODUAQSXSL-ZDUSSCGKSA-N -1 1 292.346 1.653 20 0 CDADMM c1ccc2c(c1)CC[C@H](Nc1ccnc(-c3nn[n-]n3)c1)C2 ZINC001607133067 1164112132 /nfs/dbraw/zinc/11/21/32/1164112132.db2.gz ZXFYMODUAQSXSL-ZDUSSCGKSA-N -1 1 292.346 1.653 20 0 CDADMM COc1ccc(CCn2[nH]c(C)c(CC(=O)[O-])c2=O)cc1 ZINC001607248184 1164136982 /nfs/dbraw/zinc/13/69/82/1164136982.db2.gz MUMFZGAZKZZJPZ-CYBMUJFWSA-N -1 1 290.319 1.547 20 0 CDADMM C[C@H]1C[N@H+](Cc2cccc(C(=O)[O-])c2)C[C@@H](C(=O)[O-])O1 ZINC001607477088 1164196628 /nfs/dbraw/zinc/19/66/28/1164196628.db2.gz VKQBCIGDNWLETI-CABZTGNLSA-N -1 1 279.292 1.059 20 0 CDADMM C[C@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2)C[C@@H](C(=O)[O-])O1 ZINC001607477088 1164196631 /nfs/dbraw/zinc/19/66/31/1164196631.db2.gz VKQBCIGDNWLETI-CABZTGNLSA-N -1 1 279.292 1.059 20 0 CDADMM Cc1c(C(=O)N[C@@H](C(=O)[O-])C2CC2)ccc2cncn21 ZINC001607505834 1164211692 /nfs/dbraw/zinc/21/16/92/1164211692.db2.gz AKROANVHWDHLDB-GFCCVEGCSA-N -1 1 273.292 1.236 20 0 CDADMM Cc1ccc(CN2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)s1 ZINC001607780863 1164294142 /nfs/dbraw/zinc/29/41/42/1164294142.db2.gz OWBREHZMBWOZAB-CYBMUJFWSA-N -1 1 280.349 1.862 20 0 CDADMM Cc1noc([C@@H]2CCCCN2CC2(C(=O)[O-])CC2)n1 ZINC001608024558 1164382070 /nfs/dbraw/zinc/38/20/70/1164382070.db2.gz DLLHNGFHEOTRCR-JTQLQIEISA-N -1 1 265.313 1.770 20 0 CDADMM Cc1noc([C@H](NC[C@H]2[C@H](C(=O)[O-])C2(F)F)C(C)C)n1 ZINC001608024132 1164382663 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CDADMM O=C(Nc1c[n-][nH]c1=O)[C@@H]1CC12CCSCC2 ZINC001638735425 1166867734 /nfs/dbraw/zinc/86/77/34/1166867734.db2.gz HRUPLGCHVBXVCU-ZETCQYMHSA-N -1 1 253.327 1.587 20 0 CDADMM COc1c(F)ccc(F)c1C(=O)Nc1c[n-][nH]c1=O ZINC001638735685 1166867879 /nfs/dbraw/zinc/86/78/79/1166867879.db2.gz TVTQZKQVERXJAZ-UHFFFAOYSA-N -1 1 269.207 1.654 20 0 CDADMM CCC(CC)(NC(=O)C1=COCCC1)c1nn[n-]n1 ZINC001640154681 1166999980 /nfs/dbraw/zinc/99/99/80/1166999980.db2.gz FTOSMHMBUYZSCD-UHFFFAOYSA-N -1 1 265.317 1.026 20 0 CDADMM CSc1ccc(O)c(C(=O)Nc2c[n-][nH]c2=O)c1 ZINC001641600519 1167122376 /nfs/dbraw/zinc/12/23/76/1167122376.db2.gz CGQZOYHTQLPIAY-UHFFFAOYSA-N -1 1 265.294 1.795 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)[C@@H]1COc2ccccc2C1 ZINC001641598204 1167123112 /nfs/dbraw/zinc/12/31/12/1167123112.db2.gz OTHITAGFFULJMN-VIFPVBQESA-N -1 1 259.265 1.305 20 0 CDADMM O=C(Nc1ncccc1CO)c1ccc([O-])cc1F ZINC001641868753 1167140708 /nfs/dbraw/zinc/14/07/08/1167140708.db2.gz QJPBUQAUOZHOGG-UHFFFAOYSA-N -1 1 262.240 1.671 20 0 CDADMM O=C([O-])c1cnn(C2CCN(Cc3cccnc3)CC2)c1 ZINC001647254651 1168493534 /nfs/dbraw/zinc/49/35/34/1168493534.db2.gz PLMMLUHHCJUIQM-UHFFFAOYSA-N -1 1 286.335 1.813 20 0 CDADMM O=C(Nc1ccc(-n2cnnc2)cc1)c1ccc(O)cc1[O-] ZINC001567531081 1168836123 /nfs/dbraw/zinc/83/61/23/1168836123.db2.gz XOVHVJMEXWZFJU-UHFFFAOYSA-N -1 1 296.286 1.931 20 0 CDADMM CN(Cc1ccn(C)n1)C(=O)c1ccc(F)c([O-])c1 ZINC001648681633 1169149670 /nfs/dbraw/zinc/14/96/70/1169149670.db2.gz QICIZZFMXURAES-UHFFFAOYSA-N -1 1 263.272 1.537 20 0 CDADMM CO[C@H](CS(=O)(=O)[N-]c1c[nH]nc1C(C)C)C(C)C ZINC001649947139 1169527624 /nfs/dbraw/zinc/52/76/24/1169527624.db2.gz HYPMVCAVMVRWCY-LLVKDONJSA-N -1 1 289.401 1.946 20 0 CDADMM COc1cccc2c1n[nH]c2C(=O)Nc1c(C)[n-][nH]c1=O ZINC001569835640 1170013217 /nfs/dbraw/zinc/01/32/17/1170013217.db2.gz ABMPCMJNPUTIPH-UHFFFAOYSA-N -1 1 287.279 1.561 20 0 CDADMM O=C(NCCCCc1c[nH]nn1)c1ccc([O-])cc1F ZINC001578010510 1171783084 /nfs/dbraw/zinc/78/30/84/1171783084.db2.gz YNKHMYJMIPZWEZ-UHFFFAOYSA-N -1 1 278.287 1.402 20 0 CDADMM COCc1cccc(CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001579835656 1172275446 /nfs/dbraw/zinc/27/54/46/1172275446.db2.gz ZUFFHEQZEJHKEU-UHFFFAOYSA-N -1 1 297.322 1.415 20 0 CDADMM COCc1cccc(CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001579835656 1172275458 /nfs/dbraw/zinc/27/54/58/1172275458.db2.gz ZUFFHEQZEJHKEU-UHFFFAOYSA-N -1 1 297.322 1.415 20 0 CDADMM Nc1ccoc1C(=O)Nc1nc(Br)ccc1[O-] ZINC001580463980 1172445043 /nfs/dbraw/zinc/44/50/43/1172445043.db2.gz AQTCJSCPNHBYRT-UHFFFAOYSA-N -1 1 298.096 1.977 20 0 CDADMM O=C(N[C@@H]1CCCC[C@H]1F)c1cccc(-c2nnn[n-]2)n1 ZINC001582564391 1172682269 /nfs/dbraw/zinc/68/22/69/1172682269.db2.gz MICCJIVDMVRWMI-RKDXNWHRSA-N -1 1 290.302 1.272 20 0 CDADMM O=C(N[C@@H]1CCCC[C@H]1F)c1cccc(-c2nn[n-]n2)n1 ZINC001582564391 1172682275 /nfs/dbraw/zinc/68/22/75/1172682275.db2.gz MICCJIVDMVRWMI-RKDXNWHRSA-N -1 1 290.302 1.272 20 0 CDADMM O=C(Nc1cccc2nonc21)c1ccc(-c2nn[n-]n2)o1 ZINC001582647326 1172687979 /nfs/dbraw/zinc/68/79/79/1172687979.db2.gz QEXHSJFIUTURLA-UHFFFAOYSA-N -1 1 297.234 1.248 20 0 CDADMM O[C@@H](CCOc1cccnc1-c1nnn[n-]1)c1ccccc1 ZINC001582809404 1172694081 /nfs/dbraw/zinc/69/40/81/1172694081.db2.gz WVJXZNFMOUJTAS-LBPRGKRZSA-N -1 1 297.318 1.764 20 0 CDADMM O[C@@H](CCOc1cccnc1-c1nn[n-]n1)c1ccccc1 ZINC001582809404 1172694086 /nfs/dbraw/zinc/69/40/86/1172694086.db2.gz WVJXZNFMOUJTAS-LBPRGKRZSA-N -1 1 297.318 1.764 20 0 CDADMM CN(C(=O)c1ccc2c(c1)CCC=C2)c1nn[n-]n1 ZINC001587339486 1172982009 /nfs/dbraw/zinc/98/20/09/1172982009.db2.gz HHVMTWQNOUNPJJ-UHFFFAOYSA-N -1 1 255.281 1.436 20 0 CDADMM c1cc(NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)nc(-c2nnn[n-]2)c1 ZINC001588386937 1173058526 /nfs/dbraw/zinc/05/85/26/1173058526.db2.gz QYAXTELOIISQSL-AXFHLTTASA-N -1 1 284.323 1.265 20 0 CDADMM c1cc(NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)nc(-c2nn[n-]n2)c1 ZINC001588386937 1173058535 /nfs/dbraw/zinc/05/85/35/1173058535.db2.gz QYAXTELOIISQSL-AXFHLTTASA-N -1 1 284.323 1.265 20 0 CDADMM CC(=O)OCCCSc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588888061 1173111547 /nfs/dbraw/zinc/11/15/47/1173111547.db2.gz JSHQIESUSUQKTH-UHFFFAOYSA-N -1 1 294.340 1.010 20 0 CDADMM CC(=O)OCCCSc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588888061 1173111551 /nfs/dbraw/zinc/11/15/51/1173111551.db2.gz JSHQIESUSUQKTH-UHFFFAOYSA-N -1 1 294.340 1.010 20 0 CDADMM CC(C)(C)n1cc(Nc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001589260508 1173132668 /nfs/dbraw/zinc/13/26/68/1173132668.db2.gz QWSVSMCIUICSRB-UHFFFAOYSA-N -1 1 285.315 1.352 20 0 CDADMM CC(C)(C)n1cc(Nc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001589260508 1173132674 /nfs/dbraw/zinc/13/26/74/1173132674.db2.gz QWSVSMCIUICSRB-UHFFFAOYSA-N -1 1 285.315 1.352 20 0 CDADMM CC(C)CCn1ccc(Nc2cncc(-c3nnn[n-]3)n2)n1 ZINC001589614596 1173164078 /nfs/dbraw/zinc/16/40/78/1173164078.db2.gz YWCFRNTZROEDGE-UHFFFAOYSA-N -1 1 299.342 1.643 20 0 CDADMM CC(C)CCn1ccc(Nc2cncc(-c3nn[n-]n3)n2)n1 ZINC001589614596 1173164080 /nfs/dbraw/zinc/16/40/80/1173164080.db2.gz YWCFRNTZROEDGE-UHFFFAOYSA-N -1 1 299.342 1.643 20 0 CDADMM CC(C)OC1CCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001589740057 1173170410 /nfs/dbraw/zinc/17/04/10/1173170410.db2.gz VTCKIACLXOKUAK-UHFFFAOYSA-N -1 1 289.343 1.051 20 0 CDADMM CC(C)OC1CCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001589740057 1173170414 /nfs/dbraw/zinc/17/04/14/1173170414.db2.gz VTCKIACLXOKUAK-UHFFFAOYSA-N -1 1 289.343 1.051 20 0 CDADMM C[C@@H](CCO)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001589835705 1173189807 /nfs/dbraw/zinc/18/98/07/1173189807.db2.gz ZJZHCDNSESKGKB-YFKPBYRVSA-N -1 1 288.764 1.407 20 0 CDADMM C[C@@H](CCO)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001589835705 1173189806 /nfs/dbraw/zinc/18/98/06/1173189806.db2.gz ZJZHCDNSESKGKB-YFKPBYRVSA-N -1 1 288.764 1.407 20 0 CDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)CC(F)(F)F ZINC001589880656 1173191972 /nfs/dbraw/zinc/19/19/72/1173191972.db2.gz LDEUMBVVYQXYPE-ZCFIWIBFSA-N -1 1 287.249 1.657 20 0 CDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)CC(F)(F)F ZINC001589880656 1173191977 /nfs/dbraw/zinc/19/19/77/1173191977.db2.gz LDEUMBVVYQXYPE-ZCFIWIBFSA-N -1 1 287.249 1.657 20 0 CDADMM C[C@@H](COC(=O)c1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC001589886222 1173195207 /nfs/dbraw/zinc/19/52/07/1173195207.db2.gz YZKWRYITIGFXOQ-ZETCQYMHSA-N -1 1 262.269 1.663 20 0 CDADMM CC1(C(=O)[O-])CC[NH+](Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC001590071241 1173243724 /nfs/dbraw/zinc/24/37/24/1173243724.db2.gz JDKHRSDXUNTEPV-UHFFFAOYSA-N -1 1 291.311 1.146 20 0 CDADMM C[C@]1(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C[C@H]2C[C@H]2C1 ZINC001590071303 1173246546 /nfs/dbraw/zinc/24/65/46/1173246546.db2.gz WNLOMRMCEGWBMR-QRJZZWFUSA-N -1 1 284.323 1.636 20 0 CDADMM C[C@]1(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C[C@H]2C[C@H]2C1 ZINC001590071303 1173246549 /nfs/dbraw/zinc/24/65/49/1173246549.db2.gz WNLOMRMCEGWBMR-QRJZZWFUSA-N -1 1 284.323 1.636 20 0 CDADMM C[C@@]1(CNc2ncncc2-c2nn[n-]n2)CCCC[C@@H]1O ZINC001590135787 1173270235 /nfs/dbraw/zinc/27/02/35/1173270235.db2.gz NCQIYFIVFHVNKJ-GWCFXTLKSA-N -1 1 289.343 1.010 20 0 CDADMM C[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCS1 ZINC001590208627 1173291484 /nfs/dbraw/zinc/29/14/84/1173291484.db2.gz GMRNTFAHBWCLQL-JGVFFNPUSA-N -1 1 277.357 1.353 20 0 CDADMM C[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCS1 ZINC001590208627 1173291485 /nfs/dbraw/zinc/29/14/85/1173291485.db2.gz GMRNTFAHBWCLQL-JGVFFNPUSA-N -1 1 277.357 1.353 20 0 CDADMM C[C@H]1CCC[C@H](C2CN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001590244390 1173316859 /nfs/dbraw/zinc/31/68/59/1173316859.db2.gz SBFJVIAQZWOFAJ-QWRGUYRKSA-N -1 1 299.382 1.919 20 0 CDADMM C[C@H]1CCC[C@H](C2CN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001590244390 1173316866 /nfs/dbraw/zinc/31/68/66/1173316866.db2.gz SBFJVIAQZWOFAJ-QWRGUYRKSA-N -1 1 299.382 1.919 20 0 CDADMM C[C@H]1CCC[C@H](OC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590249064 1173320352 /nfs/dbraw/zinc/32/03/52/1173320352.db2.gz ANMYURSYGKPVTO-UWVGGRQHSA-N -1 1 287.323 1.997 20 0 CDADMM C[C@H]1CCC[C@H](OC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590249064 1173320358 /nfs/dbraw/zinc/32/03/58/1173320358.db2.gz ANMYURSYGKPVTO-UWVGGRQHSA-N -1 1 287.323 1.997 20 0 CDADMM C[C@@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)C[C@H](C)S1 ZINC001590300462 1173340368 /nfs/dbraw/zinc/34/03/68/1173340368.db2.gz AOVQJMDKFHLVDJ-OCAPTIKFSA-N -1 1 293.352 1.426 20 0 CDADMM C[C@@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)C[C@H](C)S1 ZINC001590300462 1173340373 /nfs/dbraw/zinc/34/03/73/1173340373.db2.gz AOVQJMDKFHLVDJ-OCAPTIKFSA-N -1 1 293.352 1.426 20 0 CDADMM C[C@@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)[C@@H](C)[C@H](C)O1 ZINC001590300750 1173343370 /nfs/dbraw/zinc/34/33/70/1173343370.db2.gz DXXRXTWSDJMCRF-VGMNWLOBSA-N -1 1 291.311 1.098 20 0 CDADMM C[C@@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)[C@@H](C)[C@H](C)O1 ZINC001590300750 1173343376 /nfs/dbraw/zinc/34/33/76/1173343376.db2.gz DXXRXTWSDJMCRF-VGMNWLOBSA-N -1 1 291.311 1.098 20 0 CDADMM CC[C@H]1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001590506811 1173440965 /nfs/dbraw/zinc/44/09/65/1173440965.db2.gz HRGBTKMDEIJDBY-UWVGGRQHSA-N -1 1 273.344 1.895 20 0 CDADMM CC[C@H]1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001590506811 1173440972 /nfs/dbraw/zinc/44/09/72/1173440972.db2.gz HRGBTKMDEIJDBY-UWVGGRQHSA-N -1 1 273.344 1.895 20 0 CDADMM CC[C@@H]1CC[C@H](C(=O)OCc2ccc(-c3nnn[n-]3)o2)O1 ZINC001590504147 1173441094 /nfs/dbraw/zinc/44/10/94/1173441094.db2.gz CBCDIMGRTJSUIF-LDYMZIIASA-N -1 1 292.295 1.461 20 0 CDADMM CC[C@@H]1CC[C@H](C(=O)OCc2ccc(-c3nn[n-]n3)o2)O1 ZINC001590504147 1173441098 /nfs/dbraw/zinc/44/10/98/1173441098.db2.gz CBCDIMGRTJSUIF-LDYMZIIASA-N -1 1 292.295 1.461 20 0 CDADMM CC[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCCO1 ZINC001590521203 1173447659 /nfs/dbraw/zinc/44/76/59/1173447659.db2.gz LHQSYYNKNFSFIA-SNVBAGLBSA-N -1 1 274.328 1.267 20 0 CDADMM CC[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCCO1 ZINC001590521203 1173447667 /nfs/dbraw/zinc/44/76/67/1173447667.db2.gz LHQSYYNKNFSFIA-SNVBAGLBSA-N -1 1 274.328 1.267 20 0 CDADMM CC[C@H]1CN(c2nc(-c3nnn[n-]3)ccc2C)CCO1 ZINC001590525197 1173452928 /nfs/dbraw/zinc/45/29/28/1173452928.db2.gz VRCDAFPHTTWUBV-JTQLQIEISA-N -1 1 274.328 1.185 20 0 CDADMM CC[C@H]1CN(c2nc(-c3nn[n-]n3)ccc2C)CCO1 ZINC001590525197 1173452931 /nfs/dbraw/zinc/45/29/31/1173452931.db2.gz VRCDAFPHTTWUBV-JTQLQIEISA-N -1 1 274.328 1.185 20 0 CDADMM CCC[C@@H]1CN(c2ccc(C)nc2-c2nnn[n-]2)CCO1 ZINC001590569062 1173466602 /nfs/dbraw/zinc/46/66/02/1173466602.db2.gz MKTIWVAPQKCUGA-LLVKDONJSA-N -1 1 288.355 1.575 20 0 CDADMM CCC[C@@H]1CN(c2ccc(C)nc2-c2nn[n-]n2)CCO1 ZINC001590569062 1173466606 /nfs/dbraw/zinc/46/66/06/1173466606.db2.gz MKTIWVAPQKCUGA-LLVKDONJSA-N -1 1 288.355 1.575 20 0 CDADMM CCN(Cc1ccccn1)c1cncc(-c2nnn[n-]2)n1 ZINC001590722460 1173499046 /nfs/dbraw/zinc/49/90/46/1173499046.db2.gz WBPGLYNQJNCMMT-UHFFFAOYSA-N -1 1 282.311 1.078 20 0 CDADMM CCN(Cc1ccccn1)c1cncc(-c2nn[n-]n2)n1 ZINC001590722460 1173499053 /nfs/dbraw/zinc/49/90/53/1173499053.db2.gz WBPGLYNQJNCMMT-UHFFFAOYSA-N -1 1 282.311 1.078 20 0 CDADMM CCOC1CC2(C[C@H]2Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001590796535 1173512671 /nfs/dbraw/zinc/51/26/71/1173512671.db2.gz XBNFUCLYHDUMLR-GOSTWBGLSA-N -1 1 286.339 1.631 20 0 CDADMM CCOC1CC2(C[C@H]2Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001590796535 1173512675 /nfs/dbraw/zinc/51/26/75/1173512675.db2.gz XBNFUCLYHDUMLR-GOSTWBGLSA-N -1 1 286.339 1.631 20 0 CDADMM CCO[C@@H]1C[C@@H]1COC(=O)c1sccc1-c1nn[n-]n1 ZINC001590794896 1173513202 /nfs/dbraw/zinc/51/32/02/1173513202.db2.gz LBLJDYJFKNHXQT-VXNVDRBHSA-N -1 1 294.336 1.510 20 0 CDADMM CCO[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001590822647 1173523046 /nfs/dbraw/zinc/52/30/46/1173523046.db2.gz GPRSHPFKSPUFKE-QMMMGPOBSA-N -1 1 280.357 1.247 20 0 CDADMM CCc1cnccc1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001590901962 1173538988 /nfs/dbraw/zinc/53/89/88/1173538988.db2.gz NOHKELAFAAJYCB-UHFFFAOYSA-N -1 1 281.323 1.253 20 0 CDADMM CCc1cnccc1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001590901962 1173538992 /nfs/dbraw/zinc/53/89/92/1173538992.db2.gz NOHKELAFAAJYCB-UHFFFAOYSA-N -1 1 281.323 1.253 20 0 CDADMM CCn1ccnc1[C@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590961319 1173550815 /nfs/dbraw/zinc/55/08/15/1173550815.db2.gz VHWJWBDJRMMMTR-VIFPVBQESA-N -1 1 284.327 1.651 20 0 CDADMM CCn1ccnc1[C@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590961319 1173550819 /nfs/dbraw/zinc/55/08/19/1173550819.db2.gz VHWJWBDJRMMMTR-VIFPVBQESA-N -1 1 284.327 1.651 20 0 CDADMM CN(C(=O)C[C@H]1CC=CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590980523 1173555644 /nfs/dbraw/zinc/55/56/44/1173555644.db2.gz NODGPSWNZSLYDU-NSHDSACASA-N -1 1 298.350 1.971 20 0 CDADMM CN(C(=O)C[C@H]1CC=CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590980523 1173555648 /nfs/dbraw/zinc/55/56/48/1173555648.db2.gz NODGPSWNZSLYDU-NSHDSACASA-N -1 1 298.350 1.971 20 0 CDADMM COC(=O)CCCCSc1cccnc1-c1nnn[n-]1 ZINC001591262272 1173596532 /nfs/dbraw/zinc/59/65/32/1173596532.db2.gz PRJAVRCQMBCUOJ-UHFFFAOYSA-N -1 1 293.352 1.697 20 0 CDADMM COC(=O)CCCCSc1cccnc1-c1nn[n-]n1 ZINC001591262272 1173596538 /nfs/dbraw/zinc/59/65/38/1173596538.db2.gz PRJAVRCQMBCUOJ-UHFFFAOYSA-N -1 1 293.352 1.697 20 0 CDADMM CO[C@@H](Cn1ccnc1-c1nnn[n-]1)C1CCCC1 ZINC001591334222 1173616050 /nfs/dbraw/zinc/61/60/50/1173616050.db2.gz NPMQMESTQVNYOD-JTQLQIEISA-N -1 1 262.317 1.268 20 0 CDADMM CO[C@@H](Cn1ccnc1-c1nn[n-]n1)C1CCCC1 ZINC001591334222 1173616059 /nfs/dbraw/zinc/61/60/59/1173616059.db2.gz NPMQMESTQVNYOD-JTQLQIEISA-N -1 1 262.317 1.268 20 0 CDADMM COC1(CNc2cc(C)cc(-c3nnn[n-]3)n2)CCC1 ZINC001591343003 1173620990 /nfs/dbraw/zinc/62/09/90/1173620990.db2.gz NIXFCXPMFMHDSJ-UHFFFAOYSA-N -1 1 274.328 1.551 20 0 CDADMM COC1(CNc2cc(C)cc(-c3nn[n-]n3)n2)CCC1 ZINC001591343003 1173620994 /nfs/dbraw/zinc/62/09/94/1173620994.db2.gz NIXFCXPMFMHDSJ-UHFFFAOYSA-N -1 1 274.328 1.551 20 0 CDADMM CO[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)ncn2)C12CCC2 ZINC001591350666 1173622751 /nfs/dbraw/zinc/62/27/51/1173622751.db2.gz XPWWNXVUIKBNSP-VHSXEESVSA-N -1 1 287.327 1.026 20 0 CDADMM CO[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)ncn2)C12CCC2 ZINC001591350666 1173622756 /nfs/dbraw/zinc/62/27/56/1173622756.db2.gz XPWWNXVUIKBNSP-VHSXEESVSA-N -1 1 287.327 1.026 20 0 CDADMM C[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)c1cccc(O)c1 ZINC001591730112 1173691487 /nfs/dbraw/zinc/69/14/87/1173691487.db2.gz UJXMVGVJRONJPW-MRVPVSSYSA-N -1 1 283.295 1.535 20 0 CDADMM C[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)c1cccc(O)c1 ZINC001591730112 1173691491 /nfs/dbraw/zinc/69/14/91/1173691491.db2.gz UJXMVGVJRONJPW-MRVPVSSYSA-N -1 1 283.295 1.535 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC001591893541 1173740668 /nfs/dbraw/zinc/74/06/68/1173740668.db2.gz CUCGAZIDOXILGQ-KXUCPTDWSA-N -1 1 271.328 1.566 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC001591893541 1173740674 /nfs/dbraw/zinc/74/06/74/1173740674.db2.gz CUCGAZIDOXILGQ-KXUCPTDWSA-N -1 1 271.328 1.566 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCC[C@H]2C)n1 ZINC001591893058 1173741802 /nfs/dbraw/zinc/74/18/02/1173741802.db2.gz YOYXOPQKQPOGBX-PSASIEDQSA-N -1 1 273.344 1.956 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCC[C@H]2C)n1 ZINC001591893058 1173741809 /nfs/dbraw/zinc/74/18/09/1173741809.db2.gz YOYXOPQKQPOGBX-PSASIEDQSA-N -1 1 273.344 1.956 20 0 CDADMM Cc1cc(CNc2cc(-c3nnn[n-]3)ncn2)ccc1F ZINC001591969869 1173763331 /nfs/dbraw/zinc/76/33/31/1173763331.db2.gz SLUGUNQWGACTPZ-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1cc(CNc2cc(-c3nn[n-]n3)ncn2)ccc1F ZINC001591969869 1173763339 /nfs/dbraw/zinc/76/33/39/1173763339.db2.gz SLUGUNQWGACTPZ-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1cc(N2C[C@H](C)C[C@@H](CO)C2)cc(-c2nnn[n-]2)n1 ZINC001591998444 1173768290 /nfs/dbraw/zinc/76/82/90/1173768290.db2.gz HHBJOGBJYQVRRM-MWLCHTKSSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(N2C[C@H](C)C[C@@H](CO)C2)cc(-c2nn[n-]n2)n1 ZINC001591998444 1173768292 /nfs/dbraw/zinc/76/82/92/1173768292.db2.gz HHBJOGBJYQVRRM-MWLCHTKSSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(N2CCC[C@H](CO)[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592005032 1173771455 /nfs/dbraw/zinc/77/14/55/1173771455.db2.gz GPZZYGPPECIWGD-GHMZBOCLSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(N2CCC[C@H](CO)[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592005032 1173771461 /nfs/dbraw/zinc/77/14/61/1173771461.db2.gz GPZZYGPPECIWGD-GHMZBOCLSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)sn1 ZINC001592032094 1173777665 /nfs/dbraw/zinc/77/76/65/1173777665.db2.gz YASGQDSXJTXDHQ-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1cc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)sn1 ZINC001592032094 1173777669 /nfs/dbraw/zinc/77/76/69/1173777669.db2.gz YASGQDSXJTXDHQ-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1cc(NCC[C@H](O)C2CC2)cc(-c2nnn[n-]2)n1 ZINC001592045946 1173784377 /nfs/dbraw/zinc/78/43/77/1173784377.db2.gz MBKDEMRBDYWPRB-LBPRGKRZSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cc(NCC[C@H](O)C2CC2)cc(-c2nn[n-]n2)n1 ZINC001592045946 1173784380 /nfs/dbraw/zinc/78/43/80/1173784380.db2.gz MBKDEMRBDYWPRB-LBPRGKRZSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cc(OCc2ccc(-c3nnn[n-]3)o2)nn1C ZINC001592058802 1173791847 /nfs/dbraw/zinc/79/18/47/1173791847.db2.gz HYMLHOFSMFIPKB-UHFFFAOYSA-N -1 1 260.257 1.081 20 0 CDADMM Cc1cc(OCc2ccc(-c3nn[n-]n3)o2)nn1C ZINC001592058802 1173791852 /nfs/dbraw/zinc/79/18/52/1173791852.db2.gz HYMLHOFSMFIPKB-UHFFFAOYSA-N -1 1 260.257 1.081 20 0 CDADMM Cc1ccc(C)c(CN(C)c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001592140597 1173811976 /nfs/dbraw/zinc/81/19/76/1173811976.db2.gz KELVFKYKIHKHAR-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccc(C)c(CN(C)c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001592140597 1173811982 /nfs/dbraw/zinc/81/19/82/1173811982.db2.gz KELVFKYKIHKHAR-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccc(N2C[C@H](C)C[C@@H](CO)C2)c(-c2nnn[n-]2)n1 ZINC001592176200 1173824141 /nfs/dbraw/zinc/82/41/41/1173824141.db2.gz XIXDGRVFVSDYKZ-MWLCHTKSSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(N2C[C@H](C)C[C@@H](CO)C2)c(-c2nn[n-]n2)n1 ZINC001592176200 1173824148 /nfs/dbraw/zinc/82/41/48/1173824148.db2.gz XIXDGRVFVSDYKZ-MWLCHTKSSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(NC[C@H]2CCO[C@@H](C)C2)nc1-c1nnn[n-]1 ZINC001592183576 1173828040 /nfs/dbraw/zinc/82/80/40/1173828040.db2.gz UPJGENFGVJXUFS-QWRGUYRKSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(NC[C@H]2CCO[C@@H](C)C2)nc1-c1nn[n-]n1 ZINC001592183576 1173828042 /nfs/dbraw/zinc/82/80/42/1173828042.db2.gz UPJGENFGVJXUFS-QWRGUYRKSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc2c(c1)[C@H](Nc1ccnc(-c3nnn[n-]3)c1)CO2 ZINC001592201275 1173832262 /nfs/dbraw/zinc/83/22/62/1173832262.db2.gz QFUZKLZVZCMHML-CYBMUJFWSA-N -1 1 294.318 1.538 20 0 CDADMM Cc1ccc2c(c1)[C@H](Nc1ccnc(-c3nn[n-]n3)c1)CO2 ZINC001592201275 1173832266 /nfs/dbraw/zinc/83/22/66/1173832266.db2.gz QFUZKLZVZCMHML-CYBMUJFWSA-N -1 1 294.318 1.538 20 0 CDADMM Cc1ccccc1[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001592251738 1173836313 /nfs/dbraw/zinc/83/63/13/1173836313.db2.gz NGPRVKCPBHRNKX-LBPRGKRZSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1ccccc1[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001592251738 1173836318 /nfs/dbraw/zinc/83/63/18/1173836318.db2.gz NGPRVKCPBHRNKX-LBPRGKRZSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1coc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1C ZINC001592306213 1173851940 /nfs/dbraw/zinc/85/19/40/1173851940.db2.gz UQGLKLJDLHOXDS-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1coc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1C ZINC001592306213 1173851942 /nfs/dbraw/zinc/85/19/42/1173851942.db2.gz UQGLKLJDLHOXDS-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N(C)Cc2ccc(F)cc2)n1 ZINC001592339198 1173858833 /nfs/dbraw/zinc/85/88/33/1173858833.db2.gz YKQLTLDKDYKMCQ-UHFFFAOYSA-N -1 1 299.313 1.741 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N(C)Cc2ccc(F)cc2)n1 ZINC001592339198 1173858841 /nfs/dbraw/zinc/85/88/41/1173858841.db2.gz YKQLTLDKDYKMCQ-UHFFFAOYSA-N -1 1 299.313 1.741 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@@H]2CCO[C@@H](C)C2)c1C ZINC001592340617 1173862881 /nfs/dbraw/zinc/86/28/81/1173862881.db2.gz YOTYAVFHAKXQAE-GZMMTYOYSA-N -1 1 276.344 1.495 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@@H]2CCO[C@@H](C)C2)c1C ZINC001592340617 1173862883 /nfs/dbraw/zinc/86/28/83/1173862883.db2.gz YOTYAVFHAKXQAE-GZMMTYOYSA-N -1 1 276.344 1.495 20 0 CDADMM Cc1nc(Oc2cncc(F)c2)cc(-c2nnn[n-]2)n1 ZINC001592397092 1173881760 /nfs/dbraw/zinc/88/17/60/1173881760.db2.gz CTFUEFVJSFVEGF-UHFFFAOYSA-N -1 1 273.231 1.292 20 0 CDADMM Cc1nc(Oc2cncc(F)c2)cc(-c2nn[n-]n2)n1 ZINC001592397092 1173881766 /nfs/dbraw/zinc/88/17/66/1173881766.db2.gz CTFUEFVJSFVEGF-UHFFFAOYSA-N -1 1 273.231 1.292 20 0 CDADMM Cc1nn(C)c(NC(=O)C(F)=C2CCC2)c1-c1nnn[n-]1 ZINC001592441238 1173891720 /nfs/dbraw/zinc/89/17/20/1173891720.db2.gz CEOPYYIFEBNGDX-UHFFFAOYSA-N -1 1 291.290 1.255 20 0 CDADMM Cc1nn(C)c(NC(=O)C(F)=C2CCC2)c1-c1nn[n-]n1 ZINC001592441238 1173891725 /nfs/dbraw/zinc/89/17/25/1173891725.db2.gz CEOPYYIFEBNGDX-UHFFFAOYSA-N -1 1 291.290 1.255 20 0 CDADMM Cc1nsc(N2C[C@H](C)[C@@](C)(CO)C2)c1-c1nn[n-]n1 ZINC001592471885 1173899422 /nfs/dbraw/zinc/89/94/22/1173899422.db2.gz JZLJYWNNXBCQAV-JVXZTZIISA-N -1 1 294.384 1.086 20 0 CDADMM Cc1nsc(Oc2ccc(F)nc2-c2nn[n-]n2)n1 ZINC001592494518 1173903172 /nfs/dbraw/zinc/90/31/72/1173903172.db2.gz ZUSFPVLGELQFAJ-UHFFFAOYSA-N -1 1 279.260 1.353 20 0 CDADMM FC1(F)C[C@]12CCCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001592628920 1173937299 /nfs/dbraw/zinc/93/72/99/1173937299.db2.gz CILAKWUNKUVUGO-NSHDSACASA-N -1 1 293.281 1.282 20 0 CDADMM FC1(F)C[C@]12CCCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001592628920 1173937301 /nfs/dbraw/zinc/93/73/01/1173937301.db2.gz CILAKWUNKUVUGO-NSHDSACASA-N -1 1 293.281 1.282 20 0 CDADMM F[C@@]1(c2ccccc2)C[C@@H]1Nc1ncncc1-c1nn[n-]n1 ZINC001592630332 1173938986 /nfs/dbraw/zinc/93/89/86/1173938986.db2.gz IPUONIKOYXWMDR-SMDDNHRTSA-N -1 1 297.297 1.706 20 0 CDADMM O=C(C[C@@H]1CCOC1)OCc1ccc(-c2nn[n-]n2)s1 ZINC001592824418 1173994172 /nfs/dbraw/zinc/99/41/72/1173994172.db2.gz QTKNSBMPNRJYJX-QMMMGPOBSA-N -1 1 294.336 1.398 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1cccc(F)c1 ZINC001592915911 1174003571 /nfs/dbraw/zinc/00/35/71/1174003571.db2.gz WRSZDGIITZGQQH-UHFFFAOYSA-N -1 1 298.281 1.582 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1cccc(F)c1 ZINC001592915911 1174003576 /nfs/dbraw/zinc/00/35/76/1174003576.db2.gz WRSZDGIITZGQQH-UHFFFAOYSA-N -1 1 298.281 1.582 20 0 CDADMM O=C(Cn1cc(-c2nn[n-]n2)ccc1=O)c1ccc(F)cc1 ZINC001592936118 1174005679 /nfs/dbraw/zinc/00/56/79/1174005679.db2.gz GSBROKJROUNJOC-UHFFFAOYSA-N -1 1 299.265 1.050 20 0 CDADMM O=C(NC[C@]12C[C@H]1CCCC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001593021529 1174011671 /nfs/dbraw/zinc/01/16/71/1174011671.db2.gz IPDIOWCYZYMDPY-ABAIWWIYSA-N -1 1 298.350 1.572 20 0 CDADMM O=C(NC[C@]12C[C@H]1CCCC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001593021529 1174011676 /nfs/dbraw/zinc/01/16/76/1174011676.db2.gz IPDIOWCYZYMDPY-ABAIWWIYSA-N -1 1 298.350 1.572 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)OCCCF ZINC001593136359 1174022896 /nfs/dbraw/zinc/02/28/96/1174022896.db2.gz MHLTVRJUMMKJRW-UHFFFAOYSA-N -1 1 285.304 1.514 20 0 CDADMM O=C(Nc1ccon1)c1ccc(-c2nn[n-]n2)s1 ZINC001593257213 1174041867 /nfs/dbraw/zinc/04/18/67/1174041867.db2.gz SSUCCRQEORIKQY-UHFFFAOYSA-N -1 1 262.254 1.169 20 0 CDADMM O=C(OC(C1CC1)C1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593280846 1174047891 /nfs/dbraw/zinc/04/78/91/1174047891.db2.gz BHPIKUPIJSMDDQ-UHFFFAOYSA-N -1 1 285.307 1.607 20 0 CDADMM O=C(OC(C1CC1)C1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593280846 1174047897 /nfs/dbraw/zinc/04/78/97/1174047897.db2.gz BHPIKUPIJSMDDQ-UHFFFAOYSA-N -1 1 285.307 1.607 20 0 CDADMM O=C(OC[C@H]1C[C@H]2C[C@H]2C1)c1cccc(-c2nnn[n-]2)n1 ZINC001593291411 1174053515 /nfs/dbraw/zinc/05/35/15/1174053515.db2.gz OIGUILXQUVCAAL-OWUUHHOZSA-N -1 1 285.307 1.465 20 0 CDADMM O=C(OC[C@H]1C[C@H]2C[C@H]2C1)c1cccc(-c2nn[n-]n2)n1 ZINC001593291411 1174053524 /nfs/dbraw/zinc/05/35/24/1174053524.db2.gz OIGUILXQUVCAAL-OWUUHHOZSA-N -1 1 285.307 1.465 20 0 CDADMM O=c1c2c([n-]n1Cc1cccc(-c3nn[nH]n3)c1)CCC2 ZINC001593382318 1174072721 /nfs/dbraw/zinc/07/27/21/1174072721.db2.gz MLLADYZONSXNNV-NSHDSACASA-N -1 1 282.307 1.365 20 0 CDADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1Cc1ccon1 ZINC001593493569 1174086225 /nfs/dbraw/zinc/08/62/25/1174086225.db2.gz BDEWMLBAEYJFTB-UHFFFAOYSA-N -1 1 294.274 1.218 20 0 CDADMM c1c(NCC2CC2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543776 1174112430 /nfs/dbraw/zinc/11/24/30/1174112430.db2.gz YRSGXOFHUPIXRO-UHFFFAOYSA-N -1 1 257.301 1.356 20 0 CDADMM c1c(NCC2CC2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543776 1174112436 /nfs/dbraw/zinc/11/24/36/1174112436.db2.gz YRSGXOFHUPIXRO-UHFFFAOYSA-N -1 1 257.301 1.356 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CCOC[C@@H]2CC2CC2)c1 ZINC001593549709 1174122492 /nfs/dbraw/zinc/12/24/92/1174122492.db2.gz BTFPSAGQHQNORK-NSHDSACASA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CCOC[C@@H]2CC2CC2)c1 ZINC001593549709 1174122494 /nfs/dbraw/zinc/12/24/94/1174122494.db2.gz BTFPSAGQHQNORK-NSHDSACASA-N -1 1 286.339 1.267 20 0 CDADMM c1c[nH]c([C@@H]2CCCN2Cc2cccc(-c3nn[n-]n3)n2)n1 ZINC001593555780 1174130454 /nfs/dbraw/zinc/13/04/54/1174130454.db2.gz SBJKQSPKWJFVNC-LBPRGKRZSA-N -1 1 296.338 1.322 20 0 CDADMM c1cc(Oc2cc(-c3nnn[n-]3)ncn2)c2c(c1)OCCO2 ZINC001593564786 1174140176 /nfs/dbraw/zinc/14/01/76/1174140176.db2.gz ABWQHVWDCWFMBA-UHFFFAOYSA-N -1 1 298.262 1.220 20 0 CDADMM c1cc(Oc2cc(-c3nn[n-]n3)ncn2)c2c(c1)OCCO2 ZINC001593564786 1174140178 /nfs/dbraw/zinc/14/01/78/1174140178.db2.gz ABWQHVWDCWFMBA-UHFFFAOYSA-N -1 1 298.262 1.220 20 0 CDADMM c1ccc2c(c1)CN(c1cc(-c3nnn[n-]3)ncn1)CCO2 ZINC001593581035 1174147883 /nfs/dbraw/zinc/14/78/83/1174147883.db2.gz YUZGKPHHOAELIG-UHFFFAOYSA-N -1 1 295.306 1.056 20 0 CDADMM c1ccc2c(c1)CN(c1cc(-c3nn[n-]n3)ncn1)CCO2 ZINC001593581035 1174147888 /nfs/dbraw/zinc/14/78/88/1174147888.db2.gz YUZGKPHHOAELIG-UHFFFAOYSA-N -1 1 295.306 1.056 20 0 CDADMM c1cnc2cc(Oc3cncc(-c4nnn[n-]4)n3)ccc2c1 ZINC001593587321 1174153105 /nfs/dbraw/zinc/15/31/05/1174153105.db2.gz HEELHXYTWPCXQU-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1cnc2cc(Oc3cncc(-c4nn[n-]n4)n3)ccc2c1 ZINC001593587321 1174153106 /nfs/dbraw/zinc/15/31/06/1174153106.db2.gz HEELHXYTWPCXQU-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CC3(C2)CCCC3)n1 ZINC001593589372 1174154953 /nfs/dbraw/zinc/15/49/53/1174154953.db2.gz WIDKUBJGLPFQJB-UHFFFAOYSA-N -1 1 257.301 1.037 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CC3(C2)CCCC3)n1 ZINC001593589372 1174154957 /nfs/dbraw/zinc/15/49/57/1174154957.db2.gz WIDKUBJGLPFQJB-UHFFFAOYSA-N -1 1 257.301 1.037 20 0 CDADMM c1coc(CSc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001593588521 1174156329 /nfs/dbraw/zinc/15/63/29/1174156329.db2.gz CBBLYEQSHAEXRN-UHFFFAOYSA-N -1 1 260.282 1.542 20 0 CDADMM c1coc(CSc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001593588521 1174156331 /nfs/dbraw/zinc/15/63/31/1174156331.db2.gz CBBLYEQSHAEXRN-UHFFFAOYSA-N -1 1 260.282 1.542 20 0 CDADMM c1nn(C2CCC2)cc1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001593593981 1174162424 /nfs/dbraw/zinc/16/24/24/1174162424.db2.gz XUZMIWOIYXDABM-UHFFFAOYSA-N -1 1 283.299 1.322 20 0 CDADMM c1nn(C2CCC2)cc1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001593593981 1174162431 /nfs/dbraw/zinc/16/24/31/1174162431.db2.gz XUZMIWOIYXDABM-UHFFFAOYSA-N -1 1 283.299 1.322 20 0 CDADMM c1cn2ncc(-c3nn[n-]n3)c2n1CCC1CCOCC1 ZINC001593593853 1174162553 /nfs/dbraw/zinc/16/25/53/1174162553.db2.gz VQBGRLXZDBPUBZ-UHFFFAOYSA-N -1 1 287.327 1.133 20 0 CDADMM CCn1cc(CN[C@@H](C(=O)[O-])c2cccc(O)c2)c(C)n1 ZINC001597889588 1174296238 /nfs/dbraw/zinc/29/62/38/1174296238.db2.gz JLBLURYJBAPUSL-CQSZACIVSA-N -1 1 289.335 1.833 20 0 CDADMM Cc1cc(CN2C[C@@H](O)CC[C@@H]2C)[nH]c1C(=O)[O-] ZINC001600195888 1174402639 /nfs/dbraw/zinc/40/26/39/1174402639.db2.gz FOJLTUZBSFZNSM-ONGXEEELSA-N -1 1 252.314 1.367 20 0 CDADMM Cc1cc(CNC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)n[nH]1 ZINC001600198561 1174403143 /nfs/dbraw/zinc/40/31/43/1174403143.db2.gz OIAZAGNSGMUMQI-BBRMVZONSA-N -1 1 299.330 1.593 20 0 CDADMM Cc1ccc([C@H](N)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC001600380387 1174459148 /nfs/dbraw/zinc/45/91/48/1174459148.db2.gz IRRGNUSKJVEZGA-FZMZJTMJSA-N -1 1 280.299 1.020 20 0 CDADMM c1ccc2c(c1)CCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC000095250552 1174517864 /nfs/dbraw/zinc/51/78/64/1174517864.db2.gz NJORGHWNRQRYEN-UHFFFAOYSA-N -1 1 279.307 1.219 20 0 CDADMM c1ccc2c(c1)CCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC000095250552 1174517869 /nfs/dbraw/zinc/51/78/69/1174517869.db2.gz NJORGHWNRQRYEN-UHFFFAOYSA-N -1 1 279.307 1.219 20 0 CDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1c[nH]cc1C1CC1 ZINC001601565900 1174902051 /nfs/dbraw/zinc/90/20/51/1174902051.db2.gz PQENZLJCTCRUKE-LBPRGKRZSA-N -1 1 288.307 1.041 20 0 CDADMM O=C([O-])[C@H](c1cccnc1)N1CCc2cc(O)ccc2C1 ZINC001601696521 1174949362 /nfs/dbraw/zinc/94/93/62/1174949362.db2.gz GXSFXZPAGPMYSV-HNNXBMFYSA-N -1 1 284.315 1.971 20 0 CDADMM O=C([O-])[C@@]1(F)CCN(C[C@H]2CCC3(CCCC3)O2)C1 ZINC001601717271 1174965558 /nfs/dbraw/zinc/96/55/58/1174965558.db2.gz VPVPANSJVNKMEP-BXUZGUMPSA-N -1 1 271.332 1.977 20 0 CDADMM O=C([O-])[C@H]1CC[C@H](NCc2nnc(C3CC3)s2)C1 ZINC001601796427 1175011057 /nfs/dbraw/zinc/01/10/57/1175011057.db2.gz SSXSSBCAKVDDEC-IUCAKERBSA-N -1 1 267.354 1.758 20 0 CDADMM O=C([O-])CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC001601889037 1175053209 /nfs/dbraw/zinc/05/32/09/1175053209.db2.gz PXUDUPTYPUQNOG-UHFFFAOYSA-N -1 1 294.376 1.649 20 0 CDADMM O=C([O-])Cc1ccccc1CN1CCO[C@]2(CCOC2)C1 ZINC001602143210 1175140693 /nfs/dbraw/zinc/14/06/93/1175140693.db2.gz LMHVIFYXGNPPRQ-MRXNPFEDSA-N -1 1 291.347 1.305 20 0 CDADMM O=C([O-])[C@]12CN(Cc3ccc(Cl)nn3)C[C@H]1COCC2 ZINC001602207679 1175165329 /nfs/dbraw/zinc/16/53/29/1175165329.db2.gz HZVLTHSCKCNSKD-TVQRCGJNSA-N -1 1 297.742 1.053 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(Cn3cc(-c4ccccc4)cn3)C[C@@H]21 ZINC001602206461 1175165983 /nfs/dbraw/zinc/16/59/83/1175165983.db2.gz KPPKJBVBQFZBGT-FICVDOATSA-N -1 1 283.331 1.770 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)on1 ZINC001602248815 1175180017 /nfs/dbraw/zinc/18/00/17/1175180017.db2.gz ANRPAXFYRFDUJX-UHFFFAOYSA-N -1 1 290.157 1.367 20 0 CDADMM O=C([O-])c1cc(CNc2cnn(-c3ccncc3)c2)c[nH]1 ZINC001602262402 1175188278 /nfs/dbraw/zinc/18/82/78/1175188278.db2.gz QLWTUFDYIPDPSV-UHFFFAOYSA-N -1 1 283.291 1.906 20 0 CDADMM O=C([O-])c1ccc(CN2C[C@H]3C[C@@]3(CO)C2)cc1Cl ZINC001602335998 1175210658 /nfs/dbraw/zinc/21/06/58/1175210658.db2.gz FHXINBSGNKLUBM-YGRLFVJLSA-N -1 1 281.739 1.852 20 0 CDADMM C/C(=C\C(=O)[O-])CN1CCN(c2ccc(Cl)cn2)CC1 ZINC001602956966 1175457412 /nfs/dbraw/zinc/45/74/12/1175457412.db2.gz BUETWWLBELPKFE-DHZHZOJOSA-N -1 1 295.770 1.888 20 0 CDADMM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)o1)C(F)(F)F ZINC001603036183 1175479765 /nfs/dbraw/zinc/47/97/65/1175479765.db2.gz CSEDXCLPSGWPRV-RXMQYKEDSA-N -1 1 290.201 1.701 20 0 CDADMM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)o1)C(F)(F)F ZINC001603036183 1175479769 /nfs/dbraw/zinc/47/97/69/1175479769.db2.gz CSEDXCLPSGWPRV-RXMQYKEDSA-N -1 1 290.201 1.701 20 0 CDADMM CC(C)(C)c1ncc(CNc2n[nH]cc2-c2nnn[n-]2)cn1 ZINC001603125678 1175496129 /nfs/dbraw/zinc/49/61/29/1175496129.db2.gz RAJPWSPUAWOVHR-UHFFFAOYSA-N -1 1 299.342 1.289 20 0 CDADMM CC(C)(C)c1ncc(CNc2n[nH]cc2-c2nn[n-]n2)cn1 ZINC001603125678 1175496134 /nfs/dbraw/zinc/49/61/34/1175496134.db2.gz RAJPWSPUAWOVHR-UHFFFAOYSA-N -1 1 299.342 1.289 20 0 CDADMM C[C@H](C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1)c1ccco1 ZINC001603146076 1175500057 /nfs/dbraw/zinc/50/00/57/1175500057.db2.gz MHHOROODJXYPOE-NEPJUHHUSA-N -1 1 294.351 1.391 20 0 CDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H](C)C2CCC2)CC1 ZINC001603145050 1175500809 /nfs/dbraw/zinc/50/08/09/1175500809.db2.gz AJBOGTQNYWMKLD-VXGBXAGGSA-N -1 1 282.384 1.430 20 0 CDADMM C[C@@H](C(=O)Nc1nn(C)cc1C(=O)[O-])N1CCCCCC1 ZINC001603181135 1175510033 /nfs/dbraw/zinc/51/00/33/1175510033.db2.gz PURQPDWNXNSUBZ-JTQLQIEISA-N -1 1 294.355 1.321 20 0 CDADMM CC(C)CC(=O)COC(=O)c1ccsc1-c1nnn[n-]1 ZINC001603253302 1175526252 /nfs/dbraw/zinc/52/62/52/1175526252.db2.gz OGGLCKWRTUDZDC-UHFFFAOYSA-N -1 1 294.336 1.700 20 0 CDADMM CC(C)CC(=O)COC(=O)c1ccsc1-c1nn[n-]n1 ZINC001603253302 1175526261 /nfs/dbraw/zinc/52/62/61/1175526261.db2.gz OGGLCKWRTUDZDC-UHFFFAOYSA-N -1 1 294.336 1.700 20 0 CDADMM CC(C)C[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001603271664 1175531040 /nfs/dbraw/zinc/53/10/40/1175531040.db2.gz ZNLVCSBRDLVXBO-SNVBAGLBSA-N -1 1 273.344 1.672 20 0 CDADMM CC(C)C[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001603271664 1175531046 /nfs/dbraw/zinc/53/10/46/1175531046.db2.gz ZNLVCSBRDLVXBO-SNVBAGLBSA-N -1 1 273.344 1.672 20 0 CDADMM CC(C)(C)CC(C)(C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001603323208 1175540160 /nfs/dbraw/zinc/54/01/60/1175540160.db2.gz VNVNHWBVNYEYJH-NSHDSACASA-N -1 1 295.383 1.984 20 0 CDADMM CC(C)(C)N1CC[C@@H]1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001603345002 1175545372 /nfs/dbraw/zinc/54/53/72/1175545372.db2.gz YYHQHPJGUDGIFJ-CYBMUJFWSA-N -1 1 296.411 1.963 20 0 CDADMM CC(C)O[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001603357793 1175547578 /nfs/dbraw/zinc/54/75/78/1175547578.db2.gz ZJVYQHQYNTVJBB-DTORHVGOSA-N -1 1 291.311 1.146 20 0 CDADMM CC(C)O[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001603357793 1175547586 /nfs/dbraw/zinc/54/75/86/1175547586.db2.gz ZJVYQHQYNTVJBB-DTORHVGOSA-N -1 1 291.311 1.146 20 0 CDADMM C[C@@H](NC(=O)c1ccsc1-c1nnn[n-]1)c1cn[nH]c1 ZINC001603650087 1175585798 /nfs/dbraw/zinc/58/57/98/1175585798.db2.gz UXBXEFRKYJIIHH-ZCFIWIBFSA-N -1 1 289.324 1.142 20 0 CDADMM C[C@@H](NC(=O)c1ccsc1-c1nn[n-]n1)c1cn[nH]c1 ZINC001603650087 1175585804 /nfs/dbraw/zinc/58/58/04/1175585804.db2.gz UXBXEFRKYJIIHH-ZCFIWIBFSA-N -1 1 289.324 1.142 20 0 CDADMM CC(C)[C@H](C(=O)O[C@H]1C=CC[C@@H](C(=O)[O-])C1)N(C)C ZINC001603714094 1175606676 /nfs/dbraw/zinc/60/66/76/1175606676.db2.gz MDNRPCHZYFZQKZ-GRYCIOLGSA-N -1 1 269.341 1.535 20 0 CDADMM CC1(C)CCCC[C@@H]1C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001603773636 1175626873 /nfs/dbraw/zinc/62/68/73/1175626873.db2.gz LHCYWCWUYOSRDG-MRVPVSSYSA-N -1 1 289.343 1.745 20 0 CDADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1c1ccco1 ZINC001603787293 1175630371 /nfs/dbraw/zinc/63/03/71/1175630371.db2.gz KLDKZPHWWYIUMU-NSHDSACASA-N -1 1 297.322 1.837 20 0 CDADMM CC1=C(C(=O)OCc2cccnc2-c2nnn[n-]2)CCC1 ZINC001603827438 1175646774 /nfs/dbraw/zinc/64/67/74/1175646774.db2.gz OEHPHQFGUUIDBB-UHFFFAOYSA-N -1 1 285.307 1.805 20 0 CDADMM CC1=C(C(=O)OCc2cccnc2-c2nn[n-]n2)CCC1 ZINC001603827438 1175646778 /nfs/dbraw/zinc/64/67/78/1175646778.db2.gz OEHPHQFGUUIDBB-UHFFFAOYSA-N -1 1 285.307 1.805 20 0 CDADMM C[C@H]1C[C@@H]1Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC001603870389 1175662701 /nfs/dbraw/zinc/66/27/01/1175662701.db2.gz HIGDBFGRFVMCAS-VHSXEESVSA-N -1 1 281.319 1.838 20 0 CDADMM C[C@H]1CC[C@H](CNc2cccc(-c3nnn[n-]3)n2)O1 ZINC001603878331 1175666172 /nfs/dbraw/zinc/66/61/72/1175666172.db2.gz NLURGGBCTGUCGY-DTWKUNHWSA-N -1 1 260.301 1.241 20 0 CDADMM C[C@H]1CC[C@H](CNc2cccc(-c3nn[n-]n3)n2)O1 ZINC001603878331 1175666177 /nfs/dbraw/zinc/66/61/77/1175666177.db2.gz NLURGGBCTGUCGY-DTWKUNHWSA-N -1 1 260.301 1.241 20 0 CDADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001603879703 1175667628 /nfs/dbraw/zinc/66/76/28/1175667628.db2.gz CVEDOXJXUQPHBI-HTQZYQBOSA-N -1 1 261.285 1.378 20 0 CDADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001603879703 1175667632 /nfs/dbraw/zinc/66/76/32/1175667632.db2.gz CVEDOXJXUQPHBI-HTQZYQBOSA-N -1 1 261.285 1.378 20 0 CDADMM C[C@@H]1[C@@H](C)CCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603903748 1175678582 /nfs/dbraw/zinc/67/85/82/1175678582.db2.gz TXVVQFUBYWRKNA-JGVFFNPUSA-N -1 1 261.285 1.330 20 0 CDADMM C[C@@H]1[C@@H](C)CCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001603903748 1175678585 /nfs/dbraw/zinc/67/85/85/1175678585.db2.gz TXVVQFUBYWRKNA-JGVFFNPUSA-N -1 1 261.285 1.330 20 0 CDADMM C[C@H]1SCCN(Cc2nc(-c3nnn[n-]3)cs2)[C@@H]1C ZINC001603954510 1175696797 /nfs/dbraw/zinc/69/67/97/1175696797.db2.gz DNINJAJCFAXFLK-HTQZYQBOSA-N -1 1 296.425 1.649 20 0 CDADMM C[C@H]1SCCN(Cc2nc(-c3nn[n-]n3)cs2)[C@@H]1C ZINC001603954510 1175696803 /nfs/dbraw/zinc/69/68/03/1175696803.db2.gz DNINJAJCFAXFLK-HTQZYQBOSA-N -1 1 296.425 1.649 20 0 CDADMM CC[C@](C)(O)CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001603987059 1175709822 /nfs/dbraw/zinc/70/98/22/1175709822.db2.gz KBDJWXJVPNSGNC-ZDUSSCGKSA-N -1 1 289.343 1.107 20 0 CDADMM CC[C@](C)(O)CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001603987059 1175709828 /nfs/dbraw/zinc/70/98/28/1175709828.db2.gz KBDJWXJVPNSGNC-ZDUSSCGKSA-N -1 1 289.343 1.107 20 0 CDADMM CC(C)c1nc(CN2CC[C@@](C)(C(=O)[O-])C2)n[nH]1 ZINC001604013792 1175718979 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CDADMM O=C1C[C@H]2CC(Nc3[n-]c(=O)nc4nc[nH]c43)C[C@@H]2C1 ZINC001254932982 947659933 /nfs/dbraw/zinc/65/99/33/947659933.db2.gz DLPMCGCRIFOESJ-RNFRBKRXSA-N -1 1 273.296 1.228 20 0 CDADMM CC(=Cc1ccccn1)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001573367133 947754999 /nfs/dbraw/zinc/75/49/99/947754999.db2.gz XTYZBBIYYNPGJD-VURMDHGXSA-N -1 1 296.294 1.027 20 0 CDADMM O=C([N-]CCCc1nnc(C2CCC2)o1)C(F)(F)F ZINC001255201858 947778778 /nfs/dbraw/zinc/77/87/78/947778778.db2.gz LFRXFBXCWAYPDI-UHFFFAOYSA-N -1 1 277.246 1.948 20 0 CDADMM CCc1cc(=O)n(-c2ccc(S(C)(=O)=O)cc2)[n-]1 ZINC001245916367 947844900 /nfs/dbraw/zinc/84/49/00/947844900.db2.gz GQKOKURIGMDZFV-UHFFFAOYSA-N -1 1 266.322 1.544 20 0 CDADMM COCCc1cc(=O)n(-c2ccc(S(=O)(=O)[O-])cc2)[nH]1 ZINC001245938834 947858272 /nfs/dbraw/zinc/85/82/72/947858272.db2.gz BQIYGFHKNGXNRC-UHFFFAOYSA-N -1 1 298.320 1.014 20 0 CDADMM COc1cc(C)ccc1-c1noc(Cc2nnn[n-]2)n1 ZINC001247140148 948600515 /nfs/dbraw/zinc/60/05/15/948600515.db2.gz PXQRYIBSXZFQDJ-UHFFFAOYSA-N -1 1 272.268 1.158 20 0 CDADMM COc1cc(C)ccc1-c1noc(Cc2nn[n-]n2)n1 ZINC001247140148 948600518 /nfs/dbraw/zinc/60/05/18/948600518.db2.gz PXQRYIBSXZFQDJ-UHFFFAOYSA-N -1 1 272.268 1.158 20 0 CDADMM O=C(Nc1ccc2c(c1)CCNC2=O)c1ccc([O-])cn1 ZINC001362657954 971500398 /nfs/dbraw/zinc/50/03/98/971500398.db2.gz RWNSAPFCKNVLFS-UHFFFAOYSA-N -1 1 283.287 1.325 20 0 CDADMM CC(C)[C@H](C)NC(=O)CN1CCC[C@H](CCC(=O)[O-])C1 ZINC000043585696 948890426 /nfs/dbraw/zinc/89/04/26/948890426.db2.gz RYFBGXYTFWBGLV-QWHCGFSZSA-N -1 1 284.400 1.724 20 0 CDADMM CC(C)c1oncc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001362685974 971528541 /nfs/dbraw/zinc/52/85/41/971528541.db2.gz ISNANSWODASPFU-VIFPVBQESA-N -1 1 290.327 1.331 20 0 CDADMM O=C([O-])c1ccc(Nc2c(O)nc[nH]c2=O)c(Cl)c1 ZINC001248551077 949072799 /nfs/dbraw/zinc/07/27/99/949072799.db2.gz GKGQDBKCKYVVDL-UHFFFAOYSA-N -1 1 281.655 1.983 20 0 CDADMM Nc1[nH]c(=S)[n-]c(=O)c1Nc1cc2cccnc2[nH]1 ZINC001248703137 949100756 /nfs/dbraw/zinc/10/07/56/949100756.db2.gz 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O=C([O-])CC[N@@H+](CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000739719096 576284344 /nfs/dbraw/zinc/28/43/44/576284344.db2.gz QXTVJVKQTOTEFX-UHFFFAOYSA-N -1 1 273.235 1.326 20 0 CDADMM O=C(CSc1n[nH]c(=S)s1)[N-]OCC(F)F ZINC000760145366 576460894 /nfs/dbraw/zinc/46/08/94/576460894.db2.gz WGKYKQYAHDASCV-UHFFFAOYSA-N -1 1 287.338 1.232 20 0 CDADMM CC(F)(F)CC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000760812238 576512213 /nfs/dbraw/zinc/51/22/13/576512213.db2.gz KHCINAYYIIPMAQ-SNVBAGLBSA-N -1 1 281.266 1.451 20 0 CDADMM O=C(NCc1ccon1)c1c([O-])cccc1Cl ZINC000747522647 576873633 /nfs/dbraw/zinc/87/36/33/576873633.db2.gz PCPWBPCTWSIPTD-UHFFFAOYSA-N -1 1 252.657 1.964 20 0 CDADMM CCOc1ncccc1C[N-]C(=O)C(F)(F)C(F)F ZINC000749343029 576943802 /nfs/dbraw/zinc/94/38/02/576943802.db2.gz VWSJCDYQJYECNN-UHFFFAOYSA-N -1 1 280.221 1.997 20 0 CDADMM C[C@H]([N-]C(=O)C(F)(F)c1nccs1)c1ncnn1C ZINC000756768505 577003838 /nfs/dbraw/zinc/00/38/38/577003838.db2.gz DWPLGMDMMXJLIE-LURJTMIESA-N -1 1 287.295 1.241 20 0 CDADMM CC1(CC(=O)OCCC[N-]C(=O)C(F)(F)F)CC1 ZINC000758837105 577135725 /nfs/dbraw/zinc/13/57/25/577135725.db2.gz JHKJQMXZINEPTG-UHFFFAOYSA-N -1 1 267.247 1.788 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC1(CO)CCC1 ZINC000753287445 577159266 /nfs/dbraw/zinc/15/92/66/577159266.db2.gz CLAZIIVNYPCABY-UHFFFAOYSA-N -1 1 293.367 1.506 20 0 CDADMM O=C([O-])CCNC(=O)CN(CCc1ccccc1)C1CC1 ZINC001602020049 1175112493 /nfs/dbraw/zinc/11/24/93/1175112493.db2.gz UWHKHGHOPNHTIT-UHFFFAOYSA-N -1 1 290.363 1.284 20 0 CDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC1 ZINC000103632340 598955215 /nfs/dbraw/zinc/95/52/15/598955215.db2.gz UKODATSZGOGISN-UHFFFAOYSA-N -1 1 253.269 1.020 20 0 CDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC1 ZINC000103632340 598955216 /nfs/dbraw/zinc/95/52/16/598955216.db2.gz UKODATSZGOGISN-UHFFFAOYSA-N -1 1 253.269 1.020 20 0 CDADMM C[C@H](CCO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000095153397 598969752 /nfs/dbraw/zinc/96/97/52/598969752.db2.gz ALWBHFHZLOSQBQ-SCSAIBSYSA-N -1 1 274.737 1.159 20 0 CDADMM C[C@H](CCO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000095153397 598969754 /nfs/dbraw/zinc/96/97/54/598969754.db2.gz ALWBHFHZLOSQBQ-SCSAIBSYSA-N -1 1 274.737 1.159 20 0 CDADMM CC(C)[C@@H](CCO)Nc1cccc(-c2nnn[n-]2)n1 ZINC000820021345 599056178 /nfs/dbraw/zinc/05/61/78/599056178.db2.gz SOCPXWCFHJIFSM-SECBINFHSA-N -1 1 262.317 1.081 20 0 CDADMM CC(C)[C@@H](CCO)Nc1cccc(-c2nn[n-]n2)n1 ZINC000820021345 599056181 /nfs/dbraw/zinc/05/61/81/599056181.db2.gz SOCPXWCFHJIFSM-SECBINFHSA-N -1 1 262.317 1.081 20 0 CDADMM CCC[C@H](CCO)CNc1cccc(-c2nnn[n-]2)n1 ZINC000821020335 599104139 /nfs/dbraw/zinc/10/41/39/599104139.db2.gz AUPKIFQHVZFZPM-SNVBAGLBSA-N -1 1 276.344 1.472 20 0 CDADMM CCC[C@H](CCO)CNc1cccc(-c2nn[n-]n2)n1 ZINC000821020335 599104142 /nfs/dbraw/zinc/10/41/42/599104142.db2.gz AUPKIFQHVZFZPM-SNVBAGLBSA-N -1 1 276.344 1.472 20 0 CDADMM O=C([O-])c1ccc(CN[C@]23C[C@H]2COC3)c(F)c1 ZINC001602350441 1175220878 /nfs/dbraw/zinc/22/08/78/1175220878.db2.gz JARKAELVKNAPGS-GWCFXTLKSA-N -1 1 251.257 1.402 20 0 CDADMM Cc1ncc(CN2CCN(CCC(=O)[O-])CC2)s1 ZINC000062336988 596981345 /nfs/dbraw/zinc/98/13/45/596981345.db2.gz PQMPRCOEVDBCRU-UHFFFAOYSA-N -1 1 269.370 1.044 20 0 CDADMM O=C([O-])[C@@H]1CN(C[C@H]2C[C@H]2c2ccccc2)CCO1 ZINC000821513187 598124679 /nfs/dbraw/zinc/12/46/79/598124679.db2.gz SFAVYXQTLCDSKZ-RDBSUJKOSA-N -1 1 261.321 1.576 20 0 CDADMM CCN(CC(=O)NCc1cccc(C(=O)[O-])c1)C1CC1 ZINC000820332918 598185865 /nfs/dbraw/zinc/18/58/65/598185865.db2.gz MXIQQSHMSDHHFI-UHFFFAOYSA-N -1 1 276.336 1.485 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(Oc2ccc3c(c2)CCC3)n1 ZINC000095165802 598335956 /nfs/dbraw/zinc/33/59/56/598335956.db2.gz QLRFUKBPKLAEIA-UHFFFAOYSA-N -1 1 280.291 1.938 20 0 CDADMM C/C(=C/CN(C)Cc1c(C)nn(C)c1C)C(=O)[O-] ZINC000825729548 601160598 /nfs/dbraw/zinc/16/05/98/601160598.db2.gz GJLMDDRQAJNVHO-TWGQIWQCSA-N -1 1 251.330 1.500 20 0 CDADMM O=C([O-])c1cnc(CN2CCC[C@H](CCO)CC2)s1 ZINC001602518128 1175264419 /nfs/dbraw/zinc/26/44/19/1175264419.db2.gz AJVRNQNLACGZJF-JTQLQIEISA-N -1 1 284.381 1.826 20 0 CDADMM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@@H](C)C1 ZINC000824874648 608421174 /nfs/dbraw/zinc/42/11/74/608421174.db2.gz FHVLIPXFAYTWFR-MYJAWHEDSA-N -1 1 273.344 1.893 20 0 CDADMM CN(C[C@H]1CCCCO1)c1cccc(-c2nnn[n-]2)n1 ZINC000095294120 599415895 /nfs/dbraw/zinc/41/58/95/599415895.db2.gz YWRFHGGAJPVETD-SNVBAGLBSA-N -1 1 274.328 1.267 20 0 CDADMM CN(C[C@H]1CCCCO1)c1cccc(-c2nn[n-]n2)n1 ZINC000095294120 599415897 /nfs/dbraw/zinc/41/58/97/599415897.db2.gz YWRFHGGAJPVETD-SNVBAGLBSA-N -1 1 274.328 1.267 20 0 CDADMM O=C([O-])c1cnc(CNC2([C@H]3CCCO3)CCC2)cn1 ZINC001602521205 1175268659 /nfs/dbraw/zinc/26/86/59/1175268659.db2.gz ORBVLJKWVDRESV-GFCCVEGCSA-N -1 1 277.324 1.366 20 0 CDADMM CS[C@@H]1CCCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000821956579 607386550 /nfs/dbraw/zinc/38/65/50/607386550.db2.gz RVZPORXZFMRDSM-SECBINFHSA-N -1 1 291.384 1.379 20 0 CDADMM CS[C@@H]1CCCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000821956579 607386552 /nfs/dbraw/zinc/38/65/52/607386552.db2.gz RVZPORXZFMRDSM-SECBINFHSA-N -1 1 291.384 1.379 20 0 CDADMM CC(C)[C@](C)(O)CNc1cccc(-c2nnn[n-]2)n1 ZINC000820016375 599684894 /nfs/dbraw/zinc/68/48/94/599684894.db2.gz LHRLKEPCSURTKO-GFCCVEGCSA-N -1 1 262.317 1.081 20 0 CDADMM CC(C)[C@](C)(O)CNc1cccc(-c2nn[n-]n2)n1 ZINC000820016375 599684895 /nfs/dbraw/zinc/68/48/95/599684895.db2.gz LHRLKEPCSURTKO-GFCCVEGCSA-N -1 1 262.317 1.081 20 0 CDADMM CN(CCCS(C)(=O)=O)[C@H](C(=O)[O-])c1ccccc1 ZINC000694164832 600209014 /nfs/dbraw/zinc/20/90/14/600209014.db2.gz FOWPUGQDMCSZSE-LBPRGKRZSA-N -1 1 285.365 1.179 20 0 CDADMM CC[C@H](O)CN1CCN([C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000829004360 601012875 /nfs/dbraw/zinc/01/28/75/601012875.db2.gz GNGURRKUQOTDAF-LSDHHAIUSA-N -1 1 292.379 1.201 20 0 CDADMM Cc1ccc(NC(=O)CN[C@@](C)(C(=O)[O-])C2CC2)cc1 ZINC000832944029 601035998 /nfs/dbraw/zinc/03/59/98/601035998.db2.gz UHNOVGIYMBPRNP-OAHLLOKOSA-N -1 1 276.336 1.776 20 0 CDADMM C[C@@](NCC(=O)N(C1CC1)C1CCCC1)(C(=O)[O-])C1CC1 ZINC000827727966 601038258 /nfs/dbraw/zinc/03/82/58/601038258.db2.gz NPFJOONGBAAONT-INIZCTEOSA-N -1 1 294.395 1.763 20 0 CDADMM C[C@@H]1CCCC[C@@H]1NC(=O)CN[C@](C)(C(=O)[O-])C1CC1 ZINC000828251531 601038902 /nfs/dbraw/zinc/03/89/02/601038902.db2.gz KMBWWZFHQSMYAW-GMXABZIVSA-N -1 1 282.384 1.524 20 0 CDADMM O=C([O-])CCc1ccc(NC(=O)CCc2nc[nH]n2)cc1 ZINC000833238171 601137655 /nfs/dbraw/zinc/13/76/55/601137655.db2.gz HHELDINTTWANBI-UHFFFAOYSA-N -1 1 288.307 1.393 20 0 CDADMM C/C(=C/CN1CCN(c2ccccn2)CC1)C(=O)[O-] ZINC000214636269 601153284 /nfs/dbraw/zinc/15/32/84/601153284.db2.gz DWICWOUSTIROCV-XGICHPGQSA-N -1 1 261.325 1.235 20 0 CDADMM C[C@@H](CN(C)Cc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000388607283 601304545 /nfs/dbraw/zinc/30/45/45/601304545.db2.gz PVBSYKIOXDSBBA-QMMMGPOBSA-N -1 1 270.260 1.886 20 0 CDADMM COC[C@](C)(CC(=O)[O-])NCc1ccn(C(C)C)n1 ZINC000831586022 601491402 /nfs/dbraw/zinc/49/14/02/601491402.db2.gz RRPOGHSMAVCBGP-ZDUSSCGKSA-N -1 1 269.345 1.433 20 0 CDADMM Cc1cc(NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C)no1 ZINC000832892400 601603084 /nfs/dbraw/zinc/60/30/84/601603084.db2.gz DTCFNFPTELJRAO-JTQLQIEISA-N -1 1 269.301 1.010 20 0 CDADMM C[C@H](C(=O)[O-])[C@@H](NC(=O)[C@H](C)N(C)C)c1ccccc1 ZINC000826038786 601608718 /nfs/dbraw/zinc/60/87/18/601608718.db2.gz HJZFGLDUCQBJJZ-GMXVVIOVSA-N -1 1 278.352 1.515 20 0 CDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)C=C2CCC2)CC1 ZINC000827356415 601687427 /nfs/dbraw/zinc/68/74/27/601687427.db2.gz RNTVWKHIURUCAT-NSHDSACASA-N -1 1 266.341 1.104 20 0 CDADMM CN1CCC[C@H]1C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000830935107 601699835 /nfs/dbraw/zinc/69/98/35/601699835.db2.gz PGZJLMXXCCHLFC-NWDGAFQWSA-N -1 1 296.754 1.676 20 0 CDADMM CCC(=O)N1CCCN(Cc2ccsc2C(=O)[O-])CC1 ZINC000828560803 601808846 /nfs/dbraw/zinc/80/88/46/601808846.db2.gz AKXQINUGGKXXGY-UHFFFAOYSA-N -1 1 296.392 1.891 20 0 CDADMM Cc1nnc(SCC(=O)N(CC(=O)[O-])C2CCCC2)[nH]1 ZINC000832990474 601870589 /nfs/dbraw/zinc/87/05/89/601870589.db2.gz CDAMTLHVRRMZSI-UHFFFAOYSA-N -1 1 298.368 1.061 20 0 CDADMM Cc1n[nH]c(SCC(=O)N(CC(=O)[O-])C2CCCC2)n1 ZINC000832990474 601870592 /nfs/dbraw/zinc/87/05/92/601870592.db2.gz CDAMTLHVRRMZSI-UHFFFAOYSA-N -1 1 298.368 1.061 20 0 CDADMM CCc1noc([C@H](C)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC000830339406 601921979 /nfs/dbraw/zinc/92/19/79/601921979.db2.gz XFCGCMNLYNITQK-UFBFGSQYSA-N -1 1 253.302 1.490 20 0 CDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)C(F)=C2CCCC2)CC1 ZINC000827354088 601943285 /nfs/dbraw/zinc/94/32/85/601943285.db2.gz BQFCNEFPXXFAAN-LLVKDONJSA-N -1 1 298.358 1.791 20 0 CDADMM C[C@@]1(C(=O)[O-])CCN(Cc2nnc(-c3ccco3)o2)C1 ZINC000062936533 601943314 /nfs/dbraw/zinc/94/33/14/601943314.db2.gz JGUCZZOURMKCEO-CYBMUJFWSA-N -1 1 277.280 1.626 20 0 CDADMM O=C([O-])CCN1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000819463374 602021331 /nfs/dbraw/zinc/02/13/31/602021331.db2.gz YGERQTJFHFQWPY-KGLIPLIRSA-N -1 1 279.336 1.286 20 0 CDADMM CCC[C@@](C)(NC(=O)[C@H]1CCCc2[nH]ncc21)C(=O)[O-] ZINC000829184605 602023078 /nfs/dbraw/zinc/02/30/78/602023078.db2.gz NMBYBMRFLRORKM-LKFCYVNXSA-N -1 1 279.340 1.589 20 0 CDADMM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cnn[nH]1)c1ccccc1 ZINC000826103119 604390740 /nfs/dbraw/zinc/39/07/40/604390740.db2.gz NIXLPKGUWOXMEM-NSHDSACASA-N -1 1 288.307 1.387 20 0 CDADMM C[C@@H](Oc1ccc(CN2CCN(C)CC2)cc1)C(=O)[O-] ZINC000019722668 604512218 /nfs/dbraw/zinc/51/22/18/604512218.db2.gz ZJLFYFKWVSDSPZ-GFCCVEGCSA-N -1 1 278.352 1.286 20 0 CDADMM CC(C)(F)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833459843 604545548 /nfs/dbraw/zinc/54/55/48/604545548.db2.gz JMKBCYUIBSDHIW-UHFFFAOYSA-N -1 1 265.244 1.948 20 0 CDADMM CC1=C(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)CCCO1 ZINC000833577527 604563531 /nfs/dbraw/zinc/56/35/31/604563531.db2.gz JPPALMHCJJZRLO-LLVKDONJSA-N -1 1 296.367 1.078 20 0 CDADMM Cc1cc([C@H](C)OC(=O)CCc2nc[nH]n2)oc1C(=O)[O-] ZINC000832872132 604598134 /nfs/dbraw/zinc/59/81/34/604598134.db2.gz MKPKPQWSPRGAGC-QMMMGPOBSA-N -1 1 293.279 1.641 20 0 CDADMM CN(CC(=O)[O-])Cc1ccn(-c2c(F)cccc2F)n1 ZINC000820569533 604644672 /nfs/dbraw/zinc/64/46/72/604644672.db2.gz WQQIYOFLAIOAPK-UHFFFAOYSA-N -1 1 281.262 1.667 20 0 CDADMM Cc1nc(COC(=O)c2ccc(C(=O)[O-])cc2)n[nH]1 ZINC000821171332 604668634 /nfs/dbraw/zinc/66/86/34/604668634.db2.gz PPBKOADBPGMHHZ-UHFFFAOYSA-N -1 1 261.237 1.168 20 0 CDADMM CCc1ccc(CN(CC(=O)[O-])C2CCOCC2)o1 ZINC000833669347 604672236 /nfs/dbraw/zinc/67/22/36/604672236.db2.gz FMXOGDHMULPKMQ-UHFFFAOYSA-N -1 1 267.325 1.908 20 0 CDADMM O=C([O-])c1ccoc1CN1CCS[C@H]2COCC[C@H]21 ZINC000833335755 604681468 /nfs/dbraw/zinc/68/14/68/604681468.db2.gz BSPZPSCERHECKF-PWSUYJOCSA-N -1 1 283.349 1.684 20 0 CDADMM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cccc2n[nH]cc21 ZINC000829973042 604717987 /nfs/dbraw/zinc/71/79/87/604717987.db2.gz QDSBHIXJKAJTQL-LBPRGKRZSA-N -1 1 291.307 1.125 20 0 CDADMM COC[C@@](C)(CCO)NCc1ccc(C(=O)[O-])cc1F ZINC000833722052 604762457 /nfs/dbraw/zinc/76/24/57/604762457.db2.gz YIHZVZMPMWOUHO-CQSZACIVSA-N -1 1 285.315 1.401 20 0 CDADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC1CC1 ZINC000826295255 607717250 /nfs/dbraw/zinc/71/72/50/607717250.db2.gz YXFJLUJSJNZZHF-UHFFFAOYSA-N -1 1 282.307 1.295 20 0 CDADMM C[C@@H]1[C@H](C)N(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CCN1C ZINC000833582976 604837650 /nfs/dbraw/zinc/83/76/50/604837650.db2.gz AYPFBTNHVQKWBB-MROQNXINSA-N -1 1 282.384 1.428 20 0 CDADMM NC(=O)c1cccc(CN[C@H](C(=O)[O-])c2cccnc2)c1 ZINC000833087080 604991804 /nfs/dbraw/zinc/99/18/04/604991804.db2.gz YXFOFWOODRTMCQ-ZDUSSCGKSA-N -1 1 285.303 1.096 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CC12CCC2 ZINC000833619468 605101539 /nfs/dbraw/zinc/10/15/39/605101539.db2.gz HUNDDFOHEXFJOQ-VXGBXAGGSA-N -1 1 280.368 1.184 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C=C1CCCC1 ZINC000833625590 605112874 /nfs/dbraw/zinc/11/28/74/605112874.db2.gz WRLBVZQVUYBYGR-LBPRGKRZSA-N -1 1 280.368 1.494 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CC12CCCC2 ZINC000833626235 605112944 /nfs/dbraw/zinc/11/29/44/605112944.db2.gz YYUVXQADBJQARQ-QWHCGFSZSA-N -1 1 294.395 1.574 20 0 CDADMM CCN(CC1CC1)Cn1nc(C(=O)OC)cc1C(=O)[O-] ZINC000833654100 605120553 /nfs/dbraw/zinc/12/05/53/605120553.db2.gz AXBDGZNQOIWCJC-UHFFFAOYSA-N -1 1 281.312 1.057 20 0 CDADMM CCC[C@](C)(NC(=O)[C@@H]1CCc2[nH]c(C)nc2C1)C(=O)[O-] ZINC000833648031 605779480 /nfs/dbraw/zinc/77/94/80/605779480.db2.gz NXDRPFOOKPEJFM-BMIGLBTASA-N -1 1 293.367 1.583 20 0 CDADMM C[C@@]1(CNc2cccc(-c3nnn[n-]3)n2)CCCC[C@@H]1O ZINC000820623163 606242969 /nfs/dbraw/zinc/24/29/69/606242969.db2.gz GXJSQQOOVMJVOY-FZMZJTMJSA-N -1 1 288.355 1.615 20 0 CDADMM C[C@@]1(CNc2cccc(-c3nn[n-]n3)n2)CCCC[C@@H]1O ZINC000820623163 606242970 /nfs/dbraw/zinc/24/29/70/606242970.db2.gz GXJSQQOOVMJVOY-FZMZJTMJSA-N -1 1 288.355 1.615 20 0 CDADMM O=Cc1c[nH]nc1C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823551658 606391896 /nfs/dbraw/zinc/39/18/96/606391896.db2.gz YTKAFEXAXLEMHF-HNQUOIGGSA-N -1 1 272.293 1.634 20 0 CDADMM FC(F)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000822731974 606419952 /nfs/dbraw/zinc/41/99/52/606419952.db2.gz HCAJVCYOQAQPEK-UHFFFAOYSA-N -1 1 266.664 1.654 20 0 CDADMM FC(F)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000822731974 606419953 /nfs/dbraw/zinc/41/99/53/606419953.db2.gz HCAJVCYOQAQPEK-UHFFFAOYSA-N -1 1 266.664 1.654 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C[C@H](C)O1 ZINC000820743315 606516626 /nfs/dbraw/zinc/51/66/26/606516626.db2.gz SYGUEOCGWYCRJR-YUMQZZPRSA-N -1 1 293.352 1.178 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C[C@H](C)O1 ZINC000820743315 606516627 /nfs/dbraw/zinc/51/66/27/606516627.db2.gz SYGUEOCGWYCRJR-YUMQZZPRSA-N -1 1 293.352 1.178 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1C[C@@H]2CCC[C@@H]21 ZINC000823483753 606568535 /nfs/dbraw/zinc/56/85/35/606568535.db2.gz LYMQSBBRRVQLAB-YUMQZZPRSA-N -1 1 275.337 1.553 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1C[C@@H]2CCC[C@@H]21 ZINC000823483753 606568536 /nfs/dbraw/zinc/56/85/36/606568536.db2.gz LYMQSBBRRVQLAB-YUMQZZPRSA-N -1 1 275.337 1.553 20 0 CDADMM CCO[C@H](CC)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821350936 606648815 /nfs/dbraw/zinc/64/88/15/606648815.db2.gz GXVKOPQOSYEDHT-LLVKDONJSA-N -1 1 291.311 1.120 20 0 CDADMM CCO[C@H](CC)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821350936 606648816 /nfs/dbraw/zinc/64/88/16/606648816.db2.gz GXVKOPQOSYEDHT-LLVKDONJSA-N -1 1 291.311 1.120 20 0 CDADMM C[C@@H](CCCO)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820240000 606733048 /nfs/dbraw/zinc/73/30/48/606733048.db2.gz BHDQRFYWWVJUIL-VIFPVBQESA-N -1 1 299.338 1.383 20 0 CDADMM C[C@@H](CCCO)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820240000 606733050 /nfs/dbraw/zinc/73/30/50/606733050.db2.gz BHDQRFYWWVJUIL-VIFPVBQESA-N -1 1 299.338 1.383 20 0 CDADMM O=C(NC[C@H]1CCCS1)c1ccc(-c2nnn[n-]2)s1 ZINC000823175662 606809969 /nfs/dbraw/zinc/80/99/69/606809969.db2.gz LTVAPFXGHGUUOL-SSDOTTSWSA-N -1 1 295.393 1.554 20 0 CDADMM O=C(NC[C@H]1CCCS1)c1ccc(-c2nn[n-]n2)s1 ZINC000823175662 606809970 /nfs/dbraw/zinc/80/99/70/606809970.db2.gz LTVAPFXGHGUUOL-SSDOTTSWSA-N -1 1 295.393 1.554 20 0 CDADMM FC1(F)CC[C@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000822736973 606881358 /nfs/dbraw/zinc/88/13/58/606881358.db2.gz MZZNXEBYFPDMBO-ZETCQYMHSA-N -1 1 266.255 1.861 20 0 CDADMM FC1(F)CC[C@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000822736973 606881359 /nfs/dbraw/zinc/88/13/59/606881359.db2.gz MZZNXEBYFPDMBO-ZETCQYMHSA-N -1 1 266.255 1.861 20 0 CDADMM c1cc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)nc(-c2nnn[n-]2)c1 ZINC000826516845 607822232 /nfs/dbraw/zinc/82/22/32/607822232.db2.gz DSDWSLQWFMHZME-ZWKOPEQDSA-N -1 1 298.350 1.631 20 0 CDADMM c1cc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)nc(-c2nn[n-]n2)c1 ZINC000826516845 607822233 /nfs/dbraw/zinc/82/22/33/607822233.db2.gz DSDWSLQWFMHZME-ZWKOPEQDSA-N -1 1 298.350 1.631 20 0 CDADMM FC1CC2(C1)CN(c1cccc(-c3nnn[n-]3)n1)C2 ZINC000826370030 607903272 /nfs/dbraw/zinc/90/32/72/607903272.db2.gz AJDVOTWQCRNHCN-UHFFFAOYSA-N -1 1 260.276 1.200 20 0 CDADMM FC1CC2(C1)CN(c1cccc(-c3nn[n-]n3)n1)C2 ZINC000826370030 607903273 /nfs/dbraw/zinc/90/32/73/607903273.db2.gz AJDVOTWQCRNHCN-UHFFFAOYSA-N -1 1 260.276 1.200 20 0 CDADMM c1cncc([C@@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)c1 ZINC000826525770 607969420 /nfs/dbraw/zinc/96/94/20/607969420.db2.gz YIZCLQFAVQFMFR-NSHDSACASA-N -1 1 294.322 1.615 20 0 CDADMM c1cncc([C@@H](Nc2nccnc2-c2nn[n-]n2)C2CC2)c1 ZINC000826525770 607969421 /nfs/dbraw/zinc/96/94/21/607969421.db2.gz YIZCLQFAVQFMFR-NSHDSACASA-N -1 1 294.322 1.615 20 0 CDADMM Cc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826288817 607987715 /nfs/dbraw/zinc/98/77/15/607987715.db2.gz XWODHUOMHRVRTK-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826288817 607987716 /nfs/dbraw/zinc/98/77/16/607987716.db2.gz XWODHUOMHRVRTK-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM c1cc(N2CCC[C@@H]2C2CCCC2)nnc1-c1nnn[n-]1 ZINC000826516911 607990231 /nfs/dbraw/zinc/99/02/31/607990231.db2.gz HYNIAULNLHTGMG-GFCCVEGCSA-N -1 1 285.355 1.816 20 0 CDADMM c1cc(N2CCC[C@@H]2C2CCCC2)nnc1-c1nn[n-]n1 ZINC000826516911 607990232 /nfs/dbraw/zinc/99/02/32/607990232.db2.gz HYNIAULNLHTGMG-GFCCVEGCSA-N -1 1 285.355 1.816 20 0 CDADMM CSCC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000826228771 607991082 /nfs/dbraw/zinc/99/10/82/607991082.db2.gz ZPXIAAVHDDUURX-MRVPVSSYSA-N -1 1 279.373 1.235 20 0 CDADMM CSCC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000826228771 607991083 /nfs/dbraw/zinc/99/10/83/607991083.db2.gz ZPXIAAVHDDUURX-MRVPVSSYSA-N -1 1 279.373 1.235 20 0 CDADMM Cc1cc(C)cc(NC(=O)Cn2ccnc2-c2nnn[n-]2)c1 ZINC000826264495 608013467 /nfs/dbraw/zinc/01/34/67/608013467.db2.gz QIZNLXNPNOWGLG-UHFFFAOYSA-N -1 1 297.322 1.319 20 0 CDADMM Cc1cc(C)cc(NC(=O)Cn2ccnc2-c2nn[n-]n2)c1 ZINC000826264495 608013468 /nfs/dbraw/zinc/01/34/68/608013468.db2.gz QIZNLXNPNOWGLG-UHFFFAOYSA-N -1 1 297.322 1.319 20 0 CDADMM CCOC(=O)CC[C@@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000825506059 608018703 /nfs/dbraw/zinc/01/87/03/608018703.db2.gz CQYILODDLWHIRO-SECBINFHSA-N -1 1 290.327 1.405 20 0 CDADMM CCOC(=O)CC[C@@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000825506059 608018704 /nfs/dbraw/zinc/01/87/04/608018704.db2.gz CQYILODDLWHIRO-SECBINFHSA-N -1 1 290.327 1.405 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C=Cc1ccsc1 ZINC000826394920 608078212 /nfs/dbraw/zinc/07/82/12/608078212.db2.gz FDXWZMNDUZBDNZ-OWOJBTEDSA-N -1 1 287.308 1.061 20 0 CDADMM Cc1nc2ccccc2nc1Cn1ccnc1-c1nnn[n-]1 ZINC000826328784 608149040 /nfs/dbraw/zinc/14/90/40/608149040.db2.gz CRNNBLQMHBMWRK-UHFFFAOYSA-N -1 1 292.306 1.363 20 0 CDADMM Cc1nc2ccccc2nc1Cn1ccnc1-c1nn[n-]n1 ZINC000826328784 608149041 /nfs/dbraw/zinc/14/90/41/608149041.db2.gz CRNNBLQMHBMWRK-UHFFFAOYSA-N -1 1 292.306 1.363 20 0 CDADMM Cc1ccc([C@H](O)CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826284055 608398594 /nfs/dbraw/zinc/39/85/94/608398594.db2.gz ISXMPIRGEVOUNK-GFCCVEGCSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1ccc([C@H](O)CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826284055 608398595 /nfs/dbraw/zinc/39/85/95/608398595.db2.gz ISXMPIRGEVOUNK-GFCCVEGCSA-N -1 1 297.322 1.111 20 0 CDADMM CC(C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000824217083 608419149 /nfs/dbraw/zinc/41/91/49/608419149.db2.gz YAKYHQYEWVPLMX-NSHDSACASA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000824217083 608419151 /nfs/dbraw/zinc/41/91/51/608419151.db2.gz YAKYHQYEWVPLMX-NSHDSACASA-N -1 1 287.371 1.919 20 0 CDADMM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@@H](C)C1 ZINC000824874648 608421173 /nfs/dbraw/zinc/42/11/73/608421173.db2.gz FHVLIPXFAYTWFR-MYJAWHEDSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CCC[C@H](C)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC000824929422 608422947 /nfs/dbraw/zinc/42/29/47/608422947.db2.gz XJZMGSLIABUKCO-VHSXEESVSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1CCC[C@H](C)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC000824929422 608422948 /nfs/dbraw/zinc/42/29/48/608422948.db2.gz XJZMGSLIABUKCO-VHSXEESVSA-N -1 1 273.344 1.672 20 0 CDADMM COC[C@@H](C)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821682295 608797598 /nfs/dbraw/zinc/79/75/98/608797598.db2.gz AVIDDZZSRKEUTR-SECBINFHSA-N -1 1 284.323 1.862 20 0 CDADMM COC[C@@H](C)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821682295 608797600 /nfs/dbraw/zinc/79/76/00/608797600.db2.gz AVIDDZZSRKEUTR-SECBINFHSA-N -1 1 284.323 1.862 20 0 CDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)c1cncc(F)c1 ZINC000824669733 609386313 /nfs/dbraw/zinc/38/63/13/609386313.db2.gz HGRJUXHSXHCINJ-ZETCQYMHSA-N -1 1 286.274 1.364 20 0 CDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)c1cncc(F)c1 ZINC000824669733 609386315 /nfs/dbraw/zinc/38/63/15/609386315.db2.gz HGRJUXHSXHCINJ-ZETCQYMHSA-N -1 1 286.274 1.364 20 0 CDADMM CC[C@@H](C)[C@H](C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825059674 609642060 /nfs/dbraw/zinc/64/20/60/609642060.db2.gz IPDYIEODIZELJQ-ZJUUUORDSA-N -1 1 289.339 1.987 20 0 CDADMM CC[C@@H](C)[C@H](C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825059674 609642061 /nfs/dbraw/zinc/64/20/61/609642061.db2.gz IPDYIEODIZELJQ-ZJUUUORDSA-N -1 1 289.339 1.987 20 0 CDADMM O=C(NCC[C@@H](O)C1CC1)c1c(F)ccc([O-])c1F ZINC000890719444 617304187 /nfs/dbraw/zinc/30/41/87/617304187.db2.gz GBHIWAWCQAOCBV-SECBINFHSA-N -1 1 271.263 1.561 20 0 CDADMM O=C(N=S1(=O)CCOCC1)c1c(F)ccc([O-])c1F ZINC000891367118 617367930 /nfs/dbraw/zinc/36/79/30/617367930.db2.gz BOKLRLMEOYWGTB-UHFFFAOYSA-N -1 1 291.275 1.309 20 0 CDADMM COCc1nc(N2CCC[C@@H](OC)CC2)cc(=O)[n-]1 ZINC000893127333 617397610 /nfs/dbraw/zinc/39/76/10/617397610.db2.gz NJIYHBQAADIJNU-SNVBAGLBSA-N -1 1 267.329 1.334 20 0 CDADMM O=S(=O)([N-][C@H]1CCSC1)c1ccc(F)nc1F ZINC000866885415 617406414 /nfs/dbraw/zinc/40/64/14/617406414.db2.gz HQSJKJRKRWHIBA-LURJTMIESA-N -1 1 280.321 1.144 20 0 CDADMM COCc1nc(N2CCC(n3cccn3)CC2)cc(=O)[n-]1 ZINC000892083606 617471283 /nfs/dbraw/zinc/47/12/83/617471283.db2.gz QPYPXNWUCMIQRW-UHFFFAOYSA-N -1 1 289.339 1.367 20 0 CDADMM CCC(=O)N(C)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000953674918 614452562 /nfs/dbraw/zinc/45/25/62/614452562.db2.gz LBOGTAFYTXDEHD-UHFFFAOYSA-N -1 1 291.351 1.260 20 0 CDADMM CCNC(=O)C[N-]c1nnc(Cc2ccccc2)o1 ZINC000891558308 617477406 /nfs/dbraw/zinc/47/74/06/617477406.db2.gz FNEXSECMNUQJTM-UHFFFAOYSA-N -1 1 260.297 1.208 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ncccc1F ZINC000891615395 617503078 /nfs/dbraw/zinc/50/30/78/617503078.db2.gz RQAISTOUYGOHLZ-UHFFFAOYSA-N -1 1 288.282 1.847 20 0 CDADMM CC[C@@H](F)CN1CC(N(CC)C(=O)c2ncccc2[O-])C1 ZINC000949952115 615512780 /nfs/dbraw/zinc/51/27/80/615512780.db2.gz HFTYAIIJOBORAZ-LLVKDONJSA-N -1 1 295.358 1.682 20 0 CDADMM CCC(=O)N1CCC[N@H+](Cc2ccc(O)c(F)c2)CC1 ZINC000891743867 617564188 /nfs/dbraw/zinc/56/41/88/617564188.db2.gz JFLOSUJFKWJWCE-UHFFFAOYSA-N -1 1 280.343 1.976 20 0 CDADMM COCc1nc(N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc(=O)[n-]1 ZINC000892675412 617582272 /nfs/dbraw/zinc/58/22/72/617582272.db2.gz BCUSARVFROMNMB-FZZIBODNSA-N -1 1 293.367 1.944 20 0 CDADMM COCc1nc(NC[C@H]2CSCCS2)cc(=O)[n-]1 ZINC000892861634 617837059 /nfs/dbraw/zinc/83/70/59/617837059.db2.gz VNAUGTQPJZYLOV-QMMMGPOBSA-N -1 1 287.410 1.589 20 0 CDADMM C[C@H]1C[C@H](C(=O)OCCC[N-]C(=O)C(F)(F)F)CO1 ZINC000784272615 617847787 /nfs/dbraw/zinc/84/77/87/617847787.db2.gz QWGFXGJLFYQHTP-YUMQZZPRSA-N -1 1 283.246 1.023 20 0 CDADMM COCc1nc(NCc2ncccc2C)cc(=O)[n-]1 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C[C@]1(C(=O)[O-])CCCN1C(=O)c1cccc2[nH]cnc21 ZINC000902106751 618563947 /nfs/dbraw/zinc/56/39/47/618563947.db2.gz FLIHFIGXBOIUFM-CQSZACIVSA-N -1 1 273.292 1.642 20 0 CDADMM CN(C)C1(C(=O)Nc2cc(C(=O)[O-])cs2)CCC1 ZINC000830585243 618632488 /nfs/dbraw/zinc/63/24/88/618632488.db2.gz UNWBZLBGYLDASP-UHFFFAOYSA-N -1 1 268.338 1.869 20 0 CDADMM COCc1nc(N2C[C@H](C)[C@@H](C)[C@H]2C)cc(=O)[n-]1 ZINC000894234362 618741973 /nfs/dbraw/zinc/74/19/73/618741973.db2.gz IFTZKPMAIUUEGG-IVZWLZJFSA-N -1 1 251.330 1.809 20 0 CDADMM CCC[C@@H](C)[C@@H](CO)Nc1cc(=O)[n-]c(COC)n1 ZINC000894381049 618837258 /nfs/dbraw/zinc/83/72/58/618837258.db2.gz BVIVQMSIUMJWDO-NXEZZACHSA-N -1 1 269.345 1.538 20 0 CDADMM Cc1nc(NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(=O)[nH]1 ZINC000894428556 618882095 /nfs/dbraw/zinc/88/20/95/618882095.db2.gz XZOANHPSXPRKSU-MXWKQRLJSA-N -1 1 280.372 1.400 20 0 CDADMM COCc1nc(NC[C@H](C)C(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC000894430978 618882656 /nfs/dbraw/zinc/88/26/56/618882656.db2.gz 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CON1CCC(Nc2ccc(C)nc2-c2nnn[n-]2)CC1 ZINC001605143521 1163465554 /nfs/dbraw/zinc/46/55/54/1163465554.db2.gz XRZKQEPOPHSAAD-UHFFFAOYSA-N -1 1 289.343 1.008 20 0 CDADMM CON1CCC(Nc2ccc(C)nc2-c2nn[n-]n2)CC1 ZINC001605143521 1163465558 /nfs/dbraw/zinc/46/55/58/1163465558.db2.gz XRZKQEPOPHSAAD-UHFFFAOYSA-N -1 1 289.343 1.008 20 0 CDADMM COc1nc(C)cc(Oc2cccnc2-c2nnn[n-]2)n1 ZINC001605344353 1163530217 /nfs/dbraw/zinc/53/02/17/1163530217.db2.gz QSEGOHUIXLBQAK-UHFFFAOYSA-N -1 1 285.267 1.161 20 0 CDADMM COc1nc(C)cc(Oc2cccnc2-c2nn[n-]n2)n1 ZINC001605344353 1163530218 /nfs/dbraw/zinc/53/02/18/1163530218.db2.gz QSEGOHUIXLBQAK-UHFFFAOYSA-N -1 1 285.267 1.161 20 0 CDADMM CC[N@@H+](Cc1ccc(C(=O)[O-])cn1)[C@H](C)C(=O)[O-] ZINC001605455666 1163571848 /nfs/dbraw/zinc/57/18/48/1163571848.db2.gz BRADKLHWAFEMES-MRVPVSSYSA-N -1 1 252.270 1.075 20 0 CDADMM CCN1CC[C@H]1CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001605475537 1163577737 /nfs/dbraw/zinc/57/77/37/1163577737.db2.gz SBOQTXFWQIHSFZ-SDDRHHMPSA-N -1 1 268.357 1.088 20 0 CDADMM CCOC(=O)C1(CN[C@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC001605520898 1163595532 /nfs/dbraw/zinc/59/55/32/1163595532.db2.gz VCBJTFFPDUNIHV-MRVPVSSYSA-N -1 1 298.364 1.835 20 0 CDADMM Cc1cc(F)c(-c2nn[n-]n2)c(SC2COC2)c1 ZINC001605673314 1163641022 /nfs/dbraw/zinc/64/10/22/1163641022.db2.gz GXTCJELHFMYCRW-UHFFFAOYSA-N -1 1 266.301 1.805 20 0 CDADMM CCOc1ccc(Cl)cc1CN1CC[C@@](O)(C(=O)[O-])C1 ZINC001605690949 1163643611 /nfs/dbraw/zinc/64/36/11/1163643611.db2.gz WCMLYLXXHZHFQJ-AWEZNQCLSA-N -1 1 299.754 1.760 20 0 CDADMM Cc1ccc(N2CC[C@H]3COC[C@H]3C2)nc1-c1nnn[n-]1 ZINC001605865285 1163695516 /nfs/dbraw/zinc/69/55/16/1163695516.db2.gz UYJDFOSILJQQHA-WDEREUQCSA-N -1 1 286.339 1.043 20 0 CDADMM Cc1ccc(N2CC[C@H]3COC[C@H]3C2)nc1-c1nn[n-]n1 ZINC001605865285 1163695519 /nfs/dbraw/zinc/69/55/19/1163695519.db2.gz UYJDFOSILJQQHA-WDEREUQCSA-N -1 1 286.339 1.043 20 0 CDADMM Cc1ccc(N[C@H](C)C[C@H](C)O)c(-c2nnn[n-]2)n1 ZINC001605872563 1163700042 /nfs/dbraw/zinc/70/00/42/1163700042.db2.gz XZRGTVAWQKGSOD-BDAKNGLRSA-N -1 1 262.317 1.141 20 0 CDADMM Cc1ccc(N[C@H](C)C[C@H](C)O)c(-c2nn[n-]n2)n1 ZINC001605872563 1163700049 /nfs/dbraw/zinc/70/00/49/1163700049.db2.gz XZRGTVAWQKGSOD-BDAKNGLRSA-N -1 1 262.317 1.141 20 0 CDADMM Cc1ccccc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001605943020 1163721149 /nfs/dbraw/zinc/72/11/49/1163721149.db2.gz SZAGPZIMKDABTL-UHFFFAOYSA-N -1 1 280.291 1.822 20 0 CDADMM Cc1ccccc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001605943020 1163721156 /nfs/dbraw/zinc/72/11/56/1163721156.db2.gz SZAGPZIMKDABTL-UHFFFAOYSA-N -1 1 280.291 1.822 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@H]2C(C)C)n1 ZINC001606021689 1163747646 /nfs/dbraw/zinc/74/76/46/1163747646.db2.gz YHMBZXMHYMITNT-NSHDSACASA-N -1 1 273.344 1.590 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@H]2C(C)C)n1 ZINC001606021689 1163747650 /nfs/dbraw/zinc/74/76/50/1163747650.db2.gz YHMBZXMHYMITNT-NSHDSACASA-N -1 1 273.344 1.590 20 0 CDADMM Cc1nc(NCCc2cccnc2)cc(-c2nnn[n-]2)n1 ZINC001606074156 1163762557 /nfs/dbraw/zinc/76/25/57/1163762557.db2.gz ACNZKNNROSTCRE-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1nc(NCCc2cccnc2)cc(-c2nn[n-]n2)n1 ZINC001606074156 1163762565 /nfs/dbraw/zinc/76/25/65/1163762565.db2.gz ACNZKNNROSTCRE-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM C[N@H+](CC(=O)[O-])[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001606087677 1163768399 /nfs/dbraw/zinc/76/83/99/1163768399.db2.gz FBNOAFTVCZTSKJ-SNVBAGLBSA-N -1 1 257.673 1.482 20 0 CDADMM C[N@@H+](CC(=O)[O-])[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001606087677 1163768404 /nfs/dbraw/zinc/76/84/04/1163768404.db2.gz FBNOAFTVCZTSKJ-SNVBAGLBSA-N -1 1 257.673 1.482 20 0 CDADMM Cc1nn(C)c(NC(=O)C=Cc2ccco2)c1-c1nnn[n-]1 ZINC001606110051 1163775137 /nfs/dbraw/zinc/77/51/37/1163775137.db2.gz IXGHEFGJOSWCPS-AATRIKPKSA-N -1 1 299.294 1.154 20 0 CDADMM Cc1nn(C)c(NC(=O)C=Cc2ccco2)c1-c1nn[n-]n1 ZINC001606110051 1163775144 /nfs/dbraw/zinc/77/51/44/1163775144.db2.gz IXGHEFGJOSWCPS-AATRIKPKSA-N -1 1 299.294 1.154 20 0 CDADMM Cc1noc(C)c1COc1ccc(F)nc1-c1nn[n-]n1 ZINC001606131900 1163783360 /nfs/dbraw/zinc/78/33/60/1163783360.db2.gz SBZOWJDQTOQVRS-UHFFFAOYSA-N -1 1 290.258 1.585 20 0 CDADMM CO[C@]1(C(=O)[O-])CCN(Cc2cn3cccc(C)c3n2)C1 ZINC001606707449 1163966888 /nfs/dbraw/zinc/96/68/88/1163966888.db2.gz ZRVYWPIAEFXRNS-OAHLLOKOSA-N -1 1 289.335 1.318 20 0 CDADMM O=C(NCC[C@@H]1CC1(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC001606762609 1163984665 /nfs/dbraw/zinc/98/46/65/1163984665.db2.gz XMPKGJKXXQVLTG-MRVPVSSYSA-N -1 1 294.265 1.037 20 0 CDADMM O=C(NCC[C@@H]1CC1(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC001606762609 1163984671 /nfs/dbraw/zinc/98/46/71/1163984671.db2.gz XMPKGJKXXQVLTG-MRVPVSSYSA-N -1 1 294.265 1.037 20 0 CDADMM O=C(NCCC[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)o1 ZINC001606766284 1163986993 /nfs/dbraw/zinc/98/69/93/1163986993.db2.gz SFQZWCZMDWNARV-SECBINFHSA-N -1 1 291.311 1.006 20 0 CDADMM O=C(NCCC[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)o1 ZINC001606766284 1163986998 /nfs/dbraw/zinc/98/69/98/1163986998.db2.gz SFQZWCZMDWNARV-SECBINFHSA-N -1 1 291.311 1.006 20 0 CDADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@@H]1CC12CCC2 ZINC001606892754 1164025257 /nfs/dbraw/zinc/02/52/57/1164025257.db2.gz XUNIVAMUUFPORU-QMMMGPOBSA-N -1 1 299.338 1.596 20 0 CDADMM O=C(Nc1ccccc1F)c1ccc(-c2nn[n-]n2)o1 ZINC001606940177 1164034897 /nfs/dbraw/zinc/03/48/97/1164034897.db2.gz ICAGXRSGCRMUJL-UHFFFAOYSA-N -1 1 273.227 1.851 20 0 CDADMM O=C(OCc1ccccn1)c1ccc(-c2nn[n-]n2)o1 ZINC001606982314 1164047507 /nfs/dbraw/zinc/04/75/07/1164047507.db2.gz LQZWUCANJVZZKL-UHFFFAOYSA-N -1 1 271.236 1.212 20 0 CDADMM CO[C@@H]1COC[C@@H]1N[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001607000119 1164056757 /nfs/dbraw/zinc/05/67/57/1164056757.db2.gz TWJYFSNXUDQRFD-ATZCPNFKSA-N -1 1 269.297 1.351 20 0 CDADMM O=S(=O)(NCCC1CC1)c1ccsc1-c1nn[n-]n1 ZINC001607064489 1164069646 /nfs/dbraw/zinc/06/96/46/1164069646.db2.gz YSSLJGBGIGGFMJ-UHFFFAOYSA-N -1 1 299.381 1.007 20 0 CDADMM O[C@H]1CCC[C@H](CSc2cccnc2-c2nnn[n-]2)C1 ZINC001607099522 1164080195 /nfs/dbraw/zinc/08/01/95/1164080195.db2.gz BYVWOLYVHFTYAE-UWVGGRQHSA-N -1 1 291.380 1.905 20 0 CDADMM O[C@H]1CCC[C@H](CSc2cccnc2-c2nn[n-]n2)C1 ZINC001607099522 1164080200 /nfs/dbraw/zinc/08/02/00/1164080200.db2.gz BYVWOLYVHFTYAE-UWVGGRQHSA-N -1 1 291.380 1.905 20 0 CDADMM O[C@@H]1c2ccccc2C[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC001607107844 1164088357 /nfs/dbraw/zinc/08/83/57/1164088357.db2.gz BWEYFGJXHOKDJU-TZMCWYRMSA-N -1 1 294.318 1.332 20 0 CDADMM O[C@@H]1c2ccccc2C[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC001607107844 1164088362 /nfs/dbraw/zinc/08/83/62/1164088362.db2.gz BWEYFGJXHOKDJU-TZMCWYRMSA-N -1 1 294.318 1.332 20 0 CDADMM c1[nH]nc2ccc(Sc3nnccc3-c3nn[n-]n3)cc12 ZINC001607112562 1164092552 /nfs/dbraw/zinc/09/25/52/1164092552.db2.gz CJOHTJZMHIWONN-UHFFFAOYSA-N -1 1 296.319 1.684 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC1C[C@H]2CC[C@@H](C1)S2 ZINC001607117022 1164097633 /nfs/dbraw/zinc/09/76/33/1164097633.db2.gz ZADHHEAHTSQADO-CBLAIPOGSA-N -1 1 289.368 1.495 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC1C[C@H]2CC[C@@H](C1)S2 ZINC001607117022 1164097638 /nfs/dbraw/zinc/09/76/38/1164097638.db2.gz ZADHHEAHTSQADO-CBLAIPOGSA-N -1 1 289.368 1.495 20 0 CDADMM c1cc(CNc2nnc(C3CCC3)o2)nc(-c2nnn[n-]2)c1 ZINC001607119131 1164101086 /nfs/dbraw/zinc/10/10/86/1164101086.db2.gz MRVOZILTYDNZRI-UHFFFAOYSA-N -1 1 298.310 1.524 20 0 CDADMM c1cc(CNc2nnc(C3CCC3)o2)nc(-c2nn[n-]n2)c1 ZINC001607119131 1164101089 /nfs/dbraw/zinc/10/10/89/1164101089.db2.gz MRVOZILTYDNZRI-UHFFFAOYSA-N -1 1 298.310 1.524 20 0 CDADMM c1cc(N2CC[C@@H]2[C@@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001607119664 1164101598 /nfs/dbraw/zinc/10/15/98/1164101598.db2.gz GGIRKKMQAPRURD-ZWNOBZJWSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(N2CC[C@@H]2[C@@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001607119664 1164101599 /nfs/dbraw/zinc/10/15/99/1164101599.db2.gz GGIRKKMQAPRURD-ZWNOBZJWSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc2cccc(CNc3ccc(-c4nnn[n-]4)nn3)c2[nH]1 ZINC001607118839 1164102372 /nfs/dbraw/zinc/10/23/72/1164102372.db2.gz AFMGZNVWGADTKF-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1cc2cccc(CNc3ccc(-c4nn[n-]n4)nn3)c2[nH]1 ZINC001607118839 1164102376 /nfs/dbraw/zinc/10/23/76/1164102376.db2.gz AFMGZNVWGADTKF-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1cc(N2CC[C@H]3CCCC[C@H]3C2)nnc1-c1nnn[n-]1 ZINC001607119888 1164104003 /nfs/dbraw/zinc/10/40/03/1164104003.db2.gz LKIDKOVEIKPHBE-MNOVXSKESA-N -1 1 285.355 1.673 20 0 CDADMM c1cc(N2CC[C@H]3CCCC[C@H]3C2)nnc1-c1nn[n-]n1 ZINC001607119888 1164104006 /nfs/dbraw/zinc/10/40/06/1164104006.db2.gz LKIDKOVEIKPHBE-MNOVXSKESA-N -1 1 285.355 1.673 20 0 CDADMM COc1ccc([C@@H](NC(=O)c2[nH]ncc2F)C(=O)[O-])cc1 ZINC001607229437 1164132621 /nfs/dbraw/zinc/13/26/21/1164132621.db2.gz COBSRAFYPRLARM-SNVBAGLBSA-N -1 1 293.254 1.113 20 0 CDADMM CC[C@@H](Cc1ccccc1C)C(=O)NN1CC(=O)[N-]C1=O ZINC000819118949 1164197336 /nfs/dbraw/zinc/19/73/36/1164197336.db2.gz NIKKFUQWQQTGKE-NSHDSACASA-N -1 1 289.335 1.147 20 0 CDADMM Cc1nc[nH]c1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001607499850 1164210427 /nfs/dbraw/zinc/21/04/27/1164210427.db2.gz SJFFRFPPXNIXJC-UHFFFAOYSA-N -1 1 277.255 1.737 20 0 CDADMM Cc1nc[nH]c1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001607692895 1164272035 /nfs/dbraw/zinc/27/20/35/1164272035.db2.gz UXEZFXDQCOEKRN-UHFFFAOYSA-N -1 1 259.265 1.977 20 0 CDADMM Cc1ccc(-n2[nH]c([C@@H]3CCOC3)cc2=O)cc1C(=O)[O-] ZINC001607795181 1164298864 /nfs/dbraw/zinc/29/88/64/1164298864.db2.gz YJQPPUQVGALFGT-SNVBAGLBSA-N -1 1 288.303 1.822 20 0 CDADMM Cc1cccnc1NC(=O)CN[C@](C)(CCF)C(=O)[O-] ZINC001607890304 1164323323 /nfs/dbraw/zinc/32/33/23/1164323323.db2.gz DFVYWXFAURRVSO-CYBMUJFWSA-N -1 1 283.303 1.121 20 0 CDADMM Cc1nc(CCN2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)cs1 ZINC001607954267 1164351119 /nfs/dbraw/zinc/35/11/19/1164351119.db2.gz FBAXONLCJZVZAV-CYBMUJFWSA-N -1 1 295.364 1.299 20 0 CDADMM Cn1ccnc1[C@H]1CCCN(Cc2cc(C(=O)[O-])no2)C1 ZINC001608133615 1164420791 /nfs/dbraw/zinc/42/07/91/1164420791.db2.gz LIRSLZPYIAMLIQ-JTQLQIEISA-N -1 1 290.323 1.486 20 0 CDADMM Cn1nncc1CN[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001608168352 1164432331 /nfs/dbraw/zinc/43/23/31/1164432331.db2.gz SJSPFEAEKZMREZ-LLVKDONJSA-N -1 1 280.715 1.384 20 0 CDADMM Cc1cc(C)cc(CC(=O)OCc2nc(=O)n(C)[n-]2)c1 ZINC000853954846 1164460124 /nfs/dbraw/zinc/46/01/24/1164460124.db2.gz UCDFWDBZURPTPV-UHFFFAOYSA-N -1 1 275.308 1.011 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CCN(C/C=C/Cl)CC1 ZINC001608611100 1164572381 /nfs/dbraw/zinc/57/23/81/1164572381.db2.gz NIBQPVCDKSAEGZ-NSFINFPVSA-N -1 1 286.759 1.040 20 0 CDADMM O=C([O-])c1cc2n(n1)CCC[C@H]2N[C@@H]1C[C@H]1C(F)(F)F ZINC001608867352 1164665481 /nfs/dbraw/zinc/66/54/81/1164665481.db2.gz HBZFXKQJGXCGCH-BWZBUEFSSA-N -1 1 289.257 1.957 20 0 CDADMM O=C([O-])c1ccc(CNCc2ccc(CCO)cc2)nc1 ZINC001608887497 1164677240 /nfs/dbraw/zinc/67/72/40/1164677240.db2.gz DPVQUSBOXOUIDO-UHFFFAOYSA-N -1 1 286.331 1.604 20 0 CDADMM CC1(C)C(Nc2cnc(-c3nnn[n-]3)cn2)C1(C)C ZINC001609143533 1164788381 /nfs/dbraw/zinc/78/83/81/1164788381.db2.gz NWTGTZFYECXTQZ-UHFFFAOYSA-N -1 1 259.317 1.503 20 0 CDADMM CC1(C)C(Nc2cnc(-c3nn[n-]n3)cn2)C1(C)C ZINC001609143533 1164788388 /nfs/dbraw/zinc/78/83/88/1164788388.db2.gz NWTGTZFYECXTQZ-UHFFFAOYSA-N -1 1 259.317 1.503 20 0 CDADMM C[C@@H]1C[C@H](C)N(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001609154046 1164803227 /nfs/dbraw/zinc/80/32/27/1164803227.db2.gz IRFVQWNVLNLPHZ-BDAKNGLRSA-N -1 1 272.312 1.132 20 0 CDADMM C[C@@H]1C[C@H](C)N(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001609154046 1164803234 /nfs/dbraw/zinc/80/32/34/1164803234.db2.gz IRFVQWNVLNLPHZ-BDAKNGLRSA-N -1 1 272.312 1.132 20 0 CDADMM C[C@@H]1CC[C@H](C)N(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001609161675 1164808075 /nfs/dbraw/zinc/80/80/75/1164808075.db2.gz XKZDQDSRUUYPIA-BDAKNGLRSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@@H]1CC[C@H](C)N(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001609161675 1164808083 /nfs/dbraw/zinc/80/80/83/1164808083.db2.gz XKZDQDSRUUYPIA-BDAKNGLRSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@@H]1CN(c2ccc(C)c(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC001609202776 1164841539 /nfs/dbraw/zinc/84/15/39/1164841539.db2.gz OZABOKBMTSEWKH-WDEREUQCSA-N -1 1 288.355 1.574 20 0 CDADMM CC[C@@H]1CN(c2ccc(C)c(-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC001609202776 1164841542 /nfs/dbraw/zinc/84/15/42/1164841542.db2.gz OZABOKBMTSEWKH-WDEREUQCSA-N -1 1 288.355 1.574 20 0 CDADMM CCOC(CCNc1cccc(-c2nnn[n-]2)n1)OCC ZINC001609236731 1164857604 /nfs/dbraw/zinc/85/76/04/1164857604.db2.gz BKTYZADIBYNGRG-UHFFFAOYSA-N -1 1 292.343 1.463 20 0 CDADMM CCOC1CN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC001609239749 1164860703 /nfs/dbraw/zinc/86/07/03/1164860703.db2.gz VEFUZZZAHRNSNP-UHFFFAOYSA-N -1 1 297.322 1.035 20 0 CDADMM CCOC1CN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001609239749 1164860709 /nfs/dbraw/zinc/86/07/09/1164860709.db2.gz VEFUZZZAHRNSNP-UHFFFAOYSA-N -1 1 297.322 1.035 20 0 CDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001609376046 1164917335 /nfs/dbraw/zinc/91/73/35/1164917335.db2.gz LEVIQTZBTKEKHU-LURJTMIESA-N -1 1 299.381 1.005 20 0 CDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001609376046 1164917338 /nfs/dbraw/zinc/91/73/38/1164917338.db2.gz LEVIQTZBTKEKHU-LURJTMIESA-N -1 1 299.381 1.005 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC3(CCC3)[C@@H]2C2CC2)n1 ZINC001609391432 1164923177 /nfs/dbraw/zinc/92/31/77/1164923177.db2.gz JCJCLVDSYLGSNV-LBPRGKRZSA-N -1 1 297.366 1.734 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC3(CCC3)[C@@H]2C2CC2)n1 ZINC001609391432 1164923181 /nfs/dbraw/zinc/92/31/81/1164923181.db2.gz JCJCLVDSYLGSNV-LBPRGKRZSA-N -1 1 297.366 1.734 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC/C=C\C2CC2)n1 ZINC001609392210 1164925303 /nfs/dbraw/zinc/92/53/03/1164925303.db2.gz JBPFGSPZJATZJR-IHWYPQMZSA-N -1 1 257.301 1.343 20 0 CDADMM Cc1ncsc1CCOc1cnc(-c2nn[n-]n2)nc1 ZINC001609457670 1164959770 /nfs/dbraw/zinc/95/97/70/1164959770.db2.gz NRXXYNYOQUGDOU-UHFFFAOYSA-N -1 1 289.324 1.043 20 0 CDADMM O=C(NCC1(C2CC2)CC1)c1csc(-c2nn[n-]n2)c1 ZINC001609544860 1164984386 /nfs/dbraw/zinc/98/43/86/1164984386.db2.gz UBPXSTVVCNAWJQ-UHFFFAOYSA-N -1 1 289.364 1.848 20 0 CDADMM O=C(Nc1cc2c(cn1)CCC2)c1ccc(-c2nn[n-]n2)o1 ZINC001609562127 1164989827 /nfs/dbraw/zinc/98/98/27/1164989827.db2.gz USPWMDSTSNQSDW-UHFFFAOYSA-N -1 1 296.290 1.596 20 0 CDADMM O=Cc1ccc(Oc2cc(-c3nnn[n-]3)ncn2)c(F)c1 ZINC001609591630 1164999594 /nfs/dbraw/zinc/99/95/94/1164999594.db2.gz NSLLTXPXDUZLDP-UHFFFAOYSA-N -1 1 286.226 1.401 20 0 CDADMM O=Cc1ccc(Oc2cc(-c3nn[n-]n3)ncn2)c(F)c1 ZINC001609591630 1164999597 /nfs/dbraw/zinc/99/95/97/1164999597.db2.gz NSLLTXPXDUZLDP-UHFFFAOYSA-N -1 1 286.226 1.401 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC[C@H]1CCC[C@H]1C1CC1 ZINC001609613104 1165007357 /nfs/dbraw/zinc/00/73/57/1165007357.db2.gz KUNCJOWODRKCNT-MNOVXSKESA-N -1 1 285.355 1.895 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC[C@H]1CCC[C@H]1C1CC1 ZINC001609613104 1165007364 /nfs/dbraw/zinc/00/73/64/1165007364.db2.gz KUNCJOWODRKCNT-MNOVXSKESA-N -1 1 285.355 1.895 20 0 CDADMM c1cn(Cc2cnc3ccccc3c2)c(-c2nnn[n-]2)n1 ZINC001609618367 1165014250 /nfs/dbraw/zinc/01/42/50/1165014250.db2.gz 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/nfs/dbraw/zinc/35/83/64/1165358364.db2.gz DWPCIWSGIRXSKI-SECBINFHSA-N -1 1 270.716 1.723 20 0 CDADMM Cc1noc(C2CC2)c1NC(=O)c1cc(C(=O)[O-])no1 ZINC001610577491 1165363275 /nfs/dbraw/zinc/36/32/75/1165363275.db2.gz MONHSRNGCFPFCV-UHFFFAOYSA-N -1 1 277.236 1.799 20 0 CDADMM Cc1oc(C[N@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1C(=O)[O-] ZINC001610583095 1165364757 /nfs/dbraw/zinc/36/47/57/1165364757.db2.gz UNMDAADORPULKE-QPUJVOFHSA-N -1 1 281.308 1.971 20 0 CDADMM Cc1oc(C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1C(=O)[O-] ZINC001610583095 1165364758 /nfs/dbraw/zinc/36/47/58/1165364758.db2.gz UNMDAADORPULKE-QPUJVOFHSA-N -1 1 281.308 1.971 20 0 CDADMM Cn1cc(CN[C@@](C)(CC(=O)[O-])c2ccncc2)cn1 ZINC001610603726 1165373282 /nfs/dbraw/zinc/37/32/82/1165373282.db2.gz XFTOMRHGAURKRH-AWEZNQCLSA-N -1 1 274.324 1.295 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)CCc3ncc[nH]3)[nH]c21 ZINC001610660632 1165400359 /nfs/dbraw/zinc/40/03/59/1165400359.db2.gz NGNGCXFRPYQOEU-UHFFFAOYSA-N -1 1 299.290 1.556 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@@H]1NCc1nc(-c2ccccn2)no1 ZINC001610742706 1165424934 /nfs/dbraw/zinc/42/49/34/1165424934.db2.gz RPGOWNNDPGWXEB-ZJUUUORDSA-N -1 1 288.307 1.475 20 0 CDADMM O=C([O-])Cc1cccc(NC(=O)c2cnc3[nH]cccc2-3)n1 ZINC001610795304 1165444517 /nfs/dbraw/zinc/44/45/17/1165444517.db2.gz JOSBGRCNQARXGG-UHFFFAOYSA-N -1 1 296.286 1.837 20 0 CDADMM O=C([O-])[C@@H]1CN(CN2CCCCCCCC2)C(=O)O1 ZINC001610802785 1165447107 /nfs/dbraw/zinc/44/71/07/1165447107.db2.gz VZZBSXHQPCJHFS-NSHDSACASA-N -1 1 270.329 1.506 20 0 CDADMM Cn1cnnc1CCNC(=O)c1ncc2ccccc2c1[O-] ZINC001616681005 1165573851 /nfs/dbraw/zinc/57/38/51/1165573851.db2.gz AYKMGBYJOUJRNV-UHFFFAOYSA-N -1 1 297.318 1.041 20 0 CDADMM O=C(Nc1cc([O-])c(F)cc1F)c1cnn2cccnc12 ZINC001637366941 1166750679 /nfs/dbraw/zinc/75/06/79/1166750679.db2.gz WIRKZOCMFSTMAT-UHFFFAOYSA-N -1 1 290.229 1.965 20 0 CDADMM CC[C@@H]1C[C@H](CC(=O)Nc2c[n-][nH]c2=O)CCO1 ZINC001638735301 1166868189 /nfs/dbraw/zinc/86/81/89/1166868189.db2.gz BXCAUTXAQSLSOE-RKDXNWHRSA-N -1 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ZINC001590069893 1173243820 /nfs/dbraw/zinc/24/38/20/1173243820.db2.gz ZGHRDLMVEFOFFT-LBPRGKRZSA-N -1 1 273.300 1.275 20 0 CDADMM C[C@@]1(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)C=CCC1 ZINC001590069715 1173244062 /nfs/dbraw/zinc/24/40/62/1173244062.db2.gz SMNSATHOXSISLR-CQSZACIVSA-N -1 1 299.338 1.762 20 0 CDADMM C[C@@]1(C(=O)OCc2ccc(-c3nnn[n-]3)o2)CCCCO1 ZINC001590074353 1173245041 /nfs/dbraw/zinc/24/50/41/1173245041.db2.gz SOZDXZCSYWAXDV-ZDUSSCGKSA-N -1 1 292.295 1.462 20 0 CDADMM C[C@@]1(C(=O)OCc2ccc(-c3nn[n-]n3)o2)CCCCO1 ZINC001590074353 1173245045 /nfs/dbraw/zinc/24/50/45/1173245045.db2.gz SOZDXZCSYWAXDV-ZDUSSCGKSA-N -1 1 292.295 1.462 20 0 CDADMM CC1(C)C(C)(C)C1(C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590076197 1173245281 /nfs/dbraw/zinc/24/52/81/1173245281.db2.gz QQEJYYBCFYPQJW-UHFFFAOYSA-N -1 1 273.344 1.893 20 0 CDADMM CC1(C)C(C)(C)C1(C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590076197 1173245285 /nfs/dbraw/zinc/24/52/85/1173245285.db2.gz QQEJYYBCFYPQJW-UHFFFAOYSA-N -1 1 273.344 1.893 20 0 CDADMM CC1(C)CC[C@@H](COC(=O)c2ccc(-c3nn[n-]n3)o2)O1 ZINC001590089701 1173251039 /nfs/dbraw/zinc/25/10/39/1173251039.db2.gz BZBWEFCCPYNVCU-QMMMGPOBSA-N -1 1 292.295 1.574 20 0 CDADMM CC1(C)CO[C@H](COC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590112352 1173261175 /nfs/dbraw/zinc/26/11/75/1173261175.db2.gz YENVNGCXWKBINP-VIFPVBQESA-N -1 1 292.295 1.432 20 0 CDADMM CC1(C)CO[C@H](COC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590112352 1173261180 /nfs/dbraw/zinc/26/11/80/1173261180.db2.gz YENVNGCXWKBINP-VIFPVBQESA-N -1 1 292.295 1.432 20 0 CDADMM CC1(C)C[C@@H]1COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590113796 1173263089 /nfs/dbraw/zinc/26/30/89/1173263089.db2.gz UXXNGWYMFBUSBS-MRVPVSSYSA-N -1 1 273.296 1.465 20 0 CDADMM CC1(C)C[C@@H]1COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590113796 1173263094 /nfs/dbraw/zinc/26/30/94/1173263094.db2.gz UXXNGWYMFBUSBS-MRVPVSSYSA-N -1 1 273.296 1.465 20 0 CDADMM C[C@]1(F)CCCN(C(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001590141992 1173269260 /nfs/dbraw/zinc/26/92/60/1173269260.db2.gz QXKGCGPKKDAFOF-LBPRGKRZSA-N -1 1 295.343 1.892 20 0 CDADMM C[C@@H]1C[C@H](C(=O)OCc2ccc(-c3nnn[n-]3)o2)[C@H](C)O1 ZINC001590186079 1173281266 /nfs/dbraw/zinc/28/12/66/1173281266.db2.gz RIOHKXSWRQGUEF-WEDXCCLWSA-N -1 1 292.295 1.316 20 0 CDADMM C[C@@H]1C[C@H](C(=O)OCc2ccc(-c3nn[n-]n3)o2)[C@H](C)O1 ZINC001590186079 1173281274 /nfs/dbraw/zinc/28/12/74/1173281274.db2.gz RIOHKXSWRQGUEF-WEDXCCLWSA-N -1 1 292.295 1.316 20 0 CDADMM C[C@@H]1C[C@H](C)N1C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590190726 1173285472 /nfs/dbraw/zinc/28/54/72/1173285472.db2.gz NQLGWKSRCBAFRJ-KNVOCYPGSA-N -1 1 293.277 1.768 20 0 CDADMM C[C@@H]1C[C@H](C)N1C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590190726 1173285476 /nfs/dbraw/zinc/28/54/76/1173285476.db2.gz NQLGWKSRCBAFRJ-KNVOCYPGSA-N -1 1 293.277 1.768 20 0 CDADMM C[C@H]1C[C@H]1CNC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590218984 1173298575 /nfs/dbraw/zinc/29/85/75/1173298575.db2.gz IPJPCTMVRPSTOY-YUMQZZPRSA-N -1 1 292.368 1.383 20 0 CDADMM C[C@@H]1CCC[C@H](C)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590243702 1173314608 /nfs/dbraw/zinc/31/46/08/1173314608.db2.gz MTUGSIKMCWGPJK-ZJUUUORDSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1CCC[C@H](C)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590243702 1173314614 /nfs/dbraw/zinc/31/46/14/1173314614.db2.gz MTUGSIKMCWGPJK-ZJUUUORDSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1CCC[C@H](OC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590249068 1173321790 /nfs/dbraw/zinc/32/17/90/1173321790.db2.gz ANMYURSYGKPVTO-ZJUUUORDSA-N -1 1 287.323 1.997 20 0 CDADMM C[C@@H]1CCC[C@H](OC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590249068 1173321798 /nfs/dbraw/zinc/32/17/98/1173321798.db2.gz ANMYURSYGKPVTO-ZJUUUORDSA-N -1 1 287.323 1.997 20 0 CDADMM C[C@@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)[C@H]1C ZINC001590308220 1173344366 /nfs/dbraw/zinc/34/43/66/1173344366.db2.gz FZNILOPLVKRZTI-RQJHMYQMSA-N -1 1 250.331 1.163 20 0 CDADMM C[C@@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)[C@H]1C ZINC001590308220 1173344373 /nfs/dbraw/zinc/34/43/73/1173344373.db2.gz FZNILOPLVKRZTI-RQJHMYQMSA-N -1 1 250.331 1.163 20 0 CDADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H](C)C1(F)F ZINC001590316746 1173351481 /nfs/dbraw/zinc/35/14/81/1173351481.db2.gz QDKHJWGZCBLEIS-HTQZYQBOSA-N -1 1 295.297 1.384 20 0 CDADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H](C)C1(F)F ZINC001590316746 1173351470 /nfs/dbraw/zinc/35/14/70/1173351470.db2.gz QDKHJWGZCBLEIS-HTQZYQBOSA-N -1 1 295.297 1.384 20 0 CDADMM C[C@@H]1OCC[C@@]1(C)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590333298 1173359750 /nfs/dbraw/zinc/35/97/50/1173359750.db2.gz DYVYZDMXCDUAHV-JVXZTZIISA-N -1 1 293.352 1.226 20 0 CDADMM CCC(C)(C)[C@@H](C)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590373539 1173381708 /nfs/dbraw/zinc/38/17/08/1173381708.db2.gz KCKCMOFMJNZRIY-SECBINFHSA-N -1 1 288.355 1.816 20 0 CDADMM CCC(C)(C)[C@@H](C)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590373539 1173381710 /nfs/dbraw/zinc/38/17/10/1173381710.db2.gz KCKCMOFMJNZRIY-SECBINFHSA-N -1 1 288.355 1.816 20 0 CDADMM CC[C@H](C)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001590396048 1173387587 /nfs/dbraw/zinc/38/75/87/1173387587.db2.gz IYXDWWVCCVLJOV-QMMMGPOBSA-N -1 1 291.359 1.803 20 0 CDADMM CC[C@H](C)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001590396048 1173387592 /nfs/dbraw/zinc/38/75/92/1173387592.db2.gz IYXDWWVCCVLJOV-QMMMGPOBSA-N -1 1 291.359 1.803 20 0 CDADMM CCC(CC)Sc1cc(-c2nnn[n-]2)ncn1 ZINC001590436741 1173407518 /nfs/dbraw/zinc/40/75/18/1173407518.db2.gz KTYVTCUIRVYXMR-UHFFFAOYSA-N -1 1 250.331 1.937 20 0 CDADMM CCC(CC)Sc1cc(-c2nn[n-]n2)ncn1 ZINC001590436741 1173407529 /nfs/dbraw/zinc/40/75/29/1173407529.db2.gz KTYVTCUIRVYXMR-UHFFFAOYSA-N -1 1 250.331 1.937 20 0 CDADMM CC[C@H](Nc1ccnc(-c2nnn[n-]2)c1)C1CCOCC1 ZINC001590474103 1173424281 /nfs/dbraw/zinc/42/42/81/1173424281.db2.gz XXDYSUABOJYDLF-LBPRGKRZSA-N -1 1 288.355 1.301 20 0 CDADMM CC[C@H](Nc1ccnc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC001590474103 1173424285 /nfs/dbraw/zinc/42/42/85/1173424285.db2.gz XXDYSUABOJYDLF-LBPRGKRZSA-N -1 1 288.355 1.301 20 0 CDADMM CC[C@@]1(CO)CCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590496102 1173435063 /nfs/dbraw/zinc/43/50/63/1173435063.db2.gz NIPQOKDTPBJXOD-CQSZACIVSA-N -1 1 288.355 1.251 20 0 CDADMM CC[C@@]1(CO)CCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590496102 1173435068 /nfs/dbraw/zinc/43/50/68/1173435068.db2.gz NIPQOKDTPBJXOD-CQSZACIVSA-N -1 1 288.355 1.251 20 0 CDADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590503591 1173439146 /nfs/dbraw/zinc/43/91/46/1173439146.db2.gz PLPSDUVPQUPMQC-WCBMZHEXSA-N -1 1 275.312 1.720 20 0 CDADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590503591 1173439153 /nfs/dbraw/zinc/43/91/53/1173439153.db2.gz PLPSDUVPQUPMQC-WCBMZHEXSA-N -1 1 275.312 1.720 20 0 CDADMM CC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001590515221 1173446931 /nfs/dbraw/zinc/44/69/31/1173446931.db2.gz ZKOSRYLGBVFEGY-BDAKNGLRSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001590515221 1173446936 /nfs/dbraw/zinc/44/69/36/1173446936.db2.gz ZKOSRYLGBVFEGY-BDAKNGLRSA-N -1 1 259.317 1.282 20 0 CDADMM CCCCN(Cn1cccc(-c2nnn[n-]2)c1=O)C1CC1 ZINC001590601903 1173471512 /nfs/dbraw/zinc/47/15/12/1173471512.db2.gz PYGNTSRSRYLLIP-UHFFFAOYSA-N -1 1 288.355 1.250 20 0 CDADMM CCOCCCCNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001590810909 1173519570 /nfs/dbraw/zinc/51/95/70/1173519570.db2.gz OKERASBRDNMJBD-UHFFFAOYSA-N -1 1 276.344 1.799 20 0 CDADMM CCOCCCCNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001590810909 1173519572 /nfs/dbraw/zinc/51/95/72/1173519572.db2.gz OKERASBRDNMJBD-UHFFFAOYSA-N -1 1 276.344 1.799 20 0 CDADMM CCON(CC)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001590818507 1173522924 /nfs/dbraw/zinc/52/29/24/1173522924.db2.gz CPEOLDVWAUBGEJ-UHFFFAOYSA-N -1 1 274.737 1.754 20 0 CDADMM CC[C@@H]1CC[C@H](C)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590858707 1173528462 /nfs/dbraw/zinc/52/84/62/1173528462.db2.gz PMNPJGODQBCKMH-VHSXEESVSA-N -1 1 273.344 1.672 20 0 CDADMM CC[C@@H]1CC[C@H](C)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590858707 1173528473 /nfs/dbraw/zinc/52/84/73/1173528473.db2.gz PMNPJGODQBCKMH-VHSXEESVSA-N -1 1 273.344 1.672 20 0 CDADMM CCOc1ccccc1CNc1cncc(-c2nnn[n-]2)n1 ZINC001590854333 1173529024 /nfs/dbraw/zinc/52/90/24/1173529024.db2.gz FTGPONFBRCHHDC-UHFFFAOYSA-N -1 1 297.322 1.668 20 0 CDADMM CCOc1ccccc1CNc1cncc(-c2nn[n-]n2)n1 ZINC001590854333 1173529028 /nfs/dbraw/zinc/52/90/28/1173529028.db2.gz FTGPONFBRCHHDC-UHFFFAOYSA-N -1 1 297.322 1.668 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@H](C)CC)n1 ZINC001590903387 1173538249 /nfs/dbraw/zinc/53/82/49/1173538249.db2.gz SGPAMVHXOWGHEF-MRVPVSSYSA-N -1 1 261.333 1.454 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@H](C)CC)n1 ZINC001590903387 1173538254 /nfs/dbraw/zinc/53/82/54/1173538254.db2.gz SGPAMVHXOWGHEF-MRVPVSSYSA-N -1 1 261.333 1.454 20 0 CDADMM CCc1nc(COc2cccnc2-c2nnn[n-]2)cs1 ZINC001590913911 1173540783 /nfs/dbraw/zinc/54/07/83/1173540783.db2.gz OXQNOQFXUMIFDS-UHFFFAOYSA-N -1 1 288.336 1.860 20 0 CDADMM CN(C(=O)[C@H]1C[C@H]2C[C@H]2C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590986820 1173557176 /nfs/dbraw/zinc/55/71/76/1173557176.db2.gz LNVLGDLVUBTVJG-MYJAWHEDSA-N -1 1 284.323 1.271 20 0 CDADMM CN(C(=O)[C@H]1C[C@H]2C[C@H]2C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590986820 1173557184 /nfs/dbraw/zinc/55/71/84/1173557184.db2.gz LNVLGDLVUBTVJG-MYJAWHEDSA-N -1 1 284.323 1.271 20 0 CDADMM CO[C@H]1C[C@H](Nc2cc(C)nc(-c3nnn[n-]3)c2)C1(C)C ZINC001591350523 1173622358 /nfs/dbraw/zinc/62/23/58/1173622358.db2.gz SIULMUKVXGAIIE-RYUDHWBXSA-N -1 1 288.355 1.217 20 0 CDADMM CO[C@H]1C[C@H](Nc2cc(C)nc(-c3nn[n-]n3)c2)C1(C)C ZINC001591350523 1173622365 /nfs/dbraw/zinc/62/23/65/1173622365.db2.gz SIULMUKVXGAIIE-RYUDHWBXSA-N -1 1 288.355 1.217 20 0 CDADMM COC[C@@H](NC(=O)c1csc(-c2nn[n-]n2)c1)C1CC1 ZINC001591381486 1173640019 /nfs/dbraw/zinc/64/00/19/1173640019.db2.gz JSLSHKDDJIETQC-SECBINFHSA-N -1 1 293.352 1.083 20 0 CDADMM COCC1(Cn2ccn3ncc(-c4nn[n-]n4)c23)CCC1 ZINC001591388408 1173641168 /nfs/dbraw/zinc/64/11/68/1173641168.db2.gz CJCMZPWEVIQPAJ-UHFFFAOYSA-N -1 1 287.327 1.133 20 0 CDADMM CSC(C)(C)CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591685202 1173678657 /nfs/dbraw/zinc/67/86/57/1173678657.db2.gz UHJYLFITYBBEQV-UHFFFAOYSA-N -1 1 297.409 1.800 20 0 CDADMM C[C@@H]1CC=CC[C@H]1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591732167 1173693642 /nfs/dbraw/zinc/69/36/42/1173693642.db2.gz IVUQRTHPSZDCJS-MWLCHTKSSA-N -1 1 284.323 1.346 20 0 CDADMM C[C@@H]1CC=CC[C@H]1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591732167 1173693646 /nfs/dbraw/zinc/69/36/46/1173693646.db2.gz IVUQRTHPSZDCJS-MWLCHTKSSA-N -1 1 284.323 1.346 20 0 CDADMM C[C@@H]1C[C@H](C)CCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001591734573 1173695144 /nfs/dbraw/zinc/69/51/44/1173695144.db2.gz HJEXYFVGDHCECE-NXEZZACHSA-N -1 1 273.344 1.529 20 0 CDADMM C[C@@H]1C[C@H](C)CCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001591734573 1173695151 /nfs/dbraw/zinc/69/51/51/1173695151.db2.gz HJEXYFVGDHCECE-NXEZZACHSA-N -1 1 273.344 1.529 20 0 CDADMM Cc1c([C@H](C)Nc2cccnc2-c2nnn[n-]2)cnn1C ZINC001591813722 1173709013 /nfs/dbraw/zinc/70/90/13/1173709013.db2.gz KTVGNEBTSLKXKJ-QMMMGPOBSA-N -1 1 284.327 1.477 20 0 CDADMM Cc1c([C@H](C)Nc2cccnc2-c2nn[n-]n2)cnn1C ZINC001591813722 1173709017 /nfs/dbraw/zinc/70/90/17/1173709017.db2.gz KTVGNEBTSLKXKJ-QMMMGPOBSA-N -1 1 284.327 1.477 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H]2CC(C)C)n1 ZINC001591889255 1173738385 /nfs/dbraw/zinc/73/83/85/1173738385.db2.gz RVHQBLVOVNBIMP-NSHDSACASA-N -1 1 287.371 1.980 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H]2CC(C)C)n1 ZINC001591889255 1173738389 /nfs/dbraw/zinc/73/83/89/1173738389.db2.gz RVHQBLVOVNBIMP-NSHDSACASA-N -1 1 287.371 1.980 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2C[C@@H]3CCC[C@@H]23)n1 ZINC001591892753 1173741484 /nfs/dbraw/zinc/74/14/84/1173741484.db2.gz LQWDZBSKKIMRCP-IVZWLZJFSA-N -1 1 271.328 1.566 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2C[C@@H]3CCC[C@@H]23)n1 ZINC001591892753 1173741493 /nfs/dbraw/zinc/74/14/93/1173741493.db2.gz LQWDZBSKKIMRCP-IVZWLZJFSA-N -1 1 271.328 1.566 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(Oc2cccc(F)c2)n1 ZINC001591903712 1173745431 /nfs/dbraw/zinc/74/54/31/1173745431.db2.gz QIWZPTHOKAOAAA-UHFFFAOYSA-N -1 1 272.243 1.897 20 0 CDADMM Cc1cc(N[C@@H](C)C[C@H]2CCOC2)nc(-c2nnn[n-]2)c1 ZINC001592034511 1173779358 /nfs/dbraw/zinc/77/93/58/1173779358.db2.gz RIJIWEGHQRPTCK-WDEREUQCSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(N[C@@H](C)C[C@H]2CCOC2)nc(-c2nn[n-]n2)c1 ZINC001592034511 1173779364 /nfs/dbraw/zinc/77/93/64/1173779364.db2.gz RIJIWEGHQRPTCK-WDEREUQCSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(NC[C@@H]2C[C@@H](C)O[C@@H]2C)nc(-c2nnn[n-]2)c1 ZINC001592043473 1173784453 /nfs/dbraw/zinc/78/44/53/1173784453.db2.gz GRRXECBUEQBUKV-MXWKQRLJSA-N -1 1 288.355 1.796 20 0 CDADMM Cc1cc(NC[C@@H]2C[C@@H](C)O[C@@H]2C)nc(-c2nn[n-]n2)c1 ZINC001592043473 1173784458 /nfs/dbraw/zinc/78/44/58/1173784458.db2.gz GRRXECBUEQBUKV-MXWKQRLJSA-N -1 1 288.355 1.796 20 0 CDADMM Cc1cc(N[C@@H](C)c2cccc(O)c2)cc(-c2nnn[n-]2)n1 ZINC001592054653 1173789173 /nfs/dbraw/zinc/78/91/73/1173789173.db2.gz PICGYROZOMUTME-JTQLQIEISA-N -1 1 296.334 1.871 20 0 CDADMM Cc1cc(N[C@@H](C)c2cccc(O)c2)cc(-c2nn[n-]n2)n1 ZINC001592054653 1173789177 /nfs/dbraw/zinc/78/91/77/1173789177.db2.gz PICGYROZOMUTME-JTQLQIEISA-N -1 1 296.334 1.871 20 0 CDADMM Cc1ccc(CN(C)c2ccc(-c3nnn[n-]3)nn2)cc1C ZINC001592152065 1173811464 /nfs/dbraw/zinc/81/14/64/1173811464.db2.gz ANZOWLGEBDYEIW-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccc(CN(C)c2ccc(-c3nn[n-]n3)nn2)cc1C ZINC001592152065 1173811466 /nfs/dbraw/zinc/81/14/66/1173811466.db2.gz ANZOWLGEBDYEIW-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccc(C)c(OCCn2cc(-c3nn[n-]n3)nn2)c1 ZINC001592140758 1173813465 /nfs/dbraw/zinc/81/34/65/1173813465.db2.gz ZEZUWWSHSYTDOU-UHFFFAOYSA-N -1 1 285.311 1.154 20 0 CDADMM Cc1ccc(N[C@H]2CCOC[C@H]2C)c(-c2nnn[n-]2)n1 ZINC001592183411 1173829113 /nfs/dbraw/zinc/82/91/13/1173829113.db2.gz CZCHQNYRHKWXFB-SCZZXKLOSA-N -1 1 274.328 1.407 20 0 CDADMM Cc1cncc(CNC(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001592300114 1173846117 /nfs/dbraw/zinc/84/61/17/1173846117.db2.gz JIQHZZARIWGISU-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1cncc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001592300114 1173846122 /nfs/dbraw/zinc/84/61/22/1173846122.db2.gz JIQHZZARIWGISU-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1nc([C@@H](C)NCc2ccc(-c3nnn[n-]3)o2)no1 ZINC001592354203 1173866034 /nfs/dbraw/zinc/86/60/34/1173866034.db2.gz MURYBCYCBJGXJS-ZCFIWIBFSA-N -1 1 275.272 1.002 20 0 CDADMM Cc1nc(NC[C@@H]2CC2(C)C)cc(-c2nnn[n-]2)n1 ZINC001592387615 1173878980 /nfs/dbraw/zinc/87/89/80/1173878980.db2.gz KOEHVZODBJLHPS-QMMMGPOBSA-N -1 1 259.317 1.423 20 0 CDADMM Cc1nc(NC[C@@H]2CC2(C)C)cc(-c2nn[n-]n2)n1 ZINC001592387615 1173878984 /nfs/dbraw/zinc/87/89/84/1173878984.db2.gz KOEHVZODBJLHPS-QMMMGPOBSA-N -1 1 259.317 1.423 20 0 CDADMM Cc1nc(NCCOCC2CCC2)cc(-c2nnn[n-]2)n1 ZINC001592391964 1173879219 /nfs/dbraw/zinc/87/92/19/1173879219.db2.gz YBBQSLSYAZWMRE-UHFFFAOYSA-N -1 1 289.343 1.194 20 0 CDADMM Cc1nc(NCCOCC2CCC2)cc(-c2nn[n-]n2)n1 ZINC001592391964 1173879225 /nfs/dbraw/zinc/87/92/25/1173879225.db2.gz YBBQSLSYAZWMRE-UHFFFAOYSA-N -1 1 289.343 1.194 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@H]2CCCC[C@H]21 ZINC001592500557 1173908169 /nfs/dbraw/zinc/90/81/69/1173908169.db2.gz XCVXMZSQEHCVLD-MWLCHTKSSA-N -1 1 287.323 1.783 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@H]2CCCC[C@H]21 ZINC001592500557 1173908179 /nfs/dbraw/zinc/90/81/79/1173908179.db2.gz XCVXMZSQEHCVLD-MWLCHTKSSA-N -1 1 287.323 1.783 20 0 CDADMM Clc1nsc(N2CC[C@H]3C[C@H]32)c1-c1nnn[n-]1 ZINC001592537428 1173914707 /nfs/dbraw/zinc/91/47/07/1173914707.db2.gz GFEKLBBWUGIALK-CRCLSJGQSA-N -1 1 268.733 1.575 20 0 CDADMM Clc1nsc(N2CC[C@H]3C[C@H]32)c1-c1nn[n-]n1 ZINC001592537428 1173914712 /nfs/dbraw/zinc/91/47/12/1173914712.db2.gz GFEKLBBWUGIALK-CRCLSJGQSA-N -1 1 268.733 1.575 20 0 CDADMM FC(F)C[C@@H]1COCCN1c1cccc(-c2nnn[n-]2)n1 ZINC001592625676 1173931675 /nfs/dbraw/zinc/93/16/75/1173931675.db2.gz WETFUEFTRNDMQM-MRVPVSSYSA-N -1 1 296.281 1.122 20 0 CDADMM FC(F)C[C@@H]1COCCN1c1cccc(-c2nn[n-]n2)n1 ZINC001592625676 1173931680 /nfs/dbraw/zinc/93/16/80/1173931680.db2.gz WETFUEFTRNDMQM-MRVPVSSYSA-N -1 1 296.281 1.122 20 0 CDADMM F[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001592632357 1173945455 /nfs/dbraw/zinc/94/54/55/1173945455.db2.gz CZWFBOPNGROQDW-NXEZZACHSA-N -1 1 262.292 1.376 20 0 CDADMM F[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001592632357 1173945460 /nfs/dbraw/zinc/94/54/60/1173945460.db2.gz CZWFBOPNGROQDW-NXEZZACHSA-N -1 1 262.292 1.376 20 0 CDADMM Fc1ccc(CNc2cc(-c3nnn[n-]3)ncn2)cc1F ZINC001592649569 1173952839 /nfs/dbraw/zinc/95/28/39/1173952839.db2.gz KIYDWEBSRFVKEF-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM Fc1ccc(CNc2cc(-c3nn[n-]n3)ncn2)cc1F ZINC001592649569 1173952844 /nfs/dbraw/zinc/95/28/44/1173952844.db2.gz KIYDWEBSRFVKEF-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM Fc1ccccc1CCCNc1nccnc1-c1nnn[n-]1 ZINC001592659169 1173958107 /nfs/dbraw/zinc/95/81/07/1173958107.db2.gz VDIIKFSHTAVROS-UHFFFAOYSA-N -1 1 299.313 1.841 20 0 CDADMM Fc1ccccc1CCCNc1nccnc1-c1nn[n-]n1 ZINC001592659169 1173958112 /nfs/dbraw/zinc/95/81/12/1173958112.db2.gz VDIIKFSHTAVROS-UHFFFAOYSA-N -1 1 299.313 1.841 20 0 CDADMM O=C(N[C@H]1C=CCC1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001592966024 1174007577 /nfs/dbraw/zinc/00/75/77/1174007577.db2.gz RFQKIJVIDPTJAG-QMMMGPOBSA-N -1 1 291.261 1.593 20 0 CDADMM O=C(N[C@H]1C=CCC1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001592966024 1174007583 /nfs/dbraw/zinc/00/75/83/1174007583.db2.gz RFQKIJVIDPTJAG-QMMMGPOBSA-N -1 1 291.261 1.593 20 0 CDADMM O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1cccc(F)c1-c1nnn[n-]1 ZINC001592968432 1174007638 /nfs/dbraw/zinc/00/76/38/1174007638.db2.gz FDDHHDPBOASVER-AYMMMOKOSA-N -1 1 287.298 1.534 20 0 CDADMM O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001592968432 1174007643 /nfs/dbraw/zinc/00/76/43/1174007643.db2.gz FDDHHDPBOASVER-AYMMMOKOSA-N -1 1 287.298 1.534 20 0 CDADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@H]1CC12CCC2 ZINC001593150681 1174026251 /nfs/dbraw/zinc/02/62/51/1174026251.db2.gz ZBGZLBYHVAXFEP-SSDOTTSWSA-N -1 1 290.352 1.130 20 0 CDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CC12CCC2 ZINC001593147459 1174026482 /nfs/dbraw/zinc/02/64/82/1174026482.db2.gz UKLFDPULBCPRQW-JTQLQIEISA-N -1 1 284.323 1.068 20 0 CDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CC12CCC2 ZINC001593147459 1174026492 /nfs/dbraw/zinc/02/64/92/1174026492.db2.gz UKLFDPULBCPRQW-JTQLQIEISA-N -1 1 284.323 1.068 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)C1CCCCC1 ZINC001593259570 1174043631 /nfs/dbraw/zinc/04/36/31/1174043631.db2.gz CLLSUDSMXYHYLB-UHFFFAOYSA-N -1 1 261.289 1.109 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)C1CCC1 ZINC001593301167 1174059279 /nfs/dbraw/zinc/05/92/79/1174059279.db2.gz DVMJUOSZVIRLCC-UHFFFAOYSA-N -1 1 259.269 1.105 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)C1CCC1 ZINC001593301167 1174059288 /nfs/dbraw/zinc/05/92/88/1174059288.db2.gz DVMJUOSZVIRLCC-UHFFFAOYSA-N -1 1 259.269 1.105 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@H]1CCSC1 ZINC001593302225 1174059353 /nfs/dbraw/zinc/05/93/53/1174059353.db2.gz XDSJSTSAMXPGSF-VIFPVBQESA-N -1 1 291.336 1.058 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@H]1CCSC1 ZINC001593302225 1174059358 /nfs/dbraw/zinc/05/93/58/1174059358.db2.gz XDSJSTSAMXPGSF-VIFPVBQESA-N -1 1 291.336 1.058 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@H]1CC=CCC1 ZINC001593301774 1174059962 /nfs/dbraw/zinc/05/99/62/1174059962.db2.gz PDVWLMAULOIVQE-JTQLQIEISA-N -1 1 285.307 1.661 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@H]1CC=CCC1 ZINC001593301774 1174059967 /nfs/dbraw/zinc/05/99/67/1174059967.db2.gz PDVWLMAULOIVQE-JTQLQIEISA-N -1 1 285.307 1.661 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@H]1C(F)(F)F ZINC001593340131 1174068871 /nfs/dbraw/zinc/06/88/71/1174068871.db2.gz BZLGNNAYBLVZIB-ZETCQYMHSA-N -1 1 287.201 1.237 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@H]1C(F)(F)F ZINC001593340131 1174068875 /nfs/dbraw/zinc/06/88/75/1174068875.db2.gz BZLGNNAYBLVZIB-ZETCQYMHSA-N -1 1 287.201 1.237 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC(F)CC1 ZINC001593341362 1174069171 /nfs/dbraw/zinc/06/91/71/1174069171.db2.gz UIMGAEGLPDJOBX-UHFFFAOYSA-N -1 1 265.248 1.034 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC(F)CC1 ZINC001593341362 1174069174 /nfs/dbraw/zinc/06/91/74/1174069174.db2.gz UIMGAEGLPDJOBX-UHFFFAOYSA-N -1 1 265.248 1.034 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCCc2occc2C1 ZINC001593369384 1174071338 /nfs/dbraw/zinc/07/13/38/1174071338.db2.gz JQYZDGWLQYGZGT-UHFFFAOYSA-N -1 1 299.290 1.641 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCCc2occc2C1 ZINC001593369384 1174071345 /nfs/dbraw/zinc/07/13/45/1174071345.db2.gz JQYZDGWLQYGZGT-UHFFFAOYSA-N -1 1 299.290 1.641 20 0 CDADMM O=C1CC[C@@H](CSc2cccc(F)c2-c2nn[n-]n2)O1 ZINC001593391674 1174075539 /nfs/dbraw/zinc/07/55/39/1174075539.db2.gz UKAJDJNAMQKZSY-ZETCQYMHSA-N -1 1 294.311 1.804 20 0 CDADMM c1cc(-c2nc([C@H]3CCCOC3)no2)oc1-c1nn[n-]n1 ZINC001593545017 1174114083 /nfs/dbraw/zinc/11/40/83/1174114083.db2.gz UHDSJQHXOSGUGR-ZETCQYMHSA-N -1 1 288.267 1.404 20 0 CDADMM c1cc(N2C[C@@H](C3CC3)[C@H]2C2CC2)nnc1-c1nnn[n-]1 ZINC001593557670 1174131419 /nfs/dbraw/zinc/13/14/19/1174131419.db2.gz QXYKFAMJJVMCFR-GXFFZTMASA-N -1 1 283.339 1.282 20 0 CDADMM c1cc(N2C[C@@H](C3CC3)[C@H]2C2CC2)nnc1-c1nn[n-]n1 ZINC001593557670 1174131423 /nfs/dbraw/zinc/13/14/23/1174131423.db2.gz QXYKFAMJJVMCFR-GXFFZTMASA-N -1 1 283.339 1.282 20 0 CDADMM c1cc(NC[C@H]2CCCSC2)nc(-c2nnn[n-]2)c1 ZINC001593557888 1174133428 /nfs/dbraw/zinc/13/34/28/1174133428.db2.gz APYHEBRSZYMICW-SECBINFHSA-N -1 1 276.369 1.817 20 0 CDADMM c1cc(NC[C@H]2CCCSC2)nc(-c2nn[n-]n2)c1 ZINC001593557888 1174133433 /nfs/dbraw/zinc/13/34/33/1174133433.db2.gz APYHEBRSZYMICW-SECBINFHSA-N -1 1 276.369 1.817 20 0 CDADMM c1cc(N[C@@H]2COC3(CCC3)C2)nc(-c2nnn[n-]2)c1 ZINC001593559485 1174135285 /nfs/dbraw/zinc/13/52/85/1174135285.db2.gz ZIZBSXFMZIEQBE-VIFPVBQESA-N -1 1 272.312 1.385 20 0 CDADMM c1cc(N[C@@H]2COC3(CCC3)C2)nc(-c2nn[n-]n2)c1 ZINC001593559485 1174135290 /nfs/dbraw/zinc/13/52/90/1174135290.db2.gz ZIZBSXFMZIEQBE-VIFPVBQESA-N -1 1 272.312 1.385 20 0 CDADMM c1cc(NCCC2CCOCC2)cc(-c2nnn[n-]2)n1 ZINC001593561227 1174136402 /nfs/dbraw/zinc/13/64/02/1174136402.db2.gz SPIPQDFYNHLDHE-UHFFFAOYSA-N -1 1 274.328 1.490 20 0 CDADMM c1cc(NCCC2CCOCC2)cc(-c2nn[n-]n2)n1 ZINC001593561227 1174136405 /nfs/dbraw/zinc/13/64/05/1174136405.db2.gz SPIPQDFYNHLDHE-UHFFFAOYSA-N -1 1 274.328 1.490 20 0 CDADMM c1ccc(C[C@@H]2C[C@@H]2Nc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001593572346 1174143562 /nfs/dbraw/zinc/14/35/62/1174143562.db2.gz ZOGGPWQKMBCMOP-NEPJUHHUSA-N -1 1 293.334 1.700 20 0 CDADMM c1ccc(C[C@@H]2C[C@@H]2Nc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001593572346 1174143566 /nfs/dbraw/zinc/14/35/66/1174143566.db2.gz ZOGGPWQKMBCMOP-NEPJUHHUSA-N -1 1 293.334 1.700 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@@H]2CCCC23CC3)n1 ZINC001593582838 1174147804 /nfs/dbraw/zinc/14/78/04/1174147804.db2.gz AZBQBKNYWMIYKR-MRVPVSSYSA-N -1 1 257.301 1.401 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@@H]2CCCC23CC3)n1 ZINC001593582838 1174147807 /nfs/dbraw/zinc/14/78/07/1174147807.db2.gz AZBQBKNYWMIYKR-MRVPVSSYSA-N -1 1 257.301 1.401 20 0 CDADMM c1sc(CN[C@H]2CCc3cccnc32)nc1-c1nnn[n-]1 ZINC001593587342 1174152726 /nfs/dbraw/zinc/15/27/26/1174152726.db2.gz HRTOVPBJDBRCKI-VIFPVBQESA-N -1 1 299.363 1.495 20 0 CDADMM c1sc(CN[C@H]2CCc3cccnc32)nc1-c1nn[n-]n1 ZINC001593587342 1174152730 /nfs/dbraw/zinc/15/27/30/1174152730.db2.gz HRTOVPBJDBRCKI-VIFPVBQESA-N -1 1 299.363 1.495 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC001593589972 1174157298 /nfs/dbraw/zinc/15/72/98/1174157298.db2.gz ASZZCAJGBDNPIX-NGZCFLSTSA-N -1 1 287.327 1.026 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC001593589972 1174157300 /nfs/dbraw/zinc/15/73/00/1174157300.db2.gz ASZZCAJGBDNPIX-NGZCFLSTSA-N -1 1 287.327 1.026 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1N[C@@H]1CCO[C@H](C2CC2)C1 ZINC001593590362 1174158013 /nfs/dbraw/zinc/15/80/13/1174158013.db2.gz PITSLIMLGDSOFB-KOLCDFICSA-N -1 1 287.327 1.026 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1N[C@@H]1CCO[C@H](C2CC2)C1 ZINC001593590362 1174158017 /nfs/dbraw/zinc/15/80/17/1174158017.db2.gz PITSLIMLGDSOFB-KOLCDFICSA-N -1 1 287.327 1.026 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001593590570 1174158251 /nfs/dbraw/zinc/15/82/51/1174158251.db2.gz YMGSTEHIGDXJFX-IWSPIJDZSA-N -1 1 257.301 1.257 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001593590570 1174158254 /nfs/dbraw/zinc/15/82/54/1174158254.db2.gz YMGSTEHIGDXJFX-IWSPIJDZSA-N -1 1 257.301 1.257 20 0 CDADMM c1nc(N2CCC[C@@H](C3CCC3)C2)cnc1-c1nnn[n-]1 ZINC001593591032 1174159664 /nfs/dbraw/zinc/15/96/64/1174159664.db2.gz JGHGTJPSJZNUHU-LLVKDONJSA-N -1 1 285.355 1.673 20 0 CDADMM c1nc(N2CCC[C@@H](C3CCC3)C2)cnc1-c1nn[n-]n1 ZINC001593591032 1174159669 /nfs/dbraw/zinc/15/96/69/1174159669.db2.gz JGHGTJPSJZNUHU-LLVKDONJSA-N -1 1 285.355 1.673 20 0 CDADMM c1nc(N2CC3(C2)CCCC3)cnc1-c1nnn[n-]1 ZINC001593591926 1174160041 /nfs/dbraw/zinc/16/00/41/1174160041.db2.gz WCYUSFAUMKKDGN-UHFFFAOYSA-N -1 1 257.301 1.037 20 0 CDADMM c1nc(N2CC3(C2)CCCC3)cnc1-c1nn[n-]n1 ZINC001593591926 1174160044 /nfs/dbraw/zinc/16/00/44/1174160044.db2.gz WCYUSFAUMKKDGN-UHFFFAOYSA-N -1 1 257.301 1.037 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NC[C@@H]2CCC3(CCC3)O2)n1 ZINC001593594506 1174162466 /nfs/dbraw/zinc/16/24/66/1174162466.db2.gz CWZIZSIDLNZEDW-VIFPVBQESA-N -1 1 287.327 1.170 20 0 CDADMM c1ncc(N2CCC[C@@H]2C2CCCC2)nc1-c1nnn[n-]1 ZINC001593593809 1174162781 /nfs/dbraw/zinc/16/27/81/1174162781.db2.gz UVGMUXPZEANZEQ-GFCCVEGCSA-N -1 1 285.355 1.816 20 0 CDADMM c1ncc(N2CCC[C@@H]2C2CCCC2)nc1-c1nn[n-]n1 ZINC001593593809 1174162783 /nfs/dbraw/zinc/16/27/83/1174162783.db2.gz UVGMUXPZEANZEQ-GFCCVEGCSA-N -1 1 285.355 1.816 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NCC[C@@H]1CCSC1 ZINC001593594958 1174163969 /nfs/dbraw/zinc/16/39/69/1174163969.db2.gz KGJHWQXOTFFPFY-MRVPVSSYSA-N -1 1 277.357 1.212 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NCC[C@@H]1CCSC1 ZINC001593594958 1174163979 /nfs/dbraw/zinc/16/39/79/1174163979.db2.gz KGJHWQXOTFFPFY-MRVPVSSYSA-N -1 1 277.357 1.212 20 0 CDADMM c1sc(CSCC[C@@H]2CCOC2)nc1-c1nnn[n-]1 ZINC001593595438 1174165360 /nfs/dbraw/zinc/16/53/60/1174165360.db2.gz UCUWLAFLCWHULR-QMMMGPOBSA-N -1 1 297.409 1.983 20 0 CDADMM c1sc(CSCC[C@@H]2CCOC2)nc1-c1nn[n-]n1 ZINC001593595438 1174165365 /nfs/dbraw/zinc/16/53/65/1174165365.db2.gz UCUWLAFLCWHULR-QMMMGPOBSA-N -1 1 297.409 1.983 20 0 CDADMM Cc1c(C(=O)[O-])cc(CNCc2cncc(O)c2)n1C ZINC001599994361 1174334563 /nfs/dbraw/zinc/33/45/63/1174334563.db2.gz WFWOYDBQDSEAGN-UHFFFAOYSA-N -1 1 275.308 1.422 20 0 CDADMM Cc1cc(CN2CCCOC[C@H]2C)[nH]c1C(=O)[O-] ZINC001600197194 1174401653 /nfs/dbraw/zinc/40/16/53/1174401653.db2.gz YKPUMWRZMJMBFY-SNVBAGLBSA-N -1 1 252.314 1.632 20 0 CDADMM Cc1ccc2nc(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)[nH]c2c1 ZINC001600488468 1174489305 /nfs/dbraw/zinc/48/93/05/1174489305.db2.gz INIWIGBYMHYMQZ-MNOVXSKESA-N -1 1 289.291 1.442 20 0 CDADMM Cc1cccc(NC(=O)[C@@H](C)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1 ZINC001600540534 1174500672 /nfs/dbraw/zinc/50/06/72/1174500672.db2.gz KYZZBKHUTAKNLX-ZZVYKPCYSA-N -1 1 288.347 1.584 20 0 CDADMM CN(c1cnc(-c2nnn[n-]2)cn1)C1CCCCCC1 ZINC000095295457 1174520774 /nfs/dbraw/zinc/52/07/74/1174520774.db2.gz KROLSPZAIXEDHN-UHFFFAOYSA-N -1 1 273.344 1.816 20 0 CDADMM CN(c1cnc(-c2nn[n-]n2)cn1)C1CCCCCC1 ZINC000095295457 1174520779 /nfs/dbraw/zinc/52/07/79/1174520779.db2.gz KROLSPZAIXEDHN-UHFFFAOYSA-N -1 1 273.344 1.816 20 0 CDADMM Cc1[nH+]c(N2CC[C@](C)(C(=O)[O-])C2)ccc1C(=O)[O-] ZINC001600708171 1174575210 /nfs/dbraw/zinc/57/52/10/1174575210.db2.gz HKIQYSLNPFWWBI-ZDUSSCGKSA-N -1 1 264.281 1.389 20 0 CDADMM Cc1nc2ccc(NC(=O)c3cc(C(=O)[O-])on3)cc2[nH]1 ZINC001600725870 1174580504 /nfs/dbraw/zinc/58/05/04/1174580504.db2.gz WQZXOIMUJCSOAC-UHFFFAOYSA-N -1 1 286.247 1.810 20 0 CDADMM Cc1nccc(N2CC[C@](O)(C(=O)[O-])C2)c1Cl ZINC001600751037 1174590458 /nfs/dbraw/zinc/59/04/58/1174590458.db2.gz RCINWWZUCHDPAA-LLVKDONJSA-N -1 1 256.689 1.069 20 0 CDADMM Cc1nc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])s2)n[nH]1 ZINC001600791665 1174612482 /nfs/dbraw/zinc/61/24/82/1174612482.db2.gz AUHQWLPRJDDXGU-RXMQYKEDSA-N -1 1 295.324 1.756 20 0 CDADMM Cn1ccc(CN2CC[C@H](C(=O)[O-])C[C@@H]2[C@@H]2CCCO2)n1 ZINC001600976353 1174689246 /nfs/dbraw/zinc/68/92/46/1174689246.db2.gz OWVKUUUBJSQMBV-YUTCNCBUSA-N -1 1 293.367 1.264 20 0 CDADMM Cn1nc(C(=O)[O-])cc1NC(=O)c1cccc2c[nH]nc21 ZINC001601007016 1174700318 /nfs/dbraw/zinc/70/03/18/1174700318.db2.gz QWMYDLCWGBWQFC-UHFFFAOYSA-N -1 1 285.263 1.247 20 0 CDADMM CCOc1ncc(Br)cc1[N-]S(C)(=O)=O ZINC000114721074 1174900464 /nfs/dbraw/zinc/90/04/64/1174900464.db2.gz ZYGIXXDYNYYXRQ-UHFFFAOYSA-N -1 1 295.158 1.614 20 0 CDADMM O=C([O-])[C@H](CF)NC(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC001601643305 1174924895 /nfs/dbraw/zinc/92/48/95/1174924895.db2.gz AQEORUHLVGZXQZ-QMMMGPOBSA-N -1 1 297.179 1.596 20 0 CDADMM O=C([O-])[C@@H]1CC12CCN(Cc1nccn1CC(F)F)CC2 ZINC001601774775 1175000362 /nfs/dbraw/zinc/00/03/62/1175000362.db2.gz NBSFLROLBIRRHT-JTQLQIEISA-N -1 1 299.321 1.835 20 0 CDADMM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(CCCC2CCC2)CC1 ZINC001601778098 1175004297 /nfs/dbraw/zinc/00/42/97/1175004297.db2.gz KCOHWSMLWOJMLF-KBPBESRZSA-N -1 1 294.395 1.432 20 0 CDADMM O=C([O-])C[C@@H](NC(=O)CCc1cnc[nH]1)c1ccncc1 ZINC001601898654 1175057179 /nfs/dbraw/zinc/05/71/79/1175057179.db2.gz UCNTWQXVKGCLOO-GFCCVEGCSA-N -1 1 288.307 1.070 20 0 CDADMM O=C([O-])C[C@@H]1CCCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC001601949794 1175082802 /nfs/dbraw/zinc/08/28/02/1175082802.db2.gz IWXCQLLYYRXMKV-JTQLQIEISA-N -1 1 255.314 1.571 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2ccc3nc[nH]c3c2)on1 ZINC001602247973 1175180138 /nfs/dbraw/zinc/18/01/38/1175180138.db2.gz QSAOKTJPKUPFJY-UHFFFAOYSA-N -1 1 272.220 1.501 20 0 CDADMM O=C([O-])c1ccc2nc(SCCc3c[nH]nn3)oc2c1 ZINC001602428807 1175236503 /nfs/dbraw/zinc/23/65/03/1175236503.db2.gz GJAKQONAMRDMFI-UHFFFAOYSA-N -1 1 290.304 1.979 20 0 CDADMM O=C([O-])c1csc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c1 ZINC001602561281 1175290730 /nfs/dbraw/zinc/29/07/30/1175290730.db2.gz RODLNFFDNCDPNA-JTQLQIEISA-N -1 1 253.323 1.403 20 0 CDADMM O=C([O-])c1coc(CN[C@H]2CCC3(C[C@@H]2F)OCCO3)c1 ZINC001602555162 1175293973 /nfs/dbraw/zinc/29/39/73/1175293973.db2.gz DCXZIXMVKXBYMO-RYUDHWBXSA-N -1 1 299.298 1.701 20 0 CDADMM O=C([O-])c1ncn(CN2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC001602580226 1175305915 /nfs/dbraw/zinc/30/59/15/1175305915.db2.gz NISJUECYDKIWDO-GHMZBOCLSA-N -1 1 264.329 1.446 20 0 CDADMM O=C([O-])c1occc1CN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC001602589753 1175310623 /nfs/dbraw/zinc/31/06/23/1175310623.db2.gz KJOZNSCIILWKDA-GFCCVEGCSA-N -1 1 298.302 1.975 20 0 CDADMM CC(C)(C)O[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000126376654 1175459305 /nfs/dbraw/zinc/45/93/05/1175459305.db2.gz YHJHJNRMABGZPB-SNVBAGLBSA-N -1 1 280.324 1.474 20 0 CDADMM C/C(=C\COC(=O)Cc1n[nH]c2c1CCCC2)C(=O)[O-] ZINC001602979212 1175470403 /nfs/dbraw/zinc/47/04/03/1175470403.db2.gz BKQIIJCUUGHSEX-RMKNXTFCSA-N -1 1 278.308 1.405 20 0 CDADMM CC(C(=O)Nc1c[nH]nc1-c1nn[n-]n1)=C1CCC1 ZINC001603030236 1175478018 /nfs/dbraw/zinc/47/80/18/1175478018.db2.gz VZEIOUGLBQPHHY-UHFFFAOYSA-N -1 1 259.273 1.029 20 0 CDADMM CC(C)(C(=O)Cn1ccnc1-c1nnn[n-]1)c1ccccc1 ZINC001603034824 1175479730 /nfs/dbraw/zinc/47/97/30/1175479730.db2.gz TUVGLHMWJJHJSL-UHFFFAOYSA-N -1 1 296.334 1.610 20 0 CDADMM CC(C)(C(=O)Cn1ccnc1-c1nn[n-]n1)c1ccccc1 ZINC001603034824 1175479735 /nfs/dbraw/zinc/47/97/35/1175479735.db2.gz TUVGLHMWJJHJSL-UHFFFAOYSA-N -1 1 296.334 1.610 20 0 CDADMM CC(C)(C)C1CN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001603067720 1175484128 /nfs/dbraw/zinc/48/41/28/1175484128.db2.gz PJKQHENQGWAAES-UHFFFAOYSA-N -1 1 258.329 1.744 20 0 CDADMM CC(C)(C)C1CN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001603067720 1175484133 /nfs/dbraw/zinc/48/41/33/1175484133.db2.gz PJKQHENQGWAAES-UHFFFAOYSA-N -1 1 258.329 1.744 20 0 CDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(F)F)n1 ZINC001603128203 1175496292 /nfs/dbraw/zinc/49/62/92/1175496292.db2.gz LAWFOCNOPDOKSR-UHFFFAOYSA-N -1 1 285.258 1.022 20 0 CDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(F)F)n1 ZINC001603128203 1175496296 /nfs/dbraw/zinc/49/62/96/1175496296.db2.gz LAWFOCNOPDOKSR-UHFFFAOYSA-N -1 1 285.258 1.022 20 0 CDADMM C[C@@H](CC(=O)[O-])NC(=O)c1sccc1CN(C)C ZINC001603134696 1175498992 /nfs/dbraw/zinc/49/89/92/1175498992.db2.gz YYWBTVIKUVZPMD-QMMMGPOBSA-N -1 1 270.354 1.403 20 0 CDADMM CC(C)(CO)CCNc1ccnc(-c2nnn[n-]2)c1 ZINC001603152586 1175502581 /nfs/dbraw/zinc/50/25/81/1175502581.db2.gz PGVQMAIXIGUHID-UHFFFAOYSA-N -1 1 262.317 1.082 20 0 CDADMM CC(C)(CO)CCNc1ccnc(-c2nn[n-]n2)c1 ZINC001603152586 1175502584 /nfs/dbraw/zinc/50/25/84/1175502584.db2.gz PGVQMAIXIGUHID-UHFFFAOYSA-N -1 1 262.317 1.082 20 0 CDADMM CC(C)[C@H]1C[C@@H]1C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001603245446 1175525897 /nfs/dbraw/zinc/52/58/97/1175525897.db2.gz ZWGSEWBJUOPQAM-ZJUUUORDSA-N -1 1 276.296 1.795 20 0 CDADMM CC(C)[C@H]1C[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001603245446 1175525900 /nfs/dbraw/zinc/52/59/00/1175525900.db2.gz ZWGSEWBJUOPQAM-ZJUUUORDSA-N -1 1 276.296 1.795 20 0 CDADMM CC(C)C[C@@H](CO)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603304228 1175535157 /nfs/dbraw/zinc/53/51/57/1175535157.db2.gz KGEBQRZVGQRPGC-VIFPVBQESA-N -1 1 295.368 1.065 20 0 CDADMM CC(C)c1c[nH]c(Sc2nnccc2-c2nn[n-]n2)n1 ZINC001603391522 1175551017 /nfs/dbraw/zinc/55/10/17/1175551017.db2.gz SKEQJGGQHASSDZ-UHFFFAOYSA-N -1 1 288.340 1.654 20 0 CDADMM C[C@H](C1CC1)n1cc(Nc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001603435784 1175554378 /nfs/dbraw/zinc/55/43/78/1175554378.db2.gz AUKXUXFMRMWPSC-MRVPVSSYSA-N -1 1 297.326 1.568 20 0 CDADMM C[C@H](C1CC1)n1cc(Nc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001603435784 1175554384 /nfs/dbraw/zinc/55/43/84/1175554384.db2.gz AUKXUXFMRMWPSC-MRVPVSSYSA-N -1 1 297.326 1.568 20 0 CDADMM CC(F)(F)CCCNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001603595186 1175574810 /nfs/dbraw/zinc/57/48/10/1175574810.db2.gz KZZOSNPYNBMKQE-UHFFFAOYSA-N -1 1 296.281 1.427 20 0 CDADMM CC(F)(F)CCCNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001603595186 1175574814 /nfs/dbraw/zinc/57/48/14/1175574814.db2.gz KZZOSNPYNBMKQE-UHFFFAOYSA-N -1 1 296.281 1.427 20 0 CDADMM CC(C)(F)CNCc1ccccc1OCC(=O)[O-] ZINC001603666920 1175591944 /nfs/dbraw/zinc/59/19/44/1175591944.db2.gz AEFLPKFRESZWCI-UHFFFAOYSA-N -1 1 255.289 1.988 20 0 CDADMM C[C@](O)(CC(=O)OCc1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC001603689940 1175599211 /nfs/dbraw/zinc/59/92/11/1175599211.db2.gz DEWTZXWLEQXEKL-ZDUSSCGKSA-N -1 1 292.295 1.054 20 0 CDADMM C[C@](O)(CC(=O)OCc1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC001603689940 1175599216 /nfs/dbraw/zinc/59/92/16/1175599216.db2.gz DEWTZXWLEQXEKL-ZDUSSCGKSA-N -1 1 292.295 1.054 20 0 CDADMM C[C@@H]1CCC(=O)CN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001603872656 1175663965 /nfs/dbraw/zinc/66/39/65/1175663965.db2.gz IGRDHVFYHMYRCO-MRVPVSSYSA-N -1 1 277.353 1.482 20 0 CDADMM C[C@@H]1CCc2[n-]n(-c3ccc(-c4nn[nH]n4)cc3)c(=O)c21 ZINC001603880711 1175668785 /nfs/dbraw/zinc/66/87/85/1175668785.db2.gz GXKQDZQZQCNFDP-PELKAZGASA-N -1 1 282.307 1.615 20 0 CDADMM C[C@H]1CCC[C@H](Cn2cncc(-c3nn[n-]n3)c2=O)C1 ZINC001603886585 1175670178 /nfs/dbraw/zinc/67/01/78/1175670178.db2.gz MXPBQVBXTLYGEK-UWVGGRQHSA-N -1 1 274.328 1.250 20 0 CDADMM C[C@H]1CN(C(=O)c2csc(-c3nn[n-]n3)c2)[C@@H](C)CO1 ZINC001603926846 1175687961 /nfs/dbraw/zinc/68/79/61/1175687961.db2.gz FIDHHURFAOZHIC-YUMQZZPRSA-N -1 1 293.352 1.178 20 0 CDADMM CCC(CC)[C@@H](C)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001604022313 1175723354 /nfs/dbraw/zinc/72/33/54/1175723354.db2.gz CKQNDIYCKRRBQP-SSDOTTSWSA-N -1 1 277.332 1.601 20 0 CDADMM CCC(CC)[C@@H](C)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001604022313 1175723358 /nfs/dbraw/zinc/72/33/58/1175723358.db2.gz CKQNDIYCKRRBQP-SSDOTTSWSA-N -1 1 277.332 1.601 20 0 CDADMM CCC(O)(CC)CCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604066419 1175746427 /nfs/dbraw/zinc/74/64/27/1175746427.db2.gz UJDDJJRLFFDYOY-UHFFFAOYSA-N -1 1 293.327 1.131 20 0 CDADMM CCC(O)(CC)CCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001604066419 1175746436 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/nfs/dbraw/zinc/67/09/16/943670916.db2.gz NVMHUCBAQWGROX-UHFFFAOYSA-N -1 1 269.264 1.816 20 0 CDADMM CCCc1[n-]n(CCN2CCOCC2)c(=O)c1CC ZINC001332275524 943714363 /nfs/dbraw/zinc/71/43/63/943714363.db2.gz AAJOGZRABPZPII-GFCCVEGCSA-N -1 1 267.373 1.343 20 0 CDADMM Cc1nc(C(N)=O)c(O[C@@H](C)c2ccccc2)c(=O)[n-]1 ZINC001234471078 943855468 /nfs/dbraw/zinc/85/54/68/943855468.db2.gz BDFMRLYRBSVJLW-QMMMGPOBSA-N -1 1 273.292 1.730 20 0 CDADMM Cc1nc(C(N)=O)c(O[C@@H](C)c2ccccc2F)c(=O)[n-]1 ZINC001234470345 943856033 /nfs/dbraw/zinc/85/60/33/943856033.db2.gz QWASQNMCQLDHKM-ZETCQYMHSA-N -1 1 291.282 1.869 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1C2CCC1CC2 ZINC001263703882 943943253 /nfs/dbraw/zinc/94/32/53/943943253.db2.gz FBSJBKLBDNFDRO-UHFFFAOYSA-N -1 1 265.338 1.546 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H]1CCCSC1 ZINC001263795306 943975622 /nfs/dbraw/zinc/97/56/22/943975622.db2.gz SFQKEARCOIOSOB-SSDOTTSWSA-N -1 1 285.394 1.405 20 0 CDADMM CCCCCCO[C@@H](C)C(=O)N1CC[C@H](c2nn[n-]n2)C1 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ZINC001259072510 945478122 /nfs/dbraw/zinc/47/81/22/945478122.db2.gz AYTBGGNQBXCDIH-UHFFFAOYSA-N -1 1 299.302 1.542 20 0 CDADMM O=S(=O)([N-]c1cccnc1OC(F)F)C1CC1 ZINC001259270851 945524132 /nfs/dbraw/zinc/52/41/32/945524132.db2.gz OHZFAOCXYANMCL-UHFFFAOYSA-N -1 1 264.253 1.587 20 0 CDADMM Cc1ncn(C)c1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC001259485567 945581224 /nfs/dbraw/zinc/58/12/24/945581224.db2.gz VXQMBBPYEOAGKP-UHFFFAOYSA-N -1 1 283.328 1.977 20 0 CDADMM CNC(=O)c1cccc(-c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001240015705 945665603 /nfs/dbraw/zinc/66/56/03/945665603.db2.gz SGUSHSDRPCUXHS-UHFFFAOYSA-N -1 1 280.291 1.288 20 0 CDADMM CNC(=O)c1cccc(-c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001240015705 945665605 /nfs/dbraw/zinc/66/56/05/945665605.db2.gz SGUSHSDRPCUXHS-UHFFFAOYSA-N -1 1 280.291 1.288 20 0 CDADMM CC(C)CS(=O)(=O)[N-]c1cnc(Br)nc1 ZINC001259878667 945674296 /nfs/dbraw/zinc/67/42/96/945674296.db2.gz NLPJPRVIAYXIPQ-UHFFFAOYSA-N -1 1 294.174 1.637 20 0 CDADMM CC(C)CS(=O)(=O)[N-]c1cnn2c1OCC1(CC1)C2 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ZINC001259972609 945766442 /nfs/dbraw/zinc/76/64/42/945766442.db2.gz NFJRCGOVHUDRST-UHFFFAOYSA-N -1 1 290.728 1.869 20 0 CDADMM O=S(=O)([N-]CCCCO)c1cc(Cl)c(F)cc1F ZINC001260195514 945807894 /nfs/dbraw/zinc/80/78/94/945807894.db2.gz DGZPYCMXZGSEAG-UHFFFAOYSA-N -1 1 299.726 1.669 20 0 CDADMM CC[C@H](C)S(=O)(=O)[N-]c1ncc(Cl)cc1O ZINC001260723796 945861577 /nfs/dbraw/zinc/86/15/77/945861577.db2.gz CRPPOYLHIBOCPT-LURJTMIESA-N -1 1 264.734 1.981 20 0 CDADMM CC[C@H](C)S(=O)(=O)[N-]c1cn(C2CCOCC2)cn1 ZINC001260727717 945871673 /nfs/dbraw/zinc/87/16/73/945871673.db2.gz ZVCXSTVCQNVWMB-JTQLQIEISA-N -1 1 287.385 1.775 20 0 CDADMM CC[C@H](C)S(=O)(=O)[N-]c1ccc(/C=C/C(=O)OC)cn1 ZINC001260727813 945871922 /nfs/dbraw/zinc/87/19/22/945871922.db2.gz BRRIBXZYJMULIB-PCGIRMHASA-N -1 1 298.364 1.808 20 0 CDADMM Cc1cccc2ncc([N-]S(=O)(=O)c3cn[nH]c3)n21 ZINC001260955342 945924061 /nfs/dbraw/zinc/92/40/61/945924061.db2.gz YJNFOKAWJCNKEM-UHFFFAOYSA-N -1 1 277.309 1.167 20 0 CDADMM COC(=O)c1nc2ccc(-c3cnn4cccnc34)[n-]c-2n1 ZINC001240935701 946110626 /nfs/dbraw/zinc/11/06/26/946110626.db2.gz YCVKMZAVIBPWJX-UHFFFAOYSA-N -1 1 294.274 1.454 20 0 CDADMM COC(=O)c1nc2ccc(-c3cnn4cccnc34)nc2[n-]1 ZINC001240935701 946110638 /nfs/dbraw/zinc/11/06/38/946110638.db2.gz YCVKMZAVIBPWJX-UHFFFAOYSA-N -1 1 294.274 1.454 20 0 CDADMM CCOC(=O)C(C)(C)O[N-]C(=O)C[C@H](OCC)C(C)C ZINC001261741257 946256361 /nfs/dbraw/zinc/25/63/61/946256361.db2.gz IGOIWQRKGQBZTL-NSHDSACASA-N -1 1 289.372 1.827 20 0 CDADMM Cc1cc2c(c(-c3ccc(N)cc3)n1)C(=O)[N-]C2=O ZINC001241539417 946332316 /nfs/dbraw/zinc/33/23/16/946332316.db2.gz WMNAYOFZVRGWJC-UHFFFAOYSA-N -1 1 253.261 1.523 20 0 CDADMM CN1CCN(c2cccc(-c3cncc(C(=O)[O-])c3)n2)CC1 ZINC001241800147 946473068 /nfs/dbraw/zinc/47/30/68/946473068.db2.gz NUMDRYBRWQOGBH-UHFFFAOYSA-N -1 1 298.346 1.594 20 0 CDADMM Cn1c(Cl)nc(Cl)c1CN[C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC001262163148 946481511 /nfs/dbraw/zinc/48/15/11/946481511.db2.gz JAGGGCJGVUWKFZ-NKWVEPMBSA-N -1 1 290.150 1.846 20 0 CDADMM O=C1Cc2cc(-c3cncc(CO)c3)ccc2C(=O)[N-]1 ZINC001242972762 946962049 /nfs/dbraw/zinc/96/20/49/946962049.db2.gz DKUUHXXTNJKIAK-UHFFFAOYSA-N -1 1 268.272 1.053 20 0 CDADMM COc1ccc(CO)cc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001243172858 947046236 /nfs/dbraw/zinc/04/62/36/947046236.db2.gz ZYAQLSOHIDJKHR-UHFFFAOYSA-N -1 1 283.291 1.430 20 0 CDADMM COc1ccc(CO)cc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001243172858 947046254 /nfs/dbraw/zinc/04/62/54/947046254.db2.gz ZYAQLSOHIDJKHR-UHFFFAOYSA-N -1 1 283.291 1.430 20 0 CDADMM NCc1ncc(-c2ccc(C(=O)[O-])c(F)c2F)cn1 ZINC001243515903 947136186 /nfs/dbraw/zinc/13/61/86/947136186.db2.gz ZGAQKCBJBRBAIE-UHFFFAOYSA-N -1 1 265.219 1.579 20 0 CDADMM CCOc1ccc(C(=O)[O-])cc1-c1cnc(CN)nc1 ZINC001244420760 947387607 /nfs/dbraw/zinc/38/76/07/947387607.db2.gz MISTUFHVTLZTCO-UHFFFAOYSA-N -1 1 273.292 1.699 20 0 CDADMM Cc1cc2c(c(-c3cc(O)ccc3C)n1)C(=O)[N-]C2=O ZINC001244447557 947392901 /nfs/dbraw/zinc/39/29/01/947392901.db2.gz QTZYDXHRXCRMCP-UHFFFAOYSA-N -1 1 268.272 1.955 20 0 CDADMM Clc1cccc(Cc2nnc(Cc3nnn[n-]3)o2)c1 ZINC001254430251 947442171 /nfs/dbraw/zinc/44/21/71/947442171.db2.gz UDNZPOBGMCNXOV-UHFFFAOYSA-N -1 1 276.687 1.418 20 0 CDADMM Clc1cccc(Cc2nnc(Cc3nn[n-]n3)o2)c1 ZINC001254430251 947442177 /nfs/dbraw/zinc/44/21/77/947442177.db2.gz UDNZPOBGMCNXOV-UHFFFAOYSA-N -1 1 276.687 1.418 20 0 CDADMM COc1ncc(-c2ccc(N)cn2)cc1[N-]S(C)(=O)=O ZINC001244788852 947474571 /nfs/dbraw/zinc/47/45/71/947474571.db2.gz CENXZOBRCWDDPB-UHFFFAOYSA-N -1 1 294.336 1.106 20 0 CDADMM COc1ccc(-c2nc(C)cc3c2C(=O)[N-]C3=O)cc1N ZINC001244893607 947510724 /nfs/dbraw/zinc/51/07/24/947510724.db2.gz ZFHDLOMXAZKNGN-UHFFFAOYSA-N -1 1 283.287 1.531 20 0 CDADMM COc1cnc(F)c(-c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001245061144 947544107 /nfs/dbraw/zinc/54/41/07/947544107.db2.gz AORYPKKMECLGAE-UHFFFAOYSA-N -1 1 272.243 1.471 20 0 CDADMM COc1cnc(F)c(-c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001245061144 947544116 /nfs/dbraw/zinc/54/41/16/947544116.db2.gz AORYPKKMECLGAE-UHFFFAOYSA-N -1 1 272.243 1.471 20 0 CDADMM C=COc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001573350615 947599258 /nfs/dbraw/zinc/59/92/58/947599258.db2.gz HPTQSJLXDNSTAH-UHFFFAOYSA-N -1 1 281.279 1.923 20 0 CDADMM C=COc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001573350615 947599260 /nfs/dbraw/zinc/59/92/60/947599260.db2.gz HPTQSJLXDNSTAH-UHFFFAOYSA-N -1 1 281.279 1.923 20 0 CDADMM O=C1[N-]S(=O)(=O)c2cc(-c3ccc4cncn4c3)ccc21 ZINC001245896223 947834546 /nfs/dbraw/zinc/83/45/46/947834546.db2.gz NCTGTJGXZPXCHI-UHFFFAOYSA-N -1 1 299.311 1.433 20 0 CDADMM Cc1ccc(NC(=O)c2ccc(O)cc2[O-])c(C(N)=O)c1 ZINC001362604954 971449380 /nfs/dbraw/zinc/44/93/80/971449380.db2.gz ODRDXEDVDSSKBG-UHFFFAOYSA-N -1 1 286.287 1.757 20 0 CDADMM C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)c1ccc(F)c([O-])c1 ZINC001362623642 971467604 /nfs/dbraw/zinc/46/76/04/971467604.db2.gz HRSSOMWIRSVGDL-KXUCPTDWSA-N -1 1 294.326 1.611 20 0 CDADMM CCC(CC)(NC(=O)c1occ2c1CCC2)c1nn[n-]n1 ZINC001362624643 971468013 /nfs/dbraw/zinc/46/80/13/971468013.db2.gz LWIXUDFSEVKMTM-UHFFFAOYSA-N -1 1 289.339 1.727 20 0 CDADMM CCC(CC)(NC(=O)c1ccc(NC)nc1)c1nn[n-]n1 ZINC001362626997 971471908 /nfs/dbraw/zinc/47/19/08/971471908.db2.gz WANYWJMKOKLJEX-UHFFFAOYSA-N -1 1 289.343 1.082 20 0 CDADMM Cc1cccc(NC(=O)CNC(C)(C)C(=O)[O-])c1C ZINC000087626029 949096248 /nfs/dbraw/zinc/09/62/48/949096248.db2.gz GPRSFDZRLMHTDC-UHFFFAOYSA-N -1 1 264.325 1.695 20 0 CDADMM C[C@@H](c1ccccc1F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575515310 949184121 /nfs/dbraw/zinc/18/41/21/949184121.db2.gz HOVQCKUTFXSFNT-VIFPVBQESA-N -1 1 299.313 1.993 20 0 CDADMM C[C@@H](C(=O)[O-])C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC001602808797 971596199 /nfs/dbraw/zinc/59/61/99/971596199.db2.gz FAYTUZCOOLTZHB-RXMQYKEDSA-N -1 1 251.217 1.361 20 0 CDADMM C[C@H](C(=O)[O-])C(=O)Nc1ccccc1Nc1ccncc1 ZINC001602810654 971600890 /nfs/dbraw/zinc/60/08/90/971600890.db2.gz QSXIZQRBGWLRMH-JTQLQIEISA-N -1 1 285.303 1.906 20 0 CDADMM O=C([O-])c1cnc(C(=O)Nc2n[nH]c3cc(O)ccc32)cn1 ZINC001595268422 949792345 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1.777 20 0 CDADMM CC[C@H]1CCC[N@H+]1CC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000736940061 575773668 /nfs/dbraw/zinc/77/36/68/575773668.db2.gz QXFCKMJRRLTXKA-NWDGAFQWSA-N -1 1 270.373 1.476 20 0 CDADMM CO[C@@H](C)CCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736959361 575777273 /nfs/dbraw/zinc/77/72/73/575777273.db2.gz BMAZDOHVMCTMAD-VIFPVBQESA-N -1 1 299.338 1.647 20 0 CDADMM CO[C@@H](C)CCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736959361 575777274 /nfs/dbraw/zinc/77/72/74/575777274.db2.gz BMAZDOHVMCTMAD-VIFPVBQESA-N -1 1 299.338 1.647 20 0 CDADMM O=C(N[C@H](CCO)C1CC1)c1c([O-])cccc1F ZINC000773369954 575804899 /nfs/dbraw/zinc/80/48/99/575804899.db2.gz KFHZDLSWFVQNOJ-SNVBAGLBSA-N -1 1 253.273 1.422 20 0 CDADMM NC(=O)c1cccc(COC(=O)c2ccc([O-])cc2F)c1 ZINC000773566911 575826580 /nfs/dbraw/zinc/82/65/80/575826580.db2.gz QDQZLYADVXGMQN-UHFFFAOYSA-N -1 1 289.262 1.987 20 0 CDADMM CN(C)[C@H](CNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccsc1 ZINC000737357852 575946170 /nfs/dbraw/zinc/94/61/70/575946170.db2.gz 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/nfs/dbraw/zinc/05/01/96/576050196.db2.gz QBRWRTJWEPYESM-UHFFFAOYSA-N -1 1 294.336 1.512 20 0 CDADMM O=C(c1cccc(F)c1F)N1CCC(c2nn[n-]n2)CC1 ZINC000738273952 576055326 /nfs/dbraw/zinc/05/53/26/576055326.db2.gz PKAWFTYXFIBFQW-UHFFFAOYSA-N -1 1 293.277 1.498 20 0 CDADMM CCC(CC)N1C[C@H](C(=O)[N-]OCC(F)(F)F)CC1=O ZINC000766761462 576132503 /nfs/dbraw/zinc/13/25/03/576132503.db2.gz GRGLNGPZAHKIEK-MRVPVSSYSA-N -1 1 296.289 1.634 20 0 CDADMM CCC(CC)N1C[C@@H](C(=O)[N-]OCC(F)(F)F)CC1=O ZINC000766761465 576132535 /nfs/dbraw/zinc/13/25/35/576132535.db2.gz GRGLNGPZAHKIEK-QMMMGPOBSA-N -1 1 296.289 1.634 20 0 CDADMM Nc1nc(CN2CCC[C@@H](C(=O)[O-])C2)nc2ccccc12 ZINC000739204314 576182920 /nfs/dbraw/zinc/18/29/20/576182920.db2.gz ZEESPRYVDYFSRL-SNVBAGLBSA-N -1 1 286.335 1.509 20 0 CDADMM O=C([O-])CCCc1nnc(NC(=O)c2csnn2)s1 ZINC000739710808 576283472 /nfs/dbraw/zinc/28/34/72/576283472.db2.gz JDQKNALAHCXTLM-UHFFFAOYSA-N -1 1 299.337 1.049 20 0 CDADMM O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1cc(=O)[nH][n-]1 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Cc1nnc([N-]C(=O)c2cc3n[nH]nc3cc2F)s1 ZINC000753798852 576859717 /nfs/dbraw/zinc/85/97/17/576859717.db2.gz LOCWLPZZJVCWJF-UHFFFAOYSA-N -1 1 278.272 1.509 20 0 CDADMM C[C@H]([N-]C(=O)C(F)(F)C(F)F)C(=O)N1CCCC[C@H]1C ZINC000749389124 576946271 /nfs/dbraw/zinc/94/62/71/576946271.db2.gz HZULLTRMKOWCSH-SFYZADRCSA-N -1 1 298.280 1.793 20 0 CDADMM CCCC(=O)N1CCC[C@@H](C(=O)[N-]O[C@H]2CCCCO2)C1 ZINC000749617379 576955688 /nfs/dbraw/zinc/95/56/88/576955688.db2.gz KGCRUBGJMSUWHV-OCCSQVGLSA-N -1 1 298.383 1.600 20 0 CDADMM CC(=Cc1ccccc1Cl)C(=O)NCc1nn[n-]n1 ZINC000755881096 576965655 /nfs/dbraw/zinc/96/56/55/576965655.db2.gz FFKSODUNAAAMCA-SOFGYWHQSA-N -1 1 277.715 1.573 20 0 CDADMM C[N-]S(=O)(=O)c1cc(C(=O)OCCC2CC2)co1 ZINC000756403325 576989223 /nfs/dbraw/zinc/98/92/23/576989223.db2.gz TWOZNJJTPJUGSJ-UHFFFAOYSA-N -1 1 273.310 1.145 20 0 CDADMM O=C(NC[C@H](O)c1ccncc1)c1c([O-])cccc1Cl ZINC000750539800 576994830 /nfs/dbraw/zinc/99/48/30/576994830.db2.gz WJTCCVGKLVFWNR-LBPRGKRZSA-N -1 1 292.722 1.904 20 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258.329 1.744 20 0 CDADMM CC(C)[C@@H](CCO)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820021379 599057642 /nfs/dbraw/zinc/05/76/42/599057642.db2.gz SXFDGXBHZFFPAK-SECBINFHSA-N -1 1 296.762 1.734 20 0 CDADMM CC(C)[C@@H](CCO)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820021379 599057648 /nfs/dbraw/zinc/05/76/48/599057648.db2.gz SXFDGXBHZFFPAK-SECBINFHSA-N -1 1 296.762 1.734 20 0 CDADMM CCc1nnc([C@@H](C)N2CC[C@@](C)(C(=O)[O-])C2)o1 ZINC000830335025 601943144 /nfs/dbraw/zinc/94/31/44/601943144.db2.gz IERYDMFJPFZFRL-PRHODGIISA-N -1 1 253.302 1.490 20 0 CDADMM O=C([O-])c1ccc(CN2CCC[C@@H](CO)[C@H]2CO)c(F)c1 ZINC001602337236 1175211385 /nfs/dbraw/zinc/21/13/85/1175211385.db2.gz YWMHVAAFBJWVMI-GXTWGEPZSA-N -1 1 297.326 1.089 20 0 CDADMM COC(=O)c1cccc(-n2[n-]c(C)c(F)c2=O)c1C ZINC000871964395 620638398 /nfs/dbraw/zinc/63/83/98/620638398.db2.gz XTXKDPQCYKADCX-NSHDSACASA-N -1 1 264.256 1.842 20 0 CDADMM CNC(=O)c1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000821636364 607310722 /nfs/dbraw/zinc/31/07/22/607310722.db2.gz 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/nfs/dbraw/zinc/18/92/48/598189248.db2.gz GKGSOXUPPJLRFQ-NTZNESFSSA-N -1 1 270.373 1.380 20 0 CDADMM Oc1ccc(CCNc2nccnc2-c2nnn[n-]2)cc1 ZINC000095146254 598346363 /nfs/dbraw/zinc/34/63/63/598346363.db2.gz AAIJMHIPTLIAGN-UHFFFAOYSA-N -1 1 283.295 1.017 20 0 CDADMM Oc1ccc(CCNc2nccnc2-c2nn[n-]n2)cc1 ZINC000095146254 598346365 /nfs/dbraw/zinc/34/63/65/598346365.db2.gz AAIJMHIPTLIAGN-UHFFFAOYSA-N -1 1 283.295 1.017 20 0 CDADMM Cc1nn(C)c(C)c1CNc1cccc(-c2nnn[n-]2)n1 ZINC000822492503 599512001 /nfs/dbraw/zinc/51/20/01/599512001.db2.gz ZBPOLNSSVUHOAY-UHFFFAOYSA-N -1 1 284.327 1.224 20 0 CDADMM Cc1nn(C)c(C)c1CNc1cccc(-c2nn[n-]n2)n1 ZINC000822492503 599512003 /nfs/dbraw/zinc/51/20/03/599512003.db2.gz ZBPOLNSSVUHOAY-UHFFFAOYSA-N -1 1 284.327 1.224 20 0 CDADMM O=C([O-])c1cnc(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)s1 ZINC001602520257 1175269223 /nfs/dbraw/zinc/26/92/23/1175269223.db2.gz JGAZJUVMZPMUIV-MXWKQRLJSA-N -1 1 296.392 1.967 20 0 CDADMM Fc1cccc(OC[C@@H]2CCCCO2)c1-c1nn[n-]n1 ZINC000826377826 607864687 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CC[C@@H](C)[C@@H](NC(=O)CN1CCC(C(C)C)CC1)C(=O)[O-] ZINC000828716449 600834488 /nfs/dbraw/zinc/83/44/88/600834488.db2.gz GVVJLYUXMSDZJQ-IUODEOHRSA-N -1 1 298.427 1.970 20 0 CDADMM CC(C)N1CCN([C@@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000826966026 600985650 /nfs/dbraw/zinc/98/56/50/600985650.db2.gz JEYSHPASYFCEMU-CQSZACIVSA-N -1 1 280.343 1.977 20 0 CDADMM CCN(C(=O)CN[C@](C)(C(=O)[O-])C1CC1)c1ccccc1 ZINC000829597614 601034137 /nfs/dbraw/zinc/03/41/37/601034137.db2.gz RSYQOQLMHLKMQS-INIZCTEOSA-N -1 1 290.363 1.882 20 0 CDADMM CN(CCOc1cccc(C(=O)[O-])c1)Cc1nnc[nH]1 ZINC000830795523 601040859 /nfs/dbraw/zinc/04/08/59/601040859.db2.gz WNXGYPPHAKYSQP-UHFFFAOYSA-N -1 1 276.296 1.014 20 0 CDADMM Cn1cccc1C(=O)CN(CCC(=O)[O-])C1CCOCC1 ZINC000833056679 601048913 /nfs/dbraw/zinc/04/89/13/601048913.db2.gz XZQUADCDKANEMO-UHFFFAOYSA-N -1 1 294.351 1.164 20 0 CDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)/C=C\c2ccco2)CC1 ZINC000827355618 601095810 /nfs/dbraw/zinc/09/58/10/601095810.db2.gz LGVQATQHPUTDKQ-QMAVJUDZSA-N -1 1 292.335 1.300 20 0 CDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccccc2F)CC1 ZINC000827379161 601099174 /nfs/dbraw/zinc/09/91/74/601099174.db2.gz DCHKZGYNQGDJQF-LLVKDONJSA-N -1 1 294.326 1.447 20 0 CDADMM COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C/C=C(/C)C(=O)[O-] ZINC000831100352 601157151 /nfs/dbraw/zinc/15/71/51/601157151.db2.gz NGFBYHGWEWOVQL-PXRMWFBJSA-N -1 1 281.352 1.823 20 0 CDADMM O=C([O-])c1cccc(OCCSc2cn[nH]n2)c1 ZINC000833332890 601350373 /nfs/dbraw/zinc/35/03/73/601350373.db2.gz RCGNYXBALMGUCV-UHFFFAOYSA-N -1 1 265.294 1.674 20 0 CDADMM C/C(=C/COC(=O)c1cc(-c2ccco2)n[nH]1)C(=O)[O-] ZINC000825769199 601414438 /nfs/dbraw/zinc/41/44/38/601414438.db2.gz KNWZPCQSNBRSCX-YWEYNIOJSA-N -1 1 276.248 1.857 20 0 CDADMM O=C([O-])[C@]1(F)CCN(Cc2ccc(-n3ccnc3)cc2)C1 ZINC000833175625 601551334 /nfs/dbraw/zinc/55/13/34/601551334.db2.gz RYVZGSQSSXOKKT-HNNXBMFYSA-N -1 1 289.310 1.871 20 0 CDADMM C[C@@H](C(=O)N[C@@H](C(=O)[O-])C1CC1)N(C)Cc1ccccc1 ZINC000825991161 601595699 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CCC(CC)(NC(=O)[C@@H]1CCCc2[nH]ncc21)C(=O)[O-] ZINC000828824246 602043521 /nfs/dbraw/zinc/04/35/21/602043521.db2.gz DJUOQWQXHJYJDS-SECBINFHSA-N -1 1 279.340 1.589 20 0 CDADMM Cc1cc(CC(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])[nH]n1 ZINC000832883266 602050443 /nfs/dbraw/zinc/05/04/43/602050443.db2.gz JOBRBTBVMBLYHO-OLZOCXBDSA-N -1 1 293.367 1.800 20 0 CDADMM CC[C@H](C)[C@H](NCC(=O)NC1CCCC1)C(=O)[O-] ZINC000820459792 602062703 /nfs/dbraw/zinc/06/27/03/602062703.db2.gz VDRRDKDLVHZLNU-CABZTGNLSA-N -1 1 256.346 1.134 20 0 CDADMM C[C@H](CC(=O)[O-])C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000827279662 602077564 /nfs/dbraw/zinc/07/75/64/602077564.db2.gz GCHXPOMDVCAZRD-ZWNOBZJWSA-N -1 1 296.342 1.655 20 0 CDADMM Cc1oc(C(=O)[O-])cc1COC(=O)CCc1nc[nH]n1 ZINC000833025593 602089274 /nfs/dbraw/zinc/08/92/74/602089274.db2.gz MKFFTSZYSBGOLA-UHFFFAOYSA-N -1 1 279.252 1.080 20 0 CDADMM CC[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1)N(C)C ZINC000828587151 602186603 /nfs/dbraw/zinc/18/66/03/602186603.db2.gz 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CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000824143297 605292937 /nfs/dbraw/zinc/29/29/37/605292937.db2.gz LSTJUZGWFCNNEN-LURJTMIESA-N -1 1 294.233 1.659 20 0 CDADMM CC[C@H](C)[C@H](NC(=O)CN1C[C@@H](C)CC(C)(C)C1)C(=O)[O-] ZINC000833636869 605404524 /nfs/dbraw/zinc/40/45/24/605404524.db2.gz AXTKWIHOVWZVMT-OBJOEFQTSA-N -1 1 298.427 1.970 20 0 CDADMM C[C@@]1(C(=O)[O-])CCN(CN2CC3(CCCC3)OC2=O)C1 ZINC000833553628 605420758 /nfs/dbraw/zinc/42/07/58/605420758.db2.gz GLKRLICRPQOSOJ-CYBMUJFWSA-N -1 1 282.340 1.506 20 0 CDADMM CC(C)c1nc([C@H](C)NC(=O)CC(C)(C)CC(=O)[O-])n[nH]1 ZINC000833512568 605720280 /nfs/dbraw/zinc/72/02/80/605720280.db2.gz PYHSNMFBHZILSF-VIFPVBQESA-N -1 1 296.371 1.996 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@@H+]2CCCCC[C@H]2C(=O)[O-])n1 ZINC000700432932 605850291 /nfs/dbraw/zinc/85/02/91/605850291.db2.gz AELPMVZZWXJKML-JTQLQIEISA-N -1 1 265.313 1.320 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@H+]2CCCCC[C@H]2C(=O)[O-])n1 ZINC000700432932 605850294 /nfs/dbraw/zinc/85/02/94/605850294.db2.gz AELPMVZZWXJKML-JTQLQIEISA-N -1 1 265.313 1.320 20 0 CDADMM CCC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820833370 606135457 /nfs/dbraw/zinc/13/54/57/606135457.db2.gz WHAIKHLOJJDBFT-ZCFIWIBFSA-N -1 1 280.309 1.453 20 0 CDADMM CCC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820833370 606135459 /nfs/dbraw/zinc/13/54/59/606135459.db2.gz WHAIKHLOJJDBFT-ZCFIWIBFSA-N -1 1 280.309 1.453 20 0 CDADMM O=C(NCc1cccnc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823261566 606487978 /nfs/dbraw/zinc/48/79/78/606487978.db2.gz NWCRCSMPBMSMDK-UHFFFAOYSA-N -1 1 286.320 1.253 20 0 CDADMM O=C(NCc1cccnc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823261566 606487979 /nfs/dbraw/zinc/48/79/79/606487979.db2.gz NWCRCSMPBMSMDK-UHFFFAOYSA-N -1 1 286.320 1.253 20 0 CDADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)C1CCOCC1 ZINC000820461063 606791626 /nfs/dbraw/zinc/79/16/26/606791626.db2.gz DRZMWHSADHFCGJ-VIFPVBQESA-N -1 1 274.328 1.489 20 0 CDADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)C1CCOCC1 ZINC000820461063 606791628 /nfs/dbraw/zinc/79/16/28/606791628.db2.gz DRZMWHSADHFCGJ-VIFPVBQESA-N -1 1 274.328 1.489 20 0 CDADMM CC[C@@H](O)CCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820931303 606879550 /nfs/dbraw/zinc/87/95/50/606879550.db2.gz DNZVFRWXPGFEGF-SNVBAGLBSA-N -1 1 298.350 1.988 20 0 CDADMM CC[C@@H](O)CCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820931303 606879551 /nfs/dbraw/zinc/87/95/51/606879551.db2.gz DNZVFRWXPGFEGF-SNVBAGLBSA-N -1 1 298.350 1.988 20 0 CDADMM C[C@]1(CNc2cccc(-c3nnn[n-]3)n2)CCCS1 ZINC000820623510 606946095 /nfs/dbraw/zinc/94/60/95/606946095.db2.gz SPGICMYAQMCZDZ-GFCCVEGCSA-N -1 1 276.369 1.959 20 0 CDADMM C[C@]1(CNc2cccc(-c3nn[n-]n3)n2)CCCS1 ZINC000820623510 606946097 /nfs/dbraw/zinc/94/60/97/606946097.db2.gz SPGICMYAQMCZDZ-GFCCVEGCSA-N -1 1 276.369 1.959 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccccc1F ZINC000095237135 607024862 /nfs/dbraw/zinc/02/48/62/607024862.db2.gz SVFYBAZVZIODRW-UHFFFAOYSA-N -1 1 290.283 1.715 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccccc1F ZINC000095237135 607024863 /nfs/dbraw/zinc/02/48/63/607024863.db2.gz SVFYBAZVZIODRW-UHFFFAOYSA-N -1 1 290.283 1.715 20 0 CDADMM C[C@@H]1OCC[C@H]1SCc1ccnc(-c2nnn[n-]2)c1 ZINC000825019605 607845497 /nfs/dbraw/zinc/84/54/97/607845497.db2.gz FVZFIDSIVWKLCH-GZMMTYOYSA-N -1 1 277.353 1.672 20 0 CDADMM C[C@@H]1OCC[C@H]1SCc1ccnc(-c2nn[n-]n2)c1 ZINC000825019605 607845498 /nfs/dbraw/zinc/84/54/98/607845498.db2.gz FVZFIDSIVWKLCH-GZMMTYOYSA-N -1 1 277.353 1.672 20 0 CDADMM Fc1cccc(OC[C@@H]2CCCCO2)c1-c1nnn[n-]1 ZINC000826377826 607864686 /nfs/dbraw/zinc/86/46/86/607864686.db2.gz HWBKXIIRVAFGAV-VIFPVBQESA-N -1 1 278.287 1.954 20 0 CDADMM c1cc(Sc2n[nH]c(C3CC3)n2)nc(-c2nn[n-]n2)c1 ZINC000826517889 607896093 /nfs/dbraw/zinc/89/60/93/607896093.db2.gz SFNXTVHAZZJTPL-UHFFFAOYSA-N -1 1 286.324 1.408 20 0 CDADMM CC(C)C[C@H]1COCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000824243672 607901519 /nfs/dbraw/zinc/90/15/19/607901519.db2.gz LREXLVLYWUHZNO-NSHDSACASA-N -1 1 288.355 1.513 20 0 CDADMM CC(C)C[C@H]1COCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000824243672 607901520 /nfs/dbraw/zinc/90/15/20/607901520.db2.gz LREXLVLYWUHZNO-NSHDSACASA-N -1 1 288.355 1.513 20 0 CDADMM CC(C)(C)C1=CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000824072036 607966872 /nfs/dbraw/zinc/96/68/72/607966872.db2.gz RMKMFUDMPNVPAJ-UHFFFAOYSA-N -1 1 285.355 1.839 20 0 CDADMM CC(C)(C)C1=CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000824072036 607966873 /nfs/dbraw/zinc/96/68/73/607966873.db2.gz RMKMFUDMPNVPAJ-UHFFFAOYSA-N -1 1 285.355 1.839 20 0 CDADMM c1ccc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826520226 607989027 /nfs/dbraw/zinc/98/90/27/607989027.db2.gz CXSVCPLBUGRBKT-CYBMUJFWSA-N -1 1 293.334 1.998 20 0 CDADMM c1ccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826520226 607989028 /nfs/dbraw/zinc/98/90/28/607989028.db2.gz CXSVCPLBUGRBKT-CYBMUJFWSA-N -1 1 293.334 1.998 20 0 CDADMM CCC[C@@](C)(O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825233835 607997427 /nfs/dbraw/zinc/99/74/27/607997427.db2.gz SJJFAOSJHCZPQC-CYBMUJFWSA-N -1 1 291.311 1.062 20 0 CDADMM O=C(Cn1ccnc1-c1nnn[n-]1)c1c[nH]c2ccccc12 ZINC000826424844 608013030 /nfs/dbraw/zinc/01/30/30/608013030.db2.gz GHYAIAGUNPTFKW-UHFFFAOYSA-N -1 1 293.290 1.427 20 0 CDADMM O=C(Cn1ccnc1-c1nn[n-]n1)c1c[nH]c2ccccc12 ZINC000826424844 608013031 /nfs/dbraw/zinc/01/30/31/608013031.db2.gz GHYAIAGUNPTFKW-UHFFFAOYSA-N -1 1 293.290 1.427 20 0 CDADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc[nH]1 ZINC000824662978 608016891 /nfs/dbraw/zinc/01/68/91/608016891.db2.gz UBLIASRLGLRIHA-MRVPVSSYSA-N -1 1 255.285 1.763 20 0 CDADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc[nH]1 ZINC000824662978 608016892 /nfs/dbraw/zinc/01/68/92/608016892.db2.gz UBLIASRLGLRIHA-MRVPVSSYSA-N -1 1 255.285 1.763 20 0 CDADMM CC(C)[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC000824216204 608242682 /nfs/dbraw/zinc/24/26/82/608242682.db2.gz OVZOWTCSUKEKDX-ONGXEEELSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC000824216204 608242683 /nfs/dbraw/zinc/24/26/83/608242683.db2.gz OVZOWTCSUKEKDX-ONGXEEELSA-N -1 1 289.343 1.272 20 0 CDADMM C[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000824961881 608303242 /nfs/dbraw/zinc/30/32/42/608303242.db2.gz KIZVOOCXTWYOPC-BDAKNGLRSA-N -1 1 259.317 1.139 20 0 CDADMM C[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000824961881 608303245 /nfs/dbraw/zinc/30/32/45/608303245.db2.gz KIZVOOCXTWYOPC-BDAKNGLRSA-N -1 1 259.317 1.139 20 0 CDADMM CCN(c1ccc(-c2nnn[n-]2)nn1)C1CCCCC1 ZINC000825445029 608388222 /nfs/dbraw/zinc/38/82/22/608388222.db2.gz UVKWIDUNMJRRLX-UHFFFAOYSA-N -1 1 273.344 1.816 20 0 CDADMM CCN(c1ccc(-c2nn[n-]n2)nn1)C1CCCCC1 ZINC000825445029 608388223 /nfs/dbraw/zinc/38/82/23/608388223.db2.gz UVKWIDUNMJRRLX-UHFFFAOYSA-N -1 1 273.344 1.816 20 0 CDADMM C[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824927889 608396549 /nfs/dbraw/zinc/39/65/49/608396549.db2.gz QYUVNNWEEQPVPI-RKDXNWHRSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824927889 608396550 /nfs/dbraw/zinc/39/65/50/608396550.db2.gz QYUVNNWEEQPVPI-RKDXNWHRSA-N -1 1 259.317 1.647 20 0 CDADMM c1ccc2c(c1)CC[C@@H]2CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826523196 608417299 /nfs/dbraw/zinc/41/72/99/608417299.db2.gz DRDUHIQNHDOGHX-LLVKDONJSA-N -1 1 293.334 1.799 20 0 CDADMM c1ccc2c(c1)CC[C@@H]2CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826523196 608417301 /nfs/dbraw/zinc/41/73/01/608417301.db2.gz DRDUHIQNHDOGHX-LLVKDONJSA-N -1 1 293.334 1.799 20 0 CDADMM C[C@H]1c2ccccc2CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000825029266 608429184 /nfs/dbraw/zinc/42/91/84/608429184.db2.gz PYLYLPGEYACCAZ-JTQLQIEISA-N -1 1 293.334 1.780 20 0 CDADMM C[C@H]1c2ccccc2CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000825029266 608429185 /nfs/dbraw/zinc/42/91/85/608429185.db2.gz PYLYLPGEYACCAZ-JTQLQIEISA-N -1 1 293.334 1.780 20 0 CDADMM Cc1cccc([C@@H](O)CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826297053 608434363 /nfs/dbraw/zinc/43/43/63/608434363.db2.gz TUJBQSXMHORFFJ-LBPRGKRZSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1cccc([C@@H](O)CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826297053 608434365 /nfs/dbraw/zinc/43/43/65/608434365.db2.gz TUJBQSXMHORFFJ-LBPRGKRZSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1ncsc1CNc1nc(-c2nn[n-]n2)ccc1C ZINC000826280586 608544329 /nfs/dbraw/zinc/54/43/29/608544329.db2.gz HYGBLIAAINCJSF-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM c1nc(-c2nn[n-]n2)nn1CCSc1ccccc1 ZINC000826522838 608671481 /nfs/dbraw/zinc/67/14/81/608671481.db2.gz QNBKMLGWJYJQNA-UHFFFAOYSA-N -1 1 273.325 1.251 20 0 CDADMM C[C@H]1CCC[C@H](Cn2cccc(-c3nn[n-]n3)c2=O)C1 ZINC000824925099 609377323 /nfs/dbraw/zinc/37/73/23/609377323.db2.gz AQDXMUOLUUSUCA-QWRGUYRKSA-N -1 1 273.340 1.855 20 0 CDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cncc(F)c1 ZINC000824654887 609386284 /nfs/dbraw/zinc/38/62/84/609386284.db2.gz ADMZPVYOYBRLPG-SSDOTTSWSA-N -1 1 286.274 1.364 20 0 CDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cncc(F)c1 ZINC000824654887 609386285 /nfs/dbraw/zinc/38/62/85/609386285.db2.gz ADMZPVYOYBRLPG-SSDOTTSWSA-N -1 1 286.274 1.364 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC=CCC1 ZINC000826472272 609455407 /nfs/dbraw/zinc/45/54/07/609455407.db2.gz FKUBMGSLUYSZEP-UHFFFAOYSA-N -1 1 261.310 1.330 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC=CCC1 ZINC000826472272 609455410 /nfs/dbraw/zinc/45/54/10/609455410.db2.gz FKUBMGSLUYSZEP-UHFFFAOYSA-N -1 1 261.310 1.330 20 0 CDADMM C/C=C(/C)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000940131387 613110957 /nfs/dbraw/zinc/11/09/57/613110957.db2.gz DGFHOQSVYHLKQC-LBQOUHFTSA-N -1 1 289.335 1.084 20 0 CDADMM O=C(NCc1cnc2n1CCOC2)c1ccc([O-])c(F)c1 ZINC000890847122 617342098 /nfs/dbraw/zinc/34/20/98/617342098.db2.gz RKJKJPJUNNXGTA-UHFFFAOYSA-N -1 1 291.282 1.188 20 0 CDADMM C[C@@H](C(=O)[N-]OC1CCOCC1)c1cccc(O)c1 ZINC000935455809 617418244 /nfs/dbraw/zinc/41/82/44/617418244.db2.gz HPWBPITXUVHNKD-SNVBAGLBSA-N -1 1 265.309 1.723 20 0 CDADMM COCc1nc(N2CCOCC3(CCC3)C2)cc(=O)[n-]1 ZINC000893174661 617439687 /nfs/dbraw/zinc/43/96/87/617439687.db2.gz GDJWMDHCRHHPMQ-UHFFFAOYSA-N -1 1 279.340 1.336 20 0 CDADMM CCCC(=O)N1CC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000936412438 614825851 /nfs/dbraw/zinc/82/58/51/614825851.db2.gz WKSHBOSQYPZOMO-NSHDSACASA-N -1 1 291.351 1.260 20 0 CDADMM CC(C)(C)OCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891617962 617506569 /nfs/dbraw/zinc/50/65/69/617506569.db2.gz MXPLIRZINMRFOV-UHFFFAOYSA-N -1 1 279.340 1.815 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)C1CCC(=O)CC1 ZINC000891624285 617511112 /nfs/dbraw/zinc/51/11/12/617511112.db2.gz YCBQYMPOIUDFJV-UHFFFAOYSA-N -1 1 289.335 1.759 20 0 CDADMM Cn1cc(C=CC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cn1 ZINC000891628162 617512730 /nfs/dbraw/zinc/51/27/30/617512730.db2.gz PQMVFJPIQCSLPO-SREVYHEPSA-N -1 1 299.334 1.446 20 0 CDADMM CCCCN1CC(N(CC)C(=O)c2ncccc2[O-])C1 ZINC000949951842 614968071 /nfs/dbraw/zinc/96/80/71/614968071.db2.gz FFYCUGPSXJZSRD-UHFFFAOYSA-N -1 1 277.368 1.734 20 0 CDADMM CCCC[C@H](COC)Nc1cc(=O)[n-]c(COC)n1 ZINC000892602864 617529969 /nfs/dbraw/zinc/52/99/69/617529969.db2.gz GNOIVBXIIZXSSB-SNVBAGLBSA-N -1 1 269.345 1.946 20 0 CDADMM COCc1nc(N(C)CCCOC(C)C)cc(=O)[n-]1 ZINC000892643198 617555804 /nfs/dbraw/zinc/55/58/04/617555804.db2.gz YCHQLWZCOCDFQG-UHFFFAOYSA-N -1 1 269.345 1.580 20 0 CDADMM CC[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1NC(C)=O ZINC000948389607 615905931 /nfs/dbraw/zinc/90/59/31/615905931.db2.gz JFBGEOBHSIBMRX-NWDGAFQWSA-N -1 1 291.351 1.164 20 0 CDADMM COC(=O)[C@@H]1CCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000888108814 620707174 /nfs/dbraw/zinc/70/71/74/620707174.db2.gz SOMFFDYQEJKBGO-JTQLQIEISA-N -1 1 283.711 1.362 20 0 CDADMM CCN(Cc1ccccn1)c1cc(=O)[n-]c(COC)n1 ZINC000892867141 617842351 /nfs/dbraw/zinc/84/23/51/617842351.db2.gz WVVKRRPRUCUKJD-UHFFFAOYSA-N -1 1 274.324 1.750 20 0 CDADMM CCC[C@H](C)C(=O)NCCNc1cc(=O)[n-]c(COC)n1 ZINC000893972931 618230917 /nfs/dbraw/zinc/23/09/17/618230917.db2.gz IPXOUKWFEUQFMA-JTQLQIEISA-N -1 1 296.371 1.293 20 0 CDADMM O=C([O-])[C@@]1(O)CCN(Cc2cc(Cl)cs2)C1 ZINC000901903361 618355010 /nfs/dbraw/zinc/35/50/10/618355010.db2.gz SMHHKWAJFPXPMQ-SNVBAGLBSA-N -1 1 261.730 1.423 20 0 CDADMM O=C([O-])[C@@H]1Cc2ccccc2CN1Cc1cnc2n1CCC2 ZINC000901976919 618390232 /nfs/dbraw/zinc/39/02/32/618390232.db2.gz YUCWTGUDYJGTED-HNNXBMFYSA-N -1 1 297.358 1.841 20 0 CDADMM Cc1cc(C(=O)[O-])cc(C(=O)N2CC[N@H+]3CC[C@H]2C3)c1 ZINC000910691547 618436369 /nfs/dbraw/zinc/43/63/69/618436369.db2.gz CLGGQVTUVBGGAY-ZDUSSCGKSA-N -1 1 274.320 1.223 20 0 CDADMM CC(C)[C@H](CNC(=O)c1cc2[nH]cnc2cc1F)C(=O)[O-] ZINC000902027047 618470815 /nfs/dbraw/zinc/47/08/15/618470815.db2.gz PLEOGWVIHFCACE-VIFPVBQESA-N -1 1 293.298 1.789 20 0 CDADMM CC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000902019716 618497215 /nfs/dbraw/zinc/49/72/15/618497215.db2.gz JSLAGXDATREMLX-GGZOMVNGSA-N -1 1 279.340 1.397 20 0 CDADMM CCN(C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C)[C@H](C)C(=O)[O-] ZINC000902047740 618517325 /nfs/dbraw/zinc/51/73/25/618517325.db2.gz RTDMORMNSNXDKF-SBMIAAHKSA-N -1 1 279.340 1.397 20 0 CDADMM Cc1ncc(CCNc2nccnc2-c2nnn[n-]2)s1 ZINC000822467602 618546481 /nfs/dbraw/zinc/54/64/81/618546481.db2.gz PRWALPNYHIALLB-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM Cc1ncc(CCNc2nccnc2-c2nn[n-]n2)s1 ZINC000822467602 618546487 /nfs/dbraw/zinc/54/64/87/618546487.db2.gz PRWALPNYHIALLB-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM CC(C)OC(=O)CCNc1cccc(-c2nnn[n-]2)n1 ZINC000824309448 618565870 /nfs/dbraw/zinc/56/58/70/618565870.db2.gz PGBZLYRDGMYENP-UHFFFAOYSA-N -1 1 276.300 1.015 20 0 CDADMM CC(C)OC(=O)CCNc1cccc(-c2nn[n-]n2)n1 ZINC000824309448 618565874 /nfs/dbraw/zinc/56/58/74/618565874.db2.gz PGBZLYRDGMYENP-UHFFFAOYSA-N -1 1 276.300 1.015 20 0 CDADMM O=C(N[C@@H]1C[C@H]2CCC[C@H]21)C(=O)c1ccc([O-])cc1 ZINC000889604001 619223263 /nfs/dbraw/zinc/22/32/63/619223263.db2.gz BLORMUDXSPNHMQ-RAIGVLPGSA-N -1 1 259.305 1.880 20 0 CDADMM C[C@@H](CN(C(=O)c1cc(C(F)F)[nH]n1)C1CC1)C(=O)[O-] ZINC000909455382 619328025 /nfs/dbraw/zinc/32/80/25/619328025.db2.gz HYDHISMGKOBMPY-LURJTMIESA-N -1 1 287.266 1.673 20 0 CDADMM C[C@@H](CN(C(=O)c1ccc2cncn2c1)C1CC1)C(=O)[O-] ZINC000909456256 619330509 /nfs/dbraw/zinc/33/05/09/619330509.db2.gz PIYBTCWCQPMUBK-JTQLQIEISA-N -1 1 287.319 1.660 20 0 CDADMM C[C@H](CN(C(=O)c1ccc2cncn2c1)C1CC1)C(=O)[O-] ZINC000909456257 619330607 /nfs/dbraw/zinc/33/06/07/619330607.db2.gz PIYBTCWCQPMUBK-SNVBAGLBSA-N -1 1 287.319 1.660 20 0 CDADMM O=C([O-])CC1(CNC(=O)CCc2cnc[nH]2)CCCCC1 ZINC000909463402 619340310 /nfs/dbraw/zinc/34/03/10/619340310.db2.gz DXZCXFXRUODCOG-UHFFFAOYSA-N -1 1 293.367 1.884 20 0 CDADMM CN1CC[C@@H]1CNC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000928556447 619366672 /nfs/dbraw/zinc/36/66/72/619366672.db2.gz XCCGQZBSKXDPBD-MRVPVSSYSA-N -1 1 288.269 1.845 20 0 CDADMM CCN(CC(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-])C1CC1 ZINC000909530258 619920937 /nfs/dbraw/zinc/92/09/37/619920937.db2.gz RTIQWDUDNRFFBW-SWLSCSKDSA-N -1 1 282.384 1.620 20 0 CDADMM CC[C@@H](CNC(=O)c1[nH]nc2c1C[C@@H](C)CC2)C(=O)[O-] ZINC000902841825 625496603 /nfs/dbraw/zinc/49/66/03/625496603.db2.gz AKHLSDRKLNOCQO-IUCAKERBSA-N -1 1 279.340 1.375 20 0 CDADMM CC[C@H](CNC(=O)c1ccc2cncn2c1)C(=O)[O-] ZINC000902848939 625514778 /nfs/dbraw/zinc/51/47/78/625514778.db2.gz YYRINWKODFDRAF-SECBINFHSA-N -1 1 261.281 1.175 20 0 CDADMM CC[C@H]1CCCC[C@@H]1C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898754154 621865387 /nfs/dbraw/zinc/86/53/87/621865387.db2.gz GDPDHDICXZSSLX-UWVGGRQHSA-N -1 1 279.340 1.720 20 0 CDADMM CCCC(C)=CC(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898755029 621865878 /nfs/dbraw/zinc/86/58/78/621865878.db2.gz FJGPGEAOFCYNRE-VMPITWQZSA-N -1 1 251.286 1.250 20 0 CDADMM Cc1[n-]n(-c2ccc(-n3ccnc3)nn2)c(=O)c1C(C)C ZINC000899351675 622204894 /nfs/dbraw/zinc/20/48/94/622204894.db2.gz QRFAZQWNAWLQBA-CYBMUJFWSA-N -1 1 284.323 1.657 20 0 CDADMM C[C@H](O)C[C@H](C)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900800515 623552143 /nfs/dbraw/zinc/55/21/43/623552143.db2.gz NPXAKCYBYHNGAR-IUCAKERBSA-N -1 1 279.340 1.196 20 0 CDADMM CCC[C@@H](NC(=O)[C@@H]1CCOC2(CCC2)C1)c1nn[n-]n1 ZINC000900983132 623749157 /nfs/dbraw/zinc/74/91/57/623749157.db2.gz IXGHXSJDRVKEKQ-GHMZBOCLSA-N -1 1 293.371 1.506 20 0 CDADMM COC(C)(C)CN(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901038344 623830935 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298.354 1.423 20 0 CDADMM CCn1ccc(CN(C)c2cc(-c3nn[n-]n3)nc(C)n2)c1 ZINC001604609407 1163246670 /nfs/dbraw/zinc/24/66/70/1163246670.db2.gz ITTRBXZGMVOFKV-UHFFFAOYSA-N -1 1 298.354 1.423 20 0 CDADMM C[C@H]1[C@H](N[C@@H](C(N)=O)c2ccccn2)CC[C@H]1CC(=O)[O-] ZINC001604636746 1163260481 /nfs/dbraw/zinc/26/04/81/1163260481.db2.gz GMEKHTWWBLDAFM-FBKDDSFISA-N -1 1 291.351 1.087 20 0 CDADMM C[C@@H]1CC[C@@H](NC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)C1 ZINC001604702657 1163289668 /nfs/dbraw/zinc/28/96/68/1163289668.db2.gz CKKVCYQNVWVUBZ-FRRDWIJNSA-N -1 1 297.399 1.365 20 0 CDADMM CN(C)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)o2)cn1 ZINC001604704742 1163290700 /nfs/dbraw/zinc/29/07/00/1163290700.db2.gz WANQGLKFHOMTID-UHFFFAOYSA-N -1 1 299.294 1.173 20 0 CDADMM CN(C)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)cn1 ZINC001604704742 1163290705 /nfs/dbraw/zinc/29/07/05/1163290705.db2.gz WANQGLKFHOMTID-UHFFFAOYSA-N -1 1 299.294 1.173 20 0 CDADMM C[C@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCC2)CCN1CCC(=O)[O-] ZINC001604779597 1163320729 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CDADMM CO[C@H]1CCCN(c2ccc(C)nc2-c2nnn[n-]2)C1 ZINC001605029628 1163423833 /nfs/dbraw/zinc/42/38/33/1163423833.db2.gz FNIYJKCFQHTXBO-JTQLQIEISA-N -1 1 274.328 1.185 20 0 CDADMM CO[C@H]1CCCN(c2ccc(C)nc2-c2nn[n-]n2)C1 ZINC001605029628 1163423835 /nfs/dbraw/zinc/42/38/35/1163423835.db2.gz FNIYJKCFQHTXBO-JTQLQIEISA-N -1 1 274.328 1.185 20 0 CDADMM CO[C@H]1C[C@@H](COC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC001605154116 1163470969 /nfs/dbraw/zinc/47/09/69/1163470969.db2.gz SJSDBYLDXSOQAK-OCAPTIKFSA-N -1 1 294.336 1.510 20 0 CDADMM COc1cccc(Cn2ccnc2-c2nnn[n-]2)c1C ZINC001605319512 1163523337 /nfs/dbraw/zinc/52/33/37/1163523337.db2.gz FCGATPZVUIXBLE-UHFFFAOYSA-N -1 1 270.296 1.429 20 0 CDADMM COc1cccc(Cn2ccnc2-c2nn[n-]n2)c1C ZINC001605319512 1163523343 /nfs/dbraw/zinc/52/33/43/1163523343.db2.gz FCGATPZVUIXBLE-UHFFFAOYSA-N -1 1 270.296 1.429 20 0 CDADMM CCN(CC(N)=O)Cc1ccc(C(=O)[O-])c(C)c1 ZINC001605421809 1163560277 /nfs/dbraw/zinc/56/02/77/1163560277.db2.gz QTHAHTDWSHWDRJ-UHFFFAOYSA-N -1 1 250.298 1.000 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(CC(C)C)C2CC2)n1 ZINC001605555350 1163608478 /nfs/dbraw/zinc/60/84/78/1163608478.db2.gz CBDITEUSAAEDEL-UHFFFAOYSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(CC(C)C)C2CC2)n1 ZINC001605555350 1163608483 /nfs/dbraw/zinc/60/84/83/1163608483.db2.gz CBDITEUSAAEDEL-UHFFFAOYSA-N -1 1 273.344 1.590 20 0 CDADMM CCOC(=O)c1c(C)[nH]nc1CN1CC[C@H](C(=O)[O-])[C@H]1C ZINC001605562904 1163611341 /nfs/dbraw/zinc/61/13/41/1163611341.db2.gz DXDWBRXHVXNVEG-ZJUUUORDSA-N -1 1 295.339 1.190 20 0 CDADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCO[C@H](C)CC1 ZINC001605802999 1163677303 /nfs/dbraw/zinc/67/73/03/1163677303.db2.gz SWOQZESPZAPFNL-SNVBAGLBSA-N -1 1 274.328 1.185 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCO[C@H](C)CC1 ZINC001605802999 1163677307 /nfs/dbraw/zinc/67/73/07/1163677307.db2.gz SWOQZESPZAPFNL-SNVBAGLBSA-N -1 1 274.328 1.185 20 0 CDADMM CCc1nc([C@@H](C)OC(=O)c2ccc(C(=O)[O-])n2C)n[nH]1 ZINC001605845000 1163687051 /nfs/dbraw/zinc/68/70/51/1163687051.db2.gz DLTVVOCPTMNKKM-SSDOTTSWSA-N -1 1 292.295 1.322 20 0 CDADMM Cc1ccc(N[C@@H](C)c2ccn(C)n2)nc1-c1nnn[n-]1 ZINC001605872363 1163700664 /nfs/dbraw/zinc/70/06/64/1163700664.db2.gz WZWWXKPZIPLGFB-VIFPVBQESA-N -1 1 284.327 1.477 20 0 CDADMM Cc1ccc(N[C@@H](C)c2ccn(C)n2)nc1-c1nn[n-]n1 ZINC001605872363 1163700669 /nfs/dbraw/zinc/70/06/69/1163700669.db2.gz WZWWXKPZIPLGFB-VIFPVBQESA-N -1 1 284.327 1.477 20 0 CDADMM Cc1cccc2c1CCN2c1cc(-c2nnn[n-]2)ncn1 ZINC001605931183 1163717390 /nfs/dbraw/zinc/71/73/90/1163717390.db2.gz UXWASKHSQLBCOW-UHFFFAOYSA-N -1 1 279.307 1.659 20 0 CDADMM Cc1cccc2c1CCN2c1cc(-c2nn[n-]n2)ncn1 ZINC001605931183 1163717397 /nfs/dbraw/zinc/71/73/97/1163717397.db2.gz UXWASKHSQLBCOW-UHFFFAOYSA-N -1 1 279.307 1.659 20 0 CDADMM Cc1cccnc1-c1noc(-c2ccc(-c3nn[n-]n3)o2)n1 ZINC001605944044 1163722526 /nfs/dbraw/zinc/72/25/26/1163722526.db2.gz UTDZNLPLYHOAQH-UHFFFAOYSA-N -1 1 295.262 1.880 20 0 CDADMM CN(C)C(=O)O[C@@H]1CCN(Cc2ccsc2C(=O)[O-])C1 ZINC001606002522 1163740457 /nfs/dbraw/zinc/74/04/57/1163740457.db2.gz IYRWRUSJCGQEBD-SNVBAGLBSA-N -1 1 298.364 1.719 20 0 CDADMM Cc1nc(NC[C@H](O)c2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001606067021 1163760809 /nfs/dbraw/zinc/76/08/09/1163760809.db2.gz JDKOQRWLUIORMQ-LBPRGKRZSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1nc(NC[C@H](O)c2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001606067021 1163760815 /nfs/dbraw/zinc/76/08/15/1163760815.db2.gz JDKOQRWLUIORMQ-LBPRGKRZSA-N -1 1 297.322 1.111 20 0 CDADMM CN[C@H](C)c1cn(Cc2cccc(C(=O)[O-])c2Cl)nn1 ZINC001606296078 1163840793 /nfs/dbraw/zinc/84/07/93/1163840793.db2.gz YKGJIOPCEYQSLZ-MRVPVSSYSA-N -1 1 294.742 1.958 20 0 CDADMM FC(F)[C@H]1CCCCN1Cc1cccc(-c2nnn[n-]2)n1 ZINC001606296144 1163841883 /nfs/dbraw/zinc/84/18/83/1163841883.db2.gz APYXBUMXMIDQMQ-LLVKDONJSA-N -1 1 294.309 1.881 20 0 CDADMM FC(F)[C@H]1CCCCN1Cc1cccc(-c2nn[n-]n2)n1 ZINC001606296144 1163841890 /nfs/dbraw/zinc/84/18/90/1163841890.db2.gz APYXBUMXMIDQMQ-LLVKDONJSA-N -1 1 294.309 1.881 20 0 CDADMM FC1(F)CC12CCN(c1ncncc1-c1nn[n-]n1)CC2 ZINC001606300458 1163845576 /nfs/dbraw/zinc/84/55/76/1163845576.db2.gz HRLQKAKODIYZQP-UHFFFAOYSA-N -1 1 293.281 1.282 20 0 CDADMM FC(F)c1noc(CNc2cccc(-c3nnn[n-]3)n2)n1 ZINC001606300233 1163846918 /nfs/dbraw/zinc/84/69/18/1163846918.db2.gz OFIAPXMYICXXET-UHFFFAOYSA-N -1 1 294.225 1.194 20 0 CDADMM FC(F)c1noc(CNc2cccc(-c3nn[n-]n3)n2)n1 ZINC001606300233 1163846923 /nfs/dbraw/zinc/84/69/23/1163846923.db2.gz OFIAPXMYICXXET-UHFFFAOYSA-N -1 1 294.225 1.194 20 0 CDADMM COC(=O)[C@@H]1CN(Cc2cc(F)cc(F)c2)C[C@H]1C(=O)[O-] ZINC001606432133 1163896236 /nfs/dbraw/zinc/89/62/36/1163896236.db2.gz YIDLKOCPWDFZJL-VXGBXAGGSA-N -1 1 299.273 1.270 20 0 CDADMM O=C(NCc1cccc(F)c1)c1coc(-c2nnn[n-]2)c1 ZINC001606838925 1164010089 /nfs/dbraw/zinc/01/00/89/1164010089.db2.gz QANYLNRSKHIIRY-UHFFFAOYSA-N -1 1 287.254 1.529 20 0 CDADMM O=C(NCc1cccc(F)c1)c1coc(-c2nn[n-]n2)c1 ZINC001606838925 1164010095 /nfs/dbraw/zinc/01/00/95/1164010095.db2.gz QANYLNRSKHIIRY-UHFFFAOYSA-N -1 1 287.254 1.529 20 0 CDADMM O=C(NOCc1ccccc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606863642 1164019211 /nfs/dbraw/zinc/01/92/11/1164019211.db2.gz JZLLCNGZVZWADJ-UHFFFAOYSA-N -1 1 296.290 1.123 20 0 CDADMM O=C(NOCc1ccccc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606863642 1164019212 /nfs/dbraw/zinc/01/92/12/1164019212.db2.gz JZLLCNGZVZWADJ-UHFFFAOYSA-N -1 1 296.290 1.123 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H]1C[C@H]1C1CCCC1 ZINC001606892578 1164024939 /nfs/dbraw/zinc/02/49/39/1164024939.db2.gz PLYGQSDVLROHSG-IUCAKERBSA-N -1 1 287.327 1.355 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H]1C[C@H]1C1CCCC1 ZINC001606892578 1164024947 /nfs/dbraw/zinc/02/49/47/1164024947.db2.gz PLYGQSDVLROHSG-IUCAKERBSA-N -1 1 287.327 1.355 20 0 CDADMM COCCO[C@@H]1CCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC001606901323 1164026124 /nfs/dbraw/zinc/02/61/24/1164026124.db2.gz JNCARQKCVSBECQ-CYBMUJFWSA-N -1 1 297.326 1.761 20 0 CDADMM O=C(OCC12CCC(CC1)C2)c1cccc(-c2nnn[n-]2)n1 ZINC001606965722 1164040986 /nfs/dbraw/zinc/04/09/86/1164040986.db2.gz ULBPBTBNJAVLCK-UHFFFAOYSA-N -1 1 299.334 1.999 20 0 CDADMM O=C(OCC12CCC(CC1)C2)c1cccc(-c2nn[n-]n2)n1 ZINC001606965722 1164040994 /nfs/dbraw/zinc/04/09/94/1164040994.db2.gz ULBPBTBNJAVLCK-UHFFFAOYSA-N -1 1 299.334 1.999 20 0 CDADMM O=C(OCCCCCF)c1coc(-c2nnn[n-]2)c1 ZINC001606967904 1164042082 /nfs/dbraw/zinc/04/20/82/1164042082.db2.gz AXLLOIDRABKHOU-UHFFFAOYSA-N -1 1 268.248 1.756 20 0 CDADMM O=C(OCCCCCF)c1coc(-c2nn[n-]n2)c1 ZINC001606967904 1164042085 /nfs/dbraw/zinc/04/20/85/1164042085.db2.gz AXLLOIDRABKHOU-UHFFFAOYSA-N -1 1 268.248 1.756 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCCC12CCC2 ZINC001607025818 1164062038 /nfs/dbraw/zinc/06/20/38/1164062038.db2.gz LIAWRVOEVHVMCT-UHFFFAOYSA-N -1 1 284.323 1.420 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCCC12CCC2 ZINC001607025818 1164062043 /nfs/dbraw/zinc/06/20/43/1164062043.db2.gz LIAWRVOEVHVMCT-UHFFFAOYSA-N -1 1 284.323 1.420 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@H](C2CC2)C1 ZINC001607021126 1164063863 /nfs/dbraw/zinc/06/38/63/1164063863.db2.gz GRLNOIHGADXCCX-JTQLQIEISA-N -1 1 284.323 1.134 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@H](C2CC2)C1 ZINC001607021126 1164063867 /nfs/dbraw/zinc/06/38/67/1164063867.db2.gz GRLNOIHGADXCCX-JTQLQIEISA-N -1 1 284.323 1.134 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1CCCOc1ccccc1 ZINC001607090687 1164078388 /nfs/dbraw/zinc/07/83/88/1164078388.db2.gz VEHIDYMXYJYBNE-UHFFFAOYSA-N -1 1 297.318 1.498 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NCC[C@@H]1CCSC1 ZINC001607116320 1164094913 /nfs/dbraw/zinc/09/49/13/1164094913.db2.gz GXKFPQZIVKSYQS-MRVPVSSYSA-N -1 1 277.357 1.212 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NCC[C@@H]1CCSC1 ZINC001607116320 1164094920 /nfs/dbraw/zinc/09/49/20/1164094920.db2.gz GXKFPQZIVKSYQS-MRVPVSSYSA-N -1 1 277.357 1.212 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@@H]2C[C@@H]3CCC[C@H]3O2)c1 ZINC001607133174 1164113324 /nfs/dbraw/zinc/11/33/24/1164113324.db2.gz ADZBFORKYFCHIF-JBLDHEPKSA-N -1 1 286.339 1.631 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@@H]2C[C@@H]3CCC[C@H]3O2)c1 ZINC001607133174 1164113325 /nfs/dbraw/zinc/11/33/25/1164113325.db2.gz ADZBFORKYFCHIF-JBLDHEPKSA-N -1 1 286.339 1.631 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@@H]2C[C@H]3CCC[C@@H]3O2)c1 ZINC001607133182 1164113352 /nfs/dbraw/zinc/11/33/52/1164113352.db2.gz ADZBFORKYFCHIF-SCVCMEIPSA-N -1 1 286.339 1.631 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@@H]2C[C@H]3CCC[C@@H]3O2)c1 ZINC001607133182 1164113356 /nfs/dbraw/zinc/11/33/56/1164113356.db2.gz ADZBFORKYFCHIF-SCVCMEIPSA-N -1 1 286.339 1.631 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC2C[C@H]3CC[C@@H](C2)S3)n1 ZINC001607134296 1164115063 /nfs/dbraw/zinc/11/50/63/1164115063.db2.gz YCMWMVLLZNYHJC-CBLAIPOGSA-N -1 1 289.368 1.495 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC2C[C@H]3CC[C@@H](C2)S3)n1 ZINC001607134296 1164115066 /nfs/dbraw/zinc/11/50/66/1164115066.db2.gz YCMWMVLLZNYHJC-CBLAIPOGSA-N -1 1 289.368 1.495 20 0 CDADMM c1csc(CCCNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001607136227 1164116396 /nfs/dbraw/zinc/11/63/96/1164116396.db2.gz AJEZLLSLXOSONM-UHFFFAOYSA-N -1 1 287.352 1.185 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NCCOC1CCCC1 ZINC001607138270 1164119271 /nfs/dbraw/zinc/11/92/71/1164119271.db2.gz DXPNPOUSRRXCSV-UHFFFAOYSA-N -1 1 275.316 1.028 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NCCOC1CCCC1 ZINC001607138270 1164119276 /nfs/dbraw/zinc/11/92/76/1164119276.db2.gz DXPNPOUSRRXCSV-UHFFFAOYSA-N -1 1 275.316 1.028 20 0 CDADMM COc1ccc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC001607215823 1164131590 /nfs/dbraw/zinc/13/15/90/1164131590.db2.gz KLXTVNSTCCGRAM-LLVKDONJSA-N -1 1 293.319 1.690 20 0 CDADMM COc1cccnc1CNC[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC001607348811 1164152303 /nfs/dbraw/zinc/15/23/03/1164152303.db2.gz OPJASLIXRVYCSF-GMSGAONNSA-N -1 1 272.251 1.146 20 0 CDADMM C[C@H](N[C@@H](C(=O)[O-])C1CC1)C(=O)NCCc1ccccc1 ZINC001607460949 1164189445 /nfs/dbraw/zinc/18/94/45/1164189445.db2.gz KIDXYBNEICYBPB-SMDDNHRTSA-N -1 1 290.363 1.187 20 0 CDADMM Cc1c[nH]nc1C[N@@H+]1[C@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001607556743 1164224336 /nfs/dbraw/zinc/22/43/36/1164224336.db2.gz YGMGDPKKRJKSBC-LPTSXCQYSA-N -1 1 279.340 1.313 20 0 CDADMM Cc1c[nH]nc1CN1[C@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001607556743 1164224346 /nfs/dbraw/zinc/22/43/46/1164224346.db2.gz YGMGDPKKRJKSBC-LPTSXCQYSA-N -1 1 279.340 1.313 20 0 CDADMM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cnncc1O ZINC001607617476 1164242191 /nfs/dbraw/zinc/24/21/91/1164242191.db2.gz DBQIPQPSHNISJI-UHFFFAOYSA-N -1 1 287.275 1.750 20 0 CDADMM Cc1cc(CN)oc1C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC001607640663 1164252508 /nfs/dbraw/zinc/25/25/08/1164252508.db2.gz SDEFFVSCALMVBI-ZETCQYMHSA-N -1 1 294.229 1.182 20 0 CDADMM O=S(=O)([N-]c1ccnc(F)c1)c1ccc(O)cc1 ZINC001195766452 1164402834 /nfs/dbraw/zinc/40/28/34/1164402834.db2.gz OJHFVIFAPQWUGV-UHFFFAOYSA-N -1 1 268.269 1.727 20 0 CDADMM Cn1cc(CN[C@H](CF)C(=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001608113536 1164412740 /nfs/dbraw/zinc/41/27/40/1164412740.db2.gz FCPSQXRCTCJARC-GFCCVEGCSA-N -1 1 295.289 1.739 20 0 CDADMM Cn1cc(CNCc2nn(C)c3ccccc23)cc1C(=O)[O-] ZINC001608113510 1164413235 /nfs/dbraw/zinc/41/32/35/1164413235.db2.gz FVWMBCBEVJOSQW-UHFFFAOYSA-N -1 1 298.346 1.900 20 0 CDADMM Nc1ccc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])nn1 ZINC001608273163 1164476779 /nfs/dbraw/zinc/47/67/79/1164476779.db2.gz USAFYAWDDIMVDR-CYBMUJFWSA-N -1 1 284.319 1.070 20 0 CDADMM O=C([O-])[C@@H](NC(=O)C(F)(F)C(F)F)c1ccsc1 ZINC001608543223 1164538893 /nfs/dbraw/zinc/53/88/93/1164538893.db2.gz JLKZFIKBHSEOMC-YFKPBYRVSA-N -1 1 285.218 1.890 20 0 CDADMM O=C([O-])[C@H](c1ccsc1)N1CCc2n[nH]nc2C1 ZINC001608560931 1164545983 /nfs/dbraw/zinc/54/59/83/1164545983.db2.gz FMNPESMJPQQNQH-JTQLQIEISA-N -1 1 264.310 1.050 20 0 CDADMM O=C([O-])CCN1CC[C@H](N2Cc3ccccc3C2)C1=O ZINC001608723370 1164621843 /nfs/dbraw/zinc/62/18/43/1164621843.db2.gz NDWHPALINOPMHV-ZDUSSCGKSA-N -1 1 274.320 1.078 20 0 CDADMM CC1(c2noc(-c3ccc(-c4nn[n-]n4)o3)n2)CC1 ZINC001609151191 1164799795 /nfs/dbraw/zinc/79/97/95/1164799795.db2.gz GLISXIACMDMBSO-UHFFFAOYSA-N -1 1 258.241 1.561 20 0 CDADMM CC[C@@H](C)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609184168 1164823081 /nfs/dbraw/zinc/82/30/81/1164823081.db2.gz RHHZCZHLTSXIFZ-SFYZADRCSA-N -1 1 263.301 1.624 20 0 CDADMM CC[C@@H](C)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609184168 1164823087 /nfs/dbraw/zinc/82/30/87/1164823087.db2.gz RHHZCZHLTSXIFZ-SFYZADRCSA-N -1 1 263.301 1.624 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCCc2ccccn2)n1 ZINC001609392386 1164925865 /nfs/dbraw/zinc/92/58/65/1164925865.db2.gz OGWVMRFDMMANAD-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCCc2ccccn2)n1 ZINC001609392386 1164925868 /nfs/dbraw/zinc/92/58/68/1164925868.db2.gz OGWVMRFDMMANAD-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1cc(NC[C@H]2CCC[C@@H]2O)cc(-c2nnn[n-]2)n1 ZINC001609410690 1164938249 /nfs/dbraw/zinc/93/82/49/1164938249.db2.gz STMTWVNLVJXPFH-SKDRFNHKSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cc(NC[C@H]2CCC[C@@H]2O)cc(-c2nn[n-]n2)n1 ZINC001609410690 1164938254 /nfs/dbraw/zinc/93/82/54/1164938254.db2.gz STMTWVNLVJXPFH-SKDRFNHKSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1ccc(NCCc2cscn2)nc1-c1nnn[n-]1 ZINC001609426521 1164941939 /nfs/dbraw/zinc/94/19/39/1164941939.db2.gz XQMGKRTTZHLLIE-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM Cc1ccc(N(C)C(=O)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC001609425099 1164942019 /nfs/dbraw/zinc/94/20/19/1164942019.db2.gz YPFZYLFFXINMTK-UHFFFAOYSA-N -1 1 294.318 1.847 20 0 CDADMM Cc1ccc(N(C)C(=O)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC001609425099 1164942027 /nfs/dbraw/zinc/94/20/27/1164942027.db2.gz YPFZYLFFXINMTK-UHFFFAOYSA-N -1 1 294.318 1.847 20 0 CDADMM Cc1cncc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001609440682 1164947286 /nfs/dbraw/zinc/94/72/86/1164947286.db2.gz HLALFFPURZYTFP-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1cncc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001609440682 1164947289 /nfs/dbraw/zinc/94/72/89/1164947289.db2.gz HLALFFPURZYTFP-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1nc(CNc2cnc(-c3nnn[n-]3)cn2)sc1C ZINC001609450116 1164952423 /nfs/dbraw/zinc/95/24/23/1164952423.db2.gz AAVGXBYAPHQNRL-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Cc1nc(CNc2cnc(-c3nn[n-]n3)cn2)sc1C ZINC001609450116 1164952425 /nfs/dbraw/zinc/95/24/25/1164952425.db2.gz AAVGXBYAPHQNRL-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Clc1nc(N[C@H]2CCSC2)sc1-c1nnn[n-]1 ZINC001609474487 1164966657 /nfs/dbraw/zinc/96/66/57/1164966657.db2.gz BXOOUVCTVVUBAT-BYPYZUCNSA-N -1 1 288.789 1.894 20 0 CDADMM Clc1nc(N[C@H]2CCSC2)sc1-c1nn[n-]n1 ZINC001609474487 1164966664 /nfs/dbraw/zinc/96/66/64/1164966664.db2.gz BXOOUVCTVVUBAT-BYPYZUCNSA-N -1 1 288.789 1.894 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)CC(C)(C)C ZINC001609466966 1164963920 /nfs/dbraw/zinc/96/39/20/1164963920.db2.gz PLAPUFAVVXJYBB-UHFFFAOYSA-N -1 1 277.328 1.886 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)CC(C)(C)C ZINC001609466966 1164963925 /nfs/dbraw/zinc/96/39/25/1164963925.db2.gz PLAPUFAVVXJYBB-UHFFFAOYSA-N -1 1 277.328 1.886 20 0 CDADMM Cc1ocnc1CNc1cccnc1-c1nnn[n-]1 ZINC001609470746 1164964185 /nfs/dbraw/zinc/96/41/85/1164964185.db2.gz PWKSJBQETQGQPA-UHFFFAOYSA-N -1 1 257.257 1.170 20 0 CDADMM Cc1ocnc1CNc1cccnc1-c1nn[n-]n1 ZINC001609470746 1164964189 /nfs/dbraw/zinc/96/41/89/1164964189.db2.gz PWKSJBQETQGQPA-UHFFFAOYSA-N -1 1 257.257 1.170 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C(C)C)C1COC1 ZINC001609466928 1164964269 /nfs/dbraw/zinc/96/42/69/1164964269.db2.gz OEFQCDSBBGJPHO-UHFFFAOYSA-N -1 1 291.311 1.018 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C(C)C)C1COC1 ZINC001609466928 1164964274 /nfs/dbraw/zinc/96/42/74/1164964274.db2.gz OEFQCDSBBGJPHO-UHFFFAOYSA-N -1 1 291.311 1.018 20 0 CDADMM Clc1ccccc1COc1cnc(-c2nn[n-]n2)nc1 ZINC001609474079 1164967156 /nfs/dbraw/zinc/96/71/56/1164967156.db2.gz FHJTYYCFIQLBPB-UHFFFAOYSA-N -1 1 288.698 1.889 20 0 CDADMM Fc1cncc(COc2ccc(F)nc2-c2nnn[n-]2)c1 ZINC001609492376 1164974801 /nfs/dbraw/zinc/97/48/01/1164974801.db2.gz AFEIOCNUSSJAFH-UHFFFAOYSA-N -1 1 290.233 1.514 20 0 CDADMM Fc1cncc(COc2ccc(F)nc2-c2nn[n-]n2)c1 ZINC001609492376 1164974806 /nfs/dbraw/zinc/97/48/06/1164974806.db2.gz AFEIOCNUSSJAFH-UHFFFAOYSA-N -1 1 290.233 1.514 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC(F)(F)CC1 ZINC001609581501 1164996105 /nfs/dbraw/zinc/99/61/05/1164996105.db2.gz NTZKXUCKMIYLIS-UHFFFAOYSA-N -1 1 283.238 1.331 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC(F)(F)CC1 ZINC001609581501 1164996107 /nfs/dbraw/zinc/99/61/07/1164996107.db2.gz NTZKXUCKMIYLIS-UHFFFAOYSA-N -1 1 283.238 1.331 20 0 CDADMM O=C(Oc1ccccc1F)c1cccc(-c2nnn[n-]2)n1 ZINC001609579215 1164996933 /nfs/dbraw/zinc/99/69/33/1164996933.db2.gz IMDICTZTRHJLAC-UHFFFAOYSA-N -1 1 285.238 1.620 20 0 CDADMM O=C(Oc1ccccc1F)c1cccc(-c2nn[n-]n2)n1 ZINC001609579215 1164996939 /nfs/dbraw/zinc/99/69/39/1164996939.db2.gz IMDICTZTRHJLAC-UHFFFAOYSA-N -1 1 285.238 1.620 20 0 CDADMM OC1CC(CCNc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001609607916 1165000938 /nfs/dbraw/zinc/00/09/38/1165000938.db2.gz SJRNAYYUFPZIIH-UHFFFAOYSA-N -1 1 294.746 1.488 20 0 CDADMM OC1CC(CCNc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001609607916 1165000942 /nfs/dbraw/zinc/00/09/42/1165000942.db2.gz SJRNAYYUFPZIIH-UHFFFAOYSA-N -1 1 294.746 1.488 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1ccccc1Cl ZINC001609605300 1165001811 /nfs/dbraw/zinc/00/18/11/1165001811.db2.gz UIQSESULJAHCDE-UHFFFAOYSA-N -1 1 287.710 1.730 20 0 CDADMM O[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001609606281 1165001829 /nfs/dbraw/zinc/00/18/29/1165001829.db2.gz ALQDIACJQTWJPR-RXMQYKEDSA-N -1 1 286.748 1.159 20 0 CDADMM c1ccc([C@H]2CCN(c3ncncc3-c3nn[n-]n3)C2)cc1 ZINC001609616862 1165013303 /nfs/dbraw/zinc/01/33/03/1165013303.db2.gz IHDIWDIJDSYICO-LBPRGKRZSA-N -1 1 293.334 1.651 20 0 CDADMM c1ccc2c(c1)N(c1cnc(-c3nnn[n-]3)cn1)CC21CC1 ZINC001609618824 1165014342 /nfs/dbraw/zinc/01/43/42/1165014342.db2.gz QMQBNHZOQSERNZ-UHFFFAOYSA-N -1 1 291.318 1.840 20 0 CDADMM c1ccc2c(c1)N(c1cnc(-c3nn[n-]n3)cn1)CC21CC1 ZINC001609618824 1165014350 /nfs/dbraw/zinc/01/43/50/1165014350.db2.gz QMQBNHZOQSERNZ-UHFFFAOYSA-N -1 1 291.318 1.840 20 0 CDADMM c1ccc2c(c1)N(c1ncncc1-c1nn[n-]n1)CC21CC1 ZINC001609618368 1165015808 /nfs/dbraw/zinc/01/58/08/1165015808.db2.gz CZOUXRYRNPOQMZ-UHFFFAOYSA-N -1 1 291.318 1.840 20 0 CDADMM C[C@H](NCCC1OCCO1)c1ncc(C(=O)[O-])s1 ZINC001609781323 1165078538 /nfs/dbraw/zinc/07/85/38/1165078538.db2.gz VYUZFZUAIGFPKB-ZETCQYMHSA-N -1 1 272.326 1.255 20 0 CDADMM Cc1cc(C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)cs1 ZINC001610434489 1165315436 /nfs/dbraw/zinc/31/54/36/1165315436.db2.gz GODKPUGVACYINN-LLVKDONJSA-N -1 1 282.365 1.145 20 0 CDADMM Cc1ccc([C@H]2CCN(CC(=O)NCCC(=O)[O-])C2)cc1 ZINC001610498039 1165330635 /nfs/dbraw/zinc/33/06/35/1165330635.db2.gz AGOWYLAAKUHIDS-AWEZNQCLSA-N -1 1 290.363 1.375 20 0 CDADMM Cc1ccc2cc(CN3C[C@H](O)C[C@@H]3C(=O)[O-])ccc2n1 ZINC001610515991 1165335071 /nfs/dbraw/zinc/33/50/71/1165335071.db2.gz XVNZFZPKHOHTKX-UKRRQHHQSA-N -1 1 286.331 1.563 20 0 CDADMM Cc1ccccc1[C@@H](C(=O)[O-])[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC001610529813 1165342254 /nfs/dbraw/zinc/34/22/54/1165342254.db2.gz RPBGAXYZZPNZAZ-JQWIXIFHSA-N -1 1 263.293 1.527 20 0 CDADMM Cc1cnn([C@H]2CC[N@@H+](Cc3ccoc3C(=O)[O-])C2)c1 ZINC001610541417 1165348163 /nfs/dbraw/zinc/34/81/63/1165348163.db2.gz DOYJFZQRDJLVCJ-LBPRGKRZSA-N -1 1 275.308 1.930 20 0 CDADMM Cc1nc2ccc(Cn3nc(C(=O)[O-])ccc3=O)cc2[nH]1 ZINC001610559524 1165355111 /nfs/dbraw/zinc/35/51/11/1165355111.db2.gz IZWQBOKSUMCMRT-UHFFFAOYSA-N -1 1 284.275 1.175 20 0 CDADMM Cc1nc([C@H](C)NC(=O)c2ccc(C(=O)[O-])c(F)c2)n[nH]1 ZINC001610572690 1165361503 /nfs/dbraw/zinc/36/15/03/1165361503.db2.gz JXXFEXIRKJCNLN-LURJTMIESA-N -1 1 292.270 1.441 20 0 CDADMM O=C([O-])[C@H](c1ccc(F)cc1)N1CCc2n[nH]nc2C1 ZINC001610725370 1165416187 /nfs/dbraw/zinc/41/61/87/1165416187.db2.gz KRBUKHSTUOAVJT-LBPRGKRZSA-N -1 1 276.271 1.128 20 0 CDADMM O=C([O-])[C@H](c1ccsc1)N1CC[C@](O)(C2CC2)C1 ZINC001610724283 1165416970 /nfs/dbraw/zinc/41/69/70/1165416970.db2.gz BSTIOPGLEOIBST-WCQYABFASA-N -1 1 267.350 1.721 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](O)CN1Cc1cnc(-c2ccccc2)[nH]1 ZINC001610737367 1165423990 /nfs/dbraw/zinc/42/39/90/1165423990.db2.gz PMQXOFHJNDVVSA-CHWSQXEVSA-N -1 1 287.319 1.097 20 0 CDADMM O=C([O-])CCNS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC001610775094 1165438524 /nfs/dbraw/zinc/43/85/24/1165438524.db2.gz MJJWYBLDDZCJSS-UHFFFAOYSA-N -1 1 299.682 1.371 20 0 CDADMM O=C([O-])c1coc(CN2CC[C@@H](n3cncn3)C2)c1 ZINC001610867477 1165467850 /nfs/dbraw/zinc/46/78/50/1165467850.db2.gz KHHFDEJUHFFLKZ-SNVBAGLBSA-N -1 1 262.269 1.016 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cc(=O)c2ccccc2o1 ZINC001611374556 1165491023 /nfs/dbraw/zinc/49/10/23/1165491023.db2.gz WCMSZJYLRMWLQB-UHFFFAOYSA-N -1 1 271.232 1.474 20 0 CDADMM Cn1cc(C(=O)Nc2c[n-][nH]c2=O)c(C(F)F)n1 ZINC001611380462 1165492557 /nfs/dbraw/zinc/49/25/57/1165492557.db2.gz UXLWQDCAWKWWBQ-UHFFFAOYSA-N -1 1 257.200 1.039 20 0 CDADMM C[S@@](=O)c1cccc(C(=O)Nc2c[n-][nH]c2=O)c1 ZINC001611380501 1165492854 /nfs/dbraw/zinc/49/28/54/1165492854.db2.gz VOWPTYOYGXCBJL-GOSISDBHSA-N 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PTLISYCKKLCUSR-UHFFFAOYSA-N -1 1 295.245 1.256 20 0 CDADMM O=C([O-])c1cc(CNCc2ccc3c(c2)OCCO3)[nH]n1 ZINC001646227817 1167708409 /nfs/dbraw/zinc/70/84/09/1167708409.db2.gz DDRAJIBYJCKDLD-UHFFFAOYSA-N -1 1 289.291 1.169 20 0 CDADMM COc1cccc([O-])c1C(=O)Nc1nc2cccnc2n1C ZINC001567355852 1168699065 /nfs/dbraw/zinc/69/90/65/1168699065.db2.gz HCOJUGKUTSLDDW-UHFFFAOYSA-N -1 1 298.302 1.935 20 0 CDADMM CCc1cc(CNC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)n[nH]1 ZINC001647721194 1169045711 /nfs/dbraw/zinc/04/57/11/1169045711.db2.gz KRCIZBNENCQLLK-UWVGGRQHSA-N -1 1 294.355 1.367 20 0 CDADMM CCc1cccc(NC(=O)COC(=O)c2cn[n-]n2)c1 ZINC001649800069 1169377352 /nfs/dbraw/zinc/37/73/52/1169377352.db2.gz OMQJBPRUPGWJTP-UHFFFAOYSA-N -1 1 274.280 1.163 20 0 CDADMM CC(=O)c1ccc(CN2CCSC[C@@H]2C(=O)[O-])cc1 ZINC001649881084 1169462787 /nfs/dbraw/zinc/46/27/87/1169462787.db2.gz NVEJYRDEZZDEOZ-CYBMUJFWSA-N -1 1 279.361 1.891 20 0 CDADMM C[C@@H]1CN(C(=O)c2cnc(C3CC3)[nH]2)CC[C@@H]1C(=O)[O-] ZINC001650013887 1169607297 /nfs/dbraw/zinc/60/72/97/1169607297.db2.gz QJCHJWYPWNFAPW-SCZZXKLOSA-N -1 1 277.324 1.470 20 0 CDADMM O=C([O-])[C@@H](NCc1ccsc1)[C@@H](O)Cc1ccccc1 ZINC001650013728 1169607319 /nfs/dbraw/zinc/60/73/19/1169607319.db2.gz FOCJSAJMWYSSQM-KBPBESRZSA-N -1 1 291.372 1.895 20 0 CDADMM CC(C)(C)[C@H]1C[C@H](NCc2nc(C(=O)[O-])n[nH]2)CS1 ZINC001573456124 1170662325 /nfs/dbraw/zinc/66/23/25/1170662325.db2.gz POJYHCPJFCDOTP-JGVFFNPUSA-N -1 1 284.385 1.513 20 0 CDADMM C[C@@H](Cc1ccccc1Cl)NCc1nc(C(=O)[O-])n[nH]1 ZINC001573552372 1170691739 /nfs/dbraw/zinc/69/17/39/1170691739.db2.gz ZUSOAGRFNCRWMB-QMMMGPOBSA-N -1 1 294.742 1.877 20 0 CDADMM O=C([O-])c1cccc(CN[C@]23CC(=O)N[C@H]2CCCC3)n1 ZINC001574434507 1170981481 /nfs/dbraw/zinc/98/14/81/1170981481.db2.gz CITNSVCXJQYAMF-SWLSCSKDSA-N -1 1 289.335 1.071 20 0 CDADMM COc1ccccc1CCC(=O)Nc1c[n-][nH]c1=O ZINC001654600275 1171622769 /nfs/dbraw/zinc/62/27/69/1171622769.db2.gz XDXUGNKKDJCZOL-UHFFFAOYSA-N -1 1 261.281 1.695 20 0 CDADMM Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1c[n-][nH]c1=O ZINC001654603708 1171624842 /nfs/dbraw/zinc/62/48/42/1171624842.db2.gz ZQERMHSEJWAOCM-ZCFIWIBFSA-N -1 1 263.301 1.588 20 0 CDADMM COc1cc(C=O)ccc1Oc1cncc(-c2nnn[n-]2)n1 ZINC001579921229 1172301869 /nfs/dbraw/zinc/30/18/69/1172301869.db2.gz RBNRPLJXHYYFJH-UHFFFAOYSA-N -1 1 298.262 1.270 20 0 CDADMM COc1cc(C=O)ccc1Oc1cncc(-c2nn[n-]n2)n1 ZINC001579921229 1172301876 /nfs/dbraw/zinc/30/18/76/1172301876.db2.gz RBNRPLJXHYYFJH-UHFFFAOYSA-N -1 1 298.262 1.270 20 0 CDADMM COc1ccc(Oc2nnc(C)c(C)c2-c2nn[n-]n2)cn1 ZINC001580048690 1172333944 /nfs/dbraw/zinc/33/39/44/1172333944.db2.gz RHVBSLGBMRBARX-UHFFFAOYSA-N -1 1 299.294 1.469 20 0 CDADMM Cc1cc(CNc2cccc(-c3nnn[n-]3)n2)cc(=O)[nH]1 ZINC001580928478 1172569942 /nfs/dbraw/zinc/56/99/42/1172569942.db2.gz KYWDYMPTBKWDIY-UHFFFAOYSA-N -1 1 283.295 1.283 20 0 CDADMM Cc1cc(CNc2cccc(-c3nn[n-]n3)n2)cc(=O)[nH]1 ZINC001580928478 1172569953 /nfs/dbraw/zinc/56/99/53/1172569953.db2.gz KYWDYMPTBKWDIY-UHFFFAOYSA-N -1 1 283.295 1.283 20 0 CDADMM Cn1ccc2ccc(Nc3ccnc(-c4nnn[n-]4)c3)cc21 ZINC001581791992 1172621100 /nfs/dbraw/zinc/62/11/00/1172621100.db2.gz PWIRDVAEKUVDQF-UHFFFAOYSA-N -1 1 291.318 1.919 20 0 CDADMM Cn1ccc2ccc(Nc3ccnc(-c4nn[n-]n4)c3)cc21 ZINC001581791992 1172621107 /nfs/dbraw/zinc/62/11/07/1172621107.db2.gz PWIRDVAEKUVDQF-UHFFFAOYSA-N -1 1 291.318 1.919 20 0 CDADMM O=C(NC/C=C\Cl)NCc1ccc(-c2nn[n-]n2)s1 ZINC001582493006 1172678815 /nfs/dbraw/zinc/67/88/15/1172678815.db2.gz UNPUXYLTWUMBBC-RJRFIUFISA-N -1 1 298.759 1.480 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCSC1 ZINC001582548150 1172681506 /nfs/dbraw/zinc/68/15/06/1172681506.db2.gz HJUFFVSJRXYWFL-SSDOTTSWSA-N -1 1 295.393 1.298 20 0 CDADMM CN(C(=O)Cc1ccc(F)cc1Cl)c1nn[n-]n1 ZINC001586262510 1172939040 /nfs/dbraw/zinc/93/90/40/1172939040.db2.gz VMGYIYCFOIUFON-UHFFFAOYSA-N -1 1 269.667 1.198 20 0 CDADMM CC(C)(CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001589299747 1173134368 /nfs/dbraw/zinc/13/43/68/1173134368.db2.gz PVTCMXYRDWVNBU-UHFFFAOYSA-N -1 1 274.737 1.159 20 0 CDADMM CC(C)[C@]1(C)C[C@@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001589491682 1173151091 /nfs/dbraw/zinc/15/10/91/1173151091.db2.gz WLFKEHSBGWHHCP-CABZTGNLSA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)[C@]1(C)C[C@@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001589491682 1173151095 /nfs/dbraw/zinc/15/10/95/1173151095.db2.gz WLFKEHSBGWHHCP-CABZTGNLSA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)CC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001589536356 1173155594 /nfs/dbraw/zinc/15/55/94/1173155594.db2.gz LBHWMVBYANNCPU-UHFFFAOYSA-N -1 1 265.342 1.591 20 0 CDADMM CC(C)CN(C)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001589614377 1173163225 /nfs/dbraw/zinc/16/32/25/1173163225.db2.gz XCJWUWDIOHYKIA-UHFFFAOYSA-N -1 1 295.372 1.121 20 0 CDADMM CC(C)CN(C)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001589614377 1173163226 /nfs/dbraw/zinc/16/32/26/1173163226.db2.gz XCJWUWDIOHYKIA-UHFFFAOYSA-N -1 1 295.372 1.121 20 0 CDADMM CC(C)Cn1cc(Nc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001589670457 1173167869 /nfs/dbraw/zinc/16/78/69/1173167869.db2.gz UICDIUOVUYNHSZ-UHFFFAOYSA-N -1 1 285.315 1.253 20 0 CDADMM CC(C)Cn1cc(Nc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001589670457 1173167873 /nfs/dbraw/zinc/16/78/73/1173167873.db2.gz UICDIUOVUYNHSZ-UHFFFAOYSA-N -1 1 285.315 1.253 20 0 CDADMM CC(C)[C@H](CO)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001589763994 1173175717 /nfs/dbraw/zinc/17/57/17/1173175717.db2.gz LXEHHTMBFUYMLJ-QMMMGPOBSA-N -1 1 282.735 1.344 20 0 CDADMM CC(C)[C@H](CO)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001589763994 1173175723 /nfs/dbraw/zinc/17/57/23/1173175723.db2.gz LXEHHTMBFUYMLJ-QMMMGPOBSA-N -1 1 282.735 1.344 20 0 CDADMM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)o1)C(C)(C)C ZINC001589864761 1173189593 /nfs/dbraw/zinc/18/95/93/1173189593.db2.gz TYKUGOZJTBTYCM-MRVPVSSYSA-N -1 1 277.328 1.872 20 0 CDADMM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)o1)C(C)(C)C ZINC001589864761 1173189596 /nfs/dbraw/zinc/18/95/96/1173189596.db2.gz TYKUGOZJTBTYCM-MRVPVSSYSA-N -1 1 277.328 1.872 20 0 CDADMM C[C@@H](N(C)C(=O)c1ccc(-c2nnn[n-]2)o1)C(C)(C)C ZINC001589911596 1173202840 /nfs/dbraw/zinc/20/28/40/1173202840.db2.gz NUPOURHBUXXDCJ-MRVPVSSYSA-N -1 1 277.328 1.966 20 0 CDADMM C[C@@H](N(C)C(=O)c1ccc(-c2nn[n-]n2)o1)C(C)(C)C ZINC001589911596 1173202850 /nfs/dbraw/zinc/20/28/50/1173202850.db2.gz NUPOURHBUXXDCJ-MRVPVSSYSA-N -1 1 277.328 1.966 20 0 CDADMM C[C@H](O)C[C@@H]1CCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001589997181 1173228929 /nfs/dbraw/zinc/22/89/29/1173228929.db2.gz MFEODKJYXUPASA-UWVGGRQHSA-N -1 1 274.328 1.001 20 0 CDADMM C[C@H](O)C[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001589997181 1173228931 /nfs/dbraw/zinc/22/89/31/1173228931.db2.gz MFEODKJYXUPASA-UWVGGRQHSA-N -1 1 274.328 1.001 20 0 CDADMM C[C@@H](O)[C@H](C)n1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001589997635 1173229006 /nfs/dbraw/zinc/22/90/06/1173229006.db2.gz UFOGFWSNJSIYMJ-DTWKUNHWSA-N -1 1 285.307 1.123 20 0 CDADMM CC1(C)CCC[C@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590094973 1173257392 /nfs/dbraw/zinc/25/73/92/1173257392.db2.gz MGQXBWRRJKRXNM-LLVKDONJSA-N -1 1 258.329 1.674 20 0 CDADMM CC1(C)CCC[C@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590094973 1173257397 /nfs/dbraw/zinc/25/73/97/1173257397.db2.gz MGQXBWRRJKRXNM-LLVKDONJSA-N -1 1 258.329 1.674 20 0 CDADMM CC1(C)OCC[C@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590116464 1173262945 /nfs/dbraw/zinc/26/29/45/1173262945.db2.gz CBINKJSVKIJHJN-SECBINFHSA-N -1 1 293.352 1.226 20 0 CDADMM C[C@]1(CCNc2cc(-c3nnn[n-]3)ncn2)C[C@]1(F)Cl ZINC001590127649 1173264343 /nfs/dbraw/zinc/26/43/43/1173264343.db2.gz QKFQSXUQAKSITI-WDEREUQCSA-N -1 1 297.725 1.773 20 0 CDADMM CC1(CC(=O)n2ncc(-c3nn[n-]n3)c2N)CCCC1 ZINC001590123881 1173264389 /nfs/dbraw/zinc/26/43/89/1173264389.db2.gz YBGSLQPLFXXJFK-UHFFFAOYSA-N -1 1 275.316 1.256 20 0 CDADMM C[C@]1(F)CCCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590141154 1173270257 /nfs/dbraw/zinc/27/02/57/1173270257.db2.gz BYQAOJOMBZJJEZ-ZDUSSCGKSA-N -1 1 290.302 1.226 20 0 CDADMM C[C@]1(F)CCCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590141154 1173270262 /nfs/dbraw/zinc/27/02/62/1173270262.db2.gz BYQAOJOMBZJJEZ-ZDUSSCGKSA-N -1 1 290.302 1.226 20 0 CDADMM C[C@]1(c2ccccc2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001590152222 1173274109 /nfs/dbraw/zinc/27/41/09/1173274109.db2.gz SPSSCHRMSLTUSD-SWLSCSKDSA-N -1 1 293.334 1.799 20 0 CDADMM C[C@]1(c2ccccc2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001590152222 1173274114 /nfs/dbraw/zinc/27/41/14/1173274114.db2.gz SPSSCHRMSLTUSD-SWLSCSKDSA-N -1 1 293.334 1.799 20 0 CDADMM C[C@H]1CCC[C@@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590249228 1173318426 /nfs/dbraw/zinc/31/84/26/1173318426.db2.gz PSRXAKFFVBDKFM-ONGXEEELSA-N -1 1 286.339 1.109 20 0 CDADMM C[C@H]1CCC[C@@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590249228 1173318433 /nfs/dbraw/zinc/31/84/33/1173318433.db2.gz PSRXAKFFVBDKFM-ONGXEEELSA-N -1 1 286.339 1.109 20 0 CDADMM C[C@@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001590253751 1173320725 /nfs/dbraw/zinc/32/07/25/1173320725.db2.gz HYPQBUOGARVUNP-SECBINFHSA-N -1 1 259.317 1.426 20 0 CDADMM C[C@H]1CCCCN1C(=O)c1ccsc1-c1nnn[n-]1 ZINC001590259554 1173324400 /nfs/dbraw/zinc/32/44/00/1173324400.db2.gz KSTNYADZLZONRU-QMMMGPOBSA-N -1 1 277.353 1.943 20 0 CDADMM C[C@H]1CCCCN1C(=O)c1ccsc1-c1nn[n-]n1 ZINC001590259554 1173324408 /nfs/dbraw/zinc/32/44/08/1173324408.db2.gz KSTNYADZLZONRU-QMMMGPOBSA-N -1 1 277.353 1.943 20 0 CDADMM CC[C@@H](Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O)OC ZINC001590451650 1173413418 /nfs/dbraw/zinc/41/34/18/1173413418.db2.gz KAVOTCCRACWEFB-JTQLQIEISA-N -1 1 299.334 1.607 20 0 CDADMM CCC(F)(F)CNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590452184 1173413597 /nfs/dbraw/zinc/41/35/97/1173413597.db2.gz SIYCUMXCOVAESV-UHFFFAOYSA-N -1 1 287.295 1.703 20 0 CDADMM CCC(F)(F)CNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590452184 1173413602 /nfs/dbraw/zinc/41/36/02/1173413602.db2.gz SIYCUMXCOVAESV-UHFFFAOYSA-N -1 1 287.295 1.703 20 0 CDADMM CCC(O)(CC)CCNc1cccnc1-c1nnn[n-]1 ZINC001590472977 1173424433 /nfs/dbraw/zinc/42/44/33/1173424433.db2.gz ACTCYBWWMOYLCG-UHFFFAOYSA-N -1 1 276.344 1.615 20 0 CDADMM CCC(O)(CC)CCNc1cccnc1-c1nn[n-]n1 ZINC001590472977 1173424435 /nfs/dbraw/zinc/42/44/35/1173424435.db2.gz ACTCYBWWMOYLCG-UHFFFAOYSA-N -1 1 276.344 1.615 20 0 CDADMM CC[C@H](OC)C(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001590476173 1173428603 /nfs/dbraw/zinc/42/86/03/1173428603.db2.gz BVAFVXYISYVCPL-ZETCQYMHSA-N -1 1 296.356 1.019 20 0 CDADMM CC[C@H](OC)C(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001590476173 1173428614 /nfs/dbraw/zinc/42/86/14/1173428614.db2.gz BVAFVXYISYVCPL-ZETCQYMHSA-N -1 1 296.356 1.019 20 0 CDADMM CC[C@H]1C[C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)CCO1 ZINC001590504343 1173440044 /nfs/dbraw/zinc/44/00/44/1173440044.db2.gz GHZFUNHDVRQWKW-ZJUUUORDSA-N -1 1 291.311 1.147 20 0 CDADMM CC[C@H]1C[C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)CCO1 ZINC001590504343 1173440048 /nfs/dbraw/zinc/44/00/48/1173440048.db2.gz GHZFUNHDVRQWKW-ZJUUUORDSA-N -1 1 291.311 1.147 20 0 CDADMM CCC=CCNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001590531464 1173455451 /nfs/dbraw/zinc/45/54/51/1173455451.db2.gz LQJBFYPSNCWDAP-ONEGZZNKSA-N -1 1 292.730 1.611 20 0 CDADMM CCCn1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001590663932 1173483212 /nfs/dbraw/zinc/48/32/12/1173483212.db2.gz DIGLIUZRRBDBFL-UHFFFAOYSA-N -1 1 298.310 1.121 20 0 CDADMM CCCn1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001590663932 1173483216 /nfs/dbraw/zinc/48/32/16/1173483216.db2.gz DIGLIUZRRBDBFL-UHFFFAOYSA-N -1 1 298.310 1.121 20 0 CDADMM CCOc1cccc(CNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001590841027 1173525185 /nfs/dbraw/zinc/52/51/85/1173525185.db2.gz CRMKIERMBMDWJV-UHFFFAOYSA-N -1 1 296.334 1.694 20 0 CDADMM CCOc1cccc(CNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001590841027 1173525199 /nfs/dbraw/zinc/52/51/99/1173525199.db2.gz CRMKIERMBMDWJV-UHFFFAOYSA-N -1 1 296.334 1.694 20 0 CDADMM CCSCCOC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590853792 1173528711 /nfs/dbraw/zinc/52/87/11/1173528711.db2.gz ZIAMFXCEMZIMGV-UHFFFAOYSA-N -1 1 284.366 1.838 20 0 CDADMM CCSCCOC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590853792 1173528713 /nfs/dbraw/zinc/52/87/13/1173528713.db2.gz ZIAMFXCEMZIMGV-UHFFFAOYSA-N -1 1 284.366 1.838 20 0 CDADMM CC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001590857054 1173529040 /nfs/dbraw/zinc/52/90/40/1173529040.db2.gz PTMLUXASJJXCMD-LLVKDONJSA-N -1 1 299.313 1.781 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](C)[C@H](F)C2)n1 ZINC001590905975 1173538901 /nfs/dbraw/zinc/53/89/01/1173538901.db2.gz UEMZOEIPGBUZAI-RKDXNWHRSA-N -1 1 291.334 1.403 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](C)[C@H](F)C2)n1 ZINC001590905975 1173538906 /nfs/dbraw/zinc/53/89/06/1173538906.db2.gz UEMZOEIPGBUZAI-RKDXNWHRSA-N -1 1 291.334 1.403 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]3C[C@@H]3C2)n1 ZINC001590906229 1173540059 /nfs/dbraw/zinc/54/00/59/1173540059.db2.gz ANEVXFLFLYXRNZ-RKDXNWHRSA-N -1 1 271.328 1.065 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]3C[C@@H]3C2)n1 ZINC001590906229 1173540065 /nfs/dbraw/zinc/54/00/65/1173540065.db2.gz ANEVXFLFLYXRNZ-RKDXNWHRSA-N -1 1 271.328 1.065 20 0 CDADMM CCc1nc(NCCC(C)(F)F)cc(-c2nnn[n-]2)n1 ZINC001590919590 1173543559 /nfs/dbraw/zinc/54/35/59/1173543559.db2.gz NIZGSJGSUYYUNX-UHFFFAOYSA-N -1 1 283.286 1.676 20 0 CDADMM CCc1nc(NCCC(C)(F)F)cc(-c2nn[n-]n2)n1 ZINC001590919590 1173543563 /nfs/dbraw/zinc/54/35/63/1173543563.db2.gz NIZGSJGSUYYUNX-UHFFFAOYSA-N -1 1 283.286 1.676 20 0 CDADMM CCc1nc(N[C@@H]2CCCC[C@@H]2F)cc(-c2nnn[n-]2)n1 ZINC001590922802 1173544573 /nfs/dbraw/zinc/54/45/73/1173544573.db2.gz QGIBTAMCMZHNCB-DTWKUNHWSA-N -1 1 291.334 1.912 20 0 CDADMM CCc1nc(N[C@@H]2CCCC[C@@H]2F)cc(-c2nn[n-]n2)n1 ZINC001590922802 1173544580 /nfs/dbraw/zinc/54/45/80/1173544580.db2.gz QGIBTAMCMZHNCB-DTWKUNHWSA-N -1 1 291.334 1.912 20 0 CDADMM CCc1nc(N[C@@H]2CC=CC[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001590922865 1173544802 /nfs/dbraw/zinc/54/48/02/1173544802.db2.gz UQPUDXUUJVBZMD-NXEZZACHSA-N -1 1 285.355 1.986 20 0 CDADMM CCc1nc(N[C@@H]2CC=CC[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001590922865 1173544805 /nfs/dbraw/zinc/54/48/05/1173544805.db2.gz UQPUDXUUJVBZMD-NXEZZACHSA-N -1 1 285.355 1.986 20 0 CDADMM CN(C(=O)c1ccnc(-c2nnn[n-]2)c1)c1ncccc1F ZINC001590995658 1173560042 /nfs/dbraw/zinc/56/00/42/1173560042.db2.gz JVHGRJHCOLZQSR-UHFFFAOYSA-N -1 1 299.269 1.072 20 0 CDADMM CN(C(=O)c1ccnc(-c2nn[n-]n2)c1)c1ncccc1F ZINC001590995658 1173560045 /nfs/dbraw/zinc/56/00/45/1173560045.db2.gz JVHGRJHCOLZQSR-UHFFFAOYSA-N -1 1 299.269 1.072 20 0 CDADMM CN(CC1CC1)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591053668 1173565098 /nfs/dbraw/zinc/56/50/98/1173565098.db2.gz QYIKGFHNUYQSNX-UHFFFAOYSA-N -1 1 270.749 1.823 20 0 CDADMM CN(CC1CC1)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001591053668 1173565091 /nfs/dbraw/zinc/56/50/91/1173565091.db2.gz QYIKGFHNUYQSNX-UHFFFAOYSA-N -1 1 270.749 1.823 20 0 CDADMM CO[C@H](C(=O)OCc1nc(-c2nnn[n-]2)cs1)C(C)C ZINC001591315663 1173601195 /nfs/dbraw/zinc/60/11/95/1173601195.db2.gz ZFCULAYQVUQDCN-VIFPVBQESA-N -1 1 297.340 1.037 20 0 CDADMM CO[C@H](C(=O)OCc1nc(-c2nn[n-]n2)cs1)C(C)C ZINC001591315663 1173601200 /nfs/dbraw/zinc/60/12/00/1173601200.db2.gz ZFCULAYQVUQDCN-VIFPVBQESA-N -1 1 297.340 1.037 20 0 CDADMM CO[C@@H](C)[C@@H](C)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591325149 1173612743 /nfs/dbraw/zinc/61/27/43/1173612743.db2.gz WRFCNAIOESKDLB-SFYZADRCSA-N -1 1 289.343 1.369 20 0 CDADMM CO[C@@H](C)[C@@H](C)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591325149 1173612746 /nfs/dbraw/zinc/61/27/46/1173612746.db2.gz WRFCNAIOESKDLB-SFYZADRCSA-N -1 1 289.343 1.369 20 0 CDADMM CO[C@H]1CC[C@@H](OC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001591352271 1173625510 /nfs/dbraw/zinc/62/55/10/1173625510.db2.gz WDOYUYWWURWUBD-DTWKUNHWSA-N -1 1 278.268 1.184 20 0 CDADMM CO[C@H]1CC[C@@H](OC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001591352271 1173625513 /nfs/dbraw/zinc/62/55/13/1173625513.db2.gz WDOYUYWWURWUBD-DTWKUNHWSA-N -1 1 278.268 1.184 20 0 CDADMM COC/C(C)=C\COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591371900 1173633986 /nfs/dbraw/zinc/63/39/86/1173633986.db2.gz FRIYLKOTHIJMIE-YVMONPNESA-N -1 1 294.336 1.678 20 0 CDADMM COC/C(C)=C\COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591371900 1173633994 /nfs/dbraw/zinc/63/39/94/1173633994.db2.gz FRIYLKOTHIJMIE-YVMONPNESA-N -1 1 294.336 1.678 20 0 CDADMM COC[C@@H]1CCN(c2ccc(C)c(-c3nnn[n-]3)n2)C1 ZINC001591393795 1173644256 /nfs/dbraw/zinc/64/42/56/1173644256.db2.gz HNVLJZFPMHFATI-SNVBAGLBSA-N -1 1 274.328 1.043 20 0 CDADMM COc1c(-c2nn[n-]n2)ccc(=O)n1CC1CC=CC1 ZINC001591473350 1173659296 /nfs/dbraw/zinc/65/92/96/1173659296.db2.gz BSXXRTXIXFXUGR-UHFFFAOYSA-N -1 1 273.296 1.003 20 0 CDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)c1cncc(F)c1 ZINC001591731486 1173692030 /nfs/dbraw/zinc/69/20/30/1173692030.db2.gz BTQQMQPRRMAFFQ-SSDOTTSWSA-N -1 1 286.274 1.364 20 0 CDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)c1cncc(F)c1 ZINC001591731486 1173692034 /nfs/dbraw/zinc/69/20/34/1173692034.db2.gz BTQQMQPRRMAFFQ-SSDOTTSWSA-N -1 1 286.274 1.364 20 0 CDADMM C[C@H](NC(=O)c1ccsc1-c1nnn[n-]1)C(F)(F)F ZINC001591769485 1173696984 /nfs/dbraw/zinc/69/69/84/1173696984.db2.gz WERGNDABQOFVIJ-BYPYZUCNSA-N -1 1 291.258 1.609 20 0 CDADMM C[C@H](NC(=O)c1ccsc1-c1nn[n-]n1)C(F)(F)F ZINC001591769485 1173696987 /nfs/dbraw/zinc/69/69/87/1173696987.db2.gz WERGNDABQOFVIJ-BYPYZUCNSA-N -1 1 291.258 1.609 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]2C2CCCC2)n1 ZINC001591886716 1173737656 /nfs/dbraw/zinc/73/76/56/1173737656.db2.gz AVARIBNIACFMDE-LBPRGKRZSA-N -1 1 285.355 1.734 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]2C2CCCC2)n1 ZINC001591886716 1173737668 /nfs/dbraw/zinc/73/76/68/1173737668.db2.gz AVARIBNIACFMDE-LBPRGKRZSA-N -1 1 285.355 1.734 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC23CCC3)n1 ZINC001591888664 1173738570 /nfs/dbraw/zinc/73/85/70/1173738570.db2.gz NUKQNTFFQFTLDY-UHFFFAOYSA-N -1 1 271.328 1.488 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC23CCC3)n1 ZINC001591888664 1173738575 /nfs/dbraw/zinc/73/85/75/1173738575.db2.gz NUKQNTFFQFTLDY-UHFFFAOYSA-N -1 1 271.328 1.488 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCc2ccccn2)c1 ZINC001591884549 1173738704 /nfs/dbraw/zinc/73/87/04/1173738704.db2.gz LCASAPGAKJDRLK-UHFFFAOYSA-N -1 1 295.350 1.644 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCc2ccccn2)c1 ZINC001591884549 1173738712 /nfs/dbraw/zinc/73/87/12/1173738712.db2.gz LCASAPGAKJDRLK-UHFFFAOYSA-N -1 1 295.350 1.644 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC2C[C@@H](C)O[C@H](C)C2)n1 ZINC001591892604 1173741620 /nfs/dbraw/zinc/74/16/20/1173741620.db2.gz VOZMNRIQPGUAOS-RKDXNWHRSA-N -1 1 289.343 1.333 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC2C[C@@H](C)O[C@H](C)C2)n1 ZINC001591892604 1173741626 /nfs/dbraw/zinc/74/16/26/1173741626.db2.gz VOZMNRIQPGUAOS-RKDXNWHRSA-N -1 1 289.343 1.333 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(Oc2cncc(Cl)c2)n1 ZINC001591903076 1173743231 /nfs/dbraw/zinc/74/32/31/1173743231.db2.gz HPRDNDAVESGERQ-UHFFFAOYSA-N -1 1 289.686 1.806 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(Oc2cncc(Cl)c2)n1 ZINC001591903076 1173743234 /nfs/dbraw/zinc/74/32/34/1173743234.db2.gz HPRDNDAVESGERQ-UHFFFAOYSA-N -1 1 289.686 1.806 20 0 CDADMM Cc1cc(CNc2n[nH]cc2-c2nnn[n-]2)c(C)s1 ZINC001591969921 1173762629 /nfs/dbraw/zinc/76/26/29/1173762629.db2.gz WRCJUUYJWOPKAR-UHFFFAOYSA-N -1 1 275.341 1.880 20 0 CDADMM Cc1cc(CNc2n[nH]cc2-c2nn[n-]n2)c(C)s1 ZINC001591969921 1173762632 /nfs/dbraw/zinc/76/26/32/1173762632.db2.gz WRCJUUYJWOPKAR-UHFFFAOYSA-N -1 1 275.341 1.880 20 0 CDADMM Cc1cc(F)ncc1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001591993310 1173766909 /nfs/dbraw/zinc/76/69/09/1173766909.db2.gz DBCUEHAQOZAUEA-UHFFFAOYSA-N -1 1 274.263 1.044 20 0 CDADMM Cc1cc(F)ncc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001591993310 1173766914 /nfs/dbraw/zinc/76/69/14/1173766914.db2.gz DBCUEHAQOZAUEA-UHFFFAOYSA-N -1 1 274.263 1.044 20 0 CDADMM Cc1ccc(CNc2ccnc(-c3nnn[n-]3)c2)cc1F ZINC001592167580 1173820812 /nfs/dbraw/zinc/82/08/12/1173820812.db2.gz NATWZWUBPSCDFR-UHFFFAOYSA-N -1 1 284.298 1.743 20 0 CDADMM Cc1ccc(CNc2ccnc(-c3nn[n-]n3)c2)cc1F ZINC001592167580 1173820817 /nfs/dbraw/zinc/82/08/17/1173820817.db2.gz NATWZWUBPSCDFR-UHFFFAOYSA-N -1 1 284.298 1.743 20 0 CDADMM Cc1ccc(CNc2cc(-c3nnn[n-]3)nc(C)n2)nc1 ZINC001592167029 1173821733 /nfs/dbraw/zinc/82/17/33/1173821733.db2.gz VHTCKSUCLLWXMB-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1ccc(CNc2cc(-c3nn[n-]n3)nc(C)n2)nc1 ZINC001592167029 1173821742 /nfs/dbraw/zinc/82/17/42/1173821742.db2.gz VHTCKSUCLLWXMB-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1ccc(N2CCC[C@@H]2C[C@H](C)O)c(-c2nnn[n-]2)n1 ZINC001592176797 1173823565 /nfs/dbraw/zinc/82/35/65/1173823565.db2.gz OHFNUEOKQKUQTP-WDEREUQCSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1ccc(N2CCC[C@@H]2C[C@H](C)O)c(-c2nn[n-]n2)n1 ZINC001592176797 1173823571 /nfs/dbraw/zinc/82/35/71/1173823571.db2.gz OHFNUEOKQKUQTP-WDEREUQCSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1ccc(N2CCC[C@H]([C@@H](C)O)C2)nc1-c1nnn[n-]1 ZINC001592177846 1173826689 /nfs/dbraw/zinc/82/66/89/1173826689.db2.gz LVPKDEQVUZTXTE-MNOVXSKESA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(N2CCC[C@H]([C@@H](C)O)C2)nc1-c1nn[n-]n1 ZINC001592177846 1173826695 /nfs/dbraw/zinc/82/66/95/1173826695.db2.gz LVPKDEQVUZTXTE-MNOVXSKESA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(NCc2ccn(C(C)C)n2)c(-c2nnn[n-]2)n1 ZINC001592184069 1173827885 /nfs/dbraw/zinc/82/78/85/1173827885.db2.gz BDYRLMHLNBMLEE-UHFFFAOYSA-N -1 1 298.354 1.960 20 0 CDADMM Cc1ccc(NCc2ccn(C(C)C)n2)c(-c2nn[n-]n2)n1 ZINC001592184069 1173827888 /nfs/dbraw/zinc/82/78/88/1173827888.db2.gz BDYRLMHLNBMLEE-UHFFFAOYSA-N -1 1 298.354 1.960 20 0 CDADMM Cc1ccc(NCC(C)(C)F)nc1-c1nnn[n-]1 ZINC001592183525 1173827964 /nfs/dbraw/zinc/82/79/64/1173827964.db2.gz SADGZCWCCAQHEI-UHFFFAOYSA-N -1 1 250.281 1.730 20 0 CDADMM Cc1ccc(NCC(C)(C)F)nc1-c1nn[n-]n1 ZINC001592183525 1173827966 /nfs/dbraw/zinc/82/79/66/1173827966.db2.gz SADGZCWCCAQHEI-UHFFFAOYSA-N -1 1 250.281 1.730 20 0 CDADMM Cc1ccc(NC[C@@H]2C[C@@H](C)O[C@H]2C)nc1-c1nnn[n-]1 ZINC001592183312 1173829184 /nfs/dbraw/zinc/82/91/84/1173829184.db2.gz POIWGALOBCBLDV-VWYCJHECSA-N -1 1 288.355 1.796 20 0 CDADMM Cc1ccc(NC[C@@H]2C[C@@H](C)O[C@H]2C)nc1-c1nn[n-]n1 ZINC001592183312 1173829191 /nfs/dbraw/zinc/82/91/91/1173829191.db2.gz POIWGALOBCBLDV-VWYCJHECSA-N -1 1 288.355 1.796 20 0 CDADMM Cc1ccc(NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)c(-c2nnn[n-]2)n1 ZINC001592185497 1173830762 /nfs/dbraw/zinc/83/07/62/1173830762.db2.gz ABCLMIRYYWAZBD-TUAOUCFPSA-N -1 1 298.350 1.573 20 0 CDADMM Cc1ccc(NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)c(-c2nn[n-]n2)n1 ZINC001592185497 1173830765 /nfs/dbraw/zinc/83/07/65/1173830765.db2.gz ABCLMIRYYWAZBD-TUAOUCFPSA-N -1 1 298.350 1.573 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@H]3CC[C@@H]2O3)nc1-c1nnn[n-]1 ZINC001592186071 1173831601 /nfs/dbraw/zinc/83/16/01/1173831601.db2.gz KHJUUVHWIXTPBY-BBBLOLIVSA-N -1 1 272.312 1.302 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@H]3CC[C@@H]2O3)nc1-c1nn[n-]n1 ZINC001592186071 1173831610 /nfs/dbraw/zinc/83/16/10/1173831610.db2.gz KHJUUVHWIXTPBY-BBBLOLIVSA-N -1 1 272.312 1.302 20 0 CDADMM Cc1cccc(O)c1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001592236281 1173836623 /nfs/dbraw/zinc/83/66/23/1173836623.db2.gz IFEHYEQMQDKTKL-UHFFFAOYSA-N -1 1 285.263 1.726 20 0 CDADMM Cc1cccc(O)c1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001592236281 1173836625 /nfs/dbraw/zinc/83/66/25/1173836625.db2.gz IFEHYEQMQDKTKL-UHFFFAOYSA-N -1 1 285.263 1.726 20 0 CDADMM Cc1ccoc1CNc1cncc(-c2nnn[n-]2)n1 ZINC001592283191 1173845759 /nfs/dbraw/zinc/84/57/59/1173845759.db2.gz DBFJXLYLMBITOY-UHFFFAOYSA-N -1 1 257.257 1.170 20 0 CDADMM Cc1nc(NC[C@H]2Cc3ccccc32)cc(-c2nnn[n-]2)n1 ZINC001592386966 1173877199 /nfs/dbraw/zinc/87/71/99/1173877199.db2.gz FITYYSBVPNFRCM-LLVKDONJSA-N -1 1 293.334 1.717 20 0 CDADMM Cc1nc(NC[C@H]2Cc3ccccc32)cc(-c2nn[n-]n2)n1 ZINC001592386966 1173877204 /nfs/dbraw/zinc/87/72/04/1173877204.db2.gz FITYYSBVPNFRCM-LLVKDONJSA-N -1 1 293.334 1.717 20 0 CDADMM Cc1cnc(C)nc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001592408050 1173880608 /nfs/dbraw/zinc/88/06/08/1173880608.db2.gz IZRLPAFWIKTXQL-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1cnc(C)nc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001592408050 1173880613 /nfs/dbraw/zinc/88/06/13/1173880613.db2.gz IZRLPAFWIKTXQL-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1ncccc1CCNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001592417693 1173884856 /nfs/dbraw/zinc/88/48/56/1173884856.db2.gz SVSJVLPUUBBIAN-UHFFFAOYSA-N -1 1 298.306 1.136 20 0 CDADMM Cc1ncccc1CCNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001592417693 1173884862 /nfs/dbraw/zinc/88/48/62/1173884862.db2.gz SVSJVLPUUBBIAN-UHFFFAOYSA-N -1 1 298.306 1.136 20 0 CDADMM Cc1noc(NC(=O)c2coc(-c3nnn[n-]3)c2)c1C ZINC001592462200 1173897382 /nfs/dbraw/zinc/89/73/82/1173897382.db2.gz AHTKSZUTSAXHRG-UHFFFAOYSA-N -1 1 274.240 1.317 20 0 CDADMM Cc1noc(NC(=O)c2coc(-c3nn[n-]n3)c2)c1C ZINC001592462200 1173897384 /nfs/dbraw/zinc/89/73/84/1173897384.db2.gz AHTKSZUTSAXHRG-UHFFFAOYSA-N -1 1 274.240 1.317 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc(C2CSC2)no1 ZINC001592495743 1173906258 /nfs/dbraw/zinc/90/62/58/1173906258.db2.gz PUYZPBCRQGYVOB-UHFFFAOYSA-N -1 1 290.308 1.649 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc(C2CSC2)no1 ZINC001592495743 1173906263 /nfs/dbraw/zinc/90/62/63/1173906263.db2.gz PUYZPBCRQGYVOB-UHFFFAOYSA-N -1 1 290.308 1.649 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@H]1COC(C)(C)C1 ZINC001592502698 1173907858 /nfs/dbraw/zinc/90/78/58/1173907858.db2.gz VTLIRBAAJJWBIC-QMMMGPOBSA-N -1 1 292.295 1.492 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@H]1COC(C)(C)C1 ZINC001592502698 1173907860 /nfs/dbraw/zinc/90/78/60/1173907860.db2.gz VTLIRBAAJJWBIC-QMMMGPOBSA-N -1 1 292.295 1.492 20 0 CDADMM Clc1ccc2c(c1)CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001592533029 1173912779 /nfs/dbraw/zinc/91/27/79/1173912779.db2.gz GQHDBYIXHXQDMY-UHFFFAOYSA-N -1 1 299.725 1.830 20 0 CDADMM Clc1ccc2c(c1)CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001592533029 1173912786 /nfs/dbraw/zinc/91/27/86/1173912786.db2.gz GQHDBYIXHXQDMY-UHFFFAOYSA-N -1 1 299.725 1.830 20 0 CDADMM F[C@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001592632515 1173943612 /nfs/dbraw/zinc/94/36/12/1173943612.db2.gz HAUAZSFUBMIWLU-JGVFFNPUSA-N -1 1 263.280 1.349 20 0 CDADMM F[C@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001592632515 1173943624 /nfs/dbraw/zinc/94/36/24/1173943624.db2.gz HAUAZSFUBMIWLU-JGVFFNPUSA-N -1 1 263.280 1.349 20 0 CDADMM Fc1ccc(C2CN(c3ncncc3-c3nn[n-]n3)C2)cc1 ZINC001592648179 1173953808 /nfs/dbraw/zinc/95/38/08/1173953808.db2.gz AYVAEIGVFSBPMC-UHFFFAOYSA-N -1 1 297.297 1.400 20 0 CDADMM Fc1ccc2c(c1)CCN2c1ncncc1-c1nn[n-]n1 ZINC001592655136 1173954174 /nfs/dbraw/zinc/95/41/74/1173954174.db2.gz RMOQDCUDZHFJQL-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM Fc1ccc2c(c1)CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001592654904 1173956136 /nfs/dbraw/zinc/95/61/36/1173956136.db2.gz MSHLPZNESHINNP-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM Fc1ccc2c(c1)CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001592654904 1173956141 /nfs/dbraw/zinc/95/61/41/1173956141.db2.gz MSHLPZNESHINNP-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM Fc1cccc(OCn2cc(Cl)cn2)c1-c1nnn[n-]1 ZINC001592658399 1173957582 /nfs/dbraw/zinc/95/75/82/1173957582.db2.gz LUHULPDMVDMDOL-UHFFFAOYSA-N -1 1 294.677 1.892 20 0 CDADMM Fc1cccc(OCn2cc(Cl)cn2)c1-c1nn[n-]n1 ZINC001592658399 1173957593 /nfs/dbraw/zinc/95/75/93/1173957593.db2.gz LUHULPDMVDMDOL-UHFFFAOYSA-N -1 1 294.677 1.892 20 0 CDADMM O=C(CC1CCC1)OCc1ccc(-c2nnn[n-]2)o1 ZINC001592820110 1173994999 /nfs/dbraw/zinc/99/49/99/1173994999.db2.gz UBTVCKFIDQBPNV-UHFFFAOYSA-N -1 1 262.269 1.693 20 0 CDADMM O=C(CC1CCC1)OCc1ccc(-c2nn[n-]n2)o1 ZINC001592820110 1173995003 /nfs/dbraw/zinc/99/50/03/1173995003.db2.gz UBTVCKFIDQBPNV-UHFFFAOYSA-N -1 1 262.269 1.693 20 0 CDADMM O=C(N[C@H]1CCCC12CC2)c1cccc(-c2nnn[n-]2)n1 ZINC001592976788 1174010952 /nfs/dbraw/zinc/01/09/52/1174010952.db2.gz IBJTZNIUSJGYME-NSHDSACASA-N -1 1 284.323 1.324 20 0 CDADMM O=C(N[C@H]1CCCC12CC2)c1cccc(-c2nn[n-]n2)n1 ZINC001592976788 1174010958 /nfs/dbraw/zinc/01/09/58/1174010958.db2.gz IBJTZNIUSJGYME-NSHDSACASA-N -1 1 284.323 1.324 20 0 CDADMM O=C(NC[C@@H]1Cc2ccccc21)c1coc(-c2nnn[n-]2)c1 ZINC001593048067 1174018893 /nfs/dbraw/zinc/01/88/93/1174018893.db2.gz XNYVIABYFVATHU-JTQLQIEISA-N -1 1 295.302 1.529 20 0 CDADMM O=C(NC[C@@H]1Cc2ccccc21)c1coc(-c2nn[n-]n2)c1 ZINC001593048067 1174018900 /nfs/dbraw/zinc/01/89/00/1174018900.db2.gz XNYVIABYFVATHU-JTQLQIEISA-N -1 1 295.302 1.529 20 0 CDADMM O=C(NCCC1CCCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593064997 1174021627 /nfs/dbraw/zinc/02/16/27/1174021627.db2.gz JEOLZRQGWHBPBR-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM O=C(NCCC1CCCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593064997 1174021640 /nfs/dbraw/zinc/02/16/40/1174021640.db2.gz JEOLZRQGWHBPBR-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM O=C(NC[C@]12C[C@H]1CCC2)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593114411 1174022772 /nfs/dbraw/zinc/02/27/72/1174022772.db2.gz SFRZRIJUTLXQMT-OTYXRUKQSA-N -1 1 299.338 1.573 20 0 CDADMM O=C(NC[C@]12C[C@H]1CCC2)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593114411 1174022777 /nfs/dbraw/zinc/02/27/77/1174022777.db2.gz SFRZRIJUTLXQMT-OTYXRUKQSA-N -1 1 299.338 1.573 20 0 CDADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)C1(F)CCCC1 ZINC001593150329 1174025585 /nfs/dbraw/zinc/02/55/85/1174025585.db2.gz WEJPLPNMIRNIOK-UHFFFAOYSA-N -1 1 296.331 1.222 20 0 CDADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)C1(F)CCCC1 ZINC001593150329 1174025591 /nfs/dbraw/zinc/02/55/91/1174025591.db2.gz WEJPLPNMIRNIOK-UHFFFAOYSA-N -1 1 296.331 1.222 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC001593255421 1174038998 /nfs/dbraw/zinc/03/89/98/1174038998.db2.gz HGVVPOVLRKYISX-MIMYLULJSA-N -1 1 299.338 1.572 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC001593255421 1174039005 /nfs/dbraw/zinc/03/90/05/1174039005.db2.gz HGVVPOVLRKYISX-MIMYLULJSA-N -1 1 299.338 1.572 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@H]1CCC[C@@H](F)C1 ZINC001593261118 1174041975 /nfs/dbraw/zinc/04/19/75/1174041975.db2.gz RLDGWUWAMKTMIX-NKWVEPMBSA-N -1 1 279.279 1.057 20 0 CDADMM O=C(Nn1cnc2ccccc21)c1coc(-c2nnn[n-]2)c1 ZINC001593277014 1174047018 /nfs/dbraw/zinc/04/70/18/1174047018.db2.gz WYXNJQKHAQKBFC-UHFFFAOYSA-N -1 1 295.262 1.193 20 0 CDADMM O=C(Nn1cnc2ccccc21)c1coc(-c2nn[n-]n2)c1 ZINC001593277014 1174047028 /nfs/dbraw/zinc/04/70/28/1174047028.db2.gz WYXNJQKHAQKBFC-UHFFFAOYSA-N -1 1 295.262 1.193 20 0 CDADMM O=C(OC1CSC1)c1sccc1-c1nn[n-]n1 ZINC001593280339 1174049381 /nfs/dbraw/zinc/04/93/81/1174049381.db2.gz JFJGAQJPYKFVIY-UHFFFAOYSA-N -1 1 268.323 1.200 20 0 CDADMM O=C(OCC1(F)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC001593284101 1174050900 /nfs/dbraw/zinc/05/09/00/1174050900.db2.gz ZUTCUCVKWJXPNJ-UHFFFAOYSA-N -1 1 268.273 1.587 20 0 CDADMM O=C(OCC1(F)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC001593284101 1174050909 /nfs/dbraw/zinc/05/09/09/1174050909.db2.gz ZUTCUCVKWJXPNJ-UHFFFAOYSA-N -1 1 268.273 1.587 20 0 CDADMM O=C(OCC[C@H]1CCOC1)c1coc(-c2nnn[n-]2)c1 ZINC001593287790 1174055509 /nfs/dbraw/zinc/05/55/09/1174055509.db2.gz PXJIKJYBAWCLPA-MRVPVSSYSA-N -1 1 278.268 1.043 20 0 CDADMM O=C(OCC[C@H]1CCOC1)c1coc(-c2nn[n-]n2)c1 ZINC001593287790 1174055515 /nfs/dbraw/zinc/05/55/15/1174055515.db2.gz PXJIKJYBAWCLPA-MRVPVSSYSA-N -1 1 278.268 1.043 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1C[C@@H]2C[C@H]1CS2 ZINC001593338153 1174066213 /nfs/dbraw/zinc/06/62/13/1174066213.db2.gz OKCAPNCVXKGFTA-BQBZGAKWSA-N -1 1 293.377 1.258 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1C[C@@H]2C[C@H]1CS2 ZINC001593338153 1174066217 /nfs/dbraw/zinc/06/62/17/1174066217.db2.gz OKCAPNCVXKGFTA-BQBZGAKWSA-N -1 1 293.377 1.258 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CC[C@@H]1C(F)(F)F ZINC001593359198 1174072072 /nfs/dbraw/zinc/07/20/72/1174072072.db2.gz XPZQNCINFNVUGL-MRVPVSSYSA-N -1 1 298.228 1.039 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CC[C@@H]1C(F)(F)F ZINC001593359198 1174072076 /nfs/dbraw/zinc/07/20/76/1174072076.db2.gz XPZQNCINFNVUGL-MRVPVSSYSA-N -1 1 298.228 1.039 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC2(CCCC2)C1 ZINC001593367715 1174072130 /nfs/dbraw/zinc/07/21/30/1174072130.db2.gz NYGQSPDMGFPWJK-UHFFFAOYSA-N -1 1 287.323 1.866 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC2(CCCC2)C1 ZINC001593367715 1174072134 /nfs/dbraw/zinc/07/21/34/1174072134.db2.gz NYGQSPDMGFPWJK-UHFFFAOYSA-N -1 1 287.323 1.866 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1Cc1cc(F)cc(F)c1 ZINC001593494149 1174086767 /nfs/dbraw/zinc/08/67/67/1174086767.db2.gz GVRATMROGSOXHG-UHFFFAOYSA-N -1 1 289.245 1.355 20 0 CDADMM c1c(N[C@H]2CCCOC2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543548 1174111378 /nfs/dbraw/zinc/11/13/78/1174111378.db2.gz SRPFHWGLNNOADT-VIFPVBQESA-N -1 1 287.327 1.125 20 0 CDADMM c1c(N[C@H]2CCCOC2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543548 1174111380 /nfs/dbraw/zinc/11/13/80/1174111380.db2.gz SRPFHWGLNNOADT-VIFPVBQESA-N -1 1 287.327 1.125 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(-c2nc([C@H]3CCCO3)no2)c1 ZINC001593549977 1174121453 /nfs/dbraw/zinc/12/14/53/1174121453.db2.gz JPDVHKODLDNJCG-SECBINFHSA-N -1 1 285.267 1.163 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(-c2nc([C@H]3CCCO3)no2)c1 ZINC001593549977 1174121456 /nfs/dbraw/zinc/12/14/56/1174121456.db2.gz JPDVHKODLDNJCG-SECBINFHSA-N -1 1 285.267 1.163 20 0 CDADMM c1cc(N2CCCC3(CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001593558334 1174132899 /nfs/dbraw/zinc/13/28/99/1174132899.db2.gz CSXLJEZWWWKUJQ-UHFFFAOYSA-N -1 1 256.313 1.642 20 0 CDADMM c1cc(N2CCCC3(CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001593558334 1174132904 /nfs/dbraw/zinc/13/29/04/1174132904.db2.gz CSXLJEZWWWKUJQ-UHFFFAOYSA-N -1 1 256.313 1.642 20 0 CDADMM c1cc(Sc2cc(-c3nnn[n-]3)ncn2)ccn1 ZINC001593562263 1174138183 /nfs/dbraw/zinc/13/81/83/1174138183.db2.gz GZCNDNKHUOQIKZ-UHFFFAOYSA-N -1 1 257.282 1.203 20 0 CDADMM c1cc(Sc2cc(-c3nn[n-]n3)ncn2)ccn1 ZINC001593562263 1174138186 /nfs/dbraw/zinc/13/81/86/1174138186.db2.gz GZCNDNKHUOQIKZ-UHFFFAOYSA-N -1 1 257.282 1.203 20 0 CDADMM c1ccc([C@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)nc1 ZINC001593571308 1174142587 /nfs/dbraw/zinc/14/25/87/1174142587.db2.gz RPITYTADJFAGBO-CYBMUJFWSA-N -1 1 294.322 1.615 20 0 CDADMM c1ccc([C@H](Nc2cncc(-c3nn[n-]n3)n2)C2CC2)nc1 ZINC001593571308 1174142592 /nfs/dbraw/zinc/14/25/92/1174142592.db2.gz RPITYTADJFAGBO-CYBMUJFWSA-N -1 1 294.322 1.615 20 0 CDADMM c1ccc(C2(CNc3cncc(-c4nnn[n-]4)n3)CC2)nc1 ZINC001593570926 1174143807 /nfs/dbraw/zinc/14/38/07/1174143807.db2.gz KQPNDEZYPGWKFY-UHFFFAOYSA-N -1 1 294.322 1.195 20 0 CDADMM c1ccc(C2(CNc3cncc(-c4nn[n-]n4)n3)CC2)nc1 ZINC001593570926 1174143811 /nfs/dbraw/zinc/14/38/11/1174143811.db2.gz KQPNDEZYPGWKFY-UHFFFAOYSA-N -1 1 294.322 1.195 20 0 CDADMM c1ccc2c(c1)CCCN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001593580655 1174148372 /nfs/dbraw/zinc/14/83/72/1174148372.db2.gz OQVOOWNBCUOCNH-UHFFFAOYSA-N -1 1 293.334 1.610 20 0 CDADMM c1ccc2c(c1)CCCN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001593580655 1174148376 /nfs/dbraw/zinc/14/83/76/1174148376.db2.gz OQVOOWNBCUOCNH-UHFFFAOYSA-N -1 1 293.334 1.610 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@@H]2C[C@H]3CCC[C@H]32)c1 ZINC001593582916 1174151007 /nfs/dbraw/zinc/15/10/07/1174151007.db2.gz GACCVZJVBNLXTQ-FXPVBKGRSA-N -1 1 256.313 1.862 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@@H]2C[C@H]3CCC[C@H]32)c1 ZINC001593582916 1174151012 /nfs/dbraw/zinc/15/10/12/1174151012.db2.gz GACCVZJVBNLXTQ-FXPVBKGRSA-N -1 1 256.313 1.862 20 0 CDADMM c1cnc([C@H]2CCN(c3ccnc(-c4nnn[n-]4)c3)C2)cn1 ZINC001593583449 1174151267 /nfs/dbraw/zinc/15/12/67/1174151267.db2.gz DCLCHHVNPMAKEP-JTQLQIEISA-N -1 1 294.322 1.046 20 0 CDADMM c1cnc([C@H]2CCN(c3ccnc(-c4nn[n-]n4)c3)C2)cn1 ZINC001593583449 1174151271 /nfs/dbraw/zinc/15/12/71/1174151271.db2.gz DCLCHHVNPMAKEP-JTQLQIEISA-N -1 1 294.322 1.046 20 0 CDADMM c1nc(C2CC2)sc1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001593590432 1174158038 /nfs/dbraw/zinc/15/80/38/1174158038.db2.gz RTTCBMQXOOHZIB-UHFFFAOYSA-N -1 1 288.340 1.536 20 0 CDADMM c1nc(C2CC2)sc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001593590432 1174158042 /nfs/dbraw/zinc/15/80/42/1174158042.db2.gz RTTCBMQXOOHZIB-UHFFFAOYSA-N -1 1 288.340 1.536 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(N[C@@H](C2CC2)C2CCC2)n1 ZINC001593592138 1174160766 /nfs/dbraw/zinc/16/07/66/1174160766.db2.gz TZQSPHCHBDBWDG-LLVKDONJSA-N -1 1 271.328 1.647 20 0 CDADMM c1nc(NCCC2CCCC2)cc(-c2nnn[n-]2)n1 ZINC001593590837 1174160794 /nfs/dbraw/zinc/16/07/94/1174160794.db2.gz GBTNFGGISSINHD-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM c1nc(NCCC2CCCC2)cc(-c2nn[n-]n2)n1 ZINC001593590837 1174160799 /nfs/dbraw/zinc/16/07/99/1174160799.db2.gz GBTNFGGISSINHD-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM c1oc(-c2nnn[n-]2)cc1-c1nc(C[C@H]2CCCO2)no1 ZINC001593594758 1174162809 /nfs/dbraw/zinc/16/28/09/1174162809.db2.gz WYUIQLHOQQDVCL-MRVPVSSYSA-N -1 1 288.267 1.231 20 0 CDADMM c1oc(-c2nn[n-]n2)cc1-c1nc(C[C@H]2CCCO2)no1 ZINC001593594758 1174162816 /nfs/dbraw/zinc/16/28/16/1174162816.db2.gz WYUIQLHOQQDVCL-MRVPVSSYSA-N -1 1 288.267 1.231 20 0 CDADMM c1cc2c(cc1Nc1ncncc1-c1nn[n-]n1)CCCO2 ZINC001593594846 1174164447 /nfs/dbraw/zinc/16/44/47/1174164447.db2.gz IORGMGZYIUQFFI-UHFFFAOYSA-N -1 1 295.306 1.725 20 0 CDADMM Cc1cc(CN)oc1C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC001600191344 1174395732 /nfs/dbraw/zinc/39/57/32/1174395732.db2.gz GREDZCHRBPCRKN-JTQLQIEISA-N -1 1 294.332 1.664 20 0 CDADMM Cc1cc(N)nc(N2CCC(CCC(=O)[O-])CC2)n1 ZINC001600237981 1174420886 /nfs/dbraw/zinc/42/08/86/1174420886.db2.gz WZGYLXOESASULU-UHFFFAOYSA-N -1 1 264.329 1.448 20 0 CDADMM CCC(CC)(CO)Nc1ccnc(-c2nnn[n-]2)c1 ZINC000103606233 1174682603 /nfs/dbraw/zinc/68/26/03/1174682603.db2.gz UQTYHWDKPFSONL-UHFFFAOYSA-N -1 1 262.317 1.225 20 0 CDADMM CCC(CC)(CO)Nc1ccnc(-c2nn[n-]n2)c1 ZINC000103606233 1174682604 /nfs/dbraw/zinc/68/26/04/1174682604.db2.gz UQTYHWDKPFSONL-UHFFFAOYSA-N -1 1 262.317 1.225 20 0 CDADMM Cn1nccc1CN1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC001601039904 1174712493 /nfs/dbraw/zinc/71/24/93/1174712493.db2.gz VMOPRHINUHBRQD-FRRDWIJNSA-N -1 1 263.341 1.495 20 0 CDADMM O=C([O-])[C@@H](NC(=O)c1ccc2cncn2c1)c1cccnc1 ZINC001601403417 1174857627 /nfs/dbraw/zinc/85/76/27/1174857627.db2.gz MVISRSBTCYTXFP-ZDUSSCGKSA-N -1 1 296.286 1.285 20 0 CDADMM O=C([O-])c1ccc(C(=O)N[C@@H]2CN3CCC2CC3)cc1F ZINC001601448364 1174873107 /nfs/dbraw/zinc/87/31/07/1174873107.db2.gz OONWQSGZRQYNQU-CYBMUJFWSA-N -1 1 292.310 1.348 20 0 CDADMM O=C([O-])[C@@H](CF)NCc1ccc2c(c1)OC(F)(F)O2 ZINC001601651693 1174931305 /nfs/dbraw/zinc/93/13/05/1174931305.db2.gz VLDJPDZIDJYPOK-SSDOTTSWSA-N -1 1 277.198 1.520 20 0 CDADMM O=C([O-])[C@H](N[C@@H]1CCN(C2CCCCC2)C1=O)C1CC1 ZINC001601666691 1174936578 /nfs/dbraw/zinc/93/65/78/1174936578.db2.gz PSTLOFQHALNXDM-CHWSQXEVSA-N -1 1 280.368 1.373 20 0 CDADMM O=C([O-])[C@H](NCc1cnn(CCF)c1)c1cccnc1 ZINC001601677187 1174942041 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CDADMM C[C@@H](CC(=O)[O-])C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000827295119 602136886 /nfs/dbraw/zinc/13/68/86/602136886.db2.gz DLUDUHJFENJNAM-VIFPVBQESA-N -1 1 288.307 1.199 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cncs1 ZINC000826467369 607599681 /nfs/dbraw/zinc/59/96/81/607599681.db2.gz STOLARUMNUUQGQ-UHFFFAOYSA-N -1 1 288.292 1.075 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cncs1 ZINC000826467369 607599682 /nfs/dbraw/zinc/59/96/82/607599682.db2.gz STOLARUMNUUQGQ-UHFFFAOYSA-N -1 1 288.292 1.075 20 0 CDADMM CC(C)[C@H](C(=O)Nc1cc(C(=O)[O-])cs1)N(C)C ZINC000826676715 604315641 /nfs/dbraw/zinc/31/56/41/604315641.db2.gz JXJODEILALGRPT-SNVBAGLBSA-N -1 1 270.354 1.971 20 0 CDADMM Cc1noc(C)c1CCN(C)[C@@H](COC(C)C)C(=O)[O-] ZINC000833757664 604616624 /nfs/dbraw/zinc/61/66/24/604616624.db2.gz LNSUDSBDBUETBB-ZDUSSCGKSA-N -1 1 284.356 1.644 20 0 CDADMM CNC(=O)C1(NCc2ccc(C(=O)[O-])cc2F)CCCC1 ZINC000833699714 604765832 /nfs/dbraw/zinc/76/58/32/604765832.db2.gz WQDDYVHLGDDCDB-UHFFFAOYSA-N -1 1 294.326 1.672 20 0 CDADMM CCc1oc(C(=O)[O-])cc1CN(C)C1(C(N)=O)CCCC1 ZINC000833677658 604911004 /nfs/dbraw/zinc/91/10/04/604911004.db2.gz AUJKZZMYKJVNIS-UHFFFAOYSA-N -1 1 294.351 1.770 20 0 CDADMM CCc1nc([C@@H](C)NC(=O)c2cccc(C(=O)[O-])c2)n[nH]1 ZINC000820492331 605023181 /nfs/dbraw/zinc/02/31/81/605023181.db2.gz FXYPICWFETYPRZ-MRVPVSSYSA-N -1 1 288.307 1.556 20 0 CDADMM CCN1C[C@@H](C)N(C(=O)c2cncc(C(=O)[O-])c2)C[C@@H]1C ZINC000833657982 605033207 /nfs/dbraw/zinc/03/32/07/605033207.db2.gz OZSIONMIAWFGLA-WDEREUQCSA-N -1 1 291.351 1.335 20 0 CDADMM CCN1C[C@H](C)N(C(=O)[C@@H](C)CC(=O)[O-])C[C@@H]1C ZINC000833655636 605133536 /nfs/dbraw/zinc/13/35/36/605133536.db2.gz FRLUUNIJCXBGTM-DCAQKATOSA-N -1 1 256.346 1.038 20 0 CDADMM CN(Cc1ccc(C(=O)[O-])[nH]1)[C@H]1CCCc2c1cnn2C ZINC000833696388 605111867 /nfs/dbraw/zinc/11/18/67/605111867.db2.gz LBYVSXJVOLJDRU-ZDUSSCGKSA-N -1 1 288.351 1.956 20 0 CDADMM CCN1C[C@H](C)N(C(=O)[C@H](C)CC(=O)[O-])C[C@H]1C ZINC000833655637 605133512 /nfs/dbraw/zinc/13/35/12/605133512.db2.gz FRLUUNIJCXBGTM-MXWKQRLJSA-N -1 1 256.346 1.038 20 0 CDADMM C[C@H]1CN2CCCC[C@@H]2CN1C(=O)CC(C)(C)CC(=O)[O-] ZINC000094446853 605261694 /nfs/dbraw/zinc/26/16/94/605261694.db2.gz WICOINBUWQQJEL-QWHCGFSZSA-N -1 1 296.411 1.963 20 0 CDADMM COc1c(O)cccc1CN1CCSC[C@@H]1CC(=O)[O-] ZINC000833727512 605482920 /nfs/dbraw/zinc/48/29/20/605482920.db2.gz YQYCMKARALXSMI-NSHDSACASA-N -1 1 297.376 1.793 20 0 CDADMM C[C@@H](O)[C@H]1CCN(CC(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000833525379 605698303 /nfs/dbraw/zinc/69/83/03/605698303.db2.gz CHLZMKQFZCZMDO-MNOVXSKESA-N -1 1 292.335 1.026 20 0 CDADMM C[C@H]1C[C@H](O)CN1Cc1cc(C(=O)[O-])ccc1F ZINC000385024216 605842972 /nfs/dbraw/zinc/84/29/72/605842972.db2.gz XVIJZQJBHLFCNP-KWQFWETISA-N -1 1 253.273 1.479 20 0 CDADMM CC[C@H](Nc1cccc(-c2nnn[n-]2)n1)C1CCOCC1 ZINC000820926754 606043121 /nfs/dbraw/zinc/04/31/21/606043121.db2.gz WCPJACSTYFCUNI-NSHDSACASA-N -1 1 288.355 1.879 20 0 CDADMM CC[C@H](Nc1cccc(-c2nn[n-]n2)n1)C1CCOCC1 ZINC000820926754 606043125 /nfs/dbraw/zinc/04/31/25/606043125.db2.gz WCPJACSTYFCUNI-NSHDSACASA-N -1 1 288.355 1.879 20 0 CDADMM C[C@H](CO)CSc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820280385 606090757 /nfs/dbraw/zinc/09/07/57/606090757.db2.gz FAPFXYLPFKUDEH-ZCFIWIBFSA-N -1 1 285.760 1.636 20 0 CDADMM C[C@H](CO)CSc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820280385 606090762 /nfs/dbraw/zinc/09/07/62/606090762.db2.gz FAPFXYLPFKUDEH-ZCFIWIBFSA-N -1 1 285.760 1.636 20 0 CDADMM CCCCN(CCO)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821065610 606468607 /nfs/dbraw/zinc/46/86/07/606468607.db2.gz LDKLLXXNSZDPMN-UHFFFAOYSA-N -1 1 296.762 1.514 20 0 CDADMM CCCCN(CCO)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821065610 606468608 /nfs/dbraw/zinc/46/86/08/606468608.db2.gz LDKLLXXNSZDPMN-UHFFFAOYSA-N -1 1 296.762 1.514 20 0 CDADMM CC(C)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820111580 606499876 /nfs/dbraw/zinc/49/98/76/606499876.db2.gz AMCYUHTYMAROQS-UHFFFAOYSA-N -1 1 251.315 1.409 20 0 CDADMM CC(C)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820111580 606499877 /nfs/dbraw/zinc/49/98/77/606499877.db2.gz AMCYUHTYMAROQS-UHFFFAOYSA-N -1 1 251.315 1.409 20 0 CDADMM C[C@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820696533 606552083 /nfs/dbraw/zinc/55/20/83/606552083.db2.gz AOJJWCOSWPJINN-YUMQZZPRSA-N -1 1 277.353 1.847 20 0 CDADMM C[C@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820696533 606552084 /nfs/dbraw/zinc/55/20/84/606552084.db2.gz AOJJWCOSWPJINN-YUMQZZPRSA-N -1 1 277.353 1.847 20 0 CDADMM CCC1(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCC1 ZINC000820967874 606577840 /nfs/dbraw/zinc/57/78/40/606577840.db2.gz XSXCNNNOJPQHJM-UHFFFAOYSA-N -1 1 290.331 1.054 20 0 CDADMM CCC1(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCC1 ZINC000820967874 606577842 /nfs/dbraw/zinc/57/78/42/606577842.db2.gz XSXCNNNOJPQHJM-UHFFFAOYSA-N -1 1 290.331 1.054 20 0 CDADMM C[C@@H](c1cccnc1)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000824771127 607896927 /nfs/dbraw/zinc/89/69/27/607896927.db2.gz PEPGHIQTIUCBJX-JTQLQIEISA-N -1 1 281.323 1.854 20 0 CDADMM C[C@@H](c1cccnc1)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000824771127 607896928 /nfs/dbraw/zinc/89/69/28/607896928.db2.gz PEPGHIQTIUCBJX-JTQLQIEISA-N -1 1 281.323 1.854 20 0 CDADMM COCc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826164511 607989119 /nfs/dbraw/zinc/98/91/19/607989119.db2.gz DGHQQKWPLFIVDQ-UHFFFAOYSA-N -1 1 297.322 1.415 20 0 CDADMM COCc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826164511 607989120 /nfs/dbraw/zinc/98/91/20/607989120.db2.gz DGHQQKWPLFIVDQ-UHFFFAOYSA-N -1 1 297.322 1.415 20 0 CDADMM Cc1ccc(C)c(C(=O)Cn2ccnc2-c2nnn[n-]2)c1 ZINC000826284362 608013437 /nfs/dbraw/zinc/01/34/37/608013437.db2.gz RLWPNQPZJICPCJ-UHFFFAOYSA-N -1 1 282.307 1.563 20 0 CDADMM Cc1ccc(C)c(C(=O)Cn2ccnc2-c2nn[n-]n2)c1 ZINC000826284362 608013438 /nfs/dbraw/zinc/01/34/38/608013438.db2.gz RLWPNQPZJICPCJ-UHFFFAOYSA-N -1 1 282.307 1.563 20 0 CDADMM Fc1cccc(Oc2nccn3cnnc23)c1-c1nnn[n-]1 ZINC000826378120 608193250 /nfs/dbraw/zinc/19/32/50/608193250.db2.gz VZYGBWQHFHHYGL-UHFFFAOYSA-N -1 1 298.241 1.236 20 0 CDADMM Fc1cccc(Oc2nccn3cnnc23)c1-c1nn[n-]n1 ZINC000826378120 608193251 /nfs/dbraw/zinc/19/32/51/608193251.db2.gz VZYGBWQHFHHYGL-UHFFFAOYSA-N -1 1 298.241 1.236 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1N[C@@H]1CC12CCCCC2 ZINC000826514407 608194955 /nfs/dbraw/zinc/19/49/55/608194955.db2.gz QKCXNACNDQQUTQ-SNVBAGLBSA-N -1 1 271.328 1.791 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1N[C@@H]1CC12CCCCC2 ZINC000826514407 608194956 /nfs/dbraw/zinc/19/49/56/608194956.db2.gz QKCXNACNDQQUTQ-SNVBAGLBSA-N -1 1 271.328 1.791 20 0 CDADMM Cc1ccccc1Oc1ccc(-c2nnn[n-]2)nn1 ZINC000826307654 608388664 /nfs/dbraw/zinc/38/86/64/608388664.db2.gz RBBMRFUTFJGUST-UHFFFAOYSA-N -1 1 254.253 1.757 20 0 CDADMM Cc1ccccc1Oc1ccc(-c2nn[n-]n2)nn1 ZINC000826307654 608388666 /nfs/dbraw/zinc/38/86/66/608388666.db2.gz RBBMRFUTFJGUST-UHFFFAOYSA-N -1 1 254.253 1.757 20 0 CDADMM C[C@H]1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824928207 608396643 /nfs/dbraw/zinc/39/66/43/608396643.db2.gz SGJCDATZDDGEKU-VHSXEESVSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000824947774 608406436 /nfs/dbraw/zinc/40/64/36/608406436.db2.gz QVFXHHLBFRZWHD-SECBINFHSA-N -1 1 259.317 1.283 20 0 CDADMM C[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000824947774 608406438 /nfs/dbraw/zinc/40/64/38/608406438.db2.gz QVFXHHLBFRZWHD-SECBINFHSA-N -1 1 259.317 1.283 20 0 CDADMM CC(C)c1cc(CNc2ccc(-c3nnn[n-]3)nn2)on1 ZINC000824342584 608418684 /nfs/dbraw/zinc/41/86/84/608418684.db2.gz QEVOUBUTEYGVAN-UHFFFAOYSA-N -1 1 286.299 1.380 20 0 CDADMM CC(C)c1cc(CNc2ccc(-c3nn[n-]n3)nn2)on1 ZINC000824342584 608418685 /nfs/dbraw/zinc/41/86/85/608418685.db2.gz QEVOUBUTEYGVAN-UHFFFAOYSA-N -1 1 286.299 1.380 20 0 CDADMM CC(C)[C@@H]1OCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824229149 608428409 /nfs/dbraw/zinc/42/84/09/608428409.db2.gz OLFLAVYYXHZPII-SKDRFNHKSA-N -1 1 289.343 1.130 20 0 CDADMM CC(C)[C@@H]1OCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824229149 608428411 /nfs/dbraw/zinc/42/84/11/608428411.db2.gz OLFLAVYYXHZPII-SKDRFNHKSA-N -1 1 289.343 1.130 20 0 CDADMM CCN(Cc1ccccn1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825439946 608430560 /nfs/dbraw/zinc/43/05/60/608430560.db2.gz VBCKITPKVKFJGQ-UHFFFAOYSA-N -1 1 282.311 1.078 20 0 CDADMM CCN(Cc1ccccn1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825439946 608430561 /nfs/dbraw/zinc/43/05/61/608430561.db2.gz VBCKITPKVKFJGQ-UHFFFAOYSA-N -1 1 282.311 1.078 20 0 CDADMM Cc1cnccc1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826319787 608437340 /nfs/dbraw/zinc/43/73/40/608437340.db2.gz SGEQMBQZHLGECF-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1cnccc1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826319787 608437342 /nfs/dbraw/zinc/43/73/42/608437342.db2.gz SGEQMBQZHLGECF-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM CC(C)Oc1cccc(Cn2ccnc2-c2nnn[n-]2)c1 ZINC000824334282 608887661 /nfs/dbraw/zinc/88/76/61/608887661.db2.gz ULHMWNDXYDTXHO-UHFFFAOYSA-N -1 1 284.323 1.899 20 0 CDADMM CC(C)Oc1cccc(Cn2ccnc2-c2nn[n-]n2)c1 ZINC000824334282 608887664 /nfs/dbraw/zinc/88/76/64/608887664.db2.gz ULHMWNDXYDTXHO-UHFFFAOYSA-N -1 1 284.323 1.899 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CNc1cnc2c(c1)COCC2 ZINC000826526865 609188897 /nfs/dbraw/zinc/18/88/97/609188897.db2.gz PWUOTJJJNJNOEN-UHFFFAOYSA-N -1 1 298.306 1.540 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1CNc1cnc2c(c1)COCC2 ZINC000826526865 609188900 /nfs/dbraw/zinc/18/89/00/609188900.db2.gz PWUOTJJJNJNOEN-UHFFFAOYSA-N -1 1 298.306 1.540 20 0 CDADMM CC[C@H]1c2ccccc2CN1C(=O)CCc1nn[n-]n1 ZINC000890614500 617233573 /nfs/dbraw/zinc/23/35/73/617233573.db2.gz CJABCPBGWSKSJZ-LBPRGKRZSA-N -1 1 271.324 1.626 20 0 CDADMM O=C(CCCc1nn[n-]n1)N[C@H](c1ccncc1)C1CC1 ZINC000890900946 617346697 /nfs/dbraw/zinc/34/66/97/617346697.db2.gz AYKHFAXPDXSZJZ-AWEZNQCLSA-N -1 1 286.339 1.185 20 0 CDADMM COCc1nc(NCCCOC(C)C)cc(=O)[n-]1 ZINC000891449211 617405299 /nfs/dbraw/zinc/40/52/99/617405299.db2.gz OGAYDGHRTUNKEX-UHFFFAOYSA-N -1 1 255.318 1.556 20 0 CDADMM COC(=O)C[C@@H]1CC[C@H](NC(=O)c2c([O-])cccc2F)C1 ZINC000891298836 617407530 /nfs/dbraw/zinc/40/75/30/617407530.db2.gz RGYPRHKKCVQOQN-ZJUUUORDSA-N -1 1 295.310 1.993 20 0 CDADMM COCc1nc(NC[C@@]2(C)CCOC2)cc(=O)[n-]1 ZINC000892509897 617451607 /nfs/dbraw/zinc/45/16/07/617451607.db2.gz DOXUZYPPAYWXFQ-GFCCVEGCSA-N -1 1 253.302 1.167 20 0 CDADMM CO[C@@H](C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)C1CCC1 ZINC000891612969 617504508 /nfs/dbraw/zinc/50/45/08/617504508.db2.gz FGPKPKRAVNGGLO-GFCCVEGCSA-N -1 1 291.351 1.815 20 0 CDADMM C[C@H]1CO[C@@H](C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)C1 ZINC000891615732 617506943 /nfs/dbraw/zinc/50/69/43/617506943.db2.gz LVHOBXLRJGFGEP-LDYMZIIASA-N -1 1 277.324 1.425 20 0 CDADMM COCC1(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CCC1 ZINC000891618275 617507161 /nfs/dbraw/zinc/50/71/61/617507161.db2.gz OMNUNZAZZJVOGY-UHFFFAOYSA-N -1 1 291.351 1.816 20 0 CDADMM CN(C(=O)[C@H]1CCc2c1cccc2Cl)c1nn[n-]n1 ZINC000892955301 617972515 /nfs/dbraw/zinc/97/25/15/617972515.db2.gz ZEBMJHMNOXQDJY-VIFPVBQESA-N -1 1 277.715 1.546 20 0 CDADMM CCC(CC)n1nc(C)cc1C(=O)N(C)c1nn[n-]n1 ZINC000892954840 617978953 /nfs/dbraw/zinc/97/89/53/617978953.db2.gz SIZHAXNXXUZLJX-UHFFFAOYSA-N -1 1 277.332 1.342 20 0 CDADMM O=C([O-])C1(NC(=O)c2cccc3nc[nH]c32)CCC1 ZINC000909336396 617744401 /nfs/dbraw/zinc/74/44/01/617744401.db2.gz UCBKMLLCXLCFPY-UHFFFAOYSA-N -1 1 259.265 1.300 20 0 CDADMM O=C(CCCc1nn[n-]n1)N(Cc1ccoc1)C1CC1 ZINC000889088892 617811078 /nfs/dbraw/zinc/81/10/78/617811078.db2.gz IAZYKJDYIRFORT-UHFFFAOYSA-N -1 1 275.312 1.307 20 0 CDADMM CCNC(=O)C1(CNc2cc(=O)[n-]c(COC)n2)CCC1 ZINC000893472018 617964511 /nfs/dbraw/zinc/96/45/11/617964511.db2.gz XNEBLGASHBOAJU-UHFFFAOYSA-N -1 1 294.355 1.047 20 0 CDADMM Cc1ccoc1CN[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000901830683 618279332 /nfs/dbraw/zinc/27/93/32/618279332.db2.gz DMJBETRCQHMKJK-CMPLNLGQSA-N -1 1 253.298 1.557 20 0 CDADMM CCN1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)CC1 ZINC000901948471 618382138 /nfs/dbraw/zinc/38/21/38/618382138.db2.gz ZAQJXXBCLGAHTB-GQCTYLIASA-N -1 1 278.308 1.155 20 0 CDADMM C[C@H]1CCN(S(=O)(=O)[N-]c2nn(C)c3ccccc32)C1 ZINC000901985595 618420989 /nfs/dbraw/zinc/42/09/89/618420989.db2.gz 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/nfs/dbraw/zinc/64/98/34/630649834.db2.gz ZQVFKDHIDUYMBJ-RNCFNFMXSA-N -1 1 257.330 1.513 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N=S(C)(C)=O ZINC000913643927 630726851 /nfs/dbraw/zinc/72/68/51/630726851.db2.gz UBXVJYOYOKLSJR-UHFFFAOYSA-N -1 1 271.342 1.482 20 0 CDADMM Cn1ccnc1SCCC[N-]C(=O)C(F)(F)F ZINC000151726271 630734774 /nfs/dbraw/zinc/73/47/74/630734774.db2.gz OQNUZASUAKMCRU-UHFFFAOYSA-N -1 1 267.276 1.581 20 0 CDADMM O=C(c1cc2ccccc2o1)N1CCC(c2nn[n-]n2)CC1 ZINC000913742081 630741934 /nfs/dbraw/zinc/74/19/34/630741934.db2.gz GGTWDPUZHDATKT-UHFFFAOYSA-N -1 1 297.318 1.966 20 0 CDADMM CCc1c(C(=O)N2CCC(c3nn[n-]n3)CC2)ccn1C ZINC000913745183 630742918 /nfs/dbraw/zinc/74/29/18/630742918.db2.gz SHBTTZUDOGDPJY-UHFFFAOYSA-N -1 1 288.355 1.120 20 0 CDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913745700 630743460 /nfs/dbraw/zinc/74/34/60/630743460.db2.gz BOMDBXVJDNNDHR-QMTHXVAHSA-N -1 1 277.372 1.732 20 0 CDADMM COC[C@@](C)(CC(=O)[O-])NCc1ncc(Cl)n1C ZINC000831584985 631082833 /nfs/dbraw/zinc/08/28/33/631082833.db2.gz JYSCPBPJSLPYPH-LLVKDONJSA-N -1 1 275.736 1.043 20 0 CDADMM CC(C)(C)N1C[C@@H](C(=O)[N-]OCc2ccccc2)CC1=O ZINC000914751225 631560848 /nfs/dbraw/zinc/56/08/48/631560848.db2.gz PKWHDSGBEURHGC-ZDUSSCGKSA-N -1 1 290.363 1.881 20 0 CDADMM CCc1ccc(OS(=O)(=O)c2c[n-]cn2)cc1 ZINC000153880637 631934985 /nfs/dbraw/zinc/93/49/85/631934985.db2.gz QHXRFJJONFGZKU-UHFFFAOYSA-N -1 1 252.295 1.740 20 0 CDADMM CC(C)(C)c1ncc(Nc2[n-]c(=O)nc3nc[nH]c32)cn1 ZINC001170228874 1162317598 /nfs/dbraw/zinc/31/75/98/1162317598.db2.gz MKEGXDNFTCDWIC-UHFFFAOYSA-N -1 1 285.311 1.890 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2nccnc2OC(F)F)[n-]1 ZINC001170227876 1162317811 /nfs/dbraw/zinc/31/78/11/1162317811.db2.gz WTFPEQXRNVKBOB-UHFFFAOYSA-N -1 1 295.209 1.194 20 0 CDADMM Cc1c(CC[NH3+])c(=O)[n-]n1-c1ccccc1C=CC(=O)[O-] ZINC001170342188 1162347371 /nfs/dbraw/zinc/34/73/71/1162347371.db2.gz CSUQZYKJBSNNOP-VOTSOKGWSA-N -1 1 287.319 1.485 20 0 CDADMM C[C@H]1CCC[C@H]1CNC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806487194 1162683919 /nfs/dbraw/zinc/68/39/19/1162683919.db2.gz SOQNNKYPFYNBMX-QWRGUYRKSA-N -1 1 287.367 1.900 20 0 CDADMM CC(C)CN1C[C@H](C(=O)[N-]OC(C)(C)C)CC1=O ZINC000149041563 1160526832 /nfs/dbraw/zinc/52/68/32/1160526832.db2.gz HWASXZBVAQHNLX-SNVBAGLBSA-N -1 1 256.346 1.337 20 0 CDADMM C[C@@H](NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)C1CCC1 ZINC001604285009 1163140925 /nfs/dbraw/zinc/14/09/25/1163140925.db2.gz WMSDDFCHHJXFJQ-NWDGAFQWSA-N -1 1 297.399 1.365 20 0 CDADMM CC[N@@H+](Cc1ccc(C)c(-c2nn[nH]n2)c1)[C@@H](C)C(=O)[O-] ZINC001604321795 1163148068 /nfs/dbraw/zinc/14/80/68/1163148068.db2.gz OJIIWTHDBYXPML-JTQLQIEISA-N -1 1 289.339 1.470 20 0 CDADMM C[C@@H]([NH2+]CCC(C)(C)C(=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001604337549 1163155796 /nfs/dbraw/zinc/15/57/96/1163155796.db2.gz GGVLQYYHRMGVFO-ZCFIWIBFSA-N -1 1 294.277 1.975 20 0 CDADMM C[C@@H](N[C@H]1CCCNC1=O)c1ccccc1OCC(=O)[O-] ZINC001604357725 1163163382 /nfs/dbraw/zinc/16/33/82/1163163382.db2.gz OYTUUYDSOHSSEY-PWSUYJOCSA-N -1 1 292.335 1.079 20 0 CDADMM C[C@H]([NH2+]Cc1nnc[n-]1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001604350847 1163162902 /nfs/dbraw/zinc/16/29/02/1163162902.db2.gz XVMZEMGLNRXGET-JQWIXIFHSA-N -1 1 274.324 1.226 20 0 CDADMM C[C@](O)(CNCc1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001604375334 1163167536 /nfs/dbraw/zinc/16/75/36/1163167536.db2.gz AVIYRSOJTNJBMW-AWEZNQCLSA-N -1 1 292.360 1.839 20 0 CDADMM CCNc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)o2)cn1 ZINC001604360165 1163164376 /nfs/dbraw/zinc/16/43/76/1163164376.db2.gz FTKAXKYKDWNTBX-UHFFFAOYSA-N -1 1 299.294 1.539 20 0 CDADMM CCNc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)cn1 ZINC001604360165 1163164379 /nfs/dbraw/zinc/16/43/79/1163164379.db2.gz FTKAXKYKDWNTBX-UHFFFAOYSA-N -1 1 299.294 1.539 20 0 CDADMM C[C@H](Nc1cnn(-c2ccncc2)c1)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001604364354 1163164451 /nfs/dbraw/zinc/16/44/51/1163164451.db2.gz MMPNEIUMPCTXMP-XDTLVQLUSA-N -1 1 272.308 1.788 20 0 CDADMM Cc1cc2c(c(-c3ccc(O)cc3F)n1)C(=O)[N-]C2=O ZINC001206037750 1162144283 /nfs/dbraw/zinc/14/42/83/1162144283.db2.gz NTOOHUSWOVHNKD-UHFFFAOYSA-N -1 1 272.235 1.785 20 0 CDADMM CCOC1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001604411975 1163180655 /nfs/dbraw/zinc/18/06/55/1163180655.db2.gz JBIUBWCYJYJAPB-UHFFFAOYSA-N -1 1 291.311 1.101 20 0 CDADMM CCOC1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001604411975 1163180659 /nfs/dbraw/zinc/18/06/59/1163180659.db2.gz JBIUBWCYJYJAPB-UHFFFAOYSA-N -1 1 291.311 1.101 20 0 CDADMM CCOc1ccccc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001604465574 1163192907 /nfs/dbraw/zinc/19/29/07/1163192907.db2.gz MXPYMMWVWNOOII-UHFFFAOYSA-N -1 1 299.294 1.241 20 0 CDADMM CCOc1ccccc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001604465574 1163192915 /nfs/dbraw/zinc/19/29/15/1163192915.db2.gz MXPYMMWVWNOOII-UHFFFAOYSA-N -1 1 299.294 1.241 20 0 CDADMM CCc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)s1 ZINC001604520060 1163216396 /nfs/dbraw/zinc/21/63/96/1163216396.db2.gz USHCIALPPLMKCY-UHFFFAOYSA-N -1 1 289.324 1.466 20 0 CDADMM CCc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)s1 ZINC001604520060 1163216400 /nfs/dbraw/zinc/21/64/00/1163216400.db2.gz USHCIALPPLMKCY-UHFFFAOYSA-N -1 1 289.324 1.466 20 0 CDADMM CC1(C)CN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCN1 ZINC001604540463 1163226003 /nfs/dbraw/zinc/22/60/03/1163226003.db2.gz ODQOPKJLWRNWAP-UHFFFAOYSA-N -1 1 295.314 1.740 20 0 CDADMM CN(CC1=CCCOC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001604728158 1163299770 /nfs/dbraw/zinc/29/97/70/1163299770.db2.gz BXJVXLYADVZFSZ-UHFFFAOYSA-N -1 1 272.312 1.045 20 0 CDADMM CN(CC1=CCCOC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001604728158 1163299774 /nfs/dbraw/zinc/29/97/74/1163299774.db2.gz BXJVXLYADVZFSZ-UHFFFAOYSA-N -1 1 272.312 1.045 20 0 CDADMM CN(Cc1cccc(-c2nnn[n-]2)n1)c1cccc(O)c1 ZINC001604816182 1163336551 /nfs/dbraw/zinc/33/65/51/1163336551.db2.gz UPEWWZWMQBXMDT-UHFFFAOYSA-N -1 1 282.307 1.604 20 0 CDADMM CN(Cc1cccc(-c2nn[n-]n2)n1)c1cccc(O)c1 ZINC001604816182 1163336557 /nfs/dbraw/zinc/33/65/57/1163336557.db2.gz UPEWWZWMQBXMDT-UHFFFAOYSA-N -1 1 282.307 1.604 20 0 CDADMM COC[C@H]1CCCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001605072511 1163441763 /nfs/dbraw/zinc/44/17/63/1163441763.db2.gz NMPYDLLNCRUDCF-NSHDSACASA-N -1 1 288.355 1.515 20 0 CDADMM COC[C@H]1CCCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001605072511 1163441767 /nfs/dbraw/zinc/44/17/67/1163441767.db2.gz NMPYDLLNCRUDCF-NSHDSACASA-N -1 1 288.355 1.515 20 0 CDADMM C[C@H](Nc1cc(-c2nnn[n-]2)ncn1)C1CCCC1 ZINC001605441943 1163564971 /nfs/dbraw/zinc/56/49/71/1163564971.db2.gz SHVIILKLORIOSW-QMMMGPOBSA-N -1 1 259.317 1.647 20 0 CDADMM CCN(Cc1nc2cc(C(=O)[O-])ccc2[nH]1)[C@H](C)CO ZINC001605462753 1163572821 /nfs/dbraw/zinc/57/28/21/1163572821.db2.gz BGNPWPPOUKLKAO-SECBINFHSA-N -1 1 277.324 1.464 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](C(C)(C)O)C2)c1 ZINC001605560015 1163609403 /nfs/dbraw/zinc/60/94/03/1163609403.db2.gz MQHPNYFNPHHCAK-SNVBAGLBSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](C(C)(C)O)C2)c1 ZINC001605560015 1163609407 /nfs/dbraw/zinc/60/94/07/1163609407.db2.gz MQHPNYFNPHHCAK-SNVBAGLBSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](C)[C@@H]2C)n1 ZINC001605559812 1163609707 /nfs/dbraw/zinc/60/97/07/1163609707.db2.gz JYXJSGUYFZTNRK-CBAPKCEASA-N -1 1 259.317 1.200 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](C)[C@@H]2C)n1 ZINC001605559812 1163609701 /nfs/dbraw/zinc/60/97/01/1163609701.db2.gz JYXJSGUYFZTNRK-CBAPKCEASA-N -1 1 259.317 1.200 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCCCOC(C)C)n1 ZINC001605578141 1163614804 /nfs/dbraw/zinc/61/48/04/1163614804.db2.gz GTTUICDTCURZOR-UHFFFAOYSA-N -1 1 277.332 1.192 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCCCOC(C)C)n1 ZINC001605578141 1163614806 /nfs/dbraw/zinc/61/48/06/1163614806.db2.gz GTTUICDTCURZOR-UHFFFAOYSA-N -1 1 277.332 1.192 20 0 CDADMM CCOC[C@@H]1CCN(Cc2cnc(C(=O)[O-])cn2)C1 ZINC001605626353 1163629569 /nfs/dbraw/zinc/62/95/69/1163629569.db2.gz TZWBUAPWHKIKPS-SNVBAGLBSA-N -1 1 265.313 1.033 20 0 CDADMM Cc1cc(C)cc([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001605644014 1163632123 /nfs/dbraw/zinc/63/21/23/1163632123.db2.gz IGSCANBPBMMUCV-LLVKDONJSA-N -1 1 295.350 1.869 20 0 CDADMM Cc1cc(N[C@H]2CCS[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001605724035 1163651897 /nfs/dbraw/zinc/65/18/97/1163651897.db2.gz QQOHJPOZJRMXAX-WPRPVWTQSA-N -1 1 276.369 1.298 20 0 CDADMM Cc1cc(N[C@H]2CCS[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001605724035 1163651900 /nfs/dbraw/zinc/65/19/00/1163651900.db2.gz QQOHJPOZJRMXAX-WPRPVWTQSA-N -1 1 276.369 1.298 20 0 CDADMM Cc1cc(NC[C@@H]2CCCC[C@H]2O)nc(-c2nnn[n-]2)c1 ZINC001605737191 1163655438 /nfs/dbraw/zinc/65/54/38/1163655438.db2.gz BOTAVKUFPRGSIY-CMPLNLGQSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1cc(NC[C@@H]2CCCC[C@H]2O)nc(-c2nn[n-]n2)c1 ZINC001605737191 1163655441 /nfs/dbraw/zinc/65/54/41/1163655441.db2.gz BOTAVKUFPRGSIY-CMPLNLGQSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N(C)CC1(C)COC1 ZINC001605802695 1163675639 /nfs/dbraw/zinc/67/56/39/1163675639.db2.gz CORYRLYHDZYHHY-UHFFFAOYSA-N -1 1 274.328 1.043 20 0 CDADMM CCc1cc(=O)[n-]c(C[N@@H+]2CCCCC[C@H]2C(=O)[O-])n1 ZINC001605800191 1163675742 /nfs/dbraw/zinc/67/57/42/1163675742.db2.gz OPTRKIWOGXPSDS-NSHDSACASA-N -1 1 279.340 1.574 20 0 CDADMM CCc1cc(=O)[n-]c(C[N@H+]2CCCCC[C@H]2C(=O)[O-])n1 ZINC001605800191 1163675745 /nfs/dbraw/zinc/67/57/45/1163675745.db2.gz OPTRKIWOGXPSDS-NSHDSACASA-N -1 1 279.340 1.574 20 0 CDADMM Cc1ccc(N2C[C@H](C)C[C@H](CO)C2)nc1-c1nnn[n-]1 ZINC001605864448 1163696091 /nfs/dbraw/zinc/69/60/91/1163696091.db2.gz DLQGQYYWRLUHHC-KOLCDFICSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(N2C[C@H](C)C[C@H](CO)C2)nc1-c1nn[n-]n1 ZINC001605864448 1163696095 /nfs/dbraw/zinc/69/60/95/1163696095.db2.gz DLQGQYYWRLUHHC-KOLCDFICSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccccc1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001605939613 1163720909 /nfs/dbraw/zinc/72/09/09/1163720909.db2.gz ABDPTZIRXKKCCY-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1ccccc1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001605939613 1163720915 /nfs/dbraw/zinc/72/09/15/1163720915.db2.gz ABDPTZIRXKKCCY-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1csc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)n1 ZINC001606007127 1163741264 /nfs/dbraw/zinc/74/12/64/1163741264.db2.gz KCHQALWSGYOVMH-UHFFFAOYSA-N -1 1 290.308 1.785 20 0 CDADMM Cc1csc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)n1 ZINC001606007127 1163741272 /nfs/dbraw/zinc/74/12/72/1163741272.db2.gz KCHQALWSGYOVMH-UHFFFAOYSA-N -1 1 290.308 1.785 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2C[C@H](C)C[C@@H](C)C2)n1 ZINC001606019268 1163745660 /nfs/dbraw/zinc/74/56/60/1163745660.db2.gz CIFWFHOTIXDCBG-RKDXNWHRSA-N -1 1 273.344 1.447 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2C[C@H](C)C[C@@H](C)C2)n1 ZINC001606019268 1163745666 /nfs/dbraw/zinc/74/56/66/1163745666.db2.gz CIFWFHOTIXDCBG-RKDXNWHRSA-N -1 1 273.344 1.447 20 0 CDADMM CN(C)c1ccc(F)cc1CN[C@@H](CF)C(=O)[O-] ZINC001606056035 1163759137 /nfs/dbraw/zinc/75/91/37/1163759137.db2.gz UQMVYOIWJGWDDB-JTQLQIEISA-N -1 1 258.268 1.404 20 0 CDADMM Cc1nc(NCCCC2CCC2)cc(-c2nnn[n-]2)n1 ZINC001606071893 1163763695 /nfs/dbraw/zinc/76/36/95/1163763695.db2.gz RCSCXHAPMKSAGS-UHFFFAOYSA-N -1 1 273.344 1.957 20 0 CDADMM Cc1nc(NCCCC2CCC2)cc(-c2nn[n-]n2)n1 ZINC001606071893 1163763700 /nfs/dbraw/zinc/76/37/00/1163763700.db2.gz RCSCXHAPMKSAGS-UHFFFAOYSA-N -1 1 273.344 1.957 20 0 CDADMM Cc1ncc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)o1 ZINC001606089412 1163770722 /nfs/dbraw/zinc/77/07/22/1163770722.db2.gz NMKRNUBZJCIZTK-UHFFFAOYSA-N -1 1 286.299 1.376 20 0 CDADMM Cc1ncc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)o1 ZINC001606089412 1163770728 /nfs/dbraw/zinc/77/07/28/1163770728.db2.gz NMKRNUBZJCIZTK-UHFFFAOYSA-N -1 1 286.299 1.376 20 0 CDADMM Cc1nsc(N[C@H]2CCOC[C@@H]2C)c1-c1nn[n-]n1 ZINC001606155785 1163792544 /nfs/dbraw/zinc/79/25/44/1163792544.db2.gz GVQLDGJKGAJECX-XPUUQOCRSA-N -1 1 280.357 1.469 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc([C@@H]2C[C@@H]2C)no1 ZINC001606164884 1163795325 /nfs/dbraw/zinc/79/53/25/1163795325.db2.gz IDDODNJEANEBBC-CAHLUQPWSA-N -1 1 272.268 1.942 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc([C@@H]2C[C@@H]2C)no1 ZINC001606164884 1163795334 /nfs/dbraw/zinc/79/53/34/1163795334.db2.gz IDDODNJEANEBBC-CAHLUQPWSA-N -1 1 272.268 1.942 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC1=CCCCC1 ZINC001606167711 1163797620 /nfs/dbraw/zinc/79/76/20/1163797620.db2.gz USAYHYKTWBKJDT-UHFFFAOYSA-N -1 1 287.323 1.998 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC1=CCCCC1 ZINC001606167711 1163797625 /nfs/dbraw/zinc/79/76/25/1163797625.db2.gz USAYHYKTWBKJDT-UHFFFAOYSA-N -1 1 287.323 1.998 20 0 CDADMM Cc1onc(CC(=O)N[C@H]2CC[C@H](C)C2)c1-c1nnn[n-]1 ZINC001606180018 1163799049 /nfs/dbraw/zinc/79/90/49/1163799049.db2.gz VAGCCXXKIYPTNM-CBAPKCEASA-N -1 1 290.327 1.010 20 0 CDADMM Cc1onc(CC(=O)N[C@H]2CC[C@H](C)C2)c1-c1nn[n-]n1 ZINC001606180018 1163799057 /nfs/dbraw/zinc/79/90/57/1163799057.db2.gz VAGCCXXKIYPTNM-CBAPKCEASA-N -1 1 290.327 1.010 20 0 CDADMM CNC(=O)CCN(C)Cc1ccc(C(=O)[O-])cc1F ZINC001606267188 1163831200 /nfs/dbraw/zinc/83/12/00/1163831200.db2.gz QWOJXBOXFMAMGG-UHFFFAOYSA-N -1 1 268.288 1.092 20 0 CDADMM FC1(F)CC[C@H](CNc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001606299600 1163843016 /nfs/dbraw/zinc/84/30/16/1163843016.db2.gz ANXXULKNBVIOIV-ZETCQYMHSA-N -1 1 281.270 1.504 20 0 CDADMM FC1(F)CC[C@H](CNc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001606299600 1163843020 /nfs/dbraw/zinc/84/30/20/1163843020.db2.gz ANXXULKNBVIOIV-ZETCQYMHSA-N -1 1 281.270 1.504 20 0 CDADMM O=C(N[C@H]1CCC[C@@H](F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606663453 1163952816 /nfs/dbraw/zinc/95/28/16/1163952816.db2.gz NZMGGPMRNAAMFA-ZJUUUORDSA-N -1 1 290.302 1.272 20 0 CDADMM O=C(N[C@H]1CCC[C@@H](F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606663453 1163952821 /nfs/dbraw/zinc/95/28/21/1163952821.db2.gz NZMGGPMRNAAMFA-ZJUUUORDSA-N -1 1 290.302 1.272 20 0 CDADMM CO[C@]1(C(=O)[O-])CCN(Cc2cnc(C3CC3)s2)C1 ZINC001606706658 1163964072 /nfs/dbraw/zinc/96/40/72/1163964072.db2.gz RBADRHCYALTWDR-CYBMUJFWSA-N -1 1 282.365 1.696 20 0 CDADMM O=C(NC[C@@H]1C=CCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001606719919 1163970156 /nfs/dbraw/zinc/97/01/56/1163970156.db2.gz RTWJNKZHBPAQQC-MRVPVSSYSA-N -1 1 259.269 1.156 20 0 CDADMM O=C(NC[C@@H]1C=CCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001606719919 1163970162 /nfs/dbraw/zinc/97/01/62/1163970162.db2.gz RTWJNKZHBPAQQC-MRVPVSSYSA-N -1 1 259.269 1.156 20 0 CDADMM CO[C@H]1C[C@@H](N(C)Cc2oncc2C(=O)[O-])C12CCC2 ZINC001606722568 1163971141 /nfs/dbraw/zinc/97/11/41/1163971141.db2.gz LRBSUGZAAYTDCV-NEPJUHHUSA-N -1 1 280.324 1.762 20 0 CDADMM COCCN1[C@H](C)CN(c2ncc(C(=O)[O-])s2)C[C@@H]1C ZINC001606895714 1164027137 /nfs/dbraw/zinc/02/71/37/1164027137.db2.gz VXTCJXDSALSEGR-AOOOYVTPSA-N -1 1 299.396 1.387 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@]12C[C@H]1CCCC2 ZINC001606934119 1164032999 /nfs/dbraw/zinc/03/29/99/1164032999.db2.gz VAQBSVMIUVHZLU-YMTOWFKASA-N -1 1 299.338 1.716 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@]12C[C@H]1CCCC2 ZINC001606934119 1164033004 /nfs/dbraw/zinc/03/30/04/1164033004.db2.gz VAQBSVMIUVHZLU-YMTOWFKASA-N -1 1 299.338 1.716 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCC(F)(F)C1 ZINC001606940813 1164035320 /nfs/dbraw/zinc/03/53/20/1164035320.db2.gz GYSIRVNLEPOYIQ-UHFFFAOYSA-N -1 1 295.253 1.135 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCC(F)(F)C1 ZINC001606940813 1164035327 /nfs/dbraw/zinc/03/53/27/1164035327.db2.gz GYSIRVNLEPOYIQ-UHFFFAOYSA-N -1 1 295.253 1.135 20 0 CDADMM O=C(OCC1CC2(CCC2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606965270 1164040892 /nfs/dbraw/zinc/04/08/92/1164040892.db2.gz MIWQNXUFRNKTKL-UHFFFAOYSA-N -1 1 299.334 1.999 20 0 CDADMM O=C(OCC1CC2(CCC2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606965270 1164040896 /nfs/dbraw/zinc/04/08/96/1164040896.db2.gz MIWQNXUFRNKTKL-UHFFFAOYSA-N -1 1 299.334 1.999 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCc2ccccc21 ZINC001607022273 1164062083 /nfs/dbraw/zinc/06/20/83/1164062083.db2.gz QINIAHAJZUPBQS-UHFFFAOYSA-N -1 1 292.302 1.465 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCc2ccccc21 ZINC001607022273 1164062086 /nfs/dbraw/zinc/06/20/86/1164062086.db2.gz QINIAHAJZUPBQS-UHFFFAOYSA-N -1 1 292.302 1.465 20 0 CDADMM c1cnc2cc(Oc3nnccc3-c3nnn[n-]3)ccc2n1 ZINC001607112773 1164092573 /nfs/dbraw/zinc/09/25/73/1164092573.db2.gz FRKKRHMUYVWOMF-UHFFFAOYSA-N -1 1 292.262 1.392 20 0 CDADMM c1cnc2cc(Oc3nnccc3-c3nn[n-]n3)ccc2n1 ZINC001607112773 1164092581 /nfs/dbraw/zinc/09/25/81/1164092581.db2.gz FRKKRHMUYVWOMF-UHFFFAOYSA-N -1 1 292.262 1.392 20 0 CDADMM c1c(-c2nn[n-]n2)nnn1C[C@H]1CCCC12CCOCC2 ZINC001607114215 1164094385 /nfs/dbraw/zinc/09/43/85/1164094385.db2.gz ICDVBWXAXJBUGI-SNVBAGLBSA-N -1 1 289.343 1.055 20 0 CDADMM c1cc(NC[C@H]2CC[C@@H](C3CC3)O2)nc(-c2nnn[n-]2)c1 ZINC001607121607 1164103177 /nfs/dbraw/zinc/10/31/77/1164103177.db2.gz QWYIWVLLUUWJQW-PWSUYJOCSA-N -1 1 286.339 1.631 20 0 CDADMM c1cc(NC[C@H]2CC[C@@H](C3CC3)O2)nc(-c2nn[n-]n2)c1 ZINC001607121607 1164103182 /nfs/dbraw/zinc/10/31/82/1164103182.db2.gz QWYIWVLLUUWJQW-PWSUYJOCSA-N -1 1 286.339 1.631 20 0 CDADMM c1cc(N2CC[C@H]3CSC[C@@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001607120191 1164103434 /nfs/dbraw/zinc/10/34/34/1164103434.db2.gz PXJZMRYMURWFLW-UWVGGRQHSA-N -1 1 288.380 1.451 20 0 CDADMM c1cc(N2CC[C@H]3CSC[C@@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001607120191 1164103436 /nfs/dbraw/zinc/10/34/36/1164103436.db2.gz PXJZMRYMURWFLW-UWVGGRQHSA-N -1 1 288.380 1.451 20 0 CDADMM c1cc(N[C@@H]2CC23CCCCC3)nc(-c2nn[n-]n2)n1 ZINC001607120286 1164103592 /nfs/dbraw/zinc/10/35/92/1164103592.db2.gz YSBYAYZPNZWEIB-SECBINFHSA-N -1 1 271.328 1.213 20 0 CDADMM c1ccc2c(c1)SC[C@@H]2Nc1ccnc(-c2nn[n-]n2)n1 ZINC001607132213 1164111050 /nfs/dbraw/zinc/11/10/50/1164111050.db2.gz WVNKPTOUONKSOK-VIFPVBQESA-N -1 1 297.347 1.338 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(SC2CCOCC2)c1 ZINC001607133370 1164113110 /nfs/dbraw/zinc/11/31/10/1164113110.db2.gz FJIBTXIJFMCXIX-UHFFFAOYSA-N -1 1 263.326 1.533 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(SC2CCOCC2)c1 ZINC001607133370 1164113116 /nfs/dbraw/zinc/11/31/16/1164113116.db2.gz FJIBTXIJFMCXIX-UHFFFAOYSA-N -1 1 263.326 1.533 20 0 CDADMM c1nc(NC[C@@H]2CCCSC2)cc(-c2nnn[n-]2)n1 ZINC001607137593 1164116943 /nfs/dbraw/zinc/11/69/43/1164116943.db2.gz WLHCVEGWNASOSB-QMMMGPOBSA-N -1 1 277.357 1.212 20 0 CDADMM c1nc(NC[C@@H]2CCCSC2)cc(-c2nn[n-]n2)n1 ZINC001607137593 1164116949 /nfs/dbraw/zinc/11/69/49/1164116949.db2.gz WLHCVEGWNASOSB-QMMMGPOBSA-N -1 1 277.357 1.212 20 0 CDADMM COc1ccc(C(=O)[O-])cc1CN[C@@H]1C(=O)NCC1(C)C ZINC001607215773 1164131623 /nfs/dbraw/zinc/13/16/23/1164131623.db2.gz ITKTUYDDAVTOFS-GFCCVEGCSA-N -1 1 292.335 1.008 20 0 CDADMM Cc1c[nH]nc1CN1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC001607556489 1164225532 /nfs/dbraw/zinc/22/55/32/1164225532.db2.gz LJFKKHKLVBTIHD-MDZLAQPJSA-N -1 1 263.341 1.793 20 0 CDADMM Cc1cc(C(=O)CN2CCC[C@@H]2CC(=O)[O-])c(C)n1C ZINC001607567895 1164226589 /nfs/dbraw/zinc/22/65/89/1164226589.db2.gz VNPIBTQUQFTZDH-GFCCVEGCSA-N -1 1 278.352 1.764 20 0 CDADMM Cc1cc(CN2CCN(CC3(CC(=O)[O-])CC3)CC2)on1 ZINC001607640900 1164252008 /nfs/dbraw/zinc/25/20/08/1164252008.db2.gz DORZOGUIVBNJRZ-UHFFFAOYSA-N -1 1 293.367 1.356 20 0 CDADMM Cc1cnc(CCN2C[C@H](C)O[C@H](C(=O)[O-])C2)c(C)c1 ZINC001607905868 1164329946 /nfs/dbraw/zinc/32/99/46/1164329946.db2.gz IHJBJSGGJYLKCR-JSGCOSHPSA-N -1 1 278.352 1.415 20 0 CDADMM Cn1c(CN[C@@H](CO)c2cccc(F)c2)ccc1C(=O)[O-] ZINC001608105479 1164410579 /nfs/dbraw/zinc/41/05/79/1164410579.db2.gz ZLAIORTWCBUKNW-ZDUSSCGKSA-N -1 1 292.310 1.686 20 0 CDADMM Cn1cc([C@@H]2CCCN(Cc3cc(C(=O)[O-])co3)C2)nn1 ZINC001608108039 1164411389 /nfs/dbraw/zinc/41/13/89/1164411389.db2.gz VHROWXFGUHVYIA-SNVBAGLBSA-N -1 1 290.323 1.486 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)c3cc[nH]c3)[nH]c21 ZINC001608524351 1164531781 /nfs/dbraw/zinc/53/17/81/1164531781.db2.gz LWGDGIMAJHJAND-UHFFFAOYSA-N -1 1 270.248 1.842 20 0 CDADMM O=C([O-])[C@@H]1OCC[C@@H]1NCc1csc(-c2ccoc2)n1 ZINC001608815693 1164647291 /nfs/dbraw/zinc/64/72/91/1164647291.db2.gz SLOWJAVDEBGPKN-WDEREUQCSA-N -1 1 294.332 1.735 20 0 CDADMM CC1(COC(=O)c2ccnc(-c3nnn[n-]3)c2)CCC1 ZINC001609149872 1164797643 /nfs/dbraw/zinc/79/76/43/1164797643.db2.gz DCKINMPVRZGMQD-UHFFFAOYSA-N -1 1 273.296 1.609 20 0 CDADMM CC1(COC(=O)c2ccnc(-c3nn[n-]n3)c2)CCC1 ZINC001609149872 1164797651 /nfs/dbraw/zinc/79/76/51/1164797651.db2.gz DCKINMPVRZGMQD-UHFFFAOYSA-N -1 1 273.296 1.609 20 0 CDADMM C[C@H]1C[C@@H](COc2ccc(F)nc2-c2nnn[n-]2)CCO1 ZINC001609157811 1164804472 /nfs/dbraw/zinc/80/44/72/1164804472.db2.gz VZTYLXMUWGXBSN-IUCAKERBSA-N -1 1 293.302 1.595 20 0 CDADMM C[C@H]1C[C@@H](COc2ccc(F)nc2-c2nn[n-]n2)CCO1 ZINC001609157811 1164804481 /nfs/dbraw/zinc/80/44/81/1164804481.db2.gz VZTYLXMUWGXBSN-IUCAKERBSA-N -1 1 293.302 1.595 20 0 CDADMM C[C@H]1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001609162682 1164808150 /nfs/dbraw/zinc/80/81/50/1164808150.db2.gz HLJCZVXCVVRZJJ-IINYFYTJSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@H]1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001609162682 1164808155 /nfs/dbraw/zinc/80/81/55/1164808155.db2.gz HLJCZVXCVVRZJJ-IINYFYTJSA-N -1 1 285.355 1.673 20 0 CDADMM CC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001609199003 1164840431 /nfs/dbraw/zinc/84/04/31/1164840431.db2.gz MXAFOEBHBQXXQS-IUCAKERBSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001609199003 1164840435 /nfs/dbraw/zinc/84/04/35/1164840435.db2.gz MXAFOEBHBQXXQS-IUCAKERBSA-N -1 1 275.316 1.026 20 0 CDADMM CCOCCN(CC)C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001609240999 1164861295 /nfs/dbraw/zinc/86/12/95/1164861295.db2.gz SLVMRZBBPBNSDX-UHFFFAOYSA-N -1 1 293.327 1.267 20 0 CDADMM CCOCCN(CC)C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609240999 1164861301 /nfs/dbraw/zinc/86/13/01/1164861301.db2.gz SLVMRZBBPBNSDX-UHFFFAOYSA-N -1 1 293.327 1.267 20 0 CDADMM CCc1ccccc1CCn1cnc(-c2nn[n-]n2)cc1=O ZINC001609253348 1164867252 /nfs/dbraw/zinc/86/72/52/1164867252.db2.gz HSOHXAGPAMGOIM-UHFFFAOYSA-N -1 1 296.334 1.229 20 0 CDADMM CO[C@@H](C)CN(C)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609308160 1164886283 /nfs/dbraw/zinc/88/62/83/1164886283.db2.gz FWILHKCQNZNZIF-ZETCQYMHSA-N -1 1 281.341 1.035 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)c2cccnc2)n1 ZINC001609392676 1164926965 /nfs/dbraw/zinc/92/69/65/1164926965.db2.gz ZPEXWKARFFMBIA-SECBINFHSA-N -1 1 282.311 1.533 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)c2cccnc2)n1 ZINC001609392676 1164926970 /nfs/dbraw/zinc/92/69/70/1164926970.db2.gz ZPEXWKARFFMBIA-SECBINFHSA-N -1 1 282.311 1.533 20 0 CDADMM Cc1ccc(N2C[C@H](C)O[C@H](C)[C@H]2C)nc1-c1nnn[n-]1 ZINC001609424829 1164939476 /nfs/dbraw/zinc/93/94/76/1164939476.db2.gz KARUQISTEYVVBK-HBNTYKKESA-N -1 1 288.355 1.572 20 0 CDADMM Cc1ccc(N2C[C@H](C)O[C@H](C)[C@H]2C)nc1-c1nn[n-]n1 ZINC001609424829 1164939480 /nfs/dbraw/zinc/93/94/80/1164939480.db2.gz KARUQISTEYVVBK-HBNTYKKESA-N -1 1 288.355 1.572 20 0 CDADMM Cc1ccc(NCc2cccnc2F)nc1-c1nnn[n-]1 ZINC001609426215 1164942420 /nfs/dbraw/zinc/94/24/20/1164942420.db2.gz ITPWTRXCLFDRBB-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1ccc(NCc2cccnc2F)nc1-c1nn[n-]n1 ZINC001609426215 1164942423 /nfs/dbraw/zinc/94/24/23/1164942423.db2.gz ITPWTRXCLFDRBB-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cn1cc(Nc2cnc(-c3nnn[n-]3)cn2)c(C2CC2)n1 ZINC001609479829 1164968199 /nfs/dbraw/zinc/96/81/99/1164968199.db2.gz QVQPMRFKIOONRB-UHFFFAOYSA-N -1 1 283.299 1.011 20 0 CDADMM Cn1cc(Nc2cnc(-c3nn[n-]n3)cn2)c(C2CC2)n1 ZINC001609479829 1164968203 /nfs/dbraw/zinc/96/82/03/1164968203.db2.gz QVQPMRFKIOONRB-UHFFFAOYSA-N -1 1 283.299 1.011 20 0 CDADMM CC[C@]1(C(=O)Nc2ccc([O-])c(F)c2F)CCNC1=O ZINC000868788271 1164993764 /nfs/dbraw/zinc/99/37/64/1164993764.db2.gz SZDMDFPVCTZWGC-ZDUSSCGKSA-N -1 1 284.262 1.525 20 0 CDADMM c1cc(CCNc2cnc(-c3nnn[n-]3)cn2)cs1 ZINC001609613873 1165008513 /nfs/dbraw/zinc/00/85/13/1165008513.db2.gz HTKCHIDYMXTMIV-UHFFFAOYSA-N -1 1 273.325 1.373 20 0 CDADMM c1cc(CCNc2cnc(-c3nn[n-]n3)cn2)cs1 ZINC001609613873 1165008519 /nfs/dbraw/zinc/00/85/19/1165008519.db2.gz HTKCHIDYMXTMIV-UHFFFAOYSA-N -1 1 273.325 1.373 20 0 CDADMM c1ccc2c(c1)CC[C@H](Nc1cc(-c3nnn[n-]3)ncn1)C2 ZINC001609617944 1165012658 /nfs/dbraw/zinc/01/26/58/1165012658.db2.gz KBELXTXHTZLSTI-LBPRGKRZSA-N -1 1 293.334 1.626 20 0 CDADMM c1ccc2c(c1)CC[C@H](Nc1cc(-c3nn[n-]n3)ncn1)C2 ZINC001609617944 1165012662 /nfs/dbraw/zinc/01/26/62/1165012662.db2.gz KBELXTXHTZLSTI-LBPRGKRZSA-N -1 1 293.334 1.626 20 0 CDADMM C[C@H](O)CCCN1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001609788447 1165081649 /nfs/dbraw/zinc/08/16/49/1165081649.db2.gz QPWQRVZNMKGAES-NSHDSACASA-N -1 1 298.408 1.729 20 0 CDADMM Cc1cc(CNCc2ccc(OCC(=O)[O-])cc2)n(C)n1 ZINC001610460754 1165321524 /nfs/dbraw/zinc/32/15/24/1165321524.db2.gz DYZRSGYEYIFRAQ-UHFFFAOYSA-N -1 1 289.335 1.482 20 0 CDADMM Cc1nn(C)c(Cl)c1CN(C)CC1(C(=O)[O-])CC1 ZINC001610568313 1165359926 /nfs/dbraw/zinc/35/99/26/1165359926.db2.gz NRNALYQOPKQPHO-UHFFFAOYSA-N -1 1 271.748 1.679 20 0 CDADMM NC1(c2noc(CCc3ccc(C(=O)[O-])cc3)n2)CCC1 ZINC001610643460 1165392252 /nfs/dbraw/zinc/39/22/52/1165392252.db2.gz RQWMQHMZAXXKQZ-UHFFFAOYSA-N -1 1 287.319 1.891 20 0 CDADMM O=C([O-])c1cn([C@@H]2CCCN(Cc3ccoc3)C2)nn1 ZINC001610856362 1165463967 /nfs/dbraw/zinc/46/39/67/1165463967.db2.gz DMTQGLCHUBXOSW-LLVKDONJSA-N -1 1 276.296 1.406 20 0 CDADMM O=C(CCCc1nn[n-]n1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000873990186 1165598970 /nfs/dbraw/zinc/59/89/70/1165598970.db2.gz RRSXSHOFSYBCAS-LLVKDONJSA-N -1 1 274.328 1.214 20 0 CDADMM CCC(CC)(NC(=O)C[C@@H](C)COC)c1nn[n-]n1 ZINC001623440460 1165772013 /nfs/dbraw/zinc/77/20/13/1165772013.db2.gz AWITXTTYDVDJQF-SECBINFHSA-N -1 1 269.349 1.004 20 0 CDADMM NC(=O)CN(C(=O)c1cc(Cl)ccc1[O-])C1CCCC1 ZINC000042439157 1166067330 /nfs/dbraw/zinc/06/73/30/1166067330.db2.gz YYAOVVHTQCJOEW-UHFFFAOYSA-N -1 1 296.754 1.916 20 0 CDADMM CNc1ccc(C(=O)Nc2nnn[n-]2)c(Cl)c1 ZINC001629830859 1166166289 /nfs/dbraw/zinc/16/62/89/1166166289.db2.gz YBSFZDFFAGBRBY-UHFFFAOYSA-N -1 1 252.665 1.147 20 0 CDADMM CNc1ccc(C(=O)Nc2nn[n-]n2)c(Cl)c1 ZINC001629830859 1166166294 /nfs/dbraw/zinc/16/62/94/1166166294.db2.gz YBSFZDFFAGBRBY-UHFFFAOYSA-N -1 1 252.665 1.147 20 0 CDADMM Cc1cnc([N-]C(=O)c2nc(-c3cnccn3)no2)s1 ZINC000044122710 1166173340 /nfs/dbraw/zinc/17/33/40/1166173340.db2.gz KBDZLDNXISXQQH-UHFFFAOYSA-N -1 1 288.292 1.544 20 0 CDADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1ccoc1 ZINC000095175799 1166604262 /nfs/dbraw/zinc/60/42/62/1166604262.db2.gz VODXAZLTKIFZOL-UHFFFAOYSA-N -1 1 285.263 1.624 20 0 CDADMM c1nc(-c2nn[n-]n2)nn1Cc1ccc2ccccc2n1 ZINC000095170045 1166604956 /nfs/dbraw/zinc/60/49/56/1166604956.db2.gz PDBXSQMDQMJWSU-UHFFFAOYSA-N -1 1 278.279 1.055 20 0 CDADMM COCCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000095316713 1166620936 /nfs/dbraw/zinc/62/09/36/1166620936.db2.gz PRKYDTZIHNYPFH-UHFFFAOYSA-N -1 1 274.737 1.425 20 0 CDADMM COCCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000095316713 1166620943 /nfs/dbraw/zinc/62/09/43/1166620943.db2.gz PRKYDTZIHNYPFH-UHFFFAOYSA-N -1 1 274.737 1.425 20 0 CDADMM CCN(CCOCCO)C(=O)c1ccc(F)c([O-])c1 ZINC001155303577 1167120989 /nfs/dbraw/zinc/12/09/89/1167120989.db2.gz SZJJTBXCAJARKO-UHFFFAOYSA-N -1 1 271.288 1.002 20 0 CDADMM COc1cccc(F)c1C(=O)Nc1c(C)[n-][nH]c1=O ZINC001641716014 1167132698 /nfs/dbraw/zinc/13/26/98/1167132698.db2.gz NZVBQKMIHZCKOG-UHFFFAOYSA-N -1 1 265.244 1.824 20 0 CDADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)C[C@@H]1CCOC1 ZINC001645600618 1167433943 /nfs/dbraw/zinc/43/39/43/1167433943.db2.gz OZYHHHZNZJEFET-VIFPVBQESA-N -1 1 297.380 1.321 20 0 CDADMM O=C(COC(=O)[C@@H]1C[C@]12CCOC2)c1ccc([O-])cc1O ZINC001645682674 1167463785 /nfs/dbraw/zinc/46/37/85/1167463785.db2.gz JZJDOBBVXIAENW-NHYWBVRUSA-N -1 1 292.287 1.250 20 0 CDADMM CSc1nc([N-]C(=O)c2ncc(Cl)s2)n[nH]1 ZINC001647171518 1168424953 /nfs/dbraw/zinc/42/49/53/1168424953.db2.gz PZXCVHXMORBXKQ-UHFFFAOYSA-N -1 1 275.746 1.889 20 0 CDADMM CCc1cc(CNC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)n[nH]1 ZINC001647721196 1169046291 /nfs/dbraw/zinc/04/62/91/1169046291.db2.gz KRCIZBNENCQLLK-ZJUUUORDSA-N -1 1 294.355 1.367 20 0 CDADMM O=C([O-])[C@@H]1CC(=O)N(C2CCN(Cc3ccco3)CC2)C1 ZINC001649863473 1169444177 /nfs/dbraw/zinc/44/41/77/1169444177.db2.gz VRSPZMFIOUAJGD-LLVKDONJSA-N -1 1 292.335 1.177 20 0 CDADMM O=C(CCc1ccon1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC001649898838 1169479346 /nfs/dbraw/zinc/47/93/46/1169479346.db2.gz ORPYSCBSFNRZTF-VIFPVBQESA-N -1 1 292.295 1.102 20 0 CDADMM C[C@H](O)[C@@H](NCc1ccc(-c2cnn(C)c2)s1)C(=O)[O-] ZINC001650014452 1169609559 /nfs/dbraw/zinc/60/95/59/1169609559.db2.gz LBUPHDATFYJFQK-QPUJVOFHSA-N -1 1 295.364 1.072 20 0 CDADMM C[C@@H](C(=O)N[C@H](c1nn[n-]n1)c1ccccc1)C(C)(F)F ZINC001650029181 1169627856 /nfs/dbraw/zinc/62/78/56/1169627856.db2.gz SLWXGRNZIGQXLE-WPRPVWTQSA-N -1 1 295.293 1.697 20 0 CDADMM Cc1nc(C(=O)N2CC[C@@H](c3[nH]ncc3C(=O)[O-])C2)co1 ZINC001574182591 1170908618 /nfs/dbraw/zinc/90/86/18/1170908618.db2.gz PGIRDGQFZBFGOE-MRVPVSSYSA-N -1 1 290.279 1.034 20 0 CDADMM CCCOCC(=O)OCC(=O)c1ccc([O-])cc1O ZINC000065677931 1171313988 /nfs/dbraw/zinc/31/39/88/1171313988.db2.gz OTCBMSXWDNVUTR-UHFFFAOYSA-N -1 1 268.265 1.250 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1ccnc(-c2ccccc2)n1 ZINC001654603268 1171624395 /nfs/dbraw/zinc/62/43/95/1171624395.db2.gz HBBFARFROALBMC-UHFFFAOYSA-N -1 1 281.275 1.825 20 0 CDADMM O=C(Nc1nnn[n-]1)c1cccc(Nc2nccs2)c1 ZINC000075306864 1172112547 /nfs/dbraw/zinc/11/25/47/1172112547.db2.gz QCQVNNZCCZLKHZ-UHFFFAOYSA-N -1 1 287.308 1.652 20 0 CDADMM O=C(Nc1nn[n-]n1)c1cccc(Nc2nccs2)c1 ZINC000075306864 1172112549 /nfs/dbraw/zinc/11/25/49/1172112549.db2.gz QCQVNNZCCZLKHZ-UHFFFAOYSA-N -1 1 287.308 1.652 20 0 CDADMM c1cc(COc2cccnc2-c2nnn[n-]2)sn1 ZINC001582818848 1172697005 /nfs/dbraw/zinc/69/70/05/1172697005.db2.gz JJAIBRHBFYJBHI-UHFFFAOYSA-N -1 1 260.282 1.297 20 0 CDADMM c1cc(COc2cccnc2-c2nn[n-]n2)sn1 ZINC001582818848 1172697009 /nfs/dbraw/zinc/69/70/09/1172697009.db2.gz JJAIBRHBFYJBHI-UHFFFAOYSA-N -1 1 260.282 1.297 20 0 CDADMM O=C([N-]c1nc2cnccn2n1)c1ncnc2ccsc21 ZINC001588282289 1173020279 /nfs/dbraw/zinc/02/02/79/1173020279.db2.gz KHGDERZFPABEDO-UHFFFAOYSA-N -1 1 297.303 1.381 20 0 CDADMM C1=CC2(CCCCC2)N(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001588389520 1173059737 /nfs/dbraw/zinc/05/97/37/1173059737.db2.gz VWKZCFNQLYXXGG-UHFFFAOYSA-N -1 1 283.339 1.736 20 0 CDADMM C1=CC2(CCCCC2)N(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001588389520 1173059740 /nfs/dbraw/zinc/05/97/40/1173059740.db2.gz VWKZCFNQLYXXGG-UHFFFAOYSA-N -1 1 283.339 1.736 20 0 CDADMM C[C@@H](C(=O)NCc1nc(-c2nnn[n-]2)cs1)C1CCC1 ZINC001588999938 1173118148 /nfs/dbraw/zinc/11/81/48/1173118148.db2.gz RIMOWGJBQHYFDJ-SSDOTTSWSA-N -1 1 292.368 1.376 20 0 CDADMM C[C@@H](C(=O)NCc1nc(-c2nn[n-]n2)cs1)C1CCC1 ZINC001588999938 1173118152 /nfs/dbraw/zinc/11/81/52/1173118152.db2.gz RIMOWGJBQHYFDJ-SSDOTTSWSA-N -1 1 292.368 1.376 20 0 CDADMM CC(C)(C)C(=O)COC(=O)c1ccsc1-c1nnn[n-]1 ZINC001589075356 1173122176 /nfs/dbraw/zinc/12/21/76/1173122176.db2.gz SCOMPPPBADXRJF-UHFFFAOYSA-N -1 1 294.336 1.700 20 0 CDADMM CC(C)(C)C(=O)COC(=O)c1ccsc1-c1nn[n-]n1 ZINC001589075356 1173122180 /nfs/dbraw/zinc/12/21/80/1173122180.db2.gz SCOMPPPBADXRJF-UHFFFAOYSA-N -1 1 294.336 1.700 20 0 CDADMM CC(C)(C)CC(=O)Cn1cc(-c2nn[n-]n2)ccc1=O ZINC001589111401 1173123534 /nfs/dbraw/zinc/12/35/34/1173123534.db2.gz QAPOUAHJRGDEHC-UHFFFAOYSA-N -1 1 275.312 1.034 20 0 CDADMM CC(C)(CF)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589278998 1173134693 /nfs/dbraw/zinc/13/46/93/1173134693.db2.gz YIGNCWNLPXCBQV-UHFFFAOYSA-N -1 1 269.305 1.406 20 0 CDADMM CC(C)(O)CCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001589333007 1173139739 /nfs/dbraw/zinc/13/97/39/1173139739.db2.gz KMKVIWPLXYJHLT-UHFFFAOYSA-N -1 1 282.735 1.488 20 0 CDADMM CC(C)(O)CCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001589333007 1173139744 /nfs/dbraw/zinc/13/97/44/1173139744.db2.gz KMKVIWPLXYJHLT-UHFFFAOYSA-N -1 1 282.735 1.488 20 0 CDADMM CC(C)=C(C)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001589345952 1173140263 /nfs/dbraw/zinc/14/02/63/1173140263.db2.gz IMOWLSYVZNLBOR-UHFFFAOYSA-N -1 1 278.341 1.296 20 0 CDADMM CC(C)=C(C)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001589345952 1173140286 /nfs/dbraw/zinc/14/02/86/1173140286.db2.gz IMOWLSYVZNLBOR-UHFFFAOYSA-N -1 1 278.341 1.296 20 0 CDADMM CC(C)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589508104 1173154699 /nfs/dbraw/zinc/15/46/99/1173154699.db2.gz VWAJDRAEAYSRMM-JTQLQIEISA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)CCCCC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001589593577 1173161293 /nfs/dbraw/zinc/16/12/93/1173161293.db2.gz PFHUQWYXIBNLQB-UHFFFAOYSA-N -1 1 291.359 1.755 20 0 CDADMM CC(C)CCCCC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001589593577 1173161297 /nfs/dbraw/zinc/16/12/97/1173161297.db2.gz PFHUQWYXIBNLQB-UHFFFAOYSA-N -1 1 291.359 1.755 20 0 CDADMM CC(C)CON=c1s[nH]c(Cl)c1-c1nnn[n-]1 ZINC001589647206 1173166405 /nfs/dbraw/zinc/16/64/05/1173166405.db2.gz FNSSCUGSIIEPCU-UHFFFAOYSA-N -1 1 274.737 1.976 20 0 CDADMM CC(C)[C@@H]1C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589763338 1173175684 /nfs/dbraw/zinc/17/56/84/1173175684.db2.gz DEAFZSYHGKZFOO-JGVFFNPUSA-N -1 1 261.285 1.234 20 0 CDADMM CC(C)[C@@H]1C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589763338 1173175685 /nfs/dbraw/zinc/17/56/85/1173175685.db2.gz DEAFZSYHGKZFOO-JGVFFNPUSA-N -1 1 261.285 1.234 20 0 CDADMM CC(C)c1oncc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589781462 1173180200 /nfs/dbraw/zinc/18/02/00/1173180200.db2.gz TXUFSTPWNNUYDR-UHFFFAOYSA-N -1 1 299.294 1.625 20 0 CDADMM CC(C)c1oncc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589781462 1173180206 /nfs/dbraw/zinc/18/02/06/1173180206.db2.gz TXUFSTPWNNUYDR-UHFFFAOYSA-N -1 1 299.294 1.625 20 0 CDADMM C[C@H](CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1ccccc1 ZINC001589794083 1173182438 /nfs/dbraw/zinc/18/24/38/1173182438.db2.gz HBEQQHCPCXYSMJ-SECBINFHSA-N -1 1 297.322 1.722 20 0 CDADMM C[C@H](CCC(=O)[O-])C[NH2+]Cc1csc(-c2nn[n-]n2)c1 ZINC001589803603 1173185339 /nfs/dbraw/zinc/18/53/39/1173185339.db2.gz TXKHTVSAFGOXBT-MRVPVSSYSA-N -1 1 295.368 1.519 20 0 CDADMM C[C@H](CC(C)(C)O)OC(=O)c1sccc1-c1nn[n-]n1 ZINC001589794999 1173185666 /nfs/dbraw/zinc/18/56/66/1173185666.db2.gz AVGMEQPGXFTLDF-SSDOTTSWSA-N -1 1 296.352 1.635 20 0 CDADMM C[C@H](CO)CSc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589882729 1173195708 /nfs/dbraw/zinc/19/57/08/1173195708.db2.gz RQBVAYQBXWYPKI-SSDOTTSWSA-N -1 1 292.368 1.255 20 0 CDADMM C[C@H](CO)CSc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589882729 1173195715 /nfs/dbraw/zinc/19/57/15/1173195715.db2.gz RQBVAYQBXWYPKI-SSDOTTSWSA-N -1 1 292.368 1.255 20 0 CDADMM C[C@H](Cc1cccnc1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589901331 1173199079 /nfs/dbraw/zinc/19/90/79/1173199079.db2.gz MNNYMVWESXEMBI-SNVBAGLBSA-N -1 1 281.323 1.122 20 0 CDADMM C[C@H](Cc1cccnc1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589901331 1173199085 /nfs/dbraw/zinc/19/90/85/1173199085.db2.gz MNNYMVWESXEMBI-SNVBAGLBSA-N -1 1 281.323 1.122 20 0 CDADMM CC(F)(F)CNCc1ccc(-c2nn[n-]n2)s1 ZINC001589908143 1173201322 /nfs/dbraw/zinc/20/13/22/1173201322.db2.gz HFRGISABKKNJGG-UHFFFAOYSA-N -1 1 259.285 1.673 20 0 CDADMM C[C@@H](NCc1nc(-c2nnn[n-]2)cs1)c1cccnc1 ZINC001589977063 1173218353 /nfs/dbraw/zinc/21/83/53/1173218353.db2.gz TZGMERFDHVPFRL-MRVPVSSYSA-N -1 1 287.352 1.569 20 0 CDADMM C[C@@H](O)C(C)(C)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001589993475 1173225005 /nfs/dbraw/zinc/22/50/05/1173225005.db2.gz XOBPKLFOUDYVEB-SSDOTTSWSA-N -1 1 296.762 1.734 20 0 CDADMM C[C@H](O)C1(Nc2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001589995296 1173228525 /nfs/dbraw/zinc/22/85/25/1173228525.db2.gz JVLMEIMYWSRWMY-BYPYZUCNSA-N -1 1 286.748 1.302 20 0 CDADMM C[C@]1(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CC1(F)F ZINC001590068746 1173243734 /nfs/dbraw/zinc/24/37/34/1173243734.db2.gz OPOFVIPGUDOMPH-SNVBAGLBSA-N -1 1 299.306 1.590 20 0 CDADMM CC1(C)CCC[C@H](n2ccc(-c3nn[n-]n3)cc2=O)C1=O ZINC001590096628 1173257924 /nfs/dbraw/zinc/25/79/24/1173257924.db2.gz IGDDLMKVAAPNOK-JTQLQIEISA-N -1 1 287.323 1.349 20 0 CDADMM CC1(C)CN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001590109771 1173259013 /nfs/dbraw/zinc/25/90/13/1173259013.db2.gz QGWBCMAPMHAYCK-UHFFFAOYSA-N -1 1 270.749 1.823 20 0 CDADMM CC1(C)CN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001590109771 1173259014 /nfs/dbraw/zinc/25/90/14/1173259014.db2.gz QGWBCMAPMHAYCK-UHFFFAOYSA-N -1 1 270.749 1.823 20 0 CDADMM CC1=C[C@H](C)CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590157557 1173274848 /nfs/dbraw/zinc/27/48/48/1173274848.db2.gz PELNUIGZVURTFS-VIFPVBQESA-N -1 1 284.323 1.300 20 0 CDADMM CC1=C[C@H](C)CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590157557 1173274854 /nfs/dbraw/zinc/27/48/54/1173274854.db2.gz PELNUIGZVURTFS-VIFPVBQESA-N -1 1 284.323 1.300 20 0 CDADMM C[C@@H]1C[C@@H](C(=O)OCc2ccc(-c3nnn[n-]3)o2)[C@@H](C)O1 ZINC001590186078 1173281716 /nfs/dbraw/zinc/28/17/16/1173281716.db2.gz RIOHKXSWRQGUEF-NQMVMOMDSA-N -1 1 292.295 1.316 20 0 CDADMM C[C@@H]1C[C@@H](C(=O)OCc2ccc(-c3nn[n-]n3)o2)[C@@H](C)O1 ZINC001590186078 1173281723 /nfs/dbraw/zinc/28/17/23/1173281723.db2.gz RIOHKXSWRQGUEF-NQMVMOMDSA-N -1 1 292.295 1.316 20 0 CDADMM C[C@@H]1C[C@H](C)N(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590189629 1173284146 /nfs/dbraw/zinc/28/41/46/1173284146.db2.gz IOCFVISSVMEUGP-BDAKNGLRSA-N -1 1 272.312 1.132 20 0 CDADMM C[C@@H]1C[C@H](C)N(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590189629 1173284149 /nfs/dbraw/zinc/28/41/49/1173284149.db2.gz IOCFVISSVMEUGP-BDAKNGLRSA-N -1 1 272.312 1.132 20 0 CDADMM C[C@H]1C[C@@H](NC(=O)c2ccsc2-c2nnn[n-]2)CS1 ZINC001590203162 1173290061 /nfs/dbraw/zinc/29/00/61/1173290061.db2.gz NNBMOXIQYWFFQF-NKWVEPMBSA-N -1 1 295.393 1.552 20 0 CDADMM C[C@H]1C[C@@H](NC(=O)c2ccsc2-c2nn[n-]n2)CS1 ZINC001590203162 1173290065 /nfs/dbraw/zinc/29/00/65/1173290065.db2.gz NNBMOXIQYWFFQF-NKWVEPMBSA-N -1 1 295.393 1.552 20 0 CDADMM C[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCS1 ZINC001590212696 1173296043 /nfs/dbraw/zinc/29/60/43/1173296043.db2.gz SZPBEQJYKUKOPJ-HTQZYQBOSA-N -1 1 277.357 1.353 20 0 CDADMM C[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCS1 ZINC001590212696 1173296046 /nfs/dbraw/zinc/29/60/46/1173296046.db2.gz SZPBEQJYKUKOPJ-HTQZYQBOSA-N -1 1 277.357 1.353 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccc(-c2nnn[n-]2)o1 ZINC001590226680 1173305462 /nfs/dbraw/zinc/30/54/62/1173305462.db2.gz RTOQUVIJYAKWGC-BDAKNGLRSA-N -1 1 291.311 1.145 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1ccc(-c2nn[n-]n2)o1 ZINC001590226680 1173305477 /nfs/dbraw/zinc/30/54/77/1173305477.db2.gz RTOQUVIJYAKWGC-BDAKNGLRSA-N -1 1 291.311 1.145 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccc(-c2nn[n-]n2)o1 ZINC001590226680 1173305482 /nfs/dbraw/zinc/30/54/82/1173305482.db2.gz RTOQUVIJYAKWGC-BDAKNGLRSA-N -1 1 291.311 1.145 20 0 CDADMM C[C@@H]1CCC[C@@H](Cn2cc(-c3nn[n-]n3)ccc2=O)C1 ZINC001590245227 1173318342 /nfs/dbraw/zinc/31/83/42/1173318342.db2.gz XSVWPUPKZAZCDM-GHMZBOCLSA-N -1 1 273.340 1.855 20 0 CDADMM C[C@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590255103 1173322394 /nfs/dbraw/zinc/32/23/94/1173322394.db2.gz QHXQSYYGAANFDK-VHSXEESVSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590255103 1173322399 /nfs/dbraw/zinc/32/23/99/1173322399.db2.gz QHXQSYYGAANFDK-VHSXEESVSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)[C@@H]2CCCC[C@H]21 ZINC001590316648 1173350069 /nfs/dbraw/zinc/35/00/69/1173350069.db2.gz PBZWGGQJBYIZFL-JFGNBEQYSA-N -1 1 285.355 1.672 20 0 CDADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)[C@@H]2CCCC[C@H]21 ZINC001590316648 1173350071 /nfs/dbraw/zinc/35/00/71/1173350071.db2.gz PBZWGGQJBYIZFL-JFGNBEQYSA-N -1 1 285.355 1.672 20 0 CDADMM C[C@H]1COC[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001590323701 1173356022 /nfs/dbraw/zinc/35/60/22/1173356022.db2.gz ICORVQMBWUJDGA-WHFBIAKZSA-N -1 1 286.748 1.423 20 0 CDADMM C[C@H]1COC[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001590323701 1173356029 /nfs/dbraw/zinc/35/60/29/1173356029.db2.gz ICORVQMBWUJDGA-WHFBIAKZSA-N -1 1 286.748 1.423 20 0 CDADMM C/C=C(/C)C(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001590342519 1173367759 /nfs/dbraw/zinc/36/77/59/1173367759.db2.gz HNSVCYWZDYCPSV-WAYWQWQTSA-N -1 1 278.341 1.561 20 0 CDADMM CC[C@@H](C)CCNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590411534 1173400470 /nfs/dbraw/zinc/40/04/70/1173400470.db2.gz ZIQLTWZJCDHUIE-SECBINFHSA-N -1 1 289.343 1.819 20 0 CDADMM CC[C@@H](C)CCNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590411534 1173400473 /nfs/dbraw/zinc/40/04/73/1173400473.db2.gz ZIQLTWZJCDHUIE-SECBINFHSA-N -1 1 289.343 1.819 20 0 CDADMM CC[C@H](C)n1ncc(Nc2ccnc(-c3nn[n-]n3)n2)c1C ZINC001590418916 1173403582 /nfs/dbraw/zinc/40/35/82/1173403582.db2.gz WTTAZEWEKPWWKI-QMMMGPOBSA-N -1 1 299.342 1.298 20 0 CDADMM CC[C@H](NC(=O)c1cc(-c2nnn[n-]2)oc1C)C1CC1 ZINC001590460436 1173416252 /nfs/dbraw/zinc/41/62/52/1173416252.db2.gz WSNJMKHVICHBRU-JTQLQIEISA-N -1 1 275.312 1.687 20 0 CDADMM CC[C@H](NC(=O)c1cc(-c2nn[n-]n2)oc1C)C1CC1 ZINC001590460436 1173416258 /nfs/dbraw/zinc/41/62/58/1173416258.db2.gz WSNJMKHVICHBRU-JTQLQIEISA-N -1 1 275.312 1.687 20 0 CDADMM CC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)[C@H]1CCCOC1 ZINC001590473877 1173425546 /nfs/dbraw/zinc/42/55/46/1173425546.db2.gz TVJSJVPYLPHWNK-WDEREUQCSA-N -1 1 288.355 1.879 20 0 CDADMM CC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)[C@H]1CCCOC1 ZINC001590473877 1173425551 /nfs/dbraw/zinc/42/55/51/1173425551.db2.gz TVJSJVPYLPHWNK-WDEREUQCSA-N -1 1 288.355 1.879 20 0 CDADMM CC[C@]1(C)CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590489256 1173430180 /nfs/dbraw/zinc/43/01/80/1173430180.db2.gz DKTYZOCBJZSHRV-CQSZACIVSA-N -1 1 286.339 1.524 20 0 CDADMM CC[C@]1(C)CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590489256 1173430183 /nfs/dbraw/zinc/43/01/83/1173430183.db2.gz DKTYZOCBJZSHRV-CQSZACIVSA-N -1 1 286.339 1.524 20 0 CDADMM CCC1(C)CN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590490528 1173434219 /nfs/dbraw/zinc/43/42/19/1173434219.db2.gz ONKDETQXQPYWDK-UHFFFAOYSA-N -1 1 261.285 1.332 20 0 CDADMM CCC1(C)CN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590490528 1173434224 /nfs/dbraw/zinc/43/42/24/1173434224.db2.gz ONKDETQXQPYWDK-UHFFFAOYSA-N -1 1 261.285 1.332 20 0 CDADMM CC[C@@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001590506650 1173441144 /nfs/dbraw/zinc/44/11/44/1173441144.db2.gz URVSWGYSKDYEFD-WDEREUQCSA-N -1 1 274.328 1.053 20 0 CDADMM CC[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC001590506650 1173441147 /nfs/dbraw/zinc/44/11/47/1173441147.db2.gz URVSWGYSKDYEFD-WDEREUQCSA-N -1 1 274.328 1.053 20 0 CDADMM CCC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590572786 1173466014 /nfs/dbraw/zinc/46/60/14/1173466014.db2.gz SRKOYMMXBOOESU-SECBINFHSA-N -1 1 259.317 1.426 20 0 CDADMM CCC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001590571578 1173466942 /nfs/dbraw/zinc/46/69/42/1173466942.db2.gz FXOSPHWWEODHMB-VIFPVBQESA-N -1 1 291.311 1.101 20 0 CDADMM CCC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001590571578 1173466945 /nfs/dbraw/zinc/46/69/45/1173466945.db2.gz FXOSPHWWEODHMB-VIFPVBQESA-N -1 1 291.311 1.101 20 0 CDADMM CCCCn1ncc(Nc2ncncc2-c2nn[n-]n2)c1C ZINC001590615986 1173475623 /nfs/dbraw/zinc/47/56/23/1173475623.db2.gz KYYJTLJDIWUZGE-UHFFFAOYSA-N -1 1 299.342 1.705 20 0 CDADMM CCCOc1cccc(Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC001590647426 1173484186 /nfs/dbraw/zinc/48/41/86/1173484186.db2.gz XEUXUVOXVDGEKK-UHFFFAOYSA-N -1 1 285.311 1.295 20 0 CDADMM CCCc1nnc(Sc2cnc(-c3nnn[n-]3)cn2)o1 ZINC001590661127 1173484937 /nfs/dbraw/zinc/48/49/37/1173484937.db2.gz WNWSHHAHIHJWKK-UHFFFAOYSA-N -1 1 290.312 1.143 20 0 CDADMM CCCc1nnc(Sc2cnc(-c3nn[n-]n3)cn2)o1 ZINC001590661127 1173484941 /nfs/dbraw/zinc/48/49/41/1173484941.db2.gz WNWSHHAHIHJWKK-UHFFFAOYSA-N -1 1 290.312 1.143 20 0 CDADMM CCN(C(=O)NCc1ccc(-c2nn[n-]n2)s1)C(C)C ZINC001590671708 1173485588 /nfs/dbraw/zinc/48/55/88/1173485588.db2.gz IIXOSBOVNAFGMR-UHFFFAOYSA-N -1 1 294.384 1.868 20 0 CDADMM CCOCn1cc(-c2nn[n-]n2)c2ccsc2c1=O ZINC001590818084 1173522639 /nfs/dbraw/zinc/52/26/39/1173522639.db2.gz CAYZEUMFJQIDMW-UHFFFAOYSA-N -1 1 277.309 1.237 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N(CC)CC(F)F)n1 ZINC001590904616 1173537960 /nfs/dbraw/zinc/53/79/60/1173537960.db2.gz BZAVXNCWFOPVCW-UHFFFAOYSA-N -1 1 283.286 1.311 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N(CC)CC(F)F)n1 ZINC001590904616 1173537965 /nfs/dbraw/zinc/53/79/65/1173537965.db2.gz BZAVXNCWFOPVCW-UHFFFAOYSA-N -1 1 283.286 1.311 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](C)[C@@H](C)C2)n1 ZINC001590905672 1173538345 /nfs/dbraw/zinc/53/83/45/1173538345.db2.gz JXHXRONUYOOJPR-UWVGGRQHSA-N -1 1 287.371 1.701 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](C)[C@@H](C)C2)n1 ZINC001590905672 1173538350 /nfs/dbraw/zinc/53/83/50/1173538350.db2.gz JXHXRONUYOOJPR-UWVGGRQHSA-N -1 1 287.371 1.701 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H](C)[C@H](C)[C@H]2C)n1 ZINC001590904882 1173539971 /nfs/dbraw/zinc/53/99/71/1173539971.db2.gz MPIWUNNTOSQFQY-LPEHRKFASA-N -1 1 287.371 1.700 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H](C)[C@H](C)[C@H]2C)n1 ZINC001590904882 1173539975 /nfs/dbraw/zinc/53/99/75/1173539975.db2.gz MPIWUNNTOSQFQY-LPEHRKFASA-N -1 1 287.371 1.700 20 0 CDADMM CCc1nc(NCCc2ccco2)cc(-c2nnn[n-]2)n1 ZINC001590922351 1173545231 /nfs/dbraw/zinc/54/52/31/1173545231.db2.gz MZLHHJFBRRDQHV-UHFFFAOYSA-N -1 1 285.311 1.467 20 0 CDADMM CCc1nc(NCCc2ccco2)cc(-c2nn[n-]n2)n1 ZINC001590922351 1173545235 /nfs/dbraw/zinc/54/52/35/1173545235.db2.gz MZLHHJFBRRDQHV-UHFFFAOYSA-N -1 1 285.311 1.467 20 0 CDADMM CCc1nnc(Sc2cccc(-c3nnn[n-]3)n2)o1 ZINC001590933987 1173546100 /nfs/dbraw/zinc/54/61/00/1173546100.db2.gz NZAZDPKTUMYRHX-UHFFFAOYSA-N -1 1 275.297 1.358 20 0 CDADMM CCc1nnc(Sc2cccc(-c3nn[n-]n3)n2)o1 ZINC001590933987 1173546104 /nfs/dbraw/zinc/54/61/04/1173546104.db2.gz NZAZDPKTUMYRHX-UHFFFAOYSA-N -1 1 275.297 1.358 20 0 CDADMM CCc1occc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001590939033 1173546849 /nfs/dbraw/zinc/54/68/49/1173546849.db2.gz JQPNDMJAZMVQEV-UHFFFAOYSA-N -1 1 299.290 1.980 20 0 CDADMM CCc1occc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001590938923 1173547254 /nfs/dbraw/zinc/54/72/54/1173547254.db2.gz BZWFCPDGHHLNIL-UHFFFAOYSA-N -1 1 299.290 1.774 20 0 CDADMM CCc1occc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001590938923 1173547261 /nfs/dbraw/zinc/54/72/61/1173547261.db2.gz BZWFCPDGHHLNIL-UHFFFAOYSA-N -1 1 299.290 1.774 20 0 CDADMM CN(Cc1ccc(-c2nnn[n-]2)o1)c1cccc(O)c1 ZINC001591138757 1173578211 /nfs/dbraw/zinc/57/82/11/1173578211.db2.gz IFPOEIIPJVLLMC-UHFFFAOYSA-N -1 1 271.280 1.802 20 0 CDADMM CN(Cc1ccc(-c2nn[n-]n2)o1)c1cccc(O)c1 ZINC001591138757 1173578217 /nfs/dbraw/zinc/57/82/17/1173578217.db2.gz IFPOEIIPJVLLMC-UHFFFAOYSA-N -1 1 271.280 1.802 20 0 CDADMM CN(c1cc(-c2nnn[n-]2)nc2ccccc21)C1CC(O)C1 ZINC001591154599 1173584079 /nfs/dbraw/zinc/58/40/79/1173584079.db2.gz ASWINXOQKGWRMJ-UHFFFAOYSA-N -1 1 296.334 1.374 20 0 CDADMM CN(c1cc(-c2nn[n-]n2)nc2ccccc21)C1CC(O)C1 ZINC001591154599 1173584086 /nfs/dbraw/zinc/58/40/86/1173584086.db2.gz ASWINXOQKGWRMJ-UHFFFAOYSA-N -1 1 296.334 1.374 20 0 CDADMM CO[C@@H](C(=O)Nc1ncc(-c2nnn[n-]2)s1)C1CCC1 ZINC001591317992 1173604867 /nfs/dbraw/zinc/60/48/67/1173604867.db2.gz YMUCLXJELHTLSK-MRVPVSSYSA-N -1 1 294.340 1.077 20 0 CDADMM CO[C@@H](C(=O)Nc1ncc(-c2nn[n-]n2)s1)C1CCC1 ZINC001591317992 1173604872 /nfs/dbraw/zinc/60/48/72/1173604872.db2.gz YMUCLXJELHTLSK-MRVPVSSYSA-N -1 1 294.340 1.077 20 0 CDADMM COC1(CNc2cc(-c3nnn[n-]3)nc(C)n2)CCCC1 ZINC001591343148 1173621011 /nfs/dbraw/zinc/62/10/11/1173621011.db2.gz OPMRLFCNOZQWHW-UHFFFAOYSA-N -1 1 289.343 1.336 20 0 CDADMM COC1(CNc2cc(-c3nn[n-]n3)nc(C)n2)CCCC1 ZINC001591343148 1173621016 /nfs/dbraw/zinc/62/10/16/1173621016.db2.gz OPMRLFCNOZQWHW-UHFFFAOYSA-N -1 1 289.343 1.336 20 0 CDADMM CO[C@@H]1[C@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1(C)C ZINC001591346543 1173621099 /nfs/dbraw/zinc/62/10/99/1173621099.db2.gz WTVVFAFBGGEDLD-PPKCKEKNSA-N -1 1 289.343 1.128 20 0 CDADMM CO[C@@H]1[C@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1(C)C ZINC001591346543 1173621104 /nfs/dbraw/zinc/62/11/04/1173621104.db2.gz WTVVFAFBGGEDLD-PPKCKEKNSA-N -1 1 289.343 1.128 20 0 CDADMM COC1(COC(=O)c2ccc(-c3nnn[n-]3)s2)CCC1 ZINC001591343631 1173621140 /nfs/dbraw/zinc/62/11/40/1173621140.db2.gz CGWJLDOELDFFIE-UHFFFAOYSA-N -1 1 294.336 1.654 20 0 CDADMM COC1(COC(=O)c2ccc(-c3nn[n-]n3)s2)CCC1 ZINC001591343631 1173621143 /nfs/dbraw/zinc/62/11/43/1173621143.db2.gz CGWJLDOELDFFIE-UHFFFAOYSA-N -1 1 294.336 1.654 20 0 CDADMM COc1ccc(C=O)cc1Oc1ncccc1-c1nn[n-]n1 ZINC001591582199 1173670610 /nfs/dbraw/zinc/67/06/10/1173670610.db2.gz AEOWPFWXWNJOFH-UHFFFAOYSA-N -1 1 297.274 1.875 20 0 CDADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001591770897 1173699631 /nfs/dbraw/zinc/69/96/31/1173699631.db2.gz ONNWLNKBXSOYKG-QMMMGPOBSA-N -1 1 259.317 1.069 20 0 CDADMM C[C@]12CN(c3nccnc3-c3nnn[n-]3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001591780618 1173701223 /nfs/dbraw/zinc/70/12/23/1173701223.db2.gz OWIBMTKXBNDZEW-BQVMBELUSA-N -1 1 297.366 1.529 20 0 CDADMM C[C@]12CN(c3nccnc3-c3nn[n-]n3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001591780618 1173701226 /nfs/dbraw/zinc/70/12/26/1173701226.db2.gz OWIBMTKXBNDZEW-BQVMBELUSA-N -1 1 297.366 1.529 20 0 CDADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@H]2C(C)C)nn1C ZINC001591798438 1173707577 /nfs/dbraw/zinc/70/75/77/1173707577.db2.gz IYYLYQNCKRFSLY-DTWKUNHWSA-N -1 1 289.343 1.139 20 0 CDADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@H]2C(C)C)nn1C ZINC001591798438 1173707579 /nfs/dbraw/zinc/70/75/79/1173707579.db2.gz IYYLYQNCKRFSLY-DTWKUNHWSA-N -1 1 289.343 1.139 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H]2CCCS2)n1 ZINC001591895895 1173741148 /nfs/dbraw/zinc/74/11/48/1173741148.db2.gz XRXDCHMGOULUCW-VIFPVBQESA-N -1 1 291.384 1.663 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H]2CCCS2)n1 ZINC001591895895 1173741149 /nfs/dbraw/zinc/74/11/49/1173741149.db2.gz XRXDCHMGOULUCW-VIFPVBQESA-N -1 1 291.384 1.663 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCc2ccc(CO)cc2)n1 ZINC001591901054 1173744469 /nfs/dbraw/zinc/74/44/69/1173744469.db2.gz XKSKCRCLWSUPDC-UHFFFAOYSA-N -1 1 297.322 1.070 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCc2ccc(CO)cc2)n1 ZINC001591901054 1173744473 /nfs/dbraw/zinc/74/44/73/1173744473.db2.gz XKSKCRCLWSUPDC-UHFFFAOYSA-N -1 1 297.322 1.070 20 0 CDADMM Cc1cc(F)ccc1OC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591993709 1173767035 /nfs/dbraw/zinc/76/70/35/1173767035.db2.gz ZYMTVOHXTUXZNN-UHFFFAOYSA-N -1 1 299.265 1.928 20 0 CDADMM Cc1cc(F)ccc1OC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591993709 1173767038 /nfs/dbraw/zinc/76/70/38/1173767038.db2.gz ZYMTVOHXTUXZNN-UHFFFAOYSA-N -1 1 299.265 1.928 20 0 CDADMM Cc1nc([C@@H](C)Nc2cc(C)cc(-c3nnn[n-]3)n2)no1 ZINC001592034338 1173779637 /nfs/dbraw/zinc/77/96/37/1173779637.db2.gz IKMUXXXOKJPBBL-SSDOTTSWSA-N -1 1 286.299 1.435 20 0 CDADMM Cc1nc([C@@H](C)Nc2cc(C)cc(-c3nn[n-]n3)n2)no1 ZINC001592034338 1173779645 /nfs/dbraw/zinc/77/96/45/1173779645.db2.gz IKMUXXXOKJPBBL-SSDOTTSWSA-N -1 1 286.299 1.435 20 0 CDADMM Cc1ccc(CCNc2cc(C)nc(-c3nnn[n-]3)c2)cn1 ZINC001592151201 1173811926 /nfs/dbraw/zinc/81/19/26/1173811926.db2.gz IGJNDYQNKUSPSD-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(CCNc2cc(C)nc(-c3nn[n-]n3)c2)cn1 ZINC001592151201 1173811933 /nfs/dbraw/zinc/81/19/33/1173811933.db2.gz IGJNDYQNKUSPSD-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(N2CCCC[C@H]2C)nc1-c1nnn[n-]1 ZINC001592176821 1173824383 /nfs/dbraw/zinc/82/43/83/1173824383.db2.gz PQSHUEGHBFSQDV-SNVBAGLBSA-N -1 1 258.329 1.949 20 0 CDADMM Cc1ccc(N2CCCC[C@H]2C)nc1-c1nn[n-]n1 ZINC001592176821 1173824389 /nfs/dbraw/zinc/82/43/89/1173824389.db2.gz PQSHUEGHBFSQDV-SNVBAGLBSA-N -1 1 258.329 1.949 20 0 CDADMM Cc1ccc(N2CCC[C@](C)(O)CC2)nc1-c1nnn[n-]1 ZINC001592177797 1173824828 /nfs/dbraw/zinc/82/48/28/1173824828.db2.gz KHBKBVBIFVJOGF-AWEZNQCLSA-N -1 1 288.355 1.311 20 0 CDADMM Cc1ccc(N2CCC[C@](C)(O)CC2)nc1-c1nn[n-]n1 ZINC001592177797 1173824834 /nfs/dbraw/zinc/82/48/34/1173824834.db2.gz KHBKBVBIFVJOGF-AWEZNQCLSA-N -1 1 288.355 1.311 20 0 CDADMM Cc1ccc(N[C@@H]2CCS[C@H]2C)c(-c2nnn[n-]2)n1 ZINC001592185020 1173831138 /nfs/dbraw/zinc/83/11/38/1173831138.db2.gz ZXCKPUMFEOBREB-DTWKUNHWSA-N -1 1 276.369 1.876 20 0 CDADMM Cc1ccc(N[C@@H]2CCS[C@H]2C)c(-c2nn[n-]n2)n1 ZINC001592185020 1173831144 /nfs/dbraw/zinc/83/11/44/1173831144.db2.gz ZXCKPUMFEOBREB-DTWKUNHWSA-N -1 1 276.369 1.876 20 0 CDADMM Cc1ccnc(CNc2cc(-c3nnn[n-]3)nc(C)n2)c1 ZINC001592271692 1173837503 /nfs/dbraw/zinc/83/75/03/1173837503.db2.gz HTIKAHPSJXSZDM-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1ccnc(CNc2cc(-c3nn[n-]n3)nc(C)n2)c1 ZINC001592271692 1173837507 /nfs/dbraw/zinc/83/75/07/1173837507.db2.gz HTIKAHPSJXSZDM-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](C)[C@@H]2C)n1 ZINC001592338069 1173857043 /nfs/dbraw/zinc/85/70/43/1173857043.db2.gz UUWSSSWMXUEZPU-SFYZADRCSA-N -1 1 259.317 1.200 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]2C(C)(C)C)n1 ZINC001592338059 1173858946 /nfs/dbraw/zinc/85/89/46/1173858946.db2.gz UPIVVPSDSJEEAL-SNVBAGLBSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]2C(C)(C)C)n1 ZINC001592338059 1173858952 /nfs/dbraw/zinc/85/89/52/1173858952.db2.gz UPIVVPSDSJEEAL-SNVBAGLBSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@H]3CCCC[C@H]3C2)n1 ZINC001592338027 1173859552 /nfs/dbraw/zinc/85/95/52/1173859552.db2.gz SQGIXOCDWYQUIM-NEPJUHHUSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@H]3CCCC[C@H]3C2)n1 ZINC001592338027 1173859556 /nfs/dbraw/zinc/85/95/56/1173859556.db2.gz SQGIXOCDWYQUIM-NEPJUHHUSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1nnc(Sc2snc(C)c2-c2nnn[n-]2)s1 ZINC001592450619 1173894455 /nfs/dbraw/zinc/89/44/55/1173894455.db2.gz UGIXGDNOCGSOIE-UHFFFAOYSA-N -1 1 297.394 1.943 20 0 CDADMM Cc1nnc(Sc2snc(C)c2-c2nn[n-]n2)s1 ZINC001592450619 1173894461 /nfs/dbraw/zinc/89/44/61/1173894461.db2.gz UGIXGDNOCGSOIE-UHFFFAOYSA-N -1 1 297.394 1.943 20 0 CDADMM Cc1nsc(N(C)CCCCCO)c1-c1nn[n-]n1 ZINC001592469519 1173896626 /nfs/dbraw/zinc/89/66/26/1173896626.db2.gz NFRSIEXLRWHZLX-UHFFFAOYSA-N -1 1 282.373 1.230 20 0 CDADMM Cc1occc1-c1noc(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001592510810 1173909129 /nfs/dbraw/zinc/90/91/29/1173909129.db2.gz XYFWTPRUJNZQGU-UHFFFAOYSA-N -1 1 295.262 1.880 20 0 CDADMM Cc1occc1-c1noc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001592510810 1173909133 /nfs/dbraw/zinc/90/91/33/1173909133.db2.gz XYFWTPRUJNZQGU-UHFFFAOYSA-N -1 1 295.262 1.880 20 0 CDADMM Clc1nsc(N2CCC3(CC3)C2)c1-c1nnn[n-]1 ZINC001592537988 1173916624 /nfs/dbraw/zinc/91/66/24/1173916624.db2.gz NVZPDLKAQWDLRS-UHFFFAOYSA-N -1 1 282.760 1.967 20 0 CDADMM Clc1nsc(N2CCC3(CC3)C2)c1-c1nn[n-]n1 ZINC001592537988 1173916628 /nfs/dbraw/zinc/91/66/28/1173916628.db2.gz NVZPDLKAQWDLRS-UHFFFAOYSA-N -1 1 282.760 1.967 20 0 CDADMM FC(F)(F)C[C@H]1CCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001592615615 1173930982 /nfs/dbraw/zinc/93/09/82/1173930982.db2.gz KAHJGAPFNLXUBY-SSDOTTSWSA-N -1 1 299.260 1.435 20 0 CDADMM FC(F)(F)C[C@H]1CCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001592615615 1173930986 /nfs/dbraw/zinc/93/09/86/1173930986.db2.gz KAHJGAPFNLXUBY-SSDOTTSWSA-N -1 1 299.260 1.435 20 0 CDADMM F[C@@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC001592632519 1173945597 /nfs/dbraw/zinc/94/55/97/1173945597.db2.gz HCWJEFSZSFJKJN-MRVPVSSYSA-N -1 1 285.286 1.358 20 0 CDADMM F[C@@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001592632519 1173945601 /nfs/dbraw/zinc/94/56/01/1173945601.db2.gz HCWJEFSZSFJKJN-MRVPVSSYSA-N -1 1 285.286 1.358 20 0 CDADMM Fc1ccc2c(c1)N(c1ncncc1-c1nn[n-]n1)CC2 ZINC001592655476 1173954237 /nfs/dbraw/zinc/95/42/37/1173954237.db2.gz UTHNJSBOEBWUNO-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM O=C(CCCC1CC1)OCc1cccnc1-c1nnn[n-]1 ZINC001592836621 1173996860 /nfs/dbraw/zinc/99/68/60/1173996860.db2.gz BERJHEXSHKOJRW-UHFFFAOYSA-N -1 1 287.323 1.885 20 0 CDADMM O=C(CCCC1CC1)OCc1cccnc1-c1nn[n-]n1 ZINC001592836621 1173996870 /nfs/dbraw/zinc/99/68/70/1173996870.db2.gz BERJHEXSHKOJRW-UHFFFAOYSA-N -1 1 287.323 1.885 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC001592914464 1174003251 /nfs/dbraw/zinc/00/32/51/1174003251.db2.gz AGHDFNJMWVFRGW-WOPDTQHZSA-N -1 1 298.350 1.109 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC001592914464 1174003258 /nfs/dbraw/zinc/00/32/58/1174003258.db2.gz AGHDFNJMWVFRGW-WOPDTQHZSA-N -1 1 298.350 1.109 20 0 CDADMM O=C(N[C@H]1C=CCCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001592965022 1174005874 /nfs/dbraw/zinc/00/58/74/1174005874.db2.gz CVGBEHLNQHMIOH-QMMMGPOBSA-N -1 1 259.269 1.298 20 0 CDADMM O=C(N[C@H]1C=CCCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001592965022 1174005880 /nfs/dbraw/zinc/00/58/80/1174005880.db2.gz CVGBEHLNQHMIOH-QMMMGPOBSA-N -1 1 259.269 1.298 20 0 CDADMM O=C(NC1(C(F)F)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC001592956923 1174005893 /nfs/dbraw/zinc/00/58/93/1174005893.db2.gz OBZBTURRFNJDNM-UHFFFAOYSA-N -1 1 285.279 1.456 20 0 CDADMM O=C(NC1(C(F)F)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC001592956923 1174005896 /nfs/dbraw/zinc/00/58/96/1174005896.db2.gz OBZBTURRFNJDNM-UHFFFAOYSA-N -1 1 285.279 1.456 20 0 CDADMM O=C(N[C@@H]1CCC(F)(F)C1)c1ccsc1-c1nnn[n-]1 ZINC001592972331 1174010578 /nfs/dbraw/zinc/01/05/78/1174010578.db2.gz KRLGZUXUTTZCAO-ZCFIWIBFSA-N -1 1 299.306 1.846 20 0 CDADMM O=C(N[C@@H]1CCC(F)(F)C1)c1ccsc1-c1nn[n-]n1 ZINC001592972331 1174010583 /nfs/dbraw/zinc/01/05/83/1174010583.db2.gz KRLGZUXUTTZCAO-ZCFIWIBFSA-N -1 1 299.306 1.846 20 0 CDADMM O=C(NCC(F)(F)C(F)F)c1ccc(-c2nnn[n-]2)o1 ZINC001593010007 1174013951 /nfs/dbraw/zinc/01/39/51/1174013951.db2.gz XXBNNOJLIQMSAZ-UHFFFAOYSA-N -1 1 293.180 1.090 20 0 CDADMM O=C(NCC(F)(F)C(F)F)c1ccc(-c2nn[n-]n2)o1 ZINC001593010007 1174013962 /nfs/dbraw/zinc/01/39/62/1174013962.db2.gz XXBNNOJLIQMSAZ-UHFFFAOYSA-N -1 1 293.180 1.090 20 0 CDADMM O=C(NCCCC1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593066544 1174021955 /nfs/dbraw/zinc/02/19/55/1174021955.db2.gz FXLWOFDYPLDASX-UHFFFAOYSA-N -1 1 272.312 1.182 20 0 CDADMM O=C(NCCCCCCO)c1ccsc1-c1nnn[n-]1 ZINC001593067626 1174022481 /nfs/dbraw/zinc/02/24/81/1174022481.db2.gz CXXWZMLHWWMDRX-UHFFFAOYSA-N -1 1 295.368 1.211 20 0 CDADMM O=C(NCCCCCCO)c1ccsc1-c1nn[n-]n1 ZINC001593067626 1174022487 /nfs/dbraw/zinc/02/24/87/1174022487.db2.gz CXXWZMLHWWMDRX-UHFFFAOYSA-N -1 1 295.368 1.211 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1C=CCCC1 ZINC001593244202 1174038200 /nfs/dbraw/zinc/03/82/00/1174038200.db2.gz NUQCVYXBRIONNS-SECBINFHSA-N -1 1 285.311 1.492 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1C=CCCC1 ZINC001593244202 1174038206 /nfs/dbraw/zinc/03/82/06/1174038206.db2.gz NUQCVYXBRIONNS-SECBINFHSA-N -1 1 285.311 1.492 20 0 CDADMM O=C(Nc1ccccc1O)c1csc(-c2nn[n-]n2)c1 ZINC001593253349 1174039247 /nfs/dbraw/zinc/03/92/47/1174039247.db2.gz JKIFDFKCFMVZTI-UHFFFAOYSA-N -1 1 287.304 1.886 20 0 CDADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)C(C1CC1)C1CC1 ZINC001593297201 1174056290 /nfs/dbraw/zinc/05/62/90/1174056290.db2.gz AQYAXFCBNDDBNL-UHFFFAOYSA-N -1 1 288.307 1.939 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)C(C1CC1)C1CC1 ZINC001593297201 1174056297 /nfs/dbraw/zinc/05/62/97/1174056297.db2.gz AQYAXFCBNDDBNL-UHFFFAOYSA-N -1 1 288.307 1.939 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@H]1C1CCC1 ZINC001593349063 1174068883 /nfs/dbraw/zinc/06/88/83/1174068883.db2.gz XSESRCKWGSJSBE-ZDUSSCGKSA-N -1 1 298.350 1.666 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@H]1C1CCC1 ZINC001593349063 1174068887 /nfs/dbraw/zinc/06/88/87/1174068887.db2.gz XSESRCKWGSJSBE-ZDUSSCGKSA-N -1 1 298.350 1.666 20 0 CDADMM OC1(CNc2cccnc2-c2nnn[n-]2)CCCCCC1 ZINC001593517286 1174097602 /nfs/dbraw/zinc/09/76/02/1174097602.db2.gz ZLOBLBQNXFEYCS-UHFFFAOYSA-N -1 1 288.355 1.759 20 0 CDADMM OC1(CNc2cccnc2-c2nn[n-]n2)CCCCCC1 ZINC001593517286 1174097606 /nfs/dbraw/zinc/09/76/06/1174097606.db2.gz ZLOBLBQNXFEYCS-UHFFFAOYSA-N -1 1 288.355 1.759 20 0 CDADMM Oc1ccc2c(c1)[C@H](Nc1cc(-c3nnn[n-]3)ncn1)CC2 ZINC001593540629 1174111427 /nfs/dbraw/zinc/11/14/27/1174111427.db2.gz YMXPTHZRTPRKPA-LLVKDONJSA-N -1 1 295.306 1.462 20 0 CDADMM Oc1ccc2c(c1)[C@H](Nc1cc(-c3nn[n-]n3)ncn1)CC2 ZINC001593540629 1174111429 /nfs/dbraw/zinc/11/14/29/1174111429.db2.gz YMXPTHZRTPRKPA-LLVKDONJSA-N -1 1 295.306 1.462 20 0 CDADMM c1cc(N2CCC3(C2)CCOCC3)cc(-c2nnn[n-]2)n1 ZINC001593559214 1174134040 /nfs/dbraw/zinc/13/40/40/1174134040.db2.gz LYTNPOQHBYAWNW-UHFFFAOYSA-N -1 1 286.339 1.269 20 0 CDADMM c1cc(N2CCC3(C2)CCOCC3)cc(-c2nn[n-]n2)n1 ZINC001593559214 1174134043 /nfs/dbraw/zinc/13/40/43/1174134043.db2.gz LYTNPOQHBYAWNW-UHFFFAOYSA-N -1 1 286.339 1.269 20 0 CDADMM c1c(-c2nn[n-]n2)nnn1Cc1ccc2cnccc2c1 ZINC001593564207 1174139084 /nfs/dbraw/zinc/13/90/84/1174139084.db2.gz FUTYKDTXHNGUQN-UHFFFAOYSA-N -1 1 278.279 1.055 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(Oc2ccc3cnccc3c2)n1 ZINC001593564511 1174139316 /nfs/dbraw/zinc/13/93/16/1174139316.db2.gz IOBKBYBCCJLDAG-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N2CC[C@H]3OCCC[C@H]3C2)c1 ZINC001593582848 1174147163 /nfs/dbraw/zinc/14/71/63/1174147163.db2.gz BHKDRYJMWKHXAN-CMPLNLGQSA-N -1 1 286.339 1.267 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N2CC[C@H]3OCCC[C@H]3C2)c1 ZINC001593582848 1174147170 /nfs/dbraw/zinc/14/71/70/1174147170.db2.gz BHKDRYJMWKHXAN-CMPLNLGQSA-N -1 1 286.339 1.267 20 0 CDADMM c1oc(C2CC2)nc1COc1cccnc1-c1nnn[n-]1 ZINC001593584235 1174152818 /nfs/dbraw/zinc/15/28/18/1174152818.db2.gz JMYONQPOUWTXET-UHFFFAOYSA-N -1 1 284.279 1.706 20 0 CDADMM c1oc(C2CC2)nc1COc1cccnc1-c1nn[n-]n1 ZINC001593584235 1174152821 /nfs/dbraw/zinc/15/28/21/1174152821.db2.gz JMYONQPOUWTXET-UHFFFAOYSA-N -1 1 284.279 1.706 20 0 CDADMM c1cncc([C@@H](Nc2ccnc(-c3nnn[n-]3)c2)C2CC2)c1 ZINC001593588332 1174155508 /nfs/dbraw/zinc/15/55/08/1174155508.db2.gz XJTGHHFYTWBEKS-AWEZNQCLSA-N -1 1 293.334 1.642 20 0 CDADMM c1cncc([C@@H](Nc2ccnc(-c3nn[n-]n3)c2)C2CC2)c1 ZINC001593588332 1174155513 /nfs/dbraw/zinc/15/55/13/1174155513.db2.gz XJTGHHFYTWBEKS-AWEZNQCLSA-N -1 1 293.334 1.642 20 0 CDADMM c1cc(CNc2cc(-c3nnn[n-]3)ncn2)cc2c1CCC2 ZINC001593590673 1174158081 /nfs/dbraw/zinc/15/80/81/1174158081.db2.gz BTSXNUDRARVUAR-UHFFFAOYSA-N -1 1 293.334 1.758 20 0 CDADMM c1cc(CNc2cc(-c3nn[n-]n3)ncn2)cc2c1CCC2 ZINC001593590673 1174158085 /nfs/dbraw/zinc/15/80/85/1174158085.db2.gz BTSXNUDRARVUAR-UHFFFAOYSA-N -1 1 293.334 1.758 20 0 CDADMM c1cn(C2CC2)c(Sc2cc(-c3nnn[n-]3)ncn2)n1 ZINC001593591557 1174160926 /nfs/dbraw/zinc/16/09/26/1174160926.db2.gz NECCPIJXOZXXBA-UHFFFAOYSA-N -1 1 286.324 1.339 20 0 CDADMM c1cn(C2CC2)c(Sc2cc(-c3nn[n-]n3)ncn2)n1 ZINC001593591557 1174160930 /nfs/dbraw/zinc/16/09/30/1174160930.db2.gz NECCPIJXOZXXBA-UHFFFAOYSA-N -1 1 286.324 1.339 20 0 CDADMM c1cn2ncc(-c3nn[n-]n3)c2n1Cc1coc(C2CC2)n1 ZINC001593594744 1174161740 /nfs/dbraw/zinc/16/17/40/1174161740.db2.gz WKJWKPMJAFCFHQ-UHFFFAOYSA-N -1 1 296.294 1.230 20 0 CDADMM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@@H]2N1Cc1ccnn1C ZINC001594338953 1174181790 /nfs/dbraw/zinc/18/17/90/1174181790.db2.gz GIMJUBGOKRMHDL-LPTSXCQYSA-N -1 1 279.340 1.015 20 0 CDADMM Cc1c(C(=O)[O-])cc(CNCc2cnc3cnccn23)n1C ZINC001599994541 1174335536 /nfs/dbraw/zinc/33/55/36/1174335536.db2.gz ZSOSJNFMQLBGAB-UHFFFAOYSA-N -1 1 299.334 1.364 20 0 CDADMM Cc1cc(C(=O)[O-])oc1C(=O)NC(C)(C)c1c[nH]nn1 ZINC001600131052 1174372303 /nfs/dbraw/zinc/37/23/03/1174372303.db2.gz HKRYWIPSDWTRRO-UHFFFAOYSA-N -1 1 278.268 1.069 20 0 CDADMM Cc1cc(C)cc([C@@H](O)CNCc2cc(C(=O)[O-])no2)c1 ZINC001600171184 1174386654 /nfs/dbraw/zinc/38/66/54/1174386654.db2.gz QXQFKWBAZDJYEL-AWEZNQCLSA-N -1 1 290.319 1.813 20 0 CDADMM Cc1cc(CC(=O)O[C@@H](CC(C)(C)C)C(=O)[O-])n[nH]1 ZINC001600187179 1174391840 /nfs/dbraw/zinc/39/18/40/1174391840.db2.gz QMTAYOIXUBAYHT-JTQLQIEISA-N -1 1 268.313 1.693 20 0 CDADMM Cc1cc(CN[C@@H]2c3ccccc3C[C@@H]2O)[nH]c1C(=O)[O-] ZINC001600206859 1174408825 /nfs/dbraw/zinc/40/88/25/1174408825.db2.gz RTXDSVCOODIFDP-DZGCQCFKSA-N -1 1 286.331 1.769 20 0 CDADMM Cc1ccc([C@H](NCc2cnc[nH]2)C(=O)[O-])cc1C ZINC001600384809 1174459254 /nfs/dbraw/zinc/45/92/54/1174459254.db2.gz LGACVAUMIQNFGY-ZDUSSCGKSA-N -1 1 259.309 1.942 20 0 CDADMM Cc1ccc2nc(CNC(=O)c3ccc(C(=O)[O-])[nH]3)[nH]c2c1 ZINC001600490051 1174489249 /nfs/dbraw/zinc/48/92/49/1174489249.db2.gz YRBGJONWLMNDNK-UHFFFAOYSA-N -1 1 298.302 1.828 20 0 CDADMM Cc1nccn1-c1ccncc1NC(=O)CCCC(=O)[O-] ZINC001600754277 1174593858 /nfs/dbraw/zinc/59/38/58/1174593858.db2.gz DPBHDCFYDZVITI-UHFFFAOYSA-N -1 1 288.307 1.769 20 0 CDADMM Cc1ncsc1CCN1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001600759762 1174598352 /nfs/dbraw/zinc/59/83/52/1174598352.db2.gz UJTVOSBRCUYWRT-ZDUSSCGKSA-N -1 1 295.364 1.299 20 0 CDADMM Cc1noc([C@H]2OCC[C@H]2NCc2ccc(C(=O)[O-])o2)n1 ZINC001600817381 1174626744 /nfs/dbraw/zinc/62/67/44/1174626744.db2.gz UZJKUZTWJLVERA-KOLCDFICSA-N -1 1 293.279 1.289 20 0 CDADMM Cn1cc(C(C)(C)NCc2ccc(C(=O)[O-])[nH]2)cn1 ZINC001600937733 1174670160 /nfs/dbraw/zinc/67/01/60/1174670160.db2.gz CKIZUSJQVOLEJM-UHFFFAOYSA-N -1 1 262.313 1.471 20 0 CDADMM Nc1cc(CCCCNC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)ccn1 ZINC001601212429 1174791152 /nfs/dbraw/zinc/79/11/52/1174791152.db2.gz NKAPBUWANOCTEH-TXEJJXNPSA-N -1 1 291.351 1.214 20 0 CDADMM O=C([O-])c1cc(C(=O)NCc2ccc3nc[nH]c3c2)no1 ZINC001601540531 1174896566 /nfs/dbraw/zinc/89/65/66/1174896566.db2.gz HKWSHCFJCMUOJT-UHFFFAOYSA-N -1 1 286.247 1.179 20 0 CDADMM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2ncccn2)C1 ZINC001601727651 1174970028 /nfs/dbraw/zinc/97/00/28/1174970028.db2.gz AXHCUPJSHFBFPA-MRXNPFEDSA-N -1 1 283.331 1.705 20 0 CDADMM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1nncs1 ZINC001601757706 1174991629 /nfs/dbraw/zinc/99/16/29/1174991629.db2.gz XZPKCOWQAIBXGS-MRTMQBJTSA-N -1 1 253.327 1.223 20 0 CDADMM O=C([O-])C1CC2(C1)C[N@@H+](C[C@H]1CCSC1)C[C@@H]2C(=O)[O-] ZINC001601783655 1175004326 /nfs/dbraw/zinc/00/43/26/1175004326.db2.gz XYUGSBTZKITCGP-FQYCYVTBSA-N -1 1 299.392 1.237 20 0 CDADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1ccccn1)C[C@@H]2C(=O)[O-] ZINC001601784241 1175005097 /nfs/dbraw/zinc/00/50/97/1175005097.db2.gz ZKYIPOAUBQVBKW-WBFHCKIUSA-N -1 1 290.319 1.079 20 0 CDADMM O=C([O-])C1CN(C(=O)c2cn[nH]c2-c2ccccc2F)C1 ZINC001601844823 1175033159 /nfs/dbraw/zinc/03/31/59/1175033159.db2.gz FMIKEIIGKSGELK-UHFFFAOYSA-N -1 1 289.266 1.372 20 0 CDADMM O=C([O-])C[C@@]1(NCc2cn(C3CC3)cn2)CCCOC1 ZINC001601935767 1175073387 /nfs/dbraw/zinc/07/33/87/1175073387.db2.gz CJHQRWOCVDUVSD-AWEZNQCLSA-N -1 1 279.340 1.332 20 0 CDADMM O=C([O-])Cc1c[nH]n(Cc2ccc(F)cc2F)c1=O ZINC001601941879 1175076643 /nfs/dbraw/zinc/07/66/43/1175076643.db2.gz VHSIKQIHEIUVEH-QMMMGPOBSA-N -1 1 268.219 1.384 20 0 CDADMM O=C([O-])CCN1CC[C@H](N2CCc3ccccc3C2)C1=O ZINC001602016724 1175112644 /nfs/dbraw/zinc/11/26/44/1175112644.db2.gz PCYCVUSCEAPVFZ-AWEZNQCLSA-N -1 1 288.347 1.120 20 0 CDADMM O=C([O-])c1cc(CN2CCC[C@H]2c2nnc[nH]2)cs1 ZINC001602256479 1175183637 /nfs/dbraw/zinc/18/36/37/1175183637.db2.gz ARLAZRRXOSKYLE-VIFPVBQESA-N -1 1 278.337 1.902 20 0 CDADMM O=C([O-])[C@H](OC(=O)c1cc2[nH]cnc2cc1F)C1CC1 ZINC001602598579 1175315484 /nfs/dbraw/zinc/31/54/84/1175315484.db2.gz PFTBLUMHIAPFDZ-LLVKDONJSA-N -1 1 278.239 1.722 20 0 CDADMM O=CN1CCCN([C@@H](C(=O)[O-])c2ccccc2F)CC1 ZINC001602663064 1175342653 /nfs/dbraw/zinc/34/26/53/1175342653.db2.gz JLNRSIVEPVXCBP-CYBMUJFWSA-N -1 1 280.299 1.116 20 0 CDADMM CC(C)(C)[C@H]1CN(c2cccnc2-c2nnn[n-]2)CCO1 ZINC001603067822 1175485358 /nfs/dbraw/zinc/48/53/58/1175485358.db2.gz RJRIOZNGVYOFGN-LLVKDONJSA-N -1 1 288.355 1.513 20 0 CDADMM CC(C)(C)[C@H]1CN(c2cccnc2-c2nn[n-]n2)CCO1 ZINC001603067822 1175485363 /nfs/dbraw/zinc/48/53/63/1175485363.db2.gz RJRIOZNGVYOFGN-LLVKDONJSA-N -1 1 288.355 1.513 20 0 CDADMM CC(C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001603150908 1175502562 /nfs/dbraw/zinc/50/25/62/1175502562.db2.gz YAWSRZTWHZBQGS-UHFFFAOYSA-N -1 1 259.317 1.505 20 0 CDADMM CC(C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001603150908 1175502567 /nfs/dbraw/zinc/50/25/67/1175502567.db2.gz YAWSRZTWHZBQGS-UHFFFAOYSA-N -1 1 259.317 1.505 20 0 CDADMM CC(C)(C)N1CC[C@H]1C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001603344758 1175545098 /nfs/dbraw/zinc/54/50/98/1175545098.db2.gz RONMGUKOGMQZHH-TUAOUCFPSA-N -1 1 282.384 1.619 20 0 CDADMM C[C@H](CCCO)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001603477698 1175555546 /nfs/dbraw/zinc/55/55/46/1175555546.db2.gz XRZPHFPAEDPYDH-MRVPVSSYSA-N -1 1 296.762 1.736 20 0 CDADMM C[C@H](CCCO)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001603477698 1175555553 /nfs/dbraw/zinc/55/55/53/1175555553.db2.gz XRZPHFPAEDPYDH-MRVPVSSYSA-N -1 1 296.762 1.736 20 0 CDADMM C[C@@H](CCO)Sc1ccnc(-c2nnn[n-]2)c1 ZINC001603495487 1175558023 /nfs/dbraw/zinc/55/80/23/1175558023.db2.gz QLDQQWLKBMEXQC-ZETCQYMHSA-N -1 1 251.315 1.125 20 0 CDADMM C[C@@H](CCO)Sc1ccnc(-c2nn[n-]n2)c1 ZINC001603495487 1175558028 /nfs/dbraw/zinc/55/80/28/1175558028.db2.gz QLDQQWLKBMEXQC-ZETCQYMHSA-N -1 1 251.315 1.125 20 0 CDADMM CC(C)(C)c1n[nH]cc1CN1CCC([C@H](O)C(=O)[O-])CC1 ZINC001603550788 1175564414 /nfs/dbraw/zinc/56/44/14/1175564414.db2.gz GXXQJMLOMKSTRA-LBPRGKRZSA-N -1 1 295.383 1.365 20 0 CDADMM C[C@@H](Cc1cccs1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001603584601 1175571191 /nfs/dbraw/zinc/57/11/91/1175571191.db2.gz DDLVMAIBZHKNAG-QMMMGPOBSA-N -1 1 287.352 1.183 20 0 CDADMM CC(C)(CNC(=O)[C@H]1CCN1C1CCCC1)CC(=O)[O-] ZINC001603620250 1175579498 /nfs/dbraw/zinc/57/94/98/1175579498.db2.gz BXESKXNEVIQCBI-GFCCVEGCSA-N -1 1 282.384 1.620 20 0 CDADMM C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccc[nH]1 ZINC001603644702 1175584314 /nfs/dbraw/zinc/58/43/14/1175584314.db2.gz ZLLRATWPTICDPB-QMMMGPOBSA-N -1 1 283.295 1.081 20 0 CDADMM C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccc[nH]1 ZINC001603644702 1175584316 /nfs/dbraw/zinc/58/43/16/1175584316.db2.gz ZLLRATWPTICDPB-QMMMGPOBSA-N -1 1 283.295 1.081 20 0 CDADMM CC(C)[C@@](C)(NCc1ccc(C(=O)[O-])cc1F)C(N)=O ZINC001603717417 1175606297 /nfs/dbraw/zinc/60/62/97/1175606297.db2.gz QRWCIWHEDDGHTL-CQSZACIVSA-N -1 1 282.315 1.514 20 0 CDADMM CC1(C)C[C@]1(C)CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001603765434 1175622471 /nfs/dbraw/zinc/62/24/71/1175622471.db2.gz RGTSVBMKFUIRHI-CQSZACIVSA-N -1 1 286.339 1.428 20 0 CDADMM CC1(C)C[C@]1(C)CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001603765434 1175622473 /nfs/dbraw/zinc/62/24/73/1175622473.db2.gz RGTSVBMKFUIRHI-CQSZACIVSA-N -1 1 286.339 1.428 20 0 CDADMM CC1(C)CO[C@@H](CCNc2cccnc2-c2nnn[n-]2)C1 ZINC001603791439 1175633457 /nfs/dbraw/zinc/63/34/57/1175633457.db2.gz LDGXYDUMRLEYCM-JTQLQIEISA-N -1 1 288.355 1.879 20 0 CDADMM CC1(C)CO[C@@H](CCNc2cccnc2-c2nn[n-]n2)C1 ZINC001603791439 1175633462 /nfs/dbraw/zinc/63/34/62/1175633462.db2.gz LDGXYDUMRLEYCM-JTQLQIEISA-N -1 1 288.355 1.879 20 0 CDADMM C[C@]1(F)CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001603809338 1175638850 /nfs/dbraw/zinc/63/88/50/1175638850.db2.gz HQKJBRKTVWRCMA-LBPRGKRZSA-N -1 1 262.292 1.590 20 0 CDADMM C[C@]1(F)CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001603809338 1175638852 /nfs/dbraw/zinc/63/88/52/1175638852.db2.gz HQKJBRKTVWRCMA-LBPRGKRZSA-N -1 1 262.292 1.590 20 0 CDADMM C[C@H]1C[C@@H]1c1noc(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001603871247 1175661296 /nfs/dbraw/zinc/66/12/96/1175661296.db2.gz NFXUXNZMZTZPIQ-XPUUQOCRSA-N -1 1 269.268 1.435 20 0 CDADMM C[C@H]1C[C@@H]1c1noc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001603871247 1175661301 /nfs/dbraw/zinc/66/13/01/1175661301.db2.gz NFXUXNZMZTZPIQ-XPUUQOCRSA-N -1 1 269.268 1.435 20 0 CDADMM C[C@H]1C[C@H]1CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001603870300 1175661915 /nfs/dbraw/zinc/66/19/15/1175661915.db2.gz GUSOREVVAUHGIA-XPUUQOCRSA-N -1 1 293.277 1.531 20 0 CDADMM C[C@H]1C[C@H]1CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001603870300 1175661919 /nfs/dbraw/zinc/66/19/19/1175661919.db2.gz GUSOREVVAUHGIA-XPUUQOCRSA-N -1 1 293.277 1.531 20 0 CDADMM CC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001603870124 1175662620 /nfs/dbraw/zinc/66/26/20/1175662620.db2.gz 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COc1ccc(-c2nnc([C@H]3CCOC3)o2)c([O-])c1 ZINC001255509835 936715928 /nfs/dbraw/zinc/71/59/28/936715928.db2.gz ICBSQSGVZPOPAO-QMMMGPOBSA-N -1 1 262.265 1.955 20 0 CDADMM COC(=O)[C@@H]1CCCN(Cc2[nH]c(C)c(C(=O)[O-])c2C)C1 ZINC001140493738 936716342 /nfs/dbraw/zinc/71/63/42/936716342.db2.gz JDIVWKJFNPYYRH-LLVKDONJSA-N -1 1 294.351 1.715 20 0 CDADMM O=S(=O)(c1ncc[nH]1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001190709003 922127131 /nfs/dbraw/zinc/12/71/31/922127131.db2.gz VQVRBTQBTGMEOE-LBPRGKRZSA-N -1 1 298.412 1.049 20 0 CDADMM O=S(=O)(Nc1nc(Cl)cnc1Cl)c1ncc[n-]1 ZINC001190690898 922139903 /nfs/dbraw/zinc/13/99/03/922139903.db2.gz QDLILQHDRGSOQM-UHFFFAOYSA-N -1 1 294.123 1.307 20 0 CDADMM Cn1cc2ccc([N-]S(=O)(=O)c3ccncc3)cc2n1 ZINC001190888514 922279056 /nfs/dbraw/zinc/27/90/56/922279056.db2.gz VAXXSTCVDAOTCW-UHFFFAOYSA-N -1 1 288.332 1.769 20 0 CDADMM CSc1ncc(C(=O)Nc2ccc(Cl)nn2)c(=O)[n-]1 ZINC001191420644 922552778 /nfs/dbraw/zinc/55/27/78/922552778.db2.gz RHWMBZMVUOOBSN-UHFFFAOYSA-N -1 1 297.727 1.600 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291.760 1.359 20 0 CDADMM O=S(=O)(C[C@H]1CCCO1)Nc1cc([O-])c(F)c(F)c1 ZINC001193263281 923573824 /nfs/dbraw/zinc/57/38/24/923573824.db2.gz BJKLESAPWLXWRC-MRVPVSSYSA-N -1 1 293.291 1.591 20 0 CDADMM O=S(=O)(C[C@H]1CCCO1)[N-]c1cc(O)c(F)c(F)c1 ZINC001193263281 923573829 /nfs/dbraw/zinc/57/38/29/923573829.db2.gz BJKLESAPWLXWRC-MRVPVSSYSA-N -1 1 293.291 1.591 20 0 CDADMM COCCOC(=O)Nc1cc2ccc([O-])cc2oc1=O ZINC001193379378 923647038 /nfs/dbraw/zinc/64/70/38/923647038.db2.gz HBGFGYROCPGMJG-UHFFFAOYSA-N -1 1 279.248 1.694 20 0 CDADMM COCCOC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001193420766 923682420 /nfs/dbraw/zinc/68/24/20/923682420.db2.gz YHIIGAGDTIMUKW-UHFFFAOYSA-N -1 1 277.280 1.773 20 0 CDADMM CCOc1c(C(=O)[N-]c2noc3nccnc23)cnn1C ZINC001194363522 924177026 /nfs/dbraw/zinc/17/70/26/924177026.db2.gz IHBOXYHKRCTCMA-UHFFFAOYSA-N -1 1 288.267 1.002 20 0 CDADMM Cc1ccc([O-])c(C(=O)N2CCC[C@](C)(CO)CC2)n1 ZINC001195321516 924523877 /nfs/dbraw/zinc/52/38/77/924523877.db2.gz FDJBWRBXFNDNDL-HNNXBMFYSA-N -1 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985926629 /nfs/dbraw/zinc/92/66/29/985926629.db2.gz CRGFYSBVWDGLOV-PHDIDXHHSA-N -1 1 291.229 1.187 20 0 CDADMM C[C@@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])c1cccs1 ZINC001589424007 986686338 /nfs/dbraw/zinc/68/63/38/986686338.db2.gz QMHUUSRUIWFQPT-SCZZXKLOSA-N -1 1 293.348 1.387 20 0 CDADMM CC(C)(C(=O)NC[C@@H](CC1CC1)C(=O)[O-])c1cnc[nH]1 ZINC001589566829 987330161 /nfs/dbraw/zinc/33/01/61/987330161.db2.gz GHNMGIXWAHNSNQ-SNVBAGLBSA-N -1 1 279.340 1.304 20 0 CDADMM CC(C)(C)C[C@@H](NCc1ccc(CO)o1)C(=O)[O-] ZINC001589751350 988052203 /nfs/dbraw/zinc/05/22/03/988052203.db2.gz CLQGCQUOPRTAGU-LLVKDONJSA-N -1 1 255.314 1.751 20 0 CDADMM CCc1nnc([C@@H](C)N2CCC[C@](C)(C(=O)[O-])C2)[nH]1 ZINC001597644010 988647357 /nfs/dbraw/zinc/64/73/57/988647357.db2.gz CDPRBIVIOAWJIT-RNCFNFMXSA-N -1 1 266.345 1.615 20 0 CDADMM CCc1nc(CNC(=O)Nc2cc(C(=O)[O-])cs2)n[nH]1 ZINC001597669961 988762901 /nfs/dbraw/zinc/76/29/01/988762901.db2.gz NXOCDRVRMPANCO-UHFFFAOYSA-N -1 1 295.324 1.449 20 0 CDADMM 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C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000530207563 271150625 /nfs/dbraw/zinc/15/06/25/271150625.db2.gz QRTAZNMBUWEJNQ-CQSZACIVSA-N -1 1 263.293 1.824 20 0 CDADMM C[C@@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001590238955 1173311237 /nfs/dbraw/zinc/31/12/37/1173311237.db2.gz XHHMPFJQUOJMFV-OPRDCNLKSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001590238955 1173311243 /nfs/dbraw/zinc/31/12/43/1173311243.db2.gz XHHMPFJQUOJMFV-OPRDCNLKSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CCC[C@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001590238407 1173312001 /nfs/dbraw/zinc/31/20/01/1173312001.db2.gz GMOIDPUNIBKRMG-SFYZADRCSA-N -1 1 275.316 1.355 20 0 CDADMM C[C@@H]1CCC[C@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001590238407 1173312009 /nfs/dbraw/zinc/31/20/09/1173312009.db2.gz GMOIDPUNIBKRMG-SFYZADRCSA-N -1 1 275.316 1.355 20 0 CDADMM C[C@H]1OCC[C@@H]1OC(=O)c1sccc1-c1nn[n-]n1 ZINC001590335051 1173361114 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279228243 /nfs/dbraw/zinc/22/82/43/279228243.db2.gz CFZJYUUJMAUKSU-UHFFFAOYSA-N -1 1 263.326 1.380 20 0 CDADMM COc1cc(CNC(=O)c2c([O-])cccc2F)ccn1 ZINC000119332684 279361392 /nfs/dbraw/zinc/36/13/92/279361392.db2.gz QIJPCBRORLIQPK-UHFFFAOYSA-N -1 1 276.267 1.865 20 0 CDADMM O=C(N[C@H](CO)c1ccccc1)c1c([O-])cccc1F ZINC000131549856 279680094 /nfs/dbraw/zinc/68/00/94/279680094.db2.gz FDNDCRSDACEMLV-GFCCVEGCSA-N -1 1 275.279 1.995 20 0 CDADMM CCCCOCCCNC(=O)c1ncccc1[O-] ZINC000134196938 279767837 /nfs/dbraw/zinc/76/78/37/279767837.db2.gz QWHWGHAWQNMTBK-UHFFFAOYSA-N -1 1 252.314 1.724 20 0 CDADMM CCCOCc1ccccc1CNC(=O)c1cnn[nH]1 ZINC000194203041 280027851 /nfs/dbraw/zinc/02/78/51/280027851.db2.gz CJRHILMNTGNFPB-UHFFFAOYSA-N -1 1 274.324 1.661 20 0 CDADMM C[C@H](NC(=O)c1cn[nH]c1-c1ccccc1F)C(=O)[O-] ZINC000237579421 280180754 /nfs/dbraw/zinc/18/07/54/280180754.db2.gz IFZNBQFBUFYFLJ-ZETCQYMHSA-N -1 1 277.255 1.419 20 0 CDADMM O=C(NCC12CC(C1)CO2)c1c(F)ccc([O-])c1F ZINC000529872283 281382962 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CC(C)(NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)c1nn[n-]n1 ZINC000560828592 293036221 /nfs/dbraw/zinc/03/62/21/293036221.db2.gz WUEQQDWIRIYWJG-ABAIWWIYSA-N -1 1 285.351 1.745 20 0 CDADMM CC(C)(C)c1nc(CN(CC(=O)[O-])C2CCC2)n[nH]1 ZINC000568296495 294014098 /nfs/dbraw/zinc/01/40/98/294014098.db2.gz LZNQEBZYPVEGHE-UHFFFAOYSA-N -1 1 266.345 1.541 20 0 CDADMM CO[C@H](C)c1nc(=N[C@@H]2CCO[C@@]3(CCOC3)C2)s[n-]1 ZINC000328816744 294342603 /nfs/dbraw/zinc/34/26/03/294342603.db2.gz PVDBHSFVXVENLW-BREBYQMCSA-N -1 1 299.396 1.417 20 0 CDADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC2(CCC2)O1 ZINC000574575666 295021095 /nfs/dbraw/zinc/02/10/95/295021095.db2.gz XFKUMQLJHGUZAO-SNVBAGLBSA-N -1 1 262.309 1.571 20 0 CDADMM CCOCCn1cc(-c2nn[n-]n2)c2ccsc2c1=O ZINC001590817407 1173519301 /nfs/dbraw/zinc/51/93/01/1173519301.db2.gz UKPXCUHDRYPLIR-UHFFFAOYSA-N -1 1 291.336 1.280 20 0 CDADMM CN(C[C@H]1CC=CCC1)c1cc(-c2nnn[n-]2)ncn1 ZINC001591054215 1173568353 /nfs/dbraw/zinc/56/83/53/1173568353.db2.gz AIQHBVSWBTUBJE-JTQLQIEISA-N -1 1 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/nfs/dbraw/zinc/71/33/69/600713369.db2.gz OEKDUYNGTJRJSJ-QWRGUYRKSA-N -1 1 266.345 1.834 20 0 CDADMM CC[C@@H](O)CN1CCN([C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000829004357 601012520 /nfs/dbraw/zinc/01/25/20/601012520.db2.gz GNGURRKUQOTDAF-CABCVRRESA-N -1 1 292.379 1.201 20 0 CDADMM C[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1)N(C)C ZINC000832803100 601136610 /nfs/dbraw/zinc/13/66/10/601136610.db2.gz FODSHSXVJKQPCM-VIFPVBQESA-N -1 1 266.297 1.039 20 0 CDADMM O=C([O-])C[C@H]1CCCCN1CC(=O)Nc1ccc(O)cc1 ZINC000833207787 601305134 /nfs/dbraw/zinc/30/51/34/601305134.db2.gz PKAONFJWUIBKFZ-GFCCVEGCSA-N -1 1 292.335 1.660 20 0 CDADMM COC[C@@H]1CCCN1Cn1nc(C(=O)[O-])c2ccccc21 ZINC000831666716 601373445 /nfs/dbraw/zinc/37/34/45/601373445.db2.gz SWZPVSAQRRVAEZ-NSHDSACASA-N -1 1 289.335 1.803 20 0 CDADMM O=C([O-])Nc1cccc(NC(=O)CCc2nc[nH]n2)c1 ZINC000833288753 601449172 /nfs/dbraw/zinc/44/91/72/601449172.db2.gz MEYIUHVDJZHFSI-UHFFFAOYSA-N -1 1 275.268 1.466 20 0 CDADMM C[C@@](O)(CN1CCO[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC000227564754 601456051 /nfs/dbraw/zinc/45/60/51/601456051.db2.gz NEIHRYWUHRZVKQ-DZGCQCFKSA-N -1 1 279.336 1.070 20 0 CDADMM C[C@@H]1CN(Cc2nc(-c3ccccc3)no2)C[C@H]1C(=O)[O-] ZINC000235407270 601505925 /nfs/dbraw/zinc/50/59/25/601505925.db2.gz JLSDOPNTERNAGB-ZYHUDNBSSA-N -1 1 287.319 1.889 20 0 CDADMM Cc1ccc(NC(=O)CN2C[C@H](C)[C@H](C(=O)[O-])C2)cc1F ZINC000111255068 601514942 /nfs/dbraw/zinc/51/49/42/601514942.db2.gz DIMHQPYWNWELAF-CMPLNLGQSA-N -1 1 294.326 1.725 20 0 CDADMM COC(=O)[C@H](c1ccccc1)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000831085055 601525810 /nfs/dbraw/zinc/52/58/10/601525810.db2.gz WJADZBLJROBQOF-UHTWSYAYSA-N -1 1 277.320 1.553 20 0 CDADMM O=C([O-])c1sccc1CN1CCC[C@H]1C(=O)NC1CC1 ZINC000833349053 601807539 /nfs/dbraw/zinc/80/75/39/601807539.db2.gz YYBYWIOVYKONNZ-NSHDSACASA-N -1 1 294.376 1.689 20 0 CDADMM C[C@@]1(C(=O)[O-])CCN(CN2C(=O)CC3(CCCC3)C2=O)C1 ZINC000828029122 601886441 /nfs/dbraw/zinc/88/64/41/601886441.db2.gz QWWKKYOLQMHVNU-CQSZACIVSA-N -1 1 294.351 1.060 20 0 CDADMM Cc1cc(NC(=O)[C@H](C)N2CC[C@@](C)(C(=O)[O-])C2)on1 ZINC000832892684 601918747 /nfs/dbraw/zinc/91/87/47/601918747.db2.gz DFGTUDLSSFZHRV-TVQRCGJNSA-N -1 1 281.312 1.107 20 0 CDADMM CN(Cc1ccc(C(=O)[O-])s1)C[C@H]1CN(C)CCO1 ZINC000707827776 601952269 /nfs/dbraw/zinc/95/22/69/601952269.db2.gz UIPNEAQAKLGVJN-SNVBAGLBSA-N -1 1 284.381 1.209 20 0 CDADMM CC[C@](C)(CC(=O)[O-])NCc1nc(CC(F)(F)F)no1 ZINC000828671856 602216711 /nfs/dbraw/zinc/21/67/11/602216711.db2.gz HLBFCNJDQVNCJC-SNVBAGLBSA-N -1 1 295.261 1.907 20 0 CDADMM CC(C)C1CN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000824224285 607810909 /nfs/dbraw/zinc/81/09/09/607810909.db2.gz OKUSAHYKLIWECR-UHFFFAOYSA-N -1 1 295.350 1.902 20 0 CDADMM Cc1cc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)nn1C ZINC000688134161 604671877 /nfs/dbraw/zinc/67/18/77/604671877.db2.gz NCJMUYUWCSZHFW-LBPRGKRZSA-N -1 1 263.341 1.415 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CN2CCOC(C)(C)C2)O1 ZINC000833578655 604821577 /nfs/dbraw/zinc/82/15/77/604821577.db2.gz KPJQADQDXCSHJN-SNVBAGLBSA-N -1 1 255.314 1.245 20 0 CDADMM CN(CCc1cn(CC(=O)[O-])nn1)Cc1ccccc1F ZINC000830800488 604824608 /nfs/dbraw/zinc/82/46/08/604824608.db2.gz CADHKXKPUXCOPG-UHFFFAOYSA-N -1 1 292.314 1.176 20 0 CDADMM COC[C@](C)(CC(=O)[O-])NCc1c(C)nn(C)c1Cl ZINC000833721986 604954299 /nfs/dbraw/zinc/95/42/99/604954299.db2.gz ITENVMWNGWMNNT-LBPRGKRZSA-N -1 1 289.763 1.351 20 0 CDADMM CC(C)[C@H](C)NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833469312 605043743 /nfs/dbraw/zinc/04/37/43/605043743.db2.gz UWBJDLBLFZHHFR-RYUDHWBXSA-N -1 1 285.388 1.221 20 0 CDADMM CC(C)(C)[C@H]([NH2+]CCC[N-]C(=O)C(F)(F)F)C(=O)[O-] ZINC000833427754 605047364 /nfs/dbraw/zinc/04/73/64/605047364.db2.gz WGTCWWYBNWBMMW-SSDOTTSWSA-N -1 1 284.278 1.144 20 0 CDADMM CCc1nc([C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[O-])n[nH]1 ZINC000833674034 605072206 /nfs/dbraw/zinc/07/22/06/605072206.db2.gz NWTXLNNGIUWSOM-IUCAKERBSA-N -1 1 297.359 1.227 20 0 CDADMM COc1cccc2c1CC[C@@H]2NC1CN(C(=O)[O-])C1 ZINC000829582115 605100046 /nfs/dbraw/zinc/10/00/46/605100046.db2.gz XSPGNADVIAEKPW-LBPRGKRZSA-N -1 1 262.309 1.634 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CC12CCC2 ZINC000833619466 605101582 /nfs/dbraw/zinc/10/15/82/605101582.db2.gz HUNDDFOHEXFJOQ-NWDGAFQWSA-N -1 1 280.368 1.184 20 0 CDADMM CCN1C[C@H](C)N(C(=O)NCC(C)(C)C(=O)[O-])C[C@H]1C ZINC000833658754 605123916 /nfs/dbraw/zinc/12/39/16/605123916.db2.gz VARYLVBMFHEKTR-MNOVXSKESA-N -1 1 285.388 1.221 20 0 CDADMM CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825191381 608246119 /nfs/dbraw/zinc/24/61/19/608246119.db2.gz BAECGMFXVMDCHQ-KOLCDFICSA-N -1 1 286.339 1.665 20 0 CDADMM CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825191381 608246121 /nfs/dbraw/zinc/24/61/21/608246121.db2.gz BAECGMFXVMDCHQ-KOLCDFICSA-N -1 1 286.339 1.665 20 0 CDADMM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2F)C[C@H]1O ZINC000388006038 605842989 /nfs/dbraw/zinc/84/29/89/605842989.db2.gz GYHBSAYVQNZEGF-PRHODGIISA-N -1 1 253.273 1.337 20 0 CDADMM COC1CCC(CNc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000821679518 606103238 /nfs/dbraw/zinc/10/32/38/606103238.db2.gz AQPDMAYRNNDVOP-UHFFFAOYSA-N -1 1 288.355 1.879 20 0 CDADMM COC1CCC(CNc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000821679518 606103237 /nfs/dbraw/zinc/10/32/37/606103237.db2.gz AQPDMAYRNNDVOP-UHFFFAOYSA-N -1 1 288.355 1.879 20 0 CDADMM CCCCN(CC)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821060632 606165304 /nfs/dbraw/zinc/16/53/04/606165304.db2.gz FSFUJJJKNXOMGK-UHFFFAOYSA-N -1 1 292.347 1.254 20 0 CDADMM CCCCN(CC)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821060632 606165305 /nfs/dbraw/zinc/16/53/05/606165305.db2.gz FSFUJJJKNXOMGK-UHFFFAOYSA-N -1 1 292.347 1.254 20 0 CDADMM O=C(OCCCF)c1ccc(-c2nnn[n-]2)s1 ZINC000823401597 606180989 /nfs/dbraw/zinc/18/09/89/606180989.db2.gz YFGUUSGEHMOUJQ-UHFFFAOYSA-N -1 1 256.262 1.445 20 0 CDADMM O=C(OCCCF)c1ccc(-c2nn[n-]n2)s1 ZINC000823401597 606180990 /nfs/dbraw/zinc/18/09/90/606180990.db2.gz YFGUUSGEHMOUJQ-UHFFFAOYSA-N -1 1 256.262 1.445 20 0 CDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CCOC1 ZINC000820512638 606181710 /nfs/dbraw/zinc/18/17/10/606181710.db2.gz MGUBYZFFKKLNHZ-SFYZADRCSA-N -1 1 294.336 1.510 20 0 CDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CCOC1 ZINC000820512638 606181711 /nfs/dbraw/zinc/18/17/11/606181711.db2.gz MGUBYZFFKKLNHZ-SFYZADRCSA-N -1 1 294.336 1.510 20 0 CDADMM C[C@]1(CNc2nccnc2-c2nnn[n-]2)CCCC[C@H]1O ZINC000820623083 606243309 /nfs/dbraw/zinc/24/33/09/606243309.db2.gz DPIXKOXERWFZKR-NOZJJQNGSA-N -1 1 289.343 1.010 20 0 CDADMM C[C@]1(CNc2nccnc2-c2nn[n-]n2)CCCC[C@H]1O ZINC000820623083 606243310 /nfs/dbraw/zinc/24/33/10/606243310.db2.gz DPIXKOXERWFZKR-NOZJJQNGSA-N -1 1 289.343 1.010 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)[C@H]1C ZINC000820717520 606446794 /nfs/dbraw/zinc/44/67/94/606446794.db2.gz RHHWYMQHMKLQHA-YUMQZZPRSA-N -1 1 277.353 1.799 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)[C@H]1C ZINC000820717520 606446796 /nfs/dbraw/zinc/44/67/96/606446796.db2.gz RHHWYMQHMKLQHA-YUMQZZPRSA-N -1 1 277.353 1.799 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000823435812 606517781 /nfs/dbraw/zinc/51/77/81/606517781.db2.gz ALOQMQYZTNDHPJ-UHFFFAOYSA-N -1 1 287.323 1.885 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000823435812 606517782 /nfs/dbraw/zinc/51/77/82/606517782.db2.gz ALOQMQYZTNDHPJ-UHFFFAOYSA-N -1 1 287.323 1.885 20 0 CDADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)C(C)C ZINC000821160953 606527741 /nfs/dbraw/zinc/52/77/41/606527741.db2.gz RYPVNBJNSOYGQN-UHFFFAOYSA-N -1 1 265.342 1.799 20 0 CDADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)C(C)C ZINC000821160953 606527743 /nfs/dbraw/zinc/52/77/43/606527743.db2.gz RYPVNBJNSOYGQN-UHFFFAOYSA-N -1 1 265.342 1.799 20 0 CDADMM C[C@H]1CC[C@H](CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000820684521 607092941 /nfs/dbraw/zinc/09/29/41/607092941.db2.gz QVXKWIJNROLQFV-IUCAKERBSA-N -1 1 289.343 1.365 20 0 CDADMM C[C@H]1CC[C@H](CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000820684521 607092942 /nfs/dbraw/zinc/09/29/42/607092942.db2.gz QVXKWIJNROLQFV-IUCAKERBSA-N -1 1 289.343 1.365 20 0 CDADMM Cc1cccc([C@H](O)CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000822288933 607127820 /nfs/dbraw/zinc/12/78/20/607127820.db2.gz NONIRUYIZWVXOX-CYBMUJFWSA-N -1 1 296.334 1.716 20 0 CDADMM Cc1cccc([C@H](O)CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000822288933 607127822 /nfs/dbraw/zinc/12/78/22/607127822.db2.gz NONIRUYIZWVXOX-CYBMUJFWSA-N -1 1 296.334 1.716 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@H]2CC3CCC2CC3)n1 ZINC000823809550 607131975 /nfs/dbraw/zinc/13/19/75/607131975.db2.gz NLTKWWXTTDQCSL-RTBKNWGFSA-N -1 1 271.328 1.647 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@H]2CC3CCC2CC3)n1 ZINC000823809550 607131977 /nfs/dbraw/zinc/13/19/77/607131977.db2.gz NLTKWWXTTDQCSL-RTBKNWGFSA-N -1 1 271.328 1.647 20 0 CDADMM CCOC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821313133 607158100 /nfs/dbraw/zinc/15/81/00/607158100.db2.gz ATKYYAGPWFOIIN-ZCFIWIBFSA-N -1 1 296.308 1.037 20 0 CDADMM CCOC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821313133 607158101 /nfs/dbraw/zinc/15/81/01/607158101.db2.gz ATKYYAGPWFOIIN-ZCFIWIBFSA-N -1 1 296.308 1.037 20 0 CDADMM CC(C)(C)[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819907959 607159148 /nfs/dbraw/zinc/15/91/48/607159148.db2.gz UWGHWSSGRNVMPL-VIFPVBQESA-N -1 1 295.368 1.065 20 0 CDADMM CC(C)(C)[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819907959 607159150 /nfs/dbraw/zinc/15/91/50/607159150.db2.gz UWGHWSSGRNVMPL-VIFPVBQESA-N -1 1 295.368 1.065 20 0 CDADMM CC(C)C1CN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000824224285 607810908 /nfs/dbraw/zinc/81/09/08/607810908.db2.gz OKUSAHYKLIWECR-UHFFFAOYSA-N -1 1 295.350 1.902 20 0 CDADMM CC[C@H](C)NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000825067258 607863285 /nfs/dbraw/zinc/86/32/85/607863285.db2.gz IYCGMVHVHHSPIS-QMMMGPOBSA-N -1 1 293.302 1.299 20 0 CDADMM CC[C@H](C)NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000825067258 607863286 /nfs/dbraw/zinc/86/32/86/607863286.db2.gz IYCGMVHVHHSPIS-QMMMGPOBSA-N -1 1 293.302 1.299 20 0 CDADMM CCc1noc(COc2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825777268 607864581 /nfs/dbraw/zinc/86/45/81/607864581.db2.gz RNVLGXSLFZRYJQ-UHFFFAOYSA-N -1 1 290.258 1.530 20 0 CDADMM CCc1noc(COc2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825777268 607864582 /nfs/dbraw/zinc/86/45/82/607864582.db2.gz RNVLGXSLFZRYJQ-UHFFFAOYSA-N -1 1 290.258 1.530 20 0 CDADMM CN(c1cccc(-c2nnn[n-]2)n1)C1Cc2ccccc2C1 ZINC000826010673 607897462 /nfs/dbraw/zinc/89/74/62/607897462.db2.gz NSHSYLWUTUMFDY-UHFFFAOYSA-N -1 1 292.346 1.865 20 0 CDADMM CN(c1cccc(-c2nn[n-]n2)n1)C1Cc2ccccc2C1 ZINC000826010673 607897463 /nfs/dbraw/zinc/89/74/63/607897463.db2.gz NSHSYLWUTUMFDY-UHFFFAOYSA-N -1 1 292.346 1.865 20 0 CDADMM OC1(CNc2cccc(-c3nnn[n-]3)n2)CCCCC1 ZINC000826505979 607898254 /nfs/dbraw/zinc/89/82/54/607898254.db2.gz JWQCJZVQZUJTEY-UHFFFAOYSA-N -1 1 274.328 1.369 20 0 CDADMM OC1(CNc2cccc(-c3nn[n-]n3)n2)CCCCC1 ZINC000826505979 607898255 /nfs/dbraw/zinc/89/82/55/607898255.db2.gz JWQCJZVQZUJTEY-UHFFFAOYSA-N -1 1 274.328 1.369 20 0 CDADMM CSC[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000826228270 607902535 /nfs/dbraw/zinc/90/25/35/607902535.db2.gz KAXATIZDBGIBQJ-VIFPVBQESA-N -1 1 276.369 1.594 20 0 CDADMM CSC[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000826228270 607902536 /nfs/dbraw/zinc/90/25/36/607902536.db2.gz KAXATIZDBGIBQJ-VIFPVBQESA-N -1 1 276.369 1.594 20 0 CDADMM CC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC000825146675 607904392 /nfs/dbraw/zinc/90/43/92/607904392.db2.gz FEAZXLLIMKDHPW-MWLCHTKSSA-N -1 1 274.328 1.631 20 0 CDADMM CC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC000825146675 607904393 /nfs/dbraw/zinc/90/43/93/607904393.db2.gz FEAZXLLIMKDHPW-MWLCHTKSSA-N -1 1 274.328 1.631 20 0 CDADMM CN(c1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H]1CCSC1 ZINC000826004269 607905248 /nfs/dbraw/zinc/90/52/48/607905248.db2.gz QEQOJFLAQUCWDL-ZETCQYMHSA-N -1 1 296.787 1.857 20 0 CDADMM CN(c1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H]1CCSC1 ZINC000826004269 607905249 /nfs/dbraw/zinc/90/52/49/607905249.db2.gz QEQOJFLAQUCWDL-ZETCQYMHSA-N -1 1 296.787 1.857 20 0 CDADMM Cn1ncc(Nc2cccc(-c3nnn[n-]3)n2)c1C(F)F ZINC000826366376 607967466 /nfs/dbraw/zinc/96/74/66/607967466.db2.gz FVEVMTFYOPKOMT-UHFFFAOYSA-N -1 1 292.253 1.676 20 0 CDADMM Cn1ncc(Nc2cccc(-c3nn[n-]n3)n2)c1C(F)F ZINC000826366376 607967467 /nfs/dbraw/zinc/96/74/67/607967467.db2.gz FVEVMTFYOPKOMT-UHFFFAOYSA-N -1 1 292.253 1.676 20 0 CDADMM COCc1ccccc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826165129 607989128 /nfs/dbraw/zinc/98/91/28/607989128.db2.gz HATCKQFGLBRYJY-UHFFFAOYSA-N -1 1 297.322 1.415 20 0 CDADMM COCc1ccccc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826165129 607989129 /nfs/dbraw/zinc/98/91/29/607989129.db2.gz HATCKQFGLBRYJY-UHFFFAOYSA-N -1 1 297.322 1.415 20 0 CDADMM Clc1cncc(Oc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826354305 607990688 /nfs/dbraw/zinc/99/06/88/607990688.db2.gz XJUYSDUTSGZEEI-UHFFFAOYSA-N -1 1 275.659 1.497 20 0 CDADMM Clc1cncc(Oc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826354305 607990689 /nfs/dbraw/zinc/99/06/89/607990689.db2.gz XJUYSDUTSGZEEI-UHFFFAOYSA-N -1 1 275.659 1.497 20 0 CDADMM Cc1ccc(C)c(NC(=O)Cn2ccnc2-c2nnn[n-]2)c1 ZINC000826285036 608013380 /nfs/dbraw/zinc/01/33/80/608013380.db2.gz OAZXGJDVHIIXPB-UHFFFAOYSA-N -1 1 297.322 1.319 20 0 CDADMM Cc1ccc(C)c(NC(=O)Cn2ccnc2-c2nn[n-]n2)c1 ZINC000826285036 608013381 /nfs/dbraw/zinc/01/33/81/608013381.db2.gz OAZXGJDVHIIXPB-UHFFFAOYSA-N -1 1 297.322 1.319 20 0 CDADMM Fc1cccc(Cn2ccnc2-c2nnn[n-]2)c1F ZINC000826377394 608013578 /nfs/dbraw/zinc/01/35/78/608013578.db2.gz PRZZXOOGSYDAKM-UHFFFAOYSA-N -1 1 262.223 1.390 20 0 CDADMM Fc1cccc(Cn2ccnc2-c2nn[n-]n2)c1F ZINC000826377394 608013579 /nfs/dbraw/zinc/01/35/79/608013579.db2.gz PRZZXOOGSYDAKM-UHFFFAOYSA-N -1 1 262.223 1.390 20 0 CDADMM CCC(CC)[C@@H](C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825095185 608066616 /nfs/dbraw/zinc/06/66/16/608066616.db2.gz FQXZYXHDCPYXRO-MRVPVSSYSA-N -1 1 291.359 1.611 20 0 CDADMM CCC(CC)[C@@H](C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825095185 608066617 /nfs/dbraw/zinc/06/66/17/608066617.db2.gz FQXZYXHDCPYXRO-MRVPVSSYSA-N -1 1 291.359 1.611 20 0 CDADMM C[C@@H]1CC[C@H](COC(=O)c2ccc(-c3nnn[n-]3)s2)O1 ZINC000824909833 608076157 /nfs/dbraw/zinc/07/61/57/608076157.db2.gz VHIGVOGNQHQGLT-HTQZYQBOSA-N -1 1 294.336 1.653 20 0 CDADMM C[C@@H]1CC[C@H](COC(=O)c2ccc(-c3nn[n-]n3)s2)O1 ZINC000824909833 608076158 /nfs/dbraw/zinc/07/61/58/608076158.db2.gz VHIGVOGNQHQGLT-HTQZYQBOSA-N -1 1 294.336 1.653 20 0 CDADMM CC(C)[C@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000824217057 608242670 /nfs/dbraw/zinc/24/26/70/608242670.db2.gz XQWKHMURZDFVKU-CMPLNLGQSA-N -1 1 288.355 1.877 20 0 CDADMM CC(C)[C@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000824217057 608242671 /nfs/dbraw/zinc/24/26/71/608242671.db2.gz XQWKHMURZDFVKU-CMPLNLGQSA-N -1 1 288.355 1.877 20 0 CDADMM Clc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)s1 ZINC000826352120 608395545 /nfs/dbraw/zinc/39/55/45/608395545.db2.gz OJOGXEDWHYXZDQ-UHFFFAOYSA-N -1 1 293.743 1.984 20 0 CDADMM Clc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)s1 ZINC000826352120 608395548 /nfs/dbraw/zinc/39/55/48/608395548.db2.gz OJOGXEDWHYXZDQ-UHFFFAOYSA-N -1 1 293.743 1.984 20 0 CDADMM C[C@H]1C[C@@H]1c1ccc(CNc2ccc(-c3nnn[n-]3)nn2)o1 ZINC000824899296 608401596 /nfs/dbraw/zinc/40/15/96/608401596.db2.gz IWEQNFRHKQZMJW-WPRPVWTQSA-N -1 1 297.322 1.985 20 0 CDADMM C[C@H]1C[C@@H]1c1ccc(CNc2ccc(-c3nn[n-]n3)nn2)o1 ZINC000824899296 608401598 /nfs/dbraw/zinc/40/15/98/608401598.db2.gz IWEQNFRHKQZMJW-WPRPVWTQSA-N -1 1 297.322 1.985 20 0 CDADMM CC1(C)CCC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824801076 608428152 /nfs/dbraw/zinc/42/81/52/608428152.db2.gz ABFLDJAMTPJQAM-VIFPVBQESA-N -1 1 259.317 1.647 20 0 CDADMM CC1(C)CCC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824801076 608428154 /nfs/dbraw/zinc/42/81/54/608428154.db2.gz ABFLDJAMTPJQAM-VIFPVBQESA-N -1 1 259.317 1.647 20 0 CDADMM C[C@@H]1c2ccccc2CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000825029267 608429280 /nfs/dbraw/zinc/42/92/80/608429280.db2.gz PYLYLPGEYACCAZ-SNVBAGLBSA-N -1 1 293.334 1.780 20 0 CDADMM C[C@@H]1c2ccccc2CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000825029267 608429281 /nfs/dbraw/zinc/42/92/81/608429281.db2.gz PYLYLPGEYACCAZ-SNVBAGLBSA-N -1 1 293.334 1.780 20 0 CDADMM CC[C@@H]1CCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825194221 608431686 /nfs/dbraw/zinc/43/16/86/608431686.db2.gz PNKHSSLNYHMIDZ-RKDXNWHRSA-N -1 1 259.317 1.647 20 0 CDADMM CC[C@@H]1CCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825194221 608431687 /nfs/dbraw/zinc/43/16/87/608431687.db2.gz PNKHSSLNYHMIDZ-RKDXNWHRSA-N -1 1 259.317 1.647 20 0 CDADMM c1cnc2cc(Oc3ccc(-c4nnn[n-]4)nn3)ccc2n1 ZINC000826525290 608439449 /nfs/dbraw/zinc/43/94/49/608439449.db2.gz DLZKTRWTAFOLLV-UHFFFAOYSA-N -1 1 292.262 1.392 20 0 CDADMM c1cnc2cc(Oc3ccc(-c4nn[n-]n4)nn3)ccc2n1 ZINC000826525290 608439450 /nfs/dbraw/zinc/43/94/50/608439450.db2.gz DLZKTRWTAFOLLV-UHFFFAOYSA-N -1 1 292.262 1.392 20 0 CDADMM COc1ccc(CCn2cccc(-c3nn[n-]n3)c2=O)cc1 ZINC000826192123 608474906 /nfs/dbraw/zinc/47/49/06/608474906.db2.gz AFQYCPSTDMBFIC-UHFFFAOYSA-N -1 1 297.318 1.280 20 0 CDADMM CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826090679 609278556 /nfs/dbraw/zinc/27/85/56/609278556.db2.gz LCAAIHOUQNIQSH-UHFFFAOYSA-N -1 1 259.248 1.233 20 0 CDADMM COCc1nc(NC[C@@H]2CCCCO2)cc(=O)[n-]1 ZINC000892002271 617401189 /nfs/dbraw/zinc/40/11/89/617401189.db2.gz OVRPDPRWBVZASB-VIFPVBQESA-N -1 1 253.302 1.310 20 0 CDADMM O=S(=O)([N-][C@@H]1CCSC1)c1ccc(F)nc1F ZINC000866885425 617406301 /nfs/dbraw/zinc/40/63/01/617406301.db2.gz HQSJKJRKRWHIBA-ZCFIWIBFSA-N -1 1 280.321 1.144 20 0 CDADMM COCc1nc(N[C@H]2CCO[C@@H](C3CC3)C2)cc(=O)[n-]1 ZINC000893194301 617456099 /nfs/dbraw/zinc/45/60/99/617456099.db2.gz FRDSPVFGCFBESV-WDEREUQCSA-N -1 1 279.340 1.698 20 0 CDADMM COCc1nc(N[C@@H](CCO)c2cccs2)cc(=O)[n-]1 ZINC000892652696 617562890 /nfs/dbraw/zinc/56/28/90/617562890.db2.gz BFINNPPHLLIIPU-VIFPVBQESA-N -1 1 295.364 1.926 20 0 CDADMM CC[C@H](F)CN1CC([C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000969500413 615777174 /nfs/dbraw/zinc/77/71/74/615777174.db2.gz OCARIFNZUXNMIE-KCJUWKMLSA-N -1 1 298.362 1.222 20 0 CDADMM CC1CCN(CC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])CC1 ZINC000909667674 620715907 /nfs/dbraw/zinc/71/59/07/620715907.db2.gz WSBYPQJRQVPEKU-VIFPVBQESA-N -1 1 296.289 1.240 20 0 CDADMM CCC(=O)c1ccc(C(=O)N(C)c2nn[n-]n2)cc1 ZINC000892954812 617978090 /nfs/dbraw/zinc/97/80/90/617978090.db2.gz RIUPKRRNUQZRHV-UHFFFAOYSA-N -1 1 259.269 1.069 20 0 CDADMM C[C@@H]1CCc2n[nH]c(C(=O)NC3(C(=O)[O-])CCC3)c2C1 ZINC000909335912 617742740 /nfs/dbraw/zinc/74/27/40/617742740.db2.gz SLRFBDSDMGYYSG-MRVPVSSYSA-N -1 1 277.324 1.272 20 0 CDADMM CC(C)OC(=O)c1cc(NC(=O)[C@@]2(C)CCCOC2)n[nH]1 ZINC000888119042 620750950 /nfs/dbraw/zinc/75/09/50/620750950.db2.gz QWZTXEGBEYSTGO-AWEZNQCLSA-N -1 1 295.339 1.730 20 0 CDADMM CCCOc1cc(OC)ccc1C(=O)N(C)c1nn[n-]n1 ZINC000892954063 617974778 /nfs/dbraw/zinc/97/47/78/617974778.db2.gz BKNVXKFAJUCCGQ-UHFFFAOYSA-N -1 1 291.311 1.274 20 0 CDADMM C[C@H](CSc1ccc(F)cc1)C(=O)N(C)c1nn[n-]n1 ZINC000892954596 617975327 /nfs/dbraw/zinc/97/53/27/617975327.db2.gz MVJHRDRSWVEJEQ-MRVPVSSYSA-N -1 1 295.343 1.730 20 0 CDADMM COCc1nc(NC[C@@H]2CCOC[C@@H]2C)cc(=O)[n-]1 ZINC000893836895 618069051 /nfs/dbraw/zinc/06/90/51/618069051.db2.gz WCSPOBBKOIKWRP-UWVGGRQHSA-N -1 1 267.329 1.413 20 0 CDADMM CCn1cccc(CNc2cc(=O)[n-]c(COC)n2)c1=O ZINC000893561855 618124400 /nfs/dbraw/zinc/12/44/00/618124400.db2.gz NMVJMSFEBXKINT-UHFFFAOYSA-N -1 1 290.323 1.122 20 0 CDADMM CCN(C)C(=O)[C@@H](Nc1cc(=O)[n-]c(COC)n1)C(C)C ZINC000894039715 618278123 /nfs/dbraw/zinc/27/81/23/618278123.db2.gz VUFHIBBBQYZPQW-ZDUSSCGKSA-N -1 1 296.371 1.243 20 0 CDADMM C[C@@H]1CC[C@@H](NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000910558973 618300898 /nfs/dbraw/zinc/30/08/98/618300898.db2.gz GQPUEAOGFDFTOA-IJLUTSLNSA-N -1 1 268.357 1.088 20 0 CDADMM O=C([N-]Cc1ccc(OCC(F)(F)F)nc1)C(F)F ZINC000786980001 618369702 /nfs/dbraw/zinc/36/97/02/618369702.db2.gz NCVKHZCELCYKAS-UHFFFAOYSA-N -1 1 284.184 1.904 20 0 CDADMM O=C([O-])C[C@@H]1CSCCN1Cc1ccc2c(n1)CCC2 ZINC000901983867 618417370 /nfs/dbraw/zinc/41/73/70/618417370.db2.gz IXTIOYLQRYZMFP-CYBMUJFWSA-N -1 1 292.404 1.962 20 0 CDADMM CCN(C(=O)c1cccc2[nH]c(C)nc21)[C@@H](C)C(=O)[O-] ZINC000902045169 618513403 /nfs/dbraw/zinc/51/34/03/618513403.db2.gz CCPXHWAHNCIZHI-QMMMGPOBSA-N -1 1 275.308 1.807 20 0 CDADMM CC(C)(CNC(=O)Cc1n[nH]c2c1CCCC2)CC(=O)[O-] ZINC000910828650 618540056 /nfs/dbraw/zinc/54/00/56/618540056.db2.gz CRFPFQCVTOSZGL-UHFFFAOYSA-N -1 1 293.367 1.448 20 0 CDADMM OCCN(Cc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826509675 618593393 /nfs/dbraw/zinc/59/33/93/618593393.db2.gz DPCGIICFSIDXGG-UHFFFAOYSA-N -1 1 296.334 1.261 20 0 CDADMM OCCN(Cc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826509675 618593399 /nfs/dbraw/zinc/59/33/99/618593399.db2.gz DPCGIICFSIDXGG-UHFFFAOYSA-N -1 1 296.334 1.261 20 0 CDADMM CC1CCN(CC(=O)N[C@@](C)(C(=O)[O-])C2CC2)CC1 ZINC000828284076 618617053 /nfs/dbraw/zinc/61/70/53/618617053.db2.gz BVCBDKLIUOQHCY-CQSZACIVSA-N -1 1 268.357 1.088 20 0 CDADMM COCc1nc(N2CCC[C@](C)(C(=O)OC)C2)cc(=O)[n-]1 ZINC000894221273 618733000 /nfs/dbraw/zinc/73/30/00/618733000.db2.gz PYXIHGSSTGKWKT-AWEZNQCLSA-N -1 1 295.339 1.108 20 0 CDADMM CCC1(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2)CCC1 ZINC000909409076 619095694 /nfs/dbraw/zinc/09/56/94/619095694.db2.gz PPVOPDGNHWXCJI-GFCCVEGCSA-N -1 1 282.384 1.480 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H](F)C(C)C)n1 ZINC000841222505 619096623 /nfs/dbraw/zinc/09/66/23/619096623.db2.gz YIJWLFMPYULBQI-MRVPVSSYSA-N -1 1 257.265 1.519 20 0 CDADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)NC[C@@H](C)CC(=O)[O-] ZINC000909485067 619386850 /nfs/dbraw/zinc/38/68/50/619386850.db2.gz KULYPPDZWYUHHW-YFKPBYRVSA-N -1 1 293.245 1.578 20 0 CDADMM C[C@@H](CNC(=O)c1ccc2cncn2c1)CC(=O)[O-] ZINC000909487116 619389105 /nfs/dbraw/zinc/38/91/05/619389105.db2.gz VKIUBVVDMHLDDH-SECBINFHSA-N -1 1 261.281 1.175 20 0 CDADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)NCC1(C(=O)[O-])CC1 ZINC000909644537 620538192 /nfs/dbraw/zinc/53/81/92/620538192.db2.gz BRVOYRRQEYFQJV-UHFFFAOYSA-N -1 1 291.229 1.332 20 0 CDADMM C[C@]1(C(=O)[O-])CCCN1C(=O)c1n[nH]cc1C(F)(F)F ZINC000909653301 620570160 /nfs/dbraw/zinc/57/01/60/620570160.db2.gz 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/nfs/dbraw/zinc/24/88/34/630248834.db2.gz WDYUTYMYPXKXKT-ZETCQYMHSA-N -1 1 267.314 1.017 20 0 CDADMM CSCC[C@H](NC(=O)C(C)(C)C(C)C)c1nn[n-]n1 ZINC000912862046 630250655 /nfs/dbraw/zinc/25/06/55/630250655.db2.gz IGOGZHFMIGMZNV-VIFPVBQESA-N -1 1 285.417 1.792 20 0 CDADMM NC(=O)[C@@H](F)C1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000913108491 630370427 /nfs/dbraw/zinc/37/04/27/630370427.db2.gz ODJGNAFPJPXNFF-LBPRGKRZSA-N -1 1 298.289 1.207 20 0 CDADMM CC(C)=C(C)C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000913438906 630480698 /nfs/dbraw/zinc/48/06/98/630480698.db2.gz YXNQCLKLFYLDSL-GFCCVEGCSA-N -1 1 271.324 1.762 20 0 CDADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)C1=CCCC1 ZINC000913437627 630480760 /nfs/dbraw/zinc/48/07/60/630480760.db2.gz HRLNQZZIUFOFAS-GFCCVEGCSA-N -1 1 269.308 1.516 20 0 CDADMM CCC[C@@H](C(=O)N1CCOC[C@@H]1c1nn[n-]n1)C(C)C ZINC000913494819 630500873 /nfs/dbraw/zinc/50/08/73/630500873.db2.gz DDSATYWHFCDOBO-GHMZBOCLSA-N -1 1 281.360 1.172 20 0 CDADMM O=C(c1ccsc1Cl)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913499914 630513962 /nfs/dbraw/zinc/51/39/62/630513962.db2.gz SEJNRKCTSVPCOF-SSDOTTSWSA-N -1 1 299.743 1.128 20 0 CDADMM CC(C)CO[N-]C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000156469909 630558110 /nfs/dbraw/zinc/55/81/10/630558110.db2.gz CCDIGLPYFLXYHL-LBPRGKRZSA-N -1 1 291.351 1.134 20 0 CDADMM Cc1cc(C(=O)N2CCC(c3nn[n-]n3)CC2)ccc1O ZINC000913744300 630742711 /nfs/dbraw/zinc/74/27/11/630742711.db2.gz IVHGVVVVHABVBY-UHFFFAOYSA-N -1 1 287.323 1.234 20 0 CDADMM O=C([C@@H]1C[C@H]1c1cccnc1)N1CCC(c2nn[n-]n2)CC1 ZINC000913745663 630743475 /nfs/dbraw/zinc/74/34/75/630743475.db2.gz AGMZEVMLECCKOR-QWHCGFSZSA-N -1 1 298.350 1.104 20 0 CDADMM C[C@H](NC(=O)c1ncccc1[O-])[C@H](O)c1ccc(F)cc1 ZINC000152739431 631347736 /nfs/dbraw/zinc/34/77/36/631347736.db2.gz DWRGWEKNUPTLGM-XPTSAGLGSA-N -1 1 290.294 1.778 20 0 CDADMM COc1ccccc1CNC(=O)CN[C@H](C(=O)[O-])C(C)C ZINC000035391854 632085666 /nfs/dbraw/zinc/08/56/66/632085666.db2.gz LNKXLORMOQEBPU-AWEZNQCLSA-N -1 1 294.351 1.010 20 0 CDADMM Cc1ccc(S(=O)(=O)Nc2cncc(C(=O)[O-])c2)s1 ZINC000033811069 632651048 /nfs/dbraw/zinc/65/10/48/632651048.db2.gz UHCMDDGMSWEMKQ-UHFFFAOYSA-N -1 1 298.345 1.951 20 0 CDADMM C[C@@H]1COC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000921493298 632995883 /nfs/dbraw/zinc/99/58/83/632995883.db2.gz KXOQXMKYLSECKL-XCBNKYQSSA-N -1 1 277.292 1.278 20 0 CDADMM Cc1cc2ncc(C(=O)Nc3c[n-][nH]c3=O)c(C)n2n1 ZINC001648814672 1158574882 /nfs/dbraw/zinc/57/48/82/1158574882.db2.gz XBTVTEVYBZFFNL-UHFFFAOYSA-N -1 1 272.268 1.027 20 0 CDADMM CCOc1ncc(F)c(Nc2[n-]c(=O)nc3nc[nH]c32)n1 ZINC001170223329 1162314873 /nfs/dbraw/zinc/31/48/73/1162314873.db2.gz MGRUYBZZGBDDLK-UHFFFAOYSA-N -1 1 291.246 1.130 20 0 CDADMM CN(C(=O)Cc1c[nH]c2cccc(Cl)c12)c1nn[n-]n1 ZINC001130971879 1162760611 /nfs/dbraw/zinc/76/06/11/1162760611.db2.gz IAQPZCVBMHCWGL-UHFFFAOYSA-N -1 1 290.714 1.540 20 0 CDADMM CN(C(=O)c1ccnc(Oc2ccccc2)c1)c1nn[n-]n1 ZINC001131170024 1162819462 /nfs/dbraw/zinc/81/94/62/1162819462.db2.gz RDDIZHMTOLBWCI-UHFFFAOYSA-N -1 1 296.290 1.664 20 0 CDADMM Fc1ccc(Oc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC000095146713 1158537151 /nfs/dbraw/zinc/53/71/51/1158537151.db2.gz MROXHKUDPNHKAO-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM Fc1ccc(Oc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC000095146713 1158537154 /nfs/dbraw/zinc/53/71/54/1158537154.db2.gz MROXHKUDPNHKAO-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1ccn(-c2ccc(F)cc2)n1 ZINC001648814787 1158574830 /nfs/dbraw/zinc/57/48/30/1158574830.db2.gz YXOFFLVLJXXIBJ-UHFFFAOYSA-N -1 1 287.254 1.692 20 0 CDADMM Cc1cc(C(=O)Nc2c[n-][nH]c2=O)ccc1-n1cccn1 ZINC001648815943 1158575435 /nfs/dbraw/zinc/57/54/35/1158575435.db2.gz GHDKLRNGTZAPJC-UHFFFAOYSA-N -1 1 283.291 1.862 20 0 CDADMM CCCC(CCC)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001604145656 1163104538 /nfs/dbraw/zinc/10/45/38/1163104538.db2.gz XBTPWJCEERGSSF-UHFFFAOYSA-N -1 1 291.359 1.755 20 0 CDADMM CCCC(CCC)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001604145656 1163104541 /nfs/dbraw/zinc/10/45/41/1163104541.db2.gz XBTPWJCEERGSSF-UHFFFAOYSA-N -1 1 291.359 1.755 20 0 CDADMM C[C@@H](C[N@@H+]1CC[C@@H](C(=O)[O-])C1)C(=O)c1ccc([O-])cc1 ZINC001604165605 1163114206 /nfs/dbraw/zinc/11/42/06/1163114206.db2.gz SOHMVGWYALZHJG-CMPLNLGQSA-N -1 1 277.320 1.618 20 0 CDADMM C[C@@H](C[N@H+]1CC[C@@H](C(=O)[O-])C1)C(=O)c1ccc([O-])cc1 ZINC001604165605 1163114211 /nfs/dbraw/zinc/11/42/11/1163114211.db2.gz SOHMVGWYALZHJG-CMPLNLGQSA-N -1 1 277.320 1.618 20 0 CDADMM C[C@H](CN(Cc1cnn(C)c1Cl)C1CC1)C(=O)[O-] ZINC001604166069 1163114264 /nfs/dbraw/zinc/11/42/64/1163114264.db2.gz RSXRRQMSOQWENR-MRVPVSSYSA-N -1 1 271.748 1.759 20 0 CDADMM C[C@H](CN(C)[C@H](C(=O)OC(C)(C)C)C1CC1)C(=O)[O-] ZINC001604158167 1163110878 /nfs/dbraw/zinc/11/08/78/1163110878.db2.gz HRFJZMZZIFBYGC-KOLCDFICSA-N -1 1 271.357 1.759 20 0 CDADMM CCCN(CC)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001604204564 1163124901 /nfs/dbraw/zinc/12/49/01/1163124901.db2.gz PFZNOSOKCZRCMT-UHFFFAOYSA-N -1 1 273.344 1.770 20 0 CDADMM CCCN(CC)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001604204564 1163124905 /nfs/dbraw/zinc/12/49/05/1163124905.db2.gz PFZNOSOKCZRCMT-UHFFFAOYSA-N -1 1 273.344 1.770 20 0 CDADMM CCn1ncnc1CSc1cccnc1-c1nnn[n-]1 ZINC001604623883 1163254495 /nfs/dbraw/zinc/25/44/95/1163254495.db2.gz NDJHSZKXWOAKDB-UHFFFAOYSA-N -1 1 288.340 1.165 20 0 CDADMM CCn1ncnc1CSc1cccnc1-c1nn[n-]n1 ZINC001604623883 1163254501 /nfs/dbraw/zinc/25/45/01/1163254501.db2.gz NDJHSZKXWOAKDB-UHFFFAOYSA-N -1 1 288.340 1.165 20 0 CDADMM COc1cc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)ccc1C ZINC001605201148 1163484371 /nfs/dbraw/zinc/48/43/71/1163484371.db2.gz SEQRDDJAGDGQLU-UHFFFAOYSA-N -1 1 299.294 1.159 20 0 CDADMM CCN(CCC(C)(C)C(=O)[O-])Cc1cn(C)nn1 ZINC001605444027 1163568046 /nfs/dbraw/zinc/56/80/46/1163568046.db2.gz YZLHMZNBPXRIEJ-UHFFFAOYSA-N -1 1 254.334 1.138 20 0 CDADMM CCNC(=O)N1CC[C@@H](N[C@@H](C)c2cc(C(=O)[O-])co2)C1 ZINC001605494765 1163584776 /nfs/dbraw/zinc/58/47/76/1163584776.db2.gz HIFROQFXSWFKSE-GXSJLCMTSA-N -1 1 295.339 1.432 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCC2(F)F)n1 ZINC001605572714 1163612964 /nfs/dbraw/zinc/61/29/64/1163612964.db2.gz LUVFJIUSAOJSKR-MRVPVSSYSA-N -1 1 281.270 1.565 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCC2(F)F)n1 ZINC001605572714 1163612967 /nfs/dbraw/zinc/61/29/67/1163612967.db2.gz LUVFJIUSAOJSKR-MRVPVSSYSA-N -1 1 281.270 1.565 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)c2cnccc2C)n1 ZINC001605568636 1163613559 /nfs/dbraw/zinc/61/35/59/1163613559.db2.gz MWZSKIFXLVLMNW-JTQLQIEISA-N -1 1 296.338 1.842 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)c2cnccc2C)n1 ZINC001605568636 1163613562 /nfs/dbraw/zinc/61/35/62/1163613562.db2.gz MWZSKIFXLVLMNW-JTQLQIEISA-N -1 1 296.338 1.842 20 0 CDADMM CCO[C@@H](C)c1noc(CN2C[C@@H](C)[C@H](CC(=O)[O-])C2)n1 ZINC001605590914 1163617979 /nfs/dbraw/zinc/61/79/79/1163617979.db2.gz VGASRGNECDNCKZ-OUAUKWLOSA-N -1 1 297.355 1.710 20 0 CDADMM Cc1cc(CNc2ccnc(-c3nnn[n-]3)c2)cc(C)c1O ZINC001605661656 1163639326 /nfs/dbraw/zinc/63/93/26/1163639326.db2.gz FBEXUIUEVGXDPF-UHFFFAOYSA-N -1 1 296.334 1.618 20 0 CDADMM Cc1cc(CNc2ccnc(-c3nn[n-]n3)c2)cc(C)c1O ZINC001605661656 1163639330 /nfs/dbraw/zinc/63/93/30/1163639330.db2.gz FBEXUIUEVGXDPF-UHFFFAOYSA-N -1 1 296.334 1.618 20 0 CDADMM Cc1cc(NCC(C)(C)F)nc(-c2nnn[n-]2)c1 ZINC001605723220 1163651707 /nfs/dbraw/zinc/65/17/07/1163651707.db2.gz JIZFYZKCOCCFLW-UHFFFAOYSA-N -1 1 250.281 1.730 20 0 CDADMM Cc1cc(NCC(C)(C)F)nc(-c2nn[n-]n2)c1 ZINC001605723220 1163651711 /nfs/dbraw/zinc/65/17/11/1163651711.db2.gz JIZFYZKCOCCFLW-UHFFFAOYSA-N -1 1 250.281 1.730 20 0 CDADMM CCc1[nH]c(CN2CC[C@H](n3cncn3)C2)cc1C(=O)[O-] ZINC001605771550 1163665772 /nfs/dbraw/zinc/66/57/72/1163665772.db2.gz CVOMHSHWKAJFDO-NSHDSACASA-N -1 1 289.339 1.314 20 0 CDADMM Cc1[nH]nc(NCc2ccsc2)c1-c1nnn[n-]1 ZINC001606013575 1163744024 /nfs/dbraw/zinc/74/40/24/1163744024.db2.gz CPRJSDUICUBEJJ-UHFFFAOYSA-N -1 1 261.314 1.572 20 0 CDADMM Cc1[nH]nc(NCc2ccsc2)c1-c1nn[n-]n1 ZINC001606013575 1163744030 /nfs/dbraw/zinc/74/40/30/1163744030.db2.gz CPRJSDUICUBEJJ-UHFFFAOYSA-N -1 1 261.314 1.572 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC(C)(C3CC3)CC2)n1 ZINC001606019580 1163746511 /nfs/dbraw/zinc/74/65/11/1163746511.db2.gz JBIJTSKEJRKQTH-UHFFFAOYSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC(C)(C3CC3)CC2)n1 ZINC001606019580 1163746514 /nfs/dbraw/zinc/74/65/14/1163746514.db2.gz JBIJTSKEJRKQTH-UHFFFAOYSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1nc(NC2CC(F)(F)C2)cc(-c2nnn[n-]2)n1 ZINC001606064041 1163761330 /nfs/dbraw/zinc/76/13/30/1163761330.db2.gz VLPATSCTAUDGSG-UHFFFAOYSA-N -1 1 267.243 1.175 20 0 CDADMM Cc1nc(NC2CC(F)(F)C2)cc(-c2nn[n-]n2)n1 ZINC001606064041 1163761332 /nfs/dbraw/zinc/76/13/32/1163761332.db2.gz VLPATSCTAUDGSG-UHFFFAOYSA-N -1 1 267.243 1.175 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)CC(F)F ZINC001606164716 1163794544 /nfs/dbraw/zinc/79/45/44/1163794544.db2.gz DUJGESGFMUALKL-UHFFFAOYSA-N -1 1 271.227 1.105 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)CC(F)F ZINC001606164716 1163794552 /nfs/dbraw/zinc/79/45/52/1163794552.db2.gz DUJGESGFMUALKL-UHFFFAOYSA-N -1 1 271.227 1.105 20 0 CDADMM Fc1ccc2c(c1)CN(c1cccnc1-c1nnn[n-]1)CC2 ZINC001606326682 1163861868 /nfs/dbraw/zinc/86/18/68/1163861868.db2.gz JJRORQBPXNPPSP-UHFFFAOYSA-N -1 1 296.309 1.964 20 0 CDADMM Fc1ccc2c(c1)CN(c1cccnc1-c1nn[n-]n1)CC2 ZINC001606326682 1163861878 /nfs/dbraw/zinc/86/18/78/1163861878.db2.gz JJRORQBPXNPPSP-UHFFFAOYSA-N -1 1 296.309 1.964 20 0 CDADMM Fc1cccc(COc2cccnc2-c2nnn[n-]2)c1 ZINC001606327693 1163862431 /nfs/dbraw/zinc/86/24/31/1163862431.db2.gz DKNCHGIDXYIGJQ-UHFFFAOYSA-N -1 1 271.255 1.980 20 0 CDADMM Fc1cccc(COc2cccnc2-c2nn[n-]n2)c1 ZINC001606327693 1163862440 /nfs/dbraw/zinc/86/24/40/1163862440.db2.gz DKNCHGIDXYIGJQ-UHFFFAOYSA-N -1 1 271.255 1.980 20 0 CDADMM COC(=O)c1sccc1CN[C@]1(CC(=O)[O-])CCOC1 ZINC001606643819 1163944502 /nfs/dbraw/zinc/94/45/02/1163944502.db2.gz KWAPBSMPOPKNNQ-ZDUSSCGKSA-N -1 1 299.348 1.258 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCC[C@H]1C1CC1 ZINC001606944435 1164034590 /nfs/dbraw/zinc/03/45/90/1164034590.db2.gz SFYLVBJODFQBKY-LBPRGKRZSA-N -1 1 299.338 1.668 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCC[C@H]1C1CC1 ZINC001606944435 1164034592 /nfs/dbraw/zinc/03/45/92/1164034592.db2.gz SFYLVBJODFQBKY-LBPRGKRZSA-N -1 1 299.338 1.668 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@H](CF)C1 ZINC001607016817 1164060189 /nfs/dbraw/zinc/06/01/89/1164060189.db2.gz HHJKLJFGSDKCEQ-MRVPVSSYSA-N -1 1 295.343 1.750 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@H](CF)C1 ZINC001607016817 1164060193 /nfs/dbraw/zinc/06/01/93/1164060193.db2.gz HHJKLJFGSDKCEQ-MRVPVSSYSA-N -1 1 295.343 1.750 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCOc2ccccc21 ZINC001607017338 1164060238 /nfs/dbraw/zinc/06/02/38/1164060238.db2.gz QCYISDQUEOCFRZ-UHFFFAOYSA-N -1 1 297.274 1.499 20 0 CDADMM O=c1c(-c2nn[n-]n2)cncn1Cc1cc2ccccc2o1 ZINC001607090092 1164074925 /nfs/dbraw/zinc/07/49/25/1164074925.db2.gz VERWTACAQFJMFV-UHFFFAOYSA-N -1 1 294.274 1.218 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(-c2nc(CC3CC3)no2)c1 ZINC001607116693 1164096957 /nfs/dbraw/zinc/09/69/57/1164096957.db2.gz SGCZMJGBHOQRDV-UHFFFAOYSA-N -1 1 269.268 1.264 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(-c2nc(CC3CC3)no2)c1 ZINC001607116693 1164096964 /nfs/dbraw/zinc/09/69/64/1164096964.db2.gz SGCZMJGBHOQRDV-UHFFFAOYSA-N -1 1 269.268 1.264 20 0 CDADMM c1cc(CN(c2ccnc(-c3nn[n-]n3)n2)C2CC2)co1 ZINC001607120511 1164103951 /nfs/dbraw/zinc/10/39/51/1164103951.db2.gz VRDAXWQMWWMBFS-UHFFFAOYSA-N -1 1 283.295 1.419 20 0 CDADMM c1ccc2c(c1)OC[C@H]2CNc1ccc(-c2nnn[n-]2)nn1 ZINC001607131923 1164110696 /nfs/dbraw/zinc/11/06/96/1164110696.db2.gz PPEBQHHBKKPXSL-SECBINFHSA-N -1 1 295.306 1.245 20 0 CDADMM c1ccc2c(c1)OC[C@H]2CNc1ccc(-c2nn[n-]n2)nn1 ZINC001607131923 1164110697 /nfs/dbraw/zinc/11/06/97/1164110697.db2.gz PPEBQHHBKKPXSL-SECBINFHSA-N -1 1 295.306 1.245 20 0 CDADMM c1cncc([C@H]2C[C@@H]2Nc2cncc(-c3nnn[n-]3)n2)c1 ZINC001607135515 1164115179 /nfs/dbraw/zinc/11/51/79/1164115179.db2.gz HZLWIBFYAZMEMH-ZJUUUORDSA-N -1 1 280.295 1.020 20 0 CDADMM c1cncc([C@H]2C[C@@H]2Nc2cncc(-c3nn[n-]n3)n2)c1 ZINC001607135515 1164115182 /nfs/dbraw/zinc/11/51/82/1164115182.db2.gz HZLWIBFYAZMEMH-ZJUUUORDSA-N -1 1 280.295 1.020 20 0 CDADMM c1cnc2c(c1)CCC[C@H]2Nc1cnc(-c2nnn[n-]2)cn1 ZINC001607136362 1164116002 /nfs/dbraw/zinc/11/60/02/1164116002.db2.gz WTXYIZLPACADKN-SNVBAGLBSA-N -1 1 294.322 1.541 20 0 CDADMM c1cnc2c(c1)CCC[C@H]2Nc1cnc(-c2nn[n-]n2)cn1 ZINC001607136362 1164116011 /nfs/dbraw/zinc/11/60/11/1164116011.db2.gz WTXYIZLPACADKN-SNVBAGLBSA-N -1 1 294.322 1.541 20 0 CDADMM COc1ccc(CN2CCSC[C@@H]2CC(=O)[O-])o1 ZINC001607252075 1164136900 /nfs/dbraw/zinc/13/69/00/1164136900.db2.gz KHEGZWFTVVIAHG-VIFPVBQESA-N -1 1 271.338 1.680 20 0 CDADMM COc1cccc(C[N@@H+](CCC(=O)[O-])CC(=O)[O-])c1F ZINC001607321350 1164147054 /nfs/dbraw/zinc/14/70/54/1164147054.db2.gz BNKAYAYAHUCJSC-UHFFFAOYSA-N -1 1 285.271 1.196 20 0 CDADMM COc1cccnc1CNC[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC001607348812 1164152448 /nfs/dbraw/zinc/15/24/48/1164152448.db2.gz OPJASLIXRVYCSF-OIBJUYFYSA-N -1 1 272.251 1.146 20 0 CDADMM C[C@@]12CN(Cc3cn(CC(=O)[O-])nn3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001607449439 1164185805 /nfs/dbraw/zinc/18/58/05/1164185805.db2.gz KPXQCQQREDAIMI-OICBVUGWSA-N -1 1 290.367 1.231 20 0 CDADMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC001607491657 1164205418 /nfs/dbraw/zinc/20/54/18/1164205418.db2.gz QRFYIZQLSWILRB-RKDXNWHRSA-N -1 1 293.367 1.494 20 0 CDADMM Cc1cccc(CN(C)C[C@H]2[C@H](C(=O)[O-])C2(F)F)n1 ZINC001607851278 1164312163 /nfs/dbraw/zinc/31/21/63/1164312163.db2.gz PGJOZJBQTRTSJM-WDEREUQCSA-N -1 1 270.279 1.788 20 0 CDADMM Cc1oc(C[N@H+](CC(=O)[O-])C2CCC2)cc1C(=O)[O-] ZINC001608049601 1164394481 /nfs/dbraw/zinc/39/44/81/1164394481.db2.gz VDLLBETXIYVQBL-UHFFFAOYSA-N -1 1 267.281 1.725 20 0 CDADMM Cc1oc(C[N@@H+](CC(=O)[O-])C2CCC2)cc1C(=O)[O-] ZINC001608049601 1164394489 /nfs/dbraw/zinc/39/44/89/1164394489.db2.gz VDLLBETXIYVQBL-UHFFFAOYSA-N -1 1 267.281 1.725 20 0 CDADMM O=C(CN1CCCCCC1)NC1(C(=O)[O-])CCCCC1 ZINC001608331036 1164492849 /nfs/dbraw/zinc/49/28/49/1164492849.db2.gz MEWQIZFDLKFEJS-UHFFFAOYSA-N -1 1 282.384 1.766 20 0 CDADMM O=C([O-])[C@@H](NC(=O)Cc1cnc[nH]1)c1ccccc1F ZINC001608369180 1164499413 /nfs/dbraw/zinc/49/94/13/1164499413.db2.gz PUHBKSPYNKWRRY-LBPRGKRZSA-N -1 1 277.255 1.033 20 0 CDADMM O=C([O-])[C@@H](NCc1nnc(C(F)(F)F)s1)C1CC1 ZINC001608553012 1164543627 /nfs/dbraw/zinc/54/36/27/1164543627.db2.gz RKPOHCLWXOZNPB-LURJTMIESA-N -1 1 281.259 1.510 20 0 CDADMM O=C([O-])C1([C@@]2(O)CCC[N@@H+](Cc3nccs3)C2)CCC1 ZINC001608568637 1164549890 /nfs/dbraw/zinc/54/98/90/1164549890.db2.gz WGZZHBLHOQODDZ-CQSZACIVSA-N -1 1 296.392 1.725 20 0 CDADMM O=C([O-])C1([C@@]2(O)CCCN(Cc3nccs3)C2)CCC1 ZINC001608568637 1164549895 /nfs/dbraw/zinc/54/98/95/1164549895.db2.gz WGZZHBLHOQODDZ-CQSZACIVSA-N -1 1 296.392 1.725 20 0 CDADMM O=C([O-])C12CC(C(=O)NOc3ccc(F)cc3)(C1)C2 ZINC001608582245 1164555393 /nfs/dbraw/zinc/55/53/93/1164555393.db2.gz FVENVSGJLPQBEW-UHFFFAOYSA-N -1 1 265.240 1.491 20 0 CDADMM O=C([O-])c1ccc(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)[nH]1 ZINC001608882138 1164672223 /nfs/dbraw/zinc/67/22/23/1164672223.db2.gz IOKHBVINHQMNQC-QMMMGPOBSA-N -1 1 252.270 1.010 20 0 CDADMM O=C([O-])c1ncn(CN2CCC[C@@H]2CC2CCCC2)n1 ZINC001609002050 1164718473 /nfs/dbraw/zinc/71/84/73/1164718473.db2.gz ALDPCMFDCQJDLK-GFCCVEGCSA-N -1 1 278.356 1.979 20 0 CDADMM CC(C)(O)CON=c1s[nH]c(Cl)c1-c1nnn[n-]1 ZINC001609085216 1164761285 /nfs/dbraw/zinc/76/12/85/1164761285.db2.gz CLOMHSALXDRHOD-UHFFFAOYSA-N -1 1 290.736 1.091 20 0 CDADMM CC(C)[C@@H]1C[C@H]1CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609104199 1164769111 /nfs/dbraw/zinc/76/91/11/1164769111.db2.gz XMYFVEOTHAMLSA-UWVGGRQHSA-N -1 1 286.339 1.284 20 0 CDADMM CC(C)[C@@H]1C[C@H]1CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609104199 1164769117 /nfs/dbraw/zinc/76/91/17/1164769117.db2.gz XMYFVEOTHAMLSA-UWVGGRQHSA-N -1 1 286.339 1.284 20 0 CDADMM C[C@H](Nc1ncncc1-c1nn[n-]n1)c1ccccn1 ZINC001609127145 1164784434 /nfs/dbraw/zinc/78/44/34/1164784434.db2.gz WLKYCOCHDXAOIP-QMMMGPOBSA-N -1 1 268.284 1.225 20 0 CDADMM C[C@]1(CNc2cccnc2-c2nnn[n-]2)CCCC[C@@H]1O ZINC001609149259 1164795183 /nfs/dbraw/zinc/79/51/83/1164795183.db2.gz GDCJMWDIUKGXLQ-SMDDNHRTSA-N -1 1 288.355 1.615 20 0 CDADMM C[C@]1(CNc2cccnc2-c2nn[n-]n2)CCCC[C@@H]1O ZINC001609149259 1164795190 /nfs/dbraw/zinc/79/51/90/1164795190.db2.gz GDCJMWDIUKGXLQ-SMDDNHRTSA-N -1 1 288.355 1.615 20 0 CDADMM C[C@@H]1C[C@H](C)N1S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609157245 1164802671 /nfs/dbraw/zinc/80/26/71/1164802671.db2.gz QGENJJDSFNFQRH-KNVOCYPGSA-N -1 1 299.381 1.100 20 0 CDADMM C[C@@H]1C[C@H](C)N1S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609157245 1164802676 /nfs/dbraw/zinc/80/26/76/1164802676.db2.gz QGENJJDSFNFQRH-KNVOCYPGSA-N -1 1 299.381 1.100 20 0 CDADMM C[C@@H]1CCC[C@H]1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609163932 1164811806 /nfs/dbraw/zinc/81/18/06/1164811806.db2.gz IQQPORPDWAWGSB-LDYMZIIASA-N -1 1 289.314 1.924 20 0 CDADMM C[C@@H]1CCC[C@H]1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609163932 1164811811 /nfs/dbraw/zinc/81/18/11/1164811811.db2.gz IQQPORPDWAWGSB-LDYMZIIASA-N -1 1 289.314 1.924 20 0 CDADMM CC[C@H]1CN(c2cc(C)nc(-c3nnn[n-]3)c2)CCCO1 ZINC001609202979 1164843403 /nfs/dbraw/zinc/84/34/03/1164843403.db2.gz TWVIATNSASELHF-LBPRGKRZSA-N -1 1 288.355 1.575 20 0 CDADMM CC[C@H]1CN(c2cc(C)nc(-c3nn[n-]n3)c2)CCCO1 ZINC001609202979 1164843407 /nfs/dbraw/zinc/84/34/07/1164843407.db2.gz TWVIATNSASELHF-LBPRGKRZSA-N -1 1 288.355 1.575 20 0 CDADMM CCCc1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)n[nH]1 ZINC001609217903 1164851522 /nfs/dbraw/zinc/85/15/22/1164851522.db2.gz WBQAZIUQORRFQF-UHFFFAOYSA-N -1 1 287.283 1.388 20 0 CDADMM CCO[C@@H]1CCC[C@H]1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609241643 1164864110 /nfs/dbraw/zinc/86/41/10/1164864110.db2.gz KHEGBHAFVNULNT-MWLCHTKSSA-N -1 1 289.343 1.335 20 0 CDADMM CCO[C@@H]1CCC[C@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609241643 1164864119 /nfs/dbraw/zinc/86/41/19/1164864119.db2.gz KHEGBHAFVNULNT-MWLCHTKSSA-N -1 1 289.343 1.335 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC(C)(C)C(F)F)n1 ZINC001609392647 1164925970 /nfs/dbraw/zinc/92/59/70/1164925970.db2.gz YKYWUCMHZCDQNH-UHFFFAOYSA-N -1 1 269.259 1.421 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC(C)(C)C(F)F)n1 ZINC001609392647 1164925974 /nfs/dbraw/zinc/92/59/74/1164925974.db2.gz YKYWUCMHZCDQNH-UHFFFAOYSA-N -1 1 269.259 1.421 20 0 CDADMM Cc1cc(NCCCOCC2CC2)cc(-c2nnn[n-]2)n1 ZINC001609409334 1164934852 /nfs/dbraw/zinc/93/48/52/1164934852.db2.gz HUWUGILMHDCAJF-UHFFFAOYSA-N -1 1 288.355 1.799 20 0 CDADMM Cc1cc(NCCCOCC2CC2)cc(-c2nn[n-]n2)n1 ZINC001609409334 1164934857 /nfs/dbraw/zinc/93/48/57/1164934857.db2.gz HUWUGILMHDCAJF-UHFFFAOYSA-N -1 1 288.355 1.799 20 0 CDADMM FC(F)CN(Cc1nc(-c2nnn[n-]2)cs1)C1CC1 ZINC001609486581 1164971118 /nfs/dbraw/zinc/97/11/18/1164971118.db2.gz YSXTVGQQLKYOKS-UHFFFAOYSA-N -1 1 286.311 1.553 20 0 CDADMM FC(F)CN(Cc1nc(-c2nn[n-]n2)cs1)C1CC1 ZINC001609486581 1164971122 /nfs/dbraw/zinc/97/11/22/1164971122.db2.gz YSXTVGQQLKYOKS-UHFFFAOYSA-N -1 1 286.311 1.553 20 0 CDADMM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(-c2nnn[n-]2)o1 ZINC001609540618 1164984038 /nfs/dbraw/zinc/98/40/38/1164984038.db2.gz HJXYTPZONFEBMH-XHNCKOQMSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(-c2nn[n-]n2)o1 ZINC001609540618 1164984045 /nfs/dbraw/zinc/98/40/45/1164984045.db2.gz HJXYTPZONFEBMH-XHNCKOQMSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(N[C@H]1CC12CC2)c1ccc(-c2nn[n-]n2)s1 ZINC001609540200 1164985345 /nfs/dbraw/zinc/98/53/45/1164985345.db2.gz RVBBTGVQKYOWNQ-QMMMGPOBSA-N -1 1 261.310 1.211 20 0 CDADMM O=C(N[C@H]1CC12CC2)c1ccc(-c2nnn[n-]2)s1 ZINC001609540200 1164985339 /nfs/dbraw/zinc/98/53/39/1164985339.db2.gz RVBBTGVQKYOWNQ-QMMMGPOBSA-N -1 1 261.310 1.211 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2C[C@]3(CCCO3)[C@H]2C2CC2)c1 ZINC001609613081 1165006987 /nfs/dbraw/zinc/00/69/87/1165006987.db2.gz IVNSEVHWVRCASR-UKRRQHHQSA-N -1 1 298.350 1.410 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2C[C@]3(CCCO3)[C@H]2C2CC2)c1 ZINC001609613081 1165006992 /nfs/dbraw/zinc/00/69/92/1165006992.db2.gz IVNSEVHWVRCASR-UKRRQHHQSA-N -1 1 298.350 1.410 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(-c2nc(C[C@@H]3CCCO3)no2)c1 ZINC001609613176 1165007823 /nfs/dbraw/zinc/00/78/23/1165007823.db2.gz PTHAAONKAMRQOU-QMMMGPOBSA-N -1 1 299.294 1.033 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(-c2nc(C[C@@H]3CCCO3)no2)c1 ZINC001609613176 1165007827 /nfs/dbraw/zinc/00/78/27/1165007827.db2.gz PTHAAONKAMRQOU-QMMMGPOBSA-N -1 1 299.294 1.033 20 0 CDADMM c1cn(CCCc2ccncc2)c(-c2nnn[n-]2)n1 ZINC001609613843 1165008674 /nfs/dbraw/zinc/00/86/74/1165008674.db2.gz FGTVZTDHFOUERR-UHFFFAOYSA-N -1 1 255.285 1.091 20 0 CDADMM c1cn(CCCc2ccncc2)c(-c2nn[n-]n2)n1 ZINC001609613843 1165008678 /nfs/dbraw/zinc/00/86/78/1165008678.db2.gz FGTVZTDHFOUERR-UHFFFAOYSA-N -1 1 255.285 1.091 20 0 CDADMM c1nc(N2C[C@H](C3CC3)[C@H]2C2CC2)cnc1-c1nnn[n-]1 ZINC001609620957 1165018541 /nfs/dbraw/zinc/01/85/41/1165018541.db2.gz KMPVRIQQOWYKOM-ZWNOBZJWSA-N -1 1 283.339 1.282 20 0 CDADMM c1nc(N2C[C@H](C3CC3)[C@H]2C2CC2)cnc1-c1nn[n-]n1 ZINC001609620957 1165018548 /nfs/dbraw/zinc/01/85/48/1165018548.db2.gz KMPVRIQQOWYKOM-ZWNOBZJWSA-N -1 1 283.339 1.282 20 0 CDADMM C[C@H](Cc1ccsc1)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001609750589 1165067118 /nfs/dbraw/zinc/06/71/18/1165067118.db2.gz PJGWZYOKCZDWGF-ZYHUDNBSSA-N -1 1 296.392 1.344 20 0 CDADMM C[C@H](N[C@H]1CC(=O)N(C2CC2)C1)c1cc(C(=O)[O-])co1 ZINC001609776082 1165076261 /nfs/dbraw/zinc/07/62/61/1165076261.db2.gz PJPBJNFLBSHLFO-WPRPVWTQSA-N -1 1 278.308 1.392 20 0 CDADMM C[C@]1(C(=O)[O-])CCCN(Cn2cc3[nH]cccc-3c2=O)C1 ZINC001609812014 1165090916 /nfs/dbraw/zinc/09/09/16/1165090916.db2.gz XZXHNZRJHVZRNU-HNNXBMFYSA-N -1 1 289.335 1.182 20 0 CDADMM Cc1ccc([C@@H]2CCN(Cn3cc(C(=O)[O-])nn3)C2)cc1 ZINC001610498085 1165330545 /nfs/dbraw/zinc/33/05/45/1165330545.db2.gz BTZNPQWSPBZRCK-CYBMUJFWSA-N -1 1 286.335 1.732 20 0 CDADMM O=C([O-])c1occc1COC(=O)CCCCc1cn[nH]n1 ZINC001610655685 1165398653 /nfs/dbraw/zinc/39/86/53/1165398653.db2.gz OKSIPXVADTVHFN-UHFFFAOYSA-N -1 1 293.279 1.552 20 0 CDADMM Cc1cccc2c1O[C@@H](C(=O)Nc1c[n-][nH]c1=O)C2 ZINC001611379417 1165490778 /nfs/dbraw/zinc/49/07/78/1165490778.db2.gz HVTATTGAFUEELI-SNVBAGLBSA-N -1 1 259.265 1.366 20 0 CDADMM C[S@@](=O)c1ccc(C(=O)Nc2c[n-][nH]c2=O)cc1 ZINC001611379842 1165491563 /nfs/dbraw/zinc/49/15/63/1165491563.db2.gz KMFNGKSHVKDJBQ-GOSISDBHSA-N -1 1 265.294 1.105 20 0 CDADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2CO)cc1 ZINC000042266869 1166055774 /nfs/dbraw/zinc/05/57/74/1166055774.db2.gz SGWWXHFERJQIPB-UHFFFAOYSA-N -1 1 293.344 1.988 20 0 CDADMM O=C(c1ncc2ccccc2c1[O-])N1CCn2cncc2C1 ZINC001629136861 1166116921 /nfs/dbraw/zinc/11/69/21/1166116921.db2.gz OJEZBPAVRQSNPV-UHFFFAOYSA-N -1 1 294.314 1.793 20 0 CDADMM O=C(NCc1ccccc1-n1cccn1)c1ccc([O-])cn1 ZINC001631916233 1166315921 /nfs/dbraw/zinc/31/59/21/1166315921.db2.gz NTYSMLGHKZAIKX-UHFFFAOYSA-N -1 1 294.314 1.903 20 0 CDADMM O=C(c1cccc([O-])c1F)N1CC2(C1)CCOCC2 ZINC001633801152 1166451807 /nfs/dbraw/zinc/45/18/07/1166451807.db2.gz UUUMFYILHJZMJD-UHFFFAOYSA-N -1 1 265.284 1.784 20 0 CDADMM CC(C)CN(CC(C)C)c1cnc(-c2nnn[n-]2)cn1 ZINC000095199279 1166606659 /nfs/dbraw/zinc/60/66/59/1166606659.db2.gz OCCNVVBDLXTJAE-UHFFFAOYSA-N -1 1 275.360 1.775 20 0 CDADMM CC(C)CN(CC(C)C)c1cnc(-c2nn[n-]n2)cn1 ZINC000095199279 1166606663 /nfs/dbraw/zinc/60/66/63/1166606663.db2.gz OCCNVVBDLXTJAE-UHFFFAOYSA-N -1 1 275.360 1.775 20 0 CDADMM CCn1ncn(NC(=O)c2ccc3ccccc3c2[O-])c1=O ZINC001636798246 1166698543 /nfs/dbraw/zinc/69/85/43/1166698543.db2.gz MGEVXKVPESRTBI-UHFFFAOYSA-N -1 1 298.302 1.307 20 0 CDADMM O=C(Nc1cc([O-])c(F)cc1F)c1ccnnc1 ZINC001637366874 1166751330 /nfs/dbraw/zinc/75/13/30/1166751330.db2.gz UDOATFPQFMFLAK-UHFFFAOYSA-N -1 1 251.192 1.713 20 0 CDADMM O=C(Cn1ccc2ccccc2c1=O)Nc1c[n-][nH]c1=O ZINC001638735362 1166867309 /nfs/dbraw/zinc/86/73/09/1166867309.db2.gz FBBBMRGKSUPRIK-UHFFFAOYSA-N -1 1 284.275 1.069 20 0 CDADMM CN(CC(=O)[N-]O[C@H]1CCCCO1)Cc1ccccc1 ZINC000060336430 1167350969 /nfs/dbraw/zinc/35/09/69/1167350969.db2.gz XSDVILGJIWYDQD-HNNXBMFYSA-N -1 1 278.352 1.693 20 0 CDADMM CO[C@H](CN(C)[C@@H](COC1CCC1)C(=O)[O-])C1CC1 ZINC001606668082 1167905416 /nfs/dbraw/zinc/90/54/16/1167905416.db2.gz HMEXSJGEIWYWAF-QWHCGFSZSA-N -1 1 271.357 1.366 20 0 CDADMM CC[C@H]1[C@@H](C)CCN1c1nnc(Cc2nnn[n-]2)n1CC ZINC001647704733 1169031826 /nfs/dbraw/zinc/03/18/26/1169031826.db2.gz IMCIUWRELNTFFI-UWVGGRQHSA-N -1 1 290.375 1.027 20 0 CDADMM CC[C@H]1[C@@H](C)CCN1c1nnc(Cc2nn[n-]n2)n1CC ZINC001647704733 1169031836 /nfs/dbraw/zinc/03/18/36/1169031836.db2.gz IMCIUWRELNTFFI-UWVGGRQHSA-N -1 1 290.375 1.027 20 0 CDADMM C[C@@H]1C[C@H](C)N(C(=O)CCc2cnc[nH]2)[C@@H](C)[C@H]1C(=O)[O-] ZINC001650505687 1171134895 /nfs/dbraw/zinc/13/48/95/1171134895.db2.gz KOJVUBFLJJDVQS-ZHPDPMBESA-N -1 1 293.367 1.689 20 0 CDADMM C[C@H]1CN(c2ccnc(-c3nnn[n-]3)c2)Cc2cncnc21 ZINC001576367080 1171402879 /nfs/dbraw/zinc/40/28/79/1171402879.db2.gz XQWHJYYKQKRLBF-VIFPVBQESA-N -1 1 294.322 1.175 20 0 CDADMM C[C@H]1CN(c2ccnc(-c3nn[n-]n3)c2)Cc2cncnc21 ZINC001576367080 1171402887 /nfs/dbraw/zinc/40/28/87/1171402887.db2.gz XQWHJYYKQKRLBF-VIFPVBQESA-N -1 1 294.322 1.175 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)C(F)(F)c1nccs1 ZINC001654603317 1171625342 /nfs/dbraw/zinc/62/53/42/1171625342.db2.gz JAZQJTNMENTGJY-UHFFFAOYSA-N -1 1 260.225 1.302 20 0 CDADMM O=C(C=Cc1ccco1)Nc1nc(-c2ccco2)n[n-]1 ZINC000076653355 1172240005 /nfs/dbraw/zinc/24/00/05/1172240005.db2.gz BPPKRZRGRYOEOD-AATRIKPKSA-N -1 1 270.248 1.732 20 0 CDADMM Fc1cncc(Oc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001581855567 1172624484 /nfs/dbraw/zinc/62/44/84/1172624484.db2.gz FYMRTDRCCUIJGZ-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM Fc1cncc(Oc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001581855567 1172624487 /nfs/dbraw/zinc/62/44/87/1172624487.db2.gz FYMRTDRCCUIJGZ-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM O=C(C=Cc1ccccc1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001581954864 1172633603 /nfs/dbraw/zinc/63/36/03/1172633603.db2.gz MEUZGKILZFBQTD-SREVYHEPSA-N -1 1 281.279 1.242 20 0 CDADMM O=C(C[C@H]1C=CCC1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001581966424 1172636402 /nfs/dbraw/zinc/63/64/02/1172636402.db2.gz WCQQOVFQJBWEGX-VIFPVBQESA-N -1 1 289.364 1.901 20 0 CDADMM O=C(NCCCc1ccco1)c1cccc(-c2nnn[n-]2)n1 ZINC001582509470 1172679326 /nfs/dbraw/zinc/67/93/26/1172679326.db2.gz TYJRNMLCPLFCPL-UHFFFAOYSA-N -1 1 298.306 1.217 20 0 CDADMM O=C(NCCCc1ccco1)c1cccc(-c2nn[n-]n2)n1 ZINC001582509470 1172679332 /nfs/dbraw/zinc/67/93/32/1172679332.db2.gz TYJRNMLCPLFCPL-UHFFFAOYSA-N -1 1 298.306 1.217 20 0 CDADMM O=C(Nc1ccc(C2CC2)nn1)c1coc(-c2nnn[n-]2)c1 ZINC001582639111 1172686384 /nfs/dbraw/zinc/68/63/84/1172686384.db2.gz NQMSCERWRCMONE-UHFFFAOYSA-N -1 1 297.278 1.379 20 0 CDADMM O=C(Nc1ccc(C2CC2)nn1)c1coc(-c2nn[n-]n2)c1 ZINC001582639111 1172686389 /nfs/dbraw/zinc/68/63/89/1172686389.db2.gz NQMSCERWRCMONE-UHFFFAOYSA-N -1 1 297.278 1.379 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCOc2ccccc21 ZINC001582741698 1172690360 /nfs/dbraw/zinc/69/03/60/1172690360.db2.gz HEFWHQQPRWOSMX-UHFFFAOYSA-N -1 1 297.274 1.499 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCOc2ccccc21 ZINC001582741698 1172690365 /nfs/dbraw/zinc/69/03/65/1172690365.db2.gz HEFWHQQPRWOSMX-UHFFFAOYSA-N -1 1 297.274 1.499 20 0 CDADMM O=C([N-]c1cnsn1)c1ncoc1-c1ccon1 ZINC001586900396 1172965208 /nfs/dbraw/zinc/96/52/08/1172965208.db2.gz YAQUORCEXQPKPJ-UHFFFAOYSA-N -1 1 263.238 1.433 20 0 CDADMM CC(C)(NC(=O)c1ccnc(-c2nnn[n-]2)c1)C1CCC1 ZINC001589321978 1173138200 /nfs/dbraw/zinc/13/82/00/1173138200.db2.gz KIIIXEGGFHYRPN-UHFFFAOYSA-N -1 1 286.339 1.570 20 0 CDADMM CC(C)(NC(=O)c1ccnc(-c2nn[n-]n2)c1)C1CCC1 ZINC001589321978 1173138206 /nfs/dbraw/zinc/13/82/06/1173138206.db2.gz KIIIXEGGFHYRPN-UHFFFAOYSA-N -1 1 286.339 1.570 20 0 CDADMM CC(C)(O)CCSCc1ccnc(-c2nnn[n-]2)c1 ZINC001589339407 1173139551 /nfs/dbraw/zinc/13/95/51/1173139551.db2.gz WZYWTICMAVGUNO-UHFFFAOYSA-N -1 1 279.369 1.656 20 0 CDADMM CC(C)(O)CCSCc1ccnc(-c2nn[n-]n2)c1 ZINC001589339407 1173139559 /nfs/dbraw/zinc/13/95/59/1173139559.db2.gz WZYWTICMAVGUNO-UHFFFAOYSA-N -1 1 279.369 1.656 20 0 CDADMM C[C@H](CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccncc1 ZINC001589794011 1173180700 /nfs/dbraw/zinc/18/07/00/1173180700.db2.gz FEFNIFJHHHEBTB-MRVPVSSYSA-N -1 1 298.310 1.117 20 0 CDADMM C[C@H](CC(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccncc1 ZINC001589794011 1173180701 /nfs/dbraw/zinc/18/07/01/1173180701.db2.gz FEFNIFJHHHEBTB-MRVPVSSYSA-N -1 1 298.310 1.117 20 0 CDADMM C[C@@H](CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1ccncc1 ZINC001589795342 1173185229 /nfs/dbraw/zinc/18/52/29/1173185229.db2.gz WITBGEMPYOKRCF-QMMMGPOBSA-N -1 1 298.310 1.117 20 0 CDADMM C[C@@]1(C(=O)OCc2ccc(-c3nnn[n-]3)o2)CC1(F)F ZINC001590072858 1173245810 /nfs/dbraw/zinc/24/58/10/1173245810.db2.gz IFZSWILLXLTREN-JTQLQIEISA-N -1 1 284.222 1.548 20 0 CDADMM C[C@@]1(C(=O)OCc2ccc(-c3nn[n-]n3)o2)CC1(F)F ZINC001590072858 1173245814 /nfs/dbraw/zinc/24/58/14/1173245814.db2.gz IFZSWILLXLTREN-JTQLQIEISA-N -1 1 284.222 1.548 20 0 CDADMM CC1(C)C[C@@H](Nc2cccnc2-c2nnn[n-]2)CCO1 ZINC001590083657 1173249289 /nfs/dbraw/zinc/24/92/89/1173249289.db2.gz IHOQWKXPHNYKDH-VIFPVBQESA-N -1 1 274.328 1.631 20 0 CDADMM CC1(C)C[C@@H](Nc2cccnc2-c2nn[n-]n2)CCO1 ZINC001590083657 1173249297 /nfs/dbraw/zinc/24/92/97/1173249297.db2.gz IHOQWKXPHNYKDH-VIFPVBQESA-N -1 1 274.328 1.631 20 0 CDADMM C[C@@]1(CCNC(=O)c2ccc(-c3nnn[n-]3)o2)CC1(F)F ZINC001590127959 1173265506 /nfs/dbraw/zinc/26/55/06/1173265506.db2.gz RWKMORHIAYUIHH-LLVKDONJSA-N -1 1 297.265 1.625 20 0 CDADMM C[C@@]1(CCNC(=O)c2ccc(-c3nn[n-]n3)o2)CC1(F)F ZINC001590127959 1173265512 /nfs/dbraw/zinc/26/55/12/1173265512.db2.gz RWKMORHIAYUIHH-LLVKDONJSA-N -1 1 297.265 1.625 20 0 CDADMM CC1=C(C(=O)OCc2ccc(-c3nnn[n-]3)o2)CCCO1 ZINC001590156574 1173276346 /nfs/dbraw/zinc/27/63/46/1173276346.db2.gz GKTCIQBTIWVPFE-UHFFFAOYSA-N -1 1 290.279 1.587 20 0 CDADMM CC1=C(C(=O)OCc2ccc(-c3nn[n-]n3)o2)CCCO1 ZINC001590156574 1173276351 /nfs/dbraw/zinc/27/63/51/1173276351.db2.gz GKTCIQBTIWVPFE-UHFFFAOYSA-N -1 1 290.279 1.587 20 0 CDADMM CC1=CCCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001590160338 1173277857 /nfs/dbraw/zinc/27/78/57/1173277857.db2.gz MZSSAHVEJUBQEV-UHFFFAOYSA-N -1 1 283.339 1.691 20 0 CDADMM CC1=CCCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001590160338 1173277863 /nfs/dbraw/zinc/27/78/63/1173277863.db2.gz MZSSAHVEJUBQEV-UHFFFAOYSA-N -1 1 283.339 1.691 20 0 CDADMM CC1=NO[C@H](CSc2cccnc2-c2nnn[n-]2)C1 ZINC001590162770 1173278057 /nfs/dbraw/zinc/27/80/57/1173278057.db2.gz NYJFRTCKXNALOD-QMMMGPOBSA-N -1 1 276.325 1.519 20 0 CDADMM CC1=NO[C@H](CSc2cccnc2-c2nn[n-]n2)C1 ZINC001590162770 1173278062 /nfs/dbraw/zinc/27/80/62/1173278062.db2.gz NYJFRTCKXNALOD-QMMMGPOBSA-N -1 1 276.325 1.519 20 0 CDADMM C[C@@H]1C[C@H](C(=O)Nc2ncc(-c3nnn[n-]3)s2)[C@@H](C)O1 ZINC001590184555 1173282056 /nfs/dbraw/zinc/28/20/56/1173282056.db2.gz HFDQWGRQVMOREN-QYNIQEEDSA-N -1 1 294.340 1.075 20 0 CDADMM C[C@@H]1C[C@H](C(=O)Nc2ncc(-c3nn[n-]n3)s2)[C@@H](C)O1 ZINC001590184555 1173282058 /nfs/dbraw/zinc/28/20/58/1173282058.db2.gz HFDQWGRQVMOREN-QYNIQEEDSA-N -1 1 294.340 1.075 20 0 CDADMM C[C@@H]1N(C(=O)c2ccc(-c3nnn[n-]3)o2)CCOC1(C)C ZINC001590332295 1173361520 /nfs/dbraw/zinc/36/15/20/1173361520.db2.gz XAYJBINWIBVKBC-QMMMGPOBSA-N -1 1 291.311 1.099 20 0 CDADMM C[C@@H]1N(C(=O)c2ccc(-c3nn[n-]n3)o2)CCOC1(C)C ZINC001590332295 1173361526 /nfs/dbraw/zinc/36/15/26/1173361526.db2.gz XAYJBINWIBVKBC-QMMMGPOBSA-N -1 1 291.311 1.099 20 0 CDADMM C/C=C\C[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590356070 1173373759 /nfs/dbraw/zinc/37/37/59/1173373759.db2.gz XEZFWXWXQKSKDP-OTDNITJGSA-N -1 1 285.355 1.839 20 0 CDADMM C/C=C\C[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590356070 1173373764 /nfs/dbraw/zinc/37/37/64/1173373764.db2.gz XEZFWXWXQKSKDP-OTDNITJGSA-N -1 1 285.355 1.839 20 0 CDADMM CCC(C)(C)OC1CN(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001590376578 1173379578 /nfs/dbraw/zinc/37/95/78/1173379578.db2.gz JGSYHBYEWGBVAN-UHFFFAOYSA-N -1 1 291.355 1.849 20 0 CDADMM CCC(C)(C)OC1CN(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001590376578 1173379583 /nfs/dbraw/zinc/37/95/83/1173379583.db2.gz JGSYHBYEWGBVAN-UHFFFAOYSA-N -1 1 291.355 1.849 20 0 CDADMM CC[C@H](C)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001590408069 1173395231 /nfs/dbraw/zinc/39/52/31/1173395231.db2.gz COTPNVVDLBVDJF-VIFPVBQESA-N -1 1 273.340 1.563 20 0 CDADMM CC[C@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)[C@@H](C)O ZINC001590471443 1173421877 /nfs/dbraw/zinc/42/18/77/1173421877.db2.gz FUJQCIHBYQVONS-APPZFPTMSA-N -1 1 289.343 1.105 20 0 CDADMM CC[C@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)[C@@H](C)O ZINC001590471443 1173421880 /nfs/dbraw/zinc/42/18/80/1173421880.db2.gz FUJQCIHBYQVONS-APPZFPTMSA-N -1 1 289.343 1.105 20 0 CDADMM CC[C@@]1(C)CN(c2cccnc2-c2nnn[n-]2)CCO1 ZINC001590489675 1173430773 /nfs/dbraw/zinc/43/07/73/1173430773.db2.gz DFJQPNNCKDOFDG-ZDUSSCGKSA-N -1 1 274.328 1.267 20 0 CDADMM CC[C@@]1(C)CN(c2cccnc2-c2nn[n-]n2)CCO1 ZINC001590489675 1173430778 /nfs/dbraw/zinc/43/07/78/1173430778.db2.gz DFJQPNNCKDOFDG-ZDUSSCGKSA-N -1 1 274.328 1.267 20 0 CDADMM CCC1(NC(=O)c2cccc(-c3nnn[n-]3)n2)CCC1 ZINC001590497917 1173437718 /nfs/dbraw/zinc/43/77/18/1173437718.db2.gz BBDYPJUCPIZATQ-UHFFFAOYSA-N -1 1 272.312 1.324 20 0 CDADMM CCC1(NC(=O)c2cccc(-c3nn[n-]n3)n2)CCC1 ZINC001590497917 1173437723 /nfs/dbraw/zinc/43/77/23/1173437723.db2.gz BBDYPJUCPIZATQ-UHFFFAOYSA-N -1 1 272.312 1.324 20 0 CDADMM CC[C@@H]1CCC[C@@H]1C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001590510727 1173444223 /nfs/dbraw/zinc/44/42/23/1173444223.db2.gz ZCDLRPQIANGAMM-SFYZADRCSA-N -1 1 275.316 1.355 20 0 CDADMM CCC[C@@H](O)CCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590559394 1173463537 /nfs/dbraw/zinc/46/35/37/1173463537.db2.gz FZIMDSAPXHWUJG-SECBINFHSA-N -1 1 295.368 1.209 20 0 CDADMM CCCC1(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001590564914 1173466768 /nfs/dbraw/zinc/46/67/68/1173466768.db2.gz CFLHAQKTDYGMJH-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM CCCC1(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001590564914 1173466775 /nfs/dbraw/zinc/46/67/75/1173466775.db2.gz CFLHAQKTDYGMJH-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM CCCn1nccc1CNc1n[nH]c(C)c1-c1nnn[n-]1 ZINC001590665019 1173484315 /nfs/dbraw/zinc/48/43/15/1173484315.db2.gz FRIUASXYIZTDEG-UHFFFAOYSA-N -1 1 287.331 1.117 20 0 CDADMM CCCn1nccc1CNc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001590665019 1173484322 /nfs/dbraw/zinc/48/43/22/1173484322.db2.gz FRIUASXYIZTDEG-UHFFFAOYSA-N -1 1 287.331 1.117 20 0 CDADMM CCN(C[C@@H]1CCCO1)c1cc(C)nc(-c2nnn[n-]2)c1 ZINC001590691040 1173493672 /nfs/dbraw/zinc/49/36/72/1173493672.db2.gz DKVLOERQMBVLCI-LBPRGKRZSA-N -1 1 288.355 1.575 20 0 CDADMM CCN(C[C@@H]1CCCO1)c1cc(C)nc(-c2nn[n-]n2)c1 ZINC001590691040 1173493673 /nfs/dbraw/zinc/49/36/73/1173493673.db2.gz DKVLOERQMBVLCI-LBPRGKRZSA-N -1 1 288.355 1.575 20 0 CDADMM CCN(c1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H]1CCOC1 ZINC001590725070 1173502131 /nfs/dbraw/zinc/50/21/31/1173502131.db2.gz XZPAWAJZRXBOKH-QMMMGPOBSA-N -1 1 294.746 1.530 20 0 CDADMM CCN(c1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H]1CCOC1 ZINC001590725070 1173502135 /nfs/dbraw/zinc/50/21/35/1173502135.db2.gz XZPAWAJZRXBOKH-QMMMGPOBSA-N -1 1 294.746 1.530 20 0 CDADMM CCOC1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001590796877 1173514372 /nfs/dbraw/zinc/51/43/72/1173514372.db2.gz RJQGRNQGSGDAFS-UHFFFAOYSA-N -1 1 286.748 1.202 20 0 CDADMM CCOc1ccccc1C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001590842534 1173523861 /nfs/dbraw/zinc/52/38/61/1173523861.db2.gz CBTCKOLZLHTYLI-UHFFFAOYSA-N -1 1 299.294 1.241 20 0 CDADMM CCS[C@@H]1CCC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590849943 1173526157 /nfs/dbraw/zinc/52/61/57/1173526157.db2.gz DFSSMGQLLWSWNH-DTWKUNHWSA-N -1 1 291.384 1.165 20 0 CDADMM CC[C@@H]1C[C@H]1COC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590860729 1173529887 /nfs/dbraw/zinc/52/98/87/1173529887.db2.gz XNFXBAKMEMGPHI-BDAKNGLRSA-N -1 1 276.296 1.971 20 0 CDADMM CC[C@@H]1C[C@H]1COC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590860729 1173529891 /nfs/dbraw/zinc/52/98/91/1173529891.db2.gz XNFXBAKMEMGPHI-BDAKNGLRSA-N -1 1 276.296 1.971 20 0 CDADMM CCc1nc(N[C@@H](C)CSC)cc(-c2nnn[n-]2)n1 ZINC001590916429 1173540619 /nfs/dbraw/zinc/54/06/19/1173540619.db2.gz HXFCBUQAXJVJOT-ZETCQYMHSA-N -1 1 279.373 1.383 20 0 CDADMM CCc1nc(N[C@@H](C)CSC)cc(-c2nn[n-]n2)n1 ZINC001590916429 1173540624 /nfs/dbraw/zinc/54/06/24/1173540624.db2.gz HXFCBUQAXJVJOT-ZETCQYMHSA-N -1 1 279.373 1.383 20 0 CDADMM CN(C(=O)[C@@H]1CC12CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001590975924 1173555231 /nfs/dbraw/zinc/55/52/31/1173555231.db2.gz IVEURBRGEWFGGV-NSHDSACASA-N -1 1 298.350 1.805 20 0 CDADMM CN(C(=O)[C@@H]1CC12CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001590975924 1173555236 /nfs/dbraw/zinc/55/52/36/1173555236.db2.gz IVEURBRGEWFGGV-NSHDSACASA-N -1 1 298.350 1.805 20 0 CDADMM CN(C(=O)[C@@H]1CC12CCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001590975523 1173555300 /nfs/dbraw/zinc/55/53/00/1173555300.db2.gz AELHJVUAMYUOLN-JTQLQIEISA-N -1 1 284.323 1.415 20 0 CDADMM CN(C(=O)[C@@H]1CC12CCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001590975523 1173555308 /nfs/dbraw/zinc/55/53/08/1173555308.db2.gz AELHJVUAMYUOLN-JTQLQIEISA-N -1 1 284.323 1.415 20 0 CDADMM CN(C(=O)C1CCC=CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590978059 1173556098 /nfs/dbraw/zinc/55/60/98/1173556098.db2.gz RXHBIWISQSAKMF-UHFFFAOYSA-N -1 1 298.350 1.971 20 0 CDADMM CN(C(=O)C1CCC=CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590978059 1173556103 /nfs/dbraw/zinc/55/61/03/1173556103.db2.gz RXHBIWISQSAKMF-UHFFFAOYSA-N -1 1 298.350 1.971 20 0 CDADMM CN(C[C@@H]1CC=CCC1)c1cncc(-c2nnn[n-]2)n1 ZINC001591054775 1173569012 /nfs/dbraw/zinc/56/90/12/1173569012.db2.gz PKAOCHVIVPWSAJ-SNVBAGLBSA-N -1 1 271.328 1.449 20 0 CDADMM CN(C[C@@H]1CC=CCC1)c1cncc(-c2nn[n-]n2)n1 ZINC001591054775 1173569015 /nfs/dbraw/zinc/56/90/15/1173569015.db2.gz PKAOCHVIVPWSAJ-SNVBAGLBSA-N -1 1 271.328 1.449 20 0 CDADMM CN(Cc1ccccc1)c1cc(-c2nnn[n-]2)ncn1 ZINC001591148705 1173580261 /nfs/dbraw/zinc/58/02/61/1173580261.db2.gz ZISMDUXAHLVGJP-UHFFFAOYSA-N -1 1 267.296 1.293 20 0 CDADMM CN(Cc1ccccc1)c1cc(-c2nn[n-]n2)ncn1 ZINC001591148705 1173580271 /nfs/dbraw/zinc/58/02/71/1173580271.db2.gz ZISMDUXAHLVGJP-UHFFFAOYSA-N -1 1 267.296 1.293 20 0 CDADMM COC(=O)c1cccc(Oc2cccc(-c3nnn[n-]3)n2)c1 ZINC001591302813 1173598370 /nfs/dbraw/zinc/59/83/70/1173598370.db2.gz DZJSNXIIJMXJFA-UHFFFAOYSA-N -1 1 297.274 1.841 20 0 CDADMM COC(=O)c1cccc(Oc2cccc(-c3nn[n-]n3)n2)c1 ZINC001591302813 1173598376 /nfs/dbraw/zinc/59/83/76/1173598376.db2.gz DZJSNXIIJMXJFA-UHFFFAOYSA-N -1 1 297.274 1.841 20 0 CDADMM CO[C@@H]1C[C@H](Nc2cc(C)nc(-c3nnn[n-]3)c2)C1(C)C ZINC001591350522 1173621729 /nfs/dbraw/zinc/62/17/29/1173621729.db2.gz SIULMUKVXGAIIE-NWDGAFQWSA-N -1 1 288.355 1.217 20 0 CDADMM CO[C@@H]1C[C@H](Nc2cc(C)nc(-c3nn[n-]n3)c2)C1(C)C ZINC001591350522 1173621733 /nfs/dbraw/zinc/62/17/33/1173621733.db2.gz SIULMUKVXGAIIE-NWDGAFQWSA-N -1 1 288.355 1.217 20 0 CDADMM CO[C@H]1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001591349999 1173622608 /nfs/dbraw/zinc/62/26/08/1173622608.db2.gz CKSHZEMQMBFUMP-YUMQZZPRSA-N -1 1 280.357 1.611 20 0 CDADMM CO[C@H]1CC[C@@H]1N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001591354161 1173625779 /nfs/dbraw/zinc/62/57/79/1173625779.db2.gz NDTPCZPVIOMQIK-YUMQZZPRSA-N -1 1 280.357 1.245 20 0 CDADMM COc1c(C)cccc1CNc1nccnc1-c1nnn[n-]1 ZINC001591478899 1173661406 /nfs/dbraw/zinc/66/14/06/1173661406.db2.gz HKQZOZSOCQHARN-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1c(C)cccc1CNc1nccnc1-c1nn[n-]n1 ZINC001591478899 1173661410 /nfs/dbraw/zinc/66/14/10/1173661410.db2.gz HKQZOZSOCQHARN-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1ncc(NC(=O)CC2CC2)cc1-c1nn[n-]n1 ZINC001591664570 1173678375 /nfs/dbraw/zinc/67/83/75/1173678375.db2.gz LMBGIEBZJGEMHV-UHFFFAOYSA-N -1 1 274.284 1.009 20 0 CDADMM C[C@H]1CN(Cc2csc(-c3nn[n-]n3)c2)CCO1 ZINC001591773109 1173699573 /nfs/dbraw/zinc/69/95/73/1173699573.db2.gz CFURCOZEVYGQFR-QMMMGPOBSA-N -1 1 265.342 1.149 20 0 CDADMM C[C@]12CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001591780294 1173701670 /nfs/dbraw/zinc/70/16/70/1173701670.db2.gz IGPZEDXFMDGFJY-BQVMBELUSA-N -1 1 297.366 1.529 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCC[C@@H]2O)c1 ZINC001591883519 1173734778 /nfs/dbraw/zinc/73/47/78/1173734778.db2.gz SLWYOCDZWHGCJZ-JQWIXIFHSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCC[C@@H]2O)c1 ZINC001591883519 1173734783 /nfs/dbraw/zinc/73/47/83/1173734783.db2.gz SLWYOCDZWHGCJZ-JQWIXIFHSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCC[C@@H](C)C2)n1 ZINC001591882654 1173735383 /nfs/dbraw/zinc/73/53/83/1173735383.db2.gz OOIZIGRXFHAGFI-MWLCHTKSSA-N -1 1 287.371 1.980 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCC[C@@H](C)C2)n1 ZINC001591882654 1173735389 /nfs/dbraw/zinc/73/53/89/1173735389.db2.gz OOIZIGRXFHAGFI-MWLCHTKSSA-N -1 1 287.371 1.980 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)c2cccc(O)c2)n1 ZINC001591901413 1173745029 /nfs/dbraw/zinc/74/50/29/1173745029.db2.gz XIBWZUAARRCGCE-VIFPVBQESA-N -1 1 297.322 1.844 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)c2cccc(O)c2)n1 ZINC001591901413 1173745040 /nfs/dbraw/zinc/74/50/40/1173745040.db2.gz XIBWZUAARRCGCE-VIFPVBQESA-N -1 1 297.322 1.844 20 0 CDADMM Cc1cc(COc2cnc(-c3nn[n-]n3)nc2)c(C)s1 ZINC001591972107 1173760993 /nfs/dbraw/zinc/76/09/93/1173760993.db2.gz BTGZQZJWCWEOEH-UHFFFAOYSA-N -1 1 288.336 1.914 20 0 CDADMM Cc1cc(CSc2ncncc2-c2nnn[n-]2)no1 ZINC001591974839 1173763533 /nfs/dbraw/zinc/76/35/33/1173763533.db2.gz YJBLLLBDPCFQLB-UHFFFAOYSA-N -1 1 275.297 1.245 20 0 CDADMM Cc1cc(CSc2ncncc2-c2nn[n-]n2)no1 ZINC001591974839 1173763539 /nfs/dbraw/zinc/76/35/39/1173763539.db2.gz YJBLLLBDPCFQLB-UHFFFAOYSA-N -1 1 275.297 1.245 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H]1CCC(C)(C)O1 ZINC001592115157 1173804610 /nfs/dbraw/zinc/80/46/10/1173804610.db2.gz ZLQRDIUXQBAOSA-JTQLQIEISA-N -1 1 288.355 1.940 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@@H]1CSC1(C)C ZINC001592112960 1173805465 /nfs/dbraw/zinc/80/54/65/1173805465.db2.gz CFOFAEHWPYISMG-SECBINFHSA-N -1 1 276.369 1.876 20 0 CDADMM Cc1ccc(CCCn2cc(-c3nn[n-]n3)nn2)cc1 ZINC001592150300 1173812629 /nfs/dbraw/zinc/81/26/29/1173812629.db2.gz UDDGJQPXDOWVIH-UHFFFAOYSA-N -1 1 269.312 1.399 20 0 CDADMM Cc1ccc(N2CCC[C@H]2C[C@H](C)O)nc1-c1nnn[n-]1 ZINC001592177197 1173823544 /nfs/dbraw/zinc/82/35/44/1173823544.db2.gz XBWYQUHBDRTDTI-QWRGUYRKSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1ccc(N2CCC[C@H]2C[C@H](C)O)nc1-c1nn[n-]n1 ZINC001592177197 1173823550 /nfs/dbraw/zinc/82/35/50/1173823550.db2.gz XBWYQUHBDRTDTI-QWRGUYRKSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1ccc(N2CC[C@H](C)[C@@H]2C)nc1-c1nnn[n-]1 ZINC001592174994 1173824187 /nfs/dbraw/zinc/82/41/87/1173824187.db2.gz ONQKNSGDLMSOLS-WPRPVWTQSA-N -1 1 258.329 1.805 20 0 CDADMM Cc1ccc(N2CC[C@H](C)[C@@H]2C)nc1-c1nn[n-]n1 ZINC001592174994 1173824198 /nfs/dbraw/zinc/82/41/98/1173824198.db2.gz ONQKNSGDLMSOLS-WPRPVWTQSA-N -1 1 258.329 1.805 20 0 CDADMM Cc1ccc(NC[C@H](CO)C(C)C)nc1-c1nnn[n-]1 ZINC001592183071 1173824962 /nfs/dbraw/zinc/82/49/62/1173824962.db2.gz LAWRLOJKEHNWSI-SNVBAGLBSA-N -1 1 276.344 1.247 20 0 CDADMM Cc1ccc(NC[C@H](CO)C(C)C)nc1-c1nn[n-]n1 ZINC001592183071 1173824965 /nfs/dbraw/zinc/82/49/65/1173824965.db2.gz LAWRLOJKEHNWSI-SNVBAGLBSA-N -1 1 276.344 1.247 20 0 CDADMM Cc1ccc(N2CCC[C@H]([C@H](C)O)C2)nc1-c1nnn[n-]1 ZINC001592177847 1173826715 /nfs/dbraw/zinc/82/67/15/1173826715.db2.gz LVPKDEQVUZTXTE-QWRGUYRKSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(N2CCC[C@H]([C@H](C)O)C2)nc1-c1nn[n-]n1 ZINC001592177847 1173826725 /nfs/dbraw/zinc/82/67/25/1173826725.db2.gz LVPKDEQVUZTXTE-QWRGUYRKSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cccnc1CCCNc1nccnc1-c1nnn[n-]1 ZINC001592262962 1173839100 /nfs/dbraw/zinc/83/91/00/1173839100.db2.gz GRGCZDLVNLALKU-UHFFFAOYSA-N -1 1 296.338 1.405 20 0 CDADMM Cc1cccnc1CCCNc1nccnc1-c1nn[n-]n1 ZINC001592262962 1173839103 /nfs/dbraw/zinc/83/91/03/1173839103.db2.gz GRGCZDLVNLALKU-UHFFFAOYSA-N -1 1 296.338 1.405 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)c1ncccc1C ZINC001592263678 1173839131 /nfs/dbraw/zinc/83/91/31/1173839131.db2.gz FFXKCPSPPVFQAW-UHFFFAOYSA-N -1 1 298.306 1.748 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)c1ncccc1C ZINC001592263678 1173839133 /nfs/dbraw/zinc/83/91/33/1173839133.db2.gz FFXKCPSPPVFQAW-UHFFFAOYSA-N -1 1 298.306 1.748 20 0 CDADMM Cc1cnc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)o1 ZINC001592293774 1173848953 /nfs/dbraw/zinc/84/89/53/1173848953.db2.gz NBTLODUZQPPFEJ-UHFFFAOYSA-N -1 1 274.240 1.317 20 0 CDADMM Cc1cnc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)o1 ZINC001592293774 1173848958 /nfs/dbraw/zinc/84/89/58/1173848958.db2.gz NBTLODUZQPPFEJ-UHFFFAOYSA-N -1 1 274.240 1.317 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@H](C)CC(C)(C)C)c1-c1nn[n-]n1 ZINC001592327666 1173853823 /nfs/dbraw/zinc/85/38/23/1173853823.db2.gz LLAYHTAUYHGPRJ-SSDOTTSWSA-N -1 1 291.359 1.909 20 0 CDADMM Cc1[nH]nc(NCc2ccnn2CC2CC2)c1-c1nnn[n-]1 ZINC001592330776 1173857969 /nfs/dbraw/zinc/85/79/69/1173857969.db2.gz LOHVDMXCGAFVAV-UHFFFAOYSA-N -1 1 299.342 1.117 20 0 CDADMM Cc1[nH]nc(NCc2ccnn2CC2CC2)c1-c1nn[n-]n1 ZINC001592330776 1173857971 /nfs/dbraw/zinc/85/79/71/1173857971.db2.gz LOHVDMXCGAFVAV-UHFFFAOYSA-N -1 1 299.342 1.117 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@H](c3ccco3)C2)n1 ZINC001592337651 1173859268 /nfs/dbraw/zinc/85/92/68/1173859268.db2.gz MYFDXUBYNAXFGX-JTQLQIEISA-N -1 1 297.322 1.552 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@H](c3ccco3)C2)n1 ZINC001592337651 1173859272 /nfs/dbraw/zinc/85/92/72/1173859272.db2.gz MYFDXUBYNAXFGX-JTQLQIEISA-N -1 1 297.322 1.552 20 0 CDADMM Cc1nc(CSc2cccnc2-c2nnn[n-]2)no1 ZINC001592362378 1173866848 /nfs/dbraw/zinc/86/68/48/1173866848.db2.gz HBQLBNOODJNCGR-UHFFFAOYSA-N -1 1 275.297 1.245 20 0 CDADMM Cc1nc(CSc2cccnc2-c2nn[n-]n2)no1 ZINC001592362378 1173866854 /nfs/dbraw/zinc/86/68/54/1173866854.db2.gz HBQLBNOODJNCGR-UHFFFAOYSA-N -1 1 275.297 1.245 20 0 CDADMM Cc1ncc([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)s1 ZINC001592408782 1173882722 /nfs/dbraw/zinc/88/27/22/1173882722.db2.gz KQBGNWVNJVIGCA-ZCFIWIBFSA-N -1 1 288.340 1.595 20 0 CDADMM Cc1ncc([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)s1 ZINC001592408782 1173882723 /nfs/dbraw/zinc/88/27/23/1173882723.db2.gz KQBGNWVNJVIGCA-ZCFIWIBFSA-N -1 1 288.340 1.595 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)Cc1cccnc1 ZINC001592495387 1173904095 /nfs/dbraw/zinc/90/40/95/1173904095.db2.gz MMESFSIBINJJGH-UHFFFAOYSA-N -1 1 298.306 1.435 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)Cc1cccnc1 ZINC001592495387 1173904099 /nfs/dbraw/zinc/90/40/99/1173904099.db2.gz MMESFSIBINJJGH-UHFFFAOYSA-N -1 1 298.306 1.435 20 0 CDADMM Cc1nsc(NCc2ccc(O)cc2)c1-c1nn[n-]n1 ZINC001592493143 1173905252 /nfs/dbraw/zinc/90/52/52/1173905252.db2.gz MVXLDEZDHPAQOG-UHFFFAOYSA-N -1 1 288.336 1.949 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@]12C[C@H]1CCCC2 ZINC001592499861 1173908435 /nfs/dbraw/zinc/90/84/35/1173908435.db2.gz SHFFPQLSXRFKOW-YMTOWFKASA-N -1 1 287.323 1.831 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@]12C[C@H]1CCCC2 ZINC001592499861 1173908440 /nfs/dbraw/zinc/90/84/40/1173908440.db2.gz SHFFPQLSXRFKOW-YMTOWFKASA-N -1 1 287.323 1.831 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@H]1CC[C@@H](C)O1 ZINC001592500724 1173908937 /nfs/dbraw/zinc/90/89/37/1173908937.db2.gz BNXSQEXJRMDLOB-VXNVDRBHSA-N -1 1 291.311 1.065 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@H]1CC[C@@H](C)O1 ZINC001592500724 1173908941 /nfs/dbraw/zinc/90/89/41/1173908941.db2.gz BNXSQEXJRMDLOB-VXNVDRBHSA-N -1 1 291.311 1.065 20 0 CDADMM Clc1ccc(CNc2n[nH]cc2-c2nnn[n-]2)nc1 ZINC001592528212 1173913391 /nfs/dbraw/zinc/91/33/91/1173913391.db2.gz COQJRVSYGOEQNN-UHFFFAOYSA-N -1 1 276.691 1.250 20 0 CDADMM Clc1ccc(CNc2n[nH]cc2-c2nn[n-]n2)nc1 ZINC001592528212 1173913393 /nfs/dbraw/zinc/91/33/93/1173913393.db2.gz COQJRVSYGOEQNN-UHFFFAOYSA-N -1 1 276.691 1.250 20 0 CDADMM FC1(F)CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001592629041 1173938662 /nfs/dbraw/zinc/93/86/62/1173938662.db2.gz ZSBHINSHSOSFJJ-MRVPVSSYSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(F)CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001592629041 1173938669 /nfs/dbraw/zinc/93/86/69/1173938669.db2.gz ZSBHINSHSOSFJJ-MRVPVSSYSA-N -1 1 295.297 1.894 20 0 CDADMM Fc1ccc(CCNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001592648941 1173951971 /nfs/dbraw/zinc/95/19/71/1173951971.db2.gz LQYJEHFOLPJUCB-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM Fc1ccc(CCNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001592648941 1173951977 /nfs/dbraw/zinc/95/19/77/1173951977.db2.gz LQYJEHFOLPJUCB-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM O=C(NC12CCC(CC1)C2)c1coc(-c2nnn[n-]2)c1 ZINC001592962310 1174005571 /nfs/dbraw/zinc/00/55/71/1174005571.db2.gz HXMYBPYFEZQOTM-UHFFFAOYSA-N -1 1 273.296 1.522 20 0 CDADMM O=C(NC12CCC(CC1)C2)c1coc(-c2nn[n-]n2)c1 ZINC001592962310 1174005577 /nfs/dbraw/zinc/00/55/77/1174005577.db2.gz HXMYBPYFEZQOTM-UHFFFAOYSA-N -1 1 273.296 1.522 20 0 CDADMM O=C(N1CCCc2nc(-c3nnn[n-]3)ccc21)C1(F)CC1 ZINC001592947096 1174007200 /nfs/dbraw/zinc/00/72/00/1174007200.db2.gz SOLQYKDIGKUFDJ-UHFFFAOYSA-N -1 1 288.286 1.043 20 0 CDADMM O=C(N1CCCc2nc(-c3nn[n-]n3)ccc21)C1(F)CC1 ZINC001592947096 1174007207 /nfs/dbraw/zinc/00/72/07/1174007207.db2.gz SOLQYKDIGKUFDJ-UHFFFAOYSA-N -1 1 288.286 1.043 20 0 CDADMM O=C(NCCC1CCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593061542 1174016828 /nfs/dbraw/zinc/01/68/28/1174016828.db2.gz OVGXQNAUBJXWJC-UHFFFAOYSA-N -1 1 272.312 1.182 20 0 CDADMM O=C(NCCC1CCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593061542 1174016833 /nfs/dbraw/zinc/01/68/33/1174016833.db2.gz OVGXQNAUBJXWJC-UHFFFAOYSA-N -1 1 272.312 1.182 20 0 CDADMM O=C(NCCCC1CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593067302 1174019872 /nfs/dbraw/zinc/01/98/72/1174019872.db2.gz ZVHXVTPFRZKYAE-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM O=C(NCCCC1CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593067302 1174019877 /nfs/dbraw/zinc/01/98/77/1174019877.db2.gz ZVHXVTPFRZKYAE-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)c1ccc(-c2nnn[n-]2)o1 ZINC001593065392 1174019943 /nfs/dbraw/zinc/01/99/43/1174019943.db2.gz RICYNQWVNDZKQJ-IVZWLZJFSA-N -1 1 287.323 1.626 20 0 CDADMM O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)c1ccc(-c2nn[n-]n2)o1 ZINC001593065392 1174019952 /nfs/dbraw/zinc/01/99/52/1174019952.db2.gz RICYNQWVNDZKQJ-IVZWLZJFSA-N -1 1 287.323 1.626 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC[C@@H](CF)C1 ZINC001593244449 1174041334 /nfs/dbraw/zinc/04/13/34/1174041334.db2.gz XSQPYAHPOKTQNW-QMMMGPOBSA-N -1 1 291.290 1.085 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC[C@@H](CF)C1 ZINC001593244449 1174041342 /nfs/dbraw/zinc/04/13/42/1174041342.db2.gz XSQPYAHPOKTQNW-QMMMGPOBSA-N -1 1 291.290 1.085 20 0 CDADMM O=C(Nc1cnoc1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593262698 1174042818 /nfs/dbraw/zinc/04/28/18/1174042818.db2.gz OWQVBRUFTKSCQM-UHFFFAOYSA-N -1 1 295.262 1.588 20 0 CDADMM O=C(OC1CCSCC1)c1coc(-c2nnn[n-]2)c1 ZINC001593280768 1174048300 /nfs/dbraw/zinc/04/83/00/1174048300.db2.gz MIVFNKIDASHAEI-UHFFFAOYSA-N -1 1 280.309 1.512 20 0 CDADMM O=C(OC1CCSCC1)c1coc(-c2nn[n-]n2)c1 ZINC001593280768 1174048306 /nfs/dbraw/zinc/04/83/06/1174048306.db2.gz MIVFNKIDASHAEI-UHFFFAOYSA-N -1 1 280.309 1.512 20 0 CDADMM O=C(OCCCC1CCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593288100 1174053969 /nfs/dbraw/zinc/05/39/69/1174053969.db2.gz UCWOQFDANURVIB-UHFFFAOYSA-N -1 1 287.323 1.999 20 0 CDADMM O=C(OCCCC1CCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593288100 1174053978 /nfs/dbraw/zinc/05/39/78/1174053978.db2.gz UCWOQFDANURVIB-UHFFFAOYSA-N -1 1 287.323 1.999 20 0 CDADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)C1CCC1 ZINC001593306698 1174059465 /nfs/dbraw/zinc/05/94/65/1174059465.db2.gz DTOPCFXMRPMEMF-UHFFFAOYSA-N -1 1 265.298 1.167 20 0 CDADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)C1CCC1 ZINC001593306698 1174059472 /nfs/dbraw/zinc/05/94/72/1174059472.db2.gz DTOPCFXMRPMEMF-UHFFFAOYSA-N -1 1 265.298 1.167 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@H](c2ccco2)C1 ZINC001593367102 1174071181 /nfs/dbraw/zinc/07/11/81/1174071181.db2.gz IEWPSZIERLZFSX-VIFPVBQESA-N -1 1 299.290 1.682 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@H](c2ccco2)C1 ZINC001593367102 1174071188 /nfs/dbraw/zinc/07/11/88/1174071188.db2.gz IEWPSZIERLZFSX-VIFPVBQESA-N -1 1 299.290 1.682 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@@]2(CC2(F)F)C1 ZINC001593368192 1174072115 /nfs/dbraw/zinc/07/21/15/1174072115.db2.gz VTPFWOZYICJATP-LLVKDONJSA-N -1 1 295.249 1.331 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@@]2(CC2(F)F)C1 ZINC001593368192 1174072119 /nfs/dbraw/zinc/07/21/19/1174072119.db2.gz VTPFWOZYICJATP-LLVKDONJSA-N -1 1 295.249 1.331 20 0 CDADMM O=c1[nH]nc(Cl)cc1Oc1cccnc1-c1nnn[n-]1 ZINC001593489899 1174088001 /nfs/dbraw/zinc/08/80/01/1174088001.db2.gz NLEODRDQWFHHMI-UHFFFAOYSA-N -1 1 291.658 1.203 20 0 CDADMM O=c1[nH]nc(Cl)cc1Oc1cccnc1-c1nn[n-]n1 ZINC001593489899 1174088006 /nfs/dbraw/zinc/08/80/06/1174088006.db2.gz NLEODRDQWFHHMI-UHFFFAOYSA-N -1 1 291.658 1.203 20 0 CDADMM OCCCCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001593531328 1174094230 /nfs/dbraw/zinc/09/42/30/1174094230.db2.gz JDYWPMALNXFBPX-UHFFFAOYSA-N -1 1 274.737 1.161 20 0 CDADMM OCCCCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001593531328 1174094238 /nfs/dbraw/zinc/09/42/38/1174094238.db2.gz JDYWPMALNXFBPX-UHFFFAOYSA-N -1 1 274.737 1.161 20 0 CDADMM c1c(SC2COC2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543477 1174111489 /nfs/dbraw/zinc/11/14/89/1174111489.db2.gz QPENNPRRQFOLBR-UHFFFAOYSA-N -1 1 276.325 1.025 20 0 CDADMM c1c(SC2COC2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543477 1174111491 /nfs/dbraw/zinc/11/14/91/1174111491.db2.gz QPENNPRRQFOLBR-UHFFFAOYSA-N -1 1 276.325 1.025 20 0 CDADMM c1cc(-c2nnn[n-]2)ncc1Cc1nc([C@@H]2CCCO2)no1 ZINC001593551815 1174125280 /nfs/dbraw/zinc/12/52/80/1174125280.db2.gz QPXLGQLWFYWCDO-JTQLQIEISA-N -1 1 299.294 1.087 20 0 CDADMM c1cc(-c2nn[n-]n2)ncc1Cc1nc([C@@H]2CCCO2)no1 ZINC001593551815 1174125283 /nfs/dbraw/zinc/12/52/83/1174125283.db2.gz QPXLGQLWFYWCDO-JTQLQIEISA-N -1 1 299.294 1.087 20 0 CDADMM c1cc(N2C[C@@H](C3CC3)[C@@H]2C2CC2)nc(-c2nn[n-]n2)n1 ZINC001593556970 1174130594 /nfs/dbraw/zinc/13/05/94/1174130594.db2.gz ADJGZDKUFWPJNF-JQWIXIFHSA-N -1 1 283.339 1.282 20 0 CDADMM c1cc(NC2CCCCCC2)cc(-c2nnn[n-]2)n1 ZINC001593557944 1174133351 /nfs/dbraw/zinc/13/33/51/1174133351.db2.gz DIHDYMSHBWCMOV-UHFFFAOYSA-N -1 1 258.329 1.818 20 0 CDADMM c1cc(NC2CCCCCC2)cc(-c2nn[n-]n2)n1 ZINC001593557944 1174133357 /nfs/dbraw/zinc/13/33/57/1174133357.db2.gz DIHDYMSHBWCMOV-UHFFFAOYSA-N -1 1 258.329 1.818 20 0 CDADMM c1cc(N[C@H](C2CC2)C2CCC2)cc(-c2nnn[n-]2)n1 ZINC001593558689 1174134269 /nfs/dbraw/zinc/13/42/69/1174134269.db2.gz OUQNOPOAPLJZBQ-ZDUSSCGKSA-N -1 1 270.340 1.674 20 0 CDADMM c1cc(N[C@H](C2CC2)C2CCC2)cc(-c2nn[n-]n2)n1 ZINC001593558689 1174134271 /nfs/dbraw/zinc/13/42/71/1174134271.db2.gz OUQNOPOAPLJZBQ-ZDUSSCGKSA-N -1 1 270.340 1.674 20 0 CDADMM c1cc(N[C@@H]2C[C@@H]3CCC[C@H]23)cc(-c2nnn[n-]2)n1 ZINC001593558161 1174134417 /nfs/dbraw/zinc/13/44/17/1174134417.db2.gz KPFAUBZAJAWFKM-INTQDDNPSA-N -1 1 256.313 1.284 20 0 CDADMM c1cc(N[C@@H]2C[C@@H]3CCC[C@H]23)cc(-c2nn[n-]n2)n1 ZINC001593558161 1174134420 /nfs/dbraw/zinc/13/44/20/1174134420.db2.gz KPFAUBZAJAWFKM-INTQDDNPSA-N -1 1 256.313 1.284 20 0 CDADMM c1ccc(COCCNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001593574690 1174145765 /nfs/dbraw/zinc/14/57/65/1174145765.db2.gz ZVOWWWMQWUHJLM-UHFFFAOYSA-N -1 1 297.322 1.285 20 0 CDADMM c1ccc(COCCNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001593574690 1174145770 /nfs/dbraw/zinc/14/57/70/1174145770.db2.gz ZVOWWWMQWUHJLM-UHFFFAOYSA-N -1 1 297.322 1.285 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@H]2CC3(CCC3)CO2)n1 ZINC001593583031 1174151527 /nfs/dbraw/zinc/15/15/27/1174151527.db2.gz KZCQFGCPDCLHRL-SECBINFHSA-N -1 1 287.327 1.028 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@H]2CC3(CCC3)CO2)n1 ZINC001593583031 1174151533 /nfs/dbraw/zinc/15/15/33/1174151533.db2.gz KZCQFGCPDCLHRL-SECBINFHSA-N -1 1 287.327 1.028 20 0 CDADMM c1cnc2c(c1)CCC[C@@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC001593587095 1174152308 /nfs/dbraw/zinc/15/23/08/1174152308.db2.gz CSZZCFVEZDWJEC-JTQLQIEISA-N -1 1 294.322 1.541 20 0 CDADMM c1cnc2c(c1)CCC[C@@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC001593587095 1174152312 /nfs/dbraw/zinc/15/23/12/1174152312.db2.gz CSZZCFVEZDWJEC-JTQLQIEISA-N -1 1 294.322 1.541 20 0 CDADMM c1cn(CCCSc2cccnc2-c2nn[n-]n2)cn1 ZINC001593585687 1174153235 /nfs/dbraw/zinc/15/32/35/1174153235.db2.gz ZGUBDXMDEANCOS-UHFFFAOYSA-N -1 1 287.352 1.641 20 0 CDADMM c1noc(C2CC2)c1COc1cnc(-c2nn[n-]n2)nc1 ZINC001593590482 1174157977 /nfs/dbraw/zinc/15/79/77/1174157977.db2.gz UWWKAWTXADAKCD-UHFFFAOYSA-N -1 1 285.267 1.101 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(N2CCCCCCC2)n1 ZINC001593592455 1174159621 /nfs/dbraw/zinc/15/96/21/1174159621.db2.gz XULGXVOWTFVYKK-UHFFFAOYSA-N -1 1 259.317 1.427 20 0 CDADMM c1sc(CSCC[C@H]2CCOC2)nc1-c1nnn[n-]1 ZINC001593595437 1174164621 /nfs/dbraw/zinc/16/46/21/1174164621.db2.gz UCUWLAFLCWHULR-MRVPVSSYSA-N -1 1 297.409 1.983 20 0 CDADMM c1sc(CSCC[C@H]2CCOC2)nc1-c1nn[n-]n1 ZINC001593595437 1174164625 /nfs/dbraw/zinc/16/46/25/1174164625.db2.gz UCUWLAFLCWHULR-MRVPVSSYSA-N -1 1 297.409 1.983 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@@H]1N[C@H](c1ncc[nH]1)c1cccnc1 ZINC001595171666 1174196978 /nfs/dbraw/zinc/19/69/78/1174196978.db2.gz NHMPQHCHVKXBGA-AGIUHOORSA-N -1 1 286.335 1.737 20 0 CDADMM CCC[C@H](O)CC(=O)Nc1cc(C(=O)OCC)[nH]n1 ZINC001598370143 1174314113 /nfs/dbraw/zinc/31/41/13/1174314113.db2.gz XJTRUWNIZMFFAG-QMMMGPOBSA-N -1 1 269.301 1.076 20 0 CDADMM Cc1cc(C(=O)[O-])nc(N2C[C@H](C)N(C)C[C@@H]2C)n1 ZINC001600126888 1174368805 /nfs/dbraw/zinc/36/88/05/1174368805.db2.gz IBQUUAODUQFMGB-UWVGGRQHSA-N -1 1 264.329 1.012 20 0 CDADMM Cc1ccc(C(=O)NC(C)(C)c2c[nH]nn2)cc1C(=O)[O-] ZINC001600337120 1174447685 /nfs/dbraw/zinc/44/76/85/1174447685.db2.gz HPUPISLPPLZFQL-UHFFFAOYSA-N -1 1 288.307 1.476 20 0 CDADMM O=[N+]([O-])c1cccc(Oc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000095144906 1174497099 /nfs/dbraw/zinc/49/70/99/1174497099.db2.gz XTILJNYXLOTJPU-UHFFFAOYSA-N -1 1 284.235 1.962 20 0 CDADMM O=[N+]([O-])c1cccc(Oc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000095144906 1174497105 /nfs/dbraw/zinc/49/71/05/1174497105.db2.gz XTILJNYXLOTJPU-UHFFFAOYSA-N -1 1 284.235 1.962 20 0 CDADMM c1ccc(C2CN(c3cccc(-c4nnn[n-]4)n3)C2)nc1 ZINC000095251473 1174520077 /nfs/dbraw/zinc/52/00/77/1174520077.db2.gz JIZZZKLLABTXLW-UHFFFAOYSA-N -1 1 279.307 1.261 20 0 CDADMM c1ccc(C2CN(c3cccc(-c4nn[n-]n4)n3)C2)nc1 ZINC000095251473 1174520083 /nfs/dbraw/zinc/52/00/83/1174520083.db2.gz JIZZZKLLABTXLW-UHFFFAOYSA-N -1 1 279.307 1.261 20 0 CDADMM Cc1nc(CN2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)n[nH]1 ZINC001600671715 1174557784 /nfs/dbraw/zinc/55/77/84/1174557784.db2.gz WLHVSTGDJRHDFX-MRVPVSSYSA-N -1 1 293.352 1.257 20 0 CDADMM Cc1ncc(CNCc2ccc(C(=O)[O-])n2C)s1 ZINC001600737668 1174585538 /nfs/dbraw/zinc/58/55/38/1174585538.db2.gz VOTNTDQFXYEJKO-UHFFFAOYSA-N -1 1 265.338 1.778 20 0 CDADMM Cc1nnc(CNC[C@H](CC(C)C)C(=O)[O-])s1 ZINC001600794687 1174601975 /nfs/dbraw/zinc/60/19/75/1174601975.db2.gz ANOGEJZKDADVCB-VIFPVBQESA-N -1 1 257.359 1.683 20 0 CDADMM Cc1nn(C)c(CN[C@@H](CC(F)(F)F)C(=O)[O-])c1Cl ZINC001600772636 1174603048 /nfs/dbraw/zinc/60/30/48/1174603048.db2.gz ZMSLEQPJUUERCU-LURJTMIESA-N -1 1 299.680 1.877 20 0 CDADMM Cc1oc(CN(C)CCO[C@H]2CCOC2)cc1C(=O)[O-] ZINC001600842320 1174637937 /nfs/dbraw/zinc/63/79/37/1174637937.db2.gz ISQCNHAMBZBBPL-NSHDSACASA-N -1 1 283.324 1.524 20 0 CDADMM Cn1cc(CN2CCc3cc[nH]c(=O)c3C2)cc1C(=O)[O-] ZINC001600953706 1174678380 /nfs/dbraw/zinc/67/83/80/1174678380.db2.gz WMBAMXMKGOMRIA-UHFFFAOYSA-N -1 1 287.319 1.382 20 0 CDADMM Cn1nccc1[C@@H](NCc1cccc(F)c1N)C(=O)[O-] ZINC001601034400 1174709676 /nfs/dbraw/zinc/70/96/76/1174709676.db2.gz IIONPRALBOFRFQ-GFCCVEGCSA-N -1 1 278.287 1.057 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)c3cnsn3)[nH]c21 ZINC001601630700 1174916866 /nfs/dbraw/zinc/91/68/66/1174916866.db2.gz IZGBNGOBDQMWEX-UHFFFAOYSA-N -1 1 289.276 1.365 20 0 CDADMM O=C([O-])C1([C@@]2(O)CCCN(Cc3cscn3)C2)CCC1 ZINC001601706558 1174959353 /nfs/dbraw/zinc/95/93/53/1174959353.db2.gz SYRUNLUGGOPTBC-CQSZACIVSA-N -1 1 296.392 1.725 20 0 CDADMM O=C([O-])[C@@H]1[C@H](O)CCCN1CCOC1CCCCCC1 ZINC001601754279 1174987253 /nfs/dbraw/zinc/98/72/53/1174987253.db2.gz NGZWBAPYGBZMJY-KGLIPLIRSA-N -1 1 285.384 1.636 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](O)C[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC001601766431 1174994902 /nfs/dbraw/zinc/99/49/02/1174994902.db2.gz BWUKFJTWTSVWJU-KGLIPLIRSA-N -1 1 289.331 1.230 20 0 CDADMM 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264.325 1.737 20 0 CDADMM O=C(Nc1cn(CCF)cn1)c1cc([O-])cnc1Cl ZINC001195299045 924536026 /nfs/dbraw/zinc/53/60/26/924536026.db2.gz GCQFAYNFCORZPM-UHFFFAOYSA-N -1 1 284.678 1.859 20 0 CDADMM O=C(NCc1cn[nH]c1)c1cc([O-])cnc1Cl ZINC001195312434 924544809 /nfs/dbraw/zinc/54/48/09/924544809.db2.gz GFWFIECJGIGPCH-UHFFFAOYSA-N -1 1 252.661 1.094 20 0 CDADMM Cc1ccc([O-])c(C(=O)Nc2[nH]nc3cccnc32)n1 ZINC001195319822 924551142 /nfs/dbraw/zinc/55/11/42/924551142.db2.gz UOFSVBXMQHYFHX-UHFFFAOYSA-N -1 1 269.264 1.619 20 0 CDADMM CCOC(=O)NC(=S)[N-]c1ccc2c(c1)CC(=O)C2 ZINC001195493721 924627711 /nfs/dbraw/zinc/62/77/11/924627711.db2.gz AQZJPMPRHFPZIL-UHFFFAOYSA-N -1 1 278.333 1.797 20 0 CDADMM O=C(NC1(C(F)(F)F)CC1)c1c[nH]c(=S)[n-]c1=O ZINC001196027392 924796462 /nfs/dbraw/zinc/79/64/62/924796462.db2.gz WHXIHPYQWOQCNV-UHFFFAOYSA-N -1 1 279.243 1.296 20 0 CDADMM O=C(N[C@H]1CC=CCC1)c1c[nH]c(=S)[n-]c1=O ZINC001196027160 924797365 /nfs/dbraw/zinc/79/73/65/924797365.db2.gz SFBBVZWJFDPMEJ-ZETCQYMHSA-N -1 1 251.311 1.309 20 0 CDADMM CN1CC2(C1)CN(C(=O)c1cc(Cl)c(F)cc1[O-])C2 ZINC001196466398 924904686 /nfs/dbraw/zinc/90/46/86/924904686.db2.gz IMKUOKNGKZDEND-UHFFFAOYSA-N -1 1 284.718 1.572 20 0 CDADMM O=C(Cn1cnnn1)Nc1cccc(C(F)(F)F)c1[O-] ZINC001142138858 936978948 /nfs/dbraw/zinc/97/89/48/936978948.db2.gz CDOFECVDOCWXNG-UHFFFAOYSA-N -1 1 287.201 1.036 20 0 CDADMM O=C([O-])C[C@@H](CNCc1nccs1)C(F)(F)F ZINC001119550888 925383482 /nfs/dbraw/zinc/38/34/82/925383482.db2.gz YSVTYZAARBYALB-LURJTMIESA-N -1 1 268.260 1.886 20 0 CDADMM Cc1ccc(S(=O)(=O)[N-]c2ncncc2Cl)cn1 ZINC001198269716 925394077 /nfs/dbraw/zinc/39/40/77/925394077.db2.gz ADDRNLGAAVNEJZ-UHFFFAOYSA-N -1 1 284.728 1.634 20 0 CDADMM Cc1ncc(S(=O)(=O)[N-]c2ccc(CO)cc2F)n1C ZINC001198391967 925421743 /nfs/dbraw/zinc/42/17/43/925421743.db2.gz MXYWLDIQEPCHQN-UHFFFAOYSA-N -1 1 299.327 1.161 20 0 CDADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)C(=O)c1ccco1 ZINC001142278768 936999558 /nfs/dbraw/zinc/99/95/58/936999558.db2.gz ILRKGPCOTBPUQR-UHFFFAOYSA-N -1 1 297.270 1.992 20 0 CDADMM CCOC(=O)c1[n-]cnc1NC(=O)C(=O)c1ccco1 ZINC001142279195 936999780 /nfs/dbraw/zinc/99/97/80/936999780.db2.gz PSXHCEXLLOCMIS-UHFFFAOYSA-N -1 1 277.236 1.001 20 0 CDADMM Cc1ccnc(F)c1C(=O)NCCCC[P@](=O)([O-])O ZINC001199716643 925825738 /nfs/dbraw/zinc/82/57/38/925825738.db2.gz VONRYVYEDPSYBE-UHFFFAOYSA-N -1 1 290.231 1.217 20 0 CDADMM CCCC(=O)N(C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001487692894 925997327 /nfs/dbraw/zinc/99/73/27/925997327.db2.gz BSELSTIWJONCBP-JTQLQIEISA-N -1 1 279.340 1.164 20 0 CDADMM O=C(Nc1cc(CO)ccn1)c1ccc([O-])c(F)c1 ZINC001142710889 937058009 /nfs/dbraw/zinc/05/80/09/937058009.db2.gz TZSOZPBCNHVGAG-UHFFFAOYSA-N -1 1 262.240 1.671 20 0 CDADMM CC(=O)CCC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001142745728 937061439 /nfs/dbraw/zinc/06/14/39/937061439.db2.gz WTFNGDQAZSNAQY-UHFFFAOYSA-N -1 1 273.292 1.886 20 0 CDADMM Cn1[n-]nnc1=NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201469984 926301365 /nfs/dbraw/zinc/30/13/65/926301365.db2.gz 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O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccoc1 ZINC000823294822 931291384 /nfs/dbraw/zinc/29/13/84/931291384.db2.gz SMVUQVUCSUAYAX-UHFFFAOYSA-N -1 1 271.236 1.418 20 0 CDADMM CN1CCO[C@H]2CN(Cc3c(F)cc([O-])cc3F)C[C@@H]21 ZINC001275125608 931669941 /nfs/dbraw/zinc/66/99/41/931669941.db2.gz QPGWWXXDPLLGCZ-KBPBESRZSA-N -1 1 284.306 1.185 20 0 CDADMM NC(=O)C12CC(NC(=O)c3c([O-])cccc3Cl)(C1)C2 ZINC001275466607 931809833 /nfs/dbraw/zinc/80/98/33/931809833.db2.gz MEZXHHDILNYUAX-UHFFFAOYSA-N -1 1 280.711 1.183 20 0 CDADMM COC(=O)C1CN(Cc2c(F)cc([O-])cc2F)C1 ZINC001144545094 931882427 /nfs/dbraw/zinc/88/24/27/931882427.db2.gz RUEDOEFEUABOPS-UHFFFAOYSA-N -1 1 257.236 1.275 20 0 CDADMM NC(=O)[C@@H]1CCCN1Cc1c(F)cc([O-])cc1F ZINC001144541437 931888189 /nfs/dbraw/zinc/88/81/89/931888189.db2.gz FPSSTJCFWKSHCI-NSHDSACASA-N -1 1 256.252 1.120 20 0 CDADMM Cc1ccccc1[C@H](O)C(=O)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001144543204 931891192 /nfs/dbraw/zinc/89/11/92/931891192.db2.gz PGVQUFSEBZFXEH-JTQLQIEISA-N -1 1 299.290 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175180331 /nfs/dbraw/zinc/18/03/31/175180331.db2.gz SNMZKSPSKDNTRJ-UHFFFAOYSA-N -1 1 296.124 1.808 20 0 CDADMM CC(=O)CCCC(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001588791659 1173108470 /nfs/dbraw/zinc/10/84/70/1173108470.db2.gz GBBMNRAHHQISNI-UHFFFAOYSA-N -1 1 289.295 1.064 20 0 CDADMM CC(=O)CCCC(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001588791659 1173108473 /nfs/dbraw/zinc/10/84/73/1173108473.db2.gz GBBMNRAHHQISNI-UHFFFAOYSA-N -1 1 289.295 1.064 20 0 CDADMM CC(C)CSCCCNc1cncc(-c2nnn[n-]2)n1 ZINC001589653565 1173166143 /nfs/dbraw/zinc/16/61/43/1173166143.db2.gz XZCDLZDZTWXQAI-UHFFFAOYSA-N -1 1 293.400 1.848 20 0 CDADMM CC(C)CSCCCNc1cncc(-c2nn[n-]n2)n1 ZINC001589653565 1173166149 /nfs/dbraw/zinc/16/61/49/1173166149.db2.gz XZCDLZDZTWXQAI-UHFFFAOYSA-N -1 1 293.400 1.848 20 0 CDADMM Cc1nc(CNC(=O)c2ncccc2[O-])sc1C ZINC000173304779 261159756 /nfs/dbraw/zinc/15/97/56/261159756.db2.gz XHKOGKVHGDYFTI-UHFFFAOYSA-N -1 1 263.322 1.791 20 0 CDADMM C[C@H](CC(C)(C)C)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001589797296 1173185245 /nfs/dbraw/zinc/18/52/45/1173185245.db2.gz ZRBNRQGGLNPESW-MRVPVSSYSA-N -1 1 261.333 1.893 20 0 CDADMM C[C@H](CC(C)(C)C)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001589797296 1173185246 /nfs/dbraw/zinc/18/52/46/1173185246.db2.gz ZRBNRQGGLNPESW-MRVPVSSYSA-N -1 1 261.333 1.893 20 0 CDADMM O=C(N[C@H](C1CC1)[C@H]1CCCCO1)c1ncccc1[O-] ZINC000655224794 423942312 /nfs/dbraw/zinc/94/23/12/423942312.db2.gz XDPDMHURQMPASF-CHWSQXEVSA-N -1 1 276.336 1.865 20 0 CDADMM O=C(NCc1ccc(=O)[nH]c1)c1cc(F)ccc1[O-] ZINC000094156315 265220643 /nfs/dbraw/zinc/22/06/43/265220643.db2.gz NWDFNCKYHVVFNU-UHFFFAOYSA-N -1 1 262.240 1.150 20 0 CDADMM CCC[C@@H](NC(=O)c1cccc(C)c1O)c1nn[n-]n1 ZINC000095287810 265301149 /nfs/dbraw/zinc/30/11/49/265301149.db2.gz ZFMXMURZDAIKTG-SNVBAGLBSA-N -1 1 275.312 1.485 20 0 CDADMM Cc1cn2nc([N-]c3cnn(CCO)c3)sc2n1 ZINC000048962942 424341379 /nfs/dbraw/zinc/34/13/79/424341379.db2.gz YBCXDHOIZAXSCX-UHFFFAOYSA-N -1 1 264.314 1.032 20 0 CDADMM CC(=O)N[C@H]1CCCN(Cc2cc(C(=O)[O-])sc2C)C1 ZINC000652389930 424357089 /nfs/dbraw/zinc/35/70/89/424357089.db2.gz PAJVYNIGKUIGCI-LBPRGKRZSA-N -1 1 296.392 1.855 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cccc2n[nH]cc21 ZINC000653315427 424561824 /nfs/dbraw/zinc/56/18/24/424561824.db2.gz BWTMFGBWMOAHFK-PRHODGIISA-N -1 1 273.292 1.641 20 0 CDADMM CC1(C)CCCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001590097172 1173258130 /nfs/dbraw/zinc/25/81/30/1173258130.db2.gz PHCOESJRIPBDOL-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM C[C@@]1(CCNc2cc(-c3nn[n-]n3)ncn2)C[C@]1(F)Cl ZINC001590127646 1173264991 /nfs/dbraw/zinc/26/49/91/1173264991.db2.gz QKFQSXUQAKSITI-GHMZBOCLSA-N -1 1 297.725 1.773 20 0 CDADMM C[C@@]1(NC(=O)c2coc(-c3nn[n-]n3)c2)CC=CCC1 ZINC001590146230 1173273044 /nfs/dbraw/zinc/27/30/44/1173273044.db2.gz RZWKYEGJGKDGPB-CYBMUJFWSA-N -1 1 273.296 1.688 20 0 CDADMM C[C@@H]1CC(F)(F)CCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001590193500 1173285759 /nfs/dbraw/zinc/28/57/59/1173285759.db2.gz QMERPCOTIAQNEV-SSDOTTSWSA-N -1 1 281.270 1.281 20 0 CDADMM C[C@@H]1CC(F)(F)CCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001590193500 1173285767 /nfs/dbraw/zinc/28/57/67/1173285767.db2.gz QMERPCOTIAQNEV-SSDOTTSWSA-N -1 1 281.270 1.281 20 0 CDADMM C[C@@H]1CN(C[C@@H]2CCC3(CCCC3)O2)C[C@@H](C(=O)[O-])O1 ZINC000530168292 271125159 /nfs/dbraw/zinc/12/51/59/271125159.db2.gz DFGPVEJFNDYOLE-AGIUHOORSA-N -1 1 283.368 1.652 20 0 CDADMM C[C@H]1C[C@@H]1Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001590220371 1173300940 /nfs/dbraw/zinc/30/09/40/1173300940.db2.gz NJTFDGRCOMAKCS-WCBMZHEXSA-N -1 1 271.324 1.173 20 0 CDADMM C[C@@H]1CCCCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590258285 1173323116 /nfs/dbraw/zinc/32/31/16/1173323116.db2.gz BEHWFTUYHPVUCR-MRVPVSSYSA-N -1 1 261.285 1.474 20 0 CDADMM C[C@@H]1CCCCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590258285 1173323123 /nfs/dbraw/zinc/32/31/23/1173323123.db2.gz BEHWFTUYHPVUCR-MRVPVSSYSA-N -1 1 261.285 1.474 20 0 CDADMM CC[C@H](C)[C@H](NC(=O)CN1CCC(C)CC1)C(=O)[O-] ZINC000033440218 287720096 /nfs/dbraw/zinc/72/00/96/287720096.db2.gz SIJMUFOLGAHNBA-AAEUAGOBSA-N -1 1 270.373 1.334 20 0 CDADMM CCC(C)(C)CC(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001590375564 1173380603 /nfs/dbraw/zinc/38/06/03/1173380603.db2.gz OCALLFXCLGQLFM-UHFFFAOYSA-N -1 1 291.359 1.673 20 0 CDADMM CCC(C)(C)CC(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001590375564 1173380610 /nfs/dbraw/zinc/38/06/10/1173380610.db2.gz OCALLFXCLGQLFM-UHFFFAOYSA-N -1 1 291.359 1.673 20 0 CDADMM CC[C@](C)(COC(=O)c1sccc1-c1nn[n-]n1)OC ZINC001590382009 1173383075 /nfs/dbraw/zinc/38/30/75/1173383075.db2.gz JZUACSVFFJGFOA-GFCCVEGCSA-N -1 1 296.352 1.900 20 0 CDADMM C[C@@H]1CN(C(=O)c2cc(F)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000280528049 288018898 /nfs/dbraw/zinc/01/88/98/288018898.db2.gz MIGMZBPNMSRAQY-MEBBXXQBSA-N -1 1 295.310 1.551 20 0 CDADMM CC1(C)[C@H](NC(=O)c2ncccc2[O-])[C@@H]2CCCO[C@H]21 ZINC000374127937 278443311 /nfs/dbraw/zinc/44/33/11/278443311.db2.gz BXCFMNRHGBHPHT-ZWKOPEQDSA-N -1 1 276.336 1.721 20 0 CDADMM COCCn1cc(NC(=O)c2ccccc2[O-])cn1 ZINC000048182559 279156914 /nfs/dbraw/zinc/15/69/14/279156914.db2.gz RYKWDDUSZKAMNE-UHFFFAOYSA-N -1 1 261.281 1.487 20 0 CDADMM O=C(NCCCOC[C@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000081959852 279246895 /nfs/dbraw/zinc/24/68/95/279246895.db2.gz KHGKTTWQSYSTSD-LLVKDONJSA-N -1 1 297.326 1.704 20 0 CDADMM CC(C)N(C(=O)CN(C)CCC(=O)[O-])C1CCCC1 ZINC000262643260 279272232 /nfs/dbraw/zinc/27/22/32/279272232.db2.gz JNUYQUSCCMHOJJ-UHFFFAOYSA-N -1 1 270.373 1.573 20 0 CDADMM CCN1CCN(C(=O)c2cc(F)ccc2[O-])[C@H](C)C1=O ZINC000335878423 279348988 /nfs/dbraw/zinc/34/89/88/279348988.db2.gz NFHSQDJDIUBGKM-SECBINFHSA-N -1 1 280.299 1.224 20 0 CDADMM CCC(CC)Cn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC001590434447 1173407804 /nfs/dbraw/zinc/40/78/04/1173407804.db2.gz OKGGGIITUYFWMS-UHFFFAOYSA-N -1 1 276.344 1.476 20 0 CDADMM CCC(CC)[C@H](C)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001590432799 1173409073 /nfs/dbraw/zinc/40/90/73/1173409073.db2.gz OODNLHLMGIPIHW-ZETCQYMHSA-N -1 1 277.332 1.601 20 0 CDADMM CCC[C@H](CC)NC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000195146056 280071916 /nfs/dbraw/zinc/07/19/16/280071916.db2.gz VKNFPGXQEYJYQI-VIFPVBQESA-N -1 1 288.369 1.496 20 0 CDADMM COc1cccc([C@@H](CNC(=O)[C@@H](C)C(=O)[O-])N(C)C)c1 ZINC000229323271 280111034 /nfs/dbraw/zinc/11/10/34/280111034.db2.gz JQNHWIIDAXJANZ-ZWNOBZJWSA-N -1 1 294.351 1.135 20 0 CDADMM CC1(C)CN(C(=O)c2ccc([O-])cc2F)C[C@@H](CO)O1 ZINC000232386207 280121750 /nfs/dbraw/zinc/12/17/50/280121750.db2.gz SLOYNKCROHJTON-JTQLQIEISA-N -1 1 283.299 1.143 20 0 CDADMM Cc1cc(NC(=O)CN(C)C(C)C)ccc1C(=O)[O-] ZINC000236649966 280132781 /nfs/dbraw/zinc/13/27/81/280132781.db2.gz VYKJTCCLCOAMBM-UHFFFAOYSA-N -1 1 264.325 1.972 20 0 CDADMM CO[C@@H]1C[C@@H](C(=O)[O-])N(C[C@H]2CCC3(CCCC3)O2)C1 ZINC000520823965 281058415 /nfs/dbraw/zinc/05/84/15/281058415.db2.gz PSBYNAJINQDOPZ-UPJWGTAASA-N -1 1 283.368 1.652 20 0 CDADMM CC(C)CC1(C(=O)NCCCc2nc(=O)[n-][nH]2)CCCC1 ZINC000151057298 289081266 /nfs/dbraw/zinc/08/12/66/289081266.db2.gz VIWKFTJKJUVTKW-UHFFFAOYSA-N -1 1 294.399 1.753 20 0 CDADMM CC[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001590506470 1173441452 /nfs/dbraw/zinc/44/14/52/1173441452.db2.gz STMLVTZSYZECJG-DTWKUNHWSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001590506470 1173441459 /nfs/dbraw/zinc/44/14/59/1173441459.db2.gz STMLVTZSYZECJG-DTWKUNHWSA-N -1 1 275.316 1.026 20 0 CDADMM C[C@@H](NC(=O)c1csc(=NC2CC2)[n-]1)c1csnn1 ZINC000556836760 290307215 /nfs/dbraw/zinc/30/72/15/290307215.db2.gz ZKZLQSAVXXMEDX-ZCFIWIBFSA-N -1 1 295.393 1.482 20 0 CDADMM O=C(NCc1cnc2n1CCCC2)c1c([O-])cccc1F ZINC000560238091 290479404 /nfs/dbraw/zinc/47/94/04/290479404.db2.gz MUZGKIBUKZYJCK-UHFFFAOYSA-N -1 1 289.310 1.994 20 0 CDADMM CCC=CCNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001590531463 1173455817 /nfs/dbraw/zinc/45/58/17/1173455817.db2.gz LQJBFYPSNCWDAP-ARJAWSKDSA-N -1 1 292.730 1.611 20 0 CDADMM C[C@H]1COC(C)(C)CN1C(=O)c1csc(=NC2CC2)[n-]1 ZINC000562333034 293137655 /nfs/dbraw/zinc/13/76/55/293137655.db2.gz XNELSNXQMHUVCN-VIFPVBQESA-N -1 1 295.408 1.779 20 0 CDADMM C[C@@H]([NH2+]CC(=O)Nc1nn[nH]n1)c1cccc(C2CC2)c1 ZINC000562707112 293179925 /nfs/dbraw/zinc/17/99/25/293179925.db2.gz AMXDUTLRAPHPNS-SECBINFHSA-N -1 1 286.339 1.366 20 0 CDADMM CCCC[C@@H](C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001590577155 1173468352 /nfs/dbraw/zinc/46/83/52/1173468352.db2.gz OTQGBDGKHJWZKY-SSDOTTSWSA-N -1 1 263.305 1.112 20 0 CDADMM O=S(=O)(CCc1cscn1)c1n[n-]c(C2CC2)n1 ZINC000568356906 294019858 /nfs/dbraw/zinc/01/98/58/294019858.db2.gz CDWUWONYLRWFQK-UHFFFAOYSA-N -1 1 284.366 1.155 20 0 CDADMM CCO[C@H]1C[C@@H]1NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000568947058 294126539 /nfs/dbraw/zinc/12/65/39/294126539.db2.gz QDWPLTRNXHOFEK-YUMQZZPRSA-N -1 1 283.353 1.120 20 0 CDADMM CC(C)(C)[C@H]1CCCN1Cc1cn(CC(=O)[O-])nn1 ZINC000570639189 294278964 /nfs/dbraw/zinc/27/89/64/294278964.db2.gz WQJPDLMTSNAXMV-LLVKDONJSA-N -1 1 266.345 1.373 20 0 CDADMM C[C@H](CN=c1[nH]c(C(=O)[O-])co1)N(C)c1ccccc1 ZINC000574918886 295077520 /nfs/dbraw/zinc/07/75/20/295077520.db2.gz BHGGQPWGAONBBN-SNVBAGLBSA-N -1 1 275.308 1.732 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](C)[C@H]2C)n1 ZINC001590905848 1173539394 /nfs/dbraw/zinc/53/93/94/1173539394.db2.gz ORBINAYJYARJQD-RKDXNWHRSA-N -1 1 273.344 1.454 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](C)[C@H]2C)n1 ZINC001590905848 1173539397 /nfs/dbraw/zinc/53/93/97/1173539397.db2.gz ORBINAYJYARJQD-RKDXNWHRSA-N -1 1 273.344 1.454 20 0 CDADMM CCc1nc(N[C@@H]2CCSC2)cc(-c2nnn[n-]2)n1 ZINC001590916218 1173541884 /nfs/dbraw/zinc/54/18/84/1173541884.db2.gz MJFUCNLFYMRVGU-SSDOTTSWSA-N -1 1 277.357 1.137 20 0 CDADMM CCc1nc(N[C@@H]2CCSC2)cc(-c2nn[n-]n2)n1 ZINC001590916218 1173541889 /nfs/dbraw/zinc/54/18/89/1173541889.db2.gz MJFUCNLFYMRVGU-SSDOTTSWSA-N -1 1 277.357 1.137 20 0 CDADMM Cc1cnc(C(=O)N2CC[C@@H](C)[S@@](=O)CC2)c([O-])c1 ZINC000332202022 302333763 /nfs/dbraw/zinc/33/37/63/302333763.db2.gz CITUKIJYYYLXNT-DGIBIBHMSA-N -1 1 282.365 1.079 20 0 CDADMM CN(CC1CCC1)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001591054727 1173567563 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/nfs/dbraw/zinc/99/50/31/1174995031.db2.gz AMAWAZPVJUGZJX-ZJUUUORDSA-N -1 1 282.365 1.288 20 0 CDADMM O=C([N-]CCCOC(=O)c1ccccc1O)C(F)(F)F ZINC000774888491 575248929 /nfs/dbraw/zinc/24/89/29/575248929.db2.gz ZVXHZKYBQANHJO-UHFFFAOYSA-N -1 1 291.225 1.618 20 0 CDADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)C1CC(=O)C1 ZINC000769804139 575386758 /nfs/dbraw/zinc/38/67/58/575386758.db2.gz QNIVHUFLTQUHLK-UHFFFAOYSA-N -1 1 288.255 1.521 20 0 CDADMM COc1cccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c1F ZINC000769890146 575395296 /nfs/dbraw/zinc/39/52/96/575395296.db2.gz MZITVLNLLQIXCG-VIFPVBQESA-N -1 1 289.328 1.755 20 0 CDADMM C(=Cc1ccccc1)CNc1nccnc1-c1nnn[n-]1 ZINC000735397339 575464023 /nfs/dbraw/zinc/46/40/23/575464023.db2.gz BGEDVGVMMHHMHM-DAXSKMNVSA-N -1 1 279.307 1.782 20 0 CDADMM C(=Cc1ccccc1)CNc1nccnc1-c1nn[n-]n1 ZINC000735397339 575464025 /nfs/dbraw/zinc/46/40/25/575464025.db2.gz BGEDVGVMMHHMHM-DAXSKMNVSA-N -1 1 279.307 1.782 20 0 CDADMM C[C@@H](C(=O)N1CCC(c2nn[n-]n2)CC1)c1ccco1 ZINC000735518560 575482589 /nfs/dbraw/zinc/48/25/89/575482589.db2.gz GXVPEPLOOQXCMX-SECBINFHSA-N -1 1 275.312 1.302 20 0 CDADMM CC(C)Cc1noc(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000735851172 575519717 /nfs/dbraw/zinc/51/97/17/575519717.db2.gz NCYVJPCCVWTQCQ-UHFFFAOYSA-N -1 1 271.284 1.510 20 0 CDADMM CC(C)Cc1noc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000735851172 575519718 /nfs/dbraw/zinc/51/97/18/575519718.db2.gz NCYVJPCCVWTQCQ-UHFFFAOYSA-N -1 1 271.284 1.510 20 0 CDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC000736027167 575551951 /nfs/dbraw/zinc/55/19/51/575551951.db2.gz YUQLYEAWIADXFW-SNVBAGLBSA-N -1 1 281.323 1.872 20 0 CDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC000736027167 575551953 /nfs/dbraw/zinc/55/19/53/575551953.db2.gz YUQLYEAWIADXFW-SNVBAGLBSA-N -1 1 281.323 1.872 20 0 CDADMM C[C@](O)(CNc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000736140836 575576603 /nfs/dbraw/zinc/57/66/03/575576603.db2.gz DEQHMIHOASSWQT-HNNXBMFYSA-N -1 1 296.334 1.581 20 0 CDADMM C[C@](O)(CNc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000736140836 575576607 /nfs/dbraw/zinc/57/66/07/575576607.db2.gz DEQHMIHOASSWQT-HNNXBMFYSA-N -1 1 296.334 1.581 20 0 CDADMM CC(C)(NCC(=O)N[C@@H](c1ccccc1)C1CC1)C(=O)[O-] ZINC000736339422 575628445 /nfs/dbraw/zinc/62/84/45/575628445.db2.gz PLMSHVJOMMJEPE-AWEZNQCLSA-N -1 1 290.363 1.707 20 0 CDADMM CC[C@@H](Cc1ccccc1)C(=O)OCc1nn[n-]n1 ZINC000736350215 575634669 /nfs/dbraw/zinc/63/46/69/575634669.db2.gz KXVGOIPWXJRJAE-NSHDSACASA-N -1 1 260.297 1.512 20 0 CDADMM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCN(C2CCCC2)CC1 ZINC000736366254 575640587 /nfs/dbraw/zinc/64/05/87/575640587.db2.gz UBKVHXCYGUYRJS-CYBMUJFWSA-N -1 1 297.399 1.365 20 0 CDADMM CC(C)[C@H]1CN(C)CCN1C(=O)CCCN(C)C(=O)[O-] ZINC000736396081 575648334 /nfs/dbraw/zinc/64/83/34/575648334.db2.gz MACRBXLBVTXVLW-GFCCVEGCSA-N -1 1 285.388 1.175 20 0 CDADMM CCOc1cccc(CNc2nccnc2-c2nnn[n-]2)c1 ZINC000736655891 575712632 /nfs/dbraw/zinc/71/26/32/575712632.db2.gz VLXLLHWZVXLXEI-UHFFFAOYSA-N -1 1 297.322 1.668 20 0 CDADMM CCOc1cccc(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000736655891 575712634 /nfs/dbraw/zinc/71/26/34/575712634.db2.gz VLXLLHWZVXLXEI-UHFFFAOYSA-N -1 1 297.322 1.668 20 0 CDADMM CCC[C@@H](C)N1C[C@@H](C(=O)[N-]OC2CCOCC2)CC1=O ZINC000772717006 575742376 /nfs/dbraw/zinc/74/23/76/575742376.db2.gz DKPVPSRHAMHEQZ-NEPJUHHUSA-N -1 1 298.383 1.250 20 0 CDADMM O=C(CC1CCCCC1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773164925 575787850 /nfs/dbraw/zinc/78/78/50/575787850.db2.gz YCQMZXZRLMDDSD-NSHDSACASA-N -1 1 295.412 1.787 20 0 CDADMM CCCN(C)CC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000737007231 575791546 /nfs/dbraw/zinc/79/15/46/575791546.db2.gz CZVCYXJDOQSREU-UHFFFAOYSA-N -1 1 280.324 1.430 20 0 CDADMM COCc1ccccc1CNc1cnc(-c2nnn[n-]2)cn1 ZINC000737022484 575797779 /nfs/dbraw/zinc/79/77/79/575797779.db2.gz UEHPEFJDMLZGFG-UHFFFAOYSA-N -1 1 297.322 1.415 20 0 CDADMM COCc1ccccc1CNc1cnc(-c2nn[n-]n2)cn1 ZINC000737022484 575797780 /nfs/dbraw/zinc/79/77/80/575797780.db2.gz UEHPEFJDMLZGFG-UHFFFAOYSA-N -1 1 297.322 1.415 20 0 CDADMM CCCOC(=O)[C@@H](C)N1CCCC[C@@H]1CC(=O)[O-] 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ZINC000737181063 575897116 /nfs/dbraw/zinc/89/71/16/575897116.db2.gz KBZNSCPCVFLFRE-QMMMGPOBSA-N -1 1 264.358 1.815 20 0 CDADMM CCc1nc(NC(=O)CNC(C)(C)C(=O)[O-])sc1C ZINC000737283217 575933260 /nfs/dbraw/zinc/93/32/60/575933260.db2.gz WJHSYLBHKSTRSD-UHFFFAOYSA-N -1 1 285.369 1.405 20 0 CDADMM Cc1ccc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)c(C)c1 ZINC000737311414 575938158 /nfs/dbraw/zinc/93/81/58/575938158.db2.gz ZRJWOMLLXGJDAJ-LBPRGKRZSA-N -1 1 287.323 1.030 20 0 CDADMM Cc1nc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c2ccccn12 ZINC000737467777 575972123 /nfs/dbraw/zinc/97/21/23/575972123.db2.gz STFBCJXDTLCBJJ-SECBINFHSA-N -1 1 299.338 1.032 20 0 CDADMM Cc1ncc(CNCc2cccc(OCC(=O)[O-])c2)cn1 ZINC000738885890 575980488 /nfs/dbraw/zinc/98/04/88/575980488.db2.gz YDIQHKKCLRTPHU-UHFFFAOYSA-N -1 1 287.319 1.538 20 0 CDADMM CN1CCN(C[C@@H](NC(=O)[O-])c2ccccc2)CC1 ZINC000737525937 575983436 /nfs/dbraw/zinc/98/34/36/575983436.db2.gz IGJURXKBAPFJEX-CYBMUJFWSA-N -1 1 263.341 1.243 20 0 CDADMM CN1CCC[C@H]1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000737524892 575986004 /nfs/dbraw/zinc/98/60/04/575986004.db2.gz YYKNUHZDSHFAPZ-YPMHNXCESA-N -1 1 274.320 1.296 20 0 CDADMM Cn1[n-]c(COC(=O)c2ccccc2Cl)nc1=O ZINC000765391865 576015706 /nfs/dbraw/zinc/01/57/06/576015706.db2.gz HVYPWPIBJGKOAN-UHFFFAOYSA-N -1 1 267.672 1.119 20 0 CDADMM Cn1[n-]c(COC(=O)c2c(F)cccc2Cl)nc1=O ZINC000765390386 576015745 /nfs/dbraw/zinc/01/57/45/576015745.db2.gz RLSHIFCWANFFST-UHFFFAOYSA-N -1 1 285.662 1.258 20 0 CDADMM Cn1[n-]c(COC(=O)/C=C\Sc2ccccc2)nc1=O ZINC000765413257 576018597 /nfs/dbraw/zinc/01/85/97/576018597.db2.gz DWVMPPWGRYKHBA-FPLPWBNLSA-N -1 1 291.332 1.458 20 0 CDADMM O=C(OCCCF)c1sccc1-c1nn[n-]n1 ZINC000738223152 576050407 /nfs/dbraw/zinc/05/04/07/576050407.db2.gz XCJIJBNTVAZUOV-UHFFFAOYSA-N -1 1 256.262 1.445 20 0 CDADMM COC[C@@H](O)CCNC(=O)c1c([O-])cccc1Cl ZINC000766239807 576087983 /nfs/dbraw/zinc/08/79/83/576087983.db2.gz ONPJUDRKNHDDTG-QMMMGPOBSA-N -1 1 273.716 1.173 20 0 CDADMM C[C@H]1CC[C@@H](CCC(=O)[N-]OCC(F)(F)F)O1 ZINC000766762766 576132336 /nfs/dbraw/zinc/13/23/36/576132336.db2.gz PSAXJKFWFSZVBY-YUMQZZPRSA-N -1 1 255.236 1.944 20 0 CDADMM Cc1n[nH]c(C)c1CCC(=O)[N-]OCC(F)(F)F ZINC000766763269 576132981 /nfs/dbraw/zinc/13/29/81/576132981.db2.gz DNOJHUMIUBQYBA-UHFFFAOYSA-N -1 1 265.235 1.569 20 0 CDADMM CC(C)c1noc(CCC(=O)[N-]OCC(F)(F)F)n1 ZINC000766775448 576133919 /nfs/dbraw/zinc/13/39/19/576133919.db2.gz VOPKRYMQENOUAC-UHFFFAOYSA-N -1 1 281.234 1.736 20 0 CDADMM CCc1cc(=O)[n-]c(SC[C@H]2CCOCO2)n1 ZINC000767058539 576156737 /nfs/dbraw/zinc/15/67/37/576156737.db2.gz XLZLYAFVSDPSHX-SECBINFHSA-N -1 1 256.327 1.600 20 0 CDADMM O=C(CNC1(C(=O)[O-])CCCCC1)NC1CCCCC1 ZINC000739309878 576205255 /nfs/dbraw/zinc/20/52/55/576205255.db2.gz ULDGQKUJVPNDHE-UHFFFAOYSA-N -1 1 282.384 1.812 20 0 CDADMM COc1ccc(C(=O)NCc2nn[n-]n2)cc1C1CC1 ZINC000767914989 576238484 /nfs/dbraw/zinc/23/84/84/576238484.db2.gz CJKOFWOCEIUVEZ-UHFFFAOYSA-N -1 1 273.296 1.016 20 0 CDADMM Cc1cccc2c([O-])c(C(=O)N=c3sccn3C)cnc12 ZINC000741746052 576570938 /nfs/dbraw/zinc/57/09/38/576570938.db2.gz JWXWTJWUIRFEDG-UHFFFAOYSA-N -1 1 299.355 1.978 20 0 CDADMM CCCCC[C@H](C(=O)NCc1nn[n-]n1)C(C)C ZINC000755362614 576941668 /nfs/dbraw/zinc/94/16/68/576941668.db2.gz WBWPIDMPRYLJRS-JTQLQIEISA-N -1 1 253.350 1.668 20 0 CDADMM Cc1nnc(NC([O-])=NO[C@H]2CCCCO2)s1 ZINC000749396801 576946707 /nfs/dbraw/zinc/94/67/07/576946707.db2.gz AMUMQXVNYDZWJR-ZETCQYMHSA-N -1 1 258.303 1.426 20 0 CDADMM Cc1nnc(NC(=O)[N-]O[C@H]2CCCCO2)s1 ZINC000749396801 576946709 /nfs/dbraw/zinc/94/67/09/576946709.db2.gz AMUMQXVNYDZWJR-ZETCQYMHSA-N -1 1 258.303 1.426 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCn1cccc1 ZINC000749406922 576947439 /nfs/dbraw/zinc/94/74/39/576947439.db2.gz OCXRAXDVESWSKE-UHFFFAOYSA-N -1 1 288.351 1.846 20 0 CDADMM CC[S@](=O)[C@H]1CCC[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000750130358 576977656 /nfs/dbraw/zinc/97/76/56/576977656.db2.gz KGBUWLAIMJQMMZ-WFKSXWRXSA-N -1 1 271.304 1.745 20 0 CDADMM C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000758332423 577098761 /nfs/dbraw/zinc/09/87/61/577098761.db2.gz APBFYNURRNIPHR-XPUUQOCRSA-N -1 1 268.254 1.486 20 0 CDADMM O=C([N-]OCC(F)F)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000759343066 577171587 /nfs/dbraw/zinc/17/15/87/577171587.db2.gz ONQLCTXXMLPQGG-VIFPVBQESA-N -1 1 290.310 1.481 20 0 CDADMM O=C(Cc1cn2ccccc2n1)[N-]OCC(F)F ZINC000759351392 577172837 /nfs/dbraw/zinc/17/28/37/577172837.db2.gz MAFABUZGQXGCFX-UHFFFAOYSA-N -1 1 255.224 1.190 20 0 CDADMM O=C([O-])C[C@@H]1CCCCN1CN1C[C@H](C2CC2)CC1=O ZINC001601949557 1175081986 /nfs/dbraw/zinc/08/19/86/1175081986.db2.gz LDNUUQJYXPSYJV-OLZOCXBDSA-N -1 1 280.368 1.532 20 0 CDADMM CCc1nnc([C@@H](C)N2CC[C@](C)(C(=O)[O-])C2)o1 ZINC000830335022 601942826 /nfs/dbraw/zinc/94/28/26/601942826.db2.gz IERYDMFJPFZFRL-PELKAZGASA-N -1 1 253.302 1.490 20 0 CDADMM O=C([O-])c1cc(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)c[nH]1 ZINC001602257162 1175184525 /nfs/dbraw/zinc/18/45/25/1175184525.db2.gz 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SJDZCZJFAQYSGX-UHFFFAOYSA-N -1 1 277.353 1.943 20 0 CDADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)C1CCC1 ZINC000821160981 606568146 /nfs/dbraw/zinc/56/81/46/606568146.db2.gz SJDZCZJFAQYSGX-UHFFFAOYSA-N -1 1 277.353 1.943 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000823436056 606647681 /nfs/dbraw/zinc/64/76/81/606647681.db2.gz FVIPOUOHQKELRA-PJXYFTJBSA-N -1 1 299.334 1.741 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000823436056 606647682 /nfs/dbraw/zinc/64/76/82/606647682.db2.gz FVIPOUOHQKELRA-PJXYFTJBSA-N -1 1 299.334 1.741 20 0 CDADMM CC1(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000820578136 606762079 /nfs/dbraw/zinc/76/20/79/606762079.db2.gz XVJJPJQWVTVCJQ-UHFFFAOYSA-N -1 1 259.269 1.105 20 0 CDADMM CC1(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000820578136 606762081 /nfs/dbraw/zinc/76/20/81/606762081.db2.gz XVJJPJQWVTVCJQ-UHFFFAOYSA-N -1 1 259.269 1.105 20 0 CDADMM C[C@H]1CCC(=CC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000820678659 606828521 /nfs/dbraw/zinc/82/85/21/606828521.db2.gz WWHSAARMOGUWMC-QAZRXNLGSA-N -1 1 273.300 1.032 20 0 CDADMM CC(C)(O)CCOc1cccc(F)c1-c1nnn[n-]1 ZINC000824172268 607866485 /nfs/dbraw/zinc/86/64/85/607866485.db2.gz IOYUWIJXGDXHPK-UHFFFAOYSA-N -1 1 266.276 1.546 20 0 CDADMM CC(C)(O)CCOc1cccc(F)c1-c1nn[n-]n1 ZINC000824172268 607866486 /nfs/dbraw/zinc/86/64/86/607866486.db2.gz IOYUWIJXGDXHPK-UHFFFAOYSA-N -1 1 266.276 1.546 20 0 CDADMM OCc1cccc(Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826510191 607895082 /nfs/dbraw/zinc/89/50/82/607895082.db2.gz BZRVSZYQDXPLPN-UHFFFAOYSA-N -1 1 268.280 1.498 20 0 CDADMM OCc1cccc(Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826510191 607895083 /nfs/dbraw/zinc/89/50/83/607895083.db2.gz BZRVSZYQDXPLPN-UHFFFAOYSA-N -1 1 268.280 1.498 20 0 CDADMM CCC(CC)(CO)Nc1cccc(-c2nnn[n-]2)n1 ZINC000095261906 607900458 /nfs/dbraw/zinc/90/04/58/607900458.db2.gz JXRUQPICVQOCRI-UHFFFAOYSA-N -1 1 262.317 1.225 20 0 CDADMM CCC(CC)(CO)Nc1cccc(-c2nn[n-]n2)n1 ZINC000095261906 607900459 /nfs/dbraw/zinc/90/04/59/607900459.db2.gz JXRUQPICVQOCRI-UHFFFAOYSA-N -1 1 262.317 1.225 20 0 CDADMM CS[C@H](C)CNc1cccc(-c2nnn[n-]2)n1 ZINC000826225931 607903251 /nfs/dbraw/zinc/90/32/51/607903251.db2.gz NVFXLXHYGJIGIY-SSDOTTSWSA-N -1 1 250.331 1.425 20 0 CDADMM CS[C@H](C)CNc1cccc(-c2nn[n-]n2)n1 ZINC000826225931 607903252 /nfs/dbraw/zinc/90/32/52/607903252.db2.gz NVFXLXHYGJIGIY-SSDOTTSWSA-N -1 1 250.331 1.425 20 0 CDADMM CC(C)CSCCCNc1nccnc1-c1nnn[n-]1 ZINC000824274437 607905060 /nfs/dbraw/zinc/90/50/60/607905060.db2.gz HUXNQGXFPNSGHG-UHFFFAOYSA-N -1 1 293.400 1.848 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CNc1ccc2n[nH]cc2c1 ZINC000826517494 607910849 /nfs/dbraw/zinc/91/08/49/607910849.db2.gz FGZIZIMIRFDDQD-UHFFFAOYSA-N -1 1 281.279 1.948 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1CNc1ccc2n[nH]cc2c1 ZINC000826517494 607910850 /nfs/dbraw/zinc/91/08/50/607910850.db2.gz FGZIZIMIRFDDQD-UHFFFAOYSA-N -1 1 281.279 1.948 20 0 CDADMM Cc1cnc(NC(=O)c2ccc(-c3nnn[n-]3)s2)nc1 ZINC000826319140 608262649 /nfs/dbraw/zinc/26/26/49/608262649.db2.gz PPTMLMBFCZMSSP-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1cnc(NC(=O)c2ccc(-c3nn[n-]n3)s2)nc1 ZINC000826319140 608262651 /nfs/dbraw/zinc/26/26/51/608262651.db2.gz PPTMLMBFCZMSSP-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM COc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)c(OC)c1 ZINC000826210309 608388712 /nfs/dbraw/zinc/38/87/12/608388712.db2.gz MFCDCZQTNXAYII-UHFFFAOYSA-N -1 1 299.294 1.418 20 0 CDADMM COc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)c(OC)c1 ZINC000826210309 608388715 /nfs/dbraw/zinc/38/87/15/608388715.db2.gz MFCDCZQTNXAYII-UHFFFAOYSA-N -1 1 299.294 1.418 20 0 CDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccs1 ZINC000824654876 608389295 /nfs/dbraw/zinc/38/92/95/608389295.db2.gz ACJLMMVULXJMAU-SSDOTTSWSA-N -1 1 273.325 1.891 20 0 CDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccs1 ZINC000824654876 608389293 /nfs/dbraw/zinc/38/92/93/608389293.db2.gz ACJLMMVULXJMAU-SSDOTTSWSA-N -1 1 273.325 1.891 20 0 CDADMM C1=CC[C@]2(CC1)CCCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC000823874432 608418778 /nfs/dbraw/zinc/41/87/78/608418778.db2.gz WWLSMUSZJMJPMB-HNNXBMFYSA-N -1 1 297.366 1.983 20 0 CDADMM C1=CC[C@]2(CC1)CCCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC000823874432 608418780 /nfs/dbraw/zinc/41/87/80/608418780.db2.gz WWLSMUSZJMJPMB-HNNXBMFYSA-N -1 1 297.366 1.983 20 0 CDADMM CC[C@H]1C[C@H](C)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC000825181733 608428075 /nfs/dbraw/zinc/42/80/75/608428075.db2.gz FYGBRBDYSISDNX-IUCAKERBSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@H]1C[C@H](C)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC000825181733 608428076 /nfs/dbraw/zinc/42/80/76/608428076.db2.gz FYGBRBDYSISDNX-IUCAKERBSA-N -1 1 259.317 1.282 20 0 CDADMM c1cncc([C@H](Nc2ccc(-c3nnn[n-]3)nn2)C2CC2)c1 ZINC000826525618 608439374 /nfs/dbraw/zinc/43/93/74/608439374.db2.gz RRLJGQWTFPZKAB-CYBMUJFWSA-N -1 1 294.322 1.615 20 0 CDADMM c1cncc([C@H](Nc2ccc(-c3nn[n-]n3)nn2)C2CC2)c1 ZINC000826525618 608439376 /nfs/dbraw/zinc/43/93/76/608439376.db2.gz RRLJGQWTFPZKAB-CYBMUJFWSA-N -1 1 294.322 1.615 20 0 CDADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@H](C)O1 ZINC000824893962 608444803 /nfs/dbraw/zinc/44/48/03/608444803.db2.gz WBTDRAKMGINBDD-AYMMMOKOSA-N -1 1 275.316 1.025 20 0 CDADMM c1cn(CCN2CCCc3ccccc32)c(-c2nnn[n-]2)n1 ZINC000826523227 608888567 /nfs/dbraw/zinc/88/85/67/608888567.db2.gz FVGOZHJNPHFOAF-UHFFFAOYSA-N -1 1 295.350 1.516 20 0 CDADMM c1cn(CCN2CCCc3ccccc32)c(-c2nn[n-]n2)n1 ZINC000826523227 608888568 /nfs/dbraw/zinc/88/85/68/608888568.db2.gz FVGOZHJNPHFOAF-UHFFFAOYSA-N -1 1 295.350 1.516 20 0 CDADMM COC1(C)CN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000826143843 609165393 /nfs/dbraw/zinc/16/53/93/609165393.db2.gz RQJZKPSJWNMQJM-UHFFFAOYSA-N -1 1 286.748 1.202 20 0 CDADMM COC1(C)CN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000826143843 609165395 /nfs/dbraw/zinc/16/53/95/609165395.db2.gz RQJZKPSJWNMQJM-UHFFFAOYSA-N -1 1 286.748 1.202 20 0 CDADMM O=C(NCC[C@H](O)C1CC1)c1cc(F)ccc1[O-] ZINC000890721585 617305571 /nfs/dbraw/zinc/30/55/71/617305571.db2.gz DKJLKUVMFBQSPB-NSHDSACASA-N -1 1 253.273 1.422 20 0 CDADMM O=S(=O)([N-][C@@H]1C[C@H]1C1CCC1)c1c[nH]nc1Cl ZINC000867442678 617324522 /nfs/dbraw/zinc/32/45/22/617324522.db2.gz KDWAXRURUBEHKU-JGVFFNPUSA-N -1 1 275.761 1.530 20 0 CDADMM C[C@]12CSC[C@H]1CN(C(=O)C(=O)c1ccc([O-])cc1)C2 ZINC000891181523 617376325 /nfs/dbraw/zinc/37/63/25/617376325.db2.gz PXULZLHXBNJDGJ-ABAIWWIYSA-N -1 1 291.372 1.786 20 0 CDADMM CCN(CC)C(=O)CCCNc1cc(=O)[n-]c(COC)n1 ZINC000892473047 617402209 /nfs/dbraw/zinc/40/22/09/617402209.db2.gz HAIVNLVPGWCYET-UHFFFAOYSA-N -1 1 296.371 1.389 20 0 CDADMM CC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)c1ncccc1[O-] ZINC000953496327 613838943 /nfs/dbraw/zinc/83/89/43/613838943.db2.gz WHOHOECLXFTJIT-PWSUYJOCSA-N -1 1 291.351 1.307 20 0 CDADMM C[C@@H](C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)n1cccn1 ZINC000891623172 617509138 /nfs/dbraw/zinc/50/91/38/617509138.db2.gz IPCKVSOHUBKBKF-VIFPVBQESA-N -1 1 287.323 1.457 20 0 CDADMM COC(=O)C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)C1CC1 ZINC000934412205 617589637 /nfs/dbraw/zinc/58/96/37/617589637.db2.gz IRNXZKZDMJTXIV-SECBINFHSA-N -1 1 299.273 1.742 20 0 CDADMM COCc1nc(N2CCC[C@](C)(O)CC2)cc(=O)[n-]1 ZINC000893598689 617641489 /nfs/dbraw/zinc/64/14/89/617641489.db2.gz DJRVWFQRCQVCFQ-ZDUSSCGKSA-N -1 1 267.329 1.070 20 0 CDADMM CC[C@@H]1CN(c2cc(=O)[n-]c(COC)n2)CCCO1 ZINC000893675228 617828488 /nfs/dbraw/zinc/82/84/88/617828488.db2.gz QEZRKGUQWMQDRB-SNVBAGLBSA-N -1 1 267.329 1.334 20 0 CDADMM CC(C)(O)C(C)(C)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000909390368 618061646 /nfs/dbraw/zinc/06/16/46/618061646.db2.gz YCKXERNQCXRPQW-UHFFFAOYSA-N -1 1 293.367 1.587 20 0 CDADMM O=S(=O)([N-]C1(C2CC2)CC1)c1ccc(F)nc1F ZINC000866962792 620775887 /nfs/dbraw/zinc/77/58/87/620775887.db2.gz PLDNJJICTIXXSX-UHFFFAOYSA-N -1 1 274.292 1.581 20 0 CDADMM COCc1nc(N2CC[C@H](C)[C@H](C)C2)cc(=O)[n-]1 ZINC000893056978 618107486 /nfs/dbraw/zinc/10/74/86/618107486.db2.gz SEKZROCHEQPLHE-VHSXEESVSA-N -1 1 251.330 1.811 20 0 CDADMM COCc1nc(NCCOCC2CC2)cc(=O)[n-]1 ZINC000892418997 618173379 /nfs/dbraw/zinc/17/33/79/618173379.db2.gz XWPGNWYBZTYTNF-UHFFFAOYSA-N -1 1 253.302 1.167 20 0 CDADMM COCc1nc(N2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc(=O)[n-]1 ZINC000894046420 618294051 /nfs/dbraw/zinc/29/40/51/618294051.db2.gz NYWYPPUJDIQYMV-TUAOUCFPSA-N -1 1 293.367 1.458 20 0 CDADMM CC(C)[C@H](CNC(=O)[C@@H](C)Cc1cnc[nH]1)C(=O)[O-] ZINC000902025177 618466807 /nfs/dbraw/zinc/46/68/07/618466807.db2.gz XRNIUHNTEVCQLD-ONGXEEELSA-N -1 1 267.329 1.061 20 0 CDADMM CN(C)[C@@H](CNC(=O)N(C)CCC(=O)[O-])c1ccsc1 ZINC000818429091 618508873 /nfs/dbraw/zinc/50/88/73/618508873.db2.gz MZBUCATYNDHSTE-NSHDSACASA-N -1 1 299.396 1.467 20 0 CDADMM CC(C)C[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824236084 618556931 /nfs/dbraw/zinc/55/69/31/618556931.db2.gz MKUAVSCTOGJLNK-MRVPVSSYSA-N -1 1 295.368 1.065 20 0 CDADMM CC(C)C[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824236084 618556938 /nfs/dbraw/zinc/55/69/38/618556938.db2.gz MKUAVSCTOGJLNK-MRVPVSSYSA-N -1 1 295.368 1.065 20 0 CDADMM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCC[C@@]2(C)C(=O)[O-])C1 ZINC000902107045 618564803 /nfs/dbraw/zinc/56/48/03/618564803.db2.gz MJDZNAUSRFARRO-VPJDZLOFSA-N -1 1 291.351 1.541 20 0 CDADMM CN(C)CC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC000910934867 618585262 /nfs/dbraw/zinc/58/52/62/618585262.db2.gz GDTIEONZQAICBS-OAHLLOKOSA-N -1 1 286.331 1.643 20 0 CDADMM CC1CCN(CC(=O)NCC2(C(=O)[O-])CCCC2)CC1 ZINC000828284760 618617233 /nfs/dbraw/zinc/61/72/33/618617233.db2.gz IAYQTOWAHFFVQP-UHFFFAOYSA-N -1 1 282.384 1.480 20 0 CDADMM CCOC(=O)c1nc([C@H](C)Nc2nccs2)n[n-]1 ZINC000894517254 618936001 /nfs/dbraw/zinc/93/60/01/618936001.db2.gz UVUCTXQTYNXTIQ-LURJTMIESA-N -1 1 267.314 1.611 20 0 CDADMM CCOC(=O)c1nnc([C@H](C)Nc2nccs2)[n-]1 ZINC000894517254 618936006 /nfs/dbraw/zinc/93/60/06/618936006.db2.gz UVUCTXQTYNXTIQ-LURJTMIESA-N -1 1 267.314 1.611 20 0 CDADMM CCOC(=O)c1n[n-]c([C@H](C)Nc2nccs2)n1 ZINC000894517254 618936008 /nfs/dbraw/zinc/93/60/08/618936008.db2.gz UVUCTXQTYNXTIQ-LURJTMIESA-N -1 1 267.314 1.611 20 0 CDADMM CN1CCCC[C@@H]1C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 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/nfs/dbraw/zinc/51/41/48/630514148.db2.gz SEJNRKCTSVPCOF-ZETCQYMHSA-N -1 1 299.743 1.128 20 0 CDADMM CC(=O)CC1(C(=O)N2CCC(c3nn[n-]n3)CC2)CCC1 ZINC000913745187 630742870 /nfs/dbraw/zinc/74/28/70/630742870.db2.gz SIMRAZXVOZSKSV-UHFFFAOYSA-N -1 1 291.355 1.055 20 0 CDADMM O=C1OCC[C@@H]1[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC000829684492 630918143 /nfs/dbraw/zinc/91/81/43/630918143.db2.gz QJCKDILAXDEWST-IUCAKERBSA-N -1 1 297.323 1.047 20 0 CDADMM CC(C)(CNC(=O)Cc1sc(N)nc1[O-])C1CCCC1 ZINC000152440757 631048062 /nfs/dbraw/zinc/04/80/62/631048062.db2.gz SYPPYJMWTAEJJI-JTQLQIEISA-N -1 1 297.424 1.666 20 0 CDADMM Cc1ccc(CNC(=O)CN[C@H](C(=O)[O-])C(C)C)cc1 ZINC000035391568 632077389 /nfs/dbraw/zinc/07/73/89/632077389.db2.gz CAQUBMJJLJZQBB-AWEZNQCLSA-N -1 1 278.352 1.310 20 0 CDADMM Cc1oc(NC(=O)CN[C@@H](C(=O)[O-])C(C)C)c(C#N)c1C ZINC000035391639 632079383 /nfs/dbraw/zinc/07/93/83/632079383.db2.gz GOZJMCSRRXPNJF-GFCCVEGCSA-N -1 1 293.323 1.405 20 0 CDADMM C[C@@H](O)[C@@H](C)Sc1nc(C(F)F)cc(=O)[n-]1 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1163530660 /nfs/dbraw/zinc/53/06/60/1163530660.db2.gz DXDHGDPBGWHDMR-UHFFFAOYSA-N -1 1 286.251 1.116 20 0 CDADMM Cc1cc(CNc2n[nH]cc2-c2nnn[n-]2)ccc1F ZINC001605661468 1163638528 /nfs/dbraw/zinc/63/85/28/1163638528.db2.gz ZTMQEZOBLJNJSF-UHFFFAOYSA-N -1 1 273.275 1.649 20 0 CDADMM Cc1cc(CNc2n[nH]cc2-c2nn[n-]n2)ccc1F ZINC001605661468 1163638533 /nfs/dbraw/zinc/63/85/33/1163638533.db2.gz ZTMQEZOBLJNJSF-UHFFFAOYSA-N -1 1 273.275 1.649 20 0 CDADMM Cc1ccc(CCCn2cnc(-c3nn[n-]n3)cc2=O)cc1 ZINC001605843411 1163685273 /nfs/dbraw/zinc/68/52/73/1163685273.db2.gz GGIYNHXDQVWCJO-UHFFFAOYSA-N -1 1 296.334 1.365 20 0 CDADMM CCc1nc(CNCc2ccc(C=CC(=O)[O-])o2)n[nH]1 ZINC001605850516 1163690108 /nfs/dbraw/zinc/69/01/08/1163690108.db2.gz OQRGGDBCUCAMFY-AATRIKPKSA-N -1 1 276.296 1.348 20 0 CDADMM Cc1ccc(N[C@H](C)C[C@@H](C)O)c(-c2nnn[n-]2)n1 ZINC001605872567 1163699247 /nfs/dbraw/zinc/69/92/47/1163699247.db2.gz XZRGTVAWQKGSOD-RKDXNWHRSA-N -1 1 262.317 1.141 20 0 CDADMM Cc1ccc(N[C@H](C)C[C@@H](C)O)c(-c2nn[n-]n2)n1 ZINC001605872567 1163699251 /nfs/dbraw/zinc/69/92/51/1163699251.db2.gz XZRGTVAWQKGSOD-RKDXNWHRSA-N -1 1 262.317 1.141 20 0 CDADMM CCc1oc(C(=O)[O-])cc1CN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC001605879813 1163703892 /nfs/dbraw/zinc/70/38/92/1163703892.db2.gz SHSBKIJTHIUJPC-NSHDSACASA-N -1 1 296.367 1.039 20 0 CDADMM Cc1cccc(CCNc2ccc(C)nc2-c2nnn[n-]2)n1 ZINC001605913412 1163711274 /nfs/dbraw/zinc/71/12/74/1163711274.db2.gz JJVWQGZIDNCAKK-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1cccc(CCNc2ccc(C)nc2-c2nn[n-]n2)n1 ZINC001605913412 1163711279 /nfs/dbraw/zinc/71/12/79/1163711279.db2.gz JJVWQGZIDNCAKK-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1cccnc1[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001605946660 1163724282 /nfs/dbraw/zinc/72/42/82/1163724282.db2.gz YTNMQAWIAMWTNK-VIFPVBQESA-N -1 1 298.306 1.654 20 0 CDADMM Cc1cccnc1[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001605946660 1163724286 /nfs/dbraw/zinc/72/42/86/1163724286.db2.gz YTNMQAWIAMWTNK-VIFPVBQESA-N -1 1 298.306 1.654 20 0 CDADMM Cc1nc(NCc2nccs2)cc(-c2nnn[n-]2)n1 ZINC001606076470 1163765088 /nfs/dbraw/zinc/76/50/88/1163765088.db2.gz IWIGDTQRAHTABH-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM Cc1nc(NCc2nccs2)cc(-c2nn[n-]n2)n1 ZINC001606076470 1163765092 /nfs/dbraw/zinc/76/50/92/1163765092.db2.gz IWIGDTQRAHTABH-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM CN(C[C@H](O)C(F)(F)F)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001606093656 1163769632 /nfs/dbraw/zinc/76/96/32/1163769632.db2.gz CHGOHKYVOCCIQT-VHSXEESVSA-N -1 1 295.232 1.806 20 0 CDADMM Cc1nn(C)c(NC(=O)CC(C)(C)C)c1-c1nnn[n-]1 ZINC001606109900 1163776659 /nfs/dbraw/zinc/77/66/59/1163776659.db2.gz BWFFYGHFUGVDAT-UHFFFAOYSA-N -1 1 277.332 1.283 20 0 CDADMM Cc1nn(C)c(NC(=O)CC(C)(C)C)c1-c1nn[n-]n1 ZINC001606109900 1163776663 /nfs/dbraw/zinc/77/66/63/1163776663.db2.gz BWFFYGHFUGVDAT-UHFFFAOYSA-N -1 1 277.332 1.283 20 0 CDADMM CN(Cc1nc2cc(C(=O)[O-])ccc2[nH]1)C[C@@H]1CCOC1 ZINC001606177431 1163800125 /nfs/dbraw/zinc/80/01/25/1163800125.db2.gz HQDCHJWOLCGQOW-JTQLQIEISA-N -1 1 289.335 1.729 20 0 CDADMM Clc1nc(N2CC(C3CC3)C2)sc1-c1nnn[n-]1 ZINC001606198477 1163805087 /nfs/dbraw/zinc/80/50/87/1163805087.db2.gz MURGVIULBQNSDY-UHFFFAOYSA-N -1 1 282.760 1.823 20 0 CDADMM Clc1nc(N2CC(C3CC3)C2)sc1-c1nn[n-]n1 ZINC001606198477 1163805097 /nfs/dbraw/zinc/80/50/97/1163805097.db2.gz MURGVIULBQNSDY-UHFFFAOYSA-N -1 1 282.760 1.823 20 0 CDADMM FCC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001606302849 1163849645 /nfs/dbraw/zinc/84/96/45/1163849645.db2.gz MUOKEJXMKWLGHT-SECBINFHSA-N -1 1 277.307 1.233 20 0 CDADMM FCC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001606302849 1163849650 /nfs/dbraw/zinc/84/96/50/1163849650.db2.gz MUOKEJXMKWLGHT-SECBINFHSA-N -1 1 277.307 1.233 20 0 CDADMM O=C(CC1CCC1)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001606499098 1163917257 /nfs/dbraw/zinc/91/72/57/1163917257.db2.gz WXPPKHRUFVJMNE-UHFFFAOYSA-N -1 1 287.327 1.596 20 0 CDADMM O=C(NC12CCC(CC1)CC2)c1cccc(-c2nnn[n-]2)n1 ZINC001606645353 1163945067 /nfs/dbraw/zinc/94/50/67/1163945067.db2.gz VYEHJPLINPLLBI-UHFFFAOYSA-N -1 1 298.350 1.714 20 0 CDADMM O=C(NC12CCC(CC1)CC2)c1cccc(-c2nn[n-]n2)n1 ZINC001606645353 1163945072 /nfs/dbraw/zinc/94/50/72/1163945072.db2.gz VYEHJPLINPLLBI-UHFFFAOYSA-N -1 1 298.350 1.714 20 0 CDADMM O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)c1ccsc1-c1nnn[n-]1 ZINC001606654983 1163948358 /nfs/dbraw/zinc/94/83/58/1163948358.db2.gz AYWYTBLVELBVTB-OYNCUSHFSA-N -1 1 289.364 1.847 20 0 CDADMM O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)c1ccsc1-c1nn[n-]n1 ZINC001606654983 1163948366 /nfs/dbraw/zinc/94/83/66/1163948366.db2.gz AYWYTBLVELBVTB-OYNCUSHFSA-N -1 1 289.364 1.847 20 0 CDADMM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(-c2nnn[n-]2)s1 ZINC001606670037 1163955650 /nfs/dbraw/zinc/95/56/50/1163955650.db2.gz IONJGBJVSPRRLT-HRDYMLBCSA-N -1 1 289.364 1.847 20 0 CDADMM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(-c2nn[n-]n2)s1 ZINC001606670037 1163955654 /nfs/dbraw/zinc/95/56/54/1163955654.db2.gz IONJGBJVSPRRLT-HRDYMLBCSA-N -1 1 289.364 1.847 20 0 CDADMM CO[C@@]1(C(=O)[O-])CCN(Cc2cn3cccc(C)c3n2)C1 ZINC001606707448 1163966357 /nfs/dbraw/zinc/96/63/57/1163966357.db2.gz ZRVYWPIAEFXRNS-HNNXBMFYSA-N -1 1 289.335 1.318 20 0 CDADMM O=C(NCCc1ccco1)c1coc(-c2nnn[n-]2)c1 ZINC001606795996 1163995689 /nfs/dbraw/zinc/99/56/89/1163995689.db2.gz FCFLSCRMGQNJMU-UHFFFAOYSA-N -1 1 273.252 1.025 20 0 CDADMM COCCC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001606851203 1164015053 /nfs/dbraw/zinc/01/50/53/1164015053.db2.gz JSQOACFILVFULY-UHFFFAOYSA-N -1 1 263.253 1.236 20 0 CDADMM O=C(Nc1ccc2c(c1)CCO2)c1ccc(-c2nn[n-]n2)o1 ZINC001606929473 1164032170 /nfs/dbraw/zinc/03/21/70/1164032170.db2.gz ZAETURYMVMHOJG-UHFFFAOYSA-N -1 1 297.274 1.647 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC(CC(F)F)C1 ZINC001607030395 1164063836 /nfs/dbraw/zinc/06/38/36/1164063836.db2.gz CAIXVGGMSSIHGZ-UHFFFAOYSA-N -1 1 283.238 1.187 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC(CC(F)F)C1 ZINC001607030395 1164063839 /nfs/dbraw/zinc/06/38/39/1164063839.db2.gz 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/nfs/dbraw/zinc/09/58/35/1164095835.db2.gz BRISMIXCULWKFN-UHFFFAOYSA-N -1 1 286.339 1.269 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CCOCC3(CCC3)C2)c1 ZINC001607116099 1164095839 /nfs/dbraw/zinc/09/58/39/1164095839.db2.gz BRISMIXCULWKFN-UHFFFAOYSA-N -1 1 286.339 1.269 20 0 CDADMM c1ccc([C@H]2C[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001607131281 1164110369 /nfs/dbraw/zinc/11/03/69/1164110369.db2.gz WTFYSSRTJHZVDT-VXGBXAGGSA-N -1 1 293.334 1.872 20 0 CDADMM c1ccc([C@H]2C[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001607131281 1164110374 /nfs/dbraw/zinc/11/03/74/1164110374.db2.gz WTFYSSRTJHZVDT-VXGBXAGGSA-N -1 1 293.334 1.872 20 0 CDADMM c1cnc([C@@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)nc1 ZINC001607133712 1164112323 /nfs/dbraw/zinc/11/23/23/1164112323.db2.gz MNQMKTHFWDMBDY-NSHDSACASA-N -1 1 295.310 1.010 20 0 CDADMM c1cnc([C@@H](Nc2cncc(-c3nn[n-]n3)n2)C2CC2)nc1 ZINC001607133712 1164112327 /nfs/dbraw/zinc/11/23/27/1164112327.db2.gz MNQMKTHFWDMBDY-NSHDSACASA-N -1 1 295.310 1.010 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@@H]2CCCC3(CC3)C2)n1 ZINC001607133543 1164113515 /nfs/dbraw/zinc/11/35/15/1164113515.db2.gz JVSFNYKZGRGVQA-SECBINFHSA-N -1 1 271.328 1.791 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@@H]2CCCC3(CC3)C2)n1 ZINC001607133543 1164113518 /nfs/dbraw/zinc/11/35/18/1164113518.db2.gz JVSFNYKZGRGVQA-SECBINFHSA-N -1 1 271.328 1.791 20 0 CDADMM c1csc(CN(c2cc(-c3nnn[n-]3)ncn2)C2CC2)c1 ZINC001607136316 1164117219 /nfs/dbraw/zinc/11/72/19/1164117219.db2.gz CMBFGGPGMMPVKL-UHFFFAOYSA-N -1 1 299.363 1.887 20 0 CDADMM c1csc(CN(c2cc(-c3nn[n-]n3)ncn2)C2CC2)c1 ZINC001607136316 1164117225 /nfs/dbraw/zinc/11/72/25/1164117225.db2.gz CMBFGGPGMMPVKL-UHFFFAOYSA-N -1 1 299.363 1.887 20 0 CDADMM COc1cccnc1CNC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001607348815 1164152586 /nfs/dbraw/zinc/15/25/86/1164152586.db2.gz OPJASLIXRVYCSF-XVKPBYJWSA-N -1 1 272.251 1.146 20 0 CDADMM Cc1[nH]c(CNCc2c(C3CC3)cnn2C)cc1C(=O)[O-] ZINC001607497736 1164207914 /nfs/dbraw/zinc/20/79/14/1164207914.db2.gz DRIMLYHGJPTNAY-UHFFFAOYSA-N 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O=C([O-])c1ccoc1C[N@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC001608955036 1164695819 /nfs/dbraw/zinc/69/58/19/1164695819.db2.gz COSFZZSVDZAZAP-MRVPVSSYSA-N -1 1 293.279 1.446 20 0 CDADMM O=C([O-])c1sccc1CN1CC[C@H](N2CCOC2=O)C1 ZINC001609008856 1164721217 /nfs/dbraw/zinc/72/12/17/1164721217.db2.gz OPEDKTYOTIFWJM-JTQLQIEISA-N -1 1 296.348 1.473 20 0 CDADMM CC(C)OCCCN(C)c1ccnc(-c2nnn[n-]2)c1 ZINC001609101487 1164769740 /nfs/dbraw/zinc/76/97/40/1164769740.db2.gz SYZCGKSDFWRWEJ-UHFFFAOYSA-N -1 1 276.344 1.513 20 0 CDADMM CC(C)OCCCN(C)c1ccnc(-c2nn[n-]n2)c1 ZINC001609101487 1164769745 /nfs/dbraw/zinc/76/97/45/1164769745.db2.gz SYZCGKSDFWRWEJ-UHFFFAOYSA-N -1 1 276.344 1.513 20 0 CDADMM CC1(C)[C@@H]2CN(C(=O)c3csc(-c4nn[n-]n4)c3)C[C@@H]21 ZINC001609143142 1164789560 /nfs/dbraw/zinc/78/95/60/1164789560.db2.gz AZWRTHMJDHRMDK-DTORHVGOSA-N -1 1 289.364 1.656 20 0 CDADMM C[C@@H]1CN=C(NC(=O)c2ccc(-c3nnn[n-]3)s2)S1 ZINC001609176989 1164817805 /nfs/dbraw/zinc/81/78/05/1164817805.db2.gz KQGYNBCOIPCOFL-RXMQYKEDSA-N -1 1 294.365 1.149 20 0 CDADMM C[C@@H]1CN=C(NC(=O)c2ccc(-c3nn[n-]n3)s2)S1 ZINC001609176989 1164817808 /nfs/dbraw/zinc/81/78/08/1164817808.db2.gz KQGYNBCOIPCOFL-RXMQYKEDSA-N -1 1 294.365 1.149 20 0 CDADMM CC[C@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)[C@@H](C)CO1 ZINC001609203094 1164841553 /nfs/dbraw/zinc/84/15/53/1164841553.db2.gz XODCEYABFFXFAH-IUCAKERBSA-N -1 1 294.384 1.323 20 0 CDADMM CC[C@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)[C@@H](C)CO1 ZINC001609203094 1164841555 /nfs/dbraw/zinc/84/15/55/1164841555.db2.gz XODCEYABFFXFAH-IUCAKERBSA-N -1 1 294.384 1.323 20 0 CDADMM CO[C@H](C)[C@@H](C)NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609308475 1164887180 /nfs/dbraw/zinc/88/71/80/1164887180.db2.gz NAHBVVHKIXHXBV-HTQZYQBOSA-N -1 1 293.302 1.159 20 0 CDADMM CO[C@H](C)[C@@H](C)NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609308475 1164887190 /nfs/dbraw/zinc/88/71/90/1164887190.db2.gz NAHBVVHKIXHXBV-HTQZYQBOSA-N -1 1 293.302 1.159 20 0 CDADMM COCC(C)(C)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609316868 1164896590 /nfs/dbraw/zinc/89/65/90/1164896590.db2.gz QWEUCHVLOCUANV-UHFFFAOYSA-N -1 1 281.341 1.083 20 0 CDADMM Cc1cc(CNc2n[nH]c(C)c2-c2nnn[n-]2)c(C)o1 ZINC001609401378 1164931547 /nfs/dbraw/zinc/93/15/47/1164931547.db2.gz IHYMGWCFYFKLLL-UHFFFAOYSA-N -1 1 273.300 1.720 20 0 CDADMM Cc1cc(CNc2n[nH]c(C)c2-c2nn[n-]n2)c(C)o1 ZINC001609401378 1164931550 /nfs/dbraw/zinc/93/15/50/1164931550.db2.gz IHYMGWCFYFKLLL-UHFFFAOYSA-N -1 1 273.300 1.720 20 0 CDADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)o2)c[nH]c1=O ZINC001609408426 1164933945 /nfs/dbraw/zinc/93/39/45/1164933945.db2.gz UKXNGWJENMAPMQ-UHFFFAOYSA-N -1 1 286.251 1.121 20 0 CDADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c[nH]c1=O ZINC001609408426 1164933949 /nfs/dbraw/zinc/93/39/49/1164933949.db2.gz UKXNGWJENMAPMQ-UHFFFAOYSA-N -1 1 286.251 1.121 20 0 CDADMM Cc1ccoc1C(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001609439656 1164948111 /nfs/dbraw/zinc/94/81/11/1164948111.db2.gz VVRYHKSPKYGEFK-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1ccoc1C(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001609439656 1164948114 /nfs/dbraw/zinc/94/81/14/1164948114.db2.gz VVRYHKSPKYGEFK-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1ncsc1CN(C)c1cccnc1-c1nnn[n-]1 ZINC001609457684 1164959011 /nfs/dbraw/zinc/95/90/11/1164959011.db2.gz OIQGXKUWXFWSEC-UHFFFAOYSA-N -1 1 287.352 1.663 20 0 CDADMM Cc1ncsc1CN(C)c1cccnc1-c1nn[n-]n1 ZINC001609457684 1164959019 /nfs/dbraw/zinc/95/90/19/1164959019.db2.gz OIQGXKUWXFWSEC-UHFFFAOYSA-N -1 1 287.352 1.663 20 0 CDADMM FC(F)CC1CN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001609485714 1164969531 /nfs/dbraw/zinc/96/95/31/1164969531.db2.gz SZXXNXJIXIOXAL-UHFFFAOYSA-N -1 1 266.255 1.353 20 0 CDADMM FC(F)CC1CN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001609485714 1164969540 /nfs/dbraw/zinc/96/95/40/1164969540.db2.gz SZXXNXJIXIOXAL-UHFFFAOYSA-N -1 1 266.255 1.353 20 0 CDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)CC1CC1 ZINC001609529528 1164982864 /nfs/dbraw/zinc/98/28/64/1164982864.db2.gz RCEBOEHLHLSFIJ-UHFFFAOYSA-N -1 1 292.320 1.454 20 0 CDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)CC1CC1 ZINC001609529528 1164982870 /nfs/dbraw/zinc/98/28/70/1164982870.db2.gz RCEBOEHLHLSFIJ-UHFFFAOYSA-N -1 1 292.320 1.454 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H](C2CCC2)C1 ZINC001609581549 1164995548 /nfs/dbraw/zinc/99/55/48/1164995548.db2.gz RHOAYOHESQNNRR-LBPRGKRZSA-N -1 1 298.350 1.524 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H](C2CCC2)C1 ZINC001609581549 1164995557 /nfs/dbraw/zinc/99/55/57/1164995557.db2.gz RHOAYOHESQNNRR-LBPRGKRZSA-N -1 1 298.350 1.524 20 0 CDADMM OCCCC1CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001609609569 1165005197 /nfs/dbraw/zinc/00/51/97/1165005197.db2.gz LMEODOUMEZIGTM-UHFFFAOYSA-N -1 1 288.355 1.251 20 0 CDADMM OCCCC1CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001609609569 1165005203 /nfs/dbraw/zinc/00/52/03/1165005203.db2.gz LMEODOUMEZIGTM-UHFFFAOYSA-N -1 1 288.355 1.251 20 0 CDADMM c1nc(N2C[C@@H](C3CC3)[C@H]2C2CC2)cnc1-c1nnn[n-]1 ZINC001609620955 1165018241 /nfs/dbraw/zinc/01/82/41/1165018241.db2.gz KMPVRIQQOWYKOM-GXFFZTMASA-N -1 1 283.339 1.282 20 0 CDADMM c1nc(N2C[C@@H](C3CC3)[C@H]2C2CC2)cnc1-c1nn[n-]n1 ZINC001609620955 1165018245 /nfs/dbraw/zinc/01/82/45/1165018245.db2.gz KMPVRIQQOWYKOM-GXFFZTMASA-N -1 1 283.339 1.282 20 0 CDADMM C[C@@H]1OCC[C@@H]1N(CCO)Cc1cc(C(=O)[O-])ccc1F ZINC001609879650 1165127167 /nfs/dbraw/zinc/12/71/67/1165127167.db2.gz FOMWNZRHSQSFJM-HZMBPMFUSA-N -1 1 297.326 1.496 20 0 CDADMM C[N@@H+]1CCN(Cc2cccc([O-])c2Cl)C[C@@H](C(=O)[O-])C1 ZINC001610137765 1165231077 /nfs/dbraw/zinc/23/10/77/1165231077.db2.gz HWAWETPVFRUMJS-NSHDSACASA-N -1 1 298.770 1.494 20 0 CDADMM C[N@H+]1CCN(Cc2cccc([O-])c2Cl)C[C@@H](C(=O)[O-])C1 ZINC001610137765 1165231080 /nfs/dbraw/zinc/23/10/80/1165231080.db2.gz HWAWETPVFRUMJS-NSHDSACASA-N -1 1 298.770 1.494 20 0 CDADMM COC/C(C)=C/C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001610243225 1165268582 /nfs/dbraw/zinc/26/85/82/1165268582.db2.gz JTMVILCUUHYDIL-SOFGYWHQSA-N -1 1 289.291 1.792 20 0 CDADMM Cc1nc([C@@H](C)OC(=O)c2cscc2C(=O)[O-])n[nH]1 ZINC001610548580 1165350473 /nfs/dbraw/zinc/35/04/73/1165350473.db2.gz TZTJCJKCDNOKEN-RXMQYKEDSA-N -1 1 281.293 1.791 20 0 CDADMM O=C([O-])[C@H]1[C@@H](CN2CCOC3(CCCC3)C2)C1(F)F ZINC001610731376 1165420886 /nfs/dbraw/zinc/42/08/86/1165420886.db2.gz LFZOFBITUFRXNG-NXEZZACHSA-N -1 1 275.295 1.597 20 0 CDADMM O=C([O-])[C@H]1C[C@H](O)CN1Cc1coc2ccccc12 ZINC001610734103 1165422512 /nfs/dbraw/zinc/42/25/12/1165422512.db2.gz DSJQZOZFTIRXEF-CMPLNLGQSA-N -1 1 261.277 1.453 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)[C@@H]3CCCOC3)[nH]c21 ZINC001610850198 1165462148 /nfs/dbraw/zinc/46/21/48/1165462148.db2.gz SUCUQBCZCQEEBS-MRVPVSSYSA-N -1 1 289.291 1.626 20 0 CDADMM CNC(=O)[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000042253792 1166053520 /nfs/dbraw/zinc/05/35/20/1166053520.db2.gz YPECUSMSMIVATK-LLVKDONJSA-N -1 1 296.754 1.786 20 0 CDADMM COc1cc(F)cc(NC(=O)c2n[nH]c(C)c2[O-])c1 ZINC001631590404 1166288278 /nfs/dbraw/zinc/28/82/78/1166288278.db2.gz ZORDBADPEHQPDT-UHFFFAOYSA-N -1 1 265.244 1.824 20 0 CDADMM Cc1nncn1-c1cccc(NC(=O)c2ccc([O-])cn2)c1 ZINC001631938236 1166316710 /nfs/dbraw/zinc/31/67/10/1166316710.db2.gz LNXZPGUWDAPMAL-UHFFFAOYSA-N -1 1 295.302 1.929 20 0 CDADMM O=C(CCc1nnc[nH]1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001634381936 1166496656 /nfs/dbraw/zinc/49/66/56/1166496656.db2.gz SISOKEOGTYSBCQ-UHFFFAOYSA-N -1 1 298.306 1.267 20 0 CDADMM O=C(NCc1c[nH]c(=O)[nH]1)c1ccc2ccc(O)cc2c1[O-] ZINC001637002883 1166713322 /nfs/dbraw/zinc/71/33/22/1166713322.db2.gz RTPBRPFCPKGBMM-UHFFFAOYSA-N -1 1 299.286 1.610 20 0 CDADMM O=C(NCc1ccc(CO)cc1)c1ccc([O-])cn1 ZINC001639902240 1166974832 /nfs/dbraw/zinc/97/48/32/1166974832.db2.gz BBYKKTAMIXGSCU-UHFFFAOYSA-N -1 1 258.277 1.210 20 0 CDADMM COc1cccc(C(=O)Nc2c[n-][nH]c2=O)c1OC ZINC001641598371 1167123118 /nfs/dbraw/zinc/12/31/18/1167123118.db2.gz WMFYEPYYZZQECO-UHFFFAOYSA-N -1 1 263.253 1.385 20 0 CDADMM CCc1nnc(C(=O)Nc2c(C)[n-][nH]c2=O)s1 ZINC001641715220 1167130378 /nfs/dbraw/zinc/13/03/78/1167130378.db2.gz AJGUNMRBRIZKFD-UHFFFAOYSA-N -1 1 253.287 1.090 20 0 CDADMM CC(C)[N@@H+](CC(=O)[O-])Cc1ccccc1C(=O)[O-] ZINC001609704516 1167947658 /nfs/dbraw/zinc/94/76/58/1167947658.db2.gz VAYXCAMTDWJOOV-UHFFFAOYSA-N -1 1 251.282 1.680 20 0 CDADMM O=C(Nc1cnc2ccnn2c1)c1ccc([O-])c(F)c1 ZINC001647900823 1169072783 /nfs/dbraw/zinc/07/27/83/1169072783.db2.gz GFJIZRRJERIENF-UHFFFAOYSA-N -1 1 272.239 1.826 20 0 CDADMM CN(C(=O)C1(c2cccc(F)c2)CCCC1)c1nn[n-]n1 ZINC001650000038 1169587452 /nfs/dbraw/zinc/58/74/52/1169587452.db2.gz SVOZYFSWBPKANK-UHFFFAOYSA-N -1 1 289.314 1.814 20 0 CDADMM COc1nccc(C[N@H+]2C3CCC(CC3)[C@H]2C(=O)[O-])n1 ZINC001574055836 1170873197 /nfs/dbraw/zinc/87/31/97/1170873197.db2.gz WUZFVKCUPPQHEE-NHNAUAITSA-N -1 1 277.324 1.313 20 0 CDADMM O=C([O-])c1cn[nH]c1[C@H]1CCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC001574415937 1170976954 /nfs/dbraw/zinc/97/69/54/1170976954.db2.gz YQZRWBYMPPMUFA-FEUHOPSXSA-N -1 1 289.335 1.614 20 0 CDADMM O=C([O-])c1n[nH]c(CN[C@H]2Cc3ccc(Cl)cc3C2)n1 ZINC001574422515 1170977581 /nfs/dbraw/zinc/97/75/81/1170977581.db2.gz FGLNJNSOBVWSJO-JTQLQIEISA-N -1 1 292.726 1.413 20 0 CDADMM COc1cccc(-c2cc(C(=O)Nc3c[n-][nH]c3=O)[nH]n2)c1 ZINC001654603509 1171623589 /nfs/dbraw/zinc/62/35/89/1171623589.db2.gz QUFATTADZOOOOC-UHFFFAOYSA-N -1 1 299.290 1.766 20 0 CDADMM Cc1ccoc1COC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001581306460 1172603493 /nfs/dbraw/zinc/60/34/93/1172603493.db2.gz UJCNFMCISSAHKI-UHFFFAOYSA-N -1 1 299.290 1.449 20 0 CDADMM Cc1ccoc1COC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001581306460 1172603497 /nfs/dbraw/zinc/60/34/97/1172603497.db2.gz UJCNFMCISSAHKI-UHFFFAOYSA-N -1 1 299.290 1.449 20 0 CDADMM Cc1nnc(C(=O)[N-]c2n[nH]c(-c3ccncc3)n2)s1 ZINC001584090581 1172802083 /nfs/dbraw/zinc/80/20/83/1172802083.db2.gz SLOJACYLGQOZTI-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM CCc1ccc(-c2cc(C(=O)N(C)c3nn[n-]n3)no2)cc1 ZINC001586262546 1172938579 /nfs/dbraw/zinc/93/85/79/1172938579.db2.gz XIRBRMFEGBWADP-UHFFFAOYSA-N -1 1 298.306 1.694 20 0 CDADMM CC(C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1)=C1CCC1 ZINC001588943374 1173116932 /nfs/dbraw/zinc/11/69/32/1173116932.db2.gz LMRCJTPOWIWWDD-UHFFFAOYSA-N -1 1 284.323 1.725 20 0 CDADMM CC(C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1)=C1CCC1 ZINC001588943374 1173116935 /nfs/dbraw/zinc/11/69/35/1173116935.db2.gz LMRCJTPOWIWWDD-UHFFFAOYSA-N -1 1 284.323 1.725 20 0 CDADMM C[C@H](C(=O)NCc1nc(-c2nnn[n-]2)cs1)C1CCC1 ZINC001588999940 1173117791 /nfs/dbraw/zinc/11/77/91/1173117791.db2.gz RIMOWGJBQHYFDJ-ZETCQYMHSA-N -1 1 292.368 1.376 20 0 CDADMM C[C@H](C(=O)NCc1nc(-c2nn[n-]n2)cs1)C1CCC1 ZINC001588999940 1173117795 /nfs/dbraw/zinc/11/77/95/1173117795.db2.gz RIMOWGJBQHYFDJ-ZETCQYMHSA-N -1 1 292.368 1.376 20 0 CDADMM CC(C)(C)[C@@H]1CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001589104894 1173124196 /nfs/dbraw/zinc/12/41/96/1173124196.db2.gz JJGCMKXDGMOJGI-VIFPVBQESA-N -1 1 259.317 1.282 20 0 CDADMM CC(C)(C)[C@@H]1CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001589104894 1173124202 /nfs/dbraw/zinc/12/42/02/1173124202.db2.gz JJGCMKXDGMOJGI-VIFPVBQESA-N -1 1 259.317 1.282 20 0 CDADMM CC(C)=CCCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589377812 1173142196 /nfs/dbraw/zinc/14/21/96/1173142196.db2.gz WVBWVHODFFCGNM-UHFFFAOYSA-N -1 1 272.312 1.348 20 0 CDADMM CC(C)=CCCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589377812 1173142200 /nfs/dbraw/zinc/14/22/00/1173142200.db2.gz WVBWVHODFFCGNM-UHFFFAOYSA-N -1 1 272.312 1.348 20 0 CDADMM CC(C)OCCCOc1cccnc1-c1nnn[n-]1 ZINC001589747281 1173173193 /nfs/dbraw/zinc/17/31/93/1173173193.db2.gz NEFIPIXRXLHMAI-UHFFFAOYSA-N -1 1 263.301 1.456 20 0 CDADMM CC(C)OCCCOc1cccnc1-c1nn[n-]n1 ZINC001589747281 1173173197 /nfs/dbraw/zinc/17/31/97/1173173197.db2.gz NEFIPIXRXLHMAI-UHFFFAOYSA-N -1 1 263.301 1.456 20 0 CDADMM C[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)[C@@H](O)c1ccccc1 ZINC001589979911 1173220966 /nfs/dbraw/zinc/22/09/66/1173220966.db2.gz CDPHYAGWTCBKBC-NOZJJQNGSA-N -1 1 297.322 1.191 20 0 CDADMM C[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)[C@@H](O)c1ccccc1 ZINC001589979911 1173220971 /nfs/dbraw/zinc/22/09/71/1173220971.db2.gz CDPHYAGWTCBKBC-NOZJJQNGSA-N -1 1 297.322 1.191 20 0 CDADMM C[C@H](O)C[C@H]1CCCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001589995445 1173227798 /nfs/dbraw/zinc/22/77/98/1173227798.db2.gz DUOHZSMMPFTUSZ-WDEREUQCSA-N -1 1 288.355 1.392 20 0 CDADMM C[C@H](O)C[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001589995445 1173227805 /nfs/dbraw/zinc/22/78/05/1173227805.db2.gz DUOHZSMMPFTUSZ-WDEREUQCSA-N -1 1 288.355 1.392 20 0 CDADMM CC1(C)CCC[C@@]1(O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001590097751 1173257456 /nfs/dbraw/zinc/25/74/56/1173257456.db2.gz NBIAZMXLJFTWKA-CYBMUJFWSA-N -1 1 289.343 1.010 20 0 CDADMM CC1(C)CCC[C@@]1(O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001590097751 1173257458 /nfs/dbraw/zinc/25/74/58/1173257458.db2.gz NBIAZMXLJFTWKA-CYBMUJFWSA-N -1 1 289.343 1.010 20 0 CDADMM CC1(C)CCCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001590097172 1173258127 /nfs/dbraw/zinc/25/81/27/1173258127.db2.gz PHCOESJRIPBDOL-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM C[C@@]1(CCNc2cc(-c3nnn[n-]3)ncn2)C[C@]1(F)Cl ZINC001590127646 1173264989 /nfs/dbraw/zinc/26/49/89/1173264989.db2.gz QKFQSXUQAKSITI-GHMZBOCLSA-N -1 1 297.725 1.773 20 0 CDADMM C[C@@]1(NC(=O)c2coc(-c3nnn[n-]3)c2)CC=CCC1 ZINC001590146230 1173273042 /nfs/dbraw/zinc/27/30/42/1173273042.db2.gz RZWKYEGJGKDGPB-CYBMUJFWSA-N -1 1 273.296 1.688 20 0 CDADMM C[C@@H]1C[C@@H](NC(=O)c2ccsc2-c2nnn[n-]2)[C@@H](C)O1 ZINC001590203896 1173290472 /nfs/dbraw/zinc/29/04/72/1173290472.db2.gz XHEWYZPQCROOCZ-ZXFLCMHBSA-N -1 1 293.352 1.224 20 0 CDADMM C[C@@H]1C[C@@H](NC(=O)c2ccsc2-c2nn[n-]n2)[C@@H](C)O1 ZINC001590203896 1173290478 /nfs/dbraw/zinc/29/04/78/1173290478.db2.gz XHEWYZPQCROOCZ-ZXFLCMHBSA-N -1 1 293.352 1.224 20 0 CDADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590217101 1173294488 /nfs/dbraw/zinc/29/44/88/1173294488.db2.gz ABBUKJOZWAYGJU-SNVBAGLBSA-N -1 1 298.350 1.666 20 0 CDADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590217101 1173294492 /nfs/dbraw/zinc/29/44/92/1173294492.db2.gz ABBUKJOZWAYGJU-SNVBAGLBSA-N -1 1 298.350 1.666 20 0 CDADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001590216897 1173294506 /nfs/dbraw/zinc/29/45/06/1173294506.db2.gz BBEIDASLYXLUQU-GRLWKWRFSA-N -1 1 299.334 1.803 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001590221640 1173301316 /nfs/dbraw/zinc/30/13/16/1173301316.db2.gz BIQACYDTJDHPBR-SFYZADRCSA-N -1 1 292.368 1.376 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001590221640 1173301324 /nfs/dbraw/zinc/30/13/24/1173301324.db2.gz BIQACYDTJDHPBR-SFYZADRCSA-N -1 1 292.368 1.376 20 0 CDADMM C[C@H]1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)O1 ZINC001590244549 1173318166 /nfs/dbraw/zinc/31/81/66/1173318166.db2.gz TZKJZVMHUVYQJI-IUCAKERBSA-N -1 1 275.316 1.026 20 0 CDADMM C[C@H]1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)O1 ZINC001590244549 1173318173 /nfs/dbraw/zinc/31/81/73/1173318173.db2.gz TZKJZVMHUVYQJI-IUCAKERBSA-N -1 1 275.316 1.026 20 0 CDADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H](C)C1(F)F ZINC001590316748 1173350514 /nfs/dbraw/zinc/35/05/14/1173350514.db2.gz QDKHJWGZCBLEIS-OCAPTIKFSA-N -1 1 295.297 1.384 20 0 CDADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H](C)C1(F)F ZINC001590316748 1173350519 /nfs/dbraw/zinc/35/05/19/1173350519.db2.gz QDKHJWGZCBLEIS-OCAPTIKFSA-N -1 1 295.297 1.384 20 0 CDADMM C[C@@H]1OCC[C@@H]1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590339785 1173364039 /nfs/dbraw/zinc/36/40/39/1173364039.db2.gz WLNPKQUBBAHRFP-JGVFFNPUSA-N -1 1 294.336 1.510 20 0 CDADMM C[C@@H]1OCC[C@@H]1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590339785 1173364046 /nfs/dbraw/zinc/36/40/46/1173364046.db2.gz WLNPKQUBBAHRFP-JGVFFNPUSA-N -1 1 294.336 1.510 20 0 CDADMM CCC(C)(C)c1cn(Cc2ccnc(-c3nnn[n-]3)c2)nn1 ZINC001590379928 1173379328 /nfs/dbraw/zinc/37/93/28/1173379328.db2.gz IQPSBRZFQWPJQI-UHFFFAOYSA-N -1 1 298.354 1.589 20 0 CDADMM CCC(C)(C)c1cn(Cc2ccnc(-c3nn[n-]n3)c2)nn1 ZINC001590379928 1173379334 /nfs/dbraw/zinc/37/93/34/1173379334.db2.gz IQPSBRZFQWPJQI-UHFFFAOYSA-N -1 1 298.354 1.589 20 0 CDADMM CCCn1cc(Nc2nc(C)cc(-c3nnn[n-]3)n2)cn1 ZINC001590663900 1173483010 /nfs/dbraw/zinc/48/30/10/1173483010.db2.gz AXRUZNCHHZSZJI-UHFFFAOYSA-N -1 1 285.315 1.315 20 0 CDADMM CCCn1cc(Nc2nc(C)cc(-c3nn[n-]n3)n2)cn1 ZINC001590663900 1173483013 /nfs/dbraw/zinc/48/30/13/1173483013.db2.gz AXRUZNCHHZSZJI-UHFFFAOYSA-N -1 1 285.315 1.315 20 0 CDADMM CCOC(=O)[C@H](C)CNc1ccc(C)nc1-c1nnn[n-]1 ZINC001590751959 1173506939 /nfs/dbraw/zinc/50/69/39/1173506939.db2.gz RWJMRQSRFHQPGO-MRVPVSSYSA-N -1 1 290.327 1.181 20 0 CDADMM CCOC(=O)[C@H](C)CNc1ccc(C)nc1-c1nn[n-]n1 ZINC001590751959 1173506948 /nfs/dbraw/zinc/50/69/48/1173506948.db2.gz RWJMRQSRFHQPGO-MRVPVSSYSA-N -1 1 290.327 1.181 20 0 CDADMM CCc1ccccc1Cn1cnc(-c2nn[n-]n2)cc1=O ZINC001590897489 1173536174 /nfs/dbraw/zinc/53/61/74/1173536174.db2.gz GTETURZKMWHFJW-UHFFFAOYSA-N -1 1 282.307 1.034 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC(CC3CC3)C2)n1 ZINC001590905068 1173538088 /nfs/dbraw/zinc/53/80/88/1173538088.db2.gz PKVULYGGUICFFE-UHFFFAOYSA-N -1 1 285.355 1.455 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC(CC3CC3)C2)n1 ZINC001590905068 1173538094 /nfs/dbraw/zinc/53/80/94/1173538094.db2.gz PKVULYGGUICFFE-UHFFFAOYSA-N -1 1 285.355 1.455 20 0 CDADMM CCc1nc(N[C@@H](C)CCCCO)cc(-c2nnn[n-]2)n1 ZINC001590914493 1173540496 /nfs/dbraw/zinc/54/04/96/1173540496.db2.gz ACZSVUQMGLPPPZ-VIFPVBQESA-N -1 1 291.359 1.182 20 0 CDADMM CCc1nc(N[C@@H](C)CCCCO)cc(-c2nn[n-]n2)n1 ZINC001590914493 1173540504 /nfs/dbraw/zinc/54/05/04/1173540504.db2.gz ACZSVUQMGLPPPZ-VIFPVBQESA-N -1 1 291.359 1.182 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCC[C@@H]2C)n1 ZINC001590907524 1173541361 /nfs/dbraw/zinc/54/13/61/1173541361.db2.gz LYGFFUXVXGJFOD-VIFPVBQESA-N -1 1 273.344 1.598 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCC[C@@H]2C)n1 ZINC001590907524 1173541364 /nfs/dbraw/zinc/54/13/64/1173541364.db2.gz LYGFFUXVXGJFOD-VIFPVBQESA-N -1 1 273.344 1.598 20 0 CDADMM CCc1nc(NCc2ccc(C)cn2)cc(-c2nnn[n-]2)n1 ZINC001590923012 1173543189 /nfs/dbraw/zinc/54/31/89/1173543189.db2.gz IHFRBGIAZTUKRD-UHFFFAOYSA-N -1 1 296.338 1.535 20 0 CDADMM CCc1nc(NCc2ccc(C)cn2)cc(-c2nn[n-]n2)n1 ZINC001590923012 1173543195 /nfs/dbraw/zinc/54/31/95/1173543195.db2.gz IHFRBGIAZTUKRD-UHFFFAOYSA-N -1 1 296.338 1.535 20 0 CDADMM CCn1ccc(CN(C)c2nccnc2-c2nnn[n-]2)c1 ZINC001590958403 1173551018 /nfs/dbraw/zinc/55/10/18/1173551018.db2.gz ISIJLODRZZPKGQ-UHFFFAOYSA-N -1 1 284.327 1.115 20 0 CDADMM CCn1ccc(CN(C)c2nccnc2-c2nn[n-]n2)c1 ZINC001590958403 1173551024 /nfs/dbraw/zinc/55/10/24/1173551024.db2.gz ISIJLODRZZPKGQ-UHFFFAOYSA-N -1 1 284.327 1.115 20 0 CDADMM COC(C)(C)c1noc(-c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001591314332 1173602318 /nfs/dbraw/zinc/60/23/18/1173602318.db2.gz NDHIYGLJNKGILT-UHFFFAOYSA-N -1 1 287.283 1.193 20 0 CDADMM COC(C)(C)c1noc(-c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001591314332 1173602325 /nfs/dbraw/zinc/60/23/25/1173602325.db2.gz NDHIYGLJNKGILT-UHFFFAOYSA-N -1 1 287.283 1.193 20 0 CDADMM COC(C)(C)CC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001591317390 1173603568 /nfs/dbraw/zinc/60/35/68/1173603568.db2.gz ZLWSPLFRYCFPDM-UHFFFAOYSA-N -1 1 282.329 1.077 20 0 CDADMM COC(C)(C)CC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001591317390 1173603570 /nfs/dbraw/zinc/60/35/70/1173603570.db2.gz ZLWSPLFRYCFPDM-UHFFFAOYSA-N -1 1 282.329 1.077 20 0 CDADMM CO[C@H](C)[C@@H](C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001591323849 1173609450 /nfs/dbraw/zinc/60/94/50/1173609450.db2.gz FOUKDBBFIOZNAX-RNFRBKRXSA-N -1 1 282.735 1.750 20 0 CDADMM CO[C@H](C)[C@@H](C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001591323849 1173609456 /nfs/dbraw/zinc/60/94/56/1173609456.db2.gz FOUKDBBFIOZNAX-RNFRBKRXSA-N -1 1 282.735 1.750 20 0 CDADMM CO[C@H](Cn1ccnc1-c1nnn[n-]1)C1CCCCC1 ZINC001591334936 1173614570 /nfs/dbraw/zinc/61/45/70/1173614570.db2.gz SANNZUCXKNHQHO-LLVKDONJSA-N -1 1 276.344 1.659 20 0 CDADMM CO[C@H](Cn1ccnc1-c1nn[n-]n1)C1CCCCC1 ZINC001591334936 1173614572 /nfs/dbraw/zinc/61/45/72/1173614572.db2.gz SANNZUCXKNHQHO-LLVKDONJSA-N -1 1 276.344 1.659 20 0 CDADMM CO[C@H](Cn1ccc(-c2nn[n-]n2)cc1=O)C1CCCC1 ZINC001591335004 1173615380 /nfs/dbraw/zinc/61/53/80/1173615380.db2.gz TULDVYGIJKRNCT-GFCCVEGCSA-N -1 1 289.339 1.234 20 0 CDADMM CO[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCC2 ZINC001591350258 1173622062 /nfs/dbraw/zinc/62/20/62/1173622062.db2.gz QJZJICGBCXCDEL-NXEZZACHSA-N -1 1 287.327 1.026 20 0 CDADMM CO[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCC2 ZINC001591350258 1173622067 /nfs/dbraw/zinc/62/20/67/1173622067.db2.gz QJZJICGBCXCDEL-NXEZZACHSA-N -1 1 287.327 1.026 20 0 CDADMM COc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)o1 ZINC001591573820 1173670207 /nfs/dbraw/zinc/67/02/07/1173670207.db2.gz IAGDRRBJBCJEMK-UHFFFAOYSA-N -1 1 286.251 1.116 20 0 CDADMM COc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)o1 ZINC001591573820 1173670212 /nfs/dbraw/zinc/67/02/12/1173670212.db2.gz IAGDRRBJBCJEMK-UHFFFAOYSA-N -1 1 286.251 1.116 20 0 CDADMM C[C@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001591778779 1173701105 /nfs/dbraw/zinc/70/11/05/1173701105.db2.gz KRASDPJZIOACOH-VIFPVBQESA-N -1 1 287.327 1.526 20 0 CDADMM C[C@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001591778779 1173701111 /nfs/dbraw/zinc/70/11/11/1173701111.db2.gz KRASDPJZIOACOH-VIFPVBQESA-N -1 1 287.327 1.526 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2C[C@@H]3CCC[C@H]23)n1 ZINC001591892755 1173742011 /nfs/dbraw/zinc/74/20/11/1173742011.db2.gz LQWDZBSKKIMRCP-LPEHRKFASA-N -1 1 271.328 1.566 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2C[C@@H]3CCC[C@H]23)n1 ZINC001591892755 1173742015 /nfs/dbraw/zinc/74/20/15/1173742015.db2.gz LQWDZBSKKIMRCP-LPEHRKFASA-N -1 1 271.328 1.566 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)n1 ZINC001591894855 1173742043 /nfs/dbraw/zinc/74/20/43/1173742043.db2.gz AXVCTZNOQLRPSU-ASXGKARISA-N -1 1 285.355 1.669 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)n1 ZINC001591894855 1173742049 /nfs/dbraw/zinc/74/20/49/1173742049.db2.gz AXVCTZNOQLRPSU-ASXGKARISA-N -1 1 285.355 1.669 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(Nc2cnn(C3CCC3)c2)n1 ZINC001591903772 1173744750 /nfs/dbraw/zinc/74/47/50/1173744750.db2.gz SFSNFNFMFCOVGK-UHFFFAOYSA-N -1 1 297.326 1.630 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(Nc2cnn(C3CCC3)c2)n1 ZINC001591903772 1173744753 /nfs/dbraw/zinc/74/47/53/1173744753.db2.gz SFSNFNFMFCOVGK-UHFFFAOYSA-N -1 1 297.326 1.630 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1ccnc(C)c1 ZINC001591965335 1173757378 /nfs/dbraw/zinc/75/73/78/1173757378.db2.gz AZVDFDLAMMYJAF-UHFFFAOYSA-N -1 1 298.306 1.402 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1ccnc(C)c1 ZINC001591965335 1173757386 /nfs/dbraw/zinc/75/73/86/1173757386.db2.gz AZVDFDLAMMYJAF-UHFFFAOYSA-N -1 1 298.306 1.402 20 0 CDADMM Cc1cc(N[C@H](C)CC[S@](C)=O)nc(-c2nnn[n-]2)c1 ZINC001592035166 1173778588 /nfs/dbraw/zinc/77/85/88/1173778588.db2.gz YOZPNWNCJKXGNV-YBYGRFCBSA-N -1 1 294.384 1.139 20 0 CDADMM Cc1cc(N[C@H](C)CC[S@](C)=O)nc(-c2nn[n-]n2)c1 ZINC001592035166 1173778592 /nfs/dbraw/zinc/77/85/92/1173778592.db2.gz YOZPNWNCJKXGNV-YBYGRFCBSA-N -1 1 294.384 1.139 20 0 CDADMM Cc1cc(NC2C[C@@H](C)O[C@H](C)C2)nc(-c2nnn[n-]2)c1 ZINC001592036041 1173778970 /nfs/dbraw/zinc/77/89/70/1173778970.db2.gz IIYWZZZBAOWTRN-NXEZZACHSA-N -1 1 288.355 1.938 20 0 CDADMM Cc1cc(NC2C[C@@H](C)O[C@H](C)C2)nc(-c2nn[n-]n2)c1 ZINC001592036041 1173778975 /nfs/dbraw/zinc/77/89/75/1173778975.db2.gz IIYWZZZBAOWTRN-NXEZZACHSA-N -1 1 288.355 1.938 20 0 CDADMM Cc1cc(NCC2(C)CCOCC2)nc(-c2nnn[n-]2)c1 ZINC001592042639 1173785033 /nfs/dbraw/zinc/78/50/33/1173785033.db2.gz LBMZVTVWYPLUMY-UHFFFAOYSA-N -1 1 288.355 1.799 20 0 CDADMM Cc1cc(NCC2(C)CCOCC2)nc(-c2nn[n-]n2)c1 ZINC001592042639 1173785038 /nfs/dbraw/zinc/78/50/38/1173785038.db2.gz LBMZVTVWYPLUMY-UHFFFAOYSA-N -1 1 288.355 1.799 20 0 CDADMM Cc1ccc([C@H](O)COc2cccnc2-c2nnn[n-]2)cc1 ZINC001592137227 1173813407 /nfs/dbraw/zinc/81/34/07/1173813407.db2.gz FCHIPUMHVHZHRT-GFCCVEGCSA-N -1 1 297.318 1.683 20 0 CDADMM Cc1ccc([C@H](O)COc2cccnc2-c2nn[n-]n2)cc1 ZINC001592137227 1173813417 /nfs/dbraw/zinc/81/34/17/1173813417.db2.gz FCHIPUMHVHZHRT-GFCCVEGCSA-N -1 1 297.318 1.683 20 0 CDADMM Cc1ccc(F)cc1COc1cnc(-c2nn[n-]n2)nc1 ZINC001592173426 1173821299 /nfs/dbraw/zinc/82/12/99/1173821299.db2.gz QJTAMJWTVIQVFS-UHFFFAOYSA-N -1 1 286.270 1.683 20 0 CDADMM Cc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)o2)o1 ZINC001592168106 1173821555 /nfs/dbraw/zinc/82/15/55/1173821555.db2.gz WCRQJQUAGXAVGZ-UHFFFAOYSA-N -1 1 274.236 1.718 20 0 CDADMM Cc1ccc(N2CCOCC3(CC3)C2)c(-c2nnn[n-]2)n1 ZINC001592177033 1173822399 /nfs/dbraw/zinc/82/23/99/1173822399.db2.gz INNKSGOISDNHEW-UHFFFAOYSA-N -1 1 286.339 1.187 20 0 CDADMM Cc1ccc(N2CCOCC3(CC3)C2)c(-c2nn[n-]n2)n1 ZINC001592177033 1173822403 /nfs/dbraw/zinc/82/24/03/1173822403.db2.gz INNKSGOISDNHEW-UHFFFAOYSA-N -1 1 286.339 1.187 20 0 CDADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)o2)nc1 ZINC001592182659 1173825879 /nfs/dbraw/zinc/82/58/79/1173825879.db2.gz QDBPWFLBELXGLI-UHFFFAOYSA-N -1 1 270.252 1.415 20 0 CDADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)nc1 ZINC001592182659 1173825884 /nfs/dbraw/zinc/82/58/84/1173825884.db2.gz QDBPWFLBELXGLI-UHFFFAOYSA-N -1 1 270.252 1.415 20 0 CDADMM Cc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC001592186231 1173830737 /nfs/dbraw/zinc/83/07/37/1173830737.db2.gz GMLVSJLKWNXDME-UHFFFAOYSA-N -1 1 299.265 1.928 20 0 CDADMM Cc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1F ZINC001592186231 1173830742 /nfs/dbraw/zinc/83/07/42/1173830742.db2.gz GMLVSJLKWNXDME-UHFFFAOYSA-N -1 1 299.265 1.928 20 0 CDADMM Cc1cccc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)c1F ZINC001592235327 1173835315 /nfs/dbraw/zinc/83/53/15/1173835315.db2.gz JLHYNWSLXUNCLB-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1cccc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)c1F ZINC001592235327 1173835320 /nfs/dbraw/zinc/83/53/20/1173835320.db2.gz JLHYNWSLXUNCLB-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1cccc(F)c1CNc1ncncc1-c1nn[n-]n1 ZINC001592233005 1173835893 /nfs/dbraw/zinc/83/58/93/1173835893.db2.gz ZECYPLRQYAHDKC-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1ccn(CCC[C@@H]2CCOC2)c(=O)c1-c1nn[n-]n1 ZINC001592266810 1173838652 /nfs/dbraw/zinc/83/86/52/1173838652.db2.gz XVVQRVHGMDTEGO-LLVKDONJSA-N -1 1 289.339 1.154 20 0 CDADMM Cc1ccoc1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001592282434 1173846647 /nfs/dbraw/zinc/84/66/47/1173846647.db2.gz RYJYVUCPRPESAY-UHFFFAOYSA-N -1 1 271.284 1.195 20 0 CDADMM Cc1[nH]nc(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)c1-c1nn[n-]n1 ZINC001592328917 1173857845 /nfs/dbraw/zinc/85/78/45/1173857845.db2.gz ZKLFAWHRCLHVHK-XHNCKOQMSA-N -1 1 287.327 1.273 20 0 CDADMM Cc1nc(C)c(COC(=O)c2ccc(-c3nn[n-]n3)o2)o1 ZINC001592357730 1173867782 /nfs/dbraw/zinc/86/77/82/1173867782.db2.gz WKDMDJAJGYNKQH-UHFFFAOYSA-N -1 1 289.251 1.422 20 0 CDADMM Cc1nc(CNc2ncncc2-c2nn[n-]n2)cs1 ZINC001592361311 1173868499 /nfs/dbraw/zinc/86/84/99/1173868499.db2.gz JKCVMXLWGARKJV-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM Cc1nsc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1-c1nn[n-]n1 ZINC001592493864 1173904574 /nfs/dbraw/zinc/90/45/74/1173904574.db2.gz WWHQCJIHNAQXBA-KUIGQIJESA-N -1 1 290.352 1.219 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@H]1CC=CCC1 ZINC001592503125 1173907647 /nfs/dbraw/zinc/90/76/47/1173907647.db2.gz RLSHNELFXOWZLG-SNVBAGLBSA-N -1 1 287.323 1.854 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@H]1CC=CCC1 ZINC001592503125 1173907654 /nfs/dbraw/zinc/90/76/54/1173907654.db2.gz RLSHNELFXOWZLG-SNVBAGLBSA-N -1 1 287.323 1.854 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@H]1CCCCO1 ZINC001592503451 1173908117 /nfs/dbraw/zinc/90/81/17/1173908117.db2.gz UXEPXPZIAHWOPH-SECBINFHSA-N -1 1 291.311 1.067 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@H]1CCCCO1 ZINC001592503451 1173908127 /nfs/dbraw/zinc/90/81/27/1173908127.db2.gz UXEPXPZIAHWOPH-SECBINFHSA-N -1 1 291.311 1.067 20 0 CDADMM Cl/C=C(/Cl)Cn1ccn2ncc(-c3nn[n-]n3)c12 ZINC001592523397 1173910610 /nfs/dbraw/zinc/91/06/10/1173910610.db2.gz QTPCAPGCJOBABE-ZZXKWVIFSA-N -1 1 284.110 1.635 20 0 CDADMM Clc1cccc(COc2cnc(-c3nn[n-]n3)nc2)n1 ZINC001592534744 1173912992 /nfs/dbraw/zinc/91/29/92/1173912992.db2.gz UINSHYTULUCKKP-UHFFFAOYSA-N -1 1 289.686 1.284 20 0 CDADMM F[C@@H]1CCCC[C@@H]1Nc1cccnc1-c1nnn[n-]1 ZINC001592632547 1173944407 /nfs/dbraw/zinc/94/44/07/1173944407.db2.gz JPPBQJFIWROFAH-BDAKNGLRSA-N -1 1 262.292 1.954 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CC(CC2CC2)C1 ZINC001592913730 1174002261 /nfs/dbraw/zinc/00/22/61/1174002261.db2.gz OWPSUDAERWYDPH-UHFFFAOYSA-N -1 1 298.350 1.063 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CC(CC2CC2)C1 ZINC001592913730 1174002271 /nfs/dbraw/zinc/00/22/71/1174002271.db2.gz OWPSUDAERWYDPH-UHFFFAOYSA-N -1 1 298.350 1.063 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@H]1CCCS1 ZINC001593132874 1174024068 /nfs/dbraw/zinc/02/40/68/1174024068.db2.gz BAWGJGCZIBYZGA-SECBINFHSA-N -1 1 295.393 1.440 20 0 CDADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NC1CCCC1 ZINC001593151252 1174027218 /nfs/dbraw/zinc/02/72/18/1174027218.db2.gz SRRVSBFNUROUQN-UHFFFAOYSA-N -1 1 293.356 1.065 20 0 CDADMM O=C(NOCc1ccccc1)c1coc(-c2nnn[n-]2)c1 ZINC001593171532 1174028819 /nfs/dbraw/zinc/02/88/19/1174028819.db2.gz ZTJRAQQARPDQDE-UHFFFAOYSA-N -1 1 285.263 1.321 20 0 CDADMM O=C(NOCc1ccccc1)c1coc(-c2nn[n-]n2)c1 ZINC001593171532 1174028829 /nfs/dbraw/zinc/02/88/29/1174028829.db2.gz ZTJRAQQARPDQDE-UHFFFAOYSA-N -1 1 285.263 1.321 20 0 CDADMM O=C(N[C@@H]1C[C@H]1c1ccco1)c1ccc(-c2nnn[n-]2)o1 ZINC001593180826 1174030173 /nfs/dbraw/zinc/03/01/73/1174030173.db2.gz QSXOOQYHUIXSRU-HTQZYQBOSA-N -1 1 285.263 1.339 20 0 CDADMM O=C(N[C@@H]1C[C@H]1c1ccco1)c1ccc(-c2nn[n-]n2)o1 ZINC001593180826 1174030177 /nfs/dbraw/zinc/03/01/77/1174030177.db2.gz QSXOOQYHUIXSRU-HTQZYQBOSA-N -1 1 285.263 1.339 20 0 CDADMM O=C(Nc1cc(C2CC2)[nH]n1)c1ccc(-c2nn[n-]n2)o1 ZINC001593205134 1174032400 /nfs/dbraw/zinc/03/24/00/1174032400.db2.gz FMVKNHCHHAMTJV-UHFFFAOYSA-N -1 1 285.267 1.313 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC001593243565 1174037723 /nfs/dbraw/zinc/03/77/23/1174037723.db2.gz GUIMXMJCYCWNLL-WCABBAIRSA-N -1 1 299.338 1.572 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC001593243565 1174037731 /nfs/dbraw/zinc/03/77/31/1174037731.db2.gz GUIMXMJCYCWNLL-WCABBAIRSA-N -1 1 299.338 1.572 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1C=CCC1 ZINC001593254948 1174038943 /nfs/dbraw/zinc/03/89/43/1174038943.db2.gz ANJIIOCRFJXNJJ-MRVPVSSYSA-N -1 1 271.284 1.102 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1C=CCC1 ZINC001593254948 1174038952 /nfs/dbraw/zinc/03/89/52/1174038952.db2.gz ANJIIOCRFJXNJJ-MRVPVSSYSA-N -1 1 271.284 1.102 20 0 CDADMM O=C(Nc1cccc(O)c1)c1coc(-c2nnn[n-]2)c1 ZINC001593249063 1174039893 /nfs/dbraw/zinc/03/98/93/1174039893.db2.gz SFEMEJZBMNVBKM-UHFFFAOYSA-N -1 1 271.236 1.418 20 0 CDADMM O=C(Nc1cccc(O)c1)c1coc(-c2nn[n-]n2)c1 ZINC001593249063 1174039899 /nfs/dbraw/zinc/03/98/99/1174039899.db2.gz SFEMEJZBMNVBKM-UHFFFAOYSA-N -1 1 271.236 1.418 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1CCCC12CC2 ZINC001593256161 1174040527 /nfs/dbraw/zinc/04/05/27/1174040527.db2.gz OTALPNGVURSAHP-LLVKDONJSA-N -1 1 299.338 1.716 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1CCCC12CC2 ZINC001593256161 1174040535 /nfs/dbraw/zinc/04/05/35/1174040535.db2.gz OTALPNGVURSAHP-LLVKDONJSA-N -1 1 299.338 1.716 20 0 CDADMM O=C([O-])C[C@H]1CCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)o1 ZINC001593276175 1174046131 /nfs/dbraw/zinc/04/61/31/1174046131.db2.gz HLYLNZSNFYTVHK-SECBINFHSA-N -1 1 291.311 1.289 20 0 CDADMM O=C([O-])C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[n-]n2)o1 ZINC001593276175 1174046153 /nfs/dbraw/zinc/04/61/53/1174046153.db2.gz HLYLNZSNFYTVHK-SECBINFHSA-N -1 1 291.311 1.289 20 0 CDADMM O=C([O-])C[C@H]1CCCC[N@H+]1Cc1ccc(-c2nn[n-]n2)o1 ZINC001593276175 1174046161 /nfs/dbraw/zinc/04/61/61/1174046161.db2.gz HLYLNZSNFYTVHK-SECBINFHSA-N -1 1 291.311 1.289 20 0 CDADMM O=C(Nc1nccc2cc[nH]c21)c1coc(-c2nnn[n-]2)c1 ZINC001593267979 1174046860 /nfs/dbraw/zinc/04/68/60/1174046860.db2.gz KEFYNHTVYFSQOR-UHFFFAOYSA-N -1 1 295.262 1.588 20 0 CDADMM O=C(Nc1nccc2cc[nH]c21)c1coc(-c2nn[n-]n2)c1 ZINC001593267979 1174046865 /nfs/dbraw/zinc/04/68/65/1174046865.db2.gz KEFYNHTVYFSQOR-UHFFFAOYSA-N -1 1 295.262 1.588 20 0 CDADMM O=C(COC(=O)c1coc(-c2nnn[n-]2)c1)C1CCCC1 ZINC001593281353 1174049044 /nfs/dbraw/zinc/04/90/44/1174049044.db2.gz VKONLJCCTJUCMD-UHFFFAOYSA-N -1 1 290.279 1.376 20 0 CDADMM O=C(COC(=O)c1coc(-c2nn[n-]n2)c1)C1CCCC1 ZINC001593281353 1174049050 /nfs/dbraw/zinc/04/90/50/1174049050.db2.gz VKONLJCCTJUCMD-UHFFFAOYSA-N -1 1 290.279 1.376 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCSC1 ZINC001593337952 1174065189 /nfs/dbraw/zinc/06/51/89/1174065189.db2.gz BFOSWSVIOFYNCQ-UHFFFAOYSA-N -1 1 281.366 1.465 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCSC1 ZINC001593337952 1174065191 /nfs/dbraw/zinc/06/51/91/1174065191.db2.gz BFOSWSVIOFYNCQ-UHFFFAOYSA-N -1 1 281.366 1.465 20 0 CDADMM O=C(Oc1ccc(F)cc1)c1coc(-c2nnn[n-]2)c1 ZINC001593307932 1174063283 /nfs/dbraw/zinc/06/32/83/1174063283.db2.gz OCKPBBMMSHQLOD-UHFFFAOYSA-N -1 1 274.211 1.818 20 0 CDADMM O=C(Oc1ccc(F)cc1)c1coc(-c2nn[n-]n2)c1 ZINC001593307932 1174063290 /nfs/dbraw/zinc/06/32/90/1174063290.db2.gz OCKPBBMMSHQLOD-UHFFFAOYSA-N -1 1 274.211 1.818 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCc2ccccc21 ZINC001593369519 1174071401 /nfs/dbraw/zinc/07/14/01/1174071401.db2.gz LQZMQDGDEQLGRV-UHFFFAOYSA-N -1 1 281.275 1.663 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCc2ccccc21 ZINC001593369519 1174071407 /nfs/dbraw/zinc/07/14/07/1174071407.db2.gz LQZMQDGDEQLGRV-UHFFFAOYSA-N -1 1 281.275 1.663 20 0 CDADMM OCCCCSc1cccc(F)c1-c1nn[n-]n1 ZINC001593531325 1174106305 /nfs/dbraw/zinc/10/63/05/1174106305.db2.gz JDEOVTFWWUCECM-UHFFFAOYSA-N -1 1 268.317 1.870 20 0 CDADMM c1cc2c(o1)CCCN(c1cccc(-c3nnn[n-]3)n1)C2 ZINC001593549707 1174120925 /nfs/dbraw/zinc/12/09/25/1174120925.db2.gz BPFMZDWEAQKDIX-UHFFFAOYSA-N -1 1 282.307 1.808 20 0 CDADMM c1cc2c(o1)CCCN(c1cccc(-c3nn[n-]n3)n1)C2 ZINC001593549707 1174120927 /nfs/dbraw/zinc/12/09/27/1174120927.db2.gz BPFMZDWEAQKDIX-UHFFFAOYSA-N -1 1 282.307 1.808 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC[C@@H]1C[C@@H]1C1CCCC1 ZINC001593550925 1174124052 /nfs/dbraw/zinc/12/40/52/1174124052.db2.gz DWGZKYXHYQZTNC-WDEREUQCSA-N -1 1 285.355 1.895 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC[C@@H]1C[C@@H]1C1CCCC1 ZINC001593550925 1174124058 /nfs/dbraw/zinc/12/40/58/1174124058.db2.gz DWGZKYXHYQZTNC-WDEREUQCSA-N -1 1 285.355 1.895 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC[C@]12C[C@H]1COC21CCC1 ZINC001593552079 1174126019 /nfs/dbraw/zinc/12/60/19/1174126019.db2.gz UGUXWLUTRLRWKO-TVQRCGJNSA-N -1 1 299.338 1.028 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC[C@]12C[C@H]1COC21CCC1 ZINC001593552079 1174126024 /nfs/dbraw/zinc/12/60/24/1174126024.db2.gz UGUXWLUTRLRWKO-TVQRCGJNSA-N -1 1 299.338 1.028 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC[C@H]1CC[C@H](C2CC2)O1 ZINC001593552135 1174127378 /nfs/dbraw/zinc/12/73/78/1174127378.db2.gz WLCAGYILDBDNRF-MWLCHTKSSA-N -1 1 287.327 1.026 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC[C@H]1CC[C@H](C2CC2)O1 ZINC001593552135 1174127382 /nfs/dbraw/zinc/12/73/82/1174127382.db2.gz WLCAGYILDBDNRF-MWLCHTKSSA-N -1 1 287.327 1.026 20 0 CDADMM c1cc(N2CCC[C@@H](C3CCC3)C2)nc(-c2nn[n-]n2)n1 ZINC001593558357 1174133065 /nfs/dbraw/zinc/13/30/65/1174133065.db2.gz DDQMZDWHRWBTGM-LLVKDONJSA-N -1 1 285.355 1.673 20 0 CDADMM c1cc2cc(Nc3ccnc(-c4nnn[n-]4)c3)ccc2[nH]1 ZINC001593562027 1174137453 /nfs/dbraw/zinc/13/74/53/1174137453.db2.gz ZLADEKIHAMRHCZ-UHFFFAOYSA-N -1 1 277.291 1.909 20 0 CDADMM c1cc2cc(Nc3ccnc(-c4nn[n-]n4)c3)ccc2[nH]1 ZINC001593562027 1174137456 /nfs/dbraw/zinc/13/74/56/1174137456.db2.gz ZLADEKIHAMRHCZ-UHFFFAOYSA-N -1 1 277.291 1.909 20 0 CDADMM c1cncc(CN(c2cnc(-c3nnn[n-]3)cn2)C2CC2)c1 ZINC001593587466 1174156061 /nfs/dbraw/zinc/15/60/61/1174156061.db2.gz HMCGAEVCTWWZLK-UHFFFAOYSA-N -1 1 294.322 1.221 20 0 CDADMM c1cncc(CN(c2cnc(-c3nn[n-]n3)cn2)C2CC2)c1 ZINC001593587466 1174156067 /nfs/dbraw/zinc/15/60/67/1174156067.db2.gz HMCGAEVCTWWZLK-UHFFFAOYSA-N -1 1 294.322 1.221 20 0 CDADMM c1coc([C@@H]2CCN(c3ccnc(-c4nnn[n-]4)c3)C2)c1 ZINC001593589611 1174156196 /nfs/dbraw/zinc/15/61/96/1174156196.db2.gz HEHHFCCZONZPEB-SNVBAGLBSA-N -1 1 282.307 1.849 20 0 CDADMM c1coc([C@@H]2CCN(c3ccnc(-c4nn[n-]n4)c3)C2)c1 ZINC001593589611 1174156200 /nfs/dbraw/zinc/15/62/00/1174156200.db2.gz HEHHFCCZONZPEB-SNVBAGLBSA-N -1 1 282.307 1.849 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CCC[C@@H]3CCC[C@H]32)n1 ZINC001593590102 1174158100 /nfs/dbraw/zinc/15/81/00/1174158100.db2.gz GGUZKISCGKXVPA-GXSJLCMTSA-N -1 1 271.328 1.426 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CCC[C@@H]3CCC[C@H]32)n1 ZINC001593590102 1174158103 /nfs/dbraw/zinc/15/81/03/1174158103.db2.gz GGUZKISCGKXVPA-GXSJLCMTSA-N -1 1 271.328 1.426 20 0 CDADMM c1nc(N[C@]23C[C@H]2CCCC3)cc(-c2nnn[n-]2)n1 ZINC001593591321 1174159219 /nfs/dbraw/zinc/15/92/19/1174159219.db2.gz NESQNGIDZPHTFW-PRHODGIISA-N -1 1 257.301 1.401 20 0 CDADMM c1nc(N[C@]23C[C@H]2CCCC3)cc(-c2nn[n-]n2)n1 ZINC001593591321 1174159221 /nfs/dbraw/zinc/15/92/21/1174159221.db2.gz NESQNGIDZPHTFW-PRHODGIISA-N -1 1 257.301 1.401 20 0 CDADMM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@H]2N1Cc1ccnn1C ZINC001594338951 1174182052 /nfs/dbraw/zinc/18/20/52/1174182052.db2.gz GIMJUBGOKRMHDL-FOUMNBMASA-N -1 1 279.340 1.015 20 0 CDADMM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@H]2N1Cc1cccc(F)n1 ZINC001594341056 1174182493 /nfs/dbraw/zinc/18/24/93/1174182493.db2.gz RRZJSJOZMHUWHO-XEZLXBQYSA-N -1 1 294.326 1.816 20 0 CDADMM Cc1cc(C(=O)CN2CC[C@@H](C(=O)[O-])C[C@H]2C)c(C)[nH]1 ZINC001600077185 1174353960 /nfs/dbraw/zinc/35/39/60/1174353960.db2.gz VLDMACHKLBNBMA-ZYHUDNBSSA-N -1 1 278.352 1.999 20 0 CDADMM Cc1cc(C(=O)[O-])ccc1NC(=O)CCc1nc[nH]n1 ZINC001600117107 1174365950 /nfs/dbraw/zinc/36/59/50/1174365950.db2.gz SFOAMJVILWVEBR-UHFFFAOYSA-N -1 1 274.280 1.383 20 0 CDADMM Cc1cc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)oc1C(=O)[O-] ZINC001600192512 1174399363 /nfs/dbraw/zinc/39/93/63/1174399363.db2.gz RNPFWGHEEWPLGV-MVWJERBFSA-N -1 1 292.335 1.372 20 0 CDADMM Cc1cc(NC(=O)[C@H](C)N2CC[C@@H](C(=O)[O-])[C@@H]2C)on1 ZINC001600249693 1174422378 /nfs/dbraw/zinc/42/23/78/1174422378.db2.gz LBMVCDHXJOWSKZ-LPEHRKFASA-N -1 1 281.312 1.105 20 0 CDADMM Cc1ccc(C(=O)N2CCN(C)[C@@H](C)[C@@H]2C)cc1C(=O)[O-] ZINC001600333700 1174445961 /nfs/dbraw/zinc/44/59/61/1174445961.db2.gz JXZSTYNMZYJXLY-RYUDHWBXSA-N -1 1 290.363 1.858 20 0 CDADMM Cc1ncc(NC(=O)N2CCC[N@H+](C)CC2)cc1C(=O)[O-] ZINC001600740249 1174585747 /nfs/dbraw/zinc/58/57/47/1174585747.db2.gz MMQDEPZXICORMG-UHFFFAOYSA-N -1 1 292.339 1.258 20 0 CDADMM Cc1ncc(NC(=O)N2CCCN(C)CC2)cc1C(=O)[O-] ZINC001600740249 1174585754 /nfs/dbraw/zinc/58/57/54/1174585754.db2.gz MMQDEPZXICORMG-UHFFFAOYSA-N -1 1 292.339 1.258 20 0 CDADMM Cn1cc(CNCc2cncc(O)c2)cc1C(=O)[O-] ZINC001600954067 1174678445 /nfs/dbraw/zinc/67/84/45/1174678445.db2.gz CJKLMHQHEIREKH-UHFFFAOYSA-N -1 1 261.281 1.114 20 0 CDADMM O=C1[N-]C(=O)C(=Cc2ccc(-c3nn[nH]n3)cc2)S1 ZINC000103621035 1174683673 /nfs/dbraw/zinc/68/36/73/1174683673.db2.gz RZZQOAUQRSXHJG-VMPITWQZSA-N -1 1 273.277 1.191 20 0 CDADMM O=C([O-])C1(NC(=O)c2[nH]ncc2F)CCCCCC1 ZINC001601430870 1174869116 /nfs/dbraw/zinc/86/91/16/1174869116.db2.gz ZHKVEDMBDFREEU-UHFFFAOYSA-N -1 1 269.276 1.456 20 0 CDADMM O=C([O-])C1(CNC(=O)[C@H]2CC[N@H+]2C2CCCC2)CCCC1 ZINC001601470468 1174878518 /nfs/dbraw/zinc/87/85/18/1174878518.db2.gz QUWKULICANXBEI-CYBMUJFWSA-N -1 1 294.395 1.765 20 0 CDADMM O=C([O-])C1(CNC(=O)[C@H]2CCN2C2CCCC2)CCCC1 ZINC001601470468 1174878524 /nfs/dbraw/zinc/87/85/24/1174878524.db2.gz QUWKULICANXBEI-CYBMUJFWSA-N -1 1 294.395 1.765 20 0 CDADMM O=C([O-])[C@H](CF)NCc1cnn(-c2ccccc2)c1 ZINC001601651397 1174931271 /nfs/dbraw/zinc/93/12/71/1174931271.db2.gz UOPDRMXAEKRRJM-LBPRGKRZSA-N -1 1 263.272 1.385 20 0 CDADMM O=C([O-])/C=C\c1ccc(CN2CC[C@H](n3cncn3)C2)o1 ZINC001601879303 1175049553 /nfs/dbraw/zinc/04/95/53/1175049553.db2.gz IEHLEBOZHSITRX-BYCRGOAPSA-N -1 1 288.307 1.416 20 0 CDADMM O=C([O-])CC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC001601887474 1175052007 /nfs/dbraw/zinc/05/20/07/1175052007.db2.gz OWZSMLIDTRUYBP-OAHLLOKOSA-N -1 1 285.303 1.359 20 0 CDADMM O=C([O-])COc1ccccc1CNC/C=C/Cl ZINC001602095552 1175129163 /nfs/dbraw/zinc/12/91/63/1175129163.db2.gz ZQVZOGWNFIYADF-ZZXKWVIFSA-N -1 1 255.701 1.992 20 0 CDADMM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@H]2CCc3nc[nH]c3C2)CC1 ZINC001602213568 1175169232 /nfs/dbraw/zinc/16/92/32/1175169232.db2.gz QNNWKQMIRSZSFV-DCAQKATOSA-N -1 1 291.351 1.274 20 0 CDADMM O=C([O-])c1ccc(Cl)c(CN[C@]2(CO)CCOC2)c1 ZINC001602356675 1175223315 /nfs/dbraw/zinc/22/33/15/1175223315.db2.gz DEUDMFMKBNTIDD-ZDUSSCGKSA-N -1 1 285.727 1.279 20 0 CDADMM O=C([O-])c1ccc(NC(=O)[C@@H]2CCCc3n[nH]nc32)cc1 ZINC001602373489 1175226434 /nfs/dbraw/zinc/22/64/34/1175226434.db2.gz JCRHDTUGDXEUGR-SNVBAGLBSA-N -1 1 286.291 1.562 20 0 CDADMM O=C([O-])c1ccc2c(c1)N(C(=O)Cc1nc[nH]n1)CCC2 ZINC001602422685 1175234419 /nfs/dbraw/zinc/23/44/19/1175234419.db2.gz DFRIQTQLAMZHIU-UHFFFAOYSA-N -1 1 286.291 1.025 20 0 CDADMM O=C([O-])c1ccnc(N[C@H](c2nnc[nH]2)c2ccccc2)n1 ZINC001602482934 1175255029 /nfs/dbraw/zinc/25/50/29/1175255029.db2.gz SIPVTYAPDJMABO-NSHDSACASA-N -1 1 296.290 1.494 20 0 CDADMM O=C([O-])c1ccoc1C[N@H+]1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001602486338 1175259007 /nfs/dbraw/zinc/25/90/07/1175259007.db2.gz WWQLOJUEVUFELN-QMMMGPOBSA-N -1 1 292.295 1.181 20 0 CDADMM O=C([O-])c1cnc(CN2CC[C@H](c3ccccn3)C2)cn1 ZINC001602520136 1175268613 /nfs/dbraw/zinc/26/86/13/1175268613.db2.gz ZRLVFFMIDFDYIS-NSHDSACASA-N -1 1 284.319 1.559 20 0 CDADMM O=C([O-])c1cnoc1CN1CC[C@@H](Oc2ccncc2)C1 ZINC001602546539 1175285855 /nfs/dbraw/zinc/28/58/55/1175285855.db2.gz ROVSOMWASJZWRK-LLVKDONJSA-N -1 1 289.291 1.421 20 0 CDADMM O=C([O-])c1coc(C(=O)OCc2ccc3[nH]nnc3c2)c1 ZINC001602551357 1175290461 /nfs/dbraw/zinc/29/04/61/1175290461.db2.gz COJXRAOUOVKPSV-UHFFFAOYSA-N -1 1 287.231 1.606 20 0 CDADMM O=C([O-])c1coc(C(=O)OCc2ccc3nn[nH]c3c2)c1 ZINC001602551357 1175290463 /nfs/dbraw/zinc/29/04/63/1175290463.db2.gz COJXRAOUOVKPSV-UHFFFAOYSA-N -1 1 287.231 1.606 20 0 CDADMM C/C(=C/C(=O)[O-])CN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC001602957066 1175457853 /nfs/dbraw/zinc/45/78/53/1175457853.db2.gz DHEKADWTDZDHNH-KSHIFHCESA-N -1 1 269.732 1.814 20 0 CDADMM CC(C)(CC(F)F)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603137523 1175499291 /nfs/dbraw/zinc/49/92/91/1175499291.db2.gz ZSSJCHAOVWIOEL-UHFFFAOYSA-N -1 1 296.281 1.882 20 0 CDADMM CC(C)(CC(F)F)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603137523 1175499296 /nfs/dbraw/zinc/49/92/96/1175499296.db2.gz ZSSJCHAOVWIOEL-UHFFFAOYSA-N -1 1 296.281 1.882 20 0 CDADMM CC(C)[C@@]1(C)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001603238334 1175521814 /nfs/dbraw/zinc/52/18/14/1175521814.db2.gz MMXWOMSZTUULBG-JOYOIKCWSA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)[C@@]1(C)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001603238334 1175521819 /nfs/dbraw/zinc/52/18/19/1175521819.db2.gz MMXWOMSZTUULBG-JOYOIKCWSA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)C[C@@H](C)C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001603259281 1175528479 /nfs/dbraw/zinc/52/84/79/1175528479.db2.gz FSLKNCJBHIDBTK-SNVBAGLBSA-N -1 1 289.339 1.987 20 0 CDADMM CC(C)C[C@@H](C)C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001603259281 1175528483 /nfs/dbraw/zinc/52/84/83/1175528483.db2.gz FSLKNCJBHIDBTK-SNVBAGLBSA-N -1 1 289.339 1.987 20 0 CDADMM CC(C)C[C@@H]1CCCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001603270568 1175530231 /nfs/dbraw/zinc/53/02/31/1175530231.db2.gz RWWDKADCHQCONI-NSHDSACASA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)c1noc(COc2cccnc2-c2nnn[n-]2)n1 ZINC001603421710 1175551643 /nfs/dbraw/zinc/55/16/43/1175551643.db2.gz ZUUWYXMCRFQQNP-UHFFFAOYSA-N -1 1 287.283 1.347 20 0 CDADMM CC(C)c1noc(COc2cccnc2-c2nn[n-]n2)n1 ZINC001603421710 1175551650 /nfs/dbraw/zinc/55/16/50/1175551650.db2.gz ZUUWYXMCRFQQNP-UHFFFAOYSA-N -1 1 287.283 1.347 20 0 CDADMM C[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)C1CCOCC1 ZINC001603648355 1175586180 /nfs/dbraw/zinc/58/61/80/1175586180.db2.gz FXMSESBHQWSKQW-MRVPVSSYSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC001603648355 1175586186 /nfs/dbraw/zinc/58/61/86/1175586186.db2.gz FXMSESBHQWSKQW-MRVPVSSYSA-N -1 1 291.311 1.005 20 0 CDADMM CC1(C)OCC[C@@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 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CC[C@@H](NC(=O)c1cccc(F)c1-c1nnn[n-]1)C(F)F ZINC001604051976 1175734937 /nfs/dbraw/zinc/73/49/37/1175734937.db2.gz YQOMCWFDLDWASK-MRVPVSSYSA-N -1 1 299.256 1.779 20 0 CDADMM CC[C@@H](NC(=O)c1cccc(F)c1-c1nn[n-]n1)C(F)F ZINC001604051976 1175734944 /nfs/dbraw/zinc/73/49/44/1175734944.db2.gz YQOMCWFDLDWASK-MRVPVSSYSA-N -1 1 299.256 1.779 20 0 CDADMM CC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)[C@H](CC)CO1 ZINC001604111840 1175768878 /nfs/dbraw/zinc/76/88/78/1175768878.db2.gz LGGODJUTPRCGGO-NXEZZACHSA-N -1 1 289.343 1.051 20 0 CDADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C1(C#N)CCC1 ZINC000160501114 1178438858 /nfs/dbraw/zinc/43/88/58/1178438858.db2.gz KWXUDEZAOCNTLZ-UHFFFAOYSA-N -1 1 288.760 1.107 20 0 CDADMM O=C(c1cncc([O-])c1)N1CC[C@H]2OCCC[C@H]2C1 ZINC000178817587 1182200056 /nfs/dbraw/zinc/20/00/56/1182200056.db2.gz FPLMXRWWJHWBDO-GXFFZTMASA-N -1 1 262.309 1.428 20 0 CDADMM COC[C@@H]1CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001771907642 1186944014 /nfs/dbraw/zinc/94/40/14/1186944014.db2.gz 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COCCC(C)(C)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609320781 1164901323 /nfs/dbraw/zinc/90/13/23/1164901323.db2.gz AZKXTMPTCRQVAB-UHFFFAOYSA-N -1 1 290.327 1.263 20 0 CDADMM COCCC(C)(C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609320781 1164901331 /nfs/dbraw/zinc/90/13/31/1164901331.db2.gz AZKXTMPTCRQVAB-UHFFFAOYSA-N -1 1 290.327 1.263 20 0 CDADMM Cc1occc1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609470846 1164964531 /nfs/dbraw/zinc/96/45/31/1164964531.db2.gz XMBCWTIWGSCTHR-UHFFFAOYSA-N -1 1 273.252 1.291 20 0 CDADMM Cc1occc1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609470846 1164964537 /nfs/dbraw/zinc/96/45/37/1164964537.db2.gz XMBCWTIWGSCTHR-UHFFFAOYSA-N -1 1 273.252 1.291 20 0 CDADMM C[C@@H](CC(=O)N1CCC(c2n[n-]c(=O)o2)CC1)C1CC1 ZINC000820063960 751368821 /nfs/dbraw/zinc/36/88/21/751368821.db2.gz PLBCPXYFHBSBFV-VIFPVBQESA-N -1 1 279.340 1.917 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NC[C@H]1CCCSC1 ZINC001609621186 1165018787 /nfs/dbraw/zinc/01/87/87/1165018787.db2.gz UDYUKKGSRJAZJU-MRVPVSSYSA-N -1 1 277.357 1.212 20 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O=C([O-])c1cc(CN[C@@H]2CCc3ccccc32)[nH]n1 ZINC001119539401 925369100 /nfs/dbraw/zinc/36/91/00/925369100.db2.gz SSZNFYVSOZNXNV-GFCCVEGCSA-N -1 1 257.293 1.885 20 0 CDADMM C=CS(=O)(=O)[N-]c1cc(F)ccc1C(=O)OCC ZINC001198609875 925476804 /nfs/dbraw/zinc/47/68/04/925476804.db2.gz AUONUZCOGABOPT-UHFFFAOYSA-N -1 1 273.285 1.888 20 0 CDADMM Cn1c2ccccc2nc1C(=O)Nc1ncccc1[O-] ZINC000082272545 925770546 /nfs/dbraw/zinc/77/05/46/925770546.db2.gz JNXZZBGPNALIJX-UHFFFAOYSA-N -1 1 268.276 1.926 20 0 CDADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CCCNC1=O ZINC000826559638 925904169 /nfs/dbraw/zinc/90/41/69/925904169.db2.gz XJDYPOWUJMETAL-SSDOTTSWSA-N -1 1 270.235 1.135 20 0 CDADMM C[C@H](Sc1ccc(F)cc1)C(=O)N(C)c1nn[n-]n1 ZINC000825532348 926165413 /nfs/dbraw/zinc/16/54/13/926165413.db2.gz VQRQZZISXGNGDE-ZETCQYMHSA-N -1 1 281.316 1.482 20 0 CDADMM CCCCCCNC(=S)NCC[P@](=O)([O-])O ZINC001200959457 926170981 /nfs/dbraw/zinc/17/09/81/926170981.db2.gz BKUPSUJPYUJUSQ-UHFFFAOYSA-N -1 1 268.319 1.209 20 0 CDADMM C[C@H](CN(C)C(=O)/C=C\CCc1ccccc1)c1nn[n-]n1 ZINC000867381011 926186778 /nfs/dbraw/zinc/18/67/78/926186778.db2.gz MISZMLHGPUNKDE-LWMSPQMPSA-N -1 1 299.378 1.951 20 0 CDADMM CC(=O)CCC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001142751172 937061878 /nfs/dbraw/zinc/06/18/78/937061878.db2.gz MMNBRLWNXDZHRD-UHFFFAOYSA-N -1 1 273.292 1.886 20 0 CDADMM O=C(NC(=O)c1ccccc1)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001202463628 926580068 /nfs/dbraw/zinc/58/00/68/926580068.db2.gz QSWQTCCAFMFXKO-UHFFFAOYSA-N -1 1 298.262 1.020 20 0 CDADMM CC[C@@H](CNC(=O)c1ncccc1[O-])Nc1ncccn1 ZINC001103069399 937119728 /nfs/dbraw/zinc/11/97/28/937119728.db2.gz RTDHODGQKNFVIT-JTQLQIEISA-N -1 1 287.323 1.198 20 0 CDADMM O=C(NC[C@H](O)CF)c1ccc2cccnc2c1[O-] ZINC001149330408 937170776 /nfs/dbraw/zinc/17/07/76/937170776.db2.gz YYUSNJGHBKVWDQ-SECBINFHSA-N -1 1 264.256 1.001 20 0 CDADMM Cn1cnc(NC(=O)c2cc3cccc(O)c3cc2[O-])n1 ZINC001149644564 937196889 /nfs/dbraw/zinc/19/68/89/937196889.db2.gz CCHWTMWNQBOZKH-UHFFFAOYSA-N -1 1 284.275 1.632 20 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CC(C)(C)C[C@H](O)C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001589118076 1173124888 /nfs/dbraw/zinc/12/48/88/1173124888.db2.gz ANTCVJLITUCKRG-VIFPVBQESA-N -1 1 294.311 1.300 20 0 CDADMM CC(C)(C)C[C@H](O)C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001589118076 1173124891 /nfs/dbraw/zinc/12/48/91/1173124891.db2.gz ANTCVJLITUCKRG-VIFPVBQESA-N -1 1 294.311 1.300 20 0 CDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001589132505 1173126053 /nfs/dbraw/zinc/12/60/53/1173126053.db2.gz FPIQCTDSIABAQT-JGVFFNPUSA-N -1 1 289.343 1.601 20 0 CDADMM CC(C)C(C)(C)CNc1cc(-c2nnn[n-]2)ncn1 ZINC001589425148 1173144263 /nfs/dbraw/zinc/14/42/63/1173144263.db2.gz AHRSULKECXAXSW-UHFFFAOYSA-N -1 1 261.333 1.751 20 0 CDADMM CC(C)C(C)(C)CNc1cc(-c2nn[n-]n2)ncn1 ZINC001589425148 1173144266 /nfs/dbraw/zinc/14/42/66/1173144266.db2.gz AHRSULKECXAXSW-UHFFFAOYSA-N -1 1 261.333 1.751 20 0 CDADMM C[C@@H]1C[C@@H](CNC(=O)c2ncccc2[O-])[C@@H](C)O1 ZINC000412696567 288510819 /nfs/dbraw/zinc/51/08/19/288510819.db2.gz VYTADMSPNJQSNM-BBBLOLIVSA-N -1 1 250.298 1.331 20 0 CDADMM CC(C)[C@@H](O)C(C)(C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001589475810 1173146090 /nfs/dbraw/zinc/14/60/90/1173146090.db2.gz KSPGQPYHKDOLFU-LLVKDONJSA-N -1 1 291.359 1.112 20 0 CDADMM CC(C)[C@@H](O)C(C)(C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001589475810 1173146095 /nfs/dbraw/zinc/14/60/95/1173146095.db2.gz KSPGQPYHKDOLFU-LLVKDONJSA-N -1 1 291.359 1.112 20 0 CDADMM CCCC[N-]S(=O)(=O)c1nc[nH]c1Br ZINC000866378560 750097491 /nfs/dbraw/zinc/09/74/91/750097491.db2.gz UZHPXNIMAWEMKH-UHFFFAOYSA-N -1 1 282.163 1.251 20 0 CDADMM C[C@H](CNC(=O)c1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001589865371 1173190130 /nfs/dbraw/zinc/19/01/30/1173190130.db2.gz SRSBLAKIIQTJBQ-MRVPVSSYSA-N -1 1 272.312 1.038 20 0 CDADMM C[C@H](CNC(=O)c1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001589865371 1173190134 /nfs/dbraw/zinc/19/01/34/1173190134.db2.gz SRSBLAKIIQTJBQ-MRVPVSSYSA-N -1 1 272.312 1.038 20 0 CDADMM NC(=O)c1ccc(=NC[C@@H]2CCCCC2(F)F)[n-]n1 ZINC000390877533 262358085 /nfs/dbraw/zinc/35/80/85/262358085.db2.gz UMNHOXLHNDRJFU-QMMMGPOBSA-N -1 1 270.283 1.235 20 0 CDADMM C[C@@H]1CN(CCN(C)c2ccccc2)C[C@H](C(=O)[O-])O1 ZINC000652509708 424502813 /nfs/dbraw/zinc/50/28/13/424502813.db2.gz IFISCFNXSUNRSL-TZMCWYRMSA-N -1 1 278.352 1.297 20 0 CDADMM CO[C@H](CC(C)C)CN1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000652511237 424511655 /nfs/dbraw/zinc/51/16/55/424511655.db2.gz RRZGDHFFPNUEJD-IJLUTSLNSA-N -1 1 259.346 1.221 20 0 CDADMM Cc1c(-c2ccccc2)[n-]n([C@@H]2CCS(=O)(=O)C2)c1=O ZINC000128117998 424457226 /nfs/dbraw/zinc/45/72/26/424457226.db2.gz ILCQKQGTYJNOSE-ZYHUDNBSSA-N -1 1 292.360 1.056 20 0 CDADMM O=C(N[C@H](CCO)c1ccccc1)c1cncc([O-])c1 ZINC000305690837 267972030 /nfs/dbraw/zinc/97/20/30/267972030.db2.gz BDXAFNFFWGIVKC-CQSZACIVSA-N -1 1 272.304 1.641 20 0 CDADMM C[C@@H]1CCN1C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590276169 1173337411 /nfs/dbraw/zinc/33/74/11/1173337411.db2.gz JFWARZQYDVCZMN-SSDOTTSWSA-N -1 1 261.260 1.240 20 0 CDADMM COC(=O)c1ccc2c(c1)nc(-c1cnccn1)[n-]c2=O ZINC000077491397 274005464 /nfs/dbraw/zinc/00/54/64/274005464.db2.gz CNFQNVJUKKGMFL-UHFFFAOYSA-N -1 1 282.259 1.167 20 0 CDADMM CC[C@H](C)[C@H](C)Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001590398754 1173388641 /nfs/dbraw/zinc/38/86/41/1173388641.db2.gz FEFJGEHISULILQ-WPRPVWTQSA-N -1 1 260.345 1.839 20 0 CDADMM CC[C@H](C)[C@H](C)Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001590398754 1173388649 /nfs/dbraw/zinc/38/86/49/1173388649.db2.gz FEFJGEHISULILQ-WPRPVWTQSA-N -1 1 260.345 1.839 20 0 CDADMM CC[C@@H](C)CC(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001590406282 1173391238 /nfs/dbraw/zinc/39/12/38/1173391238.db2.gz LIVHFOIFWKTLQN-SSDOTTSWSA-N -1 1 277.332 1.283 20 0 CDADMM CC[C@@H](C)CC(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001590406282 1173391243 /nfs/dbraw/zinc/39/12/43/1173391243.db2.gz LIVHFOIFWKTLQN-SSDOTTSWSA-N -1 1 277.332 1.283 20 0 CDADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)C(=O)N1CCCCC1 ZINC000188509576 279941934 /nfs/dbraw/zinc/94/19/34/279941934.db2.gz VBBDQDNJKXIVEN-SNVBAGLBSA-N -1 1 294.326 1.662 20 0 CDADMM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cnn[nH]1 ZINC000193716391 280009608 /nfs/dbraw/zinc/00/96/08/280009608.db2.gz YHMYCUICIINOGL-UHFFFAOYSA-N -1 1 296.334 1.537 20 0 CDADMM C[C@@H](Cn1ccnc1)NC(=O)c1c([O-])cccc1F ZINC000228837127 280109835 /nfs/dbraw/zinc/10/98/35/280109835.db2.gz DZJRHKOZAOIABA-VIFPVBQESA-N -1 1 263.272 1.546 20 0 CDADMM CCc1nc(=NC(=O)c2ccn(Cc3ccccc3)n2)[n-][nH]1 ZINC000357382652 280665740 /nfs/dbraw/zinc/66/57/40/280665740.db2.gz SGFJDJXLKKPRHR-UHFFFAOYSA-N -1 1 296.334 1.286 20 0 CDADMM CCOC(=O)CN(CC)C(=O)c1c(F)ccc([O-])c1F ZINC000517626916 281009478 /nfs/dbraw/zinc/00/94/78/281009478.db2.gz NOHBNFNMMJEFTB-UHFFFAOYSA-N -1 1 287.262 1.696 20 0 CDADMM CC1(C)C[C@@H](C(=O)Nc2nnn[n-]2)c2ccccc2O1 ZINC000334045058 281300783 /nfs/dbraw/zinc/30/07/83/281300783.db2.gz PSVLLXXDQBUVPJ-SECBINFHSA-N -1 1 273.296 1.483 20 0 CDADMM CC1(C)C[C@@H](C(=O)Nc2nn[n-]n2)c2ccccc2O1 ZINC000334045058 281300784 /nfs/dbraw/zinc/30/07/84/281300784.db2.gz PSVLLXXDQBUVPJ-SECBINFHSA-N -1 1 273.296 1.483 20 0 CDADMM Cn1nnc2c1C[C@@H](C(=O)Nc1cccc(F)c1[O-])CC2 ZINC000530006515 281414397 /nfs/dbraw/zinc/41/43/97/281414397.db2.gz UDRDJEQDJNIFKS-QMMMGPOBSA-N -1 1 290.298 1.403 20 0 CDADMM CCn1nc(C)c(C(=O)Nc2cccc(F)c2[O-])n1 ZINC000530006358 281414606 /nfs/dbraw/zinc/41/46/06/281414606.db2.gz RIJPGGKWRMPJQC-UHFFFAOYSA-N -1 1 264.260 1.703 20 0 CDADMM CN1C(=O)CC[C@H]1CC(=O)Nc1cccc(F)c1[O-] ZINC000530006925 281415055 /nfs/dbraw/zinc/41/50/55/281415055.db2.gz XZQKILPVJRXTEH-QMMMGPOBSA-N -1 1 266.272 1.481 20 0 CDADMM CCC(O)(CC)CN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001590473619 1173423056 /nfs/dbraw/zinc/42/30/56/1173423056.db2.gz ONMMLYNWTGTWPZ-UHFFFAOYSA-N -1 1 296.400 1.619 20 0 CDADMM CN(C)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000334333727 282000169 /nfs/dbraw/zinc/00/01/69/282000169.db2.gz VIEFDRPKAKQOLP-UHFFFAOYSA-N -1 1 250.685 1.883 20 0 CDADMM C[C@@H]1COC[C@H](c2ccccc2)N1Cc1nc(=O)n(C)[n-]1 ZINC000347524787 288379890 /nfs/dbraw/zinc/37/98/90/288379890.db2.gz CPHJGLODGOXZAE-DGCLKSJQSA-N -1 1 288.351 1.070 20 0 CDADMM CN(C(=O)c1cc(F)ccc1[O-])[C@H]1CCCCNC1=O ZINC000362334954 288919343 /nfs/dbraw/zinc/91/93/43/288919343.db2.gz IXJOAFHAFMMWCF-NSHDSACASA-N -1 1 280.299 1.272 20 0 CDADMM CC[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590513142 1173443825 /nfs/dbraw/zinc/44/38/25/1173443825.db2.gz UFUAQPUSKVMODQ-NXEZZACHSA-N -1 1 273.344 1.459 20 0 CDADMM C[C@H](CCCNS(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-] ZINC000548542534 289899599 /nfs/dbraw/zinc/89/95/99/289899599.db2.gz NMQRIQIZSRCZMA-RNFRBKRXSA-N -1 1 291.291 1.358 20 0 CDADMM O=C(c1cccc2nn[nH]c21)N1CC(C2CCC2)C1 ZINC000553233556 290106072 /nfs/dbraw/zinc/10/60/72/290106072.db2.gz QCIUBONARHIXKH-UHFFFAOYSA-N -1 1 256.309 1.830 20 0 CDADMM CN(CCC(=O)OC(C)(C)C)C(=O)c1ncccc1[O-] ZINC000163487920 292842011 /nfs/dbraw/zinc/84/20/11/292842011.db2.gz ROIRPCFLHNANGE-UHFFFAOYSA-N -1 1 280.324 1.591 20 0 CDADMM CCC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001590558882 1173463214 /nfs/dbraw/zinc/46/32/14/1173463214.db2.gz IXDINJZQXPSBMC-SECBINFHSA-N -1 1 275.360 1.705 20 0 CDADMM CCc1nc(SCC(=O)CCC(=O)OC)[n-]c(=O)c1C ZINC000565241663 293576294 /nfs/dbraw/zinc/57/62/94/293576294.db2.gz GXPCIJOQVFHVQN-UHFFFAOYSA-N -1 1 298.364 1.667 20 0 CDADMM CCCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001590572836 1173465151 /nfs/dbraw/zinc/46/51/51/1173465151.db2.gz UOXRMXKHXUXBNP-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM Cn1ccc(Cc2nc(-c3ccc([O-])c(F)c3)no2)n1 ZINC000567555796 293805689 /nfs/dbraw/zinc/80/56/89/293805689.db2.gz VUMQGCFCHRWMDB-UHFFFAOYSA-N -1 1 274.255 1.906 20 0 CDADMM COC(=O)[C@@H](Sc1ncc(C)c(=O)[n-]1)C(C)C ZINC000568654862 294079122 /nfs/dbraw/zinc/07/91/22/294079122.db2.gz YJHJHIGRXTWWID-QMMMGPOBSA-N -1 1 256.327 1.780 20 0 CDADMM CC(C)OCc1nc([C@H](C)NCc2ncccc2[O-])no1 ZINC000568939711 294125638 /nfs/dbraw/zinc/12/56/38/294125638.db2.gz ZYIXPKALLSDECK-JTQLQIEISA-N -1 1 292.339 1.946 20 0 CDADMM O=C([O-])C[C@@H]1CN(CCN2CCc3ccccc32)CCO1 ZINC000570976493 294345691 /nfs/dbraw/zinc/34/56/91/294345691.db2.gz ZHNJATHYEMHZQI-CQSZACIVSA-N -1 1 290.363 1.225 20 0 CDADMM CN(C)[C@H](CNc1ncncc1C(=O)[O-])c1ccsc1 ZINC000571925991 294524590 /nfs/dbraw/zinc/52/45/90/294524590.db2.gz HESKEMTZKPSGLJ-LLVKDONJSA-N -1 1 292.364 1.373 20 0 CDADMM O=S(=O)([N-]CC1CC1)c1nc2ccccc2s1 ZINC000573840729 294897903 /nfs/dbraw/zinc/89/79/03/294897903.db2.gz ZGDUEFGHUYASMT-UHFFFAOYSA-N -1 1 268.363 1.985 20 0 CDADMM O=C(c1csc(=NC2CC2)[n-]1)N1Cc2cncnc2C1 ZINC000574927195 295078456 /nfs/dbraw/zinc/07/84/56/295078456.db2.gz ZSOBHQMVTFOVSR-UHFFFAOYSA-N -1 1 287.348 1.085 20 0 CDADMM O=C(c1ncccc1[O-])N1CCC2(C1)CCOCC2 ZINC000266579556 304610632 /nfs/dbraw/zinc/61/06/32/304610632.db2.gz ZRXZCOOGSFURCI-UHFFFAOYSA-N -1 1 262.309 1.430 20 0 CDADMM COC(=O)C(C)(C)CSCc1ccc(-c2nnn[n-]2)o1 ZINC001591227350 1173595939 /nfs/dbraw/zinc/59/59/39/1173595939.db2.gz ZCDSDGREXIKTME-UHFFFAOYSA-N -1 1 296.352 1.892 20 0 CDADMM COC(=O)C(C)(C)CSCc1ccc(-c2nn[n-]n2)o1 ZINC001591227350 1173595944 /nfs/dbraw/zinc/59/59/44/1173595944.db2.gz ZCDSDGREXIKTME-UHFFFAOYSA-N -1 1 296.352 1.892 20 0 CDADMM CO[C@@H](C(=O)Nc1snc(C)c1-c1nnn[n-]1)C(C)C ZINC001591316077 1173601555 /nfs/dbraw/zinc/60/15/55/1173601555.db2.gz KVPVSDSSJYDGJJ-MRVPVSSYSA-N -1 1 296.356 1.241 20 0 CDADMM CO[C@@H](C(=O)Nc1snc(C)c1-c1nn[n-]n1)C(C)C ZINC001591316077 1173601559 /nfs/dbraw/zinc/60/15/59/1173601559.db2.gz KVPVSDSSJYDGJJ-MRVPVSSYSA-N -1 1 296.356 1.241 20 0 CDADMM COCC[C@@H](C)CNc1cccc(-c2nnn[n-]2)n1 ZINC001591399668 1173648316 /nfs/dbraw/zinc/64/83/16/1173648316.db2.gz UUNNWOOFHBBLDS-SECBINFHSA-N -1 1 262.317 1.346 20 0 CDADMM COCC[C@@H](C)CNc1cccc(-c2nn[n-]n2)n1 ZINC001591399668 1173648319 /nfs/dbraw/zinc/64/83/19/1173648319.db2.gz UUNNWOOFHBBLDS-SECBINFHSA-N -1 1 262.317 1.346 20 0 CDADMM COCCCCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001591412803 1173649243 /nfs/dbraw/zinc/64/92/43/1173649243.db2.gz WSCSTNOUEMSOBX-UHFFFAOYSA-N -1 1 288.764 1.815 20 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CSCCCNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001591700333 1173690108 /nfs/dbraw/zinc/69/01/08/1173690108.db2.gz VUAGXRASDJRNLU-UHFFFAOYSA-N -1 1 264.358 1.735 20 0 CDADMM CSCCCNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001591700333 1173690112 /nfs/dbraw/zinc/69/01/12/1173690112.db2.gz VUAGXRASDJRNLU-UHFFFAOYSA-N -1 1 264.358 1.735 20 0 CDADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@H](C)C(C)C)nn1C ZINC001591797691 1173706126 /nfs/dbraw/zinc/70/61/26/1173706126.db2.gz ANBLZKVXKYPVRZ-SSDOTTSWSA-N -1 1 277.332 1.139 20 0 CDADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@H](C)C(C)C)nn1C ZINC001591797691 1173706130 /nfs/dbraw/zinc/70/61/30/1173706130.db2.gz ANBLZKVXKYPVRZ-SSDOTTSWSA-N -1 1 277.332 1.139 20 0 CDADMM COc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)nn1C ZINC000350612859 316187292 /nfs/dbraw/zinc/18/72/92/316187292.db2.gz QMTNWMFJRAFPBH-UHFFFAOYSA-N -1 1 290.254 1.990 20 0 CDADMM C[C@H](C(=O)[O-])N(C)c1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000563522242 316323464 /nfs/dbraw/zinc/32/34/64/316323464.db2.gz GSXBRURSTDYKLY-SCSAIBSYSA-N -1 1 289.217 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CC(C)(CO)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000119800861 538196954 /nfs/dbraw/zinc/19/69/54/538196954.db2.gz QAOGSMFUNSAKAX-UHFFFAOYSA-N -1 1 257.717 1.794 20 0 CDADMM O=C(NCc1nn[n-]n1)C1CCC(C(F)(F)F)CC1 ZINC000216465833 538453973 /nfs/dbraw/zinc/45/39/73/538453973.db2.gz NKTBJHQJIRDRPQ-UHFFFAOYSA-N -1 1 277.250 1.185 20 0 CDADMM Cc1cccc(OCCN2CCC[C@@H](O)[C@H]2C(=O)[O-])c1 ZINC001600545940 1174502865 /nfs/dbraw/zinc/50/28/65/1174502865.db2.gz GEJYEVXANPAFLZ-KGLIPLIRSA-N -1 1 279.336 1.284 20 0 CDADMM CC[C@]1(NC(=O)c2c([O-])cccc2F)CCOC1 ZINC000393476820 574420273 /nfs/dbraw/zinc/42/02/73/574420273.db2.gz IKSKZSJMGKNLCZ-ZDUSSCGKSA-N -1 1 253.273 1.830 20 0 CDADMM Cc1sc(C)c(C(=O)[O-])c1NC(=O)CCc1nn[nH]n1 ZINC001600873099 1174650183 /nfs/dbraw/zinc/65/01/83/1174650183.db2.gz CZPYZKCGKQIRPZ-UHFFFAOYSA-N -1 1 295.324 1.148 20 0 CDADMM Cc1sccc1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001600891890 1174654549 /nfs/dbraw/zinc/65/45/49/1174654549.db2.gz SEAFGPXBYSCGBL-JTQLQIEISA-N -1 1 279.321 1.205 20 0 CDADMM COCCCN1Cc2cccc(N[C@H](C)C(=O)[O-])c2C1 ZINC000737761993 574491021 /nfs/dbraw/zinc/49/10/21/574491021.db2.gz DLGMYMUTLYQLSI-LLVKDONJSA-N -1 1 278.352 1.924 20 0 CDADMM O=C(OCCC[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000774881486 575248269 /nfs/dbraw/zinc/24/82/69/575248269.db2.gz BYLQJYJCYUCJHU-UHFFFAOYSA-N -1 1 275.226 1.912 20 0 CDADMM Cc1cc2cn[nH]c2c(C(=O)Nc2cnn(CC(=O)[O-])c2)c1 ZINC000738339052 574510874 /nfs/dbraw/zinc/51/08/74/574510874.db2.gz QQTYQKZRSKBPSK-UHFFFAOYSA-N -1 1 299.290 1.405 20 0 CDADMM O=C([O-])c1ccc(CNCC(=O)NC2CCCC2)cc1F ZINC001601327992 1174834837 /nfs/dbraw/zinc/83/48/37/1174834837.db2.gz YGPPKLONRNIVKP-UHFFFAOYSA-N -1 1 294.326 1.672 20 0 CDADMM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccccc1)N(C)C ZINC000769516285 575355422 /nfs/dbraw/zinc/35/54/22/575355422.db2.gz WFWIBBNJBVRFPS-CMPLNLGQSA-N -1 1 264.325 1.269 20 0 CDADMM COCCN(CCC(=O)[O-])Cc1cn2c(cccc2C)n1 ZINC000737794315 574720378 /nfs/dbraw/zinc/72/03/78/574720378.db2.gz LVXFHLLSLMERQK-UHFFFAOYSA-N -1 1 291.351 1.566 20 0 CDADMM O=C([O-])c1sccc1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC001601442349 1174873450 /nfs/dbraw/zinc/87/34/50/1174873450.db2.gz ZGYCRVSZWYELQG-QMMMGPOBSA-N -1 1 280.349 1.413 20 0 CDADMM CC(C)[C@@H]1CC(=O)N(CN2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000736393025 575647662 /nfs/dbraw/zinc/64/76/62/575647662.db2.gz ZVSNADLAIWYZMN-VXGBXAGGSA-N -1 1 268.357 1.245 20 0 CDADMM CC(C)C[C@@H](C)N(C)C(=O)CNC(C)(C)C(=O)[O-] ZINC000736403748 575649333 /nfs/dbraw/zinc/64/93/33/575649333.db2.gz JMGHAULCZFOPAY-SNVBAGLBSA-N -1 1 258.362 1.332 20 0 CDADMM Cc1cccc(C(=O)OCCC[N-]C(=O)C(F)(F)F)n1 ZINC000774899432 575249789 /nfs/dbraw/zinc/24/97/89/575249789.db2.gz XKHQLTBFOBQBNN-UHFFFAOYSA-N -1 1 290.241 1.615 20 0 CDADMM O=C(CC[C@H]1CCCO1)OCCC[N-]C(=O)C(F)(F)F ZINC000774918987 575251558 /nfs/dbraw/zinc/25/15/58/575251558.db2.gz OHKCRXTYIZBLAP-SECBINFHSA-N -1 1 297.273 1.557 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1c1nccs1 ZINC000734850783 575388702 /nfs/dbraw/zinc/38/87/02/575388702.db2.gz NHXZDRMMYLZWBY-SECBINFHSA-N -1 1 255.343 1.128 20 0 CDADMM CC(C)c1ocnc1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000735953977 575538495 /nfs/dbraw/zinc/53/84/95/575538495.db2.gz PCSWBSHGKFZTPI-QMMMGPOBSA-N -1 1 278.316 1.187 20 0 CDADMM [O-]c1ccc(-c2noc(-c3cccc[n+]3[O-])n2)c(F)c1 ZINC000771213857 575558923 /nfs/dbraw/zinc/55/89/23/575558923.db2.gz XEPPIIAEJDENDU-UHFFFAOYSA-N -1 1 273.223 1.882 20 0 CDADMM C[C@@H](O)C[C@H](C)CNc1cccc(-c2nnn[n-]2)n1 ZINC000736144976 575577856 /nfs/dbraw/zinc/57/78/56/575577856.db2.gz RXRIRNFWROHYAL-DTWKUNHWSA-N -1 1 262.317 1.081 20 0 CDADMM C[C@@H](O)C[C@H](C)CNc1cccc(-c2nn[n-]n2)n1 ZINC000736144976 575577857 /nfs/dbraw/zinc/57/78/57/575577857.db2.gz RXRIRNFWROHYAL-DTWKUNHWSA-N -1 1 262.317 1.081 20 0 CDADMM C[C@H]1SCCN(c2cccc(-c3nnn[n-]3)n2)[C@@H]1C ZINC000736300688 575615392 /nfs/dbraw/zinc/61/53/92/575615392.db2.gz DODXRJSXKPIEQQ-RKDXNWHRSA-N -1 1 276.369 1.592 20 0 CDADMM C[C@H]1SCCN(c2cccc(-c3nn[n-]n3)n2)[C@@H]1C ZINC000736300688 575615393 /nfs/dbraw/zinc/61/53/93/575615393.db2.gz DODXRJSXKPIEQQ-RKDXNWHRSA-N -1 1 276.369 1.592 20 0 CDADMM CC[C@@H](CCO)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736350395 575635335 /nfs/dbraw/zinc/63/53/35/575635335.db2.gz MXKFGDWDNCTLDC-VIFPVBQESA-N -1 1 299.338 1.383 20 0 CDADMM CC[C@@H](CCO)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736350395 575635337 /nfs/dbraw/zinc/63/53/37/575635337.db2.gz MXKFGDWDNCTLDC-VIFPVBQESA-N -1 1 299.338 1.383 20 0 CDADMM CC(C)N(CCC(=O)[O-])Cn1cc(Br)cn1 ZINC000736468503 575670838 /nfs/dbraw/zinc/67/08/38/575670838.db2.gz SLXPEUYCNDIRTQ-UHFFFAOYSA-N -1 1 290.161 1.788 20 0 CDADMM CCCn1nccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736501266 575677617 /nfs/dbraw/zinc/67/76/17/575677617.db2.gz BVPLQDMYWWXFTB-UHFFFAOYSA-N -1 1 298.310 1.121 20 0 CDADMM CCCn1nccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736501266 575677620 /nfs/dbraw/zinc/67/76/20/575677620.db2.gz BVPLQDMYWWXFTB-UHFFFAOYSA-N -1 1 298.310 1.121 20 0 CDADMM C[C@@H](CN(Cn1cc(Cl)cn1)C1CC1)C(=O)[O-] ZINC000736582259 575696645 /nfs/dbraw/zinc/69/66/45/575696645.db2.gz MOMGGWAAPWPFHR-QMMMGPOBSA-N -1 1 257.721 1.679 20 0 CDADMM CCc1noc(CC)c1CC(=O)[N-]OC1CCOCC1 ZINC000772717001 575742480 /nfs/dbraw/zinc/74/24/80/575742480.db2.gz DIFUPOOFNZFSCX-UHFFFAOYSA-N -1 1 282.340 1.569 20 0 CDADMM CC[C@@H](C)C[N@@H+](C)CC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000736879708 575768625 /nfs/dbraw/zinc/76/86/25/575768625.db2.gz GZDREDBZZDVKPC-VXGBXAGGSA-N -1 1 272.389 1.580 20 0 CDADMM CCCC(=O)NC1CCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000736952765 575775709 /nfs/dbraw/zinc/77/57/09/575775709.db2.gz ZKJGIFXURJERKC-UHFFFAOYSA-N -1 1 294.351 1.859 20 0 CDADMM CCCCCNC(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000736990790 575785399 /nfs/dbraw/zinc/78/53/99/575785399.db2.gz VKZZBPYRPMAPJS-UHFFFAOYSA-N -1 1 270.373 1.670 20 0 CDADMM Cc1ccc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)o1 ZINC000773160644 575786939 /nfs/dbraw/zinc/78/69/39/575786939.db2.gz VEUVKIOUUVWUEG-MRVPVSSYSA-N -1 1 279.325 1.031 20 0 CDADMM O=C(NC[C@H](O)c1ccco1)c1c([O-])cccc1F ZINC000773354230 575803563 /nfs/dbraw/zinc/80/35/63/575803563.db2.gz VZQJQLYFVVLTAI-JTQLQIEISA-N -1 1 265.240 1.588 20 0 CDADMM Cc1csc(=O)n1CCOC(=O)c1ccc([O-])cc1F ZINC000773576521 575827348 /nfs/dbraw/zinc/82/73/48/575827348.db2.gz APNHSBNYFXURKD-UHFFFAOYSA-N -1 1 297.307 1.920 20 0 CDADMM Cc1cc(C)n(CCCNc2cccc(-c3nnn[n-]3)n2)n1 ZINC000737256748 575911765 /nfs/dbraw/zinc/91/17/65/575911765.db2.gz MXUHIEVZEDMISU-UHFFFAOYSA-N -1 1 298.354 1.577 20 0 CDADMM Cc1cc(C)n(CCCNc2cccc(-c3nn[n-]n3)n2)n1 ZINC000737256748 575911768 /nfs/dbraw/zinc/91/17/68/575911768.db2.gz MXUHIEVZEDMISU-UHFFFAOYSA-N -1 1 298.354 1.577 20 0 CDADMM Cc1cnc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC000737446335 575966677 /nfs/dbraw/zinc/96/66/77/575966677.db2.gz PVUVRXZWACSPGQ-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1cnc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC000737446335 575966678 /nfs/dbraw/zinc/96/66/78/575966678.db2.gz PVUVRXZWACSPGQ-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Clc1ccc(NCCn2cccn2)nc1-c1nnn[n-]1 ZINC000737576158 575995542 /nfs/dbraw/zinc/99/55/42/575995542.db2.gz WPRZXNSMZYBMRQ-UHFFFAOYSA-N -1 1 290.718 1.224 20 0 CDADMM Clc1ccc(NCCn2cccn2)nc1-c1nn[n-]n1 ZINC000737576158 575995545 /nfs/dbraw/zinc/99/55/45/575995545.db2.gz WPRZXNSMZYBMRQ-UHFFFAOYSA-N -1 1 290.718 1.224 20 0 CDADMM COC(=O)[C@H]1CCCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000737584166 575996688 /nfs/dbraw/zinc/99/66/88/575996688.db2.gz JYYJAMBLWZTWFG-VIFPVBQESA-N -1 1 267.281 1.363 20 0 CDADMM CCc1[nH]ncc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000737892465 576020511 /nfs/dbraw/zinc/02/05/11/576020511.db2.gz WZNXPELZKOTLFR-UHFFFAOYSA-N -1 1 259.265 1.923 20 0 CDADMM Cc1c(Cl)ccc(C(=O)OCc2nc(=O)n(C)[n-]2)c1N ZINC000765458286 576025547 /nfs/dbraw/zinc/02/55/47/576025547.db2.gz OIOURHWRAAQPBT-UHFFFAOYSA-N -1 1 296.714 1.009 20 0 CDADMM O=C(OCc1ccoc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738234562 576051878 /nfs/dbraw/zinc/05/18/78/576051878.db2.gz JOEFZRKTRFPMDB-UHFFFAOYSA-N -1 1 271.236 1.212 20 0 CDADMM O=C(OCc1ccoc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738234562 576051879 /nfs/dbraw/zinc/05/18/79/576051879.db2.gz JOEFZRKTRFPMDB-UHFFFAOYSA-N -1 1 271.236 1.212 20 0 CDADMM c1ccc(NCCCNc2nccnc2-c2nnn[n-]2)cc1 ZINC000738435280 576073984 /nfs/dbraw/zinc/07/39/84/576073984.db2.gz KKZHVFLFQOXVRT-UHFFFAOYSA-N -1 1 296.338 1.571 20 0 CDADMM c1ccc(NCCCNc2nccnc2-c2nn[n-]n2)cc1 ZINC000738435280 576073987 /nfs/dbraw/zinc/07/39/87/576073987.db2.gz KKZHVFLFQOXVRT-UHFFFAOYSA-N -1 1 296.338 1.571 20 0 CDADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)C1=CCCCO1 ZINC000767891870 576236034 /nfs/dbraw/zinc/23/60/34/576236034.db2.gz SWGSYMMUNDVPPF-LBPRGKRZSA-N -1 1 285.307 1.100 20 0 CDADMM O=C(NC1(CO)CCOCC1)c1c([O-])cccc1Cl ZINC000760936009 576526891 /nfs/dbraw/zinc/52/68/91/576526891.db2.gz KEOGMHSWWNBFGD-UHFFFAOYSA-N -1 1 285.727 1.317 20 0 CDADMM Cc1cccn2cc(CC(=O)[N-]OCc3cccnc3)nc12 ZINC000747170529 576861404 /nfs/dbraw/zinc/86/14/04/576861404.db2.gz XNXSWGUVFHCTMK-UHFFFAOYSA-N -1 1 296.330 1.828 20 0 CDADMM CCCC[C@H](NC(=O)Cc1cc(C)n[nH]1)C(=O)[O-] ZINC000753913610 576865889 /nfs/dbraw/zinc/86/58/89/576865889.db2.gz YDQIRGUDLXWDRQ-JTQLQIEISA-N -1 1 253.302 1.020 20 0 CDADMM O=C([O-])[C@@H]1CCN(Cc2cc[nH]n2)[C@H]([C@H]2CCCO2)C1 ZINC001601828443 1175025180 /nfs/dbraw/zinc/02/51/80/1175025180.db2.gz XOAJWWLKRSRYSB-KGYLQXTDSA-N -1 1 279.340 1.254 20 0 CDADMM O=C([O-])[C@H]1CSCCN(Cc2cccc(Cl)n2)C1 ZINC001601856014 1175037838 /nfs/dbraw/zinc/03/78/38/1175037838.db2.gz GPTNJZGDCZWNQE-SECBINFHSA-N -1 1 286.784 1.985 20 0 CDADMM O=C([O-])C[C@H](NC(=O)c1[nH]ncc1F)c1cccs1 ZINC001601907648 1175060401 /nfs/dbraw/zinc/06/04/01/1175060401.db2.gz PQFYHHVPOQOQAK-ZETCQYMHSA-N -1 1 283.284 1.556 20 0 CDADMM O=C([O-])CCN(CC1=NOCC1)Cc1ccccc1 ZINC001602004587 1175107256 /nfs/dbraw/zinc/10/72/56/1175107256.db2.gz GXPDVXQLJZNTMJ-UHFFFAOYSA-N -1 1 262.309 1.740 20 0 CDADMM O=C([O-])C[C@@H]1CCCN(Cn2c(=O)oc3ccccc32)C1 ZINC000819385283 597046153 /nfs/dbraw/zinc/04/61/53/597046153.db2.gz MIJGLCQFWHPVBK-NSHDSACASA-N -1 1 290.319 1.739 20 0 CDADMM CN(C)Cc1cc(CNC(=O)NCCC(=O)[O-])ccc1F ZINC000818385980 597221246 /nfs/dbraw/zinc/22/12/46/597221246.db2.gz YYXHMTYFNUZRBM-UHFFFAOYSA-N -1 1 297.330 1.161 20 0 CDADMM C[C@@H](NCCC(=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000818053547 597240389 /nfs/dbraw/zinc/24/03/89/597240389.db2.gz QPRZEIQSLPSYJX-SNVBAGLBSA-N -1 1 260.297 1.393 20 0 CDADMM CC(C)(NCC(=O)NCC(=O)[O-])c1ccc(Cl)cc1 ZINC000819948292 597793325 /nfs/dbraw/zinc/79/33/25/597793325.db2.gz NTZKSCNRBISGHM-UHFFFAOYSA-N -1 1 284.743 1.366 20 0 CDADMM C[C@H]1CN=C(N2CCN(CCCCC(=O)[O-])CC2)S1 ZINC000820251748 597797179 /nfs/dbraw/zinc/79/71/79/597797179.db2.gz IFCRBFQOCKQKOW-NSHDSACASA-N -1 1 285.413 1.350 20 0 CDADMM C[C@@]1(CO)CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000123358855 1175250894 /nfs/dbraw/zinc/25/08/94/1175250894.db2.gz KQWGLUVJQGIBNE-CQSZACIVSA-N -1 1 267.300 1.766 20 0 CDADMM CCN1CCN(C(=O)c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000110766799 598158573 /nfs/dbraw/zinc/15/85/73/598158573.db2.gz NXUQAHSMGYWVSC-NSHDSACASA-N -1 1 276.336 1.551 20 0 CDADMM CC[C@H](C)[C@H](NCC(=O)NCc1cccs1)C(=O)[O-] ZINC000820459563 598187539 /nfs/dbraw/zinc/18/75/39/598187539.db2.gz DAWKNGGONOEGDJ-CABZTGNLSA-N -1 1 284.381 1.453 20 0 CDADMM CCn1cc(CNCc2cccc(C(=O)[O-])c2)cn1 ZINC000263320903 598194046 /nfs/dbraw/zinc/19/40/46/598194046.db2.gz IVJDOXHUPXXJHZ-UHFFFAOYSA-N -1 1 259.309 1.891 20 0 CDADMM Cc1occc1CN(C)c1nccnc1-c1nnn[n-]1 ZINC000095310827 598345999 /nfs/dbraw/zinc/34/59/99/598345999.db2.gz DLIBGLNIIUGHDX-UHFFFAOYSA-N -1 1 271.284 1.195 20 0 CDADMM Cc1occc1CN(C)c1nccnc1-c1nn[n-]n1 ZINC000095310827 598346001 /nfs/dbraw/zinc/34/60/01/598346001.db2.gz DLIBGLNIIUGHDX-UHFFFAOYSA-N -1 1 271.284 1.195 20 0 CDADMM CCOc1ccc(Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC000095282081 598384173 /nfs/dbraw/zinc/38/41/73/598384173.db2.gz NSEBGQSSLCBXRZ-UHFFFAOYSA-N -1 1 283.295 1.799 20 0 CDADMM CCOc1ccc(Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC000095282081 598384174 /nfs/dbraw/zinc/38/41/74/598384174.db2.gz NSEBGQSSLCBXRZ-UHFFFAOYSA-N -1 1 283.295 1.799 20 0 CDADMM c1cc(-c2nnn[n-]2)ncc1-c1nc(CC2CC2)no1 ZINC000823742177 599311319 /nfs/dbraw/zinc/31/13/19/599311319.db2.gz ACQHDTDZBXTNHX-UHFFFAOYSA-N -1 1 269.268 1.264 20 0 CDADMM c1cc(-c2nn[n-]n2)ncc1-c1nc(CC2CC2)no1 ZINC000823742177 599311323 /nfs/dbraw/zinc/31/13/23/599311323.db2.gz ACQHDTDZBXTNHX-UHFFFAOYSA-N -1 1 269.268 1.264 20 0 CDADMM COc1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000095299078 599392296 /nfs/dbraw/zinc/39/22/96/599392296.db2.gz IQUBXJWEDUELGX-UHFFFAOYSA-N -1 1 282.307 1.882 20 0 CDADMM COc1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000095299078 599392298 /nfs/dbraw/zinc/39/22/98/599392298.db2.gz IQUBXJWEDUELGX-UHFFFAOYSA-N -1 1 282.307 1.882 20 0 CDADMM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1[nH]nc2c1CCC2 ZINC000237982908 599858371 /nfs/dbraw/zinc/85/83/71/599858371.db2.gz DJPWZSGEHDERRT-CYBMUJFWSA-N -1 1 299.330 1.324 20 0 CDADMM CC1(C)CN(Cc2cc(C(=O)[O-])co2)CCCO1 ZINC000386474313 600318884 /nfs/dbraw/zinc/31/88/84/600318884.db2.gz GZUROFWXGCNBPW-UHFFFAOYSA-N -1 1 253.298 1.979 20 0 CDADMM CC(C)CCC[C@@H](C)NC(=O)CNC(C)(C)C(=O)[O-] ZINC000087626170 600459258 /nfs/dbraw/zinc/45/92/58/600459258.db2.gz AZYPLSSAKMGUOK-LLVKDONJSA-N -1 1 272.389 1.770 20 0 CDADMM CC[C@@](C)(NCC(=O)NCCc1ccc(F)cc1)C(=O)[O-] ZINC000094228338 600563171 /nfs/dbraw/zinc/56/31/71/600563171.db2.gz YBYMSNMPOAZXQA-OAHLLOKOSA-N -1 1 296.342 1.327 20 0 CDADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC000095222114 607896219 /nfs/dbraw/zinc/89/62/19/607896219.db2.gz WYTWFVCJUDKVGD-WPRPVWTQSA-N -1 1 260.301 1.241 20 0 CDADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC000095222114 607896220 /nfs/dbraw/zinc/89/62/20/607896220.db2.gz WYTWFVCJUDKVGD-WPRPVWTQSA-N -1 1 260.301 1.241 20 0 CDADMM CC(C)C[C@H](CNC(=O)c1ccc2[nH]nnc2c1)C(=O)[O-] ZINC000094702352 600924973 /nfs/dbraw/zinc/92/49/73/600924973.db2.gz JWTIKKPRCPHXCP-SNVBAGLBSA-N -1 1 290.323 1.435 20 0 CDADMM C[C@@H](C(=O)N1C[C@H](C(=O)[O-])c2ccccc21)N(C)C ZINC000832798800 601137035 /nfs/dbraw/zinc/13/70/35/601137035.db2.gz MKGJEBCILXXQLX-ONGXEEELSA-N -1 1 262.309 1.152 20 0 CDADMM C[C@@H](C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1)C1CCCC1 ZINC000825990994 601288761 /nfs/dbraw/zinc/28/87/61/601288761.db2.gz SHHIJEMBOYFBHE-QWHCGFSZSA-N -1 1 296.411 1.820 20 0 CDADMM CCC1CCC(NC(=O)[C@H](C)N(C)C)(C(=O)[O-])CC1 ZINC000829089587 601295747 /nfs/dbraw/zinc/29/57/47/601295747.db2.gz DPJJSFBBTMXKFW-IFQILLTASA-N -1 1 270.373 1.476 20 0 CDADMM O=C([O-])[C@@H]1CCN(CN2CC3(CCCC3)CC2=O)C1 ZINC000819287398 601299813 /nfs/dbraw/zinc/29/98/13/601299813.db2.gz TZXJQECDNFPVTR-LLVKDONJSA-N -1 1 266.341 1.143 20 0 CDADMM Cc1[nH]c(C(=O)Nc2ccc3[nH]nnc3c2)c(C)c1C(=O)[O-] ZINC000832846361 601409051 /nfs/dbraw/zinc/40/90/51/601409051.db2.gz OLSOGEWOXXVNCG-UHFFFAOYSA-N -1 1 299.290 1.853 20 0 CDADMM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H](C)N(C)C ZINC000832902508 601448904 /nfs/dbraw/zinc/44/89/04/601448904.db2.gz ZPGMRDILYSLASJ-JTQLQIEISA-N -1 1 280.324 1.347 20 0 CDADMM CN1CCC[C@@H]1C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000830934977 601496600 /nfs/dbraw/zinc/49/66/00/601496600.db2.gz NJBYKBWUSKLCIG-ZIAGYGMSSA-N -1 1 288.347 1.291 20 0 CDADMM Cc1ccc(NC(=O)CN2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1F ZINC000111255070 601514516 /nfs/dbraw/zinc/51/45/16/601514516.db2.gz DIMHQPYWNWELAF-ZYHUDNBSSA-N -1 1 294.326 1.725 20 0 CDADMM CCc1nc(CN2C[C@H](C)[C@H](C(=O)[O-])C2)cs1 ZINC000104190656 601523406 /nfs/dbraw/zinc/52/34/06/601523406.db2.gz YSJGQOKVRVSYHV-WCBMZHEXSA-N -1 1 254.355 1.858 20 0 CDADMM Cc1nnc(CN2C[C@H](C)[C@H](C(=O)[O-])C2)n1C1CC1 ZINC000833018097 601543346 /nfs/dbraw/zinc/54/33/46/601543346.db2.gz MEFUGWGFQMSPON-GZMMTYOYSA-N -1 1 264.329 1.074 20 0 CDADMM CCO[C@H](C)c1noc(CN[C@](C)(CC)CC(=O)[O-])n1 ZINC000829908025 601557183 /nfs/dbraw/zinc/55/71/83/601557183.db2.gz QKZFQUQKRYPHNM-NOZJJQNGSA-N -1 1 285.344 1.900 20 0 CDADMM O=C([O-])c1ccc(COC(=O)CCc2nc[nH]n2)cc1 ZINC000819145706 601611714 /nfs/dbraw/zinc/61/17/14/601611714.db2.gz RKWKBDBBZHYWNA-UHFFFAOYSA-N -1 1 275.264 1.179 20 0 CDADMM CC(C)N(C)CC(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000826930443 601782700 /nfs/dbraw/zinc/78/27/00/601782700.db2.gz OZYYRUOJXGKMPZ-UHFFFAOYSA-N -1 1 299.396 1.829 20 0 CDADMM CC[C@@H]1CC(=O)N(CN(C[C@@H](C)C(=O)[O-])C2CC2)C1 ZINC000829074329 601811687 /nfs/dbraw/zinc/81/16/87/601811687.db2.gz CUXLHNZVINZDAK-GHMZBOCLSA-N -1 1 268.357 1.388 20 0 CDADMM Cc1ccccc1CCNC(=O)CN[C@H](C(=O)[O-])C(C)C ZINC000832979467 601825188 /nfs/dbraw/zinc/82/51/88/601825188.db2.gz NJKINCFHYZUMPD-HNNXBMFYSA-N -1 1 292.379 1.353 20 0 CDADMM Cc1cc(C(=O)CN2CC[C@](C)(C(=O)[O-])C2)c(C)n1C ZINC000832857809 601932544 /nfs/dbraw/zinc/93/25/44/601932544.db2.gz BDLXKBXMSMBPOH-HNNXBMFYSA-N -1 1 278.352 1.621 20 0 CDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2CC23CCC3)CC1 ZINC000827354354 601969943 /nfs/dbraw/zinc/96/99/43/601969943.db2.gz FRRLANJHMLGTJM-NEPJUHHUSA-N -1 1 280.368 1.184 20 0 CDADMM C[C@H](CN(C)C(=O)[C@H]1CCCc2[nH]ncc21)C(=O)[O-] ZINC000827436718 602034052 /nfs/dbraw/zinc/03/40/52/602034052.db2.gz GVQCRYLTBAYDGD-BDAKNGLRSA-N -1 1 265.313 1.009 20 0 CDADMM C[C@](NC(=O)[C@@H]1CCCc2[nH]ncc21)(C(=O)[O-])C1CC1 ZINC000827622465 602038983 /nfs/dbraw/zinc/03/89/83/602038983.db2.gz MTCUFSPBYDYNMG-YMTOWFKASA-N -1 1 277.324 1.199 20 0 CDADMM C[C@H](CC(=O)[O-])C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000827280759 604425693 /nfs/dbraw/zinc/42/56/93/604425693.db2.gz MOOMQFDTGOBCHW-APPZFPTMSA-N -1 1 251.286 1.014 20 0 CDADMM CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000866845520 617185456 /nfs/dbraw/zinc/18/54/56/617185456.db2.gz IWGVOZLDIHZVIA-LLVKDONJSA-N -1 1 294.323 1.045 20 0 CDADMM CN(C)C(=O)c1ccc(CN2CCC[C@@H](C(=O)[O-])C2)[nH]1 ZINC000833687035 604526700 /nfs/dbraw/zinc/52/67/00/604526700.db2.gz ASHKCGKFUMISSJ-SNVBAGLBSA-N -1 1 279.340 1.013 20 0 CDADMM CCCN(CCC)C(=O)CN[C@@](C)(CC)C(=O)[O-] ZINC000094228397 604616236 /nfs/dbraw/zinc/61/62/36/604616236.db2.gz XKMUSUMHEMKFIA-ZDUSSCGKSA-N -1 1 258.362 1.478 20 0 CDADMM CC(C)CN1CCO[C@@H](CNc2cccc(C(=O)[O-])n2)C1 ZINC000263395169 604709400 /nfs/dbraw/zinc/70/94/00/604709400.db2.gz HIUWNEWEFVHQJN-LBPRGKRZSA-N -1 1 293.367 1.549 20 0 CDADMM CCCOC(=O)[C@@H](C)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000829519253 604746401 /nfs/dbraw/zinc/74/64/01/604746401.db2.gz AJUOAXGBNNIDRU-NXEZZACHSA-N -1 1 257.330 1.513 20 0 CDADMM CCCn1cc(-c2nn[n-]n2)c(=O)c2nc(C)ccc21 ZINC000825356800 607715740 /nfs/dbraw/zinc/71/57/40/607715740.db2.gz KIZBLDANXGRPGA-UHFFFAOYSA-N -1 1 270.296 1.295 20 0 CDADMM O=S(=O)([N-][C@H](CO)C1CC1)c1ccc(C(F)F)o1 ZINC000866849993 617188654 /nfs/dbraw/zinc/18/86/54/617188654.db2.gz RIHKNXTVFMXKKP-SSDOTTSWSA-N -1 1 281.280 1.266 20 0 CDADMM C[C@@H](C[N@@H+](CCC[N-]C(=O)C(F)(F)F)C1CC1)C(=O)[O-] ZINC000833516130 605041141 /nfs/dbraw/zinc/04/11/41/605041141.db2.gz FFXYSYJMGKKQOT-QMMMGPOBSA-N -1 1 296.289 1.240 20 0 CDADMM C[C@@H](C[N@H+](CCC[N-]C(=O)C(F)(F)F)C1CC1)C(=O)[O-] ZINC000833516130 605041139 /nfs/dbraw/zinc/04/11/39/605041139.db2.gz FFXYSYJMGKKQOT-QMMMGPOBSA-N -1 1 296.289 1.240 20 0 CDADMM Fc1cccnc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000826378526 607730954 /nfs/dbraw/zinc/73/09/54/607730954.db2.gz OOQKOKCZOMUOHF-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM Fc1cccnc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000826378526 607730955 /nfs/dbraw/zinc/73/09/55/607730955.db2.gz OOQKOKCZOMUOHF-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM CC(C)[C@H](C)CNC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833469010 605054324 /nfs/dbraw/zinc/05/43/24/605054324.db2.gz PBWNTDWJQKDTQB-OLZOCXBDSA-N -1 1 299.415 1.469 20 0 CDADMM COCC(C)(C)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833721022 605059109 /nfs/dbraw/zinc/05/91/09/605059109.db2.gz MUHJTKLFMFTYLQ-UHFFFAOYSA-N -1 1 291.307 1.872 20 0 CDADMM CC1(C)C(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])C1(C)C ZINC000091481739 605077119 /nfs/dbraw/zinc/07/71/19/605077119.db2.gz BGUKQESWONZSQP-VIFPVBQESA-N -1 1 279.340 1.204 20 0 CDADMM CCN1C[C@H](C)N(C(=O)CCSCC(=O)[O-])C[C@@H]1C ZINC000833659141 605133575 /nfs/dbraw/zinc/13/35/75/605133575.db2.gz YCSHQDGCVGEMGU-QWRGUYRKSA-N -1 1 288.413 1.135 20 0 CDADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCO[C@@H](C(C)C)C2)O1 ZINC000833580295 605393687 /nfs/dbraw/zinc/39/36/87/605393687.db2.gz PAJKVYPWLJOJLD-WCQYABFASA-N -1 1 269.341 1.491 20 0 CDADMM O=C([O-])N1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000831583587 605702735 /nfs/dbraw/zinc/70/27/35/605702735.db2.gz BRAJEAQNFDSPKH-VHSXEESVSA-N -1 1 292.339 1.088 20 0 CDADMM CC1(C)C(Nc2nccnc2-c2nnn[n-]2)C1(C)C ZINC000820584362 606423708 /nfs/dbraw/zinc/42/37/08/606423708.db2.gz ILRSRQVLWWHEDN-UHFFFAOYSA-N -1 1 259.317 1.503 20 0 CDADMM CC1(C)C(Nc2nccnc2-c2nn[n-]n2)C1(C)C ZINC000820584362 606423710 /nfs/dbraw/zinc/42/37/10/606423710.db2.gz ILRSRQVLWWHEDN-UHFFFAOYSA-N -1 1 259.317 1.503 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H]1C ZINC000820715718 606445709 /nfs/dbraw/zinc/44/57/09/606445709.db2.gz DQCZWFOHNCWYEV-BDAKNGLRSA-N -1 1 272.312 1.132 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H]1C ZINC000820715718 606445712 /nfs/dbraw/zinc/44/57/12/606445712.db2.gz DQCZWFOHNCWYEV-BDAKNGLRSA-N -1 1 272.312 1.132 20 0 CDADMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H]1CCOC1 ZINC000820454971 606468086 /nfs/dbraw/zinc/46/80/86/606468086.db2.gz ACDFFHYNFNFWTR-HTQZYQBOSA-N -1 1 294.746 1.752 20 0 CDADMM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H]1CCOC1 ZINC000820454971 606468088 /nfs/dbraw/zinc/46/80/88/606468088.db2.gz ACDFFHYNFNFWTR-HTQZYQBOSA-N -1 1 294.746 1.752 20 0 CDADMM C[C@H]1C[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820665738 606526035 /nfs/dbraw/zinc/52/60/35/606526035.db2.gz GMWGVROSXUSVBL-NKWVEPMBSA-N -1 1 263.326 1.314 20 0 CDADMM C[C@H]1C[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820665738 606526036 /nfs/dbraw/zinc/52/60/36/606526036.db2.gz GMWGVROSXUSVBL-NKWVEPMBSA-N -1 1 263.326 1.314 20 0 CDADMM O=C(Nc1ccc[nH]c1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823372824 606542069 /nfs/dbraw/zinc/54/20/69/606542069.db2.gz LJUIDMMLCISQIR-UHFFFAOYSA-N -1 1 288.292 1.281 20 0 CDADMM O=C(Nc1ccc[nH]c1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823372824 606542070 /nfs/dbraw/zinc/54/20/70/606542070.db2.gz LJUIDMMLCISQIR-UHFFFAOYSA-N -1 1 288.292 1.281 20 0 CDADMM COC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821684852 606569709 /nfs/dbraw/zinc/56/97/09/606569709.db2.gz MHMUEIKXBHDJLI-QMMMGPOBSA-N -1 1 293.352 1.037 20 0 CDADMM COC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821684852 606569710 /nfs/dbraw/zinc/56/97/10/606569710.db2.gz MHMUEIKXBHDJLI-QMMMGPOBSA-N -1 1 293.352 1.037 20 0 CDADMM CC[C@H](O)CCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820931722 606578950 /nfs/dbraw/zinc/57/89/50/606578950.db2.gz IGJJISCIHJCRER-QMMMGPOBSA-N -1 1 295.368 1.209 20 0 CDADMM CC[C@H](O)CCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820931722 606578953 /nfs/dbraw/zinc/57/89/53/606578953.db2.gz IGJJISCIHJCRER-QMMMGPOBSA-N -1 1 295.368 1.209 20 0 CDADMM Cc1ccccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822345790 606647209 /nfs/dbraw/zinc/64/72/09/606647209.db2.gz ROAJSBQXFCZUHP-UHFFFAOYSA-N -1 1 295.302 1.927 20 0 CDADMM Cc1ccccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822345790 606647210 /nfs/dbraw/zinc/64/72/10/606647210.db2.gz ROAJSBQXFCZUHP-UHFFFAOYSA-N -1 1 295.302 1.927 20 0 CDADMM COCC[C@H](C)OC(=O)c1sccc1-c1nn[n-]n1 ZINC000826154259 607837675 /nfs/dbraw/zinc/83/76/75/607837675.db2.gz LJRVTELFJOSEAG-ZETCQYMHSA-N -1 1 282.325 1.510 20 0 CDADMM CCN(CC)C(=S)Sc1cccc(-c2nnn[n-]2)n1 ZINC000825407085 607894738 /nfs/dbraw/zinc/89/47/38/607894738.db2.gz YFDRRWGQOIFJLF-UHFFFAOYSA-N -1 1 294.409 1.981 20 0 CDADMM CCN(CC)C(=S)Sc1cccc(-c2nn[n-]n2)n1 ZINC000825407085 607894739 /nfs/dbraw/zinc/89/47/39/607894739.db2.gz YFDRRWGQOIFJLF-UHFFFAOYSA-N -1 1 294.409 1.981 20 0 CDADMM OCC[C@H]1CCCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000095147258 607895266 /nfs/dbraw/zinc/89/52/66/607895266.db2.gz RXYYYTUNDCMDGT-SNVBAGLBSA-N -1 1 274.328 1.003 20 0 CDADMM OCC[C@H]1CCCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000095147258 607895267 /nfs/dbraw/zinc/89/52/67/607895267.db2.gz RXYYYTUNDCMDGT-SNVBAGLBSA-N -1 1 274.328 1.003 20 0 CDADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1CCOC1 ZINC000824663410 607900560 /nfs/dbraw/zinc/90/05/60/607900560.db2.gz ZCTYQDPBKCGRHZ-RKDXNWHRSA-N -1 1 260.301 1.099 20 0 CDADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1CCOC1 ZINC000824663410 607900561 /nfs/dbraw/zinc/90/05/61/607900561.db2.gz ZCTYQDPBKCGRHZ-RKDXNWHRSA-N -1 1 260.301 1.099 20 0 CDADMM C[C@@H](C[C@@H]1CCOC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC000824400336 607902163 /nfs/dbraw/zinc/90/21/63/607902163.db2.gz FNKYCFUPMJWNNC-UWVGGRQHSA-N -1 1 274.328 1.489 20 0 CDADMM C[C@@H](C[C@@H]1CCOC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC000824400336 607902164 /nfs/dbraw/zinc/90/21/64/607902164.db2.gz FNKYCFUPMJWNNC-UWVGGRQHSA-N -1 1 274.328 1.489 20 0 CDADMM CC[C@H](CSC)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000825128653 608297712 /nfs/dbraw/zinc/29/77/12/608297712.db2.gz XIBKTJGMORINJY-SECBINFHSA-N -1 1 278.385 1.840 20 0 CDADMM CC[C@H](CSC)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000825128653 608297714 /nfs/dbraw/zinc/29/77/14/608297714.db2.gz XIBKTJGMORINJY-SECBINFHSA-N -1 1 278.385 1.840 20 0 CDADMM O[C@H](Cn1ccnc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000826510739 608393625 /nfs/dbraw/zinc/39/36/25/608393625.db2.gz ICMWAZPQGJFMSD-SNVBAGLBSA-N -1 1 290.714 1.450 20 0 CDADMM O[C@H](Cn1ccnc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000826510739 608393627 /nfs/dbraw/zinc/39/36/27/608393627.db2.gz ICMWAZPQGJFMSD-SNVBAGLBSA-N -1 1 290.714 1.450 20 0 CDADMM CC[C@@H](CSC)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825127802 608416447 /nfs/dbraw/zinc/41/64/47/608416447.db2.gz OLFKHLJOXMNCCP-ZETCQYMHSA-N -1 1 265.346 1.210 20 0 CDADMM CC[C@@H](CSC)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825127802 608416448 /nfs/dbraw/zinc/41/64/48/608416448.db2.gz OLFKHLJOXMNCCP-ZETCQYMHSA-N -1 1 265.346 1.210 20 0 CDADMM CCS[C@@H]1CCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825668134 608428761 /nfs/dbraw/zinc/42/87/61/608428761.db2.gz BMDQNHQGZQHHFL-PSASIEDQSA-N -1 1 291.384 1.743 20 0 CDADMM CCS[C@@H]1CCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825668134 608428763 /nfs/dbraw/zinc/42/87/63/608428763.db2.gz BMDQNHQGZQHHFL-PSASIEDQSA-N -1 1 291.384 1.743 20 0 CDADMM Fc1cccc2c1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000826377776 608434260 /nfs/dbraw/zinc/43/42/60/608434260.db2.gz FOOBHNGQMPHKSH-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM Fc1cccc2c1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000826377776 608434261 /nfs/dbraw/zinc/43/42/61/608434261.db2.gz FOOBHNGQMPHKSH-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@]2(CCOC2)C1 ZINC000826280434 608546250 /nfs/dbraw/zinc/54/62/50/608546250.db2.gz BMLTZTPYRGCTDM-AWEZNQCLSA-N -1 1 286.339 1.187 20 0 CDADMM CN1CCc2ccc(Nc3ccc(-c4nnn[n-]4)nn3)cc21 ZINC000826045506 608587360 /nfs/dbraw/zinc/58/73/60/608587360.db2.gz XNPCCXQFLOJIHW-UHFFFAOYSA-N -1 1 294.322 1.393 20 0 CDADMM CN1CCc2ccc(Nc3ccc(-c4nn[n-]n4)nn3)cc21 ZINC000826045506 608587362 /nfs/dbraw/zinc/58/73/62/608587362.db2.gz XNPCCXQFLOJIHW-UHFFFAOYSA-N -1 1 294.322 1.393 20 0 CDADMM CC[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000825218026 608597066 /nfs/dbraw/zinc/59/70/66/608597066.db2.gz AQWFCBWBRFTYJF-SECBINFHSA-N -1 1 263.301 1.071 20 0 CDADMM CC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000825218026 608597067 /nfs/dbraw/zinc/59/70/67/608597067.db2.gz AQWFCBWBRFTYJF-SECBINFHSA-N -1 1 263.301 1.071 20 0 CDADMM CC(C)(C)c1csc(Cn2ccnc2-c2nnn[n-]2)n1 ZINC000824135104 608887938 /nfs/dbraw/zinc/88/79/38/608887938.db2.gz ARXMTHOLFCERGF-UHFFFAOYSA-N -1 1 289.368 1.866 20 0 CDADMM CC(C)(C)c1csc(Cn2ccnc2-c2nn[n-]n2)n1 ZINC000824135104 608887940 /nfs/dbraw/zinc/88/79/40/608887940.db2.gz ARXMTHOLFCERGF-UHFFFAOYSA-N -1 1 289.368 1.866 20 0 CDADMM CCc1cccc(OCCn2ccnc2-c2nnn[n-]2)c1 ZINC000825722428 608894480 /nfs/dbraw/zinc/89/44/80/608894480.db2.gz FWAYCPURRAITDL-UHFFFAOYSA-N -1 1 284.323 1.705 20 0 CDADMM CCc1cccc(OCCn2ccnc2-c2nn[n-]n2)c1 ZINC000825722428 608894483 /nfs/dbraw/zinc/89/44/83/608894483.db2.gz FWAYCPURRAITDL-UHFFFAOYSA-N -1 1 284.323 1.705 20 0 CDADMM Cn1ccc(COC(=O)c2sccc2-c2nn[n-]n2)n1 ZINC000826363640 609155562 /nfs/dbraw/zinc/15/55/62/609155562.db2.gz VVBKPABUAIIDMQ-UHFFFAOYSA-N -1 1 290.308 1.019 20 0 CDADMM CN(Cc1ccc(-c2nn[n-]n2)s1)Cc1nccn1C ZINC000825965663 609199678 /nfs/dbraw/zinc/19/96/78/609199678.db2.gz APWHBZAHZQFWRV-UHFFFAOYSA-N -1 1 289.368 1.294 20 0 CDADMM CN(C[C@@H]1CCCC[C@H]1O)c1cccc(-c2nnn[n-]2)n1 ZINC000825907685 609324220 /nfs/dbraw/zinc/32/42/20/609324220.db2.gz BDOWOUIMBZYBQG-CMPLNLGQSA-N -1 1 288.355 1.249 20 0 CDADMM CN(C[C@@H]1CCCC[C@H]1O)c1cccc(-c2nn[n-]n2)n1 ZINC000825907685 609324222 /nfs/dbraw/zinc/32/42/22/609324222.db2.gz BDOWOUIMBZYBQG-CMPLNLGQSA-N -1 1 288.355 1.249 20 0 CDADMM CCO[C@H]1CCCN(c2cc(=O)[n-]c(COC)n2)C1 ZINC000891998680 617398789 /nfs/dbraw/zinc/39/87/89/617398789.db2.gz VHRMAFDPIJHWAL-JTQLQIEISA-N -1 1 267.329 1.334 20 0 CDADMM CCOCCO[N-]C(=O)[C@H](C)c1cccc(O)c1 ZINC000935452811 617417146 /nfs/dbraw/zinc/41/71/46/617417146.db2.gz AANNXPDEDLXEPV-SNVBAGLBSA-N -1 1 253.298 1.580 20 0 CDADMM COCc1nc(NC[C@H](O)c2ccccc2C)cc(=O)[n-]1 ZINC000892492666 617425411 /nfs/dbraw/zinc/42/54/11/617425411.db2.gz SDZLMMIGMYROTO-LBPRGKRZSA-N -1 1 289.335 1.783 20 0 CDADMM C[C@@H](COc1ccccc1)NC(=O)c1ncccc1[O-] ZINC000725888456 617432573 /nfs/dbraw/zinc/43/25/73/617432573.db2.gz NRNWKPBAWXMYEG-NSHDSACASA-N -1 1 272.304 1.985 20 0 CDADMM CCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C[C@H]1C ZINC000955448234 614731596 /nfs/dbraw/zinc/73/15/96/614731596.db2.gz NBAFLDDAXNJFRP-MNOVXSKESA-N -1 1 291.351 1.307 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cnn(C2CC2)c1 ZINC000891613942 617504497 /nfs/dbraw/zinc/50/44/97/617504497.db2.gz JYGYVHLJZAZKHB-UHFFFAOYSA-N -1 1 299.334 1.845 20 0 CDADMM O=C(C=C[C@@H]1CCCO1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891615839 617506893 /nfs/dbraw/zinc/50/68/93/617506893.db2.gz VJJSRJVEDXSAET-JARNTUPDSA-N -1 1 289.335 1.735 20 0 CDADMM COCc1nc(NCCCOC2CCOCC2)cc(=O)[n-]1 ZINC000892670666 617577009 /nfs/dbraw/zinc/57/70/09/617577009.db2.gz WNXGNFWJYVTJCU-UHFFFAOYSA-N -1 1 297.355 1.326 20 0 CDADMM C[C@H](CCCc1ccccc1)C(=O)N(C)c1nn[n-]n1 ZINC000892954514 617978293 /nfs/dbraw/zinc/97/82/93/617978293.db2.gz KDRRCLQMASNWFA-LLVKDONJSA-N -1 1 273.340 1.822 20 0 CDADMM COCc1nc(N[C@@H]2C[C@@](C)(OC)C2(C)C)cc(=O)[n-]1 ZINC000892756346 617704371 /nfs/dbraw/zinc/70/43/71/617704371.db2.gz BSBCWEJFSBYSEA-YMTOWFKASA-N -1 1 281.356 1.944 20 0 CDADMM COC1(C)CN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC000777443104 617769082 /nfs/dbraw/zinc/76/90/82/617769082.db2.gz OJXOZJAASDMZSU-UHFFFAOYSA-N -1 1 279.340 1.475 20 0 CDADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@H]1CO ZINC000889147203 617811139 /nfs/dbraw/zinc/81/11/39/617811139.db2.gz GUWKIKXVNRYCRM-QMMMGPOBSA-N -1 1 275.226 1.618 20 0 CDADMM CCc1c(C(=O)N(C)c2nn[n-]n2)cnn1C1CCCC1 ZINC000892954373 617974707 /nfs/dbraw/zinc/97/47/07/617974707.db2.gz IUAMVPRMJUHCEN-UHFFFAOYSA-N -1 1 289.343 1.350 20 0 CDADMM Cc1cc(C)cc(CCC(=O)N(C)c2nn[n-]n2)c1 ZINC000892954162 617976245 /nfs/dbraw/zinc/97/62/45/617976245.db2.gz DESXLSIZMJWCKF-UHFFFAOYSA-N -1 1 259.313 1.412 20 0 CDADMM C[C@](NC(=O)Cc1n[nH]c2c1CCCC2)(C(=O)[O-])C1CC1 ZINC000909324789 618012628 /nfs/dbraw/zinc/01/26/28/618012628.db2.gz MQHZRPNINTZBLI-OAHLLOKOSA-N -1 1 291.351 1.201 20 0 CDADMM Cc1cc(S(=O)(=O)[N-]CCNc2ccccc2)sn1 ZINC000866954458 620770191 /nfs/dbraw/zinc/77/01/91/620770191.db2.gz GWQLTOIGRZBZBY-UHFFFAOYSA-N -1 1 297.405 1.842 20 0 CDADMM CCC(CC)(CNC(=O)[C@H]1CCCN1C)C(=O)[O-] ZINC000909381484 618037272 /nfs/dbraw/zinc/03/72/72/618037272.db2.gz AXLQUMFYIWFSMI-SNVBAGLBSA-N -1 1 256.346 1.088 20 0 CDADMM CCOCC(C)(C)CNc1cc(=O)[n-]c(COC)n1 ZINC000893890108 618160351 /nfs/dbraw/zinc/16/03/51/618160351.db2.gz KDKXJWORYIUHPO-UHFFFAOYSA-N -1 1 269.345 1.803 20 0 CDADMM CC(C)[C@@H](CNC(=O)c1[nH]nc2c1C[C@H](C)CC2)C(=O)[O-] ZINC000902028492 618473912 /nfs/dbraw/zinc/47/39/12/618473912.db2.gz WGKPDLNQYDRPJD-MWLCHTKSSA-N -1 1 293.367 1.621 20 0 CDADMM CC(C)c1c[nH]c(CN2CCC[C@@H]2CC(=O)[O-])n1 ZINC000902007231 618482927 /nfs/dbraw/zinc/48/29/27/618482927.db2.gz KZZVLBUWGSRIJR-SNVBAGLBSA-N -1 1 251.330 1.972 20 0 CDADMM CC(C)C[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824236085 618557352 /nfs/dbraw/zinc/55/73/52/618557352.db2.gz MKUAVSCTOGJLNK-QMMMGPOBSA-N -1 1 295.368 1.065 20 0 CDADMM CC(C)C[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824236085 618557356 /nfs/dbraw/zinc/55/73/56/618557356.db2.gz MKUAVSCTOGJLNK-QMMMGPOBSA-N -1 1 295.368 1.065 20 0 CDADMM Cc1nc2cccc(C(=O)NCC3(C(=O)[O-])CCC3)c2[nH]1 ZINC000902088497 618569845 /nfs/dbraw/zinc/56/98/45/618569845.db2.gz QMBNLOSMYZSSIT-UHFFFAOYSA-N -1 1 287.319 1.856 20 0 CDADMM CC1CCN(CC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)CC1 ZINC000828284863 618616942 /nfs/dbraw/zinc/61/69/42/618616942.db2.gz ISSWTENRZFNDJZ-OAHLLOKOSA-N -1 1 296.411 1.868 20 0 CDADMM COCc1nc(NC[C@@H]2C[C@@H](C)O[C@H]2C)cc(=O)[n-]1 ZINC000894197916 618690087 /nfs/dbraw/zinc/69/00/87/618690087.db2.gz RUZZLFKRHGMDQZ-UTLUCORTSA-N -1 1 267.329 1.554 20 0 CDADMM COCc1nc(N[C@@H](C2CC2)C2CCOCC2)cc(=O)[n-]1 ZINC000894387318 618843419 /nfs/dbraw/zinc/84/34/19/618843419.db2.gz LFWXPTJSXQDLCW-HNNXBMFYSA-N -1 1 293.367 1.946 20 0 CDADMM COC1(OC)CC(Nc2cc(Cl)[n-]c(=O)n2)C1 ZINC000895252747 619496677 /nfs/dbraw/zinc/49/66/77/619496677.db2.gz SFKUJOGTELCISJ-UHFFFAOYSA-N -1 1 259.693 1.399 20 0 CDADMM O=c1nc(N[C@H](c2ccccn2)C2CC2)nc2[nH][n-]cc1-2 ZINC000895792250 619844143 /nfs/dbraw/zinc/84/41/43/619844143.db2.gz CWYLTGLLZYPKRX-NSHDSACASA-N -1 1 282.307 1.390 20 0 CDADMM COC[C@H](OC)c1noc(-c2ccc(OC)cc2[O-])n1 ZINC000896652408 620183295 /nfs/dbraw/zinc/18/32/95/620183295.db2.gz JRWPNKDAQUEBRJ-NSHDSACASA-N -1 1 280.280 1.785 20 0 CDADMM CCC(CC)(NC(=O)c1[nH]nc2c1C[C@@H](C)CC2)C(=O)[O-] ZINC000909613908 620509585 /nfs/dbraw/zinc/50/95/85/620509585.db2.gz KGGDGMHDPDBSGT-VIFPVBQESA-N -1 1 293.367 1.908 20 0 CDADMM CCC(CC)(NC(=O)Cc1n[nH]c2c1CCCC2)C(=O)[O-] ZINC000909614258 620510600 /nfs/dbraw/zinc/51/06/00/620510600.db2.gz OPDFLSMFFPKVHV-UHFFFAOYSA-N -1 1 293.367 1.591 20 0 CDADMM C[C@H]1CCc2[n-]n(-c3cncc(Cl)n3)c(=O)c21 ZINC000871944934 620634669 /nfs/dbraw/zinc/63/46/69/620634669.db2.gz ILPUGFICBBTCSN-QUBYGPBYSA-N -1 1 250.689 1.879 20 0 CDADMM CCC[C@H](C)NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000035083986 620835404 /nfs/dbraw/zinc/83/54/04/620835404.db2.gz YWZBOYIBYHTTAX-QWRGUYRKSA-N -1 1 256.346 1.088 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)N=c2ccnc3n(C)[n-]cc2-3)C1 ZINC000801701498 621666997 /nfs/dbraw/zinc/66/69/97/621666997.db2.gz QDDVXBYVPSUQQR-ZJUUUORDSA-N -1 1 258.325 1.717 20 0 CDADMM O=C(C[C@H]1CCCC(=O)N1)[N-]Oc1ccc(F)cc1 ZINC000898572734 621797363 /nfs/dbraw/zinc/79/73/63/621797363.db2.gz BYJVPUQOVMSBFV-SNVBAGLBSA-N -1 1 266.272 1.295 20 0 CDADMM O=C(NCc1nc([O-])cc(=O)[nH]1)[C@@H]1CCc2ccccc2C1 ZINC000898755338 621860414 /nfs/dbraw/zinc/86/04/14/621860414.db2.gz PIQYWICRZJVFTK-GFCCVEGCSA-N -1 1 299.330 1.309 20 0 CDADMM CCS[C@@H](C(=O)NCc1nc([O-])cc(=O)[nH]1)C(C)C ZINC000898754622 621865380 /nfs/dbraw/zinc/86/53/80/621865380.db2.gz WWIGJCYKGPHEET-LLVKDONJSA-N -1 1 285.369 1.282 20 0 CDADMM O=C(c1cncc([O-])c1)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000899078878 622042959 /nfs/dbraw/zinc/04/29/59/622042959.db2.gz RQDMTPLWPXCQQM-LBPRGKRZSA-N -1 1 299.334 1.343 20 0 CDADMM Cc1[n-]n(-c2ncnc3c2cnn3C)c(=O)c1C(C)C ZINC000899347250 622195313 /nfs/dbraw/zinc/19/53/13/622195313.db2.gz NYPHBZQOTDNKBJ-SNVBAGLBSA-N -1 1 272.312 1.358 20 0 CDADMM O=c1[n-]n([C@@H]2CCCC[C@H]2O)c(=O)c2cc(F)c(F)cc12 ZINC000899365296 622207299 /nfs/dbraw/zinc/20/72/99/622207299.db2.gz VRCGBQUEZGANJJ-VXGBXAGGSA-N -1 1 296.273 1.856 20 0 CDADMM Cc1cc(CN[C@@H]2CCCn3nc(C(=O)[O-])cc32)n(C)n1 ZINC000900073698 622676413 /nfs/dbraw/zinc/67/64/13/622676413.db2.gz KVKSVGOVKKKKIP-LLVKDONJSA-N -1 1 289.339 1.248 20 0 CDADMM CC[C@H]1CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000901010466 623799541 /nfs/dbraw/zinc/79/95/41/623799541.db2.gz SKRLYSZCWJGAMW-VIFPVBQESA-N -1 1 261.325 1.932 20 0 CDADMM CC(C)[C@H]1CCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901329142 624135565 /nfs/dbraw/zinc/13/55/65/624135565.db2.gz BULYMLZFAROMBE-LLVKDONJSA-N -1 1 261.325 1.930 20 0 CDADMM CN(CCc1ccccc1)CC(=O)N(C)CCC(=O)[O-] ZINC000901458190 624276241 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/nfs/dbraw/zinc/31/48/19/1163314819.db2.gz FMRGKEOHBYZUNO-FPGMWJDFSA-N -1 1 289.335 1.151 20 0 CDADMM CO[C@]1(C)C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1(C)C ZINC001605015185 1163417536 /nfs/dbraw/zinc/41/75/36/1163417536.db2.gz HXTQHXXRZRBYNO-NOZJJQNGSA-N -1 1 289.343 1.272 20 0 CDADMM CO[C@]1(C)C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1(C)C ZINC001605015185 1163417541 /nfs/dbraw/zinc/41/75/41/1163417541.db2.gz HXTQHXXRZRBYNO-NOZJJQNGSA-N -1 1 289.343 1.272 20 0 CDADMM COC1(CNc2nccnc2-c2nnn[n-]2)CCCCC1 ZINC001605021903 1163419436 /nfs/dbraw/zinc/41/94/36/1163419436.db2.gz ZWNKIFMFPQBMRE-UHFFFAOYSA-N -1 1 289.343 1.418 20 0 CDADMM COC1(CNc2nccnc2-c2nn[n-]n2)CCCCC1 ZINC001605021903 1163419442 /nfs/dbraw/zinc/41/94/42/1163419442.db2.gz ZWNKIFMFPQBMRE-UHFFFAOYSA-N -1 1 289.343 1.418 20 0 CDADMM CO[C@H]1CC[C@H](NC(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001605029410 1163423218 /nfs/dbraw/zinc/42/32/18/1163423218.db2.gz KFBQLWXMIGWPRU-YUMQZZPRSA-N -1 1 293.352 1.226 20 0 CDADMM CO[C@H]1CC[C@H](NC(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001605029410 1163423223 /nfs/dbraw/zinc/42/32/23/1163423223.db2.gz KFBQLWXMIGWPRU-YUMQZZPRSA-N -1 1 293.352 1.226 20 0 CDADMM COCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001605133875 1163462324 /nfs/dbraw/zinc/46/23/24/1163462324.db2.gz IGNRMNMVHVUOQC-UHFFFAOYSA-N -1 1 299.290 1.858 20 0 CDADMM COCc1cccc(CNc2n[nH]c(C)c2-c2nnn[n-]2)c1 ZINC001605133570 1163462655 /nfs/dbraw/zinc/46/26/55/1163462655.db2.gz JORDJMJWIGIRHG-UHFFFAOYSA-N -1 1 299.338 1.657 20 0 CDADMM COCc1cccc(CNc2n[nH]c(C)c2-c2nn[n-]n2)c1 ZINC001605133570 1163462659 /nfs/dbraw/zinc/46/26/59/1163462659.db2.gz JORDJMJWIGIRHG-UHFFFAOYSA-N -1 1 299.338 1.657 20 0 CDADMM CSCCSCc1nc(-c2nnn[n-]2)cs1 ZINC001605374378 1163539456 /nfs/dbraw/zinc/53/94/56/1163539456.db2.gz GIXBMEUIJSDJMZ-UHFFFAOYSA-N -1 1 273.412 1.919 20 0 CDADMM CSCCSCc1nc(-c2nn[n-]n2)cs1 ZINC001605374378 1163539465 /nfs/dbraw/zinc/53/94/65/1163539465.db2.gz GIXBMEUIJSDJMZ-UHFFFAOYSA-N -1 1 273.412 1.919 20 0 CDADMM CCN1CC[C@H]1CNC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001605473918 1163576147 /nfs/dbraw/zinc/57/61/47/1163576147.db2.gz BDOONPRXYKCFND-ZDUSSCGKSA-N -1 1 291.351 1.909 20 0 CDADMM CCOC(=O)[C@@H](CC)N1CCSC[C@H](C(=O)[O-])C1 ZINC001605509961 1163591118 /nfs/dbraw/zinc/59/11/18/1163591118.db2.gz UHGUYGDNRANPSH-NXEZZACHSA-N -1 1 275.370 1.078 20 0 CDADMM CCOC(=O)c1c(C)[nH]nc1CN1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001605562846 1163611264 /nfs/dbraw/zinc/61/12/64/1163611264.db2.gz BCJOTSPODVHBTE-PSASIEDQSA-N -1 1 295.339 1.047 20 0 CDADMM CCO[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])c(C)[nH]2)C1 ZINC001605652337 1163635094 /nfs/dbraw/zinc/63/50/94/1163635094.db2.gz RPOVKOXKQNGDSP-NSHDSACASA-N -1 1 252.314 1.632 20 0 CDADMM CCO[C@H]1CCN(Cc2cc(C(=O)[O-])c(C)[nH]2)C1 ZINC001605652337 1163635098 /nfs/dbraw/zinc/63/50/98/1163635098.db2.gz RPOVKOXKQNGDSP-NSHDSACASA-N -1 1 252.314 1.632 20 0 CDADMM Cc1cc(CNCc2nc(-c3nnn[n-]3)cs2)c(C)o1 ZINC001605660998 1163636810 /nfs/dbraw/zinc/63/68/10/1163636810.db2.gz KGGXOYOHEPPKBE-UHFFFAOYSA-N -1 1 290.352 1.823 20 0 CDADMM Cc1cc(CNCc2nc(-c3nn[n-]n3)cs2)c(C)o1 ZINC001605660998 1163636813 /nfs/dbraw/zinc/63/68/13/1163636813.db2.gz KGGXOYOHEPPKBE-UHFFFAOYSA-N -1 1 290.352 1.823 20 0 CDADMM CCOc1nnc(CN[C@H]2CCC[C@@H]2C(=O)[O-])s1 ZINC001605722237 1163645323 /nfs/dbraw/zinc/64/53/23/1163645323.db2.gz OIWZVCCPCOCDHC-YUMQZZPRSA-N -1 1 271.342 1.280 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@H]1CCS[C@@H]1C ZINC001605804343 1163677281 /nfs/dbraw/zinc/67/72/81/1163677281.db2.gz JFSVXQPTPNSNJY-BDAKNGLRSA-N -1 1 276.369 1.876 20 0 CDADMM Cc1ccc(N(C)C[C@H]2CCOC2)c(-c2nnn[n-]2)n1 ZINC001605866970 1163697345 /nfs/dbraw/zinc/69/73/45/1163697345.db2.gz WQTPNQIMFCABTM-SNVBAGLBSA-N -1 1 274.328 1.043 20 0 CDADMM Cc1ccc(N(C)C[C@H]2CCOC2)c(-c2nn[n-]n2)n1 ZINC001605866970 1163697352 /nfs/dbraw/zinc/69/73/52/1163697352.db2.gz WQTPNQIMFCABTM-SNVBAGLBSA-N -1 1 274.328 1.043 20 0 CDADMM Cc1ccc(N[C@@H]2CC23CCOCC3)nc1-c1nnn[n-]1 ZINC001605871547 1163698916 /nfs/dbraw/zinc/69/89/16/1163698916.db2.gz GKOPSNMESZIOJW-SNVBAGLBSA-N -1 1 286.339 1.551 20 0 CDADMM Cc1ccc(N[C@@H]2CC23CCOCC3)nc1-c1nn[n-]n1 ZINC001605871547 1163698919 /nfs/dbraw/zinc/69/89/19/1163698919.db2.gz GKOPSNMESZIOJW-SNVBAGLBSA-N -1 1 286.339 1.551 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)nc1-c1nnn[n-]1 ZINC001605875234 1163701380 /nfs/dbraw/zinc/70/13/80/1163701380.db2.gz DXAVMLCFCHDVJW-DUYQIWHPSA-N -1 1 284.323 1.158 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)nc1-c1nn[n-]n1 ZINC001605875234 1163701386 /nfs/dbraw/zinc/70/13/86/1163701386.db2.gz DXAVMLCFCHDVJW-DUYQIWHPSA-N -1 1 284.323 1.158 20 0 CDADMM Cc1ccc(N[C@H]2CCCOC2)nc1-c1nnn[n-]1 ZINC001605875647 1163702515 /nfs/dbraw/zinc/70/25/15/1163702515.db2.gz UMMXFUFTVCFQEY-VIFPVBQESA-N -1 1 260.301 1.161 20 0 CDADMM Cc1ccc(N[C@H]2CCCOC2)nc1-c1nn[n-]n1 ZINC001605875647 1163702520 /nfs/dbraw/zinc/70/25/20/1163702520.db2.gz UMMXFUFTVCFQEY-VIFPVBQESA-N -1 1 260.301 1.161 20 0 CDADMM CCn1cc(CN[C@H](C(=O)[O-])c2cccc(O)c2)cn1 ZINC001605922323 1163715308 /nfs/dbraw/zinc/71/53/08/1163715308.db2.gz MTNHHXJGYYYNNQ-ZDUSSCGKSA-N -1 1 275.308 1.524 20 0 CDADMM Cc1ccsc1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001605972336 1163733130 /nfs/dbraw/zinc/73/31/30/1163733130.db2.gz MOOMWXDVPCTYNK-UHFFFAOYSA-N -1 1 272.337 1.666 20 0 CDADMM Cc1ccsc1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001605972336 1163733134 /nfs/dbraw/zinc/73/31/34/1163733134.db2.gz MOOMWXDVPCTYNK-UHFFFAOYSA-N -1 1 272.337 1.666 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@H]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001606021183 1163747754 /nfs/dbraw/zinc/74/77/54/1163747754.db2.gz LPKIIOGBGGMJIA-GDGBQDQQSA-N -1 1 290.371 1.884 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@H]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001606021183 1163747760 /nfs/dbraw/zinc/74/77/60/1163747760.db2.gz LPKIIOGBGGMJIA-GDGBQDQQSA-N -1 1 290.371 1.884 20 0 CDADMM Cc1nc(N[C@H]2CC3CCC2CC3)cc(-c2nnn[n-]2)n1 ZINC001606062678 1163760253 /nfs/dbraw/zinc/76/02/53/1163760253.db2.gz FCTVBXHNJKOSPL-ILDUYXDCSA-N -1 1 285.355 1.956 20 0 CDADMM Cc1nc(N[C@H]2CC3CCC2CC3)cc(-c2nn[n-]n2)n1 ZINC001606062678 1163760259 /nfs/dbraw/zinc/76/02/59/1163760259.db2.gz FCTVBXHNJKOSPL-ILDUYXDCSA-N -1 1 285.355 1.956 20 0 CDADMM CN(CCOC1CCC1)Cc1ccc(C(=O)[O-])cn1 ZINC001606134259 1163783106 /nfs/dbraw/zinc/78/31/06/1163783106.db2.gz TUAWJNMBKBLIBB-UHFFFAOYSA-N -1 1 264.325 1.781 20 0 CDADMM Cc1nsc(NC[C@@H]2C[C@H](C)O[C@@H]2C)c1-c1nn[n-]n1 ZINC001606158154 1163790791 /nfs/dbraw/zinc/79/07/91/1163790791.db2.gz DYDITVAXVAQDPS-ZQARSLAVSA-N -1 1 294.384 1.857 20 0 CDADMM Cc1sc(-c2ccc(-c3nnn[n-]3)s2)nc1CCO ZINC001606180442 1163799320 /nfs/dbraw/zinc/79/93/20/1163799320.db2.gz FPIJTDFTGSPVRM-UHFFFAOYSA-N -1 1 293.377 1.895 20 0 CDADMM Cc1sc(-c2ccc(-c3nn[n-]n3)s2)nc1CCO ZINC001606180442 1163799326 /nfs/dbraw/zinc/79/93/26/1163799326.db2.gz FPIJTDFTGSPVRM-UHFFFAOYSA-N -1 1 293.377 1.895 20 0 CDADMM Clc1sc(N2CCCOCC2)nc1-c1nn[n-]n1 ZINC001606201238 1163806073 /nfs/dbraw/zinc/80/60/73/1163806073.db2.gz XVJWQXHWVRCTDY-UHFFFAOYSA-N -1 1 286.748 1.203 20 0 CDADMM FC1(F)[C@@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C[C@@H]21 ZINC001606301133 1163846596 /nfs/dbraw/zinc/84/65/96/1163846596.db2.gz OATNNZUZWMRRAB-POBXSPIYSA-N -1 1 279.254 1.112 20 0 CDADMM FC1(F)[C@@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C[C@@H]21 ZINC001606301133 1163846604 /nfs/dbraw/zinc/84/66/04/1163846604.db2.gz OATNNZUZWMRRAB-POBXSPIYSA-N -1 1 279.254 1.112 20 0 CDADMM Fc1cccnc1CNCc1cccc(-c2nn[n-]n2)n1 ZINC001606336319 1163865617 /nfs/dbraw/zinc/86/56/17/1163865617.db2.gz XYDRHRJSRVGPLV-UHFFFAOYSA-N -1 1 285.286 1.086 20 0 CDADMM Fc1ccccc1CCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001606335215 1163867136 /nfs/dbraw/zinc/86/71/36/1163867136.db2.gz APGPAYDOUNAEPY-UHFFFAOYSA-N -1 1 299.313 1.841 20 0 CDADMM Fc1ccccc1CCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001606335215 1163867146 /nfs/dbraw/zinc/86/71/46/1163867146.db2.gz APGPAYDOUNAEPY-UHFFFAOYSA-N -1 1 299.313 1.841 20 0 CDADMM COC(=O)c1cc(C(=O)[O-])n(CN2C[C@H](C)[C@@H](C)[C@@H]2C)n1 ZINC001606536375 1163926708 /nfs/dbraw/zinc/92/67/08/1163926708.db2.gz BRGSVEAZYJAHPK-AEJSXWLSSA-N -1 1 295.339 1.302 20 0 CDADMM O=C(N[C@@H]1C[C@H]1c1ccccc1)c1coc(-c2nnn[n-]2)c1 ZINC001606654956 1163948039 /nfs/dbraw/zinc/94/80/39/1163948039.db2.gz UQNILAWWWUPFOD-NWDGAFQWSA-N -1 1 295.302 1.746 20 0 CDADMM O=C(N[C@@H]1C[C@H]1c1ccccc1)c1coc(-c2nn[n-]n2)c1 ZINC001606654956 1163948043 /nfs/dbraw/zinc/94/80/43/1163948043.db2.gz UQNILAWWWUPFOD-NWDGAFQWSA-N -1 1 295.302 1.746 20 0 CDADMM O=C(NCC1CC1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001606724134 1163973233 /nfs/dbraw/zinc/97/32/33/1163973233.db2.gz BJEPKPXECUTCQV-UHFFFAOYSA-N -1 1 278.703 1.055 20 0 CDADMM COCCn1cc(CNCc2cc(C(=O)[O-])c(C)[nH]2)cn1 ZINC001606931913 1164031943 /nfs/dbraw/zinc/03/19/43/1164031943.db2.gz YZSKRFYVJRWIDI-UHFFFAOYSA-N -1 1 292.339 1.154 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C1(CCF)CC1 ZINC001606933682 1164033167 /nfs/dbraw/zinc/03/31/67/1164033167.db2.gz OEKZSYVEOXACCB-UHFFFAOYSA-N -1 1 276.275 1.340 20 0 CDADMM O=C(OC[C@@]1(F)CCOC1)c1sccc1-c1nn[n-]n1 ZINC001606965932 1164040910 /nfs/dbraw/zinc/04/09/10/1164040910.db2.gz XAAFGFZGPWUWMT-LLVKDONJSA-N -1 1 298.299 1.214 20 0 CDADMM O=C(OCCCCC1CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606969140 1164043010 /nfs/dbraw/zinc/04/30/10/1164043010.db2.gz YDRPEZKTIRRXRG-UHFFFAOYSA-N -1 1 287.323 1.999 20 0 CDADMM O=C(OCCCCC1CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606969140 1164043017 /nfs/dbraw/zinc/04/30/17/1164043017.db2.gz YDRPEZKTIRRXRG-UHFFFAOYSA-N -1 1 287.323 1.999 20 0 CDADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1C2CCC1CC2 ZINC001607022496 1164062794 /nfs/dbraw/zinc/06/27/94/1164062794.db2.gz TZOFQGJXKSFGMS-UHFFFAOYSA-N -1 1 287.298 1.773 20 0 CDADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1C2CCC1CC2 ZINC001607022496 1164062800 /nfs/dbraw/zinc/06/28/00/1164062800.db2.gz TZOFQGJXKSFGMS-UHFFFAOYSA-N -1 1 287.298 1.773 20 0 CDADMM O=C1OCC[C@H]1Sc1cccc(F)c1-c1nn[n-]n1 ZINC001607055132 1164068346 /nfs/dbraw/zinc/06/83/46/1164068346.db2.gz YCPVECVVFDPYDX-MRVPVSSYSA-N -1 1 280.284 1.413 20 0 CDADMM c1cc(N2CC[C@H]2[C@@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001607119663 1164102073 /nfs/dbraw/zinc/10/20/73/1164102073.db2.gz GGIRKKMQAPRURD-MFKMUULPSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(N2CC[C@H]2[C@@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001607119663 1164102077 /nfs/dbraw/zinc/10/20/77/1164102077.db2.gz GGIRKKMQAPRURD-MFKMUULPSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(NC[C@@H]2CCC3(CCC3)O2)cc(-c2nnn[n-]2)n1 ZINC001607120561 1164103232 /nfs/dbraw/zinc/10/32/32/1164103232.db2.gz CJKFLRGGVNDIHA-NSHDSACASA-N -1 1 286.339 1.197 20 0 CDADMM c1cc(NC[C@@H]2CCC3(CCC3)O2)cc(-c2nn[n-]n2)n1 ZINC001607120561 1164103233 /nfs/dbraw/zinc/10/32/33/1164103233.db2.gz CJKFLRGGVNDIHA-NSHDSACASA-N -1 1 286.339 1.197 20 0 CDADMM c1csc(CN(c2cncc(-c3nnn[n-]3)n2)C2CC2)c1 ZINC001607136656 1164115877 /nfs/dbraw/zinc/11/58/77/1164115877.db2.gz NIAQBAGCUPLRLA-UHFFFAOYSA-N -1 1 299.363 1.887 20 0 CDADMM c1csc(CN(c2cncc(-c3nn[n-]n3)n2)C2CC2)c1 ZINC001607136656 1164115881 /nfs/dbraw/zinc/11/58/81/1164115881.db2.gz NIAQBAGCUPLRLA-UHFFFAOYSA-N -1 1 299.363 1.887 20 0 CDADMM c1nc(NCC2CCCCC2)cc(-c2nnn[n-]2)n1 ZINC001607137268 1164116770 /nfs/dbraw/zinc/11/67/70/1164116770.db2.gz NTNCVZDBTXLOQY-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM c1nc(NCC2CCCCC2)cc(-c2nn[n-]n2)n1 ZINC001607137268 1164116773 /nfs/dbraw/zinc/11/67/73/1164116773.db2.gz NTNCVZDBTXLOQY-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CCCC3(CCCC3)C2)n1 ZINC001607136946 1164117020 /nfs/dbraw/zinc/11/70/20/1164117020.db2.gz WFIPIUUARUXBRJ-UHFFFAOYSA-N -1 1 285.355 1.817 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CCCC3(CCCC3)C2)n1 ZINC001607136946 1164117024 /nfs/dbraw/zinc/11/70/24/1164117024.db2.gz WFIPIUUARUXBRJ-UHFFFAOYSA-N -1 1 285.355 1.817 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(N2CC[C@H]3CCCC[C@H]3C2)n1 ZINC001607138799 1164120701 /nfs/dbraw/zinc/12/07/01/1164120701.db2.gz KTTTZRYAOAQHAZ-MNOVXSKESA-N -1 1 285.355 1.673 20 0 CDADMM C[S@](=O)[C@@H]1CC[C@@H](NCc2ncc(C(=O)[O-])s2)C1 ZINC001607386016 1164162161 /nfs/dbraw/zinc/16/21/61/1164162161.db2.gz ZCKKNLGUIHTGKD-FWMBLBRJSA-N -1 1 288.394 1.231 20 0 CDADMM Cc1cc(CN2C[C@H](C(=O)[O-])Oc3ccccc32)n[nH]1 ZINC001607640478 1164252453 /nfs/dbraw/zinc/25/24/53/1164252453.db2.gz NTQUPMBDFGBSFX-CYBMUJFWSA-N -1 1 273.292 1.570 20 0 CDADMM Cc1cc(CNC(=O)c2cc(F)cc(C(=O)[O-])c2)n[nH]1 ZINC001607645020 1164255329 /nfs/dbraw/zinc/25/53/29/1164255329.db2.gz VTOVBMXKASKWSD-UHFFFAOYSA-N -1 1 277.255 1.485 20 0 CDADMM Cc1cccc(S(=O)(=O)Nc2ncccn2)c1C(=O)[O-] ZINC001607863000 1164315193 /nfs/dbraw/zinc/31/51/93/1164315193.db2.gz HKTFPVRUELCTBX-UHFFFAOYSA-N -1 1 293.304 1.284 20 0 CDADMM Cn1ccc([C@H](NCc2[nH]nc3ccccc32)C(=O)[O-])n1 ZINC001608127148 1164418288 /nfs/dbraw/zinc/41/82/88/1164418288.db2.gz VFTZPSXSTBQRBN-ZDUSSCGKSA-N -1 1 285.307 1.212 20 0 CDADMM Cn1ncnc1CNC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001608166289 1164432383 /nfs/dbraw/zinc/43/23/83/1164432383.db2.gz CMSDUFCWAXCNTE-LLVKDONJSA-N -1 1 266.345 1.186 20 0 CDADMM O=C([O-])[C@H](CF)NS(=O)(=O)c1sccc1Cl ZINC001608533510 1164535329 /nfs/dbraw/zinc/53/53/29/1164535329.db2.gz MTYWRQVUPMWKJS-YFKPBYRVSA-N -1 1 287.721 1.103 20 0 CDADMM O=C([O-])[C@@H](c1ccccc1F)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001608564645 1164548383 /nfs/dbraw/zinc/54/83/83/1164548383.db2.gz YCEKBJLITJMDLU-COPLHBTASA-N -1 1 296.317 1.679 20 0 CDADMM O=C([O-])[C@@H]1CN(Cc2cn(CC3CC3)nn2)C[C@H]1C1CC1 ZINC001608809114 1164643577 /nfs/dbraw/zinc/64/35/77/1164643577.db2.gz BQDYANWZAVECAR-UONOGXRCSA-N -1 1 290.367 1.231 20 0 CDADMM O=C([O-])[C@]12CN(Cc3ncnn3CCF)C[C@H]1CCCC2 ZINC001608817748 1164648639 /nfs/dbraw/zinc/64/86/39/1164648639.db2.gz XIXDSWYYTYOBLB-BXUZGUMPSA-N -1 1 296.346 1.324 20 0 CDADMM O=C([O-])c1cnc(CNCc2ccc3cncn3c2)s1 ZINC001608973015 1164698831 /nfs/dbraw/zinc/69/88/31/1164698831.db2.gz YEBDUKZCGXJTQP-UHFFFAOYSA-N -1 1 288.332 1.779 20 0 CDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)C1CC1 ZINC001609132104 1164784977 /nfs/dbraw/zinc/78/49/77/1164784977.db2.gz IWESBIXEJNALLA-LURJTMIESA-N -1 1 292.320 1.453 20 0 CDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)C1CC1 ZINC001609132104 1164784983 /nfs/dbraw/zinc/78/49/83/1164784983.db2.gz IWESBIXEJNALLA-LURJTMIESA-N -1 1 292.320 1.453 20 0 CDADMM C[C@H]1CC[C@@H](CNC(=O)c2csc(-c3nn[n-]n3)c2)O1 ZINC001609160472 1164804691 /nfs/dbraw/zinc/80/46/91/1164804691.db2.gz FWFXODCKEYXHPR-CBAPKCEASA-N -1 1 293.352 1.226 20 0 CDADMM C[C@@H]1CC[C@@H](C(=O)OCc2cccnc2-c2nnn[n-]2)C1 ZINC001609161749 1164809283 /nfs/dbraw/zinc/80/92/83/1164809283.db2.gz YYCSPDIGBXVWTI-NXEZZACHSA-N -1 1 287.323 1.741 20 0 CDADMM C[C@@H]1CC[C@@H](C(=O)OCc2cccnc2-c2nn[n-]n2)C1 ZINC001609161749 1164809289 /nfs/dbraw/zinc/80/92/89/1164809289.db2.gz YYCSPDIGBXVWTI-NXEZZACHSA-N -1 1 287.323 1.741 20 0 CDADMM C[C@H]1CCCC[C@H]1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001609163958 1164810412 /nfs/dbraw/zinc/81/04/12/1164810412.db2.gz IZSGUJBAFSGPRK-DTWKUNHWSA-N -1 1 289.343 1.365 20 0 CDADMM C[C@H]1CCCC[C@H]1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001609163958 1164810417 /nfs/dbraw/zinc/81/04/17/1164810417.db2.gz IZSGUJBAFSGPRK-DTWKUNHWSA-N -1 1 289.343 1.365 20 0 CDADMM C[C@H]1[C@@H](C)N(C(=O)c2cccc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001609172122 1164814816 /nfs/dbraw/zinc/81/48/16/1164814816.db2.gz OIWDDMXFIRWOFP-OPRDCNLKSA-N -1 1 286.339 1.378 20 0 CDADMM C[C@H]1[C@@H](C)N(C(=O)c2cccc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001609172122 1164814823 /nfs/dbraw/zinc/81/48/23/1164814823.db2.gz OIWDDMXFIRWOFP-OPRDCNLKSA-N -1 1 286.339 1.378 20 0 CDADMM CC[C@@H](O)CCCNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001609195573 1164837111 /nfs/dbraw/zinc/83/71/11/1164837111.db2.gz TWIZTNGVCLYQSK-SECBINFHSA-N -1 1 293.327 1.049 20 0 CDADMM CC[C@@H](O)CCCNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609195573 1164837118 /nfs/dbraw/zinc/83/71/18/1164837118.db2.gz TWIZTNGVCLYQSK-SECBINFHSA-N -1 1 293.327 1.049 20 0 CDADMM CCN(C(=O)Nc1snc(C)c1-c1nnn[n-]1)C(C)C ZINC001609219984 1164851312 /nfs/dbraw/zinc/85/13/12/1164851312.db2.gz UFLIFNSFMWVLBT-UHFFFAOYSA-N -1 1 295.372 1.894 20 0 CDADMM CCN(C(=O)Nc1snc(C)c1-c1nn[n-]n1)C(C)C ZINC001609219984 1164851316 /nfs/dbraw/zinc/85/13/16/1164851316.db2.gz UFLIFNSFMWVLBT-UHFFFAOYSA-N -1 1 295.372 1.894 20 0 CDADMM CCc1nc(CC)n(Cc2nc(-c3nnn[n-]3)cs2)n1 ZINC001609254629 1164866472 /nfs/dbraw/zinc/86/64/72/1164866472.db2.gz RFTCHIILZAYXLH-UHFFFAOYSA-N -1 1 290.356 1.088 20 0 CDADMM CCc1nc(CC)n(Cc2nc(-c3nn[n-]n3)cs2)n1 ZINC001609254629 1164866477 /nfs/dbraw/zinc/86/64/77/1164866477.db2.gz RFTCHIILZAYXLH-UHFFFAOYSA-N -1 1 290.356 1.088 20 0 CDADMM CCc1ccccc1Cn1ccc(C)c(-c2nn[n-]n2)c1=O ZINC001609253501 1164866944 /nfs/dbraw/zinc/86/69/44/1164866944.db2.gz RVVAOMUXDBCKJI-UHFFFAOYSA-N -1 1 295.346 1.948 20 0 CDADMM CCc1nc(CNc2cnc(-c3nnn[n-]3)cn2)cs1 ZINC001609255097 1164867117 /nfs/dbraw/zinc/86/71/17/1164867117.db2.gz XKSQTTIWXOEQHE-UHFFFAOYSA-N -1 1 288.340 1.288 20 0 CDADMM CCc1nc(CNc2cnc(-c3nn[n-]n3)cn2)cs1 ZINC001609255097 1164867122 /nfs/dbraw/zinc/86/71/22/1164867122.db2.gz XKSQTTIWXOEQHE-UHFFFAOYSA-N -1 1 288.340 1.288 20 0 CDADMM CO[C@@]1(C)CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001609312976 1164892275 /nfs/dbraw/zinc/89/22/75/1164892275.db2.gz ZCDOGOCMWMVHMO-ZDUSSCGKSA-N -1 1 289.343 1.052 20 0 CDADMM CO[C@@]1(C)CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001609312976 1164892284 /nfs/dbraw/zinc/89/22/84/1164892284.db2.gz ZCDOGOCMWMVHMO-ZDUSSCGKSA-N -1 1 289.343 1.052 20 0 CDADMM CO[C@@H]1CC[C@@H](OC(=O)c2csc(-c3nnn[n-]3)c2)C1 ZINC001609313834 1164894422 /nfs/dbraw/zinc/89/44/22/1164894422.db2.gz UXUKKAGZHGRQCU-RKDXNWHRSA-N -1 1 294.336 1.653 20 0 CDADMM CO[C@@H]1CC[C@@H](OC(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001609313834 1164894430 /nfs/dbraw/zinc/89/44/30/1164894430.db2.gz UXUKKAGZHGRQCU-RKDXNWHRSA-N -1 1 294.336 1.653 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCOC[C@H]2C)n1 ZINC001609392366 1164926369 /nfs/dbraw/zinc/92/63/69/1164926369.db2.gz NQGFJTHFFYJHHN-SCZZXKLOSA-N -1 1 289.343 1.050 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCOC[C@H]2C)n1 ZINC001609392366 1164926380 /nfs/dbraw/zinc/92/63/80/1164926380.db2.gz NQGFJTHFFYJHHN-SCZZXKLOSA-N -1 1 289.343 1.050 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCC(F)(F)C2)n1 ZINC001609392691 1164926609 /nfs/dbraw/zinc/92/66/09/1164926609.db2.gz ZYOJFBHXAPKWLJ-ZETCQYMHSA-N -1 1 281.270 1.565 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCC(F)(F)C2)n1 ZINC001609392691 1164926615 /nfs/dbraw/zinc/92/66/15/1164926615.db2.gz ZYOJFBHXAPKWLJ-ZETCQYMHSA-N -1 1 281.270 1.565 20 0 CDADMM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)CCc2nn[n-]n2)C1 ZINC000868314884 1164931484 /nfs/dbraw/zinc/93/14/84/1164931484.db2.gz XJOYTVIAOPPASK-AAEUAGOBSA-N -1 1 285.351 1.742 20 0 CDADMM Cc1cc(CN(C)c2cc(C)nc(-c3nnn[n-]3)c2)no1 ZINC001609404352 1164931533 /nfs/dbraw/zinc/93/15/33/1164931533.db2.gz RZEVNDRDQJMDNJ-UHFFFAOYSA-N -1 1 285.311 1.503 20 0 CDADMM Cc1cc(CN(C)c2cc(C)nc(-c3nn[n-]n3)c2)no1 ZINC001609404352 1164931538 /nfs/dbraw/zinc/93/15/38/1164931538.db2.gz RZEVNDRDQJMDNJ-UHFFFAOYSA-N -1 1 285.311 1.503 20 0 CDADMM Cc1ccc(NCCc2ccccc2O)nc1-c1nnn[n-]1 ZINC001609426398 1164942990 /nfs/dbraw/zinc/94/29/90/1164942990.db2.gz RAQUPWHQXSCNLI-UHFFFAOYSA-N -1 1 296.334 1.930 20 0 CDADMM Cc1ccc(NCCc2ccccc2O)nc1-c1nn[n-]n1 ZINC001609426398 1164942996 /nfs/dbraw/zinc/94/29/96/1164942996.db2.gz RAQUPWHQXSCNLI-UHFFFAOYSA-N -1 1 296.334 1.930 20 0 CDADMM Cc1ncsc1CCNc1cccc(-c2nnn[n-]2)n1 ZINC001609457547 1164958015 /nfs/dbraw/zinc/95/80/15/1164958015.db2.gz BEJCTGNKGWNGPX-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM Cc1ncsc1CCNc1cccc(-c2nn[n-]n2)n1 ZINC001609457547 1164958019 /nfs/dbraw/zinc/95/80/19/1164958019.db2.gz BEJCTGNKGWNGPX-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)[C@H]1CC=CCC1 ZINC001609578733 1164996043 /nfs/dbraw/zinc/99/60/43/1164996043.db2.gz YZPVJLKBZDGZGT-QMMMGPOBSA-N -1 1 291.336 1.723 20 0 CDADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)[C@H]1CC=CCC1 ZINC001609578733 1164996047 /nfs/dbraw/zinc/99/60/47/1164996047.db2.gz YZPVJLKBZDGZGT-QMMMGPOBSA-N -1 1 291.336 1.723 20 0 CDADMM c1cncc([C@H](Nc2cc(-c3nnn[n-]3)ncn2)C2CC2)c1 ZINC001609619516 1165015888 /nfs/dbraw/zinc/01/58/88/1165015888.db2.gz SMFZPFRBBOXLKM-CYBMUJFWSA-N -1 1 294.322 1.615 20 0 CDADMM c1cncc([C@H](Nc2cc(-c3nn[n-]n3)ncn2)C2CC2)c1 ZINC001609619516 1165015896 /nfs/dbraw/zinc/01/58/96/1165015896.db2.gz SMFZPFRBBOXLKM-CYBMUJFWSA-N -1 1 294.322 1.615 20 0 CDADMM C[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccccn2)nc1 ZINC001610109762 1165218271 /nfs/dbraw/zinc/21/82/71/1165218271.db2.gz HERXBFCJXRSUJA-UHFFFAOYSA-N -1 1 257.293 1.660 20 0 CDADMM CO[C@H]1C[C@@H](N(C)Cn2ncc3cc(C(=O)[O-])ccc32)C1 ZINC001610276714 1165284100 /nfs/dbraw/zinc/28/41/00/1165284100.db2.gz VNKFMKUIDDNERS-BETUJISGSA-N -1 1 289.335 1.801 20 0 CDADMM Cc1c(C(=O)[O-])cc(CN2CCCO[C@@H](C)C2)n1C ZINC001610406941 1165310324 /nfs/dbraw/zinc/31/03/24/1165310324.db2.gz FPLYGCLDWQGSQI-JTQLQIEISA-N -1 1 266.341 1.643 20 0 CDADMM Cc1cnccc1C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001610540527 1165348023 /nfs/dbraw/zinc/34/80/23/1165348023.db2.gz FJBYYRWCAUCTEV-GFCCVEGCSA-N -1 1 291.351 1.011 20 0 CDADMM Cn1cc(S(=O)(=O)Nc2ncccc2F)cc1C(=O)[O-] ZINC001610607301 1165375448 /nfs/dbraw/zinc/37/54/48/1165375448.db2.gz SKZFNQKHBSKUON-UHFFFAOYSA-N -1 1 299.283 1.058 20 0 CDADMM Cc1nn(-c2ccccc2)cc1C(=O)Nc1c[n-][nH]c1=O ZINC001611379956 1165491137 /nfs/dbraw/zinc/49/11/37/1165491137.db2.gz NDSNLLVQYGGSAX-UHFFFAOYSA-N -1 1 283.291 1.862 20 0 CDADMM Cn1ncc2c1CN(C(=O)c1cccc([O-])c1F)C2 ZINC001624603753 1165853123 /nfs/dbraw/zinc/85/31/23/1165853123.db2.gz DQQKUXCPPIJCSS-UHFFFAOYSA-N -1 1 261.256 1.421 20 0 CDADMM Cc1nsc([N-]C(=O)c2c3c(ccc2F)OCO3)n1 ZINC001411981400 1166720602 /nfs/dbraw/zinc/72/06/02/1166720602.db2.gz SZJPPHAMZJIUCX-UHFFFAOYSA-N -1 1 281.268 1.967 20 0 CDADMM CC(C)OC(=O)[C@H](C)NC(=O)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155269603 1167111071 /nfs/dbraw/zinc/11/10/71/1167111071.db2.gz LYHMDEHXUXPCQY-QMMMGPOBSA-N -1 1 291.307 1.338 20 0 CDADMM COc1cccc([N-]S(=O)(=O)c2cn(C)nc2C)c1F ZINC001645785656 1167503939 /nfs/dbraw/zinc/50/39/39/1167503939.db2.gz ZPJYOZMWYUGBGL-UHFFFAOYSA-N -1 1 299.327 1.677 20 0 CDADMM CCc1cc(CNC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)n[nH]1 ZINC001647721195 1169045197 /nfs/dbraw/zinc/04/51/97/1169045197.db2.gz KRCIZBNENCQLLK-VHSXEESVSA-N -1 1 294.355 1.367 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cnc(C2CC2)[nH]1 ZINC001649840138 1169420886 /nfs/dbraw/zinc/42/08/86/1169420886.db2.gz SNQNWTRHNCRXTC-SCZZXKLOSA-N -1 1 277.324 1.612 20 0 CDADMM CC(C)(C)[C@H]1C[C@@H](NCc2nc(C(=O)[O-])n[nH]2)CS1 ZINC001573456123 1170662595 /nfs/dbraw/zinc/66/25/95/1170662595.db2.gz POJYHCPJFCDOTP-HTQZYQBOSA-N -1 1 284.385 1.513 20 0 CDADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@@]2(CCOC2=O)C1 ZINC001650223427 1170847635 /nfs/dbraw/zinc/84/76/35/1170847635.db2.gz IGUPJFWYTLPOEL-CQSZACIVSA-N -1 1 297.257 1.450 20 0 CDADMM Cc1onc(CN2C[C@@H]3CCC[C@]3(CO)C2)c1C(=O)[O-] ZINC001574208227 1170919096 /nfs/dbraw/zinc/91/90/96/1170919096.db2.gz WVSSKWOYNVPFII-IINYFYTJSA-N -1 1 280.324 1.276 20 0 CDADMM Cc1ccc(Cl)c(O[C@@H](C)C(=O)OCc2nn[n-]n2)c1 ZINC001650482530 1171114988 /nfs/dbraw/zinc/11/49/88/1171114988.db2.gz LPTRAKGYJXCTMD-QMMMGPOBSA-N -1 1 296.714 1.672 20 0 CDADMM Cn1[n-]cc2c(=NC(=O)NCCC3CSC3)ccnc1-2 ZINC001650507781 1171136131 /nfs/dbraw/zinc/13/61/31/1171136131.db2.gz QPPABYYFWSRPKD-UHFFFAOYSA-N -1 1 291.380 1.216 20 0 CDADMM C[C@H](CCC(C)(C)C)C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001650581560 1171204889 /nfs/dbraw/zinc/20/48/89/1171204889.db2.gz DALVZXPVSYJYEG-MNOVXSKESA-N -1 1 279.388 1.978 20 0 CDADMM O=C(NCc1nnnn1C1CC1)c1cc(Cl)ccc1[O-] ZINC000075201332 1172109043 /nfs/dbraw/zinc/10/90/43/1172109043.db2.gz KFQGDFUINDIAGN-UHFFFAOYSA-N -1 1 293.714 1.297 20 0 CDADMM Cn1ncc(N)c1CCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001580009850 1172322538 /nfs/dbraw/zinc/32/25/38/1172322538.db2.gz UVTWBPLTDREJIE-UHFFFAOYSA-N -1 1 296.277 1.557 20 0 CDADMM CN(C(=O)c1cc2c(cncc2Cl)s1)c1nn[n-]n1 ZINC001587343725 1172982700 /nfs/dbraw/zinc/98/27/00/1172982700.db2.gz RFYIRWRTLVLWDS-UHFFFAOYSA-N -1 1 294.727 1.739 20 0 CDADMM C[C@H](CNC(=O)c1ccc(CN2CCCCC2)o1)C(=O)[O-] ZINC001589064469 1173123001 /nfs/dbraw/zinc/12/30/01/1173123001.db2.gz PWEFVPNMTVQOBN-LLVKDONJSA-N -1 1 294.351 1.716 20 0 CDADMM C[C@@H](CO)[C@H]1CCCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001589887361 1173195947 /nfs/dbraw/zinc/19/59/47/1173195947.db2.gz RJNBMSMYEGIJCT-GXFFZTMASA-N -1 1 288.355 1.249 20 0 CDADMM C[C@@H](CO)[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001589887361 1173195958 /nfs/dbraw/zinc/19/59/58/1173195958.db2.gz RJNBMSMYEGIJCT-GXFFZTMASA-N -1 1 288.355 1.249 20 0 CDADMM CC1(C)CC[C@@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590092347 1173244121 /nfs/dbraw/zinc/24/41/21/1173244121.db2.gz HCHQYDULVWIHSR-VIFPVBQESA-N -1 1 277.353 1.847 20 0 CDADMM CC1(C)CC(COC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590080510 1173249909 /nfs/dbraw/zinc/24/99/09/1173249909.db2.gz NDPAPQYBPALYOB-UHFFFAOYSA-N -1 1 287.323 1.855 20 0 CDADMM CC1(C)CC(COC(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590080510 1173249914 /nfs/dbraw/zinc/24/99/14/1173249914.db2.gz NDPAPQYBPALYOB-UHFFFAOYSA-N -1 1 287.323 1.855 20 0 CDADMM CC1(C)CCCC[C@@H]1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001590093988 1173253913 /nfs/dbraw/zinc/25/39/13/1173253913.db2.gz AAUIKDXDHPPEJA-SECBINFHSA-N -1 1 289.343 1.502 20 0 CDADMM C[C@@]1(F)CCCN(C(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001590141991 1173270008 /nfs/dbraw/zinc/27/00/08/1173270008.db2.gz QXKGCGPKKDAFOF-GFCCVEGCSA-N -1 1 295.343 1.892 20 0 CDADMM C[C@@H]1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CO1 ZINC001590212355 1173295328 /nfs/dbraw/zinc/29/53/28/1173295328.db2.gz RKYGQVDHVFHCQX-RFZPGFLSSA-N -1 1 286.748 1.566 20 0 CDADMM C[C@@H]1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CO1 ZINC001590212355 1173295332 /nfs/dbraw/zinc/29/53/32/1173295332.db2.gz RKYGQVDHVFHCQX-RFZPGFLSSA-N -1 1 286.748 1.566 20 0 CDADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001590217013 1173296143 /nfs/dbraw/zinc/29/61/43/1173296143.db2.gz CVRVEQDYKPXCMG-QTKMDUPCSA-N -1 1 298.350 1.517 20 0 CDADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001590217013 1173296142 /nfs/dbraw/zinc/29/61/42/1173296142.db2.gz CVRVEQDYKPXCMG-QTKMDUPCSA-N -1 1 298.350 1.517 20 0 CDADMM C[C@@H]1CCN1C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590276169 1173337404 /nfs/dbraw/zinc/33/74/04/1173337404.db2.gz JFWARZQYDVCZMN-SSDOTTSWSA-N -1 1 261.260 1.240 20 0 CDADMM C[C@@H]1OCC[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001590339947 1173367157 /nfs/dbraw/zinc/36/71/57/1173367157.db2.gz XMTWAXLTTMGKOR-CBAPKCEASA-N -1 1 294.336 1.396 20 0 CDADMM CCC(C)(C)NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590377290 1173380732 /nfs/dbraw/zinc/38/07/32/1173380732.db2.gz VMHDGNUUOINRDV-UHFFFAOYSA-N -1 1 294.384 1.916 20 0 CDADMM CC[C@](C)(COC(=O)c1cc(-c2nnn[n-]2)oc1C)OC ZINC001590383187 1173384608 /nfs/dbraw/zinc/38/46/08/1173384608.db2.gz UUCMMPBHRGVCBO-CYBMUJFWSA-N -1 1 294.311 1.740 20 0 CDADMM CC[C@](C)(COC(=O)c1cc(-c2nn[n-]n2)oc1C)OC ZINC001590383187 1173384613 /nfs/dbraw/zinc/38/46/13/1173384613.db2.gz UUCMMPBHRGVCBO-CYBMUJFWSA-N -1 1 294.311 1.740 20 0 CDADMM CC[C@@H](C)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001590396047 1173387201 /nfs/dbraw/zinc/38/72/01/1173387201.db2.gz IYXDWWVCCVLJOV-MRVPVSSYSA-N -1 1 291.359 1.803 20 0 CDADMM CC[C@@H](C)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001590396047 1173387207 /nfs/dbraw/zinc/38/72/07/1173387207.db2.gz IYXDWWVCCVLJOV-MRVPVSSYSA-N -1 1 291.359 1.803 20 0 CDADMM CC[C@@H]1CN(c2ccnc(-c3nnn[n-]3)c2)C[C@@H](C)O1 ZINC001590523350 1173451416 /nfs/dbraw/zinc/45/14/16/1173451416.db2.gz WXIMQLXLLRNFGG-MWLCHTKSSA-N -1 1 274.328 1.265 20 0 CDADMM CC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)c2)C[C@@H](C)O1 ZINC001590523350 1173451420 /nfs/dbraw/zinc/45/14/20/1173451420.db2.gz WXIMQLXLLRNFGG-MWLCHTKSSA-N -1 1 274.328 1.265 20 0 CDADMM CC[C@H]1CN(c2ccc(C)c(-c3nnn[n-]3)n2)CCCO1 ZINC001590523376 1173451893 /nfs/dbraw/zinc/45/18/93/1173451893.db2.gz XCZFQJIRSJGJBE-NSHDSACASA-N -1 1 288.355 1.575 20 0 CDADMM CC[C@H]1CN(c2ccc(C)c(-c3nn[n-]n3)n2)CCCO1 ZINC001590523376 1173451901 /nfs/dbraw/zinc/45/19/01/1173451901.db2.gz XCZFQJIRSJGJBE-NSHDSACASA-N -1 1 288.355 1.575 20 0 CDADMM CCCc1cc(NC(=O)c2cccc(-c3nnn[n-]3)n2)n[nH]1 ZINC001590657456 1173484425 /nfs/dbraw/zinc/48/44/25/1173484425.db2.gz HVJDSNDXCYAFOP-UHFFFAOYSA-N -1 1 298.310 1.190 20 0 CDADMM CCCc1cc(NC(=O)c2cccc(-c3nn[n-]n3)n2)n[nH]1 ZINC001590657456 1173484430 /nfs/dbraw/zinc/48/44/30/1173484430.db2.gz HVJDSNDXCYAFOP-UHFFFAOYSA-N -1 1 298.310 1.190 20 0 CDADMM CCOC(=O)[C@H](C)CNc1nc(-c2nnn[n-]2)ccc1C ZINC001590750458 1173507960 /nfs/dbraw/zinc/50/79/60/1173507960.db2.gz KNKZRZCCWQSSJR-SECBINFHSA-N -1 1 290.327 1.181 20 0 CDADMM CCOC(=O)[C@H](C)CNc1nc(-c2nn[n-]n2)ccc1C ZINC001590750458 1173507964 /nfs/dbraw/zinc/50/79/64/1173507964.db2.gz KNKZRZCCWQSSJR-SECBINFHSA-N -1 1 290.327 1.181 20 0 CDADMM CC[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590860617 1173530731 /nfs/dbraw/zinc/53/07/31/1173530731.db2.gz ULRFTIKUIRXXRB-RNFRBKRXSA-N -1 1 299.381 1.005 20 0 CDADMM CC[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590860617 1173530735 /nfs/dbraw/zinc/53/07/35/1173530735.db2.gz ULRFTIKUIRXXRB-RNFRBKRXSA-N -1 1 299.381 1.005 20 0 CDADMM CCc1ccccc1CCn1cnc(-c2nn[n-]n2)n1 ZINC001590897736 1173535762 /nfs/dbraw/zinc/53/57/62/1173535762.db2.gz PDERHXVKFCDJSM-UHFFFAOYSA-N -1 1 269.312 1.263 20 0 CDADMM CCc1cccc(Cn2cncc(-c3nn[n-]n3)c2=O)c1 ZINC001590894315 1173536194 /nfs/dbraw/zinc/53/61/94/1173536194.db2.gz DMOURYZNBRHLEL-UHFFFAOYSA-N -1 1 282.307 1.034 20 0 CDADMM CCc1nc(C)c(CNc2ncncc2-c2nn[n-]n2)o1 ZINC001590911555 1173540952 /nfs/dbraw/zinc/54/09/52/1173540952.db2.gz JBZLGRCHDLVVDF-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CCc1nc(N[C@H]2CC[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001590917775 1173541598 /nfs/dbraw/zinc/54/15/98/1173541598.db2.gz YEEIBVHDNKSENQ-BDAKNGLRSA-N -1 1 273.344 1.820 20 0 CDADMM CCc1nc(N[C@H]2CC[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001590917775 1173541601 /nfs/dbraw/zinc/54/16/01/1173541601.db2.gz YEEIBVHDNKSENQ-BDAKNGLRSA-N -1 1 273.344 1.820 20 0 CDADMM CN(C)c1cccc(CNc2ncncc2-c2nn[n-]n2)c1 ZINC001591035127 1173562797 /nfs/dbraw/zinc/56/27/97/1173562797.db2.gz UVRGNBSAOKIHAY-UHFFFAOYSA-N -1 1 296.338 1.335 20 0 CDADMM CN(CCC1CC1)C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591064410 1173567161 /nfs/dbraw/zinc/56/71/61/1173567161.db2.gz LAEUGMJAPUYLJE-UHFFFAOYSA-N -1 1 289.314 1.878 20 0 CDADMM CN(CCC1CC1)C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591064410 1173567165 /nfs/dbraw/zinc/56/71/65/1173567165.db2.gz LAEUGMJAPUYLJE-UHFFFAOYSA-N -1 1 289.314 1.878 20 0 CDADMM CN(C[C@@H]1CC=CCC1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591054772 1173569612 /nfs/dbraw/zinc/56/96/12/1173569612.db2.gz PGXRTNPWPWBCCE-SNVBAGLBSA-N -1 1 287.323 1.888 20 0 CDADMM CN(C[C@@H]1CC=CCC1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591054772 1173569615 /nfs/dbraw/zinc/56/96/15/1173569615.db2.gz PGXRTNPWPWBCCE-SNVBAGLBSA-N -1 1 287.323 1.888 20 0 CDADMM CN(Cc1ccco1)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591149715 1173582442 /nfs/dbraw/zinc/58/24/42/1173582442.db2.gz ZWTDYSNEKUIHJK-UHFFFAOYSA-N -1 1 284.279 1.127 20 0 CDADMM CN(Cc1ccco1)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591149715 1173582445 /nfs/dbraw/zinc/58/24/45/1173582445.db2.gz ZWTDYSNEKUIHJK-UHFFFAOYSA-N -1 1 284.279 1.127 20 0 CDADMM COC(=O)[C@H](C)SCc1ccc(-c2nnn[n-]2)o1 ZINC001591230136 1173595434 /nfs/dbraw/zinc/59/54/34/1173595434.db2.gz BYUXKMZXEMJDMQ-LURJTMIESA-N -1 1 268.298 1.254 20 0 CDADMM COC(=O)[C@H](C)SCc1ccc(-c2nn[n-]n2)o1 ZINC001591230136 1173595442 /nfs/dbraw/zinc/59/54/42/1173595442.db2.gz BYUXKMZXEMJDMQ-LURJTMIESA-N -1 1 268.298 1.254 20 0 CDADMM CO[C@@H](CNc1cc(-c2nnn[n-]2)ncn1)C(C)(C)C ZINC001591329699 1173614826 /nfs/dbraw/zinc/61/48/26/1173614826.db2.gz QPEOYJWVMZJAMO-VIFPVBQESA-N -1 1 277.332 1.130 20 0 CDADMM CO[C@@H](CNc1cc(-c2nn[n-]n2)ncn1)C(C)(C)C ZINC001591329699 1173614829 /nfs/dbraw/zinc/61/48/29/1173614829.db2.gz QPEOYJWVMZJAMO-VIFPVBQESA-N -1 1 277.332 1.130 20 0 CDADMM CO[C@H]1CCC[C@@H]1CNc1nc(-c2nn[n-]n2)ccc1C ZINC001591360733 1173631217 /nfs/dbraw/zinc/63/12/17/1173631217.db2.gz JRUKIFCMBRMFRT-PWSUYJOCSA-N -1 1 288.355 1.797 20 0 CDADMM COCC[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591398619 1173644315 /nfs/dbraw/zinc/64/43/15/1173644315.db2.gz ZIAHFAGMDMUUKU-MRVPVSSYSA-N -1 1 293.327 1.171 20 0 CDADMM COCC[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591398619 1173644320 /nfs/dbraw/zinc/64/43/20/1173644320.db2.gz ZIAHFAGMDMUUKU-MRVPVSSYSA-N -1 1 293.327 1.171 20 0 CDADMM COc1c(-c2nn[n-]n2)ccc(=O)n1CCCCCF ZINC001591474559 1173661166 /nfs/dbraw/zinc/66/11/66/1173661166.db2.gz FJDUEQXKTOHZCL-UHFFFAOYSA-N -1 1 281.291 1.177 20 0 CDADMM CS[C@H]1C[C@H](Nc2cccnc2-c2nnn[n-]2)C1 ZINC001591702510 1173689584 /nfs/dbraw/zinc/68/95/84/1173689584.db2.gz IRQZSXGKEBJHQE-ZKCHVHJHSA-N -1 1 262.342 1.568 20 0 CDADMM CS[C@H]1C[C@H](Nc2cccnc2-c2nn[n-]n2)C1 ZINC001591702510 1173689590 /nfs/dbraw/zinc/68/95/90/1173689590.db2.gz IRQZSXGKEBJHQE-ZKCHVHJHSA-N -1 1 262.342 1.568 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)[C@H](C)CCO1 ZINC001591741627 1173693545 /nfs/dbraw/zinc/69/35/45/1173693545.db2.gz DYHSIDNZWFYZMT-RKDXNWHRSA-N -1 1 291.311 1.099 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)[C@H](C)CCO1 ZINC001591741627 1173693549 /nfs/dbraw/zinc/69/35/49/1173693549.db2.gz DYHSIDNZWFYZMT-RKDXNWHRSA-N -1 1 291.311 1.099 20 0 CDADMM C[C@H](CC(F)(F)F)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001591759545 1173694123 /nfs/dbraw/zinc/69/41/23/1173694123.db2.gz BCHHSBXROIEJDA-SCSAIBSYSA-N -1 1 289.221 1.117 20 0 CDADMM C[C@H](CC(F)(F)F)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001591759545 1173694128 /nfs/dbraw/zinc/69/41/28/1173694128.db2.gz BCHHSBXROIEJDA-SCSAIBSYSA-N -1 1 289.221 1.117 20 0 CDADMM C[C@@H]1[C@@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1(F)F ZINC001591753606 1173696159 /nfs/dbraw/zinc/69/61/59/1173696159.db2.gz MHDWFOUSYVKWNM-ANLVUFKYSA-N -1 1 295.249 1.412 20 0 CDADMM C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccco1 ZINC001591771498 1173699443 /nfs/dbraw/zinc/69/94/43/1173699443.db2.gz VJAUYMZPLGFAAN-QMMMGPOBSA-N -1 1 285.263 1.773 20 0 CDADMM C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccco1 ZINC001591771498 1173699445 /nfs/dbraw/zinc/69/94/45/1173699445.db2.gz VJAUYMZPLGFAAN-QMMMGPOBSA-N -1 1 285.263 1.773 20 0 CDADMM Cc1c(-c2nnn[n-]2)c(NC(=O)CCC2CC2)nn1C ZINC001591798638 1173707273 /nfs/dbraw/zinc/70/72/73/1173707273.db2.gz MBFLEKYXBXVQDM-UHFFFAOYSA-N -1 1 275.316 1.037 20 0 CDADMM Cc1c(-c2nn[n-]n2)c(NC(=O)CCC2CC2)nn1C ZINC001591798638 1173707278 /nfs/dbraw/zinc/70/72/78/1173707278.db2.gz MBFLEKYXBXVQDM-UHFFFAOYSA-N -1 1 275.316 1.037 20 0 CDADMM Cc1nnc(Sc2nc(C)cc(-c3nnn[n-]3)n2)s1 ZINC001591904376 1173735568 /nfs/dbraw/zinc/73/55/68/1173735568.db2.gz WFNCLMSLVSYXGU-UHFFFAOYSA-N -1 1 292.353 1.276 20 0 CDADMM Cc1nnc(Sc2nc(C)cc(-c3nn[n-]n3)n2)s1 ZINC001591904376 1173735573 /nfs/dbraw/zinc/73/55/73/1173735573.db2.gz WFNCLMSLVSYXGU-UHFFFAOYSA-N -1 1 292.353 1.276 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCC[C@@H](C)O2)n1 ZINC001591895046 1173742639 /nfs/dbraw/zinc/74/26/39/1173742639.db2.gz OFGIZVZXXPWKPA-ZJUUUORDSA-N -1 1 289.343 1.335 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCC[C@@H](C)O2)n1 ZINC001591895046 1173742643 /nfs/dbraw/zinc/74/26/43/1173742643.db2.gz OFGIZVZXXPWKPA-ZJUUUORDSA-N -1 1 289.343 1.335 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(S[C@@H]2CCO[C@@H]2C)n1 ZINC001591904599 1173745548 /nfs/dbraw/zinc/74/55/48/1173745548.db2.gz ZMQXSQMETLBUTJ-VXNVDRBHSA-N -1 1 278.341 1.235 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(S[C@@H]2CCO[C@@H]2C)n1 ZINC001591904599 1173745552 /nfs/dbraw/zinc/74/55/52/1173745552.db2.gz ZMQXSQMETLBUTJ-VXNVDRBHSA-N -1 1 278.341 1.235 20 0 CDADMM Cc1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c(C)s1 ZINC001591940029 1173749277 /nfs/dbraw/zinc/74/92/77/1173749277.db2.gz JBGBSXWCVCFWGJ-UHFFFAOYSA-N -1 1 289.324 1.012 20 0 CDADMM Cc1cc(C)cc(CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001591951333 1173751931 /nfs/dbraw/zinc/75/19/31/1173751931.db2.gz QRLUPKFYHGAJIQ-UHFFFAOYSA-N -1 1 281.323 1.308 20 0 CDADMM Cc1cc(CSc2cccnc2-c2nnn[n-]2)nc(C)n1 ZINC001591973350 1173763140 /nfs/dbraw/zinc/76/31/40/1173763140.db2.gz SUWKLNFDNUDHOC-UHFFFAOYSA-N -1 1 299.363 1.961 20 0 CDADMM Cc1cc(CSc2cccnc2-c2nn[n-]n2)nc(C)n1 ZINC001591973350 1173763146 /nfs/dbraw/zinc/76/31/46/1173763146.db2.gz SUWKLNFDNUDHOC-UHFFFAOYSA-N -1 1 299.363 1.961 20 0 CDADMM Cc1cc(N[C@@H](C)C2CCCC2)cc(-c2nnn[n-]2)n1 ZINC001592054201 1173788570 /nfs/dbraw/zinc/78/85/70/1173788570.db2.gz WVHWZBRUMCWLDH-JTQLQIEISA-N -1 1 272.356 1.983 20 0 CDADMM Cc1cc(N[C@@H](C)C2CCCC2)cc(-c2nn[n-]n2)n1 ZINC001592054201 1173788576 /nfs/dbraw/zinc/78/85/76/1173788576.db2.gz WVHWZBRUMCWLDH-JTQLQIEISA-N -1 1 272.356 1.983 20 0 CDADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCC[C@H]1C[C@@H](C)O ZINC001592110354 1173803199 /nfs/dbraw/zinc/80/31/99/1173803199.db2.gz MMDVBEHAIJQFSZ-MNOVXSKESA-N -1 1 288.355 1.310 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC[C@H]1C[C@@H](C)O ZINC001592110354 1173803203 /nfs/dbraw/zinc/80/32/03/1173803203.db2.gz MMDVBEHAIJQFSZ-MNOVXSKESA-N -1 1 288.355 1.310 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H]1CC[C@@H](C)O1 ZINC001592113410 1173805565 /nfs/dbraw/zinc/80/55/65/1173805565.db2.gz GDUZFPSRUGCJOJ-ZJUUUORDSA-N -1 1 274.328 1.550 20 0 CDADMM Cc1c([C@H](C)Nc2nc(-c3nn[n-]n3)ccc2C)cnn1C ZINC001592113499 1173806327 /nfs/dbraw/zinc/80/63/27/1173806327.db2.gz HMULNJBQRUYYBU-VIFPVBQESA-N -1 1 298.354 1.785 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCCN(C)CC(F)F ZINC001592114707 1173806349 /nfs/dbraw/zinc/80/63/49/1173806349.db2.gz UHCMBAOZJPUNPD-UHFFFAOYSA-N -1 1 297.313 1.179 20 0 CDADMM Cc1ccc(N2CCO[C@H](C(F)F)C2)c(-c2nnn[n-]2)n1 ZINC001592176086 1173823053 /nfs/dbraw/zinc/82/30/53/1173823053.db2.gz OXGVDUZFDMKCQW-VIFPVBQESA-N -1 1 296.281 1.040 20 0 CDADMM Cc1ccc(N2CCO[C@H](C(F)F)C2)c(-c2nn[n-]n2)n1 ZINC001592176086 1173823057 /nfs/dbraw/zinc/82/30/57/1173823057.db2.gz OXGVDUZFDMKCQW-VIFPVBQESA-N -1 1 296.281 1.040 20 0 CDADMM Cc1ccc(N(C)CCc2ccccn2)nc1-c1nnn[n-]1 ZINC001592175605 1173824403 /nfs/dbraw/zinc/82/44/03/1173824403.db2.gz PUMDTIRTEBBXOO-UHFFFAOYSA-N -1 1 295.350 1.644 20 0 CDADMM Cc1ccc(N(C)CCc2ccccn2)nc1-c1nn[n-]n1 ZINC001592175605 1173824413 /nfs/dbraw/zinc/82/44/13/1173824413.db2.gz PUMDTIRTEBBXOO-UHFFFAOYSA-N -1 1 295.350 1.644 20 0 CDADMM Cc1ccc(NC[C@@H]2CCCS2)nc1-c1nnn[n-]1 ZINC001592183144 1173825032 /nfs/dbraw/zinc/82/50/32/1173825032.db2.gz NSTYSCYLKHHKCP-VIFPVBQESA-N -1 1 276.369 1.878 20 0 CDADMM Cc1ccc(NC[C@@H]2CCCS2)nc1-c1nn[n-]n1 ZINC001592183144 1173825035 /nfs/dbraw/zinc/82/50/35/1173825035.db2.gz NSTYSCYLKHHKCP-VIFPVBQESA-N -1 1 276.369 1.878 20 0 CDADMM Cc1ccc(N2CC[C@@H]3COC[C@H]3C2)c(-c2nnn[n-]2)n1 ZINC001592177572 1173825540 /nfs/dbraw/zinc/82/55/40/1173825540.db2.gz BOBYHYICWLEQFI-GHMZBOCLSA-N -1 1 286.339 1.043 20 0 CDADMM Cc1ccc(N2CC[C@@H]3COC[C@H]3C2)c(-c2nn[n-]n2)n1 ZINC001592177572 1173825544 /nfs/dbraw/zinc/82/55/44/1173825544.db2.gz BOBYHYICWLEQFI-GHMZBOCLSA-N -1 1 286.339 1.043 20 0 CDADMM Cc1ccc(N2CC[C@H]3C[C@H]3C2)c(-c2nnn[n-]2)n1 ZINC001592177589 1173825999 /nfs/dbraw/zinc/82/59/99/1173825999.db2.gz BVULKUMNXHVHJP-UWVGGRQHSA-N -1 1 256.313 1.416 20 0 CDADMM Cc1ccc(N2CC[C@H]3C[C@H]3C2)c(-c2nn[n-]n2)n1 ZINC001592177589 1173826004 /nfs/dbraw/zinc/82/60/04/1173826004.db2.gz BVULKUMNXHVHJP-UWVGGRQHSA-N -1 1 256.313 1.416 20 0 CDADMM Cc1ccncc1N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001592279180 1173843979 /nfs/dbraw/zinc/84/39/79/1173843979.db2.gz MRNCCHDCHDYXAO-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM Cc1ccncc1N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001592279180 1173843984 /nfs/dbraw/zinc/84/39/84/1173843984.db2.gz MRNCCHDCHDYXAO-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@H]2CCC[C@H](C)C2)c1-c1nn[n-]n1 ZINC001592327114 1173855528 /nfs/dbraw/zinc/85/55/28/1173855528.db2.gz CMPACWNJQLPWRW-CBAPKCEASA-N -1 1 289.343 1.663 20 0 CDADMM Cc1[nH]nc(NC(=O)CC2CCCCC2)c1-c1nn[n-]n1 ZINC001592328937 1173855902 /nfs/dbraw/zinc/85/59/02/1173855902.db2.gz ZSNOLUCRMWLYOP-UHFFFAOYSA-N -1 1 289.343 1.807 20 0 CDADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCOC2CCC2)n1 ZINC001592353491 1173864060 /nfs/dbraw/zinc/86/40/60/1173864060.db2.gz NELOLKIMOSTBPL-UHFFFAOYSA-N -1 1 292.368 1.892 20 0 CDADMM Cc1nc(NCc2cccc(CO)c2)cc(-c2nnn[n-]2)n1 ZINC001592396249 1173882186 /nfs/dbraw/zinc/88/21/86/1173882186.db2.gz WLCFUNSNONFAHA-UHFFFAOYSA-N -1 1 297.322 1.070 20 0 CDADMM Cc1nc(NCc2cccc(CO)c2)cc(-c2nn[n-]n2)n1 ZINC001592396249 1173882192 /nfs/dbraw/zinc/88/21/92/1173882192.db2.gz WLCFUNSNONFAHA-UHFFFAOYSA-N -1 1 297.322 1.070 20 0 CDADMM Cc1noc(C)c1CNc1n[nH]c(C)c1-c1nnn[n-]1 ZINC001592459837 1173896326 /nfs/dbraw/zinc/89/63/26/1173896326.db2.gz WMFPUDYQCGMWIS-UHFFFAOYSA-N -1 1 274.288 1.115 20 0 CDADMM Cc1noc(C)c1CNc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001592459837 1173896330 /nfs/dbraw/zinc/89/63/30/1173896330.db2.gz WMFPUDYQCGMWIS-UHFFFAOYSA-N -1 1 274.288 1.115 20 0 CDADMM Cc1oncc1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001592516861 1173909957 /nfs/dbraw/zinc/90/99/57/1173909957.db2.gz BPQLJJRUDCFRIW-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1oncc1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001592516861 1173909962 /nfs/dbraw/zinc/90/99/62/1173909962.db2.gz BPQLJJRUDCFRIW-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM ClC1=CCCN(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001592525201 1173911213 /nfs/dbraw/zinc/91/12/13/1173911213.db2.gz ZFCPEDHXOAOGDP-UHFFFAOYSA-N -1 1 265.704 1.788 20 0 CDADMM ClC1=CCCN(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001592525201 1173911219 /nfs/dbraw/zinc/91/12/19/1173911219.db2.gz ZFCPEDHXOAOGDP-UHFFFAOYSA-N -1 1 265.704 1.788 20 0 CDADMM FC(F)CN1CC[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001592625326 1173933273 /nfs/dbraw/zinc/93/32/73/1173933273.db2.gz TZBFUQMISJWZNF-MRVPVSSYSA-N -1 1 295.297 1.013 20 0 CDADMM FC(F)CN1CC[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001592625326 1173933280 /nfs/dbraw/zinc/93/32/80/1173933280.db2.gz TZBFUQMISJWZNF-MRVPVSSYSA-N -1 1 295.297 1.013 20 0 CDADMM FC1(F)CCC[C@@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001592628007 1173935853 /nfs/dbraw/zinc/93/58/53/1173935853.db2.gz LCYOBECAPZPPJR-VIFPVBQESA-N -1 1 266.255 1.283 20 0 CDADMM FC1(F)CCC[C@@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001592628007 1173935856 /nfs/dbraw/zinc/93/58/56/1173935856.db2.gz LCYOBECAPZPPJR-VIFPVBQESA-N -1 1 266.255 1.283 20 0 CDADMM Fc1ccc2c(c1)CN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001592654369 1173954341 /nfs/dbraw/zinc/95/43/41/1173954341.db2.gz HNHXECVFFQSQMW-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM Fc1ccc2c(c1)CN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001592654369 1173954343 /nfs/dbraw/zinc/95/43/43/1173954343.db2.gz HNHXECVFFQSQMW-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM Fc1cccc(CNc2ncncc2-c2nn[n-]n2)c1 ZINC001592657330 1173955745 /nfs/dbraw/zinc/95/57/45/1173955745.db2.gz LIOGESWFSGDJSS-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM O=C(NCc1ccc[nH]1)c1ccsc1-c1nnn[n-]1 ZINC001593140700 1174024520 /nfs/dbraw/zinc/02/45/20/1174024520.db2.gz LTZVHHQJTKYCKM-UHFFFAOYSA-N -1 1 274.309 1.186 20 0 CDADMM O=C(NCc1ccc[nH]1)c1ccsc1-c1nn[n-]n1 ZINC001593140700 1174024525 /nfs/dbraw/zinc/02/45/25/1174024525.db2.gz LTZVHHQJTKYCKM-UHFFFAOYSA-N -1 1 274.309 1.186 20 0 CDADMM O=C(NCc1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593143835 1174026773 /nfs/dbraw/zinc/02/67/73/1174026773.db2.gz HLSNBIJXGMVUMV-UHFFFAOYSA-N -1 1 297.293 1.936 20 0 CDADMM O=C(NCc1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593143835 1174026780 /nfs/dbraw/zinc/02/67/80/1174026780.db2.gz HLSNBIJXGMVUMV-UHFFFAOYSA-N -1 1 297.293 1.936 20 0 CDADMM O=C(Nc1cc(C2CC2)ccn1)c1coc(-c2nnn[n-]2)c1 ZINC001593206224 1174032627 /nfs/dbraw/zinc/03/26/27/1174032627.db2.gz ZDIJPVVNPFIFBR-UHFFFAOYSA-N -1 1 296.290 1.984 20 0 CDADMM O=C(Nc1cc(C2CC2)ccn1)c1coc(-c2nn[n-]n2)c1 ZINC001593206224 1174032636 /nfs/dbraw/zinc/03/26/36/1174032636.db2.gz ZDIJPVVNPFIFBR-UHFFFAOYSA-N -1 1 296.290 1.984 20 0 CDADMM O=C(Nc1cccnc1F)c1csc(-c2nn[n-]n2)c1 ZINC001593254157 1174039354 /nfs/dbraw/zinc/03/93/54/1174039354.db2.gz DRCRRDKSUBTNRA-UHFFFAOYSA-N -1 1 290.283 1.715 20 0 CDADMM O=C(OC[C@@H]1C[C@]12CCOC2)c1ccc(-c2nn[n-]n2)o1 ZINC001593285356 1174052447 /nfs/dbraw/zinc/05/24/47/1174052447.db2.gz TYVINLQJEVESFV-SDBXPKJASA-N -1 1 290.279 1.043 20 0 CDADMM O=C(OCCC1CCCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593287400 1174054972 /nfs/dbraw/zinc/05/49/72/1174054972.db2.gz XDXBJQDBMFBCEZ-UHFFFAOYSA-N -1 1 287.323 1.999 20 0 CDADMM O=C(OCCC1CCCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593287400 1174054977 /nfs/dbraw/zinc/05/49/77/1174054977.db2.gz XDXBJQDBMFBCEZ-UHFFFAOYSA-N -1 1 287.323 1.999 20 0 CDADMM O=C(OCCCC1CCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593287115 1174055575 /nfs/dbraw/zinc/05/55/75/1174055575.db2.gz FAAAUOSKPJENPH-UHFFFAOYSA-N -1 1 287.323 1.999 20 0 CDADMM O=C(OCCCC1CCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593287115 1174055580 /nfs/dbraw/zinc/05/55/80/1174055580.db2.gz FAAAUOSKPJENPH-UHFFFAOYSA-N -1 1 287.323 1.999 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1ccc(Cl)nc1 ZINC001593494709 1174088679 /nfs/dbraw/zinc/08/86/79/1174088679.db2.gz UNUBOGSSCHNEFA-UHFFFAOYSA-N -1 1 288.698 1.125 20 0 CDADMM O[C@H](CNc1ncncc1-c1nn[n-]n1)C1CCCCC1 ZINC001593508262 1174093144 /nfs/dbraw/zinc/09/31/44/1174093144.db2.gz ZZXKXQZGBPBVQX-LLVKDONJSA-N -1 1 289.343 1.010 20 0 CDADMM OCCc1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001593532395 1174107126 /nfs/dbraw/zinc/10/71/26/1174107126.db2.gz VLZBYTKEMCJYRO-UHFFFAOYSA-N -1 1 296.334 1.409 20 0 CDADMM OCCc1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001593532395 1174107135 /nfs/dbraw/zinc/10/71/35/1174107135.db2.gz VLZBYTKEMCJYRO-UHFFFAOYSA-N -1 1 296.334 1.409 20 0 CDADMM c1ncc(-c2noc(-c3cccc(-c4nnn[n-]4)n3)n2)s1 ZINC001593549851 1174122364 /nfs/dbraw/zinc/12/23/64/1174122364.db2.gz GCJQNQODXMLHQJ-UHFFFAOYSA-N -1 1 298.291 1.435 20 0 CDADMM c1ncc(-c2noc(-c3cccc(-c4nn[n-]n4)n3)n2)s1 ZINC001593549851 1174122367 /nfs/dbraw/zinc/12/23/67/1174122367.db2.gz GCJQNQODXMLHQJ-UHFFFAOYSA-N -1 1 298.291 1.435 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001593551784 1174124655 /nfs/dbraw/zinc/12/46/55/1174124655.db2.gz POYGQTNGVYEUTJ-ATZCPNFKSA-N -1 1 271.328 1.647 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001593551784 1174124663 /nfs/dbraw/zinc/12/46/63/1174124663.db2.gz POYGQTNGVYEUTJ-ATZCPNFKSA-N -1 1 271.328 1.647 20 0 CDADMM c1cc(N2CC[C@H](C3CCCC3)C2)nc(-c2nn[n-]n2)n1 ZINC001593556989 1174130756 /nfs/dbraw/zinc/13/07/56/1174130756.db2.gz AXHPJIPTJWHUCL-NSHDSACASA-N -1 1 285.355 1.673 20 0 CDADMM c1cc(N[C@@H]2CCOC3(CCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001593557925 1174134378 /nfs/dbraw/zinc/13/43/78/1174134378.db2.gz CLAUQCQBCGYBGB-LLVKDONJSA-N -1 1 286.339 1.197 20 0 CDADMM c1cc(N[C@@H]2CCOC3(CCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001593557925 1174134381 /nfs/dbraw/zinc/13/43/81/1174134381.db2.gz CLAUQCQBCGYBGB-LLVKDONJSA-N -1 1 286.339 1.197 20 0 CDADMM c1cc(NCC[C@@H]2CCSC2)cc(-c2nn[n-]n2)n1 ZINC001593561551 1174139096 /nfs/dbraw/zinc/13/90/96/1174139096.db2.gz YOBPKLJVHDYPQV-SECBINFHSA-N -1 1 276.369 1.817 20 0 CDADMM c1cc(NCC[C@@H]2CCSC2)cc(-c2nnn[n-]2)n1 ZINC001593561551 1174139093 /nfs/dbraw/zinc/13/90/93/1174139093.db2.gz YOBPKLJVHDYPQV-SECBINFHSA-N -1 1 276.369 1.817 20 0 CDADMM c1cc2c(c(CNc3ccc(-c4nnn[n-]4)nn3)c1)OCC2 ZINC001593567399 1174142465 /nfs/dbraw/zinc/14/24/65/1174142465.db2.gz XYCMYAGTIZRLJP-UHFFFAOYSA-N -1 1 295.306 1.204 20 0 CDADMM c1cc2c(c(CNc3ccc(-c4nn[n-]n4)nn3)c1)OCC2 ZINC001593567399 1174142469 /nfs/dbraw/zinc/14/24/69/1174142469.db2.gz XYCMYAGTIZRLJP-UHFFFAOYSA-N -1 1 295.306 1.204 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@@H]2C[C@@H]3CCC[C@@H]23)c1 ZINC001593582917 1174149429 /nfs/dbraw/zinc/14/94/29/1174149429.db2.gz GACCVZJVBNLXTQ-IQJOONFLSA-N -1 1 256.313 1.862 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@@H]2C[C@@H]3CCC[C@@H]23)c1 ZINC001593582917 1174149434 /nfs/dbraw/zinc/14/94/34/1174149434.db2.gz GACCVZJVBNLXTQ-IQJOONFLSA-N -1 1 256.313 1.862 20 0 CDADMM c1csc(CNc2cccnc2-c2nnn[n-]2)n1 ZINC001593584226 1174153035 /nfs/dbraw/zinc/15/30/35/1174153035.db2.gz JHOPKNNHARUZSP-UHFFFAOYSA-N -1 1 259.298 1.330 20 0 CDADMM c1csc(CNc2cccnc2-c2nn[n-]n2)n1 ZINC001593584226 1174153040 /nfs/dbraw/zinc/15/30/40/1174153040.db2.gz JHOPKNNHARUZSP-UHFFFAOYSA-N -1 1 259.298 1.330 20 0 CDADMM c1cnc([C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)nc1 ZINC001593585330 1174153592 /nfs/dbraw/zinc/15/35/92/1174153592.db2.gz RCHFUUBJQNABGR-NSHDSACASA-N -1 1 295.310 1.010 20 0 CDADMM c1cnc([C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)nc1 ZINC001593585330 1174153597 /nfs/dbraw/zinc/15/35/97/1174153597.db2.gz RCHFUUBJQNABGR-NSHDSACASA-N -1 1 295.310 1.010 20 0 CDADMM c1cn(Cc2ccc3ncccc3c2)c(-c2nnn[n-]2)n1 ZINC001593588106 1174154669 /nfs/dbraw/zinc/15/46/69/1174154669.db2.gz VULVDIXGCFTILE-UHFFFAOYSA-N -1 1 277.291 1.660 20 0 CDADMM c1cn(Cc2ccc3ncccc3c2)c(-c2nn[n-]n2)n1 ZINC001593588106 1174154672 /nfs/dbraw/zinc/15/46/72/1174154672.db2.gz VULVDIXGCFTILE-UHFFFAOYSA-N -1 1 277.291 1.660 20 0 CDADMM c1nc(NC[C@H]2CCC[C@@H]2C2CC2)cc(-c2nnn[n-]2)n1 ZINC001593590623 1174158191 /nfs/dbraw/zinc/15/81/91/1174158191.db2.gz AKHNBOZEEQUZBT-GHMZBOCLSA-N -1 1 285.355 1.895 20 0 CDADMM c1nc(NC[C@H]2CCC[C@@H]2C2CC2)cc(-c2nn[n-]n2)n1 ZINC001593590623 1174158193 /nfs/dbraw/zinc/15/81/93/1174158193.db2.gz AKHNBOZEEQUZBT-GHMZBOCLSA-N -1 1 285.355 1.895 20 0 CDADMM c1ncc(N2CC3CCC2CC3)nc1-c1nnn[n-]1 ZINC001593592798 1174159950 /nfs/dbraw/zinc/15/99/50/1174159950.db2.gz DFXQNWHDDGSUGS-UHFFFAOYSA-N -1 1 257.301 1.036 20 0 CDADMM c1ncc(N2CC3CCC2CC3)nc1-c1nn[n-]n1 ZINC001593592798 1174159954 /nfs/dbraw/zinc/15/99/54/1174159954.db2.gz DFXQNWHDDGSUGS-UHFFFAOYSA-N -1 1 257.301 1.036 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NCCOCC2CCCC2)n1 ZINC001593595112 1174165507 /nfs/dbraw/zinc/16/55/07/1174165507.db2.gz NGMSBHYLRTXFEM-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cc2[nH]cnc2cc1F ZINC001594789027 1174187910 /nfs/dbraw/zinc/18/79/10/1174187910.db2.gz NRZHSQFETUPXLJ-XCBNKYQSSA-N -1 1 291.282 1.685 20 0 CDADMM O=C(NCCc1cscn1)c1ccc(F)c([O-])c1 ZINC001595925522 1174222556 /nfs/dbraw/zinc/22/25/56/1174222556.db2.gz HJWURBSBUHAZGN-UHFFFAOYSA-N -1 1 266.297 1.960 20 0 CDADMM CCc1nnc(NC(=O)c2ccc([O-])cn2)s1 ZINC001597284237 1174266090 /nfs/dbraw/zinc/26/60/90/1174266090.db2.gz LEDAWXVNSCBNHU-UHFFFAOYSA-N -1 1 250.283 1.453 20 0 CDADMM Cc1cc(CN2C[C@@H](O)C[C@H]2C(=O)[O-])cc(C)c1O ZINC001600192172 1174398607 /nfs/dbraw/zinc/39/86/07/1174398607.db2.gz MRYZQKQQGFKVMT-RYUDHWBXSA-N -1 1 265.309 1.029 20 0 CDADMM Cc1cc(CN[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)n[nH]1 ZINC001600204077 1174406426 /nfs/dbraw/zinc/40/64/26/1174406426.db2.gz BNRIBWXOVVZKJR-CQSZACIVSA-N -1 1 287.319 1.569 20 0 CDADMM Cc1cc2[nH]ncc2cc1NC(=O)c1cnc(C(=O)[O-])cn1 ZINC001600307314 1174442084 /nfs/dbraw/zinc/44/20/84/1174442084.db2.gz RGGNIRGFZJGYGB-UHFFFAOYSA-N -1 1 297.274 1.612 20 0 CDADMM Cc1ccccc1[C@H](C(=O)[O-])N1CCc2ncncc2C1 ZINC001600567148 1174509490 /nfs/dbraw/zinc/50/94/90/1174509490.db2.gz GAEZAFUSLHKBRV-OAHLLOKOSA-N -1 1 283.331 1.969 20 0 CDADMM Cc1nn(C)cc1[C@H](C)NCc1cc(C(=O)[O-])c(C)n1C ZINC001600777664 1174607176 /nfs/dbraw/zinc/60/71/76/1174607176.db2.gz LBAGDJLHAXLHHA-VIFPVBQESA-N -1 1 290.367 1.924 20 0 CDADMM Cn1nccc1C(NCCCCC(=O)[O-])c1ccnn1C ZINC001601034756 1174709570 /nfs/dbraw/zinc/70/95/70/1174709570.db2.gz SYQXBHNTPOOEHK-UHFFFAOYSA-N -1 1 291.355 1.088 20 0 CDADMM O=C([O-])[C@H]1CCCC[C@H]1CN1CCO[C@H](C(=O)C2CC2)C1 ZINC001601226865 1174799477 /nfs/dbraw/zinc/79/94/77/1174799477.db2.gz FHCWLVGISSFAEK-IHRRRGAJSA-N -1 1 295.379 1.557 20 0 CDADMM O=C([O-])[C@@H](CNC(=O)Cc1cnc[nH]1)c1ccc(F)cc1 ZINC001601372315 1174849456 /nfs/dbraw/zinc/84/94/56/1174849456.db2.gz MHNUQTXLTSHWQU-LBPRGKRZSA-N -1 1 291.282 1.076 20 0 CDADMM O=C([O-])[C@H](CF)NCc1cnc2ccc(Cl)cn12 ZINC001601650052 1174930933 /nfs/dbraw/zinc/93/09/33/1174930933.db2.gz OCBYFCXQBWABIY-VIFPVBQESA-N -1 1 271.679 1.500 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](O)CN1Cc1ccc(F)c2ccccc12 ZINC001601772575 1174998442 /nfs/dbraw/zinc/99/84/42/1174998442.db2.gz LRCUZYHNEBUTNY-IAQYHMDHSA-N -1 1 289.306 1.999 20 0 CDADMM O=C([O-])c1ccccc1CN1CCN2C(=O)OCC[C@H]2C1 ZINC001602469050 1175249958 /nfs/dbraw/zinc/24/99/58/1175249958.db2.gz WGIRQVJXQWRCOY-LBPRGKRZSA-N -1 1 290.319 1.411 20 0 CDADMM O=C([O-])c1n[nH]c2c1CN(CC1CCC(=O)CC1)CC2 ZINC001602639419 1175334415 /nfs/dbraw/zinc/33/44/15/1175334415.db2.gz FCXDEPLRMARXFT-UHFFFAOYSA-N -1 1 277.324 1.225 20 0 CDADMM CC(C)(C)C[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001603071809 1175486093 /nfs/dbraw/zinc/48/60/93/1175486093.db2.gz QJZGGGRHJVDDQN-SNVBAGLBSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)(C)C[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001603071809 1175486097 /nfs/dbraw/zinc/48/60/97/1175486097.db2.gz QJZGGGRHJVDDQN-SNVBAGLBSA-N -1 1 287.371 1.919 20 0 CDADMM CC(=O)c1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)on1 ZINC001603103878 1175491967 /nfs/dbraw/zinc/49/19/67/1175491967.db2.gz XXTJVHWOCSFIHJ-MBNYWOFBSA-N -1 1 292.335 1.952 20 0 CDADMM CC(=O)c1cc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)on1 ZINC001603103878 1175491970 /nfs/dbraw/zinc/49/19/70/1175491970.db2.gz XXTJVHWOCSFIHJ-MBNYWOFBSA-N -1 1 292.335 1.952 20 0 CDADMM CC(C)C[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001603271663 1175530355 /nfs/dbraw/zinc/53/03/55/1175530355.db2.gz ZNLVCSBRDLVXBO-JTQLQIEISA-N -1 1 273.344 1.672 20 0 CDADMM CC(C)C[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001603271663 1175530359 /nfs/dbraw/zinc/53/03/59/1175530359.db2.gz ZNLVCSBRDLVXBO-JTQLQIEISA-N -1 1 273.344 1.672 20 0 CDADMM CC(C)[C@@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001603380103 1175549525 /nfs/dbraw/zinc/54/95/25/1175549525.db2.gz JBVAKAWHZBXGLR-RXMQYKEDSA-N -1 1 288.764 1.405 20 0 CDADMM CC(C)c1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001603397068 1175551510 /nfs/dbraw/zinc/55/15/10/1175551510.db2.gz AXOLPQUKEHHPDN-UHFFFAOYSA-N -1 1 295.350 1.814 20 0 CDADMM CC(C)(C)c1nc(COC(=O)C23CC(C(=O)[O-])(C2)C3)n[nH]1 ZINC001603551300 1175564216 /nfs/dbraw/zinc/56/42/16/1175564216.db2.gz FDIFEBPONLXMLF-UHFFFAOYSA-N -1 1 293.323 1.400 20 0 CDADMM CC(C)(C)c1nnc(COC(=O)C23CC(C(=O)[O-])(C2)C3)[nH]1 ZINC001603551300 1175564223 /nfs/dbraw/zinc/56/42/23/1175564223.db2.gz FDIFEBPONLXMLF-UHFFFAOYSA-N -1 1 293.323 1.400 20 0 CDADMM C[C@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccc[nH]1 ZINC001603688690 1175597977 /nfs/dbraw/zinc/59/79/77/1175597977.db2.gz WZDUDCPOZRCLOI-QMMMGPOBSA-N -1 1 255.285 1.185 20 0 CDADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccc[nH]1 ZINC001603688690 1175597983 /nfs/dbraw/zinc/59/79/83/1175597983.db2.gz WZDUDCPOZRCLOI-QMMMGPOBSA-N -1 1 255.285 1.185 20 0 CDADMM CC1(Nc2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001603819913 1175642767 /nfs/dbraw/zinc/64/27/67/1175642767.db2.gz CUNPWVLIJODUIU-UHFFFAOYSA-N -1 1 256.722 1.941 20 0 CDADMM CC1(Nc2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001603819913 1175642773 /nfs/dbraw/zinc/64/27/73/1175642773.db2.gz CUNPWVLIJODUIU-UHFFFAOYSA-N -1 1 256.722 1.941 20 0 CDADMM C[C@@H]1C[C@H]1C(=O)COC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001603864849 1175658817 /nfs/dbraw/zinc/65/88/17/1175658817.db2.gz MGIYPWAPHZSZFS-HTRCEHHLSA-N -1 1 292.320 1.310 20 0 CDADMM C[C@@H]1C[C@H]1C(=O)COC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603864849 1175658820 /nfs/dbraw/zinc/65/88/20/1175658820.db2.gz MGIYPWAPHZSZFS-HTRCEHHLSA-N -1 1 292.320 1.310 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001603872334 1175663941 /nfs/dbraw/zinc/66/39/41/1175663941.db2.gz FDGJCXFFKIATKT-BDAKNGLRSA-N -1 1 291.380 1.981 20 0 CDADMM C[C@@H]1CCC[C@H](Nc2cc(-c3nnn[n-]3)ncn2)[C@H]1C ZINC001603887841 1175671258 /nfs/dbraw/zinc/67/12/58/1175671258.db2.gz SEHZPYZLPDZVNF-UTLUCORTSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CCC[C@H](Nc2cc(-c3nn[n-]n3)ncn2)[C@H]1C ZINC001603887841 1175671270 /nfs/dbraw/zinc/67/12/70/1175671270.db2.gz SEHZPYZLPDZVNF-UTLUCORTSA-N -1 1 273.344 1.893 20 0 CDADMM CC(C)NC(=O)CN[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001603900296 1175676920 /nfs/dbraw/zinc/67/69/20/1175676920.db2.gz SCTZBUFSOGXVJY-LBPRGKRZSA-N -1 1 298.770 1.450 20 0 CDADMM C[C@@H]1CCN(c2cccnc2-c2nnn[n-]2)CCS1 ZINC001603909084 1175680568 /nfs/dbraw/zinc/68/05/68/1175680568.db2.gz HMWNERPZERFJLP-SECBINFHSA-N -1 1 276.369 1.594 20 0 CDADMM C[C@@H]1CCN(c2cccnc2-c2nn[n-]n2)CCS1 ZINC001603909084 1175680574 /nfs/dbraw/zinc/68/05/74/1175680574.db2.gz HMWNERPZERFJLP-SECBINFHSA-N -1 1 276.369 1.594 20 0 CDADMM C[C@@H]1Cc2cc(Nc3ccnc(-c4nnn[n-]4)c3)ccc2O1 ZINC001603952491 1175696313 /nfs/dbraw/zinc/69/63/13/1175696313.db2.gz JHPDPWYOUJEUBG-SECBINFHSA-N -1 1 294.318 1.751 20 0 CDADMM C[C@@H]1Cc2cc(Nc3ccnc(-c4nn[n-]n4)c3)ccc2O1 ZINC001603952491 1175696320 /nfs/dbraw/zinc/69/63/20/1175696320.db2.gz JHPDPWYOUJEUBG-SECBINFHSA-N -1 1 294.318 1.751 20 0 CDADMM CC[C@H](C)[C@@H](C)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603997437 1175712304 /nfs/dbraw/zinc/71/23/04/1175712304.db2.gz NLKVTYKNCLSXPW-JGVFFNPUSA-N -1 1 263.301 1.624 20 0 CDADMM CC[C@H](C)[C@@H](C)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001603997437 1175712309 /nfs/dbraw/zinc/71/23/09/1175712309.db2.gz NLKVTYKNCLSXPW-JGVFFNPUSA-N -1 1 263.301 1.624 20 0 CDADMM CC(C)c1ncc(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)[nH]1 ZINC001604012514 1175720241 /nfs/dbraw/zinc/72/02/41/1175720241.db2.gz UQPLOIKUWKHKSY-CQSZACIVSA-N -1 1 279.340 1.860 20 0 CDADMM CC(C)c1nc(CNC(C)(C)c2cc(C(=O)[O-])on2)n[nH]1 ZINC001604013571 1175720492 /nfs/dbraw/zinc/72/04/92/1175720492.db2.gz FYSXBTNAJMMFHY-UHFFFAOYSA-N -1 1 293.327 1.639 20 0 CDADMM CC[C@H](CCOC)OC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001604030287 1175726005 /nfs/dbraw/zinc/72/60/05/1175726005.db2.gz RIAIRNGGXWIGMZ-SECBINFHSA-N -1 1 296.352 1.900 20 0 CDADMM CC[C@H](CCOC)OC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001604030287 1175726011 /nfs/dbraw/zinc/72/60/11/1175726011.db2.gz RIAIRNGGXWIGMZ-SECBINFHSA-N -1 1 296.352 1.900 20 0 CDADMM C[C@H](/C=C\C(=O)[O-])NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001604058652 1175738657 /nfs/dbraw/zinc/73/86/57/1175738657.db2.gz FJYLJOCHINNNNQ-RMGQIXRRSA-N -1 1 286.291 1.231 20 0 CDADMM CC[C@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001604081556 1175750275 /nfs/dbraw/zinc/75/02/75/1175750275.db2.gz DCXQAWJJIMSXPQ-CYBMUJFWSA-N -1 1 275.312 1.722 20 0 CDADMM CC[C@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001604081556 1175750281 /nfs/dbraw/zinc/75/02/81/1175750281.db2.gz 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255.297 1.044 20 0 CDADMM CCc1[nH]ncc1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737248419 575909937 /nfs/dbraw/zinc/90/99/37/575909937.db2.gz ZKDXAPJCSIIWJX-UHFFFAOYSA-N -1 1 288.307 1.992 20 0 CDADMM Cc1ccccc1OCCNc1nccnc1-c1nnn[n-]1 ZINC000737431685 575963319 /nfs/dbraw/zinc/96/33/19/575963319.db2.gz LADCLUSRDLBOOS-UHFFFAOYSA-N -1 1 297.322 1.456 20 0 CDADMM Cc1ccccc1OCCNc1nccnc1-c1nn[n-]n1 ZINC000737431685 575963323 /nfs/dbraw/zinc/96/33/23/575963323.db2.gz LADCLUSRDLBOOS-UHFFFAOYSA-N -1 1 297.322 1.456 20 0 CDADMM CN(Cc1cccc(C(=O)[O-])c1)[C@H]1CCCCNC1=O ZINC000737488016 575974506 /nfs/dbraw/zinc/97/45/06/575974506.db2.gz WVQZOZSJRKASAE-ZDUSSCGKSA-N -1 1 276.336 1.485 20 0 CDADMM CN1CCC[C@@H]1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000737524887 575986184 /nfs/dbraw/zinc/98/61/84/575986184.db2.gz YYKNUHZDSHFAPZ-DGCLKSJQSA-N -1 1 274.320 1.296 20 0 CDADMM Clc1ccc(CNc2nccnc2-c2nnn[n-]2)cc1 ZINC000737578159 575995468 /nfs/dbraw/zinc/99/54/68/575995468.db2.gz YSBXCIRBSBCWLW-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM Clc1ccc(CNc2nccnc2-c2nn[n-]n2)cc1 ZINC000737578159 575995469 /nfs/dbraw/zinc/99/54/69/575995469.db2.gz YSBXCIRBSBCWLW-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM C[C@@H](CC(=O)OCc1nc(=O)n(C)[n-]1)C1CCCCC1 ZINC000765459237 576025610 /nfs/dbraw/zinc/02/56/10/576025610.db2.gz DFWZOZHHVRDBSB-JTQLQIEISA-N -1 1 281.356 1.758 20 0 CDADMM COc1ccc([C@@H](NC(=O)[C@@H]2CCCN2C)C(=O)[O-])cc1 ZINC000737960534 576026332 /nfs/dbraw/zinc/02/63/32/576026332.db2.gz ZQTGVIHOQKRSIC-QWHCGFSZSA-N -1 1 292.335 1.031 20 0 CDADMM Cn1[n-]c(COC(=O)C2CCCCCCC2)nc1=O ZINC000765481283 576028149 /nfs/dbraw/zinc/02/81/49/576028149.db2.gz NAHSJRVSVTZPPD-UHFFFAOYSA-N -1 1 267.329 1.512 20 0 CDADMM Cn1[n-]c(COC(=O)[C@@H]2CSc3ccccc32)nc1=O ZINC000765482542 576028717 /nfs/dbraw/zinc/02/87/17/576028717.db2.gz YRXNXMLAVKZLEN-SECBINFHSA-N -1 1 291.332 1.041 20 0 CDADMM Cn1[n-]c(COC(=O)C(C)(C)C2CCCCC2)nc1=O ZINC000765497356 576031316 /nfs/dbraw/zinc/03/13/16/576031316.db2.gz PTBJMLCSFBNTMI-UHFFFAOYSA-N 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1.035 20 0 CDADMM CCc1ccc(CCn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000095177766 599010907 /nfs/dbraw/zinc/01/09/07/599010907.db2.gz HFJUPZWUHYARRA-UHFFFAOYSA-N -1 1 269.312 1.263 20 0 CDADMM O[C@@H]1CCC[C@H]1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823696482 599078136 /nfs/dbraw/zinc/07/81/36/599078136.db2.gz FHYLQMZMGDWOGG-IONNQARKSA-N -1 1 294.746 1.488 20 0 CDADMM O[C@@H]1CCC[C@H]1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823696482 599078137 /nfs/dbraw/zinc/07/81/37/599078137.db2.gz FHYLQMZMGDWOGG-IONNQARKSA-N -1 1 294.746 1.488 20 0 CDADMM c1cnc(N2CCC3(CCCC3)C2)c(-c2nnn[n-]2)n1 ZINC000823808924 599094984 /nfs/dbraw/zinc/09/49/84/599094984.db2.gz FQLWXUDADFZYFW-UHFFFAOYSA-N -1 1 271.328 1.427 20 0 CDADMM c1cnc(N2CCC3(CCCC3)C2)c(-c2nn[n-]n2)n1 ZINC000823808924 599094988 /nfs/dbraw/zinc/09/49/88/599094988.db2.gz FQLWXUDADFZYFW-UHFFFAOYSA-N -1 1 271.328 1.427 20 0 CDADMM CCC[C@@H](CCO)CNc1cccc(-c2nnn[n-]2)n1 ZINC000821020333 599104623 /nfs/dbraw/zinc/10/46/23/599104623.db2.gz AUPKIFQHVZFZPM-JTQLQIEISA-N -1 1 276.344 1.472 20 0 CDADMM CCC[C@@H](CCO)CNc1cccc(-c2nn[n-]n2)n1 ZINC000821020333 599104625 /nfs/dbraw/zinc/10/46/25/599104625.db2.gz AUPKIFQHVZFZPM-JTQLQIEISA-N -1 1 276.344 1.472 20 0 CDADMM O=C([O-])N1CCC[C@@H](NCc2ccc(CO)o2)C1 ZINC000831984814 603165234 /nfs/dbraw/zinc/16/52/34/603165234.db2.gz CPJYKVCCXCLYMK-SECBINFHSA-N -1 1 254.286 1.004 20 0 CDADMM Cn1cnnc1[C@H]1CCCN1CCCCC(=O)[O-] ZINC000386879346 597805641 /nfs/dbraw/zinc/80/56/41/597805641.db2.gz WOHRCDKCVWSXQM-SNVBAGLBSA-N -1 1 252.318 1.207 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NCCOC1CCCC1 ZINC000826515483 608402443 /nfs/dbraw/zinc/40/24/43/608402443.db2.gz ZZNQQQYTQOBLGY-UHFFFAOYSA-N -1 1 275.316 1.028 20 0 CDADMM CSC(C)(C)CNc1cccc(-c2nnn[n-]2)n1 ZINC000821950576 599357892 /nfs/dbraw/zinc/35/78/92/599357892.db2.gz PBKHOROCNJPHJX-UHFFFAOYSA-N -1 1 264.358 1.815 20 0 CDADMM CSC(C)(C)CNc1cccc(-c2nn[n-]n2)n1 ZINC000821950576 599357895 /nfs/dbraw/zinc/35/78/95/599357895.db2.gz PBKHOROCNJPHJX-UHFFFAOYSA-N -1 1 264.358 1.815 20 0 CDADMM Cn1cc(CCCNc2cccc(-c3nnn[n-]3)n2)cn1 ZINC000737603153 599424870 /nfs/dbraw/zinc/42/48/70/599424870.db2.gz VQOCZLPCVAJZTN-UHFFFAOYSA-N -1 1 284.327 1.040 20 0 CDADMM Cn1cc(CCCNc2cccc(-c3nn[n-]n3)n2)cn1 ZINC000737603153 599424871 /nfs/dbraw/zinc/42/48/71/599424871.db2.gz VQOCZLPCVAJZTN-UHFFFAOYSA-N -1 1 284.327 1.040 20 0 CDADMM C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820684126 599546961 /nfs/dbraw/zinc/54/69/61/599546961.db2.gz MJVLMSYHEZIEEC-NXEZZACHSA-N -1 1 286.339 1.522 20 0 CDADMM C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820684126 599546962 /nfs/dbraw/zinc/54/69/62/599546962.db2.gz MJVLMSYHEZIEEC-NXEZZACHSA-N -1 1 286.339 1.522 20 0 CDADMM O[C@H]1CCC[C@H](CNc2cccc(-c3nnn[n-]3)n2)C1 ZINC000823696488 599574837 /nfs/dbraw/zinc/57/48/37/599574837.db2.gz FIPGMFCLBRGKTP-UWVGGRQHSA-N -1 1 274.328 1.225 20 0 CDADMM O[C@H]1CCC[C@H](CNc2cccc(-c3nn[n-]n3)n2)C1 ZINC000823696488 599574840 /nfs/dbraw/zinc/57/48/40/599574840.db2.gz FIPGMFCLBRGKTP-UWVGGRQHSA-N -1 1 274.328 1.225 20 0 CDADMM CC(C)CSCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000824275495 608436596 /nfs/dbraw/zinc/43/65/96/608436596.db2.gz UTIIPUILVAUOMA-UHFFFAOYSA-N -1 1 279.373 1.458 20 0 CDADMM CC(C)CSCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000824275495 608436597 /nfs/dbraw/zinc/43/65/97/608436597.db2.gz UTIIPUILVAUOMA-UHFFFAOYSA-N -1 1 279.373 1.458 20 0 CDADMM O=C(OC[C@H]1CCCS1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823396814 599685093 /nfs/dbraw/zinc/68/50/93/599685093.db2.gz NREZPSMAGIJFDO-SECBINFHSA-N -1 1 291.336 1.314 20 0 CDADMM O=C(OC[C@H]1CCCS1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823396814 599685094 /nfs/dbraw/zinc/68/50/94/599685094.db2.gz NREZPSMAGIJFDO-SECBINFHSA-N -1 1 291.336 1.314 20 0 CDADMM CC[C@](C)(NCC(=O)N[C@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000094228941 600559883 /nfs/dbraw/zinc/55/98/83/600559883.db2.gz NWTNIXYHFIOLBA-MJVIPROJSA-N -1 1 270.373 1.524 20 0 CDADMM Cc1ccccc1NC(=O)CN[C@](C)(C(=O)[O-])C1CC1 ZINC000832978531 601032282 /nfs/dbraw/zinc/03/22/82/601032282.db2.gz JLUZVESEVJHHCI-HNNXBMFYSA-N -1 1 276.336 1.776 20 0 CDADMM C[C@@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1)N(C)C ZINC000832803130 601136502 /nfs/dbraw/zinc/13/65/02/601136502.db2.gz IHTKSBBWVHWKOS-ZETCQYMHSA-N -1 1 254.261 1.413 20 0 CDADMM C/C(=C\CN1CCC[C@H](NC(=O)C(C)C)C1)C(=O)[O-] ZINC000825740898 601161098 /nfs/dbraw/zinc/16/10/98/601161098.db2.gz DLWQMWUOCYRBBL-BCMYLCSRSA-N -1 1 268.357 1.254 20 0 CDADMM C[C@H]1COCCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820813420 607503681 /nfs/dbraw/zinc/50/36/81/607503681.db2.gz GPBKQHJSRBDNAB-QMMMGPOBSA-N -1 1 293.352 1.179 20 0 CDADMM C[C@H]1COCCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820813420 607503683 /nfs/dbraw/zinc/50/36/83/607503683.db2.gz GPBKQHJSRBDNAB-QMMMGPOBSA-N -1 1 293.352 1.179 20 0 CDADMM CCc1[nH]ncc1C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000830202214 601320712 /nfs/dbraw/zinc/32/07/12/601320712.db2.gz JCYMQYXRLXSOMM-UHFFFAOYSA-N -1 1 262.269 1.261 20 0 CDADMM CC[C@@H](C)NC(=S)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000828759449 601337839 /nfs/dbraw/zinc/33/78/39/601337839.db2.gz UPUIPJGHBQEGPJ-GHMZBOCLSA-N -1 1 287.429 1.140 20 0 CDADMM CC[C@H](C)NC(=S)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000828759452 601337912 /nfs/dbraw/zinc/33/79/12/601337912.db2.gz UPUIPJGHBQEGPJ-QWRGUYRKSA-N -1 1 287.429 1.140 20 0 CDADMM Cc1cc(C)cc([C@@H](O)CN2CC[C@](F)(C(=O)[O-])C2)c1 ZINC000832875840 601444209 /nfs/dbraw/zinc/44/42/09/601444209.db2.gz YFOYYBRDLPWSKB-DZGCQCFKSA-N -1 1 281.327 1.835 20 0 CDADMM Cc1cccc(NC(=O)CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c1C ZINC000111253929 601510123 /nfs/dbraw/zinc/51/01/23/601510123.db2.gz QZSGZOYPZVBKAR-DGCLKSJQSA-N -1 1 290.363 1.894 20 0 CDADMM C[C@@H]1CN(Cc2cncc(Br)c2)C[C@@H]1C(=O)[O-] ZINC000167351791 601523497 /nfs/dbraw/zinc/52/34/97/601523497.db2.gz JNIQEYYFFNWYRT-KCJUWKMLSA-N -1 1 299.168 1.997 20 0 CDADMM C[C@H](C(=O)OC(C)(C)C)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828422754 601536698 /nfs/dbraw/zinc/53/66/98/601536698.db2.gz JEVKSVMQJVWTFZ-OPRDCNLKSA-N -1 1 257.330 1.369 20 0 CDADMM Cc1cc(CC(=O)Nc2ccccc2CC(=O)[O-])n[nH]1 ZINC000237598748 601688149 /nfs/dbraw/zinc/68/81/49/601688149.db2.gz SCAZZUOFJJUCJV-UHFFFAOYSA-N -1 1 273.292 1.526 20 0 CDADMM CC[C@H](NC(=O)c1ccc(Nc2ccncc2)cc1)C(=O)[O-] ZINC000828971651 601749912 /nfs/dbraw/zinc/74/99/12/601749912.db2.gz WYQHLACLOQQOCC-AWEZNQCLSA-N -1 1 299.330 1.840 20 0 CDADMM COC(=O)c1ccoc1CN1CC[C@](C)(C(=O)[O-])C1 ZINC000831461887 601924479 /nfs/dbraw/zinc/92/44/79/601924479.db2.gz HTQOHEIARPWUKN-ZDUSSCGKSA-N -1 1 267.281 1.363 20 0 CDADMM C[C@@H](c1nc(C2CC2)no1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000827957831 601933195 /nfs/dbraw/zinc/93/31/95/601933195.db2.gz QNJHXLGIFDZDIE-ISVAXAHUSA-N -1 1 265.313 1.805 20 0 CDADMM O=C([O-])c1ccc(CN2CCC[C@@H]2C(=O)NC2CC2)s1 ZINC000833312877 601941671 /nfs/dbraw/zinc/94/16/71/601941671.db2.gz IYJUNJQCWJCGHA-LLVKDONJSA-N -1 1 294.376 1.689 20 0 CDADMM CN1CCC[C@@H]1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000820620673 602024337 /nfs/dbraw/zinc/02/43/37/602024337.db2.gz QPRWPBIJKNBFEA-GFCCVEGCSA-N -1 1 262.309 1.095 20 0 CDADMM COCCCCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000826156004 607545164 /nfs/dbraw/zinc/54/51/64/607545164.db2.gz LUICHQQGTGWRDR-UHFFFAOYSA-N -1 1 299.334 1.608 20 0 CDADMM C[C@H](CC(=O)[O-])C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000827316903 602141851 /nfs/dbraw/zinc/14/18/51/602141851.db2.gz FYSIYDROVWHKFH-SECBINFHSA-N -1 1 274.280 1.317 20 0 CDADMM CC(C)[C@H](C(=O)Nc1cc(C(=O)[O-])n(C)c1)N(C)C ZINC000826677160 602191893 /nfs/dbraw/zinc/19/18/93/602191893.db2.gz QFHIDHSVHWZLEO-LLVKDONJSA-N -1 1 267.329 1.248 20 0 CDADMM CN(C)Cc1ccsc1C(=O)N1CCN(C(=O)[O-])CC1 ZINC000828046849 603524129 /nfs/dbraw/zinc/52/41/29/603524129.db2.gz SZBTZVHFGOMWHI-UHFFFAOYSA-N -1 1 297.380 1.246 20 0 CDADMM CC(C)C(=O)NCCN(C)Cc1ccc(F)cc1C(=O)[O-] ZINC000833467310 604498818 /nfs/dbraw/zinc/49/88/18/604498818.db2.gz NVVYWXMOEWDDKH-UHFFFAOYSA-N -1 1 296.342 1.728 20 0 CDADMM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000866846218 617185879 /nfs/dbraw/zinc/18/58/79/617185879.db2.gz ZZOZTKAOHNHWPD-LLVKDONJSA-N -1 1 294.323 1.189 20 0 CDADMM CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000866846326 617185906 /nfs/dbraw/zinc/18/59/06/617185906.db2.gz BZGKGDKDKVFYIC-HTQZYQBOSA-N -1 1 294.323 1.045 20 0 CDADMM C[C@@]1(C(=O)[O-])CCN(Cc2coc(C3CC3)n2)C1 ZINC000833554620 604674524 /nfs/dbraw/zinc/67/45/24/604674524.db2.gz CQMGXTZADGPOJW-CYBMUJFWSA-N -1 1 250.298 1.849 20 0 CDADMM O=C([O-])c1ccoc1CN1CCS[C@H]2COCC[C@@H]21 ZINC000833335754 604680997 /nfs/dbraw/zinc/68/09/97/604680997.db2.gz BSPZPSCERHECKF-JQWIXIFHSA-N -1 1 283.349 1.684 20 0 CDADMM Cc1noc(C)c1CN(C)C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC000833579234 604825935 /nfs/dbraw/zinc/82/59/35/604825935.db2.gz ZDQRJSHHJDCCGD-NSHDSACASA-N -1 1 280.324 1.871 20 0 CDADMM CCCC[C@@H](NCC(=O)Nc1cccc(F)c1)C(=O)[O-] ZINC000829296105 604834322 /nfs/dbraw/zinc/83/43/22/604834322.db2.gz NAUNOUZUYAUKBD-GFCCVEGCSA-N -1 1 282.315 1.997 20 0 CDADMM CC1=C(C(=O)[O-])C[C@@H](CSc2nnc(C3CC3)[nH]2)O1 ZINC000833579891 604887162 /nfs/dbraw/zinc/88/71/62/604887162.db2.gz DIDCLJRIROTVBN-QMMMGPOBSA-N -1 1 281.337 1.922 20 0 CDADMM CC1=C(C(=O)[O-])C[C@@H](CSc2n[nH]c(C3CC3)n2)O1 ZINC000833579891 604887163 /nfs/dbraw/zinc/88/71/63/604887163.db2.gz DIDCLJRIROTVBN-QMMMGPOBSA-N -1 1 281.337 1.922 20 0 CDADMM O=C([O-])C[C@H]1CCCN1CN1C(=O)C[C@H]1c1ccccc1 ZINC000833209946 604977091 /nfs/dbraw/zinc/97/70/91/604977091.db2.gz ABEFXYHFFSMMEU-KGLIPLIRSA-N -1 1 288.347 1.857 20 0 CDADMM O=C([O-])[C@@H](O)C1CCN(C[C@@H](O)c2ccccc2F)CC1 ZINC000833770975 604980957 /nfs/dbraw/zinc/98/09/57/604980957.db2.gz SBABMHFWFVMPBV-KGLIPLIRSA-N -1 1 297.326 1.017 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CCC(C)(C)C1 ZINC000833621180 605093033 /nfs/dbraw/zinc/09/30/33/605093033.db2.gz MNSXOXBUQOGDLE-QWHCGFSZSA-N -1 1 296.411 1.820 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C=C1CCC1 ZINC000833619505 605101737 /nfs/dbraw/zinc/10/17/37/605101737.db2.gz IMXSGQHGXSEQFQ-LLVKDONJSA-N -1 1 266.341 1.104 20 0 CDADMM CC[C@H]1CC[C@H](C)N1c1ccc(-c2nn[n-]n2)nn1 ZINC000825195293 608237481 /nfs/dbraw/zinc/23/74/81/608237481.db2.gz VUPZGXCZJWJIPQ-IUCAKERBSA-N -1 1 259.317 1.424 20 0 CDADMM C[C@@H](NC(=O)NCCCCCCC(=O)[O-])c1nnc[nH]1 ZINC000230434452 605501057 /nfs/dbraw/zinc/50/10/57/605501057.db2.gz RNQUZANHENNGSM-SECBINFHSA-N -1 1 283.332 1.200 20 0 CDADMM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000833481170 605746698 /nfs/dbraw/zinc/74/66/98/605746698.db2.gz UMCYCYGHUOBZPI-WOPDTQHZSA-N -1 1 285.388 1.220 20 0 CDADMM CC(C)c1nc([C@H](C)NC(=O)c2cc(C(=O)[O-])no2)n[nH]1 ZINC000833512341 605877933 /nfs/dbraw/zinc/87/79/33/605877933.db2.gz MKVPOLCWFOXIBY-LURJTMIESA-N -1 1 293.283 1.105 20 0 CDADMM O=C([O-])c1cc(CN2CCC[C@H](OC(F)F)C2)c[nH]1 ZINC000833778535 605935686 /nfs/dbraw/zinc/93/56/86/605935686.db2.gz AOLMOZGBGXOOTG-VIFPVBQESA-N -1 1 274.267 1.917 20 0 CDADMM Cn1cc(NCc2ccc(-c3nn[n-]n3)s2)cn1 ZINC000822685335 606416932 /nfs/dbraw/zinc/41/69/32/606416932.db2.gz XPCHYHMSWHJLCD-UHFFFAOYSA-N -1 1 261.314 1.274 20 0 CDADMM CC[C@@H](O)CCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820933007 606468646 /nfs/dbraw/zinc/46/86/46/606468646.db2.gz SGYRYKKBGFXCTR-MRVPVSSYSA-N -1 1 296.762 1.878 20 0 CDADMM CC[C@@H](O)CCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820933007 606468648 /nfs/dbraw/zinc/46/86/48/606468648.db2.gz SGYRYKKBGFXCTR-MRVPVSSYSA-N -1 1 296.762 1.878 20 0 CDADMM CCN(CCOC)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821216017 606506942 /nfs/dbraw/zinc/50/69/42/606506942.db2.gz ZCXOPTYLQALXAQ-UHFFFAOYSA-N -1 1 281.341 1.037 20 0 CDADMM CCN(CCOC)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821216017 606506944 /nfs/dbraw/zinc/50/69/44/606506944.db2.gz ZCXOPTYLQALXAQ-UHFFFAOYSA-N -1 1 281.341 1.037 20 0 CDADMM CC[C@H](COC)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820909568 606569198 /nfs/dbraw/zinc/56/91/98/606569198.db2.gz WYPZCQJJQCJVQX-SSDOTTSWSA-N -1 1 281.341 1.083 20 0 CDADMM CC[C@H](COC)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820909568 606569199 /nfs/dbraw/zinc/56/91/99/606569199.db2.gz WYPZCQJJQCJVQX-SSDOTTSWSA-N -1 1 281.341 1.083 20 0 CDADMM O=C(N[C@@H]1CCSC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823154462 606576453 /nfs/dbraw/zinc/57/64/53/606576453.db2.gz BVCVJYJYIHWFIN-ZCFIWIBFSA-N -1 1 281.366 1.164 20 0 CDADMM O=C(N[C@@H]1CCSC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823154462 606576455 /nfs/dbraw/zinc/57/64/55/606576455.db2.gz BVCVJYJYIHWFIN-ZCFIWIBFSA-N -1 1 281.366 1.164 20 0 CDADMM C=C/C(C)=C\CC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001602797857 1175403381 /nfs/dbraw/zinc/40/33/81/1175403381.db2.gz JHTLFPMSQNYGHD-YWEYNIOJSA-N -1 1 290.352 1.462 20 0 CDADMM C=C/C(C)=C\CC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001602797857 1175403387 /nfs/dbraw/zinc/40/33/87/1175403387.db2.gz JHTLFPMSQNYGHD-YWEYNIOJSA-N -1 1 290.352 1.462 20 0 CDADMM CS[C@H](C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821950695 606650279 /nfs/dbraw/zinc/65/02/79/606650279.db2.gz PRVWUTIMZCFPIG-SSDOTTSWSA-N -1 1 279.325 1.056 20 0 CDADMM CS[C@H](C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821950695 606650278 /nfs/dbraw/zinc/65/02/78/606650278.db2.gz PRVWUTIMZCFPIG-SSDOTTSWSA-N -1 1 279.325 1.056 20 0 CDADMM COCCC1(CNc2cccc(-c3nnn[n-]3)n2)CCC1 ZINC000821686829 606721160 /nfs/dbraw/zinc/72/11/60/606721160.db2.gz BCDWAIICVFKDEH-UHFFFAOYSA-N -1 1 288.355 1.880 20 0 CDADMM COCCC1(CNc2cccc(-c3nn[n-]n3)n2)CCC1 ZINC000821686829 606721161 /nfs/dbraw/zinc/72/11/61/606721161.db2.gz BCDWAIICVFKDEH-UHFFFAOYSA-N -1 1 288.355 1.880 20 0 CDADMM O=C(NC1(C2CC2)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823139626 606749565 /nfs/dbraw/zinc/74/95/65/606749565.db2.gz ISVAOOBSSRMFJG-UHFFFAOYSA-N -1 1 275.337 1.601 20 0 CDADMM O=C(NC1(C2CC2)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823139626 606749566 /nfs/dbraw/zinc/74/95/66/606749566.db2.gz ISVAOOBSSRMFJG-UHFFFAOYSA-N -1 1 275.337 1.601 20 0 CDADMM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820683552 606878823 /nfs/dbraw/zinc/87/88/23/606878823.db2.gz DAJQSUNZJLQSCE-HTQZYQBOSA-N -1 1 277.353 1.941 20 0 CDADMM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820683552 606878825 /nfs/dbraw/zinc/87/88/25/606878825.db2.gz DAJQSUNZJLQSCE-HTQZYQBOSA-N -1 1 277.353 1.941 20 0 CDADMM CC[C@]1(C)CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000820958433 606949251 /nfs/dbraw/zinc/94/92/51/606949251.db2.gz VEKKOKOSZNBGMI-CYBMUJFWSA-N -1 1 258.329 1.888 20 0 CDADMM CC[C@]1(C)CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000820958433 606949252 /nfs/dbraw/zinc/94/92/52/606949252.db2.gz VEKKOKOSZNBGMI-CYBMUJFWSA-N -1 1 258.329 1.888 20 0 CDADMM C[C@@H]1OCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)[C@H]1C ZINC000820821416 607066607 /nfs/dbraw/zinc/06/66/07/607066607.db2.gz SSZHFEAEYNVRGH-YUMQZZPRSA-N -1 1 293.352 1.178 20 0 CDADMM C[C@@H]1OCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)[C@H]1C ZINC000820821416 607066608 /nfs/dbraw/zinc/06/66/08/607066608.db2.gz SSZHFEAEYNVRGH-YUMQZZPRSA-N -1 1 293.352 1.178 20 0 CDADMM CC(C)[C@@H](O)C(C)(C)CNc1cccc(-c2nnn[n-]2)n1 ZINC000824198378 607819821 /nfs/dbraw/zinc/81/98/21/607819821.db2.gz BTIDXELJYAROON-GFCCVEGCSA-N -1 1 290.371 1.717 20 0 CDADMM CC(C)[C@@H](O)C(C)(C)CNc1cccc(-c2nn[n-]n2)n1 ZINC000824198378 607819822 /nfs/dbraw/zinc/81/98/22/607819822.db2.gz BTIDXELJYAROON-GFCCVEGCSA-N -1 1 290.371 1.717 20 0 CDADMM NC(=O)Cc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826391208 607896830 /nfs/dbraw/zinc/89/68/30/607896830.db2.gz ARKXBAKOXYBOJN-UHFFFAOYSA-N -1 1 295.306 1.033 20 0 CDADMM NC(=O)Cc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826391208 607896831 /nfs/dbraw/zinc/89/68/31/607896831.db2.gz ARKXBAKOXYBOJN-UHFFFAOYSA-N -1 1 295.306 1.033 20 0 CDADMM c1ccc(CCCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826521247 607987947 /nfs/dbraw/zinc/98/79/47/607987947.db2.gz GBYRTFHFYOQQJH-UHFFFAOYSA-N -1 1 281.323 1.701 20 0 CDADMM c1ccc(CCCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826521247 607987948 /nfs/dbraw/zinc/98/79/48/607987948.db2.gz GBYRTFHFYOQQJH-UHFFFAOYSA-N -1 1 281.323 1.701 20 0 CDADMM c1cc(N2CCCCCCC2)nnc1-c1nnn[n-]1 ZINC000826517043 607988056 /nfs/dbraw/zinc/98/80/56/607988056.db2.gz NFPUCUSYTAFMGA-UHFFFAOYSA-N -1 1 259.317 1.427 20 0 CDADMM c1cc(N2CCCCCCC2)nnc1-c1nn[n-]n1 ZINC000826517043 607988057 /nfs/dbraw/zinc/98/80/57/607988057.db2.gz NFPUCUSYTAFMGA-UHFFFAOYSA-N -1 1 259.317 1.427 20 0 CDADMM Cc1cccc(NC(=O)Cn2ccnc2-c2nnn[n-]2)c1C ZINC000826299845 608013825 /nfs/dbraw/zinc/01/38/25/608013825.db2.gz XZFDUHXLWBRTMZ-UHFFFAOYSA-N -1 1 297.322 1.319 20 0 CDADMM Cc1cccc(NC(=O)Cn2ccnc2-c2nn[n-]n2)c1C ZINC000826299845 608013826 /nfs/dbraw/zinc/01/38/26/608013826.db2.gz XZFDUHXLWBRTMZ-UHFFFAOYSA-N -1 1 297.322 1.319 20 0 CDADMM CCOC(=O)C[C@H](C)CNc1cccc(-c2nnn[n-]2)n1 ZINC000825499126 608018187 /nfs/dbraw/zinc/01/81/87/608018187.db2.gz HBOUBYUTPYEHIO-VIFPVBQESA-N -1 1 290.327 1.263 20 0 CDADMM CCOC(=O)C[C@H](C)CNc1cccc(-c2nn[n-]n2)n1 ZINC000825499126 608018188 /nfs/dbraw/zinc/01/81/88/608018188.db2.gz HBOUBYUTPYEHIO-VIFPVBQESA-N -1 1 290.327 1.263 20 0 CDADMM CCC(CC)[C@@H](C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000825096658 608078145 /nfs/dbraw/zinc/07/81/45/608078145.db2.gz PGVVGJNANSMXOU-SSDOTTSWSA-N -1 1 277.332 1.358 20 0 CDADMM C[C@@H](O)[C@H](C)Sc1snc(Cl)c1-c1nnn[n-]1 ZINC000824678519 608186882 /nfs/dbraw/zinc/18/68/82/608186882.db2.gz NHARQWLJNIEPHZ-DMTCNVIQSA-N -1 1 291.789 1.838 20 0 CDADMM C[C@@H](O)[C@H](C)Sc1snc(Cl)c1-c1nn[n-]n1 ZINC000824678519 608186883 /nfs/dbraw/zinc/18/68/83/608186883.db2.gz NHARQWLJNIEPHZ-DMTCNVIQSA-N -1 1 291.789 1.838 20 0 CDADMM CC[C@@](C)(CO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000825045342 608188539 /nfs/dbraw/zinc/18/85/39/608188539.db2.gz ZEQFDEJAZWZNQK-VIFPVBQESA-N -1 1 288.764 1.550 20 0 CDADMM CC[C@@](C)(CO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000825045342 608188541 /nfs/dbraw/zinc/18/85/41/608188541.db2.gz ZEQFDEJAZWZNQK-VIFPVBQESA-N -1 1 288.764 1.550 20 0 CDADMM C[C@@]1(COC(=O)c2sccc2-c2nn[n-]n2)CCOC1 ZINC000824832203 608199361 /nfs/dbraw/zinc/19/93/61/608199361.db2.gz SNJVTUQXISPWBE-GFCCVEGCSA-N -1 1 294.336 1.512 20 0 CDADMM C[C@]1(COC(=O)c2ccc(-c3nnn[n-]3)s2)CCOC1 ZINC000824833223 608199476 /nfs/dbraw/zinc/19/94/76/608199476.db2.gz YLMXPLUXAPXKPC-LBPRGKRZSA-N -1 1 294.336 1.512 20 0 CDADMM C[C@]1(COC(=O)c2ccc(-c3nn[n-]n3)s2)CCOC1 ZINC000824833223 608199478 /nfs/dbraw/zinc/19/94/78/608199478.db2.gz YLMXPLUXAPXKPC-LBPRGKRZSA-N -1 1 294.336 1.512 20 0 CDADMM CC[C@H]1CC[C@H](C)N1c1ccc(-c2nnn[n-]2)nn1 ZINC000825195293 608237480 /nfs/dbraw/zinc/23/74/80/608237480.db2.gz VUPZGXCZJWJIPQ-IUCAKERBSA-N -1 1 259.317 1.424 20 0 CDADMM CCC1(O)CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC000825175972 608238720 /nfs/dbraw/zinc/23/87/20/608238720.db2.gz AJOGEQMQEPNIIA-UHFFFAOYSA-N -1 1 289.343 1.152 20 0 CDADMM CCC1(O)CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC000825175972 608238721 /nfs/dbraw/zinc/23/87/21/608238721.db2.gz AJOGEQMQEPNIIA-UHFFFAOYSA-N -1 1 289.343 1.152 20 0 CDADMM CCOCCN(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825593781 608249448 /nfs/dbraw/zinc/24/94/48/608249448.db2.gz DQUWQFHOJDAAPN-UHFFFAOYSA-N -1 1 281.341 1.037 20 0 CDADMM CCOCCN(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825593781 608249449 /nfs/dbraw/zinc/24/94/49/608249449.db2.gz DQUWQFHOJDAAPN-UHFFFAOYSA-N -1 1 281.341 1.037 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NCCOC1CCCC1 ZINC000826515483 608402441 /nfs/dbraw/zinc/40/24/41/608402441.db2.gz ZZNQQQYTQOBLGY-UHFFFAOYSA-N -1 1 275.316 1.028 20 0 CDADMM c1coc([C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC000826526075 608417736 /nfs/dbraw/zinc/41/77/36/608417736.db2.gz KAPFGVTWLBMCKZ-SECBINFHSA-N -1 1 283.295 1.244 20 0 CDADMM c1coc([C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC000826526075 608417739 /nfs/dbraw/zinc/41/77/39/608417739.db2.gz KAPFGVTWLBMCKZ-SECBINFHSA-N -1 1 283.295 1.244 20 0 CDADMM C[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC000824946813 608423060 /nfs/dbraw/zinc/42/30/60/608423060.db2.gz LCAVVZJBCALBFX-RKDXNWHRSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC000824946813 608423061 /nfs/dbraw/zinc/42/30/61/608423061.db2.gz LCAVVZJBCALBFX-RKDXNWHRSA-N -1 1 259.317 1.282 20 0 CDADMM CCC[C@H](O)CNc1nc(-c2nn[n-]n2)ccc1C ZINC000825247082 608543851 /nfs/dbraw/zinc/54/38/51/608543851.db2.gz AECFFNGHGAPTNP-VIFPVBQESA-N -1 1 262.317 1.143 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N(C)C[C@@H]1CCOC1 ZINC000826279861 608546509 /nfs/dbraw/zinc/54/65/09/608546509.db2.gz FJWCYKRRNACJFM-JTQLQIEISA-N -1 1 274.328 1.043 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(Nc2ccc3c(c2)COC3)n1 ZINC000826525175 608558869 /nfs/dbraw/zinc/55/88/69/608558869.db2.gz ZBOLVSROBIFIKO-UHFFFAOYSA-N -1 1 281.279 1.431 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(Nc2ccc3c(c2)COC3)n1 ZINC000826525175 608558871 /nfs/dbraw/zinc/55/88/71/608558871.db2.gz ZBOLVSROBIFIKO-UHFFFAOYSA-N -1 1 281.279 1.431 20 0 CDADMM CN(Cc1ccc(-c2nnn[n-]2)o1)Cc1nccs1 ZINC000825962012 608719945 /nfs/dbraw/zinc/71/99/45/608719945.db2.gz QFYLCJXGFVOXIN-UHFFFAOYSA-N -1 1 276.325 1.548 20 0 CDADMM CN(Cc1ccc(-c2nn[n-]n2)o1)Cc1nccs1 ZINC000825962012 608719947 /nfs/dbraw/zinc/71/99/47/608719947.db2.gz QFYLCJXGFVOXIN-UHFFFAOYSA-N -1 1 276.325 1.548 20 0 CDADMM Clc1ccc(NCCc2ccc[nH]2)nc1-c1nnn[n-]1 ZINC000826352633 609428710 /nfs/dbraw/zinc/42/87/10/609428710.db2.gz IJFBSGYXQDNAGS-UHFFFAOYSA-N -1 1 289.730 1.898 20 0 CDADMM Clc1ccc(NCCc2ccc[nH]2)nc1-c1nn[n-]n1 ZINC000826352633 609428711 /nfs/dbraw/zinc/42/87/11/609428711.db2.gz IJFBSGYXQDNAGS-UHFFFAOYSA-N -1 1 289.730 1.898 20 0 CDADMM c1nc(-c2nn[n-]n2)nn1C[C@@H]1CCc2ccccc21 ZINC000826523137 609513664 /nfs/dbraw/zinc/51/36/64/609513664.db2.gz BPKSBFDPENITMI-JTQLQIEISA-N -1 1 267.296 1.188 20 0 CDADMM c1cn(C[C@@H]2CCc3ccccc32)c(-c2nnn[n-]2)n1 ZINC000826523311 609517941 /nfs/dbraw/zinc/51/79/41/609517941.db2.gz IKAYWZXQYKKGKG-NSHDSACASA-N -1 1 266.308 1.793 20 0 CDADMM c1cn(C[C@@H]2CCc3ccccc32)c(-c2nn[n-]n2)n1 ZINC000826523311 609517944 /nfs/dbraw/zinc/51/79/44/609517944.db2.gz IKAYWZXQYKKGKG-NSHDSACASA-N -1 1 266.308 1.793 20 0 CDADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CC[C@@H](O)[C@@H](F)C1 ZINC000890683897 617268205 /nfs/dbraw/zinc/26/82/05/617268205.db2.gz YCXBOYSTMXWCTL-CMPLNLGQSA-N -1 1 287.718 1.519 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@]12CCOC2=O ZINC000779252169 617414423 /nfs/dbraw/zinc/41/44/23/617414423.db2.gz HGNCBXBSZGTQSC-AWEZNQCLSA-N -1 1 279.267 1.453 20 0 CDADMM CC[C@H](C)[C@](C)(O)CNc1cc(=O)[n-]c(COC)n1 ZINC000892501394 617437316 /nfs/dbraw/zinc/43/73/16/617437316.db2.gz IEIDUKWSXHDJSZ-TVQRCGJNSA-N -1 1 269.345 1.538 20 0 CDADMM CCc1cc(CNc2cc(=O)[n-]c(COC)n2)[nH]n1 ZINC000892505262 617442696 /nfs/dbraw/zinc/44/26/96/617442696.db2.gz QJHNFVIKGZYCLZ-UHFFFAOYSA-N -1 1 263.301 1.226 20 0 CDADMM COCc1nc(NC2Cc3ccccc3C2)cc(=O)[n-]1 ZINC000893182339 617445682 /nfs/dbraw/zinc/44/56/82/617445682.db2.gz IXHJPQKQNZCUFH-UHFFFAOYSA-N -1 1 271.320 1.908 20 0 CDADMM COCc1nc(N2CCC[C@H](C)CC2)cc(=O)[n-]1 ZINC000892100346 617481770 /nfs/dbraw/zinc/48/17/70/617481770.db2.gz DGWDRPLHLUFUIB-JTQLQIEISA-N -1 1 251.330 1.955 20 0 CDADMM O=C([N-]S(=O)(=O)C1(Cl)CC1)c1cccc2cn[nH]c21 ZINC000893241486 617483993 /nfs/dbraw/zinc/48/39/93/617483993.db2.gz GCYDUPZLPDZAEC-UHFFFAOYSA-N -1 1 299.739 1.351 20 0 CDADMM CCC(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC000945072640 614658098 /nfs/dbraw/zinc/65/80/98/614658098.db2.gz ITPSOTNEJDAWLL-GHMZBOCLSA-N -1 1 291.351 1.164 20 0 CDADMM C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)O1 ZINC000891618566 617506916 /nfs/dbraw/zinc/50/69/16/617506916.db2.gz QKXNZSGZASCHTM-KBVBSXBZSA-N -1 1 291.351 1.813 20 0 CDADMM COCc1nc(NC[C@H](O)c2ccsc2)cc(=O)[n-]1 ZINC000892627844 617546350 /nfs/dbraw/zinc/54/63/50/617546350.db2.gz FMWYNMQHKGLPCD-VIFPVBQESA-N -1 1 281.337 1.536 20 0 CDADMM CN(C(=O)C(C)(C)c1ccc(Cl)cc1F)c1nn[n-]n1 ZINC000892955139 617978863 /nfs/dbraw/zinc/97/88/63/617978863.db2.gz WQYAXKNANNQFIQ-UHFFFAOYSA-N -1 1 297.721 1.933 20 0 CDADMM COCc1nc(N[C@@H]2c3ccccc3C[C@H]2O)cc(=O)[n-]1 ZINC000891830510 617630602 /nfs/dbraw/zinc/63/06/02/617630602.db2.gz YZNFALOBRLABOE-IAQYHMDHSA-N -1 1 287.319 1.399 20 0 CDADMM COCc1nc(NC[C@@H](O)C2CCCCC2)cc(=O)[n-]1 ZINC000892299561 617718828 /nfs/dbraw/zinc/71/88/28/617718828.db2.gz FCHKEHZUZMNXCV-LLVKDONJSA-N -1 1 281.356 1.682 20 0 CDADMM 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288.347 1.570 20 0 CDADMM Cc1ncc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)s1 ZINC000822468014 618545686 /nfs/dbraw/zinc/54/56/86/618545686.db2.gz VHCQNDRMLCNMSM-UHFFFAOYSA-N -1 1 293.337 1.340 20 0 CDADMM Cc1ncc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)s1 ZINC000822468014 618545693 /nfs/dbraw/zinc/54/56/93/618545693.db2.gz VHCQNDRMLCNMSM-UHFFFAOYSA-N -1 1 293.337 1.340 20 0 CDADMM CSC(C)(C)C[N-]S(=O)(=O)c1cc(C)ns1 ZINC000866900727 619325981 /nfs/dbraw/zinc/32/59/81/619325981.db2.gz JYYAPSCXPYLLMR-UHFFFAOYSA-N -1 1 280.440 1.871 20 0 CDADMM O=C([O-])COc1ccc(NC(=O)CN2CCCC2)cc1 ZINC000909494693 619403057 /nfs/dbraw/zinc/40/30/57/619403057.db2.gz WMAHYJGUSNIIIJ-UHFFFAOYSA-N -1 1 278.308 1.184 20 0 CDADMM CC1(C)C([N-]S(=O)(=O)N=S2(=O)CCCC2)C1(C)C ZINC000866916111 620456139 /nfs/dbraw/zinc/45/61/39/620456139.db2.gz PPBLAFMNYMTSRJ-UHFFFAOYSA-N -1 1 294.442 1.517 20 0 CDADMM CN(C)c1ccnc(CNC(=O)CCCCC(=O)[O-])c1 ZINC000902815315 625467949 /nfs/dbraw/zinc/46/79/49/625467949.db2.gz UKBMQPWJYJMBDF-UHFFFAOYSA-N -1 1 279.340 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CN(C)c1ccnc(CNC(=O)NCC(C)(C)C(=O)[O-])c1 ZINC001606062098 1163760515 /nfs/dbraw/zinc/76/05/15/1163760515.db2.gz RJAVDYWCKQYYQI-UHFFFAOYSA-N -1 1 294.355 1.058 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC2(C1)CCCC2 ZINC001606165880 1163794141 /nfs/dbraw/zinc/79/41/41/1163794141.db2.gz LMMSHCLJLCGAEL-UHFFFAOYSA-N -1 1 287.323 1.784 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC2(C1)CCCC2 ZINC001606165880 1163794150 /nfs/dbraw/zinc/79/41/50/1163794150.db2.gz LMMSHCLJLCGAEL-UHFFFAOYSA-N -1 1 287.323 1.784 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCOC1CCC1 ZINC001606168515 1163795960 /nfs/dbraw/zinc/79/59/60/1163795960.db2.gz IRYDPQCZIDLKIO-UHFFFAOYSA-N -1 1 291.311 1.067 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCOC1CCC1 ZINC001606168515 1163795968 /nfs/dbraw/zinc/79/59/68/1163795968.db2.gz IRYDPQCZIDLKIO-UHFFFAOYSA-N -1 1 291.311 1.067 20 0 CDADMM CN(Cc1ccco1)C(=O)CN[C@](C)(CCF)C(=O)[O-] ZINC001606171107 1163796619 /nfs/dbraw/zinc/79/66/19/1163796619.db2.gz WFEXNLTVIBLNKW-CYBMUJFWSA-N -1 1 286.303 1.031 20 0 CDADMM Clc1ccc(N2Cc3ccncc3C2)nc1-c1nnn[n-]1 ZINC001606191602 1163803327 /nfs/dbraw/zinc/80/33/27/1163803327.db2.gz PLSZBXNAZZICDD-UHFFFAOYSA-N -1 1 299.725 1.830 20 0 CDADMM Clc1ccc(N2Cc3ccncc3C2)nc1-c1nn[n-]n1 ZINC001606191602 1163803331 /nfs/dbraw/zinc/80/33/31/1163803331.db2.gz PLSZBXNAZZICDD-UHFFFAOYSA-N -1 1 299.725 1.830 20 0 CDADMM Clc1cc(CNc2cc(-c3nnn[n-]3)ncn2)ccn1 ZINC001606188463 1163803624 /nfs/dbraw/zinc/80/36/24/1163803624.db2.gz QFJPPTFDPBDTMI-UHFFFAOYSA-N -1 1 288.702 1.317 20 0 CDADMM Clc1cc(CNc2cc(-c3nn[n-]n3)ncn2)ccn1 ZINC001606188463 1163803629 /nfs/dbraw/zinc/80/36/29/1163803629.db2.gz QFJPPTFDPBDTMI-UHFFFAOYSA-N -1 1 288.702 1.317 20 0 CDADMM Clc1sc(SC2COC2)nc1-c1nn[n-]n1 ZINC001606201986 1163804495 /nfs/dbraw/zinc/80/44/95/1163804495.db2.gz BWNWHZBUFOXSSS-UHFFFAOYSA-N -1 1 275.746 1.468 20 0 CDADMM Fc1ccc([C@@H]2C[C@H]2Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001606327099 1163862462 /nfs/dbraw/zinc/86/24/62/1163862462.db2.gz WFBRZLPZSFDIRN-WDEREUQCSA-N -1 1 297.297 1.764 20 0 CDADMM Fc1ccc([C@@H]2C[C@H]2Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001606327099 1163862467 /nfs/dbraw/zinc/86/24/67/1163862467.db2.gz WFBRZLPZSFDIRN-WDEREUQCSA-N -1 1 297.297 1.764 20 0 CDADMM Fc1ccc2c(c1)CCN(c1cccnc1-c1nnn[n-]1)C2 ZINC001606326300 1163862750 /nfs/dbraw/zinc/86/27/50/1163862750.db2.gz BYKJXBKGEXSCIF-UHFFFAOYSA-N -1 1 296.309 1.964 20 0 CDADMM Fc1ccc2c(c1)CCN(c1cccnc1-c1nn[n-]n1)C2 ZINC001606326300 1163862755 /nfs/dbraw/zinc/86/27/55/1163862755.db2.gz BYKJXBKGEXSCIF-UHFFFAOYSA-N -1 1 296.309 1.964 20 0 CDADMM COC(=O)C12CCC(CC1)N2CC1(CC(=O)[O-])CC1 ZINC001606358723 1163879059 /nfs/dbraw/zinc/87/90/59/1163879059.db2.gz DGQIRIJZESHXLR-UHFFFAOYSA-N -1 1 267.325 1.411 20 0 CDADMM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1CC1CC2(CCC2)C1 ZINC001606372858 1163879721 /nfs/dbraw/zinc/87/97/21/1163879721.db2.gz IOCVBYVVGBDWOR-CHWSQXEVSA-N -1 1 295.379 1.905 20 0 CDADMM NC(=O)c1ccc(OCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC001606430226 1163896915 /nfs/dbraw/zinc/89/69/15/1163896915.db2.gz SIMGIXXHMJVIJU-UHFFFAOYSA-N -1 1 285.263 1.138 20 0 CDADMM NC(=O)c1ccc(OCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC001606430226 1163896918 /nfs/dbraw/zinc/89/69/18/1163896918.db2.gz SIMGIXXHMJVIJU-UHFFFAOYSA-N -1 1 285.263 1.138 20 0 CDADMM CO[C@H](C)c1noc(CN[C@@H]2CCC[C@H]2C(=O)[O-])n1 ZINC001606665368 1163953144 /nfs/dbraw/zinc/95/31/44/1163953144.db2.gz MILPFXWQJAIMOF-IWSPIJDZSA-N -1 1 269.301 1.120 20 0 CDADMM O=C(N[C@@H]1CCCC1(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC001606667166 1163954311 /nfs/dbraw/zinc/95/43/11/1163954311.db2.gz IYOZOORKTVTKKA-SECBINFHSA-N -1 1 294.265 1.179 20 0 CDADMM O=C(N[C@@H]1CCCC1(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC001606667166 1163954318 /nfs/dbraw/zinc/95/43/18/1163954318.db2.gz IYOZOORKTVTKKA-SECBINFHSA-N -1 1 294.265 1.179 20 0 CDADMM COC(CN1CCc2cccc(C(=O)[O-])c2C1)OC ZINC001606673121 1163955322 /nfs/dbraw/zinc/95/53/22/1163955322.db2.gz AATYGZRAJZDTAZ-UHFFFAOYSA-N -1 1 265.309 1.362 20 0 CDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)Nc1ccccc1 ZINC001606842160 1164012116 /nfs/dbraw/zinc/01/21/16/1164012116.db2.gz KRIQRSJLFMWTKA-UHFFFAOYSA-N -1 1 295.306 1.583 20 0 CDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)Nc1ccccc1 ZINC001606842160 1164012121 /nfs/dbraw/zinc/01/21/21/1164012121.db2.gz KRIQRSJLFMWTKA-UHFFFAOYSA-N -1 1 295.306 1.583 20 0 CDADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC[C@@H]2C[C@@H]21 ZINC001607032075 1164065202 /nfs/dbraw/zinc/06/52/02/1164065202.db2.gz QYRWREVFENURPZ-APPZFPTMSA-N -1 1 275.337 1.553 20 0 CDADMM OC1(COc2cccnc2-c2nnn[n-]2)CCCCC1 ZINC001607099224 1164080469 /nfs/dbraw/zinc/08/04/69/1164080469.db2.gz INFBKFBVSZAWRL-UHFFFAOYSA-N -1 1 275.312 1.336 20 0 CDADMM OC1(COc2cccnc2-c2nn[n-]n2)CCCCC1 ZINC001607099224 1164080475 /nfs/dbraw/zinc/08/04/75/1164080475.db2.gz INFBKFBVSZAWRL-UHFFFAOYSA-N -1 1 275.312 1.336 20 0 CDADMM c1cc2c(c(NCc3cccc(-c4nnn[n-]4)n3)c1)OCC2 ZINC001607118963 1164100679 /nfs/dbraw/zinc/10/06/79/1164100679.db2.gz GMKOUUWLJBKRJV-UHFFFAOYSA-N -1 1 294.318 1.809 20 0 CDADMM c1cc2c(c(NCc3cccc(-c4nn[n-]n4)n3)c1)OCC2 ZINC001607118963 1164100685 /nfs/dbraw/zinc/10/06/85/1164100685.db2.gz GMKOUUWLJBKRJV-UHFFFAOYSA-N -1 1 294.318 1.809 20 0 CDADMM c1cc(N2CCOC[C@@H]2CC2CC2)cc(-c2nnn[n-]2)n1 ZINC001607119987 1164103345 /nfs/dbraw/zinc/10/33/45/1164103345.db2.gz PCBGCEJPIUUUGX-LBPRGKRZSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(N2CCOC[C@@H]2CC2CC2)cc(-c2nn[n-]n2)n1 ZINC001607119987 1164103347 /nfs/dbraw/zinc/10/33/47/1164103347.db2.gz PCBGCEJPIUUUGX-LBPRGKRZSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(S[C@@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001607126417 1164107966 /nfs/dbraw/zinc/10/79/66/1164107966.db2.gz WEBQBZRPAIJOQE-SECBINFHSA-N -1 1 263.326 1.533 20 0 CDADMM c1cc(S[C@@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001607126417 1164107968 /nfs/dbraw/zinc/10/79/68/1164107968.db2.gz WEBQBZRPAIJOQE-SECBINFHSA-N -1 1 263.326 1.533 20 0 CDADMM c1ccc(C[C@H]2C[C@@H]2Nc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001607129647 1164110057 /nfs/dbraw/zinc/11/00/57/1164110057.db2.gz NLHIAIRTLQOGSZ-JSGCOSHPSA-N -1 1 292.346 1.727 20 0 CDADMM c1ccc(C[C@H]2C[C@@H]2Nc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001607129647 1164110061 /nfs/dbraw/zinc/11/00/61/1164110061.db2.gz NLHIAIRTLQOGSZ-JSGCOSHPSA-N -1 1 292.346 1.727 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OCC[C@@H]2CCCCO2)c1 ZINC001607133788 1164112528 /nfs/dbraw/zinc/11/25/28/1164112528.db2.gz QHZAKZQDFCOELH-JTQLQIEISA-N -1 1 275.312 1.600 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OCC[C@@H]2CCCCO2)c1 ZINC001607133788 1164112534 /nfs/dbraw/zinc/11/25/34/1164112534.db2.gz QHZAKZQDFCOELH-JTQLQIEISA-N -1 1 275.312 1.600 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CCCC23CCCCC3)n1 ZINC001607136611 1164115727 /nfs/dbraw/zinc/11/57/27/1164115727.db2.gz LSSIUXVVMAWEQS-UHFFFAOYSA-N -1 1 285.355 1.960 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CCCC23CCCCC3)n1 ZINC001607136611 1164115734 /nfs/dbraw/zinc/11/57/34/1164115734.db2.gz LSSIUXVVMAWEQS-UHFFFAOYSA-N -1 1 285.355 1.960 20 0 CDADMM c1nc(N[C@H]2CCC[C@@H]3C[C@@H]32)cc(-c2nnn[n-]2)n1 ZINC001607137258 1164116104 /nfs/dbraw/zinc/11/61/04/1164116104.db2.gz NPQMMVJKHIGSDQ-VGMNWLOBSA-N -1 1 257.301 1.257 20 0 CDADMM c1nc(N[C@H]2CCC[C@@H]3C[C@@H]32)cc(-c2nn[n-]n2)n1 ZINC001607137258 1164116107 /nfs/dbraw/zinc/11/61/07/1164116107.db2.gz NPQMMVJKHIGSDQ-VGMNWLOBSA-N -1 1 257.301 1.257 20 0 CDADMM C[C@H](CC(=O)[O-])NC(=O)Nc1cc(CN(C)C)ccn1 ZINC001607452430 1164186329 /nfs/dbraw/zinc/18/63/29/1164186329.db2.gz AHHKJUBYBLMXTI-SECBINFHSA-N -1 1 280.328 1.128 20 0 CDADMM C[C@H]1CN(C[C@@H]2CCC(C)(C)CO2)C[C@@H](C(=O)[O-])O1 ZINC001607476262 1164195008 /nfs/dbraw/zinc/19/50/08/1164195008.db2.gz JDDKHBZZYGEAMM-SRVKXCTJSA-N -1 1 271.357 1.366 20 0 CDADMM Cc1cc(C(=O)N(C)Cc2cnc[nH]2)oc1C(=O)[O-] ZINC001607569910 1164227409 /nfs/dbraw/zinc/22/74/09/1164227409.db2.gz FDBFRBNXIYHGAM-UHFFFAOYSA-N -1 1 263.253 1.282 20 0 CDADMM Cc1cc(C(=O)NC2(c3nnc[nH]3)CCC2)oc1C(=O)[O-] ZINC001607577870 1164230759 /nfs/dbraw/zinc/23/07/59/1164230759.db2.gz YRUKKBHNRIOUHS-UHFFFAOYSA-N -1 1 290.279 1.214 20 0 CDADMM Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)n1 ZINC001607698725 1164273795 /nfs/dbraw/zinc/27/37/95/1164273795.db2.gz FPFVOMGQHJPREN-HFAKWTLXSA-N -1 1 291.351 1.881 20 0 CDADMM Cc1cc(=O)[n-]c([C@@H](C)[N@@H+]2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)n1 ZINC001607698725 1164273801 /nfs/dbraw/zinc/27/38/01/1164273801.db2.gz FPFVOMGQHJPREN-HFAKWTLXSA-N -1 1 291.351 1.881 20 0 CDADMM Cc1cc(=O)[n-]c([C@@H](C)[N@H+]2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)n1 ZINC001607698725 1164273808 /nfs/dbraw/zinc/27/38/08/1164273808.db2.gz FPFVOMGQHJPREN-HFAKWTLXSA-N -1 1 291.351 1.881 20 0 CDADMM Cc1[nH+]c(N2CC[C@H](C)[C@H](C(=O)[O-])C2)ccc1C(=O)[O-] ZINC001607961360 1164354911 /nfs/dbraw/zinc/35/49/11/1164354911.db2.gz UPRIZVOZRJKKTQ-GZMMTYOYSA-N -1 1 278.308 1.635 20 0 CDADMM Cc1oncc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC001187409610 1164363848 /nfs/dbraw/zinc/36/38/48/1164363848.db2.gz CGCVAIYCCWXLBS-UHFFFAOYSA-N -1 1 272.248 1.604 20 0 CDADMM Cc1oc(CN(C)C[C@@H](O)c2ccccn2)cc1C(=O)[O-] ZINC001608045799 1164390677 /nfs/dbraw/zinc/39/06/77/1164390677.db2.gz BGVCGWDBPPWDFH-CQSZACIVSA-N -1 1 290.319 1.847 20 0 CDADMM Cc1sc(C(=O)[O-])cc1CNC1(C(=O)N(C)C)CC1 ZINC001608060751 1164397054 /nfs/dbraw/zinc/39/70/54/1164397054.db2.gz GTVCPBAVGMYXRP-UHFFFAOYSA-N -1 1 282.365 1.465 20 0 CDADMM O=C([O-])c1ccc(CC(=O)Nc2ccc3nc[nH]c3c2)cn1 ZINC001608362294 1164498270 /nfs/dbraw/zinc/49/82/70/1164498270.db2.gz SBDSITMROAKSTJ-UHFFFAOYSA-N -1 1 296.286 1.837 20 0 CDADMM O=C([O-])C(=O)CCCOC(=O)c1ccc(O)c(Cl)c1 ZINC001608528390 1164532727 /nfs/dbraw/zinc/53/27/27/1164532727.db2.gz ATDPDVZOCONIGX-UHFFFAOYSA-N -1 1 286.667 1.636 20 0 CDADMM O=C([O-])C[C@H]1C(=O)NCCN1C[C@@H]1C[C@H]1c1ccccc1 ZINC001608690627 1164606219 /nfs/dbraw/zinc/60/62/19/1164606219.db2.gz URARCXQUPSCZLE-IHRRRGAJSA-N -1 1 288.347 1.065 20 0 CDADMM O=C([O-])CCNC(=O)CCNCc1cccc(F)c1F ZINC001608728328 1164621852 /nfs/dbraw/zinc/62/18/52/1164621852.db2.gz ATNDVXGHADKZJS-UHFFFAOYSA-N -1 1 286.278 1.035 20 0 CDADMM CC(C)[C@H]1CN(c2cccnc2-c2nnn[n-]2)CCCO1 ZINC001609091223 1164765231 /nfs/dbraw/zinc/76/52/31/1164765231.db2.gz IJQZRPYGCLMMBI-GFCCVEGCSA-N -1 1 288.355 1.513 20 0 CDADMM CC(C)[C@H]1CN(c2cccnc2-c2nn[n-]n2)CCCO1 ZINC001609091223 1164765238 /nfs/dbraw/zinc/76/52/38/1164765238.db2.gz IJQZRPYGCLMMBI-GFCCVEGCSA-N -1 1 288.355 1.513 20 0 CDADMM CC1(C)C[C@H]1CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609144717 1164794731 /nfs/dbraw/zinc/79/47/31/1164794731.db2.gz KRTXOSGGKHELHC-VIFPVBQESA-N -1 1 272.312 1.038 20 0 CDADMM C[C@@]1(F)CCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001609150053 1164797160 /nfs/dbraw/zinc/79/71/60/1164797160.db2.gz KHMSVDOYCDGLKV-GFCCVEGCSA-N -1 1 262.292 1.590 20 0 CDADMM C[C@@]1(F)CCCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001609150053 1164797167 /nfs/dbraw/zinc/79/71/67/1164797167.db2.gz KHMSVDOYCDGLKV-GFCCVEGCSA-N -1 1 262.292 1.590 20 0 CDADMM CC1=CCC[C@H](C)[C@@H]1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001609151668 1164799650 /nfs/dbraw/zinc/79/96/50/1164799650.db2.gz NIVJLTOHBIFVEW-VHSXEESVSA-N -1 1 273.344 1.994 20 0 CDADMM CC1=CCC[C@H](C)[C@@H]1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001609151668 1164799652 /nfs/dbraw/zinc/79/96/52/1164799652.db2.gz NIVJLTOHBIFVEW-VHSXEESVSA-N -1 1 273.344 1.994 20 0 CDADMM C[C@@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001609161962 1164807935 /nfs/dbraw/zinc/80/79/35/1164807935.db2.gz YKZQRUZAMKJHBU-UTLUCORTSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001609161962 1164807940 /nfs/dbraw/zinc/80/79/40/1164807940.db2.gz YKZQRUZAMKJHBU-UTLUCORTSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@H]1CCCCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609165318 1164811760 /nfs/dbraw/zinc/81/17/60/1164811760.db2.gz JWCYGTDEPWCXLP-VIFPVBQESA-N -1 1 272.312 1.276 20 0 CDADMM C[C@H]1CCCCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609165318 1164811765 /nfs/dbraw/zinc/81/17/65/1164811765.db2.gz JWCYGTDEPWCXLP-VIFPVBQESA-N -1 1 272.312 1.276 20 0 CDADMM C[C@@H]1CCN(c2cccnc2-c2nnn[n-]2)C[C@@H]1F ZINC001609168620 1164813874 /nfs/dbraw/zinc/81/38/74/1164813874.db2.gz IQXRXHPJNKUILG-BDAKNGLRSA-N -1 1 262.292 1.446 20 0 CDADMM C[C@@H]1CCN(c2cccnc2-c2nn[n-]n2)C[C@@H]1F ZINC001609168620 1164813885 /nfs/dbraw/zinc/81/38/85/1164813885.db2.gz IQXRXHPJNKUILG-BDAKNGLRSA-N -1 1 262.292 1.446 20 0 CDADMM CC[C@H](C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)o1)OC ZINC001609185861 1164827180 /nfs/dbraw/zinc/82/71/80/1164827180.db2.gz PACOUZMKQMUPEN-GZMMTYOYSA-N -1 1 293.327 1.251 20 0 CDADMM CC[C@H](C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)o1)OC ZINC001609185861 1164827185 /nfs/dbraw/zinc/82/71/85/1164827185.db2.gz PACOUZMKQMUPEN-GZMMTYOYSA-N -1 1 293.327 1.251 20 0 CDADMM CCC1(C(=O)Nc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001609196714 1164836403 /nfs/dbraw/zinc/83/64/03/1164836403.db2.gz ZLEYJYWMGCEIRS-UHFFFAOYSA-N -1 1 278.341 1.760 20 0 CDADMM CCC1(C(=O)Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001609196714 1164836410 /nfs/dbraw/zinc/83/64/10/1164836410.db2.gz ZLEYJYWMGCEIRS-UHFFFAOYSA-N -1 1 278.341 1.760 20 0 CDADMM CCN(Cc1ccccn1)c1cnc(-c2nnn[n-]2)cn1 ZINC001609225408 1164855348 /nfs/dbraw/zinc/85/53/48/1164855348.db2.gz JOZWMCFRYZBSPI-UHFFFAOYSA-N -1 1 282.311 1.078 20 0 CDADMM CCN(Cc1ccccn1)c1cnc(-c2nn[n-]n2)cn1 ZINC001609225408 1164855351 /nfs/dbraw/zinc/85/53/51/1164855351.db2.gz JOZWMCFRYZBSPI-UHFFFAOYSA-N -1 1 282.311 1.078 20 0 CDADMM COc1ncccc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609366436 1164911290 /nfs/dbraw/zinc/91/12/90/1164911290.db2.gz SZTKUAMOYFPOLD-UHFFFAOYSA-N -1 1 286.251 1.116 20 0 CDADMM Cc1ccc([C@@H]2C[C@H]2Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001609428253 1164943586 /nfs/dbraw/zinc/94/35/86/1164943586.db2.gz QCTBZXJXFGCXTC-NWDGAFQWSA-N -1 1 293.334 1.933 20 0 CDADMM Cc1ccc([C@@H]2C[C@H]2Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001609428253 1164943590 /nfs/dbraw/zinc/94/35/90/1164943590.db2.gz QCTBZXJXFGCXTC-NWDGAFQWSA-N -1 1 293.334 1.933 20 0 CDADMM Cc1cccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001609433102 1164944939 /nfs/dbraw/zinc/94/49/39/1164944939.db2.gz HUSZIHOYUOQNIA-UHFFFAOYSA-N -1 1 280.291 1.822 20 0 CDADMM Cc1cccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001609433102 1164944943 /nfs/dbraw/zinc/94/49/43/1164944943.db2.gz HUSZIHOYUOQNIA-UHFFFAOYSA-N -1 1 280.291 1.822 20 0 CDADMM Cc1cnc(COc2cccc(F)c2-c2nnn[n-]2)nc1 ZINC001609441025 1164947179 /nfs/dbraw/zinc/94/71/79/1164947179.db2.gz KITNPPTZMRALMP-UHFFFAOYSA-N -1 1 286.270 1.683 20 0 CDADMM Cc1cnc(COc2cccc(F)c2-c2nn[n-]n2)nc1 ZINC001609441025 1164947184 /nfs/dbraw/zinc/94/71/84/1164947184.db2.gz KITNPPTZMRALMP-UHFFFAOYSA-N -1 1 286.270 1.683 20 0 CDADMM Cc1[nH]nc(NCC2CCCCC2)c1-c1nnn[n-]1 ZINC001609444457 1164952025 /nfs/dbraw/zinc/95/20/25/1164952025.db2.gz DCYHTLLTLKVUOY-UHFFFAOYSA-N -1 1 261.333 1.890 20 0 CDADMM Cc1[nH]nc(NCC2CCCCC2)c1-c1nn[n-]n1 ZINC001609444457 1164952030 /nfs/dbraw/zinc/95/20/30/1164952030.db2.gz DCYHTLLTLKVUOY-UHFFFAOYSA-N -1 1 261.333 1.890 20 0 CDADMM Cc1ncc(COc2ccc(F)nc2-c2nn[n-]n2)s1 ZINC001609455906 1164959421 /nfs/dbraw/zinc/95/94/21/1164959421.db2.gz SHZQOCBYUYMKTJ-UHFFFAOYSA-N -1 1 292.299 1.745 20 0 CDADMM Cl/C=C(/Cl)COc1cccnc1-c1nnn[n-]1 ZINC001609472073 1164964312 /nfs/dbraw/zinc/96/43/12/1164964312.db2.gz KSGRKLRCZYSBSK-GQCTYLIASA-N -1 1 272.095 1.960 20 0 CDADMM Cl/C=C(/Cl)COc1cccnc1-c1nn[n-]n1 ZINC001609472073 1164964319 /nfs/dbraw/zinc/96/43/19/1164964319.db2.gz KSGRKLRCZYSBSK-GQCTYLIASA-N -1 1 272.095 1.960 20 0 CDADMM ClC1(Cl)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001609472063 1164965802 /nfs/dbraw/zinc/96/58/02/1164965802.db2.gz KJEAYSUHISALSV-RXMQYKEDSA-N -1 1 286.126 1.262 20 0 CDADMM ClC1(Cl)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001609472063 1164965806 /nfs/dbraw/zinc/96/58/06/1164965806.db2.gz KJEAYSUHISALSV-RXMQYKEDSA-N -1 1 286.126 1.262 20 0 CDADMM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001609520233 1164980487 /nfs/dbraw/zinc/98/04/87/1164980487.db2.gz JQMSERKXCBADDX-YWVKMMECSA-N -1 1 299.334 1.947 20 0 CDADMM O=C(Nc1cncc(F)c1)c1ccc(-c2nnn[n-]2)o1 ZINC001609569234 1164991172 /nfs/dbraw/zinc/99/11/72/1164991172.db2.gz JZUZGCRGFHHQLR-UHFFFAOYSA-N -1 1 274.215 1.246 20 0 CDADMM O=C(Nc1cncc(F)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001609569234 1164991177 /nfs/dbraw/zinc/99/11/77/1164991177.db2.gz JZUZGCRGFHHQLR-UHFFFAOYSA-N -1 1 274.215 1.246 20 0 CDADMM c1ccc([C@H]2C[C@@H]2CNc2nccnc2-c2nnn[n-]2)cc1 ZINC001609617553 1165012375 /nfs/dbraw/zinc/01/23/75/1165012375.db2.gz BTGPVXAILOEFRX-VXGBXAGGSA-N -1 1 293.334 1.872 20 0 CDADMM c1ccc([C@H]2C[C@@H]2CNc2nccnc2-c2nn[n-]n2)cc1 ZINC001609617553 1165012388 /nfs/dbraw/zinc/01/23/88/1165012388.db2.gz BTGPVXAILOEFRX-VXGBXAGGSA-N -1 1 293.334 1.872 20 0 CDADMM c1nc(N2C[C@H](C3CC3)[C@@H]2C2CC2)cnc1-c1nnn[n-]1 ZINC001609620956 1165017889 /nfs/dbraw/zinc/01/78/89/1165017889.db2.gz KMPVRIQQOWYKOM-MFKMUULPSA-N -1 1 283.339 1.282 20 0 CDADMM c1nc(N2C[C@H](C3CC3)[C@@H]2C2CC2)cnc1-c1nn[n-]n1 ZINC001609620956 1165017895 /nfs/dbraw/zinc/01/78/95/1165017895.db2.gz KMPVRIQQOWYKOM-MFKMUULPSA-N -1 1 283.339 1.282 20 0 CDADMM C[C@H](N[C@@H](C(=O)[O-])C1CC1)C(=O)NCc1ccc(F)cc1 ZINC001609773765 1165074672 /nfs/dbraw/zinc/07/46/72/1165074672.db2.gz IPPYQLJHSIKVSP-TVQRCGJNSA-N -1 1 294.326 1.283 20 0 CDADMM CN(Cn1cc(C(=O)[O-])nn1)[C@@H]1CCC(C)(C)C1 ZINC001610125657 1165225121 /nfs/dbraw/zinc/22/51/21/1165225121.db2.gz CFEGIIDPBCTOCN-SECBINFHSA-N -1 1 252.318 1.444 20 0 CDADMM CCC[C@H](O)CNc1nc(N(C)C)[n-]c(=O)c1N=O ZINC001252775022 1165228006 /nfs/dbraw/zinc/22/80/06/1165228006.db2.gz CYTQPODBNIKGBZ-ZETCQYMHSA-N -1 1 269.305 1.219 20 0 CDADMM COC(=O)[C@@H](C)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001610151430 1165237018 /nfs/dbraw/zinc/23/70/18/1165237018.db2.gz AVWVDADMIREULN-IAQYHMDHSA-N -1 1 277.320 1.276 20 0 CDADMM COc1coc(CN2CCC[C@](C)(C(=O)[O-])C2)cc1=O ZINC001610369112 1165295591 /nfs/dbraw/zinc/29/55/91/1165295591.db2.gz LKZIJMWRTFDXTQ-AWEZNQCLSA-N -1 1 281.308 1.335 20 0 CDADMM C[C@H]1CN(C[C@@H]2CCC(C)(C)O2)C[C@@H](C(=O)[O-])O1 ZINC001610396020 1165306445 /nfs/dbraw/zinc/30/64/45/1165306445.db2.gz PTVYPFAJMVXEPI-DCAQKATOSA-N -1 1 257.330 1.118 20 0 CDADMM Cc1cc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)n[nH]1 ZINC001610438705 1165316691 /nfs/dbraw/zinc/31/66/91/1165316691.db2.gz QLJSDLKZFDRALW-UHFFFAOYSA-N -1 1 285.263 1.545 20 0 CDADMM Cc1ncc(CN2[C@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)cn1 ZINC001610562649 1165356447 /nfs/dbraw/zinc/35/64/47/1165356447.db2.gz IGFHTDVAKZZXDF-HYNSBDGHSA-N -1 1 291.351 1.380 20 0 CDADMM CCc1[n-]n(C[C@@H]2COc3ccccc3O2)c(=O)c1F ZINC000871944913 1165361911 /nfs/dbraw/zinc/36/19/11/1165361911.db2.gz IGQYHVSBOCEGFS-NOZJJQNGSA-N -1 1 278.283 1.773 20 0 CDADMM Cn1cc(C[C@H]2CC[N@@H+](Cc3oncc3C(=O)[O-])C2)cn1 ZINC001610603842 1165373950 /nfs/dbraw/zinc/37/39/50/1165373950.db2.gz QWZNGXWKXIOXFJ-SNVBAGLBSA-N -1 1 290.323 1.171 20 0 CDADMM O=C([O-])C1(CN2CCN(C(=O)c3ccsc3)CC2)CC1 ZINC001610882061 1165473826 /nfs/dbraw/zinc/47/38/26/1165473826.db2.gz SNMIBHSYQXSLFT-UHFFFAOYSA-N -1 1 294.376 1.371 20 0 CDADMM CCn1ccnc1CNC(=O)c1ccc([O-])c(F)c1 ZINC001625160631 1165889994 /nfs/dbraw/zinc/88/99/94/1165889994.db2.gz LHVPYXQWUKLKFC-UHFFFAOYSA-N -1 1 263.272 1.678 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1oc2ccccc2c1CO ZINC001625354062 1165902928 /nfs/dbraw/zinc/90/29/28/1165902928.db2.gz DYOGQIQLCFWFFO-UHFFFAOYSA-N -1 1 287.275 1.915 20 0 CDADMM Cc1cccc2nc(CNC(=O)c3ccc([O-])cn3)cn21 ZINC001629064873 1166113656 /nfs/dbraw/zinc/11/36/56/1166113656.db2.gz QNOZDMOUMOPGSL-UHFFFAOYSA-N -1 1 282.303 1.673 20 0 CDADMM CCOc1ccccc1-c1cc(C(=O)Nc2nn[n-]n2)n[nH]1 ZINC001629822528 1166166393 /nfs/dbraw/zinc/16/63/93/1166166393.db2.gz QJNDQGIJEIWVAX-UHFFFAOYSA-N -1 1 299.294 1.241 20 0 CDADMM Cn1cnc(-c2ccc(NC(=O)c3ccc([O-])cn3)cc2)n1 ZINC001632647054 1166364168 /nfs/dbraw/zinc/36/41/68/1166364168.db2.gz DJJDLNAGLZANKU-UHFFFAOYSA-N -1 1 295.302 1.835 20 0 CDADMM CCC[C@H](NC(=O)c1cccc(OC)c1O)c1nn[n-]n1 ZINC000095287811 1166620620 /nfs/dbraw/zinc/62/06/20/1166620620.db2.gz UOJGZOIDHKAMKQ-VIFPVBQESA-N -1 1 291.311 1.185 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cnn(Cc2ccccc2)c1 ZINC001638735295 1166868610 /nfs/dbraw/zinc/86/86/10/1166868610.db2.gz BSHGFIQYZOSQTD-UHFFFAOYSA-N -1 1 283.291 1.612 20 0 CDADMM O=C(Nc1ccncc1[O-])c1coc(-c2cccnc2)n1 ZINC001641254795 1167091009 /nfs/dbraw/zinc/09/10/09/1167091009.db2.gz GSTXFPWORFADAM-UHFFFAOYSA-N -1 1 282.259 1.511 20 0 CDADMM Nc1cccnc1NC(=O)c1nc2ccc(Cl)nc2[n-]1 ZINC001155171851 1167101906 /nfs/dbraw/zinc/10/19/06/1167101906.db2.gz ZALQPTSTVVCQEP-UHFFFAOYSA-N -1 1 288.698 1.841 20 0 CDADMM COCC1(NC(=O)c2[n-][nH]c3cc(=O)ccc2-3)CCC1 ZINC001155269466 1167110715 /nfs/dbraw/zinc/11/07/15/1167110715.db2.gz HMDSSZBKOHPJMF-UHFFFAOYSA-N -1 1 275.308 1.567 20 0 CDADMM O=C(CNc1ccccc1Cl)Nc1c[n-][nH]c1=O ZINC001641598185 1167123324 /nfs/dbraw/zinc/12/33/24/1167123324.db2.gz NUYHKVVZJNUJHH-UHFFFAOYSA-N -1 1 266.688 1.819 20 0 CDADMM CN(C(=O)CCSc1ccccc1F)c1nn[n-]n1 ZINC001647399681 1168648410 /nfs/dbraw/zinc/64/84/10/1168648410.db2.gz UANJASFWJBHQQD-UHFFFAOYSA-N -1 1 281.316 1.484 20 0 CDADMM CCc1ccc([C@H](C)NC(=O)COCc2nn[n-]n2)cc1 ZINC001647409714 1168657134 /nfs/dbraw/zinc/65/71/34/1168657134.db2.gz AUXQKIMWLQQOIF-JTQLQIEISA-N -1 1 289.339 1.156 20 0 CDADMM Cn1cnnc1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001567438826 1168761715 /nfs/dbraw/zinc/76/17/15/1168761715.db2.gz YZHPEOYZRGJQSU-UHFFFAOYSA-N -1 1 284.275 1.632 20 0 CDADMM O=C(NCc1ccc2nonc2c1)c1cc(F)ccc1[O-] ZINC001648464007 1169132346 /nfs/dbraw/zinc/13/23/46/1169132346.db2.gz AMGXAPMGDIOILP-UHFFFAOYSA-N -1 1 287.250 1.998 20 0 CDADMM CCC[C@H](NC(=O)[C@@H](C)OC1CCCCC1)c1nn[n-]n1 ZINC001649720911 1169307874 /nfs/dbraw/zinc/30/78/74/1169307874.db2.gz QYRZNYUDISSFHE-PWSUYJOCSA-N -1 1 295.387 1.895 20 0 CDADMM O=C([O-])[C@@H](CO)NCc1cccc(F)c1Br ZINC001650014903 1169608865 /nfs/dbraw/zinc/60/88/65/1169608865.db2.gz DLRCPZNGZFLMJK-MRVPVSSYSA-N -1 1 292.104 1.123 20 0 CDADMM C[C@@H]1CN(Cc2cccc3ncccc23)C[C@H](C(=O)[O-])O1 ZINC001650014474 1169609044 /nfs/dbraw/zinc/60/90/44/1169609044.db2.gz YSZOXGBXUOBJHX-IAQYHMDHSA-N -1 1 286.331 1.909 20 0 CDADMM COC(=O)c1cccc2c1CN(C[C@@H]1C[C@H]1C(=O)[O-])CC2 ZINC001573941107 1170835166 /nfs/dbraw/zinc/83/51/66/1170835166.db2.gz CNADDTHDADZWDL-WCQYABFASA-N -1 1 289.331 1.552 20 0 CDADMM Cc1cc(=O)[n-]c(C[NH2+][C@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC001574145216 1170896284 /nfs/dbraw/zinc/89/62/84/1170896284.db2.gz ZBISPSXCBCNADC-ZJUUUORDSA-N -1 1 265.313 1.224 20 0 CDADMM C[C@@H](CCC(C)(C)C)C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001650581561 1171203491 /nfs/dbraw/zinc/20/34/91/1171203491.db2.gz DALVZXPVSYJYEG-QWRGUYRKSA-N -1 1 279.388 1.978 20 0 CDADMM Cc1ccc(C)c(OCC(=O)Nc2c[n-][nH]c2=O)c1 ZINC001651044408 1171281816 /nfs/dbraw/zinc/28/18/16/1171281816.db2.gz HXKCYRIQNGGBRB-UHFFFAOYSA-N -1 1 261.281 1.750 20 0 CDADMM COc1ccc(C(=O)Nc2cnc3n[nH]cc3c2)c([O-])c1 ZINC001652722528 1171468268 /nfs/dbraw/zinc/46/82/68/1171468268.db2.gz FCENZMHLAGCETG-UHFFFAOYSA-N -1 1 284.275 1.924 20 0 CDADMM O=C(COc1ccc(Cl)cc1)Nc1c[n-][nH]c1=O ZINC001654600273 1171622035 /nfs/dbraw/zinc/62/20/35/1171622035.db2.gz XCXJWFLJNQMGKB-UHFFFAOYSA-N -1 1 267.672 1.786 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cnc2ccccc2n1 ZINC001654600292 1171622324 /nfs/dbraw/zinc/62/23/24/1171622324.db2.gz XOXZFWZGYZYWEF-UHFFFAOYSA-N -1 1 255.237 1.311 20 0 CDADMM COc1ccc(Oc2cccc(-c3nnn[n-]3)n2)cn1 ZINC001580048485 1172334925 /nfs/dbraw/zinc/33/49/25/1172334925.db2.gz IVHZHFDVTSDEHQ-UHFFFAOYSA-N -1 1 270.252 1.458 20 0 CDADMM COc1ccc(Oc2cccc(-c3nn[n-]n3)n2)cn1 ZINC001580048485 1172334931 /nfs/dbraw/zinc/33/49/31/1172334931.db2.gz IVHZHFDVTSDEHQ-UHFFFAOYSA-N -1 1 270.252 1.458 20 0 CDADMM O=C(N[C@H]1CCOC1=O)c1ccc2ccccc2c1[O-] ZINC000019836703 1172437924 /nfs/dbraw/zinc/43/79/24/1172437924.db2.gz VXAKFSWWHYIHBX-LBPRGKRZSA-N -1 1 271.272 1.591 20 0 CDADMM Cc1ccc(CNc2nc(C)cc(-c3nnn[n-]3)n2)nc1 ZINC001581200256 1172592823 /nfs/dbraw/zinc/59/28/23/1172592823.db2.gz DCXZGFXKJYATTQ-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1ccc(CNc2nc(C)cc(-c3nn[n-]n3)n2)nc1 ZINC001581200256 1172592830 /nfs/dbraw/zinc/59/28/30/1172592830.db2.gz DCXZGFXKJYATTQ-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cccnc1F ZINC001582644749 1172686745 /nfs/dbraw/zinc/68/67/45/1172686745.db2.gz MXPNMROXMWNAKH-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cccnc1F ZINC001582644749 1172686752 /nfs/dbraw/zinc/68/67/52/1172686752.db2.gz MXPNMROXMWNAKH-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM CC(C)(C)[C@@H]1CCCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001589101894 1173124564 /nfs/dbraw/zinc/12/45/64/1173124564.db2.gz AVFCZNMLFOHBPC-SNVBAGLBSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)C1CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001589518278 1173153351 /nfs/dbraw/zinc/15/33/51/1173153351.db2.gz SAVGRNCUHLZZCV-UHFFFAOYSA-N -1 1 289.314 1.734 20 0 CDADMM CC(C)C1CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001589518278 1173153355 /nfs/dbraw/zinc/15/33/55/1173153355.db2.gz SAVGRNCUHLZZCV-UHFFFAOYSA-N -1 1 289.314 1.734 20 0 CDADMM CC(F)(F)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001589910576 1173199745 /nfs/dbraw/zinc/19/97/45/1173199745.db2.gz QLAUDNVAYIHCEF-UHFFFAOYSA-N -1 1 255.232 1.114 20 0 CDADMM CC(F)(F)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001589910576 1173199747 /nfs/dbraw/zinc/19/97/47/1173199747.db2.gz QLAUDNVAYIHCEF-UHFFFAOYSA-N -1 1 255.232 1.114 20 0 CDADMM C[C@H](NC(=O)c1ccsc1-c1nnn[n-]1)C1(C)CC1 ZINC001589949885 1173210056 /nfs/dbraw/zinc/21/00/56/1173210056.db2.gz RMYCYBUHEUEURM-ZETCQYMHSA-N -1 1 277.353 1.847 20 0 CDADMM C[C@H](NC(=O)c1ccsc1-c1nn[n-]n1)C1(C)CC1 ZINC001589949885 1173210061 /nfs/dbraw/zinc/21/00/61/1173210061.db2.gz RMYCYBUHEUEURM-ZETCQYMHSA-N -1 1 277.353 1.847 20 0 CDADMM C[C@@H](O)C[C@@H]1CCCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001589995443 1173226986 /nfs/dbraw/zinc/22/69/86/1173226986.db2.gz DUOHZSMMPFTUSZ-MNOVXSKESA-N -1 1 288.355 1.392 20 0 CDADMM C[C@@H](O)C[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001589995443 1173226989 /nfs/dbraw/zinc/22/69/89/1173226989.db2.gz DUOHZSMMPFTUSZ-MNOVXSKESA-N -1 1 288.355 1.392 20 0 CDADMM CC12CC(C1)CN2c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001590154191 1173276740 /nfs/dbraw/zinc/27/67/40/1173276740.db2.gz BKKLHQKMMCWJAV-UHFFFAOYSA-N -1 1 282.760 1.965 20 0 CDADMM CC12CC(C1)CN2c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590154191 1173276743 /nfs/dbraw/zinc/27/67/43/1173276743.db2.gz BKKLHQKMMCWJAV-UHFFFAOYSA-N -1 1 282.760 1.965 20 0 CDADMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001590217011 1173295101 /nfs/dbraw/zinc/29/51/01/1173295101.db2.gz CVRVEQDYKPXCMG-KLHWPWHYSA-N -1 1 298.350 1.517 20 0 CDADMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001590217011 1173295109 /nfs/dbraw/zinc/29/51/09/1173295109.db2.gz CVRVEQDYKPXCMG-KLHWPWHYSA-N -1 1 298.350 1.517 20 0 CDADMM C[C@H]1C[C@@H]1CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590221419 1173302262 /nfs/dbraw/zinc/30/22/62/1173302262.db2.gz SSZSJPMGXAERQY-JGVFFNPUSA-N -1 1 273.300 1.039 20 0 CDADMM C[C@H]1C[C@@H]1CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590221419 1173302269 /nfs/dbraw/zinc/30/22/69/1173302269.db2.gz SSZSJPMGXAERQY-JGVFFNPUSA-N -1 1 273.300 1.039 20 0 CDADMM C[C@@H]1CC2(CC(Nc3cccc(-c4nnn[n-]4)n3)C2)CO1 ZINC001590223708 1173304978 /nfs/dbraw/zinc/30/49/78/1173304978.db2.gz SEIAANIGPPCPOO-NAUIOFCNSA-N -1 1 286.339 1.631 20 0 CDADMM C[C@@H]1CC2(CC(Nc3cccc(-c4nn[n-]n4)n3)C2)CO1 ZINC001590223708 1173304984 /nfs/dbraw/zinc/30/49/84/1173304984.db2.gz SEIAANIGPPCPOO-NAUIOFCNSA-N -1 1 286.339 1.631 20 0 CDADMM C/C=C(/C)COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590349321 1173367945 /nfs/dbraw/zinc/36/79/45/1173367945.db2.gz IYQFNWLHEVIFMC-BAQGIRSFSA-N -1 1 259.269 1.385 20 0 CDADMM C/C=C(/C)COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590349321 1173367953 /nfs/dbraw/zinc/36/79/53/1173367953.db2.gz IYQFNWLHEVIFMC-BAQGIRSFSA-N -1 1 259.269 1.385 20 0 CDADMM CC[C@@H](C)n1ncc(Nc2ccnc(-c3nn[n-]n3)n2)c1C ZINC001590418915 1173403829 /nfs/dbraw/zinc/40/38/29/1173403829.db2.gz WTTAZEWEKPWWKI-MRVPVSSYSA-N -1 1 299.342 1.298 20 0 CDADMM CCC1(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001590488076 1173430862 /nfs/dbraw/zinc/43/08/62/1173430862.db2.gz MJZPBTJLIAUEFT-UHFFFAOYSA-N -1 1 278.341 1.130 20 0 CDADMM CCC1(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001590488076 1173430866 /nfs/dbraw/zinc/43/08/66/1173430866.db2.gz MJZPBTJLIAUEFT-UHFFFAOYSA-N -1 1 278.341 1.130 20 0 CDADMM CC[C@@H]1CCC[C@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590508346 1173440033 /nfs/dbraw/zinc/44/00/33/1173440033.db2.gz MXAMIKUUVYFRGH-MWLCHTKSSA-N -1 1 258.329 1.674 20 0 CDADMM CC[C@@H]1CCC[C@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590508346 1173440035 /nfs/dbraw/zinc/44/00/35/1173440035.db2.gz MXAMIKUUVYFRGH-MWLCHTKSSA-N -1 1 258.329 1.674 20 0 CDADMM CC[C@@H]1CCCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590512022 1173443616 /nfs/dbraw/zinc/44/36/16/1173443616.db2.gz BKJFIRQCMKXRRU-SNVBAGLBSA-N -1 1 286.339 1.524 20 0 CDADMM CC[C@@H]1CCCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590512022 1173443620 /nfs/dbraw/zinc/44/36/20/1173443620.db2.gz BKJFIRQCMKXRRU-SNVBAGLBSA-N -1 1 286.339 1.524 20 0 CDADMM CC[C@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001590513703 1173443807 /nfs/dbraw/zinc/44/38/07/1173443807.db2.gz WMQPQANMGVWSPC-JTQLQIEISA-N -1 1 273.344 1.673 20 0 CDADMM CCC1CN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001590523700 1173444208 /nfs/dbraw/zinc/44/42/08/1173444208.db2.gz KMQYNPCRVUVSMK-UHFFFAOYSA-N -1 1 270.749 1.823 20 0 CDADMM CCC1CN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001590523700 1173444213 /nfs/dbraw/zinc/44/42/13/1173444213.db2.gz KMQYNPCRVUVSMK-UHFFFAOYSA-N -1 1 270.749 1.823 20 0 CDADMM CCCN(CC(F)F)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590623237 1173479614 /nfs/dbraw/zinc/47/96/14/1173479614.db2.gz VTQYKBPAJPUQGG-UHFFFAOYSA-N -1 1 296.281 1.379 20 0 CDADMM CCCN(CC(F)F)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590623237 1173479622 /nfs/dbraw/zinc/47/96/22/1173479622.db2.gz VTQYKBPAJPUQGG-UHFFFAOYSA-N -1 1 296.281 1.379 20 0 CDADMM CCN(CC)C(=S)Sc1ccnc(-c2nnn[n-]2)c1 ZINC001590685156 1173490144 /nfs/dbraw/zinc/49/01/44/1173490144.db2.gz MWBLLRQYZOARNB-UHFFFAOYSA-N -1 1 294.409 1.981 20 0 CDADMM CCN(CC)C(=S)Sc1ccnc(-c2nn[n-]n2)c1 ZINC001590685156 1173490147 /nfs/dbraw/zinc/49/01/47/1173490147.db2.gz MWBLLRQYZOARNB-UHFFFAOYSA-N -1 1 294.409 1.981 20 0 CDADMM CCOCCCCOC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590811418 1173519889 /nfs/dbraw/zinc/51/98/89/1173519889.db2.gz UEYIUNZLGPJDMG-UHFFFAOYSA-N -1 1 291.311 1.235 20 0 CDADMM CCOCCCCOC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590811418 1173519893 /nfs/dbraw/zinc/51/98/93/1173519893.db2.gz UEYIUNZLGPJDMG-UHFFFAOYSA-N -1 1 291.311 1.235 20 0 CDADMM CCc1cnc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC001590901319 1173538804 /nfs/dbraw/zinc/53/88/04/1173538804.db2.gz AZFKQDHJMWRDNG-UHFFFAOYSA-N -1 1 285.267 1.064 20 0 CDADMM CCc1cnc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC001590901319 1173538812 /nfs/dbraw/zinc/53/88/12/1173538812.db2.gz AZFKQDHJMWRDNG-UHFFFAOYSA-N -1 1 285.267 1.064 20 0 CDADMM CCc1nc(N[C@H]2CC[C@@H](OC)C2)cc(-c2nnn[n-]2)n1 ZINC001590917455 1173543680 /nfs/dbraw/zinc/54/36/80/1173543680.db2.gz QEBINURCJQROIT-DTWKUNHWSA-N -1 1 289.343 1.199 20 0 CDADMM CCc1nc(N[C@H]2CC[C@@H](OC)C2)cc(-c2nn[n-]n2)n1 ZINC001590917455 1173543685 /nfs/dbraw/zinc/54/36/85/1173543685.db2.gz QEBINURCJQROIT-DTWKUNHWSA-N -1 1 289.343 1.199 20 0 CDADMM CN(C(=O)Cc1ccco1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590986017 1173557775 /nfs/dbraw/zinc/55/77/75/1173557775.db2.gz IKGNZFDUGCMYJA-UHFFFAOYSA-N -1 1 284.279 1.060 20 0 CDADMM CN(C(=O)Cc1ccco1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590986017 1173557779 /nfs/dbraw/zinc/55/77/79/1173557779.db2.gz IKGNZFDUGCMYJA-UHFFFAOYSA-N -1 1 284.279 1.060 20 0 CDADMM CN(Cc1ccco1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591149450 1173582239 /nfs/dbraw/zinc/58/22/39/1173582239.db2.gz GUGSMXDXZUQMPQ-UHFFFAOYSA-N -1 1 273.252 1.325 20 0 CDADMM CN(Cc1ccco1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591149450 1173582245 /nfs/dbraw/zinc/58/22/45/1173582245.db2.gz GUGSMXDXZUQMPQ-UHFFFAOYSA-N -1 1 273.252 1.325 20 0 CDADMM COC(=O)C[C@H](C)SCc1nc(-c2nnn[n-]2)cs1 ZINC001591259441 1173596968 /nfs/dbraw/zinc/59/69/68/1173596968.db2.gz WIHNRRSAVWHRBS-LURJTMIESA-N -1 1 299.381 1.508 20 0 CDADMM CO[C@@](C)(CNc1ccc(C)c(-c2nnn[n-]2)n1)C1CC1 ZINC001591316779 1173604821 /nfs/dbraw/zinc/60/48/21/1173604821.db2.gz BMAQZWXDMRAJFJ-AWEZNQCLSA-N -1 1 288.355 1.797 20 0 CDADMM CO[C@@](C)(CNc1ccc(C)c(-c2nn[n-]n2)n1)C1CC1 ZINC001591316779 1173604823 /nfs/dbraw/zinc/60/48/23/1173604823.db2.gz BMAQZWXDMRAJFJ-AWEZNQCLSA-N -1 1 288.355 1.797 20 0 CDADMM COc1cc(Cn2ccnc2-c2nnn[n-]2)ccc1C ZINC001591539965 1173665939 /nfs/dbraw/zinc/66/59/39/1173665939.db2.gz JVIFJQDRBKEHND-UHFFFAOYSA-N -1 1 270.296 1.429 20 0 CDADMM COc1cc(Cn2ccnc2-c2nn[n-]n2)ccc1C ZINC001591539965 1173665941 /nfs/dbraw/zinc/66/59/41/1173665941.db2.gz JVIFJQDRBKEHND-UHFFFAOYSA-N -1 1 270.296 1.429 20 0 CDADMM COc1ccc2c(c1)CCN2c1ccnc(-c2nnn[n-]2)c1 ZINC001591627134 1173677277 /nfs/dbraw/zinc/67/72/77/1173677277.db2.gz VVRBWQCLLROVCH-UHFFFAOYSA-N -1 1 294.318 1.965 20 0 CDADMM COc1ccc2c(c1)CCN2c1ccnc(-c2nn[n-]n2)c1 ZINC001591627134 1173677278 /nfs/dbraw/zinc/67/72/78/1173677278.db2.gz VVRBWQCLLROVCH-UHFFFAOYSA-N -1 1 294.318 1.965 20 0 CDADMM COc1cccc(CCNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001591635739 1173677360 /nfs/dbraw/zinc/67/73/60/1173677360.db2.gz WBYIBBRYDIGNDY-UHFFFAOYSA-N -1 1 297.322 1.320 20 0 CDADMM COc1cccc(CCNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001591635739 1173677369 /nfs/dbraw/zinc/67/73/69/1173677369.db2.gz WBYIBBRYDIGNDY-UHFFFAOYSA-N -1 1 297.322 1.320 20 0 CDADMM CS[C@@H](C)CC(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001591688769 1173678291 /nfs/dbraw/zinc/67/82/91/1173678291.db2.gz ZCLLXEBRUODBPB-QMMMGPOBSA-N -1 1 293.352 1.418 20 0 CDADMM CS[C@@H](C)C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001591687510 1173679186 /nfs/dbraw/zinc/67/91/86/1173679186.db2.gz APRZWSYTBBFHGD-YFKPBYRVSA-N -1 1 293.356 1.157 20 0 CDADMM COc1ncc(NC(=O)C2=CCCC2)cc1-c1nn[n-]n1 ZINC001591664044 1173679518 /nfs/dbraw/zinc/67/95/18/1173679518.db2.gz HQGMJSAIWHFVJQ-UHFFFAOYSA-N -1 1 286.295 1.319 20 0 CDADMM Cc1c[nH]c(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)n1 ZINC001591833016 1173712499 /nfs/dbraw/zinc/71/24/99/1173712499.db2.gz WMAVYRZIOUVYJF-UHFFFAOYSA-N -1 1 295.350 1.677 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](C)[C@@H](C)C2)n1 ZINC001591884947 1173738652 /nfs/dbraw/zinc/73/86/52/1173738652.db2.gz HYHLXVIFVUFSHS-IUCAKERBSA-N -1 1 273.344 1.447 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](C)[C@@H](C)C2)n1 ZINC001591884947 1173738656 /nfs/dbraw/zinc/73/86/56/1173738656.db2.gz HYHLXVIFVUFSHS-IUCAKERBSA-N -1 1 273.344 1.447 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCS[C@@H](C)C2)n1 ZINC001591893670 1173741126 /nfs/dbraw/zinc/74/11/26/1173741126.db2.gz OCGBFARNLYSDML-IUCAKERBSA-N -1 1 291.384 1.661 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCS[C@@H](C)C2)n1 ZINC001591893670 1173741128 /nfs/dbraw/zinc/74/11/28/1173741128.db2.gz OCGBFARNLYSDML-IUCAKERBSA-N -1 1 291.384 1.661 20 0 CDADMM Cc1cc(C(=O)OCc2cccnc2-c2nnn[n-]2)ccn1 ZINC001591937195 1173750109 /nfs/dbraw/zinc/75/01/09/1173750109.db2.gz BPXSBHJWMNHHJQ-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1cc(C(=O)OCc2cccnc2-c2nn[n-]n2)ccn1 ZINC001591937195 1173750126 /nfs/dbraw/zinc/75/01/26/1173750126.db2.gz BPXSBHJWMNHHJQ-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1cc(C)c(CNc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001591948273 1173752172 /nfs/dbraw/zinc/75/21/72/1173752172.db2.gz DTRWJTHIIXPPRZ-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1cc(C)c(CNc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001591948273 1173752181 /nfs/dbraw/zinc/75/21/81/1173752181.db2.gz DTRWJTHIIXPPRZ-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1cc(N2CC[C@@]3(CCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001592004669 1173772185 /nfs/dbraw/zinc/77/21/85/1173772185.db2.gz PCAKXNWQWJBXHQ-CQSZACIVSA-N -1 1 286.339 1.187 20 0 CDADMM Cc1cc(N2CC[C@@]3(CCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001592004669 1173772191 /nfs/dbraw/zinc/77/21/91/1173772191.db2.gz PCAKXNWQWJBXHQ-CQSZACIVSA-N -1 1 286.339 1.187 20 0 CDADMM Cc1cc(N2CCC[C@H]2C(C)(C)O)cc(-c2nnn[n-]2)n1 ZINC001592007151 1173772291 /nfs/dbraw/zinc/77/22/91/1173772291.db2.gz UPUANJYEBDQDAW-LBPRGKRZSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1cc(N2CCC[C@H]2C(C)(C)O)cc(-c2nn[n-]n2)n1 ZINC001592007151 1173772297 /nfs/dbraw/zinc/77/22/97/1173772297.db2.gz UPUANJYEBDQDAW-LBPRGKRZSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1cc(NC[C@H]2CCCOC2)nc(-c2nnn[n-]2)c1 ZINC001592043865 1173783719 /nfs/dbraw/zinc/78/37/19/1173783719.db2.gz LNADQHFWPSGHNE-SNVBAGLBSA-N -1 1 274.328 1.409 20 0 CDADMM Cc1cc(NC[C@H]2CCCOC2)nc(-c2nn[n-]n2)c1 ZINC001592043865 1173783721 /nfs/dbraw/zinc/78/37/21/1173783721.db2.gz LNADQHFWPSGHNE-SNVBAGLBSA-N -1 1 274.328 1.409 20 0 CDADMM Cc1cc(NC[C@H]2CCC=CO2)nc(-c2nnn[n-]2)c1 ZINC001592044680 1173784758 /nfs/dbraw/zinc/78/47/58/1173784758.db2.gz QXZQOAOKZYBRBR-SNVBAGLBSA-N -1 1 272.312 1.675 20 0 CDADMM Cc1cc(NC[C@H]2CCC=CO2)nc(-c2nn[n-]n2)c1 ZINC001592044680 1173784768 /nfs/dbraw/zinc/78/47/68/1173784768.db2.gz QXZQOAOKZYBRBR-SNVBAGLBSA-N -1 1 272.312 1.675 20 0 CDADMM Cc1cc(N[C@@H]2C[C@H]2c2ccco2)cc(-c2nnn[n-]2)n1 ZINC001592054941 1173789646 /nfs/dbraw/zinc/78/96/46/1173789646.db2.gz MWXGFJUOWDTOBP-GHMZBOCLSA-N -1 1 282.307 1.553 20 0 CDADMM Cc1cc(N[C@@H]2C[C@H]2c2ccco2)cc(-c2nn[n-]n2)n1 ZINC001592054941 1173789652 /nfs/dbraw/zinc/78/96/52/1173789652.db2.gz MWXGFJUOWDTOBP-GHMZBOCLSA-N -1 1 282.307 1.553 20 0 CDADMM Cc1ccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)s1 ZINC001592130969 1173807451 /nfs/dbraw/zinc/80/74/51/1173807451.db2.gz YAEHTTPDCSILGH-UHFFFAOYSA-N -1 1 275.297 1.212 20 0 CDADMM Cc1ccc(CCNC(=O)c2coc(-c3nnn[n-]3)c2)o1 ZINC001592151637 1173811332 /nfs/dbraw/zinc/81/13/32/1173811332.db2.gz DMHPQSVZIGZZGJ-UHFFFAOYSA-N -1 1 287.279 1.334 20 0 CDADMM Cc1ccc(CCNC(=O)c2coc(-c3nn[n-]n3)c2)o1 ZINC001592151637 1173811338 /nfs/dbraw/zinc/81/13/38/1173811338.db2.gz DMHPQSVZIGZZGJ-UHFFFAOYSA-N -1 1 287.279 1.334 20 0 CDADMM Cc1ccc(CNc2ccnc(-c3nnn[n-]3)c2)nc1C ZINC001592167865 1173821170 /nfs/dbraw/zinc/82/11/70/1173821170.db2.gz VIPHNWMSOCPOJC-UHFFFAOYSA-N -1 1 281.323 1.308 20 0 CDADMM Cc1ccc(CNc2ccnc(-c3nn[n-]n3)c2)nc1C ZINC001592167865 1173821177 /nfs/dbraw/zinc/82/11/77/1173821177.db2.gz VIPHNWMSOCPOJC-UHFFFAOYSA-N -1 1 281.323 1.308 20 0 CDADMM Cc1ccc(N(C)C[C@@H]2CCC[C@H]2O)nc1-c1nnn[n-]1 ZINC001592176027 1173823109 /nfs/dbraw/zinc/82/31/09/1173823109.db2.gz SKHRKNSHRJQRQI-WDEREUQCSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(N(C)C[C@@H]2CCC[C@H]2O)nc1-c1nn[n-]n1 ZINC001592176027 1173823112 /nfs/dbraw/zinc/82/31/12/1173823112.db2.gz SKHRKNSHRJQRQI-WDEREUQCSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(N2CCC[C@H](CO)CC2)c(-c2nnn[n-]2)n1 ZINC001592177911 1173825122 /nfs/dbraw/zinc/82/51/22/1173825122.db2.gz OFFFOMSFNRXSKN-NSHDSACASA-N -1 1 288.355 1.169 20 0 CDADMM Cc1ccc(N2CCC[C@H](CO)CC2)c(-c2nn[n-]n2)n1 ZINC001592177911 1173825127 /nfs/dbraw/zinc/82/51/27/1173825127.db2.gz OFFFOMSFNRXSKN-NSHDSACASA-N -1 1 288.355 1.169 20 0 CDADMM Cc1ccc(N2CCC([C@H](C)O)CC2)c(-c2nnn[n-]2)n1 ZINC001592177977 1173825977 /nfs/dbraw/zinc/82/59/77/1173825977.db2.gz QNKPTHFZWKAGCQ-JTQLQIEISA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(N2CCC([C@H](C)O)CC2)c(-c2nn[n-]n2)n1 ZINC001592177977 1173825983 /nfs/dbraw/zinc/82/59/83/1173825983.db2.gz QNKPTHFZWKAGCQ-JTQLQIEISA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(NCC2(CO)CCC2)nc1-c1nnn[n-]1 ZINC001592183110 1173826387 /nfs/dbraw/zinc/82/63/87/1173826387.db2.gz MGRPEQUYGRMOGK-UHFFFAOYSA-N -1 1 274.328 1.145 20 0 CDADMM Cc1ccc(NCC2(CO)CCC2)nc1-c1nn[n-]n1 ZINC001592183110 1173826391 /nfs/dbraw/zinc/82/63/91/1173826391.db2.gz MGRPEQUYGRMOGK-UHFFFAOYSA-N -1 1 274.328 1.145 20 0 CDADMM Cc1ccoc1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001592283906 1173847481 /nfs/dbraw/zinc/84/74/81/1173847481.db2.gz NTJWZQLKGMZMQN-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1ccoc1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001592283906 1173847485 /nfs/dbraw/zinc/84/74/85/1173847485.db2.gz NTJWZQLKGMZMQN-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1nc([C@H](C)OC(=O)c2coc(-c3nnn[n-]3)c2)no1 ZINC001592353897 1173863455 /nfs/dbraw/zinc/86/34/55/1173863455.db2.gz ILIJAHKBPOPEBF-YFKPBYRVSA-N -1 1 290.239 1.069 20 0 CDADMM Cc1nc([C@H](C)OC(=O)c2coc(-c3nn[n-]n3)c2)no1 ZINC001592353897 1173863463 /nfs/dbraw/zinc/86/34/63/1173863463.db2.gz ILIJAHKBPOPEBF-YFKPBYRVSA-N -1 1 290.239 1.069 20 0 CDADMM Cc1nc(N[C@H](C)CC(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001592378202 1173873092 /nfs/dbraw/zinc/87/30/92/1173873092.db2.gz GEXMCGXQLPUIDD-RXMQYKEDSA-N -1 1 287.249 1.718 20 0 CDADMM Cc1nc(N[C@H](C)CC(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001592378202 1173873094 /nfs/dbraw/zinc/87/30/94/1173873094.db2.gz GEXMCGXQLPUIDD-RXMQYKEDSA-N -1 1 287.249 1.718 20 0 CDADMM Cc1nc(NC[C@H]2CC(C)(C)CO2)cc(-c2nnn[n-]2)n1 ZINC001592387835 1173879404 /nfs/dbraw/zinc/87/94/04/1173879404.db2.gz LYFIGTSOMINBKJ-SECBINFHSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1nc(NC[C@H]2CC(C)(C)CO2)cc(-c2nn[n-]n2)n1 ZINC001592387835 1173879407 /nfs/dbraw/zinc/87/94/07/1173879407.db2.gz LYFIGTSOMINBKJ-SECBINFHSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1nocc1COC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001592466383 1173897517 /nfs/dbraw/zinc/89/75/17/1173897517.db2.gz RSHCUBLQARYQPO-UHFFFAOYSA-N -1 1 289.251 1.422 20 0 CDADMM Cc1nocc1COC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001592466383 1173897521 /nfs/dbraw/zinc/89/75/21/1173897521.db2.gz RSHCUBLQARYQPO-UHFFFAOYSA-N -1 1 289.251 1.422 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCSC[C@@H]1C ZINC001592500611 1173907774 /nfs/dbraw/zinc/90/77/74/1173907774.db2.gz XWAJMZGYTDGCIW-ZETCQYMHSA-N -1 1 293.352 1.346 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCSC[C@@H]1C ZINC001592500611 1173907778 /nfs/dbraw/zinc/90/77/78/1173907778.db2.gz XWAJMZGYTDGCIW-ZETCQYMHSA-N -1 1 293.352 1.346 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CC[C@H]1C ZINC001592499992 1173907973 /nfs/dbraw/zinc/90/79/73/1173907973.db2.gz UDCHRHSEVGFOPQ-MUWHJKNJSA-N -1 1 261.285 1.296 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CC[C@H]1C ZINC001592499992 1173907978 /nfs/dbraw/zinc/90/79/78/1173907978.db2.gz UDCHRHSEVGFOPQ-MUWHJKNJSA-N -1 1 261.285 1.296 20 0 CDADMM FC(F)C(F)(F)CNc1cccc(-c2nnn[n-]2)n1 ZINC001592625574 1173932212 /nfs/dbraw/zinc/93/22/12/1173932212.db2.gz XMSWQIVRJJTIMZ-UHFFFAOYSA-N -1 1 276.197 1.574 20 0 CDADMM FC(F)C(F)(F)CNc1cccc(-c2nn[n-]n2)n1 ZINC001592625574 1173932216 /nfs/dbraw/zinc/93/22/16/1173932216.db2.gz XMSWQIVRJJTIMZ-UHFFFAOYSA-N -1 1 276.197 1.574 20 0 CDADMM FC1(F)C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001592629530 1173937523 /nfs/dbraw/zinc/93/75/23/1173937523.db2.gz HUBFLKDVWQGULF-OCAPTIKFSA-N -1 1 293.281 1.423 20 0 CDADMM FC1(F)C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001592629530 1173937531 /nfs/dbraw/zinc/93/75/31/1173937531.db2.gz HUBFLKDVWQGULF-OCAPTIKFSA-N -1 1 293.281 1.423 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001592753025 1173985266 /nfs/dbraw/zinc/98/52/66/1173985266.db2.gz GMNUWHGADUDVSP-VHSXEESVSA-N -1 1 295.306 1.089 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C=Cc1cccc(F)c1 ZINC001592754870 1173986786 /nfs/dbraw/zinc/98/67/86/1173986786.db2.gz UYDJIUBSJVYQER-SNAWJCMRSA-N -1 1 299.269 1.138 20 0 CDADMM O=C(CC1CCCCCC1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592820428 1173993729 /nfs/dbraw/zinc/99/37/29/1173993729.db2.gz VSOXFMOIEQJFOF-UHFFFAOYSA-N -1 1 289.343 1.889 20 0 CDADMM O=C(CC1CCCCCC1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592820428 1173993735 /nfs/dbraw/zinc/99/37/35/1173993735.db2.gz VSOXFMOIEQJFOF-UHFFFAOYSA-N -1 1 289.343 1.889 20 0 CDADMM O=C(CCC1CCCC1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592830868 1173995550 /nfs/dbraw/zinc/99/55/50/1173995550.db2.gz SERZDLSOAUJQNF-UHFFFAOYSA-N -1 1 275.316 1.499 20 0 CDADMM O=C(CSC(F)F)OCc1ccc(-c2nnn[n-]2)o1 ZINC001592902142 1174001273 /nfs/dbraw/zinc/00/12/73/1174001273.db2.gz RWVMAWGXGHVEPN-UHFFFAOYSA-N -1 1 290.251 1.459 20 0 CDADMM O=C(CSC(F)F)OCc1ccc(-c2nn[n-]n2)o1 ZINC001592902142 1174001279 /nfs/dbraw/zinc/00/12/79/1174001279.db2.gz RWVMAWGXGHVEPN-UHFFFAOYSA-N -1 1 290.251 1.459 20 0 CDADMM O=C(N[C@@H]1CCSC1)c1csc(-c2nn[n-]n2)c1 ZINC001592996180 1174012224 /nfs/dbraw/zinc/01/22/24/1174012224.db2.gz MTNJIOATMMXXGJ-SSDOTTSWSA-N -1 1 281.366 1.164 20 0 CDADMM O=C(NC1CCSCC1)c1csc(-c2nn[n-]n2)c1 ZINC001592995203 1174012441 /nfs/dbraw/zinc/01/24/41/1174012441.db2.gz DXVVGUDHGILJTK-UHFFFAOYSA-N -1 1 295.393 1.554 20 0 CDADMM O=C(NCC1CCCCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593032462 1174016454 /nfs/dbraw/zinc/01/64/54/1174016454.db2.gz XRXQEPZPKCIYPC-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM O=C(NCC1CCCCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593032462 1174016461 /nfs/dbraw/zinc/01/64/61/1174016461.db2.gz XRXQEPZPKCIYPC-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM O=C(NCCCCC1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593066706 1174022250 /nfs/dbraw/zinc/02/22/50/1174022250.db2.gz OHYGFYVESCWOHM-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM O=C(NCCCCC1CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593066706 1174022257 /nfs/dbraw/zinc/02/22/57/1174022257.db2.gz OHYGFYVESCWOHM-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)NC1(C(F)F)CC1 ZINC001593243274 1174037374 /nfs/dbraw/zinc/03/73/74/1174037374.db2.gz BTSMMDHUEUCLJA-UHFFFAOYSA-N -1 1 295.253 1.181 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)NC1(C(F)F)CC1 ZINC001593243274 1174037380 /nfs/dbraw/zinc/03/73/80/1174037380.db2.gz BTSMMDHUEUCLJA-UHFFFAOYSA-N -1 1 295.253 1.181 20 0 CDADMM O=C(Nc1ccc[nH]c1=O)c1csc(-c2nn[n-]n2)c1 ZINC001593254363 1174039506 /nfs/dbraw/zinc/03/95/06/1174039506.db2.gz IXJYZVKNXALOLR-UHFFFAOYSA-N -1 1 288.292 1.281 20 0 CDADMM O=C(OC[C@@H]1CCSC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593286234 1174050627 /nfs/dbraw/zinc/05/06/27/1174050627.db2.gz FNZCQSCMSYKIRL-QMMMGPOBSA-N -1 1 291.336 1.172 20 0 CDADMM O=C(OC[C@H]1CC1(F)F)c1cccc(-c2nnn[n-]2)n1 ZINC001593285334 1174052217 /nfs/dbraw/zinc/05/22/17/1174052217.db2.gz SETILUPKRIQCKV-ZCFIWIBFSA-N -1 1 281.222 1.074 20 0 CDADMM O=C(OC[C@H]1CC1(F)F)c1cccc(-c2nn[n-]n2)n1 ZINC001593285334 1174052232 /nfs/dbraw/zinc/05/22/32/1174052232.db2.gz SETILUPKRIQCKV-ZCFIWIBFSA-N -1 1 281.222 1.074 20 0 CDADMM O=C(OCc1cnsc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593305466 1174059598 /nfs/dbraw/zinc/05/95/98/1174059598.db2.gz OXCWAGHXJDFWFG-UHFFFAOYSA-N -1 1 288.292 1.075 20 0 CDADMM O=C(OCc1cnsc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593305466 1174059604 /nfs/dbraw/zinc/05/96/04/1174059604.db2.gz OXCWAGHXJDFWFG-UHFFFAOYSA-N -1 1 288.292 1.075 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001593341441 1174069329 /nfs/dbraw/zinc/06/93/29/1174069329.db2.gz VLTQXBYRVPWOMM-NKWVEPMBSA-N -1 1 295.249 1.187 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001593341441 1174069337 /nfs/dbraw/zinc/06/93/37/1174069337.db2.gz VLTQXBYRVPWOMM-NKWVEPMBSA-N -1 1 295.249 1.187 20 0 CDADMM O=c1c(-c2nn[n-]n2)cncn1C[C@@H]1C[C@H]1c1ccccc1 ZINC001593493817 1174086885 /nfs/dbraw/zinc/08/68/85/1174086885.db2.gz FHYDQXNSLLWSQK-RYUDHWBXSA-N -1 1 294.318 1.227 20 0 CDADMM c1c(N[C@@H]2C[C@H]3CC[C@@H]2O3)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543364 1174112798 /nfs/dbraw/zinc/11/27/98/1174112798.db2.gz LKZFNGSQMJXFMZ-KKZNHRDASA-N -1 1 299.338 1.266 20 0 CDADMM c1c(N[C@@H]2C[C@H]3CC[C@@H]2O3)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543364 1174112805 /nfs/dbraw/zinc/11/28/05/1174112805.db2.gz LKZFNGSQMJXFMZ-KKZNHRDASA-N -1 1 299.338 1.266 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC1([C@H]2CCCO2)CCC1 ZINC001593551845 1174123359 /nfs/dbraw/zinc/12/33/59/1174123359.db2.gz SARMGAJJRYPFGP-SNVBAGLBSA-N -1 1 287.327 1.170 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC1([C@H]2CCCO2)CCC1 ZINC001593551845 1174123361 /nfs/dbraw/zinc/12/33/61/1174123361.db2.gz SARMGAJJRYPFGP-SNVBAGLBSA-N -1 1 287.327 1.170 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CN1CCO[C@@H](C2CCC2)C1 ZINC001593550860 1174124583 /nfs/dbraw/zinc/12/45/83/1174124583.db2.gz CURCZTAGPOFRIT-CYBMUJFWSA-N -1 1 289.339 1.461 20 0 CDADMM c1[nH]nc(NCc2cc3cnccc3o2)c1-c1nnn[n-]1 ZINC001593566959 1174140310 /nfs/dbraw/zinc/14/03/10/1174140310.db2.gz WXKCJSHYFYZELN-UHFFFAOYSA-N -1 1 282.267 1.343 20 0 CDADMM c1[nH]nc(NCc2cc3cnccc3o2)c1-c1nn[n-]n1 ZINC001593566959 1174140315 /nfs/dbraw/zinc/14/03/15/1174140315.db2.gz WXKCJSHYFYZELN-UHFFFAOYSA-N -1 1 282.267 1.343 20 0 CDADMM c1cc2c(c(Oc3cc(-c4nnn[n-]4)ncn3)c1)OCC2 ZINC001593565461 1174140473 /nfs/dbraw/zinc/14/04/73/1174140473.db2.gz FVVRZNQOYMFTGW-UHFFFAOYSA-N -1 1 282.263 1.384 20 0 CDADMM c1cc2c(c(Oc3cc(-c4nn[n-]n4)ncn3)c1)OCC2 ZINC001593565461 1174140477 /nfs/dbraw/zinc/14/04/77/1174140477.db2.gz FVVRZNQOYMFTGW-UHFFFAOYSA-N -1 1 282.263 1.384 20 0 CDADMM c1ccc(CCNc2ncncc2-c2nn[n-]n2)cc1 ZINC001593574904 1174145878 /nfs/dbraw/zinc/14/58/78/1174145878.db2.gz AXKHVKCWCMEUEW-UHFFFAOYSA-N -1 1 267.296 1.311 20 0 CDADMM c1cnc2c(c1)CCC[C@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC001593587096 1174153803 /nfs/dbraw/zinc/15/38/03/1174153803.db2.gz CSZZCFVEZDWJEC-SNVBAGLBSA-N -1 1 294.322 1.541 20 0 CDADMM c1cnc2c(c1)CCC[C@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC001593587096 1174153807 /nfs/dbraw/zinc/15/38/07/1174153807.db2.gz CSZZCFVEZDWJEC-SNVBAGLBSA-N -1 1 294.322 1.541 20 0 CDADMM c1coc(CCCNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001593589457 1174154547 /nfs/dbraw/zinc/15/45/47/1174154547.db2.gz XGHWTAVWZKGPIV-UHFFFAOYSA-N -1 1 271.284 1.294 20 0 CDADMM c1coc(CCCNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001593589457 1174154550 /nfs/dbraw/zinc/15/45/50/1174154550.db2.gz XGHWTAVWZKGPIV-UHFFFAOYSA-N -1 1 271.284 1.294 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CCC[C@H]3CCC[C@@H]32)n1 ZINC001593590103 1174157907 /nfs/dbraw/zinc/15/79/07/1174157907.db2.gz GGUZKISCGKXVPA-KOLCDFICSA-N -1 1 271.328 1.426 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CCC[C@H]3CCC[C@@H]32)n1 ZINC001593590103 1174157913 /nfs/dbraw/zinc/15/79/13/1174157913.db2.gz GGUZKISCGKXVPA-KOLCDFICSA-N -1 1 271.328 1.426 20 0 CDADMM c1nc(N[C@@H]2CC3CCC2CC3)cc(-c2nnn[n-]2)n1 ZINC001593591654 1174159010 /nfs/dbraw/zinc/15/90/10/1174159010.db2.gz SSQRQPAIDPUPMJ-UDNWOFFPSA-N -1 1 271.328 1.647 20 0 CDADMM c1nc(N[C@@H]2CC3CCC2CC3)cc(-c2nn[n-]n2)n1 ZINC001593591654 1174159012 /nfs/dbraw/zinc/15/90/12/1174159012.db2.gz SSQRQPAIDPUPMJ-UDNWOFFPSA-N -1 1 271.328 1.647 20 0 CDADMM c1nc(NC2C[C@H]3CC[C@@H](C2)S3)cc(-c2nnn[n-]2)n1 ZINC001593591076 1174161197 /nfs/dbraw/zinc/16/11/97/1174161197.db2.gz KHOHIFRLBMXQFO-CBLAIPOGSA-N -1 1 289.368 1.495 20 0 CDADMM c1nc(NC2C[C@H]3CC[C@@H](C2)S3)cc(-c2nn[n-]n2)n1 ZINC001593591076 1174161199 /nfs/dbraw/zinc/16/11/99/1174161199.db2.gz KHOHIFRLBMXQFO-CBLAIPOGSA-N -1 1 289.368 1.495 20 0 CDADMM CCc1[nH]c(CN2CC[C@@H](OCCOC)C2)cc1C(=O)[O-] ZINC001597385589 1174272289 /nfs/dbraw/zinc/27/22/89/1174272289.db2.gz VNDOBVRPYWORDG-GFCCVEGCSA-N -1 1 296.367 1.513 20 0 CDADMM Cc1cc(C(=O)[O-])oc1C(=O)Nc1ccc2[nH]nnc2c1 ZINC001600131808 1174373445 /nfs/dbraw/zinc/37/34/45/1174373445.db2.gz AYDGPIZDTFYFCM-UHFFFAOYSA-N -1 1 286.247 1.810 20 0 CDADMM Cc1cc(CN2CCCOC[C@@H]2C)[nH]c1C(=O)[O-] ZINC001600197193 1174402260 /nfs/dbraw/zinc/40/22/60/1174402260.db2.gz YKPUMWRZMJMBFY-JTQLQIEISA-N -1 1 252.314 1.632 20 0 CDADMM Cc1cc(CNC(=O)C=Cc2ccc(C(=O)[O-])o2)n[nH]1 ZINC001600198448 1174403817 /nfs/dbraw/zinc/40/38/17/1174403817.db2.gz KQDOFOBEDDAHLN-HYXAFXHYSA-N -1 1 275.264 1.339 20 0 CDADMM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)c1ncccc1O ZINC001600346400 1174449988 /nfs/dbraw/zinc/44/99/88/1174449988.db2.gz WFYQZQLMOSVIPE-UHFFFAOYSA-N -1 1 288.259 1.752 20 0 CDADMM Cc1cnc(C(=O)Nc2cc(C(=O)[O-])n(C)c2)c(O)c1 ZINC001600617173 1174530944 /nfs/dbraw/zinc/53/09/44/1174530944.db2.gz VXYYZLXQVXARTE-UHFFFAOYSA-N -1 1 275.264 1.385 20 0 CDADMM Cc1coc(CN[C@H](C[C@H]2CCCOC2)C(=O)[O-])c1 ZINC001600644413 1174549033 /nfs/dbraw/zinc/54/90/33/1174549033.db2.gz OTEZSNXYGGOVLY-DGCLKSJQSA-N -1 1 267.325 1.948 20 0 CDADMM Cc1nc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])n[nH]1 ZINC001600670251 1174557235 /nfs/dbraw/zinc/55/72/35/1174557235.db2.gz DNYAZGPQTXSEDI-ZANVPECISA-N -1 1 274.324 1.665 20 0 CDADMM Cc1nc(C)c(C[N@H+](CCC(=O)[O-])CC(=O)[O-])s1 ZINC001600692246 1174566039 /nfs/dbraw/zinc/56/60/39/1174566039.db2.gz JUJKHMSMBXMSAU-UHFFFAOYSA-N -1 1 272.326 1.121 20 0 CDADMM Cc1nc(C)c(C[N@@H+](CCC(=O)[O-])CC(=O)[O-])s1 ZINC001600692246 1174566046 /nfs/dbraw/zinc/56/60/46/1174566046.db2.gz JUJKHMSMBXMSAU-UHFFFAOYSA-N -1 1 272.326 1.121 20 0 CDADMM Cc1nnc([C@H](C)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)s1 ZINC001600792783 1174611748 /nfs/dbraw/zinc/61/17/48/1174611748.db2.gz BDDOQSVVAUNGKJ-UBJUHAIHSA-N -1 1 269.370 1.950 20 0 CDADMM Cn1cc(NC(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1C(=O)[O-] ZINC001600963450 1174682026 /nfs/dbraw/zinc/68/20/26/1174682026.db2.gz WAVZXWUDAYSMAD-AOOOYVTPSA-N -1 1 292.339 1.082 20 0 CDADMM Cn1ccc(CNCc2c3ccccc3[nH]c2C(=O)[O-])n1 ZINC001600975057 1174686894 /nfs/dbraw/zinc/68/68/94/1174686894.db2.gz LPXUEUFEFDKKEK-UHFFFAOYSA-N -1 1 284.319 1.889 20 0 CDADMM Cn1nncc1CNCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001601042758 1174712672 /nfs/dbraw/zinc/71/26/72/1174712672.db2.gz GHTBBPDRNXFTCU-UHFFFAOYSA-N -1 1 280.715 1.457 20 0 CDADMM O=C([O-])[C@@H](NC(=O)c1cc2[nH]cnc2cc1F)C1CC1 ZINC001601393419 1174854576 /nfs/dbraw/zinc/85/45/76/1174854576.db2.gz PFEYSXQFKIOXCT-NSHDSACASA-N -1 1 277.255 1.295 20 0 CDADMM O=C([O-])[C@H]1[C@H](CN2CC(CC(F)(F)F)C2)C1(F)F ZINC001601750282 1174984264 /nfs/dbraw/zinc/98/42/64/1174984264.db2.gz MNABBRCMXXTJIE-NKWVEPMBSA-N -1 1 273.201 1.837 20 0 CDADMM O=C([O-])[C@@H]1CCCC[C@@H]1CN1CCN(C2CC2)C(=O)C1 ZINC001601814636 1175018621 /nfs/dbraw/zinc/01/86/21/1175018621.db2.gz UVYBTYZHLSSPBQ-DGCLKSJQSA-N -1 1 280.368 1.184 20 0 CDADMM O=C([O-])CC1(NCc2cnsn2)CCCCC1 ZINC001601937677 1175074817 /nfs/dbraw/zinc/07/48/17/1175074817.db2.gz ZDNIJCMVYNCEPZ-UHFFFAOYSA-N -1 1 255.343 1.805 20 0 CDADMM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001602105519 1175131292 /nfs/dbraw/zinc/13/12/92/1175131292.db2.gz QLPCCGWCHPQXRH-JBLDHEPKSA-N -1 1 291.351 1.589 20 0 CDADMM O=C([O-])Cc1cccc(C(=O)Nc2ccc3[nH]nnc3c2)c1 ZINC001602134990 1175137878 /nfs/dbraw/zinc/13/78/78/1175137878.db2.gz QIESKCMGSSBJHR-UHFFFAOYSA-N -1 1 296.286 1.837 20 0 CDADMM O=C([O-])[C@@H](F)CNC[C@H](O)c1ccc(Cl)c(F)c1 ZINC001602168762 1175150216 /nfs/dbraw/zinc/15/02/16/1175150216.db2.gz BKNLKPMJZRCTFX-UWVGGRQHSA-N -1 1 279.670 1.525 20 0 CDADMM O=C([O-])[C@@H]1OCC[C@@H]1NCc1cnc(Cl)s1 ZINC001602203271 1175162675 /nfs/dbraw/zinc/16/26/75/1175162675.db2.gz ZOYZNAZYRUOUOF-NKWVEPMBSA-N -1 1 262.718 1.128 20 0 CDADMM O=C([O-])c1c[nH]c(CNCc2cncc(O)c2)c1C1CC1 ZINC001602234584 1175176043 /nfs/dbraw/zinc/17/60/43/1175176043.db2.gz PGXSCVCHCDPURN-UHFFFAOYSA-N -1 1 287.319 1.981 20 0 CDADMM O=C([O-])c1cc(-n2[nH]c([C@H]3CCOC3)cc2=O)ccc1F ZINC001602278302 1175192080 /nfs/dbraw/zinc/19/20/80/1175192080.db2.gz BKELPPPKRIVKIP-QMMMGPOBSA-N -1 1 292.266 1.653 20 0 CDADMM O=C([O-])c1ccc(CN2CCC[C@H]2c2nnc[nH]2)s1 ZINC001602337200 1175211317 /nfs/dbraw/zinc/21/13/17/1175211317.db2.gz VRDTWRVKJYOMMH-VIFPVBQESA-N -1 1 278.337 1.902 20 0 CDADMM O=C([O-])c1ccc(CN2CCC[C@H](O)C2)c(F)c1 ZINC001602337019 1175211497 /nfs/dbraw/zinc/21/14/97/1175211497.db2.gz HCXFNCUCWNDAJG-NSHDSACASA-N -1 1 253.273 1.481 20 0 CDADMM O=C([O-])c1ccc(NC(=O)C2CN([C@@H]3CCOC3)C2)cc1 ZINC001602373863 1175225810 /nfs/dbraw/zinc/22/58/10/1175225810.db2.gz UAHRWWBMOGDROK-CYBMUJFWSA-N -1 1 290.319 1.044 20 0 CDADMM O=C([O-])c1coc(CNC(=O)[C@@H]2CCc3[nH]cnc3C2)c1 ZINC001602552608 1175292023 /nfs/dbraw/zinc/29/20/23/1175292023.db2.gz AMZLKLXKMONCLC-MRVPVSSYSA-N -1 1 289.291 1.122 20 0 CDADMM C1=CO[C@@H](CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CC1 ZINC001602749354 1175385663 /nfs/dbraw/zinc/38/56/63/1175385663.db2.gz LNWXFBQSBRSVRT-SNVBAGLBSA-N -1 1 299.338 1.639 20 0 CDADMM C1=CO[C@@H](CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CC1 ZINC001602749354 1175385667 /nfs/dbraw/zinc/38/56/67/1175385667.db2.gz LNWXFBQSBRSVRT-SNVBAGLBSA-N -1 1 299.338 1.639 20 0 CDADMM C/C(=C/CNC(=O)CN(C)CCc1ccccc1)C(=O)[O-] ZINC001602967382 1175466101 /nfs/dbraw/zinc/46/61/01/1175466101.db2.gz IFFJPMWCSRFLDG-JYRVWZFOSA-N -1 1 290.363 1.308 20 0 CDADMM CC(C)(C)[C@H]1CCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001603066651 1175484884 /nfs/dbraw/zinc/48/48/84/1175484884.db2.gz UGGVNNBJIQFTAF-VHSXEESVSA-N -1 1 287.371 1.705 20 0 CDADMM C[C@H](C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)C1CC1 ZINC001603146266 1175500667 /nfs/dbraw/zinc/50/06/67/1175500667.db2.gz NXKAUBREJCBMSS-MNOVXSKESA-N -1 1 268.357 1.040 20 0 CDADMM CC(C)(O)CCSc1cccnc1-c1nnn[n-]1 ZINC001603171601 1175507788 /nfs/dbraw/zinc/50/77/88/1175507788.db2.gz RJNIUHRIQDKIRC-UHFFFAOYSA-N -1 1 265.342 1.515 20 0 CDADMM CC(C)(O)CCSc1cccnc1-c1nn[n-]n1 ZINC001603171601 1175507791 /nfs/dbraw/zinc/50/77/91/1175507791.db2.gz RJNIUHRIQDKIRC-UHFFFAOYSA-N -1 1 265.342 1.515 20 0 CDADMM CC(C)[C@]1(C)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001603238333 1175522390 /nfs/dbraw/zinc/52/23/90/1175522390.db2.gz MMXWOMSZTUULBG-CABZTGNLSA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)[C@]1(C)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001603238333 1175522393 /nfs/dbraw/zinc/52/23/93/1175522393.db2.gz MMXWOMSZTUULBG-CABZTGNLSA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)/C=C/C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001603251581 1175527057 /nfs/dbraw/zinc/52/70/57/1175527057.db2.gz HZADGLVHNSRANY-ONEGZZNKSA-N -1 1 279.325 1.579 20 0 CDADMM CC(C)/C=C/C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001603251581 1175527065 /nfs/dbraw/zinc/52/70/65/1175527065.db2.gz HZADGLVHNSRANY-ONEGZZNKSA-N -1 1 279.325 1.579 20 0 CDADMM CC(C)CC[C@H](O)COc1ccc(F)nc1-c1nn[n-]n1 ZINC001603278773 1175530218 /nfs/dbraw/zinc/53/02/18/1175530218.db2.gz WAAGMCQKVXAHIW-VIFPVBQESA-N -1 1 295.318 1.577 20 0 CDADMM CC(C)CCN(c1cc(-c2nnn[n-]2)ncn1)C1CC1 ZINC001603283456 1175532693 /nfs/dbraw/zinc/53/26/93/1175532693.db2.gz OTCQRNSNOQCXBS-UHFFFAOYSA-N -1 1 273.344 1.672 20 0 CDADMM CC(C)CCN(c1cc(-c2nn[n-]n2)ncn1)C1CC1 ZINC001603283456 1175532698 /nfs/dbraw/zinc/53/26/98/1175532698.db2.gz OTCQRNSNOQCXBS-UHFFFAOYSA-N -1 1 273.344 1.672 20 0 CDADMM CC(C)c1cc(Oc2cccnc2-c2nnn[n-]2)ncn1 ZINC001603395446 1175552267 /nfs/dbraw/zinc/55/22/67/1175552267.db2.gz NTPBNOCCQWPITF-UHFFFAOYSA-N -1 1 283.295 1.967 20 0 CDADMM CC(C)c1cc(Oc2cccnc2-c2nn[n-]n2)ncn1 ZINC001603395446 1175552272 /nfs/dbraw/zinc/55/22/72/1175552272.db2.gz NTPBNOCCQWPITF-UHFFFAOYSA-N -1 1 283.295 1.967 20 0 CDADMM CC(C)n1ccc(NCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001603431281 1175552828 /nfs/dbraw/zinc/55/28/28/1175552828.db2.gz KXULSJYKZNLERA-UHFFFAOYSA-N -1 1 284.327 1.651 20 0 CDADMM CC(C)n1ccc(NCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001603431281 1175552833 /nfs/dbraw/zinc/55/28/33/1175552833.db2.gz KXULSJYKZNLERA-UHFFFAOYSA-N -1 1 284.327 1.651 20 0 CDADMM C[C@H](O)C[C@H](C)CNc1cccnc1-c1nnn[n-]1 ZINC001603696126 1175601083 /nfs/dbraw/zinc/60/10/83/1175601083.db2.gz QLXGQQDJYIPYPX-IUCAKERBSA-N -1 1 262.317 1.081 20 0 CDADMM C[C@H](O)C[C@H](C)CNc1cccnc1-c1nn[n-]n1 ZINC001603696126 1175601086 /nfs/dbraw/zinc/60/10/86/1175601086.db2.gz QLXGQQDJYIPYPX-IUCAKERBSA-N -1 1 262.317 1.081 20 0 CDADMM CC1(C)CCCC[C@@H]1Cn1cnc(-c2nn[n-]n2)n1 ZINC001603777728 1175629173 /nfs/dbraw/zinc/62/91/73/1175629173.db2.gz NLKDXJXYPRXCJL-SECBINFHSA-N -1 1 261.333 1.675 20 0 CDADMM C[C@H]1CC(F)(F)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001603857174 1175654680 /nfs/dbraw/zinc/65/46/80/1175654680.db2.gz WVTQLCNORWVXLF-ZETCQYMHSA-N -1 1 281.270 1.281 20 0 CDADMM C[C@H]1CC(F)(F)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001603857174 1175654682 /nfs/dbraw/zinc/65/46/82/1175654682.db2.gz WVTQLCNORWVXLF-ZETCQYMHSA-N -1 1 281.270 1.281 20 0 CDADMM C[C@@H]1C[C@@H]1CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001603870296 1175662917 /nfs/dbraw/zinc/66/29/17/1175662917.db2.gz GUSOREVVAUHGIA-HTRCEHHLSA-N -1 1 293.277 1.531 20 0 CDADMM C[C@@H]1C[C@@H]1CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001603870296 1175662922 /nfs/dbraw/zinc/66/29/22/1175662922.db2.gz GUSOREVVAUHGIA-HTRCEHHLSA-N -1 1 293.277 1.531 20 0 CDADMM CC(C)N(CCC(=O)[O-])Cc1cn(CC2CC2)nn1 ZINC001603879561 1175665620 /nfs/dbraw/zinc/66/56/20/1175665620.db2.gz KDYOZZLAMNKBNP-UHFFFAOYSA-N -1 1 266.345 1.373 20 0 CDADMM CC(C)N1CCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])c[nH]c1=O ZINC001603894392 1175675647 /nfs/dbraw/zinc/67/56/47/1175675647.db2.gz GJNYYBNZJHMSHZ-LLVKDONJSA-N -1 1 293.323 1.297 20 0 CDADMM C[C@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)CC[C@@H]1C ZINC001603903899 1175679573 /nfs/dbraw/zinc/67/95/73/1175679573.db2.gz UMJPDEJOROPWHI-UWVGGRQHSA-N -1 1 286.339 1.380 20 0 CDADMM C[C@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)CC[C@@H]1C ZINC001603903899 1175679576 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CC[C@H](C)OCC(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774982231 575258672 /nfs/dbraw/zinc/25/86/72/575258672.db2.gz RNJBGALZXHWIPD-QMMMGPOBSA-N -1 1 285.262 1.413 20 0 CDADMM CO[C@@H](C)CC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000750153405 574581264 /nfs/dbraw/zinc/58/12/64/574581264.db2.gz HUFFRLNPKCPGAI-VIFPVBQESA-N -1 1 292.287 1.967 20 0 CDADMM O=C([O-])[C@H]1CCCN(Cc2cc(F)cc3c2OCOC3)C1 ZINC000738538440 574672251 /nfs/dbraw/zinc/67/22/51/574672251.db2.gz QZOXQFQKGZXQCF-JTQLQIEISA-N -1 1 295.310 1.989 20 0 CDADMM CC(C)(C)CCCCNC(=O)CCn1cc[n-]c(=O)c1=O ZINC000729538782 574814981 /nfs/dbraw/zinc/81/49/81/574814981.db2.gz UGXWXQUFAHUAKN-UHFFFAOYSA-N -1 1 295.383 1.259 20 0 CDADMM CC(C)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735708116 575501914 /nfs/dbraw/zinc/50/19/14/575501914.db2.gz JYYOIHPGLXFZRY-MRVPVSSYSA-N -1 1 260.301 1.036 20 0 CDADMM CC(C)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735708116 575501915 /nfs/dbraw/zinc/50/19/15/575501915.db2.gz JYYOIHPGLXFZRY-MRVPVSSYSA-N -1 1 260.301 1.036 20 0 CDADMM O=C([O-])[C@@H](c1ccsc1)N1CCO[C@@]2(CCOC2)C1 ZINC001601697240 1174950615 /nfs/dbraw/zinc/95/06/15/1174950615.db2.gz MTRDTMQKRLNUEV-YPMHNXCESA-N -1 1 283.349 1.365 20 0 CDADMM CSC[C@@H](C)C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000731385896 575046559 /nfs/dbraw/zinc/04/65/59/575046559.db2.gz STWXTHMPHRFUBF-SNVBAGLBSA-N -1 1 295.360 1.485 20 0 CDADMM CC(C)N(CCC(=O)[O-])CC(=O)N(C)c1nccs1 ZINC000736466451 575670936 /nfs/dbraw/zinc/67/09/36/575670936.db2.gz XRQKFLCZQOBQRF-UHFFFAOYSA-N -1 1 285.369 1.291 20 0 CDADMM CC(C)(C)c1ccc(C=CC(=O)NCc2nn[n-]n2)cc1 ZINC000731888246 575069590 /nfs/dbraw/zinc/06/95/90/575069590.db2.gz RSEYNQOKSOWJIU-RMKNXTFCSA-N -1 1 285.351 1.827 20 0 CDADMM C[C@H]1CCCC[C@H]1CC(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765463291 575090229 /nfs/dbraw/zinc/09/02/29/575090229.db2.gz UNHPEQPJYRISAF-UWVGGRQHSA-N -1 1 267.329 1.368 20 0 CDADMM CCC(CC)(CC)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000741714627 576568776 /nfs/dbraw/zinc/56/87/76/576568776.db2.gz RQHMWQZHUSXUKF-UHFFFAOYSA-N -1 1 281.356 1.012 20 0 CDADMM CSc1ccsc1C(=O)[N-]N1CCCC1=O ZINC000770542968 575463151 /nfs/dbraw/zinc/46/31/51/575463151.db2.gz JSQSQOARFJODJQ-UHFFFAOYSA-N -1 1 256.352 1.737 20 0 CDADMM [O-]c1ccc(-c2noc(-c3cccc[n+]3[O-])n2)cc1F ZINC000771221079 575559339 /nfs/dbraw/zinc/55/93/39/575559339.db2.gz BJMRKVRKMGFROS-UHFFFAOYSA-N -1 1 273.223 1.882 20 0 CDADMM CC[C@H](CC(=O)N1CCC(c2nn[n-]n2)CC1)C(C)C ZINC000736331831 575624352 /nfs/dbraw/zinc/62/43/52/575624352.db2.gz LXCXXOFAEGGKGD-LLVKDONJSA-N -1 1 279.388 1.978 20 0 CDADMM CC/C=C/COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736410770 575653302 /nfs/dbraw/zinc/65/33/02/575653302.db2.gz LOYVYRPZHBUHQI-ONEGZZNKSA-N -1 1 259.269 1.385 20 0 CDADMM CC/C=C/COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736410770 575653321 /nfs/dbraw/zinc/65/33/21/575653321.db2.gz LOYVYRPZHBUHQI-ONEGZZNKSA-N -1 1 259.269 1.385 20 0 CDADMM CCOCCO[N-]C(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC000772701089 575738502 /nfs/dbraw/zinc/73/85/02/575738502.db2.gz RTXOZODFLUPWTG-LBPRGKRZSA-N -1 1 279.292 1.373 20 0 CDADMM C[C@H]1CCN(CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C1 ZINC000736798529 575750408 /nfs/dbraw/zinc/75/04/08/575750408.db2.gz YBZJZVUGBGFOBR-JSGCOSHPSA-N -1 1 290.363 1.140 20 0 CDADMM CC[C@H](C)[C@H](NC(=O)CN1[C@H](C)CCC[C@H]1C)C(=O)[O-] ZINC000736876965 575767548 /nfs/dbraw/zinc/76/75/48/575767548.db2.gz JAOQXTWQSYWMPC-SFTQSGBHSA-N -1 1 284.400 1.865 20 0 CDADMM COCCCCCOC(=O)c1sccc1-c1nn[n-]n1 ZINC000736979674 575782227 /nfs/dbraw/zinc/78/22/27/575782227.db2.gz UEWQYQFWXBJACS-UHFFFAOYSA-N -1 1 296.352 1.902 20 0 CDADMM CCCC[C@H](C(=O)OC)N1CCC[C@H](C(=O)[O-])C1 ZINC000736980473 575782832 /nfs/dbraw/zinc/78/28/32/575782832.db2.gz UYDQZWRVMLBCTG-WDEREUQCSA-N -1 1 257.330 1.515 20 0 CDADMM O=C(c1cccc(F)c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773164775 575787865 /nfs/dbraw/zinc/78/78/65/575787865.db2.gz VCOFTVPZLSVMKW-SNVBAGLBSA-N -1 1 293.327 1.269 20 0 CDADMM O=C(OC[C@H]1COC(=O)O1)c1ccc([O-])cc1F ZINC000773566840 575826925 /nfs/dbraw/zinc/82/69/25/575826925.db2.gz HTFQRGUPXRJNPL-ZETCQYMHSA-N -1 1 256.185 1.224 20 0 CDADMM CC(C)CNC(=O)[C@@H](C)OC(=O)c1ccc([O-])cc1F ZINC000773580909 575827586 /nfs/dbraw/zinc/82/75/86/575827586.db2.gz JVXAGMRKYCQBLS-SECBINFHSA-N -1 1 283.299 1.849 20 0 CDADMM Cc1cc(C)cc(Cn2cccc(-c3nn[n-]n3)c2=O)c1 ZINC000737251465 575910612 /nfs/dbraw/zinc/91/06/12/575910612.db2.gz SHASMIMCRODLQV-UHFFFAOYSA-N -1 1 281.319 1.694 20 0 CDADMM CC1(C)OCC(NC(=O)c2c([O-])cccc2Cl)CO1 ZINC000756702964 575921939 /nfs/dbraw/zinc/92/19/39/575921939.db2.gz AAKYOPHUGUAXEU-UHFFFAOYSA-N -1 1 285.727 1.927 20 0 CDADMM Cc1cc(Cn2cccc(-c3nn[n-]n3)c2=O)c(C)s1 ZINC000737265135 575922880 /nfs/dbraw/zinc/92/28/80/575922880.db2.gz XUPGRDCXQMCFPG-UHFFFAOYSA-N -1 1 287.348 1.755 20 0 CDADMM CN(C(=O)c1cccc2n[nH]cc21)C(C)(C)C(=O)[O-] ZINC000737341251 575943693 /nfs/dbraw/zinc/94/36/93/575943693.db2.gz PRWKWZJQSVOXPE-UHFFFAOYSA-N -1 1 261.281 1.498 20 0 CDADMM CN(Cc1nc2ccccc2s1)C[C@@](C)(O)C(=O)[O-] ZINC000737496858 575975937 /nfs/dbraw/zinc/97/59/37/575975937.db2.gz POOTUHCKMHWJAI-CYBMUJFWSA-N -1 1 280.349 1.564 20 0 CDADMM CNC(=O)C1(NCc2ccoc2C(=O)[O-])CCCC1 ZINC000737534448 575986839 /nfs/dbraw/zinc/98/68/39/575986839.db2.gz FITGEQMKOOZXOE-UHFFFAOYSA-N -1 1 266.297 1.126 20 0 CDADMM Cn1[n-]c(COC(=O)c2ccc3ncsc3c2)nc1=O ZINC000765375261 576012769 /nfs/dbraw/zinc/01/27/69/576012769.db2.gz AIBMPVJXNFLCSP-UHFFFAOYSA-N -1 1 290.304 1.075 20 0 CDADMM C[C@H](Cc1ccccc1F)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765480867 576028432 /nfs/dbraw/zinc/02/84/32/576028432.db2.gz QRMABYJADZTEAT-SECBINFHSA-N -1 1 293.298 1.170 20 0 CDADMM CC(C(=O)OCc1nc(=O)n(C)[n-]1)=C1CCCC1 ZINC000765496493 576030874 /nfs/dbraw/zinc/03/08/74/576030874.db2.gz PKTORPZXPWHMEB-UHFFFAOYSA-N -1 1 251.286 1.042 20 0 CDADMM Cn1[n-]c(COC(=O)CCc2ccc(F)cc2F)nc1=O ZINC000765500120 576031175 /nfs/dbraw/zinc/03/11/75/576031175.db2.gz BYVAECCENPWOTJ-UHFFFAOYSA-N -1 1 297.261 1.063 20 0 CDADMM Cc1n[nH]c(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1C ZINC000738166208 576045860 /nfs/dbraw/zinc/04/58/60/576045860.db2.gz CTQQCGZCKQTUSC-LBPRGKRZSA-N -1 1 287.319 1.972 20 0 CDADMM O=C(c1ccccc1Cl)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000738278460 576055887 /nfs/dbraw/zinc/05/58/87/576055887.db2.gz LDTJKVQLUWPVCT-SNVBAGLBSA-N -1 1 293.714 1.067 20 0 CDADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(C)CC(C)(C)O ZINC000738526805 576086591 /nfs/dbraw/zinc/08/65/91/576086591.db2.gz UOOWDSPAZOIEEC-UHFFFAOYSA-N -1 1 294.351 1.334 20 0 CDADMM O=C([O-])N1CCC[C@H](NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC000739387244 576223049 /nfs/dbraw/zinc/22/30/49/576223049.db2.gz MCECCYPPNVGBSP-VIFPVBQESA-N -1 1 292.339 1.161 20 0 CDADMM CC(=O)Nc1ccc([O-])c(C(=O)NOCC(F)(F)F)c1 ZINC000768291052 576268716 /nfs/dbraw/zinc/26/87/16/576268716.db2.gz DMLMNLPYZKBRNI-UHFFFAOYSA-N -1 1 292.213 1.574 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CCCC2(C1)OCCO2 ZINC000768297893 576269144 /nfs/dbraw/zinc/26/91/44/576269144.db2.gz ZMWCVODVKJFKCQ-UHFFFAOYSA-N -1 1 281.283 1.510 20 0 CDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)C(C)(C)F)cc1 ZINC000768636536 576301155 /nfs/dbraw/zinc/30/11/55/576301155.db2.gz CXCBHHLVABLUCI-UHFFFAOYSA-N -1 1 297.282 1.243 20 0 CDADMM O=C(COC(=O)[C@@H]1CC12CCC2)[N-]C(=O)c1ccccc1 ZINC000759982972 576450618 /nfs/dbraw/zinc/45/06/18/576450618.db2.gz OVEILNDODRYEOR-LBPRGKRZSA-N -1 1 287.315 1.676 20 0 CDADMM CN(C[C@@H](O)C1CC1)C(=O)c1c([O-])cccc1Cl ZINC000760806335 576511802 /nfs/dbraw/zinc/51/18/02/576511802.db2.gz HPUZGXARDTUIBU-LLVKDONJSA-N -1 1 269.728 1.889 20 0 CDADMM O=C(NN1CC(=O)[N-]C1=O)c1ccc2sccc2c1 ZINC000760983425 576532410 /nfs/dbraw/zinc/53/24/10/576532410.db2.gz FQHMHQFXVWPYQG-UHFFFAOYSA-N -1 1 275.289 1.098 20 0 CDADMM CC/C=C\COC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000761076041 576542546 /nfs/dbraw/zinc/54/25/46/576542546.db2.gz VJJZKNNXHKZGSY-PLNGDYQASA-N -1 1 273.310 1.311 20 0 CDADMM O=C(C[N-]C(=O)C(F)(F)C(F)F)NC1CCCC1 ZINC000749364451 576944806 /nfs/dbraw/zinc/94/48/06/576944806.db2.gz NQCIZFHAPAXYTL-UHFFFAOYSA-N -1 1 270.226 1.062 20 0 CDADMM Cc1nonc1[N-]C(=O)c1cnn(-c2ccccc2)n1 ZINC000750552644 576995249 /nfs/dbraw/zinc/99/52/49/576995249.db2.gz YHBZIFKJGWSPJV-UHFFFAOYSA-N -1 1 270.252 1.211 20 0 CDADMM Cc1noc([C@@H](C)[N-]C(=O)C(F)(F)c2nccs2)n1 ZINC000756677755 576999760 /nfs/dbraw/zinc/99/97/60/576999760.db2.gz KUKIYEHALFOQRT-RXMQYKEDSA-N -1 1 288.279 1.804 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)C[S@@](C)=O ZINC000753150113 577149401 /nfs/dbraw/zinc/14/94/01/577149401.db2.gz AEQMACBFRWFHIU-FFVOIRBGSA-N -1 1 299.396 1.111 20 0 CDADMM CSCc1noc(CCC(=O)[N-]OCC(F)F)n1 ZINC000759325846 577168752 /nfs/dbraw/zinc/16/87/52/577168752.db2.gz XTJVMEVZVMFXBS-UHFFFAOYSA-N -1 1 281.284 1.178 20 0 CDADMM O=C([O-])[C@H]1CCCC[C@@H]1CN1CCc2c[nH]nc2C1 ZINC001601812750 1175019596 /nfs/dbraw/zinc/01/95/96/1175019596.db2.gz JCHWWWLAJZUQGJ-NEPJUHHUSA-N -1 1 263.341 1.659 20 0 CDADMM O=C([O-])CC(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC001601887888 1175051813 /nfs/dbraw/zinc/05/18/13/1175051813.db2.gz DLVPZKICNVEGFQ-UHFFFAOYSA-N -1 1 264.216 1.024 20 0 CDADMM O=C([O-])C[C@@H]1CSCCN1C(=O)c1cnc(C2CC2)[nH]1 ZINC001601968078 1175090883 /nfs/dbraw/zinc/09/08/83/1175090883.db2.gz YGYYAZALLRNYDU-SECBINFHSA-N -1 1 295.364 1.319 20 0 CDADMM O=C([O-])CCC[C@@H]1CCC[C@H]([NH2+]Cc2cnn[n-]2)C1 ZINC001601980699 1175095258 /nfs/dbraw/zinc/09/52/58/1175095258.db2.gz BATWOHCQACQCOO-QWRGUYRKSA-N -1 1 266.345 1.708 20 0 CDADMM O=C([O-])CCCN1CCCC[C@H]1C(=O)NCC(F)F ZINC001601990977 1175101475 /nfs/dbraw/zinc/10/14/75/1175101475.db2.gz FPHKTSHGNCUEDA-VIFPVBQESA-N -1 1 278.299 1.087 20 0 CDADMM O=C([O-])CC[N@H+](CC(=O)[O-])C[C@@H]1C[C@H]1c1ccccc1 ZINC001602005291 1175107883 /nfs/dbraw/zinc/10/78/83/1175107883.db2.gz ZPDCISIRONKJKV-STQMWFEESA-N -1 1 277.320 1.651 20 0 CDADMM O=C([O-])[C@H]1CCN(CN2C(=O)C[C@H]2c2ccccc2)C1 ZINC000819287416 596898672 /nfs/dbraw/zinc/89/86/72/596898672.db2.gz VCHIAWMVIHXVIR-STQMWFEESA-N -1 1 274.320 1.324 20 0 CDADMM CCN(C(=O)CN(C)CCC(=O)[O-])C1CCCCC1 ZINC000037933024 596995766 /nfs/dbraw/zinc/99/57/66/596995766.db2.gz HRVXRDFSBCHALE-UHFFFAOYSA-N -1 1 270.373 1.574 20 0 CDADMM CCC[C@H]1CC(=O)N(CN2CCC[C@H](CC(=O)[O-])C2)C1 ZINC000818161973 597047733 /nfs/dbraw/zinc/04/77/33/597047733.db2.gz MAAUETYHQCRQGO-QWHCGFSZSA-N -1 1 282.384 1.779 20 0 CDADMM C[C@H](CC(=O)[O-])N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000818004379 597047122 /nfs/dbraw/zinc/04/71/22/597047122.db2.gz OIYBHGAEIOXYRQ-MNOVXSKESA-N -1 1 274.324 1.781 20 0 CDADMM C[C@H](C(=O)[O-])N(C)C(=O)c1c[nH]c2ccccc2c1=O ZINC000054052179 597466237 /nfs/dbraw/zinc/46/62/37/597466237.db2.gz AWWOTHAGPWNSSO-MRVPVSSYSA-N -1 1 274.276 1.073 20 0 CDADMM CCN(CC)Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)o1 ZINC000062118257 597497155 /nfs/dbraw/zinc/49/71/55/597497155.db2.gz ZUGJFHFQWKZOOQ-NSHDSACASA-N -1 1 294.351 1.668 20 0 CDADMM O=C([O-])CCCNCc1ncc(Br)s1 ZINC000713651444 597718966 /nfs/dbraw/zinc/71/89/66/597718966.db2.gz WLIUBSLICZDWQN-UHFFFAOYSA-N -1 1 279.159 1.860 20 0 CDADMM O=C([O-])CNC(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000821534304 597746113 /nfs/dbraw/zinc/74/61/13/597746113.db2.gz KHIOQVACKZXUNO-UHFFFAOYSA-N -1 1 299.739 1.509 20 0 CDADMM O=C([O-])CNC(=O)CNC1(c2ccc(Cl)cc2)CCC1 ZINC000821531625 597795554 /nfs/dbraw/zinc/79/55/54/597795554.db2.gz UPEFXFNMPYYJHR-UHFFFAOYSA-N -1 1 296.754 1.510 20 0 CDADMM C[C@@H]1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC000095254508 598335584 /nfs/dbraw/zinc/33/55/84/598335584.db2.gz PWKKSUFWHOWHTE-BBBLOLIVSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC000095254508 598335586 /nfs/dbraw/zinc/33/55/86/598335586.db2.gz PWKKSUFWHOWHTE-BBBLOLIVSA-N -1 1 273.344 1.893 20 0 CDADMM CN(Cc1ccc(F)cc1)c1nccnc1-c1nnn[n-]1 ZINC000095294696 598337342 /nfs/dbraw/zinc/33/73/42/598337342.db2.gz JEJKDBMRGZDNQX-UHFFFAOYSA-N -1 1 285.286 1.432 20 0 CDADMM CN(Cc1ccc(F)cc1)c1nccnc1-c1nn[n-]n1 ZINC000095294696 598337343 /nfs/dbraw/zinc/33/73/43/598337343.db2.gz JEJKDBMRGZDNQX-UHFFFAOYSA-N -1 1 285.286 1.432 20 0 CDADMM CC[C@H](C)[C@H](NC(=O)CN1CCC[C@H](C)C1)C(=O)[O-] ZINC000036100549 599959252 /nfs/dbraw/zinc/95/92/52/599959252.db2.gz KOHZVLYZNZAIEO-GVXVVHGQSA-N -1 1 270.373 1.334 20 0 CDADMM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000225468743 600060806 /nfs/dbraw/zinc/06/08/06/600060806.db2.gz ULCLXCGVJNCUSZ-UTUOFQBUSA-N -1 1 292.335 1.253 20 0 CDADMM O=C([O-])[C@H]1CN(C(=O)c2ncccc2O)c2ccccc21 ZINC000131987170 600364898 /nfs/dbraw/zinc/36/48/98/600364898.db2.gz FBMPVLSIHSWGGT-JTQLQIEISA-N -1 1 284.271 1.616 20 0 CDADMM C[C@H](CN(C)CC(=O)Nc1c(F)cccc1F)C(=O)[O-] ZINC000042706116 600368835 /nfs/dbraw/zinc/36/88/35/600368835.db2.gz GWUPDRMMBGCJSO-MRVPVSSYSA-N -1 1 286.278 1.556 20 0 CDADMM CCS[C@@H]1CC[C@H](N(C)Cn2cc(C(=O)[O-])nn2)C1 ZINC000830149151 600717946 /nfs/dbraw/zinc/71/79/46/600717946.db2.gz DXGHCGOGDARIHO-VHSXEESVSA-N -1 1 284.385 1.540 20 0 CDADMM COCCCn1c(=O)[nH]nc1SC/C=C(\C)C(=O)[O-] ZINC000831705555 600726906 /nfs/dbraw/zinc/72/69/06/600726906.db2.gz RRJCJQRYSDHQAZ-XBXARRHUSA-N -1 1 287.341 1.143 20 0 CDADMM Cc1ccc(S(=O)(=O)Nc2ccccn2)cc1C(=O)[O-] ZINC000019993662 600829146 /nfs/dbraw/zinc/82/91/46/600829146.db2.gz DYQQKTFZTKIVSB-UHFFFAOYSA-N -1 1 292.316 1.889 20 0 CDADMM CN(CC(=O)N(CC(=O)[O-])c1ccccc1)C1CCC1 ZINC000830660662 600837504 /nfs/dbraw/zinc/83/75/04/600837504.db2.gz APLQESWPYGLADV-UHFFFAOYSA-N -1 1 276.336 1.589 20 0 CDADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1ccn[nH]1 ZINC000219103789 600896081 /nfs/dbraw/zinc/89/60/81/600896081.db2.gz XGLQLFGPVWZPNJ-USWWRNFRSA-N -1 1 277.324 1.197 20 0 CDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H](C)C(F)(F)F)CC1 ZINC000827357348 601099579 /nfs/dbraw/zinc/09/95/79/601099579.db2.gz WTNXZFZBKWRAEQ-RKDXNWHRSA-N -1 1 296.289 1.192 20 0 CDADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000828245887 601172113 /nfs/dbraw/zinc/17/21/13/601172113.db2.gz OQEBYIFSURDIRO-AXAPSJFSSA-N -1 1 296.411 1.866 20 0 CDADMM C[C@@]1(O)CCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000828110754 601182972 /nfs/dbraw/zinc/18/29/72/601182972.db2.gz SUKKSSYLELVFBU-CQSZACIVSA-N -1 1 299.754 1.874 20 0 CDADMM CN(Cc1cn[nH]c1)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000830865162 601388693 /nfs/dbraw/zinc/38/86/93/601388693.db2.gz JZTJXQLSOAIDBR-LBPRGKRZSA-N -1 1 263.272 1.807 20 0 CDADMM C[C@H]1CN(CC(=O)Nc2ccsc2C(=O)[O-])C[C@H]1C ZINC000828439783 601428903 /nfs/dbraw/zinc/42/89/03/601428903.db2.gz JRXHZINHCXTKNT-DTORHVGOSA-N -1 1 282.365 1.973 20 0 CDADMM O=C([O-])[C@]1(F)CCN(Cc2cc3ccccc3[nH]c2=O)C1 ZINC000833176474 601445918 /nfs/dbraw/zinc/44/59/18/601445918.db2.gz ZHIOPESKWUTBLY-HNNXBMFYSA-N -1 1 290.294 1.939 20 0 CDADMM COC[C@](C)(CC(=O)[O-])NCc1cn2c(cccc2C)n1 ZINC000831586157 601490041 /nfs/dbraw/zinc/49/00/41/601490041.db2.gz UMZWXGVZROUZIL-HNNXBMFYSA-N -1 1 291.351 1.612 20 0 CDADMM C[C@@H]1CN(CC(=O)Nc2cc(F)cc(F)c2)C[C@H]1C(=O)[O-] ZINC000235343997 601523633 /nfs/dbraw/zinc/52/36/33/601523633.db2.gz KNGKDZJIJCWGIZ-PRHODGIISA-N -1 1 298.289 1.556 20 0 CDADMM Cc1ccccc1NC(=O)CN1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000223822776 601526235 /nfs/dbraw/zinc/52/62/35/601526235.db2.gz KTADMIAQFQSSST-RYUDHWBXSA-N -1 1 276.336 1.586 20 0 CDADMM Cc1ccc(NC(=O)CN2C[C@H](C)[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000223836678 601537370 /nfs/dbraw/zinc/53/73/70/601537370.db2.gz QOEOPTBORODHBJ-STQMWFEESA-N -1 1 290.363 1.894 20 0 CDADMM Cc1cc(CC(=O)Nc2cccc(C(=O)[O-])c2)n[nH]1 ZINC000832882757 601637450 /nfs/dbraw/zinc/63/74/50/601637450.db2.gz BKQKAWOGQQTFLI-UHFFFAOYSA-N -1 1 259.265 1.598 20 0 CDADMM Cc1nnc(SCCC(=O)N2CCCC[C@@H]2C(=O)[O-])[nH]1 ZINC000821225256 601743508 /nfs/dbraw/zinc/74/35/08/601743508.db2.gz ZRTKNONIVOKBCC-SECBINFHSA-N -1 1 298.368 1.061 20 0 CDADMM C[C@@H]1CN(CN2C(=O)C[C@@H]2c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828448945 601813662 /nfs/dbraw/zinc/81/36/62/601813662.db2.gz HGMSUAIYQXMFCS-KWCYVHTRSA-N -1 1 288.347 1.570 20 0 CDADMM O=C([O-])CCC1CCN(CC(=O)NCc2ccco2)CC1 ZINC000050926358 601842617 /nfs/dbraw/zinc/84/26/17/601842617.db2.gz GSZRTXSDWJFMLT-UHFFFAOYSA-N -1 1 294.351 1.473 20 0 CDADMM CC[C@@H](C)[C@@H](NCC(=O)N(C)C1CCCCC1)C(=O)[O-] ZINC000828735572 601879825 /nfs/dbraw/zinc/87/98/25/601879825.db2.gz CEJGRQSZHDDVBR-BXUZGUMPSA-N -1 1 284.400 1.866 20 0 CDADMM C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000062936065 601921534 /nfs/dbraw/zinc/92/15/34/601921534.db2.gz KVWKSMDVNRNSDB-CYBMUJFWSA-N -1 1 293.348 1.694 20 0 CDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)C(F)=C2CCCC2)CC1 ZINC000827354093 601943012 /nfs/dbraw/zinc/94/30/12/601943012.db2.gz BQFCNEFPXXFAAN-NSHDSACASA-N -1 1 298.358 1.791 20 0 CDADMM O=C([O-])c1cccc(OC(=O)CCc2nc[nH]n2)c1 ZINC000833104139 601973256 /nfs/dbraw/zinc/97/32/56/601973256.db2.gz ACKWJHZWPZRSPL-UHFFFAOYSA-N -1 1 261.237 1.041 20 0 CDADMM C/C(=C\CN1CC[C@@H](NC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC000825734007 602018208 /nfs/dbraw/zinc/01/82/08/602018208.db2.gz HHARAOCFOSQQPZ-IGLBNKAOSA-N -1 1 284.356 1.616 20 0 CDADMM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000828776783 602020314 /nfs/dbraw/zinc/02/03/14/602020314.db2.gz RZESWYDHQVNULZ-SNVBAGLBSA-N -1 1 293.367 1.979 20 0 CDADMM C[C@@H](CC(=O)[O-])C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000827304082 602178105 /nfs/dbraw/zinc/17/81/05/602178105.db2.gz OQIZUNFMISCJPM-ZETCQYMHSA-N -1 1 279.271 1.429 20 0 CDADMM C[C@H](CC(=O)[O-])C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000827292474 602184646 /nfs/dbraw/zinc/18/46/46/602184646.db2.gz RKXJRCDYYXLNKE-LLVKDONJSA-N -1 1 296.342 1.485 20 0 CDADMM CC[C@H](C(=O)Nc1nc(CC(=O)[O-])cs1)N(C)C ZINC000828587611 602195137 /nfs/dbraw/zinc/19/51/37/602195137.db2.gz VIMQINPSDHDSEM-MRVPVSSYSA-N -1 1 271.342 1.049 20 0 CDADMM Cc1cc(CNC(=O)c2ccc(C(=O)[O-])c(F)c2)n[nH]1 ZINC000832882851 604274868 /nfs/dbraw/zinc/27/48/68/604274868.db2.gz MSWGQVOYXWPAKI-UHFFFAOYSA-N -1 1 277.255 1.485 20 0 CDADMM CN(C(=O)c1ccn[nH]1)C1(C(=O)[O-])CCCCC1 ZINC000311089658 604866551 /nfs/dbraw/zinc/86/65/51/604866551.db2.gz PJNSDCVMVVZJNN-UHFFFAOYSA-N -1 1 251.286 1.269 20 0 CDADMM CC(C)(C)[C@H](NCC(=O)Nc1ccc(O)cc1)C(=O)[O-] ZINC000833422515 604960185 /nfs/dbraw/zinc/96/01/85/604960185.db2.gz FHVOVNUZFOOJPL-GFCCVEGCSA-N -1 1 280.324 1.420 20 0 CDADMM C[C@@H](C(=O)[O-])N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000261988663 605018117 /nfs/dbraw/zinc/01/81/17/605018117.db2.gz XORRPCKGXTXBPB-SFYZADRCSA-N -1 1 254.252 1.028 20 0 CDADMM CCc1cc(CNc2ccc(C(=O)[O-])c(C)n2)n[nH]1 ZINC000833671677 605036423 /nfs/dbraw/zinc/03/64/23/605036423.db2.gz OEDMLPHWUNVNBU-UHFFFAOYSA-N -1 1 260.297 1.986 20 0 CDADMM CC(C)C[C@@H](C)NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833474646 605055633 /nfs/dbraw/zinc/05/56/33/605055633.db2.gz RUCIVDSIDVAWOH-CHWSQXEVSA-N -1 1 299.415 1.611 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)C1 ZINC000833601861 605157416 /nfs/dbraw/zinc/15/74/16/605157416.db2.gz NSQRSRQHJMXGIK-AGIUHOORSA-N -1 1 282.384 1.430 20 0 CDADMM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])nc1)N1CCCCCC1 ZINC000833409549 605254703 /nfs/dbraw/zinc/25/47/03/605254703.db2.gz ONKYJXZXBSWHDI-NSHDSACASA-N -1 1 291.351 1.983 20 0 CDADMM C[C@@H]1CN(C(=O)/C=C/c2ccco2)CCN1CCC(=O)[O-] ZINC000833619619 605278978 /nfs/dbraw/zinc/27/89/78/605278978.db2.gz UJVIBTNRKFICES-ZYOFXKKJSA-N -1 1 292.335 1.300 20 0 CDADMM CC(C)C(=O)NCCN(C)c1cc(Cl)[n-]c(=O)n1 ZINC000858464814 617190360 /nfs/dbraw/zinc/19/03/60/617190360.db2.gz RMPXQFXWMXQSCS-UHFFFAOYSA-N -1 1 272.736 1.044 20 0 CDADMM O=c1nc(N2CCOC3(CCC3)C2)cc(Cl)[n-]1 ZINC000858462635 617190640 /nfs/dbraw/zinc/19/06/40/617190640.db2.gz WWIJCHYZNAGEED-UHFFFAOYSA-N -1 1 255.705 1.595 20 0 CDADMM COCCCCCN1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC000833724473 605683894 /nfs/dbraw/zinc/68/38/94/605683894.db2.gz DJNMKBUMRBGTKA-VXGBXAGGSA-N -1 1 287.356 1.141 20 0 CDADMM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000833481164 605746821 /nfs/dbraw/zinc/74/68/21/605746821.db2.gz UMCYCYGHUOBZPI-TUAOUCFPSA-N -1 1 285.388 1.220 20 0 CDADMM CCC[C@@H](C)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821015644 606156872 /nfs/dbraw/zinc/15/68/72/606156872.db2.gz RPBOXHZAWQQCCD-MRVPVSSYSA-N -1 1 292.347 1.253 20 0 CDADMM CCC[C@@H](C)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821015644 606156874 /nfs/dbraw/zinc/15/68/74/606156874.db2.gz RPBOXHZAWQQCCD-MRVPVSSYSA-N -1 1 292.347 1.253 20 0 CDADMM Cc1nc2n(n1)CCC[C@@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000822463432 606227776 /nfs/dbraw/zinc/22/77/76/606227776.db2.gz RODKWBTZOFCDBU-JTQLQIEISA-N -1 1 297.326 1.109 20 0 CDADMM Cc1nc2n(n1)CCC[C@@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000822463432 606227777 /nfs/dbraw/zinc/22/77/77/606227777.db2.gz RODKWBTZOFCDBU-JTQLQIEISA-N -1 1 297.326 1.109 20 0 CDADMM Cc1ccncc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822379603 606292781 /nfs/dbraw/zinc/29/27/81/606292781.db2.gz QRIKGQTWHXKJQL-UHFFFAOYSA-N -1 1 296.290 1.528 20 0 CDADMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H]1CCOC1 ZINC000820454972 606467875 /nfs/dbraw/zinc/46/78/75/606467875.db2.gz ACDFFHYNFNFWTR-JGVFFNPUSA-N -1 1 294.746 1.752 20 0 CDADMM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H]1CCOC1 ZINC000820454972 606467876 /nfs/dbraw/zinc/46/78/76/606467876.db2.gz ACDFFHYNFNFWTR-JGVFFNPUSA-N -1 1 294.746 1.752 20 0 CDADMM O=C(NO[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)s1 ZINC000823284469 606543555 /nfs/dbraw/zinc/54/35/55/606543555.db2.gz HRJJXMSACDHYTR-SECBINFHSA-N -1 1 295.324 1.116 20 0 CDADMM O=C(NO[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)s1 ZINC000823284469 606543557 /nfs/dbraw/zinc/54/35/57/606543557.db2.gz HRJJXMSACDHYTR-SECBINFHSA-N -1 1 295.324 1.116 20 0 CDADMM Cc1cnc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)o1 ZINC000822395175 606599211 /nfs/dbraw/zinc/59/92/11/606599211.db2.gz UZBXOMTXYKSGQE-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1cnc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)o1 ZINC000822395175 606599212 /nfs/dbraw/zinc/59/92/12/606599212.db2.gz UZBXOMTXYKSGQE-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM C=C/C(C)=C/CC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001602797856 1175404414 /nfs/dbraw/zinc/40/44/14/1175404414.db2.gz JHTLFPMSQNYGHD-XBXARRHUSA-N -1 1 290.352 1.462 20 0 CDADMM C=C/C(C)=C/CC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001602797856 1175404416 /nfs/dbraw/zinc/40/44/16/1175404416.db2.gz JHTLFPMSQNYGHD-XBXARRHUSA-N -1 1 290.352 1.462 20 0 CDADMM CC(C)C1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000824225286 607808388 /nfs/dbraw/zinc/80/83/88/607808388.db2.gz SSXJVXNHOKEHQK-UHFFFAOYSA-N -1 1 277.353 1.656 20 0 CDADMM CC(C)C1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000824225286 607808389 /nfs/dbraw/zinc/80/83/89/607808389.db2.gz SSXJVXNHOKEHQK-UHFFFAOYSA-N -1 1 277.353 1.656 20 0 CDADMM Cc1cnccc1CCNc1nccnc1-c1nnn[n-]1 ZINC000826319646 607850619 /nfs/dbraw/zinc/85/06/19/607850619.db2.gz LUNFKNOENPFPHP-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1cnccc1CCNc1nccnc1-c1nn[n-]n1 ZINC000826319646 607850620 /nfs/dbraw/zinc/85/06/20/607850620.db2.gz LUNFKNOENPFPHP-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM CC[C@H](O)CCCNc1cccc(-c2nnn[n-]2)n1 ZINC000825154360 607899920 /nfs/dbraw/zinc/89/99/20/607899920.db2.gz NWXKXJRCQFQKQK-VIFPVBQESA-N -1 1 262.317 1.225 20 0 CDADMM CC[C@H](O)CCCNc1cccc(-c2nn[n-]n2)n1 ZINC000825154360 607899921 /nfs/dbraw/zinc/89/99/21/607899921.db2.gz NWXKXJRCQFQKQK-VIFPVBQESA-N -1 1 262.317 1.225 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C(C1CC1)C1CC1 ZINC000826450925 607997650 /nfs/dbraw/zinc/99/76/50/607997650.db2.gz IXAVWGXUPFLZCL-UHFFFAOYSA-N -1 1 299.334 1.947 20 0 CDADMM OC[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC000826508408 608184716 /nfs/dbraw/zinc/18/47/16/608184716.db2.gz OQUYEVLMKCPRHX-RXMQYKEDSA-N -1 1 286.748 1.159 20 0 CDADMM OC[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC000826508408 608184717 /nfs/dbraw/zinc/18/47/17/608184717.db2.gz OQUYEVLMKCPRHX-RXMQYKEDSA-N -1 1 286.748 1.159 20 0 CDADMM c1ccc([C@@H]2CCN2c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826520387 608402573 /nfs/dbraw/zinc/40/25/73/608402573.db2.gz IEPVICGYVBTZMW-LBPRGKRZSA-N -1 1 279.307 1.608 20 0 CDADMM c1ccc([C@@H]2CCN2c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826520387 608402575 /nfs/dbraw/zinc/40/25/75/608402575.db2.gz IEPVICGYVBTZMW-LBPRGKRZSA-N -1 1 279.307 1.608 20 0 CDADMM CS[C@@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826226516 608425024 /nfs/dbraw/zinc/42/50/24/608425024.db2.gz AZZNFSDQUQGTML-HTQZYQBOSA-N -1 1 277.357 1.353 20 0 CDADMM CS[C@@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826226516 608425026 /nfs/dbraw/zinc/42/50/26/608425026.db2.gz AZZNFSDQUQGTML-HTQZYQBOSA-N -1 1 277.357 1.353 20 0 CDADMM CC(C)[C@@H]1OCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824229147 608428501 /nfs/dbraw/zinc/42/85/01/608428501.db2.gz OLFLAVYYXHZPII-CABZTGNLSA-N -1 1 289.343 1.130 20 0 CDADMM CC(C)[C@@H]1OCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824229147 608428503 /nfs/dbraw/zinc/42/85/03/608428503.db2.gz OLFLAVYYXHZPII-CABZTGNLSA-N -1 1 289.343 1.130 20 0 CDADMM C[C@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCCS1 ZINC000824829121 608431445 /nfs/dbraw/zinc/43/14/45/608431445.db2.gz DEVPLOVPELAIFX-LLVKDONJSA-N -1 1 277.357 1.354 20 0 CDADMM C[C@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCCS1 ZINC000824829121 608431446 /nfs/dbraw/zinc/43/14/46/608431446.db2.gz DEVPLOVPELAIFX-LLVKDONJSA-N -1 1 277.357 1.354 20 0 CDADMM CS[C@@H](CO)[C@@H](C)Nc1nc(-c2nn[n-]n2)ccc1C ZINC000826227314 608544333 /nfs/dbraw/zinc/54/43/33/608544333.db2.gz PBOLBECSKKWXFQ-SCZZXKLOSA-N -1 1 294.384 1.094 20 0 CDADMM Cc1cnn(CCNc2nc(-c3nn[n-]n3)ccc2C)c1 ZINC000826320172 608545006 /nfs/dbraw/zinc/54/50/06/608545006.db2.gz IUNFSPQCVJSNEK-UHFFFAOYSA-N -1 1 284.327 1.187 20 0 CDADMM O=C(Cn1ccnc1-c1nnn[n-]1)c1ccccc1F ZINC000826424756 608890684 /nfs/dbraw/zinc/89/06/84/608890684.db2.gz BEANREUTALODDG-UHFFFAOYSA-N -1 1 272.243 1.085 20 0 CDADMM O=C(Cn1ccnc1-c1nn[n-]n1)c1ccccc1F ZINC000826424756 608890689 /nfs/dbraw/zinc/89/06/89/608890689.db2.gz BEANREUTALODDG-UHFFFAOYSA-N -1 1 272.243 1.085 20 0 CDADMM C[C@H]1CCCC[C@H]1OCCn1ccnc1-c1nnn[n-]1 ZINC000824936082 608893968 /nfs/dbraw/zinc/89/39/68/608893968.db2.gz DRVXSYKMHDYBPE-WDEREUQCSA-N -1 1 276.344 1.659 20 0 CDADMM C[C@H]1CCCC[C@H]1OCCn1ccnc1-c1nn[n-]n1 ZINC000824936082 608893970 /nfs/dbraw/zinc/89/39/70/608893970.db2.gz DRVXSYKMHDYBPE-WDEREUQCSA-N -1 1 276.344 1.659 20 0 CDADMM FC(F)O[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000826369401 609316911 /nfs/dbraw/zinc/31/69/11/609316911.db2.gz AUAVRDMSARIBTD-QMMMGPOBSA-N -1 1 296.281 1.470 20 0 CDADMM FC(F)O[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000826369401 609316913 /nfs/dbraw/zinc/31/69/13/609316913.db2.gz AUAVRDMSARIBTD-QMMMGPOBSA-N -1 1 296.281 1.470 20 0 CDADMM Cc1cnc([C@H](C)Nc2nccnc2-c2nnn[n-]2)o1 ZINC000826317960 609435688 /nfs/dbraw/zinc/43/56/88/609435688.db2.gz QTLNOWSOEIWTTE-ZETCQYMHSA-N -1 1 272.272 1.126 20 0 CDADMM Cc1cnc([C@H](C)Nc2nccnc2-c2nn[n-]n2)o1 ZINC000826317960 609435690 /nfs/dbraw/zinc/43/56/90/609435690.db2.gz QTLNOWSOEIWTTE-ZETCQYMHSA-N -1 1 272.272 1.126 20 0 CDADMM c1nc(-c2nn[n-]n2)nn1C[C@H]1CCc2ccccc21 ZINC000826523138 609513433 /nfs/dbraw/zinc/51/34/33/609513433.db2.gz BPKSBFDPENITMI-SNVBAGLBSA-N -1 1 267.296 1.188 20 0 CDADMM C[C@@H](O)[C@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000824690216 609569347 /nfs/dbraw/zinc/56/93/47/609569347.db2.gz QXNABOZDQNKCFT-SFYZADRCSA-N -1 1 294.746 1.122 20 0 CDADMM C[C@@H](O)[C@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000824690216 609569350 /nfs/dbraw/zinc/56/93/50/609569350.db2.gz QXNABOZDQNKCFT-SFYZADRCSA-N -1 1 294.746 1.122 20 0 CDADMM O=c1nc(N[C@H]2CCN(CC(F)F)C2)cc(Cl)[n-]1 ZINC000858571299 617198679 /nfs/dbraw/zinc/19/86/79/617198679.db2.gz ACUVQEHTNPZDAV-LURJTMIESA-N -1 1 278.690 1.587 20 0 CDADMM O=C(NCC[C@@H](O)C1CC1)c1cc(Cl)ccc1[O-] ZINC000890729346 617310204 /nfs/dbraw/zinc/31/02/04/617310204.db2.gz ILKADWYKPDNTCS-LLVKDONJSA-N -1 1 269.728 1.936 20 0 CDADMM CC(=O)N(C)C[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000966564064 613712497 /nfs/dbraw/zinc/71/24/97/613712497.db2.gz NSMCFMXVQAJDFN-GFCCVEGCSA-N -1 1 291.351 1.118 20 0 CDADMM CCC[C@@](C)(O)CNc1cc(=O)[n-]c(COC)n1 ZINC000892501528 617436121 /nfs/dbraw/zinc/43/61/21/617436121.db2.gz BDZJLSACZRIVJZ-GFCCVEGCSA-N -1 1 255.318 1.292 20 0 CDADMM COCc1nc(NCCOCCC(C)C)cc(=O)[n-]1 ZINC000892076193 617464643 /nfs/dbraw/zinc/46/46/43/617464643.db2.gz SPEZJVHXHAYNBS-UHFFFAOYSA-N -1 1 269.345 1.803 20 0 CDADMM CCOC[C@@H]1CCCN(c2cc(=O)[n-]c(COC)n2)C1 ZINC000892524015 617476297 /nfs/dbraw/zinc/47/62/97/617476297.db2.gz GYNNJRTUHKGLTA-LLVKDONJSA-N -1 1 281.356 1.582 20 0 CDADMM CC1(C)CN(CCF)C[C@@H]1NC(=O)c1ncccc1[O-] ZINC000974491898 614651319 /nfs/dbraw/zinc/65/13/19/614651319.db2.gz QDKFGPJOGUWTBA-NSHDSACASA-N -1 1 281.331 1.197 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@H]1CCCOCC1 ZINC000891616985 617505719 /nfs/dbraw/zinc/50/57/19/617505719.db2.gz CUSROLAFRCUXMV-JTQLQIEISA-N -1 1 291.351 1.816 20 0 CDADMM O=C(COCC1CC1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891622808 617509173 /nfs/dbraw/zinc/50/91/73/617509173.db2.gz GCSDWRSAASSUDG-UHFFFAOYSA-N -1 1 277.324 1.426 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@H]1CCCS1 ZINC000891623727 617510302 /nfs/dbraw/zinc/51/03/02/617510302.db2.gz ZFIIFNUJCQBXKN-SNVBAGLBSA-N -1 1 279.365 1.895 20 0 CDADMM CN(C(=O)CC1CCC(C)(C)CC1)c1nn[n-]n1 ZINC000892955198 617972960 /nfs/dbraw/zinc/97/29/60/617972960.db2.gz YOJYFEWGUFPSHC-UHFFFAOYSA-N -1 1 251.334 1.769 20 0 CDADMM C[C@@H](CCC(=O)N(C)c1nn[n-]n1)c1ccccc1 ZINC000892954889 617977921 /nfs/dbraw/zinc/97/79/21/617977921.db2.gz UQZCEDTZRMBJBZ-JTQLQIEISA-N -1 1 259.313 1.746 20 0 CDADMM Cc1csc(C(=O)N(C)c2nn[n-]n2)c1Cl ZINC000892954528 617978838 /nfs/dbraw/zinc/97/88/38/617978838.db2.gz KZKHWTAFGZLJJN-UHFFFAOYSA-N -1 1 257.706 1.500 20 0 CDADMM CN(C)[C@@H](C(=O)N(C)c1nnn[n-]1)c1cccc(Cl)c1 ZINC000892954878 617978896 /nfs/dbraw/zinc/97/88/96/617978896.db2.gz UIZJNAAPHYBLBV-SNVBAGLBSA-N -1 1 294.746 1.119 20 0 CDADMM CN(C)[C@@H](C(=O)N(C)c1nn[n-]n1)c1cccc(Cl)c1 ZINC000892954878 617978903 /nfs/dbraw/zinc/97/89/03/617978903.db2.gz UIZJNAAPHYBLBV-SNVBAGLBSA-N -1 1 294.746 1.119 20 0 CDADMM CC[C@H](CC(=O)N(C)c1nn[n-]n1)c1ccc(OC)cc1 ZINC000892954536 617978963 /nfs/dbraw/zinc/97/89/63/617978963.db2.gz LBXCNPUHZSDYDU-SNVBAGLBSA-N -1 1 289.339 1.755 20 0 CDADMM COCc1nc(NC[C@@H](C)Cn2cccn2)cc(=O)[n-]1 ZINC000891863379 617681418 /nfs/dbraw/zinc/68/14/18/617681418.db2.gz WDOWRRSLWVXMKX-SNVBAGLBSA-N -1 1 277.328 1.273 20 0 CDADMM C[C@@H]1C[C@H](C(=O)OCCC[N-]C(=O)C(F)(F)F)CO1 ZINC000784272611 617847658 /nfs/dbraw/zinc/84/76/58/617847658.db2.gz QWGFXGJLFYQHTP-SFYZADRCSA-N -1 1 283.246 1.023 20 0 CDADMM CCOC(CCNc1cc(=O)[n-]c(COC)n1)OCC ZINC000893417863 617858453 /nfs/dbraw/zinc/85/84/53/617858453.db2.gz MJBRAONBUZDZSE-UHFFFAOYSA-N -1 1 285.344 1.530 20 0 CDADMM O=C(NCCC[C@H]1CCOC1)c1cnc(C2CC2)[n-]c1=O ZINC000909361706 617931300 /nfs/dbraw/zinc/93/13/00/617931300.db2.gz DGEQKKRVVCKQDH-JTQLQIEISA-N -1 1 291.351 1.606 20 0 CDADMM CN1C(=O)CCC[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000909373427 617994541 /nfs/dbraw/zinc/99/45/41/617994541.db2.gz YBOCBSWVSFMNJX-QMMMGPOBSA-N -1 1 284.262 1.620 20 0 CDADMM COCc1nc(N[C@@H]2CCOC[C@@H]2C)cc(=O)[n-]1 ZINC000893499814 617997545 /nfs/dbraw/zinc/99/75/45/617997545.db2.gz DVOZCLXCAGJMFK-DTWKUNHWSA-N -1 1 253.302 1.166 20 0 CDADMM Cc1ccc(CN2C[C@@H](C)O[C@@H](C(=O)[O-])C2)s1 ZINC000901910048 618363817 /nfs/dbraw/zinc/36/38/17/618363817.db2.gz AZJFQCBZCMWNGN-LDYMZIIASA-N -1 1 255.339 1.730 20 0 CDADMM C[C@](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)(C(=O)[O-])c1ccccc1 ZINC000902085218 618551595 /nfs/dbraw/zinc/55/15/95/618551595.db2.gz WQCCLOARAFGILJ-XHBSWPGZSA-N -1 1 299.330 1.629 20 0 CDADMM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc2cncn2c1 ZINC000902112557 618591215 /nfs/dbraw/zinc/59/12/15/618591215.db2.gz PYEXBBNDLDOIMY-AWEZNQCLSA-N -1 1 273.292 1.414 20 0 CDADMM CC1CCN(CC(=O)NCCSCCC(=O)[O-])CC1 ZINC000828284143 618617111 /nfs/dbraw/zinc/61/71/11/618617111.db2.gz CLWDMAKJMRDDQW-UHFFFAOYSA-N -1 1 288.413 1.042 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(C3CC3)on2)n1 ZINC000841221364 619084679 /nfs/dbraw/zinc/08/46/79/619084679.db2.gz AKJNTQGDMKXBMQ-UHFFFAOYSA-N -1 1 290.279 1.704 20 0 CDADMM C[C@H](C(=O)NCC1(C(=O)[O-])CCCCC1)N(C)C ZINC000909525025 619757338 /nfs/dbraw/zinc/75/73/38/619757338.db2.gz XNAZYIMNSWSFDW-SNVBAGLBSA-N -1 1 256.346 1.088 20 0 CDADMM C[S@@](=O)CCCc1noc(-c2ccc([O-])cc2F)n1 ZINC000896374600 620077768 /nfs/dbraw/zinc/07/77/68/620077768.db2.gz ASSYPAJYXZKVMW-LJQANCHMSA-N -1 1 284.312 1.892 20 0 CDADMM COC(=O)C[C@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC000889174831 620313932 /nfs/dbraw/zinc/31/39/32/620313932.db2.gz PTDCFGNVQVIYBG-JTQLQIEISA-N -1 1 280.324 1.495 20 0 CDADMM CO[C@@H]1CCOC[C@H]1[N-]c1nc(-c2ccccc2)no1 ZINC000897123410 620385929 /nfs/dbraw/zinc/38/59/29/620385929.db2.gz KKBWWMZTDAALIH-VXGBXAGGSA-N -1 1 275.308 1.952 20 0 CDADMM C[C@@](CNC(=O)Cc1cnc[nH]1)(C(=O)[O-])c1ccccc1 ZINC000909605600 620502888 /nfs/dbraw/zinc/50/28/88/620502888.db2.gz PUPYODNRACWIAY-HNNXBMFYSA-N -1 1 287.319 1.111 20 0 CDADMM O=C(c1c([O-])cnc2c(F)cccc21)N1CC[C@@H]1CO ZINC000889159488 620823497 /nfs/dbraw/zinc/82/34/97/620823497.db2.gz IBJVLQJPOASPFO-MRVPVSSYSA-N -1 1 276.267 1.286 20 0 CDADMM COCCCONC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897755785 621093677 /nfs/dbraw/zinc/09/36/77/621093677.db2.gz TZNFUHWGIQAATQ-UHFFFAOYSA-N -1 1 291.303 1.949 20 0 CDADMM CCC[C@@H](C)CC(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898754943 621865850 /nfs/dbraw/zinc/86/58/50/621865850.db2.gz ZXYWTAZWCKSNJE-MRVPVSSYSA-N -1 1 253.302 1.330 20 0 CDADMM Cc1oc(C(C)C)cc1C(=O)[N-]N1C(=O)[C@@H](C)N(C)C1=O ZINC000899037772 622030131 /nfs/dbraw/zinc/03/01/31/622030131.db2.gz IDJJMCMSHCNAEE-MRVPVSSYSA-N -1 1 293.323 1.639 20 0 CDADMM O=C(NC[C@H]1C[C@H](O)C1)c1ccc2ccc(O)cc2c1[O-] ZINC000899193828 622089130 /nfs/dbraw/zinc/08/91/30/622089130.db2.gz WJAZHPUTEHSDJK-OTCDBFHCSA-N -1 1 287.315 1.752 20 0 CDADMM O=C(N[C@@H](CO)C[C@H]1CCCO1)c1c([O-])cccc1Cl ZINC000899302524 622170333 /nfs/dbraw/zinc/17/03/33/622170333.db2.gz ZFRNFTCHVZFVFA-NXEZZACHSA-N -1 1 299.754 1.705 20 0 CDADMM C[C@H]1CCC[C@H]1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900590627 623267770 /nfs/dbraw/zinc/26/77/70/623267770.db2.gz GERWATYJHYSJRB-GZMMTYOYSA-N -1 1 261.325 1.978 20 0 CDADMM CC[C@@H](C)[C@@](C)(O)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900851997 623567787 /nfs/dbraw/zinc/56/77/87/623567787.db2.gz CASBXPHLAWUINQ-PSLIRLAXSA-N -1 1 293.367 1.587 20 0 CDADMM O=C(N[C@@H]1CCCSC1)c1cnc(C2CC2)[n-]c1=O ZINC000900954629 623722244 /nfs/dbraw/zinc/72/22/44/623722244.db2.gz MWHZHJYHLLDODU-SECBINFHSA-N -1 1 279.365 1.685 20 0 CDADMM CCC[C@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)CCO1 ZINC000901235529 624025381 /nfs/dbraw/zinc/02/53/81/624025381.db2.gz GHLHUSIKILFTCJ-NSHDSACASA-N -1 1 291.351 1.701 20 0 CDADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC[C@@H](C2CC2)C1 ZINC000901266264 624083680 /nfs/dbraw/zinc/08/36/80/624083680.db2.gz NLFIXVKOQKQRDP-LLVKDONJSA-N -1 1 273.336 1.932 20 0 CDADMM C[C@H]1CN(Cc2ccc(/C=C\C(=O)[O-])o2)CCCO1 ZINC000901431269 624243987 /nfs/dbraw/zinc/24/39/87/624243987.db2.gz RAVZLLSAKBFGHK-GZTOBOFZSA-N -1 1 265.309 1.988 20 0 CDADMM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cccc2[nH]cnc21 ZINC000901475232 624262592 /nfs/dbraw/zinc/26/25/92/624262592.db2.gz MMDXEOPKPMGRMB-SECBINFHSA-N -1 1 275.308 1.888 20 0 CDADMM Cc1ccc(CN2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)o1 ZINC000901525242 624316864 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XSCCPLOQNXUPQF-UHFFFAOYSA-N -1 1 289.339 1.794 20 0 CDADMM CC1(C)C[C@@H]1C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000337455390 1161958410 /nfs/dbraw/zinc/95/84/10/1161958410.db2.gz WHDPPQMKZGYVHN-LLVKDONJSA-N -1 1 287.323 1.763 20 0 CDADMM CC1(C)CC[C@H](CN2CCC[C@H](O)[C@@H]2C(=O)[O-])OC1 ZINC001604525278 1163217838 /nfs/dbraw/zinc/21/78/38/1163217838.db2.gz BQBNJPYLDQCLFA-GRYCIOLGSA-N -1 1 271.357 1.102 20 0 CDADMM CN(CCC(C)(C)C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001604737433 1163302744 /nfs/dbraw/zinc/30/27/44/1163302744.db2.gz BIVIAQNVLJSLIN-UHFFFAOYSA-N -1 1 288.355 1.770 20 0 CDADMM CN(CCC(C)(C)C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001604737433 1163302752 /nfs/dbraw/zinc/30/27/52/1163302752.db2.gz BIVIAQNVLJSLIN-UHFFFAOYSA-N -1 1 288.355 1.770 20 0 CDADMM CN(Cc1nccs1)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604823776 1163340390 /nfs/dbraw/zinc/34/03/90/1163340390.db2.gz HTHWAFDXAXMGMP-UHFFFAOYSA-N -1 1 290.308 1.188 20 0 CDADMM CN(Cc1nccs1)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001604823776 1163340397 /nfs/dbraw/zinc/34/03/97/1163340397.db2.gz HTHWAFDXAXMGMP-UHFFFAOYSA-N -1 1 290.308 1.188 20 0 CDADMM CO[C@@]1(C)CCCN(c2ccc(C)c(-c3nnn[n-]3)n2)C1 ZINC001605014756 1163417827 /nfs/dbraw/zinc/41/78/27/1163417827.db2.gz AQHFLVFOOMWVFO-AWEZNQCLSA-N -1 1 288.355 1.575 20 0 CDADMM CO[C@@]1(C)CCCN(c2ccc(C)c(-c3nn[n-]n3)n2)C1 ZINC001605014756 1163417832 /nfs/dbraw/zinc/41/78/32/1163417832.db2.gz AQHFLVFOOMWVFO-AWEZNQCLSA-N -1 1 288.355 1.575 20 0 CDADMM CC/C=C(\C)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001605183400 1163480393 /nfs/dbraw/zinc/48/03/93/1163480393.db2.gz XCWIINIHNIJTFW-JXDHDYMSSA-N -1 1 268.357 1.350 20 0 CDADMM CCC[C@H](O)CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001605218102 1163490216 /nfs/dbraw/zinc/49/02/16/1163490216.db2.gz SKZMIZXIRXNBAC-QMMMGPOBSA-N -1 1 291.307 1.751 20 0 CDADMM COc1cccc(CN(C)c2cncc(-c3nnn[n-]3)n2)c1 ZINC001605316815 1163523524 /nfs/dbraw/zinc/52/35/24/1163523524.db2.gz IZRAXEGDOCVRSF-UHFFFAOYSA-N -1 1 297.322 1.302 20 0 CDADMM COc1cccc(CN(C)c2cncc(-c3nn[n-]n3)n2)c1 ZINC001605316815 1163523529 /nfs/dbraw/zinc/52/35/29/1163523529.db2.gz IZRAXEGDOCVRSF-UHFFFAOYSA-N -1 1 297.322 1.302 20 0 CDADMM CCN(CCOC)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001605450300 1163569457 /nfs/dbraw/zinc/56/94/57/1163569457.db2.gz YQNOSOBQZVIJPU-SREVYHEPSA-N -1 1 253.298 1.846 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C)S[C@H](C)C2)c1 ZINC001605558805 1163609780 /nfs/dbraw/zinc/60/97/80/1163609780.db2.gz ZPFRVBCFBARGNB-NXEZZACHSA-N -1 1 290.396 1.900 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C)S[C@H](C)C2)c1 ZINC001605558805 1163609784 /nfs/dbraw/zinc/60/97/84/1163609784.db2.gz ZPFRVBCFBARGNB-NXEZZACHSA-N -1 1 290.396 1.900 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2C=CCCC2)n1 ZINC001605569197 1163612723 /nfs/dbraw/zinc/61/27/23/1163612723.db2.gz JKVHFDKYYQDSHS-SECBINFHSA-N -1 1 257.301 1.486 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2C=CCCC2)n1 ZINC001605569197 1163612725 /nfs/dbraw/zinc/61/27/25/1163612725.db2.gz JKVHFDKYYQDSHS-SECBINFHSA-N -1 1 257.301 1.486 20 0 CDADMM Cc1ccc(C)c(Cn2ccn3ncc(-c4nn[n-]n4)c23)c1 ZINC001605829783 1163682529 /nfs/dbraw/zinc/68/25/29/1163682529.db2.gz OFMJZKVJCDHJCX-UHFFFAOYSA-N -1 1 293.334 1.981 20 0 CDADMM CCc1nc([C@@H](C)Sc2nc(C(=O)[O-])c[nH]2)n[nH]1 ZINC001605842134 1163685171 /nfs/dbraw/zinc/68/51/71/1163685171.db2.gz DBFHCMJBAACGGO-RXMQYKEDSA-N -1 1 267.314 1.642 20 0 CDADMM Cc1ccc(CC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)o1 ZINC001605843562 1163687062 /nfs/dbraw/zinc/68/70/62/1163687062.db2.gz LQVVGWSEQZJPIP-VIFPVBQESA-N -1 1 299.338 1.991 20 0 CDADMM Cc1ccc(CC[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)o1 ZINC001605843562 1163687068 /nfs/dbraw/zinc/68/70/68/1163687068.db2.gz LQVVGWSEQZJPIP-VIFPVBQESA-N -1 1 299.338 1.991 20 0 CDADMM Cc1ccc(CN(C)c2cc(-c3nnn[n-]3)ncn2)cc1C ZINC001605846415 1163687327 /nfs/dbraw/zinc/68/73/27/1163687327.db2.gz JGYCFJXAEHKLBB-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccc(CN(C)c2cc(-c3nn[n-]n3)ncn2)cc1C ZINC001605846415 1163687330 /nfs/dbraw/zinc/68/73/30/1163687330.db2.gz JGYCFJXAEHKLBB-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccc(NC2CC(CCO)C2)nc1-c1nnn[n-]1 ZINC001605871715 1163699388 /nfs/dbraw/zinc/69/93/88/1163699388.db2.gz JADWHTIVAOQARM-UHFFFAOYSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1ccc(NC2CC(CCO)C2)nc1-c1nn[n-]n1 ZINC001605871715 1163699395 /nfs/dbraw/zinc/69/93/95/1163699395.db2.gz JADWHTIVAOQARM-UHFFFAOYSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1ccc(N[C@@H]2CC23CCC3)c(-c2nnn[n-]2)n1 ZINC001605871742 1163699833 /nfs/dbraw/zinc/69/98/33/1163699833.db2.gz KCANHIRWJGQMFK-SNVBAGLBSA-N -1 1 256.313 1.925 20 0 CDADMM Cc1ccc(N[C@@H]2CC23CCC3)c(-c2nn[n-]n2)n1 ZINC001605871742 1163699835 /nfs/dbraw/zinc/69/98/35/1163699835.db2.gz KCANHIRWJGQMFK-SNVBAGLBSA-N -1 1 256.313 1.925 20 0 CDADMM Cc1ccc(NC[C@H]2CCC[C@H](O)C2)nc1-c1nnn[n-]1 ZINC001605875059 1163702531 /nfs/dbraw/zinc/70/25/31/1163702531.db2.gz XAQUTQYWVMVENC-QWRGUYRKSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(NC[C@H]2CCC[C@H](O)C2)nc1-c1nn[n-]n1 ZINC001605875059 1163702538 /nfs/dbraw/zinc/70/25/38/1163702538.db2.gz XAQUTQYWVMVENC-QWRGUYRKSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1cccc(C)c1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001605908904 1163711557 /nfs/dbraw/zinc/71/15/57/1163711557.db2.gz RTCDXHHZUGUVGO-UHFFFAOYSA-N -1 1 281.323 1.308 20 0 CDADMM Cc1cncc(CCNc2ccc(C)c(-c3nnn[n-]3)n2)n1 ZINC001605984474 1163735913 /nfs/dbraw/zinc/73/59/13/1163735913.db2.gz LPZNEDPXVGWKTH-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1cncc(CCNc2ccc(C)c(-c3nn[n-]n3)n2)n1 ZINC001605984474 1163735916 /nfs/dbraw/zinc/73/59/16/1163735916.db2.gz LPZNEDPXVGWKTH-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1cnccc1CNc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001605986392 1163736193 /nfs/dbraw/zinc/73/61/93/1163736193.db2.gz OPNAQIDAQHLZJX-UHFFFAOYSA-N -1 1 296.338 1.783 20 0 CDADMM Cc1cnccc1CNc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001605986392 1163736200 /nfs/dbraw/zinc/73/62/00/1163736200.db2.gz OPNAQIDAQHLZJX-UHFFFAOYSA-N -1 1 296.338 1.783 20 0 CDADMM Cc1coc(COC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001605996396 1163740231 /nfs/dbraw/zinc/74/02/31/1163740231.db2.gz SNTISMFVRMJLCX-UHFFFAOYSA-N -1 1 274.236 1.718 20 0 CDADMM CN(C)Cc1ccsc1C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001606036751 1163751778 /nfs/dbraw/zinc/75/17/78/1163751778.db2.gz ZFHFCBYBOHJQMB-LLVKDONJSA-N -1 1 294.376 1.713 20 0 CDADMM Cc1nc(NCC2CC(C)(C)C2)cc(-c2nnn[n-]2)n1 ZINC001606066747 1163760975 /nfs/dbraw/zinc/76/09/75/1163760975.db2.gz FYBNJHSOZVUOKL-UHFFFAOYSA-N -1 1 273.344 1.813 20 0 CDADMM Cc1nc(NCC2CC(C)(C)C2)cc(-c2nn[n-]n2)n1 ZINC001606066747 1163760980 /nfs/dbraw/zinc/76/09/80/1163760980.db2.gz FYBNJHSOZVUOKL-UHFFFAOYSA-N -1 1 273.344 1.813 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC001606166335 1163793406 /nfs/dbraw/zinc/79/34/06/1163793406.db2.gz QGJAPUNWFUHBOL-RKDXNWHRSA-N -1 1 289.339 1.886 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC001606166335 1163793415 /nfs/dbraw/zinc/79/34/15/1163793415.db2.gz QGJAPUNWFUHBOL-RKDXNWHRSA-N -1 1 289.339 1.886 20 0 CDADMM ClC1(Cl)C[C@H]1CNc1ncncc1-c1nn[n-]n1 ZINC001606185842 1163801287 /nfs/dbraw/zinc/80/12/87/1163801287.db2.gz XNWNZQMYJRHSFW-YFKPBYRVSA-N -1 1 286.126 1.262 20 0 CDADMM Clc1ccsc1Cn1cnc(-c2nn[n-]n2)n1 ZINC001606197057 1163802175 /nfs/dbraw/zinc/80/21/75/1163802175.db2.gz ZAXPMQBMKCOFSF-UHFFFAOYSA-N -1 1 267.705 1.221 20 0 CDADMM CN1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CCC1=O ZINC001606238419 1163824234 /nfs/dbraw/zinc/82/42/34/1163824234.db2.gz ZEBVXVAXIUCNTJ-ZDUSSCGKSA-N -1 1 296.754 1.630 20 0 CDADMM FC(F)(F)c1cc(-c2nnn[n-]2)nc(N2CC3(CC3)C2)c1 ZINC001606291928 1163837946 /nfs/dbraw/zinc/83/79/46/1163837946.db2.gz IYXLZBXOTCSHGQ-UHFFFAOYSA-N -1 1 296.256 1.881 20 0 CDADMM FC(F)(F)c1cc(-c2nn[n-]n2)nc(N2CC3(CC3)C2)c1 ZINC001606291928 1163837952 /nfs/dbraw/zinc/83/79/52/1163837952.db2.gz IYXLZBXOTCSHGQ-UHFFFAOYSA-N -1 1 296.256 1.881 20 0 CDADMM FC(F)(F)c1ccc(Cn2ccnc2-c2nnn[n-]2)nc1 ZINC001606294268 1163840151 /nfs/dbraw/zinc/84/01/51/1163840151.db2.gz LKMSBXUVDBOXIF-UHFFFAOYSA-N -1 1 295.228 1.525 20 0 CDADMM FC(F)(F)c1ccc(Cn2ccnc2-c2nn[n-]n2)nc1 ZINC001606294268 1163840156 /nfs/dbraw/zinc/84/01/56/1163840156.db2.gz LKMSBXUVDBOXIF-UHFFFAOYSA-N -1 1 295.228 1.525 20 0 CDADMM FC1(F)CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001606300806 1163845141 /nfs/dbraw/zinc/84/51/41/1163845141.db2.gz XWCCZYWNENGHDP-QMMMGPOBSA-N -1 1 295.297 1.316 20 0 CDADMM FC1(F)C[C@@]12CCCN(c1cccc(-c3nnn[n-]3)n1)C2 ZINC001606301165 1163845194 /nfs/dbraw/zinc/84/51/94/1163845194.db2.gz OTIPUIWWNDQKTQ-GFCCVEGCSA-N -1 1 292.293 1.887 20 0 CDADMM FC1(F)C[C@@]12CCCN(c1cccc(-c3nn[n-]n3)n1)C2 ZINC001606301165 1163845200 /nfs/dbraw/zinc/84/52/00/1163845200.db2.gz OTIPUIWWNDQKTQ-GFCCVEGCSA-N -1 1 292.293 1.887 20 0 CDADMM FC1(F)CCC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001606300286 1163845695 /nfs/dbraw/zinc/84/56/95/1163845695.db2.gz SIQVKOBPULBKOP-ZETCQYMHSA-N -1 1 267.243 1.256 20 0 CDADMM FC1(F)CCC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001606300286 1163845699 /nfs/dbraw/zinc/84/56/99/1163845699.db2.gz SIQVKOBPULBKOP-ZETCQYMHSA-N -1 1 267.243 1.256 20 0 CDADMM COC(=O)[C@H](CCC(=O)[O-])N1CCCC2(CCOCC2)C1 ZINC001606332692 1163864041 /nfs/dbraw/zinc/86/40/41/1163864041.db2.gz RAIVHFIAIOGBOB-LBPRGKRZSA-N -1 1 299.367 1.285 20 0 CDADMM Fc1ccc(Oc2cnc(F)cn2)c(-c2nn[n-]n2)n1 ZINC001606336017 1163866166 /nfs/dbraw/zinc/86/61/66/1163866166.db2.gz NZFNRHQXSWQETI-UHFFFAOYSA-N -1 1 277.194 1.122 20 0 CDADMM COC(=O)CN(C/C=C(\C)C(=O)[O-])C1CCCCC1 ZINC001606468578 1163909900 /nfs/dbraw/zinc/90/99/00/1163909900.db2.gz MKBFZZFLFWEPAQ-DHZHZOJOSA-N -1 1 269.341 1.825 20 0 CDADMM O=C(N1CCCc2nc(-c3nnn[n-]3)ccc21)C12CC(C1)C2 ZINC001606632264 1163942007 /nfs/dbraw/zinc/94/20/07/1163942007.db2.gz OZSKESNUUAWTIE-UHFFFAOYSA-N -1 1 296.334 1.341 20 0 CDADMM O=C(N1CCCc2nc(-c3nn[n-]n3)ccc21)C12CC(C1)C2 ZINC001606632264 1163942011 /nfs/dbraw/zinc/94/20/11/1163942011.db2.gz OZSKESNUUAWTIE-UHFFFAOYSA-N -1 1 296.334 1.341 20 0 CDADMM O=C(NC1CCC2(CC2)CC1)c1coc(-c2nnn[n-]2)c1 ZINC001606657852 1163948898 /nfs/dbraw/zinc/94/88/98/1163948898.db2.gz KDHIWWCAOHLSLH-UHFFFAOYSA-N -1 1 287.323 1.912 20 0 CDADMM O=C(NC1CCC2(CC2)CC1)c1coc(-c2nn[n-]n2)c1 ZINC001606657852 1163948904 /nfs/dbraw/zinc/94/89/04/1163948904.db2.gz KDHIWWCAOHLSLH-UHFFFAOYSA-N -1 1 287.323 1.912 20 0 CDADMM COCCOC1CCN(Cc2cc(C)c(C(=O)[O-])[nH]2)CC1 ZINC001606901013 1164027507 /nfs/dbraw/zinc/02/75/07/1164027507.db2.gz DQKAWSXHHXVEBZ-UHFFFAOYSA-N -1 1 296.367 1.649 20 0 CDADMM O=C(Nc1ccc(O)cc1F)c1coc(-c2nnn[n-]2)c1 ZINC001606923468 1164031577 /nfs/dbraw/zinc/03/15/77/1164031577.db2.gz NVBLPXQKDBAFQO-UHFFFAOYSA-N -1 1 289.226 1.557 20 0 CDADMM O=C(Nc1ccc(O)cc1F)c1coc(-c2nn[n-]n2)c1 ZINC001606923468 1164031586 /nfs/dbraw/zinc/03/15/86/1164031586.db2.gz NVBLPXQKDBAFQO-UHFFFAOYSA-N -1 1 289.226 1.557 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1ccc(F)cn1 ZINC001606934462 1164032457 /nfs/dbraw/zinc/03/24/57/1164032457.db2.gz ADNRKELMZFQBDA-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1ccc(F)cn1 ZINC001606934462 1164032463 /nfs/dbraw/zinc/03/24/63/1164032463.db2.gz ADNRKELMZFQBDA-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM COCc1nc(CNc2nc(C(=O)[O-])c(C)s2)n[nH]1 ZINC001606981195 1164046801 /nfs/dbraw/zinc/04/68/01/1164046801.db2.gz JHNHXBPPGHDEEJ-UHFFFAOYSA-N -1 1 283.313 1.026 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC[C@@H]1C1CCC1 ZINC001607025498 1164063955 /nfs/dbraw/zinc/06/39/55/1164063955.db2.gz GSLPACCPTCTRNK-CYBMUJFWSA-N -1 1 298.350 1.666 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC[C@@H]1C1CCC1 ZINC001607025498 1164063958 /nfs/dbraw/zinc/06/39/58/1164063958.db2.gz GSLPACCPTCTRNK-CYBMUJFWSA-N -1 1 298.350 1.666 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3CSC[C@H]3C2)c1 ZINC001607116736 1164095095 /nfs/dbraw/zinc/09/50/95/1164095095.db2.gz TYBWMILNWPHURR-NXEZZACHSA-N -1 1 288.380 1.451 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3CSC[C@H]3C2)c1 ZINC001607116736 1164095099 /nfs/dbraw/zinc/09/50/99/1164095099.db2.gz TYBWMILNWPHURR-NXEZZACHSA-N -1 1 288.380 1.451 20 0 CDADMM c1cc(N2CCCC3(CC3)CC2)nc(-c2nn[n-]n2)n1 ZINC001607120275 1164103496 /nfs/dbraw/zinc/10/34/96/1164103496.db2.gz XXMWQQSAAWBRBC-UHFFFAOYSA-N -1 1 271.328 1.427 20 0 CDADMM c1cc(N2CCC(C3CCC3)CC2)nnc1-c1nnn[n-]1 ZINC001607120510 1164103618 /nfs/dbraw/zinc/10/36/18/1164103618.db2.gz VPUGPTOWYPYWPI-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM c1cc(N2CCC(C3CCC3)CC2)nnc1-c1nn[n-]n1 ZINC001607120510 1164103624 /nfs/dbraw/zinc/10/36/24/1164103624.db2.gz VPUGPTOWYPYWPI-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM c1ccc2c(c1)C[C@@H](CNc1ccnc(-c3nnn[n-]3)c1)O2 ZINC001607131779 1164109933 /nfs/dbraw/zinc/10/99/33/1164109933.db2.gz OKYIUJBXRHBPJP-LBPRGKRZSA-N -1 1 294.318 1.099 20 0 CDADMM c1ccc2c(c1)C[C@@H](CNc1ccnc(-c3nn[n-]n3)c1)O2 ZINC001607131779 1164109937 /nfs/dbraw/zinc/10/99/37/1164109937.db2.gz OKYIUJBXRHBPJP-LBPRGKRZSA-N -1 1 294.318 1.099 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OCCOCC2CC2)c1 ZINC001607133530 1164112854 /nfs/dbraw/zinc/11/28/54/1164112854.db2.gz JNLGLDYWLKRFAP-UHFFFAOYSA-N -1 1 261.285 1.067 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OCCOCC2CC2)c1 ZINC001607133530 1164112859 /nfs/dbraw/zinc/11/28/59/1164112859.db2.gz JNLGLDYWLKRFAP-UHFFFAOYSA-N -1 1 261.285 1.067 20 0 CDADMM c1cncc([C@H]2C[C@@H]2Nc2ncncc2-c2nn[n-]n2)c1 ZINC001607135431 1164114500 /nfs/dbraw/zinc/11/45/00/1164114500.db2.gz CCLGXNYMFWDCHC-KOLCDFICSA-N -1 1 280.295 1.020 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NCC[C@H]1CCCCO1 ZINC001607136609 1164115812 /nfs/dbraw/zinc/11/58/12/1164115812.db2.gz LSJINVBDEPNPFF-SECBINFHSA-N -1 1 275.316 1.028 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NCC[C@H]1CCCCO1 ZINC001607136609 1164115817 /nfs/dbraw/zinc/11/58/17/1164115817.db2.gz LSJINVBDEPNPFF-SECBINFHSA-N -1 1 275.316 1.028 20 0 CDADMM c1cn2ncc(-c3nn[n-]n3)c2n1CCCC1CCC1 ZINC001607138014 1164118463 /nfs/dbraw/zinc/11/84/63/1164118463.db2.gz MMXRXUUBKZWDSA-UHFFFAOYSA-N -1 1 271.328 1.896 20 0 CDADMM Cc1cc(CCC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)n[nH]1 ZINC001607639109 1164248890 /nfs/dbraw/zinc/24/88/90/1164248890.db2.gz 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/nfs/dbraw/zinc/63/43/68/1164634368.db2.gz NNNRPZDGLARGFA-UHFFFAOYSA-N -1 1 257.293 1.394 20 0 CDADMM O=C([O-])c1cnc(CN2CCCC[C@]23CCOC3)cn1 ZINC001608971771 1164698898 /nfs/dbraw/zinc/69/88/98/1164698898.db2.gz WIZALYNYMYCLCI-CQSZACIVSA-N -1 1 277.324 1.320 20 0 CDADMM O=C([O-])c1cnc(CN[C@@H]2C[C@H](O)C23CCC3)s1 ZINC001608972103 1164699507 /nfs/dbraw/zinc/69/95/07/1164699507.db2.gz LKZRBQJBTJASCM-BDAKNGLRSA-N -1 1 268.338 1.234 20 0 CDADMM O=C([O-])c1cnc(NCc2ccc3cncn3c2)cn1 ZINC001608978107 1164701799 /nfs/dbraw/zinc/70/17/99/1164701799.db2.gz YDLYAFKADCIUAV-UHFFFAOYSA-N -1 1 269.264 1.435 20 0 CDADMM CC(C)(C)ONC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609079515 1164759538 /nfs/dbraw/zinc/75/95/38/1164759538.db2.gz AZELMCNQVANSBM-UHFFFAOYSA-N -1 1 267.314 1.388 20 0 CDADMM C[C@@H](Cc1ccncc1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001609116012 1164777299 /nfs/dbraw/zinc/77/72/99/1164777299.db2.gz UGAPIKGQLJDHOQ-JTQLQIEISA-N -1 1 281.323 1.122 20 0 CDADMM C[C@@H](Cc1ccncc1)Nc1ccnc(-c2nn[n-]n2)c1 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296.400 1.841 20 0 CDADMM CC[C@H]1CN(c2ccc(C)c(-c3nnn[n-]3)n2)C[C@@H](C)O1 ZINC001609202774 1164842629 /nfs/dbraw/zinc/84/26/29/1164842629.db2.gz OZABOKBMTSEWKH-MNOVXSKESA-N -1 1 288.355 1.574 20 0 CDADMM CC[C@H]1CN(c2ccc(C)c(-c3nn[n-]n3)n2)C[C@@H](C)O1 ZINC001609202774 1164842634 /nfs/dbraw/zinc/84/26/34/1164842634.db2.gz OZABOKBMTSEWKH-MNOVXSKESA-N -1 1 288.355 1.574 20 0 CDADMM CC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)CCCO1 ZINC001609201967 1164843082 /nfs/dbraw/zinc/84/30/82/1164843082.db2.gz WEIPLBDINMPTAD-SECBINFHSA-N -1 1 291.311 1.101 20 0 CDADMM CC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)CCCO1 ZINC001609201967 1164843091 /nfs/dbraw/zinc/84/30/91/1164843091.db2.gz WEIPLBDINMPTAD-SECBINFHSA-N -1 1 291.311 1.101 20 0 CDADMM CN(C(=O)c1ccnc(-c2nnn[n-]2)c1)C1CCCC1 ZINC001609263156 1164870835 /nfs/dbraw/zinc/87/08/35/1164870835.db2.gz WKRBNPSKTRPCLJ-UHFFFAOYSA-N -1 1 272.312 1.276 20 0 CDADMM CN(C(=O)c1ccnc(-c2nn[n-]n2)c1)C1CCCC1 ZINC001609263156 1164870839 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1164958639 /nfs/dbraw/zinc/95/86/39/1164958639.db2.gz VPSRRPPLVVQBKE-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM Cc1ncsc1CCNc1cc(-c2nn[n-]n2)ncn1 ZINC001609457760 1164958643 /nfs/dbraw/zinc/95/86/43/1164958643.db2.gz VPSRRPPLVVQBKE-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM Cc1occc1CNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001609470867 1164963944 /nfs/dbraw/zinc/96/39/44/1164963944.db2.gz ZIYBDRQOVBAVEF-UHFFFAOYSA-N -1 1 287.279 1.600 20 0 CDADMM Cc1occc1CNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609470867 1164963952 /nfs/dbraw/zinc/96/39/52/1164963952.db2.gz ZIYBDRQOVBAVEF-UHFFFAOYSA-N -1 1 287.279 1.600 20 0 CDADMM Clc1ccccc1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001609474131 1164966735 /nfs/dbraw/zinc/96/67/35/1164966735.db2.gz IILKJVWUPMDAJF-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM Clc1ccccc1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001609474131 1164966741 /nfs/dbraw/zinc/96/67/41/1164966741.db2.gz IILKJVWUPMDAJF-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM FC1=CCCN(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001609486370 1164970316 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Cc1csc(C2(NC[C@](C)(O)C(=O)[O-])CCC2)n1 ZINC001610546730 1165339503 /nfs/dbraw/zinc/33/95/03/1165339503.db2.gz ILOINZCSQGFSTQ-NSHDSACASA-N -1 1 270.354 1.256 20 0 CDADMM Cc1nc(C)c(CN[C@]2(CC(=O)[O-])CCOC2)o1 ZINC001610553435 1165352574 /nfs/dbraw/zinc/35/25/74/1165352574.db2.gz GQNQXHGOKTTZLE-LBPRGKRZSA-N -1 1 254.286 1.015 20 0 CDADMM NC(=O)C[C@H](NCc1ccoc1C(=O)[O-])c1ccccc1 ZINC001610638274 1165390231 /nfs/dbraw/zinc/39/02/31/1165390231.db2.gz BKWCEJWZTOZEBI-LBPRGKRZSA-N -1 1 288.303 1.684 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(CC(=O)NCCC3CCCCC3)C[C@@H]21 ZINC001610665921 1165401659 /nfs/dbraw/zinc/40/16/59/1165401659.db2.gz NNBUOJPDCSHTHD-NHAGDIPZSA-N -1 1 294.395 1.335 20 0 CDADMM O=C([O-])c1cc(C[N@H+]2CCOC[C@H](C3CCC3)C2)c[nH]1 ZINC001610811364 1165450743 /nfs/dbraw/zinc/45/07/43/1165450743.db2.gz SPDRCJNRCMVDKY-CYBMUJFWSA-N -1 1 278.352 1.961 20 0 CDADMM O=C([O-])c1cncc(S(=O)(=O)Nc2cccc(F)c2)c1 ZINC001610863745 1165466474 /nfs/dbraw/zinc/46/64/74/1165466474.db2.gz GINRLZOONMUZHB-UHFFFAOYSA-N -1 1 296.279 1.720 20 0 CDADMM Cn1nnc([N-]C(=O)c2cc(-c3cccs3)on2)n1 ZINC001629752274 1166161019 /nfs/dbraw/zinc/16/10/19/1166161019.db2.gz CDMJWTRBRJYPDD-UHFFFAOYSA-N -1 1 276.281 1.179 20 0 CDADMM C[C@@H]1CCC[C@@H](OCC(=O)Nc2c[n-][nH]c2=O)C1 ZINC001638735675 1166867259 /nfs/dbraw/zinc/86/72/59/1166867259.db2.gz SXJPZLGCIVQZCM-RKDXNWHRSA-N -1 1 253.302 1.649 20 0 CDADMM O=C(NCCOc1ccncc1)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155276247 1167114077 /nfs/dbraw/zinc/11/40/77/1167114077.db2.gz ONYLGSWCPALREC-UHFFFAOYSA-N -1 1 298.302 1.472 20 0 CDADMM CC(C)[C@H](O)CCNC(C)(C)c1cc(C(=O)[O-])on1 ZINC001603743427 1167844004 /nfs/dbraw/zinc/84/40/04/1167844004.db2.gz UJBFVHIOTUMPNE-SECBINFHSA-N -1 1 270.329 1.605 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cnc(C)nc1C1CC1 ZINC001647213305 1168455746 /nfs/dbraw/zinc/45/57/46/1168455746.db2.gz RHJRTDAGMRUYTO-UHFFFAOYSA-N -1 1 273.296 1.652 20 0 CDADMM CC(C)NCc1nc(-c2cccc(OCC(=O)[O-])c2)no1 ZINC001647280160 1168518661 /nfs/dbraw/zinc/51/86/61/1168518661.db2.gz IJDZHDONXMEPGL-UHFFFAOYSA-N -1 1 291.307 1.698 20 0 CDADMM CC(C)(O)CCC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001573936262 1170833907 /nfs/dbraw/zinc/83/39/07/1170833907.db2.gz RTHRLGUZUWMZNX-UHFFFAOYSA-N -1 1 295.368 1.096 20 0 CDADMM O=C([O-])c1cccc(NC(=O)[C@@H]2CCCc3n[nH]nc32)c1 ZINC001574991934 1171077745 /nfs/dbraw/zinc/07/77/45/1171077745.db2.gz WWEMZBXMCUYPAY-SNVBAGLBSA-N -1 1 286.291 1.562 20 0 CDADMM COC(=O)c1cnc(SCn2nnc3ccccc32)[n-]1 ZINC001651933580 1171379592 /nfs/dbraw/zinc/37/95/92/1171379592.db2.gz FOWKGHYXMKMFLD-UHFFFAOYSA-N -1 1 289.320 1.691 20 0 CDADMM COC(=O)c1c[n-]c(SCn2nnc3ccccc32)n1 ZINC001651933580 1171379596 /nfs/dbraw/zinc/37/95/96/1171379596.db2.gz FOWKGHYXMKMFLD-UHFFFAOYSA-N -1 1 289.320 1.691 20 0 CDADMM Cc1cccc(C)c1OCC(=O)Nc1c[n-][nH]c1=O ZINC001654600297 1171622788 /nfs/dbraw/zinc/62/27/88/1171622788.db2.gz XQPKPEKDNYBBOO-UHFFFAOYSA-N -1 1 261.281 1.750 20 0 CDADMM Cc1nc(C(=O)Nc2c[n-][nH]c2=O)nn1-c1ccccc1 ZINC001654603633 1171625128 /nfs/dbraw/zinc/62/51/28/1171625128.db2.gz WVNNRLXGZKMEFH-UHFFFAOYSA-N -1 1 284.279 1.257 20 0 CDADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]C[C@@H](O)C1CC1 ZINC000071308192 1171716363 /nfs/dbraw/zinc/71/63/63/1171716363.db2.gz XXZUPZDBICYSTQ-SSDOTTSWSA-N -1 1 296.801 1.154 20 0 CDADMM CCOCc1ccc(Nc2ncncc2-c2nn[n-]n2)cc1 ZINC001578376947 1171890426 /nfs/dbraw/zinc/89/04/26/1171890426.db2.gz CEYQSNWROWLGLF-UHFFFAOYSA-N -1 1 297.322 1.937 20 0 CDADMM CC(=O)[C@H]1CCCCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001588889577 1173110795 /nfs/dbraw/zinc/11/07/95/1173110795.db2.gz SVFMNQLRUAPNJR-SNVBAGLBSA-N -1 1 289.295 1.043 20 0 CDADMM CC(=O)[C@H]1CCCCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001588889577 1173110800 /nfs/dbraw/zinc/11/08/00/1173110800.db2.gz SVFMNQLRUAPNJR-SNVBAGLBSA-N -1 1 289.295 1.043 20 0 CDADMM C[C@@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)C1CCC1 ZINC001588999410 1173118735 /nfs/dbraw/zinc/11/87/35/1173118735.db2.gz KKQNTYHRDHTNJE-SECBINFHSA-N -1 1 286.339 1.314 20 0 CDADMM C[C@@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)C1CCC1 ZINC001588999410 1173118740 /nfs/dbraw/zinc/11/87/40/1173118740.db2.gz KKQNTYHRDHTNJE-SECBINFHSA-N -1 1 286.339 1.314 20 0 CDADMM CC(C(=O)NCc1ccnc(-c2nnn[n-]2)c1)=C1CCC1 ZINC001588998907 1173118846 /nfs/dbraw/zinc/11/88/46/1173118846.db2.gz HCSBHAOVANCSMT-UHFFFAOYSA-N -1 1 284.323 1.378 20 0 CDADMM CC(C(=O)NCc1ccnc(-c2nn[n-]n2)c1)=C1CCC1 ZINC001588998907 1173118853 /nfs/dbraw/zinc/11/88/53/1173118853.db2.gz HCSBHAOVANCSMT-UHFFFAOYSA-N -1 1 284.323 1.378 20 0 CDADMM CC(C)(C)[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589105127 1173124428 /nfs/dbraw/zinc/12/44/28/1173124428.db2.gz PTYKEEBVWLVTBJ-LLVKDONJSA-N -1 1 286.339 1.522 20 0 CDADMM CC(C)(C)[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589105127 1173124432 /nfs/dbraw/zinc/12/44/32/1173124432.db2.gz PTYKEEBVWLVTBJ-LLVKDONJSA-N -1 1 286.339 1.522 20 0 CDADMM CC(C)(C)C1CN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001589105859 1173125026 /nfs/dbraw/zinc/12/50/26/1173125026.db2.gz ZBUPWLIVPRIGQC-UHFFFAOYSA-N -1 1 258.329 1.744 20 0 CDADMM CC(C)(C)C1CN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001589105859 1173125028 /nfs/dbraw/zinc/12/50/28/1173125028.db2.gz ZBUPWLIVPRIGQC-UHFFFAOYSA-N -1 1 258.329 1.744 20 0 CDADMM CC(C)(C)n1cc(Nc2cc(-c3nnn[n-]3)ncn2)cn1 ZINC001589260260 1173131652 /nfs/dbraw/zinc/13/16/52/1173131652.db2.gz CEWQNCMPKRXOJE-UHFFFAOYSA-N -1 1 285.315 1.352 20 0 CDADMM CC(C)(C)n1cc(Nc2cc(-c3nn[n-]n3)ncn2)cn1 ZINC001589260260 1173131655 /nfs/dbraw/zinc/13/16/55/1173131655.db2.gz CEWQNCMPKRXOJE-UHFFFAOYSA-N -1 1 285.315 1.352 20 0 CDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001589490891 1173147912 /nfs/dbraw/zinc/14/79/12/1173147912.db2.gz MUEKRRSZDJTDGC-PELKAZGASA-N -1 1 275.316 1.211 20 0 CDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001589490891 1173147915 /nfs/dbraw/zinc/14/79/15/1173147915.db2.gz MUEKRRSZDJTDGC-PELKAZGASA-N -1 1 275.316 1.211 20 0 CDADMM CC(C)[C@H]1C[C@@H]1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001589502074 1173150197 /nfs/dbraw/zinc/15/01/97/1173150197.db2.gz MKNWYFQEDUVHGA-RQJHMYQMSA-N -1 1 278.341 1.554 20 0 CDADMM CC(C)[C@H]1C[C@@H]1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001589502074 1173150198 /nfs/dbraw/zinc/15/01/98/1173150198.db2.gz MKNWYFQEDUVHGA-RQJHMYQMSA-N -1 1 278.341 1.554 20 0 CDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001589879436 1173193669 /nfs/dbraw/zinc/19/36/69/1173193669.db2.gz PNNDEZOTLTUJEI-MRVPVSSYSA-N -1 1 261.333 1.751 20 0 CDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001589879436 1173193673 /nfs/dbraw/zinc/19/36/73/1173193673.db2.gz PNNDEZOTLTUJEI-MRVPVSSYSA-N -1 1 261.333 1.751 20 0 CDADMM C[C@@H](NCc1csc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001589972486 1173219644 /nfs/dbraw/zinc/21/96/44/1173219644.db2.gz GOUJDSJUSFMTTC-RXMQYKEDSA-N -1 1 277.275 1.969 20 0 CDADMM C[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ccc[nH]1 ZINC001589981847 1173222178 /nfs/dbraw/zinc/22/21/78/1173222178.db2.gz USKQRIYTOHATFY-SSDOTTSWSA-N -1 1 256.273 1.158 20 0 CDADMM C[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ccc[nH]1 ZINC001589981847 1173222185 /nfs/dbraw/zinc/22/21/85/1173222185.db2.gz USKQRIYTOHATFY-SSDOTTSWSA-N -1 1 256.273 1.158 20 0 CDADMM C[C@H](O)C(C)(C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001589993103 1173223632 /nfs/dbraw/zinc/22/36/32/1173223632.db2.gz LDJBZMNSOTYGQX-BYPYZUCNSA-N -1 1 288.764 1.548 20 0 CDADMM CC1(C)CC[C@@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001590088955 1173252055 /nfs/dbraw/zinc/25/20/55/1173252055.db2.gz LSPFQHRUNVNUPB-SSDOTTSWSA-N -1 1 275.316 1.355 20 0 CDADMM C[C@@]1(CNC(=O)c2coc(-c3nnn[n-]3)c2)CC1(F)F ZINC001590130972 1173266530 /nfs/dbraw/zinc/26/65/30/1173266530.db2.gz HSYYIMBNIPYLPR-JTQLQIEISA-N -1 1 283.238 1.235 20 0 CDADMM C[C@@]1(CNC(=O)c2coc(-c3nn[n-]n3)c2)CC1(F)F ZINC001590130972 1173266537 /nfs/dbraw/zinc/26/65/37/1173266537.db2.gz HSYYIMBNIPYLPR-JTQLQIEISA-N -1 1 283.238 1.235 20 0 CDADMM C[C@@]1(CNC(=O)c2ccc(-c3nnn[n-]3)s2)CC1(F)F ZINC001590132421 1173267474 /nfs/dbraw/zinc/26/74/74/1173267474.db2.gz OVUUPSCMHICHMW-JTQLQIEISA-N -1 1 299.306 1.703 20 0 CDADMM C[C@@]1(CNC(=O)c2ccc(-c3nn[n-]n3)s2)CC1(F)F ZINC001590132421 1173267477 /nfs/dbraw/zinc/26/74/77/1173267477.db2.gz OVUUPSCMHICHMW-JTQLQIEISA-N -1 1 299.306 1.703 20 0 CDADMM C[C@]1(COC(=O)c2ccc(-c3nnn[n-]3)s2)C[C@H]1F ZINC001590135190 1173270991 /nfs/dbraw/zinc/27/09/91/1173270991.db2.gz BHXJMEHWAKFZFE-LDYMZIIASA-N -1 1 282.300 1.833 20 0 CDADMM C[C@]1(COC(=O)c2ccc(-c3nn[n-]n3)s2)C[C@H]1F ZINC001590135190 1173270994 /nfs/dbraw/zinc/27/09/94/1173270994.db2.gz BHXJMEHWAKFZFE-LDYMZIIASA-N -1 1 282.300 1.833 20 0 CDADMM C[C@@]1(O)CCCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590150354 1173273837 /nfs/dbraw/zinc/27/38/37/1173273837.db2.gz IUMVXQMZYDAYIL-CYBMUJFWSA-N -1 1 274.328 1.003 20 0 CDADMM C[C@@]1(O)CCCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590150354 1173273842 /nfs/dbraw/zinc/27/38/42/1173273842.db2.gz IUMVXQMZYDAYIL-CYBMUJFWSA-N -1 1 274.328 1.003 20 0 CDADMM CC1=CCCN(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001590161044 1173278786 /nfs/dbraw/zinc/27/87/86/1173278786.db2.gz SNBKFEMXDQCPGJ-UHFFFAOYSA-N -1 1 262.342 1.475 20 0 CDADMM CC1=CCCN(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001590161044 1173278792 /nfs/dbraw/zinc/27/87/92/1173278792.db2.gz SNBKFEMXDQCPGJ-UHFFFAOYSA-N -1 1 262.342 1.475 20 0 CDADMM CC1=C(C)CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001590159452 1173279615 /nfs/dbraw/zinc/27/96/15/1173279615.db2.gz HJYFQMXHCUCCIJ-UHFFFAOYSA-N -1 1 284.323 1.444 20 0 CDADMM CC1=C(C)CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001590159452 1173279617 /nfs/dbraw/zinc/27/96/17/1173279617.db2.gz HJYFQMXHCUCCIJ-UHFFFAOYSA-N -1 1 284.323 1.444 20 0 CDADMM C[C@H]1CCC[C@@H]1CC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001590247388 1173316885 /nfs/dbraw/zinc/31/68/85/1173316885.db2.gz JUPWJMWQZNFZGS-JGVFFNPUSA-N -1 1 275.316 1.355 20 0 CDADMM C[C@@H]1CCC[C@H]1CC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001590247389 1173317237 /nfs/dbraw/zinc/31/72/37/1173317237.db2.gz JUPWJMWQZNFZGS-SFYZADRCSA-N -1 1 275.316 1.355 20 0 CDADMM C[C@H]1CN(C(=O)c2ccsc2-c2nnn[n-]2)CCCO1 ZINC001590300090 1173344490 /nfs/dbraw/zinc/34/44/90/1173344490.db2.gz NNBCZNJQOOZLPW-QMMMGPOBSA-N -1 1 293.352 1.179 20 0 CDADMM C[C@H]1CN(C(=O)c2ccsc2-c2nn[n-]n2)CCCO1 ZINC001590300090 1173344497 /nfs/dbraw/zinc/34/44/97/1173344497.db2.gz NNBCZNJQOOZLPW-QMMMGPOBSA-N -1 1 293.352 1.179 20 0 CDADMM C[C@H]1COCC[C@H]1OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590325904 1173359449 /nfs/dbraw/zinc/35/94/49/1173359449.db2.gz VMBZNQQCXAHDES-JGVFFNPUSA-N -1 1 278.268 1.042 20 0 CDADMM C[C@@H]1c2ccccc2CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001590338293 1173365112 /nfs/dbraw/zinc/36/51/12/1173365112.db2.gz OYUNZPBOXNLBGH-SNVBAGLBSA-N -1 1 293.334 1.780 20 0 CDADMM C[C@@H]1c2ccccc2CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001590338293 1173365119 /nfs/dbraw/zinc/36/51/19/1173365119.db2.gz OYUNZPBOXNLBGH-SNVBAGLBSA-N -1 1 293.334 1.780 20 0 CDADMM CC[C@@](C)(NCc1ccc(-c2nn[n-]n2)s1)C(=O)OC ZINC001590384129 1173383220 /nfs/dbraw/zinc/38/32/20/1173383220.db2.gz KQJUOUOXUADQBQ-GFCCVEGCSA-N 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/nfs/dbraw/zinc/44/97/28/1173449728.db2.gz GONSYRGWDXJCLE-RYUDHWBXSA-N -1 1 288.355 1.656 20 0 CDADMM CC[C@@H]1COC(C)(C)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001590521910 1173450040 /nfs/dbraw/zinc/45/00/40/1173450040.db2.gz CCGJSPSHBMZORA-SECBINFHSA-N -1 1 289.343 1.051 20 0 CDADMM CC/C=C/CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590532450 1173455711 /nfs/dbraw/zinc/45/57/11/1173455711.db2.gz VLBMPENCYDULQH-ONEGZZNKSA-N -1 1 271.328 1.912 20 0 CDADMM CC/C=C/CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590532450 1173455714 /nfs/dbraw/zinc/45/57/14/1173455714.db2.gz VLBMPENCYDULQH-ONEGZZNKSA-N -1 1 271.328 1.912 20 0 CDADMM CCCCN(C(=O)c1coc(-c2nnn[n-]2)c1)C1CC1 ZINC001590597454 1173471002 /nfs/dbraw/zinc/47/10/02/1173471002.db2.gz CPBFEAFVDZVVBH-UHFFFAOYSA-N -1 1 275.312 1.864 20 0 CDADMM CCCCN(C(=O)c1coc(-c2nn[n-]n2)c1)C1CC1 ZINC001590597454 1173471006 /nfs/dbraw/zinc/47/10/06/1173471006.db2.gz CPBFEAFVDZVVBH-UHFFFAOYSA-N -1 1 275.312 1.864 20 0 CDADMM CCCOCC(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001590644976 1173480822 /nfs/dbraw/zinc/48/08/22/1173480822.db2.gz PUDLVVWNFCBBOF-UHFFFAOYSA-N -1 1 282.325 1.398 20 0 CDADMM CCN(Cc1ccc(C)cc1)c1cnc(-c2nnn[n-]2)cn1 ZINC001590719450 1173500580 /nfs/dbraw/zinc/50/05/80/1173500580.db2.gz RWRDXVJUGSFULZ-UHFFFAOYSA-N -1 1 295.350 1.992 20 0 CDADMM CCN(Cc1ccc(C)cc1)c1cnc(-c2nn[n-]n2)cn1 ZINC001590719450 1173500586 /nfs/dbraw/zinc/50/05/86/1173500586.db2.gz RWRDXVJUGSFULZ-UHFFFAOYSA-N -1 1 295.350 1.992 20 0 CDADMM CCN(c1snc(Cl)c1-c1nnn[n-]1)[C@@H](C)CO ZINC001590726002 1173501742 /nfs/dbraw/zinc/50/17/42/1173501742.db2.gz ZPCXPKNWNNZMBK-YFKPBYRVSA-N -1 1 288.764 1.184 20 0 CDADMM CCN(c1snc(Cl)c1-c1nn[n-]n1)[C@@H](C)CO ZINC001590726002 1173501745 /nfs/dbraw/zinc/50/17/45/1173501745.db2.gz ZPCXPKNWNNZMBK-YFKPBYRVSA-N -1 1 288.764 1.184 20 0 CDADMM CCOC(C)(C)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001590780950 1173508404 /nfs/dbraw/zinc/50/84/04/1173508404.db2.gz UNDLXJCNYPHDFY-UHFFFAOYSA-N -1 1 291.359 1.446 20 0 CDADMM CCOC(C)(C)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001590780950 1173508409 /nfs/dbraw/zinc/50/84/09/1173508409.db2.gz UNDLXJCNYPHDFY-UHFFFAOYSA-N -1 1 291.359 1.446 20 0 CDADMM CCS[C@H]1CCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590849942 1173526129 /nfs/dbraw/zinc/52/61/29/1173526129.db2.gz DFSSMGQLLWSWNH-BDAKNGLRSA-N -1 1 291.384 1.165 20 0 CDADMM CC[C@@H]1CC[C@@H](C)N(c2cc(-c3nnn[n-]3)nc(C)n2)C1 ZINC001590858056 1173527276 /nfs/dbraw/zinc/52/72/76/1173527276.db2.gz ULZPKZNXFIOXSN-MWLCHTKSSA-N -1 1 287.371 1.980 20 0 CDADMM CC[C@@H]1CC[C@@H](C)N(c2cc(-c3nn[n-]n3)nc(C)n2)C1 ZINC001590858056 1173527283 /nfs/dbraw/zinc/52/72/83/1173527283.db2.gz ULZPKZNXFIOXSN-MWLCHTKSSA-N -1 1 287.371 1.980 20 0 CDADMM CCc1ccc(CN(C)c2cncc(-c3nnn[n-]3)n2)cc1 ZINC001590889514 1173537134 /nfs/dbraw/zinc/53/71/34/1173537134.db2.gz RCXWEJZVLNYBRS-UHFFFAOYSA-N -1 1 295.350 1.856 20 0 CDADMM CCc1ccc(CN(C)c2cncc(-c3nn[n-]n3)n2)cc1 ZINC001590889514 1173537139 /nfs/dbraw/zinc/53/71/39/1173537139.db2.gz RCXWEJZVLNYBRS-UHFFFAOYSA-N -1 1 295.350 1.856 20 0 CDADMM CCc1ccc(Cn2cc(C)cc(-c3nn[n-]n3)c2=O)cc1 ZINC001590889952 1173537362 /nfs/dbraw/zinc/53/73/62/1173537362.db2.gz CESLWSQTHNBOOR-UHFFFAOYSA-N -1 1 295.346 1.948 20 0 CDADMM CCc1nc(Sc2ncco2)cc(-c2nnn[n-]2)n1 ZINC001590923996 1173542924 /nfs/dbraw/zinc/54/29/24/1173542924.db2.gz OUZXIYBENCSCGI-UHFFFAOYSA-N -1 1 275.297 1.358 20 0 CDADMM CCc1nc(Sc2ncco2)cc(-c2nn[n-]n2)n1 ZINC001590923996 1173542930 /nfs/dbraw/zinc/54/29/30/1173542930.db2.gz OUZXIYBENCSCGI-UHFFFAOYSA-N -1 1 275.297 1.358 20 0 CDADMM CCc1ncc(NCc2csc(-c3nn[n-]n3)c2)cn1 ZINC001590926227 1173543620 /nfs/dbraw/zinc/54/36/20/1173543620.db2.gz LPHYRCZJSATBGO-UHFFFAOYSA-N -1 1 287.352 1.893 20 0 CDADMM CCn1nc(C)c(CNc2nc(-c3nn[n-]n3)ccc2C)n1 ZINC001590965370 1173552443 /nfs/dbraw/zinc/55/24/43/1173552443.db2.gz IJGUXMVBCWXOLP-UHFFFAOYSA-N -1 1 299.342 1.102 20 0 CDADMM CN(C(=O)c1csc(-c2nn[n-]n2)c1)[C@@H]1CCSC1 ZINC001590998762 1173559267 /nfs/dbraw/zinc/55/92/67/1173559267.db2.gz XDZGQZWSWQTPTG-MRVPVSSYSA-N -1 1 295.393 1.506 20 0 CDADMM CN(C(=O)c1coc(-c2nnn[n-]2)c1)c1nccs1 ZINC001590998306 1173559321 /nfs/dbraw/zinc/55/93/21/1173559321.db2.gz HOFVDALOZJAUCU-UHFFFAOYSA-N -1 1 276.281 1.193 20 0 CDADMM CN(C(=O)c1coc(-c2nn[n-]n2)c1)c1nccs1 ZINC001590998306 1173559327 /nfs/dbraw/zinc/55/93/27/1173559327.db2.gz HOFVDALOZJAUCU-UHFFFAOYSA-N -1 1 276.281 1.193 20 0 CDADMM COC(=O)[C@H](CC1CC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591233005 1173596587 /nfs/dbraw/zinc/59/65/87/1173596587.db2.gz VVUFQMAPWXVGIL-JTQLQIEISA-N -1 1 288.311 1.015 20 0 CDADMM COC(=O)[C@H](CC1CC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591233005 1173596591 /nfs/dbraw/zinc/59/65/91/1173596591.db2.gz VVUFQMAPWXVGIL-JTQLQIEISA-N -1 1 288.311 1.015 20 0 CDADMM CO[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)nc(C)n2)C1(C)C ZINC001591349526 1173622452 /nfs/dbraw/zinc/62/24/52/1173622452.db2.gz RWOKLYSUCBGETM-ZJUUUORDSA-N -1 1 289.343 1.191 20 0 CDADMM CO[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)nc(C)n2)C1(C)C ZINC001591349526 1173622455 /nfs/dbraw/zinc/62/24/55/1173622455.db2.gz RWOKLYSUCBGETM-ZJUUUORDSA-N -1 1 289.343 1.191 20 0 CDADMM COc1ccc(C=O)cc1Oc1ccncc1-c1nn[n-]n1 ZINC001591582354 1173670734 /nfs/dbraw/zinc/67/07/34/1173670734.db2.gz MQJGKKFNPGSKMR-UHFFFAOYSA-N -1 1 297.274 1.875 20 0 CDADMM COc1ccc(Nc2ncncc2-c2nn[n-]n2)c(OC)c1 ZINC001591617401 1173674577 /nfs/dbraw/zinc/67/45/77/1173674577.db2.gz IXFDXJZEPYUOCF-UHFFFAOYSA-N -1 1 299.294 1.418 20 0 CDADMM C[C@@H](O)CSc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001591731662 1173692423 /nfs/dbraw/zinc/69/24/23/1173692423.db2.gz PXRNAUIADMKFTH-GSVOUGTGSA-N -1 1 277.762 1.450 20 0 CDADMM C[C@@H](O)CSc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591731662 1173692426 /nfs/dbraw/zinc/69/24/26/1173692426.db2.gz PXRNAUIADMKFTH-GSVOUGTGSA-N -1 1 277.762 1.450 20 0 CDADMM C[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)nc1)[C@@H]1CC12CC2 ZINC001591732340 1173694039 /nfs/dbraw/zinc/69/40/39/1173694039.db2.gz CBEAUUJTDYRBNO-KOLCDFICSA-N -1 1 299.334 1.536 20 0 CDADMM C[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)nc1)[C@@H]1CC12CC2 ZINC001591732340 1173694043 /nfs/dbraw/zinc/69/40/43/1173694043.db2.gz CBEAUUJTDYRBNO-KOLCDFICSA-N -1 1 299.334 1.536 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCC(F)(F)C2)n1 ZINC001591892867 1173740994 /nfs/dbraw/zinc/74/09/94/1173740994.db2.gz TZHNBAPYLXCAPF-QMMMGPOBSA-N -1 1 295.297 1.955 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCC(F)(F)C2)n1 ZINC001591892867 1173740998 /nfs/dbraw/zinc/74/09/98/1173740998.db2.gz TZHNBAPYLXCAPF-QMMMGPOBSA-N -1 1 295.297 1.955 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(Cc2cc(C)nnc2C)c1C ZINC001591977572 1173760859 /nfs/dbraw/zinc/76/08/59/1173760859.db2.gz RFLVNKGGJRURER-UHFFFAOYSA-N -1 1 284.327 1.135 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2cc(C)nnc2C)c1C ZINC001591977572 1173760863 /nfs/dbraw/zinc/76/08/63/1173760863.db2.gz RFLVNKGGJRURER-UHFFFAOYSA-N -1 1 284.327 1.135 20 0 CDADMM Cc1cc(CSc2ccnc(-c3nnn[n-]3)c2)no1 ZINC001591973358 1173761901 /nfs/dbraw/zinc/76/19/01/1173761901.db2.gz TYALGEUDHIHFRH-UHFFFAOYSA-N -1 1 274.309 1.850 20 0 CDADMM Cc1cc(CSc2ccnc(-c3nn[n-]n3)c2)no1 ZINC001591973358 1173761905 /nfs/dbraw/zinc/76/19/05/1173761905.db2.gz TYALGEUDHIHFRH-UHFFFAOYSA-N -1 1 274.309 1.850 20 0 CDADMM Cc1cc(N2CC[C@@]3(CC3(F)F)C2)cc(-c2nnn[n-]2)n1 ZINC001592003739 1173769785 /nfs/dbraw/zinc/76/97/85/1173769785.db2.gz ILXQBBWUXIGZJH-GFCCVEGCSA-N -1 1 292.293 1.806 20 0 CDADMM Cc1cc(N2CC[C@@]3(CC3(F)F)C2)cc(-c2nn[n-]n2)n1 ZINC001592003739 1173769787 /nfs/dbraw/zinc/76/97/87/1173769787.db2.gz ILXQBBWUXIGZJH-GFCCVEGCSA-N -1 1 292.293 1.806 20 0 CDADMM Cc1cc(NC[C@H]2CC[C@@H](O)C2)nc(-c2nnn[n-]2)c1 ZINC001592044956 1173784538 /nfs/dbraw/zinc/78/45/38/1173784538.db2.gz UMXKLGJOBHSCOF-VHSXEESVSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cc(NC[C@H]2CC[C@@H](O)C2)nc(-c2nn[n-]n2)c1 ZINC001592044956 1173784542 /nfs/dbraw/zinc/78/45/42/1173784542.db2.gz UMXKLGJOBHSCOF-VHSXEESVSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@H](C)[C@H](CO)C1 ZINC001592111028 1173802640 /nfs/dbraw/zinc/80/26/40/1173802640.db2.gz YOQLAKUJFKAGGE-ONGXEEELSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(NCC2(CCO)CC2)c(-c2nnn[n-]2)n1 ZINC001592182993 1173825055 /nfs/dbraw/zinc/82/50/55/1173825055.db2.gz IOKQOEMWJRCFKD-UHFFFAOYSA-N -1 1 274.328 1.145 20 0 CDADMM Cc1cccc(C)c1Cn1cc(-c2nn[n-]n2)nn1 ZINC001592223327 1173833416 /nfs/dbraw/zinc/83/34/16/1173833416.db2.gz APGZPHGMYZCIHH-UHFFFAOYSA-N -1 1 255.285 1.123 20 0 CDADMM Cc1cccc(C)c1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001592224272 1173833581 /nfs/dbraw/zinc/83/35/81/1173833581.db2.gz OUIPUZJTMKEIHF-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccc2c(c1)[C@@H](Nc1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001592201661 1173834428 /nfs/dbraw/zinc/83/44/28/1173834428.db2.gz YBKAJNKQCDXNNW-LBPRGKRZSA-N -1 1 293.334 1.486 20 0 CDADMM Cc1conc1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001592312270 1173852191 /nfs/dbraw/zinc/85/21/91/1173852191.db2.gz XAZONIPYVBARBB-UHFFFAOYSA-N -1 1 297.731 1.885 20 0 CDADMM Cc1conc1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001592312270 1173852195 /nfs/dbraw/zinc/85/21/95/1173852195.db2.gz XAZONIPYVBARBB-UHFFFAOYSA-N -1 1 297.731 1.885 20 0 CDADMM Cc1[nH]nc(NC(=O)CCC2CC2)c1-c1nn[n-]n1 ZINC001592327541 1173855481 /nfs/dbraw/zinc/85/54/81/1173855481.db2.gz FAYDNYJIZXETKI-UHFFFAOYSA-N -1 1 261.289 1.027 20 0 CDADMM Cc1[nH]nc(NC(=O)C2(C3CC3)CCC2)c1-c1nn[n-]n1 ZINC001592327690 1173855496 /nfs/dbraw/zinc/85/54/96/1173855496.db2.gz LYSSQGPJCBFLDD-UHFFFAOYSA-N -1 1 287.327 1.417 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](C)C[C@H]2C)n1 ZINC001592339782 1173861395 /nfs/dbraw/zinc/86/13/95/1173861395.db2.gz CVTYPMLBAXAMIT-RKDXNWHRSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](C)C[C@H]2C)n1 ZINC001592339782 1173861398 /nfs/dbraw/zinc/86/13/98/1173861398.db2.gz CVTYPMLBAXAMIT-RKDXNWHRSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1nc(Nc2cnn(C(F)F)c2)cc(-c2nnn[n-]2)n1 ZINC001592399029 1173881853 /nfs/dbraw/zinc/88/18/53/1173881853.db2.gz ZFJVMUVKZMAFGD-UHFFFAOYSA-N -1 1 293.241 1.300 20 0 CDADMM Cc1nc(Nc2cnn(C(F)F)c2)cc(-c2nn[n-]n2)n1 ZINC001592399029 1173881857 /nfs/dbraw/zinc/88/18/57/1173881857.db2.gz ZFJVMUVKZMAFGD-UHFFFAOYSA-N -1 1 293.241 1.300 20 0 CDADMM Cc1nccnc1COc1ccc(F)nc1-c1nn[n-]n1 ZINC001592420027 1173883842 /nfs/dbraw/zinc/88/38/42/1173883842.db2.gz MBXLNDRQBOASKA-UHFFFAOYSA-N -1 1 287.258 1.078 20 0 CDADMM Cc1nn(C)cc1-c1sc(-c2nn[n-]n2)nc1C ZINC001592432284 1173886584 /nfs/dbraw/zinc/88/65/84/1173886584.db2.gz XPSQJCODYOPKKM-UHFFFAOYSA-N -1 1 261.314 1.341 20 0 CDADMM Cc1nn(C)c(C)c1CCNc1ccnc(-c2nnn[n-]2)c1 ZINC001592428085 1173886601 /nfs/dbraw/zinc/88/66/01/1173886601.db2.gz GVERTRJBEHTVIL-UHFFFAOYSA-N -1 1 298.354 1.267 20 0 CDADMM Cc1nn(C)c(C)c1CCNc1ccnc(-c2nn[n-]n2)c1 ZINC001592428085 1173886607 /nfs/dbraw/zinc/88/66/07/1173886607.db2.gz GVERTRJBEHTVIL-UHFFFAOYSA-N -1 1 298.354 1.267 20 0 CDADMM Cc1nsc(N(C)C(=O)C2(F)CC2)c1-c1nnn[n-]1 ZINC001592468637 1173895733 /nfs/dbraw/zinc/89/57/33/1173895733.db2.gz OUJFDASAZYKUNI-UHFFFAOYSA-N -1 1 282.304 1.097 20 0 CDADMM Cc1nsc(N(C)C(=O)C2(F)CC2)c1-c1nn[n-]n1 ZINC001592468637 1173895737 /nfs/dbraw/zinc/89/57/37/1173895737.db2.gz OUJFDASAZYKUNI-UHFFFAOYSA-N -1 1 282.304 1.097 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)C[C@@H]1CC1(C)C ZINC001592495238 1173905635 /nfs/dbraw/zinc/90/56/35/1173905635.db2.gz ISYYGQKTLGZXOU-VIFPVBQESA-N -1 1 289.339 1.886 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)C[C@@H]1CC1(C)C ZINC001592495238 1173905641 /nfs/dbraw/zinc/90/56/41/1173905641.db2.gz ISYYGQKTLGZXOU-VIFPVBQESA-N -1 1 289.339 1.886 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CS[C@@H](C)C1 ZINC001592503904 1173907818 /nfs/dbraw/zinc/90/78/18/1173907818.db2.gz ZOZFQNKDWCOFHH-XPUUQOCRSA-N -1 1 293.352 1.392 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CS[C@@H](C)C1 ZINC001592503904 1173907822 /nfs/dbraw/zinc/90/78/22/1173907822.db2.gz ZOZFQNKDWCOFHH-XPUUQOCRSA-N -1 1 293.352 1.392 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@]1(C)CC1(C)C ZINC001592503442 1173908493 /nfs/dbraw/zinc/90/84/93/1173908493.db2.gz USYCQZAKRQZRJH-CQSZACIVSA-N -1 1 289.339 1.934 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@]1(C)CC1(C)C ZINC001592503442 1173908497 /nfs/dbraw/zinc/90/84/97/1173908497.db2.gz USYCQZAKRQZRJH-CQSZACIVSA-N -1 1 289.339 1.934 20 0 CDADMM Clc1nc(COc2cccnc2-c2nnn[n-]2)cs1 ZINC001592541110 1173916051 /nfs/dbraw/zinc/91/60/51/1173916051.db2.gz TYOSIJYUJQZCMR-UHFFFAOYSA-N -1 1 294.727 1.951 20 0 CDADMM Clc1nc(COc2cccnc2-c2nn[n-]n2)cs1 ZINC001592541110 1173916055 /nfs/dbraw/zinc/91/60/55/1173916055.db2.gz TYOSIJYUJQZCMR-UHFFFAOYSA-N -1 1 294.727 1.951 20 0 CDADMM O=C(C[C@@H]1C=CCCC1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592812396 1173994902 /nfs/dbraw/zinc/99/49/02/1173994902.db2.gz HGUSVAQIXDIYEV-MRVPVSSYSA-N -1 1 273.300 1.275 20 0 CDADMM O=C(C[C@@H]1C=CCCC1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592812396 1173994907 /nfs/dbraw/zinc/99/49/07/1173994907.db2.gz HGUSVAQIXDIYEV-MRVPVSSYSA-N -1 1 273.300 1.275 20 0 CDADMM O=C(N[C@@H]1CC12CCCC2)c1cccc(-c2nnn[n-]2)n1 ZINC001592967041 1174008770 /nfs/dbraw/zinc/00/87/70/1174008770.db2.gz QETQQTOCTBUAOC-LLVKDONJSA-N -1 1 284.323 1.324 20 0 CDADMM O=C(N[C@@H]1CC12CCCC2)c1cccc(-c2nn[n-]n2)n1 ZINC001592967041 1174008775 /nfs/dbraw/zinc/00/87/75/1174008775.db2.gz QETQQTOCTBUAOC-LLVKDONJSA-N -1 1 284.323 1.324 20 0 CDADMM O=C(NCC[C@@H]1CC1(F)F)c1cccc(-c2nnn[n-]2)n1 ZINC001593060375 1174018559 /nfs/dbraw/zinc/01/85/59/1174018559.db2.gz QPUZZIJIVZICSI-SSDOTTSWSA-N -1 1 294.265 1.037 20 0 CDADMM O=C(NCC[C@@H]1CC1(F)F)c1cccc(-c2nn[n-]n2)n1 ZINC001593060375 1174018564 /nfs/dbraw/zinc/01/85/64/1174018564.db2.gz QPUZZIJIVZICSI-SSDOTTSWSA-N -1 1 294.265 1.037 20 0 CDADMM O=C(NCc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC001593138182 1174023836 /nfs/dbraw/zinc/02/38/36/1174023836.db2.gz WMNAXPZAASWLBM-UHFFFAOYSA-N -1 1 298.281 1.331 20 0 CDADMM O=C(NCc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC001593138182 1174023844 /nfs/dbraw/zinc/02/38/44/1174023844.db2.gz WMNAXPZAASWLBM-UHFFFAOYSA-N -1 1 298.281 1.331 20 0 CDADMM O=C(Nc1ccc(F)nc1)c1cccc(-c2nnn[n-]2)n1 ZINC001593234627 1174036894 /nfs/dbraw/zinc/03/68/94/1174036894.db2.gz NPSFAIBZSUFWRY-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(Nc1ccc(F)nc1)c1cccc(-c2nn[n-]n2)n1 ZINC001593234627 1174036900 /nfs/dbraw/zinc/03/69/00/1174036900.db2.gz NPSFAIBZSUFWRY-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccsc1Cl ZINC001593259476 1174042887 /nfs/dbraw/zinc/04/28/87/1174042887.db2.gz ANZLZCXGWQAKQY-UHFFFAOYSA-N -1 1 295.715 1.557 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@@]2(CC2(F)F)C1 ZINC001593340258 1174069563 /nfs/dbraw/zinc/06/95/63/1174069563.db2.gz IBFOCXRWENELDL-LLVKDONJSA-N -1 1 295.249 1.331 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@@]2(CC2(F)F)C1 ZINC001593340258 1174069570 /nfs/dbraw/zinc/06/95/70/1174069570.db2.gz IBFOCXRWENELDL-LLVKDONJSA-N -1 1 295.249 1.331 20 0 CDADMM O=Cc1ccc(Oc2nnccc2-c2nnn[n-]2)cc1F ZINC001593415678 1174075307 /nfs/dbraw/zinc/07/53/07/1174075307.db2.gz DPODEGKFYPUWSK-UHFFFAOYSA-N -1 1 286.226 1.401 20 0 CDADMM O=Cc1ccc(Oc2nnccc2-c2nn[n-]n2)cc1F ZINC001593415678 1174075315 /nfs/dbraw/zinc/07/53/15/1174075315.db2.gz DPODEGKFYPUWSK-UHFFFAOYSA-N -1 1 286.226 1.401 20 0 CDADMM O=c1c2ccccc2sn1Cc1ccc(-c2nnn[n-]2)o1 ZINC001593493589 1174086310 /nfs/dbraw/zinc/08/63/10/1174086310.db2.gz CAYLOPMIZYATEU-UHFFFAOYSA-N -1 1 299.315 1.884 20 0 CDADMM O=c1c2ccccc2sn1Cc1ccc(-c2nn[n-]n2)o1 ZINC001593493589 1174086315 /nfs/dbraw/zinc/08/63/15/1174086315.db2.gz CAYLOPMIZYATEU-UHFFFAOYSA-N -1 1 299.315 1.884 20 0 CDADMM O=c1c2sccc2c(-c2nn[n-]n2)cn1C/C=C\Cl ZINC001593493587 1174086572 /nfs/dbraw/zinc/08/65/72/1174086572.db2.gz CALLPMKDQPTDDT-IWQZZHSRSA-N -1 1 293.739 1.996 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ncn1CC1CCC(F)(F)CC1 ZINC001593493500 1174086905 /nfs/dbraw/zinc/08/69/05/1174086905.db2.gz IXPQWSKKJNQXEH-UHFFFAOYSA-N -1 1 296.281 1.249 20 0 CDADMM Oc1ccc2c(c1)[C@@H](Nc1cc(-c3nnn[n-]3)ncn1)CC2 ZINC001593540630 1174111958 /nfs/dbraw/zinc/11/19/58/1174111958.db2.gz YMXPTHZRTPRKPA-NSHDSACASA-N -1 1 295.306 1.462 20 0 CDADMM Oc1ccc2c(c1)[C@@H](Nc1cc(-c3nn[n-]n3)ncn1)CC2 ZINC001593540630 1174111964 /nfs/dbraw/zinc/11/19/64/1174111964.db2.gz YMXPTHZRTPRKPA-NSHDSACASA-N -1 1 295.306 1.462 20 0 CDADMM c1cnc2cc(Oc3ccnc(-c4nn[n-]n4)n3)ccc2n1 ZINC001593562878 1174137896 /nfs/dbraw/zinc/13/78/96/1174137896.db2.gz LQKZZLSQZMBZJM-UHFFFAOYSA-N -1 1 292.262 1.392 20 0 CDADMM c1nc(N[C@H]2CCCC3(CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001593590638 1174158303 /nfs/dbraw/zinc/15/83/03/1174158303.db2.gz ATVHWQWFCKIWSK-VIFPVBQESA-N -1 1 271.328 1.791 20 0 CDADMM c1nc(N[C@H]2CCCC3(CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001593590638 1174158305 /nfs/dbraw/zinc/15/83/05/1174158305.db2.gz ATVHWQWFCKIWSK-VIFPVBQESA-N -1 1 271.328 1.791 20 0 CDADMM c1nn(CC2CC2)cc1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001593592649 1174159371 /nfs/dbraw/zinc/15/93/71/1174159371.db2.gz ALZXMWUGTFXIOC-UHFFFAOYSA-N -1 1 283.299 1.007 20 0 CDADMM c1nn(CC2CC2)cc1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001593592649 1174159377 /nfs/dbraw/zinc/15/93/77/1174159377.db2.gz ALZXMWUGTFXIOC-UHFFFAOYSA-N -1 1 283.299 1.007 20 0 CDADMM C[C@H](NC(=O)c1ccc(F)c([O-])c1)c1ncon1 ZINC001596423164 1174237992 /nfs/dbraw/zinc/23/79/92/1174237992.db2.gz LEHNZFBWQPUPFK-LURJTMIESA-N -1 1 251.217 1.405 20 0 CDADMM Cc1cc(C(=O)[O-])oc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC001600131114 1174371628 /nfs/dbraw/zinc/37/16/28/1174371628.db2.gz KHRFOZKFXOOVNI-SECBINFHSA-N -1 1 289.291 1.817 20 0 CDADMM Cc1cc2cc(CNCC(=O)NCC(=O)[O-])oc2cc1C ZINC001600308557 1174441564 /nfs/dbraw/zinc/44/15/64/1174441564.db2.gz GSJOZEKMLRVFDJ-UHFFFAOYSA-N -1 1 290.319 1.340 20 0 CDADMM Cc1ccc(CN2CCSC[C@H]2CO)cc1C(=O)[O-] ZINC001600414319 1174469574 /nfs/dbraw/zinc/46/95/74/1174469574.db2.gz LNYGRNRBLWDONL-GFCCVEGCSA-N -1 1 281.377 1.603 20 0 CDADMM Cc1ccccc1[C@H](C(=O)[O-])N1C[C@@H](C)S(=O)[C@H](C)C1 ZINC001600566951 1174508993 /nfs/dbraw/zinc/50/89/93/1174508993.db2.gz IQRJBDMDVAFTOO-YRGRVCCFSA-N -1 1 295.404 1.962 20 0 CDADMM Cc1cnc(=S)n(CN2CC[C@@H](C(=O)[O-])[C@H]2C)c1 ZINC001600616211 1174530110 /nfs/dbraw/zinc/53/01/10/1174530110.db2.gz CSJVQYLGYFQYPA-NXEZZACHSA-N -1 1 267.354 1.674 20 0 CDADMM Cc1oc(CN[C@]23CC(=O)N[C@H]2CCCC3)cc1C(=O)[O-] ZINC001600854212 1174645448 /nfs/dbraw/zinc/64/54/48/1174645448.db2.gz DBHHORMZCVFBLW-SWLSCSKDSA-N -1 1 292.335 1.577 20 0 CDADMM Cn1cc(CNCc2cccc(F)n2)cc1C(=O)[O-] ZINC001600954357 1174678583 /nfs/dbraw/zinc/67/85/83/1174678583.db2.gz JAPGMTQSQULYAN-UHFFFAOYSA-N -1 1 263.272 1.547 20 0 CDADMM C[C@H](Nc1ccnc(-c2nnn[n-]2)c1)c1cccnc1 ZINC000103589314 1174682392 /nfs/dbraw/zinc/68/23/92/1174682392.db2.gz JMYKLERIENWYCU-VIFPVBQESA-N -1 1 267.296 1.830 20 0 CDADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)c1)c1cccnc1 ZINC000103589314 1174682396 /nfs/dbraw/zinc/68/23/96/1174682396.db2.gz JMYKLERIENWYCU-VIFPVBQESA-N -1 1 267.296 1.830 20 0 CDADMM Cn1nc(C(=O)[O-])cc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC001601001727 1174697744 /nfs/dbraw/zinc/69/77/44/1174697744.db2.gz AAAPJHKKASTGLK-UHFFFAOYSA-N -1 1 285.263 1.247 20 0 CDADMM O=C([O-])c1ccccc1NC(=O)CN1CC[C@@H]2C[C@@H]2C1 ZINC001601308696 1174831230 /nfs/dbraw/zinc/83/12/30/1174831230.db2.gz OIYSAOALJKMHFA-GHMZBOCLSA-N -1 1 274.320 1.665 20 0 CDADMM O=C([O-])[C@@H](CNS(=O)(=O)c1ccccc1O)CC1CC1 ZINC001601654968 1174932239 /nfs/dbraw/zinc/93/22/39/1174932239.db2.gz HHIDTYDAUCFKPE-SNVBAGLBSA-N -1 1 299.348 1.171 20 0 CDADMM O=C([O-])[C@@H](N[C@H](CO)C1CC1)c1c(F)cccc1Cl ZINC001601666158 1174936240 /nfs/dbraw/zinc/93/62/40/1174936240.db2.gz DRVCMPZQKMSPME-PWSUYJOCSA-N -1 1 287.718 1.965 20 0 CDADMM O=C([O-])C1(CS(=O)(=O)NCC(F)F)CCCCC1 ZINC001601712869 1174964508 /nfs/dbraw/zinc/96/45/08/1174964508.db2.gz HGVBDCPEDSBTCH-UHFFFAOYSA-N -1 1 285.312 1.206 20 0 CDADMM O=C([O-])[C@H]1[C@H](CNc2cnn(-c3ccncc3)c2)C1(F)F ZINC001601754394 1174988363 /nfs/dbraw/zinc/98/83/63/1174988363.db2.gz UJHVQCGMPLHYIK-WDEREUQCSA-N -1 1 294.261 1.645 20 0 CDADMM O=C([O-])[C@H]1CC[C@@H](NCc2nc(C(F)F)no2)C1 ZINC001601796209 1175009511 /nfs/dbraw/zinc/00/95/11/1175009511.db2.gz NTYUYOUUQGPWDV-NTSWFWBYSA-N -1 1 261.228 1.350 20 0 CDADMM O=C([O-])CC1(CN2CCN(CC(F)F)CC2)CC1 ZINC001601915457 1175062796 /nfs/dbraw/zinc/06/27/96/1175062796.db2.gz NBJXOSNIFSAFPF-UHFFFAOYSA-N -1 1 262.300 1.124 20 0 CDADMM O=C([O-])Cc1c[nH]n(Cc2ccccc2F)c1=O ZINC001601942387 1175076365 /nfs/dbraw/zinc/07/63/65/1175076365.db2.gz ZSONMLXISAMMEQ-SECBINFHSA-N -1 1 250.229 1.245 20 0 CDADMM O=C([O-])[C@@H]1CN(Cn2cc(Cl)cn2)C[C@H]1C1CC1 ZINC001602190604 1175156510 /nfs/dbraw/zinc/15/65/10/1175156510.db2.gz ZFBDNXPQMFOLBX-WDEREUQCSA-N -1 1 269.732 1.537 20 0 CDADMM O=C([O-])c1cc(Br)oc1CNC1CSC1 ZINC001602241437 1175177949 /nfs/dbraw/zinc/17/79/49/1175177949.db2.gz LKSBDJOWRRIWDY-UHFFFAOYSA-N -1 1 292.154 1.945 20 0 CDADMM O=C([O-])c1ccc(C[N@H+]2CCC[C@H](c3n[n-]c(=O)o3)C2)o1 ZINC001602339215 1175213240 /nfs/dbraw/zinc/21/32/40/1175213240.db2.gz UHVCMBZRACYESH-QMMMGPOBSA-N -1 1 293.279 1.446 20 0 CDADMM O=C([O-])c1ccc(F)c(CN2CCC[C@@H](OCCO)C2)c1 ZINC001602364055 1175223926 /nfs/dbraw/zinc/22/39/26/1175223926.db2.gz MCJUKMZPULAEAK-CYBMUJFWSA-N -1 1 297.326 1.497 20 0 CDADMM O=C([O-])c1ccc(F)c(CN2CCC[C@H]2c2nnc[nH]2)c1 ZINC001602363847 1175224001 /nfs/dbraw/zinc/22/40/01/1175224001.db2.gz IETBYNWJIGAVSG-LBPRGKRZSA-N -1 1 290.298 1.979 20 0 CDADMM O=C([O-])c1ccccc1CN1CCO[C@]2(CCCOC2)C1 ZINC001602468800 1175250755 /nfs/dbraw/zinc/25/07/55/1175250755.db2.gz NVSYVGZNOASZLR-MRXNPFEDSA-N -1 1 291.347 1.766 20 0 CDADMM O=C([O-])c1ccnc(NC(=O)c2cnc3nc[nH]c3c2)c1 ZINC001602482702 1175255467 /nfs/dbraw/zinc/25/54/67/1175255467.db2.gz DYNGXAZVJUWWEZ-UHFFFAOYSA-N -1 1 283.247 1.303 20 0 CDADMM O=C([O-])c1occc1CN[C@]1(CO)CCc2ccccc21 ZINC001602589668 1175310260 /nfs/dbraw/zinc/31/02/60/1175310260.db2.gz HVGZDZSHIQLBHY-INIZCTEOSA-N -1 1 287.315 1.901 20 0 CDADMM Brc1cnc(-c2nn[n-]n2)c(NC2CCC2)c1 ZINC001602679004 1175350005 /nfs/dbraw/zinc/35/00/05/1175350005.db2.gz GZOSSAXRBCPJGR-UHFFFAOYSA-N -1 1 295.144 1.989 20 0 CDADMM Brc1cnc(-c2nnn[n-]2)c(NC2CCC2)c1 ZINC001602679004 1175349999 /nfs/dbraw/zinc/34/99/99/1175349999.db2.gz GZOSSAXRBCPJGR-UHFFFAOYSA-N -1 1 295.144 1.989 20 0 CDADMM C[C@@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1cccs1 ZINC001603025235 1175478708 /nfs/dbraw/zinc/47/87/08/1175478708.db2.gz PSBULYVDAFDNGZ-ZCFIWIBFSA-N -1 1 289.324 1.394 20 0 CDADMM C[C@@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1cccs1 ZINC001603025235 1175478712 /nfs/dbraw/zinc/47/87/12/1175478712.db2.gz PSBULYVDAFDNGZ-ZCFIWIBFSA-N -1 1 289.324 1.394 20 0 CDADMM CC(C)(CC(F)(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001603136761 1175498743 /nfs/dbraw/zinc/49/87/43/1175498743.db2.gz BCBYVRCMMBTOIJ-UHFFFAOYSA-N -1 1 287.249 1.800 20 0 CDADMM CC(C)(CC(F)(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001603136761 1175498748 /nfs/dbraw/zinc/49/87/48/1175498748.db2.gz BCBYVRCMMBTOIJ-UHFFFAOYSA-N -1 1 287.249 1.800 20 0 CDADMM CC(C)[C@@H](O)C1(CNc2cccnc2-c2nnn[n-]2)CC1 ZINC001603231464 1175521951 /nfs/dbraw/zinc/52/19/51/1175521951.db2.gz VRNKULNTGYCCJD-GFCCVEGCSA-N -1 1 288.355 1.471 20 0 CDADMM CC(C)[C@@H](O)C1(CNc2cccnc2-c2nn[n-]n2)CC1 ZINC001603231464 1175521959 /nfs/dbraw/zinc/52/19/59/1175521959.db2.gz VRNKULNTGYCCJD-GFCCVEGCSA-N -1 1 288.355 1.471 20 0 CDADMM CC(F)(F)C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001603591689 1175575042 /nfs/dbraw/zinc/57/50/42/1175575042.db2.gz GMFMVJUUOFZXAJ-UHFFFAOYSA-N -1 1 283.242 1.061 20 0 CDADMM CC1(C)C[C@@]1(C)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001603764262 1175622135 /nfs/dbraw/zinc/62/21/35/1175622135.db2.gz DIEKEVJOSPRNCH-CYBMUJFWSA-N -1 1 272.312 1.180 20 0 CDADMM CC1(C)C[C@@]1(C)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001603764262 1175622139 /nfs/dbraw/zinc/62/21/39/1175622139.db2.gz DIEKEVJOSPRNCH-CYBMUJFWSA-N -1 1 272.312 1.180 20 0 CDADMM CC1(C)CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001603772249 1175626530 /nfs/dbraw/zinc/62/65/30/1175626530.db2.gz LYNXRIUOFSDROF-QMMMGPOBSA-N -1 1 259.317 1.069 20 0 CDADMM CC1(F)CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001603809449 1175639571 /nfs/dbraw/zinc/63/95/71/1175639571.db2.gz HZUJOOZJTVMREJ-UHFFFAOYSA-N -1 1 274.712 1.525 20 0 CDADMM CC1(F)CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001603809449 1175639575 /nfs/dbraw/zinc/63/95/75/1175639575.db2.gz HZUJOOZJTVMREJ-UHFFFAOYSA-N -1 1 274.712 1.525 20 0 CDADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001603864965 1175659325 /nfs/dbraw/zinc/65/93/25/1175659325.db2.gz MWAUGGLUYGNDHK-VGRMVHKJSA-N -1 1 290.352 1.554 20 0 CDADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001603864965 1175659328 /nfs/dbraw/zinc/65/93/28/1175659328.db2.gz MWAUGGLUYGNDHK-VGRMVHKJSA-N -1 1 290.352 1.554 20 0 CDADMM C[C@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001603877836 1175666059 /nfs/dbraw/zinc/66/60/59/1175666059.db2.gz BTZMTUULOAPYGR-DTWKUNHWSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001603877836 1175666065 /nfs/dbraw/zinc/66/60/65/1175666065.db2.gz BTZMTUULOAPYGR-DTWKUNHWSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@H]1CC[C@@H](COc2cccc(F)c2-c2nnn[n-]2)O1 ZINC001603878745 1175666785 /nfs/dbraw/zinc/66/67/85/1175666785.db2.gz YTXCGOLJWCJVCR-IUCAKERBSA-N -1 1 278.287 1.952 20 0 CDADMM C[C@H]1CC[C@@H](COc2cccc(F)c2-c2nn[n-]n2)O1 ZINC001603878745 1175666787 /nfs/dbraw/zinc/66/67/87/1175666787.db2.gz YTXCGOLJWCJVCR-IUCAKERBSA-N -1 1 278.287 1.952 20 0 CDADMM C[C@@H]1CCC[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)[C@@H]1C ZINC001603887838 1175670014 /nfs/dbraw/zinc/67/00/14/1175670014.db2.gz SEHZPYZLPDZVNF-OPRDCNLKSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CCC[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)[C@@H]1C ZINC001603887838 1175670017 /nfs/dbraw/zinc/67/00/17/1175670017.db2.gz SEHZPYZLPDZVNF-OPRDCNLKSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@H]1CCSCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603910461 1175682526 /nfs/dbraw/zinc/68/25/26/1175682526.db2.gz ORDBMNQSTJZVSP-QMMMGPOBSA-N -1 1 293.352 1.427 20 0 CDADMM C[C@H]1CCSCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603910461 1175682541 /nfs/dbraw/zinc/68/25/41/1175682541.db2.gz ORDBMNQSTJZVSP-QMMMGPOBSA-N -1 1 293.352 1.427 20 0 CDADMM C[C@@H]1COC2(CCC2)CN1c1cccc(-c2nnn[n-]2)n1 ZINC001603946761 1175694230 /nfs/dbraw/zinc/69/42/30/1175694230.db2.gz JPMYVRCIULFASE-SNVBAGLBSA-N -1 1 286.339 1.410 20 0 CDADMM C[C@@H]1COC2(CCC2)CN1c1cccc(-c2nn[n-]n2)n1 ZINC001603946761 1175694233 /nfs/dbraw/zinc/69/42/33/1175694233.db2.gz JPMYVRCIULFASE-SNVBAGLBSA-N -1 1 286.339 1.410 20 0 CDADMM CC[C@@H](C)CCC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001604005006 1175716534 /nfs/dbraw/zinc/71/65/34/1175716534.db2.gz LUUAXPCMUIHXJB-SSDOTTSWSA-N -1 1 263.305 1.112 20 0 CDADMM CC(C)c1nc(CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)n[nH]1 ZINC001604021159 1175723592 /nfs/dbraw/zinc/72/35/92/1175723592.db2.gz QMEMPGLUBILBLH-VHSXEESVSA-N -1 1 294.355 1.435 20 0 CDADMM CC[C@@H](CCOC)OC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001604030424 1175725821 /nfs/dbraw/zinc/72/58/21/1175725821.db2.gz VCSARERJPFHIRR-JTQLQIEISA-N -1 1 291.311 1.234 20 0 CDADMM CC[C@@H](CCOC)OC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001604030424 1175725823 /nfs/dbraw/zinc/72/58/23/1175725823.db2.gz VCSARERJPFHIRR-JTQLQIEISA-N -1 1 291.311 1.234 20 0 CDADMM CC[C@H](Nc1ncncc1-c1nn[n-]n1)[C@H]1CCCOC1 ZINC001604064963 1175742805 /nfs/dbraw/zinc/74/28/05/1175742805.db2.gz UFFBPUODAIWVKO-ONGXEEELSA-N -1 1 289.343 1.274 20 0 CDADMM CC[C@H]1CCCC[C@@H]1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001604101313 1175760792 /nfs/dbraw/zinc/76/07/92/1175760792.db2.gz RBMQXHJMNOBBKI-IUCAKERBSA-N -1 1 289.343 1.502 20 0 CDADMM CC[C@@H]1CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001604105388 1175764400 /nfs/dbraw/zinc/76/44/00/1175764400.db2.gz FDTXBGRYKLQYOU-SECBINFHSA-N -1 1 272.312 1.134 20 0 CDADMM CC[C@@H]1CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001604105388 1175764406 /nfs/dbraw/zinc/76/44/06/1175764406.db2.gz FDTXBGRYKLQYOU-SECBINFHSA-N -1 1 272.312 1.134 20 0 CDADMM CC[C@H]1CN(c2snc(C)c2-c2nn[n-]n2)CCS1 ZINC001604111797 1175768434 /nfs/dbraw/zinc/76/84/34/1175768434.db2.gz KLIQNIWNZYYOBN-QMMMGPOBSA-N -1 1 296.425 1.963 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc([O-])cc2F)CCCO1 ZINC000229787082 1178135658 /nfs/dbraw/zinc/13/56/58/1178135658.db2.gz ZPWVXWYVRWCXDK-VIFPVBQESA-N -1 1 253.273 1.782 20 0 CDADMM CCNC(=O)N1CC[C@H](NC(=O)c2ccc([O-])cc2F)C1 ZINC000164897685 1180844927 /nfs/dbraw/zinc/84/49/27/1180844927.db2.gz JHYLAAMXVBLROZ-VIFPVBQESA-N -1 1 295.314 1.065 20 0 CDADMM C[C@H](CCS(C)(=O)=O)NC(=O)c1ccc([O-])cc1F ZINC000164944718 1180875519 /nfs/dbraw/zinc/87/55/19/1180875519.db2.gz UWWSHSKRVQQEGK-MRVPVSSYSA-N -1 1 289.328 1.084 20 0 CDADMM CCCN(CC(=O)OCC)C(=O)c1ccc([O-])cc1F ZINC000165233532 1180972647 /nfs/dbraw/zinc/97/26/47/1180972647.db2.gz GSOOVKXOERZRLW-UHFFFAOYSA-N -1 1 283.299 1.947 20 0 CDADMM CC=C(C)C(=O)N[C@H](CNCc1n[nH]c(=O)[n-]1)CC(C)C ZINC001753732677 1185320775 /nfs/dbraw/zinc/32/07/75/1185320775.db2.gz IXDQBNBDUVCMLX-VQNWOSHQSA-N -1 1 295.387 1.097 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@@H](C)[C@H]1C ZINC001606166219 1163795170 /nfs/dbraw/zinc/79/51/70/1163795170.db2.gz QAAAFDORZOLQPM-HTQZYQBOSA-N -1 1 275.312 1.639 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@@H](C)[C@H]1C ZINC001606166219 1163795178 /nfs/dbraw/zinc/79/51/78/1163795178.db2.gz QAAAFDORZOLQPM-HTQZYQBOSA-N -1 1 275.312 1.639 20 0 CDADMM CN[C@H](C)c1cn([C@H]2CCC[C@H](C(=O)[O-])C2)nn1 ZINC001606294752 1163839517 /nfs/dbraw/zinc/83/95/17/1163839517.db2.gz GLSDCMXHCARKQV-UTLUCORTSA-N -1 1 252.318 1.374 20 0 CDADMM CNCc1ncc(-c2ccccc2CC(=O)[O-])cn1 ZINC001606299156 1163842732 /nfs/dbraw/zinc/84/27/32/1163842732.db2.gz UTFBBMGLAPYXEX-UHFFFAOYSA-N -1 1 257.293 1.490 20 0 CDADMM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1CC[C@H]1CCCCO1 ZINC001606384171 1163884524 /nfs/dbraw/zinc/88/45/24/1163884524.db2.gz BPQWLFFAAWUHGA-UPJWGTAASA-N -1 1 299.367 1.284 20 0 CDADMM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(CC=C(Cl)Cl)C1 ZINC001606393952 1163888185 /nfs/dbraw/zinc/88/81/85/1163888185.db2.gz KITLIWLXBQNUGD-YUMQZZPRSA-N -1 1 296.150 1.644 20 0 CDADMM COC(=O)[C@H]1CCN(Cc2cc(C(=O)[O-])co2)[C@H]1C ZINC001606412459 1163894437 /nfs/dbraw/zinc/89/44/37/1163894437.db2.gz ZXARLSDFVMANQZ-KWQFWETISA-N -1 1 267.281 1.361 20 0 CDADMM O=C(N[C@]12C[C@H]1CCCC2)c1ccc(-c2nnn[n-]2)s1 ZINC001606645269 1163944216 /nfs/dbraw/zinc/94/42/16/1163944216.db2.gz SDHMLWCHYWPDLG-AMIZOPFISA-N -1 1 289.364 1.991 20 0 CDADMM O=C(N[C@]12C[C@H]1CCCC2)c1ccc(-c2nn[n-]n2)s1 ZINC001606645269 1163944223 /nfs/dbraw/zinc/94/42/23/1163944223.db2.gz SDHMLWCHYWPDLG-AMIZOPFISA-N -1 1 289.364 1.991 20 0 CDADMM COC[C@H](NCC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)C1CC1 ZINC001606815366 1164000429 /nfs/dbraw/zinc/00/04/29/1164000429.db2.gz XPVAPMRFNRJHOW-NSHDSACASA-N -1 1 294.351 1.527 20 0 CDADMM O=C(Nc1ccc(Cl)nn1)c1coc(-c2nnn[n-]2)c1 ZINC001606920774 1164030401 /nfs/dbraw/zinc/03/04/01/1164030401.db2.gz AVRIVCSZYLNPRO-UHFFFAOYSA-N -1 1 291.658 1.155 20 0 CDADMM O=C(Nc1ccc(Cl)nn1)c1coc(-c2nn[n-]n2)c1 ZINC001606920774 1164030408 /nfs/dbraw/zinc/03/04/08/1164030408.db2.gz AVRIVCSZYLNPRO-UHFFFAOYSA-N -1 1 291.658 1.155 20 0 CDADMM O=C(OCCC1CC1)c1csc(-c2nnn[n-]2)c1 ZINC001606967941 1164044349 /nfs/dbraw/zinc/04/43/49/1164044349.db2.gz BRCKGQDNYGWWGJ-UHFFFAOYSA-N -1 1 264.310 1.885 20 0 CDADMM O=C(OCCC1CC1)c1csc(-c2nn[n-]n2)c1 ZINC001606967941 1164044357 /nfs/dbraw/zinc/04/43/57/1164044357.db2.gz BRCKGQDNYGWWGJ-UHFFFAOYSA-N -1 1 264.310 1.885 20 0 CDADMM COCc1noc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)n1 ZINC001606981017 1164046702 /nfs/dbraw/zinc/04/67/02/1164046702.db2.gz HVLBVPQSTFOLBO-DCAQKATOSA-N -1 1 295.339 1.291 20 0 CDADMM COc1ccc([C@@H]2NC(=S)N=C(C)C2C(=O)[O-])c(C)c1 ZINC001607238013 1164135805 /nfs/dbraw/zinc/13/58/05/1164135805.db2.gz OGVCJKYEONYQQS-LBPRGKRZSA-N -1 1 292.360 1.881 20 0 CDADMM Cc1c(C(=O)[O-])cc(CN[C@@H](C)c2ccnnc2)n1C ZINC001607516886 1164216001 /nfs/dbraw/zinc/21/60/01/1164216001.db2.gz CFONGHVZNZNNRE-VIFPVBQESA-N -1 1 274.324 1.673 20 0 CDADMM Cc1c(NC(=O)N2CCN[C@@H](C)C2)cccc1C(=O)[O-] ZINC001607544512 1164222077 /nfs/dbraw/zinc/22/20/77/1164222077.db2.gz OFUKWBDMMZCBHQ-VIFPVBQESA-N -1 1 277.324 1.519 20 0 CDADMM Cc1cc(C(=O)[O-])cc(C(=O)O[C@H](C)c2nnc[nH]2)c1 ZINC001607590058 1164233341 /nfs/dbraw/zinc/23/33/41/1164233341.db2.gz JFZVINIVVQNBGC-MRVPVSSYSA-N -1 1 275.264 1.729 20 0 CDADMM Cc1ccoc1CN(C)C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001607899120 1164326821 /nfs/dbraw/zinc/32/68/21/1164326821.db2.gz KCDHYCXMWQJGKF-WPRPVWTQSA-N -1 1 259.252 1.986 20 0 CDADMM Cc1sc(C)c(C(=O)[O-])c1NC(=O)NCc1c[nH]nn1 ZINC001608067259 1164398370 /nfs/dbraw/zinc/39/83/70/1164398370.db2.gz JPBMKKRKQULFOG-UHFFFAOYSA-N -1 1 295.324 1.503 20 0 CDADMM O=C([O-])[C@H](CF)NC(=O)c1cccc(C(F)(F)F)c1O ZINC001608398539 1164507009 /nfs/dbraw/zinc/50/70/09/1164507009.db2.gz FVBJNJFNPAXPOS-ZETCQYMHSA-N -1 1 295.188 1.564 20 0 CDADMM CC(C)OCCON=c1ccc(Cl)c(-c2nnn[n-]2)[nH]1 ZINC001609101862 1164771998 /nfs/dbraw/zinc/77/19/98/1164771998.db2.gz QHQCLTDOLMYZBR-UHFFFAOYSA-N -1 1 298.734 1.684 20 0 CDADMM CC1(C)CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001609145845 1164792016 /nfs/dbraw/zinc/79/20/16/1164792016.db2.gz GBDLPTCLQKTSRU-UHFFFAOYSA-N -1 1 272.312 1.134 20 0 CDADMM CC1(C)CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001609145845 1164792021 /nfs/dbraw/zinc/79/20/21/1164792021.db2.gz GBDLPTCLQKTSRU-UHFFFAOYSA-N -1 1 272.312 1.134 20 0 CDADMM C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001609161564 1164809761 /nfs/dbraw/zinc/80/97/61/1164809761.db2.gz VZDDCCRHDZVKIR-RKDXNWHRSA-N -1 1 275.312 1.720 20 0 CDADMM C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001609161564 1164809769 /nfs/dbraw/zinc/80/97/69/1164809769.db2.gz VZDDCCRHDZVKIR-RKDXNWHRSA-N -1 1 275.312 1.720 20 0 CDADMM CC[C@@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001609199937 1164840479 /nfs/dbraw/zinc/84/04/79/1164840479.db2.gz JJPQMXCVUGYCOM-NXEZZACHSA-N -1 1 273.344 1.895 20 0 CDADMM CC[C@@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001609199937 1164840482 /nfs/dbraw/zinc/84/04/82/1164840482.db2.gz JJPQMXCVUGYCOM-NXEZZACHSA-N -1 1 273.344 1.895 20 0 CDADMM Fc1ccc(NCc2nc(-c3nnn[n-]3)cs2)cn1 ZINC001609491326 1164974404 /nfs/dbraw/zinc/97/44/04/1164974404.db2.gz XKRIOQCJNOPESS-UHFFFAOYSA-N -1 1 277.288 1.469 20 0 CDADMM Fc1ccc(NCc2nc(-c3nn[n-]n3)cs2)cn1 ZINC001609491326 1164974414 /nfs/dbraw/zinc/97/44/14/1164974414.db2.gz XKRIOQCJNOPESS-UHFFFAOYSA-N -1 1 277.288 1.469 20 0 CDADMM O=C(CCC(F)F)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001609521667 1164979495 /nfs/dbraw/zinc/97/94/95/1164979495.db2.gz FOYDHTHCRBWPGX-UHFFFAOYSA-N -1 1 283.238 1.556 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NC/C=C\C1CC1 ZINC001609867045 1165120175 /nfs/dbraw/zinc/12/01/75/1165120175.db2.gz HOYKMHBKUPPVEJ-ZZKXABKFSA-N -1 1 295.383 1.143 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)CCC(F)(F)F ZINC001609870089 1165122372 /nfs/dbraw/zinc/12/23/72/1165122372.db2.gz YNTNVPZZAUKDQO-SECBINFHSA-N -1 1 296.289 1.336 20 0 CDADMM CCc1oc(CN2C[C@H]3[C@H](CO)[C@H]3C2)cc1C(=O)[O-] ZINC001610079411 1165208286 /nfs/dbraw/zinc/20/82/86/1165208286.db2.gz VACNGIJMADQOAY-GDNZZTSVSA-N -1 1 265.309 1.210 20 0 CDADMM CN1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C(C)(C)C1 ZINC001610136306 1165232119 /nfs/dbraw/zinc/23/21/19/1165232119.db2.gz 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ZINC000105876510 270236455 /nfs/dbraw/zinc/23/64/55/270236455.db2.gz LNMVVGQGWKLOEK-UHFFFAOYSA-N -1 1 294.314 1.793 20 0 CDADMM C[C@@H]1CN(CCc2cccs2)C[C@@H](C(=O)[O-])O1 ZINC000530169191 271126975 /nfs/dbraw/zinc/12/69/75/271126975.db2.gz HPUCREKEQIKSSY-KOLCDFICSA-N -1 1 255.339 1.465 20 0 CDADMM C[C@@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001590231031 1173308437 /nfs/dbraw/zinc/30/84/37/1173308437.db2.gz OAUKQJIMFOFPFT-RKDXNWHRSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001590231031 1173308445 /nfs/dbraw/zinc/30/84/45/1173308445.db2.gz OAUKQJIMFOFPFT-RKDXNWHRSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccsc2-c2nnn[n-]2)[C@H]1C ZINC001590270432 1173333432 /nfs/dbraw/zinc/33/34/32/1173333432.db2.gz WPDZTDHMDVWERW-SFYZADRCSA-N -1 1 277.353 1.799 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccsc2-c2nn[n-]n2)[C@H]1C ZINC001590270432 1173333437 /nfs/dbraw/zinc/33/34/37/1173333437.db2.gz WPDZTDHMDVWERW-SFYZADRCSA-N -1 1 277.353 1.799 20 0 CDADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CCO1 ZINC001590312289 1173347140 /nfs/dbraw/zinc/34/71/40/1173347140.db2.gz MQGIZUVRTKUAJU-SSDOTTSWSA-N -1 1 280.719 1.140 20 0 CDADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CCO1 ZINC001590312289 1173347147 /nfs/dbraw/zinc/34/71/47/1173347147.db2.gz MQGIZUVRTKUAJU-SSDOTTSWSA-N -1 1 280.719 1.140 20 0 CDADMM C[C@H]1N(Cc2nc(-c3nnn[n-]3)cs2)CCOC1(C)C ZINC001590330831 1173360586 /nfs/dbraw/zinc/36/05/86/1173360586.db2.gz FYIJPNOTSOUULK-MRVPVSSYSA-N -1 1 294.384 1.323 20 0 CDADMM C[C@H]1N(Cc2nc(-c3nn[n-]n3)cs2)CCOC1(C)C ZINC001590330831 1173360593 /nfs/dbraw/zinc/36/05/93/1173360593.db2.gz FYIJPNOTSOUULK-MRVPVSSYSA-N -1 1 294.384 1.323 20 0 CDADMM CCC(=CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)CC ZINC001590359071 1173375090 /nfs/dbraw/zinc/37/50/90/1173375090.db2.gz MAFIENNOXPYDMJ-UHFFFAOYSA-N -1 1 261.289 1.275 20 0 CDADMM CC(C)c1ncncc1C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000283043864 278083035 /nfs/dbraw/zinc/08/30/35/278083035.db2.gz GZYGSFJKKCPVHM-NDENLUEZSA-N -1 1 296.334 1.508 20 0 CDADMM CC[C@@H](CCO)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001590439248 1173408102 /nfs/dbraw/zinc/40/81/02/1173408102.db2.gz MIBYYSPWHZUAPV-YFKPBYRVSA-N -1 1 288.764 1.550 20 0 CDADMM O=C(N[C@@H](CO)Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000132922948 279724215 /nfs/dbraw/zinc/72/42/15/279724215.db2.gz SYNSDNAQZMDMQY-CYBMUJFWSA-N -1 1 289.306 1.865 20 0 CDADMM O=C(c1ncccc1[O-])N1CCOc2c(F)cccc2C1 ZINC000369408187 280243047 /nfs/dbraw/zinc/24/30/47/280243047.db2.gz OOWUSHRSHYHPQT-UHFFFAOYSA-N -1 1 288.278 1.961 20 0 CDADMM CC[C@@H]1CN(C(=O)c2cc(F)ccc2[O-])C[C@H](C)[S@@]1=O ZINC000287600510 280383200 /nfs/dbraw/zinc/38/32/00/280383200.db2.gz YGODGWRHVFTFGT-YNCXGMNZSA-N -1 1 299.367 1.903 20 0 CDADMM CC(C)c1cc(N[C@H](C)CC(=O)[O-])nc(N(C)C)n1 ZINC000416424167 280566615 /nfs/dbraw/zinc/56/66/15/280566615.db2.gz AYKHFLAYCVFJAK-SECBINFHSA-N -1 1 266.345 1.363 20 0 CDADMM CC(C)OCC(C)(C)NC(=O)c1cncc([O-])c1 ZINC000396376466 280696854 /nfs/dbraw/zinc/69/68/54/280696854.db2.gz 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/nfs/dbraw/zinc/13/16/96/294131696.db2.gz QKYTXSGYMRXAGB-PDGQHHTCSA-N -1 1 273.340 1.796 20 0 CDADMM C[C@]1(CO)CCC[C@H]1NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000570230030 294200968 /nfs/dbraw/zinc/20/09/68/294200968.db2.gz GEVVINNCEPTGDT-BXUZGUMPSA-N -1 1 295.408 1.420 20 0 CDADMM CC[C@H](C)[C@H](NCc1ncccc1[O-])C(=O)OC ZINC000571773001 294503457 /nfs/dbraw/zinc/50/34/57/294503457.db2.gz UXHKZJQPTCJOSZ-CABZTGNLSA-N -1 1 252.314 1.465 20 0 CDADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)N2CC(C)C2)c1 ZINC000574583999 295024013 /nfs/dbraw/zinc/02/40/13/295024013.db2.gz SJJJJPJXTDEBRR-SNVBAGLBSA-N -1 1 292.335 1.458 20 0 CDADMM C[C@@H]1[C@H](C)OCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000151486729 297769715 /nfs/dbraw/zinc/76/97/15/297769715.db2.gz VMTDTNSIORWNQE-ZJUUUORDSA-N -1 1 287.319 1.173 20 0 CDADMM CCON(CC)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590818701 1173521115 /nfs/dbraw/zinc/52/11/15/1173521115.db2.gz HSWXGZAKYLAUFR-UHFFFAOYSA-N -1 1 275.316 1.312 20 0 CDADMM CN(C(=O)c1csc(-c2nn[n-]n2)c1)c1cccnc1 ZINC001590998759 1173560530 /nfs/dbraw/zinc/56/05/30/1173560530.db2.gz WSXOMNXVSHODPT-UHFFFAOYSA-N -1 1 286.320 1.600 20 0 CDADMM NC(=O)[C@@H]1CCCCN1Cc1cccc([O-])c1Cl ZINC000295013206 303295104 /nfs/dbraw/zinc/29/51/04/303295104.db2.gz VVGKMJOTYRIDJL-JTQLQIEISA-N -1 1 268.744 1.885 20 0 CDADMM CO[C@@H](C)CN(C)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001591323338 1173610998 /nfs/dbraw/zinc/61/09/98/1173610998.db2.gz XLTAPRUKJKFDHO-ZETCQYMHSA-N -1 1 281.341 1.035 20 0 CDADMM CO[C@@H](C)CN(C)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001591323338 1173610999 /nfs/dbraw/zinc/61/09/99/1173610999.db2.gz XLTAPRUKJKFDHO-ZETCQYMHSA-N -1 1 281.341 1.035 20 0 CDADMM COC[C@@H](COc1ccc(F)nc1-c1nnn[n-]1)C(C)C ZINC001591378150 1173635864 /nfs/dbraw/zinc/63/58/64/1173635864.db2.gz YELIELBBXCSYFM-VIFPVBQESA-N -1 1 295.318 1.698 20 0 CDADMM COC[C@@H](COc1ccc(F)nc1-c1nn[n-]n1)C(C)C ZINC001591378150 1173635871 /nfs/dbraw/zinc/63/58/71/1173635871.db2.gz YELIELBBXCSYFM-VIFPVBQESA-N -1 1 295.318 1.698 20 0 CDADMM CON(Cc1ccnc(-c2nnn[n-]2)c1)CC(C)(C)C ZINC001591467940 1173657339 /nfs/dbraw/zinc/65/73/39/1173657339.db2.gz CCKDWSNIEAJPIU-UHFFFAOYSA-N -1 1 276.344 1.671 20 0 CDADMM CON(Cc1ccnc(-c2nn[n-]n2)c1)CC(C)(C)C ZINC001591467940 1173657341 /nfs/dbraw/zinc/65/73/41/1173657341.db2.gz CCKDWSNIEAJPIU-UHFFFAOYSA-N -1 1 276.344 1.671 20 0 CDADMM CS[C@H](C)CC(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001591689531 1173680678 /nfs/dbraw/zinc/68/06/78/1173680678.db2.gz KITAAJBFISQTSW-SSDOTTSWSA-N -1 1 282.325 1.645 20 0 CDADMM CS[C@H](C)CC(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001591689531 1173680681 /nfs/dbraw/zinc/68/06/81/1173680681.db2.gz KITAAJBFISQTSW-SSDOTTSWSA-N -1 1 282.325 1.645 20 0 CDADMM CS[C@H](C)CC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001591689984 1173682748 /nfs/dbraw/zinc/68/27/48/1173682748.db2.gz SMHANCYYHDTYJI-RXMQYKEDSA-N -1 1 298.397 1.712 20 0 CDADMM CS[C@H](C)CC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001591689984 1173682754 /nfs/dbraw/zinc/68/27/54/1173682754.db2.gz SMHANCYYHDTYJI-RXMQYKEDSA-N -1 1 298.397 1.712 20 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/nfs/dbraw/zinc/00/39/00/316003900.db2.gz ZXWWLTXDASKBCM-UHFFFAOYSA-N -1 1 295.320 1.556 20 0 CDADMM C[C@H](NC(N)=O)c1noc(-c2ccc([O-])cc2F)n1 ZINC000350591937 316184063 /nfs/dbraw/zinc/18/40/63/316184063.db2.gz XQDLJEWXPVMOQC-YFKPBYRVSA-N -1 1 266.232 1.311 20 0 CDADMM Nc1ncncc1-c1noc(-c2cc(F)ccc2[O-])n1 ZINC000350813959 316207252 /nfs/dbraw/zinc/20/72/52/316207252.db2.gz JSPZMODZPUHYSI-UHFFFAOYSA-N -1 1 273.227 1.451 20 0 CDADMM O=c1ccccn1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350837150 316211387 /nfs/dbraw/zinc/21/13/87/316211387.db2.gz PKTMOWFUPWWNDP-UHFFFAOYSA-N -1 1 287.250 1.791 20 0 CDADMM CCc1nc(SCC(=O)NCC2CC2)[n-]c(=O)c1C ZINC000566498117 316617192 /nfs/dbraw/zinc/61/71/92/316617192.db2.gz AXVVKKZBZHIJEZ-UHFFFAOYSA-N -1 1 281.381 1.671 20 0 CDADMM CCO[C@@H]1C[C@H]1NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000576660255 317183373 /nfs/dbraw/zinc/18/33/73/317183373.db2.gz JOJRVSHECRXDOS-PSASIEDQSA-N -1 1 267.354 1.047 20 0 CDADMM O=C(Nc1nnn[n-]1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000577261011 317295663 /nfs/dbraw/zinc/29/56/63/317295663.db2.gz UYODDIPHAKSCCW-MNOVXSKESA-N -1 1 257.297 1.722 20 0 CDADMM O=C(Nc1nn[n-]n1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000577261011 317295666 /nfs/dbraw/zinc/29/56/66/317295666.db2.gz UYODDIPHAKSCCW-MNOVXSKESA-N -1 1 257.297 1.722 20 0 CDADMM CC[C@H]1CCCCN1Cc1cn(CC(=O)[O-])nn1 ZINC000577617658 317367153 /nfs/dbraw/zinc/36/71/53/317367153.db2.gz IHGFOPSYKHNPKD-NSHDSACASA-N -1 1 252.318 1.127 20 0 CDADMM O=C([O-])c1ccc(CN2CCOC[C@H]2C2CC2)cc1 ZINC000577618627 317368138 /nfs/dbraw/zinc/36/81/38/317368138.db2.gz NHSUNKVPGGBCIP-AWEZNQCLSA-N -1 1 261.321 1.996 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N(C)CCOC(C)(C)C ZINC001592109762 1173803124 /nfs/dbraw/zinc/80/31/24/1173803124.db2.gz AQOCTVNZCURKJD-UHFFFAOYSA-N -1 1 290.371 1.821 20 0 CDADMM Cc1ccnc(NC(=O)c2ccsc2-c2nnn[n-]2)c1 ZINC001592272810 1173842102 /nfs/dbraw/zinc/84/21/02/1173842102.db2.gz ODKUZPWBIVRZDE-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM Cc1ccnc(NC(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001592272810 1173842106 /nfs/dbraw/zinc/84/21/06/1173842106.db2.gz ODKUZPWBIVRZDE-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM Cc1conc1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001592311909 1173853031 /nfs/dbraw/zinc/85/30/31/1173853031.db2.gz JFNOANOQOJEOPB-UHFFFAOYSA-N -1 1 291.702 1.824 20 0 CDADMM Cc1conc1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001592311909 1173853037 /nfs/dbraw/zinc/85/30/37/1173853037.db2.gz JFNOANOQOJEOPB-UHFFFAOYSA-N -1 1 291.702 1.824 20 0 CDADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCn2cccn2)n1 ZINC001592353038 1173864078 /nfs/dbraw/zinc/86/40/78/1173864078.db2.gz FFPQPUSKZIAURB-UHFFFAOYSA-N -1 1 288.340 1.220 20 0 CDADMM COC(=O)c1c[n-]c(SCC[C@H]2CCCO2)n1 ZINC000278761660 533706534 /nfs/dbraw/zinc/70/65/34/533706534.db2.gz XJEOPJZTSWCRKC-MRVPVSSYSA-N -1 1 256.327 1.858 20 0 CDADMM CC[C@H](NC(=O)c1ccc(Cl)cc1[O-])[C@@H](C)O ZINC000387131402 323761154 /nfs/dbraw/zinc/76/11/54/323761154.db2.gz MCYIXTIACCSJJV-XCBNKYQSSA-N -1 1 257.717 1.935 20 0 CDADMM C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1ncccc1[O-] 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ZINC000672745151 482597108 /nfs/dbraw/zinc/59/71/08/482597108.db2.gz SQHXCOLPKKUAAN-UHFFFAOYSA-N -1 1 273.288 1.835 20 0 CDADMM CC(=O)NC[C@@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681032858 482663561 /nfs/dbraw/zinc/66/35/61/482663561.db2.gz UJKPFOQLWKDTIC-NSHDSACASA-N -1 1 294.326 1.520 20 0 CDADMM C[C@H](CNC(=O)c1cc(=O)n(C)[n-]1)[N@H+]1CCCC[C@@H]1C ZINC000666378071 482673126 /nfs/dbraw/zinc/67/31/26/482673126.db2.gz CNMIKLOARBKYMQ-WDEREUQCSA-N -1 1 280.372 1.118 20 0 CDADMM COc1ccnc(CN2CCC[C@@H](CC(=O)[O-])C2)c1OC ZINC000232197552 482736805 /nfs/dbraw/zinc/73/68/05/482736805.db2.gz DVXSCYJYWUXQNU-NSHDSACASA-N -1 1 294.351 1.786 20 0 CDADMM COc1ccc2[nH]nc(NC(=O)c3n[nH]c(C)c3[O-])c2c1 ZINC000677938714 482854986 /nfs/dbraw/zinc/85/49/86/482854986.db2.gz GURMLSAFXYOTOR-UHFFFAOYSA-N -1 1 287.279 1.561 20 0 CDADMM O=C(CCCCCc1ccc(F)cc1)NCc1nn[n-]n1 ZINC000681729607 482978225 /nfs/dbraw/zinc/97/82/25/482978225.db2.gz DYRWDGKSULLVBO-UHFFFAOYSA-N -1 1 291.330 1.758 20 0 CDADMM Cc1onc(N)c1S(=O)(=O)[N-]CCc1ccccc1C ZINC000685489804 483146258 /nfs/dbraw/zinc/14/62/58/483146258.db2.gz YAERFSYTKWWNMO-UHFFFAOYSA-N -1 1 295.364 1.395 20 0 CDADMM O=c1[n-]c(CN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)n[nH]1 ZINC000678715522 483148190 /nfs/dbraw/zinc/14/81/90/483148190.db2.gz VXYOGOHUKSWQTJ-RYUDHWBXSA-N -1 1 285.351 1.079 20 0 CDADMM C[C@@H]1CC[C@@H](C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)C1 ZINC000678959970 483234358 /nfs/dbraw/zinc/23/43/58/483234358.db2.gz DORWRPMNRQMUFD-RTXFEEFZSA-N -1 1 285.351 1.842 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2cccc3c2OCO3)c1[O-] ZINC000679910217 483471329 /nfs/dbraw/zinc/47/13/29/483471329.db2.gz GAAAKXKKIBCBHX-UHFFFAOYSA-N -1 1 261.237 1.405 20 0 CDADMM CCc1cc(=O)[n-]c(SCc2ccn(C)c(=O)c2)n1 ZINC000683454278 483528170 /nfs/dbraw/zinc/52/81/70/483528170.db2.gz HHJCSBBHDYKRHT-UHFFFAOYSA-N -1 1 277.349 1.736 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2ccn(-c3ccccc3)n2)c1[O-] ZINC000676689715 483560839 /nfs/dbraw/zinc/56/08/39/483560839.db2.gz HYTWEAZRHREPRY-UHFFFAOYSA-N -1 1 283.291 1.862 20 0 CDADMM C[C@@H](C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)N(C)C ZINC000671854931 483631286 /nfs/dbraw/zinc/63/12/86/483631286.db2.gz UEGUXLCSFCHKIY-QMMMGPOBSA-N -1 1 275.312 1.066 20 0 CDADMM Cc1[n-][nH]c2ncnc(=NC(=O)C3(C(C)C)CCC3)c1-2 ZINC001142646350 1160757762 /nfs/dbraw/zinc/75/77/62/1160757762.db2.gz IZOHREWFYAWMAM-UHFFFAOYSA-N -1 1 273.340 1.800 20 0 CDADMM CC(=CC(=O)N(C)C[C@@H](C)c1nn[n-]n1)c1ccccc1 ZINC000183404999 518415817 /nfs/dbraw/zinc/41/58/17/518415817.db2.gz GGDDIQCRMUWDPA-LMMOQWNQSA-N -1 1 285.351 1.865 20 0 CDADMM CCOC(=O)C[C@H](C)N(C)C(=O)c1cncc([O-])c1 ZINC000354597915 520869330 /nfs/dbraw/zinc/86/93/30/520869330.db2.gz JZJWLHJVFNGUON-VIFPVBQESA-N -1 1 266.297 1.201 20 0 CDADMM CC1CCC(N(C)C(=O)CN[C@@H](C(=O)[O-])C2CC2)CC1 ZINC000054522556 520930509 /nfs/dbraw/zinc/93/05/09/520930509.db2.gz WDLDCKKNBQAZDE-MMWSSPAHSA-N -1 1 282.384 1.476 20 0 CDADMM CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1ccc([O-])cc1F ZINC000182440957 521042519 /nfs/dbraw/zinc/04/25/19/521042519.db2.gz QHKCKIYKEUAWBN-IUCAKERBSA-N -1 1 283.299 1.849 20 0 CDADMM CCOc1ccccc1OCCCC(=O)Nc1nnn[n-]1 ZINC000060850206 521564582 /nfs/dbraw/zinc/56/45/82/521564582.db2.gz URWBYDMVAWWVOX-UHFFFAOYSA-N -1 1 291.311 1.396 20 0 CDADMM CCOc1ccccc1OCCCC(=O)Nc1nn[n-]n1 ZINC000060850206 521564589 /nfs/dbraw/zinc/56/45/89/521564589.db2.gz URWBYDMVAWWVOX-UHFFFAOYSA-N -1 1 291.311 1.396 20 0 CDADMM COC(=O)C1(CNC(=O)c2cncc([O-])c2)CCCCC1 ZINC000182920870 522829082 /nfs/dbraw/zinc/82/90/82/522829082.db2.gz XIDAEFSZOIKABX-UHFFFAOYSA-N -1 1 292.335 1.641 20 0 CDADMM CCn1c(CCNC(=O)c2cc[nH]c2)n[n-]c1=S ZINC000068449042 523183257 /nfs/dbraw/zinc/18/32/57/523183257.db2.gz NEAPHFAYRZKGRH-UHFFFAOYSA-N -1 1 265.342 1.261 20 0 CDADMM CO[C@@H]1CCC[C@@H]1CNC(=O)c1cncc([O-])c1 ZINC000340003456 523626950 /nfs/dbraw/zinc/62/69/50/523626950.db2.gz CTKJQKJKKMQSPQ-BXKDBHETSA-N -1 1 250.298 1.332 20 0 CDADMM C[C@H](CN(C)C(=O)c1cccc(F)c1F)c1nn[n-]n1 ZINC000183436143 524290652 /nfs/dbraw/zinc/29/06/52/524290652.db2.gz OSFCMFCRCJVKPK-SSDOTTSWSA-N -1 1 281.266 1.354 20 0 CDADMM C[C@@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1)c1cccs1 ZINC000222642783 525105081 /nfs/dbraw/zinc/10/50/81/525105081.db2.gz QHIBCAAFRSDNLW-GHMZBOCLSA-N -1 1 296.392 1.722 20 0 CDADMM CS[C@@H](C)CC(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000339194761 525786558 /nfs/dbraw/zinc/78/65/58/525786558.db2.gz NVCDTWTYIDAJBB-QMMMGPOBSA-N -1 1 285.369 1.623 20 0 CDADMM C[C@@H](O)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340933618 525817427 /nfs/dbraw/zinc/81/74/27/525817427.db2.gz RBXGLCNNYLNRKD-HTQZYQBOSA-N -1 1 295.763 1.917 20 0 CDADMM Cc1ccc2c([O-])c(C(=O)N[C@H](C)[C@H](C)CO)cnc2n1 ZINC000151161214 526134823 /nfs/dbraw/zinc/13/48/23/526134823.db2.gz KKHIPUYFTWFPOM-PSASIEDQSA-N -1 1 289.335 1.391 20 0 CDADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H](C)[C@H](C)CO)c2=O ZINC000151161214 526134828 /nfs/dbraw/zinc/13/48/28/526134828.db2.gz KKHIPUYFTWFPOM-PSASIEDQSA-N -1 1 289.335 1.391 20 0 CDADMM C[C@H]1CC(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C[C@H](C)C1 ZINC000365009020 526218041 /nfs/dbraw/zinc/21/80/41/526218041.db2.gz DUKTTZSXCVSUIW-CKYFFXLPSA-N -1 1 293.371 1.172 20 0 CDADMM Cc1cc(CN2CCN(CCC(=O)[O-])C[C@@H]2C)sn1 ZINC001600194778 1174400446 /nfs/dbraw/zinc/40/04/46/1174400446.db2.gz DWYLSSPLBUQJLE-NSHDSACASA-N -1 1 283.397 1.432 20 0 CDADMM CCOC(=O)C[C@@H](C)CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000287690279 528854243 /nfs/dbraw/zinc/85/42/43/528854243.db2.gz LWJAGVVNBLVUCL-SNVBAGLBSA-N -1 1 293.319 1.280 20 0 CDADMM CC[C@@H](C)[C@@H](NC(=O)c1ncc(C)cc1[O-])C(=O)OC ZINC000426450204 535664491 /nfs/dbraw/zinc/66/44/91/535664491.db2.gz XCZHHBHPJLXJFK-MWLCHTKSSA-N -1 1 280.324 1.413 20 0 CDADMM CC[C@@H](O)C[N-]S(=O)(=O)c1cccc(F)c1F ZINC000420742466 535814114 /nfs/dbraw/zinc/81/41/14/535814114.db2.gz IYRZQIHNRBUTHD-SSDOTTSWSA-N -1 1 265.281 1.014 20 0 CDADMM COc1ccc(=NCc2cn(-c3ccncc3)nc2C)[n-]n1 ZINC000428351586 536620764 /nfs/dbraw/zinc/62/07/64/536620764.db2.gz OGSILGHAHLDKFH-UHFFFAOYSA-N 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/nfs/dbraw/zinc/92/13/23/1174921323.db2.gz DSYDUTNYVHYRKX-SECBINFHSA-N -1 1 287.241 1.671 20 0 CDADMM O=C([O-])[C@@H](CF)NCc1ccc(N2CCCC2)nc1 ZINC001601648868 1174930197 /nfs/dbraw/zinc/93/01/97/1174930197.db2.gz GFEYJBLDINPKEX-LLVKDONJSA-N -1 1 267.304 1.194 20 0 CDADMM O=C([O-])[C@H](CNC(=O)[C@@H]1CSCN1)CC1CCCC1 ZINC001601651378 1174931530 /nfs/dbraw/zinc/93/15/30/1174931530.db2.gz DJEGVHFEZAEOEJ-QWRGUYRKSA-N -1 1 286.397 1.046 20 0 CDADMM C[C@@]1(CNC(=O)c2nnc3ccccc3c2O)CCOC1 ZINC000733364106 575117231 /nfs/dbraw/zinc/11/72/31/575117231.db2.gz QXABPAGNPIZVFR-HNNXBMFYSA-N -1 1 287.319 1.492 20 0 CDADMM O=C(OCCC[N-]C(=O)C(F)(F)F)[C@@H]1C[C@@H]1C1CC1 ZINC000774967061 575256606 /nfs/dbraw/zinc/25/66/06/575256606.db2.gz IJCQWXLZSGPEFK-RKDXNWHRSA-N -1 1 279.258 1.644 20 0 CDADMM COC(=O)[C@@H](NC(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000769933866 575398725 /nfs/dbraw/zinc/39/87/25/575398725.db2.gz JBBGPSAXJOHZCB-NSHDSACASA-N -1 1 283.711 1.727 20 0 CDADMM Cc1ccnc(Cl)c1OS(=O)(=O)c1c[n-]cn1 ZINC000770701529 575489179 /nfs/dbraw/zinc/48/91/79/575489179.db2.gz WVOHLHXJIKIACN-UHFFFAOYSA-N -1 1 273.701 1.534 20 0 CDADMM CC(C)C[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735761386 575508292 /nfs/dbraw/zinc/50/82/92/575508292.db2.gz NNTAARQLXHAVNT-SECBINFHSA-N -1 1 275.312 1.853 20 0 CDADMM CC(C)C[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735761386 575508293 /nfs/dbraw/zinc/50/82/93/575508293.db2.gz NNTAARQLXHAVNT-SECBINFHSA-N -1 1 275.312 1.853 20 0 CDADMM C[C@H]1C[C@H]1c1ccc(CNc2nccnc2-c2nnn[n-]2)o1 ZINC000736241290 575597657 /nfs/dbraw/zinc/59/76/57/575597657.db2.gz WTZRGYMAGOKFOX-WCBMZHEXSA-N -1 1 297.322 1.985 20 0 CDADMM C[C@H]1C[C@H]1c1ccc(CNc2nccnc2-c2nn[n-]n2)o1 ZINC000736241290 575597658 /nfs/dbraw/zinc/59/76/58/575597658.db2.gz WTZRGYMAGOKFOX-WCBMZHEXSA-N -1 1 297.322 1.985 20 0 CDADMM C[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000736280306 575610819 /nfs/dbraw/zinc/61/08/19/575610819.db2.gz PVXRDBCWOLEHLB-RXMQYKEDSA-N -1 1 270.749 1.823 20 0 CDADMM C[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000736280306 575610821 /nfs/dbraw/zinc/61/08/21/575610821.db2.gz PVXRDBCWOLEHLB-RXMQYKEDSA-N -1 1 270.749 1.823 20 0 CDADMM CC[C@@H](O)CCNC(=O)c1c([O-])cccc1Cl ZINC000772478375 575708021 /nfs/dbraw/zinc/70/80/21/575708021.db2.gz XFBBXCGKQRKUSU-MRVPVSSYSA-N -1 1 257.717 1.936 20 0 CDADMM C[C@@H]1CCCN(C(=O)CNC2(C(=O)[O-])CCCCC2)C1 ZINC000736788282 575744544 /nfs/dbraw/zinc/74/45/44/575744544.db2.gz DCSCDNBXRVYKLS-GFCCVEGCSA-N -1 1 282.384 1.622 20 0 CDADMM C[C@@H]1CCN(CC(=O)N(C)c2ccccc2C(=O)[O-])C1 ZINC000736796059 575748918 /nfs/dbraw/zinc/74/89/18/575748918.db2.gz CAPGSYPZIHXWKW-LLVKDONJSA-N -1 1 276.336 1.689 20 0 CDADMM CN(CCNc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC000736801079 575751530 /nfs/dbraw/zinc/75/15/30/575751530.db2.gz QUUVKELMSIQRCI-UHFFFAOYSA-N -1 1 296.338 1.205 20 0 CDADMM CN(CCNc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC000736801079 575751532 /nfs/dbraw/zinc/75/15/32/575751532.db2.gz QUUVKELMSIQRCI-UHFFFAOYSA-N -1 1 296.338 1.205 20 0 CDADMM CC[C@@](C)(NCC(=O)NCc1ccccc1C)C(=O)[O-] ZINC000736861222 575765414 /nfs/dbraw/zinc/76/54/14/575765414.db2.gz IOYCGWBYDSZRNH-OAHLLOKOSA-N -1 1 278.352 1.454 20 0 CDADMM CC[C@H](C)NC(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000736887197 575769861 /nfs/dbraw/zinc/76/98/61/575769861.db2.gz PZGSWEWYJYAMQW-JTQLQIEISA-N -1 1 256.346 1.278 20 0 CDADMM CC[C@H]1CN(Cc2ccc(C(=O)[O-])o2)CC[N@H+]1C[C@@H](C)O ZINC000736943397 575774985 /nfs/dbraw/zinc/77/49/85/575774985.db2.gz MQPDGYLDCPQXAT-NEPJUHHUSA-N -1 1 296.367 1.255 20 0 CDADMM CO[C@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000736961567 575777043 /nfs/dbraw/zinc/77/70/43/575777043.db2.gz KVBPYMLASGXYQJ-QMMMGPOBSA-N -1 1 294.746 1.530 20 0 CDADMM CO[C@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000736961567 575777046 /nfs/dbraw/zinc/77/70/46/575777046.db2.gz KVBPYMLASGXYQJ-QMMMGPOBSA-N -1 1 294.746 1.530 20 0 CDADMM Cc1cccnc1CNC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000773932439 575844833 /nfs/dbraw/zinc/84/48/33/575844833.db2.gz PVTKHJDZULOHBU-UHFFFAOYSA-N -1 1 299.359 1.651 20 0 CDADMM CSC[C@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000737176023 575894801 /nfs/dbraw/zinc/89/48/01/575894801.db2.gz KNFLGJSLBTULPT-ZETCQYMHSA-N -1 1 250.331 1.425 20 0 CDADMM CSC[C@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000737176023 575894804 /nfs/dbraw/zinc/89/48/04/575894804.db2.gz KNFLGJSLBTULPT-ZETCQYMHSA-N -1 1 250.331 1.425 20 0 CDADMM CN(C)[C@@H](Cc1ccccc1)C(=O)NCCCCC(=O)[O-] ZINC000737358486 575946407 /nfs/dbraw/zinc/94/64/07/575946407.db2.gz NJRBUVJMNBQKRS-AWEZNQCLSA-N -1 1 292.379 1.530 20 0 CDADMM CN(CCCC(=O)N1CCN2CCCC[C@H]2C1)C(=O)[O-] ZINC000737418875 575959943 /nfs/dbraw/zinc/95/99/43/575959943.db2.gz UNMOHTXICCWOEM-LBPRGKRZSA-N -1 1 283.372 1.073 20 0 CDADMM Cc1ccccc1C1(C(=O)OCc2nn[n-]n2)CC1 ZINC000737424374 575961571 /nfs/dbraw/zinc/96/15/71/575961571.db2.gz XSXLERWKERWVHF-UHFFFAOYSA-N -1 1 258.281 1.283 20 0 CDADMM Cc1occc1CN(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737556496 575990810 /nfs/dbraw/zinc/99/08/10/575990810.db2.gz KKNZIVZKKCKURN-UHFFFAOYSA-N -1 1 298.306 1.435 20 0 CDADMM Cc1occc1CN(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737556496 575990811 /nfs/dbraw/zinc/99/08/11/575990811.db2.gz KKNZIVZKKCKURN-UHFFFAOYSA-N -1 1 298.306 1.435 20 0 CDADMM Cn1[n-]c(COC(=O)C23CC4CC(CC(C4)C2)C3)nc1=O ZINC000765399360 576016152 /nfs/dbraw/zinc/01/61/52/576016152.db2.gz WXCYTLBVDWHOTL-UHFFFAOYSA-N -1 1 291.351 1.368 20 0 CDADMM Cc1ccc(C(=O)OCc2nc(=O)n(C)[n-]2)c(C)c1 ZINC000765397976 576016191 /nfs/dbraw/zinc/01/61/91/576016191.db2.gz AWQGHWNZRJROEM-UHFFFAOYSA-N -1 1 261.281 1.082 20 0 CDADMM C[C@H]1CCC[C@H](CC(=O)OCc2nc(=O)n(C)[n-]2)C1 ZINC000765461125 576026125 /nfs/dbraw/zinc/02/61/25/576026125.db2.gz JVFPJEORCRLSQJ-UWVGGRQHSA-N -1 1 267.329 1.368 20 0 CDADMM Cc1ccccc1CCC(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765467096 576027410 /nfs/dbraw/zinc/02/74/10/576027410.db2.gz PBPJGLKCVFZVFO-UHFFFAOYSA-N -1 1 275.308 1.093 20 0 CDADMM Cc1cc(F)c(C(=O)OCc2nc(=O)n(C)[n-]2)cc1F ZINC000765494577 576030625 /nfs/dbraw/zinc/03/06/25/576030625.db2.gz FYVMQUUVTOFUMN-UHFFFAOYSA-N -1 1 283.234 1.052 20 0 CDADMM C[C@@H](CCC(=O)OCc1nc(=O)n(C)[n-]1)c1ccccc1 ZINC000765500937 576032006 /nfs/dbraw/zinc/03/20/06/576032006.db2.gz DPAHNMSZHMWCRR-NSHDSACASA-N -1 1 289.335 1.736 20 0 CDADMM Cc1ccccc1C[C@@H](C)NC(=O)CNC(C)(C)C(=O)[O-] ZINC000738326001 576059420 /nfs/dbraw/zinc/05/94/20/576059420.db2.gz YYFKSPBLKKMJTJ-GFCCVEGCSA-N -1 1 292.379 1.495 20 0 CDADMM Cc1cc(CNC(=O)c2ccccc2NC(=O)[O-])n[nH]1 ZINC000738389152 576066756 /nfs/dbraw/zinc/06/67/56/576066756.db2.gz NWUNWVPEQXNXPR-UHFFFAOYSA-N -1 1 274.280 1.738 20 0 CDADMM c1cc(-c2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)ccn1 ZINC000738411364 576070288 /nfs/dbraw/zinc/07/02/88/576070288.db2.gz BLTVXHQQUBZUGY-UHFFFAOYSA-N -1 1 292.262 1.374 20 0 CDADMM c1cc(-c2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)ccn1 ZINC000738411364 576070291 /nfs/dbraw/zinc/07/02/91/576070291.db2.gz BLTVXHQQUBZUGY-UHFFFAOYSA-N -1 1 292.262 1.374 20 0 CDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCSCC1 ZINC000738435858 576074031 /nfs/dbraw/zinc/07/40/31/576074031.db2.gz CIENFPVHUJURTJ-UHFFFAOYSA-N -1 1 299.363 1.363 20 0 CDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCSCC1 ZINC000738435858 576074033 /nfs/dbraw/zinc/07/40/33/576074033.db2.gz CIENFPVHUJURTJ-UHFFFAOYSA-N -1 1 299.363 1.363 20 0 CDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1C[C@H]2CCC[C@H]21 ZINC000738432576 576074052 /nfs/dbraw/zinc/07/40/52/576074052.db2.gz HPNLNOPQJGFRCR-BXKDBHETSA-N -1 1 293.334 1.799 20 0 CDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1C[C@H]2CCC[C@H]21 ZINC000738432576 576074053 /nfs/dbraw/zinc/07/40/53/576074053.db2.gz HPNLNOPQJGFRCR-BXKDBHETSA-N -1 1 293.334 1.799 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCc2ccc3c(c2)CCO3)n1 ZINC000738445785 576075991 /nfs/dbraw/zinc/07/59/91/576075991.db2.gz MUXCJRMBQYMQID-UHFFFAOYSA-N -1 1 295.306 1.204 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCc2ccc3c(c2)CCO3)n1 ZINC000738445785 576075992 /nfs/dbraw/zinc/07/59/92/576075992.db2.gz MUXCJRMBQYMQID-UHFFFAOYSA-N -1 1 295.306 1.204 20 0 CDADMM O=C([O-])CN(CCc1ccccc1)C(=O)c1ccn[nH]1 ZINC000738606362 576094287 /nfs/dbraw/zinc/09/42/87/576094287.db2.gz NKCVFLIRQDYRKS-UHFFFAOYSA-N -1 1 273.292 1.179 20 0 CDADMM C[C@@H](O)[C@H]1CCCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000768388930 576279244 /nfs/dbraw/zinc/27/92/44/576279244.db2.gz MILNDBQQFZYAPR-BXKDBHETSA-N -1 1 267.300 1.907 20 0 CDADMM CN(CCCC(=O)[O-])C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000769450572 576355141 /nfs/dbraw/zinc/35/51/41/576355141.db2.gz OVKQBERBFHWJJD-VIFPVBQESA-N -1 1 265.313 1.153 20 0 CDADMM O=C([O-])Cn1ccc(NC(=O)c2cnc3[nH]cccc2-3)n1 ZINC000739919038 576398131 /nfs/dbraw/zinc/39/81/31/576398131.db2.gz FFCBRYVIJLYPDN-UHFFFAOYSA-N -1 1 285.263 1.096 20 0 CDADMM C[C@@](O)(CC(=O)[N-]OCC(F)F)c1ccccc1 ZINC000760151356 576461946 /nfs/dbraw/zinc/46/19/46/576461946.db2.gz RLPUDFPBFBWIIJ-GFCCVEGCSA-N -1 1 259.252 1.597 20 0 CDADMM COc1ccc(C(=O)[N-]C(=O)CSCC(C)=O)cc1 ZINC000746140238 576756089 /nfs/dbraw/zinc/75/60/89/576756089.db2.gz SXQMPBXWGDOEGR-UHFFFAOYSA-N -1 1 281.333 1.274 20 0 CDADMM Cc1c[nH]cc1C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000747473319 576872155 /nfs/dbraw/zinc/87/21/55/576872155.db2.gz FRORDGAXWPGJBV-GFCCVEGCSA-N -1 1 282.307 1.356 20 0 CDADMM Cn1[n-]c(CN2CCC[C@@H]2c2ccc(F)c(F)c2)nc1=O ZINC000754043908 576875317 /nfs/dbraw/zinc/87/53/17/576875317.db2.gz RDVYYVALCBAXJS-GFCCVEGCSA-N -1 1 294.305 1.724 20 0 CDADMM C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccncc1[O-] ZINC000748312582 576904908 /nfs/dbraw/zinc/90/49/08/576904908.db2.gz OKCVTKPLVZKAEQ-UHFFFAOYSA-N -1 1 295.298 1.274 20 0 CDADMM COC[C@](C)(O)CNC(=O)c1c([O-])cccc1Cl ZINC000748364982 576908988 /nfs/dbraw/zinc/90/89/88/576908988.db2.gz NKCXUXYUROSXQL-GFCCVEGCSA-N -1 1 273.716 1.173 20 0 CDADMM CNC(=O)N1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000748399777 576910820 /nfs/dbraw/zinc/91/08/20/576910820.db2.gz VOIPGWBDGRLDHK-UHFFFAOYSA-N -1 1 297.742 1.143 20 0 CDADMM CCc1noc(CC)c1CC(=O)[N-]OCCOC ZINC000755450265 576945277 /nfs/dbraw/zinc/94/52/77/576945277.db2.gz ZHJXSCICGMQPIB-UHFFFAOYSA-N -1 1 256.302 1.036 20 0 CDADMM CC(=O)Nc1ccc(CC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000749623294 576956118 /nfs/dbraw/zinc/95/61/18/576956118.db2.gz LYEKDIOIRQQRIL-OAHLLOKOSA-N -1 1 292.335 1.762 20 0 CDADMM O=C(Nc1ccncc1[O-])C(F)(F)c1nccs1 ZINC000756882735 577012492 /nfs/dbraw/zinc/01/24/92/577012492.db2.gz ZIAJRBAIPGGOFF-UHFFFAOYSA-N -1 1 271.248 1.396 20 0 CDADMM C[C@@H]([N-]C(=O)C(F)(F)c1nccs1)c1ncon1 ZINC000756892579 577013027 /nfs/dbraw/zinc/01/30/27/577013027.db2.gz JTOYRHMGLHKGDB-RXMQYKEDSA-N -1 1 274.252 1.495 20 0 CDADMM O=C([N-]N1C(=O)c2ccccc2C1=O)c1ccnc(F)c1 ZINC000751044621 577025378 /nfs/dbraw/zinc/02/53/78/577025378.db2.gz ZORXSMQKGAPBOA-UHFFFAOYSA-N -1 1 285.234 1.162 20 0 CDADMM O=C(Nc1ncccc1[O-])C(F)(F)c1nccs1 ZINC000757594979 577044759 /nfs/dbraw/zinc/04/47/59/577044759.db2.gz GMKGEKPJTLGXCS-UHFFFAOYSA-N -1 1 271.248 1.974 20 0 CDADMM O=C([O-])[C@H]1CSCCN(C(=O)c2c(O)cccc2F)C1 ZINC001601857141 1175038814 /nfs/dbraw/zinc/03/88/14/1175038814.db2.gz VKHBNIRSLXHTCD-MRVPVSSYSA-N -1 1 299.323 1.421 20 0 CDADMM O=C([O-])[C@@H]1CSCCN(Cc2cnc(C3CC3)o2)C1 ZINC001601858235 1175040263 /nfs/dbraw/zinc/04/02/63/1175040263.db2.gz ZEDDAYRZGHTKJZ-JTQLQIEISA-N -1 1 282.365 1.802 20 0 CDADMM Cc1nc(C)c(CNc2nccnc2-c2nnn[n-]2)s1 ZINC000095209996 599043024 /nfs/dbraw/zinc/04/30/24/599043024.db2.gz KUDJHPIPNKOVOX-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Cc1nc(C)c(CNc2nccnc2-c2nn[n-]n2)s1 ZINC000095209996 599043026 /nfs/dbraw/zinc/04/30/26/599043026.db2.gz KUDJHPIPNKOVOX-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM O=C([O-])C[C@H]1CCCN(CC(=O)Nc2ccc(O)cc2)C1 ZINC000819375758 597070722 /nfs/dbraw/zinc/07/07/22/597070722.db2.gz YIRKIQRCIXYPBO-LLVKDONJSA-N -1 1 292.335 1.517 20 0 CDADMM CCN(CC)Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])o1 ZINC000037435116 597157587 /nfs/dbraw/zinc/15/75/87/597157587.db2.gz RUIIIKQIFIWSEP-GFCCVEGCSA-N -1 1 294.351 1.811 20 0 CDADMM CC[C@H](C)[C@H](NC(=O)c1cccc2nc[nH]c21)C(=O)[O-] ZINC000820454252 597399420 /nfs/dbraw/zinc/39/94/20/597399420.db2.gz LWWIWPVWNZONNO-KWQFWETISA-N -1 1 275.308 1.792 20 0 CDADMM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc2[nH]cnc21 ZINC000821508997 597446430 /nfs/dbraw/zinc/44/64/30/597446430.db2.gz AZZVHKCWFNFAEF-NSHDSACASA-N -1 1 273.292 1.642 20 0 CDADMM COc1ccccc1NC(=O)[C@H](C)N1CC[C@@H](C(=O)[O-])C1 ZINC000818631447 597530865 /nfs/dbraw/zinc/53/08/65/597530865.db2.gz XPQLTAGKKLZMPS-WDEREUQCSA-N -1 1 292.335 1.429 20 0 CDADMM COCc1nc(N[C@H]2CS[C@H](C)C2)cc(=O)[n-]1 ZINC000894194925 618681627 /nfs/dbraw/zinc/68/16/27/618681627.db2.gz NSANDNDUIYUOPP-HTQZYQBOSA-N -1 1 255.343 1.635 20 0 CDADMM CO[C@H](C)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821673881 607320293 /nfs/dbraw/zinc/32/02/93/607320293.db2.gz NPSOYLNPFIDTBU-ZCFIWIBFSA-N -1 1 268.298 1.120 20 0 CDADMM CO[C@H](C)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821673881 607320294 /nfs/dbraw/zinc/32/02/94/607320294.db2.gz NPSOYLNPFIDTBU-ZCFIWIBFSA-N -1 1 268.298 1.120 20 0 CDADMM O=C([O-])[C@H]1CCN(Cc2c(Cl)nc3ccccn32)C1 ZINC000821511879 598128928 /nfs/dbraw/zinc/12/89/28/598128928.db2.gz UXUKYRWWDDMKFR-VIFPVBQESA-N -1 1 279.727 1.894 20 0 CDADMM Cc1ccc(O)c(CN2CCCC[C@@H]2C(=O)[O-])n1 ZINC000091996627 598131953 /nfs/dbraw/zinc/13/19/53/598131953.db2.gz MMFWGNSRVZCFLF-LLVKDONJSA-N -1 1 250.298 1.535 20 0 CDADMM CC(C)[C@@H]([NH2+]Cc1cc(=O)oc2cc([O-])ccc12)C(=O)[O-] ZINC000035391699 598198942 /nfs/dbraw/zinc/19/89/42/598198942.db2.gz SYGAJAGLLQEKLE-CQSZACIVSA-N -1 1 291.303 1.697 20 0 CDADMM CCC(C)(C)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820847836 599627837 /nfs/dbraw/zinc/62/78/37/599627837.db2.gz MXRGYCYCZPCWEL-UHFFFAOYSA-N -1 1 275.312 1.855 20 0 CDADMM CCC(C)(C)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820847836 599627838 /nfs/dbraw/zinc/62/78/38/599627838.db2.gz MXRGYCYCZPCWEL-UHFFFAOYSA-N -1 1 275.312 1.855 20 0 CDADMM O=C(OCCOCC1CC1)c1sccc1-c1nn[n-]n1 ZINC000823405523 599659133 /nfs/dbraw/zinc/65/91/33/599659133.db2.gz SLRIYJXBUBKBFS-UHFFFAOYSA-N -1 1 294.336 1.512 20 0 CDADMM Cc1nc([C@H]2CN3CCC[C@H]3CO2)sc1C(=O)[O-] ZINC000252547448 599941141 /nfs/dbraw/zinc/94/11/41/599941141.db2.gz LNODJNUFCDJUBS-DTWKUNHWSA-N -1 1 268.338 1.685 20 0 CDADMM CCC[C@](C)(NCC(=O)Nc1ccc(OC)cc1)C(=O)[O-] ZINC000036808254 600150928 /nfs/dbraw/zinc/15/09/28/600150928.db2.gz OWUFIDMFWGXVDO-HNNXBMFYSA-N -1 1 294.351 1.867 20 0 CDADMM CCCCCCNC(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736983922 600289511 /nfs/dbraw/zinc/28/95/11/600289511.db2.gz RDGZNFVDTSSAMP-ZDUSSCGKSA-N -1 1 296.411 1.870 20 0 CDADMM C[C@@](CO)(NCc1ccoc1C(=O)[O-])c1ccccc1 ZINC000235381553 600312286 /nfs/dbraw/zinc/31/22/86/600312286.db2.gz SLPMNVUXTNNNOQ-HNNXBMFYSA-N -1 1 275.304 1.975 20 0 CDADMM CCC[C@](C)(NCC(=O)N1CCC[C@H](C)C1)C(=O)[O-] ZINC000036808386 600461742 /nfs/dbraw/zinc/46/17/42/600461742.db2.gz LQENLJDYWRXYKW-FZMZJTMJSA-N -1 1 270.373 1.478 20 0 CDADMM CC[C@](C)(NCC(=O)N[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000094228939 600559975 /nfs/dbraw/zinc/55/99/75/600559975.db2.gz NWTNIXYHFIOLBA-WDMOLILDSA-N -1 1 270.373 1.524 20 0 CDADMM C[C@H](C(=O)NCC(=O)[O-])N1CCC(C2CCCC2)CC1 ZINC000826000093 601024637 /nfs/dbraw/zinc/02/46/37/601024637.db2.gz 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CCN(CC(C)(C)C)c1ccc(-c2nnn[n-]2)nn1 ZINC001604274123 1163139595 /nfs/dbraw/zinc/13/95/95/1163139595.db2.gz IVYDKSGOPIARIJ-UHFFFAOYSA-N -1 1 261.333 1.529 20 0 CDADMM CCN(CC(C)(C)C)c1ccc(-c2nn[n-]n2)nn1 ZINC001604274123 1163139598 /nfs/dbraw/zinc/13/95/98/1163139598.db2.gz IVYDKSGOPIARIJ-UHFFFAOYSA-N -1 1 261.333 1.529 20 0 CDADMM CN(C(=O)c1c[nH]nc1-c1ccccc1F)c1nn[n-]n1 ZINC001168359173 1160733252 /nfs/dbraw/zinc/73/32/52/1160733252.db2.gz OVYPYJVIUKTIDB-UHFFFAOYSA-N -1 1 287.258 1.006 20 0 CDADMM CC(C)S(=O)(=O)CC(=O)Nc1nc(Cl)ccc1[O-] ZINC000790046019 1162122814 /nfs/dbraw/zinc/12/28/14/1162122814.db2.gz DWABNEGWMUOODG-UHFFFAOYSA-N -1 1 292.744 1.202 20 0 CDADMM CCOc1ccc(CNc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC001604460307 1163192860 /nfs/dbraw/zinc/19/28/60/1163192860.db2.gz QPLZOBBBLNQMLG-UHFFFAOYSA-N -1 1 285.311 1.601 20 0 CDADMM CCOc1ccc(CNc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC001604460307 1163192866 /nfs/dbraw/zinc/19/28/66/1163192866.db2.gz QPLZOBBBLNQMLG-UHFFFAOYSA-N -1 1 285.311 1.601 20 0 CDADMM C[C@H](c1ncc(C(=O)[O-])s1)N1CCN(C)C(C)(C)C1 ZINC001604481211 1163200982 /nfs/dbraw/zinc/20/09/82/1163200982.db2.gz OOSUFQXRUHNFNG-SECBINFHSA-N -1 1 283.397 1.928 20 0 CDADMM CCc1nc(N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001604569727 1163233283 /nfs/dbraw/zinc/23/32/83/1163233283.db2.gz LCCHXSQYEZAQLU-DOLQZWNJSA-N -1 1 285.355 1.676 20 0 CDADMM CCc1nc(N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001604569727 1163233293 /nfs/dbraw/zinc/23/32/93/1163233293.db2.gz LCCHXSQYEZAQLU-DOLQZWNJSA-N -1 1 285.355 1.676 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CN2C[C@H](C)O[C@@]3(CCOC3)C2)O1 ZINC001604610025 1163247762 /nfs/dbraw/zinc/24/77/62/1163247762.db2.gz KVBXLZHOHGUFQM-NVBFEUDRSA-N -1 1 297.351 1.014 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001604788727 1163325394 /nfs/dbraw/zinc/32/53/94/1163325394.db2.gz QHJOAJZJDVDJOF-WWGRRREGSA-N -1 1 294.395 1.574 20 0 CDADMM CC[C@](C)(NC(=O)[C@H]1CCN1C(C)(C)C)C(=O)[O-] ZINC001604908347 1163376923 /nfs/dbraw/zinc/37/69/23/1163376923.db2.gz GMUYNEKXTRBFDH-RNCFNFMXSA-N -1 1 256.346 1.229 20 0 CDADMM CO[C@H](C)CCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001605003068 1163411324 /nfs/dbraw/zinc/41/13/24/1163411324.db2.gz NMDTWUZYLRYZOP-RXMQYKEDSA-N -1 1 288.764 1.814 20 0 CDADMM CO[C@H](C)CCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001605003068 1163411333 /nfs/dbraw/zinc/41/13/33/1163411333.db2.gz NMDTWUZYLRYZOP-RXMQYKEDSA-N -1 1 288.764 1.814 20 0 CDADMM COCC1(CCNc2nccnc2-c2nnn[n-]2)CCC1 ZINC001605065978 1163438641 /nfs/dbraw/zinc/43/86/41/1163438641.db2.gz CYNTUCZCBGMJNH-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM COCC1(CCNc2nccnc2-c2nn[n-]n2)CCC1 ZINC001605065978 1163438649 /nfs/dbraw/zinc/43/86/49/1163438649.db2.gz CYNTUCZCBGMJNH-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM CCN(C)[C@H](C(=O)NC[C@H]1C[C@H]1C(=O)[O-])c1ccccc1 ZINC001605407161 1163551887 /nfs/dbraw/zinc/55/18/87/1163551887.db2.gz GCFIROIILQTULS-MCIONIFRSA-N -1 1 290.363 1.516 20 0 CDADMM Cc1c(F)cccc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001605494020 1163585765 /nfs/dbraw/zinc/58/57/65/1163585765.db2.gz ZCZCIHMKRYJTSV-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1c(F)cccc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001605494020 1163585769 /nfs/dbraw/zinc/58/57/69/1163585769.db2.gz ZCZCIHMKRYJTSV-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3C[C@@H]3C2)c1 ZINC001605559633 1163609448 /nfs/dbraw/zinc/60/94/48/1163609448.db2.gz DFGSQLWTBDRFMT-NXEZZACHSA-N -1 1 256.313 1.416 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3C[C@@H]3C2)c1 ZINC001605559633 1163609452 /nfs/dbraw/zinc/60/94/52/1163609452.db2.gz DFGSQLWTBDRFMT-NXEZZACHSA-N -1 1 256.313 1.416 20 0 CDADMM CCOC(=O)c1cn(CN2CC[C@@H](C(=O)[O-])[C@@H]2C)nc1C ZINC001605576785 1163615278 /nfs/dbraw/zinc/61/52/78/1163615278.db2.gz AYWAPFQVWUKSHS-WDEREUQCSA-N -1 1 295.339 1.121 20 0 CDADMM CCOCCOC1CCN(Cc2oncc2C(=O)[O-])CC1 ZINC001605638826 1163631920 /nfs/dbraw/zinc/63/19/20/1163631920.db2.gz VMJJRQRSLXSWGP-UHFFFAOYSA-N -1 1 298.339 1.390 20 0 CDADMM Cc1cc(NC[C@H](C)C[C@@H](C)O)cc(-c2nnn[n-]2)n1 ZINC001605727121 1163654481 /nfs/dbraw/zinc/65/44/81/1163654481.db2.gz PVXHPWSBQCYCKJ-PSASIEDQSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1cc(NC[C@H](C)C[C@@H](C)O)cc(-c2nn[n-]n2)n1 ZINC001605727121 1163654487 /nfs/dbraw/zinc/65/44/87/1163654487.db2.gz PVXHPWSBQCYCKJ-PSASIEDQSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1[nH]nc(NCc2ccc(C)nc2)c1-c1nnn[n-]1 ZINC001605856512 1163691987 /nfs/dbraw/zinc/69/19/87/1163691987.db2.gz OQWGKBOMRYPKFN-UHFFFAOYSA-N -1 1 270.300 1.214 20 0 CDADMM Cc1[nH]nc(NCc2ccc(C)nc2)c1-c1nn[n-]n1 ZINC001605856512 1163691993 /nfs/dbraw/zinc/69/19/93/1163691993.db2.gz OQWGKBOMRYPKFN-UHFFFAOYSA-N -1 1 270.300 1.214 20 0 CDADMM Cc1ccc(N(C)CC2(O)CCCC2)nc1-c1nnn[n-]1 ZINC001605865988 1163698255 /nfs/dbraw/zinc/69/82/55/1163698255.db2.gz DBNLFOORSMHNOH-UHFFFAOYSA-N -1 1 288.355 1.311 20 0 CDADMM Cc1ccc(N(C)CC2(O)CCCC2)nc1-c1nn[n-]n1 ZINC001605865988 1163698262 /nfs/dbraw/zinc/69/82/62/1163698262.db2.gz DBNLFOORSMHNOH-UHFFFAOYSA-N -1 1 288.355 1.311 20 0 CDADMM Cc1cn(C)nc1COc1cccc(F)c1-c1nnn[n-]1 ZINC001605969212 1163731927 /nfs/dbraw/zinc/73/19/27/1163731927.db2.gz FYBQZIFYPXCAIX-UHFFFAOYSA-N -1 1 288.286 1.627 20 0 CDADMM Cc1cn(C)nc1COc1cccc(F)c1-c1nn[n-]n1 ZINC001605969212 1163731932 /nfs/dbraw/zinc/73/19/32/1163731932.db2.gz FYBQZIFYPXCAIX-UHFFFAOYSA-N -1 1 288.286 1.627 20 0 CDADMM Cc1cncc(COC(=O)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001605984269 1163736113 /nfs/dbraw/zinc/73/61/13/1163736113.db2.gz DISVZXGWKSSADZ-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1cncc(COC(=O)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001605984269 1163736118 /nfs/dbraw/zinc/73/61/18/1163736118.db2.gz DISVZXGWKSSADZ-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1cocc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001605996026 1163739425 /nfs/dbraw/zinc/73/94/25/1163739425.db2.gz QLFHHCDBDGTMEA-UHFFFAOYSA-N -1 1 285.263 1.726 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N(C)[C@@H]2CCC(C)(C)C2)n1 ZINC001606019790 1163745722 /nfs/dbraw/zinc/74/57/22/1163745722.db2.gz MDEZSLRUFQFGDW-SNVBAGLBSA-N -1 1 287.371 1.980 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N(C)[C@@H]2CCC(C)(C)C2)n1 ZINC001606019790 1163745729 /nfs/dbraw/zinc/74/57/29/1163745729.db2.gz MDEZSLRUFQFGDW-SNVBAGLBSA-N -1 1 287.371 1.980 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC3(CCCC3)C2)n1 ZINC001606020811 1163748478 /nfs/dbraw/zinc/74/84/78/1163748478.db2.gz CHTCAFAEINMTAE-UHFFFAOYSA-N -1 1 285.355 1.736 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC3(CCCC3)C2)n1 ZINC001606020811 1163748486 /nfs/dbraw/zinc/74/84/86/1163748486.db2.gz CHTCAFAEINMTAE-UHFFFAOYSA-N -1 1 285.355 1.736 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC001606166541 1163794917 /nfs/dbraw/zinc/79/49/17/1163794917.db2.gz SWGHPWFRJQKYFX-AOOOYVTPSA-N -1 1 287.323 1.640 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC001606166541 1163794923 /nfs/dbraw/zinc/79/49/23/1163794923.db2.gz SWGHPWFRJQKYFX-AOOOYVTPSA-N -1 1 287.323 1.640 20 0 CDADMM FC1(F)CCC[C@H](Nc2ncncc2-c2nn[n-]n2)C1 ZINC001606299933 1163845399 /nfs/dbraw/zinc/84/53/99/1163845399.db2.gz MJJFWRADFXNGQB-ZETCQYMHSA-N -1 1 281.270 1.647 20 0 CDADMM O=C(CCC(F)F)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606509883 1163919779 /nfs/dbraw/zinc/91/97/79/1163919779.db2.gz ZWCVJTIEMWXUHL-UHFFFAOYSA-N -1 1 268.227 1.246 20 0 CDADMM O=C(CCC(F)F)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606509883 1163919787 /nfs/dbraw/zinc/91/97/87/1163919787.db2.gz ZWCVJTIEMWXUHL-UHFFFAOYSA-N -1 1 268.227 1.246 20 0 CDADMM O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)c1ccsc1-c1nnn[n-]1 ZINC001606654984 1163947299 /nfs/dbraw/zinc/94/72/99/1163947299.db2.gz AYWYTBLVELBVTB-QXFUBDJGSA-N -1 1 289.364 1.847 20 0 CDADMM O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)c1ccsc1-c1nn[n-]n1 ZINC001606654984 1163947307 /nfs/dbraw/zinc/94/73/07/1163947307.db2.gz AYWYTBLVELBVTB-QXFUBDJGSA-N -1 1 289.364 1.847 20 0 CDADMM O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)c1ccnc(-c2nnn[n-]2)c1 ZINC001606762041 1163984566 /nfs/dbraw/zinc/98/45/66/1163984566.db2.gz SVIYPEJVTNKCGF-HOSYDEDBSA-N -1 1 298.350 1.428 20 0 CDADMM O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)c1ccnc(-c2nn[n-]n2)c1 ZINC001606762041 1163984569 /nfs/dbraw/zinc/98/45/69/1163984569.db2.gz SVIYPEJVTNKCGF-HOSYDEDBSA-N -1 1 298.350 1.428 20 0 CDADMM O=C(NCCc1ccoc1)c1ccc(-c2nnn[n-]2)o1 ZINC001606796213 1163994973 /nfs/dbraw/zinc/99/49/73/1163994973.db2.gz MRLCOUWLCDIPFW-UHFFFAOYSA-N -1 1 273.252 1.025 20 0 CDADMM O=C(NCCc1ccoc1)c1ccc(-c2nn[n-]n2)o1 ZINC001606796213 1163994978 /nfs/dbraw/zinc/99/49/78/1163994978.db2.gz MRLCOUWLCDIPFW-UHFFFAOYSA-N -1 1 273.252 1.025 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cccc2c1CCC2 ZINC001606893413 1164025762 /nfs/dbraw/zinc/02/57/62/1164025762.db2.gz QVCUXQIXGDMRFJ-UHFFFAOYSA-N -1 1 295.306 1.331 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cccc2c1CCC2 ZINC001606893413 1164025764 /nfs/dbraw/zinc/02/57/64/1164025764.db2.gz QVCUXQIXGDMRFJ-UHFFFAOYSA-N -1 1 295.306 1.331 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@H]1CCCC12CC2 ZINC001606933068 1164032275 /nfs/dbraw/zinc/03/22/75/1164032275.db2.gz FQOWGJBXAYUWJZ-SECBINFHSA-N 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/nfs/dbraw/zinc/09/94/02/1164099402.db2.gz RTRVLDYBCAJXRT-CYBMUJFWSA-N -1 1 294.322 1.615 20 0 CDADMM c1cc([C@@H]2CCN(c3cc(-c4nnn[n-]4)ncn3)C2)ccn1 ZINC001607118181 1164099763 /nfs/dbraw/zinc/09/97/63/1164099763.db2.gz TYDWNZDRKPLHLT-LLVKDONJSA-N -1 1 294.322 1.046 20 0 CDADMM c1cc([C@@H]2CCN(c3cc(-c4nn[n-]n4)ncn3)C2)ccn1 ZINC001607118181 1164099770 /nfs/dbraw/zinc/09/97/70/1164099770.db2.gz TYDWNZDRKPLHLT-LLVKDONJSA-N -1 1 294.322 1.046 20 0 CDADMM c1cc(N2CC[C@H]3CSC[C@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001607120192 1164104356 /nfs/dbraw/zinc/10/43/56/1164104356.db2.gz PXJZMRYMURWFLW-VHSXEESVSA-N -1 1 288.380 1.451 20 0 CDADMM c1cc(N2CC[C@H]3CSC[C@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001607120192 1164104363 /nfs/dbraw/zinc/10/43/63/1164104363.db2.gz PXJZMRYMURWFLW-VHSXEESVSA-N -1 1 288.380 1.451 20 0 CDADMM C[C@H]1CN(Cc2cccc3cccnc32)C[C@@H](C(=O)[O-])O1 ZINC001607476665 1164196301 /nfs/dbraw/zinc/19/63/01/1164196301.db2.gz BERLTOKETZYXIY-FZMZJTMJSA-N -1 1 286.331 1.909 20 0 CDADMM Cc1cc(C(=O)CN2CC[C@@H](C(=O)[O-])[C@H]2C)c(C)n1C ZINC001607567591 1164226120 /nfs/dbraw/zinc/22/61/20/1164226120.db2.gz PDWMJFBYKUDGDQ-VXGBXAGGSA-N -1 1 278.352 1.620 20 0 CDADMM Cc1cc(NC(=O)CN2CC[C@@H](C)C2)nc(C)c1C(=O)[O-] ZINC001607678589 1164265605 /nfs/dbraw/zinc/26/56/05/1164265605.db2.gz SLOYRUQFTMOTJL-SECBINFHSA-N -1 1 291.351 1.677 20 0 CDADMM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)CCc1cnc[nH]1 ZINC001607734575 1164281828 /nfs/dbraw/zinc/28/18/28/1164281828.db2.gz PWQVHXIEVOXRRY-UHFFFAOYSA-N -1 1 289.291 1.693 20 0 CDADMM Cc1cccnc1[C@H](C)N[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001607888813 1164323005 /nfs/dbraw/zinc/32/30/05/1164323005.db2.gz ZXMHNKUXIFUMRD-RYUDHWBXSA-N -1 1 291.351 1.116 20 0 CDADMM Cc1cnc(CCN[C@H](C)c2ncc(C(=O)[O-])s2)cn1 ZINC001607907141 1164331831 /nfs/dbraw/zinc/33/18/31/1164331831.db2.gz ZLHVGQKAJMCALM-SECBINFHSA-N -1 1 292.364 1.833 20 0 CDADMM Cc1csc(C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)c1 ZINC001607923708 1164340512 /nfs/dbraw/zinc/34/05/12/1164340512.db2.gz HVXQKZVKIYRRQT-JTQLQIEISA-N -1 1 282.365 1.145 20 0 CDADMM CCCc1ncncc1C(=O)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001193453982 1164391752 /nfs/dbraw/zinc/39/17/52/1164391752.db2.gz UHFZWBRFNMPYIJ-UHFFFAOYSA-N -1 1 299.294 1.053 20 0 CDADMM O=C([O-])C12CCC(C(=O)N3CC[C@H](N4CCC4)C3)(CC1)C2 ZINC001608582185 1164555354 /nfs/dbraw/zinc/55/53/54/1164555354.db2.gz AKRQMQQUWCNSEO-JQRITLKVSA-N -1 1 292.379 1.328 20 0 CDADMM O=C([O-])[C@H]1CC12CCN(Cc1[nH]nc3c1COCC3)CC2 ZINC001608608892 1164572709 /nfs/dbraw/zinc/57/27/09/1164572709.db2.gz XLOARZRFVDHQKH-LLVKDONJSA-N -1 1 291.351 1.169 20 0 CDADMM O=C([O-])Cc1cccc(C(=O)N2CC(N3CCCC3)C2)c1 ZINC001608783439 1164635793 /nfs/dbraw/zinc/63/57/93/1164635793.db2.gz QIIJJJYLDKVMEX-UHFFFAOYSA-N -1 1 288.347 1.234 20 0 CDADMM O=C([O-])c1ccc(C(=O)N2CCC[C@@H](c3nc[nH]n3)C2)o1 ZINC001608872408 1164667759 /nfs/dbraw/zinc/66/77/59/1164667759.db2.gz KLARLJOECRDUPA-MRVPVSSYSA-N -1 1 290.279 1.116 20 0 CDADMM O=C([O-])c1ccc(CN[C@@H]2CCCC(F)(F)[C@H]2O)o1 ZINC001608887848 1164676945 /nfs/dbraw/zinc/67/69/45/1164676945.db2.gz ITPOMYQWSLVVOR-SCZZXKLOSA-N -1 1 275.251 1.616 20 0 CDADMM O=C([O-])c1cccc(Cl)c1CN(CCO)C1CC1 ZINC001608933449 1164688465 /nfs/dbraw/zinc/68/84/65/1164688465.db2.gz KYCBILMAOUOHDT-UHFFFAOYSA-N -1 1 269.728 1.995 20 0 CDADMM O=C([O-])c1cncc(CN2CC[C@H](n3cccn3)C2)c1 ZINC001608980878 1164703708 /nfs/dbraw/zinc/70/37/08/1164703708.db2.gz UHMQZZLMCBVUSY-ZDUSSCGKSA-N -1 1 272.308 1.423 20 0 CDADMM O=C([O-])c1coc(CNC(=O)c2ccc(F)cc2O)n1 ZINC001608989167 1164709958 /nfs/dbraw/zinc/70/99/58/1164709958.db2.gz VPHAZJGGSVXWIB-UHFFFAOYSA-N -1 1 280.211 1.148 20 0 CDADMM O=C([O-])c1coc(CNC(=O)[C@H]2CCN2C2CCCC2)c1 ZINC001608988538 1164710060 /nfs/dbraw/zinc/71/00/60/1164710060.db2.gz NCXHDIVVFMPLSO-CYBMUJFWSA-N -1 1 292.335 1.611 20 0 CDADMM CC(=O)CCCCCOc1cnc(-c2nn[n-]n2)nc1 ZINC001609061697 1164753501 /nfs/dbraw/zinc/75/35/01/1164753501.db2.gz RQDLOSCAUIGTPD-UHFFFAOYSA-N -1 1 276.300 1.185 20 0 CDADMM CC(C)(CNc1ccc(-c2nnn[n-]2)nn1)OCC1CC1 ZINC001609084136 1164760037 /nfs/dbraw/zinc/76/00/37/1164760037.db2.gz KAUUIIMHKOSREY-UHFFFAOYSA-N -1 1 289.343 1.274 20 0 CDADMM CC(C)(CNc1ccc(-c2nn[n-]n2)nn1)OCC1CC1 ZINC001609084136 1164760046 /nfs/dbraw/zinc/76/00/46/1164760046.db2.gz KAUUIIMHKOSREY-UHFFFAOYSA-N -1 1 289.343 1.274 20 0 CDADMM CC1(C)C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)O1 ZINC001609144288 1164794697 /nfs/dbraw/zinc/79/46/97/1164794697.db2.gz PIRIOWGZEXMNMH-SECBINFHSA-N -1 1 289.343 1.415 20 0 CDADMM CC1(C)C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)O1 ZINC001609144288 1164794707 /nfs/dbraw/zinc/79/47/07/1164794707.db2.gz PIRIOWGZEXMNMH-SECBINFHSA-N -1 1 289.343 1.415 20 0 CDADMM CC1(C)C[C@@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609147871 1164795918 /nfs/dbraw/zinc/79/59/18/1164795918.db2.gz RDSKXWIWQNFMDP-QMMMGPOBSA-N -1 1 263.326 1.457 20 0 CDADMM C[C@@H]1CCC[C@H](COc2cnc(-c3nn[n-]n3)nc2)C1 ZINC001609162848 1164808556 /nfs/dbraw/zinc/80/85/56/1164808556.db2.gz KZANFMGDCOKJCS-ZJUUUORDSA-N -1 1 274.328 1.862 20 0 CDADMM C[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)o2)C[C@H]1C(=O)[O-] ZINC001609169137 1164812238 /nfs/dbraw/zinc/81/22/38/1164812238.db2.gz UZBOQVFXSQRRMP-WCBMZHEXSA-N -1 1 291.311 1.002 20 0 CDADMM C[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)o2)C[C@H]1C(=O)[O-] ZINC001609169137 1164812256 /nfs/dbraw/zinc/81/22/56/1164812256.db2.gz UZBOQVFXSQRRMP-WCBMZHEXSA-N -1 1 291.311 1.002 20 0 CDADMM C[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)o2)C[C@H]1C(=O)[O-] ZINC001609169137 1164812265 /nfs/dbraw/zinc/81/22/65/1164812265.db2.gz UZBOQVFXSQRRMP-WCBMZHEXSA-N -1 1 291.311 1.002 20 0 CDADMM CC[C@@H](CSC)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609192158 1164832402 /nfs/dbraw/zinc/83/24/02/1164832402.db2.gz XKCCAENYJODJDA-QMMMGPOBSA-N -1 1 279.373 1.519 20 0 CDADMM CC[C@@H](CSC)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609192158 1164832412 /nfs/dbraw/zinc/83/24/12/1164832412.db2.gz XKCCAENYJODJDA-QMMMGPOBSA-N -1 1 279.373 1.519 20 0 CDADMM CC[C@]1(CO)CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001609197593 1164840457 /nfs/dbraw/zinc/84/04/57/1164840457.db2.gz KBAMTENJJXZLJQ-AWEZNQCLSA-N -1 1 288.355 1.251 20 0 CDADMM CC[C@]1(CO)CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001609197593 1164840461 /nfs/dbraw/zinc/84/04/61/1164840461.db2.gz KBAMTENJJXZLJQ-AWEZNQCLSA-N -1 1 288.355 1.251 20 0 CDADMM CCSCCCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609248859 1164864412 /nfs/dbraw/zinc/86/44/12/1164864412.db2.gz YDAHWFXBEOZYPC-UHFFFAOYSA-N -1 1 279.373 1.520 20 0 CDADMM CCSCCCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609248859 1164864418 /nfs/dbraw/zinc/86/44/18/1164864418.db2.gz YDAHWFXBEOZYPC-UHFFFAOYSA-N -1 1 279.373 1.520 20 0 CDADMM CCc1cnc(CNc2ccc(C)c(-c3nnn[n-]3)n2)o1 ZINC001609253829 1164867176 /nfs/dbraw/zinc/86/71/76/1164867176.db2.gz RGCMMTJJRZXQLD-UHFFFAOYSA-N -1 1 285.311 1.733 20 0 CDADMM CCc1cnc(CNc2ccc(C)c(-c3nn[n-]n3)n2)o1 ZINC001609253829 1164867179 /nfs/dbraw/zinc/86/71/79/1164867179.db2.gz RGCMMTJJRZXQLD-UHFFFAOYSA-N -1 1 285.311 1.733 20 0 CDADMM CCn1cccc(CNc2cccnc2-c2nn[n-]n2)c1=O ZINC001609258441 1164867803 /nfs/dbraw/zinc/86/78/03/1164867803.db2.gz ISPVHVHTISLLOM-UHFFFAOYSA-N -1 1 297.322 1.055 20 0 CDADMM COC1(CNc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001609312228 1164891613 /nfs/dbraw/zinc/89/16/13/1164891613.db2.gz XOLARSGZJZIRSF-UHFFFAOYSA-N -1 1 275.316 1.028 20 0 CDADMM COC1(CNc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001609312228 1164891621 /nfs/dbraw/zinc/89/16/21/1164891621.db2.gz XOLARSGZJZIRSF-UHFFFAOYSA-N -1 1 275.316 1.028 20 0 CDADMM COCc1cccc(COc2cnc(-c3nn[nH]n3)nc2)c1 ZINC001609331023 1164903687 /nfs/dbraw/zinc/90/36/87/1164903687.db2.gz GKMNNSJGAYRHHG-UHFFFAOYSA-N -1 1 298.306 1.382 20 0 CDADMM COCc1cccc(COc2cnc(-c3nn[n-]n3)nc2)c1 ZINC001609331023 1164903694 /nfs/dbraw/zinc/90/36/94/1164903694.db2.gz GKMNNSJGAYRHHG-UHFFFAOYSA-N -1 1 298.306 1.382 20 0 CDADMM COc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001609361643 1164910476 /nfs/dbraw/zinc/91/04/76/1164910476.db2.gz NWGPLIXTKAGYSN-UHFFFAOYSA-N -1 1 299.290 1.398 20 0 CDADMM COc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001609361643 1164910479 /nfs/dbraw/zinc/91/04/79/1164910479.db2.gz NWGPLIXTKAGYSN-UHFFFAOYSA-N -1 1 299.290 1.398 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cnccc1C ZINC001609439599 1164947751 /nfs/dbraw/zinc/94/77/51/1164947751.db2.gz RPUHMJNJRSMOHY-UHFFFAOYSA-N -1 1 284.279 1.724 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cnccc1C ZINC001609439599 1164947759 /nfs/dbraw/zinc/94/77/59/1164947759.db2.gz RPUHMJNJRSMOHY-UHFFFAOYSA-N -1 1 284.279 1.724 20 0 CDADMM Cc1cnc(CNc2nc(Cl)c(-c3nnn[n-]3)s2)o1 ZINC001609441298 1164949515 /nfs/dbraw/zinc/94/95/15/1164949515.db2.gz XXZWSKGWUZVBSJ-UHFFFAOYSA-N -1 1 297.731 1.885 20 0 CDADMM Cc1cnc(CNc2nc(Cl)c(-c3nn[n-]n3)s2)o1 ZINC001609441298 1164949519 /nfs/dbraw/zinc/94/95/19/1164949519.db2.gz XXZWSKGWUZVBSJ-UHFFFAOYSA-N -1 1 297.731 1.885 20 0 CDADMM O=C(Nc1ccc(O)cc1)c1ccc(-c2nn[n-]n2)o1 ZINC001609565450 1164989457 /nfs/dbraw/zinc/98/94/57/1164989457.db2.gz JRMGVLGUSHRDPZ-UHFFFAOYSA-N -1 1 271.236 1.418 20 0 CDADMM O=C(Nc1cccnc1)c1cccc(F)c1-c1nnn[n-]1 ZINC001609568622 1164992248 /nfs/dbraw/zinc/99/22/48/1164992248.db2.gz FGXXGTWZPRYFQD-UHFFFAOYSA-N -1 1 284.254 1.653 20 0 CDADMM O=C(Nc1cccnc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001609568622 1164992254 /nfs/dbraw/zinc/99/22/54/1164992254.db2.gz FGXXGTWZPRYFQD-UHFFFAOYSA-N -1 1 284.254 1.653 20 0 CDADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N[C@@H]1CC12CC2 ZINC001609618096 1165011988 /nfs/dbraw/zinc/01/19/88/1165011988.db2.gz QBMUDSQKHGSKHD-CYBMUJFWSA-N -1 1 278.319 1.801 20 0 CDADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N[C@@H]1CC12CC2 ZINC001609618096 1165011993 /nfs/dbraw/zinc/01/19/93/1165011993.db2.gz QBMUDSQKHGSKHD-CYBMUJFWSA-N -1 1 278.319 1.801 20 0 CDADMM c1ccc2ncc(Oc3cnc(-c4nnn[n-]4)cn3)cc2c1 ZINC001609618573 1165015776 /nfs/dbraw/zinc/01/57/76/1165015776.db2.gz JRINLUPPBXELLP-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1ccc2ncc(Oc3cnc(-c4nn[n-]n4)cn3)cc2c1 ZINC001609618573 1165015781 /nfs/dbraw/zinc/01/57/81/1165015781.db2.gz JRINLUPPBXELLP-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM O=C([O-])Cc1cccc(NC(=O)c2c(O)cccc2F)n1 ZINC001610795071 1165444459 /nfs/dbraw/zinc/44/44/59/1165444459.db2.gz DVAVFXALXBPSFS-UHFFFAOYSA-N -1 1 290.250 1.806 20 0 CDADMM O=C([O-])c1coc(CN2CCC(Cn3ccnn3)CC2)c1 ZINC001610866889 1165467884 /nfs/dbraw/zinc/46/78/84/1165467884.db2.gz AGZWRXIENLRVRN-UHFFFAOYSA-N -1 1 290.323 1.482 20 0 CDADMM CSc1nc(NC(=O)C(F)(F)F)cc(=O)[n-]1 ZINC000013550566 1165539132 /nfs/dbraw/zinc/53/91/32/1165539132.db2.gz MBUZNJKESARNKD-UHFFFAOYSA-N -1 1 253.205 1.405 20 0 CDADMM Cn1cnnc1CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001625254755 1165894224 /nfs/dbraw/zinc/89/42/24/1165894224.db2.gz UZEMJCSCPXBYHW-UHFFFAOYSA-N -1 1 298.302 1.310 20 0 CDADMM C[C@H](NC(=O)c1ccc([O-])cn1)c1cncc(F)c1 ZINC001629579138 1166149751 /nfs/dbraw/zinc/14/97/51/1166149751.db2.gz XACAYFGGZZCQIN-QMMMGPOBSA-N -1 1 261.256 1.812 20 0 CDADMM O=C(NCc1ccc(=O)[nH]c1)c1cccc([O-])c1F ZINC001629744604 1166160409 /nfs/dbraw/zinc/16/04/09/1166160409.db2.gz PSXSIJGJPXCSGZ-UHFFFAOYSA-N -1 1 262.240 1.562 20 0 CDADMM CCCc1ncc(C(=O)Nc2c[n-][nH]c2=O)s1 ZINC001638735746 1166868341 /nfs/dbraw/zinc/86/83/41/1166868341.db2.gz XIMGZYQFAAELFZ-UHFFFAOYSA-N -1 1 252.299 1.777 20 0 CDADMM O=C(N[C@@H]1CC12CCOCC2)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155270035 1167113324 /nfs/dbraw/zinc/11/33/24/1167113324.db2.gz YLJMUQOXCHIOTJ-GFCCVEGCSA-N -1 1 287.319 1.567 20 0 CDADMM Cc1[n-][nH]c2ncnc(=NC(=O)c3cc4scnc4[nH]3)c1-2 ZINC001155517986 1167208579 /nfs/dbraw/zinc/20/85/79/1167208579.db2.gz BJFDAJLICHLUHV-UHFFFAOYSA-N -1 1 299.319 1.225 20 0 CDADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC1CCOCC1 ZINC001647104333 1168378348 /nfs/dbraw/zinc/37/83/48/1168378348.db2.gz PRDDBQNSTKWKKW-UHFFFAOYSA-N -1 1 297.380 1.369 20 0 CDADMM Cc1nnc(CCNC(=O)c2c(F)ccc([O-])c2F)n1C ZINC001647182807 1168430742 /nfs/dbraw/zinc/43/07/42/1168430742.db2.gz FMBLVJXXQAZGQJ-UHFFFAOYSA-N -1 1 296.277 1.080 20 0 CDADMM CN(C(=O)c1cnccc1Nc1ccccc1)c1nn[n-]n1 ZINC001647844707 1169066686 /nfs/dbraw/zinc/06/66/86/1169066686.db2.gz QVVNRTICTGWTHT-UHFFFAOYSA-N -1 1 295.306 1.037 20 0 CDADMM NC(=O)N1CCC[C@H](CNc2cc(Cl)[n-]c(=O)n2)C1 ZINC001649917638 1169496958 /nfs/dbraw/zinc/49/69/58/1169496958.db2.gz JQTFLTNQBMBOHB-SSDOTTSWSA-N -1 1 285.735 1.038 20 0 CDADMM CC(C)C[C@H](CNCc1ccn(C)n1)NC(=O)[O-] ZINC001573503337 1170675642 /nfs/dbraw/zinc/67/56/42/1170675642.db2.gz ZMIANQWZHIKUTL-LLVKDONJSA-N -1 1 254.334 1.192 20 0 CDADMM Cc1[nH]nc(CN2CCO[C@@H]3CCC[C@@H]32)c1C(=O)[O-] ZINC001574111804 1170885288 /nfs/dbraw/zinc/88/52/88/1170885288.db2.gz ATZJUFMAZVGDCO-WDEREUQCSA-N -1 1 265.313 1.170 20 0 CDADMM CN(C(=O)c1ccsc1-c1nnn[n-]1)c1ccccn1 ZINC001578938318 1172055924 /nfs/dbraw/zinc/05/59/24/1172055924.db2.gz JLFNJDQBCYCTRH-UHFFFAOYSA-N -1 1 286.320 1.600 20 0 CDADMM CN(C(=O)c1ccsc1-c1nn[n-]n1)c1ccccn1 ZINC001578938318 1172055935 /nfs/dbraw/zinc/05/59/35/1172055935.db2.gz JLFNJDQBCYCTRH-UHFFFAOYSA-N -1 1 286.320 1.600 20 0 CDADMM CN(Cc1n[n-]c(=O)o1)Cc1cccc2ncccc12 ZINC001659112509 1172099477 /nfs/dbraw/zinc/09/94/77/1172099477.db2.gz FLIGURPEEHZZIP-UHFFFAOYSA-N -1 1 270.292 1.955 20 0 CDADMM Cc1ccc(CCNc2cc(-c3nnn[n-]3)ncn2)nc1 ZINC001581193720 1172594112 /nfs/dbraw/zinc/59/41/12/1172594112.db2.gz SGAGTBQPSUCTQN-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1ccc(CCNc2cc(-c3nn[n-]n3)ncn2)nc1 ZINC001581193720 1172594116 /nfs/dbraw/zinc/59/41/16/1172594116.db2.gz SGAGTBQPSUCTQN-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM c1cc2c(c(Oc3cncc(-c4nnn[n-]4)n3)c1)CCC2 ZINC001582817355 1172697378 /nfs/dbraw/zinc/69/73/78/1172697378.db2.gz DSCPEJUBDGNLGZ-UHFFFAOYSA-N -1 1 280.291 1.938 20 0 CDADMM c1cc2c(c(Oc3cncc(-c4nn[n-]n4)n3)c1)CCC2 ZINC001582817355 1172697389 /nfs/dbraw/zinc/69/73/89/1172697389.db2.gz DSCPEJUBDGNLGZ-UHFFFAOYSA-N -1 1 280.291 1.938 20 0 CDADMM O=C([N-]c1nc2cnccn2n1)c1csc(Cl)n1 ZINC001588282083 1173021107 /nfs/dbraw/zinc/02/11/07/1173021107.db2.gz AGEKITXDFWWCQG-UHFFFAOYSA-N -1 1 280.700 1.487 20 0 CDADMM C[C@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1)c1ccco1 ZINC001588943644 1173116496 /nfs/dbraw/zinc/11/64/96/1173116496.db2.gz XIUOWCFSRCTGOR-VIFPVBQESA-N -1 1 298.306 1.621 20 0 CDADMM C[C@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1)c1ccco1 ZINC001588943644 1173116501 /nfs/dbraw/zinc/11/65/01/1173116501.db2.gz XIUOWCFSRCTGOR-VIFPVBQESA-N -1 1 298.306 1.621 20 0 CDADMM CC(C)[C@@]1(C)C[C@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589490222 1173149691 /nfs/dbraw/zinc/14/96/91/1173149691.db2.gz IBQWMIHBRIGRBW-DGCLKSJQSA-N -1 1 258.329 1.530 20 0 CDADMM CC(C)OC(=O)C(C)(C)NCc1ccc(-c2nnn[n-]2)o1 ZINC001589729557 1173170798 /nfs/dbraw/zinc/17/07/98/1173170798.db2.gz KJGSYWRYHHUISB-UHFFFAOYSA-N -1 1 293.327 1.280 20 0 CDADMM CC(C)OC(=O)C(C)(C)NCc1ccc(-c2nn[n-]n2)o1 ZINC001589729557 1173170805 /nfs/dbraw/zinc/17/08/05/1173170805.db2.gz KJGSYWRYHHUISB-UHFFFAOYSA-N -1 1 293.327 1.280 20 0 CDADMM CC(C)SCCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589761383 1173172479 /nfs/dbraw/zinc/17/24/79/1173172479.db2.gz MPEHMWQBPIDPHZ-UHFFFAOYSA-N -1 1 292.368 1.133 20 0 CDADMM CC(C)SCCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589761383 1173172484 /nfs/dbraw/zinc/17/24/84/1173172484.db2.gz MPEHMWQBPIDPHZ-UHFFFAOYSA-N -1 1 292.368 1.133 20 0 CDADMM CC(F)(F)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589908151 1173199613 /nfs/dbraw/zinc/19/96/13/1173199613.db2.gz HXHGUJSWYWJSBX-UHFFFAOYSA-N -1 1 269.211 1.074 20 0 CDADMM CC(F)(F)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589908151 1173199615 /nfs/dbraw/zinc/19/96/15/1173199615.db2.gz HXHGUJSWYWJSBX-UHFFFAOYSA-N -1 1 269.211 1.074 20 0 CDADMM C[C@H](O)CCOc1cccc(F)c1-c1nnn[n-]1 ZINC001589998279 1173226795 /nfs/dbraw/zinc/22/67/95/1173226795.db2.gz JHARKWJMLARTDR-ZETCQYMHSA-N -1 1 252.249 1.156 20 0 CDADMM C[C@H](O)CCOc1cccc(F)c1-c1nn[n-]n1 ZINC001589998279 1173226801 /nfs/dbraw/zinc/22/68/01/1173226801.db2.gz JHARKWJMLARTDR-ZETCQYMHSA-N -1 1 252.249 1.156 20 0 CDADMM CC1(C)C[C@H]1CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590088318 1173250799 /nfs/dbraw/zinc/25/07/99/1173250799.db2.gz RQPLSRXDEOHJAO-QMMMGPOBSA-N -1 1 287.327 1.429 20 0 CDADMM CC1(C)C[C@H]1CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590088318 1173250801 /nfs/dbraw/zinc/25/08/01/1173250801.db2.gz RQPLSRXDEOHJAO-QMMMGPOBSA-N -1 1 287.327 1.429 20 0 CDADMM CC1(C)CCC[C@@]1(O)CNc1cc(-c2nnn[n-]2)ncn1 ZINC001590098451 1173257513 /nfs/dbraw/zinc/25/75/13/1173257513.db2.gz SNNGVKMSFXTQNN-CYBMUJFWSA-N -1 1 289.343 1.010 20 0 CDADMM CC1(C)CCC[C@@]1(O)CNc1cc(-c2nn[n-]n2)ncn1 ZINC001590098451 1173257519 /nfs/dbraw/zinc/25/75/19/1173257519.db2.gz SNNGVKMSFXTQNN-CYBMUJFWSA-N -1 1 289.343 1.010 20 0 CDADMM CC1(NC(=O)c2ccnc(-c3nnn[n-]3)c2)CCCC1 ZINC001590146202 1173271997 /nfs/dbraw/zinc/27/19/97/1173271997.db2.gz QEBBEYYRASIWGJ-UHFFFAOYSA-N -1 1 272.312 1.324 20 0 CDADMM CC1(NC(=O)c2ccnc(-c3nn[n-]n3)c2)CCCC1 ZINC001590146202 1173272006 /nfs/dbraw/zinc/27/20/06/1173272006.db2.gz QEBBEYYRASIWGJ-UHFFFAOYSA-N -1 1 272.312 1.324 20 0 CDADMM C[C@]1(c2ccccc2)C[C@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590152028 1173272278 /nfs/dbraw/zinc/27/22/78/1173272278.db2.gz QFIOGHIWXULSOJ-GDBMZVCRSA-N -1 1 292.346 1.826 20 0 CDADMM C[C@]1(c2ccccc2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590152028 1173272282 /nfs/dbraw/zinc/27/22/82/1173272282.db2.gz QFIOGHIWXULSOJ-GDBMZVCRSA-N -1 1 292.346 1.826 20 0 CDADMM CC1(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)CCC1 ZINC001590145048 1173273195 /nfs/dbraw/zinc/27/31/95/1173273195.db2.gz AGPRFPKJGPELNF-UHFFFAOYSA-N -1 1 293.277 1.817 20 0 CDADMM C[C@@H]1C[C@H](C(=O)Nc2ncc(-c3nnn[n-]3)s2)[C@H](C)O1 ZINC001590184556 1173282492 /nfs/dbraw/zinc/28/24/92/1173282492.db2.gz HFDQWGRQVMOREN-VQVTYTSYSA-N -1 1 294.340 1.075 20 0 CDADMM C[C@@H]1C[C@H](C(=O)Nc2ncc(-c3nn[n-]n3)s2)[C@H](C)O1 ZINC001590184556 1173282499 /nfs/dbraw/zinc/28/24/99/1173282499.db2.gz HFDQWGRQVMOREN-VQVTYTSYSA-N -1 1 294.340 1.075 20 0 CDADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590220088 1173302605 /nfs/dbraw/zinc/30/26/05/1173302605.db2.gz RFGLMFOTTZINFO-YKDSUIRESA-N -1 1 287.323 1.482 20 0 CDADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590220088 1173302612 /nfs/dbraw/zinc/30/26/12/1173302612.db2.gz RFGLMFOTTZINFO-YKDSUIRESA-N -1 1 287.323 1.482 20 0 CDADMM C[C@@H]1CCC[C@H](CNc2cc(-c3nnn[n-]3)ncn2)O1 ZINC001590240505 1173315516 /nfs/dbraw/zinc/31/55/16/1173315516.db2.gz DJLQONCZGQCHQY-RKDXNWHRSA-N -1 1 275.316 1.026 20 0 CDADMM C[C@@H]1CCC[C@H](CNc2cc(-c3nn[n-]n3)ncn2)O1 ZINC001590240505 1173315521 /nfs/dbraw/zinc/31/55/21/1173315521.db2.gz DJLQONCZGQCHQY-RKDXNWHRSA-N -1 1 275.316 1.026 20 0 CDADMM C[C@@H]1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)O1 ZINC001590244550 1173318318 /nfs/dbraw/zinc/31/83/18/1173318318.db2.gz TZKJZVMHUVYQJI-RKDXNWHRSA-N -1 1 275.316 1.026 20 0 CDADMM C[C@@H]1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)O1 ZINC001590244550 1173318326 /nfs/dbraw/zinc/31/83/26/1173318326.db2.gz TZKJZVMHUVYQJI-RKDXNWHRSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC001590475106 1173426505 /nfs/dbraw/zinc/42/65/05/1173426505.db2.gz RBFJUUIREIEQBQ-ZJUUUORDSA-N -1 1 289.343 1.274 20 0 CDADMM CC[C@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC001590475106 1173426509 /nfs/dbraw/zinc/42/65/09/1173426509.db2.gz RBFJUUIREIEQBQ-ZJUUUORDSA-N -1 1 289.343 1.274 20 0 CDADMM CCC1(O)CCN(c2cc(C)nc(-c3nnn[n-]3)c2)CC1 ZINC001590500154 1173436329 /nfs/dbraw/zinc/43/63/29/1173436329.db2.gz PKIWDBZVZBEOAL-UHFFFAOYSA-N -1 1 288.355 1.311 20 0 CDADMM CCC1(O)CCN(c2cc(C)nc(-c3nn[n-]n3)c2)CC1 ZINC001590500154 1173436337 /nfs/dbraw/zinc/43/63/37/1173436337.db2.gz PKIWDBZVZBEOAL-UHFFFAOYSA-N -1 1 288.355 1.311 20 0 CDADMM CC[C@H]1CCC[C@@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590508990 1173442876 /nfs/dbraw/zinc/44/28/76/1173442876.db2.gz TYQZQIPSMRMLMS-YUMQZZPRSA-N -1 1 275.316 1.355 20 0 CDADMM CC[C@H]1CCC[C@@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590508990 1173442881 /nfs/dbraw/zinc/44/28/81/1173442881.db2.gz TYQZQIPSMRMLMS-YUMQZZPRSA-N -1 1 275.316 1.355 20 0 CDADMM CCCN(c1cc(-c2nnn[n-]2)nc(C2CC2)n1)C1CC1 ZINC001590632234 1173478822 /nfs/dbraw/zinc/47/88/22/1173478822.db2.gz ILHSJBVGAQZDLA-UHFFFAOYSA-N -1 1 285.355 1.913 20 0 CDADMM CCCN(c1cc(-c2nn[n-]n2)nc(C2CC2)n1)C1CC1 ZINC001590632234 1173478827 /nfs/dbraw/zinc/47/88/27/1173478827.db2.gz ILHSJBVGAQZDLA-UHFFFAOYSA-N -1 1 285.355 1.913 20 0 CDADMM CCN(c1ccnc(-c2nnn[n-]2)c1)[C@H]1CCCOC1 ZINC001590725117 1173501600 /nfs/dbraw/zinc/50/16/00/1173501600.db2.gz MMHVDJALWLDMCO-NSHDSACASA-N -1 1 274.328 1.267 20 0 CDADMM CCN(c1ccnc(-c2nn[n-]n2)c1)[C@H]1CCCOC1 ZINC001590725117 1173501602 /nfs/dbraw/zinc/50/16/02/1173501602.db2.gz MMHVDJALWLDMCO-NSHDSACASA-N -1 1 274.328 1.267 20 0 CDADMM CCON(CC)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590818701 1173521111 /nfs/dbraw/zinc/52/11/11/1173521111.db2.gz HSWXGZAKYLAUFR-UHFFFAOYSA-N -1 1 275.316 1.312 20 0 CDADMM CC[C@@H]1C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590860483 1173529758 /nfs/dbraw/zinc/52/97/58/1173529758.db2.gz XZPQZNHIYKPYJF-SFYZADRCSA-N -1 1 277.353 1.704 20 0 CDADMM CC[C@@H]1C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590860483 1173529761 /nfs/dbraw/zinc/52/97/61/1173529761.db2.gz XZPQZNHIYKPYJF-SFYZADRCSA-N -1 1 277.353 1.704 20 0 CDADMM CC[C@@H]1C[C@H]1CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590860137 1173531820 /nfs/dbraw/zinc/53/18/20/1173531820.db2.gz MEOFWMJQILWXFY-BDAKNGLRSA-N -1 1 289.314 1.782 20 0 CDADMM CC[C@@H]1C[C@H]1CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590860137 1173531825 /nfs/dbraw/zinc/53/18/25/1173531825.db2.gz MEOFWMJQILWXFY-BDAKNGLRSA-N -1 1 289.314 1.782 20 0 CDADMM CCc1nc(NC[C@H]2CCC=CO2)cc(-c2nnn[n-]2)n1 ZINC001590918107 1173543145 /nfs/dbraw/zinc/54/31/45/1173543145.db2.gz QHUOODATFSYKSU-SECBINFHSA-N -1 1 287.327 1.324 20 0 CDADMM CCc1nc(NC[C@H]2CCC=CO2)cc(-c2nn[n-]n2)n1 ZINC001590918107 1173543147 /nfs/dbraw/zinc/54/31/47/1173543147.db2.gz QHUOODATFSYKSU-SECBINFHSA-N -1 1 287.327 1.324 20 0 CDADMM CCn1ccc(NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001590959544 1173551067 /nfs/dbraw/zinc/55/10/67/1173551067.db2.gz KRTPZYNJTJFUHQ-UHFFFAOYSA-N -1 1 276.329 1.152 20 0 CDADMM CCn1ccc(NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001590959544 1173551070 /nfs/dbraw/zinc/55/10/70/1173551070.db2.gz KRTPZYNJTJFUHQ-UHFFFAOYSA-N -1 1 276.329 1.152 20 0 CDADMM CO[C@H](C)CN(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001591323170 1173609407 /nfs/dbraw/zinc/60/94/07/1173609407.db2.gz PWHWVNXCZWSOMA-SSDOTTSWSA-N -1 1 282.735 1.386 20 0 CDADMM CO[C@H](C)CN(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001591323170 1173609413 /nfs/dbraw/zinc/60/94/13/1173609413.db2.gz PWHWVNXCZWSOMA-SSDOTTSWSA-N -1 1 282.735 1.386 20 0 CDADMM CO[C@H]1CC[C@H](Nc2cc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001591351400 1173626686 /nfs/dbraw/zinc/62/66/86/1173626686.db2.gz MLSFGRDODJUCCX-UWVGGRQHSA-N -1 1 274.328 1.550 20 0 CDADMM CO[C@H]1CC[C@H](Nc2cc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001591351400 1173626690 /nfs/dbraw/zinc/62/66/90/1173626690.db2.gz MLSFGRDODJUCCX-UWVGGRQHSA-N -1 1 274.328 1.550 20 0 CDADMM CO[C@H]1CCC[C@@H]1Sc1cccnc1-c1nnn[n-]1 ZINC001591363430 1173630261 /nfs/dbraw/zinc/63/02/61/1173630261.db2.gz WQKMWZNPNQIIAU-IUCAKERBSA-N -1 1 277.353 1.921 20 0 CDADMM CO[C@H]1CCC[C@@H]1Sc1cccnc1-c1nn[n-]n1 ZINC001591363430 1173630264 /nfs/dbraw/zinc/63/02/64/1173630264.db2.gz WQKMWZNPNQIIAU-IUCAKERBSA-N -1 1 277.353 1.921 20 0 CDADMM CO[C@@H]1CN(c2cc(C)cc(-c3nnn[n-]3)n2)CC[C@@H]1C ZINC001591362648 1173631894 /nfs/dbraw/zinc/63/18/94/1173631894.db2.gz RHVCPDJQNSPHHA-CMPLNLGQSA-N -1 1 288.355 1.431 20 0 CDADMM CO[C@@H]1CN(c2cc(C)cc(-c3nn[n-]n3)n2)CC[C@@H]1C ZINC001591362648 1173631897 /nfs/dbraw/zinc/63/18/97/1173631897.db2.gz RHVCPDJQNSPHHA-CMPLNLGQSA-N -1 1 288.355 1.431 20 0 CDADMM COc1c(-c2nn[n-]n2)ccc(=O)n1C[C@@H](C)C(C)(C)C ZINC001591473626 1173659143 /nfs/dbraw/zinc/65/91/43/1173659143.db2.gz KWOGFUMZVQGELE-SECBINFHSA-N -1 1 291.355 1.719 20 0 CDADMM COc1ccc([C@H](C)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001591575897 1173670969 /nfs/dbraw/zinc/67/09/69/1173670969.db2.gz GOLQHFDWZMPXLR-SECBINFHSA-N -1 1 285.311 1.271 20 0 CDADMM COc1ccc(Cn2cc(-c3nn[n-]n3)nn2)cc1Cl ZINC001591604800 1173674287 /nfs/dbraw/zinc/67/42/87/1173674287.db2.gz HHVHCFNEHPJWCV-UHFFFAOYSA-N -1 1 291.702 1.169 20 0 CDADMM COc1cccc(CNc2ncncc2-c2nn[n-]n2)c1 ZINC001591639976 1173675935 /nfs/dbraw/zinc/67/59/35/1173675935.db2.gz OJWZYEVLRVUCHM-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM C[C@@H]1COC[C@H]1OC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591752503 1173695248 /nfs/dbraw/zinc/69/52/48/1173695248.db2.gz MUXARCRSEGTDQX-GMSGAONNSA-N -1 1 292.270 1.198 20 0 CDADMM C[C@@H]1COC[C@H]1OC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591752503 1173695254 /nfs/dbraw/zinc/69/52/54/1173695254.db2.gz MUXARCRSEGTDQX-GMSGAONNSA-N -1 1 292.270 1.198 20 0 CDADMM Cc1cc(-c2nn[nH]n2)cc(C)c1C[N@@H+](C)CCC(=O)[O-] ZINC001591846794 1173714669 /nfs/dbraw/zinc/71/46/69/1173714669.db2.gz PBVMAKUTEKHOJS-UHFFFAOYSA-N -1 1 289.339 1.390 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C)C[C@H](C)[C@H]2C)n1 ZINC001591884419 1173739084 /nfs/dbraw/zinc/73/90/84/1173739084.db2.gz ZMPLEKVLEXKIJL-WCABBAIRSA-N -1 1 287.371 1.836 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](C)C[C@H](C)[C@H]2C)n1 ZINC001591884419 1173739092 /nfs/dbraw/zinc/73/90/92/1173739092.db2.gz ZMPLEKVLEXKIJL-WCABBAIRSA-N -1 1 287.371 1.836 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCCCC2(O)CCC2)n1 ZINC001591898670 1173743976 /nfs/dbraw/zinc/74/39/76/1173743976.db2.gz SUJOHPWZGPLURM-UHFFFAOYSA-N -1 1 289.343 1.072 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCCCC2(O)CCC2)n1 ZINC001591898670 1173743980 /nfs/dbraw/zinc/74/39/80/1173743980.db2.gz SUJOHPWZGPLURM-UHFFFAOYSA-N -1 1 289.343 1.072 20 0 CDADMM Cc1cc(C(=O)OCc2cccnc2-c2nnn[n-]2)c(C)o1 ZINC001591937822 1173750666 /nfs/dbraw/zinc/75/06/66/1173750666.db2.gz NVNHFSSBQMYUOT-UHFFFAOYSA-N -1 1 299.290 1.829 20 0 CDADMM Cc1cc(C(=O)OCc2cccnc2-c2nn[n-]n2)c(C)o1 ZINC001591937822 1173750672 /nfs/dbraw/zinc/75/06/72/1173750672.db2.gz NVNHFSSBQMYUOT-UHFFFAOYSA-N -1 1 299.290 1.829 20 0 CDADMM Cc1cc(N2CCOC3(CCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001592009536 1173771141 /nfs/dbraw/zinc/77/11/41/1173771141.db2.gz ZXEUCCBYXNDYQZ-UHFFFAOYSA-N -1 1 286.339 1.329 20 0 CDADMM Cc1cc(N2CCOC3(CCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001592009536 1173771144 /nfs/dbraw/zinc/77/11/44/1173771144.db2.gz ZXEUCCBYXNDYQZ-UHFFFAOYSA-N -1 1 286.339 1.329 20 0 CDADMM Cc1cc(N[C@H]2CCOC(C)(C)C2)nc(-c2nnn[n-]2)c1 ZINC001592040203 1173780807 /nfs/dbraw/zinc/78/08/07/1173780807.db2.gz JXSFOCDRUMUGSO-JTQLQIEISA-N -1 1 288.355 1.940 20 0 CDADMM Cc1cc(N[C@H]2CCOC(C)(C)C2)nc(-c2nn[n-]n2)c1 ZINC001592040203 1173780809 /nfs/dbraw/zinc/78/08/09/1173780809.db2.gz JXSFOCDRUMUGSO-JTQLQIEISA-N -1 1 288.355 1.940 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1C[C@H](C)[C@H](C)C1 ZINC001592110230 1173802453 /nfs/dbraw/zinc/80/24/53/1173802453.db2.gz LXEHZMCWGYMOKU-AOOOYVTPSA-N -1 1 258.329 1.662 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCC[C@H]1CCCO1 ZINC001592112163 1173803060 /nfs/dbraw/zinc/80/30/60/1173803060.db2.gz DNHRUPVPEGPSRU-SNVBAGLBSA-N -1 1 274.328 1.551 20 0 CDADMM Cc1ccc(COC(=O)c2cccc(-c3nnn[n-]3)n2)nc1 ZINC001592167675 1173820640 /nfs/dbraw/zinc/82/06/40/1173820640.db2.gz MRQKWIFILRWFHD-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1ccc(COC(=O)c2cccc(-c3nn[n-]n3)n2)nc1 ZINC001592167675 1173820645 /nfs/dbraw/zinc/82/06/45/1173820645.db2.gz MRQKWIFILRWFHD-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1ccc(N(C)[C@H]2CC[C@H](O)CC2)nc1-c1nnn[n-]1 ZINC001592176158 1173823376 /nfs/dbraw/zinc/82/33/76/1173823376.db2.gz WYLZOBKZZARRHR-XYPYZODXSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1ccc(N(C)[C@H]2CC[C@H](O)CC2)nc1-c1nn[n-]n1 ZINC001592176158 1173823380 /nfs/dbraw/zinc/82/33/80/1173823380.db2.gz WYLZOBKZZARRHR-XYPYZODXSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1ccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)o2)nc1 ZINC001592174637 1173823834 /nfs/dbraw/zinc/82/38/34/1173823834.db2.gz BMSJPJUQZXHPPS-UHFFFAOYSA-N -1 1 284.279 1.440 20 0 CDADMM Cc1ccc(N2C[C@@H](C)[C@@](C)(CO)C2)nc1-c1nnn[n-]1 ZINC001592174416 1173823891 /nfs/dbraw/zinc/82/38/91/1173823891.db2.gz DKNBZNFPIJKBNP-QMTHXVAHSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(N2C[C@@H](C)[C@@](C)(CO)C2)nc1-c1nn[n-]n1 ZINC001592174416 1173823899 /nfs/dbraw/zinc/82/38/99/1173823899.db2.gz DKNBZNFPIJKBNP-QMTHXVAHSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccccc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001592258656 1173839008 /nfs/dbraw/zinc/83/90/08/1173839008.db2.gz HOKPXCPYYDNSMX-UHFFFAOYSA-N -1 1 294.318 1.751 20 0 CDADMM Cc1ccccc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001592258656 1173839012 /nfs/dbraw/zinc/83/90/12/1173839012.db2.gz HOKPXCPYYDNSMX-UHFFFAOYSA-N -1 1 294.318 1.751 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@H](C)[C@H]2C)n1 ZINC001592338068 1173859712 /nfs/dbraw/zinc/85/97/12/1173859712.db2.gz UUWSSSWMXUEZPU-JGVFFNPUSA-N -1 1 259.317 1.200 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@H](C)[C@H]2C)n1 ZINC001592338068 1173859716 /nfs/dbraw/zinc/85/97/16/1173859716.db2.gz UUWSSSWMXUEZPU-JGVFFNPUSA-N -1 1 259.317 1.200 20 0 CDADMM Cc1nc(N[C@@H](C)[C@@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001592378141 1173873169 /nfs/dbraw/zinc/87/31/69/1173873169.db2.gz DGLJGEKOKWAPDM-WCBMZHEXSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1nc(N[C@@H](C)[C@@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001592378141 1173873176 /nfs/dbraw/zinc/87/31/76/1173873176.db2.gz DGLJGEKOKWAPDM-WCBMZHEXSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1nc(NC[C@H]2CCCS2)cc(-c2nnn[n-]2)n1 ZINC001592385957 1173876538 /nfs/dbraw/zinc/87/65/38/1173876538.db2.gz IAAMEHSXFVPEKI-MRVPVSSYSA-N -1 1 277.357 1.273 20 0 CDADMM Cc1nc(NC[C@H]2CCCS2)cc(-c2nn[n-]n2)n1 ZINC001592385957 1173876543 /nfs/dbraw/zinc/87/65/43/1173876543.db2.gz IAAMEHSXFVPEKI-MRVPVSSYSA-N -1 1 277.357 1.273 20 0 CDADMM Cc1nn(C)c(NC(=O)CCC(C)(F)F)c1-c1nnn[n-]1 ZINC001592433777 1173886395 /nfs/dbraw/zinc/88/63/95/1173886395.db2.gz JDJIUEBYBJAMRP-UHFFFAOYSA-N -1 1 299.285 1.283 20 0 CDADMM Cc1nn(C)c(NC(=O)CCC(C)(F)F)c1-c1nn[n-]n1 ZINC001592433777 1173886397 /nfs/dbraw/zinc/88/63/97/1173886397.db2.gz JDJIUEBYBJAMRP-UHFFFAOYSA-N -1 1 299.285 1.283 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC1CCCC1 ZINC001592499984 1173908477 /nfs/dbraw/zinc/90/84/77/1173908477.db2.gz UBXZISNSRFVQFJ-UHFFFAOYSA-N -1 1 261.285 1.441 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC1CCCC1 ZINC001592499984 1173908480 /nfs/dbraw/zinc/90/84/80/1173908480.db2.gz UBXZISNSRFVQFJ-UHFFFAOYSA-N -1 1 261.285 1.441 20 0 CDADMM Clc1ccc(NCC2=CCCOC2)nc1-c1nnn[n-]1 ZINC001592531887 1173913552 /nfs/dbraw/zinc/91/35/52/1173913552.db2.gz FZWUJVIQJVJXIS-UHFFFAOYSA-N -1 1 292.730 1.674 20 0 CDADMM Clc1ccc(NCC2=CCCOC2)nc1-c1nn[n-]n1 ZINC001592531887 1173913554 /nfs/dbraw/zinc/91/35/54/1173913554.db2.gz FZWUJVIQJVJXIS-UHFFFAOYSA-N -1 1 292.730 1.674 20 0 CDADMM FCCCCCOc1cnc(-c2nn[n-]n2)nc1 ZINC001592629484 1173938931 /nfs/dbraw/zinc/93/89/31/1173938931.db2.gz GCLXNVHUSQEAGD-UHFFFAOYSA-N -1 1 252.253 1.175 20 0 CDADMM Fc1ccc(OCc2nccs2)c(-c2nn[n-]n2)n1 ZINC001592652904 1173955367 /nfs/dbraw/zinc/95/53/67/1173955367.db2.gz ZPZZCBUGBGBMNA-UHFFFAOYSA-N -1 1 278.272 1.436 20 0 CDADMM Fc1cccc2c1CCN(c1cc(-c3nnn[n-]3)ncn1)C2 ZINC001592658891 1173958306 /nfs/dbraw/zinc/95/83/06/1173958306.db2.gz YRQJFGDRANNXPP-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM Fc1cccc2c1CCN(c1cc(-c3nn[n-]n3)ncn1)C2 ZINC001592658891 1173958308 /nfs/dbraw/zinc/95/83/08/1173958308.db2.gz YRQJFGDRANNXPP-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM O=C(C=C1CCCCC1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592790123 1173987945 /nfs/dbraw/zinc/98/79/45/1173987945.db2.gz HPLVCKUKLLWGEL-UHFFFAOYSA-N -1 1 298.350 1.768 20 0 CDADMM O=C(C=C1CCCCC1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592790123 1173987949 /nfs/dbraw/zinc/98/79/49/1173987949.db2.gz HPLVCKUKLLWGEL-UHFFFAOYSA-N -1 1 298.350 1.768 20 0 CDADMM O=C(CC[C@@H]1CCCO1)OCc1ccc(-c2nnn[n-]2)o1 ZINC001592831588 1173994754 /nfs/dbraw/zinc/99/47/54/1173994754.db2.gz VXFHVSBRFDWQCQ-VIFPVBQESA-N -1 1 292.295 1.462 20 0 CDADMM O=C(CC[C@@H]1CCCO1)OCc1ccc(-c2nn[n-]n2)o1 ZINC001592831588 1173994759 /nfs/dbraw/zinc/99/47/59/1173994759.db2.gz VXFHVSBRFDWQCQ-VIFPVBQESA-N -1 1 292.295 1.462 20 0 CDADMM O=C(CCC(F)F)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592829361 1173995360 /nfs/dbraw/zinc/99/53/60/1173995360.db2.gz UVVDRWFZVNGZPS-UHFFFAOYSA-N -1 1 297.269 1.451 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OC[C@H]1CC1(F)F ZINC001592914958 1174002891 /nfs/dbraw/zinc/00/28/91/1174002891.db2.gz OBAPQBUFCAFVLK-MRVPVSSYSA-N -1 1 295.249 1.003 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OC[C@H]1CC1(F)F ZINC001592914958 1174002896 /nfs/dbraw/zinc/00/28/96/1174002896.db2.gz OBAPQBUFCAFVLK-MRVPVSSYSA-N -1 1 295.249 1.003 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)O[C@@H]1CCC12CCC2 ZINC001592915106 1174004396 /nfs/dbraw/zinc/00/43/96/1174004396.db2.gz PWUHQJMUAKVFED-GFCCVEGCSA-N -1 1 299.334 1.680 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)O[C@@H]1CCC12CCC2 ZINC001592915106 1174004407 /nfs/dbraw/zinc/00/44/07/1174004407.db2.gz PWUHQJMUAKVFED-GFCCVEGCSA-N -1 1 299.334 1.680 20 0 CDADMM O=C(NCC[C@@H]1CC=CCC1)c1coc(-c2nnn[n-]2)c1 ZINC001593061897 1174018328 /nfs/dbraw/zinc/01/83/28/1174018328.db2.gz SPMIGULKRGDFMJ-SNVBAGLBSA-N -1 1 287.323 1.936 20 0 CDADMM O=C(NCC[C@@H]1CC=CCC1)c1coc(-c2nn[n-]n2)c1 ZINC001593061897 1174018335 /nfs/dbraw/zinc/01/83/35/1174018335.db2.gz SPMIGULKRGDFMJ-SNVBAGLBSA-N -1 1 287.323 1.936 20 0 CDADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)C1(CF)CCC1 ZINC001593148810 1174027862 /nfs/dbraw/zinc/02/78/62/1174027862.db2.gz CHVHQDFGFULSDY-UHFFFAOYSA-N -1 1 296.331 1.079 20 0 CDADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)C1(CF)CCC1 ZINC001593148810 1174027871 /nfs/dbraw/zinc/02/78/71/1174027871.db2.gz CHVHQDFGFULSDY-UHFFFAOYSA-N -1 1 296.331 1.079 20 0 CDADMM O=C(Nc1ncccc1Cl)c1coc(-c2nnn[n-]2)c1 ZINC001593268018 1174045829 /nfs/dbraw/zinc/04/58/29/1174045829.db2.gz OXDQKOHLWCJTFH-UHFFFAOYSA-N -1 1 290.670 1.760 20 0 CDADMM O=C(Nc1ncccc1Cl)c1coc(-c2nn[n-]n2)c1 ZINC001593268018 1174045835 /nfs/dbraw/zinc/04/58/35/1174045835.db2.gz OXDQKOHLWCJTFH-UHFFFAOYSA-N -1 1 290.670 1.760 20 0 CDADMM O=C(OCC1(O)CCCC1)c1csc(-c2nnn[n-]2)c1 ZINC001593282994 1174049541 /nfs/dbraw/zinc/04/95/41/1174049541.db2.gz JQWKVCKBLWRQNA-UHFFFAOYSA-N -1 1 294.336 1.390 20 0 CDADMM O=C(OCC1(O)CCCC1)c1csc(-c2nn[n-]n2)c1 ZINC001593282994 1174049546 /nfs/dbraw/zinc/04/95/46/1174049546.db2.gz JQWKVCKBLWRQNA-UHFFFAOYSA-N -1 1 294.336 1.390 20 0 CDADMM O=C(OC[C@@H]1CCOC1)c1sccc1-c1nn[n-]n1 ZINC001593285226 1174050998 /nfs/dbraw/zinc/05/09/98/1174050998.db2.gz YSYQRMHHMGTOTQ-SSDOTTSWSA-N -1 1 280.309 1.122 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCCC(F)(F)C1 ZINC001593340492 1174068263 /nfs/dbraw/zinc/06/82/63/1174068263.db2.gz NDWISMIWVZETIH-UHFFFAOYSA-N -1 1 283.238 1.331 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCCC(F)(F)C1 ZINC001593340492 1174068271 /nfs/dbraw/zinc/06/82/71/1174068271.db2.gz NDWISMIWVZETIH-UHFFFAOYSA-N -1 1 283.238 1.331 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1ccc(Cl)cc1 ZINC001593494750 1174086104 /nfs/dbraw/zinc/08/61/04/1174086104.db2.gz VRTYNUWMTNNPAA-UHFFFAOYSA-N -1 1 287.710 1.730 20 0 CDADMM O[C@H](COc1cccnc1-c1nnn[n-]1)c1ccccc1 ZINC001593511902 1174092858 /nfs/dbraw/zinc/09/28/58/1174092858.db2.gz LYJUSWSKOBPDTI-LLVKDONJSA-N -1 1 283.291 1.374 20 0 CDADMM O[C@H](COc1cccnc1-c1nn[n-]n1)c1ccccc1 ZINC001593511902 1174092865 /nfs/dbraw/zinc/09/28/65/1174092865.db2.gz LYJUSWSKOBPDTI-LLVKDONJSA-N -1 1 283.291 1.374 20 0 CDADMM OCC[C@H]1CCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001593530725 1174105667 /nfs/dbraw/zinc/10/56/67/1174105667.db2.gz RGROUMQIILWRLS-MRVPVSSYSA-N -1 1 294.746 1.266 20 0 CDADMM OCC[C@H]1CCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001593530725 1174105670 /nfs/dbraw/zinc/10/56/70/1174105670.db2.gz RGROUMQIILWRLS-MRVPVSSYSA-N -1 1 294.746 1.266 20 0 CDADMM c1c(-c2nnn[n-]2)nc(C2CC2)nc1N1CCC[C@@H]2C[C@@H]21 ZINC001593544076 1174114067 /nfs/dbraw/zinc/11/40/67/1174114067.db2.gz RLVNPOXKKZMCIG-KOLCDFICSA-N -1 1 283.339 1.523 20 0 CDADMM c1c(-c2nn[n-]n2)nc(C2CC2)nc1N1CCC[C@@H]2C[C@@H]21 ZINC001593544076 1174114071 /nfs/dbraw/zinc/11/40/71/1174114071.db2.gz RLVNPOXKKZMCIG-KOLCDFICSA-N -1 1 283.339 1.523 20 0 CDADMM c1nc(CCNc2ccnc(-c3nnn[n-]3)c2)cs1 ZINC001593560452 1174135652 /nfs/dbraw/zinc/13/56/52/1174135652.db2.gz FUDDRVGZUNHJAP-UHFFFAOYSA-N -1 1 273.325 1.373 20 0 CDADMM c1nc(CCNc2ccnc(-c3nn[n-]n3)c2)cs1 ZINC001593560452 1174135655 /nfs/dbraw/zinc/13/56/55/1174135655.db2.gz FUDDRVGZUNHJAP-UHFFFAOYSA-N -1 1 273.325 1.373 20 0 CDADMM c1nc(-c2nn[n-]n2)nn1CCCCc1ccccc1 ZINC001593572073 1174142847 /nfs/dbraw/zinc/14/28/47/1174142847.db2.gz OIZSDHVLDIMTOO-UHFFFAOYSA-N -1 1 269.312 1.481 20 0 CDADMM c1ccc(C2(CNc3ccnc(-c4nnn[n-]4)c3)CC2)nc1 ZINC001593570777 1174143189 /nfs/dbraw/zinc/14/31/89/1174143189.db2.gz IVUDYCXIGIEOSY-UHFFFAOYSA-N -1 1 293.334 1.222 20 0 CDADMM c1ccc(C2(CNc3ccnc(-c4nn[n-]n4)c3)CC2)nc1 ZINC001593570777 1174143192 /nfs/dbraw/zinc/14/31/92/1174143192.db2.gz IVUDYCXIGIEOSY-UHFFFAOYSA-N -1 1 293.334 1.222 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCC2SCCS2)c1 ZINC001593584840 1174153120 /nfs/dbraw/zinc/15/31/20/1174153120.db2.gz OZBSLGUKLAWSGG-UHFFFAOYSA-N -1 1 280.382 1.480 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCC2SCCS2)c1 ZINC001593584840 1174153123 /nfs/dbraw/zinc/15/31/23/1174153123.db2.gz OZBSLGUKLAWSGG-UHFFFAOYSA-N -1 1 280.382 1.480 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N(CCC2CC2)CC2CC2)n1 ZINC001593588658 1174155186 /nfs/dbraw/zinc/15/51/86/1174155186.db2.gz FNPPCSKOGZMVBV-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N(CCC2CC2)CC2CC2)n1 ZINC001593588658 1174155189 /nfs/dbraw/zinc/15/51/89/1174155189.db2.gz FNPPCSKOGZMVBV-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1N[C@H]1CCCC12CC2 ZINC001593590486 1174158434 /nfs/dbraw/zinc/15/84/34/1174158434.db2.gz VGGINRYCAUFKNF-VIFPVBQESA-N -1 1 257.301 1.401 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1N[C@H]1CCCC12CC2 ZINC001593590486 1174158437 /nfs/dbraw/zinc/15/84/37/1174158437.db2.gz VGGINRYCAUFKNF-VIFPVBQESA-N -1 1 257.301 1.401 20 0 CDADMM c1nnc(NCc2csc(-c3nn[n-]n3)c2)n1C1CC1 ZINC001593596096 1174167735 /nfs/dbraw/zinc/16/77/35/1174167735.db2.gz LXFUUCCOHPFBAR-UHFFFAOYSA-N -1 1 288.340 1.467 20 0 CDADMM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@H]2N1Cc1cccc(F)n1 ZINC001594341048 1174183653 /nfs/dbraw/zinc/18/36/53/1174183653.db2.gz RRZJSJOZMHUWHO-FOUMNBMASA-N -1 1 294.326 1.816 20 0 CDADMM O=C(NCc1cncc(F)c1)c1ccc([O-])c(F)c1 ZINC001595462605 1174205783 /nfs/dbraw/zinc/20/57/83/1174205783.db2.gz IPEVUSNESBBQNP-UHFFFAOYSA-N -1 1 264.231 1.995 20 0 CDADMM Cc1cc(NC(=O)c2cncc3nc[nH]c32)c(C(=O)[O-])[nH]1 ZINC001600278627 1174435363 /nfs/dbraw/zinc/43/53/63/1174435363.db2.gz JVBYPWHCDIXIMR-UHFFFAOYSA-N -1 1 285.263 1.545 20 0 CDADMM Cc1ccc([C@H](N)C(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC001600380389 1174459544 /nfs/dbraw/zinc/45/95/44/1174459544.db2.gz IRRGNUSKJVEZGA-SMDDNHRTSA-N -1 1 280.299 1.020 20 0 CDADMM Cc1ccc(CN2CC[C@H](n3cc(C(=O)[O-])nn3)C2)cn1 ZINC001600412478 1174467006 /nfs/dbraw/zinc/46/70/06/1174467006.db2.gz INYRMELRWIKYTJ-LBPRGKRZSA-N -1 1 287.323 1.127 20 0 CDADMM Cc1ccc(NC(=O)Cc2cnc[nH]2)c(C(=O)[O-])c1C ZINC001600448280 1174478863 /nfs/dbraw/zinc/47/88/63/1174478863.db2.gz HNKOWDNMCUDEHY-UHFFFAOYSA-N -1 1 273.292 1.906 20 0 CDADMM Cc1cccc(CCN2CC[C@]3(CC(C(=O)[O-])=NO3)C2)n1 ZINC001600530502 1174496916 /nfs/dbraw/zinc/49/69/16/1174496916.db2.gz OUGMDWUMNBKLPD-HNNXBMFYSA-N -1 1 289.335 1.238 20 0 CDADMM Cc1cccc2[nH]c(CN[C@](C)(CO)C(=O)[O-])cc21 ZINC001600554559 1174503325 /nfs/dbraw/zinc/50/33/25/1174503325.db2.gz DSLMKKXMIBXMOA-CQSZACIVSA-N -1 1 262.309 1.402 20 0 CDADMM Cc1ccncc1CCC[N@@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001600605875 1174524658 /nfs/dbraw/zinc/52/46/58/1174524658.db2.gz YZLWBITWXHMXJS-OCCSQVGLSA-N -1 1 278.352 1.497 20 0 CDADMM Cc1ccncc1CCCN1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001600605875 1174524663 /nfs/dbraw/zinc/52/46/63/1174524663.db2.gz YZLWBITWXHMXJS-OCCSQVGLSA-N -1 1 278.352 1.497 20 0 CDADMM Cc1coc(CC(=O)[O-])c1C(=O)NC[C@@H]1CCCCN1C ZINC001600643174 1174549584 /nfs/dbraw/zinc/54/95/84/1174549584.db2.gz JTISTKVLNUETNB-NSHDSACASA-N -1 1 294.351 1.429 20 0 CDADMM Cn1cc(C[N@H+](CC(=O)[O-])CC2CC2)cc1C(=O)[O-] ZINC001600950015 1174674266 /nfs/dbraw/zinc/67/42/66/1174674266.db2.gz GYQGNBZSNHDVGL-UHFFFAOYSA-N -1 1 266.297 1.020 20 0 CDADMM c1ccc2c(c1)CCN(c1ccnc(-c3nnn[n-]3)c1)C2 ZINC000103671201 1174683186 /nfs/dbraw/zinc/68/31/86/1174683186.db2.gz ODZWXZYPJPAAPG-UHFFFAOYSA-N -1 1 278.319 1.824 20 0 CDADMM c1ccc2c(c1)CCN(c1ccnc(-c3nn[n-]n3)c1)C2 ZINC000103671201 1174683196 /nfs/dbraw/zinc/68/31/96/1174683196.db2.gz ODZWXZYPJPAAPG-UHFFFAOYSA-N -1 1 278.319 1.824 20 0 CDADMM Cn1ccc([C@H](NC/C=C/c2ccc(F)cc2)C(=O)[O-])n1 ZINC001600974413 1174686500 /nfs/dbraw/zinc/68/65/00/1174686500.db2.gz DWTXCQAPPXAQQB-HSWBROFVSA-N -1 1 289.310 1.988 20 0 CDADMM N[C@@H](Cc1cc2ccccc2o1)C(=O)NC1(C(=O)[O-])CC1 ZINC001601175406 1174772126 /nfs/dbraw/zinc/77/21/26/1174772126.db2.gz CYUIRUYBMVXVFD-NSHDSACASA-N -1 1 288.303 1.036 20 0 CDADMM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCc2n[nH]nc2C1 ZINC001601694453 1174949145 /nfs/dbraw/zinc/94/91/45/1174949145.db2.gz YNROBVLECXLNHP-LBPRGKRZSA-N -1 1 292.726 1.642 20 0 CDADMM O=C([O-])C1(C(=O)NCCN2CC=CC2)CC2(CCC2)C1 ZINC001601700713 1174954595 /nfs/dbraw/zinc/95/45/95/1174954595.db2.gz FSRYHDUOUSHYIA-UHFFFAOYSA-N -1 1 278.352 1.010 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)C[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC001601766437 1174996011 /nfs/dbraw/zinc/99/60/11/1174996011.db2.gz BWUKFJTWTSVWJU-ZIAGYGMSSA-N -1 1 289.331 1.230 20 0 CDADMM O=C([O-])C1CC2(C1)C[N@@H+](CCCCCCO)C[C@H]2C(=O)[O-] ZINC001601779233 1175004311 /nfs/dbraw/zinc/00/43/11/1175004311.db2.gz GEDSRFUXQVWWRW-AVERBVTBSA-N -1 1 299.367 1.037 20 0 CDADMM O=C([O-])C[C@H]1CCCN1Cc1cnc(Cl)cn1 ZINC001601953840 1175084686 /nfs/dbraw/zinc/08/46/86/1175084686.db2.gz LHKDHEYJMOOPEV-SECBINFHSA-N -1 1 255.705 1.569 20 0 CDADMM O=C([O-])CC[N@@H+](CC(=O)[O-])Cc1cccc2ccoc21 ZINC001602004813 1175108247 /nfs/dbraw/zinc/10/82/47/1175108247.db2.gz MVMMJCIVUKUDOJ-UHFFFAOYSA-N -1 1 277.276 1.794 20 0 CDADMM O=C([O-])CN1CCN(CCSC2CCCCC2)CC1 ZINC001602062264 1175124336 /nfs/dbraw/zinc/12/43/36/1175124336.db2.gz MYJJKXFDXFLFBF-UHFFFAOYSA-N -1 1 286.441 1.755 20 0 CDADMM O=C([O-])COc1ccccc1CNC/C=C\Cl ZINC001602095551 1175129266 /nfs/dbraw/zinc/12/92/66/1175129266.db2.gz ZQVZOGWNFIYADF-UTCJRWHESA-N -1 1 255.701 1.992 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3cc(F)cc(F)c3O)C[C@@H]21 ZINC001602204929 1175164133 /nfs/dbraw/zinc/16/41/33/1175164133.db2.gz UYGSPMIPZAGKGL-MBTKJCJQSA-N -1 1 283.230 1.073 20 0 CDADMM O=C([O-])c1cncc(CN2CCC(n3cccn3)CC2)c1 ZINC001602538130 1175280339 /nfs/dbraw/zinc/28/03/39/1175280339.db2.gz NLEMHMMDUHJQOT-UHFFFAOYSA-N -1 1 286.335 1.813 20 0 CDADMM O=C([O-])c1coc(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001602551971 1175291736 /nfs/dbraw/zinc/29/17/36/1175291736.db2.gz XFJPXWLRLGFIBP-MRVPVSSYSA-N -1 1 253.254 1.274 20 0 CDADMM C[C@@H](C(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1ccsc1 ZINC001603029732 1175478723 /nfs/dbraw/zinc/47/87/23/1175478723.db2.gz GDOFYSYDTNLRQS-ZCFIWIBFSA-N -1 1 289.324 1.394 20 0 CDADMM CC(C)CC(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001603256795 1175527507 /nfs/dbraw/zinc/52/75/07/1175527507.db2.gz PXPSKCDCCZVHJF-UHFFFAOYSA-N -1 1 267.314 1.413 20 0 CDADMM CC(C)CC(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001603256795 1175527515 /nfs/dbraw/zinc/52/75/15/1175527515.db2.gz PXPSKCDCCZVHJF-UHFFFAOYSA-N -1 1 267.314 1.413 20 0 CDADMM CC(C)(C)N1CC[C@@](F)(C(=O)Nc2cc(C(=O)[O-])no2)C1 ZINC001603344846 1175543979 /nfs/dbraw/zinc/54/39/79/1175543979.db2.gz UYQWYKSCGBBNOC-ZDUSSCGKSA-N -1 1 299.302 1.524 20 0 CDADMM CC(C)(C)c1[nH]cnc1COC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001603555184 1175564568 /nfs/dbraw/zinc/56/45/68/1175564568.db2.gz OHMDHJXCWMXUPD-VHSXEESVSA-N -1 1 296.323 1.383 20 0 CDADMM C[C@@H](Cc1ccncc1)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603584403 1175571138 /nfs/dbraw/zinc/57/11/38/1175571138.db2.gz AVYJUPPPTLXCMV-VIFPVBQESA-N -1 1 298.306 1.216 20 0 CDADMM C[C@@H](Cc1ccncc1)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603584403 1175571146 /nfs/dbraw/zinc/57/11/46/1175571146.db2.gz AVYJUPPPTLXCMV-VIFPVBQESA-N -1 1 298.306 1.216 20 0 CDADMM CC(F)(F)CNCc1csc(-c2nn[n-]n2)c1 ZINC001603595827 1175573658 /nfs/dbraw/zinc/57/36/58/1175573658.db2.gz XIIJQMJUEOUGCX-UHFFFAOYSA-N -1 1 259.285 1.673 20 0 CDADMM C[C@H](c1ccccn1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001603738513 1175613618 /nfs/dbraw/zinc/61/36/18/1175613618.db2.gz HJHQNSCVQVGDMU-SECBINFHSA-N -1 1 282.311 1.249 20 0 CDADMM C[C@H](c1ccccn1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001603738513 1175613621 /nfs/dbraw/zinc/61/36/21/1175613621.db2.gz HJHQNSCVQVGDMU-SECBINFHSA-N -1 1 282.311 1.249 20 0 CDADMM CC1(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)CC1 ZINC001603748997 1175615454 /nfs/dbraw/zinc/61/54/54/1175615454.db2.gz MJZJTTXLLWKWQT-UHFFFAOYSA-N -1 1 293.277 1.561 20 0 CDADMM CC1(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)CC1 ZINC001603748997 1175615459 /nfs/dbraw/zinc/61/54/59/1175615459.db2.gz MJZJTTXLLWKWQT-UHFFFAOYSA-N -1 1 293.277 1.561 20 0 CDADMM CC1(C)CCCN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001603777802 1175628713 /nfs/dbraw/zinc/62/87/13/1175628713.db2.gz QLWJVSYOGLJMKV-UHFFFAOYSA-N -1 1 275.312 1.722 20 0 CDADMM CC1(C)CCCN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001603777802 1175628717 /nfs/dbraw/zinc/62/87/17/1175628717.db2.gz QLWJVSYOGLJMKV-UHFFFAOYSA-N -1 1 275.312 1.722 20 0 CDADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)C1(C)C ZINC001603788487 1175630923 /nfs/dbraw/zinc/63/09/23/1175630923.db2.gz YJAKQXILHRDNPD-UHFFFAOYSA-N -1 1 259.317 1.282 20 0 CDADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)C1(C)C ZINC001603788487 1175630925 /nfs/dbraw/zinc/63/09/25/1175630925.db2.gz YJAKQXILHRDNPD-UHFFFAOYSA-N -1 1 259.317 1.282 20 0 CDADMM CC1(C2CC2)CCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001603795834 1175634760 /nfs/dbraw/zinc/63/47/60/1175634760.db2.gz NVVFDAQYPRPDSH-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM CC1(C2CC2)CCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001603795834 1175634766 /nfs/dbraw/zinc/63/47/66/1175634766.db2.gz NVVFDAQYPRPDSH-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@]1(CCNc2ccc(-c3nnn[n-]3)nn2)CC1(F)F ZINC001603799603 1175636335 /nfs/dbraw/zinc/63/63/35/1175636335.db2.gz BSJHDPYLYKKBEP-JTQLQIEISA-N -1 1 281.270 1.504 20 0 CDADMM C[C@]1(CCNc2ccc(-c3nn[n-]n3)nn2)CC1(F)F ZINC001603799603 1175636340 /nfs/dbraw/zinc/63/63/40/1175636340.db2.gz BSJHDPYLYKKBEP-JTQLQIEISA-N -1 1 281.270 1.504 20 0 CDADMM CC(C)CO[C@H]1CCN(Cc2ccc(C(=O)[O-])n2C)C1 ZINC001603822825 1175644678 /nfs/dbraw/zinc/64/46/78/1175644678.db2.gz NOHZXQDWQVNWKY-ZDUSSCGKSA-N -1 1 280.368 1.970 20 0 CDADMM C[C@H]1C[C@@H](CCNc2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001603850910 1175655177 /nfs/dbraw/zinc/65/51/77/1175655177.db2.gz MZOKIFCZJSYZSF-QWRGUYRKSA-N -1 1 288.355 1.879 20 0 CDADMM C[C@H]1C[C@@H](CCNc2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC001603850910 1175655181 /nfs/dbraw/zinc/65/51/81/1175655181.db2.gz MZOKIFCZJSYZSF-QWRGUYRKSA-N -1 1 288.355 1.879 20 0 CDADMM C[C@H]1CCCC[C@H]1Cn1cc(-c2nn[n-]n2)ccc1=O ZINC001603893389 1175675453 /nfs/dbraw/zinc/67/54/53/1175675453.db2.gz YGTCEZLBDIYEBL-QWRGUYRKSA-N -1 1 273.340 1.855 20 0 CDADMM C[C@H]1CCN1C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001603909937 1175682302 /nfs/dbraw/zinc/68/23/02/1175682302.db2.gz QKJGEOKHTNKBRR-LURJTMIESA-N -1 1 279.250 1.379 20 0 CDADMM C[C@H]1CCN1C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001603909937 1175682305 /nfs/dbraw/zinc/68/23/05/1175682305.db2.gz QKJGEOKHTNKBRR-LURJTMIESA-N -1 1 279.250 1.379 20 0 CDADMM C[C@@H]1[C@@H](C)CN1C(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001603924336 1175686571 /nfs/dbraw/zinc/68/65/71/1175686571.db2.gz KUNZXSKKUAUDAV-DTWKUNHWSA-N -1 1 296.334 1.828 20 0 CDADMM C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCC1=O ZINC001603936776 1175690221 /nfs/dbraw/zinc/69/02/21/1175690221.db2.gz WADMDZKMDIZTNX-QMMMGPOBSA-N -1 1 277.353 1.339 20 0 CDADMM C[C@@H]1[C@H](C)CN(c2ncncc2-c2nn[n-]n2)[C@H]1C ZINC001603944021 1175693058 /nfs/dbraw/zinc/69/30/58/1175693058.db2.gz AXJACZGSKGZZKW-HLTSFMKQSA-N -1 1 259.317 1.137 20 0 CDADMM C[C@@H]1c2sccc2CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001603958297 1175699247 /nfs/dbraw/zinc/69/92/47/1175699247.db2.gz GHHLWWBDTLJEIH-MRVPVSSYSA-N -1 1 299.363 1.842 20 0 CDADMM C[C@@H]1c2sccc2CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001603958297 1175699250 /nfs/dbraw/zinc/69/92/50/1175699250.db2.gz 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Cc1nc(-c2nnn[n-]2)cc(N2C[C@H](C)C[C@H]2C)n1 ZINC001606020465 1163748218 /nfs/dbraw/zinc/74/82/18/1163748218.db2.gz ZTEXHDRRTLTJDP-HTQZYQBOSA-N -1 1 259.317 1.200 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2C[C@H](C)C[C@H]2C)n1 ZINC001606020465 1163748224 /nfs/dbraw/zinc/74/82/24/1163748224.db2.gz ZTEXHDRRTLTJDP-HTQZYQBOSA-N -1 1 259.317 1.200 20 0 CDADMM FC(F)(F)[C@@H]1C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001592618335 1173931050 /nfs/dbraw/zinc/93/10/50/1173931050.db2.gz QPKDNEYMTKJOFA-RFZPGFLSSA-N -1 1 271.206 1.019 20 0 CDADMM FC(F)(F)[C@@H]1C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001592618335 1173931053 /nfs/dbraw/zinc/93/10/53/1173931053.db2.gz QPKDNEYMTKJOFA-RFZPGFLSSA-N -1 1 271.206 1.019 20 0 CDADMM FC(F)[C@H]1CCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001592623339 1173932952 /nfs/dbraw/zinc/93/29/52/1173932952.db2.gz DZSFTIZHHFRBKL-GSVOUGTGSA-N -1 1 292.702 1.820 20 0 CDADMM FC(F)[C@H]1CCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001592623339 1173932957 /nfs/dbraw/zinc/93/29/57/1173932957.db2.gz DZSFTIZHHFRBKL-GSVOUGTGSA-N -1 1 292.702 1.820 20 0 CDADMM Fc1ccc(CNc2nnco2)c(Cl)c1-c1nnn[n-]1 ZINC001592651458 1173952118 /nfs/dbraw/zinc/95/21/18/1173952118.db2.gz NDZYIBGGGVIBHR-UHFFFAOYSA-N -1 1 295.665 1.654 20 0 CDADMM Fc1ccc(CNc2nnco2)c(Cl)c1-c1nn[n-]n1 ZINC001592651458 1173952123 /nfs/dbraw/zinc/95/21/23/1173952123.db2.gz NDZYIBGGGVIBHR-UHFFFAOYSA-N -1 1 295.665 1.654 20 0 CDADMM O=C(N[C@H]1CC12CCCC2)c1coc(-c2nn[n-]n2)c1 ZINC001592966827 1174009509 /nfs/dbraw/zinc/00/95/09/1174009509.db2.gz JFJVDOKLBAYWET-JTQLQIEISA-N -1 1 273.296 1.522 20 0 CDADMM O=C(N[C@H]1CCCC[C@H]1F)c1ccc(-c2nnn[n-]2)s1 ZINC001593181939 1174029343 /nfs/dbraw/zinc/02/93/43/1174029343.db2.gz AANYBQKEUDKTLM-SFYZADRCSA-N -1 1 295.343 1.939 20 0 CDADMM O=C(N[C@H]1CCCC[C@H]1F)c1ccc(-c2nn[n-]n2)s1 ZINC001593181939 1174029348 /nfs/dbraw/zinc/02/93/48/1174029348.db2.gz AANYBQKEUDKTLM-SFYZADRCSA-N -1 1 295.343 1.939 20 0 CDADMM O=C(N[C@]12C[C@H]1CCC2)c1coc(-c2nnn[n-]2)c1 ZINC001593181970 1174032139 /nfs/dbraw/zinc/03/21/39/1174032139.db2.gz CRIOPGBMNISYTK-PRHODGIISA-N -1 1 259.269 1.132 20 0 CDADMM O=C(N[C@]12C[C@H]1CCC2)c1coc(-c2nn[n-]n2)c1 ZINC001593181970 1174032143 /nfs/dbraw/zinc/03/21/43/1174032143.db2.gz CRIOPGBMNISYTK-PRHODGIISA-N -1 1 259.269 1.132 20 0 CDADMM Cc1c(C(=O)N(C)[C@@H](C)C(=O)[O-])n[nH]c1C(F)(F)F ZINC001600007949 1174337516 /nfs/dbraw/zinc/33/75/16/1174337516.db2.gz PJGAERXYWKSKKU-YFKPBYRVSA-N -1 1 279.218 1.282 20 0 CDADMM CC(C)(CC(=O)[O-])CN1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC001573476966 1170669542 /nfs/dbraw/zinc/66/95/42/1170669542.db2.gz RBSHOOPONAFGGR-GHMZBOCLSA-N -1 1 271.357 1.366 20 0 CDADMM CC(C)c1nc(CN[C@H](Cc2cncs2)C(=O)[O-])n[nH]1 ZINC001604013643 1126227773 /nfs/dbraw/zinc/22/77/73/1126227773.db2.gz JGHPCWTUZMCQQV-SECBINFHSA-N -1 1 295.368 1.170 20 0 CDADMM C[C@@H]1CN(Cc2cnc(C(=O)[O-])s2)[C@H](C)CCO1 ZINC001574105630 1170881090 /nfs/dbraw/zinc/88/10/90/1170881090.db2.gz TXBQPRQHWMBOLN-RKDXNWHRSA-N -1 1 270.354 1.841 20 0 CDADMM O=C([O-])c1csc(CCN[C@H]2CCn3ccnc32)n1 ZINC001574422564 1170976415 /nfs/dbraw/zinc/97/64/15/1170976415.db2.gz GTDHFDFWFMWGFH-QMMMGPOBSA-N -1 1 278.337 1.315 20 0 CDADMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(N)c2)cn1 ZINC000019233388 1171806714 /nfs/dbraw/zinc/80/67/14/1171806714.db2.gz QOSVDHPEBWYHCU-UHFFFAOYSA-N -1 1 293.348 1.782 20 0 CDADMM CCOC(=O)c1nc(NC(=O)c2ocnc2C2CC2)c[n-]1 ZINC000589211035 342500331 /nfs/dbraw/zinc/50/03/31/342500331.db2.gz GCVUTXKHKDKWAX-UHFFFAOYSA-N -1 1 290.279 1.704 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)CSCc1cccnc1 ZINC000590397855 342543703 /nfs/dbraw/zinc/54/37/03/342543703.db2.gz HTYHIBRAPZMPIF-UHFFFAOYSA-N -1 1 278.337 1.691 20 0 CDADMM CCOC(=O)c1nc(NC(=O)c2oc(CC)nc2C)c[n-]1 ZINC000590341261 342537142 /nfs/dbraw/zinc/53/71/42/342537142.db2.gz MKRRVZQRBZCZCJ-UHFFFAOYSA-N -1 1 292.295 1.698 20 0 CDADMM CCCC(C)(C)C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000651721223 398165153 /nfs/dbraw/zinc/16/51/53/398165153.db2.gz YMUJEHNIDDWBJD-SECBINFHSA-N -1 1 253.350 1.588 20 0 CDADMM CCC[C@@H](NC(=O)[C@@H](N)c1cccc(Cl)c1)C(=O)[O-] ZINC000650781907 398200906 /nfs/dbraw/zinc/20/09/06/398200906.db2.gz XTDYHFJRJLJSAY-MNOVXSKESA-N -1 1 284.743 1.709 20 0 CDADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCC2)c1 ZINC000601450897 342563627 /nfs/dbraw/zinc/56/36/27/342563627.db2.gz KRRGXWNXUWRHNC-WDEREUQCSA-N -1 1 299.348 1.533 20 0 CDADMM CC(=O)NC[C@H]1CN(Cc2cccc([O-])c2Cl)CCO1 ZINC000351605991 361796956 /nfs/dbraw/zinc/79/69/56/361796956.db2.gz ACFKPWKHHSEXAP-LBPRGKRZSA-N -1 1 298.770 1.383 20 0 CDADMM CN(Cc1ccc(C(=O)[O-])cc1F)[C@H]1CCOC1 ZINC000161669552 342073094 /nfs/dbraw/zinc/07/30/94/342073094.db2.gz ZPJSBMMOQSTONG-NSHDSACASA-N -1 1 253.273 1.745 20 0 CDADMM C[C@@H](Oc1ccc(F)cc1)C(=O)NC(C)(C)c1nn[n-]n1 ZINC000354748888 365664017 /nfs/dbraw/zinc/66/40/17/365664017.db2.gz DBHOHZIRBDDQJH-MRVPVSSYSA-N -1 1 293.302 1.158 20 0 CDADMM CCC[C@H](NC(=O)c1ccc(SC)o1)c1nn[n-]n1 ZINC000136630949 361849833 /nfs/dbraw/zinc/84/98/33/361849833.db2.gz SQZMUEOLKDMZAF-ZETCQYMHSA-N -1 1 281.341 1.786 20 0 CDADMM C[N@H+]1CCCC[C@H](CNS(=O)(=O)c2ccco2)C1 ZINC000625423722 342157966 /nfs/dbraw/zinc/15/79/66/342157966.db2.gz XUWHSRIWNWOOPZ-LLVKDONJSA-N -1 1 272.370 1.290 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)C2(OC)CCCCC2)n1 ZINC000331250228 361936365 /nfs/dbraw/zinc/93/63/65/361936365.db2.gz ZGTOGWJGCMCKOK-UHFFFAOYSA-N -1 1 295.339 1.874 20 0 CDADMM COc1cc(F)c(S(=O)(=O)[N-]CC2CC2)c(F)c1 ZINC000588675265 342218837 /nfs/dbraw/zinc/21/88/37/342218837.db2.gz KMUUMVUPYKBPCU-UHFFFAOYSA-N -1 1 277.292 1.662 20 0 CDADMM COCC[C@@H](C)C[N-]S(=O)(=O)c1sccc1F ZINC000416593380 536768735 /nfs/dbraw/zinc/76/87/35/536768735.db2.gz WIIGRYCFYMHPBX-MRVPVSSYSA-N -1 1 281.374 1.838 20 0 CDADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CC=CCC2)cc1C ZINC000595312983 343033180 /nfs/dbraw/zinc/03/31/80/343033180.db2.gz QOYLHTGCIMBDRJ-SNVBAGLBSA-N -1 1 299.348 1.762 20 0 CDADMM Cc1nc(C[N-]S(=O)(=O)c2cc(F)ccc2C)no1 ZINC000173401529 365698141 /nfs/dbraw/zinc/69/81/41/365698141.db2.gz WJRJSHHJWVGIGY-UHFFFAOYSA-N -1 1 285.300 1.304 20 0 CDADMM Cc1ccc(S(=O)(=O)[N-]c2cnc[nH]2)cc1C ZINC000564772631 362041580 /nfs/dbraw/zinc/04/15/80/362041580.db2.gz YTIGUBFRROYQHB-UHFFFAOYSA-N -1 1 251.311 1.827 20 0 CDADMM COc1ccc(CCC(=O)Nc2nnn[n-]2)cc1Cl ZINC000076963633 342325974 /nfs/dbraw/zinc/32/59/74/342325974.db2.gz MQXGUOXGQZFEPN-UHFFFAOYSA-N -1 1 281.703 1.433 20 0 CDADMM COc1ccc(CCC(=O)Nc2nn[n-]n2)cc1Cl ZINC000076963633 342325975 /nfs/dbraw/zinc/32/59/75/342325975.db2.gz MQXGUOXGQZFEPN-UHFFFAOYSA-N -1 1 281.703 1.433 20 0 CDADMM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)CCCc1nn[n-]n1 ZINC000635570641 362064598 /nfs/dbraw/zinc/06/45/98/362064598.db2.gz ICUZQOCXLNKUHP-OCCSQVGLSA-N -1 1 299.378 1.927 20 0 CDADMM CCC[C@@H](C)CCCN1CCN(C(=O)C(=O)[O-])CC1 ZINC000629489713 362098593 /nfs/dbraw/zinc/09/85/93/362098593.db2.gz DOGCSQKJUIUVNI-GFCCVEGCSA-N -1 1 270.373 1.432 20 0 CDADMM CN(CCc1ccccn1)C(=O)c1cncc([O-])c1 ZINC000111738638 365718902 /nfs/dbraw/zinc/71/89/02/365718902.db2.gz ZSWOZKCFVMJKMN-UHFFFAOYSA-N -1 1 257.293 1.497 20 0 CDADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCSC1 ZINC000081954128 342374713 /nfs/dbraw/zinc/37/47/13/342374713.db2.gz ZWHVURFSBQXNQC-SECBINFHSA-N -1 1 295.408 1.611 20 0 CDADMM O=C(CCOc1ccc(F)cc1Cl)NCc1nn[n-]n1 ZINC000599376616 344030200 /nfs/dbraw/zinc/03/02/00/344030200.db2.gz CCJRLCKVNXUPDE-UHFFFAOYSA-N -1 1 299.693 1.078 20 0 CDADMM CC[C@H](C)c1ccc(NC(=O)Cc2nn[n-]n2)cc1 ZINC000095162574 342430473 /nfs/dbraw/zinc/43/04/73/342430473.db2.gz NJRZWVJMCRWUPE-VIFPVBQESA-N -1 1 259.313 1.894 20 0 CDADMM C[C@H](CN(C)C(=O)c1ccc(F)cc1)c1nn[n-]n1 ZINC000095243343 342431519 /nfs/dbraw/zinc/43/15/19/342431519.db2.gz HEAJKSXMHRXKHB-MRVPVSSYSA-N -1 1 263.276 1.215 20 0 CDADMM CCO[C@H](CCNC(=O)CCCc1nn[n-]n1)C(C)C ZINC000635634551 362224996 /nfs/dbraw/zinc/22/49/96/362224996.db2.gz AXOZZURVEDFGCM-LLVKDONJSA-N -1 1 283.376 1.090 20 0 CDADMM CSC[C@H](C)C(=O)N=c1[nH][n-]c(C)c1Br ZINC000597730781 343618546 /nfs/dbraw/zinc/61/85/46/343618546.db2.gz AZYAYDNGHPPFSG-YFKPBYRVSA-N -1 1 292.202 1.840 20 0 CDADMM CCCc1nc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)co1 ZINC000274753432 365792945 /nfs/dbraw/zinc/79/29/45/365792945.db2.gz ICMKQZZYOVAQDK-MRVPVSSYSA-N -1 1 278.316 1.016 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)c2c(Cl)cnn2C)n1 ZINC000598730063 343888084 /nfs/dbraw/zinc/88/80/84/343888084.db2.gz YHSNSARGWUOKRB-UHFFFAOYSA-N -1 1 297.702 1.226 20 0 CDADMM CC(C)(C)OC(=O)C1(C(=O)N=c2ccc(O)n[n-]2)CCC1 ZINC000598830321 343913108 /nfs/dbraw/zinc/91/31/08/343913108.db2.gz CDYCTLXJCFACLY-UHFFFAOYSA-N -1 1 293.323 1.055 20 0 CDADMM C[C@@H](O)C[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000228199710 140193258 /nfs/dbraw/zinc/19/32/58/140193258.db2.gz QHELWHXYMZYBLB-HTQZYQBOSA-N -1 1 279.308 1.403 20 0 CDADMM CC(C)(C)[C@H]1C[C@H](NC(=O)CCCc2nn[n-]n2)CCO1 ZINC000635751362 362494103 /nfs/dbraw/zinc/49/41/03/362494103.db2.gz YLXCRKFJPNKRBE-GHMZBOCLSA-N -1 1 295.387 1.232 20 0 CDADMM CNC(=O)NC1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000396850963 344767954 /nfs/dbraw/zinc/76/79/54/344767954.db2.gz NPMJYRJDJYTGSW-UHFFFAOYSA-N -1 1 295.314 1.065 20 0 CDADMM CCCN1C(=O)N=NC1SCc1cc(C)nn1C ZINC000571417866 362507971 /nfs/dbraw/zinc/50/79/71/362507971.db2.gz GKZPVZOACPWDLV-UHFFFAOYSA-N -1 1 267.358 1.728 20 0 CDADMM Cc1nnc(CN(C)C(=O)c2ccc([O-])cc2F)o1 ZINC000618066004 345391677 /nfs/dbraw/zinc/39/16/77/345391677.db2.gz IROREADACSLFPN-UHFFFAOYSA-N -1 1 265.244 1.495 20 0 CDADMM Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)N(C)C ZINC000607881366 345456856 /nfs/dbraw/zinc/45/68/56/345456856.db2.gz LAXALPXFDWLGIF-UHFFFAOYSA-N -1 1 280.353 1.399 20 0 CDADMM CSc1nc(CNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)cc(=O)[n-]1 ZINC000640655756 362656142 /nfs/dbraw/zinc/65/61/42/362656142.db2.gz RMPFYZJKGLENQR-VAOFZXAKSA-N -1 1 297.380 1.334 20 0 CDADMM CCOC(=O)c1nc(C)[nH]c1NC(=O)[C@@H](C)CSC ZINC000610231270 346221571 /nfs/dbraw/zinc/22/15/71/346221571.db2.gz IRTRVJLDCANOAJ-ZETCQYMHSA-N -1 1 285.369 1.832 20 0 CDADMM O=C(CCCc1nn[n-]n1)NCc1ccc2ncccc2c1 ZINC000635878557 362678000 /nfs/dbraw/zinc/67/80/00/362678000.db2.gz WRJKQAXOUCQGOF-UHFFFAOYSA-N -1 1 296.334 1.387 20 0 CDADMM CC[C@@H](SC)C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000610966664 346558002 /nfs/dbraw/zinc/55/80/02/346558002.db2.gz YSEUADYHPBBEDH-GHMZBOCLSA-N -1 1 291.380 1.547 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2cccc([S@@](C)=O)c2)c1[O-] ZINC000610967315 346558077 /nfs/dbraw/zinc/55/80/77/346558077.db2.gz VMMCVCOZHHYGKY-LJQANCHMSA-N -1 1 279.321 1.413 20 0 CDADMM CO[C@H]1CCCN(Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000230268007 346549390 /nfs/dbraw/zinc/54/93/90/346549390.db2.gz MKYLNKOGEUBNLI-JTQLQIEISA-N -1 1 253.298 1.897 20 0 CDADMM Cc1cccc(F)c1S(=O)(=O)[N-]CC(F)F ZINC000274883663 365840635 /nfs/dbraw/zinc/84/06/35/365840635.db2.gz PIFZZAKEYDJZPF-UHFFFAOYSA-N -1 1 253.245 1.678 20 0 CDADMM C[C@H](CCOc1ccccc1)C(=O)Nc1nnn[n-]1 ZINC000174321483 365846625 /nfs/dbraw/zinc/84/66/25/365846625.db2.gz AIDDOIWZLLTMCJ-SECBINFHSA-N -1 1 261.285 1.243 20 0 CDADMM C[C@H](CCOc1ccccc1)C(=O)Nc1nn[n-]n1 ZINC000174321483 365846631 /nfs/dbraw/zinc/84/66/31/365846631.db2.gz AIDDOIWZLLTMCJ-SECBINFHSA-N -1 1 261.285 1.243 20 0 CDADMM CN(CC1CC1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001579065305 1172087954 /nfs/dbraw/zinc/08/79/54/1172087954.db2.gz RPYUYUJEAIBQNU-UHFFFAOYSA-N -1 1 292.368 1.480 20 0 CDADMM CC(C)(CNC(=O)CCCc1nn[n-]n1)c1ccccn1 ZINC000635975929 362809686 /nfs/dbraw/zinc/80/96/86/362809686.db2.gz DSXPXSQSSYUIAU-UHFFFAOYSA-N -1 1 288.355 1.011 20 0 CDADMM COC[C@](C)(CO)NC(=O)c1ncc2ccccc2c1[O-] ZINC000613549177 347776629 /nfs/dbraw/zinc/77/66/29/347776629.db2.gz GOKDPNDFSYZJPS-HNNXBMFYSA-N -1 1 290.319 1.068 20 0 CDADMM C[C@@H](O)C[C@H](C)NC(=O)c1ncc2ccccc2c1[O-] ZINC000613418614 347721078 /nfs/dbraw/zinc/72/10/78/347721078.db2.gz JTOARPXKVREDNV-VHSXEESVSA-N -1 1 274.320 1.830 20 0 CDADMM O=C(NCC1(CO)CCC1)c1ncc2ccccc2c1[O-] ZINC000613465871 347745326 /nfs/dbraw/zinc/74/53/26/347745326.db2.gz RRSPKJWMHHLPFT-UHFFFAOYSA-N -1 1 286.331 1.833 20 0 CDADMM C[S@](=O)c1cccc(C(=O)Nc2ccncc2[O-])c1 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CC(C)Cn1ncnc1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405369797 605465666 /nfs/dbraw/zinc/46/56/66/605465666.db2.gz OHJXYWBGNXVPNX-LBPRGKRZSA-N -1 1 292.383 1.621 20 0 CDADMM C[C@@H](O)[C@@H]1CCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000833529049 605698319 /nfs/dbraw/zinc/69/83/19/605698319.db2.gz QVXDEUVSNYPRNF-ZYHUDNBSSA-N -1 1 292.335 1.026 20 0 CDADMM C[C@@H](c1nc2ccccc2c(=O)[nH]1)N(C)CC(=O)[O-] ZINC000820199874 605807275 /nfs/dbraw/zinc/80/72/75/605807275.db2.gz MXRARRXYTYNOOL-QMMMGPOBSA-N -1 1 261.281 1.413 20 0 CDADMM CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000826800984 605959208 /nfs/dbraw/zinc/95/92/08/605959208.db2.gz UIIKAPKONHLBOC-CABZTGNLSA-N -1 1 294.355 1.066 20 0 CDADMM COC[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821682808 606178877 /nfs/dbraw/zinc/17/88/77/606178877.db2.gz OBYPZCINRYXPCI-LURJTMIESA-N -1 1 268.298 1.120 20 0 CDADMM COC[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821682808 606178879 /nfs/dbraw/zinc/17/88/79/606178879.db2.gz OBYPZCINRYXPCI-LURJTMIESA-N 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1 291.361 1.920 20 0 CDADMM CC(C)[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820015932 606569268 /nfs/dbraw/zinc/56/92/68/606569268.db2.gz IGZRSHVDXUMEPR-QMMMGPOBSA-N -1 1 279.369 1.950 20 0 CDADMM CC(C)[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820015932 606569270 /nfs/dbraw/zinc/56/92/70/606569270.db2.gz IGZRSHVDXUMEPR-QMMMGPOBSA-N -1 1 279.369 1.950 20 0 CDADMM Cc1cc(F)ccc1CCNc1nccnc1-c1nnn[n-]1 ZINC000822205661 606725181 /nfs/dbraw/zinc/72/51/81/606725181.db2.gz CXIOMNNPLJWLBU-UHFFFAOYSA-N -1 1 299.313 1.759 20 0 CDADMM Cc1cc(F)ccc1CCNc1nccnc1-c1nn[n-]n1 ZINC000822205661 606725182 /nfs/dbraw/zinc/72/51/82/606725182.db2.gz CXIOMNNPLJWLBU-UHFFFAOYSA-N -1 1 299.313 1.759 20 0 CDADMM c1cc(NC[C@H]2CCCS2)nc(-c2nnn[n-]2)c1 ZINC000823757542 606800191 /nfs/dbraw/zinc/80/01/91/606800191.db2.gz RJXPYBCZLNYJAF-MRVPVSSYSA-N -1 1 262.342 1.569 20 0 CDADMM c1cc(NC[C@H]2CCCS2)nc(-c2nn[n-]n2)c1 ZINC000823757542 606800193 /nfs/dbraw/zinc/80/01/93/606800193.db2.gz RJXPYBCZLNYJAF-MRVPVSSYSA-N -1 1 262.342 1.569 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C=C(C1CC1)C1CC1 ZINC000822903633 606829097 /nfs/dbraw/zinc/82/90/97/606829097.db2.gz MDGJVUXWMPSVEQ-UHFFFAOYSA-N -1 1 285.311 1.032 20 0 CDADMM CC[C@H](O)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000820933261 606879531 /nfs/dbraw/zinc/87/95/31/606879531.db2.gz UFBLHQVMDMGUET-YFKPBYRVSA-N -1 1 288.764 1.550 20 0 CDADMM CC[C@H](O)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000820933261 606879532 /nfs/dbraw/zinc/87/95/32/606879532.db2.gz UFBLHQVMDMGUET-YFKPBYRVSA-N -1 1 288.764 1.550 20 0 CDADMM OCc1ccccc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000826510999 607897785 /nfs/dbraw/zinc/89/77/85/607897785.db2.gz WWUUWUPOUOIIOW-UHFFFAOYSA-N -1 1 282.307 1.366 20 0 CDADMM OCc1ccccc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000826510999 607897786 /nfs/dbraw/zinc/89/77/86/607897786.db2.gz WWUUWUPOUOIIOW-UHFFFAOYSA-N -1 1 282.307 1.366 20 0 CDADMM CC[C@H]1CO[C@@H](C)CN1c1cccc(-c2nnn[n-]2)n1 ZINC000095264321 607901330 /nfs/dbraw/zinc/90/13/30/607901330.db2.gz SKQIZJPDXCHFHA-UWVGGRQHSA-N -1 1 274.328 1.265 20 0 CDADMM CC[C@H]1CO[C@@H](C)CN1c1cccc(-c2nn[n-]n2)n1 ZINC000095264321 607901331 /nfs/dbraw/zinc/90/13/31/607901331.db2.gz SKQIZJPDXCHFHA-UWVGGRQHSA-N -1 1 274.328 1.265 20 0 CDADMM CC(C)COCCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000824271669 607988321 /nfs/dbraw/zinc/98/83/21/607988321.db2.gz QIVXSRFOUQGQCQ-UHFFFAOYSA-N -1 1 277.332 1.131 20 0 CDADMM CC(C)COCCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000824271669 607988322 /nfs/dbraw/zinc/98/83/22/607988322.db2.gz QIVXSRFOUQGQCQ-UHFFFAOYSA-N -1 1 277.332 1.131 20 0 CDADMM c1cn(CCCOCCc2ccccc2)c(-c2nnn[n-]2)n1 ZINC000826521203 608149712 /nfs/dbraw/zinc/14/97/12/608149712.db2.gz DLHZOWOZMXJMOW-UHFFFAOYSA-N -1 1 298.350 1.713 20 0 CDADMM c1cn(CCCOCCc2ccccc2)c(-c2nn[n-]n2)n1 ZINC000826521203 608149713 /nfs/dbraw/zinc/14/97/13/608149713.db2.gz DLHZOWOZMXJMOW-UHFFFAOYSA-N -1 1 298.350 1.713 20 0 CDADMM CC(C)[C@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000824217060 608242695 /nfs/dbraw/zinc/24/26/95/608242695.db2.gz XQWKHMURZDFVKU-ZYHUDNBSSA-N -1 1 288.355 1.877 20 0 CDADMM CC(C)[C@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000824217060 608242696 /nfs/dbraw/zinc/24/26/96/608242696.db2.gz XQWKHMURZDFVKU-ZYHUDNBSSA-N -1 1 288.355 1.877 20 0 CDADMM C(=Cc1ccncn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823861360 608317768 /nfs/dbraw/zinc/31/77/68/608317768.db2.gz FPFPXDLGGUDSII-OWOJBTEDSA-N -1 1 256.294 1.889 20 0 CDADMM c1ccc([C@H]2C[C@H]2Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826520689 608405857 /nfs/dbraw/zinc/40/58/57/608405857.db2.gz PKPLXENJTMTBAA-ZYHUDNBSSA-N -1 1 279.307 1.625 20 0 CDADMM c1ccc([C@H]2C[C@H]2Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826520689 608405858 /nfs/dbraw/zinc/40/58/58/608405858.db2.gz PKPLXENJTMTBAA-ZYHUDNBSSA-N -1 1 279.307 1.625 20 0 CDADMM Cc1ccccc1[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826306074 608418430 /nfs/dbraw/zinc/41/84/30/608418430.db2.gz PLZMFYJJTUVSNE-LBPRGKRZSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1ccccc1[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826306074 608418431 /nfs/dbraw/zinc/41/84/31/608418431.db2.gz PLZMFYJJTUVSNE-LBPRGKRZSA-N -1 1 297.322 1.111 20 0 CDADMM c1coc([C@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826526409 608420768 /nfs/dbraw/zinc/42/07/68/608420768.db2.gz XSCWIBPPDBCQNE-LLVKDONJSA-N -1 1 297.322 1.981 20 0 CDADMM c1coc([C@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826526409 608420770 /nfs/dbraw/zinc/42/07/70/608420770.db2.gz XSCWIBPPDBCQNE-LLVKDONJSA-N -1 1 297.322 1.981 20 0 CDADMM c1ccc(COCCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826521314 608428223 /nfs/dbraw/zinc/42/82/23/608428223.db2.gz HVBOXQZAQNDNBW-UHFFFAOYSA-N -1 1 297.322 1.285 20 0 CDADMM c1ccc(COCCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826521314 608428224 /nfs/dbraw/zinc/42/82/24/608428224.db2.gz HVBOXQZAQNDNBW-UHFFFAOYSA-N -1 1 297.322 1.285 20 0 CDADMM C[C@@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC[C@@H]1O ZINC000824832788 608428591 /nfs/dbraw/zinc/42/85/91/608428591.db2.gz WEQFSEKOPGUMHS-GWCFXTLKSA-N -1 1 289.343 1.010 20 0 CDADMM COC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC000826151576 608428777 /nfs/dbraw/zinc/42/87/77/608428777.db2.gz DUVMYSXVWZLYPR-SECBINFHSA-N -1 1 287.283 1.049 20 0 CDADMM COC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC000826151576 608428779 /nfs/dbraw/zinc/42/87/79/608428779.db2.gz DUVMYSXVWZLYPR-SECBINFHSA-N -1 1 287.283 1.049 20 0 CDADMM CC[C@@H](CSC)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825126401 608474914 /nfs/dbraw/zinc/47/49/14/608474914.db2.gz HYGLUUPBGILHMN-ZETCQYMHSA-N -1 1 297.409 1.800 20 0 CDADMM CC[C@@H](CSC)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825126401 608474915 /nfs/dbraw/zinc/47/49/15/608474915.db2.gz HYGLUUPBGILHMN-ZETCQYMHSA-N -1 1 297.409 1.800 20 0 CDADMM CC(=O)Oc1ccc(Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000824011235 608889889 /nfs/dbraw/zinc/88/98/89/608889889.db2.gz ZOQWHXYFGHDBNZ-UHFFFAOYSA-N -1 1 284.279 1.037 20 0 CDADMM CC(=O)Oc1ccc(Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000824011235 608889891 /nfs/dbraw/zinc/88/98/91/608889891.db2.gz ZOQWHXYFGHDBNZ-UHFFFAOYSA-N -1 1 284.279 1.037 20 0 CDADMM Cc1cc(C(=O)Cn2ccnc2-c2nnn[n-]2)ccc1F ZINC000826257268 608894361 /nfs/dbraw/zinc/89/43/61/608894361.db2.gz VLVWNDFOLUAWRK-UHFFFAOYSA-N -1 1 286.270 1.394 20 0 CDADMM Cc1cc(C(=O)Cn2ccnc2-c2nn[n-]n2)ccc1F ZINC000826257268 608894363 /nfs/dbraw/zinc/89/43/63/608894363.db2.gz VLVWNDFOLUAWRK-UHFFFAOYSA-N -1 1 286.270 1.394 20 0 CDADMM c1cn(Cc2ccc3c(c2)COC3)c(-c2nnn[n-]2)n1 ZINC000826524588 609314144 /nfs/dbraw/zinc/31/41/44/609314144.db2.gz ALQFXIRRVHGGQH-UHFFFAOYSA-N -1 1 268.280 1.142 20 0 CDADMM c1cn(Cc2ccc3c(c2)COC3)c(-c2nn[n-]n2)n1 ZINC000826524588 609314146 /nfs/dbraw/zinc/31/41/46/609314146.db2.gz ALQFXIRRVHGGQH-UHFFFAOYSA-N -1 1 268.280 1.142 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C[C@@H]1F ZINC000824947102 609400121 /nfs/dbraw/zinc/40/01/21/609400121.db2.gz MKEBNOAFIPVSQA-YUMQZZPRSA-N -1 1 295.343 1.748 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C[C@@H]1F ZINC000824947102 609400122 /nfs/dbraw/zinc/40/01/22/609400122.db2.gz MKEBNOAFIPVSQA-YUMQZZPRSA-N -1 1 295.343 1.748 20 0 CDADMM O=C(NCC[C@@H](O)C1CC1)c1cc(F)ccc1[O-] ZINC000890721584 617305741 /nfs/dbraw/zinc/30/57/41/617305741.db2.gz DKJLKUVMFBQSPB-LLVKDONJSA-N -1 1 253.273 1.422 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC[C@@H](O)C1CC1 ZINC000890723066 617306714 /nfs/dbraw/zinc/30/67/14/617306714.db2.gz GQNOPGCDCHHRPA-LLVKDONJSA-N -1 1 293.367 1.505 20 0 CDADMM CCOC(=O)[C@H](C)N(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000890732522 617311730 /nfs/dbraw/zinc/31/17/30/617311730.db2.gz NSCMLGXVPKJULE-QMMMGPOBSA-N -1 1 293.323 1.083 20 0 CDADMM O=C(N[C@@H]1COC[C@@H]1C1CC1)c1c([O-])cccc1F ZINC000891051151 617356898 /nfs/dbraw/zinc/35/68/98/617356898.db2.gz UPZJDALGYYTJON-MWLCHTKSSA-N -1 1 265.284 1.686 20 0 CDADMM COCc1nc(N2C[C@H](C)OC(C)(C)C2)cc(=O)[n-]1 ZINC000892025272 617420909 /nfs/dbraw/zinc/42/09/09/617420909.db2.gz OHSWZBBZNRMLPQ-VIFPVBQESA-N -1 1 267.329 1.332 20 0 CDADMM NC(=O)CC1([N-]C(=O)C(F)(F)F)CCCCC1 ZINC000891320555 617423489 /nfs/dbraw/zinc/42/34/89/617423489.db2.gz JBABGHLARQPMHA-UHFFFAOYSA-N -1 1 252.236 1.243 20 0 CDADMM CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC000934166155 617449346 /nfs/dbraw/zinc/44/93/46/617449346.db2.gz LXMTVJZAZPXNQM-MWGHHZFTSA-N -1 1 296.371 1.308 20 0 CDADMM CCn1cc(CN(C)c2cc(=O)[n-]c(COC)n2)cn1 ZINC000892527124 617477669 /nfs/dbraw/zinc/47/76/69/617477669.db2.gz JLGKOJOQVPLFIS-UHFFFAOYSA-N -1 1 277.328 1.181 20 0 CDADMM C/C=C\C[C@@H](CO)Nc1cc(=O)[n-]c(COC)n1 ZINC000893240460 617482823 /nfs/dbraw/zinc/48/28/23/617482823.db2.gz WZHHOYQUYOWSGP-TYRPZCRBSA-N -1 1 253.302 1.068 20 0 CDADMM CO[C@H](C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)C1CC1 ZINC000891617813 617506285 /nfs/dbraw/zinc/50/62/85/617506285.db2.gz KACWLBTZBYPELS-NSHDSACASA-N -1 1 277.324 1.425 20 0 CDADMM C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)O1 ZINC000891618567 617507167 /nfs/dbraw/zinc/50/71/67/617507167.db2.gz QKXNZSGZASCHTM-LNLATYFQSA-N -1 1 291.351 1.813 20 0 CDADMM CC[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(C)=O ZINC000948389608 615906036 /nfs/dbraw/zinc/90/60/36/615906036.db2.gz JFBGEOBHSIBMRX-RYUDHWBXSA-N -1 1 291.351 1.164 20 0 CDADMM CN(C(=O)C1(Cc2ccccc2F)CC1)c1nn[n-]n1 ZINC000892954879 617977504 /nfs/dbraw/zinc/97/75/04/617977504.db2.gz UJWKUQIZGMKUDM-UHFFFAOYSA-N -1 1 275.287 1.325 20 0 CDADMM C[C@@H]1SCC[C@H]1[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000867456051 617787075 /nfs/dbraw/zinc/78/70/75/617787075.db2.gz ZQXSHBWVNVBSRM-NKWVEPMBSA-N -1 1 294.348 1.532 20 0 CDADMM Cc1cc(S(=O)(=O)[N-]CCOC2CCC2)sn1 ZINC000866888297 617802621 /nfs/dbraw/zinc/80/26/21/617802621.db2.gz IXYHKLGJHYQYKO-UHFFFAOYSA-N -1 1 276.383 1.299 20 0 CDADMM COCc1nc(N(C)CCOCC2CC2)cc(=O)[n-]1 ZINC000892884112 617867801 /nfs/dbraw/zinc/86/78/01/617867801.db2.gz TVVPTTFECAOSOQ-UHFFFAOYSA-N -1 1 267.329 1.191 20 0 CDADMM COc1ccc(C(=O)N2C[C@H](C)Cn3nccc32)c([O-])c1 ZINC000893903733 618156154 /nfs/dbraw/zinc/15/61/54/618156154.db2.gz GMDUDWNWPWIIMD-JTQLQIEISA-N -1 1 287.319 1.894 20 0 CDADMM COCc1nc(NCc2nnc(C)n2C2CC2)cc(=O)[n-]1 ZINC000893102171 618170995 /nfs/dbraw/zinc/17/09/95/618170995.db2.gz 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Cc1ccc(-c2nn[n-]n2)nc1NCC1(CO)CCCC1 ZINC001605805394 1163677708 /nfs/dbraw/zinc/67/77/08/1163677708.db2.gz RGZFYKLOTMLMRF-UHFFFAOYSA-N -1 1 288.355 1.535 20 0 CDADMM CCc1nc(CSc2nc(C(=O)[O-])c[nH]2)n[nH]1 ZINC001605853312 1163690617 /nfs/dbraw/zinc/69/06/17/1163690617.db2.gz YVLIRFYJKATUEX-UHFFFAOYSA-N -1 1 253.287 1.081 20 0 CDADMM CCc1nnc(COC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)[nH]1 ZINC001605853294 1163690865 /nfs/dbraw/zinc/69/08/65/1163690865.db2.gz YPYRTDYKZBZVGI-BDAKNGLRSA-N -1 1 281.312 1.301 20 0 CDADMM Cc1ccc(N2CCOC(C)(C)C2)c(-c2nnn[n-]2)n1 ZINC001605867562 1163698218 /nfs/dbraw/zinc/69/82/18/1163698218.db2.gz PYGQSNORAAOJSP-UHFFFAOYSA-N -1 1 274.328 1.185 20 0 CDADMM Cc1ccc(N2CCOC(C)(C)C2)c(-c2nn[n-]n2)n1 ZINC001605867562 1163698224 /nfs/dbraw/zinc/69/82/24/1163698224.db2.gz PYGQSNORAAOJSP-UHFFFAOYSA-N -1 1 274.328 1.185 20 0 CDADMM Cc1noc(C)c1CNc1ccc(C)nc1-c1nnn[n-]1 ZINC001605874083 1163701985 /nfs/dbraw/zinc/70/19/85/1163701985.db2.gz HXMLVGJVGHFDCS-UHFFFAOYSA-N -1 1 285.311 1.787 20 0 CDADMM Cc1noc(C)c1CNc1ccc(C)nc1-c1nn[n-]n1 ZINC001605874083 1163701989 /nfs/dbraw/zinc/70/19/89/1163701989.db2.gz HXMLVGJVGHFDCS-UHFFFAOYSA-N -1 1 285.311 1.787 20 0 CDADMM Cc1ccc(NCC(C)(F)F)nc1-c1nnn[n-]1 ZINC001605874135 1163702636 /nfs/dbraw/zinc/70/26/36/1163702636.db2.gz JOSHRLTVLHRCAF-UHFFFAOYSA-N -1 1 254.244 1.637 20 0 CDADMM Cc1ccc(NCC(C)(F)F)nc1-c1nn[n-]n1 ZINC001605874135 1163702640 /nfs/dbraw/zinc/70/26/40/1163702640.db2.gz JOSHRLTVLHRCAF-UHFFFAOYSA-N -1 1 254.244 1.637 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@H]2CC2(Cl)Cl)c1C ZINC001606021282 1163748290 /nfs/dbraw/zinc/74/82/90/1163748290.db2.gz PRFGJXFDRCYOOX-SSDOTTSWSA-N -1 1 287.154 1.874 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@H]2CC2(Cl)Cl)c1C ZINC001606021282 1163748296 /nfs/dbraw/zinc/74/82/96/1163748296.db2.gz PRFGJXFDRCYOOX-SSDOTTSWSA-N -1 1 287.154 1.874 20 0 CDADMM Cc1ncc(Cn2ccn3ncc(-c4nn[n-]n4)c23)s1 ZINC001606089442 1163769931 /nfs/dbraw/zinc/76/99/31/1163769931.db2.gz PBNYJWUYVNGEQS-UHFFFAOYSA-N -1 1 286.324 1.129 20 0 CDADMM Cc1nn(CCc2ccccc2)c(=O)c(-c2nn[n-]n2)c1C ZINC001606114115 1163776538 /nfs/dbraw/zinc/77/65/38/1163776538.db2.gz DSJYICSVAPLJQU-UHFFFAOYSA-N -1 1 296.334 1.283 20 0 CDADMM Cc1nsc(NC(=O)CC(C)C)c1-c1nnn[n-]1 ZINC001606149099 1163788773 /nfs/dbraw/zinc/78/87/73/1163788773.db2.gz DZCIFYCTKZIIRD-UHFFFAOYSA-N -1 1 266.330 1.616 20 0 CDADMM Cc1nsc(NC(=O)CC(C)C)c1-c1nn[n-]n1 ZINC001606149099 1163788777 /nfs/dbraw/zinc/78/87/77/1163788777.db2.gz DZCIFYCTKZIIRD-UHFFFAOYSA-N -1 1 266.330 1.616 20 0 CDADMM Cc1sccc1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001606185169 1163800945 /nfs/dbraw/zinc/80/09/45/1163800945.db2.gz OLEOXSADLSZFAN-UHFFFAOYSA-N -1 1 261.314 1.572 20 0 CDADMM Cc1sccc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001606185169 1163800949 /nfs/dbraw/zinc/80/09/49/1163800949.db2.gz OLEOXSADLSZFAN-UHFFFAOYSA-N -1 1 261.314 1.572 20 0 CDADMM Cn1nc(C2CC2)cc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001606268248 1163831369 /nfs/dbraw/zinc/83/13/69/1163831369.db2.gz MMHIIYSSJLCBOR-UHFFFAOYSA-N -1 1 299.294 1.323 20 0 CDADMM COC(=O)C1(NC[C@@H]2CCCC[C@H]2C(=O)[O-])CCCC1 ZINC001606353704 1163877143 /nfs/dbraw/zinc/87/71/43/1163877143.db2.gz DSZTVNLKEIBAHK-NWDGAFQWSA-N -1 1 283.368 1.953 20 0 CDADMM COC(=O)C[C@H]1CCCN1Cc1cc(C(=O)[O-])co1 ZINC001606447679 1163903625 /nfs/dbraw/zinc/90/36/25/1163903625.db2.gz WXBCFBVDCRGCDI-SNVBAGLBSA-N -1 1 267.281 1.505 20 0 CDADMM O=C(C=Cc1ccsc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001606487180 1163913459 /nfs/dbraw/zinc/91/34/59/1163913459.db2.gz IFOMPBAKAWAOTR-UPHRSURJSA-N -1 1 287.308 1.303 20 0 CDADMM O=C(C=Cc1ccsc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001606487180 1163913465 /nfs/dbraw/zinc/91/34/65/1163913465.db2.gz IFOMPBAKAWAOTR-UPHRSURJSA-N -1 1 287.308 1.303 20 0 CDADMM O=C(C[C@@H]1C=CCC1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001606493918 1163915270 /nfs/dbraw/zinc/91/52/70/1163915270.db2.gz CDLCEBYWQZUNLW-SECBINFHSA-N -1 1 285.307 1.867 20 0 CDADMM CO[C@@H](C[N@@H+](CCC(=O)[O-])CC(=O)[O-])C1CCCC1 ZINC001606673891 1163956237 /nfs/dbraw/zinc/95/62/37/1163956237.db2.gz AFPJRZRIQCPNGO-NSHDSACASA-N -1 1 273.329 1.053 20 0 CDADMM O=C(NOCc1nc(-c2nnn[n-]2)cs1)C1CCCC1 ZINC001606864280 1164019113 /nfs/dbraw/zinc/01/91/13/1164019113.db2.gz ZIOAPLINFYSTSH-UHFFFAOYSA-N -1 1 294.340 1.061 20 0 CDADMM O=C(NOCc1nc(-c2nn[n-]n2)cs1)C1CCCC1 ZINC001606864280 1164019119 /nfs/dbraw/zinc/01/91/19/1164019119.db2.gz ZIOAPLINFYSTSH-UHFFFAOYSA-N -1 1 294.340 1.061 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@H]1CCCC12CC2 ZINC001606945758 1164037115 /nfs/dbraw/zinc/03/71/15/1164037115.db2.gz NKRJBXONKASDPS-SSDOTTSWSA-N -1 1 273.300 1.109 20 0 CDADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)C1(CCF)CC1 ZINC001606979435 1164047990 /nfs/dbraw/zinc/04/79/90/1164047990.db2.gz YZFAIMHRGQULAP-UHFFFAOYSA-N -1 1 280.259 1.643 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)C1(CCF)CC1 ZINC001606979435 1164047996 /nfs/dbraw/zinc/04/79/96/1164047996.db2.gz YZFAIMHRGQULAP-UHFFFAOYSA-N -1 1 280.259 1.643 20 0 CDADMM c1cn2c(n1)[C@@H](Nc1cccc(-c3nnn[n-]3)n1)CC2 ZINC001607120012 1164103631 /nfs/dbraw/zinc/10/36/31/1164103631.db2.gz QEKLVXAQNXLYOS-VIFPVBQESA-N -1 1 268.284 1.015 20 0 CDADMM c1cn2c(n1)[C@@H](Nc1cccc(-c3nn[n-]n3)n1)CC2 ZINC001607120012 1164103635 /nfs/dbraw/zinc/10/36/35/1164103635.db2.gz QEKLVXAQNXLYOS-VIFPVBQESA-N -1 1 268.284 1.015 20 0 CDADMM COc1ccc([C@@H](NCc2cc(C)[nH]n2)C(=O)[O-])cc1 ZINC001607234777 1164134259 /nfs/dbraw/zinc/13/42/59/1164134259.db2.gz NWXIVWRJKZPSTL-CYBMUJFWSA-N -1 1 275.308 1.642 20 0 CDADMM Cc1nc[nH]c1C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC001607500227 1164209926 /nfs/dbraw/zinc/20/99/26/1164209926.db2.gz XLUCUJFNIPMGCR-UHFFFAOYSA-N -1 1 294.336 1.834 20 0 CDADMM Cc1[nH]nc(CN(CCC(F)(F)F)CC(=O)[O-])c1C ZINC001607500245 1164210687 /nfs/dbraw/zinc/21/06/87/1164210687.db2.gz NCRRNPWQYMXZPV-UHFFFAOYSA-N -1 1 279.262 1.866 20 0 CDADMM Cc1cc(CN)oc1C(=O)NC1(CC(=O)[O-])CCC1 ZINC001607640826 1164252466 /nfs/dbraw/zinc/25/24/66/1164252466.db2.gz ZPQFRZKJQWOQTI-UHFFFAOYSA-N -1 1 266.297 1.174 20 0 CDADMM Cc1ccc(CN[C@H](CC(F)(F)F)C(=O)[O-])nn1 ZINC001607782658 1164295869 /nfs/dbraw/zinc/29/58/69/1164295869.db2.gz CHHWUVRHVNAZAI-MRVPVSSYSA-N -1 1 263.219 1.280 20 0 CDADMM Cc1nc2ccc(NC(=O)c3cc(C(=O)[O-])nn3C)cc2[nH]1 ZINC001607971000 1164356822 /nfs/dbraw/zinc/35/68/22/1164356822.db2.gz YLZOFCBETHRMMM-UHFFFAOYSA-N -1 1 299.290 1.555 20 0 CDADMM NC(=O)CN1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001608234402 1164462504 /nfs/dbraw/zinc/46/25/04/1164462504.db2.gz DFNHCMACADPDRY-UHFFFAOYSA-N -1 1 276.336 1.125 20 0 CDADMM Nc1c(NC(=O)c2cncc3nc[nH]c32)cccc1C(=O)[O-] ZINC001608270106 1164474252 /nfs/dbraw/zinc/47/42/52/1164474252.db2.gz FQIIPOQJIYQYIK-UHFFFAOYSA-N -1 1 297.274 1.491 20 0 CDADMM O=C([O-])[C@]12CCC[C@H]1N(C(=O)CCN1CC[C@@H](F)C1)CC2 ZINC001608308248 1164487190 /nfs/dbraw/zinc/48/71/90/1164487190.db2.gz PCMGHFNJFRJNLD-JMSVASOKSA-N -1 1 298.358 1.276 20 0 CDADMM O=C([O-])[C@H](O)C1CCN(CCC(=O)c2ccccc2)CC1 ZINC001608308434 1164487705 /nfs/dbraw/zinc/48/77/05/1164487705.db2.gz SBCOCQOPEHOAGB-OAHLLOKOSA-N -1 1 291.347 1.417 20 0 CDADMM COC(=O)c1c[n-]c(SC[C@H]2CCO[C@@H]2C)n1 ZINC000865363902 1164638401 /nfs/dbraw/zinc/63/84/01/1164638401.db2.gz XTUAHVZQAKMIBW-HTQZYQBOSA-N -1 1 256.327 1.713 20 0 CDADMM C[C@@H](CCc1cccn1C)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001609112274 1164777918 /nfs/dbraw/zinc/77/79/18/1164777918.db2.gz ZRKULEKHEKQQBD-NSHDSACASA-N -1 1 297.366 1.455 20 0 CDADMM C[C@@H](CCc1cccn1C)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001609112274 1164777926 /nfs/dbraw/zinc/77/79/26/1164777926.db2.gz ZRKULEKHEKQQBD-NSHDSACASA-N -1 1 297.366 1.455 20 0 CDADMM C[C@]1(CNc2ccnc(-c3nnn[n-]3)c2)CCCC[C@@H]1O ZINC001609149475 1164797376 /nfs/dbraw/zinc/79/73/76/1164797376.db2.gz NYWZPAPPFDIZDZ-GXTWGEPZSA-N -1 1 288.355 1.037 20 0 CDADMM C[C@]1(CNc2ccnc(-c3nn[n-]n3)c2)CCCC[C@@H]1O ZINC001609149475 1164797382 /nfs/dbraw/zinc/79/73/82/1164797382.db2.gz NYWZPAPPFDIZDZ-GXTWGEPZSA-N -1 1 288.355 1.037 20 0 CDADMM C[C@@H]1C[C@@H](COc2ccc(F)nc2-c2nnn[n-]2)CCO1 ZINC001609157809 1164807421 /nfs/dbraw/zinc/80/74/21/1164807421.db2.gz VZTYLXMUWGXBSN-BDAKNGLRSA-N -1 1 293.302 1.595 20 0 CDADMM C[C@@H]1C[C@@H](COc2ccc(F)nc2-c2nn[n-]n2)CCO1 ZINC001609157809 1164807428 /nfs/dbraw/zinc/80/74/28/1164807428.db2.gz VZTYLXMUWGXBSN-BDAKNGLRSA-N -1 1 293.302 1.595 20 0 CDADMM C[C@@H]1CN(c2cccnc2-c2nnn[n-]2)C[C@@H](C)S1 ZINC001609176300 1164817742 /nfs/dbraw/zinc/81/77/42/1164817742.db2.gz RNNRPZRACHWCQM-RKDXNWHRSA-N -1 1 276.369 1.592 20 0 CDADMM C[C@@H]1CN(c2cccnc2-c2nn[n-]n2)C[C@@H](C)S1 ZINC001609176300 1164817747 /nfs/dbraw/zinc/81/77/47/1164817747.db2.gz RNNRPZRACHWCQM-RKDXNWHRSA-N -1 1 276.369 1.592 20 0 CDADMM C[C@H]1Oc2ccccc2[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001609178812 1164820330 /nfs/dbraw/zinc/82/03/30/1164820330.db2.gz FFGDVWDCTFSGHC-OQPBUACISA-N -1 1 295.306 1.591 20 0 CDADMM C[C@H]1Oc2ccccc2[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001609178812 1164820335 /nfs/dbraw/zinc/82/03/35/1164820335.db2.gz FFGDVWDCTFSGHC-OQPBUACISA-N -1 1 295.306 1.591 20 0 CDADMM CCC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000867597055 1164843029 /nfs/dbraw/zinc/84/30/29/1164843029.db2.gz RFDPNMLESCYACI-HTQZYQBOSA-N -1 1 276.308 1.827 20 0 CDADMM CC1([N-]S(=O)(=O)c2cc3ccccc3o2)COC1 ZINC000867631796 1164846492 /nfs/dbraw/zinc/84/64/92/1164846492.db2.gz RNCHUGZPGHHOGP-UHFFFAOYSA-N -1 1 267.306 1.500 20 0 CDADMM CCc1cnccc1C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001609253716 1164867974 /nfs/dbraw/zinc/86/79/74/1164867974.db2.gz JJXDBJZPRLTESX-UHFFFAOYSA-N -1 1 298.310 1.108 20 0 CDADMM COCC1CCC(Nc2cccnc2-c2nnn[n-]2)CC1 ZINC001609319403 1164897067 /nfs/dbraw/zinc/89/70/67/1164897067.db2.gz DIZGJVBYOYBLND-UHFFFAOYSA-N -1 1 288.355 1.879 20 0 CDADMM COCC1CCC(Nc2cccnc2-c2nn[n-]n2)CC1 ZINC001609319403 1164897079 /nfs/dbraw/zinc/89/70/79/1164897079.db2.gz DIZGJVBYOYBLND-UHFFFAOYSA-N -1 1 288.355 1.879 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](C(C)C)C2)n1 ZINC001609391693 1164923447 /nfs/dbraw/zinc/92/34/47/1164923447.db2.gz SFYGSLDNOQBOHC-NSHDSACASA-N -1 1 287.371 1.838 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](C(C)C)C2)n1 ZINC001609391693 1164923453 /nfs/dbraw/zinc/92/34/53/1164923453.db2.gz SFYGSLDNOQBOHC-NSHDSACASA-N -1 1 287.371 1.838 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCC2(C)CCOCC2)n1 ZINC001609392351 1164924827 /nfs/dbraw/zinc/92/48/27/1164924827.db2.gz NKKRAXUVFUERKH-UHFFFAOYSA-N -1 1 289.343 1.194 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCC2(C)CCOCC2)n1 ZINC001609392351 1164924831 /nfs/dbraw/zinc/92/48/31/1164924831.db2.gz NKKRAXUVFUERKH-UHFFFAOYSA-N -1 1 289.343 1.194 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CC=CCC2)n1 ZINC001609392585 1164925655 /nfs/dbraw/zinc/92/56/55/1164925655.db2.gz WHFDOMCRBYYHKP-SNVBAGLBSA-N -1 1 271.328 1.733 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CC=CCC2)n1 ZINC001609392585 1164925661 /nfs/dbraw/zinc/92/56/61/1164925661.db2.gz WHFDOMCRBYYHKP-SNVBAGLBSA-N -1 1 271.328 1.733 20 0 CDADMM Cc1onc(Cc2nnc(C3CCC3)o2)c1-c1nnn[n-]1 ZINC001609471219 1164964328 /nfs/dbraw/zinc/96/43/28/1164964328.db2.gz AUBPEMYDEQFZHV-UHFFFAOYSA-N -1 1 287.283 1.404 20 0 CDADMM Cc1onc(Cc2nnc(C3CCC3)o2)c1-c1nn[n-]n1 ZINC001609471219 1164964335 /nfs/dbraw/zinc/96/43/35/1164964335.db2.gz AUBPEMYDEQFZHV-UHFFFAOYSA-N -1 1 287.283 1.404 20 0 CDADMM O=C(OCCC1CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609574084 1164994379 /nfs/dbraw/zinc/99/43/79/1164994379.db2.gz GRAIKYSZSBUUJF-UHFFFAOYSA-N -1 1 259.269 1.219 20 0 CDADMM O=C(OCCC1CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609574084 1164994386 /nfs/dbraw/zinc/99/43/86/1164994386.db2.gz GRAIKYSZSBUUJF-UHFFFAOYSA-N -1 1 259.269 1.219 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC001609618999 1165015867 /nfs/dbraw/zinc/01/58/67/1165015867.db2.gz DANZLHLKUDXQCV-WDEREUQCSA-N -1 1 286.339 1.125 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC001609618999 1165015875 /nfs/dbraw/zinc/01/58/75/1165015875.db2.gz DANZLHLKUDXQCV-WDEREUQCSA-N -1 1 286.339 1.125 20 0 CDADMM C[C@@](CC(=O)[O-])(NCC(=O)NC1CC1)c1cccc(F)c1 ZINC001609729922 1165058619 /nfs/dbraw/zinc/05/86/19/1165058619.db2.gz GKGPJERMSJCRIU-HNNXBMFYSA-N -1 1 294.326 1.384 20 0 CDADMM C[C@H](N[C@@H](C(=O)[O-])C1CC1)C(=O)N(C)C1CCCCC1 ZINC001609774138 1165074263 /nfs/dbraw/zinc/07/42/63/1165074263.db2.gz JSEGWXDDPDXVRX-GXFFZTMASA-N -1 1 282.384 1.619 20 0 CDADMM C[C@H](NCC(=O)Nc1cccc(C(=O)[O-])c1)c1cn[nH]c1 ZINC001609775371 1165075508 /nfs/dbraw/zinc/07/55/08/1165075508.db2.gz ZLJCGYIGAHUWKK-VIFPVBQESA-N -1 1 288.307 1.397 20 0 CDADMM C[C@@H](O)CCN1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001609788304 1165082093 /nfs/dbraw/zinc/08/20/93/1165082093.db2.gz WELYHOYDAXMWFX-SNVBAGLBSA-N -1 1 284.381 1.339 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CN2C[C@@H](C3CC3)O[C@@H](C)C2)O1 ZINC001609828704 1165100260 /nfs/dbraw/zinc/10/02/60/1165100260.db2.gz MRKKIABDVQWCFF-BHYNMZESSA-N -1 1 281.352 1.633 20 0 CDADMM C[C@H]1CC2(CCC2)CN1Cn1cc(C(=O)[O-])nn1 ZINC001609846690 1165110669 /nfs/dbraw/zinc/11/06/69/1165110669.db2.gz JLVQEFSCHOADNI-VIFPVBQESA-N -1 1 250.302 1.198 20 0 CDADMM COc1cc2c(c(CN3CC(C)(C(=O)[O-])C3)c1)O[C@H](C)C2 ZINC001610307192 1165288228 /nfs/dbraw/zinc/28/82/28/1165288228.db2.gz JSVVGJRYMMRYDK-SNVBAGLBSA-N -1 1 291.347 1.925 20 0 CDADMM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)cn1 ZINC001610513010 1165334678 /nfs/dbraw/zinc/33/46/78/1165334678.db2.gz DFFOTKYLWJWWFB-UHFFFAOYSA-N -1 1 298.345 1.951 20 0 CDADMM Cc1[nH+]c(N[C@@H](CC(C)C)C(=O)[O-])ccc1C(=O)[O-] ZINC001610558698 1165355484 /nfs/dbraw/zinc/35/54/84/1165355484.db2.gz VEJNSYILSJFAII-JTQLQIEISA-N -1 1 266.297 1.999 20 0 CDADMM Cc1oc(CN(C)[C@@H]2CCN3CCO[C@H]2C3)cc1C(=O)[O-] ZINC001610582701 1165364985 /nfs/dbraw/zinc/36/49/85/1165364985.db2.gz XAIYCTGRCLPXMW-KGLIPLIRSA-N -1 1 294.351 1.191 20 0 CDADMM NC1(c2noc(-c3ccc(C(=O)[O-])cn3)n2)CCC1 ZINC001610643210 1165392105 /nfs/dbraw/zinc/39/21/05/1165392105.db2.gz OIHSUKGTDXZMCM-UHFFFAOYSA-N -1 1 260.253 1.168 20 0 CDADMM Cc1ccc(C(=O)N(C)c2nn[n-]n2)c2ncccc12 ZINC001617642980 1165603324 /nfs/dbraw/zinc/60/33/24/1165603324.db2.gz YLSNMJLDXQTZNC-UHFFFAOYSA-N -1 1 268.280 1.333 20 0 CDADMM O=C(Cn1cnc([N+](=O)[O-])c1)c1ccc([O-])cc1O ZINC000029749556 1165712608 /nfs/dbraw/zinc/71/26/08/1165712608.db2.gz ZEFXDPMYFIGNDK-UHFFFAOYSA-N -1 1 263.209 1.085 20 0 CDADMM O=C(Nc1cc([O-])c(F)cc1F)c1cn2cccnc2n1 ZINC001629319657 1166129292 /nfs/dbraw/zinc/12/92/92/1166129292.db2.gz WAQDGEBJUIEXSS-UHFFFAOYSA-N -1 1 290.229 1.965 20 0 CDADMM O=C(Nc1ccc(-n2cncn2)nc1)c1ccc(F)c([O-])c1 ZINC001629613418 1166152443 /nfs/dbraw/zinc/15/24/43/1166152443.db2.gz FGTYWGKJMHMFQC-UHFFFAOYSA-N -1 1 299.265 1.759 20 0 CDADMM O=C(Nc1ccc2c(cc[nH]c2=O)c1)c1cncc([O-])c1 ZINC001632458105 1166351188 /nfs/dbraw/zinc/35/11/88/1166351188.db2.gz URNKPSWINOSUSM-UHFFFAOYSA-N -1 1 281.271 1.881 20 0 CDADMM C[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccns1 ZINC000885166686 1166516901 /nfs/dbraw/zinc/51/69/01/1166516901.db2.gz GBKMAZXBHQRYRE-IUCAKERBSA-N -1 1 260.384 1.858 20 0 CDADMM Cc1nc(CNC(=O)c2ccc([O-])cc2F)[nH]c1C ZINC001635375746 1166582982 /nfs/dbraw/zinc/58/29/82/1166582982.db2.gz NIUKTRCYCBTOTF-UHFFFAOYSA-N -1 1 263.272 1.801 20 0 CDADMM Nc1nnc(CC(=O)Nc2ccc([O-])c(Cl)c2)s1 ZINC001151583330 1167082732 /nfs/dbraw/zinc/08/27/32/1167082732.db2.gz XUIYDCSYHBXCLE-UHFFFAOYSA-N -1 1 284.728 1.661 20 0 CDADMM CC(=O)CC(C)(C)NC(=O)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155273655 1167112411 /nfs/dbraw/zinc/11/24/11/1167112411.db2.gz RVOQWYGABXBAPT-UHFFFAOYSA-N -1 1 275.308 1.756 20 0 CDADMM CCc1ccc2nc(-c3cnn(C)c3)[n-]c(=O)c2c1 ZINC000057772155 1167177189 /nfs/dbraw/zinc/17/71/89/1167177189.db2.gz DLVNMVHUVQTZFG-UHFFFAOYSA-N -1 1 254.293 1.886 20 0 CDADMM CCCN1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)CC1CC1 ZINC001645691801 1167466576 /nfs/dbraw/zinc/46/65/76/1167466576.db2.gz SEKRCPNFKDLCLT-GFCCVEGCSA-N -1 1 288.413 1.107 20 0 CDADMM C[C@H](CN(C)C(=O)c1onc2ccccc21)c1nn[n-]n1 ZINC001567309721 1168673256 /nfs/dbraw/zinc/67/32/56/1168673256.db2.gz JMIITUKQBCVZKI-MRVPVSSYSA-N -1 1 286.295 1.217 20 0 CDADMM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H](N)c2ccccc2)C1 ZINC000062915564 1169091455 /nfs/dbraw/zinc/09/14/55/1169091455.db2.gz SMVYCPGLYIRXOI-FZMZJTMJSA-N -1 1 262.309 1.010 20 0 CDADMM Cc1nc([C@H](C)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)n[nH]1 ZINC001574179906 1170907231 /nfs/dbraw/zinc/90/72/31/1170907231.db2.gz YSVFETKWLCJOBA-UIISKDMLSA-N -1 1 292.261 1.369 20 0 CDADMM Cc1noc([C@H](NC[C@@H]2C[C@H]2C(=O)[O-])C(C)C)n1 ZINC001574197303 1170914740 /nfs/dbraw/zinc/91/47/40/1170914740.db2.gz IOBGLFZQAABUJR-IVZWLZJFSA-N -1 1 253.302 1.385 20 0 CDADMM Cn1cc(Cl)c(CN[C@@H](C[C@H]2CCCO2)C(=O)[O-])n1 ZINC001574213605 1170922419 /nfs/dbraw/zinc/92/24/19/1170922419.db2.gz NLEGDVIOOFVKKI-SCZZXKLOSA-N -1 1 287.747 1.185 20 0 CDADMM O=C([O-])[C@@H]1CN(Cc2cccn2C(F)F)CC12COC2 ZINC001574356060 1170957542 /nfs/dbraw/zinc/95/75/42/1170957542.db2.gz XNNDBJXYKHZRQS-JTQLQIEISA-N -1 1 286.278 1.416 20 0 CDADMM O=C(Nc1ccncc1[O-])c1ccc2cnccc2n1 ZINC001650783677 1171257799 /nfs/dbraw/zinc/25/77/99/1171257799.db2.gz XBEQNBCECRMYFQ-UHFFFAOYSA-N -1 1 266.260 1.405 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cnnc(-c2ccccc2)c1 ZINC001654603446 1171623630 /nfs/dbraw/zinc/62/36/30/1171623630.db2.gz OETYAWJMKXRSPI-UHFFFAOYSA-N -1 1 281.275 1.825 20 0 CDADMM CC(C)(C(=O)Nc1c[n-][nH]c1=O)C1CCOCC1 ZINC001654603703 1171625234 /nfs/dbraw/zinc/62/52/34/1171625234.db2.gz ZLDDZIGNJODUPG-UHFFFAOYSA-N -1 1 253.302 1.507 20 0 CDADMM CSC[C@H](C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001580221060 1172375143 /nfs/dbraw/zinc/37/51/43/1172375143.db2.gz KXGZTEGJHXXDQC-ZETCQYMHSA-N -1 1 297.409 1.544 20 0 CDADMM Cc1cnc(COC(=O)c2csc(-c3nnn[n-]3)c2)o1 ZINC001581321211 1172602393 /nfs/dbraw/zinc/60/23/93/1172602393.db2.gz HMORFKFLRZJRCY-UHFFFAOYSA-N -1 1 291.292 1.582 20 0 CDADMM Cc1cnc(COC(=O)c2csc(-c3nn[n-]n3)c2)o1 ZINC001581321211 1172602396 /nfs/dbraw/zinc/60/23/96/1172602396.db2.gz HMORFKFLRZJRCY-UHFFFAOYSA-N -1 1 291.292 1.582 20 0 CDADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@H]1C[C@H]1F ZINC001586211236 1172937337 /nfs/dbraw/zinc/93/73/37/1172937337.db2.gz LBLJZDKZSGCORX-WDEREUQCSA-N -1 1 261.256 1.874 20 0 CDADMM CC(C)(C)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589075100 1173121985 /nfs/dbraw/zinc/12/19/85/1173121985.db2.gz OHHORJPQUXEAFW-UHFFFAOYSA-N -1 1 278.268 1.232 20 0 CDADMM CC(C)(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001589104590 1173124598 /nfs/dbraw/zinc/12/45/98/1173124598.db2.gz DXJMYRVQYFBCQV-VIFPVBQESA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001589104590 1173124600 /nfs/dbraw/zinc/12/46/00/1173124600.db2.gz DXJMYRVQYFBCQV-VIFPVBQESA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)(C)CCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001589124348 1173126990 /nfs/dbraw/zinc/12/69/90/1173126990.db2.gz FOMAORDOSFXFKC-UHFFFAOYSA-N -1 1 261.333 1.895 20 0 CDADMM CC(C)(C)CCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001589124348 1173126993 /nfs/dbraw/zinc/12/69/93/1173126993.db2.gz FOMAORDOSFXFKC-UHFFFAOYSA-N -1 1 261.333 1.895 20 0 CDADMM CC(C)OCCCCNc1cc(-c2nnn[n-]2)ncn1 ZINC001589747872 1173172439 /nfs/dbraw/zinc/17/24/39/1173172439.db2.gz HQAVFAWPWAZARJ-UHFFFAOYSA-N -1 1 277.332 1.274 20 0 CDADMM CC(C)OCCCCNc1cc(-c2nn[n-]n2)ncn1 ZINC001589747872 1173172447 /nfs/dbraw/zinc/17/24/47/1173172447.db2.gz HQAVFAWPWAZARJ-UHFFFAOYSA-N -1 1 277.332 1.274 20 0 CDADMM CC(C)SCCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589761659 1173175647 /nfs/dbraw/zinc/17/56/47/1173175647.db2.gz ZQXWAVYFCUEELE-UHFFFAOYSA-N -1 1 297.409 1.800 20 0 CDADMM CC(C)c1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)n[nH]1 ZINC001589767439 1173177395 /nfs/dbraw/zinc/17/73/95/1173177395.db2.gz ZUNFOGJFUABTBY-UHFFFAOYSA-N -1 1 287.283 1.559 20 0 CDADMM CC(C)c1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)n[nH]1 ZINC001589767439 1173177400 /nfs/dbraw/zinc/17/74/00/1173177400.db2.gz ZUNFOGJFUABTBY-UHFFFAOYSA-N -1 1 287.283 1.559 20 0 CDADMM CC(C)c1nn(C)cc1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589777706 1173179387 /nfs/dbraw/zinc/17/93/87/1173179387.db2.gz LMIYAGJOORYFMD-UHFFFAOYSA-N -1 1 284.327 1.284 20 0 CDADMM CC(C)c1nn(C)cc1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589777706 1173179391 /nfs/dbraw/zinc/17/93/91/1173179391.db2.gz LMIYAGJOORYFMD-UHFFFAOYSA-N -1 1 284.327 1.284 20 0 CDADMM CC(C)n1nccc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589785482 1173180281 /nfs/dbraw/zinc/18/02/81/1173180281.db2.gz FQWZTUYSJVKSTJ-UHFFFAOYSA-N -1 1 298.310 1.291 20 0 CDADMM CC(C)n1nccc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589785482 1173180285 /nfs/dbraw/zinc/18/02/85/1173180285.db2.gz FQWZTUYSJVKSTJ-UHFFFAOYSA-N -1 1 298.310 1.291 20 0 CDADMM C[C@H](C[C@H]1CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589804141 1173183055 /nfs/dbraw/zinc/18/30/55/1173183055.db2.gz XFFBHUDIVWMRRK-RKDXNWHRSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@H](C[C@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589804141 1173183059 /nfs/dbraw/zinc/18/30/59/1173183059.db2.gz XFFBHUDIVWMRRK-RKDXNWHRSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@@H](CCO)[N@@H+](C)Cc1cc(-c2nn[nH]n2)cnc1Cl ZINC001589835585 1173190207 /nfs/dbraw/zinc/19/02/07/1173190207.db2.gz XCQVGKCUKMCMPO-QMMMGPOBSA-N -1 1 296.762 1.118 20 0 CDADMM CC1(C)CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001590090739 1173253794 /nfs/dbraw/zinc/25/37/94/1173253794.db2.gz OCMGQPYSEHIHGO-UHFFFAOYSA-N -1 1 287.371 1.707 20 0 CDADMM CC1(C)CC[C@@H](CNC(=O)c2coc(-c3nnn[n-]3)c2)O1 ZINC001590089722 1173253823 /nfs/dbraw/zinc/25/38/23/1173253823.db2.gz CJOHGGNJCCFICW-VIFPVBQESA-N -1 1 291.311 1.147 20 0 CDADMM CC1(C)CC[C@@H](CNC(=O)c2coc(-c3nn[n-]n3)c2)O1 ZINC001590089722 1173253825 /nfs/dbraw/zinc/25/38/25/1173253825.db2.gz CJOHGGNJCCFICW-VIFPVBQESA-N -1 1 291.311 1.147 20 0 CDADMM CC1(C)CC[C@@H]1OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590093410 1173253939 /nfs/dbraw/zinc/25/39/39/1173253939.db2.gz QFWHCFPBSOWKJC-JTQLQIEISA-N -1 1 273.296 1.607 20 0 CDADMM CC1(C)CC[C@@H]1OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590093410 1173253942 /nfs/dbraw/zinc/25/39/42/1173253942.db2.gz QFWHCFPBSOWKJC-JTQLQIEISA-N -1 1 273.296 1.607 20 0 CDADMM CC1(C)CC[C@@H]1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590093672 1173255167 /nfs/dbraw/zinc/25/51/67/1173255167.db2.gz UVDFALQPUNDDRA-SSDOTTSWSA-N -1 1 292.368 1.376 20 0 CDADMM CC1(C)CC[C@@H]1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590093672 1173255169 /nfs/dbraw/zinc/25/51/69/1173255169.db2.gz UVDFALQPUNDDRA-SSDOTTSWSA-N -1 1 292.368 1.376 20 0 CDADMM CC1(C)CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590095893 1173256367 /nfs/dbraw/zinc/25/63/67/1173256367.db2.gz CLGCITBICPHNPU-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CC1(C)CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590095893 1173256371 /nfs/dbraw/zinc/25/63/71/1173256371.db2.gz CLGCITBICPHNPU-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CC1(C)CCC[C@@H](n2cccc(-c3nn[n-]n3)c2=O)C1=O ZINC001590098640 1173257569 /nfs/dbraw/zinc/25/75/69/1173257569.db2.gz XMMAJQAIZMBPNP-SNVBAGLBSA-N -1 1 287.323 1.349 20 0 CDADMM CC1(F)CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001590141674 1173270484 /nfs/dbraw/zinc/27/04/84/1173270484.db2.gz MRMKTOBCBHUPAJ-UHFFFAOYSA-N -1 1 290.302 1.226 20 0 CDADMM CC1(F)CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001590141674 1173270492 /nfs/dbraw/zinc/27/04/92/1173270492.db2.gz MRMKTOBCBHUPAJ-UHFFFAOYSA-N -1 1 290.302 1.226 20 0 CDADMM C[C@@]1(c2noc(-c3ccnc(-c4nnn[n-]4)c3)n2)CCCO1 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260.301 1.240 20 0 CDADMM C[C@@H]1C[C@@H]1CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590221418 1173301030 /nfs/dbraw/zinc/30/10/30/1173301030.db2.gz SSZSJPMGXAERQY-HTQZYQBOSA-N -1 1 273.300 1.039 20 0 CDADMM C[C@@H]1C[C@@H]1CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590221418 1173301034 /nfs/dbraw/zinc/30/10/34/1173301034.db2.gz SSZSJPMGXAERQY-HTQZYQBOSA-N -1 1 273.300 1.039 20 0 CDADMM C[C@H]1CC[C@H](C)N(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590226589 1173304203 /nfs/dbraw/zinc/30/42/03/1173304203.db2.gz DLLKFMNBQCSPPV-UWVGGRQHSA-N -1 1 286.339 1.522 20 0 CDADMM C[C@H]1CC[C@H](C)N(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590226589 1173304211 /nfs/dbraw/zinc/30/42/11/1173304211.db2.gz DLLKFMNBQCSPPV-UWVGGRQHSA-N -1 1 286.339 1.522 20 0 CDADMM C[C@H]1CCC[C@@H](C2CN(c3cc(-c4nnn[n-]4)ncn3)C2)C1 ZINC001590244672 1173316271 /nfs/dbraw/zinc/31/62/71/1173316271.db2.gz UAMWAMUXSQRWPV-WDEREUQCSA-N -1 1 299.382 1.919 20 0 CDADMM C[C@H]1CCC[C@@H](C2CN(c3cc(-c4nn[n-]n4)ncn3)C2)C1 ZINC001590244672 1173316279 /nfs/dbraw/zinc/31/62/79/1173316279.db2.gz UAMWAMUXSQRWPV-WDEREUQCSA-N -1 1 299.382 1.919 20 0 CDADMM C[C@@H]1CCC[C@@H](C2CN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001590244388 1173318638 /nfs/dbraw/zinc/31/86/38/1173318638.db2.gz SBFJVIAQZWOFAJ-GHMZBOCLSA-N -1 1 299.382 1.919 20 0 CDADMM C[C@@H]1CCC[C@@H](C2CN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001590244388 1173318643 /nfs/dbraw/zinc/31/86/43/1173318643.db2.gz SBFJVIAQZWOFAJ-GHMZBOCLSA-N -1 1 299.382 1.919 20 0 CDADMM C[C@@H]1CCCC[C@@H]1CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001590250036 1173319941 /nfs/dbraw/zinc/31/99/41/1173319941.db2.gz DMXOBEIYISFREI-RKDXNWHRSA-N -1 1 289.343 1.502 20 0 CDADMM C[C@@H]1CN(C(=O)c2csc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001590300450 1173345060 /nfs/dbraw/zinc/34/50/60/1173345060.db2.gz AOBALNODCWOBGL-HTQZYQBOSA-N -1 1 277.353 1.656 20 0 CDADMM CCC(C)(C)C(=O)COc1cccnc1-c1nnn[n-]1 ZINC001590372399 1173381269 /nfs/dbraw/zinc/38/12/69/1173381269.db2.gz UZUSGAHCVSALGK-UHFFFAOYSA-N -1 1 275.312 1.646 20 0 CDADMM CCC(C)(C)C(=O)COc1cccnc1-c1nn[n-]n1 ZINC001590372399 1173381273 /nfs/dbraw/zinc/38/12/73/1173381273.db2.gz UZUSGAHCVSALGK-UHFFFAOYSA-N -1 1 275.312 1.646 20 0 CDADMM CC/C(C)=C\C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001590389464 1173385031 /nfs/dbraw/zinc/38/50/31/1173385031.db2.gz SHGIIQKMCQPNLT-CLFYSBASSA-N -1 1 273.296 1.661 20 0 CDADMM CC/C(C)=C\C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001590389464 1173385038 /nfs/dbraw/zinc/38/50/38/1173385038.db2.gz SHGIIQKMCQPNLT-CLFYSBASSA-N -1 1 273.296 1.661 20 0 CDADMM CC[C@H](O)CCCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590474489 1173427520 /nfs/dbraw/zinc/42/75/20/1173427520.db2.gz ACNRJIWGBUMQMO-VIFPVBQESA-N -1 1 295.368 1.209 20 0 CDADMM CC[C@@H]1CC[C@@H](C)N1c1cncc(-c2nnn[n-]2)n1 ZINC001590505876 1173441011 /nfs/dbraw/zinc/44/10/11/1173441011.db2.gz WWPVCMJLVXAGQB-RKDXNWHRSA-N -1 1 259.317 1.424 20 0 CDADMM CC[C@@H]1CC[C@@H](C)N1c1cncc(-c2nn[n-]n2)n1 ZINC001590505876 1173441015 /nfs/dbraw/zinc/44/10/15/1173441015.db2.gz WWPVCMJLVXAGQB-RKDXNWHRSA-N -1 1 259.317 1.424 20 0 CDADMM CC[C@@H]1CCC[C@@H]1C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001590507641 1173442891 /nfs/dbraw/zinc/44/28/91/1173442891.db2.gz KKXBSXAGEWZIJK-BDAKNGLRSA-N -1 1 289.343 1.663 20 0 CDADMM CCC[C@@H](O)CCNc1cccnc1-c1nnn[n-]1 ZINC001590560750 1173462957 /nfs/dbraw/zinc/46/29/57/1173462957.db2.gz PXSBZBZPPBICJK-SECBINFHSA-N -1 1 262.317 1.225 20 0 CDADMM CCC[C@@H](O)CCNc1cccnc1-c1nn[n-]n1 ZINC001590560750 1173462963 /nfs/dbraw/zinc/46/29/63/1173462963.db2.gz PXSBZBZPPBICJK-SECBINFHSA-N -1 1 262.317 1.225 20 0 CDADMM CCC[C@@H](O)CCCSc1ccc(-c2nnn[n-]2)nn1 ZINC001590559326 1173464374 /nfs/dbraw/zinc/46/43/74/1173464374.db2.gz DZQBSZLAUUDZFT-SECBINFHSA-N -1 1 294.384 1.690 20 0 CDADMM CCC[C@@H](O)CCCSc1ccc(-c2nn[n-]n2)nn1 ZINC001590559326 1173464377 /nfs/dbraw/zinc/46/43/77/1173464377.db2.gz DZQBSZLAUUDZFT-SECBINFHSA-N -1 1 294.384 1.690 20 0 CDADMM CCCN(C)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001590618445 1173475479 /nfs/dbraw/zinc/47/54/79/1173475479.db2.gz QGDPPEYMJSLGML-UHFFFAOYSA-N -1 1 281.345 1.505 20 0 CDADMM CCCN(C)C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590618445 1173475484 /nfs/dbraw/zinc/47/54/84/1173475484.db2.gz QGDPPEYMJSLGML-UHFFFAOYSA-N -1 1 281.345 1.505 20 0 CDADMM CCCn1cc(CNc2n[nH]c(C)c2-c2nnn[n-]2)cn1 ZINC001590664147 1173483151 /nfs/dbraw/zinc/48/31/51/1173483151.db2.gz OWTAOWPVRIOYCE-UHFFFAOYSA-N -1 1 287.331 1.117 20 0 CDADMM CCCn1cc(CNc2n[nH]c(C)c2-c2nn[n-]n2)cn1 ZINC001590664147 1173483157 /nfs/dbraw/zinc/48/31/57/1173483157.db2.gz OWTAOWPVRIOYCE-UHFFFAOYSA-N -1 1 287.331 1.117 20 0 CDADMM CCCc1nc(Cn2c(C)c(C)nc2-c2nnn[n-]2)no1 ZINC001590661747 1173483384 /nfs/dbraw/zinc/48/33/84/1173483384.db2.gz WTUCYLSXNROXOQ-UHFFFAOYSA-N -1 1 288.315 1.064 20 0 CDADMM CCCc1nc(Cn2c(C)c(C)nc2-c2nn[n-]n2)no1 ZINC001590661747 1173483387 /nfs/dbraw/zinc/48/33/87/1173483387.db2.gz WTUCYLSXNROXOQ-UHFFFAOYSA-N -1 1 288.315 1.064 20 0 CDADMM CCN(C)C(=O)CSCc1nc(-c2nnn[n-]2)cs1 ZINC001590676914 1173486076 /nfs/dbraw/zinc/48/60/76/1173486076.db2.gz RFIJXOHSNNEQHC-UHFFFAOYSA-N -1 1 298.397 1.035 20 0 CDADMM CCN(C)C(=O)CSCc1nc(-c2nn[n-]n2)cs1 ZINC001590676914 1173486080 /nfs/dbraw/zinc/48/60/80/1173486080.db2.gz RFIJXOHSNNEQHC-UHFFFAOYSA-N -1 1 298.397 1.035 20 0 CDADMM CC[C@@H]1C[C@H]1Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2 ZINC001590860747 1173531194 /nfs/dbraw/zinc/53/11/94/1173531194.db2.gz YNLZYZWMEUCCDL-PWSUYJOCSA-N -1 1 299.378 1.953 20 0 CDADMM CCc1nc(N[C@H](C)c2cccnc2)cc(-c2nnn[n-]2)n1 ZINC001590916923 1173541754 /nfs/dbraw/zinc/54/17/54/1173541754.db2.gz NNNYGXALNXJXKJ-SECBINFHSA-N -1 1 296.338 1.787 20 0 CDADMM CCc1nc(N[C@H](C)c2cccnc2)cc(-c2nn[n-]n2)n1 ZINC001590916923 1173541760 /nfs/dbraw/zinc/54/17/60/1173541760.db2.gz NNNYGXALNXJXKJ-SECBINFHSA-N -1 1 296.338 1.787 20 0 CDADMM CCc1nc(N[C@H]2CCCC23CC3)cc(-c2nnn[n-]2)n1 ZINC001590917781 1173543331 /nfs/dbraw/zinc/54/33/31/1173543331.db2.gz YIOVPDYDUQKCCS-JTQLQIEISA-N -1 1 285.355 1.964 20 0 CDADMM CCc1nc(N[C@H]2CCCC23CC3)cc(-c2nn[n-]n2)n1 ZINC001590917781 1173543335 /nfs/dbraw/zinc/54/33/35/1173543335.db2.gz YIOVPDYDUQKCCS-JTQLQIEISA-N -1 1 285.355 1.964 20 0 CDADMM CCc1nc(SC[C@H]2CCCO2)cc(-c2nnn[n-]2)n1 ZINC001590925778 1173543967 /nfs/dbraw/zinc/54/39/67/1173543967.db2.gz XFYWLCLKYWAGCU-MRVPVSSYSA-N -1 1 292.368 1.490 20 0 CDADMM CCc1nc(SC[C@H]2CCCO2)cc(-c2nn[n-]n2)n1 ZINC001590925778 1173543974 /nfs/dbraw/zinc/54/39/74/1173543974.db2.gz XFYWLCLKYWAGCU-MRVPVSSYSA-N -1 1 292.368 1.490 20 0 CDADMM CN(CC1CCCC1)Cn1cccc(-c2nnn[n-]2)c1=O ZINC001591054217 1173569394 /nfs/dbraw/zinc/56/93/94/1173569394.db2.gz AJEWXNDJKRXHNS-UHFFFAOYSA-N -1 1 288.355 1.108 20 0 CDADMM COC(=O)c1cc(Nc2cccc(-c3nnn[n-]3)n2)cn1C ZINC001591290236 1173598474 /nfs/dbraw/zinc/59/84/74/1173598474.db2.gz KWWGQGKECPUJLJ-UHFFFAOYSA-N -1 1 299.294 1.130 20 0 CDADMM COC(=O)c1cc(Nc2cccc(-c3nn[n-]n3)n2)cn1C ZINC001591290236 1173598478 /nfs/dbraw/zinc/59/84/78/1173598478.db2.gz KWWGQGKECPUJLJ-UHFFFAOYSA-N -1 1 299.294 1.130 20 0 CDADMM COC(C)(C)CCNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001591316503 1173601991 /nfs/dbraw/zinc/60/19/91/1173601991.db2.gz KXGJCMHVBRRUKM-UHFFFAOYSA-N -1 1 276.344 1.797 20 0 CDADMM COC(C)(C)CCNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001591316503 1173601995 /nfs/dbraw/zinc/60/19/95/1173601995.db2.gz KXGJCMHVBRRUKM-UHFFFAOYSA-N -1 1 276.344 1.797 20 0 CDADMM CO[C@H]([C@H](C)NC(=O)c1coc(-c2nnn[n-]2)c1)C1CC1 ZINC001591326005 1173611787 /nfs/dbraw/zinc/61/17/87/1173611787.db2.gz FUZZAMVZVPKOSQ-WRWORJQWSA-N -1 1 291.311 1.003 20 0 CDADMM CO[C@H]([C@H](C)NC(=O)c1coc(-c2nn[n-]n2)c1)C1CC1 ZINC001591326005 1173611791 /nfs/dbraw/zinc/61/17/91/1173611791.db2.gz FUZZAMVZVPKOSQ-WRWORJQWSA-N -1 1 291.311 1.003 20 0 CDADMM CO[C@@H](COC(=O)c1sccc1-c1nn[n-]n1)C(C)C ZINC001591334767 1173614405 /nfs/dbraw/zinc/61/44/05/1173614405.db2.gz LTULDCBGEAWGBN-VIFPVBQESA-N -1 1 296.352 1.756 20 0 CDADMM COC[C@H]1CCCCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591392106 1173642704 /nfs/dbraw/zinc/64/27/04/1173642704.db2.gz DFDHYCRXSZBQEV-SNVBAGLBSA-N -1 1 291.311 1.101 20 0 CDADMM COC[C@H]1CCCCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591392106 1173642710 /nfs/dbraw/zinc/64/27/10/1173642710.db2.gz DFDHYCRXSZBQEV-SNVBAGLBSA-N -1 1 291.311 1.101 20 0 CDADMM CON(C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)C(C)C ZINC001591463785 1173654285 /nfs/dbraw/zinc/65/42/85/1173654285.db2.gz GHXXNVNLIZUDGU-UHFFFAOYSA-N -1 1 297.265 1.557 20 0 CDADMM CON(C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)C(C)C ZINC001591463785 1173654287 /nfs/dbraw/zinc/65/42/87/1173654287.db2.gz GHXXNVNLIZUDGU-UHFFFAOYSA-N -1 1 297.265 1.557 20 0 CDADMM COc1cccc2c1CN(c1ncncc1-c1nn[n-]n1)C2 ZINC001591643258 1173676379 /nfs/dbraw/zinc/67/63/79/1173676379.db2.gz FSJJOLYJCFCEPZ-UHFFFAOYSA-N -1 1 295.306 1.186 20 0 CDADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@H]2CC[C@H](C)C2)nn1C ZINC001591798679 1173707228 /nfs/dbraw/zinc/70/72/28/1173707228.db2.gz MQGDCBIGFGDJBQ-CBAPKCEASA-N -1 1 289.343 1.283 20 0 CDADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@H]2CC[C@H](C)C2)nn1C ZINC001591798679 1173707235 /nfs/dbraw/zinc/70/72/35/1173707235.db2.gz MQGDCBIGFGDJBQ-CBAPKCEASA-N -1 1 289.343 1.283 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@]2(C)C(C)C)n1 ZINC001591892918 1173742871 /nfs/dbraw/zinc/74/28/71/1173742871.db2.gz ULWNWGQSNMREGC-GWCFXTLKSA-N -1 1 273.344 1.812 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@]2(C)C(C)C)n1 ZINC001591892918 1173742873 /nfs/dbraw/zinc/74/28/73/1173742873.db2.gz ULWNWGQSNMREGC-GWCFXTLKSA-N -1 1 273.344 1.812 20 0 CDADMM Cc1cc(F)ccc1OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591993469 1173768013 /nfs/dbraw/zinc/76/80/13/1173768013.db2.gz LWXQXVXKIXKVGY-UHFFFAOYSA-N -1 1 299.265 1.928 20 0 CDADMM Cc1cc(F)ccc1OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591993469 1173768018 /nfs/dbraw/zinc/76/80/18/1173768018.db2.gz LWXQXVXKIXKVGY-UHFFFAOYSA-N -1 1 299.265 1.928 20 0 CDADMM Cc1ccc(N2C[C@H](CO)C[C@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001592176197 1173822471 /nfs/dbraw/zinc/82/24/71/1173822471.db2.gz XIXDGRVFVSDYKZ-GXSJLCMTSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(N2C[C@H](CO)C[C@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001592176197 1173822476 /nfs/dbraw/zinc/82/24/76/1173822476.db2.gz XIXDGRVFVSDYKZ-GXSJLCMTSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(N(C)Cc2ccc(O)cc2)nc1-c1nnn[n-]1 ZINC001592175042 1173823756 /nfs/dbraw/zinc/82/37/56/1173823756.db2.gz HLDWDVUVGGBNJU-UHFFFAOYSA-N -1 1 296.334 1.912 20 0 CDADMM Cc1ccc(N(C)Cc2ccc(O)cc2)nc1-c1nn[n-]n1 ZINC001592175042 1173823760 /nfs/dbraw/zinc/82/37/60/1173823760.db2.gz HLDWDVUVGGBNJU-UHFFFAOYSA-N -1 1 296.334 1.912 20 0 CDADMM Cc1cnccc1Sc1cc(-c2nnn[n-]2)ncn1 ZINC001592301796 1173852642 /nfs/dbraw/zinc/85/26/42/1173852642.db2.gz JZRFRWGRVOLSOO-UHFFFAOYSA-N -1 1 271.309 1.511 20 0 CDADMM Cc1cnccc1Sc1cc(-c2nn[n-]n2)ncn1 ZINC001592301796 1173852643 /nfs/dbraw/zinc/85/26/43/1173852643.db2.gz JZRFRWGRVOLSOO-UHFFFAOYSA-N -1 1 271.309 1.511 20 0 CDADMM Cc1n[nH]cc1Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001592331628 1173856485 /nfs/dbraw/zinc/85/64/85/1173856485.db2.gz LIGYRNADYAEACI-UHFFFAOYSA-N -1 1 283.299 1.309 20 0 CDADMM Cc1n[nH]cc1Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001592331628 1173856492 /nfs/dbraw/zinc/85/64/92/1173856492.db2.gz LIGYRNADYAEACI-UHFFFAOYSA-N -1 1 283.299 1.309 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC(C(F)F)CC2)n1 ZINC001592337558 1173858648 /nfs/dbraw/zinc/85/86/48/1173858648.db2.gz KJTFLTHICYXBDI-UHFFFAOYSA-N -1 1 295.297 1.447 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC(C(F)F)CC2)n1 ZINC001592337558 1173858653 /nfs/dbraw/zinc/85/86/53/1173858653.db2.gz KJTFLTHICYXBDI-UHFFFAOYSA-N -1 1 295.297 1.447 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC3(CCC3)[C@H]2C2CC2)n1 ZINC001592337629 1173860441 /nfs/dbraw/zinc/86/04/41/1173860441.db2.gz MESLLSJDYJUADP-CYBMUJFWSA-N -1 1 297.366 1.734 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC3(CCC3)[C@H]2C2CC2)n1 ZINC001592337629 1173860448 /nfs/dbraw/zinc/86/04/48/1173860448.db2.gz MESLLSJDYJUADP-CYBMUJFWSA-N -1 1 297.366 1.734 20 0 CDADMM Cc1nc(NC2CCC=CCC2)cc(-c2nnn[n-]2)n1 ZINC001592382436 1173876331 /nfs/dbraw/zinc/87/63/31/1173876331.db2.gz NMWYQEYQVGMDBK-UHFFFAOYSA-N -1 1 271.328 1.876 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@@H](C)C(C)C)c1-c1nnn[n-]1 ZINC001592442607 1173890965 /nfs/dbraw/zinc/89/09/65/1173890965.db2.gz MFIZOSNQXIRBKI-ZETCQYMHSA-N -1 1 277.332 1.139 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@@H](C)C(C)C)c1-c1nn[n-]n1 ZINC001592442607 1173890971 /nfs/dbraw/zinc/89/09/71/1173890971.db2.gz MFIZOSNQXIRBKI-ZETCQYMHSA-N -1 1 277.332 1.139 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC1(C)C ZINC001592496616 1173905932 /nfs/dbraw/zinc/90/59/32/1173905932.db2.gz HZTDLHZRQVGSHA-UHFFFAOYSA-N -1 1 261.285 1.393 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC1(C)C ZINC001592496616 1173905938 /nfs/dbraw/zinc/90/59/38/1173905938.db2.gz HZTDLHZRQVGSHA-UHFFFAOYSA-N -1 1 261.285 1.393 20 0 CDADMM Cc1oncc1CSc1cccnc1-c1nnn[n-]1 ZINC001592516859 1173911682 /nfs/dbraw/zinc/91/16/82/1173911682.db2.gz BOBBAJPBLBCYMA-UHFFFAOYSA-N -1 1 274.309 1.850 20 0 CDADMM Cc1oncc1CSc1cccnc1-c1nn[n-]n1 ZINC001592516859 1173911687 /nfs/dbraw/zinc/91/16/87/1173911687.db2.gz BOBBAJPBLBCYMA-UHFFFAOYSA-N -1 1 274.309 1.850 20 0 CDADMM Cn1nccc1[C@@H]1CCCN1c1cccnc1-c1nnn[n-]1 ZINC001592605961 1173926281 /nfs/dbraw/zinc/92/62/81/1173926281.db2.gz COHKOPOCWNUZKF-NSHDSACASA-N -1 1 296.338 1.337 20 0 CDADMM Cn1nccc1[C@@H]1CCCN1c1cccnc1-c1nn[n-]n1 ZINC001592605961 1173926285 /nfs/dbraw/zinc/92/62/85/1173926285.db2.gz COHKOPOCWNUZKF-NSHDSACASA-N -1 1 296.338 1.337 20 0 CDADMM FC1(F)CCC[C@@H](CNc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001592628444 1173935922 /nfs/dbraw/zinc/93/59/22/1173935922.db2.gz UGROWAOFWMASCA-MRVPVSSYSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(F)CCC[C@@H](CNc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001592628444 1173935926 /nfs/dbraw/zinc/93/59/26/1173935926.db2.gz UGROWAOFWMASCA-MRVPVSSYSA-N -1 1 295.297 1.894 20 0 CDADMM Fc1cccc(Oc2nnccc2-c2nnn[n-]2)c1 ZINC001592658838 1173957882 /nfs/dbraw/zinc/95/78/82/1173957882.db2.gz WEAXFKVYZJMJQU-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM Fc1cccc(Oc2nnccc2-c2nn[n-]n2)c1 ZINC001592658838 1173957888 /nfs/dbraw/zinc/95/78/88/1173957888.db2.gz WEAXFKVYZJMJQU-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM O=C(Cn1ccc(-c2nn[n-]n2)cc1=O)c1ccccc1F ZINC001592937406 1174007219 /nfs/dbraw/zinc/00/72/19/1174007219.db2.gz YYZSCIKUUJWRKI-UHFFFAOYSA-N -1 1 299.265 1.050 20 0 CDADMM O=C(N[C@H]1CC12CCCC2)c1coc(-c2nnn[n-]2)c1 ZINC001592966827 1174009501 /nfs/dbraw/zinc/00/95/01/1174009501.db2.gz JFJVDOKLBAYWET-JTQLQIEISA-N -1 1 273.296 1.522 20 0 CDADMM O=C(NCc1ccc(F)cc1)c1coc(-c2nnn[n-]2)c1 ZINC001593138089 1174023124 /nfs/dbraw/zinc/02/31/24/1174023124.db2.gz PONRTXWSOXVRPB-UHFFFAOYSA-N -1 1 287.254 1.529 20 0 CDADMM O=C(NCc1ccc(F)cc1)c1coc(-c2nn[n-]n2)c1 ZINC001593138089 1174023131 /nfs/dbraw/zinc/02/31/31/1174023131.db2.gz PONRTXWSOXVRPB-UHFFFAOYSA-N -1 1 287.254 1.529 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)C1CCCC1 ZINC001593133928 1174024937 /nfs/dbraw/zinc/02/49/37/1174024937.db2.gz VFTCOPFDWXEGNF-UHFFFAOYSA-N -1 1 277.353 1.735 20 0 CDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001593147557 1174027686 /nfs/dbraw/zinc/02/76/86/1174027686.db2.gz ZSVNTRWIRQCYBP-IJLUTSLNSA-N -1 1 298.350 1.314 20 0 CDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001593147557 1174027692 /nfs/dbraw/zinc/02/76/92/1174027692.db2.gz ZSVNTRWIRQCYBP-IJLUTSLNSA-N -1 1 298.350 1.314 20 0 CDADMM O=C(Nc1ccc(F)cc1F)c1coc(-c2nnn[n-]2)c1 ZINC001593231864 1174037482 /nfs/dbraw/zinc/03/74/82/1174037482.db2.gz VNOSGGOPEMSFKM-UHFFFAOYSA-N -1 1 291.217 1.990 20 0 CDADMM O=C(Nc1ccc(F)cc1F)c1coc(-c2nn[n-]n2)c1 ZINC001593231864 1174037486 /nfs/dbraw/zinc/03/74/86/1174037486.db2.gz VNOSGGOPEMSFKM-UHFFFAOYSA-N -1 1 291.217 1.990 20 0 CDADMM O=C(Nc1cccc(F)n1)c1ccc(-c2nnn[n-]2)o1 ZINC001593250298 1174040177 /nfs/dbraw/zinc/04/01/77/1174040177.db2.gz UIWVXHBIOIXHKV-UHFFFAOYSA-N -1 1 274.215 1.246 20 0 CDADMM O=C(Nc1cccc(F)n1)c1ccc(-c2nn[n-]n2)o1 ZINC001593250298 1174040184 /nfs/dbraw/zinc/04/01/84/1174040184.db2.gz UIWVXHBIOIXHKV-UHFFFAOYSA-N -1 1 274.215 1.246 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1Cc2ccc(F)cc21 ZINC001593259524 1174041783 /nfs/dbraw/zinc/04/17/83/1174041783.db2.gz BISRWNCBOSKETQ-SECBINFHSA-N -1 1 299.269 1.007 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CCSC1 ZINC001593267840 1174047099 /nfs/dbraw/zinc/04/70/99/1174047099.db2.gz KXUNYJIVOHYCII-RXMQYKEDSA-N -1 1 282.354 1.015 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CCSC1 ZINC001593267840 1174047106 /nfs/dbraw/zinc/04/71/06/1174047106.db2.gz KXUNYJIVOHYCII-RXMQYKEDSA-N -1 1 282.354 1.015 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CC[C@H]1C(F)(F)F ZINC001593359199 1174072340 /nfs/dbraw/zinc/07/23/40/1174072340.db2.gz XPZQNCINFNVUGL-QMMMGPOBSA-N -1 1 298.228 1.039 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CC[C@H]1C(F)(F)F ZINC001593359199 1174072348 /nfs/dbraw/zinc/07/23/48/1174072348.db2.gz XPZQNCINFNVUGL-QMMMGPOBSA-N -1 1 298.228 1.039 20 0 CDADMM O=C1[N-]C(=O)C(=Cc2cccc(-c3nn[nH]n3)c2)S1 ZINC001593400908 1174075730 /nfs/dbraw/zinc/07/57/30/1174075730.db2.gz ADOGAZBMVYANGG-YVMONPNESA-N -1 1 273.277 1.191 20 0 CDADMM O=C1[N-]C(=O)C(=Cc2cc(-c3nn[nH]n3)cs2)S1 ZINC001593401966 1174077359 /nfs/dbraw/zinc/07/73/59/1174077359.db2.gz UBALAIORFYGJJU-KXFIGUGUSA-N -1 1 279.306 1.252 20 0 CDADMM c1cc(-c2noc(-c3ccc(-c4nnn[n-]4)s3)n2)no1 ZINC001593552043 1174126036 /nfs/dbraw/zinc/12/60/36/1174126036.db2.gz YUCVGENEKWYCBZ-UHFFFAOYSA-N -1 1 287.264 1.633 20 0 CDADMM c1cc(-c2noc(-c3ccc(-c4nn[n-]n4)s3)n2)no1 ZINC001593552043 1174126039 /nfs/dbraw/zinc/12/60/39/1174126039.db2.gz YUCVGENEKWYCBZ-UHFFFAOYSA-N -1 1 287.264 1.633 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC001593552136 1174127161 /nfs/dbraw/zinc/12/71/61/1174127161.db2.gz WLCAGYILDBDNRF-ONGXEEELSA-N -1 1 287.327 1.026 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC001593552136 1174127164 /nfs/dbraw/zinc/12/71/64/1174127164.db2.gz WLCAGYILDBDNRF-ONGXEEELSA-N -1 1 287.327 1.026 20 0 CDADMM c1cn2cc(CNc3cccnc3-c3nn[n-]n3)nc2s1 ZINC001593585666 1174152033 /nfs/dbraw/zinc/15/20/33/1174152033.db2.gz YSPKRPWCMVYPJF-UHFFFAOYSA-N -1 1 298.335 1.583 20 0 CDADMM c1csc(CC2CN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001593589132 1174155052 /nfs/dbraw/zinc/15/50/52/1174155052.db2.gz PCPHPTUKNNJCRI-UHFFFAOYSA-N -1 1 299.363 1.397 20 0 CDADMM c1csc(CC2CN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001593589132 1174155054 /nfs/dbraw/zinc/15/50/54/1174155054.db2.gz PCPHPTUKNNJCRI-UHFFFAOYSA-N -1 1 299.363 1.397 20 0 CDADMM Cc1cc(C(=O)CN2CCC[C@@H]3C[C@@]32C(=O)[O-])c(C)n1C ZINC001600076628 1174353616 /nfs/dbraw/zinc/35/36/16/1174353616.db2.gz JWXHFCOXIAQRIX-WBMJQRKESA-N -1 1 290.363 1.764 20 0 CDADMM Cc1cc(C)cc(NC(=O)CN[C@H](C(=O)[O-])C2CC2)c1 ZINC001600174741 1174387256 /nfs/dbraw/zinc/38/72/56/1174387256.db2.gz SAOJRPAHIBPBRR-AWEZNQCLSA-N -1 1 276.336 1.695 20 0 CDADMM Cc1cc(N)nc(N2CCc3ccc(C(=O)[O-])nc3C2)n1 ZINC001600236896 1174418908 /nfs/dbraw/zinc/41/89/08/1174418908.db2.gz GBJFMYNCPIMBKW-UHFFFAOYSA-N -1 1 285.307 1.023 20 0 CDADMM Cc1ccc(S(=O)(=O)Nc2sccc2C(=O)[O-])cn1 ZINC001600483461 1174487701 /nfs/dbraw/zinc/48/77/01/1174487701.db2.gz LCXCHGPHLUYQBI-UHFFFAOYSA-N -1 1 298.345 1.951 20 0 CDADMM Cc1ccc2nc(CNc3ncncc3C(=O)[O-])[nH]c2c1 ZINC001600488443 1174488997 /nfs/dbraw/zinc/48/89/97/1174488997.db2.gz GWMYRRNYBPIMAA-UHFFFAOYSA-N -1 1 283.291 1.972 20 0 CDADMM Cc1ccoc1C[N@H+]1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001600608238 1174526707 /nfs/dbraw/zinc/52/67/07/1174526707.db2.gz OXAPGOIMNXREON-LOIXOFCESA-N -1 1 293.319 1.585 20 0 CDADMM Cc1cnc([C@@H](C)N2CCC([C@H](O)C(=O)[O-])CC2)cn1 ZINC001600618040 1174531319 /nfs/dbraw/zinc/53/13/19/1174531319.db2.gz CYOZAYVJHOJLIX-MFKMUULPSA-N -1 1 279.340 1.004 20 0 CDADMM Cc1nnc(CN2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)o1 ZINC001600796439 1174615811 /nfs/dbraw/zinc/61/58/11/1174615811.db2.gz ZFOKQHPYUBBJGT-QWHCGFSZSA-N -1 1 287.319 1.678 20 0 CDADMM Cc1oc(CN2CCC3(CNC(=O)O3)CC2)cc1C(=O)[O-] ZINC001600844583 1174639101 /nfs/dbraw/zinc/63/91/01/1174639101.db2.gz MTRGRYGPGINWEM-UHFFFAOYSA-N -1 1 294.307 1.361 20 0 CDADMM Cn1ccc([C@H](NC/C=C\c2ccc(F)cc2)C(=O)[O-])n1 ZINC001600974415 1174686214 /nfs/dbraw/zinc/68/62/14/1174686214.db2.gz DWTXCQAPPXAQQB-SFAKSCPVSA-N -1 1 289.310 1.988 20 0 CDADMM N=C1Nc2nc3ccccc3n2[C@@H](c2ccc(C(=O)[O-])o2)N1 ZINC001601178162 1174775524 /nfs/dbraw/zinc/77/55/24/1174775524.db2.gz JWJVWIZKFUVYQG-NSHDSACASA-N -1 1 297.274 1.824 20 0 CDADMM NCc1cc(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)co1 ZINC001601190774 1174784576 /nfs/dbraw/zinc/78/45/76/1174784576.db2.gz PCQYOCVRTAHJOI-ZDUSSCGKSA-N -1 1 294.351 1.749 20 0 CDADMM O=C([O-])c1ccccc1CCC(=O)OCc1nnc[nH]1 ZINC001601291858 1174825012 /nfs/dbraw/zinc/82/50/12/1174825012.db2.gz WPVGWWMHFPEVDF-UHFFFAOYSA-N -1 1 275.264 1.179 20 0 CDADMM O=C([O-])[C@@H](CC(F)F)NC(=O)c1cc(F)cc(F)c1O ZINC001601406685 1174859573 /nfs/dbraw/zinc/85/95/73/1174859573.db2.gz PVUNLUKDGHITEE-SSDOTTSWSA-N -1 1 295.188 1.509 20 0 CDADMM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cccc(F)c2O)C1 ZINC001601570628 1174901276 /nfs/dbraw/zinc/90/12/76/1174901276.db2.gz MVTYHICTIKPWJQ-SFYZADRCSA-N -1 1 267.256 1.514 20 0 CDADMM O=C([O-])[C@@]1(O)CCN(Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC001601723220 1174968553 /nfs/dbraw/zinc/96/85/53/1174968553.db2.gz DDVMVIDZNUJCOF-GXFFZTMASA-N -1 1 298.364 1.016 20 0 CDADMM O=C([O-])C12CC(C(=O)Nc3cnn(-c4ccncc4)c3)(C1)C2 ZINC001601729279 1174971969 /nfs/dbraw/zinc/97/19/69/1174971969.db2.gz AXUMUJCICQXIQP-UHFFFAOYSA-N -1 1 298.302 1.461 20 0 CDADMM O=C([O-])[C@@H]1CC(=O)N(CN2CC[C@@H](c3ccccc3)C2)C1 ZINC001601759517 1174994144 /nfs/dbraw/zinc/99/41/44/1174994144.db2.gz RHNAVUISGYRUGD-ZIAGYGMSSA-N -1 1 288.347 1.367 20 0 CDADMM O=C([O-])CC1(NCC(=O)c2ccccc2F)CC1 ZINC001601932508 1175071327 /nfs/dbraw/zinc/07/13/27/1175071327.db2.gz CRMAMORKQLQNOG-UHFFFAOYSA-N -1 1 251.257 1.605 20 0 CDADMM O=C([O-])C[C@@H]1CN(Cc2cccc3n[nH]cc32)CCO1 ZINC001601962131 1175087620 /nfs/dbraw/zinc/08/76/20/1175087620.db2.gz XZETZYQMJQLLEM-LLVKDONJSA-N -1 1 275.308 1.238 20 0 CDADMM O=C([O-])c1cc(CN2C[C@@H](O)C3(CC3)C2)n2c1CCCC2 ZINC001602256672 1175184682 /nfs/dbraw/zinc/18/46/82/1175184682.db2.gz NHCJXSJZUWYSCT-CQSZACIVSA-N -1 1 290.363 1.479 20 0 CDADMM O=C([O-])c1ccc(Cl)c(CN2CC[C@@H](O)C2)c1 ZINC001602358015 1175222584 /nfs/dbraw/zinc/22/25/84/1175222584.db2.gz OEFQHSRWBPIPKS-SNVBAGLBSA-N -1 1 255.701 1.605 20 0 CDADMM O=C([O-])c1ccc2c(c1)CC[N@H+](CCOC(F)F)C2 ZINC001602415903 1175233161 /nfs/dbraw/zinc/23/31/61/1175233161.db2.gz LTHDEXKHDZUJLP-UHFFFAOYSA-N -1 1 271.263 1.982 20 0 CDADMM O=C([O-])c1ccc2c(c1)CCN(CCOC(F)F)C2 ZINC001602415903 1175233167 /nfs/dbraw/zinc/23/31/67/1175233167.db2.gz LTHDEXKHDZUJLP-UHFFFAOYSA-N -1 1 271.263 1.982 20 0 CDADMM O=C([O-])c1cnc(N[C@H]2CCCc3cn[nH]c32)cn1 ZINC001602531689 1175275346 /nfs/dbraw/zinc/27/53/46/1175275346.db2.gz USVXJLXKOVPJQC-QMMMGPOBSA-N -1 1 259.269 1.387 20 0 CDADMM O=C([O-])c1coc(CN2CC3(C2)CCOCC3)c1 ZINC001602551180 1175291054 /nfs/dbraw/zinc/29/10/54/1175291054.db2.gz FFKOSEYJUYFBJJ-UHFFFAOYSA-N -1 1 251.282 1.590 20 0 CDADMM CC(C)(C)[C@@H](O)C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001603062216 1175484610 /nfs/dbraw/zinc/48/46/10/1175484610.db2.gz CJLVWUSWWLPYAW-VIFPVBQESA-N -1 1 296.352 1.378 20 0 CDADMM CC(C)(C)O[C@H]1C[C@H](Nc2ncncc2-c2nn[n-]n2)C1 ZINC001603104541 1175492015 /nfs/dbraw/zinc/49/20/15/1175492015.db2.gz LZGUNBJUSYCRCE-KYZUINATSA-N -1 1 289.343 1.415 20 0 CDADMM C[C@H](CNc1cccc(-c2nnn[n-]2)n1)CC(F)F ZINC001603556610 1175566627 /nfs/dbraw/zinc/56/66/27/1175566627.db2.gz ZWVJOLJIMXYMQF-ZETCQYMHSA-N -1 1 268.271 1.965 20 0 CDADMM C[C@H](CNc1cccc(-c2nn[n-]n2)n1)CC(F)F ZINC001603556610 1175566632 /nfs/dbraw/zinc/56/66/32/1175566632.db2.gz ZWVJOLJIMXYMQF-ZETCQYMHSA-N -1 1 268.271 1.965 20 0 CDADMM C[C@H](F)CCNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603599020 1175575827 /nfs/dbraw/zinc/57/58/27/1175575827.db2.gz OEDBCXRTWWFCPS-ZETCQYMHSA-N -1 1 279.279 1.131 20 0 CDADMM C[C@H](F)CCNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603599020 1175575834 /nfs/dbraw/zinc/57/58/34/1175575834.db2.gz OEDBCXRTWWFCPS-ZETCQYMHSA-N -1 1 279.279 1.131 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C1(C)CC1 ZINC001603640739 1175584709 /nfs/dbraw/zinc/58/47/09/1175584709.db2.gz GSIFHKKWZKULDC-MRVPVSSYSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C1(C)CC1 ZINC001603640739 1175584716 /nfs/dbraw/zinc/58/47/16/1175584716.db2.gz GSIFHKKWZKULDC-MRVPVSSYSA-N -1 1 272.312 1.180 20 0 CDADMM CC(C)(N)c1nocc1C(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001603668739 1175592183 /nfs/dbraw/zinc/59/21/83/1175592183.db2.gz JCINOPQEOMSYRW-SECBINFHSA-N -1 1 295.339 1.099 20 0 CDADMM CC(C)C[C@H](NC(=O)CN1CC2CCC1CC2)C(=O)[O-] ZINC001603775957 1175626592 /nfs/dbraw/zinc/62/65/92/1175626592.db2.gz LTPLXGABWUQUTI-BPCQOVAHSA-N -1 1 282.384 1.476 20 0 CDADMM C[C@@]1(COC(=O)c2sccc2-c2nn[n-]n2)C[C@@H]1F ZINC001603808085 1175640180 /nfs/dbraw/zinc/64/01/80/1175640180.db2.gz KPRIMPOWBYGAHX-CPCISQLKSA-N -1 1 282.300 1.833 20 0 CDADMM CC1(OC(=O)c2ccc(-c3nn[n-]n3)o2)CCCC1 ZINC001603820246 1175643297 /nfs/dbraw/zinc/64/32/97/1175643297.db2.gz KKPGMOKLIDBPRC-UHFFFAOYSA-N -1 1 262.269 1.949 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@H]1CC(C)=NO1 ZINC001603827727 1175647328 /nfs/dbraw/zinc/64/73/28/1175647328.db2.gz RNPTXKBJWMPLLA-MRVPVSSYSA-N -1 1 291.267 1.090 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@H]1CC(C)=NO1 ZINC001603827727 1175647332 /nfs/dbraw/zinc/64/73/32/1175647332.db2.gz RNPTXKBJWMPLLA-MRVPVSSYSA-N -1 1 291.267 1.090 20 0 CDADMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001603870591 1175662339 /nfs/dbraw/zinc/66/23/39/1175662339.db2.gz IZMSIGDABCSVNK-IMSYWVGJSA-N -1 1 271.328 1.361 20 0 CDADMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001603870591 1175662340 /nfs/dbraw/zinc/66/23/40/1175662340.db2.gz IZMSIGDABCSVNK-IMSYWVGJSA-N -1 1 271.328 1.361 20 0 CDADMM C[C@@H]1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001603882150 1175667391 /nfs/dbraw/zinc/66/73/91/1175667391.db2.gz PMWUIWRQTDXELC-GMTAPVOTSA-N -1 1 272.356 1.920 20 0 CDADMM 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CDADMM COC(=O)c1cnc(SCOC(=O)C(C)(C)C)[n-]1 ZINC000788504779 929543594 /nfs/dbraw/zinc/54/35/94/929543594.db2.gz HIOLYCXQJGODNS-UHFFFAOYSA-N -1 1 272.326 1.835 20 0 CDADMM COC(=O)c1c[n-]c(SCOC(=O)C(C)(C)C)n1 ZINC000788504779 929543600 /nfs/dbraw/zinc/54/36/00/929543600.db2.gz HIOLYCXQJGODNS-UHFFFAOYSA-N -1 1 272.326 1.835 20 0 CDADMM CCCCCC[C@@H](C)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000788634916 929570507 /nfs/dbraw/zinc/57/05/07/929570507.db2.gz JAWXQNHSYVJZPL-SECBINFHSA-N -1 1 297.355 1.985 20 0 CDADMM CCOC(CC(=O)Nc1n[n-]c(C(F)(F)F)n1)OCC ZINC000788634609 929570579 /nfs/dbraw/zinc/57/05/79/929570579.db2.gz FOUZWNSMSQOJFM-UHFFFAOYSA-N -1 1 296.249 1.551 20 0 CDADMM CCC[C@@H](NC(=O)c1ccc(Cl)nc1C)c1nn[n-]n1 ZINC000119616173 929598999 /nfs/dbraw/zinc/59/89/99/929598999.db2.gz ZATFSVVEDBEYCZ-SECBINFHSA-N -1 1 294.746 1.828 20 0 CDADMM CCC(=O)C1(C(=O)NCc2cc(=O)[n-]c(SC)n2)CC1 ZINC000880651606 929732041 /nfs/dbraw/zinc/73/20/41/929732041.db2.gz RZZQBPCZNJNRJY-UHFFFAOYSA-N -1 1 295.364 1.280 20 0 CDADMM COc1ccc(CCS(=O)(=O)[N-]CC(C)(F)F)cc1 ZINC000815066862 929932511 /nfs/dbraw/zinc/93/25/11/929932511.db2.gz HKDLORNRVYWLSF-UHFFFAOYSA-N -1 1 293.335 1.812 20 0 CDADMM C=C/C=C/CC[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1 ZINC000882584601 930042710 /nfs/dbraw/zinc/04/27/10/930042710.db2.gz PYRDCAXPKKYSJM-AATRIKPKSA-N -1 1 299.348 1.785 20 0 CDADMM Cn1cc(Cl)c([N-]S(=O)(=O)CCOCC2CC2)n1 ZINC000882796723 930080379 /nfs/dbraw/zinc/08/03/79/930080379.db2.gz QYFOULXRYUPJOV-UHFFFAOYSA-N -1 1 293.776 1.242 20 0 CDADMM Cc1cccn2cc(COC(=O)c3cn[n-]n3)nc12 ZINC000805603734 930154044 /nfs/dbraw/zinc/15/40/44/930154044.db2.gz TUTCZJWKEYBQCM-UHFFFAOYSA-N -1 1 257.253 1.118 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000816740648 930354682 /nfs/dbraw/zinc/35/46/82/930354682.db2.gz JZNAMUXCHDDRRX-ZETCQYMHSA-N -1 1 284.316 1.275 20 0 CDADMM CC(C)OCCO[N-]C(=O)[C@H](C)c1ccc2c(c1)OCO2 ZINC000816782185 930363205 /nfs/dbraw/zinc/36/32/05/930363205.db2.gz MVYYNPFGKPAEJK-LLVKDONJSA-N -1 1 295.335 1.992 20 0 CDADMM Fc1cc(F)c(-c2noc(-c3cn[n-]n3)n2)cc1F ZINC001212799450 930516555 /nfs/dbraw/zinc/51/65/55/930516555.db2.gz WPFFBTVLSQSAJB-UHFFFAOYSA-N -1 1 267.170 1.939 20 0 CDADMM O=S(=O)([N-]CC1CC(F)(F)C1)c1ccns1 ZINC000885199249 930691226 /nfs/dbraw/zinc/69/12/26/930691226.db2.gz QTCJJBFJQBHDIM-UHFFFAOYSA-N -1 1 268.310 1.467 20 0 CDADMM Cc1cccnc1CCC[N-]S(=O)(=O)c1ccns1 ZINC000885218264 930693113 /nfs/dbraw/zinc/69/31/13/930693113.db2.gz SIONMFANGNAWDM-UHFFFAOYSA-N -1 1 297.405 1.758 20 0 CDADMM O=S(=O)([N-][C@H]1CCC[C@@H]2C[C@@H]21)c1ccns1 ZINC000885236564 930694534 /nfs/dbraw/zinc/69/45/34/930694534.db2.gz DPULABFCTXDGFM-VGMNWLOBSA-N -1 1 258.368 1.610 20 0 CDADMM CC(C)(C[N-]S(=O)(=O)c1ccns1)OCC1CC1 ZINC000885241467 930695182 /nfs/dbraw/zinc/69/51/82/930695182.db2.gz JUSSHAHQSYINLN-UHFFFAOYSA-N -1 1 290.410 1.627 20 0 CDADMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1ccns1 ZINC000885324171 930703683 /nfs/dbraw/zinc/70/36/83/930703683.db2.gz 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ZINC000821014567 930997292 /nfs/dbraw/zinc/99/72/92/930997292.db2.gz JKMNDARBBTVYKE-MRVPVSSYSA-N -1 1 275.312 1.947 20 0 CDADMM c1c[nH]c([C@@H]2CCCCN2c2cccc(-c3nnn[n-]3)n2)n1 ZINC000826514353 931005960 /nfs/dbraw/zinc/00/59/60/931005960.db2.gz OVEKFLSLVHZEIN-NSHDSACASA-N -1 1 296.338 1.716 20 0 CDADMM c1c[nH]c([C@@H]2CCCCN2c2cccc(-c3nn[n-]n3)n2)n1 ZINC000826514353 931005968 /nfs/dbraw/zinc/00/59/68/931005968.db2.gz OVEKFLSLVHZEIN-NSHDSACASA-N -1 1 296.338 1.716 20 0 CDADMM CCOC(=O)CCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821330551 931031346 /nfs/dbraw/zinc/03/13/46/931031346.db2.gz NDBRLNYNGNXXEF-UHFFFAOYSA-N -1 1 296.308 1.038 20 0 CDADMM CCOC(=O)CCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821330551 931031353 /nfs/dbraw/zinc/03/13/53/931031353.db2.gz NDBRLNYNGNXXEF-UHFFFAOYSA-N -1 1 296.308 1.038 20 0 CDADMM CN1C(=O)C2(CCOCC2)N[C@H]1c1cc(F)c([O-])c(F)c1 ZINC000887334341 931061031 /nfs/dbraw/zinc/06/10/31/931061031.db2.gz NHBNLJDLLUESRW-GFCCVEGCSA-N -1 1 298.289 1.280 20 0 CDADMM Cc1ncc(NC(=O)c2cnc3cccnc3c2[O-])nc1C ZINC001153852069 937476609 /nfs/dbraw/zinc/47/66/09/937476609.db2.gz VLNURUGPJOSUFM-UHFFFAOYSA-N -1 1 295.302 1.582 20 0 CDADMM O=C(NCCn1cccc1)c1c[n-]c2cccnc2c1=O ZINC001153859884 937477657 /nfs/dbraw/zinc/47/76/57/937477657.db2.gz ACNHLBWJABMCDQ-UHFFFAOYSA-N -1 1 282.303 1.155 20 0 CDADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cnn2c1CCC2 ZINC001154049914 937496839 /nfs/dbraw/zinc/49/68/39/937496839.db2.gz YCEXCCQSGDBDDF-UHFFFAOYSA-N -1 1 286.217 1.219 20 0 CDADMM C[C@@H](N(C)c1ccc(-c2nnn[n-]2)nn1)C1(C)CC1 ZINC000824465118 931451016 /nfs/dbraw/zinc/45/10/16/931451016.db2.gz LRGOZICQBDMWQP-MRVPVSSYSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@@H](N(C)c1ccc(-c2nn[n-]n2)nn1)C1(C)CC1 ZINC000824465118 931451021 /nfs/dbraw/zinc/45/10/21/931451021.db2.gz LRGOZICQBDMWQP-MRVPVSSYSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@H](C[C@H](C)O)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000824698393 931477376 /nfs/dbraw/zinc/47/73/76/931477376.db2.gz KRKADQNANHDCLF-UHNVWZDZSA-N -1 1 288.764 1.548 20 0 CDADMM C[C@H](C[C@H](C)O)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000824698393 931477381 /nfs/dbraw/zinc/47/73/81/931477381.db2.gz KRKADQNANHDCLF-UHNVWZDZSA-N -1 1 288.764 1.548 20 0 CDADMM Cc1c(=O)[nH]c2ccccc2c1C(=O)Nc1nnn[n-]1 ZINC001136946760 931482997 /nfs/dbraw/zinc/48/29/97/931482997.db2.gz LRDCKQOHYOPLJA-UHFFFAOYSA-N -1 1 270.252 1.014 20 0 CDADMM Cc1c(=O)[nH]c2ccccc2c1C(=O)Nc1nn[n-]n1 ZINC001136946760 931482998 /nfs/dbraw/zinc/48/29/98/931482998.db2.gz LRDCKQOHYOPLJA-UHFFFAOYSA-N -1 1 270.252 1.014 20 0 CDADMM C[C@@H]1C[C@H](NC(=O)c2c([O-])cccc2Cl)CO1 ZINC000844104781 931543680 /nfs/dbraw/zinc/54/36/80/931543680.db2.gz FUHLHWDAUFRTLX-SFYZADRCSA-N -1 1 255.701 1.953 20 0 CDADMM O=C([O-])CCCC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000844245035 931566530 /nfs/dbraw/zinc/56/65/30/931566530.db2.gz GHLFCEAZGJMLFQ-SECBINFHSA-N -1 1 251.286 1.158 20 0 CDADMM Cn1ccnc1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001299418369 931639117 /nfs/dbraw/zinc/63/91/17/931639117.db2.gz FAWHWBWMCVPKOA-UHFFFAOYSA-N -1 1 265.700 1.960 20 0 CDADMM CC(C)C[C@@H](O)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001144181789 931683627 /nfs/dbraw/zinc/68/36/27/931683627.db2.gz KMZVWEXFTNXDNK-CYBMUJFWSA-N -1 1 289.335 1.923 20 0 CDADMM Cc1[n-][nH]c2ncnc(=NC(=O)[C@H](C)Oc3ccccc3)c1-2 ZINC001144491605 931854256 /nfs/dbraw/zinc/85/42/56/931854256.db2.gz UNUGIKZRCXXQAO-JTQLQIEISA-N -1 1 297.318 1.441 20 0 CDADMM O=S1CC2(CN(Cc3c(F)cc([O-])cc3F)C2)C1 ZINC001144545074 931882891 /nfs/dbraw/zinc/88/28/91/931882891.db2.gz RGTSINHETUPIGD-UHFFFAOYSA-N -1 1 273.304 1.235 20 0 CDADMM [O-]c1cc(F)c(CN2C[C@@H](F)C[C@H]2CO)c(F)c1 ZINC001144541413 931888671 /nfs/dbraw/zinc/88/86/71/931888671.db2.gz FGROUQCCMVOPRP-YUMQZZPRSA-N -1 1 261.243 1.575 20 0 CDADMM COC(=O)[C@@H](C)N(C)Cc1c(F)cc([O-])cc1F ZINC001144554959 931896987 /nfs/dbraw/zinc/89/69/87/931896987.db2.gz OIIFBGICFFHIMU-SSDOTTSWSA-N -1 1 259.252 1.664 20 0 CDADMM Cc1cnc(CNC[C@@H](C(=O)[O-])c2ccccc2)o1 ZINC000231652455 931901171 /nfs/dbraw/zinc/90/11/71/931901171.db2.gz 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1.175 20 0 CDADMM CCCCOC[C@@H](C)Oc1n[n-]c(C(=O)OC)n1 ZINC001228311703 942296388 /nfs/dbraw/zinc/29/63/88/942296388.db2.gz NOAVAKWZBMNIBD-MRVPVSSYSA-N -1 1 257.290 1.175 20 0 CDADMM CCC(=O)c1c(O)cc([O-])cc1OC1CN(CC)C1 ZINC001228560903 942335984 /nfs/dbraw/zinc/33/59/84/942335984.db2.gz VPVKWCPTGOIQNY-UHFFFAOYSA-N -1 1 265.309 1.773 20 0 CDADMM CC(C)Oc1cc(COc2cnnc(=S)[n-]2)ccn1 ZINC001228637154 942344966 /nfs/dbraw/zinc/34/49/66/942344966.db2.gz TYBJRCPLAFWHJU-UHFFFAOYSA-N -1 1 278.337 1.922 20 0 CDADMM O=C1[N-]C(=O)[C@@H](Cc2ccc(OC[C@H]3CCO3)cc2)S1 ZINC001229615766 942498888 /nfs/dbraw/zinc/49/88/88/942498888.db2.gz DXJKJTDQANGJDA-VXGBXAGGSA-N -1 1 293.344 1.748 20 0 CDADMM COc1c(O[C@H]2CCO[C@@H](C)C2)nc(C)[n-]c1=O ZINC001230026181 942572730 /nfs/dbraw/zinc/57/27/30/942572730.db2.gz OYKYSRQWXRXTBB-CBAPKCEASA-N -1 1 254.286 1.446 20 0 CDADMM O=C([O-])c1ccc(CN2CC[C@H](F)[C@@H](O)C2)s1 ZINC001231461460 942903411 /nfs/dbraw/zinc/90/34/11/942903411.db2.gz IVWVEJCTQCYCOV-IUCAKERBSA-N -1 1 259.302 1.351 20 0 CDADMM COC(=O)CN1CCN(Cc2ccc(Cl)c([O-])c2)CC1 ZINC001231734004 942990423 /nfs/dbraw/zinc/99/04/23/942990423.db2.gz NLQQLRPRZOLTDO-UHFFFAOYSA-N -1 1 298.770 1.336 20 0 CDADMM COC[C@@H]1CN(Cc2ccc(Cl)c([O-])c2)CCO1 ZINC001231737949 942992780 /nfs/dbraw/zinc/99/27/80/942992780.db2.gz ZDKAOQMYTDNBNO-NSHDSACASA-N -1 1 271.744 1.893 20 0 CDADMM O=C([O-])COc1ccccc1CN1CC[N@H+]2CC[C@H]1C2 ZINC001231794389 943019546 /nfs/dbraw/zinc/01/95/46/943019546.db2.gz ALPOQPSNKPXPRJ-ZDUSSCGKSA-N -1 1 276.336 1.040 20 0 CDADMM COC(=O)c1nc[n-]c(=O)c1O[C@@H](C)c1ccncc1 ZINC001233756520 943649517 /nfs/dbraw/zinc/64/95/17/943649517.db2.gz OPTIELBLFHKUPP-QMMMGPOBSA-N -1 1 275.264 1.504 20 0 CDADMM COc1ccc([C@@H](C)Oc2c(C(N)=O)nc[n-]c2=O)cc1 ZINC001234469107 943856133 /nfs/dbraw/zinc/85/61/33/943856133.db2.gz VMWTVAXUZKTDHA-MRVPVSSYSA-N -1 1 289.291 1.430 20 0 CDADMM Cc1nc(C(N)=O)c(O[C@H](C)c2cccs2)c(=O)[n-]1 ZINC001234472697 943856839 /nfs/dbraw/zinc/85/68/39/943856839.db2.gz XUDQZCZPQMPGFL-ZCFIWIBFSA-N -1 1 279.321 1.791 20 0 CDADMM CCC1CCC(Oc2c(C(N)=O)nc(C)[n-]c2=O)CC1 ZINC001234479386 943861851 /nfs/dbraw/zinc/86/18/51/943861851.db2.gz ZMNHCHKMAWIHKJ-UHFFFAOYSA-N -1 1 279.340 1.937 20 0 CDADMM COC(=O)c1nc(C)[n-]c(=O)c1OC[C@@H]1CCC=CO1 ZINC001234556523 943891955 /nfs/dbraw/zinc/89/19/55/943891955.db2.gz BTRJEEROYLUMFS-VIFPVBQESA-N -1 1 280.280 1.349 20 0 CDADMM CC[C@H](COC)Oc1c(=O)[n-]c(C)nc1C(=O)OC ZINC001234564701 943896665 /nfs/dbraw/zinc/89/66/65/943896665.db2.gz NZNXXIITEIGBTJ-MRVPVSSYSA-N -1 1 270.285 1.081 20 0 CDADMM CC[C@H](C)[C@@H](C)C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001263886256 944020021 /nfs/dbraw/zinc/02/00/21/944020021.db2.gz CZTFGJWLJUZTHK-IVZWLZJFSA-N -1 1 251.334 1.198 20 0 CDADMM O=C([O-])CCCCN1CCN(c2cccc(F)n2)CC1 ZINC001601987659 971112971 /nfs/dbraw/zinc/11/29/71/971112971.db2.gz HTXZJEILDZCFEG-UHFFFAOYSA-N -1 1 281.331 1.598 20 0 CDADMM O=S(=O)(Cc1ccc(F)cc1)[N-]c1ncccc1CO ZINC001259248075 945514616 /nfs/dbraw/zinc/51/46/16/945514616.db2.gz FFNJKUQCKUXGLB-UHFFFAOYSA-N -1 1 296.323 1.655 20 0 CDADMM O=S(=O)([N-]c1cc(F)ccc1OC1COC1)C1CC1 ZINC001259276406 945531108 /nfs/dbraw/zinc/53/11/08/945531108.db2.gz IPGBVKHPFXWFEG-UHFFFAOYSA-N -1 1 287.312 1.507 20 0 CDADMM O=S(=O)([N-]CC1(O)CC1)c1cc(Cl)ccc1F ZINC001259452795 945575285 /nfs/dbraw/zinc/57/52/85/945575285.db2.gz WUASKOJXZIRUNE-UHFFFAOYSA-N -1 1 279.720 1.282 20 0 CDADMM C[C@@H](CO)CC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001259461007 945575737 /nfs/dbraw/zinc/57/57/37/945575737.db2.gz CTXMZTMRRNJDHH-MRVPVSSYSA-N -1 1 295.763 1.776 20 0 CDADMM O=S(=O)([N-]CC1(F)COC1)c1cccc(Cl)c1F ZINC001259471627 945576775 /nfs/dbraw/zinc/57/67/75/945576775.db2.gz JQQQBXASSXIQBM-UHFFFAOYSA-N -1 1 297.710 1.496 20 0 CDADMM COC(=O)c1ccncc1[N-]S(=O)(=O)CC(C)C ZINC001259877935 945673778 /nfs/dbraw/zinc/67/37/78/945673778.db2.gz BVOQCWJIZBUNCG-UHFFFAOYSA-N -1 1 272.326 1.266 20 0 CDADMM CC(C)CS(=O)(=O)[N-]c1cc([C@H](C)O)ccn1 ZINC001259879652 945676241 /nfs/dbraw/zinc/67/62/41/945676241.db2.gz OODJHXMBYAWLHD-VIFPVBQESA-N -1 1 258.343 1.533 20 0 CDADMM Cc1nn(C)c(C)c1-c1nc(C)cc2c1C(=O)[N-]C2=O ZINC001240141588 945686602 /nfs/dbraw/zinc/68/66/02/945686602.db2.gz OLTRKGXDSGGTKR-UHFFFAOYSA-N -1 1 270.292 1.291 20 0 CDADMM O=S(=O)([N-]Cc1ccccc1Cl)C(F)F ZINC001259949238 945735312 /nfs/dbraw/zinc/73/53/12/945735312.db2.gz CEGLCFIYKXTUQA-UHFFFAOYSA-N -1 1 255.673 1.982 20 0 CDADMM CSc1cc([N-]S(=O)(=O)C(F)F)n(C)n1 ZINC001259951159 945738916 /nfs/dbraw/zinc/73/89/16/945738916.db2.gz OWMHGGVLYULTIU-UHFFFAOYSA-N -1 1 257.287 1.106 20 0 CDADMM Cc1cccn2cc(C[N-]S(=O)(=O)C(F)F)nc12 ZINC001259962553 945754368 /nfs/dbraw/zinc/75/43/68/945754368.db2.gz KUQCJOXSYFYTKO-UHFFFAOYSA-N -1 1 275.280 1.285 20 0 CDADMM CC(C)([N-]S(=O)(=O)C(F)F)c1ccncc1 ZINC001259962431 945754819 /nfs/dbraw/zinc/75/48/19/945754819.db2.gz JPPWCEBZRKHDRG-UHFFFAOYSA-N -1 1 250.270 1.459 20 0 CDADMM O=S(=O)([N-]Cc1cccc2cnccc21)C(F)F ZINC001259963995 945757310 /nfs/dbraw/zinc/75/73/10/945757310.db2.gz WJKBRPAMYWKCSF-UHFFFAOYSA-N -1 1 272.276 1.877 20 0 CDADMM COc1ccc2c(c1)[C@H]([N-]S(=O)(=O)C(F)F)CCO2 ZINC001259963027 945757705 /nfs/dbraw/zinc/75/77/05/945757705.db2.gz ZQPFBNXOPFXDAX-SECBINFHSA-N -1 1 293.291 1.661 20 0 CDADMM COCCS(=O)(=O)[N-]c1cccnc1-c1ccccn1 ZINC001259966471 945761939 /nfs/dbraw/zinc/76/19/39/945761939.db2.gz FJKHBKKRGITRSU-UHFFFAOYSA-N -1 1 293.348 1.532 20 0 CDADMM Cc1cnn(C)c1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260184066 945805174 /nfs/dbraw/zinc/80/51/74/945805174.db2.gz QKNZMBLTFHXOSS-UHFFFAOYSA-N -1 1 295.320 1.228 20 0 CDADMM CC[C@H](C)S(=O)(=O)[N-]c1cn2ccccc2n1 ZINC001260727418 945870567 /nfs/dbraw/zinc/87/05/67/945870567.db2.gz SHUFOLJHEMCIJI-VIFPVBQESA-N -1 1 253.327 1.875 20 0 CDADMM c1nn(CC2CC2)cc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001240514948 945901318 /nfs/dbraw/zinc/90/13/18/945901318.db2.gz QNZFNNZFVGPSFI-UHFFFAOYSA-N -1 1 267.296 1.535 20 0 CDADMM c1nn(CC2CC2)cc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001240514948 945901323 /nfs/dbraw/zinc/90/13/23/945901323.db2.gz QNZFNNZFVGPSFI-UHFFFAOYSA-N -1 1 267.296 1.535 20 0 CDADMM Cc1cc2c(c(-c3cc(F)ccc3[O-])n1)C(=O)NC2=O ZINC001240696073 945994668 /nfs/dbraw/zinc/99/46/68/945994668.db2.gz YWMKXXIJKZTSEZ-UHFFFAOYSA-N -1 1 272.235 1.785 20 0 CDADMM CCNC(=O)c1ccc(-c2c(F)ccc([O-])c2F)nn1 ZINC001241289775 946207077 /nfs/dbraw/zinc/20/70/77/946207077.db2.gz DGCPIOKKZAIHEX-UHFFFAOYSA-N -1 1 279.246 1.877 20 0 CDADMM O=C1COc2nc(-c3c(F)ccc([O-])c3F)ncc2N1 ZINC001241291231 946209875 /nfs/dbraw/zinc/20/98/75/946209875.db2.gz KWJHFLRAWSBOGI-UHFFFAOYSA-N -1 1 279.202 1.458 20 0 CDADMM C[S@](=O)c1ccccc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001241341049 946230163 /nfs/dbraw/zinc/23/01/63/946230163.db2.gz ILZSKFMPBQMGTD-FQEVSTJZSA-N -1 1 285.332 1.666 20 0 CDADMM C[S@](=O)c1ccccc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001241341049 946230177 /nfs/dbraw/zinc/23/01/77/946230177.db2.gz ILZSKFMPBQMGTD-FQEVSTJZSA-N -1 1 285.332 1.666 20 0 CDADMM O=C([O-])Cc1cccc(-c2nc(F)nc3nc[nH]c32)c1 ZINC001242259942 946642542 /nfs/dbraw/zinc/64/25/42/946642542.db2.gz JKSLWIQRSUYMES-UHFFFAOYSA-N -1 1 272.239 1.738 20 0 CDADMM COc1ccc(C(=O)[O-])cc1-c1nc2nc[nH]c2c(C)n1 ZINC001242386931 946700760 /nfs/dbraw/zinc/70/07/60/946700760.db2.gz COYJVQYYIJVKOD-UHFFFAOYSA-N -1 1 284.275 1.987 20 0 CDADMM Cc1cc2c(c(-c3cnc(C)c(N)c3)n1)C(=O)[N-]C2=O ZINC001242406239 946717647 /nfs/dbraw/zinc/71/76/47/946717647.db2.gz DOUOVTPOHAOVMP-UHFFFAOYSA-N -1 1 268.276 1.226 20 0 CDADMM CCC(C)(C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825039780 947056534 /nfs/dbraw/zinc/05/65/34/947056534.db2.gz WECWWNWJOIHTAS-UHFFFAOYSA-N -1 1 275.312 1.947 20 0 CDADMM NS(=O)(=O)c1ccc(-c2ccc(Cl)c([O-])c2)nn1 ZINC001243578477 947147072 /nfs/dbraw/zinc/14/70/72/947147072.db2.gz GPMBVHCZCKQGRT-UHFFFAOYSA-N -1 1 285.712 1.150 20 0 CDADMM C[C@@H]1OCC[C@@]12CN(C(=O)c1ccc([O-])cn1)C[C@@H](C)O2 ZINC001362495302 971338848 /nfs/dbraw/zinc/33/88/48/971338848.db2.gz VCHKCVDCZBLYCW-JRPNMDOOSA-N -1 1 292.335 1.196 20 0 CDADMM NC(=O)c1cnc(-c2ccc(OC(F)(F)F)cc2[O-])cn1 ZINC001244463980 947397049 /nfs/dbraw/zinc/39/70/49/947397049.db2.gz MGWVNSQSQJWFTF-UHFFFAOYSA-N -1 1 299.208 1.847 20 0 CDADMM NS(=O)(=O)c1ccnc(-c2cc(Cl)ccc2[O-])c1 ZINC001245050598 947540482 /nfs/dbraw/zinc/54/04/82/947540482.db2.gz WCCQHIIMICHQIP-UHFFFAOYSA-N -1 1 284.724 1.755 20 0 CDADMM CCc1ccc(S(=O)(=O)[N-]c2ccnc(CO)c2)cc1 ZINC001255028888 947699827 /nfs/dbraw/zinc/69/98/27/947699827.db2.gz MEKYGYVRRUHQBW-UHFFFAOYSA-N -1 1 292.360 1.937 20 0 CDADMM O=c1cc(C2CC2)[nH]n1-c1cccc(S(=O)(=O)[O-])c1 ZINC001245910850 947844064 /nfs/dbraw/zinc/84/40/64/947844064.db2.gz NPOVNNORFMLXIA-UHFFFAOYSA-N -1 1 280.305 1.702 20 0 CDADMM Cc1ncc(CO)c(-c2nnc(C3CCOCC3)o2)c1[O-] ZINC001255644695 948050389 /nfs/dbraw/zinc/05/03/89/948050389.db2.gz XMYARCAEFBSDOU-UHFFFAOYSA-N -1 1 291.307 1.532 20 0 CDADMM Cc1cc(C)c(NC(=O)CCCc2nn[n-]n2)cc1O ZINC001362615833 971458598 /nfs/dbraw/zinc/45/85/98/971458598.db2.gz DKMQMHNETYKBNI-UHFFFAOYSA-N -1 1 275.312 1.484 20 0 CDADMM CC(C)(O)[C@H](F)C[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001256118621 948210735 /nfs/dbraw/zinc/21/07/35/948210735.db2.gz PCOCRIBJCRJJJX-SNVBAGLBSA-N -1 1 297.298 1.352 20 0 CDADMM Cc1ccc(C(N)=O)c(NC(=O)c2cncc([O-])c2)c1 ZINC001362625063 971469723 /nfs/dbraw/zinc/46/97/23/971469723.db2.gz YPODQAWAUZXLFP-UHFFFAOYSA-N -1 1 271.276 1.447 20 0 CDADMM C[C@@H]1C[C@H]1c1nnc(-c2cc(S(=O)(=O)[O-])ccc2O)o1 ZINC001256623222 948368792 /nfs/dbraw/zinc/36/87/92/948368792.db2.gz CQHQEZDGAIGQFY-HTRCEHHLSA-N -1 1 296.304 1.812 20 0 CDADMM C[C@@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573729131 948566349 /nfs/dbraw/zinc/56/63/49/948566349.db2.gz HFRBNCWHJLYOON-VIFPVBQESA-N -1 1 288.355 1.560 20 0 CDADMM C[C@@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573729131 948566354 /nfs/dbraw/zinc/56/63/54/948566354.db2.gz HFRBNCWHJLYOON-VIFPVBQESA-N -1 1 288.355 1.560 20 0 CDADMM Cc1ccc(-c2noc(Cc3nnn[n-]3)n2)cc1Cl ZINC001247139240 948597024 /nfs/dbraw/zinc/59/70/24/948597024.db2.gz 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Cc1ccc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cn1 ZINC000618488039 349470270 /nfs/dbraw/zinc/47/02/70/349470270.db2.gz KGJUNXVKOUXQNI-ZDUSSCGKSA-N -1 1 294.318 1.423 20 0 CDADMM Cc1ccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c(F)c1 ZINC000124687580 187148824 /nfs/dbraw/zinc/14/88/24/187148824.db2.gz FZZNBTAKXXEYOJ-VIFPVBQESA-N -1 1 277.303 1.523 20 0 CDADMM O=C(N=c1[n-]sc2ccccc21)N1CC[C@](F)(CO)C1 ZINC000640337333 361740136 /nfs/dbraw/zinc/74/01/36/361740136.db2.gz DUPCVEWWKKYLHV-CYBMUJFWSA-N -1 1 295.339 1.656 20 0 CDADMM C[C@H](NC(=O)N=c1[n-]sc2ccccc21)C(=O)N(C)C ZINC000640338291 361767190 /nfs/dbraw/zinc/76/71/90/361767190.db2.gz BAKGVSREJXSLRY-QMMMGPOBSA-N -1 1 292.364 1.316 20 0 CDADMM O=C([O-])[C@H]1CCN(C(=O)c2ccc(F)cc2O)C1 ZINC000236436984 342054220 /nfs/dbraw/zinc/05/42/20/342054220.db2.gz QTAMUSXRBFBTOG-ZETCQYMHSA-N -1 1 253.229 1.078 20 0 CDADMM CCOC(=O)c1cnc(NC(=O)C2CCC(OC)CC2)[n-]1 ZINC000591302331 342624557 /nfs/dbraw/zinc/62/45/57/342624557.db2.gz CIERZHSOVFOEBR-UHFFFAOYSA-N -1 1 295.339 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CN1CCOC[C@@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350614606 316187993 /nfs/dbraw/zinc/18/79/93/316187993.db2.gz VNBDWLNDIIAVJQ-SNVBAGLBSA-N -1 1 279.271 1.584 20 0 CDADMM O=C(NC1(c2nn[n-]n2)CC1)[C@@H]1CC12CCCCC2 ZINC000563582208 316333842 /nfs/dbraw/zinc/33/38/42/316333842.db2.gz PNYGZGFGQWWYFL-VIFPVBQESA-N -1 1 261.329 1.275 20 0 CDADMM C1CC1c1n[n-]c(=N[C@@H]2CCCC[C@@H]2N2CCOCC2)o1 ZINC000566905714 316700705 /nfs/dbraw/zinc/70/07/05/316700705.db2.gz DAZGPYQYPAOMCZ-OLZOCXBDSA-N -1 1 292.383 1.424 20 0 CDADMM O=C(c1ncccc1[O-])N1CC[C@@H](c2cccnc2)C1 ZINC000569931019 316878180 /nfs/dbraw/zinc/87/81/80/316878180.db2.gz RXWMPWXPEZECGM-GFCCVEGCSA-N -1 1 269.304 1.812 20 0 CDADMM Cc1ccc(NC(=O)CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000577279735 317300700 /nfs/dbraw/zinc/30/07/00/317300700.db2.gz HSUHNIRNPSTATE-OCCSQVGLSA-N -1 1 290.363 1.976 20 0 CDADMM CCC1(C)CCN(S(=O)(=O)c2c(C)o[n-]c2=N)CC1 ZINC000577326586 317306723 /nfs/dbraw/zinc/30/67/23/317306723.db2.gz UECZRVXHYRMFBF-UHFFFAOYSA-N -1 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XNTGJMMWLQEOSO-MFKMUULPSA-N -1 1 298.350 1.666 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]2CCC[C@@H]21 ZINC000738259915 576054037 /nfs/dbraw/zinc/05/40/37/576054037.db2.gz XNTGJMMWLQEOSO-MFKMUULPSA-N -1 1 298.350 1.666 20 0 CDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NC[C@@H]1CCCO1 ZINC000738437650 576074931 /nfs/dbraw/zinc/07/49/31/576074931.db2.gz SBFWYZLIEBCIRY-VIFPVBQESA-N -1 1 297.322 1.401 20 0 CDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NC[C@@H]1CCCO1 ZINC000738437650 576074935 /nfs/dbraw/zinc/07/49/35/576074935.db2.gz SBFWYZLIEBCIRY-VIFPVBQESA-N -1 1 297.322 1.401 20 0 CDADMM Cc1oc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)cc1C(=O)[O-] ZINC000738977356 576144456 /nfs/dbraw/zinc/14/44/56/576144456.db2.gz CUBGVPXCWJHLFL-GHMZBOCLSA-N -1 1 296.367 1.173 20 0 CDADMM NC(=O)[C@H](c1ccccc1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000739149891 576171939 /nfs/dbraw/zinc/17/19/39/576171939.db2.gz XMFAOPGILVZPAS-OLZOCXBDSA-N -1 1 288.347 1.400 20 0 CDADMM O=C(NC1CCC2(CC1)OCCO2)c1ccc([O-])c(F)c1 ZINC000767297408 576176987 /nfs/dbraw/zinc/17/69/87/576176987.db2.gz HVFFWABOTVIRBB-UHFFFAOYSA-N -1 1 295.310 1.947 20 0 CDADMM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1cccc(Cl)c1O ZINC000739553025 576252443 /nfs/dbraw/zinc/25/24/43/576252443.db2.gz LKRWWSHNMHWQJY-RITPCOANSA-N -1 1 255.657 1.705 20 0 CDADMM CC(C)C[C@@H](O)CNC(=O)c1ccc([O-])c(F)c1 ZINC000768280997 576268230 /nfs/dbraw/zinc/26/82/30/576268230.db2.gz PQECBYCXUDOCHX-SNVBAGLBSA-N -1 1 255.289 1.668 20 0 CDADMM O=C([O-])C[C@@H]1CCCCN1Cc1cc(=O)c(O)co1 ZINC000739640217 576271173 /nfs/dbraw/zinc/27/11/73/576271173.db2.gz VSXLNCYPFIKJEM-VIFPVBQESA-N -1 1 267.281 1.175 20 0 CDADMM CN(C)c1ccc(NC(=O)c2ccccc2[O-])c(C(N)=O)c1 ZINC000769298209 576343389 /nfs/dbraw/zinc/34/33/89/576343389.db2.gz ZZARJCMVNCHSIX-UHFFFAOYSA-N -1 1 299.330 1.809 20 0 CDADMM CCCCNC(=S)NN=c1nc(OC)cc(C)[n-]1 ZINC000747654893 576879074 /nfs/dbraw/zinc/87/90/74/576879074.db2.gz SMCXDNSWMKQTIH-UHFFFAOYSA-N -1 1 269.374 1.385 20 0 CDADMM CNc1cc(C(=O)Nc2ccncc2[O-])cc(Cl)n1 ZINC000747974763 576890846 /nfs/dbraw/zinc/89/08/46/576890846.db2.gz OTSQSHCSNXKLDR-UHFFFAOYSA-N -1 1 278.699 1.552 20 0 CDADMM O=C(Nc1ccncc1[O-])c1ccc(-n2cccn2)nc1 ZINC000748312150 576904890 /nfs/dbraw/zinc/90/48/90/576904890.db2.gz IKIHJTZAYFWESP-UHFFFAOYSA-N -1 1 281.275 1.042 20 0 CDADMM O=C(CCOC[C@H]1CCCO1)[N-]O[C@@H]1CCCCO1 ZINC000749620301 576956011 /nfs/dbraw/zinc/95/60/11/576956011.db2.gz PZAIMRYGKGAPQM-DGCLKSJQSA-N -1 1 273.329 1.147 20 0 CDADMM CC(C)c1ccccc1OCCC(=O)NCc1nn[n-]n1 ZINC000751956680 577078418 /nfs/dbraw/zinc/07/84/18/577078418.db2.gz BZKFJEXVWPLPPR-UHFFFAOYSA-N -1 1 289.339 1.408 20 0 CDADMM CC(C)(C)N1C[C@H]([N-]C(=O)C(F)(F)F)CC1=O ZINC000752676872 577118687 /nfs/dbraw/zinc/11/86/87/577118687.db2.gz CSKOZUDJWDGKQT-ZCFIWIBFSA-N -1 1 252.236 1.064 20 0 CDADMM O=C([C@H]1CC1(Cl)Cl)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000752913428 577133857 /nfs/dbraw/zinc/13/38/57/577133857.db2.gz NDUDIVRGUJSGRR-NKWVEPMBSA-N -1 1 290.154 1.100 20 0 CDADMM O=C([N-]OCC(F)F)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000759334627 577169846 /nfs/dbraw/zinc/16/98/46/577169846.db2.gz NFPKMOFMUKTFMK-NSHDSACASA-N -1 1 298.289 1.348 20 0 CDADMM O=C([O-])CCCCC(=O)Nc1ccc2cncn2c1 ZINC001601982362 1175097487 /nfs/dbraw/zinc/09/74/87/1175097487.db2.gz UYNGLGQXVMDXLV-UHFFFAOYSA-N -1 1 261.281 1.918 20 0 CDADMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H](C)CO ZINC000095154946 598971893 /nfs/dbraw/zinc/97/18/93/598971893.db2.gz SRYNNVCPESFCOL-RNFRBKRXSA-N -1 1 282.735 1.344 20 0 CDADMM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H](C)CO ZINC000095154946 598971895 /nfs/dbraw/zinc/97/18/95/598971895.db2.gz SRYNNVCPESFCOL-RNFRBKRXSA-N -1 1 282.735 1.344 20 0 CDADMM C[C@H](CC(=O)[O-])C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000827310980 602184687 /nfs/dbraw/zinc/18/46/87/602184687.db2.gz NWLAYAVCSYKPPB-SECBINFHSA-N -1 1 282.315 1.937 20 0 CDADMM O=C([O-])CCNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000819498816 596920166 /nfs/dbraw/zinc/92/01/66/596920166.db2.gz DBEQUEWXVYDPHN-UHFFFAOYSA-N -1 1 278.091 1.904 20 0 CDADMM COc1ccc(C)cc1NC(=O)CN(C)CCC(=O)[O-] ZINC000037932736 597001304 /nfs/dbraw/zinc/00/13/04/597001304.db2.gz HUEIBBNXYYHGQC-UHFFFAOYSA-N -1 1 280.324 1.349 20 0 CDADMM O=C1NCc2ccc(NCc3ccc(-c4nnn[n-]4)o3)cc21 ZINC000823548100 607315534 /nfs/dbraw/zinc/31/55/34/607315534.db2.gz SVURTTDCGQRNEL-UHFFFAOYSA-N -1 1 296.290 1.315 20 0 CDADMM O=C1NCc2ccc(NCc3ccc(-c4nn[n-]n4)o3)cc21 ZINC000823548100 607315535 /nfs/dbraw/zinc/31/55/35/607315535.db2.gz SVURTTDCGQRNEL-UHFFFAOYSA-N -1 1 296.290 1.315 20 0 CDADMM CCSc1ccc([C@@H](C)NCC(=O)NCC(=O)[O-])cc1 ZINC000820405756 597808751 /nfs/dbraw/zinc/80/87/51/597808751.db2.gz VBHFVIXIRALFMG-SNVBAGLBSA-N -1 1 296.392 1.650 20 0 CDADMM CCC(CC)n1ccc(Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC000820902450 607326229 /nfs/dbraw/zinc/32/62/29/607326229.db2.gz LFZBYGJBZLKHDD-UHFFFAOYSA-N -1 1 287.331 1.064 20 0 CDADMM Cc1nc(Cl)sc1S(=O)(=O)[N-][C@@H](C)CCO ZINC000123618536 1175252066 /nfs/dbraw/zinc/25/20/66/1175252066.db2.gz XHSIHCKTKADEOI-YFKPBYRVSA-N -1 1 284.790 1.154 20 0 CDADMM c1ccc2c(c1)CCN(c1nccnc1-c1nnn[n-]1)C2 ZINC000095169558 598333653 /nfs/dbraw/zinc/33/36/53/598333653.db2.gz XLJRGHSVVRZNQK-UHFFFAOYSA-N -1 1 279.307 1.219 20 0 CDADMM c1ccc2c(c1)CCN(c1nccnc1-c1nn[n-]n1)C2 ZINC000095169558 598333654 /nfs/dbraw/zinc/33/36/54/598333654.db2.gz XLJRGHSVVRZNQK-UHFFFAOYSA-N -1 1 279.307 1.219 20 0 CDADMM Cc1ccc(CNc2nccnc2-c2nnn[n-]2)s1 ZINC000095324802 598345095 /nfs/dbraw/zinc/34/50/95/598345095.db2.gz XTZNTQCVDAKDFT-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1ccc(CNc2nccnc2-c2nn[n-]n2)s1 ZINC000095324802 598345097 /nfs/dbraw/zinc/34/50/97/598345097.db2.gz XTZNTQCVDAKDFT-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM O=C([O-])c1ccoc1CN1CCOC2(CCOCC2)CC1 ZINC001602486080 1175259911 /nfs/dbraw/zinc/25/99/11/1175259911.db2.gz ODLWGTGRHCYGFD-UHFFFAOYSA-N -1 1 295.335 1.749 20 0 CDADMM Cc1csc(CNCc2ccc(-c3nnn[n-]3)o2)n1 ZINC000822414772 599402816 /nfs/dbraw/zinc/40/28/16/599402816.db2.gz TVDIJZZUZMJAPI-UHFFFAOYSA-N -1 1 276.325 1.514 20 0 CDADMM Cc1csc(CNCc2ccc(-c3nn[n-]n3)o2)n1 ZINC000822414772 599402817 /nfs/dbraw/zinc/40/28/17/599402817.db2.gz TVDIJZZUZMJAPI-UHFFFAOYSA-N -1 1 276.325 1.514 20 0 CDADMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)CC(C)(C)O1 ZINC000095255856 599417595 /nfs/dbraw/zinc/41/75/95/599417595.db2.gz VPCDSZLOKBHDTH-VIFPVBQESA-N -1 1 274.328 1.265 20 0 CDADMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)CC(C)(C)O1 ZINC000095255856 599417596 /nfs/dbraw/zinc/41/75/96/599417596.db2.gz VPCDSZLOKBHDTH-VIFPVBQESA-N -1 1 274.328 1.265 20 0 CDADMM CC[C@]1(C)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825165018 608426095 /nfs/dbraw/zinc/42/60/95/608426095.db2.gz PZNMSNCNTCAOFC-CYBMUJFWSA-N -1 1 273.344 1.673 20 0 CDADMM CC[C@]1(C)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000825165018 608426097 /nfs/dbraw/zinc/42/60/97/608426097.db2.gz PZNMSNCNTCAOFC-CYBMUJFWSA-N -1 1 273.344 1.673 20 0 CDADMM CN(CC1CCOCC1)c1cccc(-c2nnn[n-]2)n1 ZINC000095294151 608439456 /nfs/dbraw/zinc/43/94/56/608439456.db2.gz MQVLXMHKFLXCKZ-UHFFFAOYSA-N -1 1 274.328 1.125 20 0 CDADMM CN(CC1CCOCC1)c1cccc(-c2nn[n-]n2)n1 ZINC000095294151 608439458 /nfs/dbraw/zinc/43/94/58/608439458.db2.gz MQVLXMHKFLXCKZ-UHFFFAOYSA-N -1 1 274.328 1.125 20 0 CDADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)nn1C ZINC000826270455 607414155 /nfs/dbraw/zinc/41/41/55/607414155.db2.gz AXGNQCPNBKJMDQ-UHFFFAOYSA-N -1 1 289.324 1.222 20 0 CDADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)nn1C ZINC000826270455 607414156 /nfs/dbraw/zinc/41/41/56/607414156.db2.gz AXGNQCPNBKJMDQ-UHFFFAOYSA-N -1 1 289.324 1.222 20 0 CDADMM CCC[C@@](C)(NCC(=O)Nc1cccc(OC)c1)C(=O)[O-] ZINC000036808235 600152446 /nfs/dbraw/zinc/15/24/46/600152446.db2.gz ABEGYKOBVFLEIM-OAHLLOKOSA-N -1 1 294.351 1.867 20 0 CDADMM Cc1[nH]ncc1C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000080039948 600489731 /nfs/dbraw/zinc/48/97/31/600489731.db2.gz VTSFXURRMCUAQR-LBPRGKRZSA-N -1 1 287.275 1.211 20 0 CDADMM Cc1noc(C)c1CN(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000071740336 600511456 /nfs/dbraw/zinc/51/14/56/600511456.db2.gz YFDDHFSSPYVUPL-LBPRGKRZSA-N -1 1 282.340 1.747 20 0 CDADMM CCC[C@@H]1CC(=O)N(CN2CCC(CC(=O)[O-])CC2)C1 ZINC000829256844 600712144 /nfs/dbraw/zinc/71/21/44/600712144.db2.gz ULLRKTIHRFPIJH-CYBMUJFWSA-N -1 1 282.384 1.779 20 0 CDADMM CN(CC(=O)N(C)c1ccccc1C(=O)[O-])CC(C)(C)O ZINC000830661011 600830345 /nfs/dbraw/zinc/83/03/45/600830345.db2.gz MRLSSKDVRNPLBR-UHFFFAOYSA-N -1 1 294.351 1.050 20 0 CDADMM CCc1cc(CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)n[nH]1 ZINC000779428550 600948067 /nfs/dbraw/zinc/94/80/67/600948067.db2.gz NSSAEMGBIBKBRS-VHSXEESVSA-N -1 1 279.340 1.479 20 0 CDADMM CC(C)[C@@H]1CN(C)CCN1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000826741526 600964977 /nfs/dbraw/zinc/96/49/77/600964977.db2.gz FNICOEQDFLILBO-RDBSUJKOSA-N -1 1 296.411 1.676 20 0 CDADMM O=C([O-])[C@@H](c1ccccc1F)N1CCN(CC2CC2)CC1 ZINC000833174973 600990437 /nfs/dbraw/zinc/99/04/37/600990437.db2.gz ZZVNUNRSZSOGNB-OAHLLOKOSA-N -1 1 292.354 1.979 20 0 CDADMM NC(=O)[C@H](c1ccccc1)N1CCC[C@H](C(=O)[O-])C1 ZINC000739148044 601034443 /nfs/dbraw/zinc/03/44/43/601034443.db2.gz IEHYIUMYNOCUKG-RYUDHWBXSA-N -1 1 262.309 1.010 20 0 CDADMM CC[C@](NC(=O)[C@H](C)N(C)C)(C(=O)[O-])c1ccccc1 ZINC000828957880 601137067 /nfs/dbraw/zinc/13/70/67/601137067.db2.gz FLZNQIJIIGDMND-XHDPSFHLSA-N -1 1 278.352 1.443 20 0 CDADMM C[C@@H](C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)N(C)C ZINC000832803712 601137248 /nfs/dbraw/zinc/13/72/48/601137248.db2.gz SRHAPGBDTADJBZ-NSHDSACASA-N -1 1 294.351 1.819 20 0 CDADMM COC(=O)/C(C)=C\CN1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000831052763 601154190 /nfs/dbraw/zinc/15/41/90/601154190.db2.gz AJXGLLDEPYRJPI-SMJHDNPOSA-N -1 1 289.331 1.617 20 0 CDADMM CO[C@H](C)c1noc(CN(CCC(=O)[O-])CC(C)C)n1 ZINC000831505483 601305000 /nfs/dbraw/zinc/30/50/00/601305000.db2.gz QERJQLLXJOXWAO-SNVBAGLBSA-N -1 1 285.344 1.710 20 0 CDADMM CO[C@H]1CCN(Cn2nc(C(=O)[O-])c3ccccc32)C1 ZINC000831847577 601373328 /nfs/dbraw/zinc/37/33/28/601373328.db2.gz PWVNSSRJVMGRQQ-JTQLQIEISA-N -1 1 275.308 1.413 20 0 CDADMM COc1ccc(OCCN2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000832444685 601439013 /nfs/dbraw/zinc/43/90/13/601439013.db2.gz UZGQNTINKZYDAP-AWEZNQCLSA-N -1 1 283.299 1.573 20 0 CDADMM O=C([O-])C[C@@H]1CN(CCCCCn2cccn2)CCO1 ZINC000833220024 601572572 /nfs/dbraw/zinc/57/25/72/601572572.db2.gz PIWVMYVWWZHOON-CYBMUJFWSA-N -1 1 281.356 1.229 20 0 CDADMM C[C@H](O)CN1CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000827802231 601631511 /nfs/dbraw/zinc/63/15/11/601631511.db2.gz FCHOORIEARDGPX-NSHDSACASA-N -1 1 296.342 1.022 20 0 CDADMM Cc1nc(CN(C)[C@@H](C(=O)[O-])c2ccccc2)n[nH]1 ZINC000832991153 601658970 /nfs/dbraw/zinc/65/89/70/601658970.db2.gz KNMHKIPIRPPIIM-GFCCVEGCSA-N -1 1 260.297 1.371 20 0 CDADMM Cc1cc(CC(=O)Nc2cc(C)[nH]c2C(=O)[O-])n[nH]1 ZINC000832883445 601680883 /nfs/dbraw/zinc/68/08/83/601680883.db2.gz MVEWVBARSKUKKU-UHFFFAOYSA-N -1 1 262.269 1.234 20 0 CDADMM CN1CCC[C@@H]1C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000830934734 601745822 /nfs/dbraw/zinc/74/58/22/601745822.db2.gz JFYAUPFATKYOGT-NEPJUHHUSA-N -1 1 280.299 1.162 20 0 CDADMM Cc1ccc([S@](=O)Cc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826292998 607528417 /nfs/dbraw/zinc/52/84/17/607528417.db2.gz WMKAGMFUMGTVQR-OAQYLSRUSA-N -1 1 299.359 1.878 20 0 CDADMM Cc1ccc([S@](=O)Cc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826292998 607528419 /nfs/dbraw/zinc/52/84/19/607528419.db2.gz WMKAGMFUMGTVQR-OAQYLSRUSA-N -1 1 299.359 1.878 20 0 CDADMM CC(C)[C@@H](C)NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C ZINC000826680984 601870349 /nfs/dbraw/zinc/87/03/49/601870349.db2.gz LLYVWDAQQYZKQZ-KOLCDFICSA-N -1 1 258.362 1.236 20 0 CDADMM C[C@]1(C(=O)[O-])CCN(Cc2nnc(-c3ccco3)o2)C1 ZINC000062936532 601942935 /nfs/dbraw/zinc/94/29/35/601942935.db2.gz JGUCZZOURMKCEO-ZDUSSCGKSA-N -1 1 277.280 1.626 20 0 CDADMM CCCCOC(=O)[C@H](C)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000829401149 601948615 /nfs/dbraw/zinc/94/86/15/601948615.db2.gz DJEYHFRAMFAHGX-GXFFZTMASA-N -1 1 257.330 1.515 20 0 CDADMM Cc1cc(CC(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])[nH]n1 ZINC000832883265 602050819 /nfs/dbraw/zinc/05/08/19/602050819.db2.gz JOBRBTBVMBLYHO-CHWSQXEVSA-N -1 1 293.367 1.800 20 0 CDADMM C[C@H](CC(=O)[O-])C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000827304076 602158576 /nfs/dbraw/zinc/15/85/76/602158576.db2.gz OOWZJVYKKJTQHC-SSDOTTSWSA-N -1 1 295.726 1.943 20 0 CDADMM COc1cccc(-c2cc(C(=O)N(C)CC(=O)[O-])n[nH]2)c1 ZINC000818620873 602183015 /nfs/dbraw/zinc/18/30/15/602183015.db2.gz UFRJXSYXSXTNLX-UHFFFAOYSA-N -1 1 289.291 1.242 20 0 CDADMM CC[C@](C)(CC(=O)[O-])NCc1nc([C@H](C)OC)no1 ZINC000828671873 602220517 /nfs/dbraw/zinc/22/05/17/602220517.db2.gz HVKHXMVDSYOZJR-QPUJVOFHSA-N -1 1 271.317 1.510 20 0 CDADMM CCN(CC)[C@@H](C(=O)N[C@H](C)C(=O)[O-])c1ccccc1 ZINC000237041216 602248806 /nfs/dbraw/zinc/24/88/06/602248806.db2.gz JWEIKMWLOBZWDZ-DGCLKSJQSA-N -1 1 278.352 1.659 20 0 CDADMM CN(Cc1nnc[nH]1)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000828426329 603647735 /nfs/dbraw/zinc/64/77/35/603647735.db2.gz AGXCDAHTCCUAOF-UHFFFAOYSA-N -1 1 293.258 1.306 20 0 CDADMM C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000820244247 604577478 /nfs/dbraw/zinc/57/74/78/604577478.db2.gz AAMCDDYLOSIQEI-WDEREUQCSA-N -1 1 276.336 1.549 20 0 CDADMM CCC[C@H](C(=O)Nc1cncc(C(=O)[O-])c1)N(C)C ZINC000833648063 604733287 /nfs/dbraw/zinc/73/32/87/604733287.db2.gz OQXGBMCMYMOABE-LLVKDONJSA-N -1 1 265.313 1.449 20 0 CDADMM CC(C)(C)n1cc(CN2CCC([C@@H](O)C(=O)[O-])CC2)cn1 ZINC000833453243 604764207 /nfs/dbraw/zinc/76/42/07/604764207.db2.gz ZVZSOISLIDJDKR-CYBMUJFWSA-N -1 1 295.383 1.296 20 0 CDADMM CO[C@@H](C)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833718578 604869921 /nfs/dbraw/zinc/86/99/21/604869921.db2.gz NCOKUGXYYNLNLM-LURJTMIESA-N -1 1 263.253 1.235 20 0 CDADMM C[C@H]1CC(=O)NCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000707295843 604931026 /nfs/dbraw/zinc/93/10/26/604931026.db2.gz FXPPFYJRSBHAEZ-JTQLQIEISA-N -1 1 262.309 1.095 20 0 CDADMM CCc1nc(NC(=O)c2ncccc2O)sc1C(=O)[O-] ZINC000833674878 605009051 /nfs/dbraw/zinc/00/90/51/605009051.db2.gz GJYFSYKZDHFBRB-UHFFFAOYSA-N -1 1 293.304 1.757 20 0 CDADMM CCC[C@@H](C(=O)Nc1cccc(OCC(=O)[O-])c1)N(C)C ZINC000833647546 605039638 /nfs/dbraw/zinc/03/96/38/605039638.db2.gz GSQGNBPUVFPAND-ZDUSSCGKSA-N -1 1 294.351 1.819 20 0 CDADMM CC(C)N1CC[C@@H](NCc2ccoc2C(=O)[O-])C1=O ZINC000708565705 605100290 /nfs/dbraw/zinc/10/02/90/605100290.db2.gz BIPBZNVWEHBHTO-SNVBAGLBSA-N -1 1 266.297 1.077 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000833625628 605115315 /nfs/dbraw/zinc/11/53/15/605115315.db2.gz WXTPGWQLAOEDDS-RTXFEEFZSA-N -1 1 280.368 1.040 20 0 CDADMM CC(C)CC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC000833473428 605253040 /nfs/dbraw/zinc/25/30/40/605253040.db2.gz KKRWEBLGBVZPKQ-LLVKDONJSA-N -1 1 256.346 1.040 20 0 CDADMM C[C@H]1CN(C(=O)CC2CCCCC2)CCN1CCC(=O)[O-] ZINC000833620859 605254286 /nfs/dbraw/zinc/25/42/86/605254286.db2.gz YGLMSWJLHKALRS-ZDUSSCGKSA-N -1 1 296.411 1.964 20 0 CDADMM CCO[C@@H]1C[C@H](NCc2ccc(C(=O)[O-])o2)[C@@H]1OC ZINC000833662311 605749929 /nfs/dbraw/zinc/74/99/29/605749929.db2.gz ZUHKUKGWMLLQHR-WCQGTBRESA-N -1 1 269.297 1.260 20 0 CDADMM OC1(CNc2snc(Cl)c2-c2nnn[n-]2)CCC1 ZINC000095123808 606031537 /nfs/dbraw/zinc/03/15/37/606031537.db2.gz XDFCAOUWUCDYKI-UHFFFAOYSA-N -1 1 286.748 1.304 20 0 CDADMM OC1(CNc2snc(Cl)c2-c2nn[n-]n2)CCC1 ZINC000095123808 606031543 /nfs/dbraw/zinc/03/15/43/606031543.db2.gz XDFCAOUWUCDYKI-UHFFFAOYSA-N -1 1 286.748 1.304 20 0 CDADMM CCN(CC(C)C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821170806 606168156 /nfs/dbraw/zinc/16/81/56/606168156.db2.gz WYVVEOVKGVNYDY-UHFFFAOYSA-N -1 1 292.347 1.110 20 0 CDADMM CCN(CC(C)C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821170806 606168158 /nfs/dbraw/zinc/16/81/58/606168158.db2.gz WYVVEOVKGVNYDY-UHFFFAOYSA-N -1 1 292.347 1.110 20 0 CDADMM CC[C@@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820979382 606169235 /nfs/dbraw/zinc/16/92/35/606169235.db2.gz HJMMUWZINJWQAR-MRVPVSSYSA-N -1 1 290.331 1.007 20 0 CDADMM CC[C@@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820979382 606169237 /nfs/dbraw/zinc/16/92/37/606169237.db2.gz HJMMUWZINJWQAR-MRVPVSSYSA-N -1 1 290.331 1.007 20 0 CDADMM O=C(NCc1ccsc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823266552 606511297 /nfs/dbraw/zinc/51/12/97/606511297.db2.gz YIMCLROYJJQJTC-UHFFFAOYSA-N -1 1 291.361 1.920 20 0 CDADMM O=C(NCc1ccsc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823266552 606511299 /nfs/dbraw/zinc/51/12/99/606511299.db2.gz YIMCLROYJJQJTC-UHFFFAOYSA-N -1 1 291.361 1.920 20 0 CDADMM Cc1[nH]nc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1C ZINC000822419989 606549663 /nfs/dbraw/zinc/54/96/63/606549663.db2.gz YENHRNFDDJOEEE-UHFFFAOYSA-N -1 1 289.324 1.520 20 0 CDADMM Cc1[nH]nc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1C ZINC000822419989 606549665 /nfs/dbraw/zinc/54/96/65/606549665.db2.gz YENHRNFDDJOEEE-UHFFFAOYSA-N -1 1 289.324 1.520 20 0 CDADMM C[C@@H](N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1)C1(C)CC1 ZINC000820307595 606552264 /nfs/dbraw/zinc/55/22/64/606552264.db2.gz OPFARFARTIHUHG-SECBINFHSA-N -1 1 286.339 1.522 20 0 CDADMM C[C@@H](N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1)C1(C)CC1 ZINC000820307595 606552266 /nfs/dbraw/zinc/55/22/66/606552266.db2.gz OPFARFARTIHUHG-SECBINFHSA-N -1 1 286.339 1.522 20 0 CDADMM CC(C)(C)/C=C/C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000819906313 606651669 /nfs/dbraw/zinc/65/16/69/606651669.db2.gz DTNKDCNXATYCHD-GQCTYLIASA-N -1 1 287.323 1.907 20 0 CDADMM CC(C)(C)/C=C/C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000819906313 606651670 /nfs/dbraw/zinc/65/16/70/606651670.db2.gz DTNKDCNXATYCHD-GQCTYLIASA-N -1 1 287.323 1.907 20 0 CDADMM C[C@@H]1CC[C@@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])O1 ZINC000820674537 606967474 /nfs/dbraw/zinc/96/74/74/606967474.db2.gz DTSGGTHDRXXYKW-HQJQHLMTSA-N -1 1 289.295 1.078 20 0 CDADMM C[C@H]1OCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H]1C ZINC000820821410 607066679 /nfs/dbraw/zinc/06/66/79/607066679.db2.gz SSZHFEAEYNVRGH-HTQZYQBOSA-N -1 1 293.352 1.178 20 0 CDADMM C[C@H]1OCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)[C@@H]1C ZINC000820821410 607066680 /nfs/dbraw/zinc/06/66/80/607066680.db2.gz SSZHFEAEYNVRGH-HTQZYQBOSA-N -1 1 293.352 1.178 20 0 CDADMM CC1(C)CCC(C(=O)n2ncc(-c3nn[n-]n3)c2N)CC1 ZINC000820590015 607194070 /nfs/dbraw/zinc/19/40/70/607194070.db2.gz OYAGOWVFPWFUBU-UHFFFAOYSA-N -1 1 289.343 1.502 20 0 CDADMM COC(=O)/C(C)=C\COc1cccc(F)c1-c1nnn[n-]1 ZINC000826098655 607864488 /nfs/dbraw/zinc/86/44/88/607864488.db2.gz KXZFCHATBZPIHM-VURMDHGXSA-N -1 1 292.270 1.504 20 0 CDADMM COC(=O)/C(C)=C\COc1cccc(F)c1-c1nn[n-]n1 ZINC000826098655 607864489 /nfs/dbraw/zinc/86/44/89/607864489.db2.gz KXZFCHATBZPIHM-VURMDHGXSA-N -1 1 292.270 1.504 20 0 CDADMM OCCOc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826510368 607899528 /nfs/dbraw/zinc/89/95/28/607899528.db2.gz MYWWVKXJKNCWML-UHFFFAOYSA-N -1 1 298.306 1.376 20 0 CDADMM OCCOc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826510368 607899529 /nfs/dbraw/zinc/89/95/29/607899529.db2.gz MYWWVKXJKNCWML-UHFFFAOYSA-N -1 1 298.306 1.376 20 0 CDADMM Cc1ccccc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826307527 607987744 /nfs/dbraw/zinc/98/77/44/607987744.db2.gz LVWQCVOJRZKAJK-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1ccccc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826307527 607987745 /nfs/dbraw/zinc/98/77/45/607987745.db2.gz LVWQCVOJRZKAJK-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM C[C@H](CO)N(C)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000824440874 608123378 /nfs/dbraw/zinc/12/33/78/608123378.db2.gz KFYFLMDNSOLRPS-SECBINFHSA-N -1 1 284.323 1.232 20 0 CDADMM C[C@H](CO)N(C)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000824440874 608123379 /nfs/dbraw/zinc/12/33/79/608123379.db2.gz KFYFLMDNSOLRPS-SECBINFHSA-N -1 1 284.323 1.232 20 0 CDADMM C[C@H](O)[C@H](C)Sc1snc(Cl)c1-c1nnn[n-]1 ZINC000824678520 608187043 /nfs/dbraw/zinc/18/70/43/608187043.db2.gz NHARQWLJNIEPHZ-IMJSIDKUSA-N -1 1 291.789 1.838 20 0 CDADMM C[C@H](O)[C@H](C)Sc1snc(Cl)c1-c1nn[n-]n1 ZINC000824678520 608187045 /nfs/dbraw/zinc/18/70/45/608187045.db2.gz NHARQWLJNIEPHZ-IMJSIDKUSA-N -1 1 291.789 1.838 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCCC(F)(F)F ZINC000826395170 608200406 /nfs/dbraw/zinc/20/04/06/608200406.db2.gz PJHPHYULHBZTTD-UHFFFAOYSA-N -1 1 289.221 1.018 20 0 CDADMM CC(C)[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000824215292 608228057 /nfs/dbraw/zinc/22/80/57/608228057.db2.gz KAOBDODJIHFLFV-LLVKDONJSA-N -1 1 273.344 1.672 20 0 CDADMM CC(C)[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000824215292 608228058 /nfs/dbraw/zinc/22/80/58/608228058.db2.gz KAOBDODJIHFLFV-LLVKDONJSA-N -1 1 273.344 1.672 20 0 CDADMM CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825191382 608245894 /nfs/dbraw/zinc/24/58/94/608245894.db2.gz BAECGMFXVMDCHQ-MWLCHTKSSA-N -1 1 286.339 1.665 20 0 CDADMM CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825191382 608245896 /nfs/dbraw/zinc/24/58/96/608245896.db2.gz BAECGMFXVMDCHQ-MWLCHTKSSA-N -1 1 286.339 1.665 20 0 CDADMM C[C@H](c1ccc(F)cc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824764068 608393088 /nfs/dbraw/zinc/39/30/88/608393088.db2.gz SCFUBBWQNFRFAA-SECBINFHSA-N -1 1 299.313 1.993 20 0 CDADMM C[C@H](c1ccc(F)cc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824764068 608393090 /nfs/dbraw/zinc/39/30/90/608393090.db2.gz SCFUBBWQNFRFAA-SECBINFHSA-N -1 1 299.313 1.993 20 0 CDADMM Fc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1F ZINC000826374860 608404937 /nfs/dbraw/zinc/40/49/37/608404937.db2.gz OWHWMGWAPLLVAO-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM Fc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1F ZINC000826374860 608404939 /nfs/dbraw/zinc/40/49/39/608404939.db2.gz OWHWMGWAPLLVAO-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM Fc1cc(F)cc(Oc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826373041 608408578 /nfs/dbraw/zinc/40/85/78/608408578.db2.gz XNSMKFUTVZCJTK-UHFFFAOYSA-N -1 1 276.206 1.727 20 0 CDADMM Fc1cc(F)cc(Oc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826373041 608408579 /nfs/dbraw/zinc/40/85/79/608408579.db2.gz XNSMKFUTVZCJTK-UHFFFAOYSA-N -1 1 276.206 1.727 20 0 CDADMM c1c[nH]c([C@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)n1 ZINC000826512145 608429748 /nfs/dbraw/zinc/42/97/48/608429748.db2.gz PZWXEKMLHOIURM-SNVBAGLBSA-N -1 1 297.326 1.111 20 0 CDADMM c1c[nH]c([C@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)n1 ZINC000826512145 608429750 /nfs/dbraw/zinc/42/97/50/608429750.db2.gz PZWXEKMLHOIURM-SNVBAGLBSA-N -1 1 297.326 1.111 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NCC1(C2CC2)CCC1 ZINC000826514734 608436203 /nfs/dbraw/zinc/43/62/03/608436203.db2.gz BDDOWAJCLZTTJB-UHFFFAOYSA-N -1 1 271.328 1.649 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NCC1(C2CC2)CCC1 ZINC000826514734 608436204 /nfs/dbraw/zinc/43/62/04/608436204.db2.gz BDDOWAJCLZTTJB-UHFFFAOYSA-N -1 1 271.328 1.649 20 0 CDADMM CC(C)n1cc(NCc2ccc(-c3nnn[n-]3)o2)cn1 ZINC000824371929 608564619 /nfs/dbraw/zinc/56/46/19/608564619.db2.gz ZFOGGXXLXBYGDW-UHFFFAOYSA-N -1 1 273.300 1.849 20 0 CDADMM CC(C)n1cc(NCc2ccc(-c3nn[n-]n3)o2)cn1 ZINC000824371929 608564620 /nfs/dbraw/zinc/56/46/20/608564620.db2.gz ZFOGGXXLXBYGDW-UHFFFAOYSA-N -1 1 273.300 1.849 20 0 CDADMM CC[C@H](C)n1nc(Nc2nccnc2-c2nnn[n-]2)cc1C ZINC000825081530 608587312 /nfs/dbraw/zinc/58/73/12/608587312.db2.gz KVIGTOYYFJBMQV-QMMMGPOBSA-N -1 1 299.342 1.876 20 0 CDADMM CC[C@H](C)n1nc(Nc2nccnc2-c2nn[n-]n2)cc1C ZINC000825081530 608587313 /nfs/dbraw/zinc/58/73/13/608587313.db2.gz KVIGTOYYFJBMQV-QMMMGPOBSA-N -1 1 299.342 1.876 20 0 CDADMM Clc1cnc(Cn2cnc(-c3nn[n-]n3)n2)c(Cl)c1 ZINC000826354287 609174838 /nfs/dbraw/zinc/17/48/38/609174838.db2.gz WUSDFTHRGZMDRF-UHFFFAOYSA-N -1 1 297.109 1.208 20 0 CDADMM COc1ccccc1CCCn1ccnc1-c1nnn[n-]1 ZINC000826219591 609517973 /nfs/dbraw/zinc/51/79/73/609517973.db2.gz IVXHGVZIYOSVMW-UHFFFAOYSA-N -1 1 284.323 1.705 20 0 CDADMM COc1ccccc1CCCn1ccnc1-c1nn[n-]n1 ZINC000826219591 609517974 /nfs/dbraw/zinc/51/79/74/609517974.db2.gz IVXHGVZIYOSVMW-UHFFFAOYSA-N -1 1 284.323 1.705 20 0 CDADMM CSCCCCCCNc1nccnc1-c1nn[n-]n1 ZINC000826227969 609588309 /nfs/dbraw/zinc/58/83/09/609588309.db2.gz AERTULRWQMDIMM-UHFFFAOYSA-N -1 1 293.400 1.992 20 0 CDADMM CSCCCCCCNc1nccnc1-c1nnn[n-]1 ZINC000826227969 609588307 /nfs/dbraw/zinc/58/83/07/609588307.db2.gz AERTULRWQMDIMM-UHFFFAOYSA-N -1 1 293.400 1.992 20 0 CDADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@H](O)[C@@H](F)C1 ZINC000890690379 617277891 /nfs/dbraw/zinc/27/78/91/617277891.db2.gz DTGXPCVEFQIGLB-DTWKUNHWSA-N -1 1 273.691 1.591 20 0 CDADMM 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ZINC001605953738 1163726205 /nfs/dbraw/zinc/72/62/05/1163726205.db2.gz IAYQTCSHFAYISO-QMMMGPOBSA-N -1 1 299.294 1.049 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(CCc2ccns2)c1C ZINC001606021026 1163748355 /nfs/dbraw/zinc/74/83/55/1163748355.db2.gz HDVAONOGWFXLQQ-UHFFFAOYSA-N -1 1 275.341 1.379 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(CCc2ccns2)c1C ZINC001606021026 1163748358 /nfs/dbraw/zinc/74/83/58/1163748358.db2.gz HDVAONOGWFXLQQ-UHFFFAOYSA-N -1 1 275.341 1.379 20 0 CDADMM Cc1ccoc1CN(C)c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001606020023 1163748924 /nfs/dbraw/zinc/74/89/24/1163748924.db2.gz QDPQXKYHGQDWMB-UHFFFAOYSA-N -1 1 285.311 1.503 20 0 CDADMM Cc1ccoc1CN(C)c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001606020023 1163748929 /nfs/dbraw/zinc/74/89/29/1163748929.db2.gz QDPQXKYHGQDWMB-UHFFFAOYSA-N -1 1 285.311 1.503 20 0 CDADMM Cc1nc(N[C@H]2CCCC2(F)F)cc(-c2nnn[n-]2)n1 ZINC001606063405 1163760595 /nfs/dbraw/zinc/76/05/95/1163760595.db2.gz OOYOEOUVNRRPRE-QMMMGPOBSA-N -1 1 281.270 1.565 20 0 CDADMM Cc1nocc1Cn1c(C)c(C)nc1-c1nnn[n-]1 ZINC001606137378 1163784523 /nfs/dbraw/zinc/78/45/23/1163784523.db2.gz JHJMZEZNBOFJOC-UHFFFAOYSA-N -1 1 259.273 1.025 20 0 CDADMM Cc1nocc1Cn1c(C)c(C)nc1-c1nn[n-]n1 ZINC001606137378 1163784526 /nfs/dbraw/zinc/78/45/26/1163784526.db2.gz JHJMZEZNBOFJOC-UHFFFAOYSA-N -1 1 259.273 1.025 20 0 CDADMM Cc1nsc(NC(=O)N(C)C2CCC2)c1-c1nnn[n-]1 ZINC001606149560 1163789760 /nfs/dbraw/zinc/78/97/60/1163789760.db2.gz VJYMKJSIRYJERZ-UHFFFAOYSA-N -1 1 293.356 1.648 20 0 CDADMM Cc1nsc(NC(=O)N(C)C2CCC2)c1-c1nn[n-]n1 ZINC001606149560 1163789763 /nfs/dbraw/zinc/78/97/63/1163789763.db2.gz VJYMKJSIRYJERZ-UHFFFAOYSA-N -1 1 293.356 1.648 20 0 CDADMM CNC(=O)C1(NCc2ccc(/C=C\C(=O)[O-])o2)CCCC1 ZINC001606264238 1163831121 /nfs/dbraw/zinc/83/11/21/1163831121.db2.gz WZKUBGITQBBHTJ-SREVYHEPSA-N -1 1 292.335 1.526 20 0 CDADMM Fc1ccc([C@H]2CCN2c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001606316706 1163856438 /nfs/dbraw/zinc/85/64/38/1163856438.db2.gz IZHWZQRXNXSNGI-LLVKDONJSA-N -1 1 297.297 1.747 20 0 CDADMM O=C(CCn1cccc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606538763 1163926993 /nfs/dbraw/zinc/92/69/93/1163926993.db2.gz SCIWPMOCGATDPT-UHFFFAOYSA-N -1 1 283.295 1.092 20 0 CDADMM O=C(CCn1cccc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606538763 1163926998 /nfs/dbraw/zinc/92/69/98/1163926998.db2.gz SCIWPMOCGATDPT-UHFFFAOYSA-N -1 1 283.295 1.092 20 0 CDADMM O=C(N[C@@H]1CCCSC1)c1coc(-c2nnn[n-]2)c1 ZINC001606670004 1163955747 /nfs/dbraw/zinc/95/57/47/1163955747.db2.gz HRMAAWOZWXJSTC-MRVPVSSYSA-N -1 1 279.325 1.085 20 0 CDADMM O=C(N[C@@H]1CCCSC1)c1coc(-c2nn[n-]n2)c1 ZINC001606670004 1163955752 /nfs/dbraw/zinc/95/57/52/1163955752.db2.gz HRMAAWOZWXJSTC-MRVPVSSYSA-N -1 1 279.325 1.085 20 0 CDADMM O=C(Nc1ccc(F)nc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606923171 1164030327 /nfs/dbraw/zinc/03/03/27/1164030327.db2.gz HHGKCDAGKSZAPD-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(Nc1ccc(F)nc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606923171 1164030336 /nfs/dbraw/zinc/03/03/36/1164030336.db2.gz HHGKCDAGKSZAPD-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM COC[C@H](N)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001606937875 1164035413 /nfs/dbraw/zinc/03/54/13/1164035413.db2.gz SJVDDQVMANXIKC-QMMMGPOBSA-N -1 1 290.678 1.090 20 0 CDADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)C1CCC1 ZINC001606949634 1164036677 /nfs/dbraw/zinc/03/66/77/1164036677.db2.gz HLUZXGNIOLFLQB-UHFFFAOYSA-N -1 1 284.732 1.715 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@H](F)c1ccccc1 ZINC001606946303 1164037341 /nfs/dbraw/zinc/03/73/41/1164037341.db2.gz ZLEHMDGAXSDVKI-SECBINFHSA-N -1 1 287.258 1.239 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1CCc1ccccc1 ZINC001607091772 1164078032 /nfs/dbraw/zinc/07/80/32/1164078032.db2.gz UOOVHADKZOZPAK-UHFFFAOYSA-N -1 1 267.292 1.271 20 0 CDADMM OCCCCCCNc1cccnc1-c1nnn[n-]1 ZINC001607106510 1164087555 /nfs/dbraw/zinc/08/75/55/1164087555.db2.gz WDAQVHCBQZLZFE-UHFFFAOYSA-N -1 1 262.317 1.226 20 0 CDADMM OCCCCCCNc1cccnc1-c1nn[n-]n1 ZINC001607106510 1164087563 /nfs/dbraw/zinc/08/75/63/1164087563.db2.gz WDAQVHCBQZLZFE-UHFFFAOYSA-N -1 1 262.317 1.226 20 0 CDADMM O[C@H]1C[C@@H](CNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001607109387 1164088927 /nfs/dbraw/zinc/08/89/27/1164088927.db2.gz OQKSPPIPUCDSTE-SYDPRGILSA-N -1 1 286.748 1.159 20 0 CDADMM O[C@H]1C[C@@H](CNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001607109387 1164088936 /nfs/dbraw/zinc/08/89/36/1164088936.db2.gz OQKSPPIPUCDSTE-SYDPRGILSA-N -1 1 286.748 1.159 20 0 CDADMM c1c(-c2nnn[n-]2)nc(C2CC2)nc1N1CC[C@H](C2CC2)C1 ZINC001607112417 1164093707 /nfs/dbraw/zinc/09/37/07/1164093707.db2.gz QYHYDNVYSLJTKN-NSHDSACASA-N -1 1 297.366 1.770 20 0 CDADMM c1c(-c2nn[n-]n2)nc(C2CC2)nc1N1CC[C@H](C2CC2)C1 ZINC001607112417 1164093713 /nfs/dbraw/zinc/09/37/13/1164093713.db2.gz QYHYDNVYSLJTKN-NSHDSACASA-N -1 1 297.366 1.770 20 0 CDADMM c1cnc2c(c1)CCC[C@H]2Nc1nccnc1-c1nnn[n-]1 ZINC001607136048 1164115207 /nfs/dbraw/zinc/11/52/07/1164115207.db2.gz LLHZAERRTQYEDC-SNVBAGLBSA-N -1 1 294.322 1.541 20 0 CDADMM c1cnc2c(c1)CCC[C@H]2Nc1nccnc1-c1nn[n-]n1 ZINC001607136048 1164115213 /nfs/dbraw/zinc/11/52/13/1164115213.db2.gz LLHZAERRTQYEDC-SNVBAGLBSA-N -1 1 294.322 1.541 20 0 CDADMM c1ncc(N2C[C@@H](C3CC3)C[C@H]2C2CC2)nc1-c1nnn[n-]1 ZINC001607139152 1164121026 /nfs/dbraw/zinc/12/10/26/1164121026.db2.gz WWFBKNPBDYFZFQ-AAEUAGOBSA-N -1 1 297.366 1.672 20 0 CDADMM c1ncc(N2C[C@@H](C3CC3)C[C@H]2C2CC2)nc1-c1nn[n-]n1 ZINC001607139152 1164121030 /nfs/dbraw/zinc/12/10/30/1164121030.db2.gz WWFBKNPBDYFZFQ-AAEUAGOBSA-N -1 1 297.366 1.672 20 0 CDADMM Cc1ccc(CN[C@@H](CC(F)(F)F)C(=O)[O-])nn1 ZINC001607782660 1164296137 /nfs/dbraw/zinc/29/61/37/1164296137.db2.gz CHHWUVRHVNAZAI-QMMMGPOBSA-N -1 1 263.219 1.280 20 0 CDADMM Cc1n[nH]c([C@@H]2CCN([C@H](C)c3nc(C(=O)[O-])co3)C2)n1 ZINC001607952081 1164352157 /nfs/dbraw/zinc/35/21/57/1164352157.db2.gz NDISRIOUDCHKOE-VXNVDRBHSA-N -1 1 291.311 1.350 20 0 CDADMM Cc1nnc([C@@H]2CCN([C@H](C)c3nc(C(=O)[O-])co3)C2)[nH]1 ZINC001607952081 1164352162 /nfs/dbraw/zinc/35/21/62/1164352162.db2.gz NDISRIOUDCHKOE-VXNVDRBHSA-N -1 1 291.311 1.350 20 0 CDADMM Cn1c(Cl)ncc1CNCc1ccccc1CC(=O)[O-] ZINC001608088074 1164405017 /nfs/dbraw/zinc/40/50/17/1164405017.db2.gz KNGSXFAOUDXORF-UHFFFAOYSA-N -1 1 293.754 1.990 20 0 CDADMM O=C([O-])c1csc(NC(=O)NCCN2CC=CCC2)c1 ZINC001608445368 1164517305 /nfs/dbraw/zinc/51/73/05/1164517305.db2.gz LBLDDJIVTODPCZ-UHFFFAOYSA-N -1 1 295.364 1.830 20 0 CDADMM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)c1ncn[nH]1 ZINC001608705702 1164612930 /nfs/dbraw/zinc/61/29/30/1164612930.db2.gz SYBFWGWQBTWNSL-LLVKDONJSA-N -1 1 294.355 1.738 20 0 CDADMM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)c1nc[nH]n1 ZINC001608705702 1164612936 /nfs/dbraw/zinc/61/29/36/1164612936.db2.gz SYBFWGWQBTWNSL-LLVKDONJSA-N -1 1 294.355 1.738 20 0 CDADMM O=C([O-])c1ccc(CN2C[C@@H]3C[C@H]2CS3)nc1 ZINC001608882919 1164672906 /nfs/dbraw/zinc/67/29/06/1164672906.db2.gz CZHHWIYYGOBOJQ-QWRGUYRKSA-N -1 1 250.323 1.470 20 0 CDADMM C[C@H](Nc1cc(Cl)[n-]c(=O)n1)[C@H](O)C(F)(F)F ZINC000866078541 1164730549 /nfs/dbraw/zinc/73/05/49/1164730549.db2.gz LOZYCMPGTUQLFZ-DZSWIPIPSA-N -1 1 271.626 1.559 20 0 CDADMM CC(F)(F)CC(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001609116410 1164779420 /nfs/dbraw/zinc/77/94/20/1164779420.db2.gz LLIRKWRGNDFXEK-UHFFFAOYSA-N -1 1 289.267 1.412 20 0 CDADMM CC(F)(F)CC(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001609116410 1164779425 /nfs/dbraw/zinc/77/94/25/1164779425.db2.gz LLIRKWRGNDFXEK-UHFFFAOYSA-N -1 1 289.267 1.412 20 0 CDADMM CCC[C@@H](NC(=O)Cc1cccnc1Cl)c1nn[n-]n1 ZINC000866420781 1164780318 /nfs/dbraw/zinc/78/03/18/1164780318.db2.gz RXDYVYSMSRQJKK-SECBINFHSA-N -1 1 294.746 1.448 20 0 CDADMM C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccncc1 ZINC001609132318 1164787650 /nfs/dbraw/zinc/78/76/50/1164787650.db2.gz QZHZWULZOBNSNZ-SECBINFHSA-N -1 1 296.290 1.575 20 0 CDADMM C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001609132318 1164787655 /nfs/dbraw/zinc/78/76/55/1164787655.db2.gz QZHZWULZOBNSNZ-SECBINFHSA-N -1 1 296.290 1.575 20 0 CDADMM C[C@@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@@H](C)[C@H]1C ZINC001609172124 1164812626 /nfs/dbraw/zinc/81/26/26/1164812626.db2.gz OIWDDMXFIRWOFP-UTLUCORTSA-N -1 1 286.339 1.378 20 0 CDADMM C[C@@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@@H](C)[C@H]1C ZINC001609172124 1164812631 /nfs/dbraw/zinc/81/26/31/1164812631.db2.gz OIWDDMXFIRWOFP-UTLUCORTSA-N -1 1 286.339 1.378 20 0 CDADMM C[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)o2)C[C@H]1C(=O)[O-] ZINC001609169135 1164814151 /nfs/dbraw/zinc/81/41/51/1164814151.db2.gz UZBOQVFXSQRRMP-PSASIEDQSA-N -1 1 291.311 1.002 20 0 CDADMM C[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)o2)C[C@H]1C(=O)[O-] ZINC001609169135 1164814162 /nfs/dbraw/zinc/81/41/62/1164814162.db2.gz UZBOQVFXSQRRMP-PSASIEDQSA-N -1 1 291.311 1.002 20 0 CDADMM C[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)o2)C[C@H]1C(=O)[O-] ZINC001609169135 1164814167 /nfs/dbraw/zinc/81/41/67/1164814167.db2.gz UZBOQVFXSQRRMP-PSASIEDQSA-N -1 1 291.311 1.002 20 0 CDADMM CCC[C@@H](CNc1cccnc1-c1nnn[n-]1)OC ZINC001609205584 1164845121 /nfs/dbraw/zinc/84/51/21/1164845121.db2.gz QJBWDXOVJXZUNO-VIFPVBQESA-N -1 1 262.317 1.489 20 0 CDADMM CCC[C@@H](CNc1cccnc1-c1nn[n-]n1)OC ZINC001609205584 1164845125 /nfs/dbraw/zinc/84/51/25/1164845125.db2.gz QJBWDXOVJXZUNO-VIFPVBQESA-N -1 1 262.317 1.489 20 0 CDADMM CCN(C[C@@H](C)OC)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609222018 1164850824 /nfs/dbraw/zinc/85/08/24/1164850824.db2.gz IAILDGUBOQNJOO-MRVPVSSYSA-N -1 1 295.368 1.425 20 0 CDADMM CCN(C[C@@H](C)OC)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609222018 1164850827 /nfs/dbraw/zinc/85/08/27/1164850827.db2.gz IAILDGUBOQNJOO-MRVPVSSYSA-N -1 1 295.368 1.425 20 0 CDADMM CCOC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)C(C)C ZINC001609240061 1164861910 /nfs/dbraw/zinc/86/19/10/1164861910.db2.gz HZUMDHBAADOHSW-VIFPVBQESA-N -1 1 293.327 1.251 20 0 CDADMM CCOC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)C(C)C ZINC001609240061 1164861916 /nfs/dbraw/zinc/86/19/16/1164861916.db2.gz HZUMDHBAADOHSW-VIFPVBQESA-N -1 1 293.327 1.251 20 0 CDADMM COc1ccc(OC(=O)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC001609358223 1164911763 /nfs/dbraw/zinc/91/17/63/1164911763.db2.gz IDWXFXVPCDHGBF-UHFFFAOYSA-N -1 1 297.274 1.490 20 0 CDADMM COc1ccc(OC(=O)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC001609358223 1164911770 /nfs/dbraw/zinc/91/17/70/1164911770.db2.gz IDWXFXVPCDHGBF-UHFFFAOYSA-N -1 1 297.274 1.490 20 0 CDADMM CSCC[C@H](C)OC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609370939 1164912871 /nfs/dbraw/zinc/91/28/71/1164912871.db2.gz IFNVPJCUQKPPDH-QMMMGPOBSA-N -1 1 293.352 1.560 20 0 CDADMM CSCC[C@H](C)OC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609370939 1164912873 /nfs/dbraw/zinc/91/28/73/1164912873.db2.gz IFNVPJCUQKPPDH-QMMMGPOBSA-N -1 1 293.352 1.560 20 0 CDADMM Cc1noc(C)c1[C@@H](C)Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001609408847 1164933626 /nfs/dbraw/zinc/93/36/26/1164933626.db2.gz NOINIAPDDOZEMW-MRVPVSSYSA-N -1 1 299.338 1.770 20 0 CDADMM Cc1noc(C)c1[C@@H](C)Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001609408847 1164933634 /nfs/dbraw/zinc/93/36/34/1164933634.db2.gz NOINIAPDDOZEMW-MRVPVSSYSA-N -1 1 299.338 1.770 20 0 CDADMM Cc1cc(NC[C@@H]2C[C@H](C)O[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001609409641 1164934220 /nfs/dbraw/zinc/93/42/20/1164934220.db2.gz RHAUSYMSNHEOED-AXFHLTTASA-N -1 1 288.355 1.796 20 0 CDADMM Cc1cc(NC[C@@H]2C[C@H](C)O[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001609409641 1164934225 /nfs/dbraw/zinc/93/42/25/1164934225.db2.gz RHAUSYMSNHEOED-AXFHLTTASA-N -1 1 288.355 1.796 20 0 CDADMM Cc1ccc(CN(C)c2ncncc2-c2nn[n-]n2)cc1C ZINC001609423359 1164940220 /nfs/dbraw/zinc/94/02/20/1164940220.db2.gz MKCTXESOSJHJOY-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC(F)(F)C1 ZINC001609466926 1164963987 /nfs/dbraw/zinc/96/39/87/1164963987.db2.gz OCPXJAMBNTUWMF-UHFFFAOYSA-N -1 1 283.238 1.249 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC(F)(F)C1 ZINC001609466926 1164963991 /nfs/dbraw/zinc/96/39/91/1164963991.db2.gz OCPXJAMBNTUWMF-UHFFFAOYSA-N -1 1 283.238 1.249 20 0 CDADMM FC(F)C1CCC(Nc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001609485085 1164969256 /nfs/dbraw/zinc/96/92/56/1164969256.db2.gz BZJKUCAOSAULFW-UHFFFAOYSA-N -1 1 294.309 1.919 20 0 CDADMM FC(F)C1CCC(Nc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001609485085 1164969262 /nfs/dbraw/zinc/96/92/62/1164969262.db2.gz BZJKUCAOSAULFW-UHFFFAOYSA-N -1 1 294.309 1.919 20 0 CDADMM O=C(N[C@@H]1CC12CC2)c1ccc(-c2nnn[n-]2)s1 ZINC001609540199 1164985225 /nfs/dbraw/zinc/98/52/25/1164985225.db2.gz RVBBTGVQKYOWNQ-MRVPVSSYSA-N -1 1 261.310 1.211 20 0 CDADMM O=C(N[C@@H]1CC12CC2)c1ccc(-c2nn[n-]n2)s1 ZINC001609540199 1164985228 /nfs/dbraw/zinc/98/52/28/1164985228.db2.gz RVBBTGVQKYOWNQ-MRVPVSSYSA-N -1 1 261.310 1.211 20 0 CDADMM C[C@](CC(=O)[O-])(NC(=O)c1ncn[nH]1)c1cccc(F)c1 ZINC001609730993 1165058083 /nfs/dbraw/zinc/05/80/83/1165058083.db2.gz ZOYXWOAEZDSMIS-CYBMUJFWSA-N -1 1 292.270 1.064 20 0 CDADMM C[C@](CC(=O)[O-])(NC(=O)c1nc[nH]n1)c1cccc(F)c1 ZINC001609730993 1165058086 /nfs/dbraw/zinc/05/80/86/1165058086.db2.gz ZOYXWOAEZDSMIS-CYBMUJFWSA-N -1 1 292.270 1.064 20 0 CDADMM C[C@H](NCc1c[nH]cn1)c1ccc(OCC(=O)[O-])cc1 ZINC001609778513 1165077449 /nfs/dbraw/zinc/07/74/49/1165077449.db2.gz HKWWQJSRCTUAMF-JTQLQIEISA-N -1 1 275.308 1.724 20 0 CDADMM C[C@@]1(C(=O)[O-])CCCN(Cn2c(=O)oc3ccccc32)C1 ZINC001609811023 1165090730 /nfs/dbraw/zinc/09/07/30/1165090730.db2.gz GSAQOIUBBYYGRU-OAHLLOKOSA-N -1 1 290.319 1.739 20 0 CDADMM CCc1ccccc1NC(=O)CN1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001610070699 1165202756 /nfs/dbraw/zinc/20/27/56/1165202756.db2.gz MYNJFQZXSJQSJY-JYAVWHMHSA-N -1 1 288.347 1.450 20 0 CDADMM Cc1cnc(C(=O)Nc2ccc(CC(=O)[O-])cc2)c(O)c1 ZINC001610538871 1165346394 /nfs/dbraw/zinc/34/63/94/1165346394.db2.gz NXJHIQSTOCERSV-UHFFFAOYSA-N -1 1 286.287 1.975 20 0 CDADMM Cc1ncc(CN2[C@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)cn1 ZINC001610562650 1165356153 /nfs/dbraw/zinc/35/61/53/1165356153.db2.gz IGFHTDVAKZZXDF-IGJVIKARSA-N -1 1 291.351 1.380 20 0 CDADMM O=C(Nc1ccnn1[C@@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000888591383 1165367401 /nfs/dbraw/zinc/36/74/01/1165367401.db2.gz VDYAEIKXWMOTBD-SNVBAGLBSA-N -1 1 291.282 1.942 20 0 CDADMM O=C([O-])c1c[nH]ccc1=NC(=O)c1cc(C2CC2)no1 ZINC001610712092 1165411228 /nfs/dbraw/zinc/41/12/28/1165411228.db2.gz VUUHFOSNZRHMRS-UHFFFAOYSA-N -1 1 273.248 1.319 20 0 CDADMM O=C([O-])CC1CCN(CC(=O)NCC2CCCCC2)CC1 ZINC001610763287 1165432628 /nfs/dbraw/zinc/43/26/28/1165432628.db2.gz RGCGRCARRYQGSH-UHFFFAOYSA-N -1 1 296.411 1.870 20 0 CDADMM O=C([O-])c1cccc2c1CN(c1ncnc3[nH]cnc31)CC2 ZINC001610850536 1165461889 /nfs/dbraw/zinc/46/18/89/1165461889.db2.gz HLYFDVHMIXGVMD-UHFFFAOYSA-N -1 1 295.302 1.614 20 0 CDADMM CCc1oc(CN2CCC[C@@H](C(=O)[O-])C2)cc1C(=O)OC ZINC000874050169 1165603215 /nfs/dbraw/zinc/60/32/15/1165603215.db2.gz OENZRGHMOXIMBP-SNVBAGLBSA-N -1 1 295.335 1.925 20 0 CDADMM COC[C@@H](C)[N-]S(=O)(=O)c1sc(Cl)nc1C ZINC000035357048 1165669997 /nfs/dbraw/zinc/66/99/97/1165669997.db2.gz UYKKGHXRLMYDFN-RXMQYKEDSA-N -1 1 284.790 1.418 20 0 CDADMM CCOCC[N-]S(=O)(=O)c1sc(Cl)nc1C ZINC000036230115 1165749303 /nfs/dbraw/zinc/74/93/03/1165749303.db2.gz NTVAIBXZAMWBEO-UHFFFAOYSA-N -1 1 284.790 1.420 20 0 CDADMM Cn1ccnc1NC(=O)c1[n-]cnc1C(=O)c1ccccc1 ZINC001626593300 1165947891 /nfs/dbraw/zinc/94/78/91/1165947891.db2.gz BPQAACWJMBEXHQ-UHFFFAOYSA-N -1 1 295.302 1.627 20 0 CDADMM CCC(CC)(NC(=O)CCC1CCC1)c1nn[n-]n1 ZINC001634815131 1166539746 /nfs/dbraw/zinc/53/97/46/1166539746.db2.gz AZMBQLWHKFNLIK-UHFFFAOYSA-N -1 1 265.361 1.912 20 0 CDADMM Nc1n[nH]c(CCNC(=O)c2cc3ccccc3cc2[O-])n1 ZINC001637261860 1166741213 /nfs/dbraw/zinc/74/12/13/1166741213.db2.gz WMQWQGCZWSCBIP-UHFFFAOYSA-N -1 1 297.318 1.218 20 0 CDADMM CSc1ncc(C(=O)N[C@H]2CC2(C)C)c(=O)[n-]1 ZINC001637822502 1166787660 /nfs/dbraw/zinc/78/76/60/1166787660.db2.gz RINNUQYVJURLNV-ZETCQYMHSA-N -1 1 253.327 1.432 20 0 CDADMM CCc1noc2ncc(C(=O)Nc3c[n-][nH]c3=O)cc12 ZINC001638735421 1166867569 /nfs/dbraw/zinc/86/75/69/1166867569.db2.gz HPDGIYGIAOZNPY-UHFFFAOYSA-N -1 1 273.252 1.466 20 0 CDADMM Cc1cc(C(=O)Nc2c[n-][nH]c2=O)ccc1-n1cncn1 ZINC001638735728 1166868250 /nfs/dbraw/zinc/86/82/50/1166868250.db2.gz WONKYNXMMYEVPS-UHFFFAOYSA-N -1 1 284.279 1.257 20 0 CDADMM O=C(NC[C@H]1CCCCO1)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155269403 1167110289 /nfs/dbraw/zinc/11/02/89/1167110289.db2.gz DNDPOXSBLGQGMA-SNVBAGLBSA-N -1 1 275.308 1.567 20 0 CDADMM C[C@H]1C[C@H](NC(=O)c2[n-][nH]c3cc(=O)ccc2-3)CCO1 ZINC001155273844 1167112574 /nfs/dbraw/zinc/11/25/74/1167112574.db2.gz ZDVMIMSIJLBPOX-DTWKUNHWSA-N -1 1 275.308 1.566 20 0 CDADMM C[C@@H]1C[C@H](NC(=O)c2[n-][nH]c3cc(=O)ccc2-3)CCO1 ZINC001155273846 1167114580 /nfs/dbraw/zinc/11/45/80/1167114580.db2.gz ZDVMIMSIJLBPOX-RKDXNWHRSA-N -1 1 275.308 1.566 20 0 CDADMM O=C(Nc1nn2cnnc2s1)c1ccc(F)c([O-])c1 ZINC001643701676 1167262782 /nfs/dbraw/zinc/26/27/82/1167262782.db2.gz UOHAMKOJQQKAFY-UHFFFAOYSA-N -1 1 279.256 1.283 20 0 CDADMM O=C(COC(=O)[C@H]1C[C@]12CCOC2)c1ccc([O-])cc1O ZINC001645682665 1167464132 /nfs/dbraw/zinc/46/41/32/1167464132.db2.gz JZJDOBBVXIAENW-ABAIWWIYSA-N -1 1 292.287 1.250 20 0 CDADMM CC(C)(C)S(=O)(=O)[N-]C(=O)c1[nH]nc2c1CCCCC2 ZINC001645806448 1167515719 /nfs/dbraw/zinc/51/57/19/1167515719.db2.gz ZMNSMDDWEGSMMU-UHFFFAOYSA-N -1 1 299.396 1.537 20 0 CDADMM Cc1cocc1C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001454253411 1167734312 /nfs/dbraw/zinc/73/43/12/1167734312.db2.gz GFYMZJPEBIFQGI-LBPRGKRZSA-N -1 1 283.291 1.621 20 0 CDADMM COc1ccc(C(=O)N(C)c2nn[n-]n2)c2ccccc12 ZINC001647845011 1169066848 /nfs/dbraw/zinc/06/68/48/1169066848.db2.gz XJMVKBKYHXAVFH-UHFFFAOYSA-N -1 1 283.291 1.638 20 0 CDADMM Cn1nc(NC(=O)CCCc2nn[n-]n2)c2ccccc21 ZINC001648697941 1169153678 /nfs/dbraw/zinc/15/36/78/1169153678.db2.gz NXIWAISNHQXRKF-UHFFFAOYSA-N -1 1 285.311 1.048 20 0 CDADMM CC(C)N1C(=O)CN(CC(C)(C)CC(=O)[O-])CC1(C)C ZINC001573524489 1170681676 /nfs/dbraw/zinc/68/16/76/1170681676.db2.gz DTUHFEQKNNSSNT-UHFFFAOYSA-N -1 1 284.400 1.819 20 0 CDADMM Cn1cc(CN2CCO[C@@H](C(C)(C)C)CC2)c(C(=O)[O-])n1 ZINC001574212792 1170920628 /nfs/dbraw/zinc/92/06/28/1170920628.db2.gz RKQDLYUMSLEQFU-GFCCVEGCSA-N -1 1 295.383 1.755 20 0 CDADMM O=C([O-])[C@@H]1C[C@H]1CN1CCN(c2ccc(F)cc2F)CC1 ZINC001574396023 1170969884 /nfs/dbraw/zinc/96/98/84/1170969884.db2.gz WMWJFYNTXFUARY-CMPLNLGQSA-N -1 1 296.317 1.808 20 0 CDADMM COc1cc(C(=O)Nc2c[n-][nH]c2=O)c2ccccc2n1 ZINC001651044479 1171282139 /nfs/dbraw/zinc/28/21/39/1171282139.db2.gz LDWNAYHNQUNKPV-UHFFFAOYSA-N -1 1 284.275 1.924 20 0 CDADMM CCOc1ncccc1CNc1ncncc1-c1nn[n-]n1 ZINC001578408329 1171897678 /nfs/dbraw/zinc/89/76/78/1171897678.db2.gz POSOIJYSUDXZQX-UHFFFAOYSA-N -1 1 298.310 1.063 20 0 CDADMM CN(C(=O)c1ccc(F)cn1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578927306 1172050919 /nfs/dbraw/zinc/05/09/19/1172050919.db2.gz CDTLGLRYNWGQOW-UHFFFAOYSA-N -1 1 299.269 1.072 20 0 CDADMM Cc1nc(Oc2cccnc2)cc(-c2nnn[n-]2)n1 ZINC001581531195 1172614658 /nfs/dbraw/zinc/61/46/58/1172614658.db2.gz YXGQQZUVAUGVME-UHFFFAOYSA-N -1 1 255.241 1.152 20 0 CDADMM Cc1occc1CNc1cncc(-c2nnn[n-]2)n1 ZINC001581733955 1172619931 /nfs/dbraw/zinc/61/99/31/1172619931.db2.gz XGYSTLHOUFCVHA-UHFFFAOYSA-N -1 1 257.257 1.170 20 0 CDADMM Cc1occc1CNc1cncc(-c2nn[n-]n2)n1 ZINC001581733955 1172619938 /nfs/dbraw/zinc/61/99/38/1172619938.db2.gz XGYSTLHOUFCVHA-UHFFFAOYSA-N -1 1 257.257 1.170 20 0 CDADMM O=C(NC1(c2ccccc2)CC1)c1coc(-c2nnn[n-]2)c1 ZINC001582244741 1172663339 /nfs/dbraw/zinc/66/33/39/1172663339.db2.gz DIAZDLCPKSTMEW-UHFFFAOYSA-N -1 1 295.302 1.879 20 0 CDADMM O=C(NC1(c2ccccc2)CC1)c1coc(-c2nn[n-]n2)c1 ZINC001582244741 1172663343 /nfs/dbraw/zinc/66/33/43/1172663343.db2.gz DIAZDLCPKSTMEW-UHFFFAOYSA-N -1 1 295.302 1.879 20 0 CDADMM O=C(OCc1ccncc1F)c1coc(-c2nnn[n-]2)c1 ZINC001582656052 1172686292 /nfs/dbraw/zinc/68/62/92/1172686292.db2.gz NYMRMAAAYAWUPJ-UHFFFAOYSA-N -1 1 289.226 1.351 20 0 CDADMM O=C(OCc1ccncc1F)c1coc(-c2nn[n-]n2)c1 ZINC001582656052 1172686293 /nfs/dbraw/zinc/68/62/93/1172686293.db2.gz NYMRMAAAYAWUPJ-UHFFFAOYSA-N -1 1 289.226 1.351 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cnn(C2CC2)c1 ZINC001582644453 1172687367 /nfs/dbraw/zinc/68/73/67/1172687367.db2.gz GKXZOQKYOIRZKG-UHFFFAOYSA-N -1 1 296.294 1.045 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cnn(C2CC2)c1 ZINC001582644453 1172687370 /nfs/dbraw/zinc/68/73/70/1172687370.db2.gz GKXZOQKYOIRZKG-UHFFFAOYSA-N -1 1 296.294 1.045 20 0 CDADMM O=C(Nc1cnn(Cc2ccncc2)c1)c1ccc([O-])cn1 ZINC001584318167 1172814049 /nfs/dbraw/zinc/81/40/49/1172814049.db2.gz WNJRBCAYZOYEIW-UHFFFAOYSA-N -1 1 295.302 1.679 20 0 CDADMM CC(C)=CCCOC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589375268 1173140245 /nfs/dbraw/zinc/14/02/45/1173140245.db2.gz AIGMDECEAQTVGY-UHFFFAOYSA-N -1 1 273.296 1.775 20 0 CDADMM CC(C)=CCCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589375268 1173140250 /nfs/dbraw/zinc/14/02/50/1173140250.db2.gz AIGMDECEAQTVGY-UHFFFAOYSA-N -1 1 273.296 1.775 20 0 CDADMM CC(C)[C@@]1(C)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001589491406 1173149015 /nfs/dbraw/zinc/14/90/15/1173149015.db2.gz UNAFVXVBUCLKIQ-JOYOIKCWSA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)[C@@]1(C)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001589491406 1173149017 /nfs/dbraw/zinc/14/90/17/1173149017.db2.gz UNAFVXVBUCLKIQ-JOYOIKCWSA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)SCCOC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589761245 1173172252 /nfs/dbraw/zinc/17/22/52/1173172252.db2.gz BZQWPKIGKKJXAH-UHFFFAOYSA-N -1 1 282.325 1.758 20 0 CDADMM CC(C)SCCOC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589761245 1173172258 /nfs/dbraw/zinc/17/22/58/1173172258.db2.gz BZQWPKIGKKJXAH-UHFFFAOYSA-N -1 1 282.325 1.758 20 0 CDADMM C[C@H](N(C)C(=O)c1ccc(-c2nnn[n-]2)o1)C(C)(C)C ZINC001589911597 1173201407 /nfs/dbraw/zinc/20/14/07/1173201407.db2.gz NUPOURHBUXXDCJ-QMMMGPOBSA-N -1 1 277.328 1.966 20 0 CDADMM C[C@H](N(C)C(=O)c1ccc(-c2nn[n-]n2)o1)C(C)(C)C ZINC001589911597 1173201409 /nfs/dbraw/zinc/20/14/09/1173201409.db2.gz NUPOURHBUXXDCJ-QMMMGPOBSA-N -1 1 277.328 1.966 20 0 CDADMM CC1(C)C[C@@H]1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001590112710 1173262389 /nfs/dbraw/zinc/26/23/89/1173262389.db2.gz CGTQMPQPBAKNFG-RXMQYKEDSA-N -1 1 264.314 1.308 20 0 CDADMM CC1(C)C[C@@H]1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001590112710 1173262394 /nfs/dbraw/zinc/26/23/94/1173262394.db2.gz CGTQMPQPBAKNFG-RXMQYKEDSA-N -1 1 264.314 1.308 20 0 CDADMM CC1(C2CC2)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001590121717 1173263920 /nfs/dbraw/zinc/26/39/20/1173263920.db2.gz BUPWPCKRBHLJJP-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM CC1(C2CC2)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001590121717 1173263925 /nfs/dbraw/zinc/26/39/25/1173263925.db2.gz BUPWPCKRBHLJJP-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@]1(CCNC(=O)c2ccc(-c3nnn[n-]3)o2)CC1(F)F ZINC001590127962 1173264269 /nfs/dbraw/zinc/26/42/69/1173264269.db2.gz RWKMORHIAYUIHH-NSHDSACASA-N -1 1 297.265 1.625 20 0 CDADMM C[C@]1(CCNC(=O)c2ccc(-c3nn[n-]n3)o2)CC1(F)F ZINC001590127962 1173264275 /nfs/dbraw/zinc/26/42/75/1173264275.db2.gz RWKMORHIAYUIHH-NSHDSACASA-N -1 1 297.265 1.625 20 0 CDADMM CC1(c2ccccc2)CN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001590153762 1173276721 /nfs/dbraw/zinc/27/67/21/1173276721.db2.gz QJWCTFDURKOAAR-UHFFFAOYSA-N -1 1 293.334 1.435 20 0 CDADMM CC1(c2ccccc2)CN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001590153762 1173276727 /nfs/dbraw/zinc/27/67/27/1173276727.db2.gz QJWCTFDURKOAAR-UHFFFAOYSA-N -1 1 293.334 1.435 20 0 CDADMM CC1CC(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001590192230 1173287677 /nfs/dbraw/zinc/28/76/77/1173287677.db2.gz COXHJLJRJJLRRG-UHFFFAOYSA-N -1 1 289.314 1.782 20 0 CDADMM CC1CC(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001590192230 1173287683 /nfs/dbraw/zinc/28/76/83/1173287683.db2.gz COXHJLJRJJLRRG-UHFFFAOYSA-N -1 1 289.314 1.782 20 0 CDADMM C[C@@H]1CC2(CCC2)CN1c1cc(-c2nnn[n-]2)ncn1 ZINC001590219093 1173299095 /nfs/dbraw/zinc/29/90/95/1173299095.db2.gz KMJRADQWWLJRSW-SECBINFHSA-N -1 1 271.328 1.426 20 0 CDADMM C[C@@H]1CC2(CCC2)CN1c1cc(-c2nn[n-]n2)ncn1 ZINC001590219093 1173299100 /nfs/dbraw/zinc/29/91/00/1173299100.db2.gz KMJRADQWWLJRSW-SECBINFHSA-N -1 1 271.328 1.426 20 0 CDADMM C[C@@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590222092 1173299606 /nfs/dbraw/zinc/29/96/06/1173299606.db2.gz FSDDUWSJNYZUCD-NXEZZACHSA-N -1 1 286.339 1.661 20 0 CDADMM C[C@@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590222092 1173299609 /nfs/dbraw/zinc/29/96/09/1173299609.db2.gz FSDDUWSJNYZUCD-NXEZZACHSA-N -1 1 286.339 1.661 20 0 CDADMM C[C@@H]1CC[C@H](OC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590239031 1173312371 /nfs/dbraw/zinc/31/23/71/1173312371.db2.gz KFRCSXVIGLYSKA-SCZZXKLOSA-N -1 1 273.296 1.607 20 0 CDADMM C[C@@H]1CC[C@H](OC(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590239031 1173312375 /nfs/dbraw/zinc/31/23/75/1173312375.db2.gz KFRCSXVIGLYSKA-SCZZXKLOSA-N -1 1 273.296 1.607 20 0 CDADMM C[C@@H]1CCC[C@H](CNc2ncncc2-c2nn[n-]n2)C1 ZINC001590240541 1173315396 /nfs/dbraw/zinc/31/53/96/1173315396.db2.gz FAXOYNLITFNFJC-ZJUUUORDSA-N -1 1 273.344 1.895 20 0 CDADMM C[C@H]1CCC[C@@H](C2CN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001590244990 1173315757 /nfs/dbraw/zinc/31/57/57/1173315757.db2.gz XKGDEGMPNLWFBM-WDEREUQCSA-N -1 1 299.382 1.919 20 0 CDADMM C[C@H]1CCC[C@@H](C2CN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001590244990 1173315761 /nfs/dbraw/zinc/31/57/61/1173315761.db2.gz XKGDEGMPNLWFBM-WDEREUQCSA-N -1 1 299.382 1.919 20 0 CDADMM C[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)[C@@H]1CCO ZINC001590262632 1173326380 /nfs/dbraw/zinc/32/63/80/1173326380.db2.gz WYRKUTKPCZHJRT-ZYHUDNBSSA-N -1 1 288.355 1.249 20 0 CDADMM C[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)[C@@H]1CCO ZINC001590262632 1173326388 /nfs/dbraw/zinc/32/63/88/1173326388.db2.gz WYRKUTKPCZHJRT-ZYHUDNBSSA-N -1 1 288.355 1.249 20 0 CDADMM C/C=C\C[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001590356334 1173374836 /nfs/dbraw/zinc/37/48/36/1173374836.db2.gz YQBRCRCPERNOLL-OTDNITJGSA-N -1 1 285.355 1.839 20 0 CDADMM C/C=C\C[C@@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001590356334 1173374842 /nfs/dbraw/zinc/37/48/42/1173374842.db2.gz YQBRCRCPERNOLL-OTDNITJGSA-N -1 1 285.355 1.839 20 0 CDADMM CCC(C)(C)CCn1cccc(-c2nn[n-]n2)c1=O ZINC001590376226 1173381377 /nfs/dbraw/zinc/38/13/77/1173381377.db2.gz ZUPUNWVGEIXNCF-UHFFFAOYSA-N -1 1 261.329 1.855 20 0 CDADMM CC[C@@H](C)COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590410856 1173395014 /nfs/dbraw/zinc/39/50/14/1173395014.db2.gz SLKDRRVLPKXZBI-MRVPVSSYSA-N -1 1 261.285 1.465 20 0 CDADMM CC[C@@H](C)COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590410856 1173395018 /nfs/dbraw/zinc/39/50/18/1173395018.db2.gz SLKDRRVLPKXZBI-MRVPVSSYSA-N -1 1 261.285 1.465 20 0 CDADMM CC[C@H](SC)C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001590480382 1173430902 /nfs/dbraw/zinc/43/09/02/1173430902.db2.gz FIFHGRSLQCLNKO-JTQLQIEISA-N -1 1 292.368 1.366 20 0 CDADMM CC[C@H](SC)C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001590480382 1173430909 /nfs/dbraw/zinc/43/09/09/1173430909.db2.gz FIFHGRSLQCLNKO-JTQLQIEISA-N -1 1 292.368 1.366 20 0 CDADMM CCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001590497445 1173433067 /nfs/dbraw/zinc/43/30/67/1173433067.db2.gz DHPPGCFBMNCYFP-UHFFFAOYSA-N -1 1 259.317 1.791 20 0 CDADMM CCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001590497445 1173433074 /nfs/dbraw/zinc/43/30/74/1173433074.db2.gz DHPPGCFBMNCYFP-UHFFFAOYSA-N -1 1 259.317 1.791 20 0 CDADMM CC[C@H]1[C@H](C)CCN1c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001590501717 1173436885 /nfs/dbraw/zinc/43/68/85/1173436885.db2.gz DFHAVSINQZNLKG-KCJUWKMLSA-N -1 1 273.344 1.590 20 0 CDADMM CC[C@H]1[C@H](C)CCN1c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001590501717 1173436887 /nfs/dbraw/zinc/43/68/87/1173436887.db2.gz DFHAVSINQZNLKG-KCJUWKMLSA-N -1 1 273.344 1.590 20 0 CDADMM CC[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001590506505 1173440513 /nfs/dbraw/zinc/44/05/13/1173440513.db2.gz UBPPUSMBHXIAFW-DTWKUNHWSA-N -1 1 291.311 1.147 20 0 CDADMM CC[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001590506505 1173440516 /nfs/dbraw/zinc/44/05/16/1173440516.db2.gz UBPPUSMBHXIAFW-DTWKUNHWSA-N -1 1 291.311 1.147 20 0 CDADMM CC[C@@H]1CC[C@H](C)N1c1cncc(-c2nnn[n-]2)n1 ZINC001590505871 1173441114 /nfs/dbraw/zinc/44/11/14/1173441114.db2.gz WWPVCMJLVXAGQB-DTWKUNHWSA-N -1 1 259.317 1.424 20 0 CDADMM CC[C@@H]1CC[C@H](C)N1c1cncc(-c2nn[n-]n2)n1 ZINC001590505871 1173441119 /nfs/dbraw/zinc/44/11/19/1173441119.db2.gz WWPVCMJLVXAGQB-DTWKUNHWSA-N -1 1 259.317 1.424 20 0 CDADMM CCC[C@@H]1C[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590653870 1173483488 /nfs/dbraw/zinc/48/34/88/1173483488.db2.gz ONUWTKZVBOEJGA-PSASIEDQSA-N -1 1 291.380 1.981 20 0 CDADMM CCN(C(=O)c1coc(-c2nnn[n-]2)c1)C1CCCC1 ZINC001590676515 1173486199 /nfs/dbraw/zinc/48/61/99/1173486199.db2.gz QQHCNUWGLIXZAX-UHFFFAOYSA-N -1 1 275.312 1.864 20 0 CDADMM CCN(C(=O)c1coc(-c2nn[n-]n2)c1)C1CCCC1 ZINC001590676515 1173486205 /nfs/dbraw/zinc/48/62/05/1173486205.db2.gz QQHCNUWGLIXZAX-UHFFFAOYSA-N -1 1 275.312 1.864 20 0 CDADMM CCN(C(=O)c1coc(-c2nnn[n-]2)c1)[C@H]1CCCOC1 ZINC001590676020 1173487601 /nfs/dbraw/zinc/48/76/01/1173487601.db2.gz FYPQSHHVGNSHAG-JTQLQIEISA-N -1 1 291.311 1.101 20 0 CDADMM CCN(C(=O)c1coc(-c2nn[n-]n2)c1)[C@H]1CCCOC1 ZINC001590676020 1173487605 /nfs/dbraw/zinc/48/76/05/1173487605.db2.gz FYPQSHHVGNSHAG-JTQLQIEISA-N -1 1 291.311 1.101 20 0 CDADMM CCN(CC(C)C)c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001590681328 1173490166 /nfs/dbraw/zinc/49/01/66/1173490166.db2.gz UHXFUQUMVWRBOB-UHFFFAOYSA-N -1 1 261.333 1.447 20 0 CDADMM CCN(CCOC)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590715879 1173496913 /nfs/dbraw/zinc/49/69/13/1173496913.db2.gz WOTNWMFSXTWFNB-UHFFFAOYSA-N -1 1 281.341 1.037 20 0 CDADMM CCOCC(C)(C)CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590799586 1173514295 /nfs/dbraw/zinc/51/42/95/1173514295.db2.gz FMQXQCMSHLDMKO-UHFFFAOYSA-N -1 1 293.327 1.252 20 0 CDADMM CCOCC(C)(C)CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590799586 1173514297 /nfs/dbraw/zinc/51/42/97/1173514297.db2.gz FMQXQCMSHLDMKO-UHFFFAOYSA-N -1 1 293.327 1.252 20 0 CDADMM CCO[C@H]1CCN(C(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001590821478 1173522512 /nfs/dbraw/zinc/52/25/12/1173522512.db2.gz RBZYXWMHZYDGCZ-QMMMGPOBSA-N -1 1 293.352 1.179 20 0 CDADMM CCO[C@H]1CCN(C(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001590821478 1173522519 /nfs/dbraw/zinc/52/25/19/1173522519.db2.gz RBZYXWMHZYDGCZ-QMMMGPOBSA-N -1 1 293.352 1.179 20 0 CDADMM CCc1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)nc1 ZINC001590890380 1173535154 /nfs/dbraw/zinc/53/51/54/1173535154.db2.gz GNGSATMQDXWABD-UHFFFAOYSA-N -1 1 284.279 1.669 20 0 CDADMM CCc1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)nc1 ZINC001590890380 1173535158 /nfs/dbraw/zinc/53/51/58/1173535158.db2.gz GNGSATMQDXWABD-UHFFFAOYSA-N -1 1 284.279 1.669 20 0 CDADMM CCc1cnc(CNc2cccc(-c3nnn[n-]3)n2)o1 ZINC001590900474 1173538685 /nfs/dbraw/zinc/53/86/85/1173538685.db2.gz SWMUAYSOSLNUOX-UHFFFAOYSA-N -1 1 271.284 1.424 20 0 CDADMM CCc1cnc(CNc2cccc(-c3nn[n-]n3)n2)o1 ZINC001590900474 1173538690 /nfs/dbraw/zinc/53/86/90/1173538690.db2.gz SWMUAYSOSLNUOX-UHFFFAOYSA-N -1 1 271.284 1.424 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H]2C(C)C)n1 ZINC001590906762 1173539154 /nfs/dbraw/zinc/53/91/54/1173539154.db2.gz XARBLLALWPWXAB-JTQLQIEISA-N -1 1 273.344 1.454 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H]2C(C)C)n1 ZINC001590906762 1173539159 /nfs/dbraw/zinc/53/91/59/1173539159.db2.gz XARBLLALWPWXAB-JTQLQIEISA-N -1 1 273.344 1.454 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H](C)[C@@H](C)C2)n1 ZINC001590904424 1173539559 /nfs/dbraw/zinc/53/95/59/1173539559.db2.gz BRNPCMCHRBPBMP-IUCAKERBSA-N -1 1 273.344 1.311 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H](C)[C@@H](C)C2)n1 ZINC001590904424 1173539565 /nfs/dbraw/zinc/53/95/65/1173539565.db2.gz BRNPCMCHRBPBMP-IUCAKERBSA-N -1 1 273.344 1.311 20 0 CDADMM CCc1nc(NCc2ncc(C)o2)cc(-c2nnn[n-]2)n1 ZINC001590922912 1173543635 /nfs/dbraw/zinc/54/36/35/1173543635.db2.gz XWKCXVKMQFTKQN-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CCc1nc(NCc2ncc(C)o2)cc(-c2nn[n-]n2)n1 ZINC001590922912 1173543638 /nfs/dbraw/zinc/54/36/38/1173543638.db2.gz XWKCXVKMQFTKQN-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CCc1nocc1COc1ccc(F)nc1-c1nn[n-]n1 ZINC001590937033 1173547980 /nfs/dbraw/zinc/54/79/80/1173547980.db2.gz WRAJPTDRWCZTPB-UHFFFAOYSA-N -1 1 290.258 1.530 20 0 CDADMM CO[C@H](C)CN(C)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC001591323056 1173609835 /nfs/dbraw/zinc/60/98/35/1173609835.db2.gz LXXIRJCYOKNOBK-SECBINFHSA-N -1 1 299.338 1.281 20 0 CDADMM CO[C@H](C)CN(C)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC001591323056 1173609839 /nfs/dbraw/zinc/60/98/39/1173609839.db2.gz LXXIRJCYOKNOBK-SECBINFHSA-N -1 1 299.338 1.281 20 0 CDADMM CO[C@@H](CNc1cc(-c2nnn[n-]2)ncn1)CC(C)C ZINC001591329318 1173615396 /nfs/dbraw/zinc/61/53/96/1173615396.db2.gz OXKHHAYUOAFHKE-SECBINFHSA-N -1 1 277.332 1.130 20 0 CDADMM CO[C@@H](CNc1cc(-c2nn[n-]n2)ncn1)CC(C)C ZINC001591329318 1173615400 /nfs/dbraw/zinc/61/54/00/1173615400.db2.gz OXKHHAYUOAFHKE-SECBINFHSA-N -1 1 277.332 1.130 20 0 CDADMM CO[C@@]1(C)CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001591338800 1173617145 /nfs/dbraw/zinc/61/71/45/1173617145.db2.gz NORCIDWYOZAGFM-ZDUSSCGKSA-N -1 1 289.343 1.052 20 0 CDADMM COC1CCN(C(=O)c2cc(-c3nnn[n-]3)oc2C)CC1 ZINC001591358693 1173629176 /nfs/dbraw/zinc/62/91/76/1173629176.db2.gz YIIRQDHLWCVCOP-UHFFFAOYSA-N -1 1 291.311 1.019 20 0 CDADMM COC1CCN(C(=O)c2cc(-c3nn[n-]n3)oc2C)CC1 ZINC001591358693 1173629179 /nfs/dbraw/zinc/62/91/79/1173629179.db2.gz YIIRQDHLWCVCOP-UHFFFAOYSA-N -1 1 291.311 1.019 20 0 CDADMM CO[C@@H]1CCC[C@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591468985 1173656208 /nfs/dbraw/zinc/65/62/08/1173656208.db2.gz AHSQWZYLGSVTGI-RKDXNWHRSA-N -1 1 293.352 1.226 20 0 CDADMM COc1ccc2c(c1)CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001591626630 1173676892 /nfs/dbraw/zinc/67/68/92/1173676892.db2.gz AVYQKQNZHXVKRI-UHFFFAOYSA-N -1 1 295.306 1.186 20 0 CDADMM COc1ccc2c(c1)CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001591626630 1173676894 /nfs/dbraw/zinc/67/68/94/1173676894.db2.gz AVYQKQNZHXVKRI-UHFFFAOYSA-N -1 1 295.306 1.186 20 0 CDADMM Cc1cc(N(C)CCCOC(C)C)cc(-c2nnn[n-]2)n1 ZINC001591996535 1173767989 /nfs/dbraw/zinc/76/79/89/1173767989.db2.gz SAIMKQODFHBENS-UHFFFAOYSA-N -1 1 290.371 1.821 20 0 CDADMM Cc1cc(N(C)CCCOC(C)C)cc(-c2nn[n-]n2)n1 ZINC001591996535 1173767995 /nfs/dbraw/zinc/76/79/95/1173767995.db2.gz SAIMKQODFHBENS-UHFFFAOYSA-N -1 1 290.371 1.821 20 0 CDADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)ccc1O ZINC001592029771 1173776985 /nfs/dbraw/zinc/77/69/85/1173776985.db2.gz MJFFOFYKDXCSLL-UHFFFAOYSA-N -1 1 285.263 1.726 20 0 CDADMM Cc1cc(N[C@H](C)c2csnn2)nc(-c2nnn[n-]2)c1 ZINC001592035300 1173778487 /nfs/dbraw/zinc/77/84/87/1173778487.db2.gz UUZJILXCEKRMIC-SSDOTTSWSA-N -1 1 288.340 1.595 20 0 CDADMM Cc1cc(N[C@H](C)C[C@@H]2CCOC2)nc(-c2nnn[n-]2)c1 ZINC001592034509 1173778604 /nfs/dbraw/zinc/77/86/04/1173778604.db2.gz RIJIWEGHQRPTCK-MNOVXSKESA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(N[C@H](C)C[C@@H]2CCOC2)nc(-c2nn[n-]n2)c1 ZINC001592034509 1173778607 /nfs/dbraw/zinc/77/86/07/1173778607.db2.gz RIJIWEGHQRPTCK-MNOVXSKESA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(NC[C@@H](O)C2CCC2)cc(-c2nnn[n-]2)n1 ZINC001592042138 1173784117 /nfs/dbraw/zinc/78/41/17/1173784117.db2.gz ZOZDFBJOELLNJU-GFCCVEGCSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cc(NC[C@@H](O)C2CCC2)cc(-c2nn[n-]n2)n1 ZINC001592042138 1173784121 /nfs/dbraw/zinc/78/41/21/1173784121.db2.gz ZOZDFBJOELLNJU-GFCCVEGCSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H]1CCC[C@@H](O)C1 ZINC001592114680 1173806425 /nfs/dbraw/zinc/80/64/25/1173806425.db2.gz SYCQWCWXUQWWQM-GHMZBOCLSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(CNc2ncncc2-c2nn[n-]n2)nc1C ZINC001592167909 1173821393 /nfs/dbraw/zinc/82/13/93/1173821393.db2.gz VQKKOOBUGFOMLA-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1cccc2c1CN(c1cc(-c3nnn[n-]3)ncn1)CC2 ZINC001592244633 1173834994 /nfs/dbraw/zinc/83/49/94/1173834994.db2.gz DFNNWGGDNGDQOP-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM Cc1cccc2c1CN(c1cc(-c3nn[n-]n3)ncn1)CC2 ZINC001592244633 1173834997 /nfs/dbraw/zinc/83/49/97/1173834997.db2.gz DFNNWGGDNGDQOP-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM Cc1ccoc1CC(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001592280013 1173846624 /nfs/dbraw/zinc/84/66/24/1173846624.db2.gz GXSJFQFHGQRKJP-UHFFFAOYSA-N -1 1 298.306 1.369 20 0 CDADMM Cc1ccoc1CC(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001592280013 1173846627 /nfs/dbraw/zinc/84/66/27/1173846627.db2.gz GXSJFQFHGQRKJP-UHFFFAOYSA-N -1 1 298.306 1.369 20 0 CDADMM Cc1ccoc1CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001592284308 1173847132 /nfs/dbraw/zinc/84/71/32/1173847132.db2.gz VROUQBYIHAJHAL-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1ccoc1CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001592284308 1173847136 /nfs/dbraw/zinc/84/71/36/1173847136.db2.gz VROUQBYIHAJHAL-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1csc(Cn2ccn3ncc(-c4nn[n-]n4)c23)n1 ZINC001592315364 1173848741 /nfs/dbraw/zinc/84/87/41/1173848741.db2.gz JMGHKZRCESHBRR-UHFFFAOYSA-N -1 1 286.324 1.129 20 0 CDADMM Cc1conc1Cn1c(C)c(C)nc1-c1nnn[n-]1 ZINC001592311900 1173851789 /nfs/dbraw/zinc/85/17/89/1173851789.db2.gz IXWGYJBLNAOVGQ-UHFFFAOYSA-N -1 1 259.273 1.025 20 0 CDADMM Cc1conc1Cn1c(C)c(C)nc1-c1nn[n-]n1 ZINC001592311900 1173851793 /nfs/dbraw/zinc/85/17/93/1173851793.db2.gz IXWGYJBLNAOVGQ-UHFFFAOYSA-N -1 1 259.273 1.025 20 0 CDADMM Cc1csc(CNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001592315761 1173855180 /nfs/dbraw/zinc/85/51/80/1173855180.db2.gz ZLZZFKMSQMJGKO-UHFFFAOYSA-N -1 1 272.337 1.666 20 0 CDADMM Cc1csc(CNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001592315761 1173855185 /nfs/dbraw/zinc/85/51/85/1173855185.db2.gz ZLZZFKMSQMJGKO-UHFFFAOYSA-N -1 1 272.337 1.666 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@H]2CCO[C@H]2C)c1C ZINC001592339549 1173863142 /nfs/dbraw/zinc/86/31/42/1173863142.db2.gz OWAUSFQJBXYRMM-VHSXEESVSA-N -1 1 262.317 1.105 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@H]2CCO[C@H]2C)c1C ZINC001592339549 1173863147 /nfs/dbraw/zinc/86/31/47/1173863147.db2.gz OWAUSFQJBXYRMM-VHSXEESVSA-N -1 1 262.317 1.105 20 0 CDADMM Cc1nc(NCC2(C)CCCC2)cc(-c2nnn[n-]2)n1 ZINC001592385800 1173877522 /nfs/dbraw/zinc/87/75/22/1173877522.db2.gz HTGSSQKWBCDWJB-UHFFFAOYSA-N -1 1 273.344 1.957 20 0 CDADMM Cc1nc(NCC2(C)CCCC2)cc(-c2nn[n-]n2)n1 ZINC001592385800 1173877531 /nfs/dbraw/zinc/87/75/31/1173877531.db2.gz HTGSSQKWBCDWJB-UHFFFAOYSA-N -1 1 273.344 1.957 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@H](C)C(F)(F)F ZINC001592500926 1173907614 /nfs/dbraw/zinc/90/76/14/1173907614.db2.gz DVJDQSIJZSYTLG-RXMQYKEDSA-N -1 1 290.201 1.876 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@H](C)C(F)(F)F ZINC001592500926 1173907618 /nfs/dbraw/zinc/90/76/18/1173907618.db2.gz DVJDQSIJZSYTLG-RXMQYKEDSA-N -1 1 290.201 1.876 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCCC12CC2 ZINC001592500276 1173909248 /nfs/dbraw/zinc/90/92/48/1173909248.db2.gz WLTRIPRXUVNTKN-LLVKDONJSA-N -1 1 287.323 1.831 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCCC12CC2 ZINC001592500276 1173909253 /nfs/dbraw/zinc/90/92/53/1173909253.db2.gz WLTRIPRXUVNTKN-LLVKDONJSA-N -1 1 287.323 1.831 20 0 CDADMM FC(F)C1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001592625720 1173934061 /nfs/dbraw/zinc/93/40/61/1173934061.db2.gz ZUAVNTGWVCXONZ-UHFFFAOYSA-N -1 1 281.270 1.068 20 0 CDADMM Fc1cccc(F)c1CCCn1cnc(-c2nn[n-]n2)n1 ZINC001592656595 1173955413 /nfs/dbraw/zinc/95/54/13/1173955413.db2.gz FDXUMHFTDMKTJI-UHFFFAOYSA-N -1 1 291.265 1.369 20 0 CDADMM O=C(N[C@@H](C1CC1)C1CCC1)c1coc(-c2nnn[n-]2)c1 ZINC001592949501 1174006445 /nfs/dbraw/zinc/00/64/45/1174006445.db2.gz CIDNFMDWZLRSRV-GFCCVEGCSA-N -1 1 287.323 1.768 20 0 CDADMM O=C(N[C@@H](C1CC1)C1CCC1)c1coc(-c2nn[n-]n2)c1 ZINC001592949501 1174006450 /nfs/dbraw/zinc/00/64/50/1174006450.db2.gz CIDNFMDWZLRSRV-GFCCVEGCSA-N -1 1 287.323 1.768 20 0 CDADMM O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)c1ccc(-c2nnn[n-]2)o1 ZINC001592970982 1174009261 /nfs/dbraw/zinc/00/92/61/1174009261.db2.gz FNMKOMGFTUEBGW-XHNCKOQMSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)c1ccc(-c2nn[n-]n2)o1 ZINC001592970982 1174009267 /nfs/dbraw/zinc/00/92/67/1174009267.db2.gz FNMKOMGFTUEBGW-XHNCKOQMSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(N[C@@H]1C=CCC1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001592966022 1174009284 /nfs/dbraw/zinc/00/92/84/1174009284.db2.gz RFQKIJVIDPTJAG-MRVPVSSYSA-N -1 1 291.261 1.593 20 0 CDADMM O=C(N[C@@H]1C=CCC1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001592966022 1174009288 /nfs/dbraw/zinc/00/92/88/1174009288.db2.gz RFQKIJVIDPTJAG-MRVPVSSYSA-N -1 1 291.261 1.593 20 0 CDADMM O=C(NO[C@H]1CCCCO1)c1csc(-c2nn[n-]n2)c1 ZINC001593166402 1174025645 /nfs/dbraw/zinc/02/56/45/1174025645.db2.gz JJPHBLTVQSSRLP-VIFPVBQESA-N -1 1 295.324 1.116 20 0 CDADMM O=C(N[C@@H]1CCCC[C@H]1F)c1ccc(-c2nnn[n-]2)o1 ZINC001593173769 1174028442 /nfs/dbraw/zinc/02/84/42/1174028442.db2.gz MWHWZQYDAPEEQG-HTQZYQBOSA-N -1 1 279.275 1.470 20 0 CDADMM O=C(N[C@@H]1CCCC[C@H]1F)c1ccc(-c2nn[n-]n2)o1 ZINC001593173769 1174028446 /nfs/dbraw/zinc/02/84/46/1174028446.db2.gz MWHWZQYDAPEEQG-HTQZYQBOSA-N -1 1 279.275 1.470 20 0 CDADMM O=C([N-]Oc1cccc(-c2nn[nH]n2)c1)[C@@H]1CC=CCC1 ZINC001593171276 1174028668 /nfs/dbraw/zinc/02/86/68/1174028668.db2.gz SLEPKHZKOJZHQR-SNVBAGLBSA-N -1 1 285.307 1.633 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)NC1(C2CC2)CC1 ZINC001593243218 1174036434 /nfs/dbraw/zinc/03/64/34/1174036434.db2.gz AHLVCRWGGDVBRA-UHFFFAOYSA-N -1 1 285.311 1.326 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)NC1(C2CC2)CC1 ZINC001593243218 1174036438 /nfs/dbraw/zinc/03/64/38/1174036438.db2.gz AHLVCRWGGDVBRA-UHFFFAOYSA-N -1 1 285.311 1.326 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)C(F)=C1CCCC1 ZINC001593259543 1174042726 /nfs/dbraw/zinc/04/27/26/1174042726.db2.gz BPEDPUYXIUGEJY-UHFFFAOYSA-N -1 1 277.263 1.326 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001593261605 1174043230 /nfs/dbraw/zinc/04/32/30/1174043230.db2.gz XOBCXQCGSBZJJC-HRDYMLBCSA-N -1 1 285.311 1.131 20 0 CDADMM O=C(Nc1nncs1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593270140 1174046815 /nfs/dbraw/zinc/04/68/15/1174046815.db2.gz WVUZKQHSQYFCAM-UHFFFAOYSA-N -1 1 291.271 1.110 20 0 CDADMM O=C(OC[C@H]1CC1(F)F)c1ccc(-c2nn[n-]n2)o1 ZINC001593285766 1174051567 /nfs/dbraw/zinc/05/15/67/1174051567.db2.gz YGOORCOFUYWMON-RXMQYKEDSA-N -1 1 270.195 1.272 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCc2ccccc2C1 ZINC001593338788 1174067505 /nfs/dbraw/zinc/06/75/05/1174067505.db2.gz GOXHYZDKOBTRJA-UHFFFAOYSA-N -1 1 295.302 1.658 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCc2ccccc2C1 ZINC001593338788 1174067512 /nfs/dbraw/zinc/06/75/12/1174067512.db2.gz GOXHYZDKOBTRJA-UHFFFAOYSA-N -1 1 295.302 1.658 20 0 CDADMM O=C1OCc2c1cccc2NCc1ccc(-c2nnn[n-]2)o1 ZINC001593413381 1174075751 /nfs/dbraw/zinc/07/57/51/1174075751.db2.gz RKQHMQCHXQIYEF-UHFFFAOYSA-N -1 1 297.274 1.742 20 0 CDADMM O=C1OCc2c1cccc2NCc1ccc(-c2nn[n-]n2)o1 ZINC001593413381 1174075760 /nfs/dbraw/zinc/07/57/60/1174075760.db2.gz RKQHMQCHXQIYEF-UHFFFAOYSA-N -1 1 297.274 1.742 20 0 CDADMM O=C1CC[C@H](COc2cccc(F)c2-c2nnn[n-]2)O1 ZINC001593391651 1174076902 /nfs/dbraw/zinc/07/69/02/1174076902.db2.gz SYLROLIUHRWCHD-SSDOTTSWSA-N -1 1 278.243 1.090 20 0 CDADMM O=C1CC[C@H](COc2cccc(F)c2-c2nn[n-]n2)O1 ZINC001593391651 1174076908 /nfs/dbraw/zinc/07/69/08/1174076908.db2.gz SYLROLIUHRWCHD-SSDOTTSWSA-N -1 1 278.243 1.090 20 0 CDADMM OCC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccco1 ZINC001593528137 1174102930 /nfs/dbraw/zinc/10/29/30/1174102930.db2.gz FKRKOUHHPXKTMR-SECBINFHSA-N -1 1 286.295 1.390 20 0 CDADMM OCC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccco1 ZINC001593528137 1174102935 /nfs/dbraw/zinc/10/29/35/1174102935.db2.gz FKRKOUHHPXKTMR-SECBINFHSA-N -1 1 286.295 1.390 20 0 CDADMM Oc1ccccc1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001593539684 1174109063 /nfs/dbraw/zinc/10/90/63/1174109063.db2.gz CAAMHUWBZHYLMU-UHFFFAOYSA-N -1 1 283.295 1.017 20 0 CDADMM Oc1ccccc1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001593539684 1174109068 /nfs/dbraw/zinc/10/90/68/1174109068.db2.gz CAAMHUWBZHYLMU-UHFFFAOYSA-N -1 1 283.295 1.017 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC[C@H]1CCCSC1 ZINC001593551049 1174124336 /nfs/dbraw/zinc/12/43/36/1174124336.db2.gz GCPHTNRBZDCTPP-MRVPVSSYSA-N -1 1 277.357 1.212 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC[C@H]1CCCSC1 ZINC001593551049 1174124340 /nfs/dbraw/zinc/12/43/40/1174124340.db2.gz GCPHTNRBZDCTPP-MRVPVSSYSA-N -1 1 277.357 1.212 20 0 CDADMM c1cc(N(CCC2CC2)CC2CC2)nc(-c2nn[n-]n2)n1 ZINC001593557227 1174130896 /nfs/dbraw/zinc/13/08/96/1174130896.db2.gz ISSXITZWETWWNT-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM c1[nH]nc(NC[C@@H]2C[C@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC001593577192 1174144774 /nfs/dbraw/zinc/14/47/74/1174144774.db2.gz AEPNIQQDEBVUNN-QWRGUYRKSA-N -1 1 281.323 1.805 20 0 CDADMM c1[nH]nc(NC[C@@H]2C[C@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC001593577192 1174144776 /nfs/dbraw/zinc/14/47/76/1174144776.db2.gz AEPNIQQDEBVUNN-QWRGUYRKSA-N -1 1 281.323 1.805 20 0 CDADMM c1ccc(CCNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001593575247 1174144806 /nfs/dbraw/zinc/14/48/06/1174144806.db2.gz LLPOHEYYPVDAGY-UHFFFAOYSA-N -1 1 267.296 1.311 20 0 CDADMM c1ccc(CCNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001593575247 1174144809 /nfs/dbraw/zinc/14/48/09/1174144809.db2.gz LLPOHEYYPVDAGY-UHFFFAOYSA-N -1 1 267.296 1.311 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OCCOCC2CCC2)c1 ZINC001593585445 1174153088 /nfs/dbraw/zinc/15/30/88/1174153088.db2.gz SZVLUMLHHFICOU-UHFFFAOYSA-N -1 1 275.312 1.457 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OCCOCC2CCC2)c1 ZINC001593585445 1174153090 /nfs/dbraw/zinc/15/30/90/1174153090.db2.gz SZVLUMLHHFICOU-UHFFFAOYSA-N -1 1 275.312 1.457 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CCC[C@@H]3CCC[C@@H]32)n1 ZINC001593590105 1174157440 /nfs/dbraw/zinc/15/74/40/1174157440.db2.gz GGUZKISCGKXVPA-ONGXEEELSA-N -1 1 271.328 1.426 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CCC[C@@H]3CCC[C@@H]32)n1 ZINC001593590105 1174157442 /nfs/dbraw/zinc/15/74/42/1174157442.db2.gz GGUZKISCGKXVPA-ONGXEEELSA-N -1 1 271.328 1.426 20 0 CDADMM c1cc(Oc2ncncc2-c2nnn[n-]2)cc2c1CCC2 ZINC001593594634 1174163004 /nfs/dbraw/zinc/16/30/04/1174163004.db2.gz DNDNSSJDXSOLJH-UHFFFAOYSA-N -1 1 280.291 1.938 20 0 CDADMM c1cc(Oc2ncncc2-c2nn[n-]n2)cc2c1CCC2 ZINC001593594634 1174163009 /nfs/dbraw/zinc/16/30/09/1174163009.db2.gz DNDNSSJDXSOLJH-UHFFFAOYSA-N -1 1 280.291 1.938 20 0 CDADMM c1sc(Cn2cc(C3CCC3)nn2)nc1-c1nnn[n-]1 ZINC001593595593 1174164499 /nfs/dbraw/zinc/16/44/99/1174164499.db2.gz XIXVRVPQPSRBCT-UHFFFAOYSA-N -1 1 288.340 1.231 20 0 CDADMM c1sc(Cn2cc(C3CCC3)nn2)nc1-c1nn[n-]n1 ZINC001593595593 1174164503 /nfs/dbraw/zinc/16/45/03/1174164503.db2.gz XIXVRVPQPSRBCT-UHFFFAOYSA-N -1 1 288.340 1.231 20 0 CDADMM Cc1c(NCc2ccc3nc[nH]c3c2)cnn1CC(=O)[O-] ZINC001600051049 1174347720 /nfs/dbraw/zinc/34/77/20/1174347720.db2.gz NRMPXLWMVLKBGZ-UHFFFAOYSA-N -1 1 285.307 1.765 20 0 CDADMM Cc1cc(C(=O)N2CCC[C@H]2c2nnc[nH]2)oc1C(=O)[O-] ZINC001600083262 1174356338 /nfs/dbraw/zinc/35/63/38/1174356338.db2.gz LZRHHZDXHKNRPK-QMMMGPOBSA-N -1 1 290.279 1.382 20 0 CDADMM Cc1ccccc1[C@H](N)C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001600571047 1174510624 /nfs/dbraw/zinc/51/06/24/1174510624.db2.gz DVWFJAUTMZXOKV-BJJPWKGXSA-N -1 1 288.347 1.220 20 0 CDADMM Cc1[nH+]c(N2C[C@H](C(=O)[O-])CC[C@@H]2C)ccc1C(=O)[O-] ZINC001600709405 1174574603 /nfs/dbraw/zinc/57/46/03/1174574603.db2.gz LVMFKEGQJAFNLL-WCBMZHEXSA-N -1 1 278.308 1.778 20 0 CDADMM Cc1nccc(N2CC[C@@](O)(C(=O)[O-])C2)c1Cl ZINC001600751038 1174589686 /nfs/dbraw/zinc/58/96/86/1174589686.db2.gz RCINWWZUCHDPAA-NSHDSACASA-N -1 1 256.689 1.069 20 0 CDADMM Cc1ncccc1CN1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001600752732 1174590906 /nfs/dbraw/zinc/59/09/06/1174590906.db2.gz RKASTXAWHVESKR-GFCCVEGCSA-N -1 1 287.323 1.127 20 0 CDADMM Cn1c(CNCc2cccc(O)c2)ccc1C(=O)[O-] ZINC001600916674 1174663466 /nfs/dbraw/zinc/66/34/66/1174663466.db2.gz WQVWKFCGDIADJW-UHFFFAOYSA-N -1 1 260.293 1.719 20 0 CDADMM O=C([O-])[C@@]1(C(=O)NCCN2CCC2)C[C@@H]1c1ccccc1 ZINC001601700877 1174955017 /nfs/dbraw/zinc/95/50/17/1174955017.db2.gz OGTKAVCVSIICBY-CJNGLKHVSA-N -1 1 288.347 1.067 20 0 CDADMM O=C([O-])[C@@H]1[C@@H](O)CCCN1CCOCC1CCCC1 ZINC001601750028 1174983794 /nfs/dbraw/zinc/98/37/94/1174983794.db2.gz CDXLNAYVYDWRPJ-STQMWFEESA-N -1 1 271.357 1.103 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](O)CN1Cc1cncc2ccccc21 ZINC001601772500 1174999595 /nfs/dbraw/zinc/99/95/95/1174999595.db2.gz KOMVAOVGHWONLZ-JSGCOSHPSA-N -1 1 272.304 1.255 20 0 CDADMM O=C([O-])[C@@H]1CC[C@H](NCc2nc(C(F)F)no2)C1 ZINC001601796213 1175009951 /nfs/dbraw/zinc/00/99/51/1175009951.db2.gz NTYUYOUUQGPWDV-RITPCOANSA-N -1 1 261.228 1.350 20 0 CDADMM 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Nc1ncccc1CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000652470204 424464662 /nfs/dbraw/zinc/46/46/62/424464662.db2.gz QMMRMULAGGDVAH-AWEZNQCLSA-N -1 1 283.331 1.848 20 0 CDADMM CC(C)(C)c1nnc(CN(CCC(=O)[O-])CC2CC2)[nH]1 ZINC000652466713 424465544 /nfs/dbraw/zinc/46/55/44/424465544.db2.gz KLTJCANRTQMAAF-UHFFFAOYSA-N -1 1 280.372 1.789 20 0 CDADMM CC(C)(C)OCCCN1CCOC[C@@H]1CC(=O)[O-] ZINC000652475856 424470873 /nfs/dbraw/zinc/47/08/73/424470873.db2.gz KBKLHOAEALSBDS-NSHDSACASA-N -1 1 259.346 1.367 20 0 CDADMM CN(Cc1ccc(C(=O)[O-])c(F)c1)C[C@@H]1COCCO1 ZINC000659789471 424569167 /nfs/dbraw/zinc/56/91/67/424569167.db2.gz IZSFXWASCKUOFA-LLVKDONJSA-N -1 1 283.299 1.371 20 0 CDADMM CC1(CCOC(=O)c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590128342 1173265844 /nfs/dbraw/zinc/26/58/44/1173265844.db2.gz WDUYRULRVMEKLR-UHFFFAOYSA-N -1 1 273.296 1.609 20 0 CDADMM C[C@@]1(COC(=O)c2ccnc(-c3nnn[n-]3)c2)CC1(F)F ZINC001590139173 1173269301 /nfs/dbraw/zinc/26/93/01/1173269301.db2.gz IUMUUHWQPJTEAY-NSHDSACASA-N -1 1 295.249 1.464 20 0 CDADMM C[C@@]1(COC(=O)c2ccnc(-c3nn[n-]n3)c2)CC1(F)F ZINC001590139173 1173269306 /nfs/dbraw/zinc/26/93/06/1173269306.db2.gz IUMUUHWQPJTEAY-NSHDSACASA-N -1 1 295.249 1.464 20 0 CDADMM CO[C@H]1CC[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000191019759 270287740 /nfs/dbraw/zinc/28/77/40/270287740.db2.gz CWPKJKQCMKMKCC-UWVGGRQHSA-N -1 1 287.319 1.220 20 0 CDADMM C[C@@H]1CC[C@H](C)CN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590227828 1173304727 /nfs/dbraw/zinc/30/47/27/1173304727.db2.gz RYVBJAAXUBHWOF-DTWKUNHWSA-N -1 1 275.312 1.720 20 0 CDADMM C[C@H]1CCCC[C@@H]1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001590254605 1173323505 /nfs/dbraw/zinc/32/35/05/1173323505.db2.gz XOWXXPFKCFLLRR-DTWKUNHWSA-N -1 1 261.333 1.828 20 0 CDADMM C[C@H]1CCCC[C@@H]1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001590254605 1173323513 /nfs/dbraw/zinc/32/35/13/1173323513.db2.gz XOWXXPFKCFLLRR-DTWKUNHWSA-N -1 1 261.333 1.828 20 0 CDADMM C[C@H]1CCN1c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590277524 1173337568 /nfs/dbraw/zinc/33/75/68/1173337568.db2.gz SUTAMYUPGVGFDP-ZETCQYMHSA-N -1 1 257.301 1.133 20 0 CDADMM C[C@@H]1CSC[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC001590329809 1173361067 /nfs/dbraw/zinc/36/10/67/1173361067.db2.gz RVOGFOGFZWZQCU-VXNVDRBHSA-N -1 1 262.342 1.425 20 0 CDADMM C[C@@H]1CSC[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC001590329809 1173361074 /nfs/dbraw/zinc/36/10/74/1173361074.db2.gz RVOGFOGFZWZQCU-VXNVDRBHSA-N -1 1 262.342 1.425 20 0 CDADMM CC[C@@H](C)[C@H](OC)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001590403826 1173392861 /nfs/dbraw/zinc/39/28/61/1173392861.db2.gz XBQWBLNMDFNOEG-SVRRBLITSA-N -1 1 296.356 1.323 20 0 CDADMM CC[C@@H](C)[C@H](OC)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001590403826 1173392865 /nfs/dbraw/zinc/39/28/65/1173392865.db2.gz XBQWBLNMDFNOEG-SVRRBLITSA-N -1 1 296.356 1.323 20 0 CDADMM CC(C)c1nn(C)cc1C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000283053022 278092708 /nfs/dbraw/zinc/09/27/08/278092708.db2.gz HUWUYKZGFAIPQY-PDGQHHTCSA-N -1 1 298.350 1.451 20 0 CDADMM C[C@@H]1CN(C(=O)c2cc(F)ccc2[O-])CC[C@H]1O ZINC000159239116 288018500 /nfs/dbraw/zinc/01/85/00/288018500.db2.gz JZLDKUOBHSYSRN-LDYMZIIASA-N -1 1 253.273 1.374 20 0 CDADMM CC[C@@H](C)OCC(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001590416975 1173403193 /nfs/dbraw/zinc/40/31/93/1173403193.db2.gz RIJHHLGGAGETQI-MRVPVSSYSA-N -1 1 280.284 1.318 20 0 CDADMM CC[C@@H](C)OCC(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001590416975 1173403197 /nfs/dbraw/zinc/40/31/97/1173403197.db2.gz RIJHHLGGAGETQI-MRVPVSSYSA-N -1 1 280.284 1.318 20 0 CDADMM C[C@H](NC(=O)c1cnn[nH]1)c1ccc(Cl)cc1 ZINC000108285270 279304034 /nfs/dbraw/zinc/30/40/34/279304034.db2.gz AAKLMYNDJPNXMP-ZETCQYMHSA-N -1 1 250.689 1.949 20 0 CDADMM C[C@H](CNC(=O)c1c([O-])cccc1F)Cn1cccn1 ZINC000120258436 279380477 /nfs/dbraw/zinc/38/04/77/279380477.db2.gz IERWGBNOJLJTNW-SNVBAGLBSA-N -1 1 277.299 1.794 20 0 CDADMM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1cc(C)no1 ZINC000134289784 279770923 /nfs/dbraw/zinc/77/09/23/279770923.db2.gz HXKCXZNBWSYHRS-UHFFFAOYSA-N -1 1 293.279 1.962 20 0 CDADMM O=C(Nc1nnn[n-]1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000175488044 280069514 /nfs/dbraw/zinc/06/95/14/280069514.db2.gz OFHGEENPTXZJDN-FZMZJTMJSA-N -1 1 269.308 1.432 20 0 CDADMM O=C(Nc1nn[n-]n1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000175488044 280069515 /nfs/dbraw/zinc/06/95/15/280069515.db2.gz OFHGEENPTXZJDN-FZMZJTMJSA-N -1 1 269.308 1.432 20 0 CDADMM CC(C)NC(=O)[C@@H](C)NC(=O)c1cc(F)ccc1[O-] ZINC000229181620 280110671 /nfs/dbraw/zinc/11/06/71/280110671.db2.gz PGNBHPUINBUVAR-MRVPVSSYSA-N -1 1 268.288 1.174 20 0 CDADMM CCC(F)(F)CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590451723 1173413037 /nfs/dbraw/zinc/41/30/37/1173413037.db2.gz KNPPVMFZMTUUHS-UHFFFAOYSA-N -1 1 271.227 1.235 20 0 CDADMM CCC(F)(F)CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590451723 1173413042 /nfs/dbraw/zinc/41/30/42/1173413042.db2.gz KNPPVMFZMTUUHS-UHFFFAOYSA-N -1 1 271.227 1.235 20 0 CDADMM O=C([O-])[C@@H]1CN(CCCOCCc2ccccc2)CCO1 ZINC000521056186 281068185 /nfs/dbraw/zinc/06/81/85/281068185.db2.gz UDOPIURGPJMTEU-HNNXBMFYSA-N -1 1 293.363 1.421 20 0 CDADMM CC[C@H]1[C@H](C)CCN1C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000187420746 281274118 /nfs/dbraw/zinc/27/41/18/281274118.db2.gz AGXBTCGBFAONSR-SKDRFNHKSA-N -1 1 288.351 1.935 20 0 CDADMM O=C(NCC12CC(C1)CO2)c1ccc(Cl)cc1[O-] ZINC000529874463 281385733 /nfs/dbraw/zinc/38/57/33/281385733.db2.gz GAQCSCOKNGKRDJ-UHFFFAOYSA-N -1 1 267.712 1.954 20 0 CDADMM CC[C@H]1CO[C@@H](C)CN1C(=O)c1ncccc1[O-] ZINC000042451927 288328083 /nfs/dbraw/zinc/32/80/83/288328083.db2.gz WXNKXQVBHZKJDZ-UWVGGRQHSA-N -1 1 250.298 1.427 20 0 CDADMM CC[C@H]1CCCCN1C(=O)CNC1(C(=O)[O-])CCCC1 ZINC000532880996 282059880 /nfs/dbraw/zinc/05/98/80/282059880.db2.gz IYCIJZSZSSMDEG-LBPRGKRZSA-N -1 1 282.384 1.765 20 0 CDADMM O=S(=O)(Cc1cc(-c2ccccc2)on1)c1ncn[n-]1 ZINC000153040177 289155084 /nfs/dbraw/zinc/15/50/84/289155084.db2.gz IOHFFFFSFXNFHQ-UHFFFAOYSA-N -1 1 290.304 1.434 20 0 CDADMM O=S(=O)(Cc1cc(-c2ccccc2)on1)c1nc[n-]n1 ZINC000153040177 289155086 /nfs/dbraw/zinc/15/50/86/289155086.db2.gz IOHFFFFSFXNFHQ-UHFFFAOYSA-N -1 1 290.304 1.434 20 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GMYBBRRBMKIHSS-UHFFFAOYSA-N -1 1 291.340 1.794 20 0 CDADMM Cc1cnc(C(=O)N(C)[C@@H]2CCC[C@@H]2O)c([O-])c1 ZINC000341806444 302330929 /nfs/dbraw/zinc/33/09/29/302330929.db2.gz MLDWVWAEXWAIKU-ZJUUUORDSA-N -1 1 250.298 1.081 20 0 CDADMM FC(F)(F)c1nc(=N[C@@H]2C[C@@H]3OCCC[C@@H]23)s[n-]1 ZINC000367801704 303120855 /nfs/dbraw/zinc/12/08/55/303120855.db2.gz IVJYJNPHSFRZFM-XVMARJQXSA-N -1 1 279.287 1.958 20 0 CDADMM COC(=O)C[C@H](C)OC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001591269999 1173599364 /nfs/dbraw/zinc/59/93/64/1173599364.db2.gz RCZJIQVDRTVOJV-LURJTMIESA-N -1 1 296.308 1.037 20 0 CDADMM COC(=O)C[C@H](C)OC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591269999 1173599368 /nfs/dbraw/zinc/59/93/68/1173599368.db2.gz RCZJIQVDRTVOJV-LURJTMIESA-N -1 1 296.308 1.037 20 0 CDADMM CO[C@H](CNC(=O)c1ccsc1-c1nnn[n-]1)C(C)C ZINC001591329566 1173615409 /nfs/dbraw/zinc/61/54/09/1173615409.db2.gz MBHUQGYKTYFRMO-SECBINFHSA-N -1 1 295.368 1.329 20 0 CDADMM CO[C@H](CNC(=O)c1ccsc1-c1nn[n-]n1)C(C)C ZINC001591329566 1173615413 /nfs/dbraw/zinc/61/54/13/1173615413.db2.gz MBHUQGYKTYFRMO-SECBINFHSA-N -1 1 295.368 1.329 20 0 CDADMM COC[C@@H](CSCc1ccc(-c2nnn[n-]2)o1)OC ZINC001591378016 1173635470 /nfs/dbraw/zinc/63/54/70/1173635470.db2.gz WJMMZBWMYOIBIX-VIFPVBQESA-N -1 1 284.341 1.354 20 0 CDADMM COC[C@@H](CSCc1ccc(-c2nn[n-]n2)o1)OC ZINC001591378016 1173635476 /nfs/dbraw/zinc/63/54/76/1173635476.db2.gz WJMMZBWMYOIBIX-VIFPVBQESA-N -1 1 284.341 1.354 20 0 CDADMM CSCCCOC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591700456 1173689405 /nfs/dbraw/zinc/68/94/05/1173689405.db2.gz WVFXPWQPHFGCCI-UHFFFAOYSA-N -1 1 279.325 1.172 20 0 CDADMM CSCCCOC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591700456 1173689410 /nfs/dbraw/zinc/68/94/10/1173689410.db2.gz WVFXPWQPHFGCCI-UHFFFAOYSA-N -1 1 279.325 1.172 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC(C)(CC(F)F)C2)n1 ZINC001591883774 1173736785 /nfs/dbraw/zinc/73/67/85/1173736785.db2.gz FWMAFVXJCXEJDN-UHFFFAOYSA-N -1 1 295.297 1.447 20 0 CDADMM COc1ccc(C)nc1NC(=O)c1cncc([O-])c1 ZINC000175524218 315903109 /nfs/dbraw/zinc/90/31/09/315903109.db2.gz DHNCESWHARSOPQ-UHFFFAOYSA-N -1 1 259.265 1.752 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCCC[C@H]2C)n1 ZINC001591887977 1173740024 /nfs/dbraw/zinc/74/00/24/1173740024.db2.gz INUOERJGMIIWRK-SNVBAGLBSA-N -1 1 273.344 1.734 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCCC[C@H]2C)n1 ZINC001591887977 1173740028 /nfs/dbraw/zinc/74/00/28/1173740028.db2.gz INUOERJGMIIWRK-SNVBAGLBSA-N -1 1 273.344 1.734 20 0 CDADMM CN(C)C(=O)Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000350811382 316206703 /nfs/dbraw/zinc/20/67/03/316206703.db2.gz COPFCZQJWYXVFU-UHFFFAOYSA-N -1 1 281.699 1.726 20 0 CDADMM Cc1c(-c2nc(-c3ccc([O-])cc3F)no2)nnn1C ZINC000350816744 316207338 /nfs/dbraw/zinc/20/73/38/316207338.db2.gz VPTXGGDOYCWZCE-UHFFFAOYSA-N -1 1 275.243 1.685 20 0 CDADMM Cc1nc(C)c(Cn2c(C)c(C)nc2-c2nnn[n-]2)o1 ZINC001592357810 1173867944 /nfs/dbraw/zinc/86/79/44/1173867944.db2.gz ZFHFWEYDNATLMS-UHFFFAOYSA-N -1 1 273.300 1.333 20 0 CDADMM Cc1nc(C)c(Cn2c(C)c(C)nc2-c2nn[n-]n2)o1 ZINC001592357810 1173867949 /nfs/dbraw/zinc/86/79/49/1173867949.db2.gz ZFHFWEYDNATLMS-UHFFFAOYSA-N -1 1 273.300 1.333 20 0 CDADMM Cc1nc(NCc2cccs2)cc(-c2nnn[n-]2)n1 ZINC001592393662 1173879141 /nfs/dbraw/zinc/87/91/41/1173879141.db2.gz CIOCUHQYIOEPNF-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1nc(NCc2cccs2)cc(-c2nn[n-]n2)n1 ZINC001592393662 1173879145 /nfs/dbraw/zinc/87/91/45/1173879145.db2.gz CIOCUHQYIOEPNF-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM COC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000578512829 323953164 /nfs/dbraw/zinc/95/31/64/323953164.db2.gz APZDUWJCQRNFAQ-SSDOTTSWSA-N -1 1 293.291 1.195 20 0 CDADMM C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ncncc1C(=O)[O-] ZINC000579479149 324199006 /nfs/dbraw/zinc/19/90/06/324199006.db2.gz QFGSAOOSSDRHKG-PHIMTYICSA-N -1 1 278.356 1.272 20 0 CDADMM Cn1ccc(CCC(=O)Nc2n[n-]c(C(F)(F)F)n2)n1 ZINC000579666861 324245315 /nfs/dbraw/zinc/24/53/15/324245315.db2.gz IGAWKPKNGAOIMG-UHFFFAOYSA-N -1 1 288.233 1.128 20 0 CDADMM CC1(C)COc2ccc(C(=O)N=c3ccc(O)n[n-]3)cc21 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CCN1C[C@H](C)N(C(=O)[C@@H](NC(=O)[O-])C(C)C)C[C@H]1C ZINC000833655602 605173292 /nfs/dbraw/zinc/17/32/92/605173292.db2.gz FCRBXJFKNKWEDF-WOPDTQHZSA-N -1 1 285.388 1.220 20 0 CDADMM CCCc1nc(Cn2ccnc2-c2nnn[n-]2)cs1 ZINC000821141955 606654739 /nfs/dbraw/zinc/65/47/39/606654739.db2.gz AMDZODSVSQVCLG-UHFFFAOYSA-N -1 1 275.341 1.521 20 0 CDADMM CCCc1nc(Cn2ccnc2-c2nn[n-]n2)cs1 ZINC000821141955 606654740 /nfs/dbraw/zinc/65/47/40/606654740.db2.gz AMDZODSVSQVCLG-UHFFFAOYSA-N -1 1 275.341 1.521 20 0 CDADMM COC[C@@H](C)CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000821681967 606698176 /nfs/dbraw/zinc/69/81/76/606698176.db2.gz XBGBYOVLNBHILR-QMMMGPOBSA-N -1 1 291.311 1.183 20 0 CDADMM CC(C)C[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820062800 606815514 /nfs/dbraw/zinc/81/55/14/606815514.db2.gz OYZJGZOQFSVQCE-QMMMGPOBSA-N -1 1 295.368 1.065 20 0 CDADMM CC(C)C[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820062800 606815516 /nfs/dbraw/zinc/81/55/16/606815516.db2.gz OYZJGZOQFSVQCE-QMMMGPOBSA-N -1 1 295.368 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C[C@H]1COC[C@H](C)N1Cc1ccc(-c2nnn[n-]2)o1 ZINC000825006603 608718533 /nfs/dbraw/zinc/71/85/33/608718533.db2.gz MCAUUHORAHOYBT-IUCAKERBSA-N -1 1 263.301 1.069 20 0 CDADMM C[C@H]1COC[C@H](C)N1Cc1ccc(-c2nn[n-]n2)o1 ZINC000825006603 608718534 /nfs/dbraw/zinc/71/85/34/608718534.db2.gz MCAUUHORAHOYBT-IUCAKERBSA-N -1 1 263.301 1.069 20 0 CDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C2=CCC2)n1 ZINC000824148050 609590180 /nfs/dbraw/zinc/59/01/80/609590180.db2.gz LPGMRTBVKBPIBC-UHFFFAOYSA-N -1 1 287.327 1.477 20 0 CDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C2=CCC2)n1 ZINC000824148050 609590182 /nfs/dbraw/zinc/59/01/82/609590182.db2.gz LPGMRTBVKBPIBC-UHFFFAOYSA-N -1 1 287.327 1.477 20 0 CDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC(C)(C)C1 ZINC000825000951 609592161 /nfs/dbraw/zinc/59/21/61/609592161.db2.gz VVVWAVVLGGGKAM-VIFPVBQESA-N -1 1 273.344 1.529 20 0 CDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC(C)(C)C1 ZINC000825000951 609592164 /nfs/dbraw/zinc/59/21/64/609592164.db2.gz VVVWAVVLGGGKAM-VIFPVBQESA-N -1 1 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1163441875 /nfs/dbraw/zinc/44/18/75/1163441875.db2.gz VISCMYFAMVPMPI-QMMMGPOBSA-N -1 1 280.357 1.104 20 0 CDADMM COc1cc(C=O)ccc1Oc1cnc(-c2nnn[n-]2)cn1 ZINC001605205147 1163486089 /nfs/dbraw/zinc/48/60/89/1163486089.db2.gz HZXCMYLESYPPBZ-UHFFFAOYSA-N -1 1 298.262 1.270 20 0 CDADMM COc1cc(C=O)ccc1Oc1cnc(-c2nn[n-]n2)cn1 ZINC001605205147 1163486093 /nfs/dbraw/zinc/48/60/93/1163486093.db2.gz HZXCMYLESYPPBZ-UHFFFAOYSA-N -1 1 298.262 1.270 20 0 CDADMM CCN(CC(=O)N([C@@H](C)C(=O)[O-])C1CCC1)C1CC1 ZINC001605411299 1163554431 /nfs/dbraw/zinc/55/44/31/1163554431.db2.gz DHKHXXCKHZQBQG-JTQLQIEISA-N -1 1 268.357 1.325 20 0 CDADMM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)c(C)n1C ZINC001605628319 1163628558 /nfs/dbraw/zinc/62/85/58/1163628558.db2.gz KGHZQRGNUFVBGS-UHFFFAOYSA-N -1 1 297.322 1.469 20 0 CDADMM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)c(C)n1C ZINC001605628319 1163628562 /nfs/dbraw/zinc/62/85/62/1163628562.db2.gz KGHZQRGNUFVBGS-UHFFFAOYSA-N -1 1 297.322 1.469 20 0 CDADMM CCc1nc(NC(=O)c2ccc(C)c(C(=O)[O-])c2)n[nH]1 ZINC001605844564 1163687075 /nfs/dbraw/zinc/68/70/75/1163687075.db2.gz MMBBVEWMGGPNBM-UHFFFAOYSA-N -1 1 274.280 1.626 20 0 CDADMM CCc1n[nH]c(NC(=O)c2ccc(C)c(C(=O)[O-])c2)n1 ZINC001605844564 1163687080 /nfs/dbraw/zinc/68/70/80/1163687080.db2.gz MMBBVEWMGGPNBM-UHFFFAOYSA-N -1 1 274.280 1.626 20 0 CDADMM Cc1ccc(N2CCO[C@@H](C3CC3)C2)nc1-c1nnn[n-]1 ZINC001605867487 1163697386 /nfs/dbraw/zinc/69/73/86/1163697386.db2.gz NGAAERWFJOOERQ-LLVKDONJSA-N -1 1 286.339 1.185 20 0 CDADMM Cc1ccc(N2CCO[C@@H](C3CC3)C2)nc1-c1nn[n-]n1 ZINC001605867487 1163697392 /nfs/dbraw/zinc/69/73/92/1163697392.db2.gz NGAAERWFJOOERQ-LLVKDONJSA-N -1 1 286.339 1.185 20 0 CDADMM Cc1ccc(N[C@@H](C)[C@@H]2CCCOC2)nc1-c1nnn[n-]1 ZINC001605871776 1163700184 /nfs/dbraw/zinc/70/01/84/1163700184.db2.gz LJKRYLJVOAFCCK-WDEREUQCSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(N[C@@H](C)[C@@H]2CCCOC2)nc1-c1nn[n-]n1 ZINC001605871776 1163700193 /nfs/dbraw/zinc/70/01/93/1163700193.db2.gz LJKRYLJVOAFCCK-WDEREUQCSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(NC[C@H]2CCO[C@@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001605874249 1163703435 /nfs/dbraw/zinc/70/34/35/1163703435.db2.gz LBICSMCHKCQANA-QWRGUYRKSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(NC[C@H]2CCO[C@@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001605874249 1163703442 /nfs/dbraw/zinc/70/34/42/1163703442.db2.gz LBICSMCHKCQANA-QWRGUYRKSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cccc(CNC(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001605914789 1163713178 /nfs/dbraw/zinc/71/31/78/1163713178.db2.gz UYKNZGWBTGSNEU-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1cccc(CNC(=O)c2coc(-c3nn[n-]n3)c2)n1 ZINC001605914789 1163713184 /nfs/dbraw/zinc/71/31/84/1163713184.db2.gz UYKNZGWBTGSNEU-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM CCn1cc(CNCc2cc(C(=O)[O-])n(C)c2)cn1 ZINC001605922740 1163715882 /nfs/dbraw/zinc/71/58/82/1163715882.db2.gz ZFKVVKUPOMLSDQ-UHFFFAOYSA-N -1 1 262.313 1.230 20 0 CDADMM Cc1cccc2[nH]c(CNc3n[nH]cc3-c3nnn[n-]3)cc21 ZINC001605926843 1163715947 /nfs/dbraw/zinc/71/59/47/1163715947.db2.gz PWXQHSKJJBBJFX-UHFFFAOYSA-N -1 1 294.322 1.992 20 0 CDADMM Cc1cccc2[nH]c(CNc3n[nH]cc3-c3nn[n-]n3)cc21 ZINC001605926843 1163715956 /nfs/dbraw/zinc/71/59/56/1163715956.db2.gz PWXQHSKJJBBJFX-UHFFFAOYSA-N -1 1 294.322 1.992 20 0 CDADMM Cc1ccn(Cc2coc(C3CC3)n2)c(=O)c1-c1nn[n-]n1 ZINC001605952718 1163725846 /nfs/dbraw/zinc/72/58/46/1163725846.db2.gz DBNOMMGMRDYTQL-UHFFFAOYSA-N -1 1 298.306 1.251 20 0 CDADMM Cc1[nH]nc(NCc2cccnc2Cl)c1-c1nnn[n-]1 ZINC001606013797 1163744334 /nfs/dbraw/zinc/74/43/34/1163744334.db2.gz JVAVFEZFYZHEBQ-UHFFFAOYSA-N -1 1 290.718 1.559 20 0 CDADMM Cc1[nH]nc(NCc2cccnc2Cl)c1-c1nn[n-]n1 ZINC001606013797 1163744340 /nfs/dbraw/zinc/74/43/40/1163744340.db2.gz JVAVFEZFYZHEBQ-UHFFFAOYSA-N -1 1 290.718 1.559 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCc3ccsc3C2)n1 ZINC001606021184 1163747727 /nfs/dbraw/zinc/74/77/27/1163747727.db2.gz LSJDJRSMLLVLLK-UHFFFAOYSA-N -1 1 299.363 1.589 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCc3ccsc3C2)n1 ZINC001606021184 1163747730 /nfs/dbraw/zinc/74/77/30/1163747730.db2.gz LSJDJRSMLLVLLK-UHFFFAOYSA-N -1 1 299.363 1.589 20 0 CDADMM Cc1nc(NC/C=C\C2CC2)cc(-c2nnn[n-]2)n1 ZINC001606071031 1163764254 /nfs/dbraw/zinc/76/42/54/1163764254.db2.gz DRQXKCCQTDTPHS-IHWYPQMZSA-N -1 1 257.301 1.343 20 0 CDADMM Cc1nc(NC/C=C\C2CC2)cc(-c2nn[n-]n2)n1 ZINC001606071031 1163764258 /nfs/dbraw/zinc/76/42/58/1163764258.db2.gz DRQXKCCQTDTPHS-IHWYPQMZSA-N -1 1 257.301 1.343 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1-c1nnc(C(C)C)o1 ZINC001606165002 1163793082 /nfs/dbraw/zinc/79/30/82/1163793082.db2.gz KHVJBTYNIRNAON-UHFFFAOYSA-N -1 1 260.257 1.942 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1-c1nnc(C(C)C)o1 ZINC001606165002 1163793091 /nfs/dbraw/zinc/79/30/91/1163793091.db2.gz KHVJBTYNIRNAON-UHFFFAOYSA-N -1 1 260.257 1.942 20 0 CDADMM Clc1ncc(CNc2nccnc2-c2nnn[n-]2)s1 ZINC001606200114 1163806031 /nfs/dbraw/zinc/80/60/31/1163806031.db2.gz XECIJMCHVILSSH-UHFFFAOYSA-N -1 1 294.731 1.379 20 0 CDADMM Clc1ncc(CNc2nccnc2-c2nn[n-]n2)s1 ZINC001606200114 1163806035 /nfs/dbraw/zinc/80/60/35/1163806035.db2.gz XECIJMCHVILSSH-UHFFFAOYSA-N -1 1 294.731 1.379 20 0 CDADMM FC(F)n1cc(Nc2cccc(-c3nnn[n-]3)n2)cn1 ZINC001606299732 1163846573 /nfs/dbraw/zinc/84/65/73/1163846573.db2.gz CVIKBZHWUPZWQH-UHFFFAOYSA-N -1 1 278.226 1.597 20 0 CDADMM FC(F)n1cc(Nc2cccc(-c3nn[n-]n3)n2)cn1 ZINC001606299732 1163846580 /nfs/dbraw/zinc/84/65/80/1163846580.db2.gz CVIKBZHWUPZWQH-UHFFFAOYSA-N -1 1 278.226 1.597 20 0 CDADMM FC1(F)CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001606300575 1163846729 /nfs/dbraw/zinc/84/67/29/1163846729.db2.gz ITGHUVVTOCZQBM-MRVPVSSYSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(F)CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001606300575 1163846734 /nfs/dbraw/zinc/84/67/34/1163846734.db2.gz ITGHUVVTOCZQBM-MRVPVSSYSA-N -1 1 295.297 1.894 20 0 CDADMM Fc1ccc([C@@H]2CCN2c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001606316707 1163855963 /nfs/dbraw/zinc/85/59/63/1163855963.db2.gz IZHWZQRXNXSNGI-NSHDSACASA-N -1 1 297.297 1.747 20 0 CDADMM Fc1cccc(CCOc2cnc(-c3nn[n-]n3)nc2)c1 ZINC001606327857 1163863056 /nfs/dbraw/zinc/86/30/56/1163863056.db2.gz MBTRZYSPJPUAAW-UHFFFAOYSA-N -1 1 286.270 1.417 20 0 CDADMM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1CCc1ccccc1 ZINC001606377736 1163882366 /nfs/dbraw/zinc/88/23/66/1163882366.db2.gz WAOPDIIQRNQSMK-ZIAGYGMSSA-N -1 1 291.347 1.567 20 0 CDADMM O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1ccsc1-c1nnn[n-]1 ZINC001606654982 1163948455 /nfs/dbraw/zinc/94/84/55/1163948455.db2.gz AYWYTBLVELBVTB-NQMVMOMDSA-N -1 1 289.364 1.847 20 0 CDADMM O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1ccsc1-c1nn[n-]n1 ZINC001606654982 1163948465 /nfs/dbraw/zinc/94/84/65/1163948465.db2.gz AYWYTBLVELBVTB-NQMVMOMDSA-N -1 1 289.364 1.847 20 0 CDADMM O=C(N[C@@H]1CCCC[C@H]1F)c1coc(-c2nnn[n-]2)c1 ZINC001606866158 1164019179 /nfs/dbraw/zinc/01/91/79/1164019179.db2.gz WHQUOUMBKHGBEW-RKDXNWHRSA-N -1 1 279.275 1.470 20 0 CDADMM O=C(N[C@@H]1CCCC[C@H]1F)c1coc(-c2nn[n-]n2)c1 ZINC001606866158 1164019186 /nfs/dbraw/zinc/01/91/86/1164019186.db2.gz WHQUOUMBKHGBEW-RKDXNWHRSA-N -1 1 279.275 1.470 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccccc1Cl ZINC001606946143 1164036867 /nfs/dbraw/zinc/03/68/67/1164036867.db2.gz WKZZSVLCXQEYMR-UHFFFAOYSA-N -1 1 289.686 1.496 20 0 CDADMM O=C(Nc1cncc(F)c1)c1cccc(-c2nnn[n-]2)n1 ZINC001606945860 1164037813 /nfs/dbraw/zinc/03/78/13/1164037813.db2.gz BLJNGJJSYNHJTL-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(Nc1cncc(F)c1)c1cccc(-c2nn[n-]n2)n1 ZINC001606945860 1164037820 /nfs/dbraw/zinc/03/78/20/1164037820.db2.gz BLJNGJJSYNHJTL-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(OCCCF)Oc1cccnc1-c1nnn[n-]1 ZINC001606968918 1164044180 /nfs/dbraw/zinc/04/41/80/1164044180.db2.gz USFCYUUEYLQSKO-UHFFFAOYSA-N -1 1 267.220 1.137 20 0 CDADMM O=C(OCCCF)Oc1cccnc1-c1nn[n-]n1 ZINC001606968918 1164044186 /nfs/dbraw/zinc/04/41/86/1164044186.db2.gz USFCYUUEYLQSKO-UHFFFAOYSA-N -1 1 267.220 1.137 20 0 CDADMM O=C(OCc1ccsc1)c1cccc(-c2nnn[n-]2)n1 ZINC001606984635 1164049181 /nfs/dbraw/zinc/04/91/81/1164049181.db2.gz HNXCVCNTYCQJHU-UHFFFAOYSA-N -1 1 287.304 1.680 20 0 CDADMM O=C(OCc1ccsc1)c1cccc(-c2nn[n-]n2)n1 ZINC001606984635 1164049184 /nfs/dbraw/zinc/04/91/84/1164049184.db2.gz HNXCVCNTYCQJHU-UHFFFAOYSA-N -1 1 287.304 1.680 20 0 CDADMM O=C(OCC1CCC(=O)CC1)c1coc(-c2nnn[n-]2)c1 ZINC001607043798 1164066583 /nfs/dbraw/zinc/06/65/83/1164066583.db2.gz KLLWTEONZUSANX-UHFFFAOYSA-N -1 1 290.279 1.376 20 0 CDADMM O=C(OCC1CCC(=O)CC1)c1coc(-c2nn[n-]n2)c1 ZINC001607043798 1164066585 /nfs/dbraw/zinc/06/65/85/1164066585.db2.gz KLLWTEONZUSANX-UHFFFAOYSA-N -1 1 290.279 1.376 20 0 CDADMM OCCCCN(c1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001607107562 1164086467 /nfs/dbraw/zinc/08/64/67/1164086467.db2.gz LFJVBFRVJJFNIK-UHFFFAOYSA-N -1 1 274.328 1.003 20 0 CDADMM OCCCCN(c1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001607107562 1164086470 /nfs/dbraw/zinc/08/64/70/1164086470.db2.gz LFJVBFRVJJFNIK-UHFFFAOYSA-N -1 1 274.328 1.003 20 0 CDADMM OCCCCSc1cccnc1-c1nnn[n-]1 ZINC001607107614 1164086900 /nfs/dbraw/zinc/08/69/00/1164086900.db2.gz ORRNPBFSBRSCBZ-UHFFFAOYSA-N -1 1 251.315 1.126 20 0 CDADMM OCCCCSc1cccnc1-c1nn[n-]n1 ZINC001607107614 1164086908 /nfs/dbraw/zinc/08/69/08/1164086908.db2.gz ORRNPBFSBRSCBZ-UHFFFAOYSA-N -1 1 251.315 1.126 20 0 CDADMM c1cc([C@H]2CCCN2Cc2ccc(-c3nnn[n-]3)o2)n[nH]1 ZINC001607117842 1164098923 /nfs/dbraw/zinc/09/89/23/1164098923.db2.gz JARSEOWUVGNRIB-LLVKDONJSA-N -1 1 285.311 1.520 20 0 CDADMM c1cc([C@H]2CCCN2Cc2ccc(-c3nn[n-]n3)o2)n[nH]1 ZINC001607117842 1164098926 /nfs/dbraw/zinc/09/89/26/1164098926.db2.gz JARSEOWUVGNRIB-LLVKDONJSA-N -1 1 285.311 1.520 20 0 CDADMM c1cc(N2CC[C@@H]2[C@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001607119662 1164101322 /nfs/dbraw/zinc/10/13/22/1164101322.db2.gz GGIRKKMQAPRURD-GXFFZTMASA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(N2CC[C@@H]2[C@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001607119662 1164101326 /nfs/dbraw/zinc/10/13/26/1164101326.db2.gz GGIRKKMQAPRURD-GXFFZTMASA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(NC23CCC(CC2)C3)cc(-c2nnn[n-]2)n1 ZINC001607120067 1164103320 /nfs/dbraw/zinc/10/33/20/1164103320.db2.gz SIMZHTYWSBSVFZ-UHFFFAOYSA-N -1 1 256.313 1.428 20 0 CDADMM c1cc(NC23CCC(CC2)C3)cc(-c2nn[n-]n2)n1 ZINC001607120067 1164103321 /nfs/dbraw/zinc/10/33/21/1164103321.db2.gz SIMZHTYWSBSVFZ-UHFFFAOYSA-N -1 1 256.313 1.428 20 0 CDADMM c1cc(NC[C@@H]2CC[C@@H](C3CC3)O2)nc(-c2nnn[n-]2)c1 ZINC001607121605 1164103442 /nfs/dbraw/zinc/10/34/42/1164103442.db2.gz QWYIWVLLUUWJQW-JQWIXIFHSA-N -1 1 286.339 1.631 20 0 CDADMM c1cc(NC[C@@H]2CC[C@@H](C3CC3)O2)nc(-c2nn[n-]n2)c1 ZINC001607121605 1164103444 /nfs/dbraw/zinc/10/34/44/1164103444.db2.gz QWYIWVLLUUWJQW-JQWIXIFHSA-N -1 1 286.339 1.631 20 0 CDADMM Cc1ccc2nc(CNc3nccc(C(=O)[O-])n3)[nH]c2c1 ZINC001607828869 1164307347 /nfs/dbraw/zinc/30/73/47/1164307347.db2.gz ZPCIUSGAKVZMAP-UHFFFAOYSA-N -1 1 283.291 1.972 20 0 CDADMM Cc1ccncc1[C@@H](C)N[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001607897684 1164325353 /nfs/dbraw/zinc/32/53/53/1164325353.db2.gz XGPAGSSKVGNYAR-DGCLKSJQSA-N -1 1 291.351 1.116 20 0 CDADMM Cc1ccoc1CC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001607898987 1164327461 /nfs/dbraw/zinc/32/74/61/1164327461.db2.gz JWSZWPCLFCNFSB-GFCCVEGCSA-N -1 1 294.351 1.138 20 0 CDADMM Cc1cncc(CCN[C@@H](C)c2ncc(C(=O)[O-])s2)n1 ZINC001607910109 1164335351 /nfs/dbraw/zinc/33/53/51/1164335351.db2.gz UKNPVHRYNJCNQZ-VIFPVBQESA-N -1 1 292.364 1.833 20 0 CDADMM CC(=O)NC[C@@H](C)CNC(=O)c1cc([O-])cc(F)c1F ZINC001192684731 1164383523 /nfs/dbraw/zinc/38/35/23/1164383523.db2.gz UTAJKXXEMCKOIO-SSDOTTSWSA-N -1 1 286.278 1.172 20 0 CDADMM Cn1c(CNCc2c[nH]c(C(=O)[O-])c2)nc2ccccc21 ZINC001608087761 1164405106 /nfs/dbraw/zinc/40/51/06/1164405106.db2.gz FSXIUYQCQZQZFC-UHFFFAOYSA-N -1 1 284.319 1.889 20 0 CDADMM Cn1cc(CN2CCO[C@@H](C(F)F)CC2)cc1C(=O)[O-] ZINC001608112116 1164411989 /nfs/dbraw/zinc/41/19/89/1164411989.db2.gz TVFCAYKOWVPVSQ-LLVKDONJSA-N -1 1 288.294 1.579 20 0 CDADMM Cn1ccc(CC(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)n1 ZINC001608125277 1164418419 /nfs/dbraw/zinc/41/84/19/1164418419.db2.gz ZCYUZSSZYYMYHG-UHFFFAOYSA-N -1 1 299.290 1.176 20 0 CDADMM Cn1ncc(CN2CC[C@](C(=O)[O-])(c3ccccc3)C2)n1 ZINC001608157701 1164428588 /nfs/dbraw/zinc/42/85/88/1164428588.db2.gz NHBOSSKLAXYXJS-OAHLLOKOSA-N -1 1 286.335 1.043 20 0 CDADMM O=C([O-])C1CC(NC(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC001608408438 1164511104 /nfs/dbraw/zinc/51/11/04/1164511104.db2.gz VIYYLGSSDNIBRG-UHFFFAOYSA-N -1 1 286.291 1.065 20 0 CDADMM O=C([O-])c1ncoc1CNC(=O)c1cccc(F)c1O ZINC001608477740 1164525584 /nfs/dbraw/zinc/52/55/84/1164525584.db2.gz QEUVYCCMNYVSKX-UHFFFAOYSA-N -1 1 280.211 1.148 20 0 CDADMM O=C([O-])[C@@]1(O)CCN(Cc2ccc(C(F)F)c(F)c2)C1 ZINC001608578152 1164554252 /nfs/dbraw/zinc/55/42/52/1164554252.db2.gz LZHPMUKOOYKFKX-CYBMUJFWSA-N -1 1 289.253 1.785 20 0 CDADMM O=C([O-])[C@@H]1CCCC[C@@H]1CN1CCc2nn[nH]c2C1 ZINC001608624352 1164579220 /nfs/dbraw/zinc/57/92/20/1164579220.db2.gz GINFDNYEPBYMSX-NXEZZACHSA-N -1 1 264.329 1.054 20 0 CDADMM O=C([O-])C[C@@H]1CCCN1C(=O)c1cc2[nH]cnc2cc1F ZINC001608696234 1164608627 /nfs/dbraw/zinc/60/86/27/1164608627.db2.gz LZTLIZOWXPVRTR-QMMMGPOBSA-N -1 1 291.282 1.781 20 0 CDADMM O=C([O-])CN1CCN(C(=O)c2cccc(C(F)F)c2)CC1 ZINC001608748915 1164628831 /nfs/dbraw/zinc/62/88/31/1164628831.db2.gz AMYVZAMTWCTWCH-UHFFFAOYSA-N -1 1 298.289 1.467 20 0 CDADMM O=C([O-])c1ccc(CN2C[C@H]3[C@H](CO)[C@H]3C2)cc1Cl ZINC001608883172 1164674242 /nfs/dbraw/zinc/67/42/42/1164674242.db2.gz VWCSVUQHTPGSMS-GDNZZTSVSA-N -1 1 281.739 1.708 20 0 CDADMM O=C([O-])c1cccc2c1CCN([C@@H]1CCCCNC1=O)C2 ZINC001608940732 1164690261 /nfs/dbraw/zinc/69/02/61/1164690261.db2.gz MFPBTKRNYZJXAT-CQSZACIVSA-N -1 1 288.347 1.412 20 0 CDADMM O=C([O-])c1sc(NCc2c[nH]nn2)nc1Cl ZINC001609007098 1164720813 /nfs/dbraw/zinc/72/08/13/1164720813.db2.gz AKBJROZXOGLMLG-UHFFFAOYSA-N -1 1 259.678 1.225 20 0 CDADMM CC(C)SCCNc1cncc(-c2nn[n-]n2)n1 ZINC001609103999 1164769279 /nfs/dbraw/zinc/76/92/79/1164769279.db2.gz HXXJPZGCNBZYEA-UHFFFAOYSA-N -1 1 265.346 1.210 20 0 CDADMM CC(C)C[C@@H](C)Cn1cnc(-c2nn[n-]n2)cc1=O ZINC001609093115 1164764649 /nfs/dbraw/zinc/76/46/49/1164764649.db2.gz POFRFNBNWAIVAN-SECBINFHSA-N -1 1 262.317 1.106 20 0 CDADMM CC(C)[C@H]1CCCN(c2ncncc2-c2nn[n-]n2)CC1 ZINC001609091705 1164768698 /nfs/dbraw/zinc/76/86/98/1164768698.db2.gz SSYLUOMOFRLZTE-NSHDSACASA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)SCCNc1cncc(-c2nnn[n-]2)n1 ZINC001609103999 1164769274 /nfs/dbraw/zinc/76/92/74/1164769274.db2.gz HXXJPZGCNBZYEA-UHFFFAOYSA-N -1 1 265.346 1.210 20 0 CDADMM C[C@@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001609133257 1164787688 /nfs/dbraw/zinc/78/76/88/1164787688.db2.gz XRBUFQQFDVDPHL-RXMQYKEDSA-N -1 1 287.201 1.369 20 0 CDADMM C[C@@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001609133257 1164787695 /nfs/dbraw/zinc/78/76/95/1164787695.db2.gz XRBUFQQFDVDPHL-RXMQYKEDSA-N -1 1 287.201 1.369 20 0 CDADMM CC1(C)CC[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001609144863 1164791877 /nfs/dbraw/zinc/79/18/77/1164791877.db2.gz QQVGUNCLEKLNPB-SNVBAGLBSA-N -1 1 287.323 1.997 20 0 CDADMM CC1(C)CC[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001609144863 1164791882 /nfs/dbraw/zinc/79/18/82/1164791882.db2.gz QQVGUNCLEKLNPB-SNVBAGLBSA-N -1 1 287.323 1.997 20 0 CDADMM C[C@@]1(c2ccccc2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001609151793 1164799770 /nfs/dbraw/zinc/79/97/70/1164799770.db2.gz PRPFUNQVRXBZPY-WFASDCNBSA-N -1 1 293.334 1.799 20 0 CDADMM C[C@@]1(c2ccccc2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001609151793 1164799774 /nfs/dbraw/zinc/79/97/74/1164799774.db2.gz PRPFUNQVRXBZPY-WFASDCNBSA-N -1 1 293.334 1.799 20 0 CDADMM CC1=C(C)CN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001609151794 1164800186 /nfs/dbraw/zinc/80/01/86/1164800186.db2.gz QXQFBNVVQYOGCV-UHFFFAOYSA-N -1 1 273.296 1.642 20 0 CDADMM CC1=C(C)CN(C(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001609151794 1164800191 /nfs/dbraw/zinc/80/01/91/1164800191.db2.gz QXQFBNVVQYOGCV-UHFFFAOYSA-N -1 1 273.296 1.642 20 0 CDADMM CCN(Cc1occc1C)c1cnc(-c2nnn[n-]2)cn1 ZINC001609226729 1164858236 /nfs/dbraw/zinc/85/82/36/1164858236.db2.gz PRZKJXBKXSGOIC-UHFFFAOYSA-N -1 1 285.311 1.585 20 0 CDADMM CCN(Cc1occc1C)c1cnc(-c2nn[n-]n2)cn1 ZINC001609226729 1164858242 /nfs/dbraw/zinc/85/82/42/1164858242.db2.gz PRZKJXBKXSGOIC-UHFFFAOYSA-N -1 1 285.311 1.585 20 0 CDADMM CO[C@@H](C)[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001609308438 1164885296 /nfs/dbraw/zinc/88/52/96/1164885296.db2.gz LZONKCXQFWDMAL-UHNVWZDZSA-N -1 1 288.764 1.812 20 0 CDADMM CO[C@@H](C)[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609308438 1164885304 /nfs/dbraw/zinc/88/53/04/1164885304.db2.gz LZONKCXQFWDMAL-UHNVWZDZSA-N -1 1 288.764 1.812 20 0 CDADMM CO[C@@H]1[C@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1(C)C ZINC001609311787 1164891567 /nfs/dbraw/zinc/89/15/67/1164891567.db2.gz DTYBSAMJGUODJH-PPKCKEKNSA-N -1 1 289.343 1.128 20 0 CDADMM CO[C@@H]1[C@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1(C)C ZINC001609311787 1164891575 /nfs/dbraw/zinc/89/15/75/1164891575.db2.gz DTYBSAMJGUODJH-PPKCKEKNSA-N -1 1 289.343 1.128 20 0 CDADMM CO[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)CC[C@H]1C ZINC001609315792 1164895318 /nfs/dbraw/zinc/89/53/18/1164895318.db2.gz UAQWECKIBXMHAT-MWLCHTKSSA-N -1 1 274.328 1.123 20 0 CDADMM CO[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)CC[C@H]1C ZINC001609315792 1164895324 /nfs/dbraw/zinc/89/53/24/1164895324.db2.gz UAQWECKIBXMHAT-MWLCHTKSSA-N -1 1 274.328 1.123 20 0 CDADMM Cc1noc(C)c1CN(C)c1cc(C)nc(-c2nnn[n-]2)c1 ZINC001609404082 1164931992 /nfs/dbraw/zinc/93/19/92/1164931992.db2.gz ATYZPRWIASJJNH-UHFFFAOYSA-N -1 1 299.338 1.811 20 0 CDADMM Cc1noc(C)c1CN(C)c1cc(C)nc(-c2nn[n-]n2)c1 ZINC001609404082 1164932000 /nfs/dbraw/zinc/93/20/00/1164932000.db2.gz ATYZPRWIASJJNH-UHFFFAOYSA-N -1 1 299.338 1.811 20 0 CDADMM Cc1ccccc1[C@@H](O)COc1cccnc1-c1nnn[n-]1 ZINC001609435213 1164946073 /nfs/dbraw/zinc/94/60/73/1164946073.db2.gz IMULGTRVBXOHRQ-LBPRGKRZSA-N -1 1 297.318 1.683 20 0 CDADMM Cc1ccccc1[C@@H](O)COc1cccnc1-c1nn[n-]n1 ZINC001609435213 1164946081 /nfs/dbraw/zinc/94/60/81/1164946081.db2.gz IMULGTRVBXOHRQ-LBPRGKRZSA-N -1 1 297.318 1.683 20 0 CDADMM Cc1cccc(N(C)C(=O)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001609431796 1164946613 /nfs/dbraw/zinc/94/66/13/1164946613.db2.gz HIEAVFMMTBDRLO-UHFFFAOYSA-N -1 1 294.318 1.847 20 0 CDADMM Cc1cccc(N(C)C(=O)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001609431796 1164946619 /nfs/dbraw/zinc/94/66/19/1164946619.db2.gz HIEAVFMMTBDRLO-UHFFFAOYSA-N -1 1 294.318 1.847 20 0 CDADMM Cc1nsc(N2CCCO[C@H](C)C2)c1-c1nn[n-]n1 ZINC001609464465 1164961831 /nfs/dbraw/zinc/96/18/31/1164961831.db2.gz UPWHZGCEQXXXHM-SSDOTTSWSA-N -1 1 280.357 1.247 20 0 CDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CC(C)(C)C2CC2)n1 ZINC001609477274 1164966912 /nfs/dbraw/zinc/96/69/12/1164966912.db2.gz KOTLSDGMRCBKDQ-UHFFFAOYSA-N -1 1 289.343 1.365 20 0 CDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CC(C)(C)C2CC2)n1 ZINC001609477274 1164966922 /nfs/dbraw/zinc/96/69/22/1164966922.db2.gz KOTLSDGMRCBKDQ-UHFFFAOYSA-N -1 1 289.343 1.365 20 0 CDADMM C/C(=C\CN[C@H](c1nncn1C)C(C)C)C(=O)[O-] ZINC001609503223 1164979157 /nfs/dbraw/zinc/97/91/57/1164979157.db2.gz IBIVXYVERSKIGX-CYNRKNSPSA-N -1 1 252.318 1.133 20 0 CDADMM O=C(OCc1ccccn1)c1cccc(-c2nnn[n-]2)n1 ZINC001609577399 1164992974 /nfs/dbraw/zinc/99/29/74/1164992974.db2.gz KIWOZJOMFBRMMS-UHFFFAOYSA-N -1 1 282.263 1.014 20 0 CDADMM O=C(OCc1ccccn1)c1cccc(-c2nn[n-]n2)n1 ZINC001609577399 1164992982 /nfs/dbraw/zinc/99/29/82/1164992982.db2.gz KIWOZJOMFBRMMS-UHFFFAOYSA-N -1 1 282.263 1.014 20 0 CDADMM c1ccc([C@H]2CCCN2c2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001609616646 1165012931 /nfs/dbraw/zinc/01/29/31/1165012931.db2.gz WVDHBKYUEARJPM-CYBMUJFWSA-N -1 1 293.334 1.998 20 0 CDADMM c1ccc([C@H]2CCCN2c2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001609616646 1165012939 /nfs/dbraw/zinc/01/29/39/1165012939.db2.gz WVDHBKYUEARJPM-CYBMUJFWSA-N -1 1 293.334 1.998 20 0 CDADMM c1ccc(C2(CNc3cccnc3-c3nnn[n-]3)CC2)nc1 ZINC001609616604 1165013481 /nfs/dbraw/zinc/01/34/81/1165013481.db2.gz VAKFDLYDXIYVJD-UHFFFAOYSA-N -1 1 293.334 1.800 20 0 CDADMM c1ccc(C2(CNc3cccnc3-c3nn[n-]n3)CC2)nc1 ZINC001609616604 1165013484 /nfs/dbraw/zinc/01/34/84/1165013484.db2.gz VAKFDLYDXIYVJD-UHFFFAOYSA-N -1 1 293.334 1.800 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OCc2ccc3c(c2)COC3)c1 ZINC001609619705 1165014667 /nfs/dbraw/zinc/01/46/67/1165014667.db2.gz YLYFEKJGPPMJKY-UHFFFAOYSA-N -1 1 295.302 1.871 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OCc2ccc3c(c2)COC3)c1 ZINC001609619705 1165014669 /nfs/dbraw/zinc/01/46/69/1165014669.db2.gz YLYFEKJGPPMJKY-UHFFFAOYSA-N -1 1 295.302 1.871 20 0 CDADMM C[C@H](Cc1ccccc1F)NCc1cn(CC(=O)[O-])nn1 ZINC001609749351 1165068066 /nfs/dbraw/zinc/06/80/66/1165068066.db2.gz DRUPSTXQMKWUSU-SNVBAGLBSA-N -1 1 292.314 1.223 20 0 CDADMM CN(CCCCO)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001610115555 1165221370 /nfs/dbraw/zinc/22/13/70/1165221370.db2.gz COJHLMZZKTVIBS-UHFFFAOYSA-N -1 1 280.324 1.028 20 0 CDADMM CN(CCn1ncc(C(=O)[O-])cc1=O)Cc1ccccc1 ZINC001610118896 1165224043 /nfs/dbraw/zinc/22/40/43/1165224043.db2.gz GSNZWWVMMRNLBK-UHFFFAOYSA-N -1 1 287.319 1.074 20 0 CDADMM Cc1ccc(-c2n[nH]cc2CN[C@@H](CF)C(=O)[O-])o1 ZINC001610481084 1165327782 /nfs/dbraw/zinc/32/77/82/1165327782.db2.gz UFRXPGIDENOKNL-VIFPVBQESA-N -1 1 267.260 1.490 20 0 CDADMM Cn1nccc1[C@H](NCc1cccc(F)c1)C(=O)[O-] ZINC001610616183 1165379397 /nfs/dbraw/zinc/37/93/97/1165379397.db2.gz VQKBCDLFKXFQTF-LBPRGKRZSA-N -1 1 263.272 1.475 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)[C@@H]3CC3(F)F)[nH]c21 ZINC001610850291 1165461670 /nfs/dbraw/zinc/46/16/70/1165461670.db2.gz ZLSQNHYPPQHDMX-LURJTMIESA-N -1 1 281.218 1.855 20 0 CDADMM O=C([O-])c1cncc(S(=O)(=O)Nc2cccc(O)c2)c1 ZINC001610864704 1165466930 /nfs/dbraw/zinc/46/69/30/1165466930.db2.gz TWDGDVMBAJXKQA-UHFFFAOYSA-N -1 1 294.288 1.286 20 0 CDADMM CN(C(=O)c1cc(Cl)c2ccccc2n1)c1nn[n-]n1 ZINC001617641763 1165603650 /nfs/dbraw/zinc/60/36/50/1165603650.db2.gz FQQSSSFYSRXIKA-UHFFFAOYSA-N -1 1 288.698 1.678 20 0 CDADMM Cc1ccnc(Oc2ccc(C(=O)Nc3nnn[n-]3)cc2)c1 ZINC001618459555 1165632450 /nfs/dbraw/zinc/63/24/50/1165632450.db2.gz IMRDPRQLINLDDR-UHFFFAOYSA-N -1 1 296.290 1.948 20 0 CDADMM Cc1ccnc(Oc2ccc(C(=O)Nc3nn[n-]n3)cc2)c1 ZINC001618459555 1165632454 /nfs/dbraw/zinc/63/24/54/1165632454.db2.gz IMRDPRQLINLDDR-UHFFFAOYSA-N -1 1 296.290 1.948 20 0 CDADMM CCOC(=O)NCCC(=O)[N-]Oc1ccccc1F ZINC000874912890 1165692381 /nfs/dbraw/zinc/69/23/81/1165692381.db2.gz VJBYPGOCDUIKMX-UHFFFAOYSA-N -1 1 270.260 1.372 20 0 CDADMM Cc1nc([N-]C(=O)c2cc(-c3cccc(O)c3)on2)nn1C ZINC001628641493 1166085253 /nfs/dbraw/zinc/08/52/53/1166085253.db2.gz SVLCQRYQWMMNNO-UHFFFAOYSA-N -1 1 299.290 1.736 20 0 CDADMM O=C(C[C@@H](c1ncc[nH]1)c1ccccc1)Nc1nnn[n-]1 ZINC001629821877 1166166587 /nfs/dbraw/zinc/16/65/87/1166166587.db2.gz HEYBJJIYQFGLFU-SNVBAGLBSA-N -1 1 283.295 1.084 20 0 CDADMM O=C(C[C@@H](c1ncc[nH]1)c1ccccc1)Nc1nn[n-]n1 ZINC001629821877 1166166591 /nfs/dbraw/zinc/16/65/91/1166166591.db2.gz HEYBJJIYQFGLFU-SNVBAGLBSA-N -1 1 283.295 1.084 20 0 CDADMM O=C(Nc1cncnc1-n1cccn1)c1ccc(F)c([O-])c1 ZINC001631424864 1166275765 /nfs/dbraw/zinc/27/57/65/1166275765.db2.gz SNWQMZXDMQUBKU-UHFFFAOYSA-N -1 1 299.265 1.759 20 0 CDADMM CCCCS(=O)(=O)[N-]c1cc(C(N)=O)ccc1OC ZINC000045929393 1166293391 /nfs/dbraw/zinc/29/33/91/1166293391.db2.gz WETSXAADHCTXSJ-UHFFFAOYSA-N -1 1 286.353 1.336 20 0 CDADMM O=C(NCc1cccc(=O)[nH]1)c1ccc([O-])cc1F ZINC001632545396 1166358694 /nfs/dbraw/zinc/35/86/94/1166358694.db2.gz HRWUJNRHUXGKJQ-UHFFFAOYSA-N -1 1 262.240 1.562 20 0 CDADMM COc1ccc2cc(C(=O)Nc3nnn[n-]3)cnc2c1 ZINC001634297325 1166486947 /nfs/dbraw/zinc/48/69/47/1166486947.db2.gz RLYMGEYMBQZVHL-UHFFFAOYSA-N -1 1 270.252 1.009 20 0 CDADMM COc1ccc2cc(C(=O)Nc3nn[n-]n3)cnc2c1 ZINC001634297325 1166486950 /nfs/dbraw/zinc/48/69/50/1166486950.db2.gz RLYMGEYMBQZVHL-UHFFFAOYSA-N -1 1 270.252 1.009 20 0 CDADMM O=C([N-]c1cccc2n[nH]nc21)c1cc(Cl)no1 ZINC001637135815 1166727758 /nfs/dbraw/zinc/72/77/58/1166727758.db2.gz JLHKAJYSZBMYGO-UHFFFAOYSA-N -1 1 263.644 1.852 20 0 CDADMM Nc1noc2cc(CNC(=O)c3cncc([O-])c3)ccc12 ZINC001638484961 1166851547 /nfs/dbraw/zinc/85/15/47/1166851547.db2.gz YGBWLPHATOBIGL-UHFFFAOYSA-N -1 1 284.275 1.441 20 0 CDADMM CCOC(=O)c1nc(NC(=O)c2ncc3ccccn32)c[n-]1 ZINC001642071364 1167154177 /nfs/dbraw/zinc/15/41/77/1167154177.db2.gz RYTICBHQJBJIOL-UHFFFAOYSA-N -1 1 299.290 1.486 20 0 CDADMM Cc1ccnc(CNC(=O)c2ncc3ccccc3c2[O-])n1 ZINC001643117141 1167227666 /nfs/dbraw/zinc/22/76/66/1167227666.db2.gz YORULLWPXGHNMZ-UHFFFAOYSA-N -1 1 294.314 1.969 20 0 CDADMM C[C@@H](NC(=O)c1ccc(F)c([O-])c1)c1cnccn1 ZINC001644178302 1167297824 /nfs/dbraw/zinc/29/78/24/1167297824.db2.gz AQCMDABRHYBZCD-MRVPVSSYSA-N -1 1 261.256 1.812 20 0 CDADMM CC[C@@H](C)c1ccc(NC(=O)COCc2nn[n-]n2)cc1 ZINC001646230534 1167711444 /nfs/dbraw/zinc/71/14/44/1167711444.db2.gz ICSKVUQPJAIUMP-SNVBAGLBSA-N -1 1 289.339 1.869 20 0 CDADMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@@H](F)CC)nc2n1 ZINC001646649249 1168019327 /nfs/dbraw/zinc/01/93/27/1168019327.db2.gz WKSOSPMCRXBYJF-QMMMGPOBSA-N -1 1 281.291 1.057 20 0 CDADMM CCn1nc(C)c(C(=O)Nc2c(C)[n-][nH]c2=O)c1Cl ZINC001647213916 1168456501 /nfs/dbraw/zinc/45/65/01/1168456501.db2.gz UWOBNWIZAAZORF-UHFFFAOYSA-N -1 1 283.719 1.854 20 0 CDADMM O=C(COC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc([O-])cc1O ZINC001647224494 1168464386 /nfs/dbraw/zinc/46/43/86/1168464386.db2.gz ZMASCRPSCCVVMS-UDZFHETQSA-N -1 1 292.287 1.391 20 0 CDADMM Cn1cnc(C(=O)[N-]c2nc(-c3ccccc3)no2)n1 ZINC001648511449 1169133945 /nfs/dbraw/zinc/13/39/45/1169133945.db2.gz BEOFWDCVDUSQPR-UHFFFAOYSA-N -1 1 270.252 1.117 20 0 CDADMM CCC(CC)(NC(=O)c1cccc2[nH]cnc21)c1nn[n-]n1 ZINC001568664398 1169419940 /nfs/dbraw/zinc/41/99/40/1169419940.db2.gz NKHOMHSGUFOPPY-UHFFFAOYSA-N -1 1 299.338 1.521 20 0 CDADMM CCN1CC[C@@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001573778078 1170771229 /nfs/dbraw/zinc/77/12/29/1170771229.db2.gz OAOLGXCATZGQHZ-SNVBAGLBSA-N -1 1 288.307 1.294 20 0 CDADMM CNc1ccccc1C[NH2+][C@H](C)c1nc(C(=O)[O-])n[n-]1 ZINC001573910096 1170825149 /nfs/dbraw/zinc/82/51/49/1170825149.db2.gz HUOZPSQXZQRTGY-MRVPVSSYSA-N -1 1 275.312 1.395 20 0 CDADMM Cc1noc([N-]C(=O)c2cn(-c3ccccc3C)nn2)n1 ZINC001654226729 1171599072 /nfs/dbraw/zinc/59/90/72/1171599072.db2.gz PVUHLFOLFKMXMT-UHFFFAOYSA-N -1 1 284.279 1.519 20 0 CDADMM COc1ccccc1OCC(=O)Nc1c[n-][nH]c1=O ZINC001654600074 1171622068 /nfs/dbraw/zinc/62/20/68/1171622068.db2.gz NLFNXBGRONHULV-UHFFFAOYSA-N -1 1 263.253 1.141 20 0 CDADMM Fc1ccc2nc(SCc3nn[n-]n3)oc2c1 ZINC001656893117 1171895820 /nfs/dbraw/zinc/89/58/20/1171895820.db2.gz FGFARWRXYWZTDY-UHFFFAOYSA-N -1 1 251.246 1.772 20 0 CDADMM CCc1[nH]nc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1C ZINC001578563999 1171951354 /nfs/dbraw/zinc/95/13/54/1171951354.db2.gz SQXHHPZBIUFCKO-UHFFFAOYSA-N -1 1 287.283 1.306 20 0 CDADMM C[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001580436362 1172436483 /nfs/dbraw/zinc/43/64/83/1172436483.db2.gz VZUPRPQSBYBQJP-VIFPVBQESA-N -1 1 283.291 1.951 20 0 CDADMM C[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001580436362 1172436493 /nfs/dbraw/zinc/43/64/93/1172436493.db2.gz VZUPRPQSBYBQJP-VIFPVBQESA-N -1 1 283.291 1.951 20 0 CDADMM Cc1cc(NC(=O)c2ccsc2-c2nnn[n-]2)n[nH]1 ZINC001580985395 1172576666 /nfs/dbraw/zinc/57/66/66/1172576666.db2.gz CWFBVJRRRXLVIC-UHFFFAOYSA-N -1 1 275.297 1.212 20 0 CDADMM Cc1cc(NC(=O)c2ccsc2-c2nn[n-]n2)n[nH]1 ZINC001580985395 1172576676 /nfs/dbraw/zinc/57/66/76/1172576676.db2.gz CWFBVJRRRXLVIC-UHFFFAOYSA-N -1 1 275.297 1.212 20 0 CDADMM Fc1ccc2c(c1)OCCN2c1nccnc1-c1nnn[n-]1 ZINC001581855166 1172624749 /nfs/dbraw/zinc/62/47/49/1172624749.db2.gz OOQFLOOMOXTLNL-UHFFFAOYSA-N -1 1 299.269 1.326 20 0 CDADMM Fc1ccc2c(c1)OCCN2c1nccnc1-c1nn[n-]n1 ZINC001581855166 1172624752 /nfs/dbraw/zinc/62/47/52/1172624752.db2.gz OOQFLOOMOXTLNL-UHFFFAOYSA-N -1 1 299.269 1.326 20 0 CDADMM Fc1ccccc1[C@@H]1C[C@H]1Nc1ncncc1-c1nn[n-]n1 ZINC001581855480 1172625218 /nfs/dbraw/zinc/62/52/18/1172625218.db2.gz BOULGIJBOAKYJV-JOYOIKCWSA-N -1 1 297.297 1.764 20 0 CDADMM c1cc(N2CC[C@@H]3CCCC[C@@H]32)nc(-c2nn[n-]n2)n1 ZINC001582817625 1172697308 /nfs/dbraw/zinc/69/73/08/1172697308.db2.gz PZLVAYQIYLBDEC-UWVGGRQHSA-N -1 1 271.328 1.426 20 0 CDADMM Cn1[n-]c(C(=O)Nc2ccc3nc[nH]c3c2)cc1=O ZINC001583580196 1172765222 /nfs/dbraw/zinc/76/52/22/1172765222.db2.gz ZFRQLYIABKOTEA-UHFFFAOYSA-N -1 1 257.253 1.254 20 0 CDADMM Cc1cccc(-c2cncc(C(=O)N(C)c3nn[n-]n3)c2)c1 ZINC001586262429 1172938071 /nfs/dbraw/zinc/93/80/71/1172938071.db2.gz QYSYVCDEZSEQCV-UHFFFAOYSA-N -1 1 294.318 1.847 20 0 CDADMM CC(=O)c1cccc(CNc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001588920053 1173113346 /nfs/dbraw/zinc/11/33/46/1173113346.db2.gz KLSATOPXNNNZKY-UHFFFAOYSA-N -1 1 295.306 1.471 20 0 CDADMM CC(=O)c1cccc(CNc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001588920053 1173113352 /nfs/dbraw/zinc/11/33/52/1173113352.db2.gz KLSATOPXNNNZKY-UHFFFAOYSA-N -1 1 295.306 1.471 20 0 CDADMM CC(C)=C(C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001589346339 1173139698 /nfs/dbraw/zinc/13/96/98/1173139698.db2.gz POKKUYWOSHOJJF-UHFFFAOYSA-N -1 1 277.353 1.901 20 0 CDADMM CC(C)[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)CCO1 ZINC001589501474 1173151929 /nfs/dbraw/zinc/15/19/29/1173151929.db2.gz ZVCZQWWXUQUDFA-ONGXEEELSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)CCO1 ZINC001589501474 1173151937 /nfs/dbraw/zinc/15/19/37/1173151937.db2.gz ZVCZQWWXUQUDFA-ONGXEEELSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)CC(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001589521500 1173156028 /nfs/dbraw/zinc/15/60/28/1173156028.db2.gz YZWOUQVNFGJXRD-UHFFFAOYSA-N -1 1 260.301 1.271 20 0 CDADMM CC(C)CC(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001589521500 1173156032 /nfs/dbraw/zinc/15/60/32/1173156032.db2.gz YZWOUQVNFGJXRD-UHFFFAOYSA-N -1 1 260.301 1.271 20 0 CDADMM CC(C)C[C@@H]1C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589658640 1173165447 /nfs/dbraw/zinc/16/54/47/1173165447.db2.gz KRJDZCOWGFSGAI-ZYHUDNBSSA-N -1 1 286.339 1.426 20 0 CDADMM CC(C)C[C@@H]1C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589658640 1173165451 /nfs/dbraw/zinc/16/54/51/1173165451.db2.gz KRJDZCOWGFSGAI-ZYHUDNBSSA-N -1 1 286.339 1.426 20 0 CDADMM CC(C)[C@@H]1C[C@H]1CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589763397 1173175396 /nfs/dbraw/zinc/17/53/96/1173175396.db2.gz ISHKLABTCLDWDY-WPRPVWTQSA-N -1 1 291.380 1.950 20 0 CDADMM CC(C)n1ccnc1Sc1cc(-c2nnn[n-]2)ncn1 ZINC001589783233 1173179787 /nfs/dbraw/zinc/17/97/87/1173179787.db2.gz BIDLHKKDZIWGOR-UHFFFAOYSA-N -1 1 288.340 1.585 20 0 CDADMM CC(C)n1ccnc1Sc1cc(-c2nn[n-]n2)ncn1 ZINC001589783233 1173179789 /nfs/dbraw/zinc/17/97/89/1173179789.db2.gz BIDLHKKDZIWGOR-UHFFFAOYSA-N -1 1 288.340 1.585 20 0 CDADMM C[C@@H](C1CC1)N(C(=O)c1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001589787450 1173182235 /nfs/dbraw/zinc/18/22/35/1173182235.db2.gz RQPLPVKRCMWKSQ-VIFPVBQESA-N -1 1 298.350 1.665 20 0 CDADMM C[C@@H](C1CC1)N(C(=O)c1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001589787450 1173182239 /nfs/dbraw/zinc/18/22/39/1173182239.db2.gz RQPLPVKRCMWKSQ-VIFPVBQESA-N -1 1 298.350 1.665 20 0 CDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)c1nccs1 ZINC001589879375 1173191674 /nfs/dbraw/zinc/19/16/74/1173191674.db2.gz NSAJEXQVBIMWAW-SSDOTTSWSA-N -1 1 288.340 1.329 20 0 CDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)c1nccs1 ZINC001589879375 1173191684 /nfs/dbraw/zinc/19/16/84/1173191684.db2.gz NSAJEXQVBIMWAW-SSDOTTSWSA-N -1 1 288.340 1.329 20 0 CDADMM CC(F)(F)CCNc1ccnc(-c2nnn[n-]2)c1 ZINC001589910543 1173200398 /nfs/dbraw/zinc/20/03/98/1173200398.db2.gz OYJMPUOGUYCZRT-UHFFFAOYSA-N -1 1 254.244 1.719 20 0 CDADMM CC(F)(F)CCNc1ccnc(-c2nn[n-]n2)c1 ZINC001589910543 1173200403 /nfs/dbraw/zinc/20/04/03/1173200403.db2.gz OYJMPUOGUYCZRT-UHFFFAOYSA-N -1 1 254.244 1.719 20 0 CDADMM C[C@@H](Cn1cnc(-c2nn[n-]n2)cc1=O)C(C)(C)C ZINC001589903544 1173201527 /nfs/dbraw/zinc/20/15/27/1173201527.db2.gz FGFSCSSLIQWXOT-QMMMGPOBSA-N -1 1 262.317 1.106 20 0 CDADMM C[C@@H](O)CCCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589998246 1173227771 /nfs/dbraw/zinc/22/77/71/1173227771.db2.gz IHTJGGPHQGIJIR-RXMQYKEDSA-N -1 1 288.764 1.550 20 0 CDADMM C[C@@H](O)CCCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001589998246 1173227763 /nfs/dbraw/zinc/22/77/63/1173227763.db2.gz IHTJGGPHQGIJIR-RXMQYKEDSA-N -1 1 288.764 1.550 20 0 CDADMM C[C@@H](SCc1ccc(-c2nnn[n-]2)o1)C(=O)NC1CC1 ZINC001590032838 1173234158 /nfs/dbraw/zinc/23/41/58/1173234158.db2.gz GAOMDGOVVBFUJI-SSDOTTSWSA-N -1 1 293.352 1.360 20 0 CDADMM C[C@@H](SCc1ccc(-c2nn[n-]n2)o1)C(=O)NC1CC1 ZINC001590032838 1173234161 /nfs/dbraw/zinc/23/41/61/1173234161.db2.gz GAOMDGOVVBFUJI-SSDOTTSWSA-N -1 1 293.352 1.360 20 0 CDADMM C[C@H](SCc1ccc(-c2nnn[n-]2)o1)c1nncn1C ZINC001590033436 1173235483 /nfs/dbraw/zinc/23/54/83/1173235483.db2.gz MHBMEZVMPQTZEU-ZETCQYMHSA-N -1 1 291.340 1.583 20 0 CDADMM C[C@H](SCc1ccc(-c2nn[n-]n2)o1)c1nncn1C ZINC001590033436 1173235491 /nfs/dbraw/zinc/23/54/91/1173235491.db2.gz MHBMEZVMPQTZEU-ZETCQYMHSA-N -1 1 291.340 1.583 20 0 CDADMM CC1(C)CC[C@@H]1C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001590092088 1173253887 /nfs/dbraw/zinc/25/38/87/1173253887.db2.gz DKNWXKOFECVPBH-SNVBAGLBSA-N -1 1 287.323 1.741 20 0 CDADMM CC1(C)CC[C@@H]1C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001590092088 1173253891 /nfs/dbraw/zinc/25/38/91/1173253891.db2.gz DKNWXKOFECVPBH-SNVBAGLBSA-N -1 1 287.323 1.741 20 0 CDADMM CC1(C)CC[C@H]1C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001590093080 1173254004 /nfs/dbraw/zinc/25/40/04/1173254004.db2.gz NHUOSZCGUHKEPB-NSHDSACASA-N -1 1 287.323 1.713 20 0 CDADMM CC1(C)CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)OC1 ZINC001590089734 1173254693 /nfs/dbraw/zinc/25/46/93/1173254693.db2.gz CVJAVQVMHJSNIQ-VIFPVBQESA-N -1 1 289.343 1.274 20 0 CDADMM CC1(C)CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)OC1 ZINC001590089734 1173254700 /nfs/dbraw/zinc/25/47/00/1173254700.db2.gz CVJAVQVMHJSNIQ-VIFPVBQESA-N -1 1 289.343 1.274 20 0 CDADMM CC1(CCOC(=O)c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590128342 1173265842 /nfs/dbraw/zinc/26/58/42/1173265842.db2.gz WDUYRULRVMEKLR-UHFFFAOYSA-N -1 1 273.296 1.609 20 0 CDADMM CC1(COC(=O)c2cccc(-c3nnn[n-]3)n2)CCC1 ZINC001590136678 1173271021 /nfs/dbraw/zinc/27/10/21/1173271021.db2.gz PEFRNRQEPRKDCB-UHFFFAOYSA-N -1 1 273.296 1.609 20 0 CDADMM CC1(COC(=O)c2cccc(-c3nn[n-]n3)n2)CCC1 ZINC001590136678 1173271025 /nfs/dbraw/zinc/27/10/25/1173271025.db2.gz PEFRNRQEPRKDCB-UHFFFAOYSA-N -1 1 273.296 1.609 20 0 CDADMM CC1(c2ccccc2)CN(c2nccnc2-c2nnn[n-]2)C1 ZINC001590152917 1173274296 /nfs/dbraw/zinc/27/42/96/1173274296.db2.gz GYZVGRHPHRTUHQ-UHFFFAOYSA-N -1 1 293.334 1.435 20 0 CDADMM CC1(c2ccccc2)CN(c2nccnc2-c2nn[n-]n2)C1 ZINC001590152917 1173274302 /nfs/dbraw/zinc/27/43/02/1173274302.db2.gz GYZVGRHPHRTUHQ-UHFFFAOYSA-N -1 1 293.334 1.435 20 0 CDADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590222725 1173300775 /nfs/dbraw/zinc/30/07/75/1173300775.db2.gz ZKUTYAZJJYHEHK-SECBINFHSA-N -1 1 287.323 1.864 20 0 CDADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590222725 1173300782 /nfs/dbraw/zinc/30/07/82/1173300782.db2.gz ZKUTYAZJJYHEHK-SECBINFHSA-N -1 1 287.323 1.864 20 0 CDADMM C[C@@H]1CC[C@H](C)CN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590227828 1173304719 /nfs/dbraw/zinc/30/47/19/1173304719.db2.gz RYVBJAAXUBHWOF-DTWKUNHWSA-N -1 1 275.312 1.720 20 0 CDADMM C[C@@H]1CC[C@H](OC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590241292 1173314675 /nfs/dbraw/zinc/31/46/75/1173314675.db2.gz VUACBUUMJAQHHF-KOLCDFICSA-N -1 1 287.323 1.536 20 0 CDADMM C[C@@H]1CC[C@H](OC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590241292 1173314683 /nfs/dbraw/zinc/31/46/83/1173314683.db2.gz VUACBUUMJAQHHF-KOLCDFICSA-N -1 1 287.323 1.536 20 0 CDADMM C[C@H]1CCN1c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590277524 1173337562 /nfs/dbraw/zinc/33/75/62/1173337562.db2.gz SUTAMYUPGVGFDP-ZETCQYMHSA-N -1 1 257.301 1.133 20 0 CDADMM C[C@H]1SCC[C@@H]1Nc1cccnc1-c1nnn[n-]1 ZINC001590338563 1173363403 /nfs/dbraw/zinc/36/34/03/1173363403.db2.gz UAWBBLSVSOSICO-SFYZADRCSA-N -1 1 262.342 1.568 20 0 CDADMM C[C@H]1SCC[C@@H]1Nc1cccnc1-c1nn[n-]n1 ZINC001590338563 1173363411 /nfs/dbraw/zinc/36/34/11/1173363411.db2.gz UAWBBLSVSOSICO-SFYZADRCSA-N -1 1 262.342 1.568 20 0 CDADMM CC/C(C)=C\C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001590392357 1173386504 /nfs/dbraw/zinc/38/65/04/1173386504.db2.gz YRISPNPMHGDWNY-KTKRTIGZSA-N -1 1 298.350 1.897 20 0 CDADMM CC/C(C)=C\C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001590392357 1173386509 /nfs/dbraw/zinc/38/65/09/1173386509.db2.gz YRISPNPMHGDWNY-KTKRTIGZSA-N -1 1 298.350 1.897 20 0 CDADMM CC[C@H](C)CN(CC)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590411347 1173400173 /nfs/dbraw/zinc/40/01/73/1173400173.db2.gz VTUFZGRVJZURSB-JTQLQIEISA-N -1 1 288.355 1.770 20 0 CDADMM CC[C@H](C)CN(CC)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590411347 1173400179 /nfs/dbraw/zinc/40/01/79/1173400179.db2.gz VTUFZGRVJZURSB-JTQLQIEISA-N -1 1 288.355 1.770 20 0 CDADMM CC[C@H](Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1CCCOC1 ZINC001590473873 1173425398 /nfs/dbraw/zinc/42/53/98/1173425398.db2.gz TVJSJVPYLPHWNK-MNOVXSKESA-N -1 1 288.355 1.879 20 0 CDADMM CC[C@H](Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1CCCOC1 ZINC001590473873 1173425404 /nfs/dbraw/zinc/42/54/04/1173425404.db2.gz TVJSJVPYLPHWNK-MNOVXSKESA-N -1 1 288.355 1.879 20 0 CDADMM CCC1(C)CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001590490605 1173434588 /nfs/dbraw/zinc/43/45/88/1173434588.db2.gz QVLQXJZJXHLGNM-UHFFFAOYSA-N -1 1 289.314 1.878 20 0 CDADMM CCC1(C)CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001590490605 1173434591 /nfs/dbraw/zinc/43/45/91/1173434591.db2.gz QVLQXJZJXHLGNM-UHFFFAOYSA-N -1 1 289.314 1.878 20 0 CDADMM CC[C@@H]1[C@@H](C)CCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001590502289 1173435984 /nfs/dbraw/zinc/43/59/84/1173435984.db2.gz NLFGCAUCCOGTHS-WCBMZHEXSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@@H]1[C@@H](C)CCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001590502289 1173435988 /nfs/dbraw/zinc/43/59/88/1173435988.db2.gz NLFGCAUCCOGTHS-WCBMZHEXSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@@H]1CCC[C@H]1C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001590507646 1173443561 /nfs/dbraw/zinc/44/35/61/1173443561.db2.gz KKXBSXAGEWZIJK-RKDXNWHRSA-N -1 1 289.343 1.663 20 0 CDADMM CCN(C)C(=O)CSCc1ccc(-c2nn[n-]n2)o1 ZINC001590676556 1173487587 /nfs/dbraw/zinc/48/75/87/1173487587.db2.gz HEIXEOSCDFONFJ-UHFFFAOYSA-N -1 1 281.341 1.171 20 0 CDADMM CCN(C)C(=O)CSCc1ccc(-c2nnn[n-]2)o1 ZINC001590676556 1173487580 /nfs/dbraw/zinc/48/75/80/1173487580.db2.gz HEIXEOSCDFONFJ-UHFFFAOYSA-N -1 1 281.341 1.171 20 0 CDADMM CCOC(=O)[C@@H](CC)Sc1cccnc1-c1nnn[n-]1 ZINC001590752664 1173506747 /nfs/dbraw/zinc/50/67/47/1173506747.db2.gz OECYOVWAJJTLEY-MRVPVSSYSA-N -1 1 293.352 1.696 20 0 CDADMM CCOC(=O)[C@@H](CC)Sc1cccnc1-c1nn[n-]n1 ZINC001590752664 1173506751 /nfs/dbraw/zinc/50/67/51/1173506751.db2.gz OECYOVWAJJTLEY-MRVPVSSYSA-N -1 1 293.352 1.696 20 0 CDADMM CCOCc1nnc(-c2cc(-c3nnn[n-]3)oc2C)o1 ZINC001590819103 1173522890 /nfs/dbraw/zinc/52/28/90/1173522890.db2.gz UAQGZPNHUORJKM-UHFFFAOYSA-N -1 1 276.256 1.355 20 0 CDADMM CCOCc1nnc(-c2cc(-c3nn[n-]n3)oc2C)o1 ZINC001590819103 1173522893 /nfs/dbraw/zinc/52/28/93/1173522893.db2.gz UAQGZPNHUORJKM-UHFFFAOYSA-N -1 1 276.256 1.355 20 0 CDADMM CCO[C@H]1C[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590822845 1173524489 /nfs/dbraw/zinc/52/44/89/1173524489.db2.gz KFHLNVMUSKWLEN-OCAPTIKFSA-N -1 1 278.268 1.184 20 0 CDADMM CCc1ccc2c(c1)CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001590892538 1173536287 /nfs/dbraw/zinc/53/62/87/1173536287.db2.gz XCNAYJOWMOLXPR-UHFFFAOYSA-N -1 1 293.334 1.913 20 0 CDADMM CCc1ccc2c(c1)CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001590892538 1173536294 /nfs/dbraw/zinc/53/62/94/1173536294.db2.gz XCNAYJOWMOLXPR-UHFFFAOYSA-N -1 1 293.334 1.913 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC(C(C)C)C2)n1 ZINC001590904849 1173538285 /nfs/dbraw/zinc/53/82/85/1173538285.db2.gz LBXNTJYLJOSWPO-UHFFFAOYSA-N -1 1 273.344 1.311 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC(C(C)C)C2)n1 ZINC001590904849 1173538292 /nfs/dbraw/zinc/53/82/92/1173538292.db2.gz LBXNTJYLJOSWPO-UHFFFAOYSA-N -1 1 273.344 1.311 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](C)[C@@H](F)C2)n1 ZINC001590905974 1173538662 /nfs/dbraw/zinc/53/86/62/1173538662.db2.gz UEMZOEIPGBUZAI-IUCAKERBSA-N -1 1 291.334 1.403 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](C)[C@@H](F)C2)n1 ZINC001590905974 1173538666 /nfs/dbraw/zinc/53/86/66/1173538666.db2.gz UEMZOEIPGBUZAI-IUCAKERBSA-N -1 1 291.334 1.403 20 0 CDADMM CCc1nc(N[C@H](C)c2ccc[nH]2)cc(-c2nnn[n-]2)n1 ZINC001590917413 1173541223 /nfs/dbraw/zinc/54/12/23/1173541223.db2.gz VJOUHHJPFTZOPC-MRVPVSSYSA-N -1 1 284.327 1.720 20 0 CDADMM CCc1nc(N[C@H](C)c2ccc[nH]2)cc(-c2nn[n-]n2)n1 ZINC001590917413 1173541228 /nfs/dbraw/zinc/54/12/28/1173541228.db2.gz VJOUHHJPFTZOPC-MRVPVSSYSA-N -1 1 284.327 1.720 20 0 CDADMM CN(C[C@@H]1CC1(C)C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591051555 1173564406 /nfs/dbraw/zinc/56/44/06/1173564406.db2.gz XYDVXIXZAWKOMN-VIFPVBQESA-N -1 1 275.312 1.578 20 0 CDADMM CN(C[C@@H]1CC1(C)C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591051555 1173564412 /nfs/dbraw/zinc/56/44/12/1173564412.db2.gz XYDVXIXZAWKOMN-VIFPVBQESA-N -1 1 275.312 1.578 20 0 CDADMM CO[C@@H](C)[C@H](C)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001591325158 1173612766 /nfs/dbraw/zinc/61/27/66/1173612766.db2.gz WXKMLDGSFSTCPZ-BQBZGAKWSA-N -1 1 281.341 1.081 20 0 CDADMM CO[C@@H](C)[C@H](C)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001591325158 1173612772 /nfs/dbraw/zinc/61/27/72/1173612772.db2.gz WXKMLDGSFSTCPZ-BQBZGAKWSA-N -1 1 281.341 1.081 20 0 CDADMM CO[C@H]1CC[C@H]1N(C)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591352748 1173624598 /nfs/dbraw/zinc/62/45/98/1173624598.db2.gz AFJONRNPBICAIZ-BDAKNGLRSA-N -1 1 293.352 1.178 20 0 CDADMM COCC1(CCNc2ncncc2-c2nn[n-]n2)CCC1 ZINC001591388211 1173638698 /nfs/dbraw/zinc/63/86/98/1173638698.db2.gz XYTGERBDLLLQJI-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM COCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001591391015 1173642288 /nfs/dbraw/zinc/64/22/88/1173642288.db2.gz SPAVMAVLWQOKMQ-UHFFFAOYSA-N -1 1 275.316 1.028 20 0 CDADMM COCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001591391015 1173642298 /nfs/dbraw/zinc/64/22/98/1173642298.db2.gz SPAVMAVLWQOKMQ-UHFFFAOYSA-N -1 1 275.316 1.028 20 0 CDADMM COc1cccc2c1CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001591643514 1173677073 /nfs/dbraw/zinc/67/70/73/1173677073.db2.gz NHQAAIHCPLGTHI-UHFFFAOYSA-N -1 1 295.306 1.186 20 0 CDADMM COc1cccc2c1CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001591643514 1173677083 /nfs/dbraw/zinc/67/70/83/1173677083.db2.gz NHQAAIHCPLGTHI-UHFFFAOYSA-N -1 1 295.306 1.186 20 0 CDADMM CSC(C)(C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001591685040 1173677964 /nfs/dbraw/zinc/67/79/64/1173677964.db2.gz OOJFMLVZYSXMET-UHFFFAOYSA-N -1 1 293.352 1.447 20 0 CDADMM CSC(C)(C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001591685040 1173677971 /nfs/dbraw/zinc/67/79/71/1173677971.db2.gz OOJFMLVZYSXMET-UHFFFAOYSA-N -1 1 293.352 1.447 20 0 CDADMM C[C@@H]1C[C@H](C)CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001591734617 1173694803 /nfs/dbraw/zinc/69/48/03/1173694803.db2.gz JZIWOGYEPZCTOR-NXEZZACHSA-N -1 1 289.339 1.968 20 0 CDADMM C[C@@H]1C[C@H](C)CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001591734617 1173694806 /nfs/dbraw/zinc/69/48/06/1173694806.db2.gz JZIWOGYEPZCTOR-NXEZZACHSA-N -1 1 289.339 1.968 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCC[C@@H](C)C2)n1 ZINC001591882653 1173734858 /nfs/dbraw/zinc/73/48/58/1173734858.db2.gz OOIZIGRXFHAGFI-KOLCDFICSA-N -1 1 287.371 1.980 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCC[C@@H](C)C2)n1 ZINC001591882653 1173734861 /nfs/dbraw/zinc/73/48/61/1173734861.db2.gz OOIZIGRXFHAGFI-KOLCDFICSA-N -1 1 287.371 1.980 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC(C)(CC(F)F)C2)n1 ZINC001591883774 1173736780 /nfs/dbraw/zinc/73/67/80/1173736780.db2.gz FWMAFVXJCXEJDN-UHFFFAOYSA-N -1 1 295.297 1.447 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC3CCC2CC3)n1 ZINC001591885960 1173738947 /nfs/dbraw/zinc/73/89/47/1173738947.db2.gz YPSLOAXXWUGSDM-UHFFFAOYSA-N -1 1 271.328 1.344 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC3CCC2CC3)n1 ZINC001591885960 1173738953 /nfs/dbraw/zinc/73/89/53/1173738953.db2.gz YPSLOAXXWUGSDM-UHFFFAOYSA-N -1 1 271.328 1.344 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(Oc2cccnc2Cl)n1 ZINC001591903323 1173744607 /nfs/dbraw/zinc/74/46/07/1173744607.db2.gz JVXMKBWKLFFIFK-UHFFFAOYSA-N -1 1 289.686 1.806 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(Oc2cccnc2Cl)n1 ZINC001591903323 1173744610 /nfs/dbraw/zinc/74/46/10/1173744610.db2.gz JVXMKBWKLFFIFK-UHFFFAOYSA-N -1 1 289.686 1.806 20 0 CDADMM Cc1cc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)ccc1F ZINC001591934299 1173749716 /nfs/dbraw/zinc/74/97/16/1173749716.db2.gz OENUZGACOQKHAV-UHFFFAOYSA-N -1 1 287.258 1.290 20 0 CDADMM Cc1cc(C)cc(CN(C)c2cncc(-c3nnn[n-]3)n2)c1 ZINC001591951325 1173754236 /nfs/dbraw/zinc/75/42/36/1173754236.db2.gz QISIWTGTJUAOKK-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1cc(C)cc(CN(C)c2cncc(-c3nn[n-]n3)n2)c1 ZINC001591951325 1173754241 /nfs/dbraw/zinc/75/42/41/1173754241.db2.gz QISIWTGTJUAOKK-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1cc(N2CC[C@@H](O)C(C)(C)C2)cc(-c2nnn[n-]2)n1 ZINC001592002199 1173770312 /nfs/dbraw/zinc/77/03/12/1173770312.db2.gz NDXLSPSHMKOTTQ-GFCCVEGCSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(N2CC[C@@H](O)C(C)(C)C2)cc(-c2nn[n-]n2)n1 ZINC001592002199 1173770316 /nfs/dbraw/zinc/77/03/16/1173770316.db2.gz NDXLSPSHMKOTTQ-GFCCVEGCSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(N[C@H]2C[C@H](O)C23CCC3)nc(-c2nnn[n-]2)c1 ZINC001592036178 1173779735 /nfs/dbraw/zinc/77/97/35/1173779735.db2.gz GKVRFUYWNUVDIS-QWRGUYRKSA-N -1 1 286.339 1.286 20 0 CDADMM Cc1cc(N[C@H]2C[C@H](O)C23CCC3)nc(-c2nn[n-]n2)c1 ZINC001592036178 1173779742 /nfs/dbraw/zinc/77/97/42/1173779742.db2.gz GKVRFUYWNUVDIS-QWRGUYRKSA-N -1 1 286.339 1.286 20 0 CDADMM Cc1cc(NCCC(C)(C)O)cc(-c2nnn[n-]2)n1 ZINC001592046765 1173786579 /nfs/dbraw/zinc/78/65/79/1173786579.db2.gz NACDDVYPCGBPNC-UHFFFAOYSA-N -1 1 262.317 1.143 20 0 CDADMM Cc1cc(NCCC(C)(C)O)cc(-c2nn[n-]n2)n1 ZINC001592046765 1173786581 /nfs/dbraw/zinc/78/65/81/1173786581.db2.gz NACDDVYPCGBPNC-UHFFFAOYSA-N -1 1 262.317 1.143 20 0 CDADMM Cc1cc(NCCC2(CO)CC2)cc(-c2nnn[n-]2)n1 ZINC001592046626 1173787710 /nfs/dbraw/zinc/78/77/10/1173787710.db2.gz UZGIWAFMRBQIHW-UHFFFAOYSA-N -1 1 274.328 1.145 20 0 CDADMM Cc1cc(NCCC2(CO)CC2)cc(-c2nn[n-]n2)n1 ZINC001592046626 1173787715 /nfs/dbraw/zinc/78/77/15/1173787715.db2.gz UZGIWAFMRBQIHW-UHFFFAOYSA-N -1 1 274.328 1.145 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@@H]1CCCSC1 ZINC001592115145 1173804053 /nfs/dbraw/zinc/80/40/53/1173804053.db2.gz ZAWILZTVIXLFQF-SECBINFHSA-N -1 1 276.369 1.878 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001592184021 1173827376 /nfs/dbraw/zinc/82/73/76/1173827376.db2.gz OLADNCLZDHNHSN-JGPRNRPPSA-N -1 1 288.355 1.938 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001592184021 1173827383 /nfs/dbraw/zinc/82/73/83/1173827383.db2.gz OLADNCLZDHNHSN-JGPRNRPPSA-N -1 1 288.355 1.938 20 0 CDADMM Cc1ccc2c(c1)[C@H](Nc1cncc(-c3nnn[n-]3)n1)CO2 ZINC001592201029 1173834162 /nfs/dbraw/zinc/83/41/62/1173834162.db2.gz OTBURLDHHFHAGV-LLVKDONJSA-N -1 1 295.306 1.511 20 0 CDADMM Cc1ccc2c(c1)[C@H](Nc1cncc(-c3nn[n-]n3)n1)CO2 ZINC001592201029 1173834165 /nfs/dbraw/zinc/83/41/65/1173834165.db2.gz OTBURLDHHFHAGV-LLVKDONJSA-N -1 1 295.306 1.511 20 0 CDADMM Cc1ccn(CCc2cscn2)c(=O)c1-c1nn[n-]n1 ZINC001592266148 1173839302 /nfs/dbraw/zinc/83/93/02/1173839302.db2.gz OBHVFLYUAYGAQL-UHFFFAOYSA-N -1 1 288.336 1.036 20 0 CDADMM Cc1cscc1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592324279 1173854487 /nfs/dbraw/zinc/85/44/87/1173854487.db2.gz BNTBTKATGNYCNW-UHFFFAOYSA-N -1 1 289.320 1.760 20 0 CDADMM Cc1cscc1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592324279 1173854491 /nfs/dbraw/zinc/85/44/91/1173854491.db2.gz BNTBTKATGNYCNW-UHFFFAOYSA-N -1 1 289.320 1.760 20 0 CDADMM Cc1ncccc1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001592416863 1173884584 /nfs/dbraw/zinc/88/45/84/1173884584.db2.gz ANPZZWIADYJNHY-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1ncccc1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001592416863 1173884589 /nfs/dbraw/zinc/88/45/89/1173884589.db2.gz ANPZZWIADYJNHY-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM ClC1(Cl)C[C@@H]1CCn1ccnc1-c1nnn[n-]1 ZINC001592523430 1173910976 /nfs/dbraw/zinc/91/09/76/1173910976.db2.gz AVUHCCPCXNKWPD-LURJTMIESA-N -1 1 273.127 1.647 20 0 CDADMM ClC1(Cl)C[C@@H]1CCn1ccnc1-c1nn[n-]n1 ZINC001592523430 1173910978 /nfs/dbraw/zinc/91/09/78/1173910978.db2.gz AVUHCCPCXNKWPD-LURJTMIESA-N -1 1 273.127 1.647 20 0 CDADMM FC1(F)C[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001592630588 1173939400 /nfs/dbraw/zinc/93/94/00/1173939400.db2.gz OOPNQLFFCNCDDE-ZCFIWIBFSA-N -1 1 267.243 1.114 20 0 CDADMM FC1(F)C[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001592630588 1173939406 /nfs/dbraw/zinc/93/94/06/1173939406.db2.gz OOPNQLFFCNCDDE-ZCFIWIBFSA-N -1 1 267.243 1.114 20 0 CDADMM Fc1cccc2c1N(Cc1cccc(-c3nnn[n-]3)n1)CC2 ZINC001592661255 1173958075 /nfs/dbraw/zinc/95/80/75/1173958075.db2.gz NDQOMQCMBRYYGS-UHFFFAOYSA-N -1 1 296.309 1.964 20 0 CDADMM Fc1cccc2c1N(Cc1cccc(-c3nn[n-]n3)n1)CC2 ZINC001592661255 1173958081 /nfs/dbraw/zinc/95/80/81/1173958081.db2.gz NDQOMQCMBRYYGS-UHFFFAOYSA-N -1 1 296.309 1.964 20 0 CDADMM Fc1cccc2c1CN(c1ccnc(-c3nnn[n-]3)c1)CC2 ZINC001592660476 1173958249 /nfs/dbraw/zinc/95/82/49/1173958249.db2.gz BCGZDVDQXVEAMO-UHFFFAOYSA-N -1 1 296.309 1.964 20 0 CDADMM Fc1cccc2c1CN(c1ccnc(-c3nn[n-]n3)c1)CC2 ZINC001592660476 1173958256 /nfs/dbraw/zinc/95/82/56/1173958256.db2.gz BCGZDVDQXVEAMO-UHFFFAOYSA-N -1 1 296.309 1.964 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001592754917 1173986712 /nfs/dbraw/zinc/98/67/12/1173986712.db2.gz WGDOZVUUPPCMPD-AYMMMOKOSA-N -1 1 287.327 1.112 20 0 CDADMM O=C(CC1(CO)CC1)OCc1ccc(-c2nn[n-]n2)s1 ZINC001592805386 1173991125 /nfs/dbraw/zinc/99/11/25/1173991125.db2.gz YYXQLPLQUPSPPC-UHFFFAOYSA-N -1 1 294.336 1.134 20 0 CDADMM O=C(NC12CCC(CC1)C2)c1ccnc(-c2nnn[n-]2)c1 ZINC001592962917 1174006656 /nfs/dbraw/zinc/00/66/56/1174006656.db2.gz ZILOWLCHVROULT-UHFFFAOYSA-N -1 1 284.323 1.324 20 0 CDADMM O=C(NC12CCC(CC1)C2)c1ccnc(-c2nn[n-]n2)c1 ZINC001592962917 1174006659 /nfs/dbraw/zinc/00/66/59/1174006659.db2.gz ZILOWLCHVROULT-UHFFFAOYSA-N -1 1 284.323 1.324 20 0 CDADMM O=C(NCCC[C@@H]1C=CCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593066767 1174020489 /nfs/dbraw/zinc/02/04/89/1174020489.db2.gz LMRQNTTWEYCQBR-LLVKDONJSA-N -1 1 298.350 1.738 20 0 CDADMM O=C(NCCC[C@@H]1C=CCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593066767 1174020498 /nfs/dbraw/zinc/02/04/98/1174020498.db2.gz LMRQNTTWEYCQBR-LLVKDONJSA-N -1 1 298.350 1.738 20 0 CDADMM O=C(NO[C@@H]1CCCCO1)c1csc(-c2nn[n-]n2)c1 ZINC001593166400 1174025894 /nfs/dbraw/zinc/02/58/94/1174025894.db2.gz JJPHBLTVQSSRLP-SECBINFHSA-N -1 1 295.324 1.116 20 0 CDADMM O=C(N[C@@H]1CCCC[C@@H]1F)c1ccc(-c2nnn[n-]2)nc1 ZINC001593173740 1174029906 /nfs/dbraw/zinc/02/99/06/1174029906.db2.gz LBDPQOSHJPWKHB-VHSXEESVSA-N -1 1 290.302 1.272 20 0 CDADMM O=C(N[C@@H]1CCCC[C@@H]1F)c1ccc(-c2nn[n-]n2)nc1 ZINC001593173740 1174029911 /nfs/dbraw/zinc/02/99/11/1174029911.db2.gz LBDPQOSHJPWKHB-VHSXEESVSA-N -1 1 290.302 1.272 20 0 CDADMM O=C(O[C@@H]1COc2ccccc21)c1coc(-c2nnn[n-]2)c1 ZINC001593281763 1174048934 /nfs/dbraw/zinc/04/89/34/1174048934.db2.gz ZXACXLMOJKERBW-GFCCVEGCSA-N -1 1 298.258 1.750 20 0 CDADMM O=C(O[C@@H]1COc2ccccc21)c1coc(-c2nn[n-]n2)c1 ZINC001593281763 1174048940 /nfs/dbraw/zinc/04/89/40/1174048940.db2.gz ZXACXLMOJKERBW-GFCCVEGCSA-N -1 1 298.258 1.750 20 0 CDADMM O=C(OC[C@H]1C[C@@]12CCOC2)c1coc(-c2nnn[n-]2)c1 ZINC001593284998 1174052731 /nfs/dbraw/zinc/05/27/31/1174052731.db2.gz PUTOFTMZFFHANY-NOZJJQNGSA-N -1 1 290.279 1.043 20 0 CDADMM O=C(OC[C@H]1C[C@@]12CCOC2)c1coc(-c2nn[n-]n2)c1 ZINC001593284998 1174052737 /nfs/dbraw/zinc/05/27/37/1174052737.db2.gz PUTOFTMZFFHANY-NOZJJQNGSA-N -1 1 290.279 1.043 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC=C(Cl)C1 ZINC001593358790 1174070135 /nfs/dbraw/zinc/07/01/35/1174070135.db2.gz OTDAHJKVFNXRMX-UHFFFAOYSA-N -1 1 290.714 1.230 20 0 CDADMM O=C(c1ccsc1-c1nnn[n-]1)N1CC2(CC2)C1 ZINC001593361101 1174070472 /nfs/dbraw/zinc/07/04/72/1174070472.db2.gz XCXWVDGIDHESEB-UHFFFAOYSA-N -1 1 261.310 1.164 20 0 CDADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC[C@H]2C[C@H]21 ZINC001593361935 1174071155 /nfs/dbraw/zinc/07/11/55/1174071155.db2.gz BXUHGGIILGREQG-IONNQARKSA-N -1 1 275.337 1.553 20 0 CDADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCC[C@H]2C[C@H]21 ZINC001593361935 1174071163 /nfs/dbraw/zinc/07/11/63/1174071163.db2.gz BXUHGGIILGREQG-IONNQARKSA-N -1 1 275.337 1.553 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCCCCCC1 ZINC001593358448 1174071995 /nfs/dbraw/zinc/07/19/95/1174071995.db2.gz HVSYKVQLJXBUOL-UHFFFAOYSA-N -1 1 286.339 1.668 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCCCCCC1 ZINC001593358448 1174072001 /nfs/dbraw/zinc/07/20/01/1174072001.db2.gz HVSYKVQLJXBUOL-UHFFFAOYSA-N -1 1 286.339 1.668 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1CC1CC2(CCC2)C1 ZINC001593493398 1174087003 /nfs/dbraw/zinc/08/70/03/1174087003.db2.gz GSJHSEACXKXYKK-UHFFFAOYSA-N -1 1 271.324 1.609 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CCOC[C@@H]2C2CCC2)c1 ZINC001593549695 1174121401 /nfs/dbraw/zinc/12/14/01/1174121401.db2.gz BCLMSMACLOBFSW-GFCCVEGCSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CCOC[C@@H]2C2CCC2)c1 ZINC001593549695 1174121404 /nfs/dbraw/zinc/12/14/04/1174121404.db2.gz BCLMSMACLOBFSW-GFCCVEGCSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(-c2nnn[n-]2)ncc1-c1nc([C@H]2CCCOC2)no1 ZINC001593551549 1174123270 /nfs/dbraw/zinc/12/32/70/1174123270.db2.gz NGSJWZCDWUIITD-VIFPVBQESA-N -1 1 299.294 1.206 20 0 CDADMM c1cc(-c2nn[n-]n2)ncc1-c1nc([C@H]2CCCOC2)no1 ZINC001593551549 1174123273 /nfs/dbraw/zinc/12/32/73/1174123273.db2.gz NGSJWZCDWUIITD-VIFPVBQESA-N -1 1 299.294 1.206 20 0 CDADMM c1cc(CCNc2cccc(-c3nnn[n-]3)n2)sn1 ZINC001593560933 1174136828 /nfs/dbraw/zinc/13/68/28/1174136828.db2.gz NLWWQRXWYRFGFB-UHFFFAOYSA-N -1 1 273.325 1.373 20 0 CDADMM c1cc(CCNc2cccc(-c3nn[n-]n3)n2)sn1 ZINC001593560933 1174136831 /nfs/dbraw/zinc/13/68/31/1174136831.db2.gz NLWWQRXWYRFGFB-UHFFFAOYSA-N -1 1 273.325 1.373 20 0 CDADMM c1ccc([C@@H]2CCN(c3cccnc3-c3nnn[n-]3)C2)nc1 ZINC001593573092 1174145559 /nfs/dbraw/zinc/14/55/59/1174145559.db2.gz KVBKMIMUUHJMRH-LLVKDONJSA-N -1 1 293.334 1.651 20 0 CDADMM c1ccc([C@@H]2CCN(c3cccnc3-c3nn[n-]n3)C2)nc1 ZINC001593573092 1174145565 /nfs/dbraw/zinc/14/55/65/1174145565.db2.gz KVBKMIMUUHJMRH-LLVKDONJSA-N -1 1 293.334 1.651 20 0 CDADMM c1[nH]nc(NCc2nc3ccccc3o2)c1-c1nnn[n-]1 ZINC001593581234 1174147685 /nfs/dbraw/zinc/14/76/85/1174147685.db2.gz FBYHTAQSAVJOKU-UHFFFAOYSA-N -1 1 282.267 1.343 20 0 CDADMM c1[nH]nc(NCc2nc3ccccc3o2)c1-c1nn[n-]n1 ZINC001593581234 1174147689 /nfs/dbraw/zinc/14/76/89/1174147689.db2.gz FBYHTAQSAVJOKU-UHFFFAOYSA-N -1 1 282.267 1.343 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@@H]2CC[C@@H](C3CC3)O2)n1 ZINC001593583193 1174149193 /nfs/dbraw/zinc/14/91/93/1174149193.db2.gz REPBOBJUBQNCBQ-UWVGGRQHSA-N -1 1 287.327 1.026 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@@H]2CC[C@@H](C3CC3)O2)n1 ZINC001593583193 1174149194 /nfs/dbraw/zinc/14/91/94/1174149194.db2.gz REPBOBJUBQNCBQ-UWVGGRQHSA-N -1 1 287.327 1.026 20 0 CDADMM c1nsnc1CSc1cccnc1-c1nnn[n-]1 ZINC001593583630 1174149996 /nfs/dbraw/zinc/14/99/96/1174149996.db2.gz BWOBFZCUESOXHM-UHFFFAOYSA-N -1 1 277.338 1.406 20 0 CDADMM c1nsnc1CSc1cccnc1-c1nn[n-]n1 ZINC001593583630 1174150002 /nfs/dbraw/zinc/15/00/02/1174150002.db2.gz BWOBFZCUESOXHM-UHFFFAOYSA-N -1 1 277.338 1.406 20 0 CDADMM c1cncc([C@H]2CCN(c3ncncc3-c3nn[n-]n3)C2)c1 ZINC001593587984 1174154882 /nfs/dbraw/zinc/15/48/82/1174154882.db2.gz QREURMSCXCBNDJ-NSHDSACASA-N -1 1 294.322 1.046 20 0 CDADMM c1nc(N[C@@H]2CC[C@H]3C[C@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001593591620 1174159510 /nfs/dbraw/zinc/15/95/10/1174159510.db2.gz RJTPTKBOGHGDHX-XHNCKOQMSA-N -1 1 257.301 1.257 20 0 CDADMM c1nc(N[C@@H]2CC[C@H]3C[C@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001593591620 1174159511 /nfs/dbraw/zinc/15/95/11/1174159511.db2.gz RJTPTKBOGHGDHX-XHNCKOQMSA-N -1 1 257.301 1.257 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NC[C@@H]1C[C@H]1C1CCCC1 ZINC001593594632 1174163295 /nfs/dbraw/zinc/16/32/95/1174163295.db2.gz DLVYLEUKXPBLHP-QWRGUYRKSA-N -1 1 285.355 1.895 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NC[C@@H]1C[C@H]1C1CCCC1 ZINC001593594632 1174163303 /nfs/dbraw/zinc/16/33/03/1174163303.db2.gz DLVYLEUKXPBLHP-QWRGUYRKSA-N -1 1 285.355 1.895 20 0 CDADMM Cc1cn[nH]c1C[S@](=O)Cc1cccc(C(=O)[O-])n1 ZINC001600061620 1174349510 /nfs/dbraw/zinc/34/95/10/1174349510.db2.gz BLHNXZUVRIPODE-LJQANCHMSA-N -1 1 279.321 1.260 20 0 CDADMM Cc1cc(O)c(C(=O)O[C@H](CC(C)(C)C)C(=O)[O-])cn1 ZINC001600065554 1174351513 /nfs/dbraw/zinc/35/15/13/1174351513.db2.gz LFYLGSCAJPISOQ-LLVKDONJSA-N -1 1 281.308 1.730 20 0 CDADMM Cc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)co1 ZINC001600082930 1174355882 /nfs/dbraw/zinc/35/58/82/1174355882.db2.gz HAHCBJNNMHHVPA-JTQLQIEISA-N -1 1 280.324 1.209 20 0 CDADMM Cc1cc(CN2CCn3c(=O)[nH]nc3C2)ccc1C(=O)[O-] ZINC001600196333 1174402073 /nfs/dbraw/zinc/40/20/73/1174402073.db2.gz PSDIUOXSDFSQME-UHFFFAOYSA-N -1 1 288.307 1.006 20 0 CDADMM Cc1cc(CN[C@@H]2CCCCNC2=O)oc1C(=O)[O-] ZINC001600204243 1174406528 /nfs/dbraw/zinc/40/65/28/1174406528.db2.gz CXFNQFCBLNGNAG-SNVBAGLBSA-N -1 1 266.297 1.045 20 0 CDADMM Cc1cccc(OCCN2CCC[C@@H](O)[C@@H]2C(=O)[O-])c1 ZINC001600545942 1174501966 /nfs/dbraw/zinc/50/19/66/1174501966.db2.gz GEJYEVXANPAFLZ-ZIAGYGMSSA-N -1 1 279.336 1.284 20 0 CDADMM Cn1ccc(CN2CC[C@H](C(=O)[O-])C[C@H]2[C@@H]2CCCO2)n1 ZINC001600976351 1174689031 /nfs/dbraw/zinc/68/90/31/1174689031.db2.gz OWVKUUUBJSQMBV-UBHSHLNASA-N -1 1 293.367 1.264 20 0 CDADMM O=C([O-])c1ccc(CNC(=O)CCN2CC[C@H](F)C2)o1 ZINC001601274814 1174820495 /nfs/dbraw/zinc/82/04/95/1174820495.db2.gz LBKBXSMLVZTRIR-VIFPVBQESA-N -1 1 284.287 1.028 20 0 CDADMM O=C([O-])c1c[nH]c2cc(NC(=O)CCc3c[nH]nn3)ccc12 ZINC001601286789 1174824180 /nfs/dbraw/zinc/82/41/80/1174824180.db2.gz PTRKAJWTLRVWKK-UHFFFAOYSA-N -1 1 299.290 1.556 20 0 CDADMM O=C([O-])c1c[nH]c2cc(NC(=O)CCc3cnn[nH]3)ccc12 ZINC001601286789 1174824186 /nfs/dbraw/zinc/82/41/86/1174824186.db2.gz PTRKAJWTLRVWKK-UHFFFAOYSA-N -1 1 299.290 1.556 20 0 CDADMM O=C([O-])[C@]1(C(=O)NCCN2CCC2)C[C@@H]1c1ccccc1 ZINC001601700878 1174954943 /nfs/dbraw/zinc/95/49/43/1174954943.db2.gz OGTKAVCVSIICBY-CZUORRHYSA-N -1 1 288.347 1.067 20 0 CDADMM O=C([O-])[C@@H]1CCN(Cc2ncccn2)[C@@H]2CCC[C@@H]21 ZINC001601828415 1175025897 /nfs/dbraw/zinc/02/58/97/1175025897.db2.gz WSNWERLYYHJHOO-IJLUTSLNSA-N -1 1 261.325 1.552 20 0 CDADMM O=C([O-])/C=C/c1ccc(-c2nc([C@@H]3CCCN3)no2)o1 ZINC001601872405 1175044498 /nfs/dbraw/zinc/04/44/98/1175044498.db2.gz NWLTWEUNJUIXEN-DNQSNQRASA-N -1 1 275.264 1.852 20 0 CDADMM O=C([O-])CC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC001601887473 1175052461 /nfs/dbraw/zinc/05/24/61/1175052461.db2.gz OWZSMLIDTRUYBP-HNNXBMFYSA-N -1 1 285.303 1.359 20 0 CDADMM O=C([O-])C[C@H](CNC(=O)c1cncc2nc[nH]c21)C1CC1 ZINC001601894679 1175056666 /nfs/dbraw/zinc/05/66/66/1175056666.db2.gz OAFNETFBNHBLDK-SECBINFHSA-N -1 1 288.307 1.189 20 0 CDADMM O=C([O-])Cn1cc(CNc2cc3c(cn2)CCCC3)nn1 ZINC001602162030 1175147445 /nfs/dbraw/zinc/14/74/45/1175147445.db2.gz LMBPPZJLYCKIBO-UHFFFAOYSA-N -1 1 287.323 1.249 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](F)CN1c1nc(Cl)nc2[nH]cnc21 ZINC001602197542 1175160146 /nfs/dbraw/zinc/16/01/46/1175160146.db2.gz JYCNLQJAILVZDC-WHFBIAKZSA-N -1 1 285.666 1.008 20 0 CDADMM O=C([O-])c1cc(Br)oc1CN[C@H]1C[C@@H](O)C1 ZINC001602241381 1175177629 /nfs/dbraw/zinc/17/76/29/1175177629.db2.gz INIIYCIROUMNJO-OLQVQODUSA-N -1 1 290.113 1.353 20 0 CDADMM O=C([O-])c1cc(CN2CC[C@](O)(C(F)F)C2)cs1 ZINC001602256916 1175184437 /nfs/dbraw/zinc/18/44/37/1175184437.db2.gz PKKINZUJTZYZMM-LLVKDONJSA-N -1 1 277.292 1.648 20 0 CDADMM O=C([O-])c1cc(CN[C@@H]2CCc3ccccc3OC2)on1 ZINC001602258071 1175185994 /nfs/dbraw/zinc/18/59/94/1175185994.db2.gz BHHCEQFKSAQXBT-LLVKDONJSA-N -1 1 288.303 1.856 20 0 CDADMM O=C([O-])c1ccc(CN2CC[C@H](n3cncn3)C2)c(F)c1 ZINC001602337525 1175211600 /nfs/dbraw/zinc/21/16/00/1175211600.db2.gz FKTUTMUXJWOWHY-LBPRGKRZSA-N -1 1 290.298 1.562 20 0 CDADMM O=C([O-])c1ccc(CN2CCC[C@@H](n3ccnc3)C2)[nH]1 ZINC001602337690 1175211831 /nfs/dbraw/zinc/21/18/31/1175211831.db2.gz ANGPPGODHQYRSG-GFCCVEGCSA-N -1 1 274.324 1.747 20 0 CDADMM O=C([O-])c1ccc(CNCc2cc[nH]c(=O)c2)c(F)c1 ZINC001602347885 1175220643 /nfs/dbraw/zinc/22/06/43/1175220643.db2.gz IQXICHIDQPHFMO-UHFFFAOYSA-N -1 1 276.267 1.914 20 0 CDADMM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)c1c(O)cccc1F ZINC001602622320 1175329285 /nfs/dbraw/zinc/32/92/85/1175329285.db2.gz MOHIXRCGQAOFNW-CLAHSXSESA-N -1 1 279.267 1.611 20 0 CDADMM C(=Cc1ccccc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001602745972 1175381196 /nfs/dbraw/zinc/38/11/96/1175381196.db2.gz ZPIGHJYAVCNNJX-QPJJXVBHSA-N -1 1 279.307 1.782 20 0 CDADMM C(=Cc1ccccc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001602745972 1175381200 /nfs/dbraw/zinc/38/12/00/1175381200.db2.gz ZPIGHJYAVCNNJX-QPJJXVBHSA-N -1 1 279.307 1.782 20 0 CDADMM C1=CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001602750016 1175386132 /nfs/dbraw/zinc/38/61/32/1175386132.db2.gz RGKUSMMCGSUOQM-SNVBAGLBSA-N -1 1 271.328 1.237 20 0 CDADMM CC(C)(C)CCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603075069 1175486007 /nfs/dbraw/zinc/48/60/07/1175486007.db2.gz WMBWYTRZACBQFW-UHFFFAOYSA-N -1 1 263.301 1.626 20 0 CDADMM CC(C)(C)CCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603075069 1175486010 /nfs/dbraw/zinc/48/60/10/1175486010.db2.gz WMBWYTRZACBQFW-UHFFFAOYSA-N -1 1 263.301 1.626 20 0 CDADMM CC(C)[C@H]1C[C@H]1C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001603245443 1175526420 /nfs/dbraw/zinc/52/64/20/1175526420.db2.gz ZWGSEWBJUOPQAM-NXEZZACHSA-N -1 1 276.296 1.795 20 0 CDADMM CC(C)[C@H]1C[C@H]1C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001603245443 1175526425 /nfs/dbraw/zinc/52/64/25/1175526425.db2.gz ZWGSEWBJUOPQAM-NXEZZACHSA-N -1 1 276.296 1.795 20 0 CDADMM CC(C)(C)OC(=O)[C@H]1C[C@H](NCc2cc(C(=O)[O-])no2)C1 ZINC001603501903 1175558562 /nfs/dbraw/zinc/55/85/62/1175558562.db2.gz WMTVBWSLXCMCHK-KYZUINATSA-N -1 1 296.323 1.583 20 0 CDADMM CC(C)(CCNC(=O)c1cncc2nc[nH]c21)C(=O)[O-] ZINC001603607578 1175576790 /nfs/dbraw/zinc/57/67/90/1175576790.db2.gz IDVCSISOGYTWHH-UHFFFAOYSA-N -1 1 276.296 1.189 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1cccnc1 ZINC001603643965 1175584848 /nfs/dbraw/zinc/58/48/48/1175584848.db2.gz XNGOBUGCIIBAJS-MRVPVSSYSA-N -1 1 284.279 1.346 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1cccnc1 ZINC001603643965 1175584853 /nfs/dbraw/zinc/58/48/53/1175584853.db2.gz XNGOBUGCIIBAJS-MRVPVSSYSA-N -1 1 284.279 1.346 20 0 CDADMM CC(C)CN(C)CN1Cc2ccc(C(=O)[O-])cc2C1=O ZINC001603803190 1175635499 /nfs/dbraw/zinc/63/54/99/1175635499.db2.gz REDYGESKJXBFHR-UHFFFAOYSA-N -1 1 276.336 1.886 20 0 CDADMM C[C@H]1C[C@H](NC(=O)c2csc(-c3nn[n-]n3)c2)CS1 ZINC001603856875 1175655843 /nfs/dbraw/zinc/65/58/43/1175655843.db2.gz PPUUBYIFZTVJGO-XPUUQOCRSA-N -1 1 295.393 1.552 20 0 CDADMM C[C@@H]1CC[C@H](OC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001603881340 1175668065 /nfs/dbraw/zinc/66/80/65/1175668065.db2.gz LFRPTEVYBASTQB-BDAKNGLRSA-N -1 1 273.296 1.607 20 0 CDADMM C[C@@H]1CC[C@H](OC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001603881340 1175668068 /nfs/dbraw/zinc/66/80/68/1175668068.db2.gz LFRPTEVYBASTQB-BDAKNGLRSA-N -1 1 273.296 1.607 20 0 CDADMM C[C@H]1CC[C@@H](NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001603882113 1175668710 /nfs/dbraw/zinc/66/87/10/1175668710.db2.gz WJVNQEFZXDHDAF-GXSJLCMTSA-N -1 1 286.339 1.109 20 0 CDADMM C[C@H]1CC[C@@H](NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001603882113 1175668713 /nfs/dbraw/zinc/66/87/13/1175668713.db2.gz WJVNQEFZXDHDAF-GXSJLCMTSA-N -1 1 286.339 1.109 20 0 CDADMM CC[C@H](C)[C@@H](C)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001603996000 1175710573 /nfs/dbraw/zinc/71/05/73/1175710573.db2.gz BMKPLIZODDBHMK-NKWVEPMBSA-N -1 1 263.305 1.211 20 0 CDADMM CC[C@H](C)[C@@H](C)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001603996000 1175710578 /nfs/dbraw/zinc/71/05/78/1175710578.db2.gz BMKPLIZODDBHMK-NKWVEPMBSA-N -1 1 263.305 1.211 20 0 CDADMM CC[C@@H](C)N(CC)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001604008695 1175720215 /nfs/dbraw/zinc/72/02/15/1175720215.db2.gz ZFQURQRHKGGTMR-MRVPVSSYSA-N -1 1 292.347 1.253 20 0 CDADMM CC[C@@H](C)N(CC)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001604008695 1175720221 /nfs/dbraw/zinc/72/02/21/1175720221.db2.gz ZFQURQRHKGGTMR-MRVPVSSYSA-N -1 1 292.347 1.253 20 0 CDADMM CC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCOC1 ZINC001604064380 1175743211 /nfs/dbraw/zinc/74/32/11/1175743211.db2.gz RNJXJYBSYNCFSI-VHSXEESVSA-N -1 1 289.343 1.274 20 0 CDADMM CC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCOC1 ZINC001604064380 1175743214 /nfs/dbraw/zinc/74/32/14/1175743214.db2.gz RNJXJYBSYNCFSI-VHSXEESVSA-N -1 1 289.343 1.274 20 0 CDADMM CC[C@@H]1CN(c2ccnc(-c3nnn[n-]3)c2)CCCO1 ZINC001604112168 1175769254 /nfs/dbraw/zinc/76/92/54/1175769254.db2.gz RRQRYXVSZSACHI-LLVKDONJSA-N -1 1 274.328 1.267 20 0 CDADMM CC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)c2)CCCO1 ZINC001604112168 1175769262 /nfs/dbraw/zinc/76/92/62/1175769262.db2.gz RRQRYXVSZSACHI-LLVKDONJSA-N -1 1 274.328 1.267 20 0 CDADMM C[C@H]1OCC[C@H]1CNC(=O)c1ccc([O-])cc1F ZINC000235617795 1178239466 /nfs/dbraw/zinc/23/94/66/1178239466.db2.gz GBSQWGDQUAQDNS-BDAKNGLRSA-N -1 1 253.273 1.686 20 0 CDADMM O=C(NCCc1cscn1)c1ccc([O-])cc1F ZINC000163350737 1180448395 /nfs/dbraw/zinc/44/83/95/1180448395.db2.gz RKYOOPUPVXPXCD-UHFFFAOYSA-N -1 1 266.297 1.960 20 0 CDADMM CC(C)(C)N1C[C@H](NC(=O)c2ccc([O-])cc2F)CC1=O ZINC000164404875 1180683725 /nfs/dbraw/zinc/68/37/25/1180683725.db2.gz KEHLHEWFEOPHJK-SECBINFHSA-N -1 1 294.326 1.661 20 0 CDADMM NC(=O)C[C@H]1CCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000164412852 1180686708 /nfs/dbraw/zinc/68/67/08/1180686708.db2.gz BTPPSFZAFCVBNM-SECBINFHSA-N -1 1 280.299 1.259 20 0 CDADMM CC/C=C\CCN1CC(NC(=O)c2ncccc2[O-])C1 ZINC001753375436 1185174828 /nfs/dbraw/zinc/17/48/28/1185174828.db2.gz JXEPNGCEVBFUPA-ARJAWSKDSA-N -1 1 275.352 1.558 20 0 CDADMM O=C(N[C@H]1CCCCNC1=O)c1cc(Cl)ccc1[O-] ZINC000391637022 1187276945 /nfs/dbraw/zinc/27/69/45/1187276945.db2.gz ORKUJYLMAFYJEV-JTQLQIEISA-N -1 1 282.727 1.444 20 0 CDADMM CN1C[C@@H](NC(=O)c2ccc(/C=C/C(=O)[O-])o2)C(C)(C)C1 ZINC001606202221 1163804636 /nfs/dbraw/zinc/80/46/36/1163804636.db2.gz GDHDDNGUAQGFMF-HOSRBBHYSA-N -1 1 292.335 1.447 20 0 CDADMM O=C(NC/C=C\Cl)c1csc(-c2nn[n-]n2)c1 ZINC001606754120 1163984111 /nfs/dbraw/zinc/98/41/11/1163984111.db2.gz UBSGDKGUBVAQLW-UPHRSURJSA-N -1 1 269.717 1.411 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)C(F)(F)C(F)F ZINC001606953454 1164035860 /nfs/dbraw/zinc/03/58/60/1164035860.db2.gz RUZDEZUVODDHGG-UHFFFAOYSA-N -1 1 296.209 1.162 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)C(F)(F)C(F)F ZINC001606953454 1164035868 /nfs/dbraw/zinc/03/58/68/1164035868.db2.gz RUZDEZUVODDHGG-UHFFFAOYSA-N -1 1 296.209 1.162 20 0 CDADMM COCc1cnc(CN[C@@H]2CC=C(C(=O)[O-])C2)s1 ZINC001606971357 1164044305 /nfs/dbraw/zinc/04/43/05/1164044305.db2.gz IBQYATXWQFRGLG-SECBINFHSA-N -1 1 268.338 1.553 20 0 CDADMM Cc1cc(C[C@H](C)NC(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)n[nH]1 ZINC001607639177 1164248197 /nfs/dbraw/zinc/24/81/97/1164248197.db2.gz XRPSGOHSJKZSEF-XRNSZHNASA-N -1 1 294.355 1.154 20 0 CDADMM Cc1nc([C@H](C)NC(=O)Nc2cccc(C(=O)[O-])n2)n[nH]1 ZINC001608013718 1164375657 /nfs/dbraw/zinc/37/56/57/1164375657.db2.gz UHRVVQLAXIZJFJ-LURJTMIESA-N -1 1 290.283 1.089 20 0 CDADMM Cn1cc(CN2C[C@@H]3C[C@H]2CS3)cc1C(=O)[O-] ZINC001608111754 1164411823 /nfs/dbraw/zinc/41/18/23/1164411823.db2.gz MPNXLWSOKQRFKL-UWVGGRQHSA-N -1 1 252.339 1.413 20 0 CDADMM Cn1cc(CNCc2cccc(C(N)=O)c2)cc1C(=O)[O-] ZINC001608113336 1164412713 /nfs/dbraw/zinc/41/27/13/1164412713.db2.gz FMPTXTQZUMCDLR-UHFFFAOYSA-N -1 1 287.319 1.112 20 0 CDADMM O=C([O-])[C@H](CC(F)(F)F)NCc1ccc(Cl)nn1 ZINC001608529567 1164533943 /nfs/dbraw/zinc/53/39/43/1164533943.db2.gz BBZDQSNMQYNSPN-LURJTMIESA-N -1 1 283.637 1.625 20 0 CDADMM O=C([O-])CCN1CC[C@@H](N2Cc3ccccc3C2)C1=O ZINC001608723369 1164622162 /nfs/dbraw/zinc/62/21/62/1164622162.db2.gz NDWHPALINOPMHV-CYBMUJFWSA-N -1 1 274.320 1.078 20 0 CDADMM O=C([O-])c1ccc(CN2CC[C@@H](O)[C@@H](CO)C2)cc1Cl ZINC001608881629 1164672876 /nfs/dbraw/zinc/67/28/76/1164672876.db2.gz IQSTVWSMLIQTQQ-ZWNOBZJWSA-N -1 1 299.754 1.213 20 0 CDADMM O=C([O-])c1cnoc1CN1CC[C@@H](Cc2nccs2)C1 ZINC001608984644 1164707121 /nfs/dbraw/zinc/70/71/21/1164707121.db2.gz LYTOJHCNPRWJMS-VIFPVBQESA-N -1 1 293.348 1.894 20 0 CDADMM O=C([O-])[C@H](OC(=O)[C@@H]1CCCc2[nH]ncc21)C1CC1 ZINC001609010255 1164722172 /nfs/dbraw/zinc/72/21/72/1164722172.db2.gz HGXYKHBPPWSIST-LDYMZIIASA-N -1 1 264.281 1.236 20 0 CDADMM CC(C)(CF)NCc1nc(-c2nn[n-]n2)cs1 ZINC001609083926 1164760177 /nfs/dbraw/zinc/76/01/77/1164760177.db2.gz VZOWXZCOWRIFHL-UHFFFAOYSA-N -1 1 256.310 1.161 20 0 CDADMM CC(C)C[C@@H](C)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609092882 1164767246 /nfs/dbraw/zinc/76/72/46/1164767246.db2.gz GCKWLGAORKQFIH-SECBINFHSA-N -1 1 274.328 1.426 20 0 CDADMM CC(C)C[C@@H](C)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609092882 1164767248 /nfs/dbraw/zinc/76/72/48/1164767248.db2.gz GCKWLGAORKQFIH-SECBINFHSA-N -1 1 274.328 1.426 20 0 CDADMM C[C@H]1COCC[C@@H]1Nc1cccnc1-c1nnn[n-]1 ZINC001609177417 1164820705 /nfs/dbraw/zinc/82/07/05/1164820705.db2.gz VUYXYVAFZXCXOK-IUCAKERBSA-N -1 1 260.301 1.099 20 0 CDADMM C[C@H]1COCC[C@@H]1Nc1cccnc1-c1nn[n-]n1 ZINC001609177417 1164820714 /nfs/dbraw/zinc/82/07/14/1164820714.db2.gz VUYXYVAFZXCXOK-IUCAKERBSA-N -1 1 260.301 1.099 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NOC1CCCC1 ZINC001609468171 1164963412 /nfs/dbraw/zinc/96/34/12/1164963412.db2.gz ISSITHVDPLQKGS-UHFFFAOYSA-N -1 1 277.284 1.372 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NOC1CCCC1 ZINC001609468171 1164963419 /nfs/dbraw/zinc/96/34/19/1164963419.db2.gz ISSITHVDPLQKGS-UHFFFAOYSA-N -1 1 277.284 1.372 20 0 CDADMM CC(C)(NC[C@@H]1CCNC(=O)CC1)c1nocc1C(=O)[O-] ZINC001609680443 1165037514 /nfs/dbraw/zinc/03/75/14/1165037514.db2.gz OKNUDUTYFBPARN-VIFPVBQESA-N -1 1 295.339 1.114 20 0 CDADMM CC[C@@](C)(C[N-]S(=O)(=O)c1ccns1)OC ZINC000885216766 790296199 /nfs/dbraw/zinc/29/61/99/790296199.db2.gz WNIGJOHJVOTHAY-VIFPVBQESA-N -1 1 264.372 1.237 20 0 CDADMM CC(C)c1nc(CN(C)C(C)(C)CC(=O)[O-])n[nH]1 ZINC001609721303 1165055794 /nfs/dbraw/zinc/05/57/94/1165055794.db2.gz FBZCLNKDAYQRPX-UHFFFAOYSA-N -1 1 254.334 1.613 20 0 CDADMM CCC[C@H](C)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001609954741 1165162149 /nfs/dbraw/zinc/16/21/49/1165162149.db2.gz REGHUDNCCFNNAB-NWDGAFQWSA-N -1 1 270.373 1.430 20 0 CDADMM CN(Cc1ccccc1C(=O)[O-])[C@H]1CCCCNC1=O ZINC001610123900 1165223970 /nfs/dbraw/zinc/22/39/70/1165223970.db2.gz DXJZCJQBFSHXPB-ZDUSSCGKSA-N -1 1 276.336 1.485 20 0 CDADMM COC(=O)[C@@H](CC(C)C)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001610150776 1165237521 /nfs/dbraw/zinc/23/75/21/1165237521.db2.gz JYGGQDRNZSSSGA-NWDGAFQWSA-N -1 1 283.368 1.761 20 0 CDADMM COC(=O)N1CC(N[C@H](C)c2cc(C(=O)[O-])cs2)C1 ZINC001610186286 1165248691 /nfs/dbraw/zinc/24/86/91/1165248691.db2.gz DVUZEOHNMFVCJR-SSDOTTSWSA-N -1 1 284.337 1.548 20 0 CDADMM COC[C@H](NCc1cc(C(=O)[O-])ccc1F)[C@H]1CCCO1 ZINC001610250334 1165273221 /nfs/dbraw/zinc/27/32/21/1165273221.db2.gz ILLIETNKKSVQSL-UONOGXRCSA-N -1 1 297.326 1.808 20 0 CDADMM Cc1n[nH]cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001610447747 1165318519 /nfs/dbraw/zinc/31/85/19/1165318519.db2.gz XDWOQRNAIOCDGN-UHFFFAOYSA-N -1 1 295.320 1.526 20 0 CDADMM Cc1cncc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c1 ZINC001610540304 1165347549 /nfs/dbraw/zinc/34/75/49/1165347549.db2.gz KBCBEIHURFSQRI-GFCCVEGCSA-N -1 1 291.351 1.011 20 0 CDADMM CC(C)(C)CC(=O)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001034861107 790828226 /nfs/dbraw/zinc/82/82/26/790828226.db2.gz 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272.352 1.618 20 0 CDADMM O=C([N-]C1CCN(CC(F)F)CC1)C(F)(F)C(F)F ZINC000749362906 576944779 /nfs/dbraw/zinc/94/47/79/576944779.db2.gz FFHQJUSEBIGNLX-UHFFFAOYSA-N -1 1 292.223 1.733 20 0 CDADMM CC(C)(C)OC(=O)CCCNC(=O)c1cncc([O-])c1 ZINC000339905661 518785336 /nfs/dbraw/zinc/78/53/36/518785336.db2.gz ORCCDPAWZDHJBY-UHFFFAOYSA-N -1 1 280.324 1.639 20 0 CDADMM CC(C)CN(CC(=O)[O-])C(=O)c1cccc2c[nH]nc21 ZINC000236686159 519711499 /nfs/dbraw/zinc/71/14/99/519711499.db2.gz MLDGYFBDWYWGTF-UHFFFAOYSA-N -1 1 275.308 1.746 20 0 CDADMM CC(=O)Nc1ccc([O-])c(C(=O)N(C)c2cnn(C)c2)c1 ZINC000339175523 519727930 /nfs/dbraw/zinc/72/79/30/519727930.db2.gz SMGPRWVQKMVEKD-UHFFFAOYSA-N -1 1 288.307 1.361 20 0 CDADMM CC(C)n1c(CNC(=O)c2ccc[nH]2)n[n-]c1=S ZINC000067072357 519920869 /nfs/dbraw/zinc/92/08/69/519920869.db2.gz LECGZOQIKDEWPS-UHFFFAOYSA-N -1 1 265.342 1.780 20 0 CDADMM CC[C@@H](C)[C@@](C)(O)CNC(=O)c1cncc([O-])c1 ZINC000339895765 522340688 /nfs/dbraw/zinc/34/06/88/522340688.db2.gz 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/nfs/dbraw/zinc/03/50/75/599035075.db2.gz TUABFMRXECQCRS-RYUDHWBXSA-N -1 1 293.334 1.700 20 0 CDADMM CS[C@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC000095192794 599070847 /nfs/dbraw/zinc/07/08/47/599070847.db2.gz DVGDHVOKTTVGPM-SFYZADRCSA-N -1 1 277.357 1.353 20 0 CDADMM CS[C@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC000095192794 599070850 /nfs/dbraw/zinc/07/08/50/599070850.db2.gz DVGDHVOKTTVGPM-SFYZADRCSA-N -1 1 277.357 1.353 20 0 CDADMM O=C([O-])c1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)nc1 ZINC001602339243 1175214293 /nfs/dbraw/zinc/21/42/93/1175214293.db2.gz VCOFZYQSBAWWEQ-UVARLRKDSA-N -1 1 294.376 1.265 20 0 CDADMM O=C([O-])c1ccc(CN2CCC[C@H]2C(=O)NC2CC2)cc1 ZINC000821544799 597349199 /nfs/dbraw/zinc/34/91/99/597349199.db2.gz LLCXVQDMAKZSAI-AWEZNQCLSA-N -1 1 288.347 1.628 20 0 CDADMM Cc1nn(C)c2nc(Cl)c(CN(C)[C@H](C)C(=O)[O-])cc12 ZINC000819029734 597472408 /nfs/dbraw/zinc/47/24/08/597472408.db2.gz IDRBEMGYMMGHIR-MRVPVSSYSA-N -1 1 296.758 1.835 20 0 CDADMM 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O[C@H](CNc1nccnc1-c1nnn[n-]1)C1CCCCC1 ZINC000095251715 598520934 /nfs/dbraw/zinc/52/09/34/598520934.db2.gz VAIMVSSTAFCFHU-SNVBAGLBSA-N -1 1 289.343 1.010 20 0 CDADMM O[C@H](CNc1nccnc1-c1nn[n-]n1)C1CCCCC1 ZINC000095251715 598520935 /nfs/dbraw/zinc/52/09/35/598520935.db2.gz VAIMVSSTAFCFHU-SNVBAGLBSA-N -1 1 289.343 1.010 20 0 CDADMM CC[C@H](C)[C@H](NC(=O)CN1C[C@@H](C)CC[C@H]1C)C(=O)[O-] ZINC000828709388 600862388 /nfs/dbraw/zinc/86/23/88/600862388.db2.gz RIXIPBRFVUQYLI-FMSGJZPZSA-N -1 1 284.400 1.722 20 0 CDADMM CC1CCC(NC(=O)CN[C@@](C)(C(=O)[O-])C2CC2)CC1 ZINC000828226771 601038622 /nfs/dbraw/zinc/03/86/22/601038622.db2.gz YBBYXONLIQIKRY-MBRGGSNBSA-N -1 1 282.384 1.524 20 0 CDADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)CC(C)(C)O1 ZINC000095255855 599417811 /nfs/dbraw/zinc/41/78/11/599417811.db2.gz VPCDSZLOKBHDTH-SECBINFHSA-N -1 1 274.328 1.265 20 0 CDADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)CC(C)(C)O1 ZINC000095255855 599417814 /nfs/dbraw/zinc/41/78/14/599417814.db2.gz VPCDSZLOKBHDTH-SECBINFHSA-N 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C[C@@H]1CCCC[C@H]1NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C ZINC000828252139 601602440 /nfs/dbraw/zinc/60/24/40/601602440.db2.gz PUTKDSHRZPYOJI-WZRBSPASSA-N -1 1 284.400 1.770 20 0 CDADMM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccccc1F)N(C)C ZINC000832803099 601736395 /nfs/dbraw/zinc/73/63/95/601736395.db2.gz FJMGPMXMYUEKFN-KWQFWETISA-N -1 1 268.288 1.018 20 0 CDADMM Cc1cnc(CN2CCC(CCC(=O)[O-])CC2)cn1 ZINC000693782621 601843001 /nfs/dbraw/zinc/84/30/01/601843001.db2.gz OOJVZRCAQRKXQT-UHFFFAOYSA-N -1 1 263.341 1.862 20 0 CDADMM Cc1nc(CSCc2ccnc(-c3nnn[n-]3)c2)no1 ZINC000826326527 607534390 /nfs/dbraw/zinc/53/43/90/607534390.db2.gz UAMAHMGSQRLOPG-UHFFFAOYSA-N -1 1 289.324 1.387 20 0 CDADMM Cc1nc(CSCc2ccnc(-c3nn[n-]n3)c2)no1 ZINC000826326527 607534392 /nfs/dbraw/zinc/53/43/92/607534392.db2.gz UAMAHMGSQRLOPG-UHFFFAOYSA-N -1 1 289.324 1.387 20 0 CDADMM CCc1nnc([C@H](C)N2CC[C@@](C)(C(=O)[O-])C2)o1 ZINC000830335027 601943178 /nfs/dbraw/zinc/94/31/78/601943178.db2.gz IERYDMFJPFZFRL-QPUJVOFHSA-N -1 1 253.302 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ZINC000095342206 606429631 /nfs/dbraw/zinc/42/96/31/606429631.db2.gz DJIYVSQBAFUWAC-UHFFFAOYSA-N -1 1 254.253 1.757 20 0 CDADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)[C@@H](C)CO1 ZINC000820778944 606449725 /nfs/dbraw/zinc/44/97/25/606449725.db2.gz ZFBSBKQQNCSEGA-JGVFFNPUSA-N -1 1 294.746 1.529 20 0 CDADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)[C@@H](C)CO1 ZINC000820778944 606449726 /nfs/dbraw/zinc/44/97/26/606449726.db2.gz ZFBSBKQQNCSEGA-JGVFFNPUSA-N -1 1 294.746 1.529 20 0 CDADMM CC(C)[C@@H](O)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820027319 606467974 /nfs/dbraw/zinc/46/79/74/606467974.db2.gz QLLMHOVOCYEFHT-QMMMGPOBSA-N -1 1 282.735 1.344 20 0 CDADMM CC(C)[C@@H](O)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820027319 606467975 /nfs/dbraw/zinc/46/79/75/606467975.db2.gz QLLMHOVOCYEFHT-QMMMGPOBSA-N -1 1 282.735 1.344 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCCC1 ZINC000823483612 606518075 /nfs/dbraw/zinc/51/80/75/606518075.db2.gz KCDWNOVKVUQLOW-UHFFFAOYSA-N -1 1 263.326 1.554 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCCC1 ZINC000823483612 606518077 /nfs/dbraw/zinc/51/80/77/606518077.db2.gz KCDWNOVKVUQLOW-UHFFFAOYSA-N -1 1 263.326 1.554 20 0 CDADMM Cc1cc(C)cc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1 ZINC000822196316 606530916 /nfs/dbraw/zinc/53/09/16/606530916.db2.gz DUPWQUHDHSSVSN-UHFFFAOYSA-N -1 1 283.295 1.459 20 0 CDADMM Cc1cc(C)cc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1 ZINC000822196316 606530918 /nfs/dbraw/zinc/53/09/18/606530918.db2.gz DUPWQUHDHSSVSN-UHFFFAOYSA-N -1 1 283.295 1.459 20 0 CDADMM CCOc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000821417045 606530940 /nfs/dbraw/zinc/53/09/40/606530940.db2.gz HLPUBANSJNNHAX-UHFFFAOYSA-N -1 1 299.294 1.241 20 0 CDADMM CCOc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC000821417045 606530942 /nfs/dbraw/zinc/53/09/42/606530942.db2.gz HLPUBANSJNNHAX-UHFFFAOYSA-N -1 1 299.294 1.241 20 0 CDADMM Cc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1C ZINC000822226579 606531021 /nfs/dbraw/zinc/53/10/21/606531021.db2.gz YXKRYUBVBXAIPA-UHFFFAOYSA-N -1 1 283.295 1.459 20 0 CDADMM Cc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1C ZINC000822226579 606531022 /nfs/dbraw/zinc/53/10/22/606531022.db2.gz YXKRYUBVBXAIPA-UHFFFAOYSA-N -1 1 283.295 1.459 20 0 CDADMM C=C/C=C/CCOc1ccc(F)nc1-c1nn[n-]n1 ZINC001602807066 1175409644 /nfs/dbraw/zinc/40/96/44/1175409644.db2.gz GDHFJMJHMJYHBX-ONEGZZNKSA-N -1 1 261.260 1.912 20 0 CDADMM CC1(OC(=O)c2ccc(-c3nnn[n-]3)nc2)CCC1 ZINC000820629189 606895368 /nfs/dbraw/zinc/89/53/68/606895368.db2.gz UYNCRJVZZCQQBC-UHFFFAOYSA-N -1 1 259.269 1.361 20 0 CDADMM CC1(OC(=O)c2ccc(-c3nn[n-]n3)nc2)CCC1 ZINC000820629189 606895369 /nfs/dbraw/zinc/89/53/69/606895369.db2.gz UYNCRJVZZCQQBC-UHFFFAOYSA-N -1 1 259.269 1.361 20 0 CDADMM CN(C(=O)COc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC000825820349 607863429 /nfs/dbraw/zinc/86/34/29/607863429.db2.gz AWKPVHVNAPMMHA-UHFFFAOYSA-N -1 1 291.286 1.005 20 0 CDADMM CN(C(=O)COc1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC000825820349 607863430 /nfs/dbraw/zinc/86/34/30/607863430.db2.gz AWKPVHVNAPMMHA-UHFFFAOYSA-N -1 1 291.286 1.005 20 0 CDADMM C[C@H](C[C@@H]1CCOC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC000824400338 607901996 /nfs/dbraw/zinc/90/19/96/607901996.db2.gz FNKYCFUPMJWNNC-ZJUUUORDSA-N -1 1 274.328 1.489 20 0 CDADMM C[C@H](C[C@@H]1CCOC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC000824400338 607901997 /nfs/dbraw/zinc/90/19/97/607901997.db2.gz FNKYCFUPMJWNNC-ZJUUUORDSA-N -1 1 274.328 1.489 20 0 CDADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1cn[nH]c1 ZINC000824662298 607935465 /nfs/dbraw/zinc/93/54/65/607935465.db2.gz HWEIMOGRECTBGT-ZETCQYMHSA-N -1 1 256.273 1.158 20 0 CDADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1cn[nH]c1 ZINC000824662298 607935466 /nfs/dbraw/zinc/93/54/66/607935466.db2.gz HWEIMOGRECTBGT-ZETCQYMHSA-N -1 1 256.273 1.158 20 0 CDADMM c1ccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826520227 607989008 /nfs/dbraw/zinc/98/90/08/607989008.db2.gz CXSVCPLBUGRBKT-ZDUSSCGKSA-N -1 1 293.334 1.998 20 0 CDADMM c1ccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826520227 607989009 /nfs/dbraw/zinc/98/90/09/607989009.db2.gz CXSVCPLBUGRBKT-ZDUSSCGKSA-N -1 1 293.334 1.998 20 0 CDADMM CC(C)(C)n1cc(Nc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC000824152902 607989524 /nfs/dbraw/zinc/98/95/24/607989524.db2.gz SFOMRBBTLWWHSN-UHFFFAOYSA-N -1 1 285.315 1.352 20 0 CDADMM CC(C)(C)n1cc(Nc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC000824152902 607989525 /nfs/dbraw/zinc/98/95/25/607989525.db2.gz SFOMRBBTLWWHSN-UHFFFAOYSA-N -1 1 285.315 1.352 20 0 CDADMM C[C@@H]1OCC[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000825021105 608147979 /nfs/dbraw/zinc/14/79/79/608147979.db2.gz OXVOLKRHSMUVGL-CRCLSJGQSA-N -1 1 286.748 1.566 20 0 CDADMM C[C@@H]1OCC[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000825021105 608147980 /nfs/dbraw/zinc/14/79/80/608147980.db2.gz OXVOLKRHSMUVGL-CRCLSJGQSA-N -1 1 286.748 1.566 20 0 CDADMM C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)C(C)(C)O ZINC000824669728 608179766 /nfs/dbraw/zinc/17/97/66/608179766.db2.gz HEKQIZFVMVQTHP-BYPYZUCNSA-N -1 1 288.764 1.548 20 0 CDADMM C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)C(C)(C)O ZINC000824669728 608179767 /nfs/dbraw/zinc/17/97/67/608179767.db2.gz HEKQIZFVMVQTHP-BYPYZUCNSA-N -1 1 288.764 1.548 20 0 CDADMM CC(C)[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000824215293 608228010 /nfs/dbraw/zinc/22/80/10/608228010.db2.gz KAOBDODJIHFLFV-NSHDSACASA-N -1 1 273.344 1.672 20 0 CDADMM CC(C)[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000824215293 608228011 /nfs/dbraw/zinc/22/80/11/608228011.db2.gz KAOBDODJIHFLFV-NSHDSACASA-N -1 1 273.344 1.672 20 0 CDADMM CS[C@H](C)CCC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000826225871 608342492 /nfs/dbraw/zinc/34/24/92/608342492.db2.gz MQPGBHWPWMKYQO-SSDOTTSWSA-N -1 1 295.372 1.070 20 0 CDADMM CS[C@H](C)CCC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000826225871 608342494 /nfs/dbraw/zinc/34/24/94/608342494.db2.gz MQPGBHWPWMKYQO-SSDOTTSWSA-N -1 1 295.372 1.070 20 0 CDADMM CC(C)n1ccnc1Sc1ccc(-c2nnn[n-]2)nn1 ZINC000824377933 608392641 /nfs/dbraw/zinc/39/26/41/608392641.db2.gz TXFKJJHNPJRXGZ-UHFFFAOYSA-N -1 1 288.340 1.585 20 0 CDADMM CC(C)n1ccnc1Sc1ccc(-c2nn[n-]n2)nn1 ZINC000824377933 608392643 /nfs/dbraw/zinc/39/26/43/608392643.db2.gz TXFKJJHNPJRXGZ-UHFFFAOYSA-N -1 1 288.340 1.585 20 0 CDADMM CCOC(=O)[C@H](CC)Sc1ccc(-c2nnn[n-]2)nn1 ZINC000825486697 608428069 /nfs/dbraw/zinc/42/80/69/608428069.db2.gz WGFJMCJSFCFENT-QMMMGPOBSA-N -1 1 294.340 1.091 20 0 CDADMM CCOC(=O)[C@H](CC)Sc1ccc(-c2nn[n-]n2)nn1 ZINC000825486697 608428071 /nfs/dbraw/zinc/42/80/71/608428071.db2.gz WGFJMCJSFCFENT-QMMMGPOBSA-N -1 1 294.340 1.091 20 0 CDADMM FC(F)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826369823 608434710 /nfs/dbraw/zinc/43/47/10/608434710.db2.gz SAMCUWBHSWJYMB-UHFFFAOYSA-N -1 1 281.270 1.138 20 0 CDADMM FC(F)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826369823 608434711 /nfs/dbraw/zinc/43/47/11/608434711.db2.gz SAMCUWBHSWJYMB-UHFFFAOYSA-N -1 1 281.270 1.138 20 0 CDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CCC(C)(C)C2)n1 ZINC000826357100 609393196 /nfs/dbraw/zinc/39/31/96/609393196.db2.gz QYQZZNJQZZRHRI-QMMMGPOBSA-N -1 1 289.343 1.365 20 0 CDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2CCC(C)(C)C2)n1 ZINC000826357100 609393193 /nfs/dbraw/zinc/39/31/93/609393193.db2.gz QYQZZNJQZZRHRI-QMMMGPOBSA-N -1 1 289.343 1.365 20 0 CDADMM C[C@@H](O)[C@@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000824690214 609569496 /nfs/dbraw/zinc/56/94/96/609569496.db2.gz QXNABOZDQNKCFT-HTQZYQBOSA-N -1 1 294.746 1.122 20 0 CDADMM C[C@@H](O)[C@@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000824690214 609569499 /nfs/dbraw/zinc/56/94/99/609569499.db2.gz QXNABOZDQNKCFT-HTQZYQBOSA-N -1 1 294.746 1.122 20 0 CDADMM CN(C[C@H]1CC=CCC1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825909458 609594876 /nfs/dbraw/zinc/59/48/76/609594876.db2.gz YPZNGRKQTVLGBD-JTQLQIEISA-N -1 1 271.328 1.449 20 0 CDADMM CN(C[C@H]1CC=CCC1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825909458 609594879 /nfs/dbraw/zinc/59/48/79/609594879.db2.gz YPZNGRKQTVLGBD-JTQLQIEISA-N -1 1 271.328 1.449 20 0 CDADMM O=c1nc(NC[C@@H](CO)CC2CC2)cc(Cl)[n-]1 ZINC000858629782 617201747 /nfs/dbraw/zinc/20/17/47/617201747.db2.gz YXOGZXZIOCBQMP-QMMMGPOBSA-N -1 1 257.721 1.656 20 0 CDADMM CC(C)OC(=O)C[N-]S(=O)(=O)Cc1ccccc1F ZINC000104103295 617322017 /nfs/dbraw/zinc/32/20/17/617322017.db2.gz PCAPLQQMEPCIFX-UHFFFAOYSA-N -1 1 289.328 1.197 20 0 CDADMM Cc1nnc([C@H](C)NC(=O)c2c([O-])cccc2Cl)[nH]1 ZINC000804812156 617335302 /nfs/dbraw/zinc/33/53/02/617335302.db2.gz JWVYNOURCUXAAP-LURJTMIESA-N -1 1 280.715 1.963 20 0 CDADMM CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC000983396190 613452035 /nfs/dbraw/zinc/45/20/35/613452035.db2.gz ZONMXIGCRNDQAH-PWSUYJOCSA-N -1 1 291.351 1.164 20 0 CDADMM CC(C)N1CCN([C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000036190357 617353430 /nfs/dbraw/zinc/35/34/30/617353430.db2.gz PNNAPZKCVFLLEG-CQSZACIVSA-N -1 1 262.353 1.838 20 0 CDADMM O=C(C=C[C@@H]1CCOC1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891615864 617505425 /nfs/dbraw/zinc/50/54/25/617505425.db2.gz VYAVNWUQJHCDKP-BRAIEQGRSA-N -1 1 289.335 1.592 20 0 CDADMM COC1(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CCC1 ZINC000891616883 617506135 /nfs/dbraw/zinc/50/61/35/617506135.db2.gz BIFAKQWAVNKRLC-UHFFFAOYSA-N -1 1 277.324 1.569 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccsn1 ZINC000891615786 617507103 /nfs/dbraw/zinc/50/71/03/617507103.db2.gz UOJXJVCKNMKRKP-UHFFFAOYSA-N -1 1 276.321 1.770 20 0 CDADMM COCc1nc(NC[C@H](O)c2ccc(F)cc2)cc(=O)[n-]1 ZINC000891772220 617578548 /nfs/dbraw/zinc/57/85/48/617578548.db2.gz YXVBWZOOPADZLB-NSHDSACASA-N -1 1 293.298 1.613 20 0 CDADMM CN(C(=O)c1ccc(CCC(F)(F)F)cc1)c1nn[n-]n1 ZINC000892955196 617972551 /nfs/dbraw/zinc/97/25/51/617972551.db2.gz YLWDKQWECAEIDQ-UHFFFAOYSA-N -1 1 299.256 1.971 20 0 CDADMM Cc1cc(OCC(=O)N(C)c2nn[n-]n2)cc(C)c1Cl ZINC000892955112 617978487 /nfs/dbraw/zinc/97/84/87/617978487.db2.gz WNPINXIDPMUIGN-UHFFFAOYSA-N -1 1 295.730 1.512 20 0 CDADMM COCc1nc(N(C)Cc2ccc(O)cc2)cc(=O)[n-]1 ZINC000893024482 618070765 /nfs/dbraw/zinc/07/07/65/618070765.db2.gz XVXYDILLQGPFHS-UHFFFAOYSA-N -1 1 275.308 1.671 20 0 CDADMM O=C(N[C@H]1CC12CC(O)C2)c1c(F)ccc([O-])c1F ZINC000888954335 618074907 /nfs/dbraw/zinc/07/49/07/618074907.db2.gz ACJADJSHPVXDSP-UNWJSIQESA-N -1 1 269.247 1.314 20 0 CDADMM COCc1nc(NCC2(SC)CC2)cc(=O)[n-]1 ZINC000893559980 618122513 /nfs/dbraw/zinc/12/25/13/618122513.db2.gz SKGBMHRRDAEDQF-UHFFFAOYSA-N -1 1 255.343 1.636 20 0 CDADMM COCc1nc(N[C@H](CO)CC(C)C)cc(=O)[n-]1 ZINC000892415578 618170146 /nfs/dbraw/zinc/17/01/46/618170146.db2.gz KLZNIVFAOOWPQU-VIFPVBQESA-N -1 1 255.318 1.148 20 0 CDADMM COCc1nc(NCc2snnc2C)cc(=O)[n-]1 ZINC000893958141 618224152 /nfs/dbraw/zinc/22/41/52/618224152.db2.gz XURICLMVJDXRPA-UHFFFAOYSA-N -1 1 267.314 1.101 20 0 CDADMM COCc1nc(N(C)Cc2occc2C)cc(=O)[n-]1 ZINC000893959227 618224458 /nfs/dbraw/zinc/22/44/58/618224458.db2.gz IPHWNJZCIKZPHJ-UHFFFAOYSA-N -1 1 263.297 1.866 20 0 CDADMM COCc1nc(N[C@H]2CC23CCOCC3)cc(=O)[n-]1 ZINC000894081438 618339000 /nfs/dbraw/zinc/33/90/00/618339000.db2.gz XWBZRLJFZYERBF-VIFPVBQESA-N -1 1 265.313 1.310 20 0 CDADMM CCCc1ncc(CNc2cc(=O)[n-]c(COC)n2)o1 ZINC000894098908 618398767 /nfs/dbraw/zinc/39/87/67/618398767.db2.gz BXSNGKIVDKMHSF-UHFFFAOYSA-N -1 1 278.312 1.881 20 0 CDADMM COc1ccc([C@@H](C)CN2CCOC[C@H]2CC(=O)[O-])cc1 ZINC000902002696 618476331 /nfs/dbraw/zinc/47/63/31/618476331.db2.gz TXQCJZQPKGLAHE-GXTWGEPZSA-N -1 1 293.363 1.974 20 0 CDADMM CN1CCCC[C@H]1C(=O)NCC(C)(C)CC(=O)[O-] ZINC000910830529 618542474 /nfs/dbraw/zinc/54/24/74/618542474.db2.gz CHTWTKUKVNHPSY-JTQLQIEISA-N -1 1 256.346 1.088 20 0 CDADMM C[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc2cncn2c1 ZINC000902112560 618591524 /nfs/dbraw/zinc/59/15/24/618591524.db2.gz PYEXBBNDLDOIMY-CQSZACIVSA-N -1 1 273.292 1.414 20 0 CDADMM CC[C@@H](C)C(=O)OCC(=O)[N-]C(=O)c1ccc(OC)cc1 ZINC000023520466 618842696 /nfs/dbraw/zinc/84/26/96/618842696.db2.gz QCPMSQYVHIYMLU-SNVBAGLBSA-N -1 1 293.319 1.541 20 0 CDADMM COCc1nc(N2CCO[C@](C)(C3CC3)C2)cc(=O)[n-]1 ZINC000894490206 618916319 /nfs/dbraw/zinc/91/63/19/618916319.db2.gz MICMJCMNDQNOAK-AWEZNQCLSA-N -1 1 279.340 1.334 20 0 CDADMM CN1CCC[C@H]1C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000909425615 619249097 /nfs/dbraw/zinc/24/90/97/619249097.db2.gz 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/nfs/dbraw/zinc/17/22/75/1163172275.db2.gz DVMFKRRAOQUOHW-GHMZBOCLSA-N -1 1 298.408 1.333 20 0 CDADMM CCOc1ccc(CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001604460551 1163193041 /nfs/dbraw/zinc/19/30/41/1163193041.db2.gz YMBQROJZBPETHJ-UHFFFAOYSA-N -1 1 297.322 1.668 20 0 CDADMM CCOc1ccc(CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001604460551 1163193044 /nfs/dbraw/zinc/19/30/44/1163193044.db2.gz YMBQROJZBPETHJ-UHFFFAOYSA-N -1 1 297.322 1.668 20 0 CDADMM CCc1ccc(CNCc2nc(-c3nnn[n-]3)cs2)o1 ZINC001604524323 1163217816 /nfs/dbraw/zinc/21/78/16/1163217816.db2.gz CUBPLGJLWVMKSM-UHFFFAOYSA-N -1 1 290.352 1.768 20 0 CDADMM CCc1ccc(CNCc2nc(-c3nn[n-]n3)cs2)o1 ZINC001604524323 1163217822 /nfs/dbraw/zinc/21/78/22/1163217822.db2.gz CUBPLGJLWVMKSM-UHFFFAOYSA-N -1 1 290.352 1.768 20 0 CDADMM C[C@@H]1CN([C@H](C(=O)[O-])c2ccccc2)CC[S@](=O)C1 ZINC001604785949 1163322481 /nfs/dbraw/zinc/32/24/81/1163322481.db2.gz IWNVYNGANYYEFT-AGMRTUQYSA-N -1 1 281.377 1.513 20 0 CDADMM CC[C@@H](C(=O)[O-])C(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC001604874498 1163361894 /nfs/dbraw/zinc/36/18/94/1163361894.db2.gz YOXKLMKDKNZLQU-GHMZBOCLSA-N -1 1 288.307 1.121 20 0 CDADMM COC(=O)c1ccc(N2[C@@H](C)C[C@@H]2C)c(-c2nnn[n-]2)n1 ZINC001604973419 1163403531 /nfs/dbraw/zinc/40/35/31/1163403531.db2.gz PSOHXHVPUXHFTO-YUMQZZPRSA-N -1 1 288.311 1.035 20 0 CDADMM COC(=O)c1ccc(N2[C@@H](C)C[C@@H]2C)c(-c2nn[n-]n2)n1 ZINC001604973419 1163403534 /nfs/dbraw/zinc/40/35/34/1163403534.db2.gz PSOHXHVPUXHFTO-YUMQZZPRSA-N -1 1 288.311 1.035 20 0 CDADMM COC(C)(C)CC(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001604996323 1163408967 /nfs/dbraw/zinc/40/89/67/1163408967.db2.gz WVJFXBOBYQFIAY-UHFFFAOYSA-N -1 1 291.311 1.120 20 0 CDADMM COC(C)(C)CC(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001604996323 1163408991 /nfs/dbraw/zinc/40/89/91/1163408991.db2.gz WVJFXBOBYQFIAY-UHFFFAOYSA-N -1 1 291.311 1.120 20 0 CDADMM COc1cccc(NC(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001605321393 1163524204 /nfs/dbraw/zinc/52/42/04/1163524204.db2.gz CXVSFRQBWWVCHP-UHFFFAOYSA-N -1 1 286.251 1.116 20 0 CDADMM COc1cccc(NC(=O)c2coc(-c3nn[n-]n3)c2)n1 ZINC001605321393 1163524210 /nfs/dbraw/zinc/52/42/10/1163524210.db2.gz CXVSFRQBWWVCHP-UHFFFAOYSA-N -1 1 286.251 1.116 20 0 CDADMM CCOC[C@H]1CCN(Cc2cnc(C(=O)[O-])cn2)C1 ZINC001605626351 1163628872 /nfs/dbraw/zinc/62/88/72/1163628872.db2.gz TZWBUAPWHKIKPS-JTQLQIEISA-N -1 1 265.313 1.033 20 0 CDADMM Cc1cc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001605723727 1163651933 /nfs/dbraw/zinc/65/19/33/1163651933.db2.gz ULINNUMKQXTMJW-GMTAPVOTSA-N -1 1 270.340 1.593 20 0 CDADMM Cc1cc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001605723727 1163651935 /nfs/dbraw/zinc/65/19/35/1163651935.db2.gz ULINNUMKQXTMJW-GMTAPVOTSA-N -1 1 270.340 1.593 20 0 CDADMM Cc1cc(NCCC[C@@H](C)O)nc(-c2nnn[n-]2)c1 ZINC001605731781 1163653443 /nfs/dbraw/zinc/65/34/43/1163653443.db2.gz YEAXLWDOPOVUCN-SECBINFHSA-N -1 1 262.317 1.143 20 0 CDADMM Cc1cc(NCCC[C@@H](C)O)nc(-c2nn[n-]n2)c1 ZINC001605731781 1163653448 /nfs/dbraw/zinc/65/34/48/1163653448.db2.gz YEAXLWDOPOVUCN-SECBINFHSA-N -1 1 262.317 1.143 20 0 CDADMM Cc1cc(NC[C@](C)(O)C2CC2)cc(-c2nnn[n-]2)n1 ZINC001605727006 1163653461 /nfs/dbraw/zinc/65/34/61/1163653461.db2.gz ORUURBZCJGRIKE-ZDUSSCGKSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cc(NC[C@](C)(O)C2CC2)cc(-c2nn[n-]n2)n1 ZINC001605727006 1163653468 /nfs/dbraw/zinc/65/34/68/1163653468.db2.gz ORUURBZCJGRIKE-ZDUSSCGKSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cc(=O)[nH]c(C=Cc2nc(-c3nnn[n-]3)cs2)n1 ZINC001605745364 1163657613 /nfs/dbraw/zinc/65/76/13/1163657613.db2.gz WOJUOUPMEJFGOG-IHWYPQMZSA-N -1 1 287.308 1.298 20 0 CDADMM Cc1cc(=O)[nH]c(C=Cc2nc(-c3nn[n-]n3)cs2)n1 ZINC001605745364 1163657617 /nfs/dbraw/zinc/65/76/17/1163657617.db2.gz WOJUOUPMEJFGOG-IHWYPQMZSA-N -1 1 287.308 1.298 20 0 CDADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCO[C@H](CCF)C1 ZINC001605802681 1163674862 /nfs/dbraw/zinc/67/48/62/1163674862.db2.gz BKJYRCHLEKJTAN-SNVBAGLBSA-N -1 1 292.318 1.135 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCO[C@H](CCF)C1 ZINC001605802681 1163674865 /nfs/dbraw/zinc/67/48/65/1163674865.db2.gz BKJYRCHLEKJTAN-SNVBAGLBSA-N -1 1 292.318 1.135 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCSC[C@@H](C)C1 ZINC001605803019 1163676784 /nfs/dbraw/zinc/67/67/84/1163676784.db2.gz UVLZJVNFRLNAPF-VIFPVBQESA-N -1 1 290.396 1.759 20 0 CDADMM CCc1nc(CN2C[C@@H](C(=O)[O-])Oc3ccccc32)n[nH]1 ZINC001605851667 1163690577 /nfs/dbraw/zinc/69/05/77/1163690577.db2.gz JEWRGZZZOXZANJ-NSHDSACASA-N -1 1 288.307 1.219 20 0 CDADMM Cc1ccc(NCc2ccco2)nc1-c1nnn[n-]1 ZINC001605875600 1163701591 /nfs/dbraw/zinc/70/15/91/1163701591.db2.gz RPKWENDIDRTRMB-UHFFFAOYSA-N -1 1 256.269 1.775 20 0 CDADMM Cc1ccc(NCc2ccco2)nc1-c1nn[n-]n1 ZINC001605875600 1163701596 /nfs/dbraw/zinc/70/15/96/1163701596.db2.gz RPKWENDIDRTRMB-UHFFFAOYSA-N -1 1 256.269 1.775 20 0 CDADMM O=C([O-])C1CCN(C(=O)c2cc(F)cc3nn[nH]c32)CC1 ZINC001606008147 1163742250 /nfs/dbraw/zinc/74/22/50/1163742250.db2.gz MNGRWODPUSQSTH-UHFFFAOYSA-N -1 1 292.270 1.034 20 0 CDADMM Cc1ccncc1CN(C)c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001606020420 1163747939 /nfs/dbraw/zinc/74/79/39/1163747939.db2.gz XLPZYBGJVKTTFT-UHFFFAOYSA-N -1 1 296.338 1.305 20 0 CDADMM Cc1ccncc1CN(C)c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001606020420 1163747942 /nfs/dbraw/zinc/74/79/42/1163747942.db2.gz XLPZYBGJVKTTFT-UHFFFAOYSA-N -1 1 296.338 1.305 20 0 CDADMM FC1(F)C[C@@]12CCCN(c1ncncc1-c1nn[n-]n1)C2 ZINC001606300051 1163846648 /nfs/dbraw/zinc/84/66/48/1163846648.db2.gz GEGZRIRWIALCOG-LLVKDONJSA-N -1 1 293.281 1.282 20 0 CDADMM FC[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CCO1 ZINC001606302663 1163848694 /nfs/dbraw/zinc/84/86/94/1163848694.db2.gz ISMOQDWDTGWLIJ-ZETCQYMHSA-N -1 1 298.709 1.090 20 0 CDADMM FC[C@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CCO1 ZINC001606302663 1163848700 /nfs/dbraw/zinc/84/87/00/1163848700.db2.gz ISMOQDWDTGWLIJ-ZETCQYMHSA-N -1 1 298.709 1.090 20 0 CDADMM O=C(NC1(C2CC2)CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606640962 1163944312 /nfs/dbraw/zinc/94/43/12/1163944312.db2.gz KPIYGIOFJPJYGJ-UHFFFAOYSA-N -1 1 284.323 1.324 20 0 CDADMM O=C(NC1(C2CC2)CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606640962 1163944318 /nfs/dbraw/zinc/94/43/18/1163944318.db2.gz KPIYGIOFJPJYGJ-UHFFFAOYSA-N -1 1 284.323 1.324 20 0 CDADMM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(-c2nnn[n-]2)s1 ZINC001606670039 1163955404 /nfs/dbraw/zinc/95/54/04/1163955404.db2.gz IONJGBJVSPRRLT-VGMNWLOBSA-N -1 1 289.364 1.847 20 0 CDADMM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(-c2nn[n-]n2)s1 ZINC001606670039 1163955409 /nfs/dbraw/zinc/95/54/09/1163955409.db2.gz IONJGBJVSPRRLT-VGMNWLOBSA-N -1 1 289.364 1.847 20 0 CDADMM CO[C@@H]1CN(C(=O)c2cccc(F)c2O)[C@@](C)(C(=O)[O-])C1 ZINC001606765188 1163987888 /nfs/dbraw/zinc/98/78/88/1163987888.db2.gz LYWPUGZXCVNMGB-RMLUDKJBSA-N -1 1 297.282 1.236 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCC[C@@H]1C1CC1 ZINC001606944434 1164033676 /nfs/dbraw/zinc/03/36/76/1164033676.db2.gz SFYLVBJODFQBKY-GFCCVEGCSA-N -1 1 299.338 1.668 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCC[C@@H]1C1CC1 ZINC001606944434 1164033681 /nfs/dbraw/zinc/03/36/81/1164033681.db2.gz SFYLVBJODFQBKY-GFCCVEGCSA-N -1 1 299.338 1.668 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CCCC12CC2 ZINC001606953702 1164036272 /nfs/dbraw/zinc/03/62/72/1164036272.db2.gz YQUQPHDCONTHBP-SSDOTTSWSA-N -1 1 290.352 1.842 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CCCC12CC2 ZINC001606953702 1164036276 /nfs/dbraw/zinc/03/62/76/1164036276.db2.gz YQUQPHDCONTHBP-SSDOTTSWSA-N -1 1 290.352 1.842 20 0 CDADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)[C@@H]1CCC=CO1 ZINC001606985014 1164049817 /nfs/dbraw/zinc/04/98/17/1164049817.db2.gz GEXMYIIMCWTIGO-QMMMGPOBSA-N -1 1 293.308 1.059 20 0 CDADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)[C@@H]1CCC=CO1 ZINC001606985014 1164049825 /nfs/dbraw/zinc/04/98/25/1164049825.db2.gz GEXMYIIMCWTIGO-QMMMGPOBSA-N -1 1 293.308 1.059 20 0 CDADMM c1ccc2c(c1)nnn2COc1cccnc1-c1nnn[n-]1 ZINC001607133831 1164112054 /nfs/dbraw/zinc/11/20/54/1164112054.db2.gz SCXHONOHWBPECJ-UHFFFAOYSA-N -1 1 294.278 1.043 20 0 CDADMM c1ccc2c(c1)nnn2COc1cccnc1-c1nn[n-]n1 ZINC001607133831 1164112058 /nfs/dbraw/zinc/11/20/58/1164112058.db2.gz SCXHONOHWBPECJ-UHFFFAOYSA-N -1 1 294.278 1.043 20 0 CDADMM c1nc(-c2nn[n-]n2)ncc1OC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001607137611 1164116514 /nfs/dbraw/zinc/11/65/14/1164116514.db2.gz XQCDLOURADDFPX-BBBLOLIVSA-N -1 1 272.312 1.472 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NC[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC001607139191 1164119870 /nfs/dbraw/zinc/11/98/70/1164119870.db2.gz XMRALLBCZCHWJP-UTLUCORTSA-N -1 1 271.328 1.505 20 0 CDADMM C[C@H](NCc1ccc(C(=O)[O-])c(Cl)c1)C(=O)N(C)C ZINC001607460968 1164189538 /nfs/dbraw/zinc/18/95/38/1164189538.db2.gz SYNIHCBCRZJRNP-QMMMGPOBSA-N -1 1 284.743 1.605 20 0 CDADMM C[C@H]1CN(Cc2nc(-c3ccoc3)no2)CC[C@H]1C(=O)[O-] ZINC001607478684 1164198145 /nfs/dbraw/zinc/19/81/45/1164198145.db2.gz YWNWQUVSLAWMKB-GXSJLCMTSA-N -1 1 291.307 1.872 20 0 CDADMM Cc1cc(NC(=O)c2cc(C(F)F)n[nH]2)c(C(=O)[O-])[nH]1 ZINC001607692934 1164271698 /nfs/dbraw/zinc/27/16/98/1164271698.db2.gz TVZSRMSQHQCGQW-UHFFFAOYSA-N -1 1 284.222 1.934 20 0 CDADMM Cc1ccc([C@H](CNc2nccnc2CN)C(=O)[O-])cc1 ZINC001607759529 1164286819 /nfs/dbraw/zinc/28/68/19/1164286819.db2.gz OJEQSNKLMNVVCT-LBPRGKRZSA-N -1 1 286.335 1.524 20 0 CDADMM CN(C)c1nc(Nc2cccc3cnn(C)c32)cc(=O)[n-]1 ZINC001175441520 1164304801 /nfs/dbraw/zinc/30/48/01/1164304801.db2.gz RZHPVFCDNDAYMJ-UHFFFAOYSA-N -1 1 284.323 1.879 20 0 CDADMM Cc1cncc(CN[C@@H](C(=O)[O-])c2cccnc2)c1 ZINC001607911245 1164334941 /nfs/dbraw/zinc/33/49/41/1164334941.db2.gz FCCOGOCURUWUFP-CYBMUJFWSA-N -1 1 257.293 1.701 20 0 CDADMM Cc1nc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c[nH]1 ZINC001607946239 1164347671 /nfs/dbraw/zinc/34/76/71/1164347671.db2.gz DLBFPPYWZVQWTE-UHFFFAOYSA-N -1 1 285.263 1.545 20 0 CDADMM Cc1n[nH]c([C@H]2CCN([C@@H](C)c3nc(C(=O)[O-])co3)C2)n1 ZINC001607952078 1164351911 /nfs/dbraw/zinc/35/19/11/1164351911.db2.gz NDISRIOUDCHKOE-CBAPKCEASA-N -1 1 291.311 1.350 20 0 CDADMM Cc1nnc([C@H]2CCN([C@@H](C)c3nc(C(=O)[O-])co3)C2)[nH]1 ZINC001607952078 1164351917 /nfs/dbraw/zinc/35/19/17/1164351917.db2.gz NDISRIOUDCHKOE-CBAPKCEASA-N -1 1 291.311 1.350 20 0 CDADMM Cc1nnc(CN2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)n1C1CC1 ZINC001608016824 1164378084 /nfs/dbraw/zinc/37/80/84/1164378084.db2.gz XVQBKHDTWTUCHZ-NHYWBVRUSA-N -1 1 290.367 1.608 20 0 CDADMM Cn1nc(NC(=O)Cc2n[nH]c3ccccc23)cc1C(=O)[O-] ZINC001608150170 1164426199 /nfs/dbraw/zinc/42/61/99/1164426199.db2.gz UUTPEPDKQCYIRU-UHFFFAOYSA-N -1 1 299.290 1.176 20 0 CDADMM Cn1ncc2c1CCCN(Cc1c[nH]c(C(=O)[O-])c1)C2 ZINC001608160389 1164428546 /nfs/dbraw/zinc/42/85/46/1164428546.db2.gz AOVWDAHBHGZJMK-UHFFFAOYSA-N -1 1 274.324 1.395 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)COCC(F)F)[nH]c21 ZINC001608347647 1164495159 /nfs/dbraw/zinc/49/51/59/1164495159.db2.gz QPWRRPZESMUFNM-UHFFFAOYSA-N -1 1 299.233 1.481 20 0 CDADMM O=C([O-])c1ccc(CC(=O)Nc2ccc3[nH]nnc3c2)cc1 ZINC001608359281 1164497291 /nfs/dbraw/zinc/49/72/91/1164497291.db2.gz HQGLRXVMFIPRIO-UHFFFAOYSA-N -1 1 296.286 1.837 20 0 CDADMM O=C([O-])[C@@H](C[C@H]1CCCO1)NCc1cc2cccnc2o1 ZINC001608533687 1164534706 /nfs/dbraw/zinc/53/47/06/1164534706.db2.gz WXYKERMRFRYPLN-DGCLKSJQSA-N -1 1 290.319 1.940 20 0 CDADMM O=C([O-])[C@@H](C[C@@H]1CCCO1)NCc1cc2cccnc2o1 ZINC001608533688 1164534849 /nfs/dbraw/zinc/53/48/49/1164534849.db2.gz WXYKERMRFRYPLN-WCQYABFASA-N -1 1 290.319 1.940 20 0 CDADMM COCC[C@@H]1COCCN1C(=O)c1c([O-])cccc1Cl ZINC000794834347 1164627355 /nfs/dbraw/zinc/62/73/55/1164627355.db2.gz UQVBNDWSFVSMSC-SNVBAGLBSA-N -1 1 299.754 1.923 20 0 CDADMM O=C([O-])[C@]12CN(Cc3c(F)cncc3F)C[C@H]1COCC2 ZINC001608817532 1164648840 /nfs/dbraw/zinc/64/88/40/1164648840.db2.gz BFYQLWOQHISFJK-LKFCYVNXSA-N -1 1 298.289 1.283 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(c3cc[nH+]c4c([O-])cccc34)C[C@@H]21 ZINC001608817137 1164648904 /nfs/dbraw/zinc/64/89/04/1164648904.db2.gz AQWLLXJJFNDNIC-IWIIMEHWSA-N -1 1 270.288 1.707 20 0 CDADMM O=C([O-])c1ccc(CN[C@H]2c3ccccc3CC[C@H]2O)nc1 ZINC001608888255 1164677420 /nfs/dbraw/zinc/67/74/20/1164677420.db2.gz NXRWKJHQVROZST-CVEARBPZSA-N -1 1 298.342 1.918 20 0 CDADMM O=C([O-])c1ccc(Cl)c(C[N@@H+]2CCC(CO)(CO)C2)c1 ZINC001608892445 1164678338 /nfs/dbraw/zinc/67/83/38/1164678338.db2.gz QIIJRMDOVUXVRC-UHFFFAOYSA-N -1 1 299.754 1.215 20 0 CDADMM O=C([O-])c1ccc(Cl)c(CN2CCC(CO)(CO)C2)c1 ZINC001608892445 1164678344 /nfs/dbraw/zinc/67/83/44/1164678344.db2.gz QIIJRMDOVUXVRC-UHFFFAOYSA-N -1 1 299.754 1.215 20 0 CDADMM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1O ZINC001608901984 1164680737 /nfs/dbraw/zinc/68/07/37/1164680737.db2.gz KPAHHAJCRVJZEA-NXEZZACHSA-N -1 1 287.275 1.556 20 0 CDADMM O=C([O-])c1cccc(CN2CCC[C@@H](n3ccnc3)C2)n1 ZINC001608931043 1164687051 /nfs/dbraw/zinc/68/70/51/1164687051.db2.gz SRTATURLSUURFP-CYBMUJFWSA-N -1 1 286.335 1.813 20 0 CDADMM CC(C)(C)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001609074579 1164757047 /nfs/dbraw/zinc/75/70/47/1164757047.db2.gz TZBFRSNTYGGBIN-SNVBAGLBSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)(C)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001609074579 1164757053 /nfs/dbraw/zinc/75/70/53/1164757053.db2.gz TZBFRSNTYGGBIN-SNVBAGLBSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)(CF)NCc1nc(-c2nnn[n-]2)cs1 ZINC001609083926 1164760169 /nfs/dbraw/zinc/76/01/69/1164760169.db2.gz VZOWXZCOWRIFHL-UHFFFAOYSA-N -1 1 256.310 1.161 20 0 CDADMM CC(C)=CCOC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001609085474 1164762501 /nfs/dbraw/zinc/76/25/01/1164762501.db2.gz BDFNMUTZJFCKHP-UHFFFAOYSA-N -1 1 262.269 1.891 20 0 CDADMM CC(C)=CCOC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609085474 1164762508 /nfs/dbraw/zinc/76/25/08/1164762508.db2.gz BDFNMUTZJFCKHP-UHFFFAOYSA-N -1 1 262.269 1.891 20 0 CDADMM CC(C)[C@@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609087060 1164762978 /nfs/dbraw/zinc/76/29/78/1164762978.db2.gz KMFJVHSILQKWKT-MRVPVSSYSA-N -1 1 263.301 1.576 20 0 CDADMM CC(C)[C@@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609087060 1164762981 /nfs/dbraw/zinc/76/29/81/1164762981.db2.gz KMFJVHSILQKWKT-MRVPVSSYSA-N -1 1 263.301 1.576 20 0 CDADMM CC(C)CC(=O)COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609092310 1164766284 /nfs/dbraw/zinc/76/62/84/1164766284.db2.gz DHYPIUKGIJKZEO-UHFFFAOYSA-N -1 1 289.295 1.034 20 0 CDADMM CC(C)CC(=O)COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609092310 1164766291 /nfs/dbraw/zinc/76/62/91/1164766291.db2.gz DHYPIUKGIJKZEO-UHFFFAOYSA-N -1 1 289.295 1.034 20 0 CDADMM C[C@H](CCCCO)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001609110751 1164773152 /nfs/dbraw/zinc/77/31/52/1164773152.db2.gz YSZPQOHTFONFGN-MRVPVSSYSA-N -1 1 296.762 1.878 20 0 CDADMM C[C@H](CCCCO)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001609110751 1164773160 /nfs/dbraw/zinc/77/31/60/1164773160.db2.gz YSZPQOHTFONFGN-MRVPVSSYSA-N -1 1 296.762 1.878 20 0 CDADMM C[C@@H]1[C@H](C)CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H]1C ZINC001609172192 1164813024 /nfs/dbraw/zinc/81/30/24/1164813024.db2.gz POXVTQRJWSJYMK-BBBLOLIVSA-N -1 1 286.339 1.378 20 0 CDADMM C[C@@H]1[C@H](C)CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H]1C ZINC001609172192 1164813034 /nfs/dbraw/zinc/81/30/34/1164813034.db2.gz POXVTQRJWSJYMK-BBBLOLIVSA-N -1 1 286.339 1.378 20 0 CDADMM CC[C@H]1C[C@@H](C)CN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609198650 1164839291 /nfs/dbraw/zinc/83/92/91/1164839291.db2.gz GKOUQGHVYSDDLN-SCZZXKLOSA-N -1 1 273.344 1.590 20 0 CDADMM CC[C@H]1C[C@@H](C)CN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609198650 1164839295 /nfs/dbraw/zinc/83/92/95/1164839295.db2.gz GKOUQGHVYSDDLN-SCZZXKLOSA-N -1 1 273.344 1.590 20 0 CDADMM CCC1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001609201097 1164840957 /nfs/dbraw/zinc/84/09/57/1164840957.db2.gz YNGHMEXOQBNADE-UHFFFAOYSA-N -1 1 286.339 1.524 20 0 CDADMM CCC1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001609201097 1164840963 /nfs/dbraw/zinc/84/09/63/1164840963.db2.gz YNGHMEXOQBNADE-UHFFFAOYSA-N -1 1 286.339 1.524 20 0 CDADMM CC[C@H]1CCCCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609200713 1164841003 /nfs/dbraw/zinc/84/10/03/1164841003.db2.gz FLTVYOUFTAPTQP-NSHDSACASA-N -1 1 286.339 1.666 20 0 CDADMM CC[C@H]1CCCCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609200713 1164841012 /nfs/dbraw/zinc/84/10/12/1164841012.db2.gz FLTVYOUFTAPTQP-NSHDSACASA-N -1 1 286.339 1.666 20 0 CDADMM CO[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001609310762 1164888728 /nfs/dbraw/zinc/88/87/28/1164888728.db2.gz MPYBEIHVRWJWEG-SECBINFHSA-N -1 1 277.332 1.130 20 0 CDADMM CO[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC001609310762 1164888742 /nfs/dbraw/zinc/88/87/42/1164888742.db2.gz MPYBEIHVRWJWEG-SECBINFHSA-N -1 1 277.332 1.130 20 0 CDADMM C[C@@]1(O)C[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001609376503 1164916954 /nfs/dbraw/zinc/91/69/54/1164916954.db2.gz ANBUOFWZRMEFMG-BOCCDJDJSA-N -1 1 286.748 1.302 20 0 CDADMM C[C@@]1(O)C[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001609376503 1164916960 /nfs/dbraw/zinc/91/69/60/1164916960.db2.gz ANBUOFWZRMEFMG-BOCCDJDJSA-N -1 1 286.748 1.302 20 0 CDADMM O=C(Nc1cncc(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001609568876 1164991869 /nfs/dbraw/zinc/99/18/69/1164991869.db2.gz BHKJWHUUQRWXCN-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(Nc1cncc(F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001609568876 1164991881 /nfs/dbraw/zinc/99/18/81/1164991881.db2.gz BHKJWHUUQRWXCN-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C([N-]c1cnoc1)c1sccc1-c1nn[nH]n1 ZINC001609568887 1164992367 /nfs/dbraw/zinc/99/23/67/1164992367.db2.gz BYCHLSQGPBSSEL-UHFFFAOYSA-N -1 1 262.254 1.169 20 0 CDADMM c1ccc([C@@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001609616386 1165011464 /nfs/dbraw/zinc/01/14/64/1165011464.db2.gz HPIRCCKSCDYDLV-LBPRGKRZSA-N -1 1 294.322 1.393 20 0 CDADMM c1ccc([C@@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001609616386 1165011467 /nfs/dbraw/zinc/01/14/67/1165011467.db2.gz HPIRCCKSCDYDLV-LBPRGKRZSA-N -1 1 294.322 1.393 20 0 CDADMM c1ccc(CNc2cccnc2-c2nnn[n-]2)nc1 ZINC001609617393 1165013075 /nfs/dbraw/zinc/01/30/75/1165013075.db2.gz OPOYQOFIWAFPQR-UHFFFAOYSA-N -1 1 253.269 1.269 20 0 CDADMM c1ccc(CNc2cccnc2-c2nn[n-]n2)nc1 ZINC001609617393 1165013085 /nfs/dbraw/zinc/01/30/85/1165013085.db2.gz OPOYQOFIWAFPQR-UHFFFAOYSA-N -1 1 253.269 1.269 20 0 CDADMM c1cn2ncc(-c3nn[n-]n3)c2n1CCOCC1CCC1 ZINC001609620572 1165016568 /nfs/dbraw/zinc/01/65/68/1165016568.db2.gz ISUYKOSJOSBJOB-UHFFFAOYSA-N -1 1 287.327 1.133 20 0 CDADMM CCn1cc(CCNC(C)(C)c2nocc2C(=O)[O-])cn1 ZINC001610083043 1165209308 /nfs/dbraw/zinc/20/93/08/1165209308.db2.gz YRYDPQYYIMBDCV-UHFFFAOYSA-N -1 1 292.339 1.657 20 0 CDADMM Cc1cnn([C@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])cn3)C2)c1 ZINC001610541246 1165347258 /nfs/dbraw/zinc/34/72/58/1165347258.db2.gz AWSOXUYNDNXAIO-AWEZNQCLSA-N -1 1 286.335 1.732 20 0 CDADMM Cc1cnn([C@H]2CCN(Cc3ccc(C(=O)[O-])cn3)C2)c1 ZINC001610541246 1165347263 /nfs/dbraw/zinc/34/72/63/1165347263.db2.gz AWSOXUYNDNXAIO-AWEZNQCLSA-N -1 1 286.335 1.732 20 0 CDADMM O=C([O-])[C@@H](NCC(=O)NCCCC1CCCCC1)C1CC1 ZINC001610665565 1165401821 /nfs/dbraw/zinc/40/18/21/1165401821.db2.gz JSGBGONHICNHNZ-HNNXBMFYSA-N -1 1 296.411 1.916 20 0 CDADMM O=C([O-])[C@@H]1CN(Cc2nc(C3CC3)no2)C[C@H]1C1CC1 ZINC001610802351 1165447197 /nfs/dbraw/zinc/44/71/97/1165447197.db2.gz FOWMUHWWLOTMIA-WDEREUQCSA-N -1 1 277.324 1.490 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)[C@@]3(F)CCOC3)[nH]c21 ZINC001610850144 1165462082 /nfs/dbraw/zinc/46/20/82/1165462082.db2.gz PKKVWXLGPMZINQ-CYBMUJFWSA-N -1 1 293.254 1.328 20 0 CDADMM O=C([O-])c1coc(CN2CC[C@H](n3cncn3)C2)c1 ZINC001610867475 1165467916 /nfs/dbraw/zinc/46/79/16/1165467916.db2.gz KHHFDEJUHFFLKZ-JTQLQIEISA-N -1 1 262.269 1.016 20 0 CDADMM O=C(Cc1ccc([O-])c(Cl)c1)NCc1ncc[nH]1 ZINC001628024438 1166032428 /nfs/dbraw/zinc/03/24/28/1166032428.db2.gz FYUGRHJCYATSLJ-UHFFFAOYSA-N -1 1 265.700 1.628 20 0 CDADMM CCn1cnnc1CNC(=O)c1ncc2ccccc2c1[O-] ZINC001630196814 1166191219 /nfs/dbraw/zinc/19/12/19/1166191219.db2.gz MPKBYYMATQDOBD-UHFFFAOYSA-N -1 1 297.318 1.482 20 0 CDADMM Cc1n[nH]nc1NC(=O)c1c(F)ccc([O-])c1F ZINC001630642457 1166219981 /nfs/dbraw/zinc/21/99/81/1166219981.db2.gz NNHXLAGTKAWRHO-UHFFFAOYSA-N -1 1 254.196 1.349 20 0 CDADMM O=C(NCC[C@H]1CCCO1)c1cccc([O-])c1F ZINC001155326323 1167127746 /nfs/dbraw/zinc/12/77/46/1167127746.db2.gz SPTIHYVTVFGJFI-SECBINFHSA-N -1 1 253.273 1.830 20 0 CDADMM Cc1ccc(CC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)o1 ZINC001642557856 1167181024 /nfs/dbraw/zinc/18/10/24/1167181024.db2.gz JAZXNDZHEKTDRI-AWEZNQCLSA-N -1 1 297.318 1.549 20 0 CDADMM O=C(c1ccccc1[O-])N1c2ccccc2C[C@H]1CO ZINC001645181227 1167373092 /nfs/dbraw/zinc/37/30/92/1167373092.db2.gz SMTPXYCCBFUMRP-LBPRGKRZSA-N -1 1 269.300 1.956 20 0 CDADMM Cc1ccc(C(=O)NCc2nn[n-]n2)c2ccccc12 ZINC001565583874 1168156335 /nfs/dbraw/zinc/15/63/35/1168156335.db2.gz BQOFFWIMVGHZND-UHFFFAOYSA-N -1 1 267.292 1.591 20 0 CDADMM COC(=O)c1oc(S(=O)(=O)[N-]C2(C)CC2)cc1C ZINC001647275272 1168512144 /nfs/dbraw/zinc/51/21/44/1168512144.db2.gz MMUZLYBCSRBPEH-UHFFFAOYSA-N -1 1 273.310 1.205 20 0 CDADMM Cn1c(=O)[nH]c2ccc(NC(=O)c3ccc([O-])cn3)cc21 ZINC001567946615 1169085035 /nfs/dbraw/zinc/08/50/35/1169085035.db2.gz RYGXISJGDCMVOO-UHFFFAOYSA-N -1 1 284.275 1.632 20 0 CDADMM O=C([O-])[C@H](CO)NCc1ccc(F)cc1Br ZINC001650014910 1169609418 /nfs/dbraw/zinc/60/94/18/1169609418.db2.gz DUDXSAKEVMWBTD-VIFPVBQESA-N -1 1 292.104 1.123 20 0 CDADMM CO[C@@H]1CCC[C@@H]1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001650243540 1170881577 /nfs/dbraw/zinc/88/15/77/1170881577.db2.gz YJTRXIDGBCHFKT-JOYOIKCWSA-N -1 1 274.324 1.095 20 0 CDADMM O=C([O-])[C@@H]1CCCN(CC(=O)N[C@@H]2C[C@H]2c2ccco2)C1 ZINC001574299996 1170942850 /nfs/dbraw/zinc/94/28/50/1170942850.db2.gz ZUTGTRPKUKCBQW-IJLUTSLNSA-N -1 1 292.335 1.048 20 0 CDADMM O=C([O-])c1n[nH]c(CNC2CC(c3cccc(F)c3)C2)n1 ZINC001574422728 1170977830 /nfs/dbraw/zinc/97/78/30/1170977830.db2.gz LHFWFZYSBPQKTK-UHFFFAOYSA-N -1 1 290.298 1.678 20 0 CDADMM O=C([O-])c1ncc(CN[C@H]2CCCCC23OCCO3)s1 ZINC001574423224 1170978143 /nfs/dbraw/zinc/97/81/43/1170978143.db2.gz MHLHHFPSMAUCGW-JTQLQIEISA-N -1 1 298.364 1.617 20 0 CDADMM COc1ccc2c(c1)[C@@H](C(=O)OCc1nn[n-]n1)CCC2 ZINC001650482455 1171115505 /nfs/dbraw/zinc/11/55/05/1171115505.db2.gz OUFBMJHPRFEOLA-NSHDSACASA-N -1 1 288.307 1.372 20 0 CDADMM CCCO[N-]C(=O)[C@H]1NCCOc2ccccc21 ZINC001577580049 1171697578 /nfs/dbraw/zinc/69/75/78/1171697578.db2.gz ZVBCJFSKPTXKFF-LBPRGKRZSA-N -1 1 250.298 1.168 20 0 CDADMM CC[C@@H]1C[C@H]1CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001578440289 1171912048 /nfs/dbraw/zinc/91/20/48/1171912048.db2.gz URFMMOOQTRVANI-SFYZADRCSA-N -1 1 277.353 1.704 20 0 CDADMM Fc1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1F ZINC001581855034 1172625259 /nfs/dbraw/zinc/62/52/59/1172625259.db2.gz JATVMCNONSSORL-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM Fc1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1F ZINC001581855034 1172625263 /nfs/dbraw/zinc/62/52/63/1172625263.db2.gz JATVMCNONSSORL-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(N[C@@H]2C[C@@H]3CCCC[C@H]23)n1 ZINC001582820649 1172697935 /nfs/dbraw/zinc/69/79/35/1172697935.db2.gz UDIGTEHFJZYTJE-ATZCPNFKSA-N -1 1 271.328 1.647 20 0 CDADMM CC(C)(C)[C@H]1CCCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001589101891 1173124730 /nfs/dbraw/zinc/12/47/30/1173124730.db2.gz AVFCZNMLFOHBPC-JTQLQIEISA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001589508558 1173153870 /nfs/dbraw/zinc/15/38/70/1173153870.db2.gz CYCDTHRUVPJSQW-VIFPVBQESA-N -1 1 259.317 1.139 20 0 CDADMM CC(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001589508558 1173153872 /nfs/dbraw/zinc/15/38/72/1173153872.db2.gz CYCDTHRUVPJSQW-VIFPVBQESA-N -1 1 259.317 1.139 20 0 CDADMM CC(C)n1ccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001589781989 1173178667 /nfs/dbraw/zinc/17/86/67/1173178667.db2.gz GDKBADZVBLLYGK-UHFFFAOYSA-N -1 1 287.283 1.489 20 0 CDADMM C[C@H](C1CC1)N(C)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589788401 1173181658 /nfs/dbraw/zinc/18/16/58/1173181658.db2.gz ZZJCANULYZTVHN-SSDOTTSWSA-N -1 1 277.353 1.799 20 0 CDADMM C[C@@H](CCO)Sc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001589835430 1173189580 /nfs/dbraw/zinc/18/95/80/1173189580.db2.gz SBXRVAPTXMLHKW-BYPYZUCNSA-N -1 1 291.789 1.840 20 0 CDADMM C[C@@H](CCO)Sc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589835430 1173189584 /nfs/dbraw/zinc/18/95/84/1173189584.db2.gz SBXRVAPTXMLHKW-BYPYZUCNSA-N -1 1 291.789 1.840 20 0 CDADMM C[C@@H](CCO)N(C)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001589835706 1173189604 /nfs/dbraw/zinc/18/96/04/1173189604.db2.gz ZORADNXMYISOIJ-JTQLQIEISA-N -1 1 298.350 1.622 20 0 CDADMM C[C@@H](CCO)N(C)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001589835706 1173189607 /nfs/dbraw/zinc/18/96/07/1173189607.db2.gz ZORADNXMYISOIJ-JTQLQIEISA-N -1 1 298.350 1.622 20 0 CDADMM C[C@@H](COC(=O)c1coc(-c2nnn[n-]2)c1)CC(F)F ZINC001589883122 1173195760 /nfs/dbraw/zinc/19/57/60/1173195760.db2.gz CKIMPRZAKKVGEH-ZCFIWIBFSA-N -1 1 286.238 1.908 20 0 CDADMM C[C@H](O)CCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001589999666 1173231142 /nfs/dbraw/zinc/23/11/42/1173231142.db2.gz USXDYVVCDANMCG-ZETCQYMHSA-N -1 1 282.735 1.488 20 0 CDADMM C[C@H](O)CCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001589999666 1173231147 /nfs/dbraw/zinc/23/11/47/1173231147.db2.gz USXDYVVCDANMCG-ZETCQYMHSA-N -1 1 282.735 1.488 20 0 CDADMM C[C@@]1(C(=O)Nc2ncc(-c3nnn[n-]3)s2)C=CCC1 ZINC001590070515 1173242924 /nfs/dbraw/zinc/24/29/24/1173242924.db2.gz AXYZAGOPAGDIHI-LLVKDONJSA-N -1 1 276.325 1.618 20 0 CDADMM C[C@@]1(C(=O)Nc2ncc(-c3nn[n-]n3)s2)C=CCC1 ZINC001590070515 1173242928 /nfs/dbraw/zinc/24/29/28/1173242928.db2.gz AXYZAGOPAGDIHI-LLVKDONJSA-N -1 1 276.325 1.618 20 0 CDADMM CC1(C)CC[C@H](CNC(=O)c2coc(-c3nnn[n-]3)c2)O1 ZINC001590089721 1173253006 /nfs/dbraw/zinc/25/30/06/1173253006.db2.gz CJOHGGNJCCFICW-SECBINFHSA-N -1 1 291.311 1.147 20 0 CDADMM CC1(C)CC[C@H](CNC(=O)c2coc(-c3nn[n-]n3)c2)O1 ZINC001590089721 1173253010 /nfs/dbraw/zinc/25/30/10/1173253010.db2.gz CJOHGGNJCCFICW-SECBINFHSA-N -1 1 291.311 1.147 20 0 CDADMM CC1(C)CC[C@@H]1OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590093094 1173253531 /nfs/dbraw/zinc/25/35/31/1173253531.db2.gz NWMRPSZOXOUFNC-VIFPVBQESA-N -1 1 262.269 1.805 20 0 CDADMM CC1(C)CCC[C@@H](Cn2ccnc2-c2nnn[n-]2)O1 ZINC001590094785 1173253578 /nfs/dbraw/zinc/25/35/78/1173253578.db2.gz SVYVYHKMLLRYNM-VIFPVBQESA-N -1 1 262.317 1.411 20 0 CDADMM CC1(C)CCC[C@@H](Cn2ccnc2-c2nn[n-]n2)O1 ZINC001590094785 1173253584 /nfs/dbraw/zinc/25/35/84/1173253584.db2.gz SVYVYHKMLLRYNM-VIFPVBQESA-N -1 1 262.317 1.411 20 0 CDADMM CC1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001590100600 1173256180 /nfs/dbraw/zinc/25/61/80/1173256180.db2.gz SBRXBTZZEWKAPB-UHFFFAOYSA-N -1 1 275.312 1.722 20 0 CDADMM CC1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001590100600 1173256186 /nfs/dbraw/zinc/25/61/86/1173256186.db2.gz SBRXBTZZEWKAPB-UHFFFAOYSA-N -1 1 275.312 1.722 20 0 CDADMM CC1(C)CN(c2ccnc(-c3nnn[n-]3)c2)CC(C)(C)O1 ZINC001590108045 1173259184 /nfs/dbraw/zinc/25/91/84/1173259184.db2.gz HELIXKCQJSRGNO-UHFFFAOYSA-N -1 1 288.355 1.656 20 0 CDADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)c2)CC(C)(C)O1 ZINC001590108045 1173259192 /nfs/dbraw/zinc/25/91/92/1173259192.db2.gz HELIXKCQJSRGNO-UHFFFAOYSA-N -1 1 288.355 1.656 20 0 CDADMM C[C@@]1(NC(=O)c2ccc(-c3nnn[n-]3)o2)CC=CCC1 ZINC001590145851 1173272616 /nfs/dbraw/zinc/27/26/16/1173272616.db2.gz WGUCNSGEAZVHKF-CYBMUJFWSA-N -1 1 273.296 1.688 20 0 CDADMM C[C@@]1(NC(=O)c2ccc(-c3nn[n-]n3)o2)CC=CCC1 ZINC001590145851 1173272618 /nfs/dbraw/zinc/27/26/18/1173272618.db2.gz WGUCNSGEAZVHKF-CYBMUJFWSA-N -1 1 273.296 1.688 20 0 CDADMM C[C@]1(c2noc(-c3ccc(-c4nn[n-]n4)o3)n2)CCCO1 ZINC001590152150 1173273860 /nfs/dbraw/zinc/27/38/60/1173273860.db2.gz DAGUODONXPXSJK-GFCCVEGCSA-N -1 1 288.267 1.535 20 0 CDADMM C[C@@H]1C[C@@H](C)N1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590188259 1173283053 /nfs/dbraw/zinc/28/30/53/1173283053.db2.gz CDKZAEZOEBVTKC-HTQZYQBOSA-N -1 1 273.300 1.276 20 0 CDADMM C[C@@H]1C[C@@H](C)N1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590188259 1173283062 /nfs/dbraw/zinc/28/30/62/1173283062.db2.gz CDKZAEZOEBVTKC-HTQZYQBOSA-N -1 1 273.300 1.276 20 0 CDADMM C[C@@H]1C[C@H](C)CN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590192655 1173286805 /nfs/dbraw/zinc/28/68/05/1173286805.db2.gz VWKOAZLUHDGKEU-JGVFFNPUSA-N -1 1 261.285 1.330 20 0 CDADMM C[C@@H]1C[C@H](C)CN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590192655 1173286812 /nfs/dbraw/zinc/28/68/12/1173286812.db2.gz VWKOAZLUHDGKEU-JGVFFNPUSA-N -1 1 261.285 1.330 20 0 CDADMM C[C@H]1CC(OC(=O)c2coc(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC001590213831 1173295341 /nfs/dbraw/zinc/29/53/41/1173295341.db2.gz KWXHZLVAJOWEHH-YUMQZZPRSA-N -1 1 292.295 1.573 20 0 CDADMM C[C@H]1CC(OC(=O)c2coc(-c3nn[n-]n3)c2)C[C@H](C)O1 ZINC001590213831 1173295346 /nfs/dbraw/zinc/29/53/46/1173295346.db2.gz KWXHZLVAJOWEHH-YUMQZZPRSA-N -1 1 292.295 1.573 20 0 CDADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001590218795 1173297271 /nfs/dbraw/zinc/29/72/71/1173297271.db2.gz LRMBSVPYXDPEDT-KATARQTJSA-N -1 1 271.328 1.361 20 0 CDADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001590218795 1173297273 /nfs/dbraw/zinc/29/72/73/1173297273.db2.gz LRMBSVPYXDPEDT-KATARQTJSA-N -1 1 271.328 1.361 20 0 CDADMM C[C@@H]1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)O1 ZINC001590241113 1173313126 /nfs/dbraw/zinc/31/31/26/1173313126.db2.gz GIFIBNVUVRKKQT-BDAKNGLRSA-N -1 1 275.316 1.026 20 0 CDADMM C[C@@H]1SCCN(C(=O)c2coc(-c3nnn[n-]3)c2)[C@H]1C ZINC001590339168 1173363641 /nfs/dbraw/zinc/36/36/41/1173363641.db2.gz WBEGCYMDHGGXPT-YUMQZZPRSA-N -1 1 293.352 1.426 20 0 CDADMM C[C@@H]1SCCN(C(=O)c2coc(-c3nn[n-]n3)c2)[C@H]1C ZINC001590339168 1173363647 /nfs/dbraw/zinc/36/36/47/1173363647.db2.gz WBEGCYMDHGGXPT-YUMQZZPRSA-N -1 1 293.352 1.426 20 0 CDADMM CC=CC=CC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590355474 1173371007 /nfs/dbraw/zinc/37/10/07/1173371007.db2.gz ZPKGQPNDOVKXFT-IAROGAJJSA-N -1 1 276.325 1.072 20 0 CDADMM CC=CC=CC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590355474 1173371013 /nfs/dbraw/zinc/37/10/13/1173371013.db2.gz ZPKGQPNDOVKXFT-IAROGAJJSA-N -1 1 276.325 1.072 20 0 CDADMM CC[C@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)C(F)F ZINC001590460217 1173415804 /nfs/dbraw/zinc/41/58/04/1173415804.db2.gz ZJJONMSNBHMFKF-ZETCQYMHSA-N -1 1 282.254 1.035 20 0 CDADMM CC[C@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)C(F)F ZINC001590460217 1173415813 /nfs/dbraw/zinc/41/58/13/1173415813.db2.gz ZJJONMSNBHMFKF-ZETCQYMHSA-N -1 1 282.254 1.035 20 0 CDADMM CCC1(C)CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001590489663 1173432245 /nfs/dbraw/zinc/43/22/45/1173432245.db2.gz DBBHFKVGYQPWIK-UHFFFAOYSA-N -1 1 285.355 1.770 20 0 CDADMM CCC1(C)CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001590489663 1173432250 /nfs/dbraw/zinc/43/22/50/1173432250.db2.gz DBBHFKVGYQPWIK-UHFFFAOYSA-N -1 1 285.355 1.770 20 0 CDADMM CC[C@@H]1[C@H](C)CCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001590502287 1173437822 /nfs/dbraw/zinc/43/78/22/1173437822.db2.gz NLFGCAUCCOGTHS-PSASIEDQSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@@H]1[C@H](C)CCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001590502287 1173437827 /nfs/dbraw/zinc/43/78/27/1173437827.db2.gz NLFGCAUCCOGTHS-PSASIEDQSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@H]1C[C@H](Nc2ccc(C)c(-c3nnn[n-]3)n2)CCO1 ZINC001590503752 1173440868 /nfs/dbraw/zinc/44/08/68/1173440868.db2.gz BBLHRPNWBMBPQC-MNOVXSKESA-N -1 1 288.355 1.940 20 0 CDADMM CC[C@H]1C[C@H](Nc2ccc(C)c(-c3nn[n-]n3)n2)CCO1 ZINC001590503752 1173440875 /nfs/dbraw/zinc/44/08/75/1173440875.db2.gz BBLHRPNWBMBPQC-MNOVXSKESA-N -1 1 288.355 1.940 20 0 CDADMM CC[C@H]1C[C@H](Nc2cccnc2-c2nnn[n-]2)CCO1 ZINC001590505239 1173441023 /nfs/dbraw/zinc/44/10/23/1173441023.db2.gz OQTDPZGEJFMVNA-ZJUUUORDSA-N -1 1 274.328 1.631 20 0 CDADMM CC[C@H]1C[C@H](Nc2cccnc2-c2nn[n-]n2)CCO1 ZINC001590505239 1173441027 /nfs/dbraw/zinc/44/10/27/1173441027.db2.gz OQTDPZGEJFMVNA-ZJUUUORDSA-N -1 1 274.328 1.631 20 0 CDADMM CC[C@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)[C@H]1C ZINC001590514989 1173443230 /nfs/dbraw/zinc/44/32/30/1173443230.db2.gz SKHDHBNAYSXYJP-UWVGGRQHSA-N -1 1 258.329 1.887 20 0 CDADMM CC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)[C@H]1C ZINC001590514989 1173443233 /nfs/dbraw/zinc/44/32/33/1173443233.db2.gz SKHDHBNAYSXYJP-UWVGGRQHSA-N -1 1 258.329 1.887 20 0 CDADMM CC[C@@H]1CN(c2cccnc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC001590523414 1173451823 /nfs/dbraw/zinc/45/18/23/1173451823.db2.gz XVMOOQQXZANLHA-NXEZZACHSA-N -1 1 274.328 1.265 20 0 CDADMM CC[C@@H]1CN(c2cccnc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC001590523414 1173451824 /nfs/dbraw/zinc/45/18/24/1173451824.db2.gz XVMOOQQXZANLHA-NXEZZACHSA-N -1 1 274.328 1.265 20 0 CDADMM CCN(Cc1ccccn1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590721804 1173498429 /nfs/dbraw/zinc/49/84/29/1173498429.db2.gz NRMQHPCRTPATMR-UHFFFAOYSA-N -1 1 298.306 1.517 20 0 CDADMM CCN(Cc1ccccn1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590721804 1173498436 /nfs/dbraw/zinc/49/84/36/1173498436.db2.gz NRMQHPCRTPATMR-UHFFFAOYSA-N -1 1 298.306 1.517 20 0 CDADMM CCOC(C)(C)C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001590780969 1173508517 /nfs/dbraw/zinc/50/85/17/1173508517.db2.gz VIYXKODZKMEDMT-UHFFFAOYSA-N -1 1 296.352 1.787 20 0 CDADMM CCOC1CC(CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001590787231 1173509775 /nfs/dbraw/zinc/50/97/75/1173509775.db2.gz PDWXFIRCNWDMRO-UHFFFAOYSA-N -1 1 289.343 1.274 20 0 CDADMM CCOC1CC(CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001590787231 1173509782 /nfs/dbraw/zinc/50/97/82/1173509782.db2.gz PDWXFIRCNWDMRO-UHFFFAOYSA-N -1 1 289.343 1.274 20 0 CDADMM CCSCC[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590853553 1173527687 /nfs/dbraw/zinc/52/76/87/1173527687.db2.gz PKZCXENGJFKCTL-QMMMGPOBSA-N -1 1 293.400 1.909 20 0 CDADMM CCSCC[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590853553 1173527690 /nfs/dbraw/zinc/52/76/90/1173527690.db2.gz PKZCXENGJFKCTL-QMMMGPOBSA-N -1 1 293.400 1.909 20 0 CDADMM CCc1nc(Oc2ccc(OC)nc2)cc(-c2nnn[n-]2)n1 ZINC001590924814 1173544009 /nfs/dbraw/zinc/54/40/09/1173544009.db2.gz GDNHLFNGNCWVLN-UHFFFAOYSA-N -1 1 299.294 1.415 20 0 CDADMM CCc1nc(Oc2ccc(OC)nc2)cc(-c2nn[n-]n2)n1 ZINC001590924814 1173544018 /nfs/dbraw/zinc/54/40/18/1173544018.db2.gz GDNHLFNGNCWVLN-UHFFFAOYSA-N -1 1 299.294 1.415 20 0 CDADMM CCn1cc([C@@H](C)Nc2ccc(C)c(-c3nnn[n-]3)n2)cn1 ZINC001590952133 1173548977 /nfs/dbraw/zinc/54/89/77/1173548977.db2.gz ULCVUXLAQIALPF-SNVBAGLBSA-N -1 1 298.354 1.960 20 0 CDADMM CCn1cc([C@@H](C)Nc2ccc(C)c(-c3nn[n-]n3)n2)cn1 ZINC001590952133 1173548986 /nfs/dbraw/zinc/54/89/86/1173548986.db2.gz ULCVUXLAQIALPF-SNVBAGLBSA-N -1 1 298.354 1.960 20 0 CDADMM CN(C(=O)CCc1ccoc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590981914 1173556387 /nfs/dbraw/zinc/55/63/87/1173556387.db2.gz PNSIMJGIXUWBQI-UHFFFAOYSA-N -1 1 298.306 1.450 20 0 CDADMM CN(C(=O)CCc1ccoc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590981914 1173556390 /nfs/dbraw/zinc/55/63/90/1173556390.db2.gz PNSIMJGIXUWBQI-UHFFFAOYSA-N -1 1 298.306 1.450 20 0 CDADMM COC(=O)c1cccc(Oc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001591302916 1173598222 /nfs/dbraw/zinc/59/82/22/1173598222.db2.gz KVJJXCCNZCZCPI-UHFFFAOYSA-N -1 1 298.262 1.236 20 0 CDADMM COC(=O)c1cccc(Oc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001591302916 1173598227 /nfs/dbraw/zinc/59/82/27/1173598227.db2.gz KVJJXCCNZCZCPI-UHFFFAOYSA-N -1 1 298.262 1.236 20 0 CDADMM CO[C@](C)([C@@H](C)Nc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001591318425 1173604542 /nfs/dbraw/zinc/60/45/42/1173604542.db2.gz RHYHUKRIMCMZCX-YMTOWFKASA-N -1 1 288.355 1.299 20 0 CDADMM CO[C@](C)([C@@H](C)Nc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001591318425 1173604546 /nfs/dbraw/zinc/60/45/46/1173604546.db2.gz RHYHUKRIMCMZCX-YMTOWFKASA-N -1 1 288.355 1.299 20 0 CDADMM COCC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001591392027 1173641357 /nfs/dbraw/zinc/64/13/57/1173641357.db2.gz HAPQLAULOZEVON-UHFFFAOYSA-N -1 1 289.343 1.274 20 0 CDADMM COCC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001591392027 1173641359 /nfs/dbraw/zinc/64/13/59/1173641359.db2.gz HAPQLAULOZEVON-UHFFFAOYSA-N -1 1 289.343 1.274 20 0 CDADMM COCCC[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591407841 1173647842 /nfs/dbraw/zinc/64/78/42/1173647842.db2.gz QCHSNOIQCSOZPP-MRVPVSSYSA-N -1 1 280.284 1.432 20 0 CDADMM CSc1ccc(CNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001591714009 1173690181 /nfs/dbraw/zinc/69/01/81/1173690181.db2.gz LGKROOVRRQANJL-UHFFFAOYSA-N -1 1 299.363 1.991 20 0 CDADMM CSc1ccc(CNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001591714009 1173690188 /nfs/dbraw/zinc/69/01/88/1173690188.db2.gz LGKROOVRRQANJL-UHFFFAOYSA-N -1 1 299.363 1.991 20 0 CDADMM C[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C1CCC1 ZINC001591732636 1173694816 /nfs/dbraw/zinc/69/48/16/1173694816.db2.gz IRRRJDURPLRPTE-SECBINFHSA-N -1 1 287.323 1.536 20 0 CDADMM C[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C1CCC1 ZINC001591732636 1173694818 /nfs/dbraw/zinc/69/48/18/1173694818.db2.gz IRRRJDURPLRPTE-SECBINFHSA-N -1 1 287.323 1.536 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC3(CC3)CC2)n1 ZINC001591887521 1173738600 /nfs/dbraw/zinc/73/86/00/1173738600.db2.gz DTLXWUJOUNOOBP-UHFFFAOYSA-N -1 1 285.355 1.736 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC3(CC3)CC2)n1 ZINC001591887521 1173738609 /nfs/dbraw/zinc/73/86/09/1173738609.db2.gz DTLXWUJOUNOOBP-UHFFFAOYSA-N -1 1 285.355 1.736 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)c2ccc[nH]2)n1 ZINC001591890552 1173742844 /nfs/dbraw/zinc/74/28/44/1173742844.db2.gz AYRXGEHPZLDZKC-MRVPVSSYSA-N -1 1 270.300 1.466 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)c2ccc[nH]2)n1 ZINC001591890552 1173742847 /nfs/dbraw/zinc/74/28/47/1173742847.db2.gz AYRXGEHPZLDZKC-MRVPVSSYSA-N -1 1 270.300 1.466 20 0 CDADMM Cc1cc([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)c(C)o1 ZINC001591941334 1173750681 /nfs/dbraw/zinc/75/06/81/1173750681.db2.gz ZYQCMXYREXTPNF-MRVPVSSYSA-N -1 1 285.311 1.462 20 0 CDADMM Cc1cc(N2CCC[C@H]2C[C@@H](C)O)cc(-c2nnn[n-]2)n1 ZINC001592006953 1173771027 /nfs/dbraw/zinc/77/10/27/1173771027.db2.gz QCOYTSKTHNEZPH-MNOVXSKESA-N -1 1 288.355 1.310 20 0 CDADMM Cc1cc(N2CCC[C@H]2C[C@@H](C)O)cc(-c2nn[n-]n2)n1 ZINC001592006953 1173771030 /nfs/dbraw/zinc/77/10/30/1173771030.db2.gz QCOYTSKTHNEZPH-MNOVXSKESA-N -1 1 288.355 1.310 20 0 CDADMM Cc1cc(N[C@H](C)CC[S@@](C)=O)nc(-c2nnn[n-]2)c1 ZINC001592035163 1173778727 /nfs/dbraw/zinc/77/87/27/1173778727.db2.gz YOZPNWNCJKXGNV-GSDQLPOLSA-N -1 1 294.384 1.139 20 0 CDADMM Cc1cc(N[C@H](C)CC[S@@](C)=O)nc(-c2nn[n-]n2)c1 ZINC001592035163 1173778731 /nfs/dbraw/zinc/77/87/31/1173778731.db2.gz YOZPNWNCJKXGNV-GSDQLPOLSA-N -1 1 294.384 1.139 20 0 CDADMM Cc1cc(N[C@H]2COC[C@@H]2C2CC2)nc(-c2nnn[n-]2)c1 ZINC001592038262 1173781075 /nfs/dbraw/zinc/78/10/75/1173781075.db2.gz AVBXQRQOLNANFX-PWSUYJOCSA-N -1 1 286.339 1.407 20 0 CDADMM Cc1cc(N[C@H]2COC[C@@H]2C2CC2)nc(-c2nn[n-]n2)c1 ZINC001592038262 1173781079 /nfs/dbraw/zinc/78/10/79/1173781079.db2.gz AVBXQRQOLNANFX-PWSUYJOCSA-N -1 1 286.339 1.407 20 0 CDADMM Cc1cc(N[C@H]2CSC[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592040511 1173781669 /nfs/dbraw/zinc/78/16/69/1173781669.db2.gz ZYRSGTMVMBLYRF-HQJQHLMTSA-N -1 1 276.369 1.155 20 0 CDADMM Cc1cc(N[C@H]2CSC[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592040511 1173781671 /nfs/dbraw/zinc/78/16/71/1173781671.db2.gz ZYRSGTMVMBLYRF-HQJQHLMTSA-N -1 1 276.369 1.155 20 0 CDADMM Cc1cc(NC[C@]2(C)CCOC2)cc(-c2nnn[n-]2)n1 ZINC001592042801 1173784228 /nfs/dbraw/zinc/78/42/28/1173784228.db2.gz PFBSXTIEDFJYSX-ZDUSSCGKSA-N -1 1 274.328 1.409 20 0 CDADMM Cc1cc(NC[C@]2(C)CCOC2)cc(-c2nn[n-]n2)n1 ZINC001592042801 1173784230 /nfs/dbraw/zinc/78/42/30/1173784230.db2.gz PFBSXTIEDFJYSX-ZDUSSCGKSA-N -1 1 274.328 1.409 20 0 CDADMM Cc1cc(NCCc2cccc(O)c2)cc(-c2nnn[n-]2)n1 ZINC001592051409 1173787453 /nfs/dbraw/zinc/78/74/53/1173787453.db2.gz RWLDKRBTLSIQSF-UHFFFAOYSA-N -1 1 296.334 1.930 20 0 CDADMM Cc1cc(NCCc2cccc(O)c2)cc(-c2nn[n-]n2)n1 ZINC001592051409 1173787458 /nfs/dbraw/zinc/78/74/58/1173787458.db2.gz RWLDKRBTLSIQSF-UHFFFAOYSA-N -1 1 296.334 1.930 20 0 CDADMM Cc1cc(NCc2cccnc2F)cc(-c2nnn[n-]2)n1 ZINC001592052867 1173789987 /nfs/dbraw/zinc/78/99/87/1173789987.db2.gz AGJBJOMYSMFVSF-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1cc(NCc2cccnc2F)cc(-c2nn[n-]n2)n1 ZINC001592052867 1173789992 /nfs/dbraw/zinc/78/99/92/1173789992.db2.gz AGJBJOMYSMFVSF-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1cc(NCc2cccc(O)c2)cc(-c2nnn[n-]2)n1 ZINC001592053170 1173790154 /nfs/dbraw/zinc/79/01/54/1173790154.db2.gz OZAKKZRSILWKGI-UHFFFAOYSA-N -1 1 282.307 1.888 20 0 CDADMM Cc1cc(NCc2cccc(O)c2)cc(-c2nn[n-]n2)n1 ZINC001592053170 1173790163 /nfs/dbraw/zinc/79/01/63/1173790163.db2.gz OZAKKZRSILWKGI-UHFFFAOYSA-N -1 1 282.307 1.888 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@H](CF)C1 ZINC001592110723 1173801185 /nfs/dbraw/zinc/80/11/85/1173801185.db2.gz UKAHSNNSQAEWGX-SECBINFHSA-N -1 1 262.292 1.366 20 0 CDADMM Cc1ccc(NCC[C@H](C)CCO)nc1-c1nnn[n-]1 ZINC001592182914 1173825810 /nfs/dbraw/zinc/82/58/10/1173825810.db2.gz DZMROLNBEVAMBJ-VIFPVBQESA-N -1 1 276.344 1.391 20 0 CDADMM Cc1ccc(NCC[C@H](C)CCO)nc1-c1nn[n-]n1 ZINC001592182914 1173825814 /nfs/dbraw/zinc/82/58/14/1173825814.db2.gz DZMROLNBEVAMBJ-VIFPVBQESA-N -1 1 276.344 1.391 20 0 CDADMM Cc1cccnc1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592262938 1173839363 /nfs/dbraw/zinc/83/93/63/1173839363.db2.gz FFJRPZKIAJXPNL-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1cccnc1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592262938 1173839368 /nfs/dbraw/zinc/83/93/68/1173839368.db2.gz FFJRPZKIAJXPNL-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1cnc(COc2ccc(F)nc2-c2nn[n-]n2)o1 ZINC001592294628 1173848083 /nfs/dbraw/zinc/84/80/83/1173848083.db2.gz GXYXWYVMUIOKBI-UHFFFAOYSA-N -1 1 276.231 1.276 20 0 CDADMM Cc1cnc(CNC(=O)c2ccc(-c3nnn[n-]3)o2)s1 ZINC001592293273 1173849668 /nfs/dbraw/zinc/84/96/68/1173849668.db2.gz IFELQIYSBRRIHP-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1cnc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)s1 ZINC001592293273 1173849680 /nfs/dbraw/zinc/84/96/80/1173849680.db2.gz IFELQIYSBRRIHP-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1conc1COC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001592311902 1173851642 /nfs/dbraw/zinc/85/16/42/1173851642.db2.gz JAPVFVRURNFLOC-UHFFFAOYSA-N -1 1 289.251 1.422 20 0 CDADMM Cc1conc1COC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001592311902 1173851646 /nfs/dbraw/zinc/85/16/46/1173851646.db2.gz JAPVFVRURNFLOC-UHFFFAOYSA-N -1 1 289.251 1.422 20 0 CDADMM Cc1[nH]nc(NC(=O)C2CC3(CCC3)C2)c1-c1nn[n-]n1 ZINC001592327224 1173853570 /nfs/dbraw/zinc/85/35/70/1173853570.db2.gz GJXHNUZUPRSDHD-UHFFFAOYSA-N -1 1 287.327 1.417 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCCC(F)(F)C2)n1 ZINC001592341573 1173862149 /nfs/dbraw/zinc/86/21/49/1173862149.db2.gz WVWCYEVKZVMFHN-UHFFFAOYSA-N -1 1 281.270 1.201 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCCC(F)(F)C2)n1 ZINC001592341573 1173862151 /nfs/dbraw/zinc/86/21/51/1173862151.db2.gz WVWCYEVKZVMFHN-UHFFFAOYSA-N -1 1 281.270 1.201 20 0 CDADMM Cc1ncoc1COC(=O)c1ccsc1-c1nnn[n-]1 ZINC001592423037 1173888341 /nfs/dbraw/zinc/88/83/41/1173888341.db2.gz ODQGKFXWLYUBKL-UHFFFAOYSA-N -1 1 291.292 1.582 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC(=O)CC1CC1 ZINC001592503002 1173907827 /nfs/dbraw/zinc/90/78/27/1173907827.db2.gz ZMOACNSNAXBOOU-UHFFFAOYSA-N -1 1 290.279 1.294 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC(=O)CC1CC1 ZINC001592503002 1173907828 /nfs/dbraw/zinc/90/78/28/1173907828.db2.gz ZMOACNSNAXBOOU-UHFFFAOYSA-N -1 1 290.279 1.294 20 0 CDADMM FC(F)(F)C1=CCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001592613426 1173928910 /nfs/dbraw/zinc/92/89/10/1173928910.db2.gz FOHDLVAOCJLZBJ-UHFFFAOYSA-N -1 1 297.244 1.356 20 0 CDADMM FC(F)(F)C1=CCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001592613426 1173928913 /nfs/dbraw/zinc/92/89/13/1173928913.db2.gz FOHDLVAOCJLZBJ-UHFFFAOYSA-N -1 1 297.244 1.356 20 0 CDADMM FC(F)CCCNc1cccnc1-c1nnn[n-]1 ZINC001592623622 1173933934 /nfs/dbraw/zinc/93/39/34/1173933934.db2.gz HRPDYZZTOJEDNJ-UHFFFAOYSA-N -1 1 254.244 1.719 20 0 CDADMM FC(F)CCCNc1cccnc1-c1nn[n-]n1 ZINC001592623622 1173933938 /nfs/dbraw/zinc/93/39/38/1173933938.db2.gz HRPDYZZTOJEDNJ-UHFFFAOYSA-N -1 1 254.244 1.719 20 0 CDADMM FC1(F)CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001592628419 1173934705 /nfs/dbraw/zinc/93/47/05/1173934705.db2.gz SSCPJYXFTIHKQZ-LURJTMIESA-N -1 1 267.243 1.256 20 0 CDADMM FC1(F)[C@@H]2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@@H]21 ZINC001592628731 1173935433 /nfs/dbraw/zinc/93/54/33/1173935433.db2.gz XZAWUWRTHNABGC-RNJXMRFFSA-N -1 1 293.281 1.502 20 0 CDADMM FC1(F)[C@@H]2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@@H]21 ZINC001592628731 1173935439 /nfs/dbraw/zinc/93/54/39/1173935439.db2.gz XZAWUWRTHNABGC-RNJXMRFFSA-N -1 1 293.281 1.502 20 0 CDADMM FC1(F)C[C@]12CCN(c1ccnc(-c3nnn[n-]3)c1)C2 ZINC001592631356 1173940996 /nfs/dbraw/zinc/94/09/96/1173940996.db2.gz XHMXWHKBHJJVID-NSHDSACASA-N -1 1 278.266 1.497 20 0 CDADMM FC1(F)C[C@]12CCN(c1ccnc(-c3nn[n-]n3)c1)C2 ZINC001592631356 1173941000 /nfs/dbraw/zinc/94/10/00/1173941000.db2.gz XHMXWHKBHJJVID-NSHDSACASA-N -1 1 278.266 1.497 20 0 CDADMM O=C(NC1CCCC1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001592976222 1174009856 /nfs/dbraw/zinc/00/98/56/1174009856.db2.gz CEZVVQSEINWURD-UHFFFAOYSA-N -1 1 292.730 1.588 20 0 CDADMM O=C(N[C@H]1CCCC2(CC2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001592978432 1174010378 /nfs/dbraw/zinc/01/03/78/1174010378.db2.gz PDZLXRQVHHKSLZ-NSHDSACASA-N -1 1 298.350 1.714 20 0 CDADMM O=C(N[C@H]1CCCC2(CC2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001592978432 1174010382 /nfs/dbraw/zinc/01/03/82/1174010382.db2.gz PDZLXRQVHHKSLZ-NSHDSACASA-N -1 1 298.350 1.714 20 0 CDADMM O=C(N[C@@H]1CC=CCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001592972997 1174010772 /nfs/dbraw/zinc/01/07/72/1174010772.db2.gz PTKMWUKIACQITK-SNVBAGLBSA-N -1 1 270.296 1.100 20 0 CDADMM O=C(N[C@@H]1CC=CCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001592972997 1174010776 /nfs/dbraw/zinc/01/07/76/1174010776.db2.gz PTKMWUKIACQITK-SNVBAGLBSA-N -1 1 270.296 1.100 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCCS1 ZINC001593132875 1174023694 /nfs/dbraw/zinc/02/36/94/1174023694.db2.gz BAWGJGCZIBYZGA-VIFPVBQESA-N -1 1 295.393 1.440 20 0 CDADMM O=C(NOc1ccccc1F)c1coc(-c2nnn[n-]2)c1 ZINC001593171156 1174029772 /nfs/dbraw/zinc/02/97/72/1174029772.db2.gz WKZOISYJTNTFRC-UHFFFAOYSA-N -1 1 289.226 1.323 20 0 CDADMM O=C(NOc1ccccc1F)c1coc(-c2nn[n-]n2)c1 ZINC001593171156 1174029776 /nfs/dbraw/zinc/02/97/76/1174029776.db2.gz WKZOISYJTNTFRC-UHFFFAOYSA-N -1 1 289.226 1.323 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@@H]1CCSC1 ZINC001593302224 1174060964 /nfs/dbraw/zinc/06/09/64/1174060964.db2.gz XDSJSTSAMXPGSF-SECBINFHSA-N -1 1 291.336 1.058 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@@H]1CCSC1 ZINC001593302224 1174060969 /nfs/dbraw/zinc/06/09/69/1174060969.db2.gz XDSJSTSAMXPGSF-SECBINFHSA-N -1 1 291.336 1.058 20 0 CDADMM O=C(OCc1ccncc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593302064 1174061038 /nfs/dbraw/zinc/06/10/38/1174061038.db2.gz MWQHVQLYOZHGKZ-UHFFFAOYSA-N -1 1 271.236 1.212 20 0 CDADMM O[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)o2)c2ccccc21 ZINC001593519815 1174099580 /nfs/dbraw/zinc/09/95/80/1174099580.db2.gz RAEVXLLYCOEENL-ZDUSSCGKSA-N -1 1 297.318 1.903 20 0 CDADMM O[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)o2)c2ccccc21 ZINC001593519815 1174099588 /nfs/dbraw/zinc/09/95/88/1174099588.db2.gz RAEVXLLYCOEENL-ZDUSSCGKSA-N -1 1 297.318 1.903 20 0 CDADMM Oc1cccc2c1CC[C@@H]2Nc1cc(-c2nnn[n-]2)ncn1 ZINC001593540069 1174111593 /nfs/dbraw/zinc/11/15/93/1174111593.db2.gz NKLYKZZPRMVVHF-JTQLQIEISA-N -1 1 295.306 1.462 20 0 CDADMM Oc1cccc2c1CC[C@@H]2Nc1cc(-c2nn[n-]n2)ncn1 ZINC001593540069 1174111596 /nfs/dbraw/zinc/11/15/96/1174111596.db2.gz NKLYKZZPRMVVHF-JTQLQIEISA-N -1 1 295.306 1.462 20 0 CDADMM c1c(-c2nnn[n-]2)nc(C2CC2)nc1N1CCSCC1 ZINC001593543054 1174111683 /nfs/dbraw/zinc/11/16/83/1174111683.db2.gz ADJRTZUWRBBTBG-UHFFFAOYSA-N -1 1 289.368 1.087 20 0 CDADMM c1c(-c2nn[n-]n2)nc(C2CC2)nc1N1CCSCC1 ZINC001593543054 1174111687 /nfs/dbraw/zinc/11/16/87/1174111687.db2.gz ADJRTZUWRBBTBG-UHFFFAOYSA-N -1 1 289.368 1.087 20 0 CDADMM Oc1ccc(Sc2ncncc2-c2nnn[n-]2)cc1 ZINC001593539742 1174111831 /nfs/dbraw/zinc/11/18/31/1174111831.db2.gz CTYINGFCELGXDT-UHFFFAOYSA-N -1 1 272.293 1.514 20 0 CDADMM Oc1ccc(Sc2ncncc2-c2nn[n-]n2)cc1 ZINC001593539742 1174111836 /nfs/dbraw/zinc/11/18/36/1174111836.db2.gz CTYINGFCELGXDT-UHFFFAOYSA-N -1 1 272.293 1.514 20 0 CDADMM c1cc(-c2nc(C3CSC3)no2)sc1-c1nnn[n-]1 ZINC001593544766 1174114607 /nfs/dbraw/zinc/11/46/07/1174114607.db2.gz LCOZNEGWIXMDGR-UHFFFAOYSA-N -1 1 292.349 1.809 20 0 CDADMM c1cc(-c2nc(C3CSC3)no2)sc1-c1nn[n-]n1 ZINC001593544766 1174114613 /nfs/dbraw/zinc/11/46/13/1174114613.db2.gz LCOZNEGWIXMDGR-UHFFFAOYSA-N -1 1 292.349 1.809 20 0 CDADMM c1coc(-c2noc(-c3cccc(-c4nnn[n-]4)n3)n2)c1 ZINC001593550550 1174120951 /nfs/dbraw/zinc/12/09/51/1174120951.db2.gz YJLURGJDXHTGQV-UHFFFAOYSA-N -1 1 281.235 1.572 20 0 CDADMM c1coc(-c2noc(-c3cccc(-c4nn[n-]n4)n3)n2)c1 ZINC001593550550 1174120955 /nfs/dbraw/zinc/12/09/55/1174120955.db2.gz YJLURGJDXHTGQV-UHFFFAOYSA-N -1 1 281.235 1.572 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CO[C@H]1CCCc2c[nH]nc21 ZINC001593550821 1174121634 /nfs/dbraw/zinc/12/16/34/1174121634.db2.gz CDZMXISFJRXQRM-JTQLQIEISA-N -1 1 286.295 1.777 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1CO[C@H]1CCCc2c[nH]nc21 ZINC001593550821 1174121642 /nfs/dbraw/zinc/12/16/42/1174121642.db2.gz CDZMXISFJRXQRM-JTQLQIEISA-N -1 1 286.295 1.777 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(-c2nc([C@H]3CCCOC3)no2)c1 ZINC001593549703 1174122235 /nfs/dbraw/zinc/12/22/35/1174122235.db2.gz BKQPQTJASIGYHX-QMMMGPOBSA-N -1 1 299.294 1.206 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(-c2nc([C@H]3CCCOC3)no2)c1 ZINC001593549703 1174122239 /nfs/dbraw/zinc/12/22/39/1174122239.db2.gz BKQPQTJASIGYHX-QMMMGPOBSA-N -1 1 299.294 1.206 20 0 CDADMM c1cc(N2C[C@H](C3CC3)C[C@@H]2C2CC2)nc(-c2nn[n-]n2)n1 ZINC001593559021 1174132793 /nfs/dbraw/zinc/13/27/93/1174132793.db2.gz SETQDBDWNGZFBP-VXGBXAGGSA-N -1 1 297.366 1.672 20 0 CDADMM c1cc(NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)nc(-c2nnn[n-]2)c1 ZINC001593558430 1174133921 /nfs/dbraw/zinc/13/39/21/1174133921.db2.gz MUHVNMCWCKQOSD-NHCYSSNCSA-N -1 1 286.339 1.631 20 0 CDADMM c1cc(NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)nc(-c2nn[n-]n2)c1 ZINC001593558430 1174133926 /nfs/dbraw/zinc/13/39/26/1174133926.db2.gz MUHVNMCWCKQOSD-NHCYSSNCSA-N -1 1 286.339 1.631 20 0 CDADMM c1ccc(NCCNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001593577120 1174144753 /nfs/dbraw/zinc/14/47/53/1174144753.db2.gz VJCDTERGPRVZAK-UHFFFAOYSA-N -1 1 282.311 1.181 20 0 CDADMM c1ccc(NCCNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001593577120 1174144755 /nfs/dbraw/zinc/14/47/55/1174144755.db2.gz VJCDTERGPRVZAK-UHFFFAOYSA-N -1 1 282.311 1.181 20 0 CDADMM c1cn(Cc2nsc3ccccc23)c(-c2nnn[n-]2)n1 ZINC001593577923 1174144758 /nfs/dbraw/zinc/14/47/58/1174144758.db2.gz NXEQBNXYUYFMMB-UHFFFAOYSA-N -1 1 283.320 1.721 20 0 CDADMM c1cn(Cc2nsc3ccccc23)c(-c2nn[n-]n2)n1 ZINC001593577923 1174144761 /nfs/dbraw/zinc/14/47/61/1174144761.db2.gz NXEQBNXYUYFMMB-UHFFFAOYSA-N -1 1 283.320 1.721 20 0 CDADMM c1ccc2c(c1)C[C@@H]1[C@@H](Nc3ncncc3-c3nn[n-]n3)[C@H]21 ZINC001593579945 1174147830 /nfs/dbraw/zinc/14/78/30/1174147830.db2.gz PZJFLEKAPXSIKG-CYZMBNFOSA-N -1 1 291.318 1.407 20 0 CDADMM Cc1nnn(NC(=O)c2ccc(F)c([O-])c2)c1C ZINC001593716198 1174169332 /nfs/dbraw/zinc/16/93/32/1174169332.db2.gz UXSXGIWQKLNIMM-UHFFFAOYSA-N -1 1 250.233 1.124 20 0 CDADMM Cc1cc(C(=O)[O-])ccc1NC(=O)c1cnncc1O ZINC001600123498 1174367047 /nfs/dbraw/zinc/36/70/47/1174367047.db2.gz LTMVHEZYZCADBB-UHFFFAOYSA-N -1 1 273.248 1.441 20 0 CDADMM Cc1cc([C@@H](C)N2CCC[C@@](O)(CO)C2)oc1C(=O)[O-] ZINC001600152294 1174382200 /nfs/dbraw/zinc/38/22/00/1174382200.db2.gz VJFBOLYYXJMCIS-YGRLFVJLSA-N -1 1 283.324 1.166 20 0 CDADMM Cc1cccc(C)c1NC(=O)CN1CC2CC1(C(=O)[O-])C2 ZINC001600522589 1174495697 /nfs/dbraw/zinc/49/56/97/1174495697.db2.gz ZZGUBXHMZUWYBN-UHFFFAOYSA-N -1 1 288.347 1.791 20 0 CDADMM Cc1ccnn1CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001600606004 1174526306 /nfs/dbraw/zinc/52/63/06/1174526306.db2.gz GTPHNTABVJYUHY-UHFFFAOYSA-N -1 1 299.290 1.405 20 0 CDADMM Cc1nc(CN2CC[C@H](c3ncc(C(=O)[O-])s3)C2)n[nH]1 ZINC001600671716 1174558766 /nfs/dbraw/zinc/55/87/66/1174558766.db2.gz WLHVSTGDJRHDFX-QMMMGPOBSA-N -1 1 293.352 1.257 20 0 CDADMM Cc1n[nH]nc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001600675534 1174559914 /nfs/dbraw/zinc/55/99/14/1174559914.db2.gz DRSUSDJFTAXXSS-JTQLQIEISA-N -1 1 292.270 1.198 20 0 CDADMM Cc1oc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1C(=O)[O-] ZINC001600845342 1174639695 /nfs/dbraw/zinc/63/96/95/1174639695.db2.gz LFTKTSYHAKVUGI-NDMJEZRESA-N -1 1 292.335 1.372 20 0 CDADMM Cn1cc(Cl)c(CN[C@@H]2CC=C(C(=O)[O-])C2)n1 ZINC001600956289 1174679864 /nfs/dbraw/zinc/67/98/64/1174679864.db2.gz BYGGFJIQVNBNPH-MRVPVSSYSA-N -1 1 255.705 1.337 20 0 CDADMM Cc1cc(CNc2ccnc(-c3nnn[n-]3)c2)on1 ZINC000103640504 1174684459 /nfs/dbraw/zinc/68/44/59/1174684459.db2.gz CEWMBVSZIIEMCA-UHFFFAOYSA-N -1 1 257.257 1.170 20 0 CDADMM O=C(C=Cc1cc(C(=O)[O-])co1)Nc1cccc2[nH]nnc21 ZINC001601234970 1174803310 /nfs/dbraw/zinc/80/33/10/1174803310.db2.gz HOTVRXQMHNINSO-SNAWJCMRSA-N -1 1 298.258 1.901 20 0 CDADMM O=C([O-])[C@H](C[C@H]1CCCO1)NCC(=O)Nc1ccccc1 ZINC001601324569 1174833404 /nfs/dbraw/zinc/83/34/04/1174833404.db2.gz BQJHGVWOVNCFTP-OLZOCXBDSA-N -1 1 292.335 1.237 20 0 CDADMM O=C([O-])[C@@H](CNC(=O)c1ncn[nH]1)C1CCCCCC1 ZINC001601451083 1174873076 /nfs/dbraw/zinc/87/30/76/1174873076.db2.gz BWQVRVBPXYJFHA-JTQLQIEISA-N -1 1 280.328 1.206 20 0 CDADMM O=C([O-])[C@@H](CNC(=O)c1nc[nH]n1)C1CCCCCC1 ZINC001601451083 1174873082 /nfs/dbraw/zinc/87/30/82/1174873082.db2.gz BWQVRVBPXYJFHA-JTQLQIEISA-N -1 1 280.328 1.206 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2cccc3[nH]nnc32)ccn1 ZINC001601620611 1174914445 /nfs/dbraw/zinc/91/44/45/1174914445.db2.gz RFNOBZJMQFKLRN-UHFFFAOYSA-N -1 1 283.247 1.303 20 0 CDADMM O=C([O-])[C@]1(F)CCN(c2nc(Cl)nc3[nH]cnc32)C1 ZINC001601720225 1174967603 /nfs/dbraw/zinc/96/76/03/1174967603.db2.gz OXFWNMTXHRBXHQ-JTQLQIEISA-N -1 1 285.666 1.009 20 0 CDADMM O=C([O-])C1=CC[C@H](Nc2nc(Cl)nc3[nH]cnc32)C1 ZINC001601740403 1174978075 /nfs/dbraw/zinc/97/80/75/1174978075.db2.gz QTOTXYRVBSBZJJ-LURJTMIESA-N -1 1 279.687 1.592 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)CN(c2cc[nH+]c3c([O-])cccc23)C1 ZINC001601769946 1174996875 /nfs/dbraw/zinc/99/68/75/1174996875.db2.gz RFSQVKLOZVYHGZ-NXEZZACHSA-N -1 1 288.303 1.212 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CN(CC2CC3(CCC3)C2)C1 ZINC001601781329 1175003883 /nfs/dbraw/zinc/00/38/83/1175003883.db2.gz RLRJZWIBEXPDPT-QWHCGFSZSA-N -1 1 292.379 1.088 20 0 CDADMM O=C([O-])CC1CC(NCc2nnc3n2CCCCC3)C1 ZINC001601946619 1175080276 /nfs/dbraw/zinc/08/02/76/1175080276.db2.gz LBFUTHSULMRBGL-UHFFFAOYSA-N -1 1 278.356 1.347 20 0 CDADMM O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC001601976830 1175094801 /nfs/dbraw/zinc/09/48/01/1175094801.db2.gz ZBLTVUGUELGSFJ-NSHDSACASA-N -1 1 292.335 1.857 20 0 CDADMM O=C([O-])CN(Cc1c(F)cncc1F)C1CCOCC1 ZINC001602057448 1175122737 /nfs/dbraw/zinc/12/27/37/1175122737.db2.gz CRYCEUKHAPSMCW-UHFFFAOYSA-N -1 1 286.278 1.425 20 0 CDADMM O=C([O-])c1ccc(CN2CCC(c3ccncn3)CC2)nc1 ZINC001602338352 1175211326 /nfs/dbraw/zinc/21/13/26/1175211326.db2.gz RYPPUUHJNKVRLV-UHFFFAOYSA-N -1 1 298.346 1.949 20 0 CDADMM C[C@]1(CO)CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000123358636 1175250476 /nfs/dbraw/zinc/25/04/76/1175250476.db2.gz KQWGLUVJQGIBNE-AWEZNQCLSA-N -1 1 267.300 1.766 20 0 CDADMM O=C([O-])c1n[nH]c2c1CN(C[C@H](O)c1ccccc1)CC2 ZINC001602567603 1175299771 /nfs/dbraw/zinc/29/97/71/1175299771.db2.gz TYMAICYSDKWVOQ-ZDUSSCGKSA-N -1 1 287.319 1.200 20 0 CDADMM O=C([O-])c1occc1CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001602589679 1175310512 /nfs/dbraw/zinc/31/05/12/1175310512.db2.gz IJYSWYUNXXJFJK-VIFPVBQESA-N -1 1 289.291 1.437 20 0 CDADMM C=C/C=C/CCOc1ccc(F)nc1-c1nnn[n-]1 ZINC001602807066 1175409637 /nfs/dbraw/zinc/40/96/37/1175409637.db2.gz GDHFJMJHMJYHBX-ONEGZZNKSA-N -1 1 261.260 1.912 20 0 CDADMM CC(=O)[C@H](C)CCOC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001602912943 1175450947 /nfs/dbraw/zinc/45/09/47/1175450947.db2.gz ZAKPGCTYTFOKEE-SSDOTTSWSA-N -1 1 292.295 1.540 20 0 CDADMM CC(=O)[C@H](C)CCOC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001602912943 1175450952 /nfs/dbraw/zinc/45/09/52/1175450952.db2.gz ZAKPGCTYTFOKEE-SSDOTTSWSA-N -1 1 292.295 1.540 20 0 CDADMM CC(C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CCC1 ZINC001603151655 1175502943 /nfs/dbraw/zinc/50/29/43/1175502943.db2.gz RQMVKMGNLMNYFS-UHFFFAOYSA-N -1 1 273.344 1.895 20 0 CDADMM CC(C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CCC1 ZINC001603151655 1175502955 /nfs/dbraw/zinc/50/29/55/1175502955.db2.gz RQMVKMGNLMNYFS-UHFFFAOYSA-N -1 1 273.344 1.895 20 0 CDADMM CC(C)(C)N1CC[C@@H]1C(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC001603345006 1175544309 /nfs/dbraw/zinc/54/43/09/1175544309.db2.gz ZAYOAHLDSODNQO-HTQZYQBOSA-N -1 1 296.289 1.381 20 0 CDADMM CC(C)(C)N1CC[C@@H]1C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC001603344125 1175544481 /nfs/dbraw/zinc/54/44/81/1175544481.db2.gz FRJVWKSHGWEOJQ-WDEREUQCSA-N -1 1 268.357 1.229 20 0 CDADMM C[C@@H](CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)C(F)(F)F ZINC001603449440 1175555125 /nfs/dbraw/zinc/55/51/25/1175555125.db2.gz RIFSYTKEAAUCPQ-BYPYZUCNSA-N -1 1 289.221 1.117 20 0 CDADMM C[C@@H](CC(F)(F)F)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001603458273 1175556651 /nfs/dbraw/zinc/55/66/51/1175556651.db2.gz NWEUHBKMRUBCOZ-BYPYZUCNSA-N -1 1 289.221 1.117 20 0 CDADMM CC(C)(C)[S@@](=O)CCNCc1cc(C(=O)[O-])no1 ZINC001603522340 1175560612 /nfs/dbraw/zinc/56/06/12/1175560612.db2.gz USKGQLBRQMJKOL-SFHVURJKSA-N -1 1 274.342 1.010 20 0 CDADMM CC(C)(C)c1nc(COC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)n[nH]1 ZINC001603551437 1175564333 /nfs/dbraw/zinc/56/43/33/1175564333.db2.gz NYHNAILLMBTPTN-BDAKNGLRSA-N -1 1 295.339 1.646 20 0 CDADMM CC(C)(C)c1nnc(COC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[nH]1 ZINC001603551437 1175564342 /nfs/dbraw/zinc/56/43/42/1175564342.db2.gz NYHNAILLMBTPTN-BDAKNGLRSA-N -1 1 295.339 1.646 20 0 CDADMM C[C@H](OC(=O)c1csc(-c2nnn[n-]2)c1)C(F)F ZINC001603705174 1175604567 /nfs/dbraw/zinc/60/45/67/1175604567.db2.gz WLVKRWANMMCXBE-BYPYZUCNSA-N -1 1 274.252 1.739 20 0 CDADMM C[C@H](OC(=O)c1csc(-c2nn[n-]n2)c1)C(F)F ZINC001603705174 1175604570 /nfs/dbraw/zinc/60/45/70/1175604570.db2.gz WLVKRWANMMCXBE-BYPYZUCNSA-N -1 1 274.252 1.739 20 0 CDADMM C[C@@]1(C(=O)n2ncc(-c3nn[n-]n3)c2N)CC=CCC1 ZINC001603754650 1175618277 /nfs/dbraw/zinc/61/82/77/1175618277.db2.gz DQTJTTWNJTVVQU-GFCCVEGCSA-N -1 1 273.300 1.032 20 0 CDADMM CC1(C)C[C@H](Nc2nccnc2-c2nnn[n-]2)CCS1 ZINC001603763990 1175622118 /nfs/dbraw/zinc/62/21/18/1175622118.db2.gz CAAWLWYZNCVWFP-MRVPVSSYSA-N -1 1 291.384 1.743 20 0 CDADMM CC1(C)C[C@H](Nc2nccnc2-c2nn[n-]n2)CCS1 ZINC001603763990 1175622123 /nfs/dbraw/zinc/62/21/23/1175622123.db2.gz CAAWLWYZNCVWFP-MRVPVSSYSA-N -1 1 291.384 1.743 20 0 CDADMM CC1(C)CC[C@@H](C(=O)Nc2ncc(-c3nnn[n-]3)s2)O1 ZINC001603770483 1175625520 /nfs/dbraw/zinc/62/55/20/1175625520.db2.gz IVDKXMQKVGABQR-LURJTMIESA-N -1 1 294.340 1.219 20 0 CDADMM 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CCc1cc(C(=O)N2[C@@H](C)CC[C@H]2C(=O)[O-])n[nH]1 ZINC000653316633 424564752 /nfs/dbraw/zinc/56/47/52/424564752.db2.gz SVAVTZPJLRRTTK-XVKPBYJWSA-N -1 1 251.286 1.050 20 0 CDADMM C[C@@]1(CNC(=O)c2ccsc2-c2nnn[n-]2)CCCO1 ZINC001590132894 1173268130 /nfs/dbraw/zinc/26/81/30/1173268130.db2.gz WMTJRXXMASPWMI-LBPRGKRZSA-N -1 1 293.352 1.227 20 0 CDADMM C[C@@]1(CNC(=O)c2ccsc2-c2nn[n-]n2)CCCO1 ZINC001590132894 1173268136 /nfs/dbraw/zinc/26/81/36/1173268136.db2.gz WMTJRXXMASPWMI-LBPRGKRZSA-N -1 1 293.352 1.227 20 0 CDADMM CCC[C@H](NC(=O)[C@H]1CCCC[C@@H]1C)c1nn[n-]n1 ZINC000424707532 270386902 /nfs/dbraw/zinc/38/69/02/270386902.db2.gz LKPUFVREVVDDMI-DCAQKATOSA-N -1 1 265.361 1.983 20 0 CDADMM CC[C@H](C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)OC ZINC001590399300 1173389729 /nfs/dbraw/zinc/38/97/29/1173389729.db2.gz IAOYERUBZVNGID-WPRPVWTQSA-N -1 1 277.332 1.130 20 0 CDADMM CC[C@H](C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)OC ZINC001590399300 1173389736 /nfs/dbraw/zinc/38/97/36/1173389736.db2.gz 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CCC[C@@H](CC)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590553674 1173461352 /nfs/dbraw/zinc/46/13/52/1173461352.db2.gz INJMIGZRHXRROJ-MRVPVSSYSA-N -1 1 277.332 1.365 20 0 CDADMM CCC[C@@H](CC)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590553674 1173461354 /nfs/dbraw/zinc/46/13/54/1173461354.db2.gz INJMIGZRHXRROJ-MRVPVSSYSA-N -1 1 277.332 1.365 20 0 CDADMM C[C@@H]1CN(Cc2nnc(C(C)(C)C)[nH]2)C[C@]1(C)C(=O)[O-] ZINC000564464867 293361842 /nfs/dbraw/zinc/36/18/42/293361842.db2.gz ZSWUAENAHYZFCY-OTYXRUKQSA-N -1 1 280.372 1.645 20 0 CDADMM CC(C)[C@H](C(=O)[O-])C(=O)NC[C@H](c1cccs1)N(C)C ZINC000565044909 293506439 /nfs/dbraw/zinc/50/64/39/293506439.db2.gz YXBRFJRJCIKHDH-PWSUYJOCSA-N -1 1 298.408 1.824 20 0 CDADMM Cc1cnc(SCCOC[C@@H]2CCCO2)[n-]c1=O ZINC000568416379 294036213 /nfs/dbraw/zinc/03/62/13/294036213.db2.gz WBGDCZGEOOQIFR-JTQLQIEISA-N -1 1 270.354 1.778 20 0 CDADMM CCn1cncc1CN=c1[n-]ncn1Cc1ccccc1 ZINC000569085179 294152329 /nfs/dbraw/zinc/15/23/29/294152329.db2.gz VRTYSOLUWRGTFO-UHFFFAOYSA-N -1 1 282.351 1.577 20 0 CDADMM CCOC(=O)c1nc(C)[nH]c1NC(=O)[C@H]1CCCOCC1 ZINC000570750056 294301197 /nfs/dbraw/zinc/30/11/97/294301197.db2.gz LZUXISRDKXZTCD-JTQLQIEISA-N -1 1 295.339 1.650 20 0 CDADMM CCOC(=O)NOCc1ccc(-c2nn[n-]n2)s1 ZINC001590767380 1173507276 /nfs/dbraw/zinc/50/72/76/1173507276.db2.gz PYRLBFYHILJLMO-UHFFFAOYSA-N -1 1 269.286 1.106 20 0 CDADMM CCc1ncc(CNc2n[nH]cc2-c2nnn[n-]2)s1 ZINC001590925350 1173545085 /nfs/dbraw/zinc/54/50/85/1173545085.db2.gz OYTBTGYOLJAZIR-UHFFFAOYSA-N -1 1 276.329 1.221 20 0 CDADMM CCc1ncc(CNc2n[nH]cc2-c2nn[n-]n2)s1 ZINC001590925350 1173545091 /nfs/dbraw/zinc/54/50/91/1173545091.db2.gz OYTBTGYOLJAZIR-UHFFFAOYSA-N -1 1 276.329 1.221 20 0 CDADMM Cc1cccc2c1CC(C)(C)N(Cc1nc(=O)n(C)[n-]1)C2 ZINC000336269470 302055286 /nfs/dbraw/zinc/05/52/86/302055286.db2.gz TXPVZHHXTONVAA-UHFFFAOYSA-N -1 1 286.379 1.754 20 0 CDADMM CO[C@@H](C)CN(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001591323171 1173609007 /nfs/dbraw/zinc/60/90/07/1173609007.db2.gz PWHWVNXCZWSOMA-ZETCQYMHSA-N -1 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Cc1nsc(N2CCC[C@@](C)(CO)C2)c1-c1nn[n-]n1 ZINC001592475265 1173898896 /nfs/dbraw/zinc/89/88/96/1173898896.db2.gz VVTQAAKIYKLDBF-GFCCVEGCSA-N -1 1 294.384 1.230 20 0 CDADMM C[C@@](O)(CN1CCc2c(Cl)cccc2C1)C(=O)[O-] ZINC000583877408 325259645 /nfs/dbraw/zinc/25/96/45/325259645.db2.gz ITPUHOPZAKFRAP-CYBMUJFWSA-N -1 1 269.728 1.534 20 0 CDADMM CCCc1nc(C)c(C(=O)Nc2nc[n-]c2C(=O)OC)o1 ZINC000584002345 325284298 /nfs/dbraw/zinc/28/42/98/325284298.db2.gz VWXMOLAZJLQMPU-UHFFFAOYSA-N -1 1 292.295 1.698 20 0 CDADMM Cc1ccccc1[C@@H](N)C(=O)N(C)CCCC(=O)[O-] ZINC000584176685 327058831 /nfs/dbraw/zinc/05/88/31/327058831.db2.gz RZAAYAIBZISRAG-CYBMUJFWSA-N -1 1 264.325 1.318 20 0 CDADMM C[C@@H]1CN(C(=O)c2cncc([O-])c2)C[C@@H](C(F)(F)F)O1 ZINC000670801811 482427696 /nfs/dbraw/zinc/42/76/96/482427696.db2.gz YEICILCIYBSVPW-XCBNKYQSSA-N -1 1 290.241 1.579 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC[C@H](CO)[C@H]1C ZINC000385751101 1160503358 /nfs/dbraw/zinc/50/33/58/1160503358.db2.gz CYOVTYGSFOABIA-GHMZBOCLSA-N 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576053170 /nfs/dbraw/zinc/05/31/70/576053170.db2.gz GFOWLVNNSGUVSM-UHFFFAOYSA-N -1 1 282.344 1.157 20 0 CDADMM Cc1nnc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)[nH]1 ZINC000738360864 576062329 /nfs/dbraw/zinc/06/23/29/576062329.db2.gz NNXDNXNTNAEGDZ-UHFFFAOYSA-N -1 1 263.257 1.009 20 0 CDADMM Cc1n[nH]c(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)n1 ZINC000738360864 576062332 /nfs/dbraw/zinc/06/23/32/576062332.db2.gz NNXDNXNTNAEGDZ-UHFFFAOYSA-N -1 1 263.257 1.009 20 0 CDADMM O[C@H]1CCC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000738388815 576066823 /nfs/dbraw/zinc/06/68/23/576066823.db2.gz GQVVCDABLXTIGN-SFYZADRCSA-N -1 1 294.746 1.631 20 0 CDADMM O[C@H]1CCC[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000738388815 576066825 /nfs/dbraw/zinc/06/68/25/576066825.db2.gz GQVVCDABLXTIGN-SFYZADRCSA-N -1 1 294.746 1.631 20 0 CDADMM Cc1ccc(O)c(CNCc2ccc(C(=O)[O-])o2)n1 ZINC000738636590 576098171 /nfs/dbraw/zinc/09/81/71/576098171.db2.gz RQRZMAMBELYZAN-UHFFFAOYSA-N -1 1 262.265 1.677 20 0 CDADMM CC(C)(C)N1C[C@@H](C(=O)[N-]OCC(F)(F)F)CC1=O ZINC000766763607 576132908 /nfs/dbraw/zinc/13/29/08/576132908.db2.gz UITAUWXKGOELIR-ZETCQYMHSA-N -1 1 282.262 1.244 20 0 CDADMM Cc1oc(C(=O)[O-])cc1CN1CCC[C@@H](n2cncn2)C1 ZINC000738962501 576142633 /nfs/dbraw/zinc/14/26/33/576142633.db2.gz AUJMHCUUVQNXMB-GFCCVEGCSA-N -1 1 290.323 1.715 20 0 CDADMM CCCc1cc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)n[nH]1 ZINC000767217860 576169390 /nfs/dbraw/zinc/16/93/90/576169390.db2.gz GESBWHVKRWKVBV-GFCCVEGCSA-N -1 1 269.276 1.001 20 0 CDADMM C[C@H](C[S@](C)=O)N(C)C(=O)c1c([O-])cccc1Cl ZINC000768443740 576283606 /nfs/dbraw/zinc/28/36/06/576283606.db2.gz BHNVDPCZAZQNIS-CVJBHZAOSA-N -1 1 289.784 1.885 20 0 CDADMM Cc1nsc([N-]C(=O)c2cnn(-c3ccccc3)n2)n1 ZINC000742829876 576619022 /nfs/dbraw/zinc/61/90/22/576619022.db2.gz CPCVTPJJPGMDRA-UHFFFAOYSA-N -1 1 286.320 1.680 20 0 CDADMM CC(=O)c1ccc([O-])c(CCOC(=O)C(C)(C)O)c1 ZINC000744912601 576705037 /nfs/dbraw/zinc/70/50/37/576705037.db2.gz YYKSVMMYJRTOLK-UHFFFAOYSA-N -1 1 266.293 1.451 20 0 CDADMM COC1(CNC(=O)c2c([O-])cccc2Cl)CCOCC1 ZINC000747618542 576876986 /nfs/dbraw/zinc/87/69/86/576876986.db2.gz ZISWAGKOISMHGH-UHFFFAOYSA-N -1 1 299.754 1.971 20 0 CDADMM O=C(N[C@@H]1C=C[C@H](CO)C1)c1c([O-])cccc1Cl ZINC000748363196 576908808 /nfs/dbraw/zinc/90/88/08/576908808.db2.gz JWGRSKYEERSOSE-DTWKUNHWSA-N -1 1 267.712 1.712 20 0 CDADMM CCc1cc(CNC(=O)c2cc(C(=O)[O-])co2)n[nH]1 ZINC000758844618 577136164 /nfs/dbraw/zinc/13/61/64/577136164.db2.gz HSHNWGJANLCACK-UHFFFAOYSA-N -1 1 263.253 1.193 20 0 CDADMM CCOC(=O)[C@@H]([N-]C(=O)C(F)(F)C(F)F)C(C)(C)C ZINC000753263359 577158418 /nfs/dbraw/zinc/15/84/18/577158418.db2.gz VTUSRKLNVXGYPO-ZCFIWIBFSA-N -1 1 287.253 1.981 20 0 CDADMM O=C([O-])CCCONC(=O)[C@H]1CC(=O)c2ccccc21 ZINC001601994694 1175103541 /nfs/dbraw/zinc/10/35/41/1175103541.db2.gz JHGOIHSTHVGTJB-NSHDSACASA-N -1 1 277.276 1.269 20 0 CDADMM O[C@@H](CNc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000095168059 599392346 /nfs/dbraw/zinc/39/23/46/599392346.db2.gz 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C[C@@](O)(CN1CCN(c2ccccc2Cl)CC1)C(=O)[O-] ZINC000080209841 600760764 /nfs/dbraw/zinc/76/07/64/600760764.db2.gz NNHKJMARJHBDQV-CQSZACIVSA-N -1 1 298.770 1.298 20 0 CDADMM CCOC(=O)N1CCCN(C/C=C(/C)C(=O)[O-])CC1 ZINC000829861125 601160398 /nfs/dbraw/zinc/16/03/98/601160398.db2.gz NLUHYSNNVYYNSG-WZUFQYTHSA-N -1 1 270.329 1.182 20 0 CDADMM CCCN(Cc1ccnc(-c2nnn[n-]2)c1)CC(F)F ZINC000825322802 607491750 /nfs/dbraw/zinc/49/17/50/607491750.db2.gz JHHIJMLFQBJWAB-UHFFFAOYSA-N -1 1 282.298 1.739 20 0 CDADMM CCCN(Cc1ccnc(-c2nn[n-]n2)c1)CC(F)F ZINC000825322802 607491751 /nfs/dbraw/zinc/49/17/51/607491751.db2.gz JHHIJMLFQBJWAB-UHFFFAOYSA-N -1 1 282.298 1.739 20 0 CDADMM CC1(C)C(=O)N(CN2CCC[C@H](C(=O)[O-])C2)C1(C)C ZINC000828042068 601227956 /nfs/dbraw/zinc/22/79/56/601227956.db2.gz NHAZDZQDYVRWML-JTQLQIEISA-N -1 1 268.357 1.388 20 0 CDADMM CN(Cc1nnc[nH]1)Cc1ccc(F)cc1C(=O)[O-] ZINC000830882709 601320206 /nfs/dbraw/zinc/32/02/06/601320206.db2.gz CMQNNLSDCANLJS-UHFFFAOYSA-N -1 1 264.260 1.274 20 0 CDADMM CCCNC(=O)CN1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000829514118 601430289 /nfs/dbraw/zinc/43/02/89/601430289.db2.gz VXARUOMCOCDAPO-ZIAGYGMSSA-N -1 1 296.411 1.868 20 0 CDADMM CCN(C)C(=O)CN1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000829609048 601433604 /nfs/dbraw/zinc/43/36/04/601433604.db2.gz WQUFWVYHOZGNAX-ZIAGYGMSSA-N -1 1 296.411 1.820 20 0 CDADMM C[C@H]1CN(CC(=O)Nc2ccc(F)c(F)c2)C[C@H]1C(=O)[O-] ZINC000251862040 601499762 /nfs/dbraw/zinc/49/97/62/601499762.db2.gz SOXHEJXMYRHWOU-WCBMZHEXSA-N -1 1 298.289 1.556 20 0 CDADMM NC(=O)CN(Cc1ccc(C(=O)[O-])c(F)c1)C1CCCC1 ZINC000236242638 601619725 /nfs/dbraw/zinc/61/97/25/601619725.db2.gz WEPJFRVZYWWOPR-UHFFFAOYSA-N -1 1 294.326 1.754 20 0 CDADMM CC(C)C[C@H]1CCCCN1Cn1cc(C(=O)[O-])nn1 ZINC000826832925 601848879 /nfs/dbraw/zinc/84/88/79/601848879.db2.gz YUNXHIZLNOAENJ-LLVKDONJSA-N -1 1 266.345 1.834 20 0 CDADMM C[C@@](NC(=O)[C@@H]1CCCc2[nH]ncc21)(C(=O)[O-])C1CC1 ZINC000827622463 602039172 /nfs/dbraw/zinc/03/91/72/602039172.db2.gz MTCUFSPBYDYNMG-OTYXRUKQSA-N -1 1 277.324 1.199 20 0 CDADMM C[C@H](CC(=O)[O-])C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000827279687 602090314 /nfs/dbraw/zinc/09/03/14/602090314.db2.gz GMQRUXQRBUPFKJ-MWLCHTKSSA-N -1 1 284.381 1.578 20 0 CDADMM CCCN(CCC)C(=O)CN[C@H](C(=O)[O-])C(C)(C)C ZINC000829492302 602224887 /nfs/dbraw/zinc/22/48/87/602224887.db2.gz ZNCBJQRWOVXNRF-GFCCVEGCSA-N -1 1 272.389 1.724 20 0 CDADMM CC[C@](C)(CC(=O)[O-])NC(=O)CN1CCC(C)CC1 ZINC000828628666 602391753 /nfs/dbraw/zinc/39/17/53/602391753.db2.gz PFCITCRMMBBPSE-CQSZACIVSA-N -1 1 270.373 1.478 20 0 CDADMM C/C(=C\CN1CCC([C@H](O)C(F)(F)F)CC1)C(=O)[O-] ZINC000825733773 604369983 /nfs/dbraw/zinc/36/99/83/604369983.db2.gz FDBFNIQIEIXTMQ-ZFNXJMALSA-N -1 1 281.274 1.653 20 0 CDADMM CC(C)(NCC(=O)[O-])C(=O)NCC1CCCCC1 ZINC000819948285 604482895 /nfs/dbraw/zinc/48/28/95/604482895.db2.gz NCALFUXIDWYFCS-UHFFFAOYSA-N -1 1 256.346 1.136 20 0 CDADMM C[C@@H]1CN(C(=O)N[C@H]2CCCc3cn[nH]c32)C[C@@H]1C(=O)[O-] ZINC000828347165 604539503 /nfs/dbraw/zinc/53/95/03/604539503.db2.gz CQSDWGKTQFXGDW-MIMYLULJSA-N -1 1 292.339 1.149 20 0 CDADMM CC1(C)CN(CN2CCC[C@@H]2CC(=O)[O-])C(=O)O1 ZINC000833561001 604546026 /nfs/dbraw/zinc/54/60/26/604546026.db2.gz DUNLUUSADMPETB-SECBINFHSA-N -1 1 256.302 1.114 20 0 CDADMM C[C@H]1CN(C(=O)c2cccc(C(=O)[O-])c2)[C@@H](C)CN1C ZINC000820245181 604577644 /nfs/dbraw/zinc/57/76/44/604577644.db2.gz KZNHOXCGJRABAJ-QWRGUYRKSA-N -1 1 276.336 1.549 20 0 CDADMM Cc1cc(C[C@H](C)NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)n[nH]1 ZINC000832882992 604743747 /nfs/dbraw/zinc/74/37/47/604743747.db2.gz FNFDPAHHDVFYQH-ZMLRMANQSA-N -1 1 293.367 1.656 20 0 CDADMM CN(C)Cc1ccsc1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000830623616 604749879 /nfs/dbraw/zinc/74/98/79/604749879.db2.gz FXFSWXSFRYMOBR-NSHDSACASA-N -1 1 296.392 1.889 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CSc2nnc(C3CC3)[nH]2)O1 ZINC000833579889 604887134 /nfs/dbraw/zinc/88/71/34/604887134.db2.gz DIDCLJRIROTVBN-MRVPVSSYSA-N -1 1 281.337 1.922 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CSc2n[nH]c(C3CC3)n2)O1 ZINC000833579889 604887136 /nfs/dbraw/zinc/88/71/36/604887136.db2.gz DIDCLJRIROTVBN-MRVPVSSYSA-N -1 1 281.337 1.922 20 0 CDADMM COC[C@](C)(CC(=O)[O-])NCc1ncc(C)s1 ZINC000833722366 604910894 /nfs/dbraw/zinc/91/08/94/604910894.db2.gz SKLPZCPXOMXNKK-NSHDSACASA-N -1 1 258.343 1.421 20 0 CDADMM C[C@H]1CN(Cc2ccc(C(=O)[O-])s2)CCN1C ZINC000110725059 604929920 /nfs/dbraw/zinc/92/99/20/604929920.db2.gz XBHALJQKLZLIEJ-VIFPVBQESA-N -1 1 254.355 1.582 20 0 CDADMM Cn1ncnc1CN1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000135035770 604948655 /nfs/dbraw/zinc/94/86/55/604948655.db2.gz OEOHCYLNURWBQU-JTQLQIEISA-N -1 1 266.345 1.138 20 0 CDADMM CC(C)c1nc([C@H](C)NC(=O)CCCNC(=O)[O-])n[nH]1 ZINC000833512743 605023672 /nfs/dbraw/zinc/02/36/72/605023672.db2.gz SPVXTFDWMKITHT-QMMMGPOBSA-N -1 1 283.332 1.153 20 0 CDADMM Cc1cc(=O)[n-]c(C[NH2+][C@@]2(C)CCCC[C@@H]2C(=O)[O-])n1 ZINC000833746874 605064185 /nfs/dbraw/zinc/06/41/85/605064185.db2.gz KOZGKJJOLORMPD-YGRLFVJLSA-N -1 1 279.340 1.614 20 0 CDADMM C[C@@H]1CCC[C@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])C1 ZINC000383092545 605073619 /nfs/dbraw/zinc/07/36/19/605073619.db2.gz CKAJRAHGCBLGMS-SCVCMEIPSA-N -1 1 279.340 1.348 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(F)c1 ZINC000833625402 605112288 /nfs/dbraw/zinc/11/22/88/605112288.db2.gz LLJCMZBAANUSNT-LLVKDONJSA-N -1 1 294.326 1.447 20 0 CDADMM C[C@@H]1C[C@@H]1N1C[C@H](NCc2ccc(C(=O)[O-])o2)CC1=O ZINC000833604996 605112687 /nfs/dbraw/zinc/11/26/87/605112687.db2.gz LZNLWBIRSAWJMR-KKZNHRDASA-N -1 1 278.308 1.077 20 0 CDADMM C[C@@H](NCCC(=O)NCC(=O)[O-])c1ccc(F)cc1F ZINC000833739167 605138410 /nfs/dbraw/zinc/13/84/10/605138410.db2.gz NVLCRCMORCHWTF-MRVPVSSYSA-N -1 1 286.278 1.206 20 0 CDADMM C[C@H](Nc1nc(Cl)c(C(=O)[O-])s1)c1nnc[nH]1 ZINC000833526299 605292770 /nfs/dbraw/zinc/29/27/70/605292770.db2.gz STETWAUZKIGXEO-VKHMYHEASA-N -1 1 273.705 1.786 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2)[C@H](C)CN1C ZINC000833620786 605530170 /nfs/dbraw/zinc/53/01/70/605530170.db2.gz HJEYYXYCPSOGIU-GHMZBOCLSA-N -1 1 291.351 1.941 20 0 CDADMM CC[C@H](C)CN(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820869900 606169179 /nfs/dbraw/zinc/16/91/79/606169179.db2.gz JUURKUZDHVNWGS-QMMMGPOBSA-N -1 1 292.347 1.110 20 0 CDADMM CC[C@H](C)CN(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820869900 606169181 /nfs/dbraw/zinc/16/91/81/606169181.db2.gz JUURKUZDHVNWGS-QMMMGPOBSA-N -1 1 292.347 1.110 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc[nH]c1 ZINC000823294479 606298750 /nfs/dbraw/zinc/29/87/50/606298750.db2.gz CCMLNDJCAOOYSD-UHFFFAOYSA-N -1 1 270.252 1.153 20 0 CDADMM CCC1(CNC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820962058 606448249 /nfs/dbraw/zinc/44/82/49/606448249.db2.gz HMGCALTVGHLEPY-UHFFFAOYSA-N -1 1 277.353 1.848 20 0 CDADMM CCC1(CNC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820962058 606448250 /nfs/dbraw/zinc/44/82/50/606448250.db2.gz HMGCALTVGHLEPY-UHFFFAOYSA-N -1 1 277.353 1.848 20 0 CDADMM c1ccc([C@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)nc1 ZINC000823779674 606460263 /nfs/dbraw/zinc/46/02/63/606460263.db2.gz GPYYIQQNTXWDLW-CYBMUJFWSA-N -1 1 293.334 1.998 20 0 CDADMM c1ccc([C@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)nc1 ZINC000823779674 606460264 /nfs/dbraw/zinc/46/02/64/606460264.db2.gz GPYYIQQNTXWDLW-CYBMUJFWSA-N -1 1 293.334 1.998 20 0 CDADMM C[C@@H](CO)Sc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820287221 606469853 /nfs/dbraw/zinc/46/98/53/606469853.db2.gz KOXGTMFBGHEFTC-YFKPBYRVSA-N -1 1 271.733 1.388 20 0 CDADMM C[C@@H](CO)Sc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820287221 606469854 /nfs/dbraw/zinc/46/98/54/606469854.db2.gz KOXGTMFBGHEFTC-YFKPBYRVSA-N -1 1 271.733 1.388 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1CCC1 ZINC000823436499 606519128 /nfs/dbraw/zinc/51/91/28/606519128.db2.gz YEORKWNJWQVMEA-UHFFFAOYSA-N -1 1 259.269 1.105 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1CCC1 ZINC000823436499 606519129 /nfs/dbraw/zinc/51/91/29/606519129.db2.gz YEORKWNJWQVMEA-UHFFFAOYSA-N -1 1 259.269 1.105 20 0 CDADMM O=C(NCC[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)s1 ZINC000823187195 606523941 /nfs/dbraw/zinc/52/39/41/606523941.db2.gz FOWSWZVEQBCIKO-MRVPVSSYSA-N -1 1 293.352 1.227 20 0 CDADMM O=C(NCC[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)s1 ZINC000823187195 606523943 /nfs/dbraw/zinc/52/39/43/606523943.db2.gz FOWSWZVEQBCIKO-MRVPVSSYSA-N -1 1 293.352 1.227 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000823289089 606531530 /nfs/dbraw/zinc/53/15/30/606531530.db2.gz AUWMZDWRKBZFMC-UHFFFAOYSA-N -1 1 295.715 1.557 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000823289089 606531532 /nfs/dbraw/zinc/53/15/32/606531532.db2.gz AUWMZDWRKBZFMC-UHFFFAOYSA-N -1 1 295.715 1.557 20 0 CDADMM C[C@]1(CNC(=O)c2ccc(-c3nnn[n-]3)s2)CCOC1 ZINC000820618764 606561100 /nfs/dbraw/zinc/56/11/00/606561100.db2.gz NTXYKFFYDVFJBV-GFCCVEGCSA-N -1 1 293.352 1.085 20 0 CDADMM C[C@]1(CNC(=O)c2ccc(-c3nn[n-]n3)s2)CCOC1 ZINC000820618764 606561101 /nfs/dbraw/zinc/56/11/01/606561101.db2.gz NTXYKFFYDVFJBV-GFCCVEGCSA-N -1 1 293.352 1.085 20 0 CDADMM Clc1cccc(Cn2ccnc2-c2nnn[n-]2)c1 ZINC000822586400 606654937 /nfs/dbraw/zinc/65/49/37/606654937.db2.gz XEJWGUSTJCJYLR-UHFFFAOYSA-N -1 1 260.688 1.765 20 0 CDADMM Clc1cccc(Cn2ccnc2-c2nn[n-]n2)c1 ZINC000822586400 606654938 /nfs/dbraw/zinc/65/49/38/606654938.db2.gz XEJWGUSTJCJYLR-UHFFFAOYSA-N -1 1 260.688 1.765 20 0 CDADMM CC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820988930 606689792 /nfs/dbraw/zinc/68/97/92/606689792.db2.gz JIVKFRBJWHBRQD-MRVPVSSYSA-N -1 1 277.353 1.800 20 0 CDADMM CC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820988930 606689793 /nfs/dbraw/zinc/68/97/93/606689793.db2.gz JIVKFRBJWHBRQD-MRVPVSSYSA-N -1 1 277.353 1.800 20 0 CDADMM c1cc(N2CCC[C@H]2C2CCCC2)nnc1-c1nnn[n-]1 ZINC000826516912 607990387 /nfs/dbraw/zinc/99/03/87/607990387.db2.gz HYNIAULNLHTGMG-LBPRGKRZSA-N -1 1 285.355 1.816 20 0 CDADMM c1cc(N2CCC[C@H]2C2CCCC2)nnc1-c1nn[n-]n1 ZINC000826516912 607990388 /nfs/dbraw/zinc/99/03/88/607990388.db2.gz HYNIAULNLHTGMG-LBPRGKRZSA-N -1 1 285.355 1.816 20 0 CDADMM Clc1cccc(Cn2ccnc2-c2nnn[n-]2)n1 ZINC000826353578 608012878 /nfs/dbraw/zinc/01/28/78/608012878.db2.gz VVGCBQDQTGCHHI-UHFFFAOYSA-N -1 1 261.676 1.160 20 0 CDADMM Clc1cccc(Cn2ccnc2-c2nn[n-]n2)n1 ZINC000826353578 608012879 /nfs/dbraw/zinc/01/28/79/608012879.db2.gz VVGCBQDQTGCHHI-UHFFFAOYSA-N -1 1 261.676 1.160 20 0 CDADMM Cc1cccc(NC(=O)Cn2ccnc2-c2nnn[n-]2)c1 ZINC000826299744 608013643 /nfs/dbraw/zinc/01/36/43/608013643.db2.gz SQSKWJIEJSTBLA-UHFFFAOYSA-N -1 1 283.295 1.010 20 0 CDADMM Cc1cccc(NC(=O)Cn2ccnc2-c2nn[n-]n2)c1 ZINC000826299744 608013644 /nfs/dbraw/zinc/01/36/44/608013644.db2.gz SQSKWJIEJSTBLA-UHFFFAOYSA-N -1 1 283.295 1.010 20 0 CDADMM C[C@H]1CC[C@H](COC(=O)c2sccc2-c2nn[n-]n2)O1 ZINC000824908343 608076332 /nfs/dbraw/zinc/07/63/32/608076332.db2.gz OBICAASKXZAGBJ-JGVFFNPUSA-N -1 1 294.336 1.653 20 0 CDADMM CCCCC[S@@](=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825276057 608386301 /nfs/dbraw/zinc/38/63/01/608386301.db2.gz NVBZLLWDKXSGFA-LJQANCHMSA-N -1 1 279.369 1.701 20 0 CDADMM CCCCC[S@@](=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825276057 608386303 /nfs/dbraw/zinc/38/63/03/608386303.db2.gz NVBZLLWDKXSGFA-LJQANCHMSA-N -1 1 279.369 1.701 20 0 CDADMM c1cc(CNc2ccc(-c3nnn[n-]3)nn2)cs1 ZINC000826516408 608399611 /nfs/dbraw/zinc/39/96/11/608399611.db2.gz JMFQCEJPXOLIFB-UHFFFAOYSA-N -1 1 259.298 1.330 20 0 CDADMM c1cc(CNc2ccc(-c3nn[n-]n3)nn2)cs1 ZINC000826516408 608399612 /nfs/dbraw/zinc/39/96/12/608399612.db2.gz JMFQCEJPXOLIFB-UHFFFAOYSA-N -1 1 259.298 1.330 20 0 CDADMM CC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825204520 608419426 /nfs/dbraw/zinc/41/94/26/608419426.db2.gz RXOONAJRHZUISX-SNVBAGLBSA-N -1 1 273.344 1.673 20 0 CDADMM CC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825204520 608419428 /nfs/dbraw/zinc/41/94/28/608419428.db2.gz RXOONAJRHZUISX-SNVBAGLBSA-N -1 1 273.344 1.673 20 0 CDADMM Cc1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826287584 608419955 /nfs/dbraw/zinc/41/99/55/608419955.db2.gz UXGLPMFFXURYHV-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1ccc(CCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826287584 608419956 /nfs/dbraw/zinc/41/99/56/608419956.db2.gz UXGLPMFFXURYHV-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM COC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC000826152346 608423146 /nfs/dbraw/zinc/42/31/46/608423146.db2.gz XDMSHAAEMMOZLJ-GFCCVEGCSA-N -1 1 297.322 1.456 20 0 CDADMM COC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC000826152346 608423147 /nfs/dbraw/zinc/42/31/47/608423147.db2.gz XDMSHAAEMMOZLJ-GFCCVEGCSA-N -1 1 297.322 1.456 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CN1CCOC[C@H]1C1CC1 ZINC000826515098 608726922 /nfs/dbraw/zinc/72/69/22/608726922.db2.gz MQOOZZJZEBPOIH-NSHDSACASA-N -1 1 275.312 1.071 20 0 CDADMM COC1(C)CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000826143963 609165024 /nfs/dbraw/zinc/16/50/24/609165024.db2.gz YFRNWCBQBYTXMW-UHFFFAOYSA-N -1 1 280.719 1.140 20 0 CDADMM COC1(C)CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000826143963 609165025 /nfs/dbraw/zinc/16/50/25/609165025.db2.gz YFRNWCBQBYTXMW-UHFFFAOYSA-N -1 1 280.719 1.140 20 0 CDADMM O=C(c1ccc([O-])cc1F)N1CCCCCNC(=O)CC1 ZINC000889428798 617296550 /nfs/dbraw/zinc/29/65/50/617296550.db2.gz RHTFYVBDHMYEME-UHFFFAOYSA-N -1 1 294.326 1.664 20 0 CDADMM Cc1cnc(C(=O)N[C@@H]2COC[C@H]2C2CC2)c([O-])c1 ZINC000891049093 617356620 /nfs/dbraw/zinc/35/66/20/617356620.db2.gz MLFVLVWOBNTPLP-WDEREUQCSA-N -1 1 262.309 1.250 20 0 CDADMM COCc1nc(N(C)Cc2cscn2)cc(=O)[n-]1 ZINC000892000705 617399566 /nfs/dbraw/zinc/39/95/66/617399566.db2.gz ULBFOFKBJLCXGA-UHFFFAOYSA-N -1 1 266.326 1.422 20 0 CDADMM O=C(CCCF)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891615255 617502719 /nfs/dbraw/zinc/50/27/19/617502719.db2.gz PCAGTBVSLNIKEA-UHFFFAOYSA-N -1 1 253.277 1.749 20 0 CDADMM CCCC(=O)N1CC[C@@](C)(NC(=O)c2ncccc2[O-])C1 ZINC000956848489 614819929 /nfs/dbraw/zinc/81/99/29/614819929.db2.gz BBVAHWMQYVBLLN-OAHLLOKOSA-N -1 1 291.351 1.308 20 0 CDADMM C[C@@H]1C[C@H](C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CCO1 ZINC000891618320 617507031 /nfs/dbraw/zinc/50/70/31/617507031.db2.gz OYLUKKUXMCKUBL-NXEZZACHSA-N -1 1 291.351 1.815 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@@H]1CCCO1 ZINC000891620818 617508867 /nfs/dbraw/zinc/50/88/67/617508867.db2.gz CTAFGEMSJXOSIF-JTQLQIEISA-N -1 1 263.297 1.179 20 0 CDADMM Cc1cnn(CC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1 ZINC000891622194 617510285 /nfs/dbraw/zinc/51/02/85/617510285.db2.gz CYVYYJZLCGNLCB-UHFFFAOYSA-N -1 1 287.323 1.205 20 0 CDADMM COCc1nc(NC[C@H]2Cc3ccccc3O2)cc(=O)[n-]1 ZINC000891757794 617571838 /nfs/dbraw/zinc/57/18/38/617571838.db2.gz UAUIATJBYVZQJA-LLVKDONJSA-N -1 1 287.319 1.744 20 0 CDADMM CN(C(=O)[C@H](c1ccccc1)C1CC1)c1nn[n-]n1 ZINC000892954677 617978571 /nfs/dbraw/zinc/97/85/71/617978571.db2.gz PSMPRZKIWSODCR-LLVKDONJSA-N -1 1 257.297 1.356 20 0 CDADMM C[C@@H]1CN(C(=O)c2cccc(F)c2[O-])[C@@H](C)CN1C ZINC000935191108 618054844 /nfs/dbraw/zinc/05/48/44/618054844.db2.gz FSKXSEAXXWZYMB-ZJUUUORDSA-N -1 1 266.316 1.696 20 0 CDADMM COCc1nc(N2C[C@@H](C3CC3)O[C@@H](C)C2)cc(=O)[n-]1 ZINC000893595183 617636968 /nfs/dbraw/zinc/63/69/68/617636968.db2.gz UPALRIJKRAZNND-ONGXEEELSA-N -1 1 279.340 1.332 20 0 CDADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@H]1CO ZINC000889132586 617723012 /nfs/dbraw/zinc/72/30/12/617723012.db2.gz LTXPXKDZYPCWGD-NSHDSACASA-N -1 1 257.289 1.752 20 0 CDADMM COCc1nc(N2CC[C@H](OCC(C)C)C2)cc(=O)[n-]1 ZINC000892905563 617887770 /nfs/dbraw/zinc/88/77/70/617887770.db2.gz IBQASEBCKNOXBI-NSHDSACASA-N -1 1 281.356 1.580 20 0 CDADMM CCN(C[C@@H]1CCCO1)c1cc(=O)[n-]c(COC)n1 ZINC000891969749 617905891 /nfs/dbraw/zinc/90/58/91/617905891.db2.gz VRJSSXGRKQAZFJ-JTQLQIEISA-N -1 1 267.329 1.334 20 0 CDADMM CN(C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1nn[n-]n1 ZINC000892954083 617974226 /nfs/dbraw/zinc/97/42/26/617974226.db2.gz CGUQONXIOLIZSS-GMTAPVOTSA-N -1 1 263.345 1.769 20 0 CDADMM Cc1cc(CC(=O)N[C@H](CC(=O)[O-])C2CCCC2)[nH]n1 ZINC000910561233 618305615 /nfs/dbraw/zinc/30/56/15/618305615.db2.gz XZWOWRIOOVDZMN-GFCCVEGCSA-N -1 1 279.340 1.410 20 0 CDADMM CCCn1nccc1CN1CCSC[C@H](C(=O)[O-])C1 ZINC000901892119 618320080 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275.316 1.355 20 0 CDADMM C[C@@H]1C[C@H](COc2cnc(-c3nn[n-]n3)nc2)C[C@H](C)O1 ZINC001605445126 1163567808 /nfs/dbraw/zinc/56/78/08/1163567808.db2.gz GRLQGSSIOUJEQL-MYJAWHEDSA-N -1 1 290.327 1.239 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3COC[C@]3(C)C2)c1 ZINC001605558711 1163609933 /nfs/dbraw/zinc/60/99/33/1163609933.db2.gz WDEDMYSFCGPLAQ-YGRLFVJLSA-N -1 1 286.339 1.043 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3COC[C@]3(C)C2)c1 ZINC001605558711 1163609938 /nfs/dbraw/zinc/60/99/38/1163609938.db2.gz WDEDMYSFCGPLAQ-YGRLFVJLSA-N -1 1 286.339 1.043 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@](C)(O)CC2)c1 ZINC001605561446 1163610471 /nfs/dbraw/zinc/61/04/71/1163610471.db2.gz XITCQTKOZQKEAT-CQSZACIVSA-N -1 1 288.355 1.311 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@](C)(O)CC2)c1 ZINC001605561446 1163610474 /nfs/dbraw/zinc/61/04/74/1163610474.db2.gz XITCQTKOZQKEAT-CQSZACIVSA-N -1 1 288.355 1.311 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)n1 ZINC001605569602 1163613143 /nfs/dbraw/zinc/61/31/43/1163613143.db2.gz OLEVPQJSSUJSQJ-KBIXCLLPSA-N -1 1 289.343 1.189 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)n1 ZINC001605569602 1163613145 /nfs/dbraw/zinc/61/31/45/1163613145.db2.gz OLEVPQJSSUJSQJ-KBIXCLLPSA-N -1 1 289.343 1.189 20 0 CDADMM CCOc1ccccc1[C@@H](N)CC(=O)NC[C@@H](C)C(=O)[O-] ZINC001605715696 1163648515 /nfs/dbraw/zinc/64/85/15/1163648515.db2.gz QXKGTPBVHBNUOC-PWSUYJOCSA-N -1 1 294.351 1.312 20 0 CDADMM Cc1cc(NCCC2(CO)CCC2)nc(-c2nnn[n-]2)c1 ZINC001605730935 1163653203 /nfs/dbraw/zinc/65/32/03/1163653203.db2.gz TYDHCHFEIAUZQE-UHFFFAOYSA-N -1 1 288.355 1.535 20 0 CDADMM Cc1cc(NCCC2(CO)CCC2)nc(-c2nn[n-]n2)c1 ZINC001605730935 1163653204 /nfs/dbraw/zinc/65/32/04/1163653204.db2.gz TYDHCHFEIAUZQE-UHFFFAOYSA-N -1 1 288.355 1.535 20 0 CDADMM Cc1cc(NCC2(C)CCOCC2)cc(-c2nnn[n-]2)n1 ZINC001605728935 1163654271 /nfs/dbraw/zinc/65/42/71/1163654271.db2.gz ZQUWLMHPKWWXHW-UHFFFAOYSA-N -1 1 288.355 1.799 20 0 CDADMM Cc1cc(NCC2(C)CCOCC2)cc(-c2nn[n-]n2)n1 ZINC001605728935 1163654275 /nfs/dbraw/zinc/65/42/75/1163654275.db2.gz ZQUWLMHPKWWXHW-UHFFFAOYSA-N -1 1 288.355 1.799 20 0 CDADMM CCc1nc([C@H](C)Nc2nccc(C(=O)[O-])n2)n[nH]1 ZINC001605844924 1163687282 /nfs/dbraw/zinc/68/72/82/1163687282.db2.gz ANBBCYHRQAYFAS-LURJTMIESA-N -1 1 262.273 1.028 20 0 CDADMM Cc1ccc(CC[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)o1 ZINC001605843837 1163687389 /nfs/dbraw/zinc/68/73/89/1163687389.db2.gz OYQOPXFOICHECU-VIFPVBQESA-N -1 1 299.338 1.991 20 0 CDADMM Cc1ccc(CC[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)o1 ZINC001605843837 1163687392 /nfs/dbraw/zinc/68/73/92/1163687392.db2.gz OYQOPXFOICHECU-VIFPVBQESA-N -1 1 299.338 1.991 20 0 CDADMM Cc1ccc(N2CC[C@]3(CCOC3)C2)nc1-c1nnn[n-]1 ZINC001605864373 1163696699 /nfs/dbraw/zinc/69/66/99/1163696699.db2.gz BEEIJQACAYCKAA-AWEZNQCLSA-N -1 1 286.339 1.187 20 0 CDADMM Cc1ccc(N2CC[C@]3(CCOC3)C2)nc1-c1nn[n-]n1 ZINC001605864373 1163696701 /nfs/dbraw/zinc/69/67/01/1163696701.db2.gz BEEIJQACAYCKAA-AWEZNQCLSA-N -1 1 286.339 1.187 20 0 CDADMM Cc1ccc(N[C@@H]2CS[C@@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001605871445 1163700282 /nfs/dbraw/zinc/70/02/82/1163700282.db2.gz DCEUTPAEOXXVIV-IUCAKERBSA-N -1 1 276.369 1.876 20 0 CDADMM Cc1ccc(N[C@@H]2CS[C@@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001605871445 1163700290 /nfs/dbraw/zinc/70/02/90/1163700290.db2.gz DCEUTPAEOXXVIV-IUCAKERBSA-N -1 1 276.369 1.876 20 0 CDADMM Cc1ccc(NC[C@H]2CCC[C@@H]2O)nc1-c1nnn[n-]1 ZINC001605875044 1163702102 /nfs/dbraw/zinc/70/21/02/1163702102.db2.gz WNBFBYQOKROCSV-ZJUUUORDSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1ccc(NC[C@H]2CCC[C@@H]2O)nc1-c1nn[n-]n1 ZINC001605875044 1163702113 /nfs/dbraw/zinc/70/21/13/1163702113.db2.gz WNBFBYQOKROCSV-ZJUUUORDSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cccnc1COc1ccc(F)nc1-c1nn[n-]n1 ZINC001605947425 1163723164 /nfs/dbraw/zinc/72/31/64/1163723164.db2.gz LTVHRXFCJUDCLO-UHFFFAOYSA-N -1 1 286.270 1.683 20 0 CDADMM CN(C(=O)C12CCCN1CCC2)c1ncc(C(=O)[O-])s1 ZINC001605954458 1163726154 /nfs/dbraw/zinc/72/61/54/1163726154.db2.gz MKBDZZBUGUZHQX-UHFFFAOYSA-N -1 1 295.364 1.433 20 0 CDADMM CN(C)Cc1ccnc(NC(=O)c2ccc(C(=O)[O-])o2)c1 ZINC001606036414 1163753113 /nfs/dbraw/zinc/75/31/13/1163753113.db2.gz DDBHDRWVMWQMRN-UHFFFAOYSA-N -1 1 289.291 1.687 20 0 CDADMM Cc1nc(N[C@H](C)CC(C)C)cc(-c2nnn[n-]2)n1 ZINC001606059028 1163758357 /nfs/dbraw/zinc/75/83/57/1163758357.db2.gz CEZOEFPGSJPHRU-MRVPVSSYSA-N -1 1 261.333 1.812 20 0 CDADMM Cc1nc(N[C@H](C)CC(C)C)cc(-c2nn[n-]n2)n1 ZINC001606059028 1163758358 /nfs/dbraw/zinc/75/83/58/1163758358.db2.gz CEZOEFPGSJPHRU-MRVPVSSYSA-N -1 1 261.333 1.812 20 0 CDADMM Cc1nc(NC[C@@H]2CCCCS2)cc(-c2nnn[n-]2)n1 ZINC001606069554 1163763460 /nfs/dbraw/zinc/76/34/60/1163763460.db2.gz LQWYNSZADHAGMG-VIFPVBQESA-N -1 1 291.384 1.663 20 0 CDADMM Cc1nc(NC[C@@H]2CCCCS2)cc(-c2nn[n-]n2)n1 ZINC001606069554 1163763467 /nfs/dbraw/zinc/76/34/67/1163763467.db2.gz LQWYNSZADHAGMG-VIFPVBQESA-N -1 1 291.384 1.663 20 0 CDADMM Cc1ncc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)cn1 ZINC001606092334 1163769641 /nfs/dbraw/zinc/76/96/41/1163769641.db2.gz RCCHTMQVHSZQFU-UHFFFAOYSA-N -1 1 299.269 1.357 20 0 CDADMM Cc1ncc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)cn1 ZINC001606092334 1163769647 /nfs/dbraw/zinc/76/96/47/1163769647.db2.gz RCCHTMQVHSZQFU-UHFFFAOYSA-N -1 1 299.269 1.357 20 0 CDADMM Cc1noc(C)c1CN(C)c1cccnc1-c1nnn[n-]1 ZINC001606131476 1163782673 /nfs/dbraw/zinc/78/26/73/1163782673.db2.gz BEOIPSQICCALTD-UHFFFAOYSA-N -1 1 285.311 1.503 20 0 CDADMM Cc1noc(C)c1CN(C)c1cccnc1-c1nn[n-]n1 ZINC001606131476 1163782677 /nfs/dbraw/zinc/78/26/77/1163782677.db2.gz BEOIPSQICCALTD-UHFFFAOYSA-N -1 1 285.311 1.503 20 0 CDADMM Cc1nsc(N2CCC[C@H]([C@@H](C)O)C2)c1-c1nn[n-]n1 ZINC001606144320 1163787791 /nfs/dbraw/zinc/78/77/91/1163787791.db2.gz CWRDCNZGEBKAHG-BDAKNGLRSA-N -1 1 294.384 1.229 20 0 CDADMM Cc1nsc(N[C@@H](C)[C@@H](C)CO)c1-c1nn[n-]n1 ZINC001606150509 1163790232 /nfs/dbraw/zinc/79/02/32/1163790232.db2.gz DENZRHROWPQTMD-WDSKDSINSA-N -1 1 268.346 1.060 20 0 CDADMM COC(=O)[C@H](CCC(=O)[O-])N1CCC([C@@H]2CCOC2)CC1 ZINC001606330396 1163862658 /nfs/dbraw/zinc/86/26/58/1163862658.db2.gz ISFGITYPFJEYAU-OLZOCXBDSA-N -1 1 299.367 1.141 20 0 CDADMM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1nc2ccccn2n1 ZINC000813360356 1163874343 /nfs/dbraw/zinc/87/43/43/1163874343.db2.gz LGXZXGFSABFYGA-LURJTMIESA-N -1 1 299.212 1.107 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cccc(C2CC2)c1 ZINC001606446009 1163903022 /nfs/dbraw/zinc/90/30/22/1163903022.db2.gz BORYDNMDNORUNS-UHFFFAOYSA-N -1 1 295.306 1.211 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C=Cc1ccccc1F ZINC001606444876 1163903057 /nfs/dbraw/zinc/90/30/57/1163903057.db2.gz FGDBWYUBYFLOHK-WAYWQWQTSA-N -1 1 299.269 1.138 20 0 CDADMM O=C(N[C@@H]1C=CCCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606649064 1163943936 /nfs/dbraw/zinc/94/39/36/1163943936.db2.gz YQZXFRUQUVSDEU-SECBINFHSA-N -1 1 287.298 1.844 20 0 CDADMM O=C(N[C@@H]1C=CCCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606649064 1163943941 /nfs/dbraw/zinc/94/39/41/1163943941.db2.gz YQZXFRUQUVSDEU-SECBINFHSA-N -1 1 287.298 1.844 20 0 CDADMM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(-c2nnn[n-]2)s1 ZINC001606664960 1163952614 /nfs/dbraw/zinc/95/26/14/1163952614.db2.gz WSPLFELEAYPMSG-IWSPIJDZSA-N -1 1 289.364 1.847 20 0 CDADMM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(-c2nn[n-]n2)s1 ZINC001606664960 1163952618 /nfs/dbraw/zinc/95/26/18/1163952618.db2.gz WSPLFELEAYPMSG-IWSPIJDZSA-N -1 1 289.364 1.847 20 0 CDADMM CO[C@]1(C)C[C@@H](N(C)CN2C[C@H](C(=O)[O-])CC2=O)C1(C)C ZINC001606713174 1163968374 /nfs/dbraw/zinc/96/83/74/1163968374.db2.gz HBDIDNRPGLQWNE-UEKVPHQBSA-N -1 1 298.383 1.012 20 0 CDADMM O=C(NCC1=CCCOC1)c1ccsc1-c1nnn[n-]1 ZINC001606716632 1163970361 /nfs/dbraw/zinc/97/03/61/1163970361.db2.gz ZGJMKGMOKYTOMY-UHFFFAOYSA-N -1 1 291.336 1.005 20 0 CDADMM O=C(NCC1=CCCOC1)c1ccsc1-c1nn[n-]n1 ZINC001606716632 1163970365 /nfs/dbraw/zinc/97/03/65/1163970365.db2.gz ZGJMKGMOKYTOMY-UHFFFAOYSA-N -1 1 291.336 1.005 20 0 CDADMM O=C(Nc1c[nH]nc1Cl)c1coc(-c2nnn[n-]2)c1 ZINC001606894209 1164026411 /nfs/dbraw/zinc/02/64/11/1164026411.db2.gz MZUZDHQTDNOXOM-UHFFFAOYSA-N -1 1 279.647 1.089 20 0 CDADMM O=C(Nc1c[nH]nc1Cl)c1coc(-c2nn[n-]n2)c1 ZINC001606894209 1164026414 /nfs/dbraw/zinc/02/64/14/1164026414.db2.gz MZUZDHQTDNOXOM-UHFFFAOYSA-N -1 1 279.647 1.089 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@H]1CC12CCCC2 ZINC001606943949 1164034123 /nfs/dbraw/zinc/03/41/23/1164034123.db2.gz JOOTYRLJNDBTRB-NSHDSACASA-N -1 1 299.338 1.716 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@H]1CC12CCCC2 ZINC001606943949 1164034131 /nfs/dbraw/zinc/03/41/31/1164034131.db2.gz JOOTYRLJNDBTRB-NSHDSACASA-N -1 1 299.338 1.716 20 0 CDADMM COCc1noc(CN[C@@]2(C)CCCC[C@@H]2C(=O)[O-])n1 ZINC001606980899 1164047533 /nfs/dbraw/zinc/04/75/33/1164047533.db2.gz DTWROUHIYQYTAZ-RNCFNFMXSA-N -1 1 283.328 1.339 20 0 CDADMM c1cc(CC2CN(c3ccc(-c4nnn[n-]4)nn3)C2)cs1 ZINC001607117851 1164098840 /nfs/dbraw/zinc/09/88/40/1164098840.db2.gz JMPJYBGNXXKLMX-UHFFFAOYSA-N -1 1 299.363 1.397 20 0 CDADMM c1cc(CC2CN(c3ccc(-c4nn[n-]n4)nn3)C2)cs1 ZINC001607117851 1164098846 /nfs/dbraw/zinc/09/88/46/1164098846.db2.gz JMPJYBGNXXKLMX-UHFFFAOYSA-N -1 1 299.363 1.397 20 0 CDADMM c1cc([C@@H]2CCN(c3ncncc3-c3nn[n-]n3)C2)ccn1 ZINC001607118171 1164098893 /nfs/dbraw/zinc/09/88/93/1164098893.db2.gz SXWAJLZPSWTUCK-LLVKDONJSA-N -1 1 294.322 1.046 20 0 CDADMM c1cc(N2CC[C@@H](C3CCC3)C2)nnc1-c1nnn[n-]1 ZINC001607119884 1164103415 /nfs/dbraw/zinc/10/34/15/1164103415.db2.gz LHQWQRVZVMZCSY-SNVBAGLBSA-N -1 1 271.328 1.283 20 0 CDADMM c1cc(N2CC[C@@H](C3CCC3)C2)nnc1-c1nn[n-]n1 ZINC001607119884 1164103418 /nfs/dbraw/zinc/10/34/18/1164103418.db2.gz LHQWQRVZVMZCSY-SNVBAGLBSA-N -1 1 271.328 1.283 20 0 CDADMM c1ccc(OCCCNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001607130606 1164110992 /nfs/dbraw/zinc/11/09/92/1164110992.db2.gz DZUQRLQIERMLHN-UHFFFAOYSA-N -1 1 297.322 1.538 20 0 CDADMM c1ccc(OCCCNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001607130606 1164111000 /nfs/dbraw/zinc/11/10/00/1164111000.db2.gz DZUQRLQIERMLHN-UHFFFAOYSA-N -1 1 297.322 1.538 20 0 CDADMM COc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H]1CCN1C ZINC001607134891 1164114618 /nfs/dbraw/zinc/11/46/18/1164114618.db2.gz REESUSJEVUZREQ-SNVBAGLBSA-N -1 1 293.323 1.219 20 0 CDADMM c1cncc([C@H]2C[C@@H]2Nc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001607135566 1164115092 /nfs/dbraw/zinc/11/50/92/1164115092.db2.gz KFOCLNPQHMPBKQ-ZJUUUORDSA-N -1 1 280.295 1.020 20 0 CDADMM c1cncc([C@H]2C[C@@H]2Nc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001607135566 1164115099 /nfs/dbraw/zinc/11/50/99/1164115099.db2.gz KFOCLNPQHMPBKQ-ZJUUUORDSA-N -1 1 280.295 1.020 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CSc1nncs1 ZINC001607138324 1164118547 /nfs/dbraw/zinc/11/85/47/1164118547.db2.gz QFZDAHMRVJELGN-UHFFFAOYSA-N -1 1 266.311 1.604 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1CSc1nncs1 ZINC001607138324 1164118549 /nfs/dbraw/zinc/11/85/49/1164118549.db2.gz QFZDAHMRVJELGN-UHFFFAOYSA-N -1 1 266.311 1.604 20 0 CDADMM Cc1ccc(C(=O)N2[C@H](C)CN(C)C[C@@H]2C)cc1C(=O)[O-] ZINC001607727164 1164279370 /nfs/dbraw/zinc/27/93/70/1164279370.db2.gz HTFBPBRJNOHGRF-TXEJJXNPSA-N -1 1 290.363 1.858 20 0 CDADMM Cc1ccccc1[C@@H](N)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001607879043 1164320343 /nfs/dbraw/zinc/32/03/43/1164320343.db2.gz QKYTXJZAMRFXHL-IUODEOHRSA-N -1 1 290.363 1.612 20 0 CDADMM Cc1ccccc1OCC[N@@H+](CCC(=O)[O-])CC(=O)[O-] ZINC001607885692 1164321814 /nfs/dbraw/zinc/32/18/14/1164321814.db2.gz ZTIQBIHZTBFJBW-UHFFFAOYSA-N -1 1 281.308 1.235 20 0 CDADMM Cc1oc(C(=O)[O-])cc1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC001608036101 1164388639 /nfs/dbraw/zinc/38/86/39/1164388639.db2.gz LDGUWITWRAPWOE-UHFFFAOYSA-N -1 1 290.279 1.924 20 0 CDADMM Cc1oc(C(=O)[O-])cc1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC001608036101 1164388645 /nfs/dbraw/zinc/38/86/45/1164388645.db2.gz LDGUWITWRAPWOE-UHFFFAOYSA-N -1 1 290.279 1.924 20 0 CDADMM Cn1ccc(CN2CCc3[nH]nc(C(=O)[O-])c3C2)c1 ZINC001608124751 1164417985 /nfs/dbraw/zinc/41/79/85/1164417985.db2.gz MPBDJXKTSMSWRP-UHFFFAOYSA-N -1 1 260.297 1.005 20 0 CDADMM Cn1ncc2ccc(CNCc3ccc(C(=O)[O-])cn3)cc21 ZINC001608161073 1164428510 /nfs/dbraw/zinc/42/85/10/1164428510.db2.gz QWXKRSJLOOPEBS-UHFFFAOYSA-N -1 1 296.330 1.956 20 0 CDADMM O=C([O-])c1ccc(C(=O)Nc2nc(-c3ccco3)n[nH]2)o1 ZINC001608876478 1164670334 /nfs/dbraw/zinc/67/03/34/1164670334.db2.gz SRQGJOOQQPEYIQ-UHFFFAOYSA-N -1 1 288.219 1.608 20 0 CDADMM O=C([O-])c1ccc(CNC[C@H]2CN(C3CC3)C(=O)O2)o1 ZINC001608887065 1164677025 /nfs/dbraw/zinc/67/70/25/1164677025.db2.gz YOKZKTLGWMKHSB-JTQLQIEISA-N -1 1 280.280 1.051 20 0 CDADMM O=C([O-])c1ccc2c(c1)N(C(=O)Cc1cnc[nH]1)CC2 ZINC001608924323 1164684883 /nfs/dbraw/zinc/68/48/83/1164684883.db2.gz XNAAZRRTKWRDPK-UHFFFAOYSA-N -1 1 271.276 1.240 20 0 CDADMM O=C([O-])c1cncc(CN2CCCC[C@]23CCOC3)c1 ZINC001608980683 1164703808 /nfs/dbraw/zinc/70/38/08/1164703808.db2.gz KSYZGCJOMKMTPC-OAHLLOKOSA-N -1 1 276.336 1.925 20 0 CDADMM CC(=O)C[C@H](C)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609061684 1164754282 /nfs/dbraw/zinc/75/42/82/1164754282.db2.gz QZJHVDPNIHXGQT-LURJTMIESA-N -1 1 279.325 1.026 20 0 CDADMM C[C@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001609113284 1164777000 /nfs/dbraw/zinc/77/70/00/1164777000.db2.gz LWIFWYNTDCRTPD-MRVPVSSYSA-N -1 1 287.327 1.429 20 0 CDADMM C[C@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001609113284 1164777010 /nfs/dbraw/zinc/77/70/10/1164777010.db2.gz LWIFWYNTDCRTPD-MRVPVSSYSA-N -1 1 287.327 1.429 20 0 CDADMM Cc1cc(S(=O)(=O)[N-][C@@H](C)Cc2ccco2)sn1 ZINC000866478477 1164785107 /nfs/dbraw/zinc/78/51/07/1164785107.db2.gz YRPWTKSUJWTWNE-VIFPVBQESA-N -1 1 286.378 1.954 20 0 CDADMM C[C@]12CCN(c3ncncc3-c3nn[n-]n3)C[C@H]1C2(F)F ZINC001609151185 1164799090 /nfs/dbraw/zinc/79/90/90/1164799090.db2.gz GKFYWAJOFCUOJI-KCJUWKMLSA-N -1 1 293.281 1.138 20 0 CDADMM C[C@H]1CC(C)(C)CN1c1cccc(-c2nnn[n-]2)n1 ZINC001609154181 1164803088 /nfs/dbraw/zinc/80/30/88/1164803088.db2.gz KMDXQWAWRCELEK-VIFPVBQESA-N -1 1 258.329 1.887 20 0 CDADMM C[C@H]1CC(C)(C)CN1c1cccc(-c2nn[n-]n2)n1 ZINC001609154181 1164803096 /nfs/dbraw/zinc/80/30/96/1164803096.db2.gz KMDXQWAWRCELEK-VIFPVBQESA-N -1 1 258.329 1.887 20 0 CDADMM C[C@@H]1CC[C@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001609160343 1164804828 /nfs/dbraw/zinc/80/48/28/1164804828.db2.gz FZFOJVWUNKEZGS-BDAKNGLRSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@@H]1CC[C@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001609160343 1164804838 /nfs/dbraw/zinc/80/48/38/1164804838.db2.gz FZFOJVWUNKEZGS-BDAKNGLRSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@H]1C[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)CO1 ZINC001609157375 1164804926 /nfs/dbraw/zinc/80/49/26/1164804926.db2.gz JWGSOHHBHGSHJQ-IUCAKERBSA-N -1 1 297.322 1.399 20 0 CDADMM C[C@H]1C[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)CO1 ZINC001609157375 1164804933 /nfs/dbraw/zinc/80/49/33/1164804933.db2.gz JWGSOHHBHGSHJQ-IUCAKERBSA-N -1 1 297.322 1.399 20 0 CDADMM C[C@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001609164622 1164810573 /nfs/dbraw/zinc/81/05/73/1164810573.db2.gz UQHLVPKNMVOMAJ-DTWKUNHWSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001609164622 1164810583 /nfs/dbraw/zinc/81/05/83/1164810583.db2.gz UQHLVPKNMVOMAJ-DTWKUNHWSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@H]1CCN(c2cccnc2-c2nnn[n-]2)C[C@@H]1F ZINC001609168622 1164814950 /nfs/dbraw/zinc/81/49/50/1164814950.db2.gz IQXRXHPJNKUILG-IUCAKERBSA-N -1 1 262.292 1.446 20 0 CDADMM C[C@H]1CCN(c2cccnc2-c2nn[n-]n2)C[C@@H]1F ZINC001609168622 1164814958 /nfs/dbraw/zinc/81/49/58/1164814958.db2.gz IQXRXHPJNKUILG-IUCAKERBSA-N -1 1 262.292 1.446 20 0 CDADMM C[C@@H]1Oc2ccccc2[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001609178813 1164818905 /nfs/dbraw/zinc/81/89/05/1164818905.db2.gz FFGDVWDCTFSGHC-SDBXPKJASA-N -1 1 295.306 1.591 20 0 CDADMM C[C@@H]1Oc2ccccc2[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001609178813 1164818912 /nfs/dbraw/zinc/81/89/12/1164818912.db2.gz FFGDVWDCTFSGHC-SDBXPKJASA-N -1 1 295.306 1.591 20 0 CDADMM CC=CC=CC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001609180996 1164818991 /nfs/dbraw/zinc/81/89/91/1164818991.db2.gz SZOXMKKXNVZTGX-ICWBMWKASA-N -1 1 276.325 1.702 20 0 CDADMM CC=CC=CC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001609180996 1164818997 /nfs/dbraw/zinc/81/89/97/1164818997.db2.gz SZOXMKKXNVZTGX-ICWBMWKASA-N -1 1 276.325 1.702 20 0 CDADMM CC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)oc2C)CCO1 ZINC001609201186 1164842567 /nfs/dbraw/zinc/84/25/67/1164842567.db2.gz BKAXJAANURKAHW-SECBINFHSA-N -1 1 291.311 1.019 20 0 CDADMM CC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)oc2C)CCO1 ZINC001609201186 1164842570 /nfs/dbraw/zinc/84/25/70/1164842570.db2.gz BKAXJAANURKAHW-SECBINFHSA-N -1 1 291.311 1.019 20 0 CDADMM CCCN(CC1CC1)c1cc(-c2nnn[n-]2)ncn1 ZINC001609212850 1164850948 /nfs/dbraw/zinc/85/09/48/1164850948.db2.gz PPMAHWCCLQMSKD-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CCCN(CC1CC1)c1cc(-c2nn[n-]n2)ncn1 ZINC001609212850 1164850955 /nfs/dbraw/zinc/85/09/55/1164850955.db2.gz PPMAHWCCLQMSKD-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CO[C@@H]1[C@@H](C)[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1(C)C ZINC001609311788 1164888403 /nfs/dbraw/zinc/88/84/03/1164888403.db2.gz DTYBSAMJGUODJH-WHGOUJPWSA-N -1 1 289.343 1.128 20 0 CDADMM CO[C@@H]1[C@@H](C)[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1(C)C ZINC001609311788 1164888411 /nfs/dbraw/zinc/88/84/11/1164888411.db2.gz DTYBSAMJGUODJH-WHGOUJPWSA-N -1 1 289.343 1.128 20 0 CDADMM CO[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)CC[C@@H]1C ZINC001609315793 1164895115 /nfs/dbraw/zinc/89/51/15/1164895115.db2.gz UAQWECKIBXMHAT-ONGXEEELSA-N -1 1 274.328 1.123 20 0 CDADMM CO[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)CC[C@@H]1C ZINC001609315793 1164895125 /nfs/dbraw/zinc/89/51/25/1164895125.db2.gz UAQWECKIBXMHAT-ONGXEEELSA-N -1 1 274.328 1.123 20 0 CDADMM COCC[C@@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001609321864 1164901072 /nfs/dbraw/zinc/90/10/72/1164901072.db2.gz SSRNPHCRYLLXDZ-SSDOTTSWSA-N -1 1 282.373 1.716 20 0 CDADMM COCc1ccc(CNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001609330368 1164904557 /nfs/dbraw/zinc/90/45/57/1164904557.db2.gz GNPCZTBMFLLOBM-UHFFFAOYSA-N -1 1 297.322 1.415 20 0 CDADMM COCc1ccc(CNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001609330368 1164904561 /nfs/dbraw/zinc/90/45/61/1164904561.db2.gz GNPCZTBMFLLOBM-UHFFFAOYSA-N -1 1 297.322 1.415 20 0 CDADMM Cc1cc(N2CC[C@@H](C3CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001609404776 1164931569 /nfs/dbraw/zinc/93/15/69/1164931569.db2.gz KWQQABKPTHQTLE-LLVKDONJSA-N -1 1 270.340 1.806 20 0 CDADMM Cc1cc(N2CC[C@@H](C3CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001609404776 1164931573 /nfs/dbraw/zinc/93/15/73/1164931573.db2.gz KWQQABKPTHQTLE-LLVKDONJSA-N -1 1 270.340 1.806 20 0 CDADMM Cc1ccc(NC[C@H]2CCCOC2)nc1-c1nnn[n-]1 ZINC001609426570 1164944101 /nfs/dbraw/zinc/94/41/01/1164944101.db2.gz ZWXUNECKBCBQSD-SNVBAGLBSA-N -1 1 274.328 1.409 20 0 CDADMM Cc1ccc(NC[C@H]2CCCOC2)nc1-c1nn[n-]n1 ZINC001609426570 1164944108 /nfs/dbraw/zinc/94/41/08/1164944108.db2.gz ZWXUNECKBCBQSD-SNVBAGLBSA-N -1 1 274.328 1.409 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCCC[C@H]1C ZINC001609466773 1164964479 /nfs/dbraw/zinc/96/44/79/1164964479.db2.gz JEYUPLOTZRZGBG-MRVPVSSYSA-N -1 1 275.312 1.783 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCCC[C@H]1C ZINC001609466773 1164964484 /nfs/dbraw/zinc/96/44/84/1164964484.db2.gz JEYUPLOTZRZGBG-MRVPVSSYSA-N -1 1 275.312 1.783 20 0 CDADMM FC1(F)CC(CNc2cccc(-c3nnn[n-]3)n2)C1 ZINC001609486290 1164971551 /nfs/dbraw/zinc/97/15/51/1164971551.db2.gz LLCDJJBVCWSFCD-UHFFFAOYSA-N -1 1 266.255 1.719 20 0 CDADMM FC1(F)CC(CNc2cccc(-c3nn[n-]n3)n2)C1 ZINC001609486290 1164971557 /nfs/dbraw/zinc/97/15/57/1164971557.db2.gz LLCDJJBVCWSFCD-UHFFFAOYSA-N -1 1 266.255 1.719 20 0 CDADMM Fc1cccc(Oc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001609492180 1164975203 /nfs/dbraw/zinc/97/52/03/1164975203.db2.gz KAGWZEDQILLRJF-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM Fc1cccc(Oc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001609492180 1164975206 /nfs/dbraw/zinc/97/52/06/1164975206.db2.gz KAGWZEDQILLRJF-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@@H]1C[C@H]1C1CCC1 ZINC001609577336 1164994428 /nfs/dbraw/zinc/99/44/28/1164994428.db2.gz IAJMIOVDGGSYMS-NWDGAFQWSA-N -1 1 299.334 1.741 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@@H]1C[C@H]1C1CCC1 ZINC001609577336 1164994434 /nfs/dbraw/zinc/99/44/34/1164994434.db2.gz IAJMIOVDGGSYMS-NWDGAFQWSA-N -1 1 299.334 1.741 20 0 CDADMM C[C@@H](N1CCN(CC2(C(=O)[O-])CC2)CC1)C(F)(F)F ZINC001609757218 1165070488 /nfs/dbraw/zinc/07/04/88/1165070488.db2.gz JEEKWOMKIXLNFT-SECBINFHSA-N -1 1 280.290 1.420 20 0 CDADMM CN(C)c1cccnc1CNCc1c[nH]c(C(=O)[O-])c1 ZINC001610106883 1165218881 /nfs/dbraw/zinc/21/88/81/1165218881.db2.gz URBCBEBPAJTRGM-UHFFFAOYSA-N -1 1 274.324 1.464 20 0 CDADMM Cc1ncc(CN2CC[C@H](n3cc(C(=O)[O-])nn3)C2)s1 ZINC001610562706 1165356039 /nfs/dbraw/zinc/35/60/39/1165356039.db2.gz KVGIUWOZLJQZCU-VIFPVBQESA-N -1 1 293.352 1.188 20 0 CDADMM O=C(Nc1ccnn1[C@H]1CCOC1)c1ccc(O)cc1[O-] ZINC000888590629 1165360447 /nfs/dbraw/zinc/36/04/47/1165360447.db2.gz GPIYWCIRPQWNAO-VIFPVBQESA-N -1 1 289.291 1.508 20 0 CDADMM O=C([O-])CC1CC(Nc2cnn(-c3ccncc3)c2)C1 ZINC001610760544 1165433061 /nfs/dbraw/zinc/43/30/61/1165433061.db2.gz UKKWYLDBXZLPGP-UHFFFAOYSA-N -1 1 272.308 1.933 20 0 CDADMM O=C([O-])[C@@H]1CN(CNC2(c3ccccc3)CCC2)C(=O)O1 ZINC001610802550 1165446596 /nfs/dbraw/zinc/44/65/96/1165446596.db2.gz OWXOOAJUSKCZKY-LBPRGKRZSA-N -1 1 290.319 1.518 20 0 CDADMM Cn1cc(C(=O)Nc2c[n-][nH]c2=O)c(-c2ccoc2)n1 ZINC001611379011 1165490816 /nfs/dbraw/zinc/49/08/16/1165490816.db2.gz BSYPLEQNAYPUMZ-UHFFFAOYSA-N -1 1 273.252 1.361 20 0 CDADMM CCO[C@H](C(=O)Nc1c[n-][nH]c1=O)c1ccccc1 ZINC001611378958 1165491261 /nfs/dbraw/zinc/49/12/61/1165491261.db2.gz AEJWXRDCPPLHFO-NSHDSACASA-N -1 1 261.281 1.832 20 0 CDADMM Cn1[n-]c(CSc2ccc(-c3ccco3)nn2)nc1=O ZINC001614592278 1165544664 /nfs/dbraw/zinc/54/46/64/1165544664.db2.gz UEVUWRXSAUWYIF-UHFFFAOYSA-N -1 1 289.320 1.451 20 0 CDADMM Cc1cnc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c([O-])c1 ZINC000874832380 1165680040 /nfs/dbraw/zinc/68/00/40/1165680040.db2.gz FESFMOPEIIQYFW-NWDGAFQWSA-N -1 1 275.352 1.404 20 0 CDADMM O=C(NCc1cccc(=O)[nH]1)c1ncc2ccccc2c1[O-] ZINC001623786466 1165791456 /nfs/dbraw/zinc/79/14/56/1165791456.db2.gz YKLAWUQOSIAYMP-UHFFFAOYSA-N -1 1 295.298 1.971 20 0 CDADMM CCC(CC)(NC(=O)c1cn2ccccc2n1)c1nn[n-]n1 ZINC001626904632 1165965784 /nfs/dbraw/zinc/96/57/84/1165965784.db2.gz WHLYMJZFIRNOPN-UHFFFAOYSA-N -1 1 299.338 1.293 20 0 CDADMM Cn1nnc2cc(NC(=O)c3cncc([O-])c3)ccc21 ZINC001630901783 1166241625 /nfs/dbraw/zinc/24/16/25/1166241625.db2.gz XXGDWJINARVZEE-UHFFFAOYSA-N -1 1 269.264 1.321 20 0 CDADMM O=C(c1ncc2ccccc2c1[O-])N1CCn2nccc2C1 ZINC001633447940 1166422301 /nfs/dbraw/zinc/42/23/01/1166422301.db2.gz XFOVZKUWABVYCG-UHFFFAOYSA-N -1 1 294.314 1.793 20 0 CDADMM Cn1nccc1CCNC(=O)c1ncc2ccccc2c1[O-] ZINC001633621516 1166438493 /nfs/dbraw/zinc/43/84/93/1166438493.db2.gz QORLIZVLEUYYDE-UHFFFAOYSA-N -1 1 296.330 1.646 20 0 CDADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)C1CCCC1 ZINC000095175738 1166604882 /nfs/dbraw/zinc/60/48/82/1166604882.db2.gz MPWUWPPYHCRHSQ-UHFFFAOYSA-N -1 1 287.323 1.907 20 0 CDADMM CCOC(=O)CSc1cccc(F)c1-c1nn[n-]n1 ZINC000095174915 1166605089 /nfs/dbraw/zinc/60/50/89/1166605089.db2.gz ITWSDCPMCOGWQU-UHFFFAOYSA-N -1 1 282.300 1.661 20 0 CDADMM CCN(Cc1cccs1)c1cnc(-c2nnn[n-]2)cn1 ZINC000095279967 1166617694 /nfs/dbraw/zinc/61/76/94/1166617694.db2.gz PCPJOJPJFGXEOS-UHFFFAOYSA-N -1 1 287.352 1.745 20 0 CDADMM CCN(Cc1cccs1)c1cnc(-c2nn[n-]n2)cn1 ZINC000095279967 1166617699 /nfs/dbraw/zinc/61/76/99/1166617699.db2.gz PCPJOJPJFGXEOS-UHFFFAOYSA-N -1 1 287.352 1.745 20 0 CDADMM COc1cccc2[nH]c(C(=O)Nc3c[n-][nH]c3=O)cc21 ZINC001638740848 1166869203 /nfs/dbraw/zinc/86/92/03/1166869203.db2.gz SWXOWNLMYBGFDL-UHFFFAOYSA-N -1 1 272.264 1.858 20 0 CDADMM O=C(N[C@@H]1CCOC[C@@H]1F)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155275640 1167114289 /nfs/dbraw/zinc/11/42/89/1167114289.db2.gz AODBQRAYAOAFRK-VHSXEESVSA-N -1 1 279.271 1.125 20 0 CDADMM Cc1cc(C=O)c([O-])c(C(=O)NCC2([S@](C)=O)CC2)c1 ZINC001155352665 1167138926 /nfs/dbraw/zinc/13/89/26/1167138926.db2.gz BUCNYCDQWYSHPA-FQEVSTJZSA-N -1 1 295.360 1.154 20 0 CDADMM O=C(Nc1ccccc1-c1nn[nH]n1)c1ccc(F)c([O-])c1 ZINC001642875031 1167208173 /nfs/dbraw/zinc/20/81/73/1167208173.db2.gz FHOUYDDAEXBPHR-UHFFFAOYSA-N -1 1 299.265 1.964 20 0 CDADMM CC[C@@H]1[C@@H](C)CCN1c1nnc(Cc2nnn[n-]2)n1CC ZINC001647704736 1169031533 /nfs/dbraw/zinc/03/15/33/1169031533.db2.gz IMCIUWRELNTFFI-VHSXEESVSA-N -1 1 290.375 1.027 20 0 CDADMM CC[C@@H]1[C@@H](C)CCN1c1nnc(Cc2nn[n-]n2)n1CC ZINC001647704736 1169031544 /nfs/dbraw/zinc/03/15/44/1169031544.db2.gz IMCIUWRELNTFFI-VHSXEESVSA-N -1 1 290.375 1.027 20 0 CDADMM Cc1ccc([C@H](C)NC(=O)COCc2nn[n-]n2)cc1C ZINC001650013465 1169606005 /nfs/dbraw/zinc/60/60/05/1169606005.db2.gz WRIDZSPCKMJDBP-NSHDSACASA-N -1 1 289.339 1.211 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)[C@H]3[C@@H]4C(=O)CC[C@H]34)[nH]c21 ZINC001574415319 1170976825 /nfs/dbraw/zinc/97/68/25/1170976825.db2.gz OLTVRULZUOVHBK-NRZXQICZSA-N -1 1 299.286 1.425 20 0 CDADMM C[C@@H]1C[N@@H+](CCN(C)Cc2ccc(C(=O)[O-])[nH]2)C[C@H](C)O1 ZINC001574666230 1170999280 /nfs/dbraw/zinc/99/92/80/1170999280.db2.gz RETKSAVRDQVXGC-TXEJJXNPSA-N -1 1 295.383 1.254 20 0 CDADMM C[C@@H]1CN(CCN(C)Cc2ccc(C(=O)[O-])[nH]2)C[C@H](C)O1 ZINC001574666230 1170999291 /nfs/dbraw/zinc/99/92/91/1170999291.db2.gz RETKSAVRDQVXGC-TXEJJXNPSA-N -1 1 295.383 1.254 20 0 CDADMM O=C([O-])c1cc(NC(=O)c2c(O)cccc2Cl)[nH]n1 ZINC001574790196 1171008318 /nfs/dbraw/zinc/00/83/18/1171008318.db2.gz OUZDYKPTVVZHGX-UHFFFAOYSA-N -1 1 281.655 1.719 20 0 CDADMM CC1(CCC(=O)NCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001575768248 1171267000 /nfs/dbraw/zinc/26/70/00/1171267000.db2.gz MCKWVQRYUYPGPF-UHFFFAOYSA-N -1 1 286.339 1.458 20 0 CDADMM CC1(CCC(=O)NCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001575768248 1171267007 /nfs/dbraw/zinc/26/70/07/1171267007.db2.gz MCKWVQRYUYPGPF-UHFFFAOYSA-N -1 1 286.339 1.458 20 0 CDADMM Cc1c(C(=O)Nc2c[n-][nH]c2=O)cnn1-c1ccccc1 ZINC001651044692 1171280850 /nfs/dbraw/zinc/28/08/50/1171280850.db2.gz VEGZOJUOSQOHNL-UHFFFAOYSA-N -1 1 283.291 1.862 20 0 CDADMM CCOc1ccc(C(=O)NCc2n[n-]c(=S)n2C)cn1 ZINC000066625601 1171397003 /nfs/dbraw/zinc/39/70/03/1171397003.db2.gz SYOPSPWYQRBQMK-UHFFFAOYSA-N -1 1 293.352 1.201 20 0 CDADMM Cc1noc([N-]C(=O)c2cn(CCc3ccccc3)nn2)n1 ZINC001654226788 1171599112 /nfs/dbraw/zinc/59/91/12/1171599112.db2.gz SHRLQAXJVCYATH-UHFFFAOYSA-N -1 1 298.306 1.465 20 0 CDADMM Cc1coc(COC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1 ZINC001581368883 1172606097 /nfs/dbraw/zinc/60/60/97/1172606097.db2.gz ZMPLLWGUDZEWPT-UHFFFAOYSA-N -1 1 299.290 1.449 20 0 CDADMM Cc1coc(COC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1 ZINC001581368883 1172606103 /nfs/dbraw/zinc/60/61/03/1172606103.db2.gz ZMPLLWGUDZEWPT-UHFFFAOYSA-N -1 1 299.290 1.449 20 0 CDADMM Fc1ccccc1[C@@H]1C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001581855765 1172625184 /nfs/dbraw/zinc/62/51/84/1172625184.db2.gz MCMYWGWLAJGCLE-GXSJLCMTSA-N -1 1 297.297 1.764 20 0 CDADMM Fc1ccccc1[C@@H]1C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001581855765 1172625188 /nfs/dbraw/zinc/62/51/88/1172625188.db2.gz MCMYWGWLAJGCLE-GXSJLCMTSA-N -1 1 297.297 1.764 20 0 CDADMM C=COc1ccc(Nc2nccnc2-c2nnn[n-]2)cc1 ZINC001588716812 1173099820 /nfs/dbraw/zinc/09/98/20/1173099820.db2.gz NAQNHBPQTFPZAC-UHFFFAOYSA-N -1 1 281.279 1.923 20 0 CDADMM C=COc1ccc(Nc2nccnc2-c2nn[n-]n2)cc1 ZINC001588716812 1173099826 /nfs/dbraw/zinc/09/98/26/1173099826.db2.gz NAQNHBPQTFPZAC-UHFFFAOYSA-N -1 1 281.279 1.923 20 0 CDADMM CC(C)(C)C1CC(Nc2ncncc2-c2nn[n-]n2)C1 ZINC001589099623 1173123846 /nfs/dbraw/zinc/12/38/46/1173123846.db2.gz PPAOJDDXHZSWHA-UHFFFAOYSA-N -1 1 273.344 1.893 20 0 CDADMM CC(C)[C@@H](Nc1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001589475775 1173146692 /nfs/dbraw/zinc/14/66/92/1173146692.db2.gz KBCHAPBDGTWYKV-SNVBAGLBSA-N -1 1 299.342 1.199 20 0 CDADMM CC(C)[C@@H](Nc1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001589475775 1173146701 /nfs/dbraw/zinc/14/67/01/1173146701.db2.gz KBCHAPBDGTWYKV-SNVBAGLBSA-N -1 1 299.342 1.199 20 0 CDADMM CC(C)[C@H]1CCCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589508875 1173153806 /nfs/dbraw/zinc/15/38/06/1173153806.db2.gz KDXLMIFRMBLYBE-GFCCVEGCSA-N -1 1 286.339 1.522 20 0 CDADMM CC(C)[C@H]1CCCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589508875 1173153808 /nfs/dbraw/zinc/15/38/08/1173153808.db2.gz KDXLMIFRMBLYBE-GFCCVEGCSA-N -1 1 286.339 1.522 20 0 CDADMM CC(C)CCN(C)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589600729 1173159754 /nfs/dbraw/zinc/15/97/54/1173159754.db2.gz UVRAEECZQKRDBR-UHFFFAOYSA-N -1 1 274.328 1.380 20 0 CDADMM CC(C)CCN(C)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589600729 1173159758 /nfs/dbraw/zinc/15/97/58/1173159758.db2.gz UVRAEECZQKRDBR-UHFFFAOYSA-N -1 1 274.328 1.380 20 0 CDADMM C[C@@H](CCO)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001589834145 1173189740 /nfs/dbraw/zinc/18/97/40/1173189740.db2.gz CJARRDCILAFEMF-BYPYZUCNSA-N -1 1 274.737 1.159 20 0 CDADMM C[C@H](CNc1ccnc(-c2nnn[n-]2)c1)c1nccs1 ZINC001589878472 1173193159 /nfs/dbraw/zinc/19/31/59/1173193159.db2.gz KTMVUJFATJUDEE-MRVPVSSYSA-N -1 1 287.352 1.356 20 0 CDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)c1)c1nccs1 ZINC001589878472 1173193163 /nfs/dbraw/zinc/19/31/63/1173193163.db2.gz KTMVUJFATJUDEE-MRVPVSSYSA-N -1 1 287.352 1.356 20 0 CDADMM C[C@@H](Cc1cnn(C)c1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589904300 1173199769 /nfs/dbraw/zinc/19/97/69/1173199769.db2.gz LIPSXXINQUTDNQ-VIFPVBQESA-N -1 1 284.327 1.038 20 0 CDADMM C[C@@H](Cc1cnn(C)c1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589904300 1173199774 /nfs/dbraw/zinc/19/97/74/1173199774.db2.gz LIPSXXINQUTDNQ-VIFPVBQESA-N -1 1 284.327 1.038 20 0 CDADMM CC1(C)CC[C@@H]1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590092320 1173255278 /nfs/dbraw/zinc/25/52/78/1173255278.db2.gz GQSDYQUFBHWMGO-VIFPVBQESA-N -1 1 261.285 1.378 20 0 CDADMM CC1(C)CC[C@@H]1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590092320 1173255284 /nfs/dbraw/zinc/25/52/84/1173255284.db2.gz GQSDYQUFBHWMGO-VIFPVBQESA-N -1 1 261.285 1.378 20 0 CDADMM CC1(CCNC(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001590128347 1173264834 /nfs/dbraw/zinc/26/48/34/1173264834.db2.gz WHNGYUCZFHJIMX-UHFFFAOYSA-N -1 1 261.285 1.380 20 0 CDADMM CC1(CCNC(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001590128347 1173264838 /nfs/dbraw/zinc/26/48/38/1173264838.db2.gz WHNGYUCZFHJIMX-UHFFFAOYSA-N -1 1 261.285 1.380 20 0 CDADMM CC1=C(C)CN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001590158388 1173274262 /nfs/dbraw/zinc/27/42/62/1173274262.db2.gz YGFNBDIODJVGJU-UHFFFAOYSA-N -1 1 257.301 1.203 20 0 CDADMM CC1=C(C)CN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001590158388 1173274267 /nfs/dbraw/zinc/27/42/67/1173274267.db2.gz YGFNBDIODJVGJU-UHFFFAOYSA-N -1 1 257.301 1.203 20 0 CDADMM CC1=NO[C@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001590160623 1173279587 /nfs/dbraw/zinc/27/95/87/1173279587.db2.gz AUYKLDHPFWDKGE-YFKPBYRVSA-N -1 1 299.747 1.553 20 0 CDADMM C[C@@H]1CC=C(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590217759 1173298659 /nfs/dbraw/zinc/29/86/59/1173298659.db2.gz DZXGOUQZXLWIHK-SNVBAGLBSA-N -1 1 298.350 1.624 20 0 CDADMM C[C@@H]1CC=C(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590217759 1173298665 /nfs/dbraw/zinc/29/86/65/1173298665.db2.gz DZXGOUQZXLWIHK-SNVBAGLBSA-N -1 1 298.350 1.624 20 0 CDADMM C[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCC1(F)F ZINC001590315671 1173351980 /nfs/dbraw/zinc/35/19/80/1173351980.db2.gz HLQQTYCDDNMPOS-ZETCQYMHSA-N -1 1 281.270 1.138 20 0 CDADMM C[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCC1(F)F ZINC001590315671 1173351986 /nfs/dbraw/zinc/35/19/86/1173351986.db2.gz HLQQTYCDDNMPOS-ZETCQYMHSA-N -1 1 281.270 1.138 20 0 CDADMM C[C@H]1CSC[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC001590329807 1173362554 /nfs/dbraw/zinc/36/25/54/1173362554.db2.gz RVOGFOGFZWZQCU-CBAPKCEASA-N -1 1 262.342 1.425 20 0 CDADMM C[C@H]1CSC[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC001590329807 1173362560 /nfs/dbraw/zinc/36/25/60/1173362560.db2.gz RVOGFOGFZWZQCU-CBAPKCEASA-N -1 1 262.342 1.425 20 0 CDADMM CC/C(C)=C/C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001590385721 1173386742 /nfs/dbraw/zinc/38/67/42/1173386742.db2.gz SHGXLWAMSWLFLM-VQHVLOKHSA-N -1 1 272.312 1.581 20 0 CDADMM CC/C(C)=C/C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001590385721 1173386750 /nfs/dbraw/zinc/38/67/50/1173386750.db2.gz SHGXLWAMSWLFLM-VQHVLOKHSA-N -1 1 272.312 1.581 20 0 CDADMM CC[C@@H](C)COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590411184 1173400243 /nfs/dbraw/zinc/40/02/43/1173400243.db2.gz UXZYXLBYCVWIHB-MRVPVSSYSA-N -1 1 261.285 1.465 20 0 CDADMM CC[C@@H](C)COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590411184 1173400248 /nfs/dbraw/zinc/40/02/48/1173400248.db2.gz UXZYXLBYCVWIHB-MRVPVSSYSA-N -1 1 261.285 1.465 20 0 CDADMM CC[C@H](COC)Nc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001590447715 1173411943 /nfs/dbraw/zinc/41/19/43/1173411943.db2.gz DKRFKLRJRTYZBB-SECBINFHSA-N -1 1 262.317 1.407 20 0 CDADMM CC[C@H](COC)Nc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001590447715 1173411946 /nfs/dbraw/zinc/41/19/46/1173411946.db2.gz DKRFKLRJRTYZBB-SECBINFHSA-N -1 1 262.317 1.407 20 0 CDADMM CC[C@H](Nc1cc(C)nc(-c2nnn[n-]2)c1)C1CC1 ZINC001590472618 1173425828 /nfs/dbraw/zinc/42/58/28/1173425828.db2.gz VAGXPGAKHSOENB-NSHDSACASA-N -1 1 258.329 1.593 20 0 CDADMM CC[C@H](Nc1cc(C)nc(-c2nn[n-]n2)c1)C1CC1 ZINC001590472618 1173425832 /nfs/dbraw/zinc/42/58/32/1173425832.db2.gz VAGXPGAKHSOENB-NSHDSACASA-N -1 1 258.329 1.593 20 0 CDADMM CCc1[n-]n(-c2ccc(-c3nn[nH]n3)cn2)c(=O)c1C(C)C ZINC001590498634 1173438066 /nfs/dbraw/zinc/43/80/66/1173438066.db2.gz AZIGGBPUHWXYGH-GFCCVEGCSA-N -1 1 299.338 1.647 20 0 CDADMM CC[C@H]1CCN1c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590517241 1173447246 /nfs/dbraw/zinc/44/72/46/1173447246.db2.gz MKDBXIOLGQULOR-VIFPVBQESA-N -1 1 271.328 1.523 20 0 CDADMM CC[C@H]1CCN1c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590517241 1173447248 /nfs/dbraw/zinc/44/72/48/1173447248.db2.gz MKDBXIOLGQULOR-VIFPVBQESA-N -1 1 271.328 1.523 20 0 CDADMM CC[C@@H]1CN(c2cc(C)cc(-c3nnn[n-]3)n2)CCS1 ZINC001590521588 1173449610 /nfs/dbraw/zinc/44/96/10/1173449610.db2.gz MHZLSPFVKNXXRZ-SNVBAGLBSA-N -1 1 290.396 1.902 20 0 CDADMM CC[C@@H]1CN(c2cc(C)cc(-c3nn[n-]n3)n2)CCS1 ZINC001590521588 1173449613 /nfs/dbraw/zinc/44/96/13/1173449613.db2.gz MHZLSPFVKNXXRZ-SNVBAGLBSA-N -1 1 290.396 1.902 20 0 CDADMM CCC[C@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)CCO1 ZINC001590571405 1173466346 /nfs/dbraw/zinc/46/63/46/1173466346.db2.gz AVFALCPWDKKLME-JTQLQIEISA-N -1 1 291.311 1.101 20 0 CDADMM CCC[C@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)CCO1 ZINC001590571405 1173466354 /nfs/dbraw/zinc/46/63/54/1173466354.db2.gz AVFALCPWDKKLME-JTQLQIEISA-N -1 1 291.311 1.101 20 0 CDADMM CCC[C@@H]1C[C@H]1Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001590654272 1173483565 /nfs/dbraw/zinc/48/35/65/1173483565.db2.gz VPRFJSTTXSGKJP-RKDXNWHRSA-N -1 1 273.344 1.820 20 0 CDADMM CCC[C@@H]1C[C@H]1Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001590654272 1173483567 /nfs/dbraw/zinc/48/35/67/1173483567.db2.gz VPRFJSTTXSGKJP-RKDXNWHRSA-N -1 1 273.344 1.820 20 0 CDADMM CCN(Cc1ccccn1)c1ccnc(-c2nn[n-]n2)n1 ZINC001590721236 1173500527 /nfs/dbraw/zinc/50/05/27/1173500527.db2.gz AXLINMRBVONEBY-UHFFFAOYSA-N -1 1 282.311 1.078 20 0 CDADMM CCc1nc(NC2CCCCC2)cc(-c2nnn[n-]2)n1 ZINC001590916359 1173541610 /nfs/dbraw/zinc/54/16/10/1173541610.db2.gz LWUODFQQDMWVIV-UHFFFAOYSA-N -1 1 273.344 1.964 20 0 CDADMM CCc1nc(NC2CCCCC2)cc(-c2nn[n-]n2)n1 ZINC001590916359 1173541612 /nfs/dbraw/zinc/54/16/12/1173541612.db2.gz LWUODFQQDMWVIV-UHFFFAOYSA-N -1 1 273.344 1.964 20 0 CDADMM CCc1nocc1CN(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC001590935432 1173548468 /nfs/dbraw/zinc/54/84/68/1173548468.db2.gz FITJQLKFEYDDDE-UHFFFAOYSA-N -1 1 288.311 1.642 20 0 CDADMM CCc1nocc1CN(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC001590935432 1173548470 /nfs/dbraw/zinc/54/84/70/1173548470.db2.gz FITJQLKFEYDDDE-UHFFFAOYSA-N -1 1 288.311 1.642 20 0 CDADMM CCn1nnnc1SCc1ccc(-c2nn[n-]n2)s1 ZINC001590972506 1173555459 /nfs/dbraw/zinc/55/54/59/1173555459.db2.gz ZIIGYOHEIVBUEZ-UHFFFAOYSA-N -1 1 294.369 1.227 20 0 CDADMM CO[C@@](C)(CNc1nc(-c2nn[n-]n2)ccc1C)C1CC1 ZINC001591318790 1173604674 /nfs/dbraw/zinc/60/46/74/1173604674.db2.gz WIFMANUZSITDQZ-AWEZNQCLSA-N -1 1 288.355 1.797 20 0 CDADMM CO[C@](C)([C@H](C)Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001591318742 1173605173 /nfs/dbraw/zinc/60/51/73/1173605173.db2.gz VPYHDYXJKWIWCO-ISVAXAHUSA-N -1 1 289.343 1.272 20 0 CDADMM CO[C@](C)([C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001591318742 1173605177 /nfs/dbraw/zinc/60/51/77/1173605177.db2.gz VPYHDYXJKWIWCO-ISVAXAHUSA-N -1 1 289.343 1.272 20 0 CDADMM CO[C@@H](C)CN(C)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC001591323057 1173610899 /nfs/dbraw/zinc/61/08/99/1173610899.db2.gz LXXIRJCYOKNOBK-VIFPVBQESA-N -1 1 299.338 1.281 20 0 CDADMM CO[C@@H](C)CN(C)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC001591323057 1173610903 /nfs/dbraw/zinc/61/09/03/1173610903.db2.gz LXXIRJCYOKNOBK-VIFPVBQESA-N -1 1 299.338 1.281 20 0 CDADMM CO[C@@H](COC(=O)c1cccc(-c2nnn[n-]2)n1)C(C)C ZINC001591335516 1173615017 /nfs/dbraw/zinc/61/50/17/1173615017.db2.gz ONHSPUHJLQOYCO-NSHDSACASA-N -1 1 291.311 1.090 20 0 CDADMM CO[C@@H](COC(=O)c1cccc(-c2nn[n-]n2)n1)C(C)C ZINC001591335516 1173615021 /nfs/dbraw/zinc/61/50/21/1173615021.db2.gz ONHSPUHJLQOYCO-NSHDSACASA-N -1 1 291.311 1.090 20 0 CDADMM CO[C@@H]1CC[C@@H]1N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001591354159 1173624557 /nfs/dbraw/zinc/62/45/57/1173624557.db2.gz NDTPCZPVIOMQIK-JGVFFNPUSA-N -1 1 280.357 1.245 20 0 CDADMM COC[C@H](Cn1cc(C)cc(-c2nn[n-]n2)c1=O)C(C)C ZINC001591380021 1173638335 /nfs/dbraw/zinc/63/83/35/1173638335.db2.gz XBVILSQJFMOAJL-NSHDSACASA-N -1 1 291.355 1.255 20 0 CDADMM COCC1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001591392177 1173642756 /nfs/dbraw/zinc/64/27/56/1173642756.db2.gz HZOVYAHUJTXASI-UHFFFAOYSA-N -1 1 289.343 1.274 20 0 CDADMM COCC1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001591392177 1173642760 /nfs/dbraw/zinc/64/27/60/1173642760.db2.gz HZOVYAHUJTXASI-UHFFFAOYSA-N -1 1 289.343 1.274 20 0 CDADMM C[C@]12CN(c3cc(-c4nnn[n-]4)ncn3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001591780335 1173701235 /nfs/dbraw/zinc/70/12/35/1173701235.db2.gz KKQIFNODBVSBRA-BQVMBELUSA-N -1 1 297.366 1.529 20 0 CDADMM C[C@]12CN(c3cc(-c4nn[n-]n4)ncn3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001591780335 1173701238 /nfs/dbraw/zinc/70/12/38/1173701238.db2.gz KKQIFNODBVSBRA-BQVMBELUSA-N -1 1 297.366 1.529 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H](C)C2(C)CC2)n1 ZINC001591883018 1173734603 /nfs/dbraw/zinc/73/46/03/1173734603.db2.gz MIZIOGSGMDDIPX-VIFPVBQESA-N -1 1 273.344 1.590 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H](C)C2(C)CC2)n1 ZINC001591883018 1173734607 /nfs/dbraw/zinc/73/46/07/1173734607.db2.gz MIZIOGSGMDDIPX-VIFPVBQESA-N -1 1 273.344 1.590 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](CC(C)C)C2)n1 ZINC001591885549 1173738298 /nfs/dbraw/zinc/73/82/98/1173738298.db2.gz RYGLSHXIHVDDBU-LLVKDONJSA-N -1 1 287.371 1.838 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](CC(C)C)C2)n1 ZINC001591885549 1173738299 /nfs/dbraw/zinc/73/82/99/1173738299.db2.gz RYGLSHXIHVDDBU-LLVKDONJSA-N -1 1 287.371 1.838 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCCC[C@@H]2CCOC2)n1 ZINC001591899192 1173743741 /nfs/dbraw/zinc/74/37/41/1173743741.db2.gz YXDLKZGKGOVJMK-SNVBAGLBSA-N -1 1 289.343 1.194 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCCC[C@@H]2CCOC2)n1 ZINC001591899192 1173743746 /nfs/dbraw/zinc/74/37/46/1173743746.db2.gz YXDLKZGKGOVJMK-SNVBAGLBSA-N -1 1 289.343 1.194 20 0 CDADMM Cc1nc(Sc2nc(C)cc(-c3nnn[n-]3)n2)oc1C ZINC001591902910 1173745054 /nfs/dbraw/zinc/74/50/54/1173745054.db2.gz BBGIMKXMQVMHAT-UHFFFAOYSA-N -1 1 289.324 1.721 20 0 CDADMM Cc1nc(Sc2nc(C)cc(-c3nn[n-]n3)n2)oc1C ZINC001591902910 1173745064 /nfs/dbraw/zinc/74/50/64/1173745064.db2.gz BBGIMKXMQVMHAT-UHFFFAOYSA-N -1 1 289.324 1.721 20 0 CDADMM Cc1cc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c(C)o1 ZINC001591932570 1173746664 /nfs/dbraw/zinc/74/66/64/1173746664.db2.gz FASAIIUUZLCGBE-UHFFFAOYSA-N -1 1 273.256 1.052 20 0 CDADMM Cc1cc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c(C)o1 ZINC001591932570 1173746666 /nfs/dbraw/zinc/74/66/66/1173746666.db2.gz FASAIIUUZLCGBE-UHFFFAOYSA-N -1 1 273.256 1.052 20 0 CDADMM Cc1[nH]nc(NC(=O)c2cc(C)cc(C)c2)c1-c1nn[n-]n1 ZINC001591951525 1173752945 /nfs/dbraw/zinc/75/29/45/1173752945.db2.gz AZGZXYYNMYEZKV-UHFFFAOYSA-N -1 1 297.322 1.767 20 0 CDADMM Cc1cc(N(C)Cc2cscn2)cc(-c2nnn[n-]2)n1 ZINC001591998072 1173766588 /nfs/dbraw/zinc/76/65/88/1173766588.db2.gz AUBUYHHEZLUKNF-UHFFFAOYSA-N -1 1 287.352 1.663 20 0 CDADMM Cc1cc(N(C)Cc2cscn2)cc(-c2nn[n-]n2)n1 ZINC001591998072 1173766592 /nfs/dbraw/zinc/76/65/92/1173766592.db2.gz AUBUYHHEZLUKNF-UHFFFAOYSA-N -1 1 287.352 1.663 20 0 CDADMM Cc1cc(NC(C2CC2)C2CC2)cc(-c2nnn[n-]2)n1 ZINC001592033124 1173776920 /nfs/dbraw/zinc/77/69/20/1173776920.db2.gz BENPOMMZGIIPCP-UHFFFAOYSA-N -1 1 270.340 1.593 20 0 CDADMM Cc1cc(NC(C2CC2)C2CC2)cc(-c2nn[n-]n2)n1 ZINC001592033124 1173776925 /nfs/dbraw/zinc/77/69/25/1173776925.db2.gz BENPOMMZGIIPCP-UHFFFAOYSA-N -1 1 270.340 1.593 20 0 CDADMM Cc1cc(OCc2ccc(-c3nnn[n-]3)o2)ccc1C(N)=O ZINC001592058788 1173791381 /nfs/dbraw/zinc/79/13/81/1173791381.db2.gz HHEDQIZRCTXLBG-UHFFFAOYSA-N -1 1 299.290 1.446 20 0 CDADMM Cc1cc(OCc2ccc(-c3nn[n-]n3)o2)ccc1C(N)=O ZINC001592058788 1173791386 /nfs/dbraw/zinc/79/13/86/1173791386.db2.gz HHEDQIZRCTXLBG-UHFFFAOYSA-N -1 1 299.290 1.446 20 0 CDADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCC[C@@H]1C[C@H](C)O ZINC001592110356 1173802900 /nfs/dbraw/zinc/80/29/00/1173802900.db2.gz MMDVBEHAIJQFSZ-WDEREUQCSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC[C@@H]1C[C@H](C)O ZINC001592110356 1173802904 /nfs/dbraw/zinc/80/29/04/1173802904.db2.gz MMDVBEHAIJQFSZ-WDEREUQCSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1[nH]nc(NC(=O)c2ccc(C)nc2C)c1-c1nn[n-]n1 ZINC001592129545 1173808046 /nfs/dbraw/zinc/80/80/46/1173808046.db2.gz LEFJOWBZCTUPLB-UHFFFAOYSA-N -1 1 298.310 1.162 20 0 CDADMM Cc1ccc(CCNc2cc(-c3nnn[n-]3)nc(C)n2)nc1 ZINC001592150989 1173810856 /nfs/dbraw/zinc/81/08/56/1173810856.db2.gz AVDJWXIDRZGRKP-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1ccc(CCNc2cc(-c3nn[n-]n3)nc(C)n2)nc1 ZINC001592150989 1173810861 /nfs/dbraw/zinc/81/08/61/1173810861.db2.gz AVDJWXIDRZGRKP-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1ccc(CNc2cncc(-c3nnn[n-]3)n2)s1 ZINC001592167863 1173821488 /nfs/dbraw/zinc/82/14/88/1173821488.db2.gz VHILHZKILFYUDG-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1ccc(CNc2cncc(-c3nn[n-]n3)n2)s1 ZINC001592167863 1173821492 /nfs/dbraw/zinc/82/14/92/1173821492.db2.gz VHILHZKILFYUDG-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1ccc(N2C[C@H](C)[C@@](C)(CO)C2)nc1-c1nnn[n-]1 ZINC001592174415 1173823229 /nfs/dbraw/zinc/82/32/29/1173823229.db2.gz DKNBZNFPIJKBNP-IINYFYTJSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(N2C[C@H](C)[C@@](C)(CO)C2)nc1-c1nn[n-]n1 ZINC001592174415 1173823232 /nfs/dbraw/zinc/82/32/32/1173823232.db2.gz DKNBZNFPIJKBNP-IINYFYTJSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(NC[C@H]2CCOC2(C)C)c(-c2nnn[n-]2)n1 ZINC001592182977 1173826379 /nfs/dbraw/zinc/82/63/79/1173826379.db2.gz HXWNSORXNBWTRX-SNVBAGLBSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(NC[C@H]2CCOC2(C)C)c(-c2nn[n-]n2)n1 ZINC001592182977 1173826381 /nfs/dbraw/zinc/82/63/81/1173826381.db2.gz HXWNSORXNBWTRX-SNVBAGLBSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(N[C@@H](CO)CC2CCC2)nc1-c1nnn[n-]1 ZINC001592184950 1173828054 /nfs/dbraw/zinc/82/80/54/1173828054.db2.gz YZWJOUFINIBJEB-LLVKDONJSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(N[C@@H](CO)CC2CCC2)nc1-c1nn[n-]n1 ZINC001592184950 1173828057 /nfs/dbraw/zinc/82/80/57/1173828057.db2.gz YZWJOUFINIBJEB-LLVKDONJSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(NCc2ccccc2CO)nc1-c1nnn[n-]1 ZINC001592185308 1173830494 /nfs/dbraw/zinc/83/04/94/1173830494.db2.gz WKIPHMOVSZGYJW-UHFFFAOYSA-N -1 1 296.334 1.675 20 0 CDADMM Cc1ccc(NCc2ccccc2CO)nc1-c1nn[n-]n1 ZINC001592185308 1173830495 /nfs/dbraw/zinc/83/04/95/1173830495.db2.gz WKIPHMOVSZGYJW-UHFFFAOYSA-N -1 1 296.334 1.675 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@]3(CC[C@H](C)C3)C2)n1 ZINC001592338285 1173858324 /nfs/dbraw/zinc/85/83/24/1173858324.db2.gz XYSMKYRPUAXHHV-ZUZCIYMTSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@]3(CC[C@H](C)C3)C2)n1 ZINC001592338285 1173858334 /nfs/dbraw/zinc/85/83/34/1173858334.db2.gz XYSMKYRPUAXHHV-ZUZCIYMTSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@@H]2CC(C)(C)CO2)c1C ZINC001592338979 1173860324 /nfs/dbraw/zinc/86/03/24/1173860324.db2.gz BPYFKFPVEIJLCI-JTQLQIEISA-N -1 1 276.344 1.495 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@@H]2CC(C)(C)CO2)c1C ZINC001592338979 1173860327 /nfs/dbraw/zinc/86/03/27/1173860327.db2.gz BPYFKFPVEIJLCI-JTQLQIEISA-N -1 1 276.344 1.495 20 0 CDADMM Cc1nc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)c(C)o1 ZINC001592350548 1173865540 /nfs/dbraw/zinc/86/55/40/1173865540.db2.gz FTSZJMJRHJLPQK-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1nc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)c(C)o1 ZINC001592350548 1173865546 /nfs/dbraw/zinc/86/55/46/1173865546.db2.gz FTSZJMJRHJLPQK-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1nc(N[C@H]2CCC[C@H](F)C2)cc(-c2nnn[n-]2)n1 ZINC001592382247 1173873014 /nfs/dbraw/zinc/87/30/14/1173873014.db2.gz KRWNUCBZNPRNAO-IUCAKERBSA-N -1 1 277.307 1.658 20 0 CDADMM Cc1nc(N[C@H]2CCC[C@H](F)C2)cc(-c2nn[n-]n2)n1 ZINC001592382247 1173873018 /nfs/dbraw/zinc/87/30/18/1173873018.db2.gz KRWNUCBZNPRNAO-IUCAKERBSA-N -1 1 277.307 1.658 20 0 CDADMM Cc1nc(NCC2=CCCC2)cc(-c2nnn[n-]2)n1 ZINC001592387432 1173876516 /nfs/dbraw/zinc/87/65/16/1173876516.db2.gz HLCNUEZNOFHHPG-UHFFFAOYSA-N -1 1 257.301 1.487 20 0 CDADMM Cc1nc(NCC2=CCCC2)cc(-c2nn[n-]n2)n1 ZINC001592387432 1173876525 /nfs/dbraw/zinc/87/65/25/1173876525.db2.gz HLCNUEZNOFHHPG-UHFFFAOYSA-N -1 1 257.301 1.487 20 0 CDADMM Cc1nccc(NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001592416284 1173883286 /nfs/dbraw/zinc/88/32/86/1173883286.db2.gz KHJHGTVRLJPUDO-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM Cc1nccc(NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001592416284 1173883289 /nfs/dbraw/zinc/88/32/89/1173883289.db2.gz KHJHGTVRLJPUDO-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)Cc1ccncc1 ZINC001592495389 1173904211 /nfs/dbraw/zinc/90/42/11/1173904211.db2.gz MROHQXCURMHELW-UHFFFAOYSA-N -1 1 298.306 1.435 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)Cc1ccncc1 ZINC001592495389 1173904217 /nfs/dbraw/zinc/90/42/17/1173904217.db2.gz MROHQXCURMHELW-UHFFFAOYSA-N -1 1 298.306 1.435 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@@]1(C)CCCO1 ZINC001592503393 1173907546 /nfs/dbraw/zinc/90/75/46/1173907546.db2.gz IEQDGCGJKRBMSE-CYBMUJFWSA-N -1 1 292.295 1.494 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@@]1(C)CCCO1 ZINC001592503393 1173907552 /nfs/dbraw/zinc/90/75/52/1173907552.db2.gz IEQDGCGJKRBMSE-CYBMUJFWSA-N -1 1 292.295 1.494 20 0 CDADMM O=C(C=C1CCC1)OCc1cccnc1-c1nnn[n-]1 ZINC001592791262 1173988139 /nfs/dbraw/zinc/98/81/39/1173988139.db2.gz MYIAVYIUUNRLJV-UHFFFAOYSA-N -1 1 271.280 1.415 20 0 CDADMM O=C(C=C1CCC1)OCc1cccnc1-c1nn[n-]n1 ZINC001592791262 1173988145 /nfs/dbraw/zinc/98/81/45/1173988145.db2.gz MYIAVYIUUNRLJV-UHFFFAOYSA-N -1 1 271.280 1.415 20 0 CDADMM O=C(N[C@]12C[C@H]1CCCC2)c1cccc(-c2nnn[n-]2)n1 ZINC001592962949 1174005782 /nfs/dbraw/zinc/00/57/82/1174005782.db2.gz MKHUKYLGFQEOTH-YMTOWFKASA-N -1 1 284.323 1.324 20 0 CDADMM O=C(N[C@]12C[C@H]1CCCC2)c1cccc(-c2nn[n-]n2)n1 ZINC001592962949 1174005791 /nfs/dbraw/zinc/00/57/91/1174005791.db2.gz MKHUKYLGFQEOTH-YMTOWFKASA-N -1 1 284.323 1.324 20 0 CDADMM O=C(N[C@H]1CC12CCCCC2)c1ccc(-c2nnn[n-]2)o1 ZINC001592967338 1174007672 /nfs/dbraw/zinc/00/76/72/1174007672.db2.gz VGJGMBQFDLYEJE-NSHDSACASA-N -1 1 287.323 1.912 20 0 CDADMM O=C(N[C@H]1CC12CCCCC2)c1ccc(-c2nn[n-]n2)o1 ZINC001592967338 1174007677 /nfs/dbraw/zinc/00/76/77/1174007677.db2.gz VGJGMBQFDLYEJE-NSHDSACASA-N -1 1 287.323 1.912 20 0 CDADMM O=C(Nc1ccsn1)c1ccc(-c2nn[n-]n2)o1 ZINC001593257137 1174043610 /nfs/dbraw/zinc/04/36/10/1174043610.db2.gz QTNCBYFNVGTKHZ-UHFFFAOYSA-N -1 1 262.254 1.169 20 0 CDADMM O=C1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001593394266 1174077512 /nfs/dbraw/zinc/07/75/12/1174077512.db2.gz JFECOYLLZWDZRE-UHFFFAOYSA-N -1 1 284.732 1.146 20 0 CDADMM O=c1c(-c2nn[n-]n2)cn(CCCCF)c2ccccc12 ZINC001593493660 1174087958 /nfs/dbraw/zinc/08/79/58/1174087958.db2.gz AKINKMWCFFIZFX-UHFFFAOYSA-N -1 1 287.298 1.931 20 0 CDADMM O[C@@H](CCNc1cc(-c2nnn[n-]2)ncn1)C1CCCC1 ZINC001593501910 1174091490 /nfs/dbraw/zinc/09/14/90/1174091490.db2.gz PRZHMUFGSJPLEC-NSHDSACASA-N -1 1 289.343 1.010 20 0 CDADMM O[C@@H](CCNc1cc(-c2nn[n-]n2)ncn1)C1CCCC1 ZINC001593501910 1174091497 /nfs/dbraw/zinc/09/14/97/1174091497.db2.gz PRZHMUFGSJPLEC-NSHDSACASA-N -1 1 289.343 1.010 20 0 CDADMM c1cc([C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)ccn1 ZINC001593554131 1174128805 /nfs/dbraw/zinc/12/88/05/1174128805.db2.gz NHODUHNGNAQCSR-NSHDSACASA-N -1 1 294.322 1.046 20 0 CDADMM c1cc([C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)ccn1 ZINC001593554131 1174128808 /nfs/dbraw/zinc/12/88/08/1174128808.db2.gz NHODUHNGNAQCSR-NSHDSACASA-N -1 1 294.322 1.046 20 0 CDADMM c1cc(CNc2ncnc3c2CCC3)cc(-c2nnn[n-]2)n1 ZINC001593556875 1174131509 /nfs/dbraw/zinc/13/15/09/1174131509.db2.gz ABBCKHIMQDNUJQ-UHFFFAOYSA-N -1 1 294.322 1.153 20 0 CDADMM c1cc(CNc2ncnc3c2CCC3)cc(-c2nn[n-]n2)n1 ZINC001593556875 1174131513 /nfs/dbraw/zinc/13/15/13/1174131513.db2.gz ABBCKHIMQDNUJQ-UHFFFAOYSA-N -1 1 294.322 1.153 20 0 CDADMM c1nc(N[C@@]23C[C@@H]2CCCC3)cc(-c2nnn[n-]2)n1 ZINC001593591323 1174159678 /nfs/dbraw/zinc/15/96/78/1174159678.db2.gz NESQNGIDZPHTFW-UFBFGSQYSA-N -1 1 257.301 1.401 20 0 CDADMM c1nc(N[C@@]23C[C@@H]2CCCC3)cc(-c2nn[n-]n2)n1 ZINC001593591323 1174159683 /nfs/dbraw/zinc/15/96/83/1174159683.db2.gz NESQNGIDZPHTFW-UFBFGSQYSA-N -1 1 257.301 1.401 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1N[C@H]1CCOC2(CCC2)C1 ZINC001593595679 1174165095 /nfs/dbraw/zinc/16/50/95/1174165095.db2.gz ULNFSCDAHPWLTJ-VIFPVBQESA-N -1 1 287.327 1.170 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1N[C@H]1CCOC2(CCC2)C1 ZINC001593595679 1174165100 /nfs/dbraw/zinc/16/51/00/1174165100.db2.gz ULNFSCDAHPWLTJ-VIFPVBQESA-N -1 1 287.327 1.170 20 0 CDADMM Cc1cc(-c2nc([C@@H](N)C(C)C)no2)oc1C(=O)[O-] ZINC001600060557 1174349456 /nfs/dbraw/zinc/34/94/56/1174349456.db2.gz COQIPYUWCBFHQO-QMMMGPOBSA-N -1 1 265.269 1.992 20 0 CDADMM Cc1cc(CN)oc1C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001600192367 1174398627 /nfs/dbraw/zinc/39/86/27/1174398627.db2.gz XHGTVYYZZYLXHK-SNVBAGLBSA-N -1 1 280.324 1.277 20 0 CDADMM Cc1cc(CN[C@@H]2C=C[C@H](CO)C2)oc1C(=O)[O-] ZINC001600209993 1174411624 /nfs/dbraw/zinc/41/16/24/1174411624.db2.gz DPOZWZWVNBEAJP-VHSXEESVSA-N -1 1 251.282 1.313 20 0 CDADMM Cc1nc([C@@H]2CCN(Cc3cc(C(=O)[O-])n(C)c3)C2)no1 ZINC001600696343 1174568057 /nfs/dbraw/zinc/56/80/57/1174568057.db2.gz DZPKZCOSESYWOS-LLVKDONJSA-N -1 1 290.323 1.404 20 0 CDADMM Nc1cnc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])cn1 ZINC001601218191 1174795395 /nfs/dbraw/zinc/79/53/95/1174795395.db2.gz HLNNUXLWUDURLC-CYBMUJFWSA-N -1 1 284.319 1.070 20 0 CDADMM O=C([O-])[C@H](CF)NCc1ccc(C(=O)NC2CC2)cc1 ZINC001601433544 1174869247 /nfs/dbraw/zinc/86/92/47/1174869247.db2.gz HUXOJFINEGGZTO-LBPRGKRZSA-N -1 1 280.299 1.091 20 0 CDADMM O=C([O-])[C@@H]1[C@H](CNc2cnccc2-n2cccn2)C1(F)F ZINC001601748154 1174982760 /nfs/dbraw/zinc/98/27/60/1174982760.db2.gz AWDKXCUQZLLWBD-KWQFWETISA-N -1 1 294.261 1.645 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001601760734 1174992716 /nfs/dbraw/zinc/99/27/16/1174992716.db2.gz MFRVBPFZPMCYPD-QWRGUYRKSA-N -1 1 294.355 1.366 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001601760734 1174992722 /nfs/dbraw/zinc/99/27/22/1174992722.db2.gz MFRVBPFZPMCYPD-QWRGUYRKSA-N -1 1 294.355 1.366 20 0 CDADMM O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001601760738 1174994702 /nfs/dbraw/zinc/99/47/02/1174994702.db2.gz MFRVBPFZPMCYPD-WDEREUQCSA-N -1 1 294.355 1.366 20 0 CDADMM O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001601760738 1174994708 /nfs/dbraw/zinc/99/47/08/1174994708.db2.gz MFRVBPFZPMCYPD-WDEREUQCSA-N -1 1 294.355 1.366 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)CN1C/C=C\c1ccc(Cl)cc1 ZINC001601772562 1174999909 /nfs/dbraw/zinc/99/99/09/1174999909.db2.gz LOKQNYWSBLHFGZ-FEAJGASRSA-N -1 1 281.739 1.873 20 0 CDADMM O=C([O-])[C@H]1CC12CCN(Cc1nccn1CC(F)F)CC2 ZINC001601774776 1175000952 /nfs/dbraw/zinc/00/09/52/1175000952.db2.gz NBSFLROLBIRRHT-SNVBAGLBSA-N -1 1 299.321 1.835 20 0 CDADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1ccccn1)C[C@H]2C(=O)[O-] ZINC001601784240 1175005267 /nfs/dbraw/zinc/00/52/67/1175005267.db2.gz ZKYIPOAUBQVBKW-JYHUIVOISA-N -1 1 290.319 1.079 20 0 CDADMM O=C([O-])C[C@@H]1CCCCN1CN1CC(F)(F)CC1=O ZINC001601949677 1175082707 /nfs/dbraw/zinc/08/27/07/1175082707.db2.gz UNGXTUXKHZZJNF-VIFPVBQESA-N -1 1 276.283 1.141 20 0 CDADMM O=C([O-])C[C@H]1CSCCN1C(=O)c1cnc(C2CC2)[nH]1 ZINC001601968079 1175089571 /nfs/dbraw/zinc/08/95/71/1175089571.db2.gz YGYYAZALLRNYDU-VIFPVBQESA-N -1 1 295.364 1.319 20 0 CDADMM O=C([O-])CC[N@@H+](CC(=O)[O-])Cc1cc(F)ccc1Cl ZINC001602004988 1175108289 /nfs/dbraw/zinc/10/82/89/1175108289.db2.gz RUTQFQXCZDXCAY-UHFFFAOYSA-N -1 1 289.690 1.840 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(Cn3nccc3-c3cccnc3)C[C@@H]21 ZINC001602207222 1175166138 /nfs/dbraw/zinc/16/61/38/1175166138.db2.gz VDGRXZTZEOGOAU-IMRBUKKESA-N -1 1 284.319 1.165 20 0 CDADMM O=C([O-])c1ccc(C(=O)OCc2cc(C3CC3)[nH]n2)cn1 ZINC001602615466 1175324170 /nfs/dbraw/zinc/32/41/70/1175324170.db2.gz HALOUSRBWBIPPW-UHFFFAOYSA-N -1 1 287.275 1.737 20 0 CDADMM C/C(=C\CN[C@H](CCO)c1ccccc1F)C(=O)[O-] ZINC001602974510 1175468577 /nfs/dbraw/zinc/46/85/77/1175468577.db2.gz DIZHKYJAYQJPIS-BCRSCGJKSA-N -1 1 267.300 1.870 20 0 CDADMM CC(=Cc1ccco1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001602985643 1175472172 /nfs/dbraw/zinc/47/21/72/1175472172.db2.gz HPKXZSMCEJNPPK-LRAPTIAOSA-N -1 1 289.291 1.218 20 0 CDADMM CC(C)N(CC(=O)[O-])C(=O)c1ccn(-c2ccncc2)n1 ZINC001603062482 1175484255 /nfs/dbraw/zinc/48/42/55/1175484255.db2.gz JIELKOPYPAGGQE-UHFFFAOYSA-N -1 1 288.307 1.203 20 0 CDADMM CC(C)(C)CCNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603074477 1175486807 /nfs/dbraw/zinc/48/68/07/1175486807.db2.gz LCAHUYRGTORPOW-UHFFFAOYSA-N -1 1 289.343 1.819 20 0 CDADMM CC(C)(C)CCNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603074477 1175486809 /nfs/dbraw/zinc/48/68/09/1175486809.db2.gz LCAHUYRGTORPOW-UHFFFAOYSA-N -1 1 289.343 1.819 20 0 CDADMM CC(C)C(=O)COC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001603192703 1175512129 /nfs/dbraw/zinc/51/21/29/1175512129.db2.gz KGGZKTYHOWZNFD-UHFFFAOYSA-N -1 1 280.309 1.310 20 0 CDADMM CC(C)C(=O)COC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603192703 1175512133 /nfs/dbraw/zinc/51/21/33/1175512133.db2.gz KGGZKTYHOWZNFD-UHFFFAOYSA-N -1 1 280.309 1.310 20 0 CDADMM CC(C)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001603319207 1175538042 /nfs/dbraw/zinc/53/80/42/1175538042.db2.gz PLEBBJXMHZISCO-UHFFFAOYSA-N -1 1 299.331 1.035 20 0 CDADMM CC(C)(C)N1CC[C@H]1C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC001603344123 1175544873 /nfs/dbraw/zinc/54/48/73/1175544873.db2.gz FRJVWKSHGWEOJQ-QWRGUYRKSA-N -1 1 268.357 1.229 20 0 CDADMM C[C@H](CCCCO)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001603472776 1175556481 /nfs/dbraw/zinc/55/64/81/1175556481.db2.gz RMQSYYHKYJGBJR-MRVPVSSYSA-N -1 1 295.368 1.209 20 0 CDADMM C[C@H](CCCCO)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001603472776 1175556484 /nfs/dbraw/zinc/55/64/84/1175556484.db2.gz RMQSYYHKYJGBJR-MRVPVSSYSA-N -1 1 295.368 1.209 20 0 CDADMM C[C@H](Cc1ccco1)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001603585019 1175572923 /nfs/dbraw/zinc/57/29/23/1175572923.db2.gz LSZFCYRGRXYCCQ-SECBINFHSA-N -1 1 298.306 1.216 20 0 CDADMM C[C@H](Cc1ccco1)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001603585019 1175572929 /nfs/dbraw/zinc/57/29/29/1175572929.db2.gz LSZFCYRGRXYCCQ-SECBINFHSA-N -1 1 298.306 1.216 20 0 CDADMM CC1(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CC=CC1 ZINC001603747968 1175614637 /nfs/dbraw/zinc/61/46/37/1175614637.db2.gz BCGASMCAGKJFDD-UHFFFAOYSA-N -1 1 284.323 1.234 20 0 CDADMM CC1(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CC=CC1 ZINC001603747968 1175614638 /nfs/dbraw/zinc/61/46/38/1175614638.db2.gz BCGASMCAGKJFDD-UHFFFAOYSA-N -1 1 284.323 1.234 20 0 CDADMM CC1(C)C[C@H](Sc2cccc(-c3nnn[n-]3)n2)CO1 ZINC001603763852 1175621170 /nfs/dbraw/zinc/62/11/70/1175621170.db2.gz BBMJEDANAWWVMW-QMMMGPOBSA-N -1 1 277.353 1.921 20 0 CDADMM CC1(C)C[C@H](Sc2cccc(-c3nn[n-]n3)n2)CO1 ZINC001603763852 1175621177 /nfs/dbraw/zinc/62/11/77/1175621177.db2.gz BBMJEDANAWWVMW-QMMMGPOBSA-N -1 1 277.353 1.921 20 0 CDADMM CC1(C)CC(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001603763556 1175622392 /nfs/dbraw/zinc/62/23/92/1175622392.db2.gz BSRVAETYZQIVPM-UHFFFAOYSA-N -1 1 286.339 1.109 20 0 CDADMM CC1(C)CC(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001603763556 1175622397 /nfs/dbraw/zinc/62/23/97/1175622397.db2.gz BSRVAETYZQIVPM-UHFFFAOYSA-N -1 1 286.339 1.109 20 0 CDADMM C[C@]1(COC(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@@H]1F ZINC001603807623 1175639069 /nfs/dbraw/zinc/63/90/69/1175639069.db2.gz DNZNHWDQQIRDIT-JOYOIKCWSA-N -1 1 277.259 1.167 20 0 CDADMM C[C@]1(COC(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@@H]1F ZINC001603807623 1175639075 /nfs/dbraw/zinc/63/90/75/1175639075.db2.gz DNZNHWDQQIRDIT-JOYOIKCWSA-N -1 1 277.259 1.167 20 0 CDADMM CC1=NO[C@@H](COC(=O)c2csc(-c3nnn[n-]3)c2)C1 ZINC001603826379 1175645374 /nfs/dbraw/zinc/64/53/74/1175645374.db2.gz KKLSOBYMCSPLLG-MRVPVSSYSA-N -1 1 293.308 1.250 20 0 CDADMM CC1=NO[C@@H](COC(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001603826379 1175645378 /nfs/dbraw/zinc/64/53/78/1175645378.db2.gz KKLSOBYMCSPLLG-MRVPVSSYSA-N -1 1 293.308 1.250 20 0 CDADMM CC(C)Cc1ccc(CNCC(=O)NCC(=O)[O-])cc1 ZINC001603848106 1175653293 /nfs/dbraw/zinc/65/32/93/1175653293.db2.gz XUUJAOFNDIRVFP-UHFFFAOYSA-N -1 1 278.352 1.176 20 0 CDADMM C[C@@H]1C[C@@H](C)N1c1c2ccccc2nnc1-c1nnn[n-]1 ZINC001603847566 1175653421 /nfs/dbraw/zinc/65/34/21/1175653421.db2.gz QJTWJVPRHNLXQU-RKDXNWHRSA-N -1 1 281.323 1.797 20 0 CDADMM C[C@@H]1C[C@@H](C)N1c1c2ccccc2nnc1-c1nn[n-]n1 ZINC001603847566 1175653429 /nfs/dbraw/zinc/65/34/29/1175653429.db2.gz QJTWJVPRHNLXQU-RKDXNWHRSA-N -1 1 281.323 1.797 20 0 CDADMM CC(C)Cc1ccc(CN2C[C@@H](O)C[C@H]2C(=O)[O-])cc1 ZINC001603847940 1175653729 /nfs/dbraw/zinc/65/37/29/1175653729.db2.gz USRKUKMDRWCBAO-GJZGRUSLSA-N -1 1 277.364 1.905 20 0 CDADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC001603870225 1175661998 /nfs/dbraw/zinc/66/19/98/1175661998.db2.gz GFKTYICYUSMTBO-RCWTZXSCSA-N -1 1 270.340 1.966 20 0 CDADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC001603870225 1175662002 /nfs/dbraw/zinc/66/20/02/1175662002.db2.gz GFKTYICYUSMTBO-RCWTZXSCSA-N -1 1 270.340 1.966 20 0 CDADMM C[C@@H]1CC[C@@H](CC(=O)Nc2c[nH]nc2-c2nn[n-]n2)C1 ZINC001603877147 1175665987 /nfs/dbraw/zinc/66/59/87/1175665987.db2.gz XGKWMWXEABYLTA-HTQZYQBOSA-N -1 1 275.316 1.355 20 0 CDADMM C[C@H]1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001603889067 1175671995 /nfs/dbraw/zinc/67/19/95/1175671995.db2.gz FUOLMLVMEJRNAP-IUCAKERBSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@H]1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001603889067 1175672001 /nfs/dbraw/zinc/67/20/01/1175672001.db2.gz FUOLMLVMEJRNAP-IUCAKERBSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC1(C)C ZINC001603903415 1175678967 /nfs/dbraw/zinc/67/89/67/1175678967.db2.gz MYJWXUJSVJEYJH-SECBINFHSA-N -1 1 289.339 1.968 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)CC1(C)C ZINC001603903415 1175678971 /nfs/dbraw/zinc/67/89/71/1175678971.db2.gz MYJWXUJSVJEYJH-SECBINFHSA-N -1 1 289.339 1.968 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H]1C ZINC001603931179 1175691063 /nfs/dbraw/zinc/69/10/63/1175691063.db2.gz MCGPTRZUKDSNCR-RNFRBKRXSA-N -1 1 263.326 1.409 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)[C@@H]1C ZINC001603931179 1175691067 /nfs/dbraw/zinc/69/10/67/1175691067.db2.gz MCGPTRZUKDSNCR-RNFRBKRXSA-N -1 1 263.326 1.409 20 0 CDADMM C[C@H]1[C@@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001603939322 1175692358 /nfs/dbraw/zinc/69/23/58/1175692358.db2.gz LLRBFRPCRFXNDB-IWSPIJDZSA-N -1 1 259.317 1.137 20 0 CDADMM C[C@H]1[C@@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001603939322 1175692363 /nfs/dbraw/zinc/69/23/63/1175692363.db2.gz LLRBFRPCRFXNDB-IWSPIJDZSA-N -1 1 259.317 1.137 20 0 CDADMM C[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001603942092 1175693280 /nfs/dbraw/zinc/69/32/80/1175693280.db2.gz ZCFSHZQSTBZTGU-MRVPVSSYSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001603942092 1175693286 /nfs/dbraw/zinc/69/32/86/1175693286.db2.gz ZCFSHZQSTBZTGU-MRVPVSSYSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@H]1c2sccc2CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001603958298 1175699076 /nfs/dbraw/zinc/69/90/76/1175699076.db2.gz GHHLWWBDTLJEIH-QMMMGPOBSA-N -1 1 299.363 1.842 20 0 CDADMM C[C@H]1c2sccc2CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001603958298 1175699081 /nfs/dbraw/zinc/69/90/81/1175699081.db2.gz GHHLWWBDTLJEIH-QMMMGPOBSA-N -1 1 299.363 1.842 20 0 CDADMM CC(C)[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccccc1)N(C)C ZINC001603965446 1175701985 /nfs/dbraw/zinc/70/19/85/1175701985.db2.gz UQYYPYLINMQDFM-QWHCGFSZSA-N -1 1 279.336 1.942 20 0 CDADMM CC/C(C)=C/C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001603989381 1175708571 /nfs/dbraw/zinc/70/85/71/1175708571.db2.gz CUZHOPYEEREOBU-SOFGYWHQSA-N -1 1 262.269 1.859 20 0 CDADMM CC/C(C)=C/C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001603989381 1175708586 /nfs/dbraw/zinc/70/85/86/1175708586.db2.gz CUZHOPYEEREOBU-SOFGYWHQSA-N -1 1 262.269 1.859 20 0 CDADMM CC(C)c1n[nH]c(NC(=O)c2csc(C(=O)[O-])n2)n1 ZINC001604027073 1175724934 /nfs/dbraw/zinc/72/49/34/1175724934.db2.gz ZTKNDDVXUFSNKW-UHFFFAOYSA-N -1 1 281.297 1.335 20 0 CDADMM CC(C)c1nc(NC(=O)c2csc(C(=O)[O-])n2)n[nH]1 ZINC001604027073 1175724939 /nfs/dbraw/zinc/72/49/39/1175724939.db2.gz ZTKNDDVXUFSNKW-UHFFFAOYSA-N -1 1 281.297 1.335 20 0 CDADMM CC[C@H](CCO)Nc1ccc(C)nc1-c1nnn[n-]1 ZINC001604030451 1175725769 /nfs/dbraw/zinc/72/57/69/1175725769.db2.gz VREDEMVXSWFJTC-SECBINFHSA-N -1 1 262.317 1.143 20 0 CDADMM CC[C@H](CCO)Nc1ccc(C)nc1-c1nn[n-]n1 ZINC001604030451 1175725772 /nfs/dbraw/zinc/72/57/72/1175725772.db2.gz VREDEMVXSWFJTC-SECBINFHSA-N -1 1 262.317 1.143 20 0 CDADMM CC[C@H](Nc1cc(-c2nnn[n-]2)ncn1)C(F)F ZINC001604063782 1175742585 /nfs/dbraw/zinc/74/25/85/1175742585.db2.gz MRFCITOAXRAKBI-YFKPBYRVSA-N -1 1 255.232 1.112 20 0 CDADMM CC[C@H](Nc1cc(-c2nn[n-]n2)ncn1)C(F)F ZINC001604063782 1175742591 /nfs/dbraw/zinc/74/25/91/1175742591.db2.gz MRFCITOAXRAKBI-YFKPBYRVSA-N -1 1 255.232 1.112 20 0 CDADMM CCC1(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001604091623 1175754171 /nfs/dbraw/zinc/75/41/71/1175754171.db2.gz CMDGOCKNNMZRQH-UHFFFAOYSA-N -1 1 292.368 1.670 20 0 CDADMM C=CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC ZINC000147552172 1178080495 /nfs/dbraw/zinc/08/04/95/1178080495.db2.gz RQFBXEDLDLQTTG-UHFFFAOYSA-N -1 1 269.322 1.791 20 0 CDADMM CN(Cc1cnccn1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001771907328 1186943886 /nfs/dbraw/zinc/94/38/86/1186943886.db2.gz SZRJJHNLFCQQCQ-UHFFFAOYSA-N -1 1 285.307 1.122 20 0 CDADMM O=C([O-])C[C@]1(NCc2nc3c(s2)CCC3)CCOC1 ZINC001771907459 1186944663 /nfs/dbraw/zinc/94/46/63/1186944663.db2.gz MJSBTRXJEQWGSD-CYBMUJFWSA-N -1 1 282.365 1.355 20 0 CDADMM C[C@@H](c1ccc(F)cc1)N(C)C(=O)COCc1nn[n-]n1 ZINC001771908850 1186945968 /nfs/dbraw/zinc/94/59/68/1186945968.db2.gz JMDAQCCVSVNJCE-VIFPVBQESA-N -1 1 293.302 1.075 20 0 CDADMM CN(C(=O)Cc1ccn[nH]1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001771918828 1186955937 /nfs/dbraw/zinc/95/59/37/1186955937.db2.gz SFUKWMNMCQJWSP-CYBMUJFWSA-N -1 1 287.319 1.107 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCC[C@H]1C ZINC001606166371 1163793913 /nfs/dbraw/zinc/79/39/13/1163793913.db2.gz 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O=C(NOC1CCCC1)c1csc(-c2nn[n-]n2)c1 ZINC001606863272 1164018012 /nfs/dbraw/zinc/01/80/12/1164018012.db2.gz ULXBNKAHSCZDHV-UHFFFAOYSA-N -1 1 279.325 1.532 20 0 CDADMM COCc1cc(CN[C@H](C[C@H]2CCCOC2)C(=O)[O-])no1 ZINC001606941577 1164034443 /nfs/dbraw/zinc/03/44/43/1164034443.db2.gz JIXJHXFERNSYHS-ZWNOBZJWSA-N -1 1 298.339 1.181 20 0 CDADMM c1ncc(N2CCCCCCC2)nc1-c1nnn[n-]1 ZINC001607138852 1164119826 /nfs/dbraw/zinc/11/98/26/1164119826.db2.gz MQILVHFHOCYIEO-UHFFFAOYSA-N -1 1 259.317 1.427 20 0 CDADMM c1ncc(N2CCCCCCC2)nc1-c1nn[n-]n1 ZINC001607138852 1164119837 /nfs/dbraw/zinc/11/98/37/1164119837.db2.gz MQILVHFHOCYIEO-UHFFFAOYSA-N -1 1 259.317 1.427 20 0 CDADMM COc1nscc1CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC001607363658 1164160477 /nfs/dbraw/zinc/16/04/77/1164160477.db2.gz RJWVNCSBWKHIPL-QMMMGPOBSA-N -1 1 270.354 1.837 20 0 CDADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN(C)[C@H]1CC[C@H](O)CC1 ZINC001607495271 1164206638 /nfs/dbraw/zinc/20/66/38/1164206638.db2.gz KRBNSCOLMZAMSV-XYPYZODXSA-N -1 1 294.351 1.439 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1164642552 /nfs/dbraw/zinc/64/25/52/1164642552.db2.gz RLUOZLZMCOOYKD-UWVGGRQHSA-N -1 1 295.232 1.751 20 0 CDADMM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2cccnc2)c1 ZINC001608850707 1164662941 /nfs/dbraw/zinc/66/29/41/1164662941.db2.gz GHPSMAVXMWHXKK-UHFFFAOYSA-N -1 1 296.279 1.720 20 0 CDADMM O=C([O-])c1ccc(CNC[C@@H]2CN(C3CC3)C(=O)O2)o1 ZINC001608887066 1164676663 /nfs/dbraw/zinc/67/66/63/1164676663.db2.gz YOKZKTLGWMKHSB-SNVBAGLBSA-N -1 1 280.280 1.051 20 0 CDADMM C[C@@H]1Cc2ccccc2N1C(=O)Cc1sc(N)nc1[O-] ZINC000120858662 1164722013 /nfs/dbraw/zinc/72/20/13/1164722013.db2.gz UBEUMVSZHTWOGV-LDYMZIIASA-N -1 1 289.360 1.311 20 0 CDADMM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CCC1 ZINC001609070928 1164757590 /nfs/dbraw/zinc/75/75/90/1164757590.db2.gz ZFNZWOTXHFVJEP-MRVPVSSYSA-N -1 1 272.312 1.636 20 0 CDADMM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CCC1 ZINC001609070928 1164757595 /nfs/dbraw/zinc/75/75/95/1164757595.db2.gz ZFNZWOTXHFVJEP-MRVPVSSYSA-N -1 1 272.312 1.636 20 0 CDADMM CC[C@@H](C)[C@@H](OC)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609185246 1164827514 /nfs/dbraw/zinc/82/75/14/1164827514.db2.gz CRWKFCQIRPDBPY-LDYMZIIASA-N -1 1 290.327 1.261 20 0 CDADMM CC[C@@H](C)[C@@H](OC)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609185246 1164827518 /nfs/dbraw/zinc/82/75/18/1164827518.db2.gz CRWKFCQIRPDBPY-LDYMZIIASA-N -1 1 290.327 1.261 20 0 CDADMM COC[C@H]1CCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001609320150 1164898230 /nfs/dbraw/zinc/89/82/30/1164898230.db2.gz ZEHSXOKUABVLQJ-JTQLQIEISA-N -1 1 274.328 1.125 20 0 CDADMM COC[C@H]1CCCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001609320150 1164898238 /nfs/dbraw/zinc/89/82/38/1164898238.db2.gz ZEHSXOKUABVLQJ-JTQLQIEISA-N -1 1 274.328 1.125 20 0 CDADMM COCC[C@@H](C)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609321620 1164900073 /nfs/dbraw/zinc/90/00/73/1164900073.db2.gz JFTZJWPTUDXSHB-SSDOTTSWSA-N -1 1 281.341 1.083 20 0 CDADMM Cc1cc(NC[C@H]2CC[C@@H](C)O2)cc(-c2nnn[n-]2)n1 ZINC001609409344 1164934256 /nfs/dbraw/zinc/93/42/56/1164934256.db2.gz 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0 CDADMM O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1CC[C@@H](c2nn[n-]n2)C1 ZINC000720626508 940920380 /nfs/dbraw/zinc/92/03/80/940920380.db2.gz DJIPORGKUVUMSQ-WRWGMCAJSA-N -1 1 273.340 1.118 20 0 CDADMM COc1ncc(Nc2[nH]c(=S)[n-]c(=O)c2N=O)cc1O ZINC001216205974 940927814 /nfs/dbraw/zinc/92/78/14/940927814.db2.gz BGTHSFDPXPHLFI-UHFFFAOYSA-N -1 1 295.280 1.722 20 0 CDADMM COc1cnc(F)c(Nc2c(N)[nH]c(=S)[n-]c2=O)c1 ZINC001216407945 940937512 /nfs/dbraw/zinc/93/75/12/940937512.db2.gz VCDQOCMOWPLUCL-UHFFFAOYSA-N -1 1 283.288 1.339 20 0 CDADMM CSc1nc(NC(=O)c2cnc(CN)s2)cc(=O)[n-]1 ZINC001218584336 941241609 /nfs/dbraw/zinc/24/16/09/941241609.db2.gz WWALIIFXXFZGBL-UHFFFAOYSA-N -1 1 297.365 1.072 20 0 CDADMM COc1cc([N-]S(=O)(=O)c2ccc(F)cc2N)ccn1 ZINC000312273562 941346791 /nfs/dbraw/zinc/34/67/91/941346791.db2.gz QOCNRMOKKIUFJI-UHFFFAOYSA-N -1 1 297.311 1.612 20 0 CDADMM CCOC(=O)C[C@H](OCc1nn[n-]n1)c1ccccc1 ZINC001223028983 941651754 /nfs/dbraw/zinc/65/17/54/941651754.db2.gz GBUHBVXIFCFRBM-NSHDSACASA-N -1 1 276.296 1.411 20 0 CDADMM CC(C)(C)OC(=O)N1CC2(CC[C@H]2OCc2nn[n-]n2)C1 ZINC001223029215 941652148 /nfs/dbraw/zinc/65/21/48/941652148.db2.gz HKOKMHHGUJLGJM-SECBINFHSA-N -1 1 295.343 1.116 20 0 CDADMM CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H](OCc2nn[n-]n2)C1 ZINC001223028704 941652261 /nfs/dbraw/zinc/65/22/61/941652261.db2.gz BWIXVGUCRPFFLL-DTORHVGOSA-N -1 1 283.332 1.114 20 0 CDADMM C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2OCCCCP(=O)([O-])O ZINC001225020929 941814358 /nfs/dbraw/zinc/81/43/58/941814358.db2.gz XQQJGFDDEMPSQK-ITGUQSILSA-N -1 1 291.328 1.691 20 0 CDADMM C[NH+]1C[C@H]2CCC[C@@H](C1)[C@H]2OCCCC[P@@](=O)([O-])O ZINC001225020929 941814363 /nfs/dbraw/zinc/81/43/63/941814363.db2.gz XQQJGFDDEMPSQK-ITGUQSILSA-N -1 1 291.328 1.691 20 0 CDADMM CCOC(=O)[C@H](Oc1cc(=O)[n-]c(=S)[nH]1)C1CC1 ZINC001225762853 941909398 /nfs/dbraw/zinc/90/93/98/941909398.db2.gz QNLAIZQGHCXTEO-SECBINFHSA-N -1 1 270.310 1.191 20 0 CDADMM Cc1cn2c(n1)[C@H](Oc1cc(=O)[n-]c(=S)[nH]1)CCC2 ZINC001225766632 941911420 /nfs/dbraw/zinc/91/14/20/941911420.db2.gz WKBLFNARQUATEW-MRVPVSSYSA-N -1 1 278.337 1.890 20 0 CDADMM CCCOC(=O)[C@@H](C)Oc1[n-]c(=S)ncc1OC ZINC001226242995 941974425 /nfs/dbraw/zinc/97/44/25/941974425.db2.gz XIEBUJFELPJTGX-SSDOTTSWSA-N -1 1 272.326 1.494 20 0 CDADMM CC[C@H](C)[C@H](C)Oc1cc(=O)[n-]c(N2CCOCC2)n1 ZINC001226727426 942058717 /nfs/dbraw/zinc/05/87/17/942058717.db2.gz DFUHKQPNZLAGDN-QWRGUYRKSA-N -1 1 281.356 1.832 20 0 CDADMM C[C@H](Oc1[n-]c(=O)ncc1Br)c1cncnc1 ZINC001227136620 942139050 /nfs/dbraw/zinc/13/90/50/942139050.db2.gz BDSNIHXAJLQPTB-LURJTMIESA-N -1 1 297.112 1.875 20 0 CDADMM O=c1[nH]c2[n-]c(O[C@H]3CC4CCC3CC4)nc2c(=O)[nH]1 ZINC001227430127 942175373 /nfs/dbraw/zinc/17/53/73/942175373.db2.gz IOECLYKKFQIUCR-RRQHEKLDSA-N -1 1 276.296 1.722 20 0 CDADMM C[C@@H]1CCC[C@H](Oc2nc3c([n-]2)[nH]c(=O)[nH]c3=O)[C@@H]1C ZINC001227431379 942175760 /nfs/dbraw/zinc/17/57/60/942175760.db2.gz VILHVWRAWMKWGV-PRJMDXOYSA-N -1 1 278.312 1.968 20 0 CDADMM Cc1cnc(F)c([C@@H](C)Oc2nc(=O)[nH]c(=O)[n-]2)c1 ZINC001227569399 942191146 /nfs/dbraw/zinc/19/11/46/942191146.db2.gz AVFDBCXNUHBBPY-ZCFIWIBFSA-N -1 1 266.232 1.265 20 0 CDADMM Cc1cccc2c1[C@H](Oc1nc(=O)[nH]c(=O)[n-]1)CC2 ZINC001227569022 942191180 /nfs/dbraw/zinc/19/11/80/942191180.db2.gz SHLHQPODSZOIOL-SECBINFHSA-N -1 1 259.265 1.658 20 0 CDADMM C[C@@H](Oc1[n-]c(=O)nc2c1COC2)c1ccncc1F ZINC001227686676 942204207 /nfs/dbraw/zinc/20/42/07/942204207.db2.gz UPBUMWJABAAOKR-SSDOTTSWSA-N -1 1 277.255 1.887 20 0 CDADMM COC(=O)c1n[n-]c(O[C@@H](C)c2nccs2)n1 ZINC001228314140 942297551 /nfs/dbraw/zinc/29/75/51/942297551.db2.gz PXWYDIWVRJTZMM-YFKPBYRVSA-N -1 1 254.271 1.188 20 0 CDADMM COC(=O)c1nc(O[C@@H](C)c2nccs2)n[n-]1 ZINC001228314140 942297556 /nfs/dbraw/zinc/29/75/56/942297556.db2.gz PXWYDIWVRJTZMM-YFKPBYRVSA-N -1 1 254.271 1.188 20 0 CDADMM COC(=O)c1n[n-]c(O[C@@H]2CCc3cc(F)ccc32)n1 ZINC001228314687 942297959 /nfs/dbraw/zinc/29/79/59/942297959.db2.gz SQCWSHGAGSZUQA-SNVBAGLBSA-N -1 1 277.255 1.797 20 0 CDADMM COC(=O)c1nc(O[C@@H]2CCc3cc(F)ccc32)n[n-]1 ZINC001228314687 942297961 /nfs/dbraw/zinc/29/79/61/942297961.db2.gz SQCWSHGAGSZUQA-SNVBAGLBSA-N -1 1 277.255 1.797 20 0 CDADMM COC(=O)[C@@H](Oc1cnnc(=S)[n-]1)c1ccccc1F ZINC001228643152 942346589 /nfs/dbraw/zinc/34/65/89/942346589.db2.gz XOKMSRGAGVIKTQ-JTQLQIEISA-N -1 1 295.295 1.593 20 0 CDADMM S=c1nc2ccccc2c(OC[C@H]2COCO2)[n-]1 ZINC001228766403 942372118 /nfs/dbraw/zinc/37/21/18/942372118.db2.gz SARSGDDSKSGBEH-MRVPVSSYSA-N -1 1 264.306 1.670 20 0 CDADMM COc1cc2ccc(=O)oc2c(O[C@@H]2CCOC2=O)c1[O-] ZINC001229219816 942434289 /nfs/dbraw/zinc/43/42/89/942434289.db2.gz XFNBQXMECFDTPR-MRVPVSSYSA-N -1 1 292.243 1.202 20 0 CDADMM COC(=O)c1c[n-]c(=O)nc1O[C@H]1CCC(=O)CC1(C)C ZINC001229871671 942544414 /nfs/dbraw/zinc/54/44/14/942544414.db2.gz AEZDAVPOPGQYFH-JTQLQIEISA-N -1 1 294.307 1.495 20 0 CDADMM COC(=O)c1c[n-]c(O[C@H](CC(C)C)C(=O)OC(C)C)n1 ZINC001230280604 942598902 /nfs/dbraw/zinc/59/89/02/942598902.db2.gz WPZJZJIWFXLESS-LLVKDONJSA-N -1 1 298.339 1.941 20 0 CDADMM CCOC(=O)[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001231459203 942900315 /nfs/dbraw/zinc/90/03/15/942900315.db2.gz VGSOFJNXGTWTCU-LLVKDONJSA-N -1 1 295.310 1.909 20 0 CDADMM CCOC(=O)[C@H]1[C@@H]2CN(Cc3ccc(C(=O)[O-])s3)C[C@@H]21 ZINC001231466463 942904068 /nfs/dbraw/zinc/90/40/68/942904068.db2.gz GEWDKNAJDCPPDT-IAZYJMLFSA-N -1 1 295.360 1.687 20 0 CDADMM CN1CCN(Cc2ccc(Cl)c([O-])c2)CC1=O ZINC001231733059 942991120 /nfs/dbraw/zinc/99/11/20/942991120.db2.gz LDURAYGZGCIMQH-UHFFFAOYSA-N -1 1 254.717 1.320 20 0 CDADMM Cc1cc(C(=O)[O-])ccc1CN1C[C@H]2CN(C)C[C@@H](C1)O2 ZINC001277574778 943024915 /nfs/dbraw/zinc/02/49/15/943024915.db2.gz JDIHUYQWEHHNJU-GASCZTMLSA-N -1 1 290.363 1.208 20 0 CDADMM CN1CCCN(Cc2cccc([O-])c2Cl)CC1=O ZINC001232788323 943393803 /nfs/dbraw/zinc/39/38/03/943393803.db2.gz NAPYPWJOEUYOSJ-UHFFFAOYSA-N -1 1 268.744 1.710 20 0 CDADMM O=C1CCN(Cc2ccc(F)c([O-])c2F)C[C@H]1F ZINC001232937724 943441527 /nfs/dbraw/zinc/44/15/27/943441527.db2.gz SGRORJYPPUUJCS-SECBINFHSA-N -1 1 259.227 1.783 20 0 CDADMM Cc1nnc2n1CCN(Cc1cc([O-])c(F)c(F)c1)C2 ZINC001232973262 943452040 /nfs/dbraw/zinc/45/20/40/943452040.db2.gz QZWDNWYUGOWKFT-UHFFFAOYSA-N -1 1 280.278 1.586 20 0 CDADMM COC(=O)CC1CN(Cc2cc(Cl)ncc2[O-])C1 ZINC001233034182 943469524 /nfs/dbraw/zinc/46/95/24/943469524.db2.gz HMAKLFSXWSGRII-UHFFFAOYSA-N -1 1 270.716 1.436 20 0 CDADMM CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(O)c1F ZINC001233052863 943479696 /nfs/dbraw/zinc/47/96/96/943479696.db2.gz YRRUMZASVWSUKH-VXGBXAGGSA-N -1 1 278.327 1.726 20 0 CDADMM COC(=O)c1cccc2[n-]c(O[C@@H]3CCCOC3)nc21 ZINC001234038684 943723952 /nfs/dbraw/zinc/72/39/52/943723952.db2.gz FWADJVXPIHQMRU-SECBINFHSA-N -1 1 276.292 1.907 20 0 CDADMM COC(=O)c1cccc2nc(O[C@@H]3CCCOC3)[n-]c21 ZINC001234038684 943723955 /nfs/dbraw/zinc/72/39/55/943723955.db2.gz FWADJVXPIHQMRU-SECBINFHSA-N -1 1 276.292 1.907 20 0 CDADMM C[C@@H]1C[C@H](Oc2c(C(N)=O)nc[n-]c2=O)CC(C)(C)C1 ZINC001234468657 943852679 /nfs/dbraw/zinc/85/26/79/943852679.db2.gz RQZJMRNVIAZMNY-BDAKNGLRSA-N -1 1 279.340 1.875 20 0 CDADMM CCC[C@@H](Oc1c(C(N)=O)nc[n-]c1=O)[C@H](C)CC ZINC001234466426 943852784 /nfs/dbraw/zinc/85/27/84/943852784.db2.gz IJCHCIGBEHYAOI-RKDXNWHRSA-N -1 1 267.329 1.875 20 0 CDADMM CCCC[C@@H](C)Oc1c(C(N)=O)nc(C)[n-]c1=O ZINC001234469641 943856398 /nfs/dbraw/zinc/85/63/98/943856398.db2.gz JIQGRWQCUFKTOU-SSDOTTSWSA-N -1 1 253.302 1.547 20 0 CDADMM CC[C@@H](C)CC[C@H](C)Oc1c(C(N)=O)nc[n-]c1=O ZINC001234472771 943859070 /nfs/dbraw/zinc/85/90/70/943859070.db2.gz YNDCEGFMBHNWFJ-BDAKNGLRSA-N -1 1 267.329 1.875 20 0 CDADMM COC(=O)c1nc(C(C)C)[n-]c(=O)c1OC1CCOCC1 ZINC001234554547 943892115 /nfs/dbraw/zinc/89/21/15/943892115.db2.gz NWPINTWPMUSMDL-UHFFFAOYSA-N -1 1 296.323 1.650 20 0 CDADMM Cc1ccc(C(=O)OCc2nn[n-]n2)c(Cl)c1C ZINC001263528339 943892209 /nfs/dbraw/zinc/89/22/09/943892209.db2.gz ASAKIUYJWKPQPH-UHFFFAOYSA-N -1 1 266.688 1.827 20 0 CDADMM Cc1cccc([C@@H]2C[C@H]2C(=O)OCc2nn[n-]n2)c1 ZINC001263528820 943893134 /nfs/dbraw/zinc/89/31/34/943893134.db2.gz OTAUVZVGOJDBSU-WDEREUQCSA-N -1 1 258.281 1.355 20 0 CDADMM CCC(=O)[C@@H](CC)Oc1c(C(N)=O)nc(C(C)C)[n-]c1=O ZINC001234565211 943896358 /nfs/dbraw/zinc/89/63/58/943896358.db2.gz MGUSHCBKJTUESE-SECBINFHSA-N -1 1 295.339 1.541 20 0 CDADMM COC(=O)c1nc(C)[n-]c(=O)c1O[C@@H](C)c1cnccn1 ZINC001234565346 943896574 /nfs/dbraw/zinc/89/65/74/943896574.db2.gz WNQVEPNNBMUKMM-ZETCQYMHSA-N -1 1 290.279 1.207 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N(C)CC(F)F ZINC001263726417 943952347 /nfs/dbraw/zinc/95/23/47/943952347.db2.gz HCMQZJXDWAWIAW-UHFFFAOYSA-N -1 1 263.269 1.116 20 0 CDADMM O=C([O-])CC[C@H]1CCCN(CN2C(=O)CC23CCC3)C1 ZINC001611425967 971047764 /nfs/dbraw/zinc/04/77/64/971047764.db2.gz KPMORXSXHNTFBR-GFCCVEGCSA-N -1 1 280.368 1.676 20 0 CDADMM O=C([O-])CC[C@H]1CCCN(CN2C[C@@H](C3CC3)CC2=O)C1 ZINC001611426039 971049208 /nfs/dbraw/zinc/04/92/08/971049208.db2.gz PLJQDLKERJMDCT-OCCSQVGLSA-N -1 1 294.395 1.779 20 0 CDADMM Cc1ccc(F)c(-c2ncnc3c2CC(=O)N3)c1[O-] ZINC001236392504 944489496 /nfs/dbraw/zinc/48/94/96/944489496.db2.gz PDNSWLFSAOZJTQ-UHFFFAOYSA-N -1 1 259.240 1.791 20 0 CDADMM O=C([O-])CCCCN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC001601988042 971113988 /nfs/dbraw/zinc/11/39/88/971113988.db2.gz YMCHHWAIDWDDEM-UHFFFAOYSA-N -1 1 292.383 1.664 20 0 CDADMM CC[C@H](NC(=O)c1cnc(SC)[n-]c1=O)[C@@H]1CCCO1 ZINC001362304369 971136754 /nfs/dbraw/zinc/13/67/54/971136754.db2.gz GUNWDUQDGNGYOD-UWVGGRQHSA-N -1 1 297.380 1.592 20 0 CDADMM O=S(=O)([N-][C@@H]1CC1(F)F)c1ccc(F)c(F)c1 ZINC001259092519 945482793 /nfs/dbraw/zinc/48/27/93/945482793.db2.gz YVOQOXDAOKYRIF-MRVPVSSYSA-N -1 1 269.219 1.651 20 0 CDADMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)C1CC1 ZINC001259275146 945528031 /nfs/dbraw/zinc/52/80/31/945528031.db2.gz ANXLJNMYNATOTR-UHFFFAOYSA-N -1 1 273.285 1.516 20 0 CDADMM COc1ccc(C(C)=O)c([N-]S(=O)(=O)C2CC2)c1 ZINC001259275864 945528956 /nfs/dbraw/zinc/52/89/56/945528956.db2.gz 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O=C([O-])[C@@H]1C2CCC(CC2)N1Cc1ccc(Cl)nn1 ZINC001574384282 1170965136 /nfs/dbraw/zinc/96/51/36/1170965136.db2.gz NYLYLCRLJYFGTM-VCJLRHCSSA-N -1 1 281.743 1.958 20 0 CDADMM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2c[n-][nH]c2=O)C1(C)C ZINC001654603408 1171624741 /nfs/dbraw/zinc/62/47/41/1171624741.db2.gz MVFPFPXUEYXEIH-BDAKNGLRSA-N -1 1 265.313 1.695 20 0 CDADMM COC[C@@](C)(O)C(=O)N=c1cc(-c2ccc(C)s2)[n-][nH]1 ZINC000616811454 342483927 /nfs/dbraw/zinc/48/39/27/342483927.db2.gz QQTWPIYZUKRLLT-CYBMUJFWSA-N -1 1 295.364 1.204 20 0 CDADMM CC(C)[C@](C)(O)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000616331402 341987533 /nfs/dbraw/zinc/98/75/33/341987533.db2.gz BIIXCXYTSVJHJK-ZDUSSCGKSA-N -1 1 279.365 1.906 20 0 CDADMM COC[C@H](OC)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000616333323 341987907 /nfs/dbraw/zinc/98/79/07/341987907.db2.gz YHKPZZBYMIMCDR-VIFPVBQESA-N -1 1 281.337 1.160 20 0 CDADMM C[C@H](SCc1ccccc1)C(=O)NCc1nn[n-]n1 ZINC000095136331 342556396 /nfs/dbraw/zinc/55/63/96/342556396.db2.gz 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C[C@@H]1CCN(CC(=O)NCC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000629491335 362103219 /nfs/dbraw/zinc/10/32/19/362103219.db2.gz QGYYITHBZVXYMQ-MNOVXSKESA-N -1 1 270.373 1.191 20 0 CDADMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCCc1nn[n-]n1 ZINC000635576557 362087918 /nfs/dbraw/zinc/08/79/18/362087918.db2.gz MWXAAUDGCPVUKF-GRYCIOLGSA-N -1 1 277.372 1.702 20 0 CDADMM CCN(CC)S(=O)(=O)Nc1cc(F)cc(F)c1[O-] ZINC000641690248 365727941 /nfs/dbraw/zinc/72/79/41/365727941.db2.gz KNJOMIGUQFFONI-UHFFFAOYSA-N -1 1 280.296 1.669 20 0 CDADMM CCc1nc(S(=O)(=O)Cc2ccc3c(c2)CCC3)n[n-]1 ZINC000086170292 342384475 /nfs/dbraw/zinc/38/44/75/342384475.db2.gz NZSCDLMSSQNPJF-UHFFFAOYSA-N -1 1 291.376 1.830 20 0 CDADMM CC(C)(NC(=O)Cc1ccccc1Cl)c1nn[n-]n1 ZINC000095204087 342430655 /nfs/dbraw/zinc/43/06/55/342430655.db2.gz GCUFPQCKYMOPJN-UHFFFAOYSA-N -1 1 279.731 1.447 20 0 CDADMM C[C@@H](CN(C)C(=O)c1cnn(C(C)(C)C)c1)c1nn[n-]n1 ZINC000095243482 342431475 /nfs/dbraw/zinc/43/14/75/342431475.db2.gz PZPZLZVXJKUGLY-VIFPVBQESA-N -1 1 291.359 1.027 20 0 CDADMM COc1ccc(NC(C)=O)c([N-]S(C)(=O)=O)c1 ZINC000196578271 342437503 /nfs/dbraw/zinc/43/75/03/342437503.db2.gz DIGNGWKBGAMMQE-UHFFFAOYSA-N -1 1 258.299 1.025 20 0 CDADMM CC(C)[C@@H]1CN(C(=O)CCCc2nn[n-]n2)CCS1 ZINC000635626567 362192924 /nfs/dbraw/zinc/19/29/24/362192924.db2.gz KLQYQKMYFZWJKE-JTQLQIEISA-N -1 1 283.401 1.122 20 0 CDADMM CC(C)(O)CC[N-]S(=O)(=O)c1cccc(F)c1F ZINC000274711691 365776879 /nfs/dbraw/zinc/77/68/79/365776879.db2.gz DGAKDLSSISQJTH-UHFFFAOYSA-N -1 1 279.308 1.404 20 0 CDADMM C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])C(N)=O ZINC000128099083 187350936 /nfs/dbraw/zinc/35/09/36/187350936.db2.gz FFWJYIJTVHOYCY-RXMQYKEDSA-N -1 1 276.214 1.015 20 0 CDADMM CCC[C@H](NC(=O)[C@H]1CCc2cccnc21)c1nn[n-]n1 ZINC000612060465 346997846 /nfs/dbraw/zinc/99/78/46/346997846.db2.gz KEFSSJOUVXBDAE-QWRGUYRKSA-N -1 1 286.339 1.282 20 0 CDADMM CCS[C@H](C(=O)N=c1[nH][n-]c(C)c1C(=O)NC)C(C)C ZINC000601686719 344232860 /nfs/dbraw/zinc/23/28/60/344232860.db2.gz 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O=C([C@H]1CC=CCC1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773157520 575786638 /nfs/dbraw/zinc/78/66/38/575786638.db2.gz CXDFGHUDTHZKOP-VHSXEESVSA-N -1 1 279.369 1.173 20 0 CDADMM O=C(CCc1ccco1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773159688 575786923 /nfs/dbraw/zinc/78/69/23/575786923.db2.gz LIUZWHWRIPZCNW-SNVBAGLBSA-N -1 1 293.352 1.042 20 0 CDADMM C[C@@H](OC(=O)c1ccc([O-])cc1F)C(=O)NC1CC1 ZINC000773575244 575827177 /nfs/dbraw/zinc/82/71/77/575827177.db2.gz WSSXBBHYMSOVGH-SSDOTTSWSA-N -1 1 267.256 1.355 20 0 CDADMM C[C@H](CN(C)C(=O)[C@@H](F)c1ccccc1)c1nn[n-]n1 ZINC000773999974 575847770 /nfs/dbraw/zinc/84/77/70/575847770.db2.gz LBHAKMLTJBECRU-KOLCDFICSA-N -1 1 277.303 1.472 20 0 CDADMM CSC[C@@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000737176022 575894773 /nfs/dbraw/zinc/89/47/73/575894773.db2.gz KNFLGJSLBTULPT-SSDOTTSWSA-N -1 1 250.331 1.425 20 0 CDADMM CSC[C@@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000737176022 575894775 /nfs/dbraw/zinc/89/47/75/575894775.db2.gz KNFLGJSLBTULPT-SSDOTTSWSA-N -1 1 250.331 1.425 20 0 CDADMM Cc1ccc([C@@H](O)CNc2nccnc2-c2nnn[n-]2)cc1 ZINC000737320088 575939711 /nfs/dbraw/zinc/93/97/11/575939711.db2.gz MZUMVIOSDROAOJ-NSHDSACASA-N -1 1 297.322 1.111 20 0 CDADMM Cc1ccc([C@@H](O)CNc2nccnc2-c2nn[n-]n2)cc1 ZINC000737320088 575939713 /nfs/dbraw/zinc/93/97/13/575939713.db2.gz MZUMVIOSDROAOJ-NSHDSACASA-N -1 1 297.322 1.111 20 0 CDADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2ccon2)n1 ZINC000737469650 575971974 /nfs/dbraw/zinc/97/19/74/575971974.db2.gz AZQPHWKDMUVXGD-UHFFFAOYSA-N -1 1 289.324 1.554 20 0 CDADMM Cc1nc(CCC(=O)N(C)C[C@@H](C)c2nn[n-]n2)cs1 ZINC000737471187 575972676 /nfs/dbraw/zinc/97/26/76/575972676.db2.gz DYWNBHPPMADILA-MRVPVSSYSA-N -1 1 294.384 1.159 20 0 CDADMM CN1CCC[C@@H]1C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000737520960 575982632 /nfs/dbraw/zinc/98/26/32/575982632.db2.gz LVLSCMYYBASHEV-CHWSQXEVSA-N -1 1 276.336 1.413 20 0 CDADMM OCC1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000738392590 576067416 /nfs/dbraw/zinc/06/74/16/576067416.db2.gz FDFPLIYAPWFRME-UHFFFAOYSA-N -1 1 294.746 1.124 20 0 CDADMM OCC1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000738392590 576067417 /nfs/dbraw/zinc/06/74/17/576067417.db2.gz FDFPLIYAPWFRME-UHFFFAOYSA-N -1 1 294.746 1.124 20 0 CDADMM O=C([O-])CCN(CC1CC1)C(=O)c1cc(C2CC2)[nH]n1 ZINC000766920912 576146391 /nfs/dbraw/zinc/14/63/91/576146391.db2.gz USHNOGRLVGYXMP-UHFFFAOYSA-N -1 1 277.324 1.614 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000739548613 576251766 /nfs/dbraw/zinc/25/17/66/576251766.db2.gz POXMCXZMHNFXBE-JGVFFNPUSA-N -1 1 293.710 1.553 20 0 CDADMM O=C(NCCSCCCO)c1c([O-])cccc1Cl ZINC000769225087 576338970 /nfs/dbraw/zinc/33/89/70/576338970.db2.gz IVENCOQCYGAVHR-UHFFFAOYSA-N -1 1 289.784 1.891 20 0 CDADMM CCCCOCCOCC[N-]C(=O)C(F)(F)F ZINC000742917749 576621091 /nfs/dbraw/zinc/62/10/91/576621091.db2.gz SGIZPRIBIOMSAY-UHFFFAOYSA-N -1 1 257.252 1.498 20 0 CDADMM O=C([N-]c1nnc(C(F)F)s1)c1ncccn1 ZINC000743320885 576633041 /nfs/dbraw/zinc/63/30/41/576633041.db2.gz VELRCVSKJRYUIB-UHFFFAOYSA-N -1 1 257.225 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252.236 1.064 20 0 CDADMM CCCC1(CNC(=O)CCn2cc[n-]c(=O)c2=O)CCC1 ZINC000758649712 577124386 /nfs/dbraw/zinc/12/43/86/577124386.db2.gz DXWRNAFCIYVWKN-UHFFFAOYSA-N -1 1 293.367 1.013 20 0 CDADMM O=C([N-]OCC(F)F)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000759333594 577169861 /nfs/dbraw/zinc/16/98/61/577169861.db2.gz FLTKNYFSDJGXGO-MRVPVSSYSA-N -1 1 276.283 1.090 20 0 CDADMM Cc1nc(CCC(=O)[N-]OCC(F)F)cs1 ZINC000759340639 577171141 /nfs/dbraw/zinc/17/11/41/577171141.db2.gz YJOCTBAURPDALU-UHFFFAOYSA-N -1 1 250.270 1.697 20 0 CDADMM O=C([O-])[C@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@H]1c1nnc[n-]1 ZINC001601812669 1175018884 /nfs/dbraw/zinc/01/88/84/1175018884.db2.gz IGZQOJYIQCMOQL-WOPDTQHZSA-N -1 1 278.356 1.833 20 0 CDADMM O=C([O-])[C@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H]1c1nnc[n-]1 ZINC001601812669 1175018886 /nfs/dbraw/zinc/01/88/86/1175018886.db2.gz IGZQOJYIQCMOQL-WOPDTQHZSA-N -1 1 278.356 1.833 20 0 CDADMM O=C([O-])[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC001601826998 1175025645 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CC(C)N(CC(=O)[O-])Cc1nc2ccccc2c(=O)n1C ZINC000820019786 598077335 /nfs/dbraw/zinc/07/73/35/598077335.db2.gz BNYKXKJSNQCUNY-UHFFFAOYSA-N -1 1 289.335 1.229 20 0 CDADMM COc1c(CN2CCC(C(=O)[O-])CC2)c(C)nn1C ZINC000158695357 598119507 /nfs/dbraw/zinc/11/95/07/598119507.db2.gz KPTNURPGICLRLR-UHFFFAOYSA-N -1 1 267.329 1.034 20 0 CDADMM Cc1[nH]nc2cc(NC(=O)CSCC(=O)[O-])ccc12 ZINC000821152427 598149944 /nfs/dbraw/zinc/14/99/44/598149944.db2.gz AJOQQPVDXGDJGH-UHFFFAOYSA-N -1 1 279.321 1.628 20 0 CDADMM CN1CCN(C(=O)c2ccc(C(=O)[O-])cc2)C(C)(C)C1 ZINC000820626922 598157417 /nfs/dbraw/zinc/15/74/17/598157417.db2.gz WAXYXBRLRZFTGR-UHFFFAOYSA-N -1 1 276.336 1.551 20 0 CDADMM CCCN1CCN(C(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000048515768 598179324 /nfs/dbraw/zinc/17/93/24/598179324.db2.gz VAGGWYIGTRPQKI-UHFFFAOYSA-N -1 1 291.351 1.944 20 0 CDADMM C[C@H]1CCCC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC000095254922 598335960 /nfs/dbraw/zinc/33/59/60/598335960.db2.gz JHROWFARQREZIG-IUCAKERBSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@H]1CCCC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC000095254922 598335963 /nfs/dbraw/zinc/33/59/63/598335963.db2.gz JHROWFARQREZIG-IUCAKERBSA-N -1 1 259.317 1.647 20 0 CDADMM CN(CCCC(=O)[O-])C(=O)c1cc(C(F)F)[nH]n1 ZINC000908633904 628303642 /nfs/dbraw/zinc/30/36/42/628303642.db2.gz FZGGDJMENPNBKF-UHFFFAOYSA-N -1 1 261.228 1.284 20 0 CDADMM CC[C@](C)(O)CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820863932 599513695 /nfs/dbraw/zinc/51/36/95/599513695.db2.gz WIFSLZDEBFZSIC-HNNXBMFYSA-N -1 1 298.350 1.988 20 0 CDADMM CC[C@](C)(O)CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820863932 599513697 /nfs/dbraw/zinc/51/36/97/599513697.db2.gz WIFSLZDEBFZSIC-HNNXBMFYSA-N -1 1 298.350 1.988 20 0 CDADMM O=C(C=Cc1cccs1)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000019802656 599777189 /nfs/dbraw/zinc/77/71/89/599777189.db2.gz KXGIMCVIGNANIC-UFFNRZRYSA-N -1 1 291.332 1.297 20 0 CDADMM CCC[C@](C)(NCC(=O)N[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000036809011 600152514 /nfs/dbraw/zinc/15/25/14/600152514.db2.gz YHVPRAIRWXPLAC-ZOWXZIJZSA-N -1 1 284.400 1.914 20 0 CDADMM Cc1n[nH]c(C(=O)N[C@](C)(C(=O)[O-])C2CC2)c1C ZINC000716648449 600200139 /nfs/dbraw/zinc/20/01/39/600200139.db2.gz XAHWHJRNXLROFD-LBPRGKRZSA-N -1 1 251.286 1.010 20 0 CDADMM CC(C)(NCC(=O)Nc1nc2ccccc2s1)C(=O)[O-] ZINC000087624989 600292052 /nfs/dbraw/zinc/29/20/52/600292052.db2.gz UXYXCOULHNAQMT-UHFFFAOYSA-N -1 1 293.348 1.688 20 0 CDADMM CCC[C@@](C)(NCC(=O)N1CCC[C@H](C)C1)C(=O)[O-] ZINC000036808387 600461967 /nfs/dbraw/zinc/46/19/67/600461967.db2.gz LQENLJDYWRXYKW-SMDDNHRTSA-N -1 1 270.373 1.478 20 0 CDADMM C[C@@H](C(=O)Nc1cnn(CC(=O)[O-])c1)N1[C@H](C)CC[C@H]1C ZINC000043559651 600532179 /nfs/dbraw/zinc/53/21/79/600532179.db2.gz NRSGGKJZJMBXLH-MXWKQRLJSA-N -1 1 294.355 1.168 20 0 CDADMM CC[C@](C)(NCC(=O)NCCC1=CCCCC1)C(=O)[O-] ZINC000094228445 600561215 /nfs/dbraw/zinc/56/12/15/600561215.db2.gz BBBBBTZYESMRIT-HNNXBMFYSA-N -1 1 282.384 1.836 20 0 CDADMM O=C([O-])CCN(Cn1cc[nH]c1=S)C1CCOCC1 ZINC000833236656 600720823 /nfs/dbraw/zinc/72/08/23/600720823.db2.gz 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ZINC000824222783 607990915 /nfs/dbraw/zinc/99/09/15/607990915.db2.gz BGJFCUYQCXZILS-JTQLQIEISA-N -1 1 291.384 1.235 20 0 CDADMM CC(C)[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCS1 ZINC000824222783 607990916 /nfs/dbraw/zinc/99/09/16/607990916.db2.gz BGJFCUYQCXZILS-JTQLQIEISA-N -1 1 291.384 1.235 20 0 CDADMM c1cn(Cc2csc(C3CC3)n2)c(-c2nn[n-]n2)n1 ZINC000826524817 608147649 /nfs/dbraw/zinc/14/76/49/608147649.db2.gz LGBCQBUNWJYVMV-UHFFFAOYSA-N -1 1 273.325 1.445 20 0 CDADMM c1cn(Cc2csc(C3CC3)n2)c(-c2nnn[n-]2)n1 ZINC000826524817 608147648 /nfs/dbraw/zinc/14/76/48/608147648.db2.gz LGBCQBUNWJYVMV-UHFFFAOYSA-N -1 1 273.325 1.445 20 0 CDADMM CC(=O)C[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823967275 608381556 /nfs/dbraw/zinc/38/15/56/608381556.db2.gz KXNPRTBIRJUJTG-ZCFIWIBFSA-N -1 1 279.325 1.026 20 0 CDADMM CC(=O)C[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823967275 608381558 /nfs/dbraw/zinc/38/15/58/608381558.db2.gz KXNPRTBIRJUJTG-ZCFIWIBFSA-N -1 1 279.325 1.026 20 0 CDADMM COc1cc(C=O)ccc1Oc1ccc(-c2nnn[n-]2)nn1 ZINC000826178984 608389004 /nfs/dbraw/zinc/38/90/04/608389004.db2.gz TVPZKVCKCOKHDF-UHFFFAOYSA-N -1 1 298.262 1.270 20 0 CDADMM COc1cc(C=O)ccc1Oc1ccc(-c2nn[n-]n2)nn1 ZINC000826178984 608389006 /nfs/dbraw/zinc/38/90/06/608389006.db2.gz TVPZKVCKCOKHDF-UHFFFAOYSA-N -1 1 298.262 1.270 20 0 CDADMM c1cc(N2CC3C[C@@H]4CC2C[C@H](C3)C4)nnc1-c1nnn[n-]1 ZINC000826516475 608407997 /nfs/dbraw/zinc/40/79/97/608407997.db2.gz MHBKXIPNVKTGRN-ZYANWLCNSA-N -1 1 297.366 1.672 20 0 CDADMM c1cc(N2CC3C[C@@H]4CC2C[C@H](C3)C4)nnc1-c1nn[n-]n1 ZINC000826516475 608407998 /nfs/dbraw/zinc/40/79/98/608407998.db2.gz MHBKXIPNVKTGRN-ZYANWLCNSA-N -1 1 297.366 1.672 20 0 CDADMM c1ccc(NCCCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826521964 608411155 /nfs/dbraw/zinc/41/11/55/608411155.db2.gz FYWCWTUHLGGRRF-UHFFFAOYSA-N -1 1 296.338 1.571 20 0 CDADMM c1ccc(NCCCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826521964 608411156 /nfs/dbraw/zinc/41/11/56/608411156.db2.gz FYWCWTUHLGGRRF-UHFFFAOYSA-N -1 1 296.338 1.571 20 0 CDADMM Cc1csc([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC000826320597 608411754 /nfs/dbraw/zinc/41/17/54/608411754.db2.gz WXKDKCHHKTWJAW-ZETCQYMHSA-N -1 1 288.340 1.595 20 0 CDADMM Cc1csc([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC000826320597 608411755 /nfs/dbraw/zinc/41/17/55/608411755.db2.gz WXKDKCHHKTWJAW-ZETCQYMHSA-N -1 1 288.340 1.595 20 0 CDADMM CC(C)=CCOC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824178518 608475439 /nfs/dbraw/zinc/47/54/39/608475439.db2.gz VZQQARGOGQKPPE-UHFFFAOYSA-N -1 1 259.269 1.385 20 0 CDADMM CC(C)=CCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824178518 608475440 /nfs/dbraw/zinc/47/54/40/608475440.db2.gz VZQQARGOGQKPPE-UHFFFAOYSA-N -1 1 259.269 1.385 20 0 CDADMM CC1(Nc2ccc(-c3nnn[n-]3)nn2)Cc2ccccc2C1 ZINC000824837615 608556259 /nfs/dbraw/zinc/55/62/59/608556259.db2.gz HPKBKWDYBZPRHH-UHFFFAOYSA-N -1 1 293.334 1.626 20 0 CDADMM CC1(Nc2ccc(-c3nn[n-]n3)nn2)Cc2ccccc2C1 ZINC000824837615 608556261 /nfs/dbraw/zinc/55/62/61/608556261.db2.gz HPKBKWDYBZPRHH-UHFFFAOYSA-N -1 1 293.334 1.626 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCC[C@@H]2CCCCO2)n1 ZINC000826525187 609582608 /nfs/dbraw/zinc/58/26/08/609582608.db2.gz ZQLODWMZHSZBTE-VIFPVBQESA-N -1 1 275.316 1.028 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCC[C@@H]2CCCCO2)n1 ZINC000826525187 609582609 /nfs/dbraw/zinc/58/26/09/609582609.db2.gz ZQLODWMZHSZBTE-VIFPVBQESA-N -1 1 275.316 1.028 20 0 CDADMM CC(C)C(=O)N1C[C@H](NC(=O)c2ncccc2[O-])[C@@H](C)C1 ZINC000966172399 613894026 /nfs/dbraw/zinc/89/40/26/613894026.db2.gz OWGILDDGPPSSJN-QWRGUYRKSA-N -1 1 291.351 1.020 20 0 CDADMM CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC000934166116 617448362 /nfs/dbraw/zinc/44/83/62/617448362.db2.gz LXMTVJZAZPXNQM-DNRKLUKYSA-N -1 1 296.371 1.308 20 0 CDADMM CCN(C(=O)c1ncccc1[O-])C1CN(CC2CC2)C1 ZINC000949948055 614796296 /nfs/dbraw/zinc/79/62/96/614796296.db2.gz IWUWCEZIEFLGFT-UHFFFAOYSA-N -1 1 275.352 1.344 20 0 CDADMM C[C@@H]1CO[C@@H](C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)C1 ZINC000891615729 617507070 /nfs/dbraw/zinc/50/70/70/617507070.db2.gz LVHOBXLRJGFGEP-GZMMTYOYSA-N -1 1 277.324 1.425 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccncc1F ZINC000891620934 617508817 /nfs/dbraw/zinc/50/88/17/617508817.db2.gz BUYLKJMTHIRDDP-UHFFFAOYSA-N -1 1 288.282 1.847 20 0 CDADMM O=C(C=CC1CC1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891620857 617508903 /nfs/dbraw/zinc/50/89/03/617508903.db2.gz ADCZQRXIHQJTHC-FPLPWBNLSA-N -1 1 259.309 1.966 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccnc(F)c1 ZINC000891624019 617510108 /nfs/dbraw/zinc/51/01/08/617510108.db2.gz OEVDZXAHRQXKOM-UHFFFAOYSA-N -1 1 288.282 1.847 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@H]1CCOC1 ZINC000891624912 617511028 /nfs/dbraw/zinc/51/10/28/617511028.db2.gz UKTKNVDIELAMKZ-QMMMGPOBSA-N -1 1 263.297 1.036 20 0 CDADMM COCc1nc(NC[C@@H](C)C[C@H](C)O)cc(=O)[n-]1 ZINC000892645725 617557600 /nfs/dbraw/zinc/55/76/00/617557600.db2.gz OMCOGOBTSMCMNS-IUCAKERBSA-N -1 1 255.318 1.148 20 0 CDADMM COCc1nc(N[C@@H](C)C[C@@H]2CCOC2)cc(=O)[n-]1 ZINC000892910496 617892454 /nfs/dbraw/zinc/89/24/54/617892454.db2.gz DDPXTIZPVBDHMT-UWVGGRQHSA-N -1 1 267.329 1.556 20 0 CDADMM C[C@H](CCC(=O)N(C)c1nn[n-]n1)c1ccccc1 ZINC000892954890 617977854 /nfs/dbraw/zinc/97/78/54/617977854.db2.gz UQZCEDTZRMBJBZ-SNVBAGLBSA-N -1 1 259.313 1.746 20 0 CDADMM CN(C(=O)C[C@H]1CCCCC1(C)C)c1nn[n-]n1 ZINC000892955087 617977876 /nfs/dbraw/zinc/97/78/76/617977876.db2.gz WBNCNWIVKSFRMA-SECBINFHSA-N -1 1 251.334 1.769 20 0 CDADMM COc1ccc([C@@H](NC(=O)CN2CCCC2)C(=O)[O-])cc1 ZINC000909326002 617683967 /nfs/dbraw/zinc/68/39/67/617683967.db2.gz BFYQTLNUHLBLEP-CQSZACIVSA-N -1 1 292.335 1.033 20 0 CDADMM CC[C@@H]1C[C@H]1C(=O)Nc1cc(C(=O)OC(C)C)[nH]n1 ZINC000888119022 620750649 /nfs/dbraw/zinc/75/06/49/620750649.db2.gz QCWDWCMSDPIMRQ-RKDXNWHRSA-N -1 1 265.313 1.960 20 0 CDADMM CN(CC(=O)N[C@H](C(=O)[O-])c1ccccc1F)C1CCC1 ZINC000909358298 617919130 /nfs/dbraw/zinc/91/91/30/617919130.db2.gz OHMRQBBHLVEVBJ-AWEZNQCLSA-N -1 1 294.326 1.552 20 0 CDADMM CCC(=CC(=O)N(C)c1nn[n-]n1)c1ccc(OC)cc1 ZINC000892955090 617977152 /nfs/dbraw/zinc/97/71/52/617977152.db2.gz WCGBUQNXACAXOG-MDZDMXLPSA-N -1 1 287.323 1.665 20 0 CDADMM Cc1cc(S(=O)(=O)[N-]CCc2ccncc2)sn1 ZINC000866965815 620776287 /nfs/dbraw/zinc/77/62/87/620776287.db2.gz OWWPLMNAVKMRMK-UHFFFAOYSA-N -1 1 283.378 1.368 20 0 CDADMM CCOCCO[N-]C(=O)Cc1sc(C)nc1C ZINC000897428200 620777643 /nfs/dbraw/zinc/77/76/43/620777643.db2.gz WCPNUKURXLEIGV-UHFFFAOYSA-N -1 1 258.343 1.387 20 0 CDADMM O=C([O-])C[C@H](NC(=O)CN1CCCC1)C1CCCC1 ZINC000910566953 618265994 /nfs/dbraw/zinc/26/59/94/618265994.db2.gz JKZJZXHDXQSPQQ-LBPRGKRZSA-N -1 1 268.357 1.232 20 0 CDADMM COCc1nc(NC[C@H](C)CCCO)cc(=O)[n-]1 ZINC000894030302 618270811 /nfs/dbraw/zinc/27/08/11/618270811.db2.gz QDCOHZPLUYWINJ-SECBINFHSA-N -1 1 255.318 1.149 20 0 CDADMM CC(C)CCC[C@H](NC(=O)[C@H]1CCCN1C)C(=O)[O-] ZINC000910573901 618277130 /nfs/dbraw/zinc/27/71/30/618277130.db2.gz CFFFDSYBHVGIOO-NWDGAFQWSA-N -1 1 270.373 1.476 20 0 CDADMM C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC000910561585 618306749 /nfs/dbraw/zinc/30/67/49/618306749.db2.gz BHFRVEJDNZVLLC-GWCFXTLKSA-N -1 1 293.367 1.738 20 0 CDADMM COCc1nc(N[C@@H]2CC23CCOCC3)cc(=O)[n-]1 ZINC000894081435 618338361 /nfs/dbraw/zinc/33/83/61/618338361.db2.gz XWBZRLJFZYERBF-SECBINFHSA-N -1 1 265.313 1.310 20 0 CDADMM C[C@@H]1CCCN1S(=O)(=O)[N-]c1nn(C)c2ccccc21 ZINC000901988444 618426404 /nfs/dbraw/zinc/42/64/04/618426404.db2.gz YQAXZORSZRUJHH-SNVBAGLBSA-N -1 1 294.380 1.714 20 0 CDADMM C[C@H](C(=O)[O-])N(C)Cc1cc(C(F)(F)F)nn1C ZINC000901980617 618455777 /nfs/dbraw/zinc/45/57/77/618455777.db2.gz QMFVZEWPTYNCHM-ZCFIWIBFSA-N -1 1 265.235 1.344 20 0 CDADMM CC[C@H](C(=O)[O-])N(C)C(=O)C[N@@H+](C)CCc1ccccc1 ZINC000902021071 618499720 /nfs/dbraw/zinc/49/97/20/618499720.db2.gz XQRRHLJMWPFHJE-CQSZACIVSA-N -1 1 292.379 1.483 20 0 CDADMM CC[C@H](C(=O)[O-])N(C)C(=O)CN(C)CCc1ccccc1 ZINC000902021071 618499722 /nfs/dbraw/zinc/49/97/22/618499722.db2.gz XQRRHLJMWPFHJE-CQSZACIVSA-N -1 1 292.379 1.483 20 0 CDADMM CN(C)[C@@H](CNC(=O)N(C)CCC(=O)[O-])c1cccs1 ZINC000818429208 618508904 /nfs/dbraw/zinc/50/89/04/618508904.db2.gz VZAKUGMPJBHSQD-JTQLQIEISA-N -1 1 299.396 1.467 20 0 CDADMM CC(C)(CNC(=O)c1[nH]nc2c1CCCCC2)CC(=O)[O-] ZINC000910829299 618539799 /nfs/dbraw/zinc/53/97/99/618539799.db2.gz IDNZQDIFTVLNDJ-UHFFFAOYSA-N -1 1 293.367 1.909 20 0 CDADMM C[N@@H+](CC(=O)NCC(C)(C)CC(=O)[O-])[C@@H]1CCSC1 ZINC000910828914 618539822 /nfs/dbraw/zinc/53/98/22/618539822.db2.gz GIKQIPKROMTNHR-SNVBAGLBSA-N -1 1 288.413 1.041 20 0 CDADMM CN(CC(=O)NCC(C)(C)CC(=O)[O-])[C@@H]1CCSC1 ZINC000910828914 618539828 /nfs/dbraw/zinc/53/98/28/618539828.db2.gz GIKQIPKROMTNHR-SNVBAGLBSA-N -1 1 288.413 1.041 20 0 CDADMM COCc1nc(NC[C@@H]2C[C@H](C)O[C@H]2C)cc(=O)[n-]1 ZINC000894197914 618690259 /nfs/dbraw/zinc/69/02/59/618690259.db2.gz RUZZLFKRHGMDQZ-GUBZILKMSA-N -1 1 267.329 1.554 20 0 CDADMM COCc1nc(N[C@@H]2CCN(C(C)(C)C)C2=O)cc(=O)[n-]1 ZINC000894339967 618796423 /nfs/dbraw/zinc/79/64/23/618796423.db2.gz GBKQSZWUCZSWCB-SECBINFHSA-N -1 1 294.355 1.140 20 0 CDADMM COCc1nc(NC[C@@H](C)C(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC000894430977 618882497 /nfs/dbraw/zinc/88/24/97/618882497.db2.gz BJYVBJYNFPRLFX-SECBINFHSA-N -1 1 297.355 1.718 20 0 CDADMM COCc1nccc(NCc2cc(=O)[n-]c(SC)n2)n1 ZINC000894470710 618906391 /nfs/dbraw/zinc/90/63/91/618906391.db2.gz FEPHWNYFXIEODQ-UHFFFAOYSA-N -1 1 293.352 1.453 20 0 CDADMM CC1(C)CCC(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000909412895 619103746 /nfs/dbraw/zinc/10/37/46/619103746.db2.gz XMBFUVFQVCOIKU-GFCCVEGCSA-N -1 1 296.411 1.868 20 0 CDADMM C[C@@H]1CCc2n[nH]c(C(=O)N[C@H](CC3CC3)C(=O)[O-])c2C1 ZINC000909473627 619358012 /nfs/dbraw/zinc/35/80/12/619358012.db2.gz APNMNBWJRYXOSN-PRHODGIISA-N -1 1 291.351 1.518 20 0 CDADMM Cc1nc2cccc(C(=O)NC[C@@H](C)CC(=O)[O-])c2[nH]1 ZINC000909492890 619398940 /nfs/dbraw/zinc/39/89/40/619398940.db2.gz WBFPKGOKUYUUCW-QMMMGPOBSA-N -1 1 275.308 1.712 20 0 CDADMM CCCC[C@@H](NC(=O)CN(C)[C@H]1CCSC1)C(=O)[O-] ZINC000909506962 619469991 /nfs/dbraw/zinc/46/99/91/619469991.db2.gz NSFOKTQJQKXGNK-WDEREUQCSA-N -1 1 288.413 1.183 20 0 CDADMM CCCC[C@@H](NC(=O)CN(C)C1CCC1)C(=O)[O-] ZINC000909507669 619472844 /nfs/dbraw/zinc/47/28/44/619472844.db2.gz XLRAEZQKRIEGGX-LLVKDONJSA-N -1 1 256.346 1.230 20 0 CDADMM CO[C@@]1(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CCSC1 ZINC000895614105 619757886 /nfs/dbraw/zinc/75/78/86/619757886.db2.gz IYXUVLXLJAGIOM-QMMMGPOBSA-N -1 1 296.274 1.284 20 0 CDADMM CCN(CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21)C1CC1 ZINC000909581866 620458555 /nfs/dbraw/zinc/45/85/55/620458555.db2.gz SBDOUXKEUAYWIA-ZDUSSCGKSA-N -1 1 288.347 1.686 20 0 CDADMM C[C@@H](O)C[C@H](C)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900800514 623552558 /nfs/dbraw/zinc/55/25/58/623552558.db2.gz NPXAKCYBYHNGAR-DTWKUNHWSA-N -1 1 279.340 1.196 20 0 CDADMM Cc1cc(C[C@@H](C)Nc2ccc(C(=O)[O-])cn2)[nH]n1 ZINC000900988403 623768090 /nfs/dbraw/zinc/76/80/90/623768090.db2.gz MPQLLDXIGXTPCU-MRVPVSSYSA-N -1 1 260.297 1.854 20 0 CDADMM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000901464599 624281212 /nfs/dbraw/zinc/28/12/12/624281212.db2.gz KVOWBOUEUGQIFM-JHJVBQTASA-N -1 1 299.330 1.325 20 0 CDADMM O=C([O-])[C@@H]1CN(C[C@H]2CCN(c3ccccc3)C2)CCO1 ZINC000901489640 624290659 /nfs/dbraw/zinc/29/06/59/624290659.db2.gz BMQURPPBXYEQJU-HIFRSBDPSA-N -1 1 290.363 1.298 20 0 CDADMM C[C@H](C(=O)N1CCCC[C@@H]1CCC(=O)[O-])N(C)C ZINC000901576979 624359114 /nfs/dbraw/zinc/35/91/14/624359114.db2.gz OXVBDYBNYSNLMW-GHMZBOCLSA-N -1 1 256.346 1.182 20 0 CDADMM CCOc1cncc(CN(CCOC)CCC(=O)[O-])c1 ZINC000901660480 624397718 /nfs/dbraw/zinc/39/77/18/624397718.db2.gz BYOWWHZJEHZAKH-UHFFFAOYSA-N -1 1 282.340 1.403 20 0 CDADMM C[C@@H]1CN(C[C@H]2CC[C@H](C3CC3)O2)C[C@@H](C(=O)[O-])O1 ZINC000903607978 626033687 /nfs/dbraw/zinc/03/36/87/626033687.db2.gz WNLYUNYXMCBREZ-JHEVNIALSA-N -1 1 269.341 1.118 20 0 CDADMM C[C@@H]1CN(Cc2nc(CC3CC3)no2)C[C@H]1CC(=O)[O-] ZINC000903629539 626043227 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/nfs/dbraw/zinc/20/18/44/1163201844.db2.gz XYLKLYYHESQSKG-TVQRCGJNSA-N -1 1 264.329 1.307 20 0 CDADMM CCc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001604530226 1163220483 /nfs/dbraw/zinc/22/04/83/1163220483.db2.gz PWLSAJXHSCZUDJ-UHFFFAOYSA-N -1 1 297.318 1.952 20 0 CDADMM CCc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001604530226 1163220490 /nfs/dbraw/zinc/22/04/90/1163220490.db2.gz PWLSAJXHSCZUDJ-UHFFFAOYSA-N -1 1 297.318 1.952 20 0 CDADMM CCc1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001604531483 1163221734 /nfs/dbraw/zinc/22/17/34/1163221734.db2.gz NAODRINXHUWVRB-UHFFFAOYSA-N -1 1 281.323 1.831 20 0 CDADMM CCc1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001604531483 1163221738 /nfs/dbraw/zinc/22/17/38/1163221738.db2.gz NAODRINXHUWVRB-UHFFFAOYSA-N -1 1 281.323 1.831 20 0 CDADMM CCc1nc(CNc2cncc(-c3nnn[n-]3)n2)cs1 ZINC001604556768 1163228511 /nfs/dbraw/zinc/22/85/11/1163228511.db2.gz FOFZHUSGZMZRNG-UHFFFAOYSA-N -1 1 288.340 1.288 20 0 CDADMM CCc1nc(CNc2cncc(-c3nn[n-]n3)n2)cs1 ZINC001604556768 1163228517 /nfs/dbraw/zinc/22/85/17/1163228517.db2.gz FOFZHUSGZMZRNG-UHFFFAOYSA-N -1 1 288.340 1.288 20 0 CDADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC001604627252 1163254806 /nfs/dbraw/zinc/25/48/06/1163254806.db2.gz KNLJAWLNSAPLTL-MIMYLULJSA-N -1 1 292.339 1.292 20 0 CDADMM CC[C@@H](C)[C@H](NC(=O)CN1C[C@@H]2CCCC[C@@H]21)C(=O)[O-] ZINC001604931178 1163386796 /nfs/dbraw/zinc/38/67/96/1163386796.db2.gz HMMKZBNQHLFJHF-UHXUPSOCSA-N -1 1 282.384 1.476 20 0 CDADMM Cc1c(CNC(=O)c2ncc3ccccc3c2[O-])cnn1C ZINC001137973060 1163437019 /nfs/dbraw/zinc/43/70/19/1163437019.db2.gz NDFDDFMVTFGSHO-UHFFFAOYSA-N -1 1 296.330 1.912 20 0 CDADMM CCNC(=O)CNCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001605493031 1163585820 /nfs/dbraw/zinc/58/58/20/1163585820.db2.gz HDPNNMOBPBJPSD-UHFFFAOYSA-N -1 1 270.716 1.264 20 0 CDADMM Cc1cc(CNc2nc(-c3nn[n-]n3)ccc2C)on1 ZINC001605662308 1163639599 /nfs/dbraw/zinc/63/95/99/1163639599.db2.gz ZSWQPSCPMKVDEA-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1cc(NCCCC(C)(C)CO)nc(-c2nnn[n-]2)c1 ZINC001605730333 1163653573 /nfs/dbraw/zinc/65/35/73/1163653573.db2.gz OAPVVQAJWNWIHZ-UHFFFAOYSA-N -1 1 290.371 1.781 20 0 CDADMM Cc1cc(NCCCC(C)(C)CO)nc(-c2nn[n-]n2)c1 ZINC001605730333 1163653578 /nfs/dbraw/zinc/65/35/78/1163653578.db2.gz OAPVVQAJWNWIHZ-UHFFFAOYSA-N -1 1 290.371 1.781 20 0 CDADMM CC[S@@](=O)CCNCc1ccc(C(=O)[O-])cc1F ZINC001605735243 1163655203 /nfs/dbraw/zinc/65/52/03/1163655203.db2.gz DRPRLEJWLCKKCN-GOSISDBHSA-N -1 1 273.329 1.382 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H](C)CCCO ZINC001605805104 1163677212 /nfs/dbraw/zinc/67/72/12/1163677212.db2.gz PSRXCILKNPWJLZ-VIFPVBQESA-N -1 1 276.344 1.391 20 0 CDADMM Cc1ccc(CCNc2cc(-c3nnn[n-]3)ncn2)c(C)c1 ZINC001605843033 1163685788 /nfs/dbraw/zinc/68/57/88/1163685788.db2.gz GXTHDJXEBWOEJW-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(CCNc2cc(-c3nn[n-]n3)ncn2)c(C)c1 ZINC001605843033 1163685793 /nfs/dbraw/zinc/68/57/93/1163685793.db2.gz GXTHDJXEBWOEJW-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM CCc1oc(CNCCOC2CCOCC2)cc1C(=O)[O-] ZINC001605891003 1163708261 /nfs/dbraw/zinc/70/82/61/1163708261.db2.gz YFDGLAFUUHASKR-UHFFFAOYSA-N -1 1 297.351 1.825 20 0 CDADMM Cc1[nH]nc(NCc2cccnc2C)c1-c1nnn[n-]1 ZINC001606098383 1163772565 /nfs/dbraw/zinc/77/25/65/1163772565.db2.gz SNNBTWZRDYUAMT-UHFFFAOYSA-N -1 1 270.300 1.214 20 0 CDADMM Cc1[nH]nc(NCc2cccnc2C)c1-c1nn[n-]n1 ZINC001606098383 1163772569 /nfs/dbraw/zinc/77/25/69/1163772569.db2.gz SNNBTWZRDYUAMT-UHFFFAOYSA-N -1 1 270.300 1.214 20 0 CDADMM Cc1nsc(N2CCC[C@@H]2C[C@H](C)O)c1-c1nn[n-]n1 ZINC001606144782 1163786730 /nfs/dbraw/zinc/78/67/30/1163786730.db2.gz MIHAEBOIAUIYIP-IONNQARKSA-N -1 1 294.384 1.371 20 0 CDADMM CN(Cc1cnc[nH]1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC001606151238 1163788720 /nfs/dbraw/zinc/78/87/20/1163788720.db2.gz YTUDZFIHZIRLFJ-UHFFFAOYSA-N -1 1 263.272 1.879 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1OC2CCC1CC2 ZINC001606165397 1163793107 /nfs/dbraw/zinc/79/31/07/1163793107.db2.gz CYNBHLYFPAWJNT-UHFFFAOYSA-N -1 1 289.295 1.467 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1OC2CCC1CC2 ZINC001606165397 1163793112 /nfs/dbraw/zinc/79/31/12/1163793112.db2.gz CYNBHLYFPAWJNT-UHFFFAOYSA-N -1 1 289.295 1.467 20 0 CDADMM Cc1nsc(NCc2nccs2)c1-c1nn[n-]n1 ZINC001606162882 1163794225 /nfs/dbraw/zinc/79/42/25/1163794225.db2.gz PNKDHCMKBGJBRU-UHFFFAOYSA-N -1 1 279.354 1.700 20 0 CDADMM CN(Cc1nc2cc(C(=O)[O-])ccc2[nH]1)C[C@H]1CCOC1 ZINC001606177432 1163799262 /nfs/dbraw/zinc/79/92/62/1163799262.db2.gz HQDCHJWOLCGQOW-SNVBAGLBSA-N -1 1 289.335 1.729 20 0 CDADMM ClC1(Cl)C[C@@H]1CNc1ncncc1-c1nn[n-]n1 ZINC001606185840 1163801018 /nfs/dbraw/zinc/80/10/18/1163801018.db2.gz XNWNZQMYJRHSFW-RXMQYKEDSA-N -1 1 286.126 1.262 20 0 CDADMM Clc1nc(N2CCC[C@H]3C[C@H]32)sc1-c1nnn[n-]1 ZINC001606198795 1163804457 /nfs/dbraw/zinc/80/44/57/1163804457.db2.gz RYPBSCWUKFEUDY-NTSWFWBYSA-N -1 1 282.760 1.965 20 0 CDADMM Clc1nc(N2CCC[C@H]3C[C@H]32)sc1-c1nn[n-]n1 ZINC001606198795 1163804465 /nfs/dbraw/zinc/80/44/65/1163804465.db2.gz RYPBSCWUKFEUDY-NTSWFWBYSA-N -1 1 282.760 1.965 20 0 CDADMM Clc1cnc(COc2cccnc2-c2nnn[n-]2)cn1 ZINC001606198884 1163804938 /nfs/dbraw/zinc/80/49/38/1163804938.db2.gz URTKLYIXJUJUNE-UHFFFAOYSA-N -1 1 289.686 1.284 20 0 CDADMM Clc1cnc(COc2cccnc2-c2nn[n-]n2)cn1 ZINC001606198884 1163804946 /nfs/dbraw/zinc/80/49/46/1163804946.db2.gz URTKLYIXJUJUNE-UHFFFAOYSA-N -1 1 289.686 1.284 20 0 CDADMM CN(Cc1occc1C(=O)[O-])[C@@H]1CCC(=O)N(C)C1 ZINC001606203674 1163805149 /nfs/dbraw/zinc/80/51/49/1163805149.db2.gz XNQJYUJKWRRRFV-SECBINFHSA-N -1 1 266.297 1.030 20 0 CDADMM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1CCC1CC1 ZINC001606373286 1163879825 /nfs/dbraw/zinc/87/98/25/1163879825.db2.gz JZHANSDDAUTIFJ-WDEREUQCSA-N -1 1 255.314 1.125 20 0 CDADMM COC(=O)CC1(NCc2ccc(C(=O)[O-])cc2F)CC1 ZINC001606445853 1163902220 /nfs/dbraw/zinc/90/22/20/1163902220.db2.gz YCLYFCKTEBDNMD-UHFFFAOYSA-N -1 1 281.283 1.709 20 0 CDADMM COCC[N@@H+](CCC(=O)[O-])Cc1ccc(C)c(C(=O)[O-])c1 ZINC001606886813 1164024557 /nfs/dbraw/zinc/02/45/57/1164024557.db2.gz AVZIYXRFTBJYGV-UHFFFAOYSA-N -1 1 295.335 1.616 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@H]1CCCS1 ZINC001606932823 1164033149 /nfs/dbraw/zinc/03/31/49/1164033149.db2.gz AWCBNYXFCCIJFM-MRVPVSSYSA-N -1 1 276.325 1.096 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@H]1CCCS1 ZINC001606932823 1164033150 /nfs/dbraw/zinc/03/31/50/1164033150.db2.gz AWCBNYXFCCIJFM-MRVPVSSYSA-N -1 1 276.325 1.096 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC2(CCCC2)C1 ZINC001607022618 1164062624 /nfs/dbraw/zinc/06/26/24/1164062624.db2.gz XJCFXWRFTPNABS-UHFFFAOYSA-N -1 1 298.350 1.668 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC2(CCCC2)C1 ZINC001607022618 1164062627 /nfs/dbraw/zinc/06/26/27/1164062627.db2.gz XJCFXWRFTPNABS-UHFFFAOYSA-N -1 1 298.350 1.668 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CC(CC2CC2)C1 ZINC001607025562 1164062850 /nfs/dbraw/zinc/06/28/50/1164062850.db2.gz JSVVDCBODCEPIN-UHFFFAOYSA-N -1 1 284.323 1.134 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CC(CC2CC2)C1 ZINC001607025562 1164062854 /nfs/dbraw/zinc/06/28/54/1164062854.db2.gz JSVVDCBODCEPIN-UHFFFAOYSA-N -1 1 284.323 1.134 20 0 CDADMM c1cc(N[C@@H]2CCC[C@@H]3C[C@@H]32)cc(-c2nnn[n-]2)n1 ZINC001607119975 1164104510 /nfs/dbraw/zinc/10/45/10/1164104510.db2.gz ORTCALGSNJQCQG-DVVUODLYSA-N -1 1 256.313 1.284 20 0 CDADMM c1cc(N[C@@H]2CCC[C@@H]3C[C@@H]32)cc(-c2nn[n-]n2)n1 ZINC001607119975 1164104515 /nfs/dbraw/zinc/10/45/15/1164104515.db2.gz ORTCALGSNJQCQG-DVVUODLYSA-N -1 1 256.313 1.284 20 0 CDADMM c1ccc(-c2noc(-c3cccc(-c4nnn[n-]4)n3)n2)nc1 ZINC001607129090 1164109462 /nfs/dbraw/zinc/10/94/62/1164109462.db2.gz VOZTWVKSUYNPNM-UHFFFAOYSA-N -1 1 292.262 1.374 20 0 CDADMM c1ccc(-c2noc(-c3cccc(-c4nn[n-]n4)n3)n2)nc1 ZINC001607129090 1164109466 /nfs/dbraw/zinc/10/94/66/1164109466.db2.gz VOZTWVKSUYNPNM-UHFFFAOYSA-N -1 1 292.262 1.374 20 0 CDADMM c1ccc2c(c1)CON(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001607132264 1164109700 /nfs/dbraw/zinc/10/97/00/1164109700.db2.gz AEQDWGAITVWCLD-UHFFFAOYSA-N -1 1 281.279 1.109 20 0 CDADMM c1ccc2c(c1)CON(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001607132264 1164109706 /nfs/dbraw/zinc/10/97/06/1164109706.db2.gz AEQDWGAITVWCLD-UHFFFAOYSA-N -1 1 281.279 1.109 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@H]2C[C@H]2C2CCCC2)n1 ZINC001607133464 1164113558 /nfs/dbraw/zinc/11/35/58/1164113558.db2.gz GSNLEGLFJRVARQ-MNOVXSKESA-N -1 1 285.355 1.895 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@H]2C[C@H]2C2CCCC2)n1 ZINC001607133464 1164113562 /nfs/dbraw/zinc/11/35/62/1164113562.db2.gz GSNLEGLFJRVARQ-MNOVXSKESA-N -1 1 285.355 1.895 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2C[C@H](C3CC3)C[C@@H]2C2CC2)n1 ZINC001607136662 1164116521 /nfs/dbraw/zinc/11/65/21/1164116521.db2.gz NOQCSGKKFRVVME-DGCLKSJQSA-N -1 1 297.366 1.672 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2C[C@H](C3CC3)C[C@@H]2C2CC2)n1 ZINC001607136662 1164116522 /nfs/dbraw/zinc/11/65/22/1164116522.db2.gz NOQCSGKKFRVVME-DGCLKSJQSA-N -1 1 297.366 1.672 20 0 CDADMM C[C@@H](NCC(=O)NCCC(=O)[O-])c1cccc(Cl)c1 ZINC001607422377 1164174874 /nfs/dbraw/zinc/17/48/74/1164174874.db2.gz SWBDUOSSYVJRRM-SECBINFHSA-N -1 1 284.743 1.582 20 0 CDADMM C[C@H]1CN(C(=O)[C@H]2CCc3nc[nH]c3C2)C[C@]1(C)C(=O)[O-] ZINC001607469033 1164192557 /nfs/dbraw/zinc/19/25/57/1164192557.db2.gz UEUGIGGTLSFKAA-YHAQOWFVSA-N -1 1 291.351 1.084 20 0 CDADMM Cc1[nH]c(CN[C@@H]2CCCc3c[nH]nc32)cc1C(=O)[O-] ZINC001607496754 1164208977 /nfs/dbraw/zinc/20/89/77/1164208977.db2.gz FTBABAFSTHKSDL-GFCCVEGCSA-N -1 1 274.324 1.912 20 0 CDADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)N[C@H]1CC[C@H]1C(=O)[O-] ZINC001607500541 1164210290 /nfs/dbraw/zinc/21/02/90/1164210290.db2.gz RKDPBRBOECWDET-RITPCOANSA-N -1 1 291.229 1.330 20 0 CDADMM Cc1cc(C[C@@H](C)Nc2ccc(C(=O)[O-])nn2)[nH]n1 ZINC001607637543 1164247312 /nfs/dbraw/zinc/24/73/12/1164247312.db2.gz HWGLVUBXFZKORH-SSDOTTSWSA-N -1 1 261.285 1.249 20 0 CDADMM Cc1cccnc1[C@@H](C)N[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001607888814 1164323427 /nfs/dbraw/zinc/32/34/27/1164323427.db2.gz ZXMHNKUXIFUMRD-VXGBXAGGSA-N -1 1 291.351 1.116 20 0 CDADMM Cc1cccnc1[C@H](C)N[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001607888812 1164323470 /nfs/dbraw/zinc/32/34/70/1164323470.db2.gz ZXMHNKUXIFUMRD-NWDGAFQWSA-N -1 1 291.351 1.116 20 0 CDADMM Cn1nncc1CNc1[nH]c2cccc(C(=O)[O-])c2[nH+]1 ZINC001608168337 1164432048 /nfs/dbraw/zinc/43/20/48/1164432048.db2.gz ROMIOWMLTORZII-UHFFFAOYSA-N -1 1 272.268 1.002 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)Cc1[nH]nc2ccccc21 ZINC001608372194 1164500326 /nfs/dbraw/zinc/50/03/26/1164500326.db2.gz HVLNKEKYLOTJFO-GHMZBOCLSA-N -1 1 287.319 1.475 20 0 CDADMM O=C([O-])[C@H]1C[C@H](O)CN1Cc1nccc2ccccc21 ZINC001608607648 1164571338 /nfs/dbraw/zinc/57/13/38/1164571338.db2.gz NEMXETFOMQQHHW-SMDDNHRTSA-N -1 1 272.304 1.255 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](O)CN1Cc1cccc(-c2ccccn2)c1 ZINC001608608229 1164572431 /nfs/dbraw/zinc/57/24/31/1164572431.db2.gz WBNIMSKYNJCNJB-HOCLYGCPSA-N -1 1 298.342 1.768 20 0 CDADMM O=C([O-])COc1cccc(CNC[C@H](O)C(F)(F)F)c1 ZINC001608763836 1164631711 /nfs/dbraw/zinc/63/17/11/1164631711.db2.gz JLHXMYXLRKXYBC-JTQLQIEISA-N -1 1 293.241 1.163 20 0 CDADMM O=C([O-])CSCCC(=O)Nc1ccc2cncn2c1 ZINC001608767196 1164632716 /nfs/dbraw/zinc/63/27/16/1164632716.db2.gz PUWBABSWWYCRMU-UHFFFAOYSA-N -1 1 279.321 1.481 20 0 CDADMM O=C([O-])c1cc(-n2cc([C@H]3CCCCN3)nn2)ccn1 ZINC001608832702 1164655329 /nfs/dbraw/zinc/65/53/29/1164655329.db2.gz AVHJZTARWKFXSI-SNVBAGLBSA-N -1 1 273.296 1.175 20 0 CDADMM O=C([O-])c1ccc(CN[C@@H](CO)CC(F)(F)F)c(F)c1 ZINC001608885499 1164675740 /nfs/dbraw/zinc/67/57/40/1164675740.db2.gz KWJQMTXDXUYDSL-SECBINFHSA-N -1 1 295.232 1.927 20 0 CDADMM O=C([O-])c1ccc2c(c1)CN(C[C@@]1(O)CCCOC1)C2 ZINC001608923217 1164684643 /nfs/dbraw/zinc/68/46/43/1164684643.db2.gz FWARKBJGAIVXHX-HNNXBMFYSA-N -1 1 277.320 1.242 20 0 CDADMM O=C([O-])c1cccc(CN2CCC3(CC2)OCCCO3)n1 ZINC001608930808 1164687173 /nfs/dbraw/zinc/68/71/73/1164687173.db2.gz FISMQULOHCPYLB-UHFFFAOYSA-N -1 1 292.335 1.509 20 0 CDADMM O=C([O-])c1coc(CN2CCC3(CCO3)CC2)c1 ZINC001608987096 1164709541 /nfs/dbraw/zinc/70/95/41/1164709541.db2.gz DAEPWJHIAIRRTE-UHFFFAOYSA-N -1 1 251.282 1.733 20 0 CDADMM O=C([O-])[C@H](c1ccccc1Cl)N1CCNC(=O)CC1 ZINC001609039287 1164737600 /nfs/dbraw/zinc/73/76/00/1164737600.db2.gz UEEQXFDEUBEINO-LBPRGKRZSA-N -1 1 282.727 1.288 20 0 CDADMM CC(C)Cc1noc(-c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001609097393 1164771927 /nfs/dbraw/zinc/77/19/27/1164771927.db2.gz AJDXVIRGCWEKSK-UHFFFAOYSA-N -1 1 271.284 1.510 20 0 CDADMM CC(C)Cc1noc(-c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001609097393 1164771932 /nfs/dbraw/zinc/77/19/32/1164771932.db2.gz AJDXVIRGCWEKSK-UHFFFAOYSA-N -1 1 271.284 1.510 20 0 CDADMM C[C@@]1(CNC(=O)c2csc(-c3nn[n-]n3)c2)CCOC1 ZINC001609149514 1164795313 /nfs/dbraw/zinc/79/53/13/1164795313.db2.gz PBJJBAXZGMZMTQ-LBPRGKRZSA-N -1 1 293.352 1.085 20 0 CDADMM CC[C@H]1CN(c2cccnc2-c2nnn[n-]2)CCS1 ZINC001609202366 1164840774 /nfs/dbraw/zinc/84/07/74/1164840774.db2.gz FSTYSKJORDZSOL-VIFPVBQESA-N -1 1 276.369 1.594 20 0 CDADMM CC[C@H]1CN(c2cccnc2-c2nn[n-]n2)CCS1 ZINC001609202366 1164840780 /nfs/dbraw/zinc/84/07/80/1164840780.db2.gz FSTYSKJORDZSOL-VIFPVBQESA-N -1 1 276.369 1.594 20 0 CDADMM CCc1ncc(CNc2cccnc2-c2nnn[n-]2)o1 ZINC001609254894 1164867886 /nfs/dbraw/zinc/86/78/86/1164867886.db2.gz KDYCRFRUMXPFJY-UHFFFAOYSA-N -1 1 271.284 1.424 20 0 CDADMM CCc1ncc(CNc2cccnc2-c2nn[n-]n2)o1 ZINC001609254894 1164867889 /nfs/dbraw/zinc/86/78/89/1164867889.db2.gz KDYCRFRUMXPFJY-UHFFFAOYSA-N -1 1 271.284 1.424 20 0 CDADMM CN(C(=O)c1cccc(-c2nnn[n-]2)n1)C1(C)CCCC1 ZINC001609262776 1164872012 /nfs/dbraw/zinc/87/20/12/1164872012.db2.gz QJMDOTVRECUJPO-UHFFFAOYSA-N -1 1 286.339 1.666 20 0 CDADMM CN(C(=O)c1cccc(-c2nn[n-]n2)n1)C1(C)CCCC1 ZINC001609262776 1164872016 /nfs/dbraw/zinc/87/20/16/1164872016.db2.gz QJMDOTVRECUJPO-UHFFFAOYSA-N -1 1 286.339 1.666 20 0 CDADMM CN(Cc1cccc(O)c1)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609280661 1164881350 /nfs/dbraw/zinc/88/13/50/1164881350.db2.gz RNZRZKVAIBHFLJ-UHFFFAOYSA-N -1 1 299.290 1.438 20 0 CDADMM COC(=O)CCCCNc1snc(C)c1-c1nn[n-]n1 ZINC001609298025 1164883395 /nfs/dbraw/zinc/88/33/95/1164883395.db2.gz LKTPEJDIFCTBTO-UHFFFAOYSA-N -1 1 296.356 1.387 20 0 CDADMM CO[C@@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2 ZINC001609313661 1164894505 /nfs/dbraw/zinc/89/45/05/1164894505.db2.gz PGDPFSBDDQAFIP-NXEZZACHSA-N -1 1 287.327 1.026 20 0 CDADMM CO[C@@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2 ZINC001609313661 1164894516 /nfs/dbraw/zinc/89/45/16/1164894516.db2.gz PGDPFSBDDQAFIP-NXEZZACHSA-N -1 1 287.327 1.026 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H]2c2ncc[nH]2)n1 ZINC001609391731 1164921777 /nfs/dbraw/zinc/92/17/77/1164921777.db2.gz TVPILMLPVXMHJZ-JTQLQIEISA-N -1 1 297.326 1.030 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H]2c2ncc[nH]2)n1 ZINC001609391731 1164921782 /nfs/dbraw/zinc/92/17/82/1164921782.db2.gz TVPILMLPVXMHJZ-JTQLQIEISA-N -1 1 297.326 1.030 20 0 CDADMM Cc1cc(COC(=O)c2cc(-c3nnn[n-]3)oc2C)on1 ZINC001609402804 1164931809 /nfs/dbraw/zinc/93/18/09/1164931809.db2.gz UAWXYUQDQNXWDY-UHFFFAOYSA-N -1 1 289.251 1.422 20 0 CDADMM Cc1cc(COC(=O)c2cc(-c3nn[n-]n3)oc2C)on1 ZINC001609402804 1164931814 /nfs/dbraw/zinc/93/18/14/1164931814.db2.gz UAWXYUQDQNXWDY-UHFFFAOYSA-N -1 1 289.251 1.422 20 0 CDADMM Cc1cccc(CNc2cccnc2-c2nnn[n-]2)n1 ZINC001609431450 1164942358 /nfs/dbraw/zinc/94/23/58/1164942358.db2.gz IARWRDIZGIQVSC-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1cccc(CNc2cccnc2-c2nn[n-]n2)n1 ZINC001609431450 1164942364 /nfs/dbraw/zinc/94/23/64/1164942364.db2.gz IARWRDIZGIQVSC-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1cccc(C)c1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001609430616 1164943416 /nfs/dbraw/zinc/94/34/16/1164943416.db2.gz HAXXPHRXSGSHMZ-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1cccc(C)c1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001609430616 1164943417 /nfs/dbraw/zinc/94/34/17/1164943417.db2.gz HAXXPHRXSGSHMZ-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(N[C@H](CO)C2CCCC2)nc1-c1nnn[n-]1 ZINC001609426377 1164944227 /nfs/dbraw/zinc/94/42/27/1164944227.db2.gz QFDZWCPYECPIPR-LLVKDONJSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(N[C@H](CO)C2CCCC2)nc1-c1nn[n-]n1 ZINC001609426377 1164944232 /nfs/dbraw/zinc/94/42/32/1164944232.db2.gz QFDZWCPYECPIPR-LLVKDONJSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1nnc(CNc2cccnc2-c2nnn[n-]2)n1C1CC1 ZINC001609461273 1164957792 /nfs/dbraw/zinc/95/77/92/1164957792.db2.gz UTAOBMMUVLIFGG-UHFFFAOYSA-N -1 1 297.326 1.109 20 0 CDADMM Cc1nnc(CNc2cccnc2-c2nn[n-]n2)n1C1CC1 ZINC001609461273 1164957797 /nfs/dbraw/zinc/95/77/97/1164957797.db2.gz UTAOBMMUVLIFGG-UHFFFAOYSA-N -1 1 297.326 1.109 20 0 CDADMM Fc1ccccc1Cn1ccn2ncc(-c3nn[n-]n3)c12 ZINC001609492602 1164974388 /nfs/dbraw/zinc/97/43/88/1164974388.db2.gz OCJAFQOUMOEHPU-UHFFFAOYSA-N -1 1 283.270 1.503 20 0 CDADMM CC(=CCN[C@@H](c1nnc[nH]1)c1ccccc1)C(=O)[O-] ZINC001609503131 1164978783 /nfs/dbraw/zinc/97/87/83/1164978783.db2.gz CPGSCRZWNORYPJ-OFFHKIPUSA-N -1 1 272.308 1.515 20 0 CDADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC[C@H]1C1CC1 ZINC001609585063 1164998766 /nfs/dbraw/zinc/99/87/66/1164998766.db2.gz WJNWKCCCYMGNNK-VIFPVBQESA-N -1 1 275.337 1.553 20 0 CDADMM c1cc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001609614665 1165010460 /nfs/dbraw/zinc/01/04/60/1165010460.db2.gz HBLHJJJTXVGRAQ-OPRDCNLKSA-N -1 1 256.313 1.284 20 0 CDADMM c1cc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001609614665 1165010470 /nfs/dbraw/zinc/01/04/70/1165010470.db2.gz HBLHJJJTXVGRAQ-OPRDCNLKSA-N -1 1 256.313 1.284 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N2CCO[C@@H](C3CCC3)C2)c1 ZINC001609619699 1165014637 /nfs/dbraw/zinc/01/46/37/1165014637.db2.gz YJGGGRYOBHKKDY-GFCCVEGCSA-N -1 1 286.339 1.267 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N2CCO[C@@H](C3CCC3)C2)c1 ZINC001609619699 1165014644 /nfs/dbraw/zinc/01/46/44/1165014644.db2.gz YJGGGRYOBHKKDY-GFCCVEGCSA-N -1 1 286.339 1.267 20 0 CDADMM c1cnc2cc(Oc3cc(-c4nnn[n-]4)ncn3)ccc2c1 ZINC001609619529 1165014703 /nfs/dbraw/zinc/01/47/03/1165014703.db2.gz TYASAKRNJPHYBT-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1cnc2cc(Oc3cc(-c4nn[n-]n4)ncn3)ccc2c1 ZINC001609619529 1165014705 /nfs/dbraw/zinc/01/47/05/1165014705.db2.gz TYASAKRNJPHYBT-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1ncc(N2CC3(C2)CCCCC3)nc1-c1nnn[n-]1 ZINC001609621126 1165018170 /nfs/dbraw/zinc/01/81/70/1165018170.db2.gz RCEHLAUIBUCRCD-UHFFFAOYSA-N -1 1 271.328 1.427 20 0 CDADMM c1ncc(N2CC3(C2)CCCCC3)nc1-c1nn[n-]n1 ZINC001609621126 1165018176 /nfs/dbraw/zinc/01/81/76/1165018176.db2.gz RCEHLAUIBUCRCD-UHFFFAOYSA-N -1 1 271.328 1.427 20 0 CDADMM CC1=CCN(CCNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC001609829011 1165100471 /nfs/dbraw/zinc/10/04/71/1165100471.db2.gz UHEUXDGNTHKFAH-KGLIPLIRSA-N -1 1 294.395 1.646 20 0 CDADMM CCn1nncc1CNc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001610088809 1165212848 /nfs/dbraw/zinc/21/28/48/1165212848.db2.gz ZZZHKGCQGKJVRO-UHFFFAOYSA-N -1 1 286.295 1.485 20 0 CDADMM COc1cc(F)cc(CN2CCC([C@H](O)C(=O)[O-])CC2)c1 ZINC001610296860 1165285164 /nfs/dbraw/zinc/28/51/64/1165285164.db2.gz GEZKZOCBJVGMJX-AWEZNQCLSA-N -1 1 297.326 1.492 20 0 CDADMM O=C(Nc1ccncc1[O-])c1ccnc(-c2ccccc2)n1 ZINC001610371573 1165297461 /nfs/dbraw/zinc/29/74/61/1165297461.db2.gz CXQNGPBPBJZNHA-UHFFFAOYSA-N -1 1 292.298 1.918 20 0 CDADMM O=C([O-])c1ccccc1CCN1CCN2C(=O)CC[C@@H]2C1 ZINC001610851987 1165462782 /nfs/dbraw/zinc/46/27/82/1165462782.db2.gz MZIGZNHNDFROLV-CYBMUJFWSA-N -1 1 288.347 1.234 20 0 CDADMM Cc1ccc(F)c(OCC(=O)Nc2c[n-][nH]c2=O)c1 ZINC001611380849 1165491882 /nfs/dbraw/zinc/49/18/82/1165491882.db2.gz ZNSBBKAGKUZVCY-UHFFFAOYSA-N -1 1 265.244 1.580 20 0 CDADMM CN(C(=O)c1cc(F)cc2ccoc21)c1nn[n-]n1 ZINC001617642018 1165603461 /nfs/dbraw/zinc/60/34/61/1165603461.db2.gz JEEQZAZCBMWXSK-UHFFFAOYSA-N -1 1 261.216 1.362 20 0 CDADMM O=C(NCc1c[nH]c(=O)[nH]1)c1ncc2ccccc2c1[O-] ZINC001625545448 1165914509 /nfs/dbraw/zinc/91/45/09/1165914509.db2.gz GKERWQMQZOQRQF-UHFFFAOYSA-N -1 1 284.275 1.299 20 0 CDADMM O=C(NCCc1cnoc1)c1ncc2ccccc2c1[O-] ZINC001629529823 1166145930 /nfs/dbraw/zinc/14/59/30/1166145930.db2.gz VLBVLECCNYXHOM-UHFFFAOYSA-N -1 1 283.287 1.901 20 0 CDADMM Cc1nnc(NC(=O)c2cccc([O-])c2F)n1C ZINC001633879895 1166456639 /nfs/dbraw/zinc/45/66/39/1166456639.db2.gz QXLPADQERCNNPU-UHFFFAOYSA-N -1 1 250.233 1.221 20 0 CDADMM COc1cccc(-c2nnc(SCc3nn[n-]n3)o2)c1 ZINC000095318304 1166622837 /nfs/dbraw/zinc/62/28/37/1166622837.db2.gz IVEVONUIXHFYJF-UHFFFAOYSA-N -1 1 290.308 1.551 20 0 CDADMM O=C(Nc1cnc2[nH]ccc2c1)c1cncc([O-])c1 ZINC001637842679 1166789193 /nfs/dbraw/zinc/78/91/93/1166789193.db2.gz TZZPXMUYIWPIHW-UHFFFAOYSA-N -1 1 254.249 1.867 20 0 CDADMM O=C(NCc1cc(=O)cc[nH]1)c1cc(F)ccc1[O-] ZINC001638603921 1166857745 /nfs/dbraw/zinc/85/77/45/1166857745.db2.gz XVJIWWKIBIAKDZ-UHFFFAOYSA-N -1 1 262.240 1.150 20 0 CDADMM CC[C@H]1C[C@@H](CC(=O)Nc2c[n-][nH]c2=O)CCO1 ZINC001638735300 1166867140 /nfs/dbraw/zinc/86/71/40/1166867140.db2.gz BXCAUTXAQSLSOE-IUCAKERBSA-N -1 1 253.302 1.649 20 0 CDADMM CC(C)(C)C[C@H](CO)NC(=O)c1ccc([O-])cn1 ZINC001151702048 1167088272 /nfs/dbraw/zinc/08/82/72/1167088272.db2.gz ONMIOIDLKLBMEJ-SECBINFHSA-N -1 1 252.314 1.314 20 0 CDADMM CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)c1nn[n-]n1 ZINC001647397371 1168645222 /nfs/dbraw/zinc/64/52/22/1168645222.db2.gz BZOXCJVSCJCVBY-SECBINFHSA-N -1 1 295.730 1.674 20 0 CDADMM CC[C@H](Oc1ccccc1Cl)C(=O)N(C)c1nn[n-]n1 ZINC001647397372 1168645422 /nfs/dbraw/zinc/64/54/22/1168645422.db2.gz BZOXCJVSCJCVBY-VIFPVBQESA-N -1 1 295.730 1.674 20 0 CDADMM CCCN(CC1CC1)c1nnc(Cc2nnn[n-]2)n1CC ZINC001647698917 1169028325 /nfs/dbraw/zinc/02/83/25/1169028325.db2.gz DNQHUYLRDYSYKY-UHFFFAOYSA-N -1 1 290.375 1.028 20 0 CDADMM CCCN(CC1CC1)c1nnc(Cc2nn[n-]n2)n1CC ZINC001647698917 1169028335 /nfs/dbraw/zinc/02/83/35/1169028335.db2.gz DNQHUYLRDYSYKY-UHFFFAOYSA-N -1 1 290.375 1.028 20 0 CDADMM Cc1ccc(Cl)cc1CNC(=O)CCCc1nn[n-]n1 ZINC001650204136 1169847978 /nfs/dbraw/zinc/84/79/78/1169847978.db2.gz MQGBBZVDJQBHNU-UHFFFAOYSA-N -1 1 293.758 1.801 20 0 CDADMM CCN(CC(=O)N1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]1C)C1CC1 ZINC001573769998 1170769826 /nfs/dbraw/zinc/76/98/26/1170769826.db2.gz KPUMQKIZNFEJOC-YFCNSXCBSA-N -1 1 296.411 1.817 20 0 CDADMM CO[C@H](c1ccccc1)[C@H](C)NCc1nc(C(=O)[O-])n[nH]1 ZINC001573947922 1170837452 /nfs/dbraw/zinc/83/74/52/1170837452.db2.gz DLWGHFGUFZETFF-CABZTGNLSA-N -1 1 290.323 1.369 20 0 CDADMM Cc1nc(C2(NC[C@@H]3C[C@H]3C(=O)[O-])CCCC2)no1 ZINC001574187323 1170908457 /nfs/dbraw/zinc/90/84/57/1170908457.db2.gz HGGVMKFSWUQENM-VHSXEESVSA-N -1 1 265.313 1.458 20 0 CDADMM O=C([O-])c1cccc(CN[C@@H]2CCCCC23OCCO3)n1 ZINC001574415740 1170976088 /nfs/dbraw/zinc/97/60/88/1170976088.db2.gz WEDOODJISNSDSU-CYBMUJFWSA-N -1 1 292.335 1.555 20 0 CDADMM O=C([O-])C1(CC(F)F)CCN([C@H]2CCCNC2=O)CC1 ZINC001574435934 1170981077 /nfs/dbraw/zinc/98/10/77/1170981077.db2.gz XZJCXMBBGHPEHR-VIFPVBQESA-N -1 1 290.310 1.087 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1ccc2c(c1)[nH]c(=O)n2C1CC1 ZINC001654603314 1171623189 /nfs/dbraw/zinc/62/31/89/1171623189.db2.gz IVAJREXUUSLDAA-UHFFFAOYSA-N -1 1 299.290 1.758 20 0 CDADMM CC(=O)c1ccc(CC(=O)Nc2c[n-][nH]c2=O)cc1 ZINC001654603490 1171625282 /nfs/dbraw/zinc/62/52/82/1171625282.db2.gz PRRWMKCQRMOCBC-UHFFFAOYSA-N -1 1 259.265 1.499 20 0 CDADMM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc2nccn2c1 ZINC000074859554 1172080735 /nfs/dbraw/zinc/08/07/35/1172080735.db2.gz DUVRHXXWIWTTAH-UHFFFAOYSA-N -1 1 291.336 1.475 20 0 CDADMM O=C([N-]OCC1CCC1)[C@H]1NCCOc2ccccc21 ZINC001580742844 1172525880 /nfs/dbraw/zinc/52/58/80/1172525880.db2.gz HGHAPAXXLPNRDU-AWEZNQCLSA-N -1 1 276.336 1.558 20 0 CDADMM Cc1cc(F)cc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001580938039 1172571163 /nfs/dbraw/zinc/57/11/63/1172571163.db2.gz SHKBDYDDIVUFJO-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1cc(F)cc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001580938039 1172571169 /nfs/dbraw/zinc/57/11/69/1172571169.db2.gz SHKBDYDDIVUFJO-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001581142219 1172589958 /nfs/dbraw/zinc/58/99/58/1172589958.db2.gz CSUYGBLSKYHGDY-UHFFFAOYSA-N -1 1 294.318 1.847 20 0 CDADMM Cc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001581142219 1172589961 /nfs/dbraw/zinc/58/99/61/1172589961.db2.gz CSUYGBLSKYHGDY-UHFFFAOYSA-N -1 1 294.318 1.847 20 0 CDADMM O=C(Nc1cccc(CO)c1)c1coc(-c2nnn[n-]2)c1 ZINC001582644290 1172687449 /nfs/dbraw/zinc/68/74/49/1172687449.db2.gz CGPZDTDYDZJKLT-UHFFFAOYSA-N -1 1 285.263 1.204 20 0 CDADMM O=C(Nc1cccc(CO)c1)c1coc(-c2nn[n-]n2)c1 ZINC001582644290 1172687452 /nfs/dbraw/zinc/68/74/52/1172687452.db2.gz CGPZDTDYDZJKLT-UHFFFAOYSA-N -1 1 285.263 1.204 20 0 CDADMM O=C(Nc1cnc2[nH]ccc2c1)c1ccc(-c2nn[n-]n2)o1 ZINC001582650431 1172687690 /nfs/dbraw/zinc/68/76/90/1172687690.db2.gz SMSUCASDSATFEO-UHFFFAOYSA-N -1 1 295.262 1.540 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cccs1 ZINC001582644737 1172687957 /nfs/dbraw/zinc/68/79/57/1172687957.db2.gz MLAKVDSFULWWCM-UHFFFAOYSA-N -1 1 272.293 1.576 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cccs1 ZINC001582644737 1172687960 /nfs/dbraw/zinc/68/79/60/1172687960.db2.gz MLAKVDSFULWWCM-UHFFFAOYSA-N -1 1 272.293 1.576 20 0 CDADMM Cc1cc(C(=O)N(C)c2nn[n-]n2)nc2ccccc12 ZINC001586261930 1172938465 /nfs/dbraw/zinc/93/84/65/1172938465.db2.gz AWWBDANJVWKLQE-UHFFFAOYSA-N -1 1 268.280 1.333 20 0 CDADMM CC(C)(C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])C1CC1 ZINC001589058116 1173122705 /nfs/dbraw/zinc/12/27/05/1173122705.db2.gz JJWULPCUGOQUEJ-UHFFFAOYSA-N -1 1 287.323 1.947 20 0 CDADMM CC(C)(C)C(F)(F)CNc1ncncc1-c1nn[n-]n1 ZINC001589092901 1173123965 /nfs/dbraw/zinc/12/39/65/1173123965.db2.gz RHRYGQPNLQLVGJ-UHFFFAOYSA-N -1 1 283.286 1.750 20 0 CDADMM CC(C)[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001589501280 1173151958 /nfs/dbraw/zinc/15/19/58/1173151958.db2.gz YNIFKNXFQRXRSH-MWLCHTKSSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001589501280 1173151963 /nfs/dbraw/zinc/15/19/63/1173151963.db2.gz YNIFKNXFQRXRSH-MWLCHTKSSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)[C@H]1N(c2ccc(-c3nnn[n-]3)nn2)CC12CC=CC2 ZINC001589520079 1173152834 /nfs/dbraw/zinc/15/28/34/1173152834.db2.gz OGEWMEOOYDQPEQ-CYBMUJFWSA-N -1 1 297.366 1.838 20 0 CDADMM CC(C)[C@H]1N(c2ccc(-c3nn[n-]n3)nn2)CC12CC=CC2 ZINC001589520079 1173152839 /nfs/dbraw/zinc/15/28/39/1173152839.db2.gz OGEWMEOOYDQPEQ-CYBMUJFWSA-N -1 1 297.366 1.838 20 0 CDADMM CC(C)O[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001589739160 1173171841 /nfs/dbraw/zinc/17/18/41/1173171841.db2.gz FFXHDPAUSZYQMJ-SNVBAGLBSA-N -1 1 289.343 1.051 20 0 CDADMM CC(C)O[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001589739160 1173171844 /nfs/dbraw/zinc/17/18/44/1173171844.db2.gz FFXHDPAUSZYQMJ-SNVBAGLBSA-N -1 1 289.343 1.051 20 0 CDADMM CC(C)c1ccccc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001589772780 1173176785 /nfs/dbraw/zinc/17/67/85/1173176785.db2.gz SAJCNZSZRYYIPH-UHFFFAOYSA-N -1 1 297.322 1.966 20 0 CDADMM CC(C)c1ccccc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001589772780 1173176799 /nfs/dbraw/zinc/17/67/99/1173176799.db2.gz SAJCNZSZRYYIPH-UHFFFAOYSA-N -1 1 297.322 1.966 20 0 CDADMM CC(C)n1cc(OC(=O)c2coc(-c3nnn[n-]3)c2)cn1 ZINC001589782467 1173179917 /nfs/dbraw/zinc/17/99/17/1173179917.db2.gz VRUPMYAKIFRRSA-UHFFFAOYSA-N -1 1 288.267 1.456 20 0 CDADMM CC(C)n1cc(OC(=O)c2coc(-c3nn[n-]n3)c2)cn1 ZINC001589782467 1173179921 /nfs/dbraw/zinc/17/99/21/1173179921.db2.gz VRUPMYAKIFRRSA-UHFFFAOYSA-N -1 1 288.267 1.456 20 0 CDADMM C[C@@H](CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1ccccc1 ZINC001589794084 1173181361 /nfs/dbraw/zinc/18/13/61/1173181361.db2.gz HBEQQHCPCXYSMJ-VIFPVBQESA-N -1 1 297.322 1.722 20 0 CDADMM C[C@H](Cc1ccccc1F)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001589899194 1173198485 /nfs/dbraw/zinc/19/84/85/1173198485.db2.gz GHGXLISPDFLVAA-SECBINFHSA-N -1 1 299.313 1.839 20 0 CDADMM C[C@H](Cc1ccccc1F)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001589899194 1173198488 /nfs/dbraw/zinc/19/84/88/1173198488.db2.gz GHGXLISPDFLVAA-SECBINFHSA-N -1 1 299.313 1.839 20 0 CDADMM CC1(C)C[C@]1(C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001590087815 1173250534 /nfs/dbraw/zinc/25/05/34/1173250534.db2.gz YXLJPFYGPDUPHA-GFCCVEGCSA-N -1 1 259.317 1.505 20 0 CDADMM CC1(C)C[C@]1(C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001590087815 1173250543 /nfs/dbraw/zinc/25/05/43/1173250543.db2.gz YXLJPFYGPDUPHA-GFCCVEGCSA-N -1 1 259.317 1.505 20 0 CDADMM CC1(C)CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)O1 ZINC001590092991 1173254240 /nfs/dbraw/zinc/25/42/40/1173254240.db2.gz FBSHMLLJCSZBHL-SECBINFHSA-N -1 1 289.343 1.416 20 0 CDADMM CC1(C)CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)O1 ZINC001590092991 1173254243 /nfs/dbraw/zinc/25/42/43/1173254243.db2.gz FBSHMLLJCSZBHL-SECBINFHSA-N -1 1 289.343 1.416 20 0 CDADMM CC1(C)CC[C@H](COc2cccnc2-c2nnn[n-]2)OC1 ZINC001590090669 1173255340 /nfs/dbraw/zinc/25/53/40/1173255340.db2.gz NCKVREXFYGFCCG-SNVBAGLBSA-N -1 1 289.339 1.846 20 0 CDADMM CC1(C)CC[C@H](COc2cccnc2-c2nn[n-]n2)OC1 ZINC001590090669 1173255344 /nfs/dbraw/zinc/25/53/44/1173255344.db2.gz NCKVREXFYGFCCG-SNVBAGLBSA-N -1 1 289.339 1.846 20 0 CDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)Cc2ccccc2C1 ZINC001590149415 1173272684 /nfs/dbraw/zinc/27/26/84/1173272684.db2.gz IHHKEFZHHZOJTO-UHFFFAOYSA-N -1 1 293.334 1.626 20 0 CDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)Cc2ccccc2C1 ZINC001590149415 1173272688 /nfs/dbraw/zinc/27/26/88/1173272688.db2.gz IHHKEFZHHZOJTO-UHFFFAOYSA-N -1 1 293.334 1.626 20 0 CDADMM CC12CC(C1)CN2C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590153010 1173276532 /nfs/dbraw/zinc/27/65/32/1173276532.db2.gz QCEPCAXLRPGRNY-UHFFFAOYSA-N -1 1 275.337 1.553 20 0 CDADMM C[C@@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)c2nccn21 ZINC001590208120 1173293262 /nfs/dbraw/zinc/29/32/62/1173293262.db2.gz KXKDKFVPVHEJNU-PSASIEDQSA-N -1 1 282.311 1.576 20 0 CDADMM C[C@@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)c2nccn21 ZINC001590208120 1173293267 /nfs/dbraw/zinc/29/32/67/1173293267.db2.gz KXKDKFVPVHEJNU-PSASIEDQSA-N -1 1 282.311 1.576 20 0 CDADMM C[C@@H]1CCC[C@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590244824 1173317436 /nfs/dbraw/zinc/31/74/36/1173317436.db2.gz RRMFTIOSCADCDD-ZJUUUORDSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@@H]1CCC[C@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590244824 1173317442 /nfs/dbraw/zinc/31/74/42/1173317442.db2.gz RRMFTIOSCADCDD-ZJUUUORDSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)[C@H]1C ZINC001590261406 1173323484 /nfs/dbraw/zinc/32/34/84/1173323484.db2.gz PJRMUAPBGSVIPY-BDAKNGLRSA-N -1 1 275.312 1.720 20 0 CDADMM C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)o2)[C@H]1C ZINC001590261406 1173323491 /nfs/dbraw/zinc/32/34/91/1173323491.db2.gz PJRMUAPBGSVIPY-BDAKNGLRSA-N -1 1 275.312 1.720 20 0 CDADMM C/C=C(\C)COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590349323 1173366508 /nfs/dbraw/zinc/36/65/08/1173366508.db2.gz IYQFNWLHEVIFMC-FPYGCLRLSA-N -1 1 259.269 1.385 20 0 CDADMM C/C=C(\C)COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590349323 1173366514 /nfs/dbraw/zinc/36/65/14/1173366514.db2.gz IYQFNWLHEVIFMC-FPYGCLRLSA-N -1 1 259.269 1.385 20 0 CDADMM C/C=C(\C)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001590349654 1173367854 /nfs/dbraw/zinc/36/78/54/1173367854.db2.gz KTCBUJQQVSYIJQ-ZZXKWVIFSA-N -1 1 265.298 1.333 20 0 CDADMM C/C=C(\C)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001590349654 1173367860 /nfs/dbraw/zinc/36/78/60/1173367860.db2.gz KTCBUJQQVSYIJQ-ZZXKWVIFSA-N -1 1 265.298 1.333 20 0 CDADMM C/C=C\C[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590356071 1173374996 /nfs/dbraw/zinc/37/49/96/1173374996.db2.gz XEZFWXWXQKSKDP-QUCGXOGASA-N -1 1 285.355 1.839 20 0 CDADMM C/C=C\C[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590356071 1173374997 /nfs/dbraw/zinc/37/49/97/1173374997.db2.gz XEZFWXWXQKSKDP-QUCGXOGASA-N -1 1 285.355 1.839 20 0 CDADMM CCC(C)(C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001590372875 1173379504 /nfs/dbraw/zinc/37/95/04/1173379504.db2.gz GEYVEOLNVSKSOQ-QMMMGPOBSA-N -1 1 261.333 1.893 20 0 CDADMM CCC(C)(C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001590372875 1173379508 /nfs/dbraw/zinc/37/95/08/1173379508.db2.gz GEYVEOLNVSKSOQ-QMMMGPOBSA-N -1 1 261.333 1.893 20 0 CDADMM CC[C@@H](C)C(=O)COC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590390291 1173385077 /nfs/dbraw/zinc/38/50/77/1173385077.db2.gz CTOPQLTVTLSEQL-SSDOTTSWSA-N -1 1 278.268 1.232 20 0 CDADMM CC[C@@H](C)C(=O)COC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590390291 1173385080 /nfs/dbraw/zinc/38/50/80/1173385080.db2.gz CTOPQLTVTLSEQL-SSDOTTSWSA-N -1 1 278.268 1.232 20 0 CDADMM CCC(C)=C(C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001590386279 1173385349 /nfs/dbraw/zinc/38/53/49/1173385349.db2.gz YFNOJPSFUSRGRD-VOTSOKGWSA-N -1 1 261.289 1.032 20 0 CDADMM CCC1(NC(=O)c2coc(-c3nnn[n-]3)c2)CCC1 ZINC001590497935 1173437099 /nfs/dbraw/zinc/43/70/99/1173437099.db2.gz CKVFNAJGUJNRQG-UHFFFAOYSA-N -1 1 261.285 1.522 20 0 CDADMM CCC1(NC(=O)c2coc(-c3nn[n-]n3)c2)CCC1 ZINC001590497935 1173437103 /nfs/dbraw/zinc/43/71/03/1173437103.db2.gz CKVFNAJGUJNRQG-UHFFFAOYSA-N -1 1 261.285 1.522 20 0 CDADMM CC[C@@H]1[C@H](C)CCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590502247 1173437146 /nfs/dbraw/zinc/43/71/46/1173437146.db2.gz MTJCYEMPLZNPKR-PSASIEDQSA-N -1 1 275.312 1.720 20 0 CDADMM CC[C@@H]1[C@H](C)CCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590502247 1173437151 /nfs/dbraw/zinc/43/71/51/1173437151.db2.gz MTJCYEMPLZNPKR-PSASIEDQSA-N -1 1 275.312 1.720 20 0 CDADMM CC[C@@H]1C[C@H](OC(=O)c2coc(-c3nnn[n-]3)c2)CCO1 ZINC001590503824 1173439932 /nfs/dbraw/zinc/43/99/32/1173439932.db2.gz BUNXRUQYVQYGCD-NXEZZACHSA-N -1 1 292.295 1.574 20 0 CDADMM CC[C@@H]1C[C@H](OC(=O)c2coc(-c3nn[n-]n3)c2)CCO1 ZINC001590503824 1173439938 /nfs/dbraw/zinc/43/99/38/1173439938.db2.gz BUNXRUQYVQYGCD-NXEZZACHSA-N -1 1 292.295 1.574 20 0 CDADMM CC[C@H]1CC[C@@H](C(=O)OCc2ccc(-c3nnn[n-]3)o2)O1 ZINC001590504146 1173441311 /nfs/dbraw/zinc/44/13/11/1173441311.db2.gz CBCDIMGRTJSUIF-KWQFWETISA-N -1 1 292.295 1.461 20 0 CDADMM CC[C@H]1CC[C@@H](C(=O)OCc2ccc(-c3nn[n-]n3)o2)O1 ZINC001590504146 1173441315 /nfs/dbraw/zinc/44/13/15/1173441315.db2.gz CBCDIMGRTJSUIF-KWQFWETISA-N -1 1 292.295 1.461 20 0 CDADMM CC[C@H]1CCC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590510797 1173443321 /nfs/dbraw/zinc/44/33/21/1173443321.db2.gz ZVTHNQGRFMTRHQ-IUCAKERBSA-N -1 1 259.317 1.069 20 0 CDADMM CCCn1cc(Nc2snc(C)c2-c2nn[n-]n2)cn1 ZINC001590664246 1173483434 /nfs/dbraw/zinc/48/34/34/1173483434.db2.gz SRAWNJJFHBKOEW-UHFFFAOYSA-N -1 1 290.356 1.982 20 0 CDADMM CCN(CC1CC1)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590690320 1173491539 /nfs/dbraw/zinc/49/15/39/1173491539.db2.gz LZQLASTVJVCLEX-UHFFFAOYSA-N -1 1 285.355 1.770 20 0 CDADMM CCN(CC1CC1)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590690320 1173491542 /nfs/dbraw/zinc/49/15/42/1173491542.db2.gz LZQLASTVJVCLEX-UHFFFAOYSA-N -1 1 285.355 1.770 20 0 CDADMM CCO[C@H](CC)C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001590797919 1173512783 /nfs/dbraw/zinc/51/27/83/1173512783.db2.gz DZFRHMOPVLSWOB-LLVKDONJSA-N -1 1 290.327 1.040 20 0 CDADMM CCO[C@H](CC)C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001590797919 1173512789 /nfs/dbraw/zinc/51/27/89/1173512789.db2.gz DZFRHMOPVLSWOB-LLVKDONJSA-N -1 1 290.327 1.040 20 0 CDADMM CCc1ccccc1CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001590896834 1173536963 /nfs/dbraw/zinc/53/69/63/1173536963.db2.gz ZPWDEQBZPVMMOR-UHFFFAOYSA-N -1 1 297.322 1.091 20 0 CDADMM CCc1ccccc1COc1cnc(-c2nn[n-]n2)nc1 ZINC001590897449 1173537263 /nfs/dbraw/zinc/53/72/63/1173537263.db2.gz DWFMMYOXDIRMTQ-UHFFFAOYSA-N -1 1 282.307 1.798 20 0 CDADMM CCc1cnc(NC(=O)c2cccc(-c3nnn[n-]3)n2)o1 ZINC001590901380 1173539341 /nfs/dbraw/zinc/53/93/41/1173539341.db2.gz HXMKHXHEOHDFJS-UHFFFAOYSA-N -1 1 285.267 1.064 20 0 CDADMM CCc1cnc(NC(=O)c2cccc(-c3nn[n-]n3)n2)o1 ZINC001590901380 1173539345 /nfs/dbraw/zinc/53/93/45/1173539345.db2.gz HXMKHXHEOHDFJS-UHFFFAOYSA-N -1 1 285.267 1.064 20 0 CDADMM CN(CC1(O)CCC1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001591050783 1173564653 /nfs/dbraw/zinc/56/46/53/1173564653.db2.gz PSWVGRLELYOQIE-UHFFFAOYSA-N -1 1 294.746 1.266 20 0 CDADMM CN(CC1(O)CCC1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001591050783 1173564660 /nfs/dbraw/zinc/56/46/60/1173564660.db2.gz PSWVGRLELYOQIE-UHFFFAOYSA-N -1 1 294.746 1.266 20 0 CDADMM CN(CC1CCCC1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591054993 1173568071 /nfs/dbraw/zinc/56/80/71/1173568071.db2.gz XKCWHYRURMVRLL-UHFFFAOYSA-N -1 1 275.312 1.722 20 0 CDADMM CN(CC1CCCC1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591054993 1173568083 /nfs/dbraw/zinc/56/80/83/1173568083.db2.gz XKCWHYRURMVRLL-UHFFFAOYSA-N -1 1 275.312 1.722 20 0 CDADMM CN(CC1CCC1)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591054809 1173569298 /nfs/dbraw/zinc/56/92/98/1173569298.db2.gz QQOYCJCGFZFYTI-UHFFFAOYSA-N -1 1 261.285 1.332 20 0 CDADMM CN(CC1CCC1)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591054809 1173569303 /nfs/dbraw/zinc/56/93/03/1173569303.db2.gz QQOYCJCGFZFYTI-UHFFFAOYSA-N -1 1 261.285 1.332 20 0 CDADMM CN(Cc1ccsc1)c1cccnc1-c1nnn[n-]1 ZINC001591150826 1173581177 /nfs/dbraw/zinc/58/11/77/1173581177.db2.gz KCWHMLWZKCTGKV-UHFFFAOYSA-N -1 1 272.337 1.960 20 0 CDADMM CN(Cc1ccsc1)c1cccnc1-c1nn[n-]n1 ZINC001591150826 1173581183 /nfs/dbraw/zinc/58/11/83/1173581183.db2.gz KCWHMLWZKCTGKV-UHFFFAOYSA-N -1 1 272.337 1.960 20 0 CDADMM CO[C@@H](C)[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591323882 1173610921 /nfs/dbraw/zinc/61/09/21/1173610921.db2.gz GINPSSTUHZLPLP-UHNVWZDZSA-N -1 1 288.764 1.812 20 0 CDADMM CO[C@@H]1CC[C@H](Nc2cc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001591351401 1173625711 /nfs/dbraw/zinc/62/57/11/1173625711.db2.gz MLSFGRDODJUCCX-VHSXEESVSA-N -1 1 274.328 1.550 20 0 CDADMM CO[C@@H]1CC[C@H](Nc2cc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001591351401 1173625715 /nfs/dbraw/zinc/62/57/15/1173625715.db2.gz MLSFGRDODJUCCX-VHSXEESVSA-N -1 1 274.328 1.550 20 0 CDADMM CO[C@@H]1CCC[C@@H]1CNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001591362273 1173631289 /nfs/dbraw/zinc/63/12/89/1173631289.db2.gz QYUGGKURCAQNCT-ZYHUDNBSSA-N -1 1 288.355 1.797 20 0 CDADMM CO[C@@H]1CCC[C@@H]1CNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001591362273 1173631292 /nfs/dbraw/zinc/63/12/92/1173631292.db2.gz QYUGGKURCAQNCT-ZYHUDNBSSA-N -1 1 288.355 1.797 20 0 CDADMM COCC1(C)CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001591386697 1173639610 /nfs/dbraw/zinc/63/96/10/1173639610.db2.gz VLXCOKSJFVPLOF-UHFFFAOYSA-N -1 1 288.355 1.515 20 0 CDADMM COCC1(C)CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001591386697 1173639614 /nfs/dbraw/zinc/63/96/14/1173639614.db2.gz VLXCOKSJFVPLOF-UHFFFAOYSA-N -1 1 288.355 1.515 20 0 CDADMM COc1c(-c2nn[n-]n2)ccc(=O)n1CC1=CCCC1 ZINC001591474025 1173657952 /nfs/dbraw/zinc/65/79/52/1173657952.db2.gz UKYMYLQQHYJARE-UHFFFAOYSA-N -1 1 273.296 1.147 20 0 CDADMM CO[C@@]1(C)C[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001591473246 1173659161 /nfs/dbraw/zinc/65/91/61/1173659161.db2.gz FBNQOVULELHDLQ-HQJQHLMTSA-N -1 1 280.719 1.504 20 0 CDADMM CO[C@@]1(C)C[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001591473246 1173659164 /nfs/dbraw/zinc/65/91/64/1173659164.db2.gz FBNQOVULELHDLQ-HQJQHLMTSA-N -1 1 280.719 1.504 20 0 CDADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@H]2CC[C@@H](C)C2)nn1C ZINC001591798678 1173706197 /nfs/dbraw/zinc/70/61/97/1173706197.db2.gz MQGDCBIGFGDJBQ-APPZFPTMSA-N -1 1 289.343 1.283 20 0 CDADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@H]2CC[C@@H](C)C2)nn1C ZINC001591798678 1173706201 /nfs/dbraw/zinc/70/62/01/1173706201.db2.gz MQGDCBIGFGDJBQ-APPZFPTMSA-N -1 1 289.343 1.283 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@]3(CCOC3)C2)c1 ZINC001591889290 1173739716 /nfs/dbraw/zinc/73/97/16/1173739716.db2.gz OWWWBRVWYADRIQ-CQSZACIVSA-N -1 1 286.339 1.187 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@]3(CCOC3)C2)c1 ZINC001591889290 1173739723 /nfs/dbraw/zinc/73/97/23/1173739723.db2.gz OWWWBRVWYADRIQ-CQSZACIVSA-N -1 1 286.339 1.187 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]2C(C)C)n1 ZINC001591886962 1173740236 /nfs/dbraw/zinc/74/02/36/1173740236.db2.gz QXSHISAIOLKNIR-JTQLQIEISA-N -1 1 259.317 1.200 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]2C(C)C)n1 ZINC001591886962 1173740242 /nfs/dbraw/zinc/74/02/42/1173740242.db2.gz QXSHISAIOLKNIR-JTQLQIEISA-N -1 1 259.317 1.200 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCCC(F)(F)F)n1 ZINC001591895368 1173741107 /nfs/dbraw/zinc/74/11/07/1173741107.db2.gz GXUCIWLWVTWNRO-UHFFFAOYSA-N -1 1 273.222 1.329 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCCC(F)(F)F)n1 ZINC001591895368 1173741111 /nfs/dbraw/zinc/74/11/11/1173741111.db2.gz GXUCIWLWVTWNRO-UHFFFAOYSA-N -1 1 273.222 1.329 20 0 CDADMM Cc1cc(N2C[C@H](C)[C@@](C)(CO)C2)cc(-c2nnn[n-]2)n1 ZINC001591999519 1173769839 /nfs/dbraw/zinc/76/98/39/1173769839.db2.gz PFOBOUQQDOIFHH-LKFCYVNXSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(N2C[C@H](C)[C@@](C)(CO)C2)cc(-c2nn[n-]n2)n1 ZINC001591999519 1173769846 /nfs/dbraw/zinc/76/98/46/1173769846.db2.gz PFOBOUQQDOIFHH-LKFCYVNXSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(N[C@H](C)C[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001592032737 1173775498 /nfs/dbraw/zinc/77/54/98/1173775498.db2.gz AFHHQMWHPFMZEA-KOLCDFICSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(N[C@H](C)C[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001592032737 1173775504 /nfs/dbraw/zinc/77/55/04/1173775504.db2.gz AFHHQMWHPFMZEA-KOLCDFICSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(NC[C@@H](O)c2ccccn2)cc(-c2nnn[n-]2)n1 ZINC001592041410 1173781206 /nfs/dbraw/zinc/78/12/06/1173781206.db2.gz IHXWRYUHUPALEK-CYBMUJFWSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1cc(NC[C@@H](O)c2ccccn2)cc(-c2nn[n-]n2)n1 ZINC001592041410 1173781212 /nfs/dbraw/zinc/78/12/12/1173781212.db2.gz IHXWRYUHUPALEK-CYBMUJFWSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N(C)CC1(O)CCCC1 ZINC001592110684 1173801638 /nfs/dbraw/zinc/80/16/38/1173801638.db2.gz SESGBRNKXGJHPS-UHFFFAOYSA-N -1 1 288.355 1.311 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCCc1ccc(O)cc1 ZINC001592112652 1173802778 /nfs/dbraw/zinc/80/27/78/1173802778.db2.gz QGLNOZBAFUKTBN-UHFFFAOYSA-N -1 1 296.334 1.930 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H]1CCC[C@H](O)C1 ZINC001592114681 1173805854 /nfs/dbraw/zinc/80/58/54/1173805854.db2.gz SYCQWCWXUQWWQM-MNOVXSKESA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(N2CC[C@@H](C)[C@H](F)C2)nc1-c1nnn[n-]1 ZINC001592176180 1173822429 /nfs/dbraw/zinc/82/24/29/1173822429.db2.gz XABRMYAPBBJNHR-PSASIEDQSA-N -1 1 276.319 1.754 20 0 CDADMM Cc1ccc(N2CC[C@@H](C)[C@H](F)C2)nc1-c1nn[n-]n1 ZINC001592176180 1173822433 /nfs/dbraw/zinc/82/24/33/1173822433.db2.gz XABRMYAPBBJNHR-PSASIEDQSA-N -1 1 276.319 1.754 20 0 CDADMM Cc1ccc(N2C[C@H](C)S[C@@H](C)C2)nc1-c1nnn[n-]1 ZINC001592175791 1173822903 /nfs/dbraw/zinc/82/29/03/1173822903.db2.gz VFBRDFNZLUKCGI-UWVGGRQHSA-N -1 1 290.396 1.900 20 0 CDADMM Cc1ccc(N2C[C@H](C)S[C@@H](C)C2)nc1-c1nn[n-]n1 ZINC001592175791 1173822910 /nfs/dbraw/zinc/82/29/10/1173822910.db2.gz VFBRDFNZLUKCGI-UWVGGRQHSA-N -1 1 290.396 1.900 20 0 CDADMM Cc1ccc(F)cc1Cn1ccnc1-c1nnn[n-]1 ZINC001592173595 1173823119 /nfs/dbraw/zinc/82/31/19/1173823119.db2.gz VLYIHLMNZYQKAR-UHFFFAOYSA-N -1 1 258.260 1.559 20 0 CDADMM Cc1ccc(F)cc1Cn1ccnc1-c1nn[n-]n1 ZINC001592173595 1173823121 /nfs/dbraw/zinc/82/31/21/1173823121.db2.gz VLYIHLMNZYQKAR-UHFFFAOYSA-N -1 1 258.260 1.559 20 0 CDADMM Cc1cccc(COC(=O)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001592232120 1173836450 /nfs/dbraw/zinc/83/64/50/1173836450.db2.gz SPCMNSOMOYWFOC-UHFFFAOYSA-N -1 1 295.302 1.927 20 0 CDADMM Cc1cccc(COC(=O)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001592232120 1173836453 /nfs/dbraw/zinc/83/64/53/1173836453.db2.gz SPCMNSOMOYWFOC-UHFFFAOYSA-N -1 1 295.302 1.927 20 0 CDADMM Cc1cccc(CNc2n[nH]cc2-c2nnn[n-]2)c1F ZINC001592230649 1173836479 /nfs/dbraw/zinc/83/64/79/1173836479.db2.gz AOSKZHAQDVFKDC-UHFFFAOYSA-N -1 1 273.275 1.649 20 0 CDADMM Cc1cccc(CNc2n[nH]cc2-c2nn[n-]n2)c1F ZINC001592230649 1173836483 /nfs/dbraw/zinc/83/64/83/1173836483.db2.gz AOSKZHAQDVFKDC-UHFFFAOYSA-N -1 1 273.275 1.649 20 0 CDADMM Cc1cccc(CCNc2cccnc2-c2nnn[n-]2)n1 ZINC001592229975 1173836731 /nfs/dbraw/zinc/83/67/31/1173836731.db2.gz VLNFQWYPESYMNR-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1cccc(CCNc2cccnc2-c2nn[n-]n2)n1 ZINC001592229975 1173836734 /nfs/dbraw/zinc/83/67/34/1173836734.db2.gz VLNFQWYPESYMNR-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1cccnc1[C@@H](C)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001592264665 1173837648 /nfs/dbraw/zinc/83/76/48/1173837648.db2.gz UHSHWHQIMRLZSZ-SNVBAGLBSA-N -1 1 281.323 1.560 20 0 CDADMM Cc1cccnc1[C@@H](C)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001592264665 1173837649 /nfs/dbraw/zinc/83/76/49/1173837649.db2.gz UHSHWHQIMRLZSZ-SNVBAGLBSA-N -1 1 281.323 1.560 20 0 CDADMM Cc1cn(C)nc1CSc1cccnc1-c1nnn[n-]1 ZINC001592287343 1173845839 /nfs/dbraw/zinc/84/58/39/1173845839.db2.gz GHSGDSFXSPFLLR-UHFFFAOYSA-N -1 1 287.352 1.596 20 0 CDADMM Cc1cn(C)nc1CSc1cccnc1-c1nn[n-]n1 ZINC001592287343 1173845846 /nfs/dbraw/zinc/84/58/46/1173845846.db2.gz GHSGDSFXSPFLLR-UHFFFAOYSA-N -1 1 287.352 1.596 20 0 CDADMM Cc1nsc(NCc2ccncc2C)c1-c1nn[n-]n1 ZINC001592302207 1173851602 /nfs/dbraw/zinc/85/16/02/1173851602.db2.gz WPMFOICEWVLTLK-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1[nH]nc(NC(=O)CC2=CCCCC2)c1-c1nn[n-]n1 ZINC001592328944 1173856439 /nfs/dbraw/zinc/85/64/39/1173856439.db2.gz ZWBMSGLTVJFMRF-UHFFFAOYSA-N -1 1 287.327 1.727 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N(CC2CC2)CC2CCC2)n1 ZINC001592337490 1173858918 /nfs/dbraw/zinc/85/89/18/1173858918.db2.gz IBFNULJABOAQAR-UHFFFAOYSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N(CC2CC2)CC2CCC2)n1 ZINC001592337490 1173858930 /nfs/dbraw/zinc/85/89/30/1173858930.db2.gz IBFNULJABOAQAR-UHFFFAOYSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1nc(N[C@H](C)CC2CCC2)cc(-c2nnn[n-]2)n1 ZINC001592378036 1173872974 /nfs/dbraw/zinc/87/29/74/1173872974.db2.gz AFXIGCBEGSXUMW-MRVPVSSYSA-N -1 1 273.344 1.956 20 0 CDADMM Cc1nc(NC[C@H]2CCC(F)(F)C2)cc(-c2nnn[n-]2)n1 ZINC001592387244 1173875242 /nfs/dbraw/zinc/87/52/42/1173875242.db2.gz DPKIICIUMJEMNN-QMMMGPOBSA-N -1 1 295.297 1.812 20 0 CDADMM Cc1nc(NC[C@H]2CCC(F)(F)C2)cc(-c2nn[n-]n2)n1 ZINC001592387244 1173875249 /nfs/dbraw/zinc/87/52/49/1173875249.db2.gz DPKIICIUMJEMNN-QMMMGPOBSA-N -1 1 295.297 1.812 20 0 CDADMM Cc1noc([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001592456659 1173894787 /nfs/dbraw/zinc/89/47/87/1173894787.db2.gz HHTRGTCKNBUTRS-RXMQYKEDSA-N -1 1 290.239 1.069 20 0 CDADMM Cc1noc(C)c1CNc1cccnc1-c1nnn[n-]1 ZINC001592459851 1173897822 /nfs/dbraw/zinc/89/78/22/1173897822.db2.gz WXUCRUDARPBVOY-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1noc(C)c1CNc1cccnc1-c1nn[n-]n1 ZINC001592459851 1173897830 /nfs/dbraw/zinc/89/78/30/1173897830.db2.gz WXUCRUDARPBVOY-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC1CCC1 ZINC001592503227 1173908357 /nfs/dbraw/zinc/90/83/57/1173908357.db2.gz SIDSKIIEGLWNGE-UHFFFAOYSA-N -1 1 261.285 1.298 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC1CCC1 ZINC001592503227 1173908362 /nfs/dbraw/zinc/90/83/62/1173908362.db2.gz SIDSKIIEGLWNGE-UHFFFAOYSA-N -1 1 261.285 1.298 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@]1(C)CC1(C)C ZINC001592503440 1173909202 /nfs/dbraw/zinc/90/92/02/1173909202.db2.gz USYCQZAKRQZRJH-AWEZNQCLSA-N -1 1 289.339 1.934 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@]1(C)CC1(C)C ZINC001592503440 1173909207 /nfs/dbraw/zinc/90/92/07/1173909207.db2.gz USYCQZAKRQZRJH-AWEZNQCLSA-N -1 1 289.339 1.934 20 0 CDADMM Cc1ocnc1CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001592514797 1173910345 /nfs/dbraw/zinc/91/03/45/1173910345.db2.gz CQRICJBEULFJQE-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)n1 ZINC001592560431 1173917393 /nfs/dbraw/zinc/91/73/93/1173917393.db2.gz BGZPZKMASXNWJT-VXNVDRBHSA-N -1 1 289.343 1.221 20 0 CDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)n1 ZINC001592560431 1173917404 /nfs/dbraw/zinc/91/74/04/1173917404.db2.gz BGZPZKMASXNWJT-VXNVDRBHSA-N -1 1 289.343 1.221 20 0 CDADMM FC1(F)CC[C@@H](COc2cnc(-c3nn[n-]n3)nc2)C1 ZINC001592628241 1173935965 /nfs/dbraw/zinc/93/59/65/1173935965.db2.gz PWRLLOJUIRVPEN-SSDOTTSWSA-N -1 1 282.254 1.471 20 0 CDADMM FC1(F)CCC[C@@H]1CCn1cnc(-c2nn[n-]n2)n1 ZINC001592628180 1173936218 /nfs/dbraw/zinc/93/62/18/1173936218.db2.gz OETSFFDDQBWHPU-SSDOTTSWSA-N -1 1 269.259 1.284 20 0 CDADMM O=C(N[C@@H]1CC12CCCC2)c1coc(-c2nnn[n-]2)c1 ZINC001592966829 1174005595 /nfs/dbraw/zinc/00/55/95/1174005595.db2.gz JFJVDOKLBAYWET-SNVBAGLBSA-N -1 1 273.296 1.522 20 0 CDADMM O=C(N[C@@H]1CC12CCCC2)c1coc(-c2nn[n-]n2)c1 ZINC001592966829 1174005602 /nfs/dbraw/zinc/00/56/02/1174005602.db2.gz JFJVDOKLBAYWET-SNVBAGLBSA-N -1 1 273.296 1.522 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1Cc2ccccc21 ZINC001593243453 1174037338 /nfs/dbraw/zinc/03/73/38/1174037338.db2.gz MFTCXXYLMKCLMK-LLVKDONJSA-N -1 1 292.302 1.540 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1Cc2ccccc21 ZINC001593243453 1174037344 /nfs/dbraw/zinc/03/73/44/1174037344.db2.gz MFTCXXYLMKCLMK-LLVKDONJSA-N -1 1 292.302 1.540 20 0 CDADMM O=C(Nc1ccc2nccn2c1)c1ccc(-c2nn[n-]n2)o1 ZINC001593238552 1174037768 /nfs/dbraw/zinc/03/77/68/1174037768.db2.gz BNMMXUZMLYPFAN-UHFFFAOYSA-N -1 1 295.262 1.360 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1ccsc1 ZINC001593245289 1174040378 /nfs/dbraw/zinc/04/03/78/1174040378.db2.gz JEHFQIMKVMHJCI-UHFFFAOYSA-N -1 1 272.293 1.576 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001593245289 1174040386 /nfs/dbraw/zinc/04/03/86/1174040386.db2.gz JEHFQIMKVMHJCI-UHFFFAOYSA-N -1 1 272.293 1.576 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1C[C@H]1C1CCCC1 ZINC001593261566 1174044304 /nfs/dbraw/zinc/04/43/04/1174044304.db2.gz WSIXITAIEYPROT-DTWKUNHWSA-N -1 1 287.327 1.355 20 0 CDADMM O=C(OC1CC2(CC2)C1)c1coc(-c2nnn[n-]2)c1 ZINC001593282243 1174050045 /nfs/dbraw/zinc/05/00/45/1174050045.db2.gz SBXWFKOFWLZBFG-UHFFFAOYSA-N -1 1 260.253 1.559 20 0 CDADMM O=C(OC1CC2(CC2)C1)c1coc(-c2nn[n-]n2)c1 ZINC001593282243 1174050053 /nfs/dbraw/zinc/05/00/53/1174050053.db2.gz SBXWFKOFWLZBFG-UHFFFAOYSA-N -1 1 260.253 1.559 20 0 CDADMM O=C(OCC[C@H]1CCCC1=O)c1ccc(-c2nn[n-]n2)o1 ZINC001593286735 1174053861 /nfs/dbraw/zinc/05/38/61/1174053861.db2.gz MHODPPYIWHXBPA-MRVPVSSYSA-N -1 1 290.279 1.376 20 0 CDADMM O=C(OCCCCCO)c1sccc1-c1nn[n-]n1 ZINC001593287415 1174054312 /nfs/dbraw/zinc/05/43/12/1174054312.db2.gz JNCOVBRKRVEOEO-UHFFFAOYSA-N -1 1 282.325 1.248 20 0 CDADMM O=C(OCCOC1CC1)c1sccc1-c1nn[n-]n1 ZINC001593291020 1174054574 /nfs/dbraw/zinc/05/45/74/1174054574.db2.gz YOFYMEQMIAASJG-UHFFFAOYSA-N -1 1 280.309 1.264 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1cccnc1 ZINC001593302165 1174060536 /nfs/dbraw/zinc/06/05/36/1174060536.db2.gz VWBWFROYZUBAPF-UHFFFAOYSA-N -1 1 282.263 1.014 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1cccnc1 ZINC001593302165 1174060543 /nfs/dbraw/zinc/06/05/43/1174060543.db2.gz VWBWFROYZUBAPF-UHFFFAOYSA-N -1 1 282.263 1.014 20 0 CDADMM O=C(Oc1ccc(F)nc1-c1nn[n-]n1)OC1CCC1 ZINC001593308326 1174062274 /nfs/dbraw/zinc/06/22/74/1174062274.db2.gz XTHXQKFZWGYDLO-UHFFFAOYSA-N -1 1 279.231 1.469 20 0 CDADMM O=S(=O)(NCC1CCC1)c1ccc(-c2nnn[n-]2)s1 ZINC001593438345 1174077012 /nfs/dbraw/zinc/07/70/12/1174077012.db2.gz KQFDTZRUOKASDV-UHFFFAOYSA-N -1 1 299.381 1.007 20 0 CDADMM O=c1[nH]c(CCNc2cccc(-c3nnn[n-]3)n2)cs1 ZINC001593488045 1174085337 /nfs/dbraw/zinc/08/53/37/1174085337.db2.gz FLRMIQYGCHRPLX-UHFFFAOYSA-N -1 1 289.324 1.078 20 0 CDADMM O=c1[nH]c(CCNc2cccc(-c3nn[n-]n3)n2)cs1 ZINC001593488045 1174085341 /nfs/dbraw/zinc/08/53/41/1174085341.db2.gz FLRMIQYGCHRPLX-UHFFFAOYSA-N -1 1 289.324 1.078 20 0 CDADMM OC[C@@H](CC1CCCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001593523348 1174102029 /nfs/dbraw/zinc/10/20/29/1174102029.db2.gz VRCWAYFQYZTPJJ-SNVBAGLBSA-N -1 1 289.343 1.010 20 0 CDADMM OC[C@@H](CC1CCCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001593523348 1174102034 /nfs/dbraw/zinc/10/20/34/1174102034.db2.gz VRCWAYFQYZTPJJ-SNVBAGLBSA-N -1 1 289.343 1.010 20 0 CDADMM OCc1csc(Sc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001593535861 1174106476 /nfs/dbraw/zinc/10/64/76/1174106476.db2.gz GSGAEMWPJLYBFR-UHFFFAOYSA-N -1 1 292.349 1.362 20 0 CDADMM OCc1csc(Sc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001593535861 1174106482 /nfs/dbraw/zinc/10/64/82/1174106482.db2.gz GSGAEMWPJLYBFR-UHFFFAOYSA-N -1 1 292.349 1.362 20 0 CDADMM c1cc(CNc2ccc(C3CC3)nn2)nc(-c2nnn[n-]2)c1 ZINC001593553489 1174126930 /nfs/dbraw/zinc/12/69/30/1174126930.db2.gz FVYYJGLUKJLESS-UHFFFAOYSA-N -1 1 294.322 1.541 20 0 CDADMM c1cc(CNc2ccc(C3CC3)nn2)nc(-c2nn[n-]n2)c1 ZINC001593553489 1174126932 /nfs/dbraw/zinc/12/69/32/1174126932.db2.gz FVYYJGLUKJLESS-UHFFFAOYSA-N -1 1 294.322 1.541 20 0 CDADMM c1c[nH]c([C@H]2CCCN2Cc2cccc(-c3nn[n-]n3)n2)n1 ZINC001593555779 1174131366 /nfs/dbraw/zinc/13/13/66/1174131366.db2.gz SBJKQSPKWJFVNC-GFCCVEGCSA-N -1 1 296.338 1.322 20 0 CDADMM c1cc(CSc2nc3c([nH]2)CCC3)cc(-c2nnn[n-]2)n1 ZINC001593557362 1174131722 /nfs/dbraw/zinc/13/17/22/1174131722.db2.gz RZARYBXKGFADAJ-UHFFFAOYSA-N -1 1 299.363 1.766 20 0 CDADMM c1cc(CSc2nc3c([nH]2)CCC3)cc(-c2nn[n-]n2)n1 ZINC001593557362 1174131725 /nfs/dbraw/zinc/13/17/25/1174131725.db2.gz RZARYBXKGFADAJ-UHFFFAOYSA-N -1 1 299.363 1.766 20 0 CDADMM c1cc([C@@H]2C[C@H]2Nc2ccnc(-c3nn[n-]n3)n2)cs1 ZINC001593560517 1174136025 /nfs/dbraw/zinc/13/60/25/1174136025.db2.gz DRXARHNGVCWBPA-DTWKUNHWSA-N -1 1 285.336 1.108 20 0 CDADMM c1cc(Cn2nnc(-c3ccccc3)c2-c2nn[n-]n2)on1 ZINC001593567780 1174143703 /nfs/dbraw/zinc/14/37/03/1174143703.db2.gz GFGUMNIHXZWFNW-UHFFFAOYSA-N -1 1 294.278 1.162 20 0 CDADMM Cc1cc(-c2nc([C@H](N)C(C)C)no2)oc1C(=O)[O-] ZINC001600060556 1174349268 /nfs/dbraw/zinc/34/92/68/1174349268.db2.gz COQIPYUWCBFHQO-MRVPVSSYSA-N -1 1 265.269 1.992 20 0 CDADMM Cc1cc([C@H](NCc2nnc[nH]2)C(=O)[O-])ccc1F ZINC001600147886 1174380842 /nfs/dbraw/zinc/38/08/42/1174380842.db2.gz FQERSHKRMMHQJK-NSHDSACASA-N -1 1 264.260 1.168 20 0 CDADMM Cc1cc(C)cc(CC(=O)N2CCN(CC(=O)[O-])CC2)c1 ZINC001600172651 1174386853 /nfs/dbraw/zinc/38/68/53/1174386853.db2.gz LLYOLRNPXFOUDY-UHFFFAOYSA-N -1 1 290.363 1.075 20 0 CDADMM Cc1ccc(CN2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)cn1 ZINC001600412477 1174467839 /nfs/dbraw/zinc/46/78/39/1174467839.db2.gz INYRMELRWIKYTJ-GFCCVEGCSA-N -1 1 287.323 1.127 20 0 CDADMM Fc1ccc(CNc2cnc(-c3nnn[n-]3)cn2)cc1F ZINC000095141533 1174497127 /nfs/dbraw/zinc/49/71/27/1174497127.db2.gz FYLKFDQEWYIGIC-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM Fc1ccc(CNc2cnc(-c3nn[n-]n3)cn2)cc1F ZINC000095141533 1174497133 /nfs/dbraw/zinc/49/71/33/1174497133.db2.gz FYLKFDQEWYIGIC-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM C[C@@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@@H]1C ZINC000095253834 1174520011 /nfs/dbraw/zinc/52/00/11/1174520011.db2.gz CQLSHNBOGJXVMP-KXUCPTDWSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@@H]1C ZINC000095253834 1174520016 /nfs/dbraw/zinc/52/00/16/1174520016.db2.gz CQLSHNBOGJXVMP-KXUCPTDWSA-N -1 1 273.344 1.893 20 0 CDADMM Cc1cn(C)nc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001600612976 1174529099 /nfs/dbraw/zinc/52/90/99/1174529099.db2.gz YPIYFUSZCFEEMR-UHFFFAOYSA-N -1 1 299.290 1.555 20 0 CDADMM Cc1nnc(NC(=O)c2ccccc2CCC(=O)[O-])[nH]1 ZINC001600714013 1174578650 /nfs/dbraw/zinc/57/86/50/1174578650.db2.gz MFSWWCIEKLZKIA-UHFFFAOYSA-N -1 1 274.280 1.383 20 0 CDADMM Cc1n[nH]c(NC(=O)c2ccccc2CCC(=O)[O-])n1 ZINC001600714013 1174578654 /nfs/dbraw/zinc/57/86/54/1174578654.db2.gz MFSWWCIEKLZKIA-UHFFFAOYSA-N -1 1 274.280 1.383 20 0 CDADMM Cc1nn(C)cc1CN[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC001600779110 1174607746 /nfs/dbraw/zinc/60/77/46/1174607746.db2.gz XPIPRXAPKWDYBR-HNNXBMFYSA-N -1 1 288.351 1.603 20 0 CDADMM Cc1nc([C@H](C)NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)n[nH]1 ZINC001600792741 1174612086 /nfs/dbraw/zinc/61/20/86/1174612086.db2.gz SRGHXFKSKJCFJP-ZETCQYMHSA-N -1 1 291.311 1.247 20 0 CDADMM Cc1nnc(CN2C[C@@H](C)[C@H](CC(=O)[O-])C2)n1C1CC1 ZINC001600795850 1174615627 /nfs/dbraw/zinc/61/56/27/1174615627.db2.gz KCHOTBJPHMCTCZ-MWLCHTKSSA-N -1 1 278.356 1.464 20 0 CDADMM Cc1oc(CN(C)C[C@H](O)COC(C)C)cc1C(=O)[O-] ZINC001600842435 1174637818 /nfs/dbraw/zinc/63/78/18/1174637818.db2.gz NBJGELULDGKIGH-NSHDSACASA-N -1 1 285.340 1.504 20 0 CDADMM Cn1cc(CN[C@@H](CC(F)F)C(=O)[O-])c(Cl)n1 ZINC001600952867 1174676591 /nfs/dbraw/zinc/67/65/91/1174676591.db2.gz OHBIDJHNRHDBGK-LURJTMIESA-N -1 1 267.663 1.272 20 0 CDADMM NC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC001601157173 1174765664 /nfs/dbraw/zinc/76/56/64/1174765664.db2.gz GJJWFNLRAQMGEN-GHMZBOCLSA-N -1 1 297.742 1.208 20 0 CDADMM O=C([O-])c1cc(NC(=O)CCc2c[nH]nn2)cc2[nH]ccc21 ZINC001601286773 1174824291 /nfs/dbraw/zinc/82/42/91/1174824291.db2.gz OJUQPKZSFXCNNT-UHFFFAOYSA-N -1 1 299.290 1.556 20 0 CDADMM O=C([O-])c1cc(NC(=O)CCc2cnn[nH]2)cc2[nH]ccc21 ZINC001601286773 1174824296 /nfs/dbraw/zinc/82/42/96/1174824296.db2.gz OJUQPKZSFXCNNT-UHFFFAOYSA-N -1 1 299.290 1.556 20 0 CDADMM O=C([O-])[C@@H](C[C@@H]1CCCO1)NCC(=O)Nc1ccccc1 ZINC001601324570 1174833340 /nfs/dbraw/zinc/83/33/40/1174833340.db2.gz BQJHGVWOVNCFTP-QWHCGFSZSA-N -1 1 292.335 1.237 20 0 CDADMM O=C([O-])[C@@]1(O)CCN(Cc2cccc(OC3CC3)c2F)C1 ZINC001601723421 1174969259 /nfs/dbraw/zinc/96/92/59/1174969259.db2.gz LUOJMOBDYKMRRU-OAHLLOKOSA-N -1 1 295.310 1.388 20 0 CDADMM O=C([O-])[C@@H]1c2ccccc2OCCN1C(=O)c1cnc[nH]1 ZINC001601873485 1175043941 /nfs/dbraw/zinc/04/39/41/1175043941.db2.gz MFWZEHGNAHYDKM-LBPRGKRZSA-N -1 1 287.275 1.070 20 0 CDADMM O=C([O-])C[C@H](NC(=O)CCc1cnc[nH]1)c1ccncc1 ZINC001601898655 1175056971 /nfs/dbraw/zinc/05/69/71/1175056971.db2.gz UCNTWQXVKGCLOO-LBPRGKRZSA-N -1 1 288.307 1.070 20 0 CDADMM O=C([O-])Cc1cccc(NC(=O)c2cncc3nc[nH]c32)n1 ZINC001602140422 1175140372 /nfs/dbraw/zinc/14/03/72/1175140372.db2.gz NXXWMZRHNIAEEI-UHFFFAOYSA-N -1 1 297.274 1.232 20 0 CDADMM O=C([O-])Cc1ccccc1CN1CC[C@@](F)(CO)C1 ZINC001602144925 1175141784 /nfs/dbraw/zinc/14/17/84/1175141784.db2.gz YHOWFAFFVCPKEM-AWEZNQCLSA-N -1 1 267.300 1.220 20 0 CDADMM O=C([O-])c1cc(CSCc2nnc[nH]2)cs1 ZINC001602261068 1175176596 /nfs/dbraw/zinc/17/65/96/1175176596.db2.gz LNZSEXPWQIDQQE-UHFFFAOYSA-N -1 1 255.324 1.998 20 0 CDADMM O=C([O-])c1cc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)on1 ZINC001602255210 1175182047 /nfs/dbraw/zinc/18/20/47/1175182047.db2.gz HDADXIKCQUAQKB-GXTWGEPZSA-N -1 1 294.351 1.746 20 0 CDADMM O=C([O-])c1ccc(C(=O)Nc2ccc3nc[nH]c3c2)[nH]1 ZINC001602325506 1175205346 /nfs/dbraw/zinc/20/53/46/1175205346.db2.gz SKRKPDLNZGTNJY-UHFFFAOYSA-N -1 1 270.248 1.842 20 0 CDADMM O=C([O-])c1cccc2c1CN(CCN1CCCC1=O)CC2 ZINC001602460196 1175248212 /nfs/dbraw/zinc/24/82/12/1175248212.db2.gz PIAHVEYYHWDWGW-UHFFFAOYSA-N -1 1 288.347 1.365 20 0 CDADMM O=C([O-])c1cnc(CN[C@@H]2CCN(CC(F)F)C2)s1 ZINC001602521165 1175267690 /nfs/dbraw/zinc/26/76/90/1175267690.db2.gz NDYUTJNMTCKKIG-SSDOTTSWSA-N -1 1 291.323 1.270 20 0 CDADMM O=C([O-])c1cncc(CSCc2nnc[nH]2)c1 ZINC001602539985 1175281671 /nfs/dbraw/zinc/28/16/71/1175281671.db2.gz UQTXJRQULPNDHN-UHFFFAOYSA-N -1 1 250.283 1.331 20 0 CDADMM O=C([O-])c1coc(CNC[C@@H](O)c2ccco2)c1 ZINC001602555403 1175295976 /nfs/dbraw/zinc/29/59/76/1175295976.db2.gz PIVSCJLJBDSEAU-SNVBAGLBSA-N -1 1 251.238 1.394 20 0 CDADMM O=C([O-])c1sc(NCc2nnc[nH]2)nc1Cl ZINC001602591578 1175314251 /nfs/dbraw/zinc/31/42/51/1175314251.db2.gz KLVFUTZPCMYAJY-UHFFFAOYSA-N -1 1 259.678 1.225 20 0 CDADMM CC(=O)N(C)C1CCN(Cc2cccc(C(=O)[O-])n2)CC1 ZINC001603005297 1175476878 /nfs/dbraw/zinc/47/68/78/1175476878.db2.gz OGTYZMBXLSHSTJ-UHFFFAOYSA-N -1 1 291.351 1.223 20 0 CDADMM CC(C)(C)CC(=O)COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603069024 1175484961 /nfs/dbraw/zinc/48/49/61/1175484961.db2.gz HBDCECZECQLELI-UHFFFAOYSA-N -1 1 292.295 1.622 20 0 CDADMM CC(C)C[C@@H]1COCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001603271096 1175530497 /nfs/dbraw/zinc/53/04/97/1175530497.db2.gz VXXFZQBATFXRAT-GFCCVEGCSA-N -1 1 288.355 1.513 20 0 CDADMM CC(C)C[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001603271096 1175530500 /nfs/dbraw/zinc/53/05/00/1175530500.db2.gz VXXFZQBATFXRAT-GFCCVEGCSA-N -1 1 288.355 1.513 20 0 CDADMM CC(C)N(C(=O)c1ccc(-c2nnn[n-]2)s1)C1COC1 ZINC001603316301 1175538789 /nfs/dbraw/zinc/53/87/89/1175538789.db2.gz WUYDCLGIJHGURC-UHFFFAOYSA-N -1 1 293.352 1.178 20 0 CDADMM CC(C)N(C(=O)c1ccc(-c2nn[n-]n2)s1)C1COC1 ZINC001603316301 1175538792 /nfs/dbraw/zinc/53/87/92/1175538792.db2.gz WUYDCLGIJHGURC-UHFFFAOYSA-N -1 1 293.352 1.178 20 0 CDADMM C[C@@H](CC1CCC1)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001603462800 1175555489 /nfs/dbraw/zinc/55/54/89/1175555489.db2.gz AEIAPOLRHXWMMO-VIFPVBQESA-N -1 1 286.339 1.570 20 0 CDADMM C[C@@H](CC1CCC1)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001603462800 1175555494 /nfs/dbraw/zinc/55/54/94/1175555494.db2.gz AEIAPOLRHXWMMO-VIFPVBQESA-N -1 1 286.339 1.570 20 0 CDADMM C[C@@H](CNc1cccnc1-c1nnn[n-]1)CC(F)F ZINC001603558080 1175566805 /nfs/dbraw/zinc/56/68/05/1175566805.db2.gz CRLVZDYLHSRNEW-SSDOTTSWSA-N -1 1 268.271 1.965 20 0 CDADMM C[C@@H](CNc1cccnc1-c1nn[n-]n1)CC(F)F ZINC001603558080 1175566810 /nfs/dbraw/zinc/56/68/10/1175566810.db2.gz CRLVZDYLHSRNEW-SSDOTTSWSA-N -1 1 268.271 1.965 20 0 CDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)CC(F)(F)F ZINC001603558103 1175566856 /nfs/dbraw/zinc/56/68/56/1175566856.db2.gz DJAPHXRYKWHOIJ-ZCFIWIBFSA-N -1 1 287.249 1.079 20 0 CDADMM C[C@H](N(C)C(=O)c1ccnc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001603598259 1175573985 /nfs/dbraw/zinc/57/39/85/1175573985.db2.gz HHUSTAJQXQNZPJ-VIFPVBQESA-N -1 1 288.355 1.768 20 0 CDADMM C[C@H](N(C)C(=O)c1ccnc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001603598259 1175573995 /nfs/dbraw/zinc/57/39/95/1175573995.db2.gz HHUSTAJQXQNZPJ-VIFPVBQESA-N -1 1 288.355 1.768 20 0 CDADMM CC(F)(F)CCOC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001603595022 1175574089 /nfs/dbraw/zinc/57/40/89/1175574089.db2.gz BNZLYBMNKPLFRM-UHFFFAOYSA-N -1 1 283.238 1.464 20 0 CDADMM CC(F)(F)CCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001603595022 1175574098 /nfs/dbraw/zinc/57/40/98/1175574098.db2.gz BNZLYBMNKPLFRM-UHFFFAOYSA-N -1 1 283.238 1.464 20 0 CDADMM C[C@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)c1cn[nH]c1 ZINC001603688122 1175598525 /nfs/dbraw/zinc/59/85/25/1175598525.db2.gz XEOHFXKWUZFFNP-BYPYZUCNSA-N -1 1 296.747 1.873 20 0 CDADMM C[C@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1cn[nH]c1 ZINC001603688122 1175598535 /nfs/dbraw/zinc/59/85/35/1175598535.db2.gz XEOHFXKWUZFFNP-BYPYZUCNSA-N -1 1 296.747 1.873 20 0 CDADMM C[C@@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)c1cccnc1 ZINC001603704836 1175604673 /nfs/dbraw/zinc/60/46/73/1175604673.db2.gz KZSASXSFFOPXRR-SECBINFHSA-N -1 1 296.290 1.575 20 0 CDADMM C[C@@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)c1cccnc1 ZINC001603704836 1175604677 /nfs/dbraw/zinc/60/46/77/1175604677.db2.gz KZSASXSFFOPXRR-SECBINFHSA-N -1 1 296.290 1.575 20 0 CDADMM CC1(C)CC(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001603759799 1175619672 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/nfs/dbraw/zinc/74/99/51/287749951.db2.gz JMHSGKBIMIRFDV-FZMZJTMJSA-N -1 1 278.352 1.738 20 0 CDADMM CC[C@@H](C)C(=O)COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590390283 1173386170 /nfs/dbraw/zinc/38/61/70/1173386170.db2.gz CMHALZPHHGDCRY-MRVPVSSYSA-N -1 1 289.295 1.034 20 0 CDADMM CC[C@@H](C)C(=O)COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590390283 1173386175 /nfs/dbraw/zinc/38/61/75/1173386175.db2.gz CMHALZPHHGDCRY-MRVPVSSYSA-N -1 1 289.295 1.034 20 0 CDADMM CC[C@@H](C)[C@@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590400338 1173389983 /nfs/dbraw/zinc/38/99/83/1173389983.db2.gz QBHNUUXJGMYPIK-RKDXNWHRSA-N -1 1 289.343 1.818 20 0 CDADMM CC[C@@H](C)[C@@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590400338 1173389985 /nfs/dbraw/zinc/38/99/85/1173389985.db2.gz QBHNUUXJGMYPIK-RKDXNWHRSA-N -1 1 289.343 1.818 20 0 CDADMM CC[C@@H](C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)OC ZINC001590399297 1173390362 /nfs/dbraw/zinc/39/03/62/1173390362.db2.gz IAOYERUBZVNGID-SCZZXKLOSA-N -1 1 277.332 1.130 20 0 CDADMM CC[C@@H](C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)OC ZINC001590399297 1173390370 /nfs/dbraw/zinc/39/03/70/1173390370.db2.gz IAOYERUBZVNGID-SCZZXKLOSA-N -1 1 277.332 1.130 20 0 CDADMM CC1(C)[C@H](O)C[C@@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000336626474 278449520 /nfs/dbraw/zinc/44/95/20/278449520.db2.gz NPWQWPOTTFFPQR-DTWKUNHWSA-N -1 1 271.263 1.560 20 0 CDADMM CCC(CC)CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590434593 1173409688 /nfs/dbraw/zinc/40/96/88/1173409688.db2.gz ZZIKGSBIHKJQNZ-UHFFFAOYSA-N -1 1 274.328 1.428 20 0 CDADMM CCC(CC)CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590434593 1173409685 /nfs/dbraw/zinc/40/96/85/1173409685.db2.gz ZZIKGSBIHKJQNZ-UHFFFAOYSA-N -1 1 274.328 1.428 20 0 CDADMM COC(=O)[C@@H]([N-]S(=O)(=O)CCCF)c1ccsc1 ZINC000184256506 279914776 /nfs/dbraw/zinc/91/47/76/279914776.db2.gz OWLJQIDWPPNQMY-VIFPVBQESA-N -1 1 295.357 1.241 20 0 CDADMM CCCc1n[n-]c(=NC(=O)N2CCNC[C@@H]2C(C)C)s1 ZINC000528668972 281271254 /nfs/dbraw/zinc/27/12/54/281271254.db2.gz RGMPROXNFPHAGX-SNVBAGLBSA-N -1 1 297.428 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CO[C@@H]1CC[C@@H]1N(C)c1ccc(C)nc1-c1nn[n-]n1 ZINC001591353334 1173624145 /nfs/dbraw/zinc/62/41/45/1173624145.db2.gz JOAJRJPZGDDEES-GXSJLCMTSA-N -1 1 274.328 1.184 20 0 CDADMM COC[C@H](CNc1cc(-c2nnn[n-]2)nc(C)n1)C(C)C ZINC001591378098 1173635675 /nfs/dbraw/zinc/63/56/75/1173635675.db2.gz QTQRKCZVQSADHH-JTQLQIEISA-N -1 1 291.359 1.296 20 0 CDADMM COC[C@H](CNc1cc(-c2nn[n-]n2)nc(C)n1)C(C)C ZINC001591378098 1173635682 /nfs/dbraw/zinc/63/56/82/1173635682.db2.gz QTQRKCZVQSADHH-JTQLQIEISA-N -1 1 291.359 1.296 20 0 CDADMM C[C@@H](C(=O)[O-])N(C)c1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000563522241 316323540 /nfs/dbraw/zinc/32/35/40/316323540.db2.gz GSXBRURSTDYKLY-BYPYZUCNSA-N -1 1 289.217 1.281 20 0 CDADMM c1ccc(-c2nc(=NCc3n[nH]c(C4CC4)n3)[n-]o2)cc1 ZINC000563783030 316368869 /nfs/dbraw/zinc/36/88/69/316368869.db2.gz TYCKVFMURHWVQO-UHFFFAOYSA-N -1 1 282.307 1.766 20 0 CDADMM CC(C)(C)n1nnnc1CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000576115247 317078671 /nfs/dbraw/zinc/07/86/71/317078671.db2.gz 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/nfs/dbraw/zinc/59/04/77/575590477.db2.gz CFHOKBQZXHVZPP-LBPRGKRZSA-N -1 1 292.379 1.876 20 0 CDADMM C[C@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736275934 575610796 /nfs/dbraw/zinc/61/07/96/575610796.db2.gz LKSQDXDIWQOQAW-VIFPVBQESA-N -1 1 281.323 1.656 20 0 CDADMM C[C@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736275934 575610797 /nfs/dbraw/zinc/61/07/97/575610797.db2.gz LKSQDXDIWQOQAW-VIFPVBQESA-N -1 1 281.323 1.656 20 0 CDADMM CC[C@H](C)[C@@H](O)CNc1cccc(-c2nnn[n-]2)n1 ZINC000736326012 575623978 /nfs/dbraw/zinc/62/39/78/575623978.db2.gz AYSWAUXRLYFBRJ-WPRPVWTQSA-N -1 1 262.317 1.081 20 0 CDADMM CC[C@H](C)[C@@H](O)CNc1cccc(-c2nn[n-]n2)n1 ZINC000736326012 575623980 /nfs/dbraw/zinc/62/39/80/575623980.db2.gz AYSWAUXRLYFBRJ-WPRPVWTQSA-N -1 1 262.317 1.081 20 0 CDADMM CCCCN(C)[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736453062 575665377 /nfs/dbraw/zinc/66/53/77/575665377.db2.gz LKDZREHGHBQATE-GFCCVEGCSA-N -1 1 288.355 1.125 20 0 CDADMM CC1(C)[C@@H]2CN(CC(=O)Nc3ccc(C(=O)[O-])cc3)C[C@@H]21 ZINC000736726965 575729259 /nfs/dbraw/zinc/72/92/59/575729259.db2.gz USLUACGGUCMVHL-BETUJISGSA-N -1 1 288.347 1.911 20 0 CDADMM C[C@H]1CN2CCCC[C@H]2CN1C(=O)CCCN(C)C(=O)[O-] ZINC000736828404 575760481 /nfs/dbraw/zinc/76/04/81/575760481.db2.gz XXVYUEQSERFPDU-STQMWFEESA-N -1 1 297.399 1.462 20 0 CDADMM CO[C@H](CNc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC000736963246 575777259 /nfs/dbraw/zinc/77/72/59/575777259.db2.gz RMKHZJRKRQUHPX-LLVKDONJSA-N -1 1 297.322 1.456 20 0 CDADMM CO[C@H](CNc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC000736963246 575777260 /nfs/dbraw/zinc/77/72/60/575777260.db2.gz RMKHZJRKRQUHPX-LLVKDONJSA-N -1 1 297.322 1.456 20 0 CDADMM CCCC[C@@H](C(=O)OC)N1CCC[C@H](C(=O)[O-])C1 ZINC000736980471 575782937 /nfs/dbraw/zinc/78/29/37/575782937.db2.gz UYDQZWRVMLBCTG-QWRGUYRKSA-N -1 1 257.330 1.515 20 0 CDADMM CCCc1nnc([C@H]2CN(CCCCC(=O)[O-])CCO2)[nH]1 ZINC000737831465 575788478 /nfs/dbraw/zinc/78/84/78/575788478.db2.gz GPRSWVQZYLWWLJ-LLVKDONJSA-N -1 1 296.371 1.385 20 0 CDADMM CCCc1n[nH]c([C@H]2CN(CCCCC(=O)[O-])CCO2)n1 ZINC000737831465 575788482 /nfs/dbraw/zinc/78/84/82/575788482.db2.gz GPRSWVQZYLWWLJ-LLVKDONJSA-N -1 1 296.371 1.385 20 0 CDADMM CCCOC(=O)[C@@H](C)N1CCCC[C@H]1CC(=O)[O-] ZINC000737029763 575799580 /nfs/dbraw/zinc/79/95/80/575799580.db2.gz MPAQYUJCEJYXQJ-MNOVXSKESA-N -1 1 257.330 1.657 20 0 CDADMM COc1ccc(CN(C)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000737090624 575816365 /nfs/dbraw/zinc/81/63/65/575816365.db2.gz KZWIRDVENQMWIK-UHFFFAOYSA-N -1 1 296.334 1.907 20 0 CDADMM COc1ccc(CN(C)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000737090624 575816366 /nfs/dbraw/zinc/81/63/66/575816366.db2.gz KZWIRDVENQMWIK-UHFFFAOYSA-N -1 1 296.334 1.907 20 0 CDADMM COc1ccc(Nc2cnc(-c3nnn[n-]3)cn2)cc1OC ZINC000737107037 575825501 /nfs/dbraw/zinc/82/55/01/575825501.db2.gz ZDRVZMAJSLTMPZ-UHFFFAOYSA-N -1 1 299.294 1.418 20 0 CDADMM COc1ccc(Nc2cnc(-c3nn[n-]n3)cn2)cc1OC ZINC000737107037 575825504 /nfs/dbraw/zinc/82/55/04/575825504.db2.gz ZDRVZMAJSLTMPZ-UHFFFAOYSA-N -1 1 299.294 1.418 20 0 CDADMM CCN(C)C(=O)COC(=O)c1ccc([O-])cc1F ZINC000773574657 575827411 /nfs/dbraw/zinc/82/74/11/575827411.db2.gz SRYCLMNHAOXLCG-UHFFFAOYSA-N -1 1 255.245 1.166 20 0 CDADMM CN(C)[C@H](CNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1cccc(F)c1 ZINC000737360368 575946801 /nfs/dbraw/zinc/94/68/01/575946801.db2.gz ILFVMZICDICDIX-YNEHKIRRSA-N -1 1 294.326 1.265 20 0 CDADMM CSc1ccc(C)c(C(=O)OCc2nc(=O)n(C)[n-]2)c1 ZINC000765439560 576022509 /nfs/dbraw/zinc/02/25/09/576022509.db2.gz SASVAICXOSHUPS-UHFFFAOYSA-N -1 1 293.348 1.496 20 0 CDADMM C/C(=C\C(=O)OCc1nc(=O)n(C)[n-]1)c1ccccc1 ZINC000765457827 576025644 /nfs/dbraw/zinc/02/56/44/576025644.db2.gz GKMAMQNHIGVSRH-CSKARUKUSA-N -1 1 273.292 1.255 20 0 CDADMM Cn1[n-]c(COC(=O)C(C)(C)c2cccc(F)c2)nc1=O ZINC000765479719 576028271 /nfs/dbraw/zinc/02/82/71/576028271.db2.gz MPJVSCXSHYMSQR-UHFFFAOYSA-N -1 1 293.298 1.269 20 0 CDADMM C[C@H](CCC(=O)OCc1nc(=O)n(C)[n-]1)c1ccccc1 ZINC000765500935 576031043 /nfs/dbraw/zinc/03/10/43/576031043.db2.gz DPAHNMSZHMWCRR-LLVKDONJSA-N -1 1 289.335 1.736 20 0 CDADMM [O-][n+]1ccccc1Oc1cccc(F)c1-c1nnn[n-]1 ZINC000738407614 576069662 /nfs/dbraw/zinc/06/96/62/576069662.db2.gz ZLKFSAQOULPUQB-UHFFFAOYSA-N -1 1 273.227 1.432 20 0 CDADMM [O-][n+]1ccccc1Oc1cccc(F)c1-c1nn[n-]n1 ZINC000738407614 576069664 /nfs/dbraw/zinc/06/96/64/576069664.db2.gz ZLKFSAQOULPUQB-UHFFFAOYSA-N -1 1 273.227 1.432 20 0 CDADMM c1cnn(C[C@@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)c1 ZINC000738412045 576070626 /nfs/dbraw/zinc/07/06/26/576070626.db2.gz FFWKUHLTWJJDPD-NSHDSACASA-N -1 1 296.338 1.127 20 0 CDADMM c1cnn(C[C@@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)c1 ZINC000738412045 576070630 /nfs/dbraw/zinc/07/06/30/576070630.db2.gz FFWKUHLTWJJDPD-NSHDSACASA-N -1 1 296.338 1.127 20 0 CDADMM O=C([O-])c1ccccc1NC(=O)CN1CC[C@H](CCO)C1 ZINC000738459677 576077959 /nfs/dbraw/zinc/07/79/59/576077959.db2.gz JLRCJYNIFSXORP-LLVKDONJSA-N -1 1 292.335 1.028 20 0 CDADMM Cc1cccnc1[C@H](NCC(=O)NCCC(=O)[O-])C(C)C ZINC000738785021 576113427 /nfs/dbraw/zinc/11/34/27/576113427.db2.gz FPMMFFNABJYBAW-CQSZACIVSA-N -1 1 293.367 1.268 20 0 CDADMM Cc1nc(CN(C[C@H](C)C(=O)[O-])C2CC2)oc1C ZINC000738855277 576125055 /nfs/dbraw/zinc/12/50/55/576125055.db2.gz PJZAKHDCVNRERV-QMMMGPOBSA-N -1 1 252.314 1.977 20 0 CDADMM Cc1nn(C)c2ncc(C[N@H+]3CCC[C@@H]3C(=O)[O-])cc12 ZINC000738918156 576135254 /nfs/dbraw/zinc/13/52/54/576135254.db2.gz IZQRQBWUINCBAH-GFCCVEGCSA-N -1 1 274.324 1.326 20 0 CDADMM O=C([O-])[C@H]1CC12CCN(CC(=O)NCC1CCC1)CC2 ZINC000739278524 576197920 /nfs/dbraw/zinc/19/79/20/576197920.db2.gz OIPFBMPYOWFGJZ-GFCCVEGCSA-N -1 1 280.368 1.089 20 0 CDADMM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000739552628 576252631 /nfs/dbraw/zinc/25/26/31/576252631.db2.gz JHGTWNAYOHFINT-RITPCOANSA-N -1 1 278.293 1.192 20 0 CDADMM O=C([N-]CC(F)(F)CO)C(F)(F)c1ccc(F)cc1 ZINC000768646339 576301975 /nfs/dbraw/zinc/30/19/75/576301975.db2.gz XFAMHZALBUCTJT-UHFFFAOYSA-N -1 1 283.196 1.661 20 0 CDADMM C[C@@H](CC(N)=O)NC(=O)c1c([O-])cccc1Cl ZINC000743523028 576643798 /nfs/dbraw/zinc/64/37/98/576643798.db2.gz BMHFBAMBOCURQT-LURJTMIESA-N -1 1 256.689 1.039 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCn1cccn1 ZINC000747365618 576866811 /nfs/dbraw/zinc/86/68/11/576866811.db2.gz OABOKUKJOJWILQ-UHFFFAOYSA-N -1 1 289.339 1.241 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCOC[C@@H](C)C1 ZINC000754235239 576886891 /nfs/dbraw/zinc/88/68/91/576886891.db2.gz AIIQLLTZKOTPGL-JTQLQIEISA-N -1 1 293.367 1.723 20 0 CDADMM O=C(NC[C@]1(O)CCSC1)c1c([O-])cccc1Cl ZINC000748422929 576912052 /nfs/dbraw/zinc/91/20/52/576912052.db2.gz ILUINPPZXLKTMT-GFCCVEGCSA-N -1 1 287.768 1.643 20 0 CDADMM CCC1(C(=O)Nc2n[n-]c(C(F)(F)F)n2)COC1 ZINC000755221642 576936456 /nfs/dbraw/zinc/93/64/56/576936456.db2.gz WWWCIFPDVJBNPX-UHFFFAOYSA-N -1 1 264.207 1.189 20 0 CDADMM CC[C@H]([N-]C(=O)C(F)(F)c1nccs1)C(=O)OC ZINC000756843094 577008004 /nfs/dbraw/zinc/00/80/04/577008004.db2.gz ZQDBGCJVSLWCDV-LURJTMIESA-N -1 1 278.280 1.303 20 0 CDADMM CC1(C)CCCC[C@H]1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000758189792 577078919 /nfs/dbraw/zinc/07/89/19/577078919.db2.gz ZVACYQPXNNHATG-LLVKDONJSA-N -1 1 293.367 1.012 20 0 CDADMM O=C([O-])[C@@H]1CSCCN(Cc2cc(C3CC3)no2)C1 ZINC001601855705 1175038619 /nfs/dbraw/zinc/03/86/19/1175038619.db2.gz FTZSDEIDJYVFTK-JTQLQIEISA-N -1 1 282.365 1.802 20 0 CDADMM O=C([O-])C[C@]1(NC(=O)c2cccc(F)c2O)CCCOC1 ZINC001601931298 1175070514 /nfs/dbraw/zinc/07/05/14/1175070514.db2.gz BYNZVAYVMVDELY-CQSZACIVSA-N -1 1 297.282 1.285 20 0 CDADMM C=CCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000095129766 598954004 /nfs/dbraw/zinc/95/40/04/598954004.db2.gz DHNQSMROFMSQLK-UHFFFAOYSA-N -1 1 253.269 1.408 20 0 CDADMM C=CCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000095129766 598954005 /nfs/dbraw/zinc/95/40/05/598954005.db2.gz DHNQSMROFMSQLK-UHFFFAOYSA-N -1 1 253.269 1.408 20 0 CDADMM O=C([O-])Cn1cc(CCN2CCc3sccc3C2)nn1 ZINC001602159684 1175147569 /nfs/dbraw/zinc/14/75/69/1175147569.db2.gz UGNZJNNNHPNMDX-UHFFFAOYSA-N -1 1 292.364 1.025 20 0 CDADMM CC(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000095149169 599053533 /nfs/dbraw/zinc/05/35/33/599053533.db2.gz FJBNUDGYKHIGNZ-UHFFFAOYSA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000095149169 599053537 /nfs/dbraw/zinc/05/35/37/599053537.db2.gz FJBNUDGYKHIGNZ-UHFFFAOYSA-N -1 1 273.344 1.529 20 0 CDADMM O=C([O-])[C@H]1CC[C@H](c2nc([C@H]3CCCN3)no2)CC1 ZINC001602214570 1175170268 /nfs/dbraw/zinc/17/02/68/1175170268.db2.gz UDGSSYCEBBVZHT-OPRDCNLKSA-N -1 1 265.313 1.853 20 0 CDADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC000822254689 607265787 /nfs/dbraw/zinc/26/57/87/607265787.db2.gz OVITYJGUGOUOOA-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC000822254689 607265788 /nfs/dbraw/zinc/26/57/88/607265788.db2.gz OVITYJGUGOUOOA-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM C[C@@H](N[C@@H](C)CC(=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000818004382 597047250 /nfs/dbraw/zinc/04/72/50/597047250.db2.gz OIYBHGAEIOXYRQ-WDEREUQCSA-N -1 1 274.324 1.781 20 0 CDADMM CN(CCC(=O)[O-])CC(=O)NCCC1=CCCCC1 ZINC000037932832 599888090 /nfs/dbraw/zinc/88/80/90/599888090.db2.gz OSICVICIOWVNFZ-UHFFFAOYSA-N -1 1 268.357 1.400 20 0 CDADMM CCN(CC(=O)N1CCC[C@H](CC(=O)[O-])C1)C1CC1 ZINC000820332997 597373214 /nfs/dbraw/zinc/37/32/14/597373214.db2.gz QFQAHYAGHJSIGD-LLVKDONJSA-N -1 1 268.357 1.184 20 0 CDADMM C[C@@](CO)(Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C1CC1 ZINC000820281617 607304585 /nfs/dbraw/zinc/30/45/85/607304585.db2.gz WVJWGPZNWBTQKL-LBPRGKRZSA-N -1 1 294.746 1.488 20 0 CDADMM C[C@@](CO)(Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C1CC1 ZINC000820281617 607304586 /nfs/dbraw/zinc/30/45/86/607304586.db2.gz WVJWGPZNWBTQKL-LBPRGKRZSA-N -1 1 294.746 1.488 20 0 CDADMM COC(=O)c1ccc(CN2CCC(C(=O)[O-])CC2)[nH]1 ZINC000820680610 597713710 /nfs/dbraw/zinc/71/37/10/597713710.db2.gz XUCAQCADDDWJDS-UHFFFAOYSA-N -1 1 266.297 1.098 20 0 CDADMM C[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1nnc[nH]1 ZINC000230434450 598214441 /nfs/dbraw/zinc/21/44/41/598214441.db2.gz AGMYARMBXAXKMP-QMMMGPOBSA-N -1 1 289.295 1.063 20 0 CDADMM C[C@@H]1CCCC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC000095254929 598383759 /nfs/dbraw/zinc/38/37/59/598383759.db2.gz ALIOCGQGCXZFJX-BDAKNGLRSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@@H]1CCCC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC000095254929 598383761 /nfs/dbraw/zinc/38/37/61/598383761.db2.gz ALIOCGQGCXZFJX-BDAKNGLRSA-N -1 1 259.317 1.647 20 0 CDADMM Clc1ccc(CNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC000095146378 598383806 /nfs/dbraw/zinc/38/38/06/598383806.db2.gz ILBSDNGRROQOSC-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM Clc1ccc(CNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC000095146378 598383808 /nfs/dbraw/zinc/38/38/08/598383808.db2.gz ILBSDNGRROQOSC-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM O=C([O-])c1ccoc1CN1CCC2(CC1)OCCCO2 ZINC001602485514 1175256584 /nfs/dbraw/zinc/25/65/84/1175256584.db2.gz KVCMKGAQRLCMSU-UHFFFAOYSA-N -1 1 281.308 1.707 20 0 CDADMM O=C(NCC1(Br)CC1)c1cncc([O-])c1 ZINC000910215021 628906239 /nfs/dbraw/zinc/90/62/39/628906239.db2.gz IUYGWHRFAQUFOE-UHFFFAOYSA-N -1 1 271.114 1.445 20 0 CDADMM OC[C@@H]1CCCN1c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000823714755 599526942 /nfs/dbraw/zinc/52/69/42/599526942.db2.gz PCFAMRBBKUYEBN-JTQLQIEISA-N -1 1 296.334 1.376 20 0 CDADMM OC[C@@H]1CCCN1c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000823714755 599526945 /nfs/dbraw/zinc/52/69/45/599526945.db2.gz PCFAMRBBKUYEBN-JTQLQIEISA-N -1 1 296.334 1.376 20 0 CDADMM Cc1cc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)n[nH]1 ZINC000237462250 599929748 /nfs/dbraw/zinc/92/97/48/599929748.db2.gz NQTWNPJDMIITDN-ZETCQYMHSA-N -1 1 251.286 1.043 20 0 CDADMM CC[C@](C)(NCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)C(=O)[O-] ZINC000251307311 600561035 /nfs/dbraw/zinc/56/10/35/600561035.db2.gz SIUYXYQIALFFEY-YFCNSXCBSA-N -1 1 284.400 1.770 20 0 CDADMM CCN(CC)CC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000829671708 600761984 /nfs/dbraw/zinc/76/19/84/600761984.db2.gz KFYNBENXOJFMAU-GFCCVEGCSA-N -1 1 290.363 1.933 20 0 CDADMM CNC(=O)CC1CCN(Cc2cc(C(=O)[O-])oc2C)CC1 ZINC000830984078 601117488 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O=C([O-])c1sccc1C(=O)N1CC(N2CCCC2)C1 ZINC001602594509 1175313419 /nfs/dbraw/zinc/31/34/19/1175313419.db2.gz FJOYCPHNVLSCTR-UHFFFAOYSA-N -1 1 280.349 1.367 20 0 CDADMM O=C([O-])c1cccc(COC(=O)CCc2nc[nH]n2)c1 ZINC000833104585 601612085 /nfs/dbraw/zinc/61/20/85/601612085.db2.gz OIOMQRQMQRCSIP-UHFFFAOYSA-N -1 1 275.264 1.179 20 0 CDADMM Cc1cc(CC(=O)NC(C)(C)CCC(=O)[O-])[nH]n1 ZINC000237597673 601683068 /nfs/dbraw/zinc/68/30/68/601683068.db2.gz CKLIJBBSKOHQBY-UHFFFAOYSA-N -1 1 253.302 1.020 20 0 CDADMM Cc1cc(CC(=O)OCc2ccc(C(=O)[O-])c(F)c2)n[nH]1 ZINC000832884466 601734173 /nfs/dbraw/zinc/73/41/73/601734173.db2.gz ZUWCZBKJXKJNKL-UHFFFAOYSA-N -1 1 292.266 1.841 20 0 CDADMM CN(Cc1ccsc1C(=O)[O-])[C@H]1CCCCNC1=O ZINC000830865512 601822025 /nfs/dbraw/zinc/82/20/25/601822025.db2.gz SPDIGOHIPLHFFF-JTQLQIEISA-N -1 1 282.365 1.547 20 0 CDADMM COc1ccc(CNC(=O)CN[C@H](C(=O)[O-])C(C)C)cc1 ZINC000818589160 601822660 /nfs/dbraw/zinc/82/26/60/601822660.db2.gz HASLYYOXTNKLAN-AWEZNQCLSA-N -1 1 294.351 1.010 20 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O=C(Cn1ccnc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000826424834 608013072 /nfs/dbraw/zinc/01/30/72/608013072.db2.gz FLUXUJNNDLCGMZ-UHFFFAOYSA-N -1 1 288.698 1.600 20 0 CDADMM O=C(Cn1ccnc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000826424834 608013073 /nfs/dbraw/zinc/01/30/73/608013073.db2.gz FLUXUJNNDLCGMZ-UHFFFAOYSA-N -1 1 288.698 1.600 20 0 CDADMM C[C@H]1OCC[C@H]1Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000825020197 608148177 /nfs/dbraw/zinc/14/81/77/608148177.db2.gz JFVFRXKWOYUIPA-PSASIEDQSA-N -1 1 297.322 1.399 20 0 CDADMM C[C@H]1OCC[C@H]1Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000825020197 608148178 /nfs/dbraw/zinc/14/81/78/608148178.db2.gz JFVFRXKWOYUIPA-PSASIEDQSA-N -1 1 297.322 1.399 20 0 CDADMM COc1ccc(C)cc1Cn1ccnc1-c1nnn[n-]1 ZINC000826190199 608149011 /nfs/dbraw/zinc/14/90/11/608149011.db2.gz SWKYNDOWLVMTQQ-UHFFFAOYSA-N -1 1 270.296 1.429 20 0 CDADMM COc1ccc(C)cc1Cn1ccnc1-c1nn[n-]n1 ZINC000826190199 608149012 /nfs/dbraw/zinc/14/90/12/608149012.db2.gz SWKYNDOWLVMTQQ-UHFFFAOYSA-N -1 1 270.296 1.429 20 0 CDADMM Clc1nsc(N2C[C@@H]3CCC[C@H]32)c1-c1nnn[n-]1 ZINC000826353691 608186362 /nfs/dbraw/zinc/18/63/62/608186362.db2.gz AILHIALFGFHCHL-NTSWFWBYSA-N -1 1 282.760 1.965 20 0 CDADMM Clc1nsc(N2C[C@@H]3CCC[C@H]32)c1-c1nn[n-]n1 ZINC000826353691 608186364 /nfs/dbraw/zinc/18/63/64/608186364.db2.gz AILHIALFGFHCHL-NTSWFWBYSA-N -1 1 282.760 1.965 20 0 CDADMM CN(CCCc1ccccc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825923125 608399019 /nfs/dbraw/zinc/39/90/19/608399019.db2.gz COOWNELGGQDCGU-UHFFFAOYSA-N -1 1 295.350 1.726 20 0 CDADMM CN(CCCc1ccccc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825923125 608399021 /nfs/dbraw/zinc/39/90/21/608399021.db2.gz COOWNELGGQDCGU-UHFFFAOYSA-N -1 1 295.350 1.726 20 0 CDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccc(O)c1 ZINC000824655021 608409960 /nfs/dbraw/zinc/40/99/60/608409960.db2.gz ASYUDQYDWGOFHN-QMMMGPOBSA-N -1 1 283.295 1.535 20 0 CDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccc(O)c1 ZINC000824655021 608409959 /nfs/dbraw/zinc/40/99/59/608409959.db2.gz ASYUDQYDWGOFHN-QMMMGPOBSA-N -1 1 283.295 1.535 20 0 CDADMM Cc1ncc(CCNc2ccc(-c3nnn[n-]3)nn2)s1 ZINC000826329716 608434665 /nfs/dbraw/zinc/43/46/65/608434665.db2.gz OUTNVBYNPNARSP-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM Cc1ncc(CCNc2ccc(-c3nn[n-]n3)nn2)s1 ZINC000826329716 608434667 /nfs/dbraw/zinc/43/46/67/608434667.db2.gz OUTNVBYNPNARSP-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM CCC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC000825261296 608712992 /nfs/dbraw/zinc/71/29/92/608712992.db2.gz WDOLMTMJLDZLAZ-JTQLQIEISA-N -1 1 277.328 1.461 20 0 CDADMM CCC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC000825261296 608712994 /nfs/dbraw/zinc/71/29/94/608712994.db2.gz WDOLMTMJLDZLAZ-JTQLQIEISA-N -1 1 277.328 1.461 20 0 CDADMM CSc1ccc(Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000826230960 608892831 /nfs/dbraw/zinc/89/28/31/608892831.db2.gz QPWSXLVZKPYWLI-UHFFFAOYSA-N -1 1 272.337 1.833 20 0 CDADMM CSc1ccc(Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000826230960 608892834 /nfs/dbraw/zinc/89/28/34/608892834.db2.gz QPWSXLVZKPYWLI-UHFFFAOYSA-N -1 1 272.337 1.833 20 0 CDADMM CC1(C)CC[C@H](C(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000824795773 609435365 /nfs/dbraw/zinc/43/53/65/609435365.db2.gz CYTUVSDDWRXZCZ-ZETCQYMHSA-N -1 1 275.316 1.112 20 0 CDADMM C[C@H]1C[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC000824886171 609596462 /nfs/dbraw/zinc/59/64/62/609596462.db2.gz WIBGJUMTHWMTRC-VHSXEESVSA-N -1 1 289.343 1.274 20 0 CDADMM C[C@H]1C[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC000824886171 609596465 /nfs/dbraw/zinc/59/64/65/609596465.db2.gz WIBGJUMTHWMTRC-VHSXEESVSA-N -1 1 289.343 1.274 20 0 CDADMM C/C=C(\C)C(=O)N1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC000954124380 613136676 /nfs/dbraw/zinc/13/66/76/613136676.db2.gz XRUNFKWEKKHXHV-ONNFQVAWSA-N -1 1 289.335 1.036 20 0 CDADMM O=C(N[C@@H]1COC[C@H]1C1CC1)c1cc(F)ccc1[O-] ZINC000891055863 617357687 /nfs/dbraw/zinc/35/76/87/617357687.db2.gz YBOUYVIXXUHMGO-NWDGAFQWSA-N -1 1 265.284 1.686 20 0 CDADMM COCc1nc(N2C[C@H](C)C[C@@H](C)C2)cc(=O)[n-]1 ZINC000891408492 617385840 /nfs/dbraw/zinc/38/58/40/617385840.db2.gz JVMVGDDYUACWEA-NXEZZACHSA-N 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XTXOYNUTPNMEKV-PWSUYJOCSA-N -1 1 270.373 1.476 20 0 CDADMM CCOc1ccccc1C(F)(F)C(=O)N(C)c1nn[n-]n1 ZINC000892954884 617977453 /nfs/dbraw/zinc/97/74/53/617977453.db2.gz UMHFOCUUNSMSNM-UHFFFAOYSA-N -1 1 297.265 1.353 20 0 CDADMM CN(C(=O)c1ccc(C(C)(C)C)s1)c1nn[n-]n1 ZINC000892954683 617978131 /nfs/dbraw/zinc/97/81/31/617978131.db2.gz PWRVZZQTHKEEHV-UHFFFAOYSA-N -1 1 265.342 1.835 20 0 CDADMM CN(C(=O)CCCc1ccsc1)c1nn[n-]n1 ZINC000892954853 617978977 /nfs/dbraw/zinc/97/89/77/617978977.db2.gz SWFKKLVTTJBWPX-UHFFFAOYSA-N -1 1 251.315 1.247 20 0 CDADMM COCc1nc(N2CCC(OCC3CC3)CC2)cc(=O)[n-]1 ZINC000892741495 617686483 /nfs/dbraw/zinc/68/64/83/617686483.db2.gz CGASBLJZCGWPAG-UHFFFAOYSA-N -1 1 293.367 1.724 20 0 CDADMM CC(C)OC(=O)c1cc(NC(=O)CC(C)(F)F)n[nH]1 ZINC000888119005 620750201 /nfs/dbraw/zinc/75/02/01/620750201.db2.gz PXFNQJNGTCJAIQ-UHFFFAOYSA-N -1 1 275.255 1.959 20 0 CDADMM COCc1nc(NCC2([S@@](C)=O)CCC2)cc(=O)[n-]1 ZINC000893666844 617819336 /nfs/dbraw/zinc/81/93/36/617819336.db2.gz 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/nfs/dbraw/zinc/35/85/46/618358546.db2.gz NTDJVFHORUNYEW-UHFFFAOYSA-N -1 1 255.636 1.954 20 0 CDADMM CCc1ncc(C[N@@H+](CCC(=O)[O-])C(C)C)cn1 ZINC000901979642 618450484 /nfs/dbraw/zinc/45/04/84/618450484.db2.gz XFBUEHDJSSAHRL-UHFFFAOYSA-N -1 1 251.330 1.724 20 0 CDADMM Cc1sc(NC(=O)[C@@H](C(C)C)N(C)C)nc1C(=O)[O-] ZINC000910785249 618482059 /nfs/dbraw/zinc/48/20/59/618482059.db2.gz AALBNPSLEZCPLP-SECBINFHSA-N -1 1 285.369 1.674 20 0 CDADMM CCCN1CCC[C@H]1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000902039437 618508096 /nfs/dbraw/zinc/50/80/96/618508096.db2.gz GEAWVISOBJEXDC-LBPRGKRZSA-N -1 1 277.324 1.593 20 0 CDADMM CC(C)(C)CN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000902074681 618539724 /nfs/dbraw/zinc/53/97/24/618539724.db2.gz WPDLUMZIJWFHCA-NXEZZACHSA-N -1 1 279.340 1.473 20 0 CDADMM CC1CCN(CC(=O)N[C@@H](C(=O)[O-])c2ccccn2)CC1 ZINC000828284379 618616671 /nfs/dbraw/zinc/61/66/71/618616671.db2.gz FDSTZUGZEPBVMZ-CQSZACIVSA-N -1 1 291.351 1.055 20 0 CDADMM COCc1nc(N2C[C@H](C)[C@@H](C)[C@@H]2C)cc(=O)[n-]1 ZINC000894234359 618741653 /nfs/dbraw/zinc/74/16/53/618741653.db2.gz IFTZKPMAIUUEGG-AEJSXWLSSA-N -1 1 251.330 1.809 20 0 CDADMM O=c1nc(NCCN=S2(=O)CCCC2)cc(Cl)[n-]1 ZINC000894420735 618879150 /nfs/dbraw/zinc/87/91/50/618879150.db2.gz WVNXIDSLVRMNTB-UHFFFAOYSA-N -1 1 290.776 1.509 20 0 CDADMM COCc1nc(N[C@@H]2CCC[C@H]([S@](C)=O)C2)cc(=O)[n-]1 ZINC000894500363 618926395 /nfs/dbraw/zinc/92/63/95/618926395.db2.gz OFWUUWLNRPDZPC-ARNPGYACSA-N -1 1 299.396 1.430 20 0 CDADMM O=c1nc(N2CCC[C@H](n3ccnn3)CC2)cc(Cl)[n-]1 ZINC000895106908 619295494 /nfs/dbraw/zinc/29/54/94/619295494.db2.gz JRJYCBRVWRKXGO-VIFPVBQESA-N -1 1 294.746 1.659 20 0 CDADMM CC(C)C[C@H](C)NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000909554166 620286236 /nfs/dbraw/zinc/28/62/36/620286236.db2.gz VEKGUEYHGIWLCT-RYUDHWBXSA-N -1 1 270.373 1.334 20 0 CDADMM COC(=O)c1ccc(C(=O)O[C@H](C)c2ccnn2C)[n-]1 ZINC000797210722 620489448 /nfs/dbraw/zinc/48/94/48/620489448.db2.gz FBBNRLKWNUPHOQ-MRVPVSSYSA-N -1 1 277.280 1.453 20 0 CDADMM O=C(NCc1nc([O-])cc(=O)[nH]1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000898755777 621860961 /nfs/dbraw/zinc/86/09/61/621860961.db2.gz XRVMVXUEIKEVLV-KXUCPTDWSA-N -1 1 275.308 1.106 20 0 CDADMM CCCc1ccc(C(=O)[N-]N2C(=O)[C@H](C)N(C)C2=O)s1 ZINC000899040271 622022530 /nfs/dbraw/zinc/02/25/30/622022530.db2.gz NCYGBAXCVDQGOI-QMMMGPOBSA-N -1 1 295.364 1.628 20 0 CDADMM COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1c(F)ccc([O-])c1F ZINC000899675204 622353163 /nfs/dbraw/zinc/35/31/63/622353163.db2.gz UZNROBNOBNBBLG-RNFRBKRXSA-N -1 1 285.246 1.209 20 0 CDADMM O=C(NCc1ccncc1)c1cnc(C2CC2)[n-]c1=O ZINC000899915925 622539194 /nfs/dbraw/zinc/53/91/94/622539194.db2.gz MBJCQFKOQZLZTP-UHFFFAOYSA-N -1 1 270.292 1.385 20 0 CDADMM C[C@H](Cn1cccn1)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900188218 622785286 /nfs/dbraw/zinc/78/52/86/622785286.db2.gz MEXDDCMVSKHDJX-SECBINFHSA-N -1 1 287.323 1.075 20 0 CDADMM CCOc1ccccc1[C@@H](N)CC(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000900454877 623080910 /nfs/dbraw/zinc/08/09/10/623080910.db2.gz WVKGCXDUHMICQW-JQWIXIFHSA-N -1 1 294.351 1.407 20 0 CDADMM CCC[C@@H](NC(=O)c1cc(C)cnc1Cl)c1nn[n-]n1 ZINC000900984173 623751570 /nfs/dbraw/zinc/75/15/70/623751570.db2.gz MOLZXXZMGJOQTN-SECBINFHSA-N -1 1 294.746 1.828 20 0 CDADMM CCCN(CC(=O)NC)Cc1ccc(C(=O)[O-])cc1 ZINC000042405271 623883574 /nfs/dbraw/zinc/88/35/74/623883574.db2.gz MSDDCGMWKFCNCX-UHFFFAOYSA-N -1 1 264.325 1.343 20 0 CDADMM O=C([O-])C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccccc1 ZINC000901446656 624257350 /nfs/dbraw/zinc/25/73/50/624257350.db2.gz TVDDNZKJINERIT-JHJVBQTASA-N -1 1 299.330 1.845 20 0 CDADMM CCC[C@H](NC(=O)c1[nH]nc2c1C[C@@H](C)CC2)C(=O)[O-] ZINC000901488251 624289053 /nfs/dbraw/zinc/28/90/53/624289053.db2.gz CLTITFYCRFGQQX-KWQFWETISA-N -1 1 279.340 1.518 20 0 CDADMM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000901499370 624302830 /nfs/dbraw/zinc/30/28/30/624302830.db2.gz DRAHPHWZWBVFEO-GIPNMCIBSA-N -1 1 291.351 1.399 20 0 CDADMM C[C@H](C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)N(C)C ZINC000901503997 624306111 /nfs/dbraw/zinc/30/61/11/624306111.db2.gz VLDHNYKBAUGRSN-RHYQMDGZSA-N -1 1 268.357 1.181 20 0 CDADMM CN(CCc1ccccc1)CC(=O)NCC(C)(C)C(=O)[O-] ZINC000901486440 624314546 /nfs/dbraw/zinc/31/45/46/624314546.db2.gz HDHVTBKKEWWYOR-UHFFFAOYSA-N -1 1 292.379 1.388 20 0 CDADMM CO[C@@]1(C(=O)[O-])CCN(Cc2cnc(C(C)C)s2)C1 ZINC000901543203 624316139 /nfs/dbraw/zinc/31/61/39/624316139.db2.gz UVPJIEANQMTLOD-ZDUSSCGKSA-N -1 1 284.381 1.942 20 0 CDADMM COCC(COC)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000901546231 624342350 /nfs/dbraw/zinc/34/23/50/624342350.db2.gz BKHLTSWKZTXJHG-UHFFFAOYSA-N -1 1 280.296 1.873 20 0 CDADMM Cn1nncc1CN[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000901651397 624392784 /nfs/dbraw/zinc/39/27/84/624392784.db2.gz PCAKWFHCDJUGQQ-ZDUSSCGKSA-N -1 1 274.324 1.511 20 0 CDADMM Cc1cc(CN(CCC(=O)[O-])C[C@H]2CCCO2)sn1 ZINC000901677036 624397615 /nfs/dbraw/zinc/39/76/15/624397615.db2.gz HMVSCCHMWADWBJ-LLVKDONJSA-N -1 1 284.381 1.907 20 0 CDADMM COc1cccc(C)c1CN[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000901743739 624433389 /nfs/dbraw/zinc/43/33/89/624433389.db2.gz OFDCNTNIKGRTBO-QWRGUYRKSA-N -1 1 294.351 1.071 20 0 CDADMM CCO[C@H]1C[C@H](NCc2cc(C(=O)[O-])no2)C12CCC2 ZINC000902310169 624661581 /nfs/dbraw/zinc/66/15/81/624661581.db2.gz IYPGXTUWOMGPJL-RYUDHWBXSA-N -1 1 280.324 1.810 20 0 CDADMM O=C([O-])c1cccc(CNC[C@]23OCCC[C@H]2C3(F)F)n1 ZINC000902476522 624824268 /nfs/dbraw/zinc/82/42/68/624824268.db2.gz PLRDOZQKRYYDSO-YPMHNXCESA-N -1 1 298.289 1.684 20 0 CDADMM Cc1cccc(C)c1CN(C)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000903708174 626060722 /nfs/dbraw/zinc/06/07/22/626060722.db2.gz NFGZXEOKNRTBNR-AWEZNQCLSA-N -1 1 290.363 1.421 20 0 CDADMM CCc1cc(=O)[nH]c(C[N@H+]2CC[C@H](C(=O)[O-])C[C@@H]2C)n1 ZINC000903939023 626154175 /nfs/dbraw/zinc/15/41/75/626154175.db2.gz KMPRHMBSUHGXPZ-UWVGGRQHSA-N -1 1 279.340 1.430 20 0 CDADMM CCc1cc(=O)[nH]c(CN2CC[C@H](C(=O)[O-])C[C@@H]2C)n1 ZINC000903939023 626154176 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ZINC001604821981 1163341192 /nfs/dbraw/zinc/34/11/92/1163341192.db2.gz RKYWNUNSHWSDFO-UHFFFAOYSA-N -1 1 273.325 1.355 20 0 CDADMM COC(=O)[C@H]1CCCC[C@H]1Cn1ccnc1-c1nnn[n-]1 ZINC001604926340 1163384387 /nfs/dbraw/zinc/38/43/87/1163384387.db2.gz YFTDXQKPFDFWCX-UWVGGRQHSA-N -1 1 290.327 1.043 20 0 CDADMM COC(=O)[C@H]1CCCC[C@H]1Cn1ccnc1-c1nn[n-]n1 ZINC001604926340 1163384393 /nfs/dbraw/zinc/38/43/93/1163384393.db2.gz YFTDXQKPFDFWCX-UWVGGRQHSA-N -1 1 290.327 1.043 20 0 CDADMM COC(=O)C[C@H](C)SCc1ccnc(-c2nnn[n-]2)c1 ZINC001604932869 1163386666 /nfs/dbraw/zinc/38/66/66/1163386666.db2.gz WFSJTCPGQCRIFD-QMMMGPOBSA-N -1 1 293.352 1.447 20 0 CDADMM COC(=O)C[C@H](C)SCc1ccnc(-c2nn[n-]n2)c1 ZINC001604932869 1163386670 /nfs/dbraw/zinc/38/66/70/1163386670.db2.gz WFSJTCPGQCRIFD-QMMMGPOBSA-N -1 1 293.352 1.447 20 0 CDADMM COC(=O)c1ccc(Oc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001604979308 1163403013 /nfs/dbraw/zinc/40/30/13/1163403013.db2.gz QPHNASBDBOCNQX-UHFFFAOYSA-N -1 1 298.262 1.236 20 0 CDADMM COC(=O)c1ccc(Oc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001604979308 1163403017 /nfs/dbraw/zinc/40/30/17/1163403017.db2.gz QPHNASBDBOCNQX-UHFFFAOYSA-N -1 1 298.262 1.236 20 0 CDADMM COC[C@]1(C)CCN(c2nc(-c3nn[n-]n3)ccc2C)C1 ZINC001605064619 1163438113 /nfs/dbraw/zinc/43/81/13/1163438113.db2.gz DFIINJZSXGOBEE-CQSZACIVSA-N -1 1 288.355 1.433 20 0 CDADMM COc1ccc(Cl)c(Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC001605290128 1163515457 /nfs/dbraw/zinc/51/54/57/1163515457.db2.gz SEOKLGCQKGNQLZ-UHFFFAOYSA-N -1 1 291.702 1.169 20 0 CDADMM CCCOc1cc(CN[C@@H](CF)C(=O)[O-])ccc1OC ZINC001605339420 1163529992 /nfs/dbraw/zinc/52/99/92/1163529992.db2.gz XMTDCUHOZSNCKO-NSHDSACASA-N -1 1 285.315 1.996 20 0 CDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ncccc1F ZINC001605404471 1163550742 /nfs/dbraw/zinc/55/07/42/1163550742.db2.gz CMSDXXKYUIPXCA-SSDOTTSWSA-N -1 1 286.274 1.364 20 0 CDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ncccc1F ZINC001605404471 1163550752 /nfs/dbraw/zinc/55/07/52/1163550752.db2.gz CMSDXXKYUIPXCA-SSDOTTSWSA-N -1 1 286.274 1.364 20 0 CDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)c1ncccc1F ZINC001605405155 1163553190 /nfs/dbraw/zinc/55/31/90/1163553190.db2.gz NCFFWSARPNEMEN-SSDOTTSWSA-N -1 1 286.274 1.364 20 0 CDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)c1ncccc1F ZINC001605405155 1163553198 /nfs/dbraw/zinc/55/31/98/1163553198.db2.gz NCFFWSARPNEMEN-SSDOTTSWSA-N -1 1 286.274 1.364 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@](C)(O)CC2)c1 ZINC001605561445 1163611239 /nfs/dbraw/zinc/61/12/39/1163611239.db2.gz XITCQTKOZQKEAT-AWEZNQCLSA-N -1 1 288.355 1.311 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@](C)(O)CC2)c1 ZINC001605561445 1163611242 /nfs/dbraw/zinc/61/12/42/1163611242.db2.gz XITCQTKOZQKEAT-AWEZNQCLSA-N -1 1 288.355 1.311 20 0 CDADMM CCO/C=C/C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001605618349 1163625363 /nfs/dbraw/zinc/62/53/63/1163625363.db2.gz KDKTVLOVWASDMY-VOTSOKGWSA-N -1 1 275.264 1.750 20 0 CDADMM CCOc1ncccc1CNCc1ccc(C(=O)[O-])n1C ZINC001605721721 1163649397 /nfs/dbraw/zinc/64/93/97/1163649397.db2.gz BEFJZMHYSLKORP-UHFFFAOYSA-N -1 1 289.335 1.807 20 0 CDADMM CCc1[nH]c(CN[C@@H](C)c2n[nH]c(C)n2)cc1C(=O)[O-] ZINC001605775045 1163667129 /nfs/dbraw/zinc/66/71/29/1163667129.db2.gz QKEQIVVEMWUDKP-ZETCQYMHSA-N -1 1 277.328 1.553 20 0 CDADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCO[C@@H](CCF)C1 ZINC001605802680 1163674568 /nfs/dbraw/zinc/67/45/68/1163674568.db2.gz BKJYRCHLEKJTAN-JTQLQIEISA-N -1 1 292.318 1.135 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCO[C@@H](CCF)C1 ZINC001605802680 1163674573 /nfs/dbraw/zinc/67/45/73/1163674573.db2.gz BKJYRCHLEKJTAN-JTQLQIEISA-N -1 1 292.318 1.135 20 0 CDADMM CCc1cnc(CN[C@](C)(COC)CC(=O)[O-])s1 ZINC001605839104 1163674784 /nfs/dbraw/zinc/67/47/84/1163674784.db2.gz AFBHZSCNHDMGTQ-LBPRGKRZSA-N -1 1 272.370 1.675 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@]2(CC2(F)F)C1 ZINC001605802994 1163676560 /nfs/dbraw/zinc/67/65/60/1163676560.db2.gz SPFTXYOBLNQTAC-LBPRGKRZSA-N -1 1 292.293 1.806 20 0 CDADMM Cc1ccc(N2C[C@@H]3COC[C@@]3(C)C2)c(-c2nnn[n-]2)n1 ZINC001605865334 1163696857 /nfs/dbraw/zinc/69/68/57/1163696857.db2.gz VUVJQYZGOBXEOB-QMTHXVAHSA-N -1 1 286.339 1.043 20 0 CDADMM Cc1ccc(N2C[C@@H]3COC[C@@]3(C)C2)c(-c2nn[n-]n2)n1 ZINC001605865334 1163696860 /nfs/dbraw/zinc/69/68/60/1163696860.db2.gz VUVJQYZGOBXEOB-QMTHXVAHSA-N -1 1 286.339 1.043 20 0 CDADMM Cc1ccc(N2CCSC[C@H](C)C2)nc1-c1nnn[n-]1 ZINC001605867530 1163697761 /nfs/dbraw/zinc/69/77/61/1163697761.db2.gz OUBBSOZSKUJGOR-SECBINFHSA-N -1 1 290.396 1.759 20 0 CDADMM Cc1ccc(N2CCSC[C@H](C)C2)nc1-c1nn[n-]n1 ZINC001605867530 1163697764 /nfs/dbraw/zinc/69/77/64/1163697764.db2.gz OUBBSOZSKUJGOR-SECBINFHSA-N -1 1 290.396 1.759 20 0 CDADMM Cc1ccc(NC[C@@H]2CCO[C@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001605874242 1163702215 /nfs/dbraw/zinc/70/22/15/1163702215.db2.gz LBICSMCHKCQANA-GHMZBOCLSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(NC[C@@H]2CCO[C@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001605874242 1163702220 /nfs/dbraw/zinc/70/22/20/1163702220.db2.gz LBICSMCHKCQANA-GHMZBOCLSA-N -1 1 288.355 1.797 20 0 CDADMM CN(C)c1ccc(F)cc1CN1CC(C)(C(=O)[O-])C1 ZINC001606055722 1163757198 /nfs/dbraw/zinc/75/71/98/1163757198.db2.gz OENZNFRCCJSDGZ-UHFFFAOYSA-N -1 1 266.316 1.798 20 0 CDADMM CN(C)c1cccc(CN2CCC[C@@H](O)[C@H]2C(=O)[O-])c1 ZINC001606060000 1163758695 /nfs/dbraw/zinc/75/86/95/1163758695.db2.gz SHGUVVPSTSCSLR-KGLIPLIRSA-N -1 1 278.352 1.163 20 0 CDADMM Cc1nc(N[C@H]2CCCSC2)cc(-c2nnn[n-]2)n1 ZINC001606066275 1163761157 /nfs/dbraw/zinc/76/11/57/1163761157.db2.gz FZZSIVPFLIIORA-QMMMGPOBSA-N -1 1 277.357 1.273 20 0 CDADMM CN(CC(=O)Nc1ccc(F)c(F)c1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606085129 1163768376 /nfs/dbraw/zinc/76/83/76/1163768376.db2.gz JOYXDVAXCXCDSK-WAAGHKOSSA-N -1 1 298.289 1.698 20 0 CDADMM Cc1nsc(N2CCC[C@H](CF)C2)c1-c1nn[n-]n1 ZINC001606145105 1163786565 /nfs/dbraw/zinc/78/65/65/1163786565.db2.gz WBVWVHXIWNFHGL-MRVPVSSYSA-N -1 1 282.348 1.818 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC(C)CC1 ZINC001606165243 1163793219 /nfs/dbraw/zinc/79/32/19/1163793219.db2.gz BEEZUXDOHFIENO-UHFFFAOYSA-N -1 1 275.312 1.640 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC(C)CC1 ZINC001606165243 1163793227 /nfs/dbraw/zinc/79/32/27/1163793227.db2.gz BEEZUXDOHFIENO-UHFFFAOYSA-N -1 1 275.312 1.640 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCc2cccnc21 ZINC001606165248 1163794248 /nfs/dbraw/zinc/79/42/48/1163794248.db2.gz BJRKJQZWMWTERP-UHFFFAOYSA-N -1 1 296.290 1.366 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCc2cccnc21 ZINC001606165248 1163794256 /nfs/dbraw/zinc/79/42/56/1163794256.db2.gz BJRKJQZWMWTERP-UHFFFAOYSA-N -1 1 296.290 1.366 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc([C@H]2CCCO2)no1 ZINC001606165385 1163794445 /nfs/dbraw/zinc/79/44/45/1163794445.db2.gz VOTUNKZMOIKXQM-MRVPVSSYSA-N -1 1 288.267 1.670 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc([C@H]2CCCO2)no1 ZINC001606165385 1163794451 /nfs/dbraw/zinc/79/44/51/1163794451.db2.gz VOTUNKZMOIKXQM-MRVPVSSYSA-N -1 1 288.267 1.670 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(F)nc1 ZINC001606170087 1163797248 /nfs/dbraw/zinc/79/72/48/1163797248.db2.gz YOFYNHSZYYRPHT-UHFFFAOYSA-N -1 1 288.242 1.555 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(F)nc1 ZINC001606170087 1163797252 /nfs/dbraw/zinc/79/72/52/1163797252.db2.gz YOFYNHSZYYRPHT-UHFFFAOYSA-N -1 1 288.242 1.555 20 0 CDADMM Fc1cc(Oc2ccnc(-c3nn[n-]n3)n2)cnc1Cl ZINC001606312869 1163854173 /nfs/dbraw/zinc/85/41/73/1163854173.db2.gz FNFIKEJQRVKLSP-UHFFFAOYSA-N -1 1 293.649 1.637 20 0 CDADMM Fc1cccc(Cl)c1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001606328081 1163862364 /nfs/dbraw/zinc/86/23/64/1163862364.db2.gz DUNLIZKDVUHLJZ-UHFFFAOYSA-N -1 1 293.693 1.994 20 0 CDADMM Fc1cccc(Cl)c1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001606328081 1163862369 /nfs/dbraw/zinc/86/23/69/1163862369.db2.gz DUNLIZKDVUHLJZ-UHFFFAOYSA-N -1 1 293.693 1.994 20 0 CDADMM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1CCc1ccccc1 ZINC001606377734 1163882137 /nfs/dbraw/zinc/88/21/37/1163882137.db2.gz WAOPDIIQRNQSMK-KGLIPLIRSA-N -1 1 291.347 1.567 20 0 CDADMM O=C(NCC1CC(F)(F)C1)c1csc(-c2nn[n-]n2)c1 ZINC001606719255 1163969775 /nfs/dbraw/zinc/96/97/75/1163969775.db2.gz IXCGFGZMJSQDSX-UHFFFAOYSA-N -1 1 299.306 1.703 20 0 CDADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)C1(O)CCCCC1 ZINC001606978601 1164048082 /nfs/dbraw/zinc/04/80/82/1164048082.db2.gz DJXLLRODBHSTGK-UHFFFAOYSA-N -1 1 292.295 1.198 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)C1(O)CCCCC1 ZINC001606978601 1164048090 /nfs/dbraw/zinc/04/80/90/1164048090.db2.gz DJXLLRODBHSTGK-UHFFFAOYSA-N -1 1 292.295 1.198 20 0 CDADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1C[C@@H]2C[C@@H]2C1 ZINC001607021851 1164063418 /nfs/dbraw/zinc/06/34/18/1164063418.db2.gz ABGAYNLKMBRJCQ-OCAPTIKFSA-N -1 1 273.271 1.098 20 0 CDADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1C[C@@H]2C[C@@H]2C1 ZINC001607021851 1164063425 /nfs/dbraw/zinc/06/34/25/1164063425.db2.gz ABGAYNLKMBRJCQ-OCAPTIKFSA-N -1 1 273.271 1.098 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC(F)(F)CC1 ZINC001607030450 1164063700 /nfs/dbraw/zinc/06/37/00/1164063700.db2.gz DQBIOBBRKLMJHO-UHFFFAOYSA-N -1 1 283.238 1.331 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC(F)(F)CC1 ZINC001607030450 1164063705 /nfs/dbraw/zinc/06/37/05/1164063705.db2.gz DQBIOBBRKLMJHO-UHFFFAOYSA-N -1 1 283.238 1.331 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1ccc2c(c1)COC2 ZINC001607089787 1164074033 /nfs/dbraw/zinc/07/40/33/1164074033.db2.gz BLEWGXWXGKLYGK-UHFFFAOYSA-N -1 1 295.302 1.107 20 0 CDADMM O[C@H](CCNc1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001607091615 1164077048 /nfs/dbraw/zinc/07/70/48/1164077048.db2.gz JQHCGDKFNHVMEO-SNVBAGLBSA-N -1 1 289.343 1.010 20 0 CDADMM O[C@H](CCNc1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001607091615 1164077056 /nfs/dbraw/zinc/07/70/56/1164077056.db2.gz JQHCGDKFNHVMEO-SNVBAGLBSA-N -1 1 289.343 1.010 20 0 CDADMM OCc1ccnc(-c2cccc(F)c2-c2nn[n-]n2)c1 ZINC001607108745 1164091535 /nfs/dbraw/zinc/09/15/35/1164091535.db2.gz UNBOMFVKZIXKJN-UHFFFAOYSA-N -1 1 271.255 1.560 20 0 CDADMM c1ccc2c(c1)OC[C@@H]2CNc1ccc(-c2nnn[n-]2)nn1 ZINC001607131924 1164109340 /nfs/dbraw/zinc/10/93/40/1164109340.db2.gz PPEBQHHBKKPXSL-VIFPVBQESA-N -1 1 295.306 1.245 20 0 CDADMM c1ccc2c(c1)OC[C@@H]2CNc1ccc(-c2nn[n-]n2)nn1 ZINC001607131924 1164109344 /nfs/dbraw/zinc/10/93/44/1164109344.db2.gz PPEBQHHBKKPXSL-VIFPVBQESA-N -1 1 295.306 1.245 20 0 CDADMM c1ccc2c(c1)CO[C@@H]2CNc1cc(-c2nnn[n-]2)ncn1 ZINC001607132703 1164112225 /nfs/dbraw/zinc/11/22/25/1164112225.db2.gz RVLXVPTWCIQRRM-GFCCVEGCSA-N -1 1 295.306 1.340 20 0 CDADMM c1ccc2c(c1)CO[C@@H]2CNc1cc(-c2nn[n-]n2)ncn1 ZINC001607132703 1164112227 /nfs/dbraw/zinc/11/22/27/1164112227.db2.gz RVLXVPTWCIQRRM-GFCCVEGCSA-N -1 1 295.306 1.340 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NC[C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC001607139190 1164120610 /nfs/dbraw/zinc/12/06/10/1164120610.db2.gz XMRALLBCZCHWJP-LPEHRKFASA-N -1 1 271.328 1.505 20 0 CDADMM Cc1c(C(=O)N(C)[C@H](C)C(=O)[O-])n[nH]c1C(F)(F)F ZINC001607527170 1164211844 /nfs/dbraw/zinc/21/18/44/1164211844.db2.gz PJGAERXYWKSKKU-RXMQYKEDSA-N -1 1 279.218 1.282 20 0 CDADMM Cc1c(C(=O)NCc2ccoc2C(=O)[O-])ccc2cncn21 ZINC001607509392 1164212050 /nfs/dbraw/zinc/21/20/50/1164212050.db2.gz PDVLBFKREHWBEL-UHFFFAOYSA-N -1 1 299.286 1.864 20 0 CDADMM Cc1cc(C(=O)[O-])oc1C(=O)NC1(c2nnc[nH]2)CCC1 ZINC001607604212 1164237781 /nfs/dbraw/zinc/23/77/81/1164237781.db2.gz VUYHGMOOXFEJIV-UHFFFAOYSA-N -1 1 290.279 1.214 20 0 CDADMM Cn1c(=O)c(CN[C@H](CF)C(=O)[O-])cc2ccccc21 ZINC001608076209 1164401063 /nfs/dbraw/zinc/40/10/63/1164401063.db2.gz MSSIARHINPQADG-LLVKDONJSA-N -1 1 278.283 1.051 20 0 CDADMM O=C([O-])C1CC2(C1)C[N@@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C[C@H]2C(=O)[O-] ZINC001608610534 1164571885 /nfs/dbraw/zinc/57/18/85/1164571885.db2.gz KRCKBGXRMXUMKG-URDLARGFSA-N -1 1 293.363 1.530 20 0 CDADMM O=C([O-])CC1(NCc2nnc(-c3cccc(F)c3)o2)CC1 ZINC001608688387 1164605133 /nfs/dbraw/zinc/60/51/33/1164605133.db2.gz KWQRYBYKRWLYBE-UHFFFAOYSA-N -1 1 291.282 1.973 20 0 CDADMM Cc1ccccc1[C@H](C)C(=O)[N-]OCCN1CCCC1=O ZINC000825565628 1164611128 /nfs/dbraw/zinc/61/11/28/1164611128.db2.gz HZCRFPFJYZKGBI-ZDUSSCGKSA-N -1 1 290.363 1.769 20 0 CDADMM O=C([O-])c1ccc(CN2CC[C@H]3[C@@H](C2)C3(F)F)[nH]1 ZINC001608881805 1164672257 /nfs/dbraw/zinc/67/22/57/1164672257.db2.gz SDYISGDUBJVKAG-DTWKUNHWSA-N -1 1 256.252 1.800 20 0 CDADMM O=C([O-])c1csc(CN2CC[C@@H](CCCO)C2)n1 ZINC001608991976 1164711664 /nfs/dbraw/zinc/71/16/64/1164711664.db2.gz WTRPOOZHYKVMEL-SECBINFHSA-N -1 1 270.354 1.436 20 0 CDADMM CC(=Cc1cncnc1)c1nc(C)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC001609060423 1164754258 /nfs/dbraw/zinc/75/42/58/1164754258.db2.gz LKFKMXXXCDQYIJ-CLTKARDFSA-N -1 1 296.294 1.021 20 0 CDADMM CC(C)(C)OC(=O)CSc1cncc(-c2nnn[n-]2)n1 ZINC001609077573 1164759667 /nfs/dbraw/zinc/75/96/67/1164759667.db2.gz RWZDOVIJLYCTSQ-UHFFFAOYSA-N -1 1 294.340 1.091 20 0 CDADMM CC(C)(C)OC(=O)CSc1cncc(-c2nn[n-]n2)n1 ZINC001609077573 1164759669 /nfs/dbraw/zinc/75/96/69/1164759669.db2.gz RWZDOVIJLYCTSQ-UHFFFAOYSA-N -1 1 294.340 1.091 20 0 CDADMM C[C@@H](CCO)CCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609111409 1164775823 /nfs/dbraw/zinc/77/58/23/1164775823.db2.gz RGNTWDUXPHOTGT-MRVPVSSYSA-N -1 1 295.368 1.067 20 0 CDADMM CC1(C)CCN1C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609146277 1164794139 /nfs/dbraw/zinc/79/41/39/1164794139.db2.gz YQXDWXHJZAMYAM-UHFFFAOYSA-N -1 1 275.287 1.630 20 0 CDADMM CC1(C)CCN1C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609146277 1164794146 /nfs/dbraw/zinc/79/41/46/1164794146.db2.gz YQXDWXHJZAMYAM-UHFFFAOYSA-N -1 1 275.287 1.630 20 0 CDADMM C[C@@H]1C[C@@H](CCNc2cccnc2-c2nnn[n-]2)CCO1 ZINC001609156120 1164802465 /nfs/dbraw/zinc/80/24/65/1164802465.db2.gz CGBSFBRQDYHFCG-MNOVXSKESA-N -1 1 288.355 1.879 20 0 CDADMM C[C@@H]1C[C@@H](CCNc2cccnc2-c2nn[n-]n2)CCO1 ZINC001609156120 1164802471 /nfs/dbraw/zinc/80/24/71/1164802471.db2.gz CGBSFBRQDYHFCG-MNOVXSKESA-N -1 1 288.355 1.879 20 0 CDADMM CCC[C@H](C)N(C)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609204879 1164846194 /nfs/dbraw/zinc/84/61/94/1164846194.db2.gz RFEJHDYJWASFHU-VIFPVBQESA-N -1 1 289.343 1.914 20 0 CDADMM CCC[C@H](C)N(C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609204879 1164846199 /nfs/dbraw/zinc/84/61/99/1164846199.db2.gz RFEJHDYJWASFHU-VIFPVBQESA-N -1 1 289.343 1.914 20 0 CDADMM CCc1onc(C)c1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609256878 1164866510 /nfs/dbraw/zinc/86/65/10/1164866510.db2.gz NYMZVUCJBXXPFP-UHFFFAOYSA-N -1 1 299.294 1.373 20 0 CDADMM CCc1onc(C)c1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609256878 1164866514 /nfs/dbraw/zinc/86/65/14/1164866514.db2.gz NYMZVUCJBXXPFP-UHFFFAOYSA-N -1 1 299.294 1.373 20 0 CDADMM Cc1nsc(NC(=O)c2ccsc2)c1-c1nnn[n-]1 ZINC001609465409 1164963058 /nfs/dbraw/zinc/96/30/58/1164963058.db2.gz KTTVPFZMBTUQEQ-UHFFFAOYSA-N -1 1 292.349 1.945 20 0 CDADMM Cc1nsc(NC(=O)c2ccsc2)c1-c1nn[n-]n1 ZINC001609465409 1164963061 /nfs/dbraw/zinc/96/30/61/1164963061.db2.gz KTTVPFZMBTUQEQ-UHFFFAOYSA-N -1 1 292.349 1.945 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC1CCSCC1 ZINC001609467729 1164963843 /nfs/dbraw/zinc/96/38/43/1164963843.db2.gz RLCUDWIDTSOLNB-UHFFFAOYSA-N -1 1 293.352 1.394 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC1CCSCC1 ZINC001609467729 1164963848 /nfs/dbraw/zinc/96/38/48/1164963848.db2.gz RLCUDWIDTSOLNB-UHFFFAOYSA-N -1 1 293.352 1.394 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCCC1(C)C ZINC001609466967 1164964144 /nfs/dbraw/zinc/96/41/44/1164964144.db2.gz PLRLAGOGTRNQQT-UHFFFAOYSA-N -1 1 275.312 1.783 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCCC1(C)C ZINC001609466967 1164964148 /nfs/dbraw/zinc/96/41/48/1164964148.db2.gz PLRLAGOGTRNQQT-UHFFFAOYSA-N -1 1 275.312 1.783 20 0 CDADMM FC1(F)CC(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001609485947 1164967796 /nfs/dbraw/zinc/96/77/96/1164967796.db2.gz DMWBADSODPPLFC-UHFFFAOYSA-N -1 1 267.243 1.114 20 0 CDADMM FC1(F)CC(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001609485947 1164967802 /nfs/dbraw/zinc/96/78/02/1164967802.db2.gz DMWBADSODPPLFC-UHFFFAOYSA-N -1 1 267.243 1.114 20 0 CDADMM FC1(F)CCC[C@H](Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001609486348 1164969830 /nfs/dbraw/zinc/96/98/30/1164969830.db2.gz LQXNBIDJWQGZRP-VIFPVBQESA-N -1 1 280.282 1.673 20 0 CDADMM FC1(F)CCC[C@H](Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001609486348 1164969834 /nfs/dbraw/zinc/96/98/34/1164969834.db2.gz LQXNBIDJWQGZRP-VIFPVBQESA-N -1 1 280.282 1.673 20 0 CDADMM O=C(NC/C=C/C1CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001609547132 1164986243 /nfs/dbraw/zinc/98/62/43/1164986243.db2.gz QDKWAGAMCUFULQ-NSCUHMNNSA-N -1 1 287.298 1.702 20 0 CDADMM O=C(NC/C=C/C1CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001609547132 1164986246 /nfs/dbraw/zinc/98/62/46/1164986246.db2.gz QDKWAGAMCUFULQ-NSCUHMNNSA-N -1 1 287.298 1.702 20 0 CDADMM O=Cc1ccc(Oc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001609591663 1164998838 /nfs/dbraw/zinc/99/88/38/1164998838.db2.gz QLCHHICYIDTRFR-UHFFFAOYSA-N -1 1 268.236 1.262 20 0 CDADMM O=Cc1ccc(Oc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001609591663 1164998844 /nfs/dbraw/zinc/99/88/44/1164998844.db2.gz QLCHHICYIDTRFR-UHFFFAOYSA-N -1 1 268.236 1.262 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2C[C@@]3(CCCO3)[C@H]2C2CC2)c1 ZINC001609613080 1165006516 /nfs/dbraw/zinc/00/65/16/1165006516.db2.gz IVNSEVHWVRCASR-HIFRSBDPSA-N -1 1 298.350 1.410 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2C[C@@]3(CCCO3)[C@H]2C2CC2)c1 ZINC001609613080 1165006519 /nfs/dbraw/zinc/00/65/19/1165006519.db2.gz IVNSEVHWVRCASR-HIFRSBDPSA-N -1 1 298.350 1.410 20 0 CDADMM c1cnc2cc(Oc3cnc(-c4nnn[n-]4)cn3)ccc2n1 ZINC001609619631 1165015135 /nfs/dbraw/zinc/01/51/35/1165015135.db2.gz XSTRQQVYXVNPIC-UHFFFAOYSA-N -1 1 292.262 1.392 20 0 CDADMM c1cnc2cc(Oc3cnc(-c4nn[n-]n4)cn3)ccc2n1 ZINC001609619631 1165015142 /nfs/dbraw/zinc/01/51/42/1165015142.db2.gz XSTRQQVYXVNPIC-UHFFFAOYSA-N -1 1 292.262 1.392 20 0 CDADMM c1cc([C@@H]2CCCN(c3cccnc3-c3nn[n-]n3)C2)n[nH]1 ZINC001609619724 1165015207 /nfs/dbraw/zinc/01/52/07/1165015207.db2.gz ZPUNNJMLCUVIEM-SNVBAGLBSA-N -1 1 296.338 1.369 20 0 CDADMM c1ncc(N2C[C@@H](C3CC3)[C@H]2C2CC2)nc1-c1nnn[n-]1 ZINC001609621204 1165018113 /nfs/dbraw/zinc/01/81/13/1165018113.db2.gz UXHINZAOHCRRLK-GXFFZTMASA-N -1 1 283.339 1.282 20 0 CDADMM c1ncc(N2C[C@@H](C3CC3)[C@H]2C2CC2)nc1-c1nn[n-]n1 ZINC001609621204 1165018119 /nfs/dbraw/zinc/01/81/19/1165018119.db2.gz UXHINZAOHCRRLK-GXFFZTMASA-N -1 1 283.339 1.282 20 0 CDADMM CC[C@@H](C)[C@@H](NC(=O)CN1CCC[C@@H](CC)C1)C(=O)[O-] ZINC001609952401 1165161480 /nfs/dbraw/zinc/16/14/80/1165161480.db2.gz RLOHAPVIITVWQO-YRGRVCCFSA-N -1 1 284.400 1.724 20 0 CDADMM O=C([O-])[C@@H](NCC(=O)Nc1cccc2cccnc21)C1CC1 ZINC001610665225 1165401530 /nfs/dbraw/zinc/40/15/30/1165401530.db2.gz GDMACBMLJJGIPW-HNNXBMFYSA-N -1 1 299.330 1.626 20 0 CDADMM O=C([O-])[C@H](c1cccnc1)N1CCc2ccc(O)cc2C1 ZINC001610724366 1165416680 /nfs/dbraw/zinc/41/66/80/1165416680.db2.gz DDQWLFBCKJTWQE-HNNXBMFYSA-N -1 1 284.315 1.971 20 0 CDADMM O=C(Cc1ccc2n[nH]cc2c1)Nc1c[n-][nH]c1=O ZINC001611379040 1165491249 /nfs/dbraw/zinc/49/12/49/1165491249.db2.gz DGQNXSGNMQWSSZ-UHFFFAOYSA-N -1 1 257.253 1.173 20 0 CDADMM O=C([N-]C1CCN(Cc2cc[nH]n2)CC1)C(F)(F)F ZINC001137130064 1166161475 /nfs/dbraw/zinc/16/14/75/1166161475.db2.gz QIYSVECMPWRJBE-UHFFFAOYSA-N -1 1 276.262 1.053 20 0 CDADMM O=C(NC[C@@H](O)c1ccco1)c1ccc(F)c([O-])c1 ZINC001631290727 1166265613 /nfs/dbraw/zinc/26/56/13/1166265613.db2.gz LHQXAFDNTMHPRA-LLVKDONJSA-N -1 1 265.240 1.588 20 0 CDADMM O=S(=O)(CC(F)(F)F)[N-]c1c(F)cncc1F ZINC001253102174 1166319440 /nfs/dbraw/zinc/31/94/40/1166319440.db2.gz TVACGQVVFYQTGB-UHFFFAOYSA-N -1 1 276.186 1.086 20 0 CDADMM O=C(NCc1c[nH]cn1)c1ccc2ccc(O)cc2c1[O-] ZINC001634073541 1166469003 /nfs/dbraw/zinc/46/90/03/1166469003.db2.gz FABKTMJJEZQAIJ-UHFFFAOYSA-N -1 1 283.287 1.904 20 0 CDADMM CCCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC000095277428 1166615940 /nfs/dbraw/zinc/61/59/40/1166615940.db2.gz KRRFWOFJTXSJHK-UHFFFAOYSA-N -1 1 259.317 1.426 20 0 CDADMM CCCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC000095277428 1166615947 /nfs/dbraw/zinc/61/59/47/1166615947.db2.gz KRRFWOFJTXSJHK-UHFFFAOYSA-N -1 1 259.317 1.426 20 0 CDADMM CCn1cc(C(=O)Nc2c[n-][nH]c2=O)c(C(C)C)n1 ZINC001641601543 1167122389 /nfs/dbraw/zinc/12/23/89/1167122389.db2.gz TVRISDNTRLOSFJ-UHFFFAOYSA-N -1 1 263.301 1.707 20 0 CDADMM COCc1ccc(C(=O)Nc2c[n-][nH]c2=O)cc1F ZINC001641601310 1167124992 /nfs/dbraw/zinc/12/49/92/1167124992.db2.gz PGIXJJBRZCTODR-UHFFFAOYSA-N -1 1 265.244 1.653 20 0 CDADMM C[C@H](C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)n1cncn1 ZINC001641686785 1167129117 /nfs/dbraw/zinc/12/91/17/1167129117.db2.gz QESGHIDRPDEXMN-SNVBAGLBSA-N -1 1 298.306 1.369 20 0 CDADMM Cc1ccccc1C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001642457065 1167175887 /nfs/dbraw/zinc/17/58/87/1167175887.db2.gz WXIVCWSNUZMHOH-UHFFFAOYSA-N -1 1 259.265 1.126 20 0 CDADMM COc1cc(NC(=O)c2ccc(F)c([O-])c2)[nH]n1 ZINC001645500357 1167408140 /nfs/dbraw/zinc/40/81/40/1167408140.db2.gz ZMRUQMSSJCGDSY-UHFFFAOYSA-N -1 1 251.217 1.515 20 0 CDADMM O=C([O-])c1ccc(F)c(CN2C[C@@H]3C[C@]3(CO)C2)c1 ZINC001608894728 1167935735 /nfs/dbraw/zinc/93/57/35/1167935735.db2.gz DCFZHEBJIQZTHC-SMDDNHRTSA-N -1 1 265.284 1.338 20 0 CDADMM CCCCc1noc([C@H](C)S(=O)(=O)c2n[n-]c(C)n2)n1 ZINC001647076347 1168360925 /nfs/dbraw/zinc/36/09/25/1168360925.db2.gz KMDFBRHJVCOFFX-ZETCQYMHSA-N -1 1 299.356 1.374 20 0 CDADMM O=C([O-])[C@H](O)CNCc1ccc(F)cc1Br ZINC001647417267 1168669597 /nfs/dbraw/zinc/66/95/97/1168669597.db2.gz TTZMRYJSCDFKBW-SECBINFHSA-N -1 1 292.104 1.123 20 0 CDADMM COc1ccc(C2(C(=O)N(C)c3nn[n-]n3)CCC2)cc1 ZINC001647424920 1168678124 /nfs/dbraw/zinc/67/81/24/1168678124.db2.gz FQCRYPLIAWWOKA-UHFFFAOYSA-N -1 1 287.323 1.293 20 0 CDADMM CCc1nocc1C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001647947115 1169083578 /nfs/dbraw/zinc/08/35/78/1169083578.db2.gz FOMQMXPUTFDZSX-LBPRGKRZSA-N -1 1 298.306 1.270 20 0 CDADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccon1 ZINC001649717264 1169303592 /nfs/dbraw/zinc/30/35/92/1169303592.db2.gz KCNCVDJIHQJAAO-UHFFFAOYSA-N -1 1 280.309 1.131 20 0 CDADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC2(C1)CCOC2 ZINC001649821375 1169401124 /nfs/dbraw/zinc/40/11/24/1169401124.db2.gz GZFSPTNOIJCBKX-UHFFFAOYSA-N -1 1 295.364 1.075 20 0 CDADMM COC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001649871192 1169452107 /nfs/dbraw/zinc/45/21/07/1169452107.db2.gz MBSJYJNZZYTPEU-HNNXBMFYSA-N -1 1 294.351 1.865 20 0 CDADMM CCN(c1ccc(C(=O)N(C)c2nn[n-]n2)cc1)C(C)C ZINC001649998007 1169585422 /nfs/dbraw/zinc/58/54/22/1169585422.db2.gz GPTORRWLVDXOAB-UHFFFAOYSA-N -1 1 288.355 1.711 20 0 CDADMM O=C([O-])Cn1cc(CNCC2(c3ccccc3)CC2)nn1 ZINC001650013178 1169605886 /nfs/dbraw/zinc/60/58/86/1169605886.db2.gz JYGVPUXBFIJDSY-UHFFFAOYSA-N -1 1 286.335 1.184 20 0 CDADMM O=C([O-])[C@H](NCc1ccsc1)[C@H](O)Cc1ccccc1 ZINC001650013731 1169606992 /nfs/dbraw/zinc/60/69/92/1169606992.db2.gz FOCJSAJMWYSSQM-ZIAGYGMSSA-N -1 1 291.372 1.895 20 0 CDADMM C[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)C1CCS(=O)CC1 ZINC001573876922 1170817731 /nfs/dbraw/zinc/81/77/31/1170817731.db2.gz ZVOYXLVGGPPUTQ-UHFFFAOYSA-N -1 1 270.354 1.056 20 0 CDADMM CN(Cc1ccc(C(=O)[O-])[nH]1)C1CCS(=O)CC1 ZINC001573876922 1170817742 /nfs/dbraw/zinc/81/77/42/1170817742.db2.gz ZVOYXLVGGPPUTQ-UHFFFAOYSA-N -1 1 270.354 1.056 20 0 CDADMM Cc1nnc([C@H](C)N[C@H]2CCCC[C@H]2C(=O)[O-])o1 ZINC001574200470 1170917267 /nfs/dbraw/zinc/91/72/67/1170917267.db2.gz MGWXCLYAZLXBFC-SFGNSQDASA-N -1 1 253.302 1.672 20 0 CDADMM Cn1c(NC(=O)c2cc(C(F)F)n[nH]2)ncc1C(=O)[O-] ZINC001574209574 1170919990 /nfs/dbraw/zinc/91/99/90/1170919990.db2.gz RIIHTYIHGWBRLY-UHFFFAOYSA-N -1 1 285.210 1.031 20 0 CDADMM COc1cc(Oc2nccnc2-c2nn[n-]n2)ccc1F ZINC001579937650 1172305643 /nfs/dbraw/zinc/30/56/43/1172305643.db2.gz QRVUWRSZYLNJSK-UHFFFAOYSA-N -1 1 288.242 1.597 20 0 CDADMM Clc1ccc(CCn2cc(-c3nn[n-]n3)nn2)cc1 ZINC001581745757 1172619923 /nfs/dbraw/zinc/61/99/23/1172619923.db2.gz AFIYSWVNNFOBOQ-UHFFFAOYSA-N -1 1 275.703 1.354 20 0 CDADMM O=C(Nc1cccc2ocnc21)c1ccc(-c2nn[n-]n2)o1 ZINC001582647659 1172686168 /nfs/dbraw/zinc/68/61/68/1172686168.db2.gz XGFPXHGQOQGLLT-UHFFFAOYSA-N -1 1 296.246 1.853 20 0 CDADMM O=C(c1cncc([O-])c1)N1Cc2ccc(O)cc2C1 ZINC001585034429 1172873037 /nfs/dbraw/zinc/87/30/37/1172873037.db2.gz YZUSFCKIGKZXOT-UHFFFAOYSA-N -1 1 256.261 1.649 20 0 CDADMM COC(=O)c1nc[nH]c1NC(=O)c1cscc1C ZINC001587264639 1172978282 /nfs/dbraw/zinc/97/82/82/1172978282.db2.gz AMKBFSZLQZMTDH-UHFFFAOYSA-N -1 1 265.294 1.819 20 0 CDADMM C1=CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC001588386100 1173055280 /nfs/dbraw/zinc/05/52/80/1173055280.db2.gz LIMWTWBQDVNFON-UHFFFAOYSA-N -1 1 265.280 1.186 20 0 CDADMM C1=CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001588386100 1173055287 /nfs/dbraw/zinc/05/52/87/1173055287.db2.gz LIMWTWBQDVNFON-UHFFFAOYSA-N -1 1 265.280 1.186 20 0 CDADMM COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2N)cn1 ZINC000021062727 1173099527 /nfs/dbraw/zinc/09/95/27/1173099527.db2.gz RAILDQFZYRIPFK-UHFFFAOYSA-N -1 1 297.311 1.612 20 0 CDADMM CC(C(=O)OCc1cccnc1-c1nnn[n-]1)=C1CCC1 ZINC001589029778 1173120270 /nfs/dbraw/zinc/12/02/70/1173120270.db2.gz GUBYEMRKLDENEF-UHFFFAOYSA-N -1 1 285.307 1.805 20 0 CDADMM CC(C(=O)OCc1cccnc1-c1nn[n-]n1)=C1CCC1 ZINC001589029778 1173120277 /nfs/dbraw/zinc/12/02/77/1173120277.db2.gz GUBYEMRKLDENEF-UHFFFAOYSA-N -1 1 285.307 1.805 20 0 CDADMM CC(C)(C)CS(=O)(=O)Oc1cccnc1-c1nn[n-]n1 ZINC001589130552 1173125741 /nfs/dbraw/zinc/12/57/41/1173125741.db2.gz GZVSHWBTSNEBAK-UHFFFAOYSA-N -1 1 297.340 1.016 20 0 CDADMM CC(C)(C)SCCCn1cccc(-c2nn[n-]n2)c1=O ZINC001589209003 1173129458 /nfs/dbraw/zinc/12/94/58/1173129458.db2.gz MQNUKEVGAZSGFP-UHFFFAOYSA-N -1 1 293.396 1.950 20 0 CDADMM CC(C)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001589413021 1173142166 /nfs/dbraw/zinc/14/21/66/1173142166.db2.gz ZUIWPHBZSOBNCB-UHFFFAOYSA-N -1 1 277.332 1.413 20 0 CDADMM CC(C)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001589413021 1173142171 /nfs/dbraw/zinc/14/21/71/1173142171.db2.gz ZUIWPHBZSOBNCB-UHFFFAOYSA-N -1 1 277.332 1.413 20 0 CDADMM CC(C)[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1nncn1C ZINC001589476522 1173147858 /nfs/dbraw/zinc/14/78/58/1173147858.db2.gz QVMCPGXDRDHVTF-NSHDSACASA-N -1 1 299.342 1.199 20 0 CDADMM CC(C)[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1nncn1C ZINC001589476522 1173147861 /nfs/dbraw/zinc/14/78/61/1173147861.db2.gz QVMCPGXDRDHVTF-NSHDSACASA-N -1 1 299.342 1.199 20 0 CDADMM CC(C)[C@H](O)C(C)(C)CNc1cccnc1-c1nnn[n-]1 ZINC001589476747 1173149275 /nfs/dbraw/zinc/14/92/75/1173149275.db2.gz VDIQSEIRMUPJNI-LBPRGKRZSA-N -1 1 290.371 1.717 20 0 CDADMM CC(C)[C@H](O)C(C)(C)CNc1cccnc1-c1nn[n-]n1 ZINC001589476747 1173149279 /nfs/dbraw/zinc/14/92/79/1173149279.db2.gz VDIQSEIRMUPJNI-LBPRGKRZSA-N -1 1 290.371 1.717 20 0 CDADMM CC(C)C1(NC(=O)Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001589495400 1173150126 /nfs/dbraw/zinc/15/01/26/1173150126.db2.gz YFKAVFPLXNMGSJ-UHFFFAOYSA-N -1 1 287.327 1.572 20 0 CDADMM CC(C)C1(NC(=O)Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001589495400 1173150129 /nfs/dbraw/zinc/15/01/29/1173150129.db2.gz YFKAVFPLXNMGSJ-UHFFFAOYSA-N -1 1 287.327 1.572 20 0 CDADMM CC(C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001589507937 1173153570 /nfs/dbraw/zinc/15/35/70/1173153570.db2.gz TZJMZKQGOKRHDB-SNVBAGLBSA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001589507937 1173153575 /nfs/dbraw/zinc/15/35/75/1173153575.db2.gz TZJMZKQGOKRHDB-SNVBAGLBSA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)C[C@H](C)Cn1cncc(-c2nn[n-]n2)c1=O ZINC001589549677 1173157728 /nfs/dbraw/zinc/15/77/28/1173157728.db2.gz DAESTQCPPHCNSQ-VIFPVBQESA-N -1 1 262.317 1.106 20 0 CDADMM CC(C)N(C(=O)c1csc(-c2nn[n-]n2)c1)C1COC1 ZINC001589672845 1173168603 /nfs/dbraw/zinc/16/86/03/1173168603.db2.gz FCATUZCRPBZYSO-UHFFFAOYSA-N -1 1 293.352 1.178 20 0 CDADMM CC(C)[S@@](C)(=O)=NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589760611 1173173899 /nfs/dbraw/zinc/17/38/99/1173173899.db2.gz VARSOMYVGFALON-LJQANCHMSA-N -1 1 283.313 1.106 20 0 CDADMM CC(C)[S@@](C)(=O)=NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589760611 1173173902 /nfs/dbraw/zinc/17/39/02/1173173902.db2.gz VARSOMYVGFALON-LJQANCHMSA-N -1 1 283.313 1.106 20 0 CDADMM CC(C)OCCSCc1nc(-c2nnn[n-]2)cs1 ZINC001589749559 1173174435 /nfs/dbraw/zinc/17/44/35/1173174435.db2.gz GOMPXSATJAHZPD-UHFFFAOYSA-N -1 1 285.398 1.981 20 0 CDADMM CC(C)OCCSCc1nc(-c2nn[n-]n2)cs1 ZINC001589749559 1173174439 /nfs/dbraw/zinc/17/44/39/1173174439.db2.gz GOMPXSATJAHZPD-UHFFFAOYSA-N -1 1 285.398 1.981 20 0 CDADMM CC(C)[C@@H]1C[C@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589763418 1173174953 /nfs/dbraw/zinc/17/49/53/1173174953.db2.gz KFISUUMZCUUZAZ-DTWKUNHWSA-N -1 1 277.353 1.703 20 0 CDADMM CC(C)c1cnn(Cc2ccc(-c3nnn[n-]3)o2)c1 ZINC001589773763 1173175775 /nfs/dbraw/zinc/17/57/75/1173175775.db2.gz PPCCHWVQTWBQCD-UHFFFAOYSA-N -1 1 258.285 1.828 20 0 CDADMM CC(C)c1cnn(Cc2ccc(-c3nn[n-]n3)o2)c1 ZINC001589773763 1173175780 /nfs/dbraw/zinc/17/57/80/1173175780.db2.gz PPCCHWVQTWBQCD-UHFFFAOYSA-N -1 1 258.285 1.828 20 0 CDADMM C[C@@H](C1CC1)n1cc(Nc2ncncc2-c2nn[n-]n2)cn1 ZINC001589788542 1173182207 /nfs/dbraw/zinc/18/22/07/1173182207.db2.gz YAYKEGHVYBXFAS-QMMMGPOBSA-N -1 1 297.326 1.568 20 0 CDADMM C[C@H](CCO)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001589835704 1173190697 /nfs/dbraw/zinc/19/06/97/1173190697.db2.gz ZJZHCDNSESKGKB-RXMQYKEDSA-N -1 1 288.764 1.407 20 0 CDADMM C[C@@H](CNC(=O)c1cccc(-c2nnn[n-]2)n1)CC(F)F ZINC001589865739 1173189898 /nfs/dbraw/zinc/18/98/98/1173189898.db2.gz WVGCNMPGJZFOKC-SSDOTTSWSA-N -1 1 296.281 1.283 20 0 CDADMM C[C@@H](CNC(=O)c1cccc(-c2nn[n-]n2)n1)CC(F)F ZINC001589865739 1173189902 /nfs/dbraw/zinc/18/99/02/1173189902.db2.gz WVGCNMPGJZFOKC-SSDOTTSWSA-N -1 1 296.281 1.283 20 0 CDADMM C[C@H](CCO)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001589835704 1173190701 /nfs/dbraw/zinc/19/07/01/1173190701.db2.gz ZJZHCDNSESKGKB-RXMQYKEDSA-N -1 1 288.764 1.407 20 0 CDADMM C[C@H](CCc1cccn1C)Nc1ncncc1-c1nn[n-]n1 ZINC001589837093 1173190819 /nfs/dbraw/zinc/19/08/19/1173190819.db2.gz UNMMFWAMTALMKK-SNVBAGLBSA-N -1 1 298.354 1.428 20 0 CDADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccnn1C ZINC001589984940 1173222624 /nfs/dbraw/zinc/22/26/24/1173222624.db2.gz YRPBQVNIZSUAPZ-MRVPVSSYSA-N -1 1 270.300 1.168 20 0 CDADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccnn1C ZINC001589984940 1173222631 /nfs/dbraw/zinc/22/26/31/1173222631.db2.gz YRPBQVNIZSUAPZ-MRVPVSSYSA-N -1 1 270.300 1.168 20 0 CDADMM CC1(C)CC[C@H](Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590090893 1173254647 /nfs/dbraw/zinc/25/46/47/1173254647.db2.gz ULQFJVZRBNTISN-JTQLQIEISA-N -1 1 258.329 1.674 20 0 CDADMM CC1(C)CC[C@H](Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590090893 1173254653 /nfs/dbraw/zinc/25/46/53/1173254653.db2.gz ULQFJVZRBNTISN-JTQLQIEISA-N -1 1 258.329 1.674 20 0 CDADMM C[C@]1(CNc2ncncc2-c2nn[n-]n2)CCCC[C@@H]1O ZINC001590135789 1173268730 /nfs/dbraw/zinc/26/87/30/1173268730.db2.gz NCQIYFIVFHVNKJ-GXFFZTMASA-N -1 1 289.343 1.010 20 0 CDADMM CC12CC(C1)CN2C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590153914 1173275767 /nfs/dbraw/zinc/27/57/67/1173275767.db2.gz ZTZIJQTUIRHMRF-UHFFFAOYSA-N -1 1 259.269 1.084 20 0 CDADMM CC12CC(C1)CN2C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590153914 1173275771 /nfs/dbraw/zinc/27/57/71/1173275771.db2.gz ZTZIJQTUIRHMRF-UHFFFAOYSA-N -1 1 259.269 1.084 20 0 CDADMM C[C@H]1CCC[C@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590244984 1173316919 /nfs/dbraw/zinc/31/69/19/1173316919.db2.gz XKFLFNAVLDSGIZ-UWVGGRQHSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@H]1CCC[C@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590244984 1173316923 /nfs/dbraw/zinc/31/69/23/1173316923.db2.gz XKFLFNAVLDSGIZ-UWVGGRQHSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@H]1CCCN(C(=O)c2coc(-c3nnn[n-]3)c2)[C@H]1C ZINC001590259194 1173325466 /nfs/dbraw/zinc/32/54/66/1173325466.db2.gz HHQXARUDOIHPRB-IUCAKERBSA-N -1 1 275.312 1.720 20 0 CDADMM C[C@H]1CCCN(C(=O)c2coc(-c3nn[n-]n3)c2)[C@H]1C ZINC001590259194 1173325474 /nfs/dbraw/zinc/32/54/74/1173325474.db2.gz HHQXARUDOIHPRB-IUCAKERBSA-N -1 1 275.312 1.720 20 0 CDADMM C[C@H]1OCC[C@H]1Sc1ccnc(-c2nnn[n-]2)c1 ZINC001590335489 1173362702 /nfs/dbraw/zinc/36/27/02/1173362702.db2.gz GZKLUSPWIIMEQA-GMSGAONNSA-N -1 1 263.326 1.531 20 0 CDADMM C[C@H]1OCC[C@H]1Sc1ccnc(-c2nn[n-]n2)c1 ZINC001590335489 1173362708 /nfs/dbraw/zinc/36/27/08/1173362708.db2.gz GZKLUSPWIIMEQA-GMSGAONNSA-N -1 1 263.326 1.531 20 0 CDADMM C[C@@H]1[C@H](C)SCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590338154 1173363621 /nfs/dbraw/zinc/36/36/21/1173363621.db2.gz SPIVUTBXYZGRIM-SFYZADRCSA-N -1 1 293.352 1.426 20 0 CDADMM C[C@@H]1[C@H](C)SCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590338154 1173363627 /nfs/dbraw/zinc/36/36/27/1173363627.db2.gz SPIVUTBXYZGRIM-SFYZADRCSA-N -1 1 293.352 1.426 20 0 CDADMM CCC1(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CCC1 ZINC001590488033 1173430401 /nfs/dbraw/zinc/43/04/01/1173430401.db2.gz JCYFYZLTVUCZFB-UHFFFAOYSA-N -1 1 292.368 1.520 20 0 CDADMM CCC1(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CCC1 ZINC001590488033 1173430404 /nfs/dbraw/zinc/43/04/04/1173430404.db2.gz JCYFYZLTVUCZFB-UHFFFAOYSA-N -1 1 292.368 1.520 20 0 CDADMM CCCC(C)(C)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590541363 1173456278 /nfs/dbraw/zinc/45/62/78/1173456278.db2.gz HTFRLYYEOOZNPK-UHFFFAOYSA-N -1 1 263.305 1.355 20 0 CDADMM CCCC(C)(C)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590541363 1173456282 /nfs/dbraw/zinc/45/62/82/1173456282.db2.gz HTFRLYYEOOZNPK-UHFFFAOYSA-N -1 1 263.305 1.355 20 0 CDADMM CCCCC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590573531 1173466362 /nfs/dbraw/zinc/46/63/62/1173466362.db2.gz XIBQOVWDLHZYFH-UHFFFAOYSA-N -1 1 265.342 1.735 20 0 CDADMM CCCCN(CC)Cn1ccc(C)c(-c2nnn[n-]2)c1=O ZINC001590600033 1173472882 /nfs/dbraw/zinc/47/28/82/1173472882.db2.gz CGTQFZQFAQKEFF-UHFFFAOYSA-N -1 1 290.371 1.416 20 0 CDADMM CCN(C[C@H]1CCOC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001590690771 1173492070 /nfs/dbraw/zinc/49/20/70/1173492070.db2.gz FALYCAMCBPKWEM-SNVBAGLBSA-N -1 1 274.328 1.125 20 0 CDADMM CCN(C[C@H]1CCOC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001590690771 1173492073 /nfs/dbraw/zinc/49/20/73/1173492073.db2.gz FALYCAMCBPKWEM-SNVBAGLBSA-N -1 1 274.328 1.125 20 0 CDADMM CCOC(=O)[C@H](C)CNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001590749924 1173504121 /nfs/dbraw/zinc/50/41/21/1173504121.db2.gz DTEGVKIUTSBELF-SECBINFHSA-N -1 1 290.327 1.181 20 0 CDADMM CCOC(=O)[C@H](C)CNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001590749924 1173504126 /nfs/dbraw/zinc/50/41/26/1173504126.db2.gz DTEGVKIUTSBELF-SECBINFHSA-N -1 1 290.327 1.181 20 0 CDADMM CCOC1(C)CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001590784305 1173509738 /nfs/dbraw/zinc/50/97/38/1173509738.db2.gz PRNVNHPXZIAFDU-UHFFFAOYSA-N -1 1 288.355 1.657 20 0 CDADMM CCOC1(C)CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001590784305 1173509742 /nfs/dbraw/zinc/50/97/42/1173509742.db2.gz PRNVNHPXZIAFDU-UHFFFAOYSA-N -1 1 288.355 1.657 20 0 CDADMM CCOC[C@H]1CCN(c2nc(-c3nn[n-]n3)ccc2C)C1 ZINC001590802080 1173515352 /nfs/dbraw/zinc/51/53/52/1173515352.db2.gz YENXAUHOAVHLAZ-NSHDSACASA-N -1 1 288.355 1.433 20 0 CDADMM CCOc1ccc(Oc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001590839312 1173524669 /nfs/dbraw/zinc/52/46/69/1173524669.db2.gz NWHIEXKBXAOBPP-UHFFFAOYSA-N -1 1 284.279 1.848 20 0 CDADMM CCOc1ccc(Oc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001590839312 1173524679 /nfs/dbraw/zinc/52/46/79/1173524679.db2.gz NWHIEXKBXAOBPP-UHFFFAOYSA-N -1 1 284.279 1.848 20 0 CDADMM CC[C@@H]1C[C@H]1NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001590860578 1173530677 /nfs/dbraw/zinc/53/06/77/1173530677.db2.gz RXUMDFQLDYZAEO-LDYMZIIASA-N -1 1 296.334 1.876 20 0 CDADMM CCc1nocc1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590935988 1173545856 /nfs/dbraw/zinc/54/58/56/1173545856.db2.gz SQAFIFSKRYAHRL-UHFFFAOYSA-N -1 1 285.267 1.064 20 0 CDADMM CCc1nocc1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590935988 1173545860 /nfs/dbraw/zinc/54/58/60/1173545860.db2.gz SQAFIFSKRYAHRL-UHFFFAOYSA-N -1 1 285.267 1.064 20 0 CDADMM CCn1ccnc1[C@@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590961316 1173549761 /nfs/dbraw/zinc/54/97/61/1173549761.db2.gz VHWJWBDJRMMMTR-SECBINFHSA-N -1 1 284.327 1.651 20 0 CDADMM CCn1ccnc1[C@@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590961316 1173549765 /nfs/dbraw/zinc/54/97/65/1173549765.db2.gz VHWJWBDJRMMMTR-SECBINFHSA-N -1 1 284.327 1.651 20 0 CDADMM CCn1cc(NC(=O)c2csc(-c3nn[n-]n3)c2)cn1 ZINC001590955159 1173550103 /nfs/dbraw/zinc/55/01/03/1173550103.db2.gz QWYFIWFNPYTCDT-UHFFFAOYSA-N -1 1 289.324 1.397 20 0 CDADMM CCn1cc(OC(=O)c2ccsc2-c2nnn[n-]2)cn1 ZINC001590954929 1173550930 /nfs/dbraw/zinc/55/09/30/1173550930.db2.gz IBUARKGBKZGQCY-UHFFFAOYSA-N -1 1 290.308 1.364 20 0 CDADMM CCn1cc(OC(=O)c2ccsc2-c2nn[n-]n2)cn1 ZINC001590954929 1173550936 /nfs/dbraw/zinc/55/09/36/1173550936.db2.gz IBUARKGBKZGQCY-UHFFFAOYSA-N -1 1 290.308 1.364 20 0 CDADMM CCn1cc(CNc2cc(C)nc(-c3nnn[n-]3)c2)cn1 ZINC001590953587 1173551261 /nfs/dbraw/zinc/55/12/61/1173551261.db2.gz LTVMZPBNOIXMQC-UHFFFAOYSA-N -1 1 284.327 1.399 20 0 CDADMM CCn1cc(CNc2cc(C)nc(-c3nn[n-]n3)c2)cn1 ZINC001590953587 1173551263 /nfs/dbraw/zinc/55/12/63/1173551263.db2.gz LTVMZPBNOIXMQC-UHFFFAOYSA-N -1 1 284.327 1.399 20 0 CDADMM CN(CC1CCC1)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591054994 1173567215 /nfs/dbraw/zinc/56/72/15/1173567215.db2.gz XLSRWZZEXSPQJT-UHFFFAOYSA-N -1 1 287.327 1.526 20 0 CDADMM CN(CC1CCC1)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591054994 1173567218 /nfs/dbraw/zinc/56/72/18/1173567218.db2.gz XLSRWZZEXSPQJT-UHFFFAOYSA-N -1 1 287.327 1.526 20 0 CDADMM CN(CC1CCCCC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001591055271 1173569180 /nfs/dbraw/zinc/56/91/80/1173569180.db2.gz FNWUVKCLUUHVLH-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM COC(=O)/C=C(\C)COc1cccc(F)c1-c1nnn[n-]1 ZINC001591257955 1173595219 /nfs/dbraw/zinc/59/52/19/1173595219.db2.gz ZERYPHODBZNUED-SOFGYWHQSA-N -1 1 292.270 1.504 20 0 CDADMM COC(=O)/C=C(\C)COc1cccc(F)c1-c1nn[n-]n1 ZINC001591257955 1173595226 /nfs/dbraw/zinc/59/52/26/1173595226.db2.gz ZERYPHODBZNUED-SOFGYWHQSA-N -1 1 292.270 1.504 20 0 CDADMM CO[C@@](C)([C@H](C)Nc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001591318424 1173605477 /nfs/dbraw/zinc/60/54/77/1173605477.db2.gz RHYHUKRIMCMZCX-XPTSAGLGSA-N -1 1 288.355 1.299 20 0 CDADMM CO[C@@](C)([C@H](C)Nc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001591318424 1173605480 /nfs/dbraw/zinc/60/54/80/1173605480.db2.gz RHYHUKRIMCMZCX-XPTSAGLGSA-N -1 1 288.355 1.299 20 0 CDADMM CO[C@H]1CCCN(c2nc(-c3nnn[n-]3)ccc2C)C1 ZINC001591355480 1173625108 /nfs/dbraw/zinc/62/51/08/1173625108.db2.gz YXKOAYDKWJHEOY-JTQLQIEISA-N -1 1 274.328 1.185 20 0 CDADMM CO[C@H]1CCCN(c2nc(-c3nn[n-]n3)ccc2C)C1 ZINC001591355480 1173625112 /nfs/dbraw/zinc/62/51/12/1173625112.db2.gz YXKOAYDKWJHEOY-JTQLQIEISA-N -1 1 274.328 1.185 20 0 CDADMM COCCCCNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001591412225 1173649322 /nfs/dbraw/zinc/64/93/22/1173649322.db2.gz ILRBRWKSRRHPDQ-UHFFFAOYSA-N -1 1 262.317 1.409 20 0 CDADMM COCCCCNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001591412225 1173649326 /nfs/dbraw/zinc/64/93/26/1173649326.db2.gz ILRBRWKSRRHPDQ-UHFFFAOYSA-N -1 1 262.317 1.409 20 0 CDADMM COCCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001591422048 1173652473 /nfs/dbraw/zinc/65/24/73/1173652473.db2.gz SAVCMHOWHGKGMK-UHFFFAOYSA-N -1 1 274.737 1.059 20 0 CDADMM COCCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591422048 1173652476 /nfs/dbraw/zinc/65/24/76/1173652476.db2.gz SAVCMHOWHGKGMK-UHFFFAOYSA-N -1 1 274.737 1.059 20 0 CDADMM COc1cc(F)cc(Nc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001591540745 1173666053 /nfs/dbraw/zinc/66/60/53/1173666053.db2.gz KCIOFFFOSLRSEY-UHFFFAOYSA-N -1 1 287.258 1.548 20 0 CDADMM COc1cc(F)cc(Nc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001591540745 1173666055 /nfs/dbraw/zinc/66/60/55/1173666055.db2.gz KCIOFFFOSLRSEY-UHFFFAOYSA-N -1 1 287.258 1.548 20 0 CDADMM COc1cc(Cn2ccnc2-c2nnn[n-]2)ccc1Cl ZINC001591540335 1173667230 /nfs/dbraw/zinc/66/72/30/1173667230.db2.gz UKZGQEUQWJSOAZ-UHFFFAOYSA-N -1 1 290.714 1.774 20 0 CDADMM COc1cc(Cn2ccnc2-c2nn[n-]n2)ccc1Cl ZINC001591540335 1173667233 /nfs/dbraw/zinc/66/72/33/1173667233.db2.gz UKZGQEUQWJSOAZ-UHFFFAOYSA-N -1 1 290.714 1.774 20 0 CDADMM C[C@@H]1CC=CC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591732303 1173693682 /nfs/dbraw/zinc/69/36/82/1173693682.db2.gz QHQDZUHBMVOWJG-NXEZZACHSA-N -1 1 284.323 1.346 20 0 CDADMM C[C@@H]1CC=CC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591732303 1173693686 /nfs/dbraw/zinc/69/36/86/1173693686.db2.gz QHQDZUHBMVOWJG-NXEZZACHSA-N -1 1 284.323 1.346 20 0 CDADMM C[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)nc1)[C@H]1CC12CC2 ZINC001591732341 1173693948 /nfs/dbraw/zinc/69/39/48/1173693948.db2.gz CBEAUUJTDYRBNO-MWLCHTKSSA-N -1 1 299.334 1.536 20 0 CDADMM C[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)nc1)[C@H]1CC12CC2 ZINC001591732341 1173693956 /nfs/dbraw/zinc/69/39/56/1173693956.db2.gz CBEAUUJTDYRBNO-MWLCHTKSSA-N -1 1 299.334 1.536 20 0 CDADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001591735233 1173694976 /nfs/dbraw/zinc/69/49/76/1173694976.db2.gz UWMKYFQDTKJESN-NXEZZACHSA-N -1 1 286.339 1.522 20 0 CDADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001591735233 1173694977 /nfs/dbraw/zinc/69/49/77/1173694977.db2.gz UWMKYFQDTKJESN-NXEZZACHSA-N -1 1 286.339 1.522 20 0 CDADMM C[C@@H]1c2ccccc2CN1c1cncc(-c2nnn[n-]2)n1 ZINC001591758008 1173695718 /nfs/dbraw/zinc/69/57/18/1173695718.db2.gz HPQRFUGMDZNURH-SECBINFHSA-N -1 1 279.307 1.738 20 0 CDADMM C[C@@H]1c2ccccc2CN1c1cncc(-c2nn[n-]n2)n1 ZINC001591758008 1173695723 /nfs/dbraw/zinc/69/57/23/1173695723.db2.gz HPQRFUGMDZNURH-SECBINFHSA-N -1 1 279.307 1.738 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCCC2CSC2)n1 ZINC001591895404 1173741426 /nfs/dbraw/zinc/74/14/26/1173741426.db2.gz IMPFKKNBJKOBEF-UHFFFAOYSA-N -1 1 277.357 1.130 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCCC2CSC2)n1 ZINC001591895404 1173741437 /nfs/dbraw/zinc/74/14/37/1173741437.db2.gz IMPFKKNBJKOBEF-UHFFFAOYSA-N -1 1 277.357 1.130 20 0 CDADMM Cc1cc(C)cc(CC(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC001591953108 1173752353 /nfs/dbraw/zinc/75/23/53/1173752353.db2.gz OERFPBNUPOMXPS-UHFFFAOYSA-N -1 1 297.322 1.145 20 0 CDADMM Cc1ccc(-c2nnn[n-]2)nc1N1CC[C@@H](C)O[C@@H](C)C1 ZINC001592113853 1173805284 /nfs/dbraw/zinc/80/52/84/1173805284.db2.gz LJUQFTPGPCRTSI-MNOVXSKESA-N -1 1 288.355 1.574 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@@H](C)O[C@@H](C)C1 ZINC001592113853 1173805288 /nfs/dbraw/zinc/80/52/88/1173805288.db2.gz LJUQFTPGPCRTSI-MNOVXSKESA-N -1 1 288.355 1.574 20 0 CDADMM Cc1ccc(N(C)Cc2cnccc2C)c(-c2nnn[n-]2)n1 ZINC001592175562 1173822223 /nfs/dbraw/zinc/82/22/23/1173822223.db2.gz OTJPNTMHZNVOFW-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccc(N(C)Cc2cnccc2C)c(-c2nn[n-]n2)n1 ZINC001592175562 1173822228 /nfs/dbraw/zinc/82/22/28/1173822228.db2.gz OTJPNTMHZNVOFW-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccc(OC(=O)c2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001592186767 1173830919 /nfs/dbraw/zinc/83/09/19/1173830919.db2.gz PBYVSILPIFRDKN-UHFFFAOYSA-N -1 1 281.275 1.789 20 0 CDADMM Cc1ccc(OC(=O)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001592186767 1173830921 /nfs/dbraw/zinc/83/09/21/1173830921.db2.gz PBYVSILPIFRDKN-UHFFFAOYSA-N -1 1 281.275 1.789 20 0 CDADMM Cc1ccc(NCCCCCCO)nc1-c1nnn[n-]1 ZINC001592185665 1173831408 /nfs/dbraw/zinc/83/14/08/1173831408.db2.gz HWCYMSYOGHJBPM-UHFFFAOYSA-N -1 1 276.344 1.535 20 0 CDADMM Cc1ccc(NCCCCCCO)nc1-c1nn[n-]n1 ZINC001592185665 1173831414 /nfs/dbraw/zinc/83/14/14/1173831414.db2.gz HWCYMSYOGHJBPM-UHFFFAOYSA-N -1 1 276.344 1.535 20 0 CDADMM Cc1[nH]nc(NCc2ccccc2C)c1-c1nnn[n-]1 ZINC001592257080 1173835965 /nfs/dbraw/zinc/83/59/65/1173835965.db2.gz OZFOVAOBCAGVKR-UHFFFAOYSA-N -1 1 269.312 1.819 20 0 CDADMM Cc1[nH]nc(NCc2ccccc2C)c1-c1nn[n-]n1 ZINC001592257080 1173835969 /nfs/dbraw/zinc/83/59/69/1173835969.db2.gz OZFOVAOBCAGVKR-UHFFFAOYSA-N -1 1 269.312 1.819 20 0 CDADMM Cc1cccnc1CCNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001592263036 1173838405 /nfs/dbraw/zinc/83/84/05/1173838405.db2.gz LCSDWLKDDSSFTI-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1cccnc1CCNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001592263036 1173838408 /nfs/dbraw/zinc/83/84/08/1173838408.db2.gz LCSDWLKDDSSFTI-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccccc1OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001592259035 1173838450 /nfs/dbraw/zinc/83/84/50/1173838450.db2.gz IEBOSHKJUMYOME-UHFFFAOYSA-N -1 1 281.275 1.789 20 0 CDADMM Cc1ccccc1OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001592259035 1173838453 /nfs/dbraw/zinc/83/84/53/1173838453.db2.gz IEBOSHKJUMYOME-UHFFFAOYSA-N -1 1 281.275 1.789 20 0 CDADMM Cc1nc(NCCCOC(F)F)cc(-c2nnn[n-]2)n1 ZINC001592390099 1173879969 /nfs/dbraw/zinc/87/99/69/1173879969.db2.gz HZJGFAJHKIMKOA-UHFFFAOYSA-N -1 1 285.258 1.006 20 0 CDADMM Cc1nc(NCCCOC(F)F)cc(-c2nn[n-]n2)n1 ZINC001592390099 1173879972 /nfs/dbraw/zinc/87/99/72/1173879972.db2.gz HZJGFAJHKIMKOA-UHFFFAOYSA-N -1 1 285.258 1.006 20 0 CDADMM Cc1nc(S[C@H]2CCO[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592397268 1173880624 /nfs/dbraw/zinc/88/06/24/1173880624.db2.gz MLLQTEWWMPVFGG-RCOVLWMOSA-N -1 1 278.341 1.235 20 0 CDADMM Cc1nc(S[C@H]2CCO[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592397268 1173880629 /nfs/dbraw/zinc/88/06/29/1173880629.db2.gz MLLQTEWWMPVFGG-RCOVLWMOSA-N -1 1 278.341 1.235 20 0 CDADMM Cc1ncc(CCNc2cccnc2-c2nnn[n-]2)s1 ZINC001592411189 1173885105 /nfs/dbraw/zinc/88/51/05/1173885105.db2.gz WNDHJWAHWFKGRG-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM Cc1ncc(CCNc2cccnc2-c2nn[n-]n2)s1 ZINC001592411189 1173885116 /nfs/dbraw/zinc/88/51/16/1173885116.db2.gz WNDHJWAHWFKGRG-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM Cc1nn(C)c(NC(=O)CCC(C)(C)C)c1-c1nnn[n-]1 ZINC001592434516 1173886413 /nfs/dbraw/zinc/88/64/13/1173886413.db2.gz YBDAWTFILNFDOJ-UHFFFAOYSA-N -1 1 291.359 1.673 20 0 CDADMM Cc1nn(C)c(NC(=O)CCC(C)(C)C)c1-c1nn[n-]n1 ZINC001592434516 1173886417 /nfs/dbraw/zinc/88/64/17/1173886417.db2.gz YBDAWTFILNFDOJ-UHFFFAOYSA-N -1 1 291.359 1.673 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCc1ccoc1 ZINC001592500296 1173907205 /nfs/dbraw/zinc/90/72/05/1173907205.db2.gz CUECATHYTCCKGF-UHFFFAOYSA-N -1 1 287.279 1.334 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCc1ccoc1 ZINC001592500296 1173907210 /nfs/dbraw/zinc/90/72/10/1173907210.db2.gz CUECATHYTCCKGF-UHFFFAOYSA-N -1 1 287.279 1.334 20 0 CDADMM Cc1occc1CNc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001592512158 1173911796 /nfs/dbraw/zinc/91/17/96/1173911796.db2.gz FYJXIZRYDHOQTC-UHFFFAOYSA-N -1 1 285.311 1.981 20 0 CDADMM Cc1occc1CNc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592512158 1173911801 /nfs/dbraw/zinc/91/18/01/1173911801.db2.gz FYJXIZRYDHOQTC-UHFFFAOYSA-N -1 1 285.311 1.981 20 0 CDADMM Clc1ccc(NCc2nc(-c3nnn[n-]3)cs2)cn1 ZINC001592532059 1173913951 /nfs/dbraw/zinc/91/39/51/1173913951.db2.gz LEQPTGDFDXRRJW-UHFFFAOYSA-N -1 1 293.743 1.984 20 0 CDADMM Clc1ccc(NCc2nc(-c3nn[n-]n3)cs2)cn1 ZINC001592532059 1173913955 /nfs/dbraw/zinc/91/39/55/1173913955.db2.gz LEQPTGDFDXRRJW-UHFFFAOYSA-N -1 1 293.743 1.984 20 0 CDADMM FC1(F)CC(COc2cnc(-c3nn[n-]n3)nc2)C1 ZINC001592628339 1173934772 /nfs/dbraw/zinc/93/47/72/1173934772.db2.gz UZNCWPQERQVUNU-UHFFFAOYSA-N -1 1 268.227 1.081 20 0 CDADMM Fc1cccc(CNc2cncc(-c3nnn[n-]3)n2)c1F ZINC001592657611 1173955702 /nfs/dbraw/zinc/95/57/02/1173955702.db2.gz UPDZKJXRLYELIA-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM Fc1cccc(CNc2cncc(-c3nn[n-]n3)n2)c1F ZINC001592657611 1173955709 /nfs/dbraw/zinc/95/57/09/1173955709.db2.gz UPDZKJXRLYELIA-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM Fc1cccc(Oc2cncc(-c3nnn[n-]3)n2)c1 ZINC001592658427 1173958787 /nfs/dbraw/zinc/95/87/87/1173958787.db2.gz MXDKMMWTYAQYPU-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM Fc1cccc(Oc2cncc(-c3nn[n-]n3)n2)c1 ZINC001592658427 1173958788 /nfs/dbraw/zinc/95/87/88/1173958788.db2.gz MXDKMMWTYAQYPU-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C=CC1CCCC1 ZINC001592754098 1173985136 /nfs/dbraw/zinc/98/51/36/1173985136.db2.gz LZCANUIOWVPXOI-WAYWQWQTSA-N -1 1 273.300 1.032 20 0 CDADMM O=C(CCc1ccoc1)OCc1cccnc1-c1nnn[n-]1 ZINC001592856385 1173997687 /nfs/dbraw/zinc/99/76/87/1173997687.db2.gz IFIVFSQGOGWOSC-UHFFFAOYSA-N -1 1 299.290 1.531 20 0 CDADMM O=C(CCc1ccoc1)OCc1cccnc1-c1nn[n-]n1 ZINC001592856385 1173997694 /nfs/dbraw/zinc/99/76/94/1173997694.db2.gz IFIVFSQGOGWOSC-UHFFFAOYSA-N -1 1 299.290 1.531 20 0 CDADMM O=C(Cn1ccnc1-c1nnn[n-]1)c1ccsc1 ZINC001592940373 1174005421 /nfs/dbraw/zinc/00/54/21/1174005421.db2.gz BUBJALABIRSIEX-UHFFFAOYSA-N -1 1 260.282 1.008 20 0 CDADMM O=C(Cn1ccnc1-c1nn[n-]n1)c1ccsc1 ZINC001592940373 1174005425 /nfs/dbraw/zinc/00/54/25/1174005425.db2.gz BUBJALABIRSIEX-UHFFFAOYSA-N -1 1 260.282 1.008 20 0 CDADMM O=C(NC(C1CC1)C1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001592949107 1174005657 /nfs/dbraw/zinc/00/56/57/1174005657.db2.gz ZQXLWWHTCXTUBU-UHFFFAOYSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(NC(C1CC1)C1CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001592949107 1174005664 /nfs/dbraw/zinc/00/56/64/1174005664.db2.gz ZQXLWWHTCXTUBU-UHFFFAOYSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(N[C@H]1CC12CC2)c1ccsc1-c1nnn[n-]1 ZINC001592967038 1174008321 /nfs/dbraw/zinc/00/83/21/1174008321.db2.gz QCLCRXCQWCAFGS-ZETCQYMHSA-N -1 1 261.310 1.211 20 0 CDADMM O=C(N[C@H]1CC12CC2)c1ccsc1-c1nn[n-]n1 ZINC001592967038 1174008328 /nfs/dbraw/zinc/00/83/28/1174008328.db2.gz QCLCRXCQWCAFGS-ZETCQYMHSA-N -1 1 261.310 1.211 20 0 CDADMM O=C(NC[C@H]1CCCC12CC2)c1coc(-c2nnn[n-]2)c1 ZINC001593032329 1174015707 /nfs/dbraw/zinc/01/57/07/1174015707.db2.gz UBCCEHMCXRDMQQ-SNVBAGLBSA-N -1 1 287.323 1.770 20 0 CDADMM O=C(NC[C@H]1CCCC12CC2)c1coc(-c2nn[n-]n2)c1 ZINC001593032329 1174015711 /nfs/dbraw/zinc/01/57/11/1174015711.db2.gz UBCCEHMCXRDMQQ-SNVBAGLBSA-N -1 1 287.323 1.770 20 0 CDADMM O=C(NCC1CC=CC1)c1ccc(-c2nnn[n-]2)s1 ZINC001593030351 1174016400 /nfs/dbraw/zinc/01/64/00/1174016400.db2.gz MYYSPHCGWYQGTK-UHFFFAOYSA-N -1 1 275.337 1.624 20 0 CDADMM O=C(NCC1CC=CC1)c1ccc(-c2nn[n-]n2)s1 ZINC001593030351 1174016407 /nfs/dbraw/zinc/01/64/07/1174016407.db2.gz MYYSPHCGWYQGTK-UHFFFAOYSA-N -1 1 275.337 1.624 20 0 CDADMM O=C(NCCCC(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC001593067290 1174020603 /nfs/dbraw/zinc/02/06/03/1174020603.db2.gz YZBFVFRFEOABPD-UHFFFAOYSA-N -1 1 282.254 1.037 20 0 CDADMM O=C(NCCCC(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC001593067290 1174020610 /nfs/dbraw/zinc/02/06/10/1174020610.db2.gz YZBFVFRFEOABPD-UHFFFAOYSA-N -1 1 282.254 1.037 20 0 CDADMM O=C(N[C@@H]1C[C@H]1C1CC1)c1ccsc1-c1nnn[n-]1 ZINC001593179996 1174028840 /nfs/dbraw/zinc/02/88/40/1174028840.db2.gz IKPFQOHCSWEXOZ-DTWKUNHWSA-N -1 1 275.337 1.457 20 0 CDADMM O=C(N[C@@H]1C[C@H]1C1CC1)c1ccsc1-c1nn[n-]n1 ZINC001593179996 1174028843 /nfs/dbraw/zinc/02/88/43/1174028843.db2.gz IKPFQOHCSWEXOZ-DTWKUNHWSA-N -1 1 275.337 1.457 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC[C@@H](C2CC2)C1 ZINC001593243470 1174037389 /nfs/dbraw/zinc/03/73/89/1174037389.db2.gz MPMNNPDTYLDFHX-SNVBAGLBSA-N -1 1 299.338 1.526 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC[C@@H](C2CC2)C1 ZINC001593243470 1174037392 /nfs/dbraw/zinc/03/73/92/1174037392.db2.gz MPMNNPDTYLDFHX-SNVBAGLBSA-N -1 1 299.338 1.526 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001593256730 1174042652 /nfs/dbraw/zinc/04/26/52/1174042652.db2.gz XVFBHLBQBDLLRH-OPRDCNLKSA-N -1 1 299.338 1.572 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001593256730 1174042658 /nfs/dbraw/zinc/04/26/58/1174042658.db2.gz XVFBHLBQBDLLRH-OPRDCNLKSA-N -1 1 299.338 1.572 20 0 CDADMM O=C(OC1CC1)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001593281264 1174047861 /nfs/dbraw/zinc/04/78/61/1174047861.db2.gz HBPORKWHGYDCSV-UHFFFAOYSA-N -1 1 299.212 1.600 20 0 CDADMM O=C(OC[C@@H]1CCC[C@H](O)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001593284867 1174052519 /nfs/dbraw/zinc/05/25/19/1174052519.db2.gz UYFJVBZHUXKDQL-BDAKNGLRSA-N -1 1 292.295 1.168 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@]2(CC2(F)F)C1 ZINC001593340259 1174068859 /nfs/dbraw/zinc/06/88/59/1174068859.db2.gz IBFOCXRWENELDL-NSHDSACASA-N -1 1 295.249 1.331 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@]2(CC2(F)F)C1 ZINC001593340259 1174068863 /nfs/dbraw/zinc/06/88/63/1174068863.db2.gz IBFOCXRWENELDL-NSHDSACASA-N -1 1 295.249 1.331 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1OC2CCC1CC2 ZINC001593339034 1174068952 /nfs/dbraw/zinc/06/89/52/1174068952.db2.gz LHYCWLSUSXAEDN-UHFFFAOYSA-N -1 1 275.268 1.158 20 0 CDADMM O=Cc1ccc(Oc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001593416573 1174076407 /nfs/dbraw/zinc/07/64/07/1174076407.db2.gz ZYCUDWQPOMQSRM-UHFFFAOYSA-N -1 1 268.236 1.262 20 0 CDADMM O=Cc1ccc(Oc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001593416573 1174076412 /nfs/dbraw/zinc/07/64/12/1174076412.db2.gz ZYCUDWQPOMQSRM-UHFFFAOYSA-N -1 1 268.236 1.262 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1CC1CCCCC1 ZINC001593496840 1174088962 /nfs/dbraw/zinc/08/89/62/1174088962.db2.gz ZMKUHPUPJUESSG-UHFFFAOYSA-N -1 1 259.313 1.609 20 0 CDADMM O[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)C1CCC1 ZINC001593506849 1174090450 /nfs/dbraw/zinc/09/04/50/1174090450.db2.gz NNPWQCUZJJZIHR-SECBINFHSA-N -1 1 294.746 1.488 20 0 CDADMM O[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)C1CCC1 ZINC001593506849 1174090458 /nfs/dbraw/zinc/09/04/58/1174090458.db2.gz NNPWQCUZJJZIHR-SECBINFHSA-N -1 1 294.746 1.488 20 0 CDADMM OCC[C@H]1CCC[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC001593529766 1174105494 /nfs/dbraw/zinc/10/54/94/1174105494.db2.gz NIUINBOXWRJKKY-ZJUUUORDSA-N -1 1 274.328 1.225 20 0 CDADMM OCC[C@H]1CCC[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC001593529766 1174105497 /nfs/dbraw/zinc/10/54/97/1174105497.db2.gz NIUINBOXWRJKKY-ZJUUUORDSA-N -1 1 274.328 1.225 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CC[C@@H]2[C@H]2CCCOC2)c1 ZINC001593549998 1174120859 /nfs/dbraw/zinc/12/08/59/1174120859.db2.gz KJRFKTLLMHZCER-CMPLNLGQSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CC[C@@H]2[C@H]2CCCOC2)c1 ZINC001593549998 1174120862 /nfs/dbraw/zinc/12/08/62/1174120862.db2.gz KJRFKTLLMHZCER-CMPLNLGQSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(C2CCN(c3ccnc(-c4nnn[n-]4)c3)CC2)no1 ZINC001593558331 1174134098 /nfs/dbraw/zinc/13/40/98/1174134098.db2.gz CRMVRFVNVHIXRX-UHFFFAOYSA-N -1 1 297.322 1.634 20 0 CDADMM c1cc(C2CCN(c3ccnc(-c4nn[n-]n4)c3)CC2)no1 ZINC001593558331 1174134101 /nfs/dbraw/zinc/13/41/01/1174134101.db2.gz CRMVRFVNVHIXRX-UHFFFAOYSA-N -1 1 297.322 1.634 20 0 CDADMM c1cc(Nc2ccc(C3CC3)cc2)nc(-c2nn[n-]n2)n1 ZINC001593560539 1174136617 /nfs/dbraw/zinc/13/66/17/1174136617.db2.gz FWSSYUJXJSLQQI-UHFFFAOYSA-N -1 1 279.307 1.700 20 0 CDADMM c1cc(N[C@@H]2C[C@H]2C2CCC2)cc(-c2nnn[n-]2)n1 ZINC001593561763 1174138580 /nfs/dbraw/zinc/13/85/80/1174138580.db2.gz XDLGDKREVDSYLR-WDEREUQCSA-N -1 1 256.313 1.284 20 0 CDADMM c1cc(N[C@@H]2C[C@H]2C2CCC2)cc(-c2nn[n-]n2)n1 ZINC001593561763 1174138586 /nfs/dbraw/zinc/13/85/86/1174138586.db2.gz XDLGDKREVDSYLR-WDEREUQCSA-N -1 1 256.313 1.284 20 0 CDADMM c1cc2c(o1)CCCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001593564612 1174140166 /nfs/dbraw/zinc/14/01/66/1174140166.db2.gz MAFFWYPMBJGKNY-UHFFFAOYSA-N -1 1 283.295 1.203 20 0 CDADMM c1cc2c(o1)CCCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001593564612 1174140168 /nfs/dbraw/zinc/14/01/68/1174140168.db2.gz MAFFWYPMBJGKNY-UHFFFAOYSA-N -1 1 283.295 1.203 20 0 CDADMM c1ccc([C@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001593572466 1174143773 /nfs/dbraw/zinc/14/37/73/1174143773.db2.gz AFWIDCUHEWYYLF-CYBMUJFWSA-N -1 1 293.334 1.998 20 0 CDADMM c1ccc([C@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001593572466 1174143777 /nfs/dbraw/zinc/14/37/77/1174143777.db2.gz AFWIDCUHEWYYLF-CYBMUJFWSA-N -1 1 293.334 1.998 20 0 CDADMM c1ccc([C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)nc1 ZINC001593572930 1174145440 /nfs/dbraw/zinc/14/54/40/1174145440.db2.gz INBNNBUETPPOMH-LBPRGKRZSA-N -1 1 294.322 1.393 20 0 CDADMM c1ccc([C@@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)nc1 ZINC001593572930 1174145445 /nfs/dbraw/zinc/14/54/45/1174145445.db2.gz INBNNBUETPPOMH-LBPRGKRZSA-N -1 1 294.322 1.393 20 0 CDADMM c1cnc2ccc(Oc3nnccc3-c3nnn[n-]3)cc2c1 ZINC001593588245 1174156178 /nfs/dbraw/zinc/15/61/78/1174156178.db2.gz YDIQGZCLQOMBII-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1cnc2ccc(Oc3nnccc3-c3nn[n-]n3)cc2c1 ZINC001593588245 1174156182 /nfs/dbraw/zinc/15/61/82/1174156182.db2.gz YDIQGZCLQOMBII-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1cncc(COc2cccnc2-c2nnn[n-]2)c1 ZINC001593587538 1174156413 /nfs/dbraw/zinc/15/64/13/1174156413.db2.gz JSYNPMFUEZNRPW-UHFFFAOYSA-N -1 1 254.253 1.236 20 0 CDADMM c1cncc(COc2cccnc2-c2nn[n-]n2)c1 ZINC001593587538 1174156415 /nfs/dbraw/zinc/15/64/15/1174156415.db2.gz JSYNPMFUEZNRPW-UHFFFAOYSA-N -1 1 254.253 1.236 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CCC3(CCC3)CC2)n1 ZINC001593590126 1174157206 /nfs/dbraw/zinc/15/72/06/1174157206.db2.gz HETCRQVUOYKLLU-UHFFFAOYSA-N -1 1 271.328 1.427 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CCC3(CCC3)CC2)n1 ZINC001593590126 1174157210 /nfs/dbraw/zinc/15/72/10/1174157210.db2.gz HETCRQVUOYKLLU-UHFFFAOYSA-N -1 1 271.328 1.427 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NC[C@@H]1CC2(CCC2)CO1 ZINC001593590088 1174158363 /nfs/dbraw/zinc/15/83/63/1174158363.db2.gz FHZVGCJKHDQXMA-VIFPVBQESA-N -1 1 287.327 1.028 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NC[C@@H]1CC2(CCC2)CO1 ZINC001593590088 1174158367 /nfs/dbraw/zinc/15/83/67/1174158367.db2.gz FHZVGCJKHDQXMA-VIFPVBQESA-N -1 1 287.327 1.028 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NC[C@]23C[C@H]2CCC3)n1 ZINC001593594623 1174162063 /nfs/dbraw/zinc/16/20/63/1174162063.db2.gz DGMLZKMYQYNZTI-PELKAZGASA-N -1 1 257.301 1.259 20 0 CDADMM c1ncc(N2CCCCCCCC2)nc1-c1nnn[n-]1 ZINC001593593639 1174162291 /nfs/dbraw/zinc/16/22/91/1174162291.db2.gz SIZGTVMFSJULEJ-UHFFFAOYSA-N -1 1 273.344 1.817 20 0 CDADMM CC(C)[C@H](CO)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000092407498 1174384950 /nfs/dbraw/zinc/38/49/50/1174384950.db2.gz OIPWWZYNBHNQPH-JTQLQIEISA-N -1 1 279.308 1.260 20 0 CDADMM Cc1cc(C[C@H](C)Nc2ncc(C(=O)[O-])cn2)[nH]n1 ZINC001600188647 1174392407 /nfs/dbraw/zinc/39/24/07/1174392407.db2.gz HDDRRAPFUMTZAH-ZETCQYMHSA-N -1 1 261.285 1.249 20 0 CDADMM Cc1cc(NC(=O)[C@H](C)N2CC[C@H](C(=O)[O-])[C@@H]2C)on1 ZINC001600249688 1174422608 /nfs/dbraw/zinc/42/26/08/1174422608.db2.gz LBMVCDHXJOWSKZ-GUBZILKMSA-N -1 1 281.312 1.105 20 0 CDADMM Cc1cc(NC(=O)Nc2c[nH]nn2)cc(C(=O)[O-])c1 ZINC001600282948 1174437858 /nfs/dbraw/zinc/43/78/58/1174437858.db2.gz MXVOJUNWLHIWQR-UHFFFAOYSA-N -1 1 261.241 1.455 20 0 CDADMM CN1CCO[C@H]2CN(Cc3cc(F)c([O-])c(F)c3)C[C@@H]21 ZINC000093642442 1174448265 /nfs/dbraw/zinc/44/82/65/1174448265.db2.gz NHLREYCHTSUVDX-STQMWFEESA-N -1 1 284.306 1.185 20 0 CDADMM Cc1ccc(CN(CC(=O)NCCC(=O)[O-])C(C)C)s1 ZINC001600410587 1174465842 /nfs/dbraw/zinc/46/58/42/1174465842.db2.gz SVCYQAFGRFGWET-UHFFFAOYSA-N -1 1 298.408 1.858 20 0 CDADMM Cc1cn(C)nc1CN1[C@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001600612543 1174529222 /nfs/dbraw/zinc/52/92/22/1174529222.db2.gz LGIUJAJJLPHGON-VZZFWQQMSA-N -1 1 293.367 1.324 20 0 CDADMM Cc1n[nH]nc1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001600675535 1174559714 /nfs/dbraw/zinc/55/97/14/1174559714.db2.gz DRSUSDJFTAXXSS-SNVBAGLBSA-N -1 1 292.270 1.198 20 0 CDADMM Cc1[nH+]c(N2CC[C@@](C)(C(=O)[O-])C2)ccc1C(=O)[O-] ZINC001600708170 1174575002 /nfs/dbraw/zinc/57/50/02/1174575002.db2.gz HKIQYSLNPFWWBI-CYBMUJFWSA-N -1 1 264.281 1.389 20 0 CDADMM Cc1nc2ccccn2c1C[N@@H+](CCC(=O)[O-])CC(=O)[O-] ZINC001600729831 1174581158 /nfs/dbraw/zinc/58/11/58/1174581158.db2.gz AZCKHOUATSQTDM-UHFFFAOYSA-N -1 1 291.307 1.004 20 0 CDADMM Cc1nc([C@@H](C)NC(=O)C=Cc2cc(C(=O)[O-])co2)n[nH]1 ZINC001600792112 1174611774 /nfs/dbraw/zinc/61/17/74/1174611774.db2.gz KKRSWGRSOFEZOL-KFOINNEUSA-N -1 1 290.279 1.295 20 0 CDADMM Cc1noc([C@@H]2CCCN2CC2(C(=O)[O-])CC2)n1 ZINC001600813335 1174624086 /nfs/dbraw/zinc/62/40/86/1174624086.db2.gz KEPRKKNHFRMVSP-VIFPVBQESA-N -1 1 251.286 1.380 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)Cc3cc[nH]n3)[nH]c21 ZINC001601370997 1174848360 /nfs/dbraw/zinc/84/83/60/1174848360.db2.gz ORHIJMPTDFVLRD-UHFFFAOYSA-N -1 1 285.263 1.165 20 0 CDADMM O=C([O-])[C@H](CCF)NC(=O)c1cccc(F)c1O ZINC001601417200 1174864559 /nfs/dbraw/zinc/86/45/59/1174864559.db2.gz OLYKTVSGYJCZOA-QMMMGPOBSA-N -1 1 259.208 1.074 20 0 CDADMM O=C([O-])[C@@H](NCc1cnn(CCF)c1)c1cccc(O)c1 ZINC001601677311 1174942452 /nfs/dbraw/zinc/94/24/52/1174942452.db2.gz XMGLLMQCHQPTHV-ZDUSSCGKSA-N -1 1 293.298 1.474 20 0 CDADMM O=C([O-])[C@@]1(F)CCN(Cc2ccnn2-c2ccncc2)C1 ZINC001601716754 1174964648 /nfs/dbraw/zinc/96/46/48/1174964648.db2.gz FKITWCMBQMNFLY-CQSZACIVSA-N -1 1 290.298 1.266 20 0 CDADMM O=C([O-])C1=CC[C@@H](NC(=O)c2cc3[nH]cnc3cc2F)C1 ZINC001601734384 1174974651 /nfs/dbraw/zinc/97/46/51/1174974651.db2.gz CGBLVKFYBZZOAH-MRVPVSSYSA-N -1 1 289.266 1.605 20 0 CDADMM O=C([O-])[C@@H]1CC(=O)N(CN2CCC(C3CCCC3)CC2)C1 ZINC001601759585 1174993173 /nfs/dbraw/zinc/99/31/73/1174993173.db2.gz TUHBSYLHSIYHQR-CQSZACIVSA-N -1 1 294.395 1.779 20 0 CDADMM O=C([O-])[C@H]1CCN1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC001601834521 1175029607 /nfs/dbraw/zinc/02/96/07/1175029607.db2.gz OPNQFVHMWBADNT-GFCCVEGCSA-N -1 1 289.266 1.515 20 0 CDADMM O=C([O-])Cc1c[nH]n(-c2nc(C(F)(F)F)cs2)c1=O ZINC001601939494 1175076691 /nfs/dbraw/zinc/07/66/91/1175076691.db2.gz COLIRCIPZQDPFO-SCSAIBSYSA-N -1 1 293.226 1.585 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](C(=O)N2CCC(c3cnc[nH]3)CC2)C1 ZINC001602213997 1175169249 /nfs/dbraw/zinc/16/92/49/1175169249.db2.gz CNJJIRFTNJRCOK-PHIMTYICSA-N -1 1 277.324 1.227 20 0 CDADMM O=C([O-])c1ccc(C(=O)Nc2cccc3[nH]nnc32)nc1 ZINC001602324770 1175205644 /nfs/dbraw/zinc/20/56/44/1175205644.db2.gz AZFBAXDUXMONRO-UHFFFAOYSA-N -1 1 283.247 1.303 20 0 CDADMM O=C([O-])c1ccc(CNCC[S@@](=O)CC(F)(F)F)o1 ZINC001602348213 1175220097 /nfs/dbraw/zinc/22/00/97/1175220097.db2.gz VPFDPRKKDUJZKP-LJQANCHMSA-N -1 1 299.270 1.378 20 0 CDADMM O=C([O-])c1ccc(CNCc2ccc(=O)[nH]c2)c(F)c1 ZINC001602347485 1175219412 /nfs/dbraw/zinc/21/94/12/1175219412.db2.gz CKUFZEYZLCIRBR-UHFFFAOYSA-N -1 1 276.267 1.914 20 0 CDADMM O=C([O-])c1cccc(CN2C[C@H]3[C@H](CO)[C@H]3C2)c1Cl ZINC001602436845 1175239511 /nfs/dbraw/zinc/23/95/11/1175239511.db2.gz SPLSVSHNLVXSQI-GDNZZTSVSA-N -1 1 281.739 1.708 20 0 CDADMM CC(C)(C)c1csc(Cn2cc(-c3nn[n-]n3)nn2)n1 ZINC001603120689 1175494700 /nfs/dbraw/zinc/49/47/00/1175494700.db2.gz LLTVBIFJICPDQO-UHFFFAOYSA-N -1 1 290.356 1.261 20 0 CDADMM CC(C)[C@H](O)CCSc1cccnc1-c1nnn[n-]1 ZINC001603231018 1175519938 /nfs/dbraw/zinc/51/99/38/1175519938.db2.gz ITCWXRXEAAVIQR-SECBINFHSA-N -1 1 279.369 1.761 20 0 CDADMM CC(C)[C@H](O)CCSc1cccnc1-c1nn[n-]n1 ZINC001603231018 1175519950 /nfs/dbraw/zinc/51/99/50/1175519950.db2.gz ITCWXRXEAAVIQR-SECBINFHSA-N -1 1 279.369 1.761 20 0 CDADMM CC(C)C[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001603270499 1175530734 /nfs/dbraw/zinc/53/07/34/1175530734.db2.gz QXRMBQMNPNIJIH-SNVBAGLBSA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)C[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001603270499 1175530738 /nfs/dbraw/zinc/53/07/38/1175530738.db2.gz QXRMBQMNPNIJIH-SNVBAGLBSA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)CCn1ccc(Nc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001603284665 1175532759 /nfs/dbraw/zinc/53/27/59/1175532759.db2.gz JCLFZGHBVKYUNI-UHFFFAOYSA-N -1 1 299.342 1.065 20 0 CDADMM CC(C)(C)N1CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)CC1 ZINC001603345882 1175545052 /nfs/dbraw/zinc/54/50/52/1175545052.db2.gz WSZSDKVIARCESM-UHFFFAOYSA-N -1 1 280.368 1.184 20 0 CDADMM CC(C)c1ccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)cn1 ZINC001603394921 1175551077 /nfs/dbraw/zinc/55/10/77/1175551077.db2.gz GPMUWAPRGWXSPW-UHFFFAOYSA-N -1 1 298.310 1.361 20 0 CDADMM C[C@@H](CC1CCC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001603462861 1175556842 /nfs/dbraw/zinc/55/68/42/1175556842.db2.gz BUDRSLFPPPXFBM-VIFPVBQESA-N -1 1 258.329 1.674 20 0 CDADMM C[C@@H](CC1CCC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001603462861 1175556849 /nfs/dbraw/zinc/55/68/49/1175556849.db2.gz BUDRSLFPPPXFBM-VIFPVBQESA-N -1 1 258.329 1.674 20 0 CDADMM C[C@@H](F)CCNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603599017 1175577603 /nfs/dbraw/zinc/57/76/03/1175577603.db2.gz OEDBCXRTWWFCPS-SSDOTTSWSA-N -1 1 279.279 1.131 20 0 CDADMM C[C@@H](F)CCNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603599017 1175577607 /nfs/dbraw/zinc/57/76/07/1175577607.db2.gz OEDBCXRTWWFCPS-SSDOTTSWSA-N -1 1 279.279 1.131 20 0 CDADMM C[C@H](Sc1cccnc1-c1nnn[n-]1)c1ncccn1 ZINC001603720269 1175608477 /nfs/dbraw/zinc/60/84/77/1175608477.db2.gz CPYMHSBEGWDCNT-QMMMGPOBSA-N -1 1 285.336 1.905 20 0 CDADMM C[C@H](Sc1cccnc1-c1nn[n-]n1)c1ncccn1 ZINC001603720269 1175608479 /nfs/dbraw/zinc/60/84/79/1175608479.db2.gz CPYMHSBEGWDCNT-QMMMGPOBSA-N -1 1 285.336 1.905 20 0 CDADMM C[C@@]1(COC(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@H]1F ZINC001603807390 1175638839 /nfs/dbraw/zinc/63/88/39/1175638839.db2.gz CUEVEIYDFJZYQJ-RNCFNFMXSA-N -1 1 294.261 1.911 20 0 CDADMM C[C@@]1(COC(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@H]1F ZINC001603807390 1175638841 /nfs/dbraw/zinc/63/88/41/1175638841.db2.gz CUEVEIYDFJZYQJ-RNCFNFMXSA-N -1 1 294.261 1.911 20 0 CDADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603864140 1175656979 /nfs/dbraw/zinc/65/69/79/1175656979.db2.gz CYASOBALFJCCEF-KATARQTJSA-N -1 1 284.323 1.492 20 0 CDADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603864140 1175656983 /nfs/dbraw/zinc/65/69/83/1175656983.db2.gz CYASOBALFJCCEF-KATARQTJSA-N -1 1 284.323 1.492 20 0 CDADMM C[C@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@H]1C ZINC001603903667 1175678512 /nfs/dbraw/zinc/67/85/12/1175678512.db2.gz SBHBLDFICTUUGJ-IUCAKERBSA-N -1 1 287.327 1.524 20 0 CDADMM C[C@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@H]1C ZINC001603903667 1175678515 /nfs/dbraw/zinc/67/85/15/1175678515.db2.gz SBHBLDFICTUUGJ-IUCAKERBSA-N -1 1 287.327 1.524 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC(C)(C)O1 ZINC001603931427 1175688894 /nfs/dbraw/zinc/68/88/94/1175688894.db2.gz OMTRZBHBXKTYHX-MRVPVSSYSA-N -1 1 291.311 1.099 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)CC(C)(C)O1 ZINC001603931427 1175688900 /nfs/dbraw/zinc/68/89/00/1175688900.db2.gz OMTRZBHBXKTYHX-MRVPVSSYSA-N -1 1 291.311 1.099 20 0 CDADMM C[C@H]1OCC[C@H]1c1nnc(-c2ccc(-c3nnn[n-]3)o2)o1 ZINC001603955756 1175696930 /nfs/dbraw/zinc/69/69/30/1175696930.db2.gz RFILKTZLQNAIKK-RNFRBKRXSA-N -1 1 288.267 1.402 20 0 CDADMM C[C@H]1OCC[C@H]1c1nnc(-c2ccc(-c3nn[n-]n3)o2)o1 ZINC001603955756 1175696935 /nfs/dbraw/zinc/69/69/35/1175696935.db2.gz RFILKTZLQNAIKK-RNFRBKRXSA-N -1 1 288.267 1.402 20 0 CDADMM CCC(=O)[C@H](C)OC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001603965769 1175700121 /nfs/dbraw/zinc/70/01/21/1175700121.db2.gz PIOHBOVIBSEAAY-ZETCQYMHSA-N -1 1 278.268 1.293 20 0 CDADMM CCC(=O)[C@H](C)OC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001603965769 1175700126 /nfs/dbraw/zinc/70/01/26/1175700126.db2.gz PIOHBOVIBSEAAY-ZETCQYMHSA-N -1 1 278.268 1.293 20 0 CDADMM CC[C@@](C)(NC(=O)c1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC001603987361 1175708859 /nfs/dbraw/zinc/70/88/59/1175708859.db2.gz PYGJTMDXUQFEFZ-CYBMUJFWSA-N -1 1 275.312 1.768 20 0 CDADMM CC[C@@](C)(NC(=O)c1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC001603987361 1175708863 /nfs/dbraw/zinc/70/88/63/1175708863.db2.gz PYGJTMDXUQFEFZ-CYBMUJFWSA-N -1 1 275.312 1.768 20 0 CDADMM CC[C@@H](C)[C@@](C)(O)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001603996219 1175711942 /nfs/dbraw/zinc/71/19/42/1175711942.db2.gz 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ZINC000156419274 1178183617 /nfs/dbraw/zinc/18/36/17/1178183617.db2.gz WZPMQZIBDDZHJI-NSHDSACASA-N -1 1 267.354 1.177 20 0 CDADMM C[C@H](CC(=O)[O-])NC(=O)[C@H](N)Cc1c[nH]c2ccccc12 ZINC000161165039 1178668864 /nfs/dbraw/zinc/66/88/64/1178668864.db2.gz CZVKSXIZWKUJCM-BXKDBHETSA-N -1 1 289.335 1.017 20 0 CDADMM Cc1cc(C(=O)Nc2nn[n-]n2)nc2ccccc12 ZINC000170852319 1181225531 /nfs/dbraw/zinc/22/55/31/1181225531.db2.gz YPBHOGKBUCQWRG-UHFFFAOYSA-N -1 1 254.253 1.309 20 0 CDADMM CCC[C@H](NC(=O)c1n[nH]nc1-c1ccccc1)C(=O)[O-] ZINC000263405038 1182236364 /nfs/dbraw/zinc/23/63/64/1182236364.db2.gz HLPGYHRALZGZQF-JTQLQIEISA-N -1 1 288.307 1.455 20 0 CDADMM CCN(CC1CCC1)c1nnc(Cc2nnn[n-]2)n1CC ZINC001772185260 1186801214 /nfs/dbraw/zinc/80/12/14/1186801214.db2.gz DBIOPWIDNFWJPF-UHFFFAOYSA-N -1 1 290.375 1.028 20 0 CDADMM CCN(CC1CCC1)c1nnc(Cc2nn[n-]n2)n1CC ZINC001772185260 1186801217 /nfs/dbraw/zinc/80/12/17/1186801217.db2.gz DBIOPWIDNFWJPF-UHFFFAOYSA-N -1 1 290.375 1.028 20 0 CDADMM O=C([O-])c1coc(CN2CCOCC3(CCOCC3)C2)c1 ZINC001771761362 1186862474 /nfs/dbraw/zinc/86/24/74/1186862474.db2.gz FGGVPCAROZAWPC-UHFFFAOYSA-N -1 1 295.335 1.607 20 0 CDADMM CC(C)CN(CCC(=O)[O-])Cc1ncnn1CCF ZINC001771762594 1186863624 /nfs/dbraw/zinc/86/36/24/1186863624.db2.gz VUXUHIIYPPQOTM-UHFFFAOYSA-N -1 1 272.324 1.180 20 0 CDADMM CC(C)C[C@@H]1CN(C)CCN1C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001772382328 1187207005 /nfs/dbraw/zinc/20/70/05/1187207005.db2.gz MTQIENICJZZEEX-FRRDWIJNSA-N -1 1 282.384 1.286 20 0 CDADMM O=C([O-])CCCCN1CCn2cnc(C(F)(F)F)c2C1 ZINC001606159957 1163792418 /nfs/dbraw/zinc/79/24/18/1163792418.db2.gz BTKXAPAQBJDELF-UHFFFAOYSA-N -1 1 291.273 1.972 20 0 CDADMM Clc1nc(N2CC[C@@]23CCOC3)sc1-c1nnn[n-]1 ZINC001606198837 1163804681 /nfs/dbraw/zinc/80/46/81/1163804681.db2.gz SZUPEHVGTIOCGQ-JTQLQIEISA-N -1 1 298.759 1.346 20 0 CDADMM Clc1nc(N2CC[C@@]23CCOC3)sc1-c1nn[n-]n1 ZINC001606198837 1163804685 /nfs/dbraw/zinc/80/46/85/1163804685.db2.gz SZUPEHVGTIOCGQ-JTQLQIEISA-N -1 1 298.759 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ZINC000599334821 344021879 /nfs/dbraw/zinc/02/18/79/344021879.db2.gz TZNPDRUUIJIXFQ-JTQLQIEISA-N -1 1 289.339 1.407 20 0 CDADMM CC(C)CNC(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000351881470 362048039 /nfs/dbraw/zinc/04/80/39/362048039.db2.gz LBRSLTDNQUFGLO-UHFFFAOYSA-N -1 1 291.323 1.984 20 0 CDADMM C[C@@H]1[C@H](C)N(C)CCN1C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000329859503 362074567 /nfs/dbraw/zinc/07/45/67/362074567.db2.gz WSMKAJROAYDOQG-WDEREUQCSA-N -1 1 289.383 1.332 20 0 CDADMM O=S(=O)([N-]c1cccc(O)c1F)c1cncc(F)c1 ZINC000535054256 282232992 /nfs/dbraw/zinc/23/29/92/282232992.db2.gz XEVCZANNXRWKCS-UHFFFAOYSA-N -1 1 286.259 1.866 20 0 CDADMM O=C([O-])CN1CCCC[C@@H](N2Cc3ccccc3C2)C1=O ZINC000643873810 362179177 /nfs/dbraw/zinc/17/91/77/362179177.db2.gz HNHHLRGUERWOJS-CQSZACIVSA-N -1 1 288.347 1.468 20 0 CDADMM CC(C)(NC(=O)CCc1ccc(F)cc1)c1nn[n-]n1 ZINC000095137957 342430479 /nfs/dbraw/zinc/43/04/79/342430479.db2.gz CSZRAWCUPRGEIL-UHFFFAOYSA-N -1 1 277.303 1.323 20 0 CDADMM CC(C)(NC(=O)c1cccc2cccnc21)c1nn[n-]n1 ZINC000095138210 342430494 /nfs/dbraw/zinc/43/04/94/342430494.db2.gz NHANBHNTXGEHRZ-UHFFFAOYSA-N -1 1 282.307 1.413 20 0 CDADMM Cc1nc2ccccc2c(SCc2nn[n-]n2)n1 ZINC000095215047 342431126 /nfs/dbraw/zinc/43/11/26/342431126.db2.gz DQHNPOIUNKCWKI-UHFFFAOYSA-N -1 1 258.310 1.744 20 0 CDADMM CCc1cnc(CN(C)C(=O)CCCc2nn[n-]n2)s1 ZINC000635645810 362259630 /nfs/dbraw/zinc/25/96/30/362259630.db2.gz YRBXRFHTBBBLCP-UHFFFAOYSA-N -1 1 294.384 1.200 20 0 CDADMM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)CCCc1nn[n-]n1 ZINC000635649772 362272843 /nfs/dbraw/zinc/27/28/43/362272843.db2.gz SWFNGDSCOSJHQR-QWRGUYRKSA-N -1 1 279.388 1.853 20 0 CDADMM Cc1cnc(C(=O)N2CCO[C@@H](c3ccco3)C2)c([O-])c1 ZINC000332270154 362440001 /nfs/dbraw/zinc/44/00/01/362440001.db2.gz CPYMIHVHMFOCMJ-CYBMUJFWSA-N -1 1 288.303 1.902 20 0 CDADMM C[C@@H](NC(=O)c1ncccc1[O-])C(=O)OC(C)(C)C ZINC000148154648 362448167 /nfs/dbraw/zinc/44/81/67/362448167.db2.gz AINLLQUMQLJQED-MRVPVSSYSA-N -1 1 266.297 1.247 20 0 CDADMM C[C@H](CCCO)NC(=O)c1ncc2ccccc2c1[O-] ZINC000612236412 347086041 /nfs/dbraw/zinc/08/60/41/347086041.db2.gz UUNLFEIRKOCANU-SNVBAGLBSA-N -1 1 274.320 1.831 20 0 CDADMM COC[C@H]([N-]S(=O)(=O)c1ccc(C)nc1)c1ccco1 ZINC000447750287 362497708 /nfs/dbraw/zinc/49/77/08/362497708.db2.gz IPNBJSJQOWAULU-LBPRGKRZSA-N -1 1 296.348 1.649 20 0 CDADMM C[C@H](CN(C)C(=O)C1CCC=CCC1)c1nn[n-]n1 ZINC000635798462 362561854 /nfs/dbraw/zinc/56/18/54/362561854.db2.gz WRBXRIBUAXTANJ-SNVBAGLBSA-N -1 1 263.345 1.508 20 0 CDADMM O=C(CC[C@@H]1CCCCO1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000538225216 282397614 /nfs/dbraw/zinc/39/76/14/282397614.db2.gz QHBUUSGLFWYDPL-RYUDHWBXSA-N -1 1 293.371 1.255 20 0 CDADMM COCCC1(C(=O)NCc2cc(=O)[n-]c(SC)n2)CC1 ZINC000640656140 362659907 /nfs/dbraw/zinc/65/99/07/362659907.db2.gz MYGVRFPJLNNDEI-UHFFFAOYSA-N -1 1 297.380 1.337 20 0 CDADMM CSc1nc(CNC(=O)C[C@](C)(O)C2CC2)cc(=O)[n-]1 ZINC000640656539 362661728 /nfs/dbraw/zinc/66/17/28/362661728.db2.gz QVYPRMBSXVRDMI-ZDUSSCGKSA-N -1 1 297.380 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1.074 20 0 CDADMM CCCCC(=O)NCc1cc(=O)[n-]c(SC)n1 ZINC000640659264 362691926 /nfs/dbraw/zinc/69/19/26/362691926.db2.gz YHSWMQQAAQMPBZ-UHFFFAOYSA-N -1 1 255.343 1.711 20 0 CDADMM CC(C)(CCN1CCOC[C@H]1[C@H]1CCCO1)CC(=O)[O-] ZINC000584845590 346455233 /nfs/dbraw/zinc/45/52/33/346455233.db2.gz VIWPGKHMVRIBHT-QWHCGFSZSA-N -1 1 285.384 1.757 20 0 CDADMM CC[C@H](Cc1ccccc1)C(=O)NC(C)(C)c1nn[n-]n1 ZINC000584873820 346458150 /nfs/dbraw/zinc/45/81/50/346458150.db2.gz WKMPRWOJKAEOSW-GFCCVEGCSA-N -1 1 287.367 1.820 20 0 CDADMM CC(C)n1c(CNC(=O)Nc2ccn(C)n2)n[n-]c1=S ZINC000085580086 179100124 /nfs/dbraw/zinc/10/01/24/179100124.db2.gz CYUJUHXYWJMOCY-UHFFFAOYSA-N -1 1 295.372 1.577 20 0 CDADMM C[C@H](CO)CNC(=O)c1ncc2ccccc2c1[O-] ZINC000612447110 347174067 /nfs/dbraw/zinc/17/40/67/347174067.db2.gz MSVLYVRZRXYRMP-VIFPVBQESA-N -1 1 260.293 1.299 20 0 CDADMM C[C@H](O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000085990536 179213749 /nfs/dbraw/zinc/21/37/49/179213749.db2.gz QEHDNRCZVMZRIY-LURJTMIESA-N -1 1 283.271 1.153 20 0 CDADMM CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000613513539 347770327 /nfs/dbraw/zinc/77/03/27/347770327.db2.gz ADZSZHITGGHVHI-SECBINFHSA-N -1 1 283.299 1.943 20 0 CDADMM CC(C)C[C@@H](CO)NC(=O)c1cc(F)ccc1[O-] ZINC000128707154 187385713 /nfs/dbraw/zinc/38/57/13/187385713.db2.gz HUPJPTCECDXMKR-JTQLQIEISA-N -1 1 255.289 1.668 20 0 CDADMM CO[C@@H]1COCC[C@H]1CN=c1nc(C(F)(F)F)[n-]s1 ZINC000450706688 362861388 /nfs/dbraw/zinc/86/13/88/362861388.db2.gz ZHLMAKBPYXSCNZ-NKWVEPMBSA-N -1 1 297.302 1.442 20 0 CDADMM CC[C@H]1CCCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC000352129624 362881445 /nfs/dbraw/zinc/88/14/45/362881445.db2.gz SCFJPVRAHASUQY-QMMMGPOBSA-N -1 1 281.312 1.159 20 0 CDADMM CO[C@H]1CCC[C@H](CC(=O)Nc2c(C)[n-][nH]c2=O)C1 ZINC000615222123 348395741 /nfs/dbraw/zinc/39/57/41/348395741.db2.gz PVWFLFDZZLAOAY-UWVGGRQHSA-N -1 1 267.329 1.958 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)Cc1ccc2c(c1)COC2 ZINC000615223106 348397403 /nfs/dbraw/zinc/39/74/03/348397403.db2.gz YWTAXQUDOQEBMO-UHFFFAOYSA-N -1 1 273.292 1.635 20 0 CDADMM CO[C@H](CC(=O)Nc1c(C)[n-][nH]c1=O)C(F)(F)F ZINC000615227604 348399131 /nfs/dbraw/zinc/39/91/31/348399131.db2.gz IJDADXPREAAARQ-RXMQYKEDSA-N -1 1 267.207 1.330 20 0 CDADMM Cc1n[n-]c(=S)n1CCNC(=O)[C@H]1CC1(Cl)Cl ZINC000073942411 349187876 /nfs/dbraw/zinc/18/78/76/349187876.db2.gz XBTMNZFMSSRLHP-ZCFIWIBFSA-N -1 1 295.195 1.559 20 0 CDADMM CCC1(NC(=O)c2csc(=NC3CC3)[n-]2)CCOCC1 ZINC000622470226 351182794 /nfs/dbraw/zinc/18/27/94/351182794.db2.gz LYKGFWAAEMSQOD-UHFFFAOYSA-N -1 1 295.408 1.828 20 0 CDADMM O=c1[n-]c([C@@H]2CCCCN2CCc2cccnc2)n[nH]1 ZINC000333652282 363079114 /nfs/dbraw/zinc/07/91/14/363079114.db2.gz FDRVQZLMVJSMPV-LBPRGKRZSA-N -1 1 273.340 1.675 20 0 CDADMM COc1ccc(CNC(=O)c2cncc([O-])c2)nc1 ZINC000355309227 366058574 /nfs/dbraw/zinc/05/85/74/366058574.db2.gz CPZQQCVHEPWEQG-UHFFFAOYSA-N -1 1 259.265 1.121 20 0 CDADMM COC[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)C1CC1 ZINC000152348719 188012045 /nfs/dbraw/zinc/01/20/45/188012045.db2.gz PQYZVBJDLBZQCU-JTQLQIEISA-N -1 1 291.319 1.668 20 0 CDADMM CN1CC[C@H](NC(=O)c2ccc(Cl)cc2[O-])C1=O ZINC000152556843 188028222 /nfs/dbraw/zinc/02/82/22/188028222.db2.gz NLRUSJUMEYFYNI-VIFPVBQESA-N -1 1 268.700 1.006 20 0 CDADMM CC1([C@H]2CCCN(C(=O)c3ncccc3[O-])C2)OCCO1 ZINC000154044583 188119607 /nfs/dbraw/zinc/11/96/07/188119607.db2.gz PXBNGSRHZZIVMI-NSHDSACASA-N -1 1 292.335 1.402 20 0 CDADMM CNC(=O)C(C)(C)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000154136260 188125500 /nfs/dbraw/zinc/12/55/00/188125500.db2.gz NVMOUXLKMJWZHK-UHFFFAOYSA-N -1 1 284.743 1.548 20 0 CDADMM CCc1nc(C)c(CNC(=O)c2ncccc2[O-])o1 ZINC000293903836 358475710 /nfs/dbraw/zinc/47/57/10/358475710.db2.gz FWVHUXIOKGVZMP-UHFFFAOYSA-N -1 1 261.281 1.576 20 0 CDADMM O=C(c1ncccc1[O-])N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000292454756 198295026 /nfs/dbraw/zinc/29/50/26/198295026.db2.gz LFQCYEUZZYWOLO-TZMCWYRMSA-N -1 1 288.347 1.961 20 0 CDADMM CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1ncccc1[O-] ZINC000155866845 188232680 /nfs/dbraw/zinc/23/26/80/188232680.db2.gz ABRIOUUQZUSLSR-WDEREUQCSA-N -1 1 264.325 1.410 20 0 CDADMM CS[C@H](C)C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000157959104 188348869 /nfs/dbraw/zinc/34/88/69/188348869.db2.gz GQMZUEYJYMMRGO-SSDOTTSWSA-N -1 1 281.349 1.995 20 0 CDADMM COc1ccc(C2(C(=O)Nc3nnn[n-]3)CCCC2)cc1 ZINC000265437261 363316067 /nfs/dbraw/zinc/31/60/67/363316067.db2.gz HZYQVXLDJMCKID-UHFFFAOYSA-N -1 1 287.323 1.659 20 0 CDADMM COc1ccc(C2(C(=O)Nc3nn[n-]n3)CCCC2)cc1 ZINC000265437261 363316073 /nfs/dbraw/zinc/31/60/73/363316073.db2.gz HZYQVXLDJMCKID-UHFFFAOYSA-N -1 1 287.323 1.659 20 0 CDADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)CSC)o1 ZINC000265485373 363329428 /nfs/dbraw/zinc/32/94/28/363329428.db2.gz SNBCNTSEHQBFRV-SSDOTTSWSA-N -1 1 293.366 1.096 20 0 CDADMM COC1(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)CCC1 ZINC000276867437 366191419 /nfs/dbraw/zinc/19/14/19/366191419.db2.gz QBCJBVUCMZRWHK-UHFFFAOYSA-N -1 1 278.234 1.721 20 0 CDADMM CCO[N-]C(=O)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000175969156 366216651 /nfs/dbraw/zinc/21/66/51/366216651.db2.gz QVZJXDFGYABIGX-ZDUSSCGKSA-N -1 1 266.316 1.858 20 0 CDADMM C[C@H]1CSc2ccccc2N1Cc1nc(=O)n(C)[n-]1 ZINC000335143488 291033734 /nfs/dbraw/zinc/03/37/34/291033734.db2.gz HCILOIIHSPBXOP-VIFPVBQESA-N -1 1 276.365 1.609 20 0 CDADMM CCCc1nnc([N-]C(=O)c2cncc(OC)n2)s1 ZINC000276929101 366224170 /nfs/dbraw/zinc/22/41/70/366224170.db2.gz YZGQGIKUQXLSDU-UHFFFAOYSA-N -1 1 279.325 1.542 20 0 CDADMM CC[C@H](NCc1nc(=O)[n-][nH]1)c1ccccc1OC(F)F ZINC000271748197 191303506 /nfs/dbraw/zinc/30/35/06/191303506.db2.gz KBLNZRLICVSQMD-VIFPVBQESA-N -1 1 298.293 1.940 20 0 CDADMM CC[C@@H](C(=O)NCC(=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000570211671 363436050 /nfs/dbraw/zinc/43/60/50/363436050.db2.gz JWWWDDDJPWXQLK-LBPRGKRZSA-N -1 1 264.325 1.098 20 0 CDADMM CC[C@@H](C(=O)NCC(=O)[O-])N(C)Cc1ccccc1 ZINC000570211671 363436052 /nfs/dbraw/zinc/43/60/52/363436052.db2.gz JWWWDDDJPWXQLK-LBPRGKRZSA-N -1 1 264.325 1.098 20 0 CDADMM CN1CC[C@H](NC(=O)c2cc3ccccc3cc2[O-])C1=O 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ZINC000020481789 599776846 /nfs/dbraw/zinc/77/68/46/599776846.db2.gz QDVZMTVDXACNQO-PWSUYJOCSA-N -1 1 281.356 1.738 20 0 CDADMM CN(C(=O)CN(CCC(=O)[O-])Cc1ccccc1)C1CC1 ZINC000692510728 599812329 /nfs/dbraw/zinc/81/23/29/599812329.db2.gz YEKAXYWHHGVKMF-UHFFFAOYSA-N -1 1 290.363 1.584 20 0 CDADMM CC[C@H](C)NC(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405419446 600310845 /nfs/dbraw/zinc/31/08/45/600310845.db2.gz RKMHNSYOEBDING-WDEREUQCSA-N -1 1 268.357 1.088 20 0 CDADMM Cc1noc(C)c1CN1CCN(CCCC(=O)[O-])CC1 ZINC000057874732 600317186 /nfs/dbraw/zinc/31/71/86/600317186.db2.gz JTWUHWCQAVUCIL-UHFFFAOYSA-N -1 1 281.356 1.274 20 0 CDADMM CC[C@](C)(NCC(=O)N[C@@H](C)c1ccc(F)cc1)C(=O)[O-] ZINC000094228897 600563136 /nfs/dbraw/zinc/56/31/36/600563136.db2.gz NOJGJQCNBZQHSK-BONVTDFDSA-N -1 1 296.342 1.846 20 0 CDADMM O=C([O-])c1ccc(OCCN2CCC(O)CC2)c(Cl)c1 ZINC000833321444 600818030 /nfs/dbraw/zinc/81/80/30/600818030.db2.gz SRNHJNZLAWGFFF-UHFFFAOYSA-N -1 1 299.754 1.874 20 0 CDADMM Cc1ncccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000091495239 600829345 /nfs/dbraw/zinc/82/93/45/600829345.db2.gz FCYMLMZJSXGUER-UHFFFAOYSA-N -1 1 292.316 1.889 20 0 CDADMM O=C([O-])c1n[nH]c2c1CN(C[C@H]1CCC=CO1)CC2 ZINC001602567582 1175299293 /nfs/dbraw/zinc/29/92/93/1175299293.db2.gz RYYIFHIEXWDLBA-SECBINFHSA-N -1 1 263.297 1.159 20 0 CDADMM CCCN1CCN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000111470247 600929068 /nfs/dbraw/zinc/92/90/68/600929068.db2.gz BNHCTMDFEUQSMU-QWHCGFSZSA-N -1 1 282.384 1.432 20 0 CDADMM C[C@](NCC(=O)NCc1ccc(F)cc1)(C(=O)[O-])C1CC1 ZINC000827727382 601034648 /nfs/dbraw/zinc/03/46/48/601034648.db2.gz IVWFJIPQZVVWAG-OAHLLOKOSA-N -1 1 294.326 1.285 20 0 CDADMM CC[C@@H](CO)N1CCN([C@@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000828890614 601034951 /nfs/dbraw/zinc/03/49/51/601034951.db2.gz JYQDKQRYQKBEBG-RYUDHWBXSA-N -1 1 296.367 1.427 20 0 CDADMM Cc1ccc(NC(=O)CN(C)C(C)C)cc1C(=O)[O-] ZINC000832944131 601109988 /nfs/dbraw/zinc/10/99/88/601109988.db2.gz XIWOVZPERJOIIF-UHFFFAOYSA-N -1 1 264.325 1.972 20 0 CDADMM Cc1cccc(CNC(=O)CN[C@@](C)(C(=O)[O-])C2CC2)c1 ZINC000832966940 601173945 /nfs/dbraw/zinc/17/39/45/601173945.db2.gz HGRHJWVPKCJWEM-MRXNPFEDSA-N -1 1 290.363 1.454 20 0 CDADMM C[C@@H]1C[C@H](C)CN(C(=O)CN[C@](C)(C(=O)[O-])C2CC2)C1 ZINC000828160629 601174426 /nfs/dbraw/zinc/17/44/26/601174426.db2.gz IDQTXHFBZRNIGT-RWSFTLGLSA-N -1 1 282.384 1.334 20 0 CDADMM CCC1CCC(NC(=O)[C@H]2CCCN2C)(C(=O)[O-])CC1 ZINC000829086886 601296377 /nfs/dbraw/zinc/29/63/77/601296377.db2.gz ZVHJLNZBPILSMX-MQYJIDSJSA-N -1 1 282.384 1.620 20 0 CDADMM C[C@H]1[C@@H](c2ccccc2)CCN1Cn1cnc(C(=O)[O-])n1 ZINC000828150505 601342555 /nfs/dbraw/zinc/34/25/55/601342555.db2.gz QQHMSJXWPOPIPN-AAEUAGOBSA-N -1 1 286.335 1.812 20 0 CDADMM O=C([O-])[C@@H]1CCN(CN2C(=O)[C@H]3CCCCC[C@H]32)C1 ZINC000819287349 601397848 /nfs/dbraw/zinc/39/78/48/601397848.db2.gz RLJFPVRJKVMMJW-GRYCIOLGSA-N -1 1 266.341 1.142 20 0 CDADMM C[C@@H](C(=O)N(CC(=O)[O-])Cc1ccccc1)N(C)C ZINC000832799478 601448857 /nfs/dbraw/zinc/44/88/57/601448857.db2.gz SYFLJAWXGAYRKT-NSHDSACASA-N -1 1 264.325 1.050 20 0 CDADMM Cc1ccc(NC(=O)CN2C[C@H](C)[C@H](C(=O)[O-])C2)c(C)c1 ZINC000111255371 601537460 /nfs/dbraw/zinc/53/74/60/601537460.db2.gz QOEOPTBORODHBJ-QWHCGFSZSA-N -1 1 290.363 1.894 20 0 CDADMM Cc1cc(CC(=O)OCc2cc(C(=O)[O-])c(C)o2)n[nH]1 ZINC000832882693 601598530 /nfs/dbraw/zinc/59/85/30/601598530.db2.gz AMGWATJRDDCTQU-UHFFFAOYSA-N -1 1 278.264 1.604 20 0 CDADMM C[C@@H](C(=O)[O-])[C@H](NCc1nccn1C)c1ccccc1 ZINC000826055165 601653570 /nfs/dbraw/zinc/65/35/70/601653570.db2.gz WKQYFLYRNVKSLA-RISCZKNCSA-N -1 1 273.336 1.972 20 0 CDADMM CCc1ccccc1NC(=O)CN[C@H](C(=O)[O-])C(C)C ZINC000830282419 601823627 /nfs/dbraw/zinc/82/36/27/601823627.db2.gz UYXOLIPOBIGREC-AWEZNQCLSA-N -1 1 278.352 1.886 20 0 CDADMM O=C([O-])c1ccc(CN2CCSC[C@H]2CCO)cc1F ZINC000689330595 601875370 /nfs/dbraw/zinc/87/53/70/601875370.db2.gz XAXLQXLOWIJYFQ-LLVKDONJSA-N -1 1 299.367 1.824 20 0 CDADMM CC(C)n1ccc(CN2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC000085167605 601944823 /nfs/dbraw/zinc/94/48/23/601944823.db2.gz KXRUIZGJLDJZQD-CYBMUJFWSA-N -1 1 251.330 1.761 20 0 CDADMM O=C([O-])c1ccc(Cl)cc1OC(=O)CCc1nc[nH]n1 ZINC000833104236 601973199 /nfs/dbraw/zinc/97/31/99/601973199.db2.gz FYTUJEZAJIGAMU-UHFFFAOYSA-N -1 1 295.682 1.695 20 0 CDADMM CN(C)C1(C(=O)Nc2cccc(CC(=O)[O-])c2)CCC1 ZINC000818375264 602078902 /nfs/dbraw/zinc/07/89/02/602078902.db2.gz YXBLXVAFQMHRRG-UHFFFAOYSA-N -1 1 276.336 1.737 20 0 CDADMM C[C@H](CC(=O)[O-])C(=O)N1CCN(C2CCCC2)CC1 ZINC000827264047 602087653 /nfs/dbraw/zinc/08/76/53/602087653.db2.gz VQXIYJBAOPDSGA-LLVKDONJSA-N -1 1 268.357 1.184 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000826514263 607544765 /nfs/dbraw/zinc/54/47/65/607544765.db2.gz MJNZKHIOTMJZEA-GHMZBOCLSA-N -1 1 286.339 1.125 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000826514263 607544768 /nfs/dbraw/zinc/54/47/68/607544768.db2.gz MJNZKHIOTMJZEA-GHMZBOCLSA-N -1 1 286.339 1.125 20 0 CDADMM CC[C@@H](C(=O)Nc1nc(C)c(C(=O)[O-])s1)N(C)C ZINC000828587358 602148028 /nfs/dbraw/zinc/14/80/28/602148028.db2.gz QLPPSAHRQFAZGK-ZETCQYMHSA-N -1 1 271.342 1.428 20 0 CDADMM C[C@H](CC(=O)[O-])C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000827296243 602178110 /nfs/dbraw/zinc/17/81/10/602178110.db2.gz RHYAVMXFUIFZLV-MRVPVSSYSA-N -1 1 293.298 1.472 20 0 CDADMM COc1coc(CN[C@H](C(=O)[O-])c2ccccc2)cc1=O ZINC000820881591 602202111 /nfs/dbraw/zinc/20/21/11/602202111.db2.gz IQUKWWHEQGWJNH-AWEZNQCLSA-N -1 1 289.287 1.564 20 0 CDADMM CCc1cc(=O)[n-]c(C[NH2+][C@@](C)(CC)CC(=O)[O-])n1 ZINC000830224925 602218512 /nfs/dbraw/zinc/21/85/12/602218512.db2.gz XWPSBTUROFUYLI-ZDUSSCGKSA-N -1 1 267.329 1.478 20 0 CDADMM CC(C)(CC(=O)[O-])NCc1nnnn1-c1ccccc1 ZINC000826542491 602259131 /nfs/dbraw/zinc/25/91/31/602259131.db2.gz ZCNHBOJXEBXOMQ-UHFFFAOYSA-N -1 1 275.312 1.005 20 0 CDADMM CC(C)N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824288938 607573005 /nfs/dbraw/zinc/57/30/05/607573005.db2.gz QPMISIGHNKQCMD-UHFFFAOYSA-N -1 1 299.331 1.035 20 0 CDADMM CC(C)N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824288938 607573007 /nfs/dbraw/zinc/57/30/07/607573007.db2.gz QPMISIGHNKQCMD-UHFFFAOYSA-N -1 1 299.331 1.035 20 0 CDADMM C/C=C(/C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825029482 607611345 /nfs/dbraw/zinc/61/13/45/607611345.db2.gz UERNYVKHGNDHLV-BAQGIRSFSA-N -1 1 259.269 1.271 20 0 CDADMM C/C=C(/C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825029482 607611346 /nfs/dbraw/zinc/61/13/46/607611346.db2.gz UERNYVKHGNDHLV-BAQGIRSFSA-N -1 1 259.269 1.271 20 0 CDADMM CC(C)C[C@H](O)C[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000866837806 617180613 /nfs/dbraw/zinc/18/06/13/617180613.db2.gz FCFHDENABJCZFB-QMMMGPOBSA-N -1 1 297.323 1.903 20 0 CDADMM Cc1cc(C[C@@H](C)NC(=O)N2CCC[C@@H](C(=O)[O-])C2)n[nH]1 ZINC000832884476 604306792 /nfs/dbraw/zinc/30/67/92/604306792.db2.gz ZUYOOFHSEZNPHL-MWLCHTKSSA-N -1 1 294.355 1.155 20 0 CDADMM CC(C)OC[C@H](C(=O)[O-])N(C)C[C@@H]1CCCCO1 ZINC000827015189 604398624 /nfs/dbraw/zinc/39/86/24/604398624.db2.gz ASTDPPYFBMIIMK-NWDGAFQWSA-N -1 1 259.346 1.366 20 0 CDADMM CCc1nc([C@H](C)NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)n[nH]1 ZINC000833674559 605024180 /nfs/dbraw/zinc/02/41/80/605024180.db2.gz TZCJPEIBZBTDBP-LPEHRKFASA-N -1 1 294.355 1.435 20 0 CDADMM CCc1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])s1 ZINC000037432558 605073034 /nfs/dbraw/zinc/07/30/34/605073034.db2.gz VWWHXAIISJNFFU-JTQLQIEISA-N -1 1 293.348 1.459 20 0 CDADMM CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000820348585 605132702 /nfs/dbraw/zinc/13/27/02/605132702.db2.gz ZKRIMCAWBUQKEF-NWDGAFQWSA-N -1 1 290.363 1.940 20 0 CDADMM CCN1C[C@@H](C)N(C(=O)c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000820348585 605132704 /nfs/dbraw/zinc/13/27/04/605132704.db2.gz ZKRIMCAWBUQKEF-NWDGAFQWSA-N -1 1 290.363 1.940 20 0 CDADMM O=C([O-])C1(CNC(=O)c2ccc(F)cc2O)CCOCC1 ZINC000236422650 605133237 /nfs/dbraw/zinc/13/32/37/605133237.db2.gz XHIZLTPWTOGIHM-UHFFFAOYSA-N -1 1 297.282 1.143 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCC2(C3CC3)CC2)n1 ZINC000826525005 607737081 /nfs/dbraw/zinc/73/70/81/607737081.db2.gz RTKIQVFVPOVBFL-UHFFFAOYSA-N -1 1 257.301 1.259 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCC2(C3CC3)CC2)n1 ZINC000826525005 607737082 /nfs/dbraw/zinc/73/70/82/607737082.db2.gz RTKIQVFVPOVBFL-UHFFFAOYSA-N -1 1 257.301 1.259 20 0 CDADMM C[C@H]1CN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CCN1CCC(=O)[O-] ZINC000833620978 605252731 /nfs/dbraw/zinc/25/27/31/605252731.db2.gz YTFSUIJZLBZIDA-RMRHIDDWSA-N -1 1 294.395 1.430 20 0 CDADMM CC(C)[C@H]1CN(C)CCN1C(=O)CCCC(=O)[O-] ZINC000833471993 605781844 /nfs/dbraw/zinc/78/18/44/605781844.db2.gz TXUNJEGSXIMAMU-LLVKDONJSA-N -1 1 256.346 1.040 20 0 CDADMM CNC(=O)[C@H](NCc1cc(C(=O)[O-])ccc1Cl)C(C)C ZINC000833699230 605845192 /nfs/dbraw/zinc/84/51/92/605845192.db2.gz JKGZCOCHAYZMQR-GFCCVEGCSA-N -1 1 298.770 1.898 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000823742483 606106369 /nfs/dbraw/zinc/10/63/69/606106369.db2.gz HCKQUSUKQWEYHO-QWRGUYRKSA-N -1 1 270.340 1.888 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000823742483 606106370 /nfs/dbraw/zinc/10/63/70/606106370.db2.gz HCKQUSUKQWEYHO-QWRGUYRKSA-N -1 1 270.340 1.888 20 0 CDADMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(C)C ZINC000820919909 606168269 /nfs/dbraw/zinc/16/82/69/606168269.db2.gz HFPGXNJICAFFFJ-VIFPVBQESA-N -1 1 292.347 1.156 20 0 CDADMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(C)C ZINC000820919909 606168270 /nfs/dbraw/zinc/16/82/70/606168270.db2.gz HFPGXNJICAFFFJ-VIFPVBQESA-N -1 1 292.347 1.156 20 0 CDADMM COC(=O)CCSc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821661456 606440089 /nfs/dbraw/zinc/44/00/89/606440089.db2.gz KDPHCGVCDUMFKU-UHFFFAOYSA-N -1 1 299.743 1.570 20 0 CDADMM COC(=O)CCSc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821661456 606440091 /nfs/dbraw/zinc/44/00/91/606440091.db2.gz KDPHCGVCDUMFKU-UHFFFAOYSA-N -1 1 299.743 1.570 20 0 CDADMM CCC[C@H]1C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821033448 606444323 /nfs/dbraw/zinc/44/43/23/606444323.db2.gz BGAGUDGTFIMMHH-GZMMTYOYSA-N -1 1 272.312 1.180 20 0 CDADMM CCC[C@H]1C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821033448 606444324 /nfs/dbraw/zinc/44/43/24/606444324.db2.gz BGAGUDGTFIMMHH-GZMMTYOYSA-N -1 1 272.312 1.180 20 0 CDADMM O=C(NCc1ccccn1)c1ccc(-c2nnn[n-]2)s1 ZINC000823261750 606488163 /nfs/dbraw/zinc/48/81/63/606488163.db2.gz ROOWLHQIGJUNEM-UHFFFAOYSA-N -1 1 286.320 1.253 20 0 CDADMM O=C(NCc1ccccn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823261750 606488165 /nfs/dbraw/zinc/48/81/65/606488165.db2.gz ROOWLHQIGJUNEM-UHFFFAOYSA-N -1 1 286.320 1.253 20 0 CDADMM C[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820711396 606516761 /nfs/dbraw/zinc/51/67/61/606516761.db2.gz YDAFIKQGNPOCIP-MRVPVSSYSA-N -1 1 277.353 1.800 20 0 CDADMM C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820711396 606516763 /nfs/dbraw/zinc/51/67/63/606516763.db2.gz YDAFIKQGNPOCIP-MRVPVSSYSA-N -1 1 277.353 1.800 20 0 CDADMM CSC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821956004 606568046 /nfs/dbraw/zinc/56/80/46/606568046.db2.gz DXKVWUZEJGOTIO-LURJTMIESA-N -1 1 283.382 1.410 20 0 CDADMM CSC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821956004 606568047 /nfs/dbraw/zinc/56/80/47/606568047.db2.gz DXKVWUZEJGOTIO-LURJTMIESA-N -1 1 283.382 1.410 20 0 CDADMM CC1(CNc2cccc(-c3nnn[n-]3)n2)CCOCC1 ZINC000820623673 606610667 /nfs/dbraw/zinc/61/06/67/606610667.db2.gz WEIMUASECUKDEA-UHFFFAOYSA-N -1 1 274.328 1.490 20 0 CDADMM CC1(CNc2cccc(-c3nn[n-]n3)n2)CCOCC1 ZINC000820623673 606610668 /nfs/dbraw/zinc/61/06/68/606610668.db2.gz WEIMUASECUKDEA-UHFFFAOYSA-N -1 1 274.328 1.490 20 0 CDADMM Cc1ccc(NC(=O)Cn2ccnc2-c2nnn[n-]2)c(C)c1 ZINC000822248339 606655167 /nfs/dbraw/zinc/65/51/67/606655167.db2.gz AZMZTGAHVQUWGD-UHFFFAOYSA-N -1 1 297.322 1.319 20 0 CDADMM Cc1ccc(NC(=O)Cn2ccnc2-c2nn[n-]n2)c(C)c1 ZINC000822248339 606655168 /nfs/dbraw/zinc/65/51/68/606655168.db2.gz AZMZTGAHVQUWGD-UHFFFAOYSA-N -1 1 297.322 1.319 20 0 CDADMM COc1ccnc(Oc2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826221676 607866784 /nfs/dbraw/zinc/86/67/84/607866784.db2.gz PQLDPAXWHOCSKX-UHFFFAOYSA-N -1 1 288.242 1.597 20 0 CDADMM COc1ccnc(Oc2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826221676 607866785 /nfs/dbraw/zinc/86/67/85/607866785.db2.gz PQLDPAXWHOCSKX-UHFFFAOYSA-N -1 1 288.242 1.597 20 0 CDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccncc1 ZINC000824723656 607959320 /nfs/dbraw/zinc/95/93/20/607959320.db2.gz TWEJMTVGMSSOGX-VIFPVBQESA-N -1 1 296.290 1.575 20 0 CDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccncc1 ZINC000824723656 607959321 /nfs/dbraw/zinc/95/93/21/607959321.db2.gz TWEJMTVGMSSOGX-VIFPVBQESA-N -1 1 296.290 1.575 20 0 CDADMM Oc1ccc(Sc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826511204 607989538 /nfs/dbraw/zinc/98/95/38/607989538.db2.gz GVHMPJDYSLXCKC-UHFFFAOYSA-N -1 1 272.293 1.514 20 0 CDADMM Oc1ccc(Sc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826511204 607989539 /nfs/dbraw/zinc/98/95/39/607989539.db2.gz GVHMPJDYSLXCKC-UHFFFAOYSA-N -1 1 272.293 1.514 20 0 CDADMM CCc1ccc(CN(C)c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000825712445 607987852 /nfs/dbraw/zinc/98/78/52/607987852.db2.gz SCEJRMRMLYQGSI-UHFFFAOYSA-N -1 1 295.350 1.856 20 0 CDADMM CCc1ccc(CN(C)c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000825712445 607987853 /nfs/dbraw/zinc/98/78/53/607987853.db2.gz SCEJRMRMLYQGSI-UHFFFAOYSA-N -1 1 295.350 1.856 20 0 CDADMM Clc1nsc(Nc2cn[nH]c2)c1-c1nnn[n-]1 ZINC000826354722 608175893 /nfs/dbraw/zinc/17/58/93/608175893.db2.gz RYVDDFOPDYTVJO-UHFFFAOYSA-N -1 1 268.693 1.443 20 0 CDADMM Clc1nsc(Nc2cn[nH]c2)c1-c1nn[n-]n1 ZINC000826354722 608175894 /nfs/dbraw/zinc/17/58/94/608175894.db2.gz RYVDDFOPDYTVJO-UHFFFAOYSA-N -1 1 268.693 1.443 20 0 CDADMM C[C@@H](O)[C@@H](C)Sc1snc(Cl)c1-c1nnn[n-]1 ZINC000824678522 608186918 /nfs/dbraw/zinc/18/69/18/608186918.db2.gz NHARQWLJNIEPHZ-QWWZWVQMSA-N -1 1 291.789 1.838 20 0 CDADMM C[C@@H](O)[C@@H](C)Sc1snc(Cl)c1-c1nn[n-]n1 ZINC000824678522 608186919 /nfs/dbraw/zinc/18/69/19/608186919.db2.gz NHARQWLJNIEPHZ-QWWZWVQMSA-N -1 1 291.789 1.838 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NCCC1CCCC1 ZINC000826514731 608395999 /nfs/dbraw/zinc/39/59/99/608395999.db2.gz BATKDPAIQBONAC-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NCCC1CCCC1 ZINC000826514731 608396000 /nfs/dbraw/zinc/39/60/00/608396000.db2.gz BATKDPAIQBONAC-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM c1ccc2c(c1)CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC000826523103 608415933 /nfs/dbraw/zinc/41/59/33/608415933.db2.gz ASPJJGUGRZOFFX-UHFFFAOYSA-N -1 1 265.280 1.177 20 0 CDADMM c1ccc2c(c1)CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC000826523103 608415936 /nfs/dbraw/zinc/41/59/36/608415936.db2.gz ASPJJGUGRZOFFX-UHFFFAOYSA-N -1 1 265.280 1.177 20 0 CDADMM OC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCCCC1 ZINC000826505634 608420446 /nfs/dbraw/zinc/42/04/46/608420446.db2.gz AZDVQIUILUTIRR-UHFFFAOYSA-N -1 1 289.343 1.154 20 0 CDADMM OC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCCCC1 ZINC000826505634 608420448 /nfs/dbraw/zinc/42/04/48/608420448.db2.gz AZDVQIUILUTIRR-UHFFFAOYSA-N -1 1 289.343 1.154 20 0 CDADMM C[C@@H]1CCC[C@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824929423 608423124 /nfs/dbraw/zinc/42/31/24/608423124.db2.gz XJZMGSLIABUKCO-ZJUUUORDSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1CCC[C@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824929423 608423126 /nfs/dbraw/zinc/42/31/26/608423126.db2.gz XJZMGSLIABUKCO-ZJUUUORDSA-N -1 1 273.344 1.672 20 0 CDADMM CC(C)CCOCCn1ccnc1-c1nnn[n-]1 ZINC000824249230 608887775 /nfs/dbraw/zinc/88/77/75/608887775.db2.gz LVRLIDRVDYMTSF-UHFFFAOYSA-N -1 1 250.306 1.126 20 0 CDADMM CC(C)CCOCCn1ccnc1-c1nn[n-]n1 ZINC000824249230 608887779 /nfs/dbraw/zinc/88/77/79/608887779.db2.gz LVRLIDRVDYMTSF-UHFFFAOYSA-N -1 1 250.306 1.126 20 0 CDADMM Cc1ncsc1CCn1ccnc1-c1nnn[n-]1 ZINC000826331561 608894910 /nfs/dbraw/zinc/89/49/10/608894910.db2.gz NXOBDUWBZCZRBP-UHFFFAOYSA-N -1 1 261.314 1.071 20 0 CDADMM Cc1ncsc1CCn1ccnc1-c1nn[n-]n1 ZINC000826331561 608894911 /nfs/dbraw/zinc/89/49/11/608894911.db2.gz NXOBDUWBZCZRBP-UHFFFAOYSA-N -1 1 261.314 1.071 20 0 CDADMM O=C(c1cc(F)ccc1[O-])N1CC[C@@H](O)[C@H](F)C1 ZINC000890691853 617279449 /nfs/dbraw/zinc/27/94/49/617279449.db2.gz MNRBANKOLAZHTE-MWLCHTKSSA-N -1 1 257.236 1.076 20 0 CDADMM CC(C)(C)N1C[C@@H](C(=O)[N-]OC/C=C/Cl)CC1=O ZINC000812404483 617303884 /nfs/dbraw/zinc/30/38/84/617303884.db2.gz DWBTVVGQXPIZGJ-MOVJSRMASA-N -1 1 274.748 1.434 20 0 CDADMM O=C(N[C@@H]1COC[C@@H]1C1CC1)c1c(F)ccc([O-])c1F ZINC000891047938 617356376 /nfs/dbraw/zinc/35/63/76/617356376.db2.gz UHDBYXDEGIIIRT-PSASIEDQSA-N -1 1 283.274 1.825 20 0 CDADMM CC(C)[C@H](F)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891618555 617507177 /nfs/dbraw/zinc/50/71/77/617507177.db2.gz QEBLHHFHNAYLDW-JTQLQIEISA-N -1 1 267.304 1.994 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccccn1 ZINC000891629841 617512943 /nfs/dbraw/zinc/51/29/43/617512943.db2.gz DJHLJLCCQPKPNF-UHFFFAOYSA-N -1 1 270.292 1.708 20 0 CDADMM COCc1nc(N[C@H]2c3ccccc3C[C@@H]2O)cc(=O)[n-]1 ZINC000891830511 617630085 /nfs/dbraw/zinc/63/00/85/617630085.db2.gz YZNFALOBRLABOE-NHYWBVRUSA-N -1 1 287.319 1.399 20 0 CDADMM COCc1nc(N[C@@H](CO)C2CCCCC2)cc(=O)[n-]1 ZINC000892761527 617709865 /nfs/dbraw/zinc/70/98/65/617709865.db2.gz UKANTMPRTXZOAF-NSHDSACASA-N -1 1 281.356 1.682 20 0 CDADMM CC[S@](C)(=O)=NC([O-])=C1C[C@H](c2ccccc2)OC1=O ZINC000925820878 617785930 /nfs/dbraw/zinc/78/59/30/617785930.db2.gz MWBYPVVYHTVSEH-ZBUHCNDUSA-N -1 1 295.360 1.935 20 0 CDADMM CC[S@](C)(=O)=NC(=O)c1ccc([O-])c(OC)c1 ZINC000925834319 617861991 /nfs/dbraw/zinc/86/19/91/617861991.db2.gz NBXRPKDVJKPVEY-KRWDZBQOSA-N -1 1 257.311 1.659 20 0 CDADMM CCC(O)(CC)CCNc1cc(=O)[n-]c(COC)n1 ZINC000893426185 617871152 /nfs/dbraw/zinc/87/11/52/617871152.db2.gz CQXMAKDOPAOMGJ-UHFFFAOYSA-N -1 1 269.345 1.682 20 0 CDADMM COCc1nc(CNc2cc(=O)[n-]c(COC)n2)cs1 ZINC000893912953 618170739 /nfs/dbraw/zinc/17/07/39/618170739.db2.gz LUMSNCLJKNJBKX-UHFFFAOYSA-N -1 1 296.352 1.544 20 0 CDADMM CCC[C@@H](C)C(=O)NCCNc1cc(=O)[n-]c(COC)n1 ZINC000893972933 618230612 /nfs/dbraw/zinc/23/06/12/618230612.db2.gz IPXOUKWFEUQFMA-SNVBAGLBSA-N -1 1 296.371 1.293 20 0 CDADMM O=C([O-])CN(Cc1cc(C(F)(F)F)n[nH]1)C1CC1 ZINC000901972068 618413776 /nfs/dbraw/zinc/41/37/76/618413776.db2.gz QXFARQUTGRITAR-UHFFFAOYSA-N -1 1 263.219 1.478 20 0 CDADMM O=C([O-])C[C@H]1CCCN1Cc1cn2cccc(F)c2n1 ZINC000902007982 618484848 /nfs/dbraw/zinc/48/48/48/618484848.db2.gz QVTBBEZBCPRWHB-LLVKDONJSA-N -1 1 277.299 1.913 20 0 CDADMM CC(C)OCCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820146052 618511978 /nfs/dbraw/zinc/51/19/78/618511978.db2.gz JJTRQWAGHCMAMV-UHFFFAOYSA-N -1 1 282.325 1.510 20 0 CDADMM CC(C)OCCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820146052 618511987 /nfs/dbraw/zinc/51/19/87/618511987.db2.gz JJTRQWAGHCMAMV-UHFFFAOYSA-N -1 1 282.325 1.510 20 0 CDADMM CCN(C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21)[C@H](C)C(=O)[O-] ZINC000902047319 618515778 /nfs/dbraw/zinc/51/57/78/618515778.db2.gz PEQPEZOQQSLZOO-IQJOONFLSA-N -1 1 279.340 1.397 20 0 CDADMM C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)N(CC(=O)[O-])C1CCC1 ZINC000902033143 618531730 /nfs/dbraw/zinc/53/17/30/618531730.db2.gz DGESIANCAAWMDJ-XPTSAGLGSA-N -1 1 291.351 1.541 20 0 CDADMM Cc1nc2c(cccc2C(=O)N2CCC[C@@]2(C)C(=O)[O-])[nH]1 ZINC000902106972 618565299 /nfs/dbraw/zinc/56/52/99/618565299.db2.gz KNPYGKGGLAKUFG-HNNXBMFYSA-N -1 1 287.319 1.951 20 0 CDADMM CN(C)CC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC000910934866 618584995 /nfs/dbraw/zinc/58/49/95/618584995.db2.gz GDTIEONZQAICBS-HNNXBMFYSA-N -1 1 286.331 1.643 20 0 CDADMM O=C(CCc1nn[n-]n1)N1COCC[C@@H]1c1ccccc1 ZINC000888197909 620818992 /nfs/dbraw/zinc/81/89/92/620818992.db2.gz WGICNDUWZAYWJD-GFCCVEGCSA-N -1 1 287.323 1.080 20 0 CDADMM C[C@H]1CN(Cc2cn(-c3ccccc3)nn2)C[C@H]1C(=O)[O-] ZINC000828461530 618621552 /nfs/dbraw/zinc/62/15/52/618621552.db2.gz ACEUHUCJZGYIKI-SMDDNHRTSA-N -1 1 286.335 1.420 20 0 CDADMM COCc1nc(NC[C@H](CC2CC2)C(=O)OC)cc(=O)[n-]1 ZINC000894389866 618844998 /nfs/dbraw/zinc/84/49/98/618844998.db2.gz CMPTYDXDBQPLFE-JTQLQIEISA-N -1 1 295.339 1.330 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1coc2ccccc12 ZINC000737770491 619077071 /nfs/dbraw/zinc/07/70/71/619077071.db2.gz JMSXGCOHOSHHQL-UHFFFAOYSA-N -1 1 295.262 1.080 20 0 CDADMM CN1CCCC[C@H]1C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000909531865 619976205 /nfs/dbraw/zinc/97/62/05/619976205.db2.gz WKWSTKCBRMFYOX-SLEUVZQESA-N -1 1 282.384 1.620 20 0 CDADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC[C@@H]1CO ZINC000889159575 620823527 /nfs/dbraw/zinc/82/35/27/620823527.db2.gz JPLQLVCIIXWTOM-SNVBAGLBSA-N -1 1 273.288 1.458 20 0 CDADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1C[C@@H]2C[C@]2(CO)C1 ZINC000897502016 620878545 /nfs/dbraw/zinc/87/85/45/620878545.db2.gz GBODLIDAJWCAFJ-APPDUMDISA-N -1 1 299.326 1.705 20 0 CDADMM CO[C@H](C)C(=O)Nc1cc(C(=O)OC(C)(C)C)[nH]n1 ZINC000898097081 621334484 /nfs/dbraw/zinc/33/44/84/621334484.db2.gz DWEZOAPCDMIIRX-SSDOTTSWSA-N -1 1 269.301 1.338 20 0 CDADMM CCCC[C@@H](C)C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898755364 621860452 /nfs/dbraw/zinc/86/04/52/621860452.db2.gz PZEAMCNGTLUUPX-MRVPVSSYSA-N -1 1 253.302 1.330 20 0 CDADMM O=C(NCc1nc([O-])cc(=O)[nH]1)[C@@H](c1ccccc1)C1CC1 ZINC000898756999 621861414 /nfs/dbraw/zinc/86/14/14/621861414.db2.gz NOUSKYYIAPSFLZ-HNNXBMFYSA-N -1 1 299.330 1.698 20 0 CDADMM O=C(Cc1ccc2c(c1)CCC2)NCc1nc([O-])cc(=O)[nH]1 ZINC000898753864 621865172 /nfs/dbraw/zinc/86/51/72/621865172.db2.gz SASRSMQDPZQPFV-UHFFFAOYSA-N -1 1 299.330 1.235 20 0 CDADMM O=C(NCc1nc([O-])cc(=O)[nH]1)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000898754008 621865457 /nfs/dbraw/zinc/86/54/57/621865457.db2.gz DFPFBTORRDKODD-MSRIBSCDSA-N -1 1 291.351 1.720 20 0 CDADMM COCCC(C)(C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900926864 623680738 /nfs/dbraw/zinc/68/07/38/623680738.db2.gz IVDOTBRAWTYVJV-UHFFFAOYSA-N -1 1 279.340 1.605 20 0 CDADMM O=C([O-])c1ccc(N[C@@H]2CCCc3cn[nH]c32)nc1 ZINC000900988389 623769179 /nfs/dbraw/zinc/76/91/79/623769179.db2.gz LWUMNXCPDUGBGK-SNVBAGLBSA-N -1 1 258.281 1.992 20 0 CDADMM CN(Cc1ccc(/C=C\C(=O)[O-])o1)[C@@H]1CCOC1 ZINC000901430538 624242574 /nfs/dbraw/zinc/24/25/74/624242574.db2.gz MEHCUOSECAYSTO-UMCURTJPSA-N -1 1 251.282 1.598 20 0 CDADMM CC[C@H](C)[C@H](NC(=O)c1[nH]nc2c1C[C@H](C)CC2)C(=O)[O-] ZINC000901476328 624264419 /nfs/dbraw/zinc/26/44/19/624264419.db2.gz AUNHTIMWXFTOLG-PTRXPTGYSA-N -1 1 293.367 1.764 20 0 CDADMM CC(C)C[C@H](NC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C)C(=O)[O-] ZINC000901456072 624274223 /nfs/dbraw/zinc/27/42/23/624274223.db2.gz BUOTUXUJIPADGS-ICCXJUOJSA-N -1 1 293.367 1.691 20 0 CDADMM C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC000901459305 624277081 /nfs/dbraw/zinc/27/70/81/624277081.db2.gz JYFMXEDDKGDWHU-GDPRMGEGSA-N -1 1 277.324 1.151 20 0 CDADMM COCc1ccc(CN2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000901514666 624329711 /nfs/dbraw/zinc/32/97/11/624329711.db2.gz HLLSBNRZWVZCFX-AWEZNQCLSA-N -1 1 267.300 1.832 20 0 CDADMM CC[C@H](NC(=O)c1[nH]nc2c1C[C@H](C)CC2)C(=O)[O-] ZINC000901704339 624403033 /nfs/dbraw/zinc/40/30/33/624403033.db2.gz RAQKMGIYBMZVHV-APPZFPTMSA-N -1 1 265.313 1.128 20 0 CDADMM C[C@H]1CCc2n[nH]c(C(=O)NCCC(C)(C)C(=O)[O-])c2C1 ZINC000901689136 624407437 /nfs/dbraw/zinc/40/74/37/624407437.db2.gz AQXWDIYEFRVOSD-VIFPVBQESA-N -1 1 293.367 1.765 20 0 CDADMM COc1nccnc1CN1CCC[C@@](C)(C(=O)[O-])C1 ZINC000901701046 624415761 /nfs/dbraw/zinc/41/57/61/624415761.db2.gz WDFZERMPBQJHEQ-CYBMUJFWSA-N -1 1 265.313 1.172 20 0 CDADMM COCCS(=O)(=O)[N-]c1nn(C(C)C)cc1Cl ZINC000901714024 624426974 /nfs/dbraw/zinc/42/69/74/624426974.db2.gz MASVKHUIVHZCLZ-UHFFFAOYSA-N -1 1 281.765 1.506 20 0 CDADMM COc1cccc([C@H](NCc2cnn(C)c2C)C(=O)[O-])c1 ZINC000901756687 624439129 /nfs/dbraw/zinc/43/91/29/624439129.db2.gz ZIZIINAQSIYNPK-AWEZNQCLSA-N -1 1 289.335 1.653 20 0 CDADMM C[C@@]1(NCc2ccc(/C=C/C(=O)[O-])o2)CCOC1 ZINC000902426002 624795150 /nfs/dbraw/zinc/79/51/50/624795150.db2.gz SOSZPVTZOJILCT-MUBLQREKSA-N -1 1 251.282 1.646 20 0 CDADMM CC1(C)OC[C@H]2C[C@]21NCc1cc(C(=O)[O-])co1 ZINC000902493352 624867357 /nfs/dbraw/zinc/86/73/57/624867357.db2.gz YQGODEJCKWKUJO-RNCFNFMXSA-N -1 1 251.282 1.635 20 0 CDADMM CC(C)(CCN1CCc2ccccc2[C@@H]1C(N)=O)C(=O)[O-] ZINC000902520018 624922849 /nfs/dbraw/zinc/92/28/49/624922849.db2.gz UBKVLTJRLHZLDW-CYBMUJFWSA-N -1 1 290.363 1.572 20 0 CDADMM C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCCC[C@@H]2C(=O)[O-])C1 ZINC000902521651 624923755 /nfs/dbraw/zinc/92/37/55/624923755.db2.gz VEDIAIRSMCMTFS-MVWJERBFSA-N -1 1 291.351 1.541 20 0 CDADMM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(C(=O)[O-])s1 ZINC000903684699 626053638 /nfs/dbraw/zinc/05/36/38/626053638.db2.gz GHFHOPLALKVYDT-XRNSZHNASA-N -1 1 294.376 1.532 20 0 CDADMM C[C@@H](CO)CN1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903920082 626146673 /nfs/dbraw/zinc/14/66/73/626146673.db2.gz AEIYWEVPINKJHR-SNVBAGLBSA-N -1 1 265.309 1.208 20 0 CDADMM CCc1nnc(C[N@H+]2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]2C)[nH]1 ZINC000903954007 626165982 /nfs/dbraw/zinc/16/59/82/626165982.db2.gz WRCKAMAFPMBAOT-WTBMIXGQSA-N -1 1 280.372 1.687 20 0 CDADMM CCc1nnc(CN2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]2C)[nH]1 ZINC000903954007 626165983 /nfs/dbraw/zinc/16/59/83/626165983.db2.gz WRCKAMAFPMBAOT-WTBMIXGQSA-N -1 1 280.372 1.687 20 0 CDADMM Cc1c([C@@H](NCc2cc(F)cc(F)c2)C(=O)[O-])cnn1C ZINC000904048405 626185636 /nfs/dbraw/zinc/18/56/36/626185636.db2.gz QTRRERJRVPSKNK-CYBMUJFWSA-N -1 1 295.289 1.922 20 0 CDADMM O=C([O-])N[C@@H]1C[C@H](N[C@@H]2CCn3ccnc32)C12CCC2 ZINC000904244469 626227916 /nfs/dbraw/zinc/22/79/16/626227916.db2.gz OZUCSNWIVLYELL-OUAUKWLOSA-N -1 1 276.340 1.496 20 0 CDADMM Cn1ncc(Cl)c1CN1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000904430312 626291674 /nfs/dbraw/zinc/29/16/74/626291674.db2.gz RFMHJRBDYYVQRL-VHSXEESVSA-N -1 1 283.759 1.616 20 0 CDADMM COc1cnc(C=Cc2cn(C(C)C)nn2)[n-]c1=O ZINC000905077463 626392380 /nfs/dbraw/zinc/39/23/80/626392380.db2.gz WZVWTSJHKJYRTH-PLNGDYQASA-N -1 1 261.285 1.534 20 0 CDADMM Cc1nc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)n[nH]1 ZINC000905386278 626781118 /nfs/dbraw/zinc/78/11/18/626781118.db2.gz ALLRJWKURGTZSW-CYBMUJFWSA-N -1 1 274.324 1.645 20 0 CDADMM C[C@@H](CC(=O)N1CCSC[C@H]1c1nn[n-]n1)C1CC1 ZINC000907473361 627673509 /nfs/dbraw/zinc/67/35/09/627673509.db2.gz GNYGDRMAFNAYCG-WPRPVWTQSA-N -1 1 281.385 1.252 20 0 CDADMM 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/nfs/dbraw/zinc/57/48/53/1163574853.db2.gz LEKQHWBLZWIPGW-MRVPVSSYSA-N -1 1 291.359 1.529 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCC2CC2)c1 ZINC001605556655 1163608421 /nfs/dbraw/zinc/60/84/21/1163608421.db2.gz BHBATKSVWJSNGO-UHFFFAOYSA-N -1 1 258.329 1.806 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCC2CC2)c1 ZINC001605556655 1163608424 /nfs/dbraw/zinc/60/84/24/1163608424.db2.gz BHBATKSVWJSNGO-UHFFFAOYSA-N -1 1 258.329 1.806 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](CO)c2ccccc2)n1 ZINC001605583153 1163614783 /nfs/dbraw/zinc/61/47/83/1163614783.db2.gz HKAPSMJLIWXRJO-GFCCVEGCSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](CO)c2ccccc2)n1 ZINC001605583153 1163614785 /nfs/dbraw/zinc/61/47/85/1163614785.db2.gz HKAPSMJLIWXRJO-GFCCVEGCSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)oc1C ZINC001605628453 1163628878 /nfs/dbraw/zinc/62/88/78/1163628878.db2.gz ROXZFKHDINPXDT-UHFFFAOYSA-N -1 1 284.279 1.724 20 0 CDADMM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)oc1C ZINC001605628453 1163628882 /nfs/dbraw/zinc/62/88/82/1163628882.db2.gz ROXZFKHDINPXDT-UHFFFAOYSA-N -1 1 284.279 1.724 20 0 CDADMM Cc1cc(N2CCc3ncsc3C2)cc(-c2nnn[n-]2)n1 ZINC001605700387 1163644175 /nfs/dbraw/zinc/64/41/75/1163644175.db2.gz ZPFMBEPSXHEWRP-UHFFFAOYSA-N -1 1 299.363 1.589 20 0 CDADMM Cc1cc(N2CCc3ncsc3C2)cc(-c2nn[n-]n2)n1 ZINC001605700387 1163644179 /nfs/dbraw/zinc/64/41/79/1163644179.db2.gz ZPFMBEPSXHEWRP-UHFFFAOYSA-N -1 1 299.363 1.589 20 0 CDADMM Cc1cc(N[C@H]2CO[C@@H](C)C2)nc(-c2nnn[n-]2)c1 ZINC001605724419 1163652412 /nfs/dbraw/zinc/65/24/12/1163652412.db2.gz WVURPKXPBAJICW-DTWKUNHWSA-N -1 1 260.301 1.159 20 0 CDADMM Cc1cc(N[C@H]2CO[C@@H](C)C2)nc(-c2nn[n-]n2)c1 ZINC001605724419 1163652414 /nfs/dbraw/zinc/65/24/14/1163652414.db2.gz WVURPKXPBAJICW-DTWKUNHWSA-N -1 1 260.301 1.159 20 0 CDADMM Cc1ccc(N2CC[C@@H]3COC[C@@H]3C2)nc1-c1nnn[n-]1 ZINC001605865283 1163696737 /nfs/dbraw/zinc/69/67/37/1163696737.db2.gz UYJDFOSILJQQHA-MNOVXSKESA-N -1 1 286.339 1.043 20 0 CDADMM Cc1ccc(N2CC[C@@H]3COC[C@@H]3C2)nc1-c1nn[n-]n1 ZINC001605865283 1163696742 /nfs/dbraw/zinc/69/67/42/1163696742.db2.gz UYJDFOSILJQQHA-MNOVXSKESA-N -1 1 286.339 1.043 20 0 CDADMM Cc1cccc(CCNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001605913321 1163711768 /nfs/dbraw/zinc/71/17/68/1163711768.db2.gz GIRXNIRXUVDVTD-UHFFFAOYSA-N -1 1 281.323 1.042 20 0 CDADMM CCn1cccc(CN[C@@H](C(=O)[O-])c2cccnc2)c1=O ZINC001605927341 1163716171 /nfs/dbraw/zinc/71/61/71/1163716171.db2.gz HGZMSVNSBHGHAP-CYBMUJFWSA-N -1 1 287.319 1.179 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(Cc2cnc(C3CC3)o2)c1C ZINC001606020920 1163748592 /nfs/dbraw/zinc/74/85/92/1163748592.db2.gz FGYZGRYTIKMURY-UHFFFAOYSA-N -1 1 285.311 1.594 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2cnc(C3CC3)o2)c1C ZINC001606020920 1163748599 /nfs/dbraw/zinc/74/85/99/1163748599.db2.gz FGYZGRYTIKMURY-UHFFFAOYSA-N -1 1 285.311 1.594 20 0 CDADMM Cc1nc([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)o2)no1 ZINC001606034752 1163752813 /nfs/dbraw/zinc/75/28/13/1163752813.db2.gz GHBNSMLCTHEEHV-RXMQYKEDSA-N -1 1 290.239 1.069 20 0 CDADMM Cc1nc(CCOc2cnc(-c3nn[n-]n3)nc2)cs1 ZINC001606042429 1163755005 /nfs/dbraw/zinc/75/50/05/1163755005.db2.gz WPFLPTRXEQUMPC-UHFFFAOYSA-N -1 1 289.324 1.043 20 0 CDADMM CN(C)c1ncc(CN(CC(=O)[O-])C2CCOCC2)s1 ZINC001606068017 1163762343 /nfs/dbraw/zinc/76/23/43/1163762343.db2.gz CCDDEPDKPVUYNU-UHFFFAOYSA-N -1 1 299.396 1.275 20 0 CDADMM FC1(F)CCN(Cc2csc(-c3nn[n-]n3)c2)C1 ZINC001606299270 1163844054 /nfs/dbraw/zinc/84/40/54/1163844054.db2.gz BBTVIBBNKSQMSK-UHFFFAOYSA-N -1 1 271.296 1.769 20 0 CDADMM FCC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001606302273 1163849770 /nfs/dbraw/zinc/84/97/70/1163849770.db2.gz BCKFCKOFROOUOV-VIFPVBQESA-N -1 1 281.291 1.020 20 0 CDADMM FCC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001606302273 1163849778 /nfs/dbraw/zinc/84/97/78/1163849778.db2.gz BCKFCKOFROOUOV-VIFPVBQESA-N -1 1 281.291 1.020 20 0 CDADMM Fc1ncccc1CNCc1ccc(-c2nnn[n-]2)o1 ZINC001606335592 1163866179 /nfs/dbraw/zinc/86/61/79/1163866179.db2.gz AZYMTTMDYZQWPL-UHFFFAOYSA-N -1 1 274.259 1.284 20 0 CDADMM Fc1ncccc1CNCc1ccc(-c2nn[n-]n2)o1 ZINC001606335592 1163866184 /nfs/dbraw/zinc/86/61/84/1163866184.db2.gz AZYMTTMDYZQWPL-UHFFFAOYSA-N -1 1 274.259 1.284 20 0 CDADMM COC(=O)[C@H]1CCCCCN1C/C(C)=C\C(=O)[O-] ZINC001606403321 1163889721 /nfs/dbraw/zinc/88/97/21/1163889721.db2.gz HOIJJFODVDVVHZ-HIJJYWJESA-N -1 1 255.314 1.435 20 0 CDADMM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606498998 1163916773 /nfs/dbraw/zinc/91/67/73/1163916773.db2.gz VAWSQYQUTQYCNC-UTLUCORTSA-N -1 1 284.323 1.636 20 0 CDADMM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606498998 1163916778 /nfs/dbraw/zinc/91/67/78/1163916778.db2.gz VAWSQYQUTQYCNC-UTLUCORTSA-N -1 1 284.323 1.636 20 0 CDADMM COC(=O)c1cc(CN[C@]2(CC(=O)[O-])CCOC2)oc1C ZINC001606544102 1163928386 /nfs/dbraw/zinc/92/83/86/1163928386.db2.gz RHUNAPIZIDYTRI-AWEZNQCLSA-N -1 1 297.307 1.098 20 0 CDADMM CO[C@H](C)CS(=O)(=O)Nc1cc(C(=O)[O-])cs1 ZINC001606666099 1163952409 /nfs/dbraw/zinc/95/24/09/1163952409.db2.gz FRHVHRYPUJEYDK-ZCFIWIBFSA-N -1 1 279.339 1.223 20 0 CDADMM O=C(NCC1=CCCCC1)c1coc(-c2nnn[n-]2)c1 ZINC001606716019 1163970404 /nfs/dbraw/zinc/97/04/04/1163970404.db2.gz HVULOPXQDGNBFV-UHFFFAOYSA-N -1 1 273.296 1.690 20 0 CDADMM O=C(NCC1=CCCCC1)c1coc(-c2nn[n-]n2)c1 ZINC001606716019 1163970408 /nfs/dbraw/zinc/97/04/08/1163970408.db2.gz HVULOPXQDGNBFV-UHFFFAOYSA-N -1 1 273.296 1.690 20 0 CDADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CC(F)C1 ZINC001606994064 1164054512 /nfs/dbraw/zinc/05/45/12/1164054512.db2.gz MILDXNYPZYBAFX-UHFFFAOYSA-N -1 1 286.270 1.142 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC[C@@H](C2CC2)C1 ZINC001607025918 1164061992 /nfs/dbraw/zinc/06/19/92/1164061992.db2.gz PQQAGZFBURKEIV-GFCCVEGCSA-N -1 1 298.350 1.524 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC[C@@H](C2CC2)C1 ZINC001607025918 1164061995 /nfs/dbraw/zinc/06/19/95/1164061995.db2.gz PQQAGZFBURKEIV-GFCCVEGCSA-N -1 1 298.350 1.524 20 0 CDADMM OC1CCC(CSc2cccnc2-c2nnn[n-]2)CC1 ZINC001607101593 1164084142 /nfs/dbraw/zinc/08/41/42/1164084142.db2.gz QUIRJMXIPDPAKF-UHFFFAOYSA-N -1 1 291.380 1.905 20 0 CDADMM OC1CCC(CSc2cccnc2-c2nn[n-]n2)CC1 ZINC001607101593 1164084149 /nfs/dbraw/zinc/08/41/49/1164084149.db2.gz QUIRJMXIPDPAKF-UHFFFAOYSA-N -1 1 291.380 1.905 20 0 CDADMM c1[nH]nc(NCc2cccc3c2OCC3)c1-c1nnn[n-]1 ZINC001607123146 1164106578 /nfs/dbraw/zinc/10/65/78/1164106578.db2.gz FABCNTFNRVSGSL-UHFFFAOYSA-N -1 1 283.295 1.137 20 0 CDADMM c1[nH]nc(NCc2cccc3c2OCC3)c1-c1nn[n-]n1 ZINC001607123146 1164106580 /nfs/dbraw/zinc/10/65/80/1164106580.db2.gz FABCNTFNRVSGSL-UHFFFAOYSA-N -1 1 283.295 1.137 20 0 CDADMM c1ccc2c(CNc3nccnc3-c3nnn[n-]3)noc2c1 ZINC001607131773 1164111242 /nfs/dbraw/zinc/11/12/42/1164111242.db2.gz OGLNUNRRZRHPRZ-UHFFFAOYSA-N -1 1 294.278 1.410 20 0 CDADMM c1ccc2c(CNc3nccnc3-c3nn[n-]n3)noc2c1 ZINC001607131773 1164111246 /nfs/dbraw/zinc/11/12/46/1164111246.db2.gz OGLNUNRRZRHPRZ-UHFFFAOYSA-N -1 1 294.278 1.410 20 0 CDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CC2(CC2)C1 ZINC001607131559 1164111377 /nfs/dbraw/zinc/11/13/77/1164111377.db2.gz HVGZDNMBTXSTBS-UHFFFAOYSA-N -1 1 279.307 1.410 20 0 CDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CC2(CC2)C1 ZINC001607131559 1164111379 /nfs/dbraw/zinc/11/13/79/1164111379.db2.gz HVGZDNMBTXSTBS-UHFFFAOYSA-N -1 1 279.307 1.410 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCC[C@@H]2CCSC2)c1 ZINC001607133183 1164112006 /nfs/dbraw/zinc/11/20/06/1164112006.db2.gz AESCVJBYHVDCJN-SECBINFHSA-N -1 1 276.369 1.817 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCC[C@@H]2CCSC2)c1 ZINC001607133183 1164112008 /nfs/dbraw/zinc/11/20/08/1164112008.db2.gz AESCVJBYHVDCJN-SECBINFHSA-N -1 1 276.369 1.817 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCc2nc3c(s2)CCC3)c1 ZINC001607133585 1164112892 /nfs/dbraw/zinc/11/28/92/1164112892.db2.gz KJMCNRARFHNVMM-UHFFFAOYSA-N -1 1 299.363 1.819 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCc2nc3c(s2)CCC3)c1 ZINC001607133585 1164112897 /nfs/dbraw/zinc/11/28/97/1164112897.db2.gz KJMCNRARFHNVMM-UHFFFAOYSA-N -1 1 299.363 1.819 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1N[C@H]1CC12CCCCC2 ZINC001607136928 1164116025 /nfs/dbraw/zinc/11/60/25/1164116025.db2.gz VOFLUWOJHDRUAK-JTQLQIEISA-N -1 1 271.328 1.791 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1N[C@H]1CC12CCCCC2 ZINC001607136928 1164116030 /nfs/dbraw/zinc/11/60/30/1164116030.db2.gz VOFLUWOJHDRUAK-JTQLQIEISA-N -1 1 271.328 1.791 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CCC(C3CCC3)CC2)n1 ZINC001607136526 1164116065 /nfs/dbraw/zinc/11/60/65/1164116065.db2.gz IIFHCPGMNVBPKN-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CCC(C3CCC3)CC2)n1 ZINC001607136526 1164116071 /nfs/dbraw/zinc/11/60/71/1164116071.db2.gz IIFHCPGMNVBPKN-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM COc1ccc(CN2CCC([C@H](O)C(=O)[O-])CC2)c(F)c1 ZINC001607253043 1164136988 /nfs/dbraw/zinc/13/69/88/1164136988.db2.gz JKXXZBDKKMOFJN-AWEZNQCLSA-N -1 1 297.326 1.492 20 0 CDADMM COc1ccc(CN[C@H](CF)C(=O)[O-])cc1Cl ZINC001607259614 1164138298 /nfs/dbraw/zinc/13/82/98/1164138298.db2.gz XTEKPTLGHOGTCE-SECBINFHSA-N -1 1 261.680 1.861 20 0 CDADMM Cc1ccc(CN2CC[C@]3(CC(C(=O)[O-])=NO3)C2)s1 ZINC001607780864 1164292992 /nfs/dbraw/zinc/29/29/92/1164292992.db2.gz OWBREHZMBWOZAB-ZDUSSCGKSA-N -1 1 280.349 1.862 20 0 CDADMM Cc1ccc([C@H](O)CNCc2ncc(C(=O)[O-])s2)cc1 ZINC001607825459 1164308344 /nfs/dbraw/zinc/30/83/44/1164308344.db2.gz UIUQKXGVNCFNRN-LLVKDONJSA-N -1 1 292.360 1.973 20 0 CDADMM Cn1nncc1C[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001608168677 1164432336 /nfs/dbraw/zinc/43/23/36/1164432336.db2.gz XOJMXPOBHZCVMS-ZIAGYGMSSA-N -1 1 286.335 1.115 20 0 CDADMM Nc1cc(CCCCNc2cncc(C(=O)[O-])n2)ccn1 ZINC001608271902 1164475400 /nfs/dbraw/zinc/47/54/00/1164475400.db2.gz CVQDTEKHYCEYPU-UHFFFAOYSA-N -1 1 287.323 1.587 20 0 CDADMM O=C(C=C1CCCC1)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001608282599 1164479733 /nfs/dbraw/zinc/47/97/33/1164479733.db2.gz AVUISRGMTSWKML-NSHDSACASA-N -1 1 263.297 1.022 20 0 CDADMM O=C([O-])c1csc(NC(=O)Cc2n[nH]c(C3CC3)n2)c1 ZINC001608372685 1164500761 /nfs/dbraw/zinc/50/07/61/1164500761.db2.gz UQIOTGHDTSDVOH-UHFFFAOYSA-N -1 1 292.320 1.623 20 0 CDADMM O=C([O-])[C@@H](NCc1cc[nH]c(=O)c1)c1cc(F)ccc1F ZINC001608551477 1164543113 /nfs/dbraw/zinc/54/31/13/1164543113.db2.gz SWMSFDOHTLLFJU-ZDUSSCGKSA-N -1 1 294.257 1.981 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](O)CN(Cc2cc(Cl)cs2)C1 ZINC001608600818 1164566119 /nfs/dbraw/zinc/56/61/19/1164566119.db2.gz FVCJXQGXKFPXAW-IONNQARKSA-N -1 1 275.757 1.669 20 0 CDADMM O=C([O-])[C@H]1CC12CCN(Cc1cn(C3CC3)nn1)CC2 ZINC001608608904 1164572878 /nfs/dbraw/zinc/57/28/78/1164572878.db2.gz YCBXGJKFUCQSRZ-GFCCVEGCSA-N -1 1 276.340 1.300 20 0 CDADMM O=C([O-])[C@@H]1CCN(Cc2c[nH]cn2)[C@@H]([C@@H]2CCCO2)C1 ZINC001608634631 1164583212 /nfs/dbraw/zinc/58/32/12/1164583212.db2.gz XUECKNGXNZIYOT-RTXFEEFZSA-N -1 1 279.340 1.254 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H]1c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC001608811680 1164645202 /nfs/dbraw/zinc/64/52/02/1164645202.db2.gz JHJCTKGBMBILSJ-JGVFFNPUSA-N -1 1 270.248 1.801 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](C(F)(F)F)C[N@H+]([C@H]2CCOC2)C1 ZINC001608823067 1164653065 /nfs/dbraw/zinc/65/30/65/1164653065.db2.gz WJJWRJRKFZYRSG-YIZRAAEISA-N -1 1 267.247 1.360 20 0 CDADMM O=C([O-])c1ccc(C(=O)N[C@@H]2CN3CCC2CC3)c(F)c1 ZINC001608874030 1164669237 /nfs/dbraw/zinc/66/92/37/1164669237.db2.gz PHNLTSIMQGLPQE-CYBMUJFWSA-N -1 1 292.310 1.348 20 0 CDADMM O=C([O-])c1ccc(C(=O)Nc2ccc3cncn3c2)o1 ZINC001608875643 1164669963 /nfs/dbraw/zinc/66/99/63/1164669963.db2.gz HXBPMCWIEUSXTD-UHFFFAOYSA-N -1 1 271.232 1.878 20 0 CDADMM O=C([O-])c1ccc(N[C@@H](c2nnc[nH]2)c2ccccc2)nn1 ZINC001608903082 1164680509 /nfs/dbraw/zinc/68/05/09/1164680509.db2.gz FRHMRVXFNGEFJE-GFCCVEGCSA-N -1 1 296.290 1.494 20 0 CDADMM Cc1cc(CNC(=O)Cc2sc(N)nc2[O-])ccc1F ZINC000120842796 1164720950 /nfs/dbraw/zinc/72/09/50/1164720950.db2.gz VYUJOBBGLDAAIX-SNVBAGLBSA-N -1 1 295.339 1.097 20 0 CDADMM C=C=CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001609052200 1164745071 /nfs/dbraw/zinc/74/50/71/1164745071.db2.gz QUHJQNYCVTUSGT-UHFFFAOYSA-N -1 1 254.706 1.730 20 0 CDADMM C=C=CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001609052200 1164745078 /nfs/dbraw/zinc/74/50/78/1164745078.db2.gz QUHJQNYCVTUSGT-UHFFFAOYSA-N -1 1 254.706 1.730 20 0 CDADMM CC(C)C1(CNC(=O)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001609089895 1164764320 /nfs/dbraw/zinc/76/43/20/1164764320.db2.gz HMXIGDHQULMMAS-UHFFFAOYSA-N -1 1 286.339 1.428 20 0 CDADMM CC(C)C1(CNC(=O)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001609089895 1164764324 /nfs/dbraw/zinc/76/43/24/1164764324.db2.gz HMXIGDHQULMMAS-UHFFFAOYSA-N -1 1 286.339 1.428 20 0 CDADMM CC1(C)C(Nc2cncc(-c3nnn[n-]3)n2)C1(C)C ZINC001609143604 1164788835 /nfs/dbraw/zinc/78/88/35/1164788835.db2.gz PRFCFKDXXNJLBJ-UHFFFAOYSA-N -1 1 259.317 1.503 20 0 CDADMM CC1(C)C(Nc2cncc(-c3nn[n-]n3)n2)C1(C)C ZINC001609143604 1164788841 /nfs/dbraw/zinc/78/88/41/1164788841.db2.gz PRFCFKDXXNJLBJ-UHFFFAOYSA-N -1 1 259.317 1.503 20 0 CDADMM CC1(C)C[C@@H](CNc2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001609143922 1164789606 /nfs/dbraw/zinc/78/96/06/1164789606.db2.gz AYPYXARAGGNDNU-JTQLQIEISA-N -1 1 288.355 1.301 20 0 CDADMM CC1(C)C[C@@H](CNc2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC001609143922 1164789613 /nfs/dbraw/zinc/78/96/13/1164789613.db2.gz AYPYXARAGGNDNU-JTQLQIEISA-N -1 1 288.355 1.301 20 0 CDADMM CC1(CNC(=O)c2ccc(-c3nnn[n-]3)o2)CCCC1 ZINC001609148184 1164795612 /nfs/dbraw/zinc/79/56/12/1164795612.db2.gz IYGWHRWGYQPFEF-UHFFFAOYSA-N -1 1 275.312 1.770 20 0 CDADMM CC1(CNC(=O)c2ccc(-c3nn[n-]n3)o2)CCCC1 ZINC001609148184 1164795619 /nfs/dbraw/zinc/79/56/19/1164795619.db2.gz IYGWHRWGYQPFEF-UHFFFAOYSA-N -1 1 275.312 1.770 20 0 CDADMM C[C@@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)CO1 ZINC001609157377 1164804805 /nfs/dbraw/zinc/80/48/05/1164804805.db2.gz JWGSOHHBHGSHJQ-RKDXNWHRSA-N -1 1 297.322 1.399 20 0 CDADMM C[C@@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)CO1 ZINC001609157377 1164804813 /nfs/dbraw/zinc/80/48/13/1164804813.db2.gz JWGSOHHBHGSHJQ-RKDXNWHRSA-N -1 1 297.322 1.399 20 0 CDADMM CC[C@H]1CCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609200934 1164840833 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Cc1nsc(N(C)C[C@H]2CCC[C@@H]2O)c1-c1nn[n-]n1 ZINC001609464008 1164961363 /nfs/dbraw/zinc/96/13/63/1164961363.db2.gz LYNPYYGROBRJJI-BDAKNGLRSA-N -1 1 294.384 1.229 20 0 CDADMM Cc1nsc(N2CCC(F)(F)C2)c1-c1nn[n-]n1 ZINC001609463796 1164962520 /nfs/dbraw/zinc/96/25/20/1164962520.db2.gz IAJURMGXYMXCQO-UHFFFAOYSA-N -1 1 272.284 1.477 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCCC(C)C ZINC001609467704 1164964046 /nfs/dbraw/zinc/96/40/46/1164964046.db2.gz QRUUGUXCYXXDFX-UHFFFAOYSA-N -1 1 277.328 1.934 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCCC(C)C ZINC001609467704 1164964051 /nfs/dbraw/zinc/96/40/51/1164964051.db2.gz QRUUGUXCYXXDFX-UHFFFAOYSA-N -1 1 277.328 1.934 20 0 CDADMM C/C(=C/CN[C@H](c1nncn1C)C(C)C)C(=O)[O-] ZINC001609503222 1164977741 /nfs/dbraw/zinc/97/77/41/1164977741.db2.gz IBIVXYVERSKIGX-BSKOKIOFSA-N -1 1 252.318 1.133 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC(C2CCCC2)C1 ZINC001609582628 1164995603 /nfs/dbraw/zinc/99/56/03/1164995603.db2.gz CRKJJQHFUAQMMB-UHFFFAOYSA-N -1 1 298.350 1.524 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263.297 1.423 20 0 CDADMM O=C(N[C@@H]1C[C@H]1C1CC1)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155276691 1167114823 /nfs/dbraw/zinc/11/48/23/1167114823.db2.gz QONQTRZIQFNFIR-WDEREUQCSA-N -1 1 257.293 1.797 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2cccc3[nH]c(=O)[nH]c32)c1[O-] ZINC001641878849 1167141451 /nfs/dbraw/zinc/14/14/51/1167141451.db2.gz SAXSMIIZTTUAML-UHFFFAOYSA-N -1 1 273.252 1.258 20 0 CDADMM CC(C)c1ncc(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)[nH]1 ZINC001646228539 1167707760 /nfs/dbraw/zinc/70/77/60/1167707760.db2.gz WHWSCDGDVAJDRC-ZJUUUORDSA-N -1 1 279.340 1.716 20 0 CDADMM COC(=O)c1cc(CN2C[C@H](C(=O)[O-])CC[C@H]2C)on1 ZINC001646280003 1167743080 /nfs/dbraw/zinc/74/30/80/1167743080.db2.gz HJWAWBXQHHUIMB-RKDXNWHRSA-N -1 1 282.296 1.146 20 0 CDADMM CC/C=C/CCN1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001609952602 1167976908 /nfs/dbraw/zinc/97/69/08/1167976908.db2.gz UFWATIRTMNJIQE-XMXMHJJKSA-N -1 1 269.341 1.681 20 0 CDADMM C[C@@H](CN(C)C(=O)c1cc2ncccc2o1)c1nn[n-]n1 ZINC001567310613 1168672144 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CC(C)C[C@@H]1C[C@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001574236554 1170927502 /nfs/dbraw/zinc/92/75/02/1170927502.db2.gz IKUNWBXJJPNCRK-RKDXNWHRSA-N -1 1 259.317 1.503 20 0 CDADMM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)c1cncc2nc[nH]c21 ZINC001574332274 1170948953 /nfs/dbraw/zinc/94/89/53/1170948953.db2.gz CSUSECQRTWBGGE-SCZZXKLOSA-N -1 1 288.307 1.331 20 0 CDADMM O=C([O-])[C@@H]1C[C@H]1CN1Cc2nc(C3CC3)[nH]c(=O)c2C1 ZINC001574395543 1170967402 /nfs/dbraw/zinc/96/74/02/1170967402.db2.gz KRNJIXWDRLLIRR-DTWKUNHWSA-N -1 1 275.308 1.096 20 0 CDADMM O=C(c1cccc(Cl)c1[O-])N1CC[C@@H](c2nn[nH]n2)C1 ZINC001650582886 1171206437 /nfs/dbraw/zinc/20/64/37/1171206437.db2.gz UBOCZNQZJJYMAW-SSDOTTSWSA-N -1 1 293.714 1.188 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cccn1Cc1ccncc1 ZINC001651044795 1171281493 /nfs/dbraw/zinc/28/14/93/1171281493.db2.gz YMRDMPASPQIQLX-UHFFFAOYSA-N -1 1 283.291 1.612 20 0 CDADMM CCOC(=O)CC(C)(C)CC(=O)Nc1c[n-][nH]c1=O ZINC001651044367 1171282039 /nfs/dbraw/zinc/28/20/39/1171282039.db2.gz GGJVHDLAPFAVKK-UHFFFAOYSA-N -1 1 269.301 1.423 20 0 CDADMM C[C@H](Cc1cccnc1)NC(=O)c1ncccc1[O-] ZINC001653577164 1171550421 /nfs/dbraw/zinc/55/04/21/1171550421.db2.gz XANMALLNQVSEAP-SNVBAGLBSA-N -1 1 257.293 1.543 20 0 CDADMM CCC[C@H](C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001577278432 1171634948 /nfs/dbraw/zinc/63/49/48/1171634948.db2.gz DCGACQBXVCUBOG-QMMMGPOBSA-N -1 1 279.369 1.981 20 0 CDADMM CCc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1O ZINC001578533983 1171948348 /nfs/dbraw/zinc/94/83/48/1171948348.db2.gz HMXXQQCGFQWEJO-UHFFFAOYSA-N -1 1 299.290 1.980 20 0 CDADMM O=C(Nc1cnn(Cc2cccnc2)c1)c1ccc([O-])cn1 ZINC001584391007 1172818292 /nfs/dbraw/zinc/81/82/92/1172818292.db2.gz GEPBRYXOZMOESL-UHFFFAOYSA-N -1 1 295.302 1.679 20 0 CDADMM O=C(NCc1nn[n-]n1)c1ccc(F)c2occc21 ZINC001584968536 1172870073 /nfs/dbraw/zinc/87/00/73/1172870073.db2.gz VJOFGVFEXRNHRJ-UHFFFAOYSA-N -1 1 261.216 1.015 20 0 CDADMM C[C@H](NC(=O)c1ccc(F)c([O-])c1)c1cnn(C)c1 ZINC001586679933 1172954842 /nfs/dbraw/zinc/95/48/42/1172954842.db2.gz MPBRJARPPFYDPP-QMMMGPOBSA-N -1 1 263.272 1.756 20 0 CDADMM CC(C)C(NC(=O)c1coc(-c2nnn[n-]2)c1)C(C)C ZINC001589471623 1173146880 /nfs/dbraw/zinc/14/68/80/1173146880.db2.gz FBOAILQFOIQMJB-UHFFFAOYSA-N -1 1 277.328 1.870 20 0 CDADMM CC(C)C(NC(=O)c1coc(-c2nn[n-]n2)c1)C(C)C ZINC001589471623 1173146882 /nfs/dbraw/zinc/14/68/82/1173146882.db2.gz FBOAILQFOIQMJB-UHFFFAOYSA-N -1 1 277.328 1.870 20 0 CDADMM CC(C)[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1C(C)C ZINC001589516389 1173154438 /nfs/dbraw/zinc/15/44/38/1173154438.db2.gz AMKAAZMOLKSQMR-JQWIXIFHSA-N -1 1 287.371 1.774 20 0 CDADMM CC(C)C[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001589573704 1173159170 /nfs/dbraw/zinc/15/91/70/1173159170.db2.gz ZCRATYCKFMZWPA-LLVKDONJSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)C[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001589573704 1173159176 /nfs/dbraw/zinc/15/91/76/1173159176.db2.gz ZCRATYCKFMZWPA-LLVKDONJSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)CSCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001589653445 1173166268 /nfs/dbraw/zinc/16/62/68/1173166268.db2.gz OWKHXYIBRKAOEZ-UHFFFAOYSA-N -1 1 279.373 1.458 20 0 CDADMM CC(C)CSCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001589653445 1173166275 /nfs/dbraw/zinc/16/62/75/1173166275.db2.gz OWKHXYIBRKAOEZ-UHFFFAOYSA-N -1 1 279.373 1.458 20 0 CDADMM C[C@H](CCO)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001589834147 1173190669 /nfs/dbraw/zinc/19/06/69/1173190669.db2.gz CJARRDCILAFEMF-SCSAIBSYSA-N -1 1 274.737 1.159 20 0 CDADMM C[C@@H](Cn1cncc(-c2nn[n-]n2)c1=O)C(C)(C)C ZINC001589903881 1173201723 /nfs/dbraw/zinc/20/17/23/1173201723.db2.gz KLZWAJSPZNGFOD-QMMMGPOBSA-N -1 1 262.317 1.106 20 0 CDADMM CC1(C)C[C@@H]1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590088574 1173251917 /nfs/dbraw/zinc/25/19/17/1173251917.db2.gz YNSQOGZLFKOKGO-SSDOTTSWSA-N -1 1 258.285 1.246 20 0 CDADMM CC1(C)C[C@@H]1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590088574 1173251922 /nfs/dbraw/zinc/25/19/22/1173251922.db2.gz YNSQOGZLFKOKGO-SSDOTTSWSA-N -1 1 258.285 1.246 20 0 CDADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C1CC1 ZINC001590108561 1173259206 /nfs/dbraw/zinc/25/92/06/1173259206.db2.gz XQYBDSMIMVTWHL-SNVBAGLBSA-N -1 1 271.328 1.282 20 0 CDADMM CC1(C)OC[C@@H](CSc2cccnc2-c2nnn[n-]2)O1 ZINC001590115960 1173261856 /nfs/dbraw/zinc/26/18/56/1173261856.db2.gz ZSBKAXKFDXPPLI-QMMMGPOBSA-N -1 1 293.352 1.505 20 0 CDADMM CC1(C)OC[C@@H](CSc2cccnc2-c2nn[n-]n2)O1 ZINC001590115960 1173261863 /nfs/dbraw/zinc/26/18/63/1173261863.db2.gz ZSBKAXKFDXPPLI-QMMMGPOBSA-N -1 1 293.352 1.505 20 0 CDADMM CC1(C)C[C@@H]1C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001590113538 1173262272 /nfs/dbraw/zinc/26/22/72/1173262272.db2.gz PXZUUTGCFHDTAZ-MRVPVSSYSA-N -1 1 262.269 1.549 20 0 CDADMM CC1(C)C[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001590113538 1173262276 /nfs/dbraw/zinc/26/22/76/1173262276.db2.gz PXZUUTGCFHDTAZ-MRVPVSSYSA-N -1 1 262.269 1.549 20 0 CDADMM CC1(CNc2cncc(-c3nnn[n-]3)n2)CC(F)(F)C1 ZINC001590134462 1173267678 /nfs/dbraw/zinc/26/76/78/1173267678.db2.gz AHWGQEZODFDNDB-UHFFFAOYSA-N -1 1 281.270 1.504 20 0 CDADMM CC1(CNc2cncc(-c3nn[n-]n3)n2)CC(F)(F)C1 ZINC001590134462 1173267683 /nfs/dbraw/zinc/26/76/83/1173267683.db2.gz AHWGQEZODFDNDB-UHFFFAOYSA-N -1 1 281.270 1.504 20 0 CDADMM C[C@@]1(c2noc(-c3ccc(-c4nn[n-]n4)o3)n2)CCCO1 ZINC001590152151 1173276192 /nfs/dbraw/zinc/27/61/92/1173276192.db2.gz DAGUODONXPXSJK-LBPRGKRZSA-N -1 1 288.267 1.535 20 0 CDADMM CC1=NO[C@@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001590160620 1173279627 /nfs/dbraw/zinc/27/96/27/1173279627.db2.gz AUYKLDHPFWDKGE-RXMQYKEDSA-N -1 1 299.747 1.553 20 0 CDADMM C[C@H]1C[C@H](C)N(C(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001590189665 1173284485 /nfs/dbraw/zinc/28/44/85/1173284485.db2.gz ITZXOUQFHDMRMU-YUMQZZPRSA-N -1 1 277.353 1.799 20 0 CDADMM C[C@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)n2)CCS1 ZINC001590207426 1173292586 /nfs/dbraw/zinc/29/25/86/1173292586.db2.gz DPYRIGISKFZLDN-DTWKUNHWSA-N -1 1 276.369 1.958 20 0 CDADMM C[C@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)n2)CCS1 ZINC001590207426 1173292590 /nfs/dbraw/zinc/29/25/90/1173292590.db2.gz DPYRIGISKFZLDN-DTWKUNHWSA-N -1 1 276.369 1.958 20 0 CDADMM CC1CC(OC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590213187 1173296187 /nfs/dbraw/zinc/29/61/87/1173296187.db2.gz CDBMRCGXDGHEFP-UHFFFAOYSA-N -1 1 273.296 1.146 20 0 CDADMM CC1CC(OC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590213187 1173296189 /nfs/dbraw/zinc/29/61/89/1173296189.db2.gz CDBMRCGXDGHEFP-UHFFFAOYSA-N -1 1 273.296 1.146 20 0 CDADMM C[C@@H]1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)O1 ZINC001590244547 1173316585 /nfs/dbraw/zinc/31/65/85/1173316585.db2.gz TZKJZVMHUVYQJI-BDAKNGLRSA-N -1 1 275.316 1.026 20 0 CDADMM C[C@@H]1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)O1 ZINC001590244547 1173316590 /nfs/dbraw/zinc/31/65/90/1173316590.db2.gz TZKJZVMHUVYQJI-BDAKNGLRSA-N -1 1 275.316 1.026 20 0 CDADMM C[C@@H]1CCC[C@@H](NC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590244747 1173317774 /nfs/dbraw/zinc/31/77/74/1173317774.db2.gz QLYWFOGJNDGFKE-MWLCHTKSSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@@H]1CCC[C@@H](NC(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590244747 1173317781 /nfs/dbraw/zinc/31/77/81/1173317781.db2.gz QLYWFOGJNDGFKE-MWLCHTKSSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@@H]1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)[C@H]1C ZINC001590263757 1173327207 /nfs/dbraw/zinc/32/72/07/1173327207.db2.gz LGGRSPDAYQQVQO-ZJUUUORDSA-N -1 1 286.339 1.061 20 0 CDADMM C[C@@H]1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)[C@H]1C ZINC001590263757 1173327212 /nfs/dbraw/zinc/32/72/12/1173327212.db2.gz LGGRSPDAYQQVQO-ZJUUUORDSA-N -1 1 286.339 1.061 20 0 CDADMM C[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001590273902 1173332234 /nfs/dbraw/zinc/33/22/34/1173332234.db2.gz BPFOJNMHRODYDN-RXMQYKEDSA-N -1 1 270.749 1.823 20 0 CDADMM C[C@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@H]1C ZINC001590294995 1173339194 /nfs/dbraw/zinc/33/91/94/1173339194.db2.gz ZMIKGQYHPQOJKL-YUMQZZPRSA-N -1 1 273.300 1.134 20 0 CDADMM C[C@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@H]1C ZINC001590294995 1173339199 /nfs/dbraw/zinc/33/91/99/1173339199.db2.gz ZMIKGQYHPQOJKL-YUMQZZPRSA-N -1 1 273.300 1.134 20 0 CDADMM CCC(CC)CC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590433167 1173408939 /nfs/dbraw/zinc/40/89/39/1173408939.db2.gz BHJAXLSBNAHFNR-UHFFFAOYSA-N -1 1 263.305 1.355 20 0 CDADMM CCC(CC)CC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590433167 1173408944 /nfs/dbraw/zinc/40/89/44/1173408944.db2.gz BHJAXLSBNAHFNR-UHFFFAOYSA-N -1 1 263.305 1.355 20 0 CDADMM CCC(F)(F)COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590452270 1173417830 /nfs/dbraw/zinc/41/78/30/1173417830.db2.gz WDEDJBSSIOYBRS-UHFFFAOYSA-N -1 1 272.211 1.662 20 0 CDADMM CC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCCO1 ZINC001590473997 1173425002 /nfs/dbraw/zinc/42/50/02/1173425002.db2.gz VDMGECDSINCKAL-MWLCHTKSSA-N -1 1 289.343 1.416 20 0 CDADMM CC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCCO1 ZINC001590473997 1173425005 /nfs/dbraw/zinc/42/50/05/1173425005.db2.gz VDMGECDSINCKAL-MWLCHTKSSA-N -1 1 289.343 1.416 20 0 CDADMM CC[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001590506506 1173438946 /nfs/dbraw/zinc/43/89/46/1173438946.db2.gz UBPPUSMBHXIAFW-IUCAKERBSA-N -1 1 291.311 1.147 20 0 CDADMM CC[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001590506506 1173438951 /nfs/dbraw/zinc/43/89/51/1173438951.db2.gz UBPPUSMBHXIAFW-IUCAKERBSA-N -1 1 291.311 1.147 20 0 CDADMM CC[C@H]1C[C@@H](Nc2cc(C)cc(-c3nnn[n-]3)n2)CCO1 ZINC001590504822 1173440075 /nfs/dbraw/zinc/44/00/75/1173440075.db2.gz MJLKNDKRBBGQQI-QWRGUYRKSA-N -1 1 288.355 1.940 20 0 CDADMM CC[C@H]1C[C@@H](Nc2cc(C)cc(-c3nn[n-]n3)n2)CCO1 ZINC001590504822 1173440079 /nfs/dbraw/zinc/44/00/79/1173440079.db2.gz MJLKNDKRBBGQQI-QWRGUYRKSA-N -1 1 288.355 1.940 20 0 CDADMM CC[C@H]1CCC[C@H]1C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001590507642 1173444122 /nfs/dbraw/zinc/44/41/22/1173444122.db2.gz KKXBSXAGEWZIJK-DTWKUNHWSA-N -1 1 289.343 1.663 20 0 CDADMM CC[C@H]1CN(c2cccnc2-c2nnn[n-]2)C[C@H](C)O1 ZINC001590523415 1173452022 /nfs/dbraw/zinc/45/20/22/1173452022.db2.gz XVMOOQQXZANLHA-UWVGGRQHSA-N -1 1 274.328 1.265 20 0 CDADMM CC[C@H]1CN(c2cccnc2-c2nn[n-]n2)C[C@H](C)O1 ZINC001590523415 1173452025 /nfs/dbraw/zinc/45/20/25/1173452025.db2.gz XVMOOQQXZANLHA-UWVGGRQHSA-N -1 1 274.328 1.265 20 0 CDADMM CCC[C@@H]1CCCN1c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001590571638 1173465851 /nfs/dbraw/zinc/46/58/51/1173465851.db2.gz GXXZGTXATSNPPZ-SNVBAGLBSA-N -1 1 273.344 1.734 20 0 CDADMM CCC[C@@H]1CCCN1c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001590571638 1173465852 /nfs/dbraw/zinc/46/58/52/1173465852.db2.gz GXXZGTXATSNPPZ-SNVBAGLBSA-N -1 1 273.344 1.734 20 0 CDADMM CCN(C[C@H](C)OC)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001590680470 1173489655 /nfs/dbraw/zinc/48/96/55/1173489655.db2.gz CUOIEPNQACFIGD-QMMMGPOBSA-N -1 1 296.762 1.776 20 0 CDADMM CCN(C[C@H](C)OC)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001590680470 1173489664 /nfs/dbraw/zinc/48/96/64/1173489664.db2.gz CUOIEPNQACFIGD-QMMMGPOBSA-N -1 1 296.762 1.776 20 0 CDADMM CCNc1cc(CNc2cncc(-c3nnn[n-]3)n2)ccn1 ZINC001590746432 1173505670 /nfs/dbraw/zinc/50/56/70/1173505670.db2.gz NNMYVORHRPFVDF-UHFFFAOYSA-N -1 1 297.326 1.096 20 0 CDADMM CCNc1cc(CNc2cncc(-c3nn[n-]n3)n2)ccn1 ZINC001590746432 1173505673 /nfs/dbraw/zinc/50/56/73/1173505673.db2.gz NNMYVORHRPFVDF-UHFFFAOYSA-N -1 1 297.326 1.096 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](CC)[C@H]2C)n1 ZINC001590905605 1173539238 /nfs/dbraw/zinc/53/92/38/1173539238.db2.gz FFUKIJRJUCGRHF-ZJUUUORDSA-N -1 1 287.371 1.844 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](CC)[C@H]2C)n1 ZINC001590905605 1173539244 /nfs/dbraw/zinc/53/92/44/1173539244.db2.gz FFUKIJRJUCGRHF-ZJUUUORDSA-N -1 1 287.371 1.844 20 0 CDADMM CNc1ccccc1CNc1n[nH]c(C)c1-c1nnn[n-]1 ZINC001591223012 1173591953 /nfs/dbraw/zinc/59/19/53/1173591953.db2.gz DXZNVTBSLZEKLU-UHFFFAOYSA-N -1 1 284.327 1.552 20 0 CDADMM CNc1ccccc1CNc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001591223012 1173591957 /nfs/dbraw/zinc/59/19/57/1173591957.db2.gz DXZNVTBSLZEKLU-UHFFFAOYSA-N -1 1 284.327 1.552 20 0 CDADMM COC(=O)/C(C)=C/CNc1snc(C)c1-c1nn[n-]n1 ZINC001591227501 1173595864 /nfs/dbraw/zinc/59/58/64/1173595864.db2.gz ALLIDFZQSQIELQ-GQCTYLIASA-N -1 1 294.340 1.163 20 0 CDADMM COC(=O)c1ccc(NCC(C)(F)F)c(-c2nnn[n-]2)n1 ZINC001591295603 1173599272 /nfs/dbraw/zinc/59/92/72/1173599272.db2.gz LIEOGUZDUJBFGK-UHFFFAOYSA-N -1 1 298.253 1.115 20 0 CDADMM COC(=O)c1ccc(NCC(C)(F)F)c(-c2nn[n-]n2)n1 ZINC001591295603 1173599279 /nfs/dbraw/zinc/59/92/79/1173599279.db2.gz LIEOGUZDUJBFGK-UHFFFAOYSA-N -1 1 298.253 1.115 20 0 CDADMM COC(C)(C)CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591316491 1173602073 /nfs/dbraw/zinc/60/20/73/1173602073.db2.gz KQSXOJFUQRMEEK-UHFFFAOYSA-N -1 1 295.368 1.473 20 0 CDADMM COC(C)(C)CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591316491 1173602075 /nfs/dbraw/zinc/60/20/75/1173602075.db2.gz KQSXOJFUQRMEEK-UHFFFAOYSA-N -1 1 295.368 1.473 20 0 CDADMM CO[C@]1(C)CCCN(c2cc(C)nc(-c3nnn[n-]3)c2)C1 ZINC001591339586 1173617401 /nfs/dbraw/zinc/61/74/01/1173617401.db2.gz UUEIJQKODDRFGU-CQSZACIVSA-N -1 1 288.355 1.575 20 0 CDADMM CO[C@]1(C)CCCN(c2cc(C)nc(-c3nn[n-]n3)c2)C1 ZINC001591339586 1173617406 /nfs/dbraw/zinc/61/74/06/1173617406.db2.gz UUEIJQKODDRFGU-CQSZACIVSA-N -1 1 288.355 1.575 20 0 CDADMM CO[C@@H]1CC[C@@H]1N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591355810 1173628035 /nfs/dbraw/zinc/62/80/35/1173628035.db2.gz WMFKMYVXZKRHHF-JGVFFNPUSA-N -1 1 293.352 1.178 20 0 CDADMM CO[C@@H]1CC[C@@H]1N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591355810 1173628039 /nfs/dbraw/zinc/62/80/39/1173628039.db2.gz WMFKMYVXZKRHHF-JGVFFNPUSA-N -1 1 293.352 1.178 20 0 CDADMM COc1ccc(CNc2n[nH]cc2-c2nnn[n-]2)cc1F ZINC001591601058 1173673320 /nfs/dbraw/zinc/67/33/20/1173673320.db2.gz LWBOVASYEIEOHO-UHFFFAOYSA-N -1 1 289.274 1.350 20 0 CDADMM COc1ccc(CNc2n[nH]cc2-c2nn[n-]n2)cc1F ZINC001591601058 1173673325 /nfs/dbraw/zinc/67/33/25/1173673325.db2.gz LWBOVASYEIEOHO-UHFFFAOYSA-N -1 1 289.274 1.350 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](CF)C2)c1 ZINC001591886405 1173738459 /nfs/dbraw/zinc/73/84/59/1173738459.db2.gz VWLGOEFVONWYCY-VIFPVBQESA-N -1 1 262.292 1.366 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](CF)C2)c1 ZINC001591886405 1173738461 /nfs/dbraw/zinc/73/84/61/1173738461.db2.gz VWLGOEFVONWYCY-VIFPVBQESA-N -1 1 262.292 1.366 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCC[C@H](C)O2)n1 ZINC001591895044 1173740792 /nfs/dbraw/zinc/74/07/92/1173740792.db2.gz OFGIZVZXXPWKPA-UWVGGRQHSA-N -1 1 289.343 1.335 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCC[C@H](C)O2)n1 ZINC001591895044 1173740798 /nfs/dbraw/zinc/74/07/98/1173740798.db2.gz OFGIZVZXXPWKPA-UWVGGRQHSA-N -1 1 289.343 1.335 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CC23CCCC3)n1 ZINC001591892818 1173742890 /nfs/dbraw/zinc/74/28/90/1173742890.db2.gz PSCWSUQWKPZJQI-JTQLQIEISA-N -1 1 271.328 1.710 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CC23CCCC3)n1 ZINC001591892818 1173742895 /nfs/dbraw/zinc/74/28/95/1173742895.db2.gz PSCWSUQWKPZJQI-JTQLQIEISA-N -1 1 271.328 1.710 20 0 CDADMM Cc1cc(C)cc(OCCn2cc(-c3nn[n-]n3)nn2)c1 ZINC001591955214 1173752717 /nfs/dbraw/zinc/75/27/17/1173752717.db2.gz XMBXMVQDAWXIPI-UHFFFAOYSA-N -1 1 285.311 1.154 20 0 CDADMM Cc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)o2)ccn1 ZINC001591966324 1173757539 /nfs/dbraw/zinc/75/75/39/1173757539.db2.gz VIIMGWCIGMWVQT-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)ccn1 ZINC001591966324 1173757546 /nfs/dbraw/zinc/75/75/46/1173757546.db2.gz VIIMGWCIGMWVQT-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1cc(CNc2n[nH]cc2-c2nnn[n-]2)cnc1Cl ZINC001591969954 1173761316 /nfs/dbraw/zinc/76/13/16/1173761316.db2.gz YJDREIJDHBITBX-UHFFFAOYSA-N -1 1 290.718 1.559 20 0 CDADMM Cc1cc(CNc2n[nH]cc2-c2nn[n-]n2)cnc1Cl ZINC001591969954 1173761320 /nfs/dbraw/zinc/76/13/20/1173761320.db2.gz YJDREIJDHBITBX-UHFFFAOYSA-N -1 1 290.718 1.559 20 0 CDADMM Cc1cc(N(C)C[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001591995798 1173766736 /nfs/dbraw/zinc/76/67/36/1173766736.db2.gz MPHBSSCKCSFXPF-JTQLQIEISA-N -1 1 274.328 1.043 20 0 CDADMM Cc1cc(NC[C@H](O)CC(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001592042142 1173785109 /nfs/dbraw/zinc/78/51/09/1173785109.db2.gz ZYPXAVNXNPIVBB-LLVKDONJSA-N -1 1 290.371 1.779 20 0 CDADMM Cc1cc(NC[C@H](O)CC(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001592042142 1173785115 /nfs/dbraw/zinc/78/51/15/1173785115.db2.gz ZYPXAVNXNPIVBB-LLVKDONJSA-N -1 1 290.371 1.779 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H]1C[C@H](C)O[C@H]1C ZINC001592114019 1173806389 /nfs/dbraw/zinc/80/63/89/1173806389.db2.gz MDYSOGQOSUXPTJ-DCAQKATOSA-N -1 1 288.355 1.796 20 0 CDADMM Cc1ccc(N(C)Cc2nccs2)nc1-c1nnn[n-]1 ZINC001592176376 1173823638 /nfs/dbraw/zinc/82/36/38/1173823638.db2.gz XHPSQKCCFSVLJE-UHFFFAOYSA-N -1 1 287.352 1.663 20 0 CDADMM Cc1ccc(N(C)Cc2nccs2)nc1-c1nn[n-]n1 ZINC001592176376 1173823642 /nfs/dbraw/zinc/82/36/42/1173823642.db2.gz XHPSQKCCFSVLJE-UHFFFAOYSA-N -1 1 287.352 1.663 20 0 CDADMM Cc1ccc(N2CCC[C@H]3C[C@H]32)nc1-c1nnn[n-]1 ZINC001592176367 1173823797 /nfs/dbraw/zinc/82/37/97/1173823797.db2.gz LQMPYQBUAGVREW-VHSXEESVSA-N -1 1 256.313 1.559 20 0 CDADMM Cc1ccc(N2CCC[C@H]3C[C@H]32)nc1-c1nn[n-]n1 ZINC001592176367 1173823800 /nfs/dbraw/zinc/82/38/00/1173823800.db2.gz LQMPYQBUAGVREW-VHSXEESVSA-N -1 1 256.313 1.559 20 0 CDADMM Cc1ccc(NCCC(F)F)c(-c2nnn[n-]2)n1 ZINC001592182825 1173825110 /nfs/dbraw/zinc/82/51/10/1173825110.db2.gz BBMJLWXRNHRCNZ-UHFFFAOYSA-N -1 1 254.244 1.637 20 0 CDADMM Cc1ccc(NCCC(F)F)c(-c2nn[n-]n2)n1 ZINC001592182825 1173825113 /nfs/dbraw/zinc/82/51/13/1173825113.db2.gz BBMJLWXRNHRCNZ-UHFFFAOYSA-N -1 1 254.244 1.637 20 0 CDADMM Cc1ccncc1NCc1nc(-c2nnn[n-]2)cs1 ZINC001592279439 1173843787 /nfs/dbraw/zinc/84/37/87/1173843787.db2.gz XGKCFXSPHZELBN-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1ccncc1NCc1nc(-c2nn[n-]n2)cs1 ZINC001592279439 1173843793 /nfs/dbraw/zinc/84/37/93/1173843793.db2.gz XGKCFXSPHZELBN-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1csc(NC(=O)c2ccsc2-c2nnn[n-]2)n1 ZINC001592320483 1173855159 /nfs/dbraw/zinc/85/51/59/1173855159.db2.gz HMRGLNUKFDYHNW-UHFFFAOYSA-N -1 1 292.349 1.945 20 0 CDADMM Cc1csc(NC(=O)c2ccsc2-c2nn[n-]n2)n1 ZINC001592320483 1173855168 /nfs/dbraw/zinc/85/51/68/1173855168.db2.gz HMRGLNUKFDYHNW-UHFFFAOYSA-N -1 1 292.349 1.945 20 0 CDADMM Cc1cscc1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001592324516 1173855534 /nfs/dbraw/zinc/85/55/34/1173855534.db2.gz URQVPEKRMBUQON-UHFFFAOYSA-N -1 1 273.325 1.061 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](C(C)C)C2)n1 ZINC001592338180 1173859322 /nfs/dbraw/zinc/85/93/22/1173859322.db2.gz WERLUCYWCYPVFX-NSHDSACASA-N -1 1 287.371 1.838 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](C(C)C)C2)n1 ZINC001592338180 1173859326 /nfs/dbraw/zinc/85/93/26/1173859326.db2.gz WERLUCYWCYPVFX-NSHDSACASA-N -1 1 287.371 1.838 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(CCSC(C)C)c1C ZINC001592339662 1173861807 /nfs/dbraw/zinc/86/18/07/1173861807.db2.gz QXFDSVCJUJOGSH-UHFFFAOYSA-N -1 1 266.374 1.822 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(CCSC(C)C)c1C ZINC001592339662 1173861809 /nfs/dbraw/zinc/86/18/09/1173861809.db2.gz QXFDSVCJUJOGSH-UHFFFAOYSA-N -1 1 266.374 1.822 20 0 CDADMM Cc1nc(Cn2ccc(-c3nn[n-]n3)cc2=O)sc1C ZINC001592362841 1173866477 /nfs/dbraw/zinc/86/64/77/1173866477.db2.gz FJGJAOIPJAYRHG-UHFFFAOYSA-N -1 1 288.336 1.150 20 0 CDADMM Cc1nn(CC2CCCCC2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592436080 1173887638 /nfs/dbraw/zinc/88/76/38/1173887638.db2.gz HCJJEPAOPZCCLE-UHFFFAOYSA-N -1 1 288.355 1.621 20 0 CDADMM Cc1nn(C)c(NC(=O)c2ccoc2C)c1-c1nnn[n-]1 ZINC001592432619 1173888856 /nfs/dbraw/zinc/88/88/56/1173888856.db2.gz DWAKTSNRMOFGTF-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1nn(C)c(NC(=O)c2ccoc2C)c1-c1nn[n-]n1 ZINC001592432619 1173888862 /nfs/dbraw/zinc/88/88/62/1173888862.db2.gz DWAKTSNRMOFGTF-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1COC(C)(C)C1 ZINC001592503856 1173907792 /nfs/dbraw/zinc/90/77/92/1173907792.db2.gz YYTKLBNXHRFFAE-MRVPVSSYSA-N -1 1 291.311 1.065 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1COC(C)(C)C1 ZINC001592503856 1173907795 /nfs/dbraw/zinc/90/77/95/1173907795.db2.gz YYTKLBNXHRFFAE-MRVPVSSYSA-N -1 1 291.311 1.065 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@H]1CC[C@H](C)O1 ZINC001592500721 1173908068 /nfs/dbraw/zinc/90/80/68/1173908068.db2.gz BNXSQEXJRMDLOB-IONNQARKSA-N -1 1 291.311 1.065 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@H]1CC[C@H](C)O1 ZINC001592500721 1173908073 /nfs/dbraw/zinc/90/80/73/1173908073.db2.gz BNXSQEXJRMDLOB-IONNQARKSA-N -1 1 291.311 1.065 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@H]1CCCCO1 ZINC001592503453 1173908302 /nfs/dbraw/zinc/90/83/02/1173908302.db2.gz UXEPXPZIAHWOPH-VIFPVBQESA-N -1 1 291.311 1.067 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@H]1CCCCO1 ZINC001592503453 1173908308 /nfs/dbraw/zinc/90/83/08/1173908308.db2.gz UXEPXPZIAHWOPH-VIFPVBQESA-N -1 1 291.311 1.067 20 0 CDADMM FC1(C2CC2)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001592627498 1173935378 /nfs/dbraw/zinc/93/53/78/1173935378.db2.gz GXYMTWHZYQOKDL-UHFFFAOYSA-N -1 1 289.318 1.375 20 0 CDADMM FC1(C2CC2)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001592627498 1173935382 /nfs/dbraw/zinc/93/53/82/1173935382.db2.gz GXYMTWHZYQOKDL-UHFFFAOYSA-N -1 1 289.318 1.375 20 0 CDADMM FC1(F)CC[C@@H](Nc2ncncc2-c2nn[n-]n2)C1 ZINC001592627650 1173935813 /nfs/dbraw/zinc/93/58/13/1173935813.db2.gz AEZAGVBRGLVUDI-ZCFIWIBFSA-N -1 1 267.243 1.256 20 0 CDADMM FCC1(CNc2cccc(-c3nnn[n-]3)n2)CCOCC1 ZINC001592632233 1173942155 /nfs/dbraw/zinc/94/21/55/1173942155.db2.gz SQOYECKPSNPNHI-UHFFFAOYSA-N -1 1 292.318 1.440 20 0 CDADMM FCC1(CNc2cccc(-c3nn[n-]n3)n2)CCOCC1 ZINC001592632233 1173942172 /nfs/dbraw/zinc/94/21/72/1173942172.db2.gz SQOYECKPSNPNHI-UHFFFAOYSA-N -1 1 292.318 1.440 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001592914706 1174004331 /nfs/dbraw/zinc/00/43/31/1174004331.db2.gz GBDQLQMAVZHLCG-IJLUTSLNSA-N -1 1 298.350 1.109 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001592914706 1174004333 /nfs/dbraw/zinc/00/43/33/1174004333.db2.gz GBDQLQMAVZHLCG-IJLUTSLNSA-N -1 1 298.350 1.109 20 0 CDADMM O=C(NCC1=CCCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593021533 1174013207 /nfs/dbraw/zinc/01/32/07/1174013207.db2.gz IRUDNMCOXFLSLW-UHFFFAOYSA-N -1 1 285.311 1.494 20 0 CDADMM O=C(NCC1=CCCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593021533 1174013214 /nfs/dbraw/zinc/01/32/14/1174013214.db2.gz IRUDNMCOXFLSLW-UHFFFAOYSA-N -1 1 285.311 1.494 20 0 CDADMM O=C(NCC[C@@H]1CC[C@H]2C[C@H]21)c1ccc(-c2nnn[n-]2)o1 ZINC001593065390 1174021088 /nfs/dbraw/zinc/02/10/88/1174021088.db2.gz RICYNQWVNDZKQJ-GUBZILKMSA-N -1 1 287.323 1.626 20 0 CDADMM O=C(NCC[C@@H]1CC[C@H]2C[C@H]21)c1ccc(-c2nn[n-]n2)o1 ZINC001593065390 1174021095 /nfs/dbraw/zinc/02/10/95/1174021095.db2.gz RICYNQWVNDZKQJ-GUBZILKMSA-N -1 1 287.323 1.626 20 0 CDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)C(F)=C1CCC1 ZINC001593147356 1174027481 /nfs/dbraw/zinc/02/74/81/1174027481.db2.gz NQEWRQYESSMQQB-UHFFFAOYSA-N -1 1 288.286 1.285 20 0 CDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)C(F)=C1CCC1 ZINC001593147356 1174027486 /nfs/dbraw/zinc/02/74/86/1174027486.db2.gz NQEWRQYESSMQQB-UHFFFAOYSA-N -1 1 288.286 1.285 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H]1CC2CCC1CC2 ZINC001593197605 1174031208 /nfs/dbraw/zinc/03/12/08/1174031208.db2.gz NDKJDROIFWVFCD-HACHORDNSA-N -1 1 287.327 1.355 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H]1CC2CCC1CC2 ZINC001593197605 1174031213 /nfs/dbraw/zinc/03/12/13/1174031213.db2.gz NDKJDROIFWVFCD-HACHORDNSA-N -1 1 287.327 1.355 20 0 CDADMM O=C(Nc1cccnc1Cl)c1coc(-c2nnn[n-]2)c1 ZINC001593254652 1174040654 /nfs/dbraw/zinc/04/06/54/1174040654.db2.gz ORTYPFHFGHQNEX-UHFFFAOYSA-N -1 1 290.670 1.760 20 0 CDADMM O=C(Nc1cccnc1Cl)c1coc(-c2nn[n-]n2)c1 ZINC001593254652 1174040662 /nfs/dbraw/zinc/04/06/62/1174040662.db2.gz ORTYPFHFGHQNEX-UHFFFAOYSA-N -1 1 290.670 1.760 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001593260520 1174042033 /nfs/dbraw/zinc/04/20/33/1174042033.db2.gz MDMHZZWGKIPRBR-AYMMMOKOSA-N -1 1 287.327 1.355 20 0 CDADMM O=C(Nc1cn[nH]c1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001593261614 1174043024 /nfs/dbraw/zinc/04/30/24/1174043024.db2.gz XRZKCSLXRXLPNX-UHFFFAOYSA-N -1 1 291.221 1.120 20 0 CDADMM O=C(Nc1cn[nH]c1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001593261614 1174043031 /nfs/dbraw/zinc/04/30/31/1174043031.db2.gz XRZKCSLXRXLPNX-UHFFFAOYSA-N -1 1 291.221 1.120 20 0 CDADMM O=C(OCCCCCCO)c1ccsc1-c1nnn[n-]1 ZINC001593287765 1174053697 /nfs/dbraw/zinc/05/36/97/1174053697.db2.gz PQDQSLCKRLCTIG-UHFFFAOYSA-N -1 1 296.352 1.638 20 0 CDADMM O=C(OCCCCCCO)c1ccsc1-c1nn[n-]n1 ZINC001593287765 1174053708 /nfs/dbraw/zinc/05/37/08/1174053708.db2.gz PQDQSLCKRLCTIG-UHFFFAOYSA-N -1 1 296.352 1.638 20 0 CDADMM O=C(OCCc1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC001593292948 1174056524 /nfs/dbraw/zinc/05/65/24/1174056524.db2.gz NYODQJOCSDQMPJ-UHFFFAOYSA-N -1 1 295.302 1.661 20 0 CDADMM O=C(OCCc1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC001593292948 1174056528 /nfs/dbraw/zinc/05/65/28/1174056528.db2.gz NYODQJOCSDQMPJ-UHFFFAOYSA-N -1 1 295.302 1.661 20 0 CDADMM O=C(NC1CCC(=O)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC001593389635 1174075084 /nfs/dbraw/zinc/07/50/84/1174075084.db2.gz BAEBRZMTMBXLPW-UHFFFAOYSA-N -1 1 291.336 1.170 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1CCC1SCCS1 ZINC001593496794 1174086204 /nfs/dbraw/zinc/08/62/04/1174086204.db2.gz YBLNSQCEZTXNJU-UHFFFAOYSA-N -1 1 295.393 1.225 20 0 CDADMM O=c1c(-c2nn[n-]n2)c2c(cn1C/C=C/Cl)CCC2 ZINC001593492926 1174087864 /nfs/dbraw/zinc/08/78/64/1174087864.db2.gz ZOIBJFBAPWRSDE-GORDUTHDSA-N -1 1 277.715 1.270 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2C[C@@H](C3CC3)[C@H]2C2CC2)c1 ZINC001593550339 1174121230 /nfs/dbraw/zinc/12/12/30/1174121230.db2.gz RONDVISNHBQNBI-SMDDNHRTSA-N -1 1 282.351 1.887 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2C[C@@H](C3CC3)[C@H]2C2CC2)c1 ZINC001593550339 1174121233 /nfs/dbraw/zinc/12/12/33/1174121233.db2.gz RONDVISNHBQNBI-SMDDNHRTSA-N -1 1 282.351 1.887 20 0 CDADMM c1cc(C2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)no1 ZINC001593550052 1174122452 /nfs/dbraw/zinc/12/24/52/1174122452.db2.gz MKYCDXNFDXYYAH-UHFFFAOYSA-N -1 1 297.322 1.634 20 0 CDADMM c1cc(C2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)no1 ZINC001593550052 1174122455 /nfs/dbraw/zinc/12/24/55/1174122455.db2.gz MKYCDXNFDXYYAH-UHFFFAOYSA-N -1 1 297.322 1.634 20 0 CDADMM c1cc(-c2nnn[n-]2)ncc1Cc1nc(C2CC2)no1 ZINC001593551242 1174124322 /nfs/dbraw/zinc/12/43/22/1174124322.db2.gz JNVASQFGVVLBAD-UHFFFAOYSA-N -1 1 269.268 1.113 20 0 CDADMM c1cc(-c2nn[n-]n2)ncc1Cc1nc(C2CC2)no1 ZINC001593551242 1174124326 /nfs/dbraw/zinc/12/43/26/1174124326.db2.gz JNVASQFGVVLBAD-UHFFFAOYSA-N -1 1 269.268 1.113 20 0 CDADMM c1cc(N2C[C@@H](C3CC3)[C@@H]2C2CC2)nnc1-c1nnn[n-]1 ZINC001593557669 1174132026 /nfs/dbraw/zinc/13/20/26/1174132026.db2.gz QXYKFAMJJVMCFR-GWCFXTLKSA-N -1 1 283.339 1.282 20 0 CDADMM c1cc(N2C[C@@H](C3CC3)[C@@H]2C2CC2)nnc1-c1nn[n-]n1 ZINC001593557669 1174132036 /nfs/dbraw/zinc/13/20/36/1174132036.db2.gz QXYKFAMJJVMCFR-GWCFXTLKSA-N -1 1 283.339 1.282 20 0 CDADMM c1cc(N[C@@H]2CC23CCOCC3)nc(-c2nnn[n-]2)c1 ZINC001593558058 1174132948 /nfs/dbraw/zinc/13/29/48/1174132948.db2.gz HNDGQBFQKMNJAV-SNVBAGLBSA-N -1 1 272.312 1.243 20 0 CDADMM c1cc(N[C@@H]2CC23CCOCC3)nc(-c2nn[n-]n2)c1 ZINC001593558058 1174132953 /nfs/dbraw/zinc/13/29/53/1174132953.db2.gz HNDGQBFQKMNJAV-SNVBAGLBSA-N -1 1 272.312 1.243 20 0 CDADMM c1ccc(Sc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001593577196 1174144833 /nfs/dbraw/zinc/14/48/33/1174144833.db2.gz AOMGRYNXACFYHZ-UHFFFAOYSA-N -1 1 256.294 1.808 20 0 CDADMM c1ccc(Sc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001593577196 1174144836 /nfs/dbraw/zinc/14/48/36/1174144836.db2.gz AOMGRYNXACFYHZ-UHFFFAOYSA-N -1 1 256.294 1.808 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC001593583205 1174150521 /nfs/dbraw/zinc/15/05/21/1174150521.db2.gz RLJFOFMIQWSSMO-KXUCPTDWSA-N -1 1 271.328 1.505 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC001593583205 1174150527 /nfs/dbraw/zinc/15/05/27/1174150527.db2.gz RLJFOFMIQWSSMO-KXUCPTDWSA-N -1 1 271.328 1.505 20 0 CDADMM c1sc(CN2Cc3cccnc3C2)nc1-c1nnn[n-]1 ZINC001593587658 1174154977 /nfs/dbraw/zinc/15/49/77/1174154977.db2.gz NZAGKIGWOMVHBI-UHFFFAOYSA-N -1 1 285.336 1.234 20 0 CDADMM c1sc(CN2Cc3cccnc3C2)nc1-c1nn[n-]n1 ZINC001593587658 1174154981 /nfs/dbraw/zinc/15/49/81/1174154981.db2.gz NZAGKIGWOMVHBI-UHFFFAOYSA-N -1 1 285.336 1.234 20 0 CDADMM c1cnc2ccc(Oc3cnc(-c4nnn[n-]4)cn3)cc2c1 ZINC001593587799 1174155462 /nfs/dbraw/zinc/15/54/62/1174155462.db2.gz QKMJAJTXSWBEAE-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1cnc2ccc(Oc3cnc(-c4nn[n-]n4)cn3)cc2c1 ZINC001593587799 1174155465 /nfs/dbraw/zinc/15/54/65/1174155465.db2.gz QKMJAJTXSWBEAE-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1Cn1cc(C2CCC2)cn1 ZINC001593593136 1174159053 /nfs/dbraw/zinc/15/90/53/1174159053.db2.gz LPPQRXSVDIRTHT-UHFFFAOYSA-N -1 1 270.296 1.972 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1Cn1cc(C2CCC2)cn1 ZINC001593593136 1174159057 /nfs/dbraw/zinc/15/90/57/1174159057.db2.gz LPPQRXSVDIRTHT-UHFFFAOYSA-N -1 1 270.296 1.972 20 0 CDADMM c1nc(N2CCC[C@H](C3CC3)C2)cnc1-c1nnn[n-]1 ZINC001593592029 1174159838 /nfs/dbraw/zinc/15/98/38/1174159838.db2.gz ZYTZNDOUAWMRSP-JTQLQIEISA-N -1 1 271.328 1.283 20 0 CDADMM c1nc(N2CCC[C@H](C3CC3)C2)cnc1-c1nn[n-]n1 ZINC001593592029 1174159840 /nfs/dbraw/zinc/15/98/40/1174159840.db2.gz ZYTZNDOUAWMRSP-JTQLQIEISA-N -1 1 271.328 1.283 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NC1C[C@H]2CC[C@@H](C1)S2 ZINC001593594888 1174165309 /nfs/dbraw/zinc/16/53/09/1174165309.db2.gz JHTMLWZJWAUDJX-CBLAIPOGSA-N -1 1 289.368 1.495 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NC1C[C@H]2CC[C@@H](C1)S2 ZINC001593594888 1174165314 /nfs/dbraw/zinc/16/53/14/1174165314.db2.gz JHTMLWZJWAUDJX-CBLAIPOGSA-N -1 1 289.368 1.495 20 0 CDADMM Cc1cc(NC(=O)c2ncccc2O)nc(C)c1C(=O)[O-] ZINC001600277038 1174435340 /nfs/dbraw/zinc/43/53/40/1174435340.db2.gz NJXYOJMZFQVHDH-UHFFFAOYSA-N -1 1 287.275 1.750 20 0 CDADMM Cc1ccc(NC(=O)CCCc2nn[nH]n2)cc1C(=O)[O-] ZINC001600447180 1174478620 /nfs/dbraw/zinc/47/86/20/1174478620.db2.gz VXSZLPWXUODVFV-UHFFFAOYSA-N -1 1 289.295 1.168 20 0 CDADMM Cc1ccccc1[C@@H](C)N(C)CC(=O)NCCC(=O)[O-] ZINC001600587665 1174515728 /nfs/dbraw/zinc/51/57/28/1174515728.db2.gz IMZLGCAKOBBKNH-GFCCVEGCSA-N -1 1 278.352 1.579 20 0 CDADMM Cc1nn(C(C)C)c(C)c1CN1CC(C)(C(=O)[O-])C1 ZINC001600766401 1174602062 /nfs/dbraw/zinc/60/20/62/1174602062.db2.gz MGGDCYVLZPNSKV-UHFFFAOYSA-N -1 1 265.357 1.987 20 0 CDADMM Cn1nncc1CNc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001621026196 1174646503 /nfs/dbraw/zinc/64/65/03/1174646503.db2.gz ABZKQUQMFBSXLM-UHFFFAOYSA-N -1 1 270.296 1.319 20 0 CDADMM Cn1cc(CN[C@H](CO)c2cccc(F)c2)cc1C(=O)[O-] ZINC001600953494 1174678909 /nfs/dbraw/zinc/67/89/09/1174678909.db2.gz XEEYLWFYQXXTHW-CYBMUJFWSA-N -1 1 292.310 1.686 20 0 CDADMM N[C@@H](c1cn(CCCCC(=O)[O-])nn1)c1ccccc1 ZINC001601176374 1174773620 /nfs/dbraw/zinc/77/36/20/1174773620.db2.gz PCQBLYVCOSAVJM-CQSZACIVSA-N -1 1 274.324 1.581 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2ccc(F)c(F)c2O)c[nH]1 ZINC001601606330 1174912864 /nfs/dbraw/zinc/91/28/64/1174912864.db2.gz FHSCPAVKLHICQO-UHFFFAOYSA-N -1 1 282.202 1.949 20 0 CDADMM O=C([O-])[C@@H](c1ccccc1)N1CCN2C(=O)OCC[C@@H]2C1 ZINC001601696618 1174949111 /nfs/dbraw/zinc/94/91/11/1174949111.db2.gz SIGIPABJPJUABR-CHWSQXEVSA-N -1 1 290.319 1.339 20 0 CDADMM O=C([O-])C1=NO[C@]2(CC[N@@H+](C[C@@H]3C[C@@H]4CCC[C@@H]4O3)C2)C1 ZINC001601742263 1174977972 /nfs/dbraw/zinc/97/79/72/1174977972.db2.gz CIHAPJMEGNLPAN-TZQJONAQSA-N -1 1 294.351 1.249 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1ccc(F)c2ccccc12 ZINC001601772574 1174998877 /nfs/dbraw/zinc/99/88/77/1174998877.db2.gz LRCUZYHNEBUTNY-ABAIWWIYSA-N -1 1 289.306 1.999 20 0 CDADMM O=C([O-])[C@H]1CCCCCN1C(=O)c1cnc(C2CC2)[nH]1 ZINC001601810817 1175019751 /nfs/dbraw/zinc/01/97/51/1175019751.db2.gz FWJDKBGIOPSNHU-LLVKDONJSA-N -1 1 277.324 1.757 20 0 CDADMM O=C([O-])/C=C/c1ccc(CNCCn2cccn2)o1 ZINC001601878934 1175047507 /nfs/dbraw/zinc/04/75/07/1175047507.db2.gz LAXQNDOBZBLQFR-SNAWJCMRSA-N -1 1 261.281 1.364 20 0 CDADMM O=C([O-])/C=C\c1ccc(CN2CC[C@@]3(O)C[C@H]3C2)o1 ZINC001601880174 1175049185 /nfs/dbraw/zinc/04/91/85/1175049185.db2.gz RYNGJPJCCGZBKF-XARCYLTPSA-N -1 1 263.293 1.334 20 0 CDADMM O=C([O-])C[C@@]1(NCc2cc(F)ncc2F)CCOC1 ZINC001601936109 1175073668 /nfs/dbraw/zinc/07/36/68/1175073668.db2.gz KNWLRODPZUBORR-LBPRGKRZSA-N -1 1 272.251 1.083 20 0 CDADMM O=C([O-])CC[N@@H+](CC(=O)[O-])Cc1ccc2ncccc2c1 ZINC001602004585 1175108004 /nfs/dbraw/zinc/10/80/04/1175108004.db2.gz GRYUDCLZUOYXSL-UHFFFAOYSA-N -1 1 288.303 1.596 20 0 CDADMM O=C([O-])c1ccc(CC(=O)N2CC(N3CCCC3)C2)cc1 ZINC001602333261 1175208990 /nfs/dbraw/zinc/20/89/90/1175208990.db2.gz RBUMORJSOLXTEX-UHFFFAOYSA-N -1 1 288.347 1.234 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)C34CC(C3)C4)[nH]c21 ZINC001602454166 1175246025 /nfs/dbraw/zinc/24/60/25/1175246025.db2.gz KHKZQPPNEVPYON-UHFFFAOYSA-N -1 1 271.276 2.000 20 0 CDADMM O=C([O-])c1ccccc1CN1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC001602468863 1175250441 /nfs/dbraw/zinc/25/04/41/1175250441.db2.gz QNAKATKNSMQWNY-LSDHHAIUSA-N -1 1 291.347 1.765 20 0 CDADMM O=C([O-])c1cn(CN2CC[C@@]3(CCc4ccccc43)C2)nn1 ZINC001602505511 1175262312 /nfs/dbraw/zinc/26/23/12/1175262312.db2.gz QUBCWRBZCIDIEO-INIZCTEOSA-N -1 1 298.346 1.524 20 0 CDADMM O=C([O-])c1cnc(CNC[C@@H](O)c2ccc(F)cc2)s1 ZINC001602521080 1175269320 /nfs/dbraw/zinc/26/93/20/1175269320.db2.gz JYAZQKWGQJOBRO-SNVBAGLBSA-N -1 1 296.323 1.804 20 0 CDADMM CC(C)=CC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001603185705 1175511031 /nfs/dbraw/zinc/51/10/31/1175511031.db2.gz UFNWWXKCDYCVRV-UHFFFAOYSA-N -1 1 263.326 1.511 20 0 CDADMM C[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001603221214 1175518008 /nfs/dbraw/zinc/51/80/08/1175518008.db2.gz NTGHCOKDGMHLQO-OPRDCNLKSA-N -1 1 257.330 1.512 20 0 CDADMM CC(C)[C@H](Nc1cnc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001603230935 1175520693 /nfs/dbraw/zinc/52/06/93/1175520693.db2.gz GHNHIQZYYFDNJS-LBPRGKRZSA-N -1 1 299.342 1.199 20 0 CDADMM CC(C)[C@H](Nc1cnc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001603230935 1175520697 /nfs/dbraw/zinc/52/06/97/1175520697.db2.gz GHNHIQZYYFDNJS-LBPRGKRZSA-N -1 1 299.342 1.199 20 0 CDADMM CC(C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001603246712 1175526658 /nfs/dbraw/zinc/52/66/58/1175526658.db2.gz VUPSLHWIJCOOBC-UHFFFAOYSA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)(C)[C@@H](NC(=O)c1cc(F)cc(F)c1O)C(=O)[O-] ZINC001603309268 1175537436 /nfs/dbraw/zinc/53/74/36/1175537436.db2.gz ZDUKRJKEXKSPJO-JTQLQIEISA-N -1 1 287.262 1.900 20 0 CDADMM CC(C)(C)[C@@H]1CCCN(Cn2cnc(C(=O)[O-])n2)C1 ZINC001603318866 1175538343 /nfs/dbraw/zinc/53/83/43/1175538343.db2.gz DLISGCWMJLOHLK-SNVBAGLBSA-N -1 1 266.345 1.692 20 0 CDADMM CC(C)OCCCNc1ccnc(-c2nnn[n-]2)c1 ZINC001603353560 1175546818 /nfs/dbraw/zinc/54/68/18/1175546818.db2.gz BRWOSOZPNDSUSK-UHFFFAOYSA-N -1 1 262.317 1.489 20 0 CDADMM CC(C)OCCCNc1ccnc(-c2nn[n-]n2)c1 ZINC001603353560 1175546821 /nfs/dbraw/zinc/54/68/21/1175546821.db2.gz BRWOSOZPNDSUSK-UHFFFAOYSA-N -1 1 262.317 1.489 20 0 CDADMM C[C@H](CCO)Sc1ccnc(-c2nnn[n-]2)c1 ZINC001603495486 1175558798 /nfs/dbraw/zinc/55/87/98/1175558798.db2.gz QLDQQWLKBMEXQC-SSDOTTSWSA-N -1 1 251.315 1.125 20 0 CDADMM C[C@H](CCO)Sc1ccnc(-c2nn[n-]n2)c1 ZINC001603495486 1175558804 /nfs/dbraw/zinc/55/88/04/1175558804.db2.gz QLDQQWLKBMEXQC-SSDOTTSWSA-N -1 1 251.315 1.125 20 0 CDADMM CC(C)CCCC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001603790558 1175631801 /nfs/dbraw/zinc/63/18/01/1175631801.db2.gz FXTMREGQYNYHPK-CYBMUJFWSA-N -1 1 284.400 1.820 20 0 CDADMM CC1=CCCN(c2cc(-c3nnn[n-]3)nc(C)n2)C1 ZINC001603828253 1175646394 /nfs/dbraw/zinc/64/63/94/1175646394.db2.gz PSQWTUYSOSKOSW-UHFFFAOYSA-N -1 1 257.301 1.122 20 0 CDADMM CC1=CCCN(c2cc(-c3nn[n-]n3)nc(C)n2)C1 ZINC001603828253 1175646400 /nfs/dbraw/zinc/64/64/00/1175646400.db2.gz PSQWTUYSOSKOSW-UHFFFAOYSA-N -1 1 257.301 1.122 20 0 CDADMM C[C@@H]1CC[C@@H](COc2cccc(F)c2-c2nnn[n-]2)O1 ZINC001603878743 1175666298 /nfs/dbraw/zinc/66/62/98/1175666298.db2.gz YTXCGOLJWCJVCR-BDAKNGLRSA-N -1 1 278.287 1.952 20 0 CDADMM C[C@@H]1CC[C@@H](COc2cccc(F)c2-c2nn[n-]n2)O1 ZINC001603878743 1175666303 /nfs/dbraw/zinc/66/63/03/1175666303.db2.gz YTXCGOLJWCJVCR-BDAKNGLRSA-N -1 1 278.287 1.952 20 0 CDADMM C[C@@H]1CCC[C@@H]1CNc1ncncc1-c1nn[n-]n1 ZINC001603890997 1175672838 /nfs/dbraw/zinc/67/28/38/1175672838.db2.gz SFVCNSUQGKPNMB-RKDXNWHRSA-N -1 1 259.317 1.505 20 0 CDADMM CC(C)N1CCC[C@H](N[C@](C)(CCF)C(=O)[O-])C1=O ZINC001603893510 1175673113 /nfs/dbraw/zinc/67/31/13/1175673113.db2.gz KXVVNAVBXYNFGT-GXFFZTMASA-N -1 1 274.336 1.178 20 0 CDADMM C[C@H]1CCCCCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603889641 1175673642 /nfs/dbraw/zinc/67/36/42/1175673642.db2.gz FHXYWTZXMBCIEQ-JTQLQIEISA-N -1 1 286.339 1.666 20 0 CDADMM C[C@H]1CCCCCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603889641 1175673648 /nfs/dbraw/zinc/67/36/48/1175673648.db2.gz FHXYWTZXMBCIEQ-JTQLQIEISA-N -1 1 286.339 1.666 20 0 CDADMM C[C@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)CC[C@@H]1C ZINC001603903335 1175678550 /nfs/dbraw/zinc/67/85/50/1175678550.db2.gz KTXVABJQUHBEQJ-IUCAKERBSA-N -1 1 275.312 1.578 20 0 CDADMM 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CC1=C(C(=O)[O-])C[C@H](CN2CCO[C@]3(CCO[C@H]3C)C2)O1 ZINC001594104046 998146116 /nfs/dbraw/zinc/14/61/16/998146116.db2.gz HUDCFCLKNFUXPR-YWPYICTPSA-N -1 1 297.351 1.014 20 0 CDADMM COC[C@](C)(NCc1ccsc1C(=O)OC)C(=O)[O-] ZINC001599154521 998348651 /nfs/dbraw/zinc/34/86/51/998348651.db2.gz ZQPCSOAOLKAECC-LBPRGKRZSA-N -1 1 287.337 1.114 20 0 CDADMM CC/C=C(/C)C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001605182054 1163478794 /nfs/dbraw/zinc/47/87/94/1163478794.db2.gz KJOUOFDDHKYPAU-QJGQKNTRSA-N -1 1 268.357 1.350 20 0 CDADMM COC[C@H](N[C@H](C)c1ccc(C(=O)[O-])o1)[C@H]1CCCO1 ZINC001599172352 998624799 /nfs/dbraw/zinc/62/47/99/998624799.db2.gz CSNOWWZNXMVBLO-JFGNBEQYSA-N -1 1 283.324 1.822 20 0 CDADMM C[C@@H]1[C@@H](C)N(C(=O)/C=C/c2ccc(C(=O)[O-])o2)CCN1C ZINC001594177452 998688667 /nfs/dbraw/zinc/68/86/67/998688667.db2.gz XTECEWIHOCAYKQ-HOGLGZINSA-N -1 1 292.335 1.542 20 0 CDADMM CC1CC(CNC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)C1 ZINC001594239717 998915508 /nfs/dbraw/zinc/91/55/08/998915508.db2.gz 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/nfs/dbraw/zinc/70/70/09/1163707009.db2.gz PRXGFTRPWOACDA-UHFFFAOYSA-N -1 1 274.309 1.850 20 0 CDADMM Cc1ccc(CNc2cc(-c3nn[n-]n3)nc(C)n2)s1 ZINC001606075800 1163764341 /nfs/dbraw/zinc/76/43/41/1163764341.db2.gz BKWIWVCTEMTNLK-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1ncsc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001606104310 1163774494 /nfs/dbraw/zinc/77/44/94/1163774494.db2.gz MJXOQWWOYMWVMW-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1ncsc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001606104310 1163774500 /nfs/dbraw/zinc/77/45/00/1163774500.db2.gz MJXOQWWOYMWVMW-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM CN(CCn1cccn1)Cc1ccc(C(=O)[O-])n1C ZINC001606141162 1163785267 /nfs/dbraw/zinc/78/52/67/1163785267.db2.gz GLNFWZQURDMJQJ-UHFFFAOYSA-N -1 1 262.313 1.052 20 0 CDADMM Cc1nsc(NC[C@@H]2C[C@@H]2C)c1-c1nn[n-]n1 ZINC001606157997 1163791761 /nfs/dbraw/zinc/79/17/61/1163791761.db2.gz CRGZJHVHRSDEPZ-FSPLSTOPSA-N -1 1 250.331 1.700 20 0 CDADMM Clc1sc(N2CC3(C2)CCOC3)nc1-c1nn[n-]n1 ZINC001592541737 1173915543 /nfs/dbraw/zinc/91/55/43/1173915543.db2.gz MGJVKEBYEDYBSM-UHFFFAOYSA-N -1 1 298.759 1.203 20 0 CDADMM c1cc(CNc2cccc(-c3nnn[n-]3)n2)sn1 ZINC001593561336 1174136499 /nfs/dbraw/zinc/13/64/99/1174136499.db2.gz PHMRPTQOQGKSBD-UHFFFAOYSA-N -1 1 259.298 1.330 20 0 CDADMM c1cc(CNc2cccc(-c3nn[n-]n3)n2)sn1 ZINC001593561336 1174136507 /nfs/dbraw/zinc/13/65/07/1174136507.db2.gz PHMRPTQOQGKSBD-UHFFFAOYSA-N -1 1 259.298 1.330 20 0 CDADMM CC(C)C[C@H](CNCc1nccn1C)NC(=O)[O-] ZINC001573502916 1170676135 /nfs/dbraw/zinc/67/61/35/1170676135.db2.gz QJKWOZFJOVLWBG-SNVBAGLBSA-N -1 1 254.334 1.192 20 0 CDADMM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1cccc(F)c1O ZINC001573601329 1170703796 /nfs/dbraw/zinc/70/37/96/1170703796.db2.gz NTICJUGMGXZZBC-IINYFYTJSA-N -1 1 281.283 1.905 20 0 CDADMM Cc1cc(=O)[n-]c(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)[O-])C2)n1 ZINC001574143444 1170895608 /nfs/dbraw/zinc/89/56/08/1170895608.db2.gz FHHBDMFJLSCNLM-MNOVXSKESA-N -1 1 294.355 1.359 20 0 CDADMM Cn1ccc(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)n1 ZINC000589689934 342512526 /nfs/dbraw/zinc/51/25/26/342512526.db2.gz XANRCWCCEOWBLL-UHFFFAOYSA-N -1 1 273.321 1.546 20 0 CDADMM Cn1ncc(C2CC2)c1CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000618553302 349480988 /nfs/dbraw/zinc/48/09/88/349480988.db2.gz QXWMZHUXMMKAIE-UHFFFAOYSA-N -1 1 299.330 1.502 20 0 CDADMM C[C@H](CN=c1nc(-c2ccccc2)[n-]s1)S(C)(=O)=O ZINC000533128697 282093102 /nfs/dbraw/zinc/09/31/02/282093102.db2.gz TXEPWNBZTRFLEU-SECBINFHSA-N -1 1 297.405 1.472 20 0 CDADMM CC[C@@H]1CN(c2ccnc(C(=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000650766517 398188269 /nfs/dbraw/zinc/18/82/69/398188269.db2.gz MXPPLJBKRZJQTN-VXGBXAGGSA-N -1 1 293.367 1.061 20 0 CDADMM C[C@@H]1C[C@@H](CC(=O)NCc2nn[n-]n2)CC(C)(C)C1 ZINC000095159409 342561136 /nfs/dbraw/zinc/56/11/36/342561136.db2.gz INXSUZCMZRJGKF-ZJUUUORDSA-N -1 1 265.361 1.668 20 0 CDADMM COC[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000226654006 398226156 /nfs/dbraw/zinc/22/61/56/398226156.db2.gz JTZZLURCISAXCS-SNVBAGLBSA-N -1 1 250.298 1.286 20 0 CDADMM CSc1n[nH]c(NC(=O)[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)n1 ZINC000624924020 342022126 /nfs/dbraw/zinc/02/21/26/342022126.db2.gz IWADDJWPCXVTLV-YWIQKCBGSA-N -1 1 270.358 1.525 20 0 CDADMM C[C@@H](O)CNC(=O)N=c1[n-]sc2ccccc21 ZINC000640339136 361793179 /nfs/dbraw/zinc/79/31/79/361793179.db2.gz MADMIWKEUDZYNB-SSDOTTSWSA-N -1 1 251.311 1.221 20 0 CDADMM CCn1cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)cn1 ZINC000354649960 365606141 /nfs/dbraw/zinc/60/61/41/365606141.db2.gz WVSXYKFTLVUSPQ-UHFFFAOYSA-N -1 1 297.302 1.666 20 0 CDADMM Cc1[nH+][n-]c2nnc(NC(=O)c3ccccc3[O-])c-2c1C ZINC000599276135 343995739 /nfs/dbraw/zinc/99/57/39/343995739.db2.gz QHEONYLBRQAGAG-UHFFFAOYSA-N -1 1 283.291 1.928 20 0 CDADMM CCn1ccc(CNC(=O)c2cc(F)ccc2[O-])n1 ZINC000622703113 342092203 /nfs/dbraw/zinc/09/22/03/342092203.db2.gz QBSQPJFYXDMJMB-UHFFFAOYSA-N -1 1 263.272 1.678 20 0 CDADMM CCn1ccc(CNC(=O)c2c(F)ccc([O-])c2F)n1 ZINC000622703098 342092211 /nfs/dbraw/zinc/09/22/11/342092211.db2.gz PSGXJAIHEKMXHG-UHFFFAOYSA-N -1 1 281.262 1.817 20 0 CDADMM CC(C)(NC(=O)c1cccc(-n2ccnc2)c1)c1nn[n-]n1 ZINC000354772474 365682014 /nfs/dbraw/zinc/68/20/14/365682014.db2.gz LUQMRXMNPROYMT-UHFFFAOYSA-N -1 1 297.322 1.051 20 0 CDADMM COCCN(CCO)C(=O)N=c1[n-]sc2ccccc21 ZINC000640341782 361840105 /nfs/dbraw/zinc/84/01/05/361840105.db2.gz YFUCTXSHRDTIRN-UHFFFAOYSA-N -1 1 295.364 1.191 20 0 CDADMM C[C@@H](CN(C)C(=O)c1ccc(F)cc1)c1nn[n-]n1 ZINC000095243342 342237585 /nfs/dbraw/zinc/23/75/85/342237585.db2.gz HEAJKSXMHRXKHB-QMMMGPOBSA-N -1 1 263.276 1.215 20 0 CDADMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@H](C)CCC)nc2n1 ZINC000622995606 342275035 /nfs/dbraw/zinc/27/50/35/342275035.db2.gz IPIJWEZWVMMARK-SECBINFHSA-N -1 1 291.355 1.745 20 0 CDADMM O=C(CCSc1ccc(F)cc1)NCc1nn[n-]n1 ZINC000044927836 342276776 /nfs/dbraw/zinc/27/67/76/342276776.db2.gz AMQOAJOGHZBOBF-UHFFFAOYSA-N -1 1 281.316 1.137 20 0 CDADMM CCOc1ccc2c(c1)[C@@H](NC(=O)c1cnn[nH]1)CCO2 ZINC000185641190 539147072 /nfs/dbraw/zinc/14/70/72/539147072.db2.gz XXJGFORIJTULEQ-NSHDSACASA-N -1 1 288.307 1.457 20 0 CDADMM CC(C)(NC(=O)c1coc(-c2ccccc2)n1)c1nn[n-]n1 ZINC000354783916 365689350 /nfs/dbraw/zinc/68/93/50/365689350.db2.gz GJCQBNLQRKEWQE-UHFFFAOYSA-N -1 1 298.306 1.520 20 0 CDADMM O=C(NCc1nn[n-]n1)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000599344422 344015014 /nfs/dbraw/zinc/01/50/14/344015014.db2.gz KORHTOVYQQMGQI-BDAKNGLRSA-N -1 1 277.715 1.273 20 0 CDADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@]23C[C@H]2CCC3)o1 ZINC000594804205 342959008 /nfs/dbraw/zinc/95/90/08/342959008.db2.gz QNKRKSVCNPPELG-NOZJJQNGSA-N -1 1 299.348 1.677 20 0 CDADMM C[C@@H]1CCCC[C@H]1OCC(=O)NC(C)(C)c1nn[n-]n1 ZINC000354799122 365698834 /nfs/dbraw/zinc/69/88/34/365698834.db2.gz YZQYVDVRUJWJHN-NXEZZACHSA-N -1 1 281.360 1.146 20 0 CDADMM CC(C)C[C@@H](CNC(=O)[C@@H]1CCCc2[nH]ncc21)C(=O)[O-] ZINC000643865245 362019971 /nfs/dbraw/zinc/01/99/71/362019971.db2.gz IWJHSPMIDIXFJD-WDEREUQCSA-N -1 1 293.367 1.693 20 0 CDADMM O=C(N[C@H](CO)Cc1ccccc1)c1cncc([O-])c1 ZINC000111685715 365705730 /nfs/dbraw/zinc/70/57/30/365705730.db2.gz MTRJTENWBVLOJZ-ZDUSSCGKSA-N -1 1 272.304 1.121 20 0 CDADMM Cc1noc(C2CC2)c1[N-]S(=O)(=O)N1CC[C@H](C)C1 ZINC000329812136 362059714 /nfs/dbraw/zinc/05/97/14/362059714.db2.gz NAZRIKAALJNPTO-QMMMGPOBSA-N -1 1 285.369 1.859 20 0 CDADMM COc1cncc(CN2CCC[C@@H](CCC(=O)[O-])C2)n1 ZINC000629488419 362095788 /nfs/dbraw/zinc/09/57/88/362095788.db2.gz MBHAUGSTTBXRHB-NSHDSACASA-N -1 1 279.340 1.562 20 0 CDADMM Cc1nc2n(n1)CCC[C@H]2NC(=O)c1c([O-])cccc1F ZINC000274583803 365722046 /nfs/dbraw/zinc/72/20/46/365722046.db2.gz AZPPOLZCPOUJAG-SNVBAGLBSA-N -1 1 290.298 1.696 20 0 CDADMM O=C(Nc1ccc(-n2cccn2)nc1)c1cncc([O-])c1 ZINC000111776064 365738979 /nfs/dbraw/zinc/73/89/79/365738979.db2.gz OOIFRYWZBHYYEX-UHFFFAOYSA-N -1 1 281.275 1.620 20 0 CDADMM O=C(CCCc1nn[n-]n1)N[C@H](Cc1ccccc1)C1CC1 ZINC000635583683 362118042 /nfs/dbraw/zinc/11/80/42/362118042.db2.gz KIKNBKSQNQGHTF-CQSZACIVSA-N -1 1 299.378 1.660 20 0 CDADMM O=C(CCCc1nn[n-]n1)Nc1ncc(Cl)s1 ZINC000635610705 362161355 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CCCNC(C)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000048392320 521697670 /nfs/dbraw/zinc/69/76/70/521697670.db2.gz XASUTVUJQYCREZ-KTKRTIGZSA-N -1 1 283.397 1.159 20 0 CDADMM Cc1ncc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)s1 ZINC000331907354 534727188 /nfs/dbraw/zinc/72/71/88/534727188.db2.gz JURJLHXXAOYOPC-UHFFFAOYSA-N -1 1 294.336 1.560 20 0 CDADMM Cc1ccc(CNC(=O)CN[C@@H](C(=O)[O-])C2CC2)cc1 ZINC000054522566 524507557 /nfs/dbraw/zinc/50/75/57/524507557.db2.gz DGXWDTZWYHPGLK-CQSZACIVSA-N -1 1 276.336 1.064 20 0 CDADMM C[C@@H](CN(C)C(=O)c1ccc(F)cc1Cl)c1nn[n-]n1 ZINC000183447016 524568186 /nfs/dbraw/zinc/56/81/86/524568186.db2.gz ZLWLUPQWUXZMKE-ZETCQYMHSA-N -1 1 297.721 1.868 20 0 CDADMM CC(C)[C@H](CO)NC(=O)c1cc(Cl)ccc1[O-] ZINC000092405821 1174383019 /nfs/dbraw/zinc/38/30/19/1174383019.db2.gz NENCMIXFGPLUQB-JTQLQIEISA-N -1 1 257.717 1.792 20 0 CDADMM CC(C)(C)OC(=O)N[C@H](C(=O)Nc1nnn[n-]1)C(C)(C)C ZINC000269166238 534896833 /nfs/dbraw/zinc/89/68/33/534896833.db2.gz VQIBACLNLOVHHK-SSDOTTSWSA-N -1 1 298.347 1.078 20 0 CDADMM CC(C)(C)OC(=O)N[C@H](C(=O)Nc1nn[n-]n1)C(C)(C)C ZINC000269166238 534896836 /nfs/dbraw/zinc/89/68/36/534896836.db2.gz VQIBACLNLOVHHK-SSDOTTSWSA-N -1 1 298.347 1.078 20 0 CDADMM O=C(NCCc1n[n-]c(=S)n1C1CC1)[C@H]1CCCO1 ZINC000067079335 526456717 /nfs/dbraw/zinc/45/67/17/526456717.db2.gz NRCPYPMLWPWXHU-SECBINFHSA-N -1 1 282.369 1.113 20 0 CDADMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1ccon1 ZINC000067080053 526458181 /nfs/dbraw/zinc/45/81/81/526458181.db2.gz NDZDITDTHKSOPV-UHFFFAOYSA-N -1 1 279.325 1.236 20 0 CDADMM Cc1cc(CN2CCSC[C@H](C(=O)[O-])C2)cnc1F ZINC001600196798 1174402500 /nfs/dbraw/zinc/40/25/00/1174402500.db2.gz ZQCLENZFTPRYLH-LLVKDONJSA-N -1 1 284.356 1.779 20 0 CDADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1C[C@@]12CCOC2 ZINC000366051656 527508477 /nfs/dbraw/zinc/50/84/77/527508477.db2.gz JCACSAOHOWSBER-JVXZTZIISA-N -1 1 268.700 1.806 20 0 CDADMM Cc1nn(C)c(N)c1C(=O)Nc1ccc(F)cc1[O-] ZINC000339959104 527674993 /nfs/dbraw/zinc/67/49/93/527674993.db2.gz NXUXWUFWGNFYGP-UHFFFAOYSA-N -1 1 264.260 1.408 20 0 CDADMM CCC[C@H](NC(=O)c1cc[nH]c1C(C)C)c1nn[n-]n1 ZINC000287457532 528202942 /nfs/dbraw/zinc/20/29/42/528202942.db2.gz LSATZOJPXKEKCR-JTQLQIEISA-N -1 1 276.344 1.922 20 0 CDADMM CCCCO[C@H](C)C(=O)N[C@@H](CCC)c1nn[n-]n1 ZINC000176786055 528646279 /nfs/dbraw/zinc/64/62/79/528646279.db2.gz UWKJBYIZVCJKLB-ZJUUUORDSA-N -1 1 269.349 1.362 20 0 CDADMM CCc1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])n[nH]1 ZINC000262926974 536116762 /nfs/dbraw/zinc/11/67/62/536116762.db2.gz JSCJNWMZWFEAQZ-PTOFAABTSA-N -1 1 277.324 1.297 20 0 CDADMM COC(=O)c1c[n-]c(SCc2nnnn2C(C)C)n1 ZINC000187593033 536861643 /nfs/dbraw/zinc/86/16/43/536861643.db2.gz RPROVGVISKUCAM-UHFFFAOYSA-N -1 1 282.329 1.056 20 0 CDADMM CO[C@H](C)CNC(=O)c1ccc(Br)cc1[O-] ZINC000191225245 536863988 /nfs/dbraw/zinc/86/39/88/536863988.db2.gz YRALTURSOXSUPI-SSDOTTSWSA-N -1 1 288.141 1.919 20 0 CDADMM Cc1ccc(CN(C)C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)o1 ZINC001600410107 1174460661 /nfs/dbraw/zinc/46/06/61/1174460661.db2.gz RQAILUKBESQUKO-ZJUUUORDSA-N -1 1 259.252 1.986 20 0 CDADMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])[C@H]1CN(C)CCO1 ZINC000119100710 538161516 /nfs/dbraw/zinc/16/15/16/538161516.db2.gz ZVAORDKEWLLCKK-TVQRCGJNSA-N -1 1 298.770 1.495 20 0 CDADMM Clc1nsc(NC[C@@H]2CCCO2)c1-c1nnn[n-]1 ZINC000095122394 1174494956 /nfs/dbraw/zinc/49/49/56/1174494956.db2.gz OCIKBMNKKCJYCX-YFKPBYRVSA-N -1 1 286.748 1.568 20 0 CDADMM Clc1nsc(NC[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC000095122394 1174494958 /nfs/dbraw/zinc/49/49/58/1174494958.db2.gz OCIKBMNKKCJYCX-YFKPBYRVSA-N -1 1 286.748 1.568 20 0 CDADMM C[C@@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC000095254516 1174520322 /nfs/dbraw/zinc/52/03/22/1174520322.db2.gz SHDNEQJQKBDUTB-BBBLOLIVSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC000095254516 1174520327 /nfs/dbraw/zinc/52/03/27/1174520327.db2.gz SHDNEQJQKBDUTB-BBBLOLIVSA-N -1 1 273.344 1.893 20 0 CDADMM Cc1oc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1C(=O)[O-] ZINC001600845629 1174638818 /nfs/dbraw/zinc/63/88/18/1174638818.db2.gz FLAMFNOWUFNEBZ-QWHCGFSZSA-N -1 1 293.319 1.829 20 0 CDADMM Cc1oc(CNC(=O)[C@H](C)Cc2cnc[nH]2)cc1C(=O)[O-] ZINC001600848242 1174642732 /nfs/dbraw/zinc/64/27/32/1174642732.db2.gz ZCDUESGTWIPJKD-MRVPVSSYSA-N -1 1 291.307 1.504 20 0 CDADMM Cc1cc(CN2CCN(CCCCC(=O)[O-])CC2)no1 ZINC000738232439 574489814 /nfs/dbraw/zinc/48/98/14/574489814.db2.gz ILIYSEUTCBFHOV-UHFFFAOYSA-N -1 1 281.356 1.356 20 0 CDADMM COC[C@H](C)CC(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774969439 575257018 /nfs/dbraw/zinc/25/70/18/575257018.db2.gz NXGYGADHMWNCOE-MRVPVSSYSA-N -1 1 285.262 1.271 20 0 CDADMM CNC(=O)CCN(C)C(=O)c1c([O-])cccc1Cl ZINC000729534492 574814951 /nfs/dbraw/zinc/81/49/51/574814951.db2.gz WEKGIDNCRHCEAE-UHFFFAOYSA-N -1 1 270.716 1.254 20 0 CDADMM CN1CCC[C@H]1C(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC000738017671 574834204 /nfs/dbraw/zinc/83/42/04/574834204.db2.gz YNKUQBUQTBBQCS-AWEZNQCLSA-N -1 1 290.363 1.237 20 0 CDADMM O=C([O-])[C@H](CC(F)F)NCc1cn(C2CC2)cn1 ZINC001601639236 1174922066 /nfs/dbraw/zinc/92/20/66/1174922066.db2.gz PDOCXRJIRDBSHZ-VIFPVBQESA-N -1 1 259.256 1.416 20 0 CDADMM O=C([O-])[C@H](CF)NCc1cccc(OC(F)F)c1 ZINC001601649693 1174930068 /nfs/dbraw/zinc/93/00/68/1174930068.db2.gz LSMGTIOCPPUAPT-VIFPVBQESA-N -1 1 263.215 1.800 20 0 CDADMM Cc1cc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c(C)s1 ZINC000731855212 575065403 /nfs/dbraw/zinc/06/54/03/575065403.db2.gz VRGFJZVWARTRTN-SNVBAGLBSA-N -1 1 293.352 1.092 20 0 CDADMM CCS(=O)(=O)CCN(C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000737887949 575100946 /nfs/dbraw/zinc/10/09/46/575100946.db2.gz WYQNJBMGJRSXBS-ZDUSSCGKSA-N -1 1 299.392 1.049 20 0 CDADMM CCN1C(=S)N=NC1CNC(=O)c1ccc([O-])c(F)c1 ZINC000767956385 576242302 /nfs/dbraw/zinc/24/23/02/576242302.db2.gz OEHFVADMOKVKRI-UHFFFAOYSA-N -1 1 296.327 1.361 20 0 CDADMM O=C(CCc1ccco1)OCCC[N-]C(=O)C(F)(F)F ZINC000774882276 575248480 /nfs/dbraw/zinc/24/84/80/575248480.db2.gz FSPMPUCKKIUMKG-UHFFFAOYSA-N -1 1 293.241 1.824 20 0 CDADMM O=C(Nc1ccc(C2CC2)cc1)NN1CC(=O)[N-]C1=O ZINC000770657974 575481943 /nfs/dbraw/zinc/48/19/43/575481943.db2.gz QXGWYFTXVDVSSB-UHFFFAOYSA-N -1 1 274.280 1.152 20 0 CDADMM C[C@H](C1CC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735963329 575540519 /nfs/dbraw/zinc/54/05/19/575540519.db2.gz DOULSJLRYWCADT-MRVPVSSYSA-N -1 1 272.312 1.132 20 0 CDADMM C[C@H](C1CC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735963329 575540521 /nfs/dbraw/zinc/54/05/21/575540521.db2.gz DOULSJLRYWCADT-MRVPVSSYSA-N -1 1 272.312 1.132 20 0 CDADMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)[C@H]1CN(C)CCO1 ZINC000771091832 575548130 /nfs/dbraw/zinc/54/81/30/575548130.db2.gz MBONMMOZPUHAAL-BXKDBHETSA-N -1 1 298.770 1.495 20 0 CDADMM C[C@@H]1CCCCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736269433 575609141 /nfs/dbraw/zinc/60/91/41/575609141.db2.gz WSSVELJENPAGKH-SNVBAGLBSA-N -1 1 286.339 1.666 20 0 CDADMM C[C@@H]1CCCCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736269433 575609143 /nfs/dbraw/zinc/60/91/43/575609143.db2.gz WSSVELJENPAGKH-SNVBAGLBSA-N -1 1 286.339 1.666 20 0 CDADMM C[C@@H](Sc1nc(-c2ccccn2)n[nH]1)C(=O)[O-] ZINC000736716330 575727387 /nfs/dbraw/zinc/72/73/87/575727387.db2.gz KSBOWJHOMFUKLT-ZCFIWIBFSA-N -1 1 250.283 1.432 20 0 CDADMM CCn1nc(C)c(CNc2cccc(-c3nnn[n-]3)n2)c1C ZINC000736732438 575730264 /nfs/dbraw/zinc/73/02/64/575730264.db2.gz WHGMKFBABFPUMF-UHFFFAOYSA-N -1 1 298.354 1.707 20 0 CDADMM CCn1nc(C)c(CNc2cccc(-c3nn[n-]n3)n2)c1C ZINC000736732438 575730266 /nfs/dbraw/zinc/73/02/66/575730266.db2.gz WHGMKFBABFPUMF-UHFFFAOYSA-N -1 1 298.354 1.707 20 0 CDADMM CCn1nc(C)c(CNc2nccnc2-c2nnn[n-]2)c1C ZINC000736731900 575730691 /nfs/dbraw/zinc/73/06/91/575730691.db2.gz RSURDPQQYOEWFA-UHFFFAOYSA-N -1 1 299.342 1.102 20 0 CDADMM CCn1nc(C)c(CNc2nccnc2-c2nn[n-]n2)c1C ZINC000736731900 575730695 /nfs/dbraw/zinc/73/06/95/575730695.db2.gz RSURDPQQYOEWFA-UHFFFAOYSA-N -1 1 299.342 1.102 20 0 CDADMM C[C@@H]1C[C@H](C)CN(C(=O)CNC2(C(=O)[O-])CCCCC2)C1 ZINC000736749576 575733035 /nfs/dbraw/zinc/73/30/35/575733035.db2.gz KEUCEMNAYQOQIC-BETUJISGSA-N -1 1 296.411 1.868 20 0 CDADMM O=C(C[C@H]1OCCc2ccccc21)[N-]OC1CCOCC1 ZINC000772719874 575742786 /nfs/dbraw/zinc/74/27/86/575742786.db2.gz YDJLYPSUSVSGKN-OAHLLOKOSA-N -1 1 291.347 1.917 20 0 CDADMM CN(Cc1cc[nH]n1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736812134 575756404 /nfs/dbraw/zinc/75/64/04/575756404.db2.gz COSQRMTZZJZFNM-UHFFFAOYSA-N -1 1 290.718 1.275 20 0 CDADMM CN(Cc1cc[nH]n1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736812134 575756406 /nfs/dbraw/zinc/75/64/06/575756406.db2.gz COSQRMTZZJZFNM-UHFFFAOYSA-N -1 1 290.718 1.275 20 0 CDADMM O=C([O-])[C@@H]1CC12CCN(Cc1cn(CC3CC3)nn1)CC2 ZINC001601774798 1175001688 /nfs/dbraw/zinc/00/16/88/1175001688.db2.gz PPRJCBIYNMEPDI-ZDUSSCGKSA-N -1 1 290.367 1.375 20 0 CDADMM Cc1csc(=O)n1CCC(=O)[N-]Oc1ccccc1 ZINC000773472603 575813571 /nfs/dbraw/zinc/81/35/71/575813571.db2.gz XVPABGVEZNVFRH-UHFFFAOYSA-N -1 1 278.333 1.719 20 0 CDADMM COc1cccc(CNc2cccc(-c3nnn[n-]3)n2)n1 ZINC000737131268 575828903 /nfs/dbraw/zinc/82/89/03/575828903.db2.gz BALPSJXGKNNCQQ-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM COc1cccc(CNc2cccc(-c3nn[n-]n3)n2)n1 ZINC000737131268 575828905 /nfs/dbraw/zinc/82/89/05/575828905.db2.gz BALPSJXGKNNCQQ-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM Cc1nnc(NC(=O)c2ccccc2NC(=O)[O-])[nH]1 ZINC000738866278 575905758 /nfs/dbraw/zinc/90/57/58/575905758.db2.gz QUIVWVVJPZGONR-UHFFFAOYSA-N -1 1 261.241 1.455 20 0 CDADMM Cc1n[nH]c(NC(=O)c2ccccc2NC(=O)[O-])n1 ZINC000738866278 575905760 /nfs/dbraw/zinc/90/57/60/575905760.db2.gz QUIVWVVJPZGONR-UHFFFAOYSA-N -1 1 261.241 1.455 20 0 CDADMM CCc1cc(CNC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)n[nH]1 ZINC000737254484 575911064 /nfs/dbraw/zinc/91/10/64/575911064.db2.gz PJCWSJLALCGVTP-UHFFFAOYSA-N -1 1 290.323 1.545 20 0 CDADMM O=C([O-])C1CC2(C1)C[N@@H+](C[C@H]1CCSC1)C[C@H]2C(=O)[O-] ZINC001601783656 1175003965 /nfs/dbraw/zinc/00/39/65/1175003965.db2.gz XYUGSBTZKITCGP-ICYKSAPQSA-N -1 1 299.392 1.237 20 0 CDADMM Cc1nc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c2ccccn12 ZINC000737467778 575972130 /nfs/dbraw/zinc/97/21/30/575972130.db2.gz STFBCJXDTLCBJJ-VIFPVBQESA-N -1 1 299.338 1.032 20 0 CDADMM CN1CCC[C@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000737517610 575981500 /nfs/dbraw/zinc/98/15/00/575981500.db2.gz BIHNMBPKCDXQEV-OLZOCXBDSA-N -1 1 294.326 1.552 20 0 CDADMM CN1CCC[C@H]1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737519946 575982305 /nfs/dbraw/zinc/98/23/05/575982305.db2.gz JGKAPQQPYLDMFQ-LBPRGKRZSA-N -1 1 277.324 1.487 20 0 CDADMM Cc1noc(C)c1C[C@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000737540515 575987973 /nfs/dbraw/zinc/98/79/73/575987973.db2.gz VIEHXMSXZNZBHK-QMMMGPOBSA-N -1 1 299.338 1.910 20 0 CDADMM Cc1noc(C)c1C[C@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000737540515 575987974 /nfs/dbraw/zinc/98/79/74/575987974.db2.gz VIEHXMSXZNZBHK-QMMMGPOBSA-N -1 1 299.338 1.910 20 0 CDADMM COC(=O)[C@H]1CCCN(Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000737584129 575996860 /nfs/dbraw/zinc/99/68/60/575996860.db2.gz JJASTFILIXGHKL-JTQLQIEISA-N -1 1 281.308 1.671 20 0 CDADMM Cn1[n-]c(COC(=O)c2cc(Cl)c(Cl)[nH]2)nc1=O ZINC000765430518 576021470 /nfs/dbraw/zinc/02/14/70/576021470.db2.gz GOBADLHHYOTSPQ-UHFFFAOYSA-N -1 1 291.094 1.100 20 0 CDADMM CC=C(C=CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1)CC ZINC000765450163 576023935 /nfs/dbraw/zinc/02/39/35/576023935.db2.gz MLAGFPRZGKYZDM-DFPVWLBGSA-N -1 1 277.328 1.012 20 0 CDADMM Cc1cccc2cc(C(=O)OCc3nc(=O)n(C)[n-]3)oc21 ZINC000765463057 576026442 /nfs/dbraw/zinc/02/64/42/576026442.db2.gz QUNGLTKYOFTEPY-UHFFFAOYSA-N -1 1 287.275 1.520 20 0 CDADMM CC[C@@H](CC(=O)OCc1nc(=O)n(C)[n-]1)c1ccccc1 ZINC000765465818 576026678 /nfs/dbraw/zinc/02/66/78/576026678.db2.gz KELRVNXKOFORJF-NSHDSACASA-N -1 1 289.335 1.736 20 0 CDADMM Cn1[n-]c(COC(=O)c2cc3occc3s2)nc1=O ZINC000765480987 576028086 /nfs/dbraw/zinc/02/80/86/576028086.db2.gz RWJWQLPODGWJAG-UHFFFAOYSA-N -1 1 279.277 1.273 20 0 CDADMM Cc1cccc([C@@H](C)C(=O)OCc2nc(=O)n(C)[n-]2)c1 ZINC000765481129 576028372 /nfs/dbraw/zinc/02/83/72/576028372.db2.gz SXRXJFMTGWADRW-SNVBAGLBSA-N -1 1 275.308 1.264 20 0 CDADMM CN1CCC[C@@H]1C(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21 ZINC000738015764 576031421 /nfs/dbraw/zinc/03/14/21/576031421.db2.gz MPCNHMLJVKURCU-CJNGLKHVSA-N -1 1 288.347 1.123 20 0 CDADMM COc1ccnc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000738143360 576042781 /nfs/dbraw/zinc/04/27/81/576042781.db2.gz XIMBBHRHFIMKBM-ZDUSSCGKSA-N -1 1 276.336 1.777 20 0 CDADMM Cc1ccc([C@@H](CNC(=O)CC(=O)[O-])N2CCCC2)o1 ZINC000738261677 576054234 /nfs/dbraw/zinc/05/42/34/576054234.db2.gz OTOZUNMJEQUCQB-LLVKDONJSA-N -1 1 280.324 1.316 20 0 CDADMM Cc1ccccc1CNC(=O)CNC(C)(C)C(=O)[O-] ZINC000738324480 576059481 /nfs/dbraw/zinc/05/94/81/576059481.db2.gz UHQZFQALGBCMBW-UHFFFAOYSA-N -1 1 264.325 1.064 20 0 CDADMM c1c(CNc2cccc(-c3nn[n-]n3)n2)nc2n1CCCC2 ZINC000738418445 576071138 /nfs/dbraw/zinc/07/11/38/576071138.db2.gz IBAUNASNZXKKFO-UHFFFAOYSA-N -1 1 296.338 1.407 20 0 CDADMM c1c2ccccc2[nH]c1CNc1nccnc1-c1nnn[n-]1 ZINC000738433217 576073938 /nfs/dbraw/zinc/07/39/38/576073938.db2.gz NXYCNOGKAPLJNK-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1c2ccccc2[nH]c1CNc1nccnc1-c1nn[n-]n1 ZINC000738433217 576073942 /nfs/dbraw/zinc/07/39/42/576073942.db2.gz NXYCNOGKAPLJNK-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM O=C([O-])[C@@H]1CCCN(Cn2cnc(-c3ccccc3)n2)C1 ZINC000738538653 576086907 /nfs/dbraw/zinc/08/69/07/576086907.db2.gz VWBFMIDBTLLDSI-CYBMUJFWSA-N -1 1 286.335 1.699 20 0 CDADMM CC(C)(C(=O)NN1CC(=O)[N-]C1=O)C1CCCCC1 ZINC000767147528 576162883 /nfs/dbraw/zinc/16/28/83/576162883.db2.gz FYIVKXNQANCIEQ-UHFFFAOYSA-N -1 1 267.329 1.176 20 0 CDADMM O=C(NC[C@@H]1COC2(CCCC2)O1)c1ccc([O-])c(F)c1 ZINC000768386725 576278580 /nfs/dbraw/zinc/27/85/80/576278580.db2.gz QUYSCARELARRLD-LLVKDONJSA-N -1 1 295.310 1.947 20 0 CDADMM O=C([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1C(=O)[O-] ZINC000768767496 576306861 /nfs/dbraw/zinc/30/68/61/576306861.db2.gz HLQSINXRLZSSAX-LLVKDONJSA-N -1 1 279.292 1.313 20 0 CDADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cncnc2)c1 ZINC000760808063 576511702 /nfs/dbraw/zinc/51/17/02/576511702.db2.gz KINKDXJOHQHYEH-UHFFFAOYSA-N -1 1 286.287 1.784 20 0 CDADMM Cn1cc([C@@H](O)CNC(=O)c2ccc(Cl)cc2[O-])cn1 ZINC000743645199 576649002 /nfs/dbraw/zinc/64/90/02/576649002.db2.gz IIDRTJBNINPOPW-LBPRGKRZSA-N -1 1 295.726 1.243 20 0 CDADMM COCCCN(C)C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000747212127 576862767 /nfs/dbraw/zinc/86/27/67/576862767.db2.gz VLUZLYAFMLMRPP-UHFFFAOYSA-N -1 1 281.356 1.723 20 0 CDADMM COc1cc(C)[n-]c(=NNC(=S)NCC(F)(F)F)n1 ZINC000747659158 576878663 /nfs/dbraw/zinc/87/86/63/576878663.db2.gz PAGQQXHCHWBIKU-UHFFFAOYSA-N -1 1 295.290 1.147 20 0 CDADMM O=C(CCOCC(F)(F)F)[N-]O[C@H]1CCCCO1 ZINC000749620437 576956026 /nfs/dbraw/zinc/95/60/26/576956026.db2.gz STNHMDORSZGWFQ-VIFPVBQESA-N -1 1 271.235 1.530 20 0 CDADMM CC(=CC(=O)N[C@H](c1nn[n-]n1)c1ccccc1)C1CC1 ZINC000749737144 576960290 /nfs/dbraw/zinc/96/02/90/576960290.db2.gz RRPIRILRWNAYRJ-CMUBDUJZSA-N -1 1 283.335 1.762 20 0 CDADMM C/C(=C/C(=O)N[C@H](c1nn[n-]n1)c1ccccc1)C1CC1 ZINC000749737144 576960291 /nfs/dbraw/zinc/96/02/91/576960291.db2.gz RRPIRILRWNAYRJ-CMUBDUJZSA-N -1 1 283.335 1.762 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](CCO)C1CC1 ZINC000757072117 577024530 /nfs/dbraw/zinc/02/45/30/577024530.db2.gz GBXUTPFFODQIJN-NSHDSACASA-N -1 1 293.367 1.505 20 0 CDADMM O=C([N-]OCC(F)F)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000759334610 577170012 /nfs/dbraw/zinc/17/00/12/577170012.db2.gz NFPKMOFMUKTFMK-LLVKDONJSA-N -1 1 298.289 1.348 20 0 CDADMM Cc1cccc(CC(=O)OCc2nc(=O)n(C)[n-]2)c1Cl ZINC000753594209 577178681 /nfs/dbraw/zinc/17/86/81/577178681.db2.gz DYGWZJJABRMMBS-UHFFFAOYSA-N -1 1 295.726 1.356 20 0 CDADMM O=C([O-])/C=C\c1ccc(CN2CCSC[C@H]2CCO)o1 ZINC001601879884 1175049421 /nfs/dbraw/zinc/04/94/21/1175049421.db2.gz PCJWRBQQVMVYKP-DLRQAJBASA-N -1 1 297.376 1.677 20 0 CDADMM CC1(C)CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000095231860 599426022 /nfs/dbraw/zinc/42/60/22/599426022.db2.gz BMSSEPNYNSUJCV-UHFFFAOYSA-N -1 1 258.329 1.888 20 0 CDADMM CC1(C)CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000095231860 599426025 /nfs/dbraw/zinc/42/60/25/599426025.db2.gz BMSSEPNYNSUJCV-UHFFFAOYSA-N -1 1 258.329 1.888 20 0 CDADMM CCN(CCC(=O)[O-])CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000829701777 601399278 /nfs/dbraw/zinc/39/92/78/601399278.db2.gz PGHLNTOYPPMGEL-NWDGAFQWSA-N -1 1 268.357 1.532 20 0 CDADMM Cc1nnc(SCCC(=O)N2CCCC[C@H]2C(=O)[O-])[nH]1 ZINC000821225257 597448171 /nfs/dbraw/zinc/44/81/71/597448171.db2.gz ZRTKNONIVOKBCC-VIFPVBQESA-N -1 1 298.368 1.061 20 0 CDADMM CC(C)N(CC(=O)[O-])C(=O)c1ccc(O)c(Cl)c1 ZINC000037993395 598076578 /nfs/dbraw/zinc/07/65/78/598076578.db2.gz AKXLHTWKYWYFCV-UHFFFAOYSA-N -1 1 271.700 1.981 20 0 CDADMM Cc1cc(NC(=O)N[C@@H](C)c2nnc[nH]2)ccc1C(=O)[O-] ZINC000230433576 598212309 /nfs/dbraw/zinc/21/23/09/598212309.db2.gz CAAUTCAQDAZMJP-QMMMGPOBSA-N -1 1 289.295 1.694 20 0 CDADMM Cc1ccc(CN(C)c2nccnc2-c2nnn[n-]2)cc1 ZINC000095323350 598336660 /nfs/dbraw/zinc/33/66/60/598336660.db2.gz VCFSRNMOGWIABF-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1ccc(CN(C)c2nccnc2-c2nn[n-]n2)cc1 ZINC000095323350 598336662 /nfs/dbraw/zinc/33/66/62/598336662.db2.gz VCFSRNMOGWIABF-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM c1cc(NCC[C@@H]2CCCO2)nc(-c2nnn[n-]2)c1 ZINC000095147410 599401121 /nfs/dbraw/zinc/40/11/21/599401121.db2.gz HAIMHVFBXGHXKT-VIFPVBQESA-N -1 1 260.301 1.243 20 0 CDADMM c1cc(NCC[C@@H]2CCCO2)nc(-c2nn[n-]n2)c1 ZINC000095147410 599401123 /nfs/dbraw/zinc/40/11/23/599401123.db2.gz HAIMHVFBXGHXKT-VIFPVBQESA-N -1 1 260.301 1.243 20 0 CDADMM O[C@H]1CCCC[C@@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823706913 599514636 /nfs/dbraw/zinc/51/46/36/599514636.db2.gz RQPFFAAECIFGMS-IUCAKERBSA-N -1 1 294.746 1.631 20 0 CDADMM O[C@H]1CCCC[C@@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823706913 599514638 /nfs/dbraw/zinc/51/46/38/599514638.db2.gz RQPFFAAECIFGMS-IUCAKERBSA-N -1 1 294.746 1.631 20 0 CDADMM C[C@@H](CO)[C@H](C)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820280367 599568078 /nfs/dbraw/zinc/56/80/78/599568078.db2.gz DWPJLDUSIDXJQM-UWVGGRQHSA-N -1 1 298.350 1.844 20 0 CDADMM C[C@@H](CO)[C@H](C)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820280367 599568081 /nfs/dbraw/zinc/56/80/81/599568081.db2.gz DWPJLDUSIDXJQM-UWVGGRQHSA-N -1 1 298.350 1.844 20 0 CDADMM COC[C@H](Nc1cccc(-c2nnn[n-]2)n1)C(C)C ZINC000821683836 599587957 /nfs/dbraw/zinc/58/79/57/599587957.db2.gz LPNNSENLBQNDML-JTQLQIEISA-N -1 1 262.317 1.345 20 0 CDADMM COC[C@H](Nc1cccc(-c2nn[n-]n2)n1)C(C)C ZINC000821683836 599587960 /nfs/dbraw/zinc/58/79/60/599587960.db2.gz LPNNSENLBQNDML-JTQLQIEISA-N -1 1 262.317 1.345 20 0 CDADMM CC(C)CN(CC(C)C)C(=O)CNC(C)(C)C(=O)[O-] ZINC000087626191 599927508 /nfs/dbraw/zinc/92/75/08/599927508.db2.gz BNZNLQWVWKFDMH-UHFFFAOYSA-N -1 1 272.389 1.580 20 0 CDADMM CCC[C@@](C)(NCC(=O)N1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000036808639 600323134 /nfs/dbraw/zinc/32/31/34/600323134.db2.gz NQTZUAAOHXBUQX-TYNCELHUSA-N -1 1 284.400 1.724 20 0 CDADMM C[C@@H](C(=O)OC(C)(C)C)N1CCC[C@@H](C(=O)[O-])C1 ZINC000225028776 600431435 /nfs/dbraw/zinc/43/14/35/600431435.db2.gz LOOXFCZHHMLNQO-VHSXEESVSA-N -1 1 257.330 1.513 20 0 CDADMM O=C([O-])C[C@H]1CCCCN1Cn1cc[nH]c1=S ZINC000833208155 600712851 /nfs/dbraw/zinc/71/28/51/600712851.db2.gz SWODZYYBEXIGNE-SECBINFHSA-N -1 1 255.343 1.459 20 0 CDADMM CCS[C@@H]1CC[C@@H](N(C)Cn2cc(C(=O)[O-])nn2)C1 ZINC000830149146 600718067 /nfs/dbraw/zinc/71/80/67/600718067.db2.gz DXGHCGOGDARIHO-NXEZZACHSA-N -1 1 284.385 1.540 20 0 CDADMM O=C([O-])CCN(Cn1cccnc1=S)C1CCOCC1 ZINC000833236732 600720739 /nfs/dbraw/zinc/72/07/39/600720739.db2.gz YSEWFRVHDZNBHS-UHFFFAOYSA-N -1 1 297.380 1.526 20 0 CDADMM C[C@H]1COCCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820813502 607469670 /nfs/dbraw/zinc/46/96/70/607469670.db2.gz INSPBNHEQAVOIX-QMMMGPOBSA-N -1 1 294.746 1.530 20 0 CDADMM C[C@H]1COCCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820813502 607469672 /nfs/dbraw/zinc/46/96/72/607469672.db2.gz INSPBNHEQAVOIX-QMMMGPOBSA-N -1 1 294.746 1.530 20 0 CDADMM CC[C@@H](C)[C@H](NC(=O)CN1CCC(C)(C)C1)C(=O)[O-] ZINC000828718108 600849898 /nfs/dbraw/zinc/84/98/98/600849898.db2.gz LKMKNPZDIVJGDG-PWSUYJOCSA-N -1 1 270.373 1.334 20 0 CDADMM COC(=O)/C(C)=C/CN1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000831052758 601154151 /nfs/dbraw/zinc/15/41/51/601154151.db2.gz AJXGLLDEPYRJPI-DPQIITEBSA-N -1 1 289.331 1.617 20 0 CDADMM Cc1ccncc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000822379061 607493178 /nfs/dbraw/zinc/49/31/78/607493178.db2.gz JQELWPZZTREAIR-UHFFFAOYSA-N -1 1 256.269 1.775 20 0 CDADMM Cc1ccncc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000822379061 607493179 /nfs/dbraw/zinc/49/31/79/607493179.db2.gz JQELWPZZTREAIR-UHFFFAOYSA-N -1 1 256.269 1.775 20 0 CDADMM CCc1oc(C(=O)[O-])cc1CN1CCN(C[C@H](C)O)CC1 ZINC000830376330 601417511 /nfs/dbraw/zinc/41/75/11/601417511.db2.gz WEOGKDUIYXQRQI-NSHDSACASA-N -1 1 296.367 1.039 20 0 CDADMM COC[C@@](C)(CC(=O)OC)NCc1cc(C(=O)[O-])co1 ZINC000831590854 601489365 /nfs/dbraw/zinc/48/93/65/601489365.db2.gz ODWXUFQOXKROEC-CYBMUJFWSA-N -1 1 285.296 1.036 20 0 CDADMM CC(C)n1ccnc1CN1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000692877492 601503592 /nfs/dbraw/zinc/50/35/92/601503592.db2.gz ZXNMHHGVCKIDGJ-GHMZBOCLSA-N -1 1 251.330 1.617 20 0 CDADMM CC(C)c1nnc(CN2C[C@H](C(=O)[O-])[C@H](C)C2)o1 ZINC000700332328 601508684 /nfs/dbraw/zinc/50/86/84/601508684.db2.gz YFFXAEKSXKBPBT-BDAKNGLRSA-N -1 1 253.302 1.346 20 0 CDADMM Cc1cccc(C)c1NC(=O)CN1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000111253940 601514870 /nfs/dbraw/zinc/51/48/70/601514870.db2.gz ZDQVNZILAPRAEK-QWHCGFSZSA-N -1 1 290.363 1.894 20 0 CDADMM CC(C)c1cnc(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)o1 ZINC000700788571 601542337 /nfs/dbraw/zinc/54/23/37/601542337.db2.gz NPQOFEYPLVBXLR-NXEZZACHSA-N -1 1 252.314 1.951 20 0 CDADMM Cc1cc(CC(=O)Nc2ccc(C)c(C(=O)[O-])c2)n[nH]1 ZINC000832884384 601688556 /nfs/dbraw/zinc/68/85/56/601688556.db2.gz YPFTWGMNEJAROC-UHFFFAOYSA-N -1 1 273.292 1.906 20 0 CDADMM C[C@H]1CN(C(=O)c2cnc(-c3ccccc3)[nH]2)C[C@@H]1C(=O)[O-] ZINC000828388646 601762612 /nfs/dbraw/zinc/76/26/12/601762612.db2.gz ZKFSDEZVVDJNNR-JQWIXIFHSA-N -1 1 299.330 1.869 20 0 CDADMM CN1CCC[C@H]1C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC000257718109 601787838 /nfs/dbraw/zinc/78/78/38/601787838.db2.gz VDFKDWIMGFELMW-NWDGAFQWSA-N -1 1 268.357 1.230 20 0 CDADMM O=C([O-])c1cc(CNCC(=O)Nc2cccc(F)c2)c[nH]1 ZINC000833110619 601832775 /nfs/dbraw/zinc/83/27/75/601832775.db2.gz VFZUEEONWMZILE-UHFFFAOYSA-N -1 1 291.282 1.580 20 0 CDADMM CN(Cc1ccc(C(=O)[O-])s1)[C@H]1CCCCNC1=O ZINC000830819443 601949823 /nfs/dbraw/zinc/94/98/23/601949823.db2.gz MRCZYTCVPMHWHL-JTQLQIEISA-N -1 1 282.365 1.547 20 0 CDADMM Cc1cc(NC(=O)[C@@H]2CCCc3[nH]ncc32)c(C(=O)[O-])[nH]1 ZINC000832893545 602030455 /nfs/dbraw/zinc/03/04/55/602030455.db2.gz PFMIEZSXSMCTAC-MRVPVSSYSA-N -1 1 288.307 1.803 20 0 CDADMM CCc1cc(=O)[n-]c(C[NH2+]C(CC)(CC)CC(=O)[O-])n1 ZINC000830224415 602211402 /nfs/dbraw/zinc/21/14/02/602211402.db2.gz NRFYCHCOGYWUGY-UHFFFAOYSA-N -1 1 281.356 1.868 20 0 CDADMM Cc1ccc2nc(CNC(=O)CN(C)C(=O)[O-])[nH]c2c1 ZINC000830434056 603764488 /nfs/dbraw/zinc/76/44/88/603764488.db2.gz ZISUBUUBFVAVCO-UHFFFAOYSA-N -1 1 276.296 1.097 20 0 CDADMM CC(C)C(=O)NCCN(C)Cc1ccc(C(=O)[O-])s1 ZINC000833466969 604493518 /nfs/dbraw/zinc/49/35/18/604493518.db2.gz IUGOBBULBGAQSU-UHFFFAOYSA-N -1 1 284.381 1.650 20 0 CDADMM C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000833621768 604580598 /nfs/dbraw/zinc/58/05/98/604580598.db2.gz GVRKPPHSZUUHQZ-NXEZZACHSA-N -1 1 294.326 1.689 20 0 CDADMM Cc1cc(=O)[nH]c(CN(C[C@@H](C)C(=O)[O-])C2CC2)n1 ZINC000832898860 604747396 /nfs/dbraw/zinc/74/73/96/604747396.db2.gz FHMXNPZXZFUHKN-MRVPVSSYSA-N -1 1 265.313 1.176 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@@H+](C[C@@H](C)C(=O)[O-])C2CC2)n1 ZINC000832898860 604747399 /nfs/dbraw/zinc/74/73/99/604747399.db2.gz FHMXNPZXZFUHKN-MRVPVSSYSA-N -1 1 265.313 1.176 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)n1 ZINC000832898860 604747402 /nfs/dbraw/zinc/74/74/02/604747402.db2.gz FHMXNPZXZFUHKN-MRVPVSSYSA-N -1 1 265.313 1.176 20 0 CDADMM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000833180282 604747663 /nfs/dbraw/zinc/74/76/63/604747663.db2.gz AQYZPFAFCKGRCB-QWWZWVQMSA-N -1 1 263.175 1.088 20 0 CDADMM CC(C)(C(=O)[O-])[C@H](NC(=O)c1ncn[nH]1)c1ccccc1 ZINC000833414999 604858011 /nfs/dbraw/zinc/85/80/11/604858011.db2.gz ULIYNAHENSYLQW-SNVBAGLBSA-N -1 1 288.307 1.387 20 0 CDADMM CC(C)(C(=O)[O-])[C@H](NC(=O)c1nc[nH]n1)c1ccccc1 ZINC000833414999 604858012 /nfs/dbraw/zinc/85/80/12/604858012.db2.gz ULIYNAHENSYLQW-SNVBAGLBSA-N -1 1 288.307 1.387 20 0 CDADMM CNC(=O)c1cccc(CN[C@@H](C(=O)[O-])c2cccnc2)c1 ZINC000831020277 604991014 /nfs/dbraw/zinc/99/10/14/604991014.db2.gz QRDGONMBAJVJPA-CQSZACIVSA-N -1 1 299.330 1.357 20 0 CDADMM Cc1nn(C)c(C)c1CN[C@H](C(=O)[O-])c1cccnc1 ZINC000833014414 604999367 /nfs/dbraw/zinc/99/93/67/604999367.db2.gz VILUIRNNAGSOIW-ZDUSSCGKSA-N -1 1 274.324 1.347 20 0 CDADMM CC(C)C[C@H](C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833474435 605080950 /nfs/dbraw/zinc/08/09/50/605080950.db2.gz QJYXTPOIJWDZRE-JQWIXIFHSA-N -1 1 281.356 1.594 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(F)cc1 ZINC000833622571 605096084 /nfs/dbraw/zinc/09/60/84/605096084.db2.gz BYAUWIHPAJFVKB-LLVKDONJSA-N -1 1 294.326 1.447 20 0 CDADMM CN(Cc1ccc(C(=O)[O-])[nH]1)C[C@@H]1CCCCO1 ZINC000833696224 605105377 /nfs/dbraw/zinc/10/53/77/605105377.db2.gz IIQLJVBNJOPPBN-NSHDSACASA-N -1 1 252.314 1.714 20 0 CDADMM C[C@H](C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)C(F)(F)F ZINC000833621747 605112044 /nfs/dbraw/zinc/11/20/44/605112044.db2.gz NQNXMTKLWSNQNO-RKDXNWHRSA-N -1 1 296.289 1.192 20 0 CDADMM CC(C)(NCC(=O)NCCC(=O)[O-])c1cccc(F)c1 ZINC000833460467 605141349 /nfs/dbraw/zinc/14/13/49/605141349.db2.gz FKMFHMXJYGPGAE-UHFFFAOYSA-N -1 1 282.315 1.241 20 0 CDADMM C[C@@H]1CC[C@]2(CCN(CN3C[C@H](C(=O)[O-])CC3=O)C2)C1 ZINC000833609935 605178287 /nfs/dbraw/zinc/17/82/87/605178287.db2.gz HRYGVUHSJZPXOZ-JMSVASOKSA-N -1 1 280.368 1.389 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CN2C[C@@H](C)OC(C)(C)C2)O1 ZINC000833584126 605325185 /nfs/dbraw/zinc/32/51/85/605325185.db2.gz OCCCSWFNBXIEOY-MWLCHTKSSA-N -1 1 269.341 1.633 20 0 CDADMM CN(C[C@@H](O)C1CC1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821595314 606200814 /nfs/dbraw/zinc/20/08/14/606200814.db2.gz SKLMDYKHTATRDI-SECBINFHSA-N -1 1 294.746 1.122 20 0 CDADMM CN(C[C@@H](O)C1CC1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821595314 606200813 /nfs/dbraw/zinc/20/08/13/606200813.db2.gz SKLMDYKHTATRDI-SECBINFHSA-N -1 1 294.746 1.122 20 0 CDADMM COC(=O)[C@H](C)Sc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821640223 606446680 /nfs/dbraw/zinc/44/66/80/606446680.db2.gz CXKBAYBSVRCUCX-YFKPBYRVSA-N -1 1 299.743 1.569 20 0 CDADMM COC(=O)[C@H](C)Sc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821640223 606446683 /nfs/dbraw/zinc/44/66/83/606446683.db2.gz CXKBAYBSVRCUCX-YFKPBYRVSA-N -1 1 299.743 1.569 20 0 CDADMM CC(C)[C@@H]1OCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC000820046577 606471930 /nfs/dbraw/zinc/47/19/30/606471930.db2.gz SEYZMOGVUOTVNO-KOLCDFICSA-N -1 1 289.343 1.130 20 0 CDADMM CC(C)[C@@H]1OCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC000820046577 606471932 /nfs/dbraw/zinc/47/19/32/606471932.db2.gz SEYZMOGVUOTVNO-KOLCDFICSA-N -1 1 289.343 1.130 20 0 CDADMM CC(C)(C)c1csc(Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC000819965639 606703113 /nfs/dbraw/zinc/70/31/13/606703113.db2.gz LBEKWEBXVSUVHG-UHFFFAOYSA-N -1 1 290.356 1.261 20 0 CDADMM C[C@H](OCC1CC1)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820518302 607103031 /nfs/dbraw/zinc/10/30/31/607103031.db2.gz AOQSCCJXOWVNEA-LURJTMIESA-N -1 1 294.340 1.077 20 0 CDADMM C[C@H](OCC1CC1)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820518302 607103029 /nfs/dbraw/zinc/10/30/29/607103029.db2.gz AOQSCCJXOWVNEA-LURJTMIESA-N -1 1 294.340 1.077 20 0 CDADMM COCC[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826153865 607837557 /nfs/dbraw/zinc/83/75/57/607837557.db2.gz BTYISWIHCAZIRM-ZETCQYMHSA-N -1 1 282.325 1.510 20 0 CDADMM COCC[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826153865 607837558 /nfs/dbraw/zinc/83/75/58/607837558.db2.gz BTYISWIHCAZIRM-ZETCQYMHSA-N -1 1 282.325 1.510 20 0 CDADMM Cc1cc(CNc2ccc(-c3nnn[n-]3)nn2)ccc1F ZINC000826266760 607988491 /nfs/dbraw/zinc/98/84/91/607988491.db2.gz AICOFKXIGIWULL-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1cc(CNc2ccc(-c3nn[n-]n3)nn2)ccc1F ZINC000826266760 607988492 /nfs/dbraw/zinc/98/84/92/607988492.db2.gz AICOFKXIGIWULL-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM O=C(Cn1ccnc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000826425341 608013828 /nfs/dbraw/zinc/01/38/28/608013828.db2.gz YUTBYNMDNNOHAJ-UHFFFAOYSA-N -1 1 272.243 1.085 20 0 CDADMM O=C(Cn1ccnc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000826425341 608013829 /nfs/dbraw/zinc/01/38/29/608013829.db2.gz YUTBYNMDNNOHAJ-UHFFFAOYSA-N -1 1 272.243 1.085 20 0 CDADMM C[C@H](OC(=O)c1sccc1-c1nn[n-]n1)C1CC1 ZINC000824728675 608182377 /nfs/dbraw/zinc/18/23/77/608182377.db2.gz GKPOJAQMBQIUAZ-LURJTMIESA-N -1 1 264.310 1.884 20 0 CDADMM c1ccc2c(c1)CC[C@@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826523127 608393956 /nfs/dbraw/zinc/39/39/56/608393956.db2.gz BHZGKSKBFSHDIG-NSHDSACASA-N -1 1 279.307 1.756 20 0 CDADMM c1ccc2c(c1)CC[C@@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826523127 608393958 /nfs/dbraw/zinc/39/39/58/608393958.db2.gz BHZGKSKBFSHDIG-NSHDSACASA-N -1 1 279.307 1.756 20 0 CDADMM Cc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)c(C)c1 ZINC000826288769 608402313 /nfs/dbraw/zinc/40/23/13/608402313.db2.gz VWTLVZWKFBXGPJ-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)c(C)c1 ZINC000826288769 608402314 /nfs/dbraw/zinc/40/23/14/608402314.db2.gz VWTLVZWKFBXGPJ-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM c1ccc([C@H]2C[C@@H]2Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826520688 608406097 /nfs/dbraw/zinc/40/60/97/608406097.db2.gz PKPLXENJTMTBAA-PWSUYJOCSA-N -1 1 279.307 1.625 20 0 CDADMM c1ccc([C@H]2C[C@@H]2Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826520688 608406099 /nfs/dbraw/zinc/40/60/99/608406099.db2.gz PKPLXENJTMTBAA-PWSUYJOCSA-N -1 1 279.307 1.625 20 0 CDADMM COc1ccc2c(c1)CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC000826212921 608407257 /nfs/dbraw/zinc/40/72/57/608407257.db2.gz FQEQIIKBSDIRNE-UHFFFAOYSA-N -1 1 295.306 1.360 20 0 CDADMM COc1ccc2c(c1)CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC000826212921 608407259 /nfs/dbraw/zinc/40/72/59/608407259.db2.gz FQEQIIKBSDIRNE-UHFFFAOYSA-N -1 1 295.306 1.360 20 0 CDADMM CC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)nn2)c(C)c1 ZINC000824029062 608411125 /nfs/dbraw/zinc/41/11/25/608411125.db2.gz BLOXHBWWYGDCHA-UHFFFAOYSA-N -1 1 296.290 1.960 20 0 CDADMM CC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)nn2)c(C)c1 ZINC000824029062 608411126 /nfs/dbraw/zinc/41/11/26/608411126.db2.gz BLOXHBWWYGDCHA-UHFFFAOYSA-N -1 1 296.290 1.960 20 0 CDADMM CC[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825165159 608431473 /nfs/dbraw/zinc/43/14/73/608431473.db2.gz UJQFQFQQJCQYIH-LBPRGKRZSA-N -1 1 259.317 1.283 20 0 CDADMM CC[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000825165159 608431475 /nfs/dbraw/zinc/43/14/75/608431475.db2.gz UJQFQFQQJCQYIH-LBPRGKRZSA-N -1 1 259.317 1.283 20 0 CDADMM FC(F)CN(CC1CCC1)c1ccc(-c2nnn[n-]2)nn1 ZINC000826369624 608439649 /nfs/dbraw/zinc/43/96/49/608439649.db2.gz KOGHYIJSMKJMLC-UHFFFAOYSA-N -1 1 295.297 1.528 20 0 CDADMM FC(F)CN(CC1CCC1)c1ccc(-c2nn[n-]n2)nn1 ZINC000826369624 608439651 /nfs/dbraw/zinc/43/96/51/608439651.db2.gz KOGHYIJSMKJMLC-UHFFFAOYSA-N -1 1 295.297 1.528 20 0 CDADMM Clc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)nc1 ZINC000826351812 608585668 /nfs/dbraw/zinc/58/56/68/608585668.db2.gz BWIKRYJPHQVGIR-UHFFFAOYSA-N -1 1 288.702 1.317 20 0 CDADMM Clc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)nc1 ZINC000826351812 608585669 /nfs/dbraw/zinc/58/56/69/608585669.db2.gz BWIKRYJPHQVGIR-UHFFFAOYSA-N -1 1 288.702 1.317 20 0 CDADMM C[C@@H]1[C@H](C)OCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000825022671 608702624 /nfs/dbraw/zinc/70/26/24/608702624.db2.gz YXSUSDXJLVKQSZ-BDAKNGLRSA-N -1 1 263.301 1.069 20 0 CDADMM C[C@@H]1[C@H](C)OCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000825022671 608702626 /nfs/dbraw/zinc/70/26/26/608702626.db2.gz YXSUSDXJLVKQSZ-BDAKNGLRSA-N -1 1 263.301 1.069 20 0 CDADMM C[C@@H](Cn1ccnc1-c1nnn[n-]1)c1ccccc1 ZINC000824466011 608889285 /nfs/dbraw/zinc/88/92/85/608889285.db2.gz VCDAFLLYZAXSGH-JTQLQIEISA-N -1 1 254.297 1.867 20 0 CDADMM C[C@@H](Cn1ccnc1-c1nn[n-]n1)c1ccccc1 ZINC000824466011 608889287 /nfs/dbraw/zinc/88/92/87/608889287.db2.gz VCDAFLLYZAXSGH-JTQLQIEISA-N -1 1 254.297 1.867 20 0 CDADMM O=C(Cn1ccnc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000826424915 608890367 /nfs/dbraw/zinc/89/03/67/608890367.db2.gz IIKRGZLYDPLNTJ-UHFFFAOYSA-N -1 1 288.698 1.600 20 0 CDADMM O=C(Cn1ccnc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000826424915 608890369 /nfs/dbraw/zinc/89/03/69/608890369.db2.gz IIKRGZLYDPLNTJ-UHFFFAOYSA-N -1 1 288.698 1.600 20 0 CDADMM CC(C)CSCCCn1ccnc1-c1nnn[n-]1 ZINC000824276080 608893782 /nfs/dbraw/zinc/89/37/82/608893782.db2.gz ZHIUWNQOMMHWJC-UHFFFAOYSA-N -1 1 266.374 1.843 20 0 CDADMM CC(C)CSCCCn1ccnc1-c1nn[n-]n1 ZINC000824276080 608893785 /nfs/dbraw/zinc/89/37/85/608893785.db2.gz ZHIUWNQOMMHWJC-UHFFFAOYSA-N -1 1 266.374 1.843 20 0 CDADMM 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1 285.263 1.520 20 0 CDADMM Cc1coc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001605996379 1163740711 /nfs/dbraw/zinc/74/07/11/1163740711.db2.gz RSKNSOLIDZQLEG-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1[nH]nc(NC(=O)C[C@H]2CCC[C@H]2C)c1-c1nn[n-]n1 ZINC001606013237 1163743961 /nfs/dbraw/zinc/74/39/61/1163743961.db2.gz IXQRWDDNLVEHLM-VXNVDRBHSA-N -1 1 289.343 1.663 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1-c1nn[n-]n1 ZINC001606013838 1163744578 /nfs/dbraw/zinc/74/45/78/1163744578.db2.gz XRYIXSWJZNIXLS-MBTKJCJQSA-N -1 1 287.327 1.273 20 0 CDADMM Cc1ccc(CNc2cc(-c3nnn[n-]3)nc(C)n2)s1 ZINC001606075800 1163764338 /nfs/dbraw/zinc/76/43/38/1163764338.db2.gz BKWIWVCTEMTNLK-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1noc(C)c1[C@@H](C)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001606129212 1163780969 /nfs/dbraw/zinc/78/09/69/1163780969.db2.gz HPTOJZIGBALJPM-ZCFIWIBFSA-N -1 1 286.299 1.435 20 0 CDADMM Cc1noc(C)c1[C@@H](C)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001606129212 1163780974 /nfs/dbraw/zinc/78/09/74/1163780974.db2.gz HPTOJZIGBALJPM-ZCFIWIBFSA-N -1 1 286.299 1.435 20 0 CDADMM CN1CCC[C@@H]1C(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC001606228588 1163823913 /nfs/dbraw/zinc/82/39/13/1163823913.db2.gz GEIRAZRIDATICB-ZJUUUORDSA-N -1 1 268.338 1.084 20 0 CDADMM FC1(F)CCC[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001606300448 1163845473 /nfs/dbraw/zinc/84/54/73/1163845473.db2.gz VIHGTTZKTWSIQX-MRVPVSSYSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(F)CCC[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001606300448 1163845479 /nfs/dbraw/zinc/84/54/79/1163845479.db2.gz VIHGTTZKTWSIQX-MRVPVSSYSA-N -1 1 295.297 1.894 20 0 CDADMM COC(=O)c1occc1CN[C@](C)(CCF)C(=O)[O-] ZINC001606636745 1163942474 /nfs/dbraw/zinc/94/24/74/1163942474.db2.gz WLSMVIIMMVZCDE-GFCCVEGCSA-N -1 1 273.260 1.359 20 0 CDADMM O=C(NCCC1CC=CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001606760801 1163986011 /nfs/dbraw/zinc/98/60/11/1163986011.db2.gz IIJKLUAYRXFKOC-UHFFFAOYSA-N -1 1 284.323 1.348 20 0 CDADMM O=C(NCCC1CC=CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001606760801 1163986020 /nfs/dbraw/zinc/98/60/20/1163986020.db2.gz IIJKLUAYRXFKOC-UHFFFAOYSA-N -1 1 284.323 1.348 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1F ZINC001606935396 1164034655 /nfs/dbraw/zinc/03/46/55/1164034655.db2.gz WGDYRZQOEGDDPC-UHFFFAOYSA-N -1 1 284.254 1.653 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001606935396 1164034658 /nfs/dbraw/zinc/03/46/58/1164034658.db2.gz WGDYRZQOEGDDPC-UHFFFAOYSA-N -1 1 284.254 1.653 20 0 CDADMM OCC1(Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCC1 ZINC001607105046 1164083876 /nfs/dbraw/zinc/08/38/76/1164083876.db2.gz ZEHHEEVASMYSLJ-UHFFFAOYSA-N -1 1 286.748 1.304 20 0 CDADMM OCC1(Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCC1 ZINC001607105046 1164083884 /nfs/dbraw/zinc/08/38/84/1164083884.db2.gz ZEHHEEVASMYSLJ-UHFFFAOYSA-N -1 1 286.748 1.304 20 0 CDADMM c1ccc2c(c1)CN(c1ncncc1-c1nn[n-]n1)CCN2 ZINC001607132534 1164109768 /nfs/dbraw/zinc/10/97/68/1164109768.db2.gz LVYIBSUWGIAROV-UHFFFAOYSA-N -1 1 294.322 1.089 20 0 CDADMM c1c(CNc2nccnc2-c2nnn[n-]2)onc1C1CC1 ZINC001607133643 1164112393 /nfs/dbraw/zinc/11/23/93/1164112393.db2.gz LILIDMMYIFFWPT-UHFFFAOYSA-N -1 1 284.283 1.134 20 0 CDADMM c1c(CNc2nccnc2-c2nn[n-]n2)onc1C1CC1 ZINC001607133643 1164112399 /nfs/dbraw/zinc/11/23/99/1164112399.db2.gz LILIDMMYIFFWPT-UHFFFAOYSA-N -1 1 284.283 1.134 20 0 CDADMM COc1ccc([C@H](NCc2cccnc2)C(=O)[O-])cc1O ZINC001607233826 1164134299 /nfs/dbraw/zinc/13/42/99/1164134299.db2.gz CHUUZNBEFBXVJJ-AWEZNQCLSA-N -1 1 288.303 1.711 20 0 CDADMM C[C@H](CC(=O)[O-])NC(=O)c1cn[nH]c1-c1ccccn1 ZINC001607452623 1164186404 /nfs/dbraw/zinc/18/64/04/1164186404.db2.gz LPNNVOZQVUBVNB-MRVPVSSYSA-N -1 1 274.280 1.065 20 0 CDADMM C[C@H]1CN(CN2C[C@H](C(F)F)CC2=O)C[C@]1(C)C(=O)[O-] ZINC001607477385 1164196664 /nfs/dbraw/zinc/19/66/64/1164196664.db2.gz AFTOWJYFHXQFKX-RWEMILLDSA-N -1 1 290.310 1.100 20 0 CDADMM C[C@H]1CN(C[C@]2(C)CCCCO2)C[C@@H](C(=O)[O-])O1 ZINC001607476449 1164197113 /nfs/dbraw/zinc/19/71/13/1164197113.db2.gz RRZGAVOMOZCMLU-GVXVVHGQSA-N -1 1 257.330 1.120 20 0 CDADMM Cc1[nH]nc(CN(C)[C@H](COC(C)C)C(=O)[O-])c1C ZINC001607500511 1164210185 /nfs/dbraw/zinc/21/01/85/1164210185.db2.gz QVZOSUNWPNQMHL-GFCCVEGCSA-N -1 1 269.345 1.337 20 0 CDADMM Cc1c[nH]nc1C[N@@H+]1[C@@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001607556741 1164224579 /nfs/dbraw/zinc/22/45/79/1164224579.db2.gz YGMGDPKKRJKSBC-FOUMNBMASA-N -1 1 279.340 1.313 20 0 CDADMM Cc1c[nH]nc1CN1[C@@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001607556741 1164224585 /nfs/dbraw/zinc/22/45/85/1164224585.db2.gz YGMGDPKKRJKSBC-FOUMNBMASA-N -1 1 279.340 1.313 20 0 CDADMM Cc1ccc2ncc(C[N@@H+](CCC(=O)[O-])CC(=O)[O-])n2c1 ZINC001607833669 1164308082 /nfs/dbraw/zinc/30/80/82/1164308082.db2.gz VNRCNYNEVPDIRT-UHFFFAOYSA-N -1 1 291.307 1.004 20 0 CDADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1cc[nH]c1 ZINC000346120920 1164342450 /nfs/dbraw/zinc/34/24/50/1164342450.db2.gz OOMNVIJZYYIZHP-UHFFFAOYSA-N -1 1 284.279 1.359 20 0 CDADMM Cc1oc(CN[C@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1C(=O)[O-] ZINC001608048140 1164392464 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C[C@@H]1C[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CO1 ZINC001609157309 1164802404 /nfs/dbraw/zinc/80/24/04/1164802404.db2.gz IMPBPQOINQNJCR-RFZPGFLSSA-N -1 1 286.748 1.566 20 0 CDADMM CC[C@@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)[C@H](C)O ZINC001609194578 1164832799 /nfs/dbraw/zinc/83/27/99/1164832799.db2.gz HBWQKJSXODUZFA-GXSJLCMTSA-N -1 1 298.350 1.986 20 0 CDADMM CC[C@@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)[C@H](C)O ZINC001609194578 1164832806 /nfs/dbraw/zinc/83/28/06/1164832806.db2.gz HBWQKJSXODUZFA-GXSJLCMTSA-N -1 1 298.350 1.986 20 0 CDADMM CC[C@@H]1C[C@@H](C)CN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609198649 1164838811 /nfs/dbraw/zinc/83/88/11/1164838811.db2.gz GKOUQGHVYSDDLN-PSASIEDQSA-N -1 1 273.344 1.590 20 0 CDADMM CC[C@@H]1C[C@@H](C)CN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609198649 1164838820 /nfs/dbraw/zinc/83/88/20/1164838820.db2.gz GKOUQGHVYSDDLN-PSASIEDQSA-N -1 1 273.344 1.590 20 0 CDADMM CCN(Cc1ccoc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609225593 1164855162 /nfs/dbraw/zinc/85/51/62/1164855162.db2.gz 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/nfs/dbraw/zinc/89/24/75/1164892475.db2.gz PRMDJTYIUFCRNU-GWCFXTLKSA-N -1 1 288.355 1.797 20 0 CDADMM CO[C@H]1CC[C@H](OC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001609313525 1164894278 /nfs/dbraw/zinc/89/42/78/1164894278.db2.gz MIOOUSJYPGGBDR-YUMQZZPRSA-N -1 1 278.268 1.184 20 0 CDADMM COC[C@@H](OC(=O)c1cc(-c2nnn[n-]2)oc1C)C(C)C ZINC001609317610 1164897398 /nfs/dbraw/zinc/89/73/98/1164897398.db2.gz FLRGKPVPNRMWJY-LLVKDONJSA-N -1 1 294.311 1.596 20 0 CDADMM COC[C@@H](OC(=O)c1cc(-c2nn[n-]n2)oc1C)C(C)C ZINC001609317610 1164897406 /nfs/dbraw/zinc/89/74/06/1164897406.db2.gz FLRGKPVPNRMWJY-LLVKDONJSA-N -1 1 294.311 1.596 20 0 CDADMM COc1ccc(CCNc2cccnc2-c2nnn[n-]2)cc1 ZINC001609354623 1164909459 /nfs/dbraw/zinc/90/94/59/1164909459.db2.gz VBOGTUURRFQFDQ-UHFFFAOYSA-N -1 1 296.334 1.925 20 0 CDADMM COc1ccc(CCNc2cccnc2-c2nn[n-]n2)cc1 ZINC001609354623 1164909466 /nfs/dbraw/zinc/90/94/66/1164909466.db2.gz VBOGTUURRFQFDQ-UHFFFAOYSA-N -1 1 296.334 1.925 20 0 CDADMM CS[C@H]1CCC[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001609370069 1164912982 /nfs/dbraw/zinc/91/29/82/1164912982.db2.gz ULROXYBTOBVGKF-KOLCDFICSA-N -1 1 290.396 1.770 20 0 CDADMM CS[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001609370069 1164912988 /nfs/dbraw/zinc/91/29/88/1164912988.db2.gz ULROXYBTOBVGKF-KOLCDFICSA-N -1 1 290.396 1.770 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C)C[C@@H](C)C2)n1 ZINC001609391582 1164921996 /nfs/dbraw/zinc/92/19/96/1164921996.db2.gz OJQSAAOAUHXDIT-RKDXNWHRSA-N -1 1 273.344 1.447 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](C)C[C@@H](C)C2)n1 ZINC001609391582 1164922003 /nfs/dbraw/zinc/92/20/03/1164922003.db2.gz OJQSAAOAUHXDIT-RKDXNWHRSA-N -1 1 273.344 1.447 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CC2CCCCC2)n1 ZINC001609391605 1164922410 /nfs/dbraw/zinc/92/24/10/1164922410.db2.gz PHIVBKBJECZLFU-UHFFFAOYSA-N -1 1 287.371 1.982 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CC2CCCCC2)n1 ZINC001609391605 1164922417 /nfs/dbraw/zinc/92/24/17/1164922417.db2.gz PHIVBKBJECZLFU-UHFFFAOYSA-N -1 1 287.371 1.982 20 0 CDADMM Cc1ccc(CN(C)c2ncncc2-c2nn[n-]n2)cc1 ZINC001609423246 1164939351 /nfs/dbraw/zinc/93/93/51/1164939351.db2.gz GIVVVHAOLIDBQZ-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1nsc(NC(=O)[C@@H](F)C(C)C)c1-c1nnn[n-]1 ZINC001609465386 1164961286 /nfs/dbraw/zinc/96/12/86/1164961286.db2.gz SIOPKGXHHOTWNQ-ZETCQYMHSA-N -1 1 284.320 1.564 20 0 CDADMM Cc1nsc(NC(=O)[C@@H](F)C(C)C)c1-c1nn[n-]n1 ZINC001609465386 1164961295 /nfs/dbraw/zinc/96/12/95/1164961295.db2.gz SIOPKGXHHOTWNQ-ZETCQYMHSA-N -1 1 284.320 1.564 20 0 CDADMM Clc1ccc(CNc2cc(-c3nnn[n-]3)ncn2)o1 ZINC001609473209 1164967880 /nfs/dbraw/zinc/96/78/80/1164967880.db2.gz QRAZDRTWDSAMBH-UHFFFAOYSA-N -1 1 277.675 1.515 20 0 CDADMM Clc1ccc(CNc2cc(-c3nn[n-]n3)ncn2)o1 ZINC001609473209 1164967888 /nfs/dbraw/zinc/96/78/88/1164967888.db2.gz QRAZDRTWDSAMBH-UHFFFAOYSA-N -1 1 277.675 1.515 20 0 CDADMM Fc1ccc2c(c1)[C@H](Nc1cc(-c3nnn[n-]3)ncn1)CC2 ZINC001609491657 1164976334 /nfs/dbraw/zinc/97/63/34/1164976334.db2.gz XWKZOZOOTPBZDG-LLVKDONJSA-N -1 1 297.297 1.895 20 0 CDADMM Fc1ccc2c(c1)[C@H](Nc1cc(-c3nn[n-]n3)ncn1)CC2 ZINC001609491657 1164976339 /nfs/dbraw/zinc/97/63/39/1164976339.db2.gz XWKZOZOOTPBZDG-LLVKDONJSA-N -1 1 297.297 1.895 20 0 CDADMM CC(=O)[C@](C)(O)CN1CCc2c(cccc2C(=O)[O-])C1 ZINC001609567843 1164988803 /nfs/dbraw/zinc/98/88/03/1164988803.db2.gz KEGABTGFOAXRKD-OAHLLOKOSA-N -1 1 277.320 1.083 20 0 CDADMM O=C(OC1CC2(CC2)C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609573223 1164991452 /nfs/dbraw/zinc/99/14/52/1164991452.db2.gz YVUMRKNXLBGZNX-UHFFFAOYSA-N -1 1 271.280 1.361 20 0 CDADMM O=C(OC1CC2(CC2)C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609573223 1164991458 /nfs/dbraw/zinc/99/14/58/1164991458.db2.gz YVUMRKNXLBGZNX-UHFFFAOYSA-N -1 1 271.280 1.361 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC[C@H]1CCC[C@@H]1C1CC1 ZINC001609613103 1165007254 /nfs/dbraw/zinc/00/72/54/1165007254.db2.gz KUNCJOWODRKCNT-GHMZBOCLSA-N -1 1 285.355 1.895 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC[C@H]1CCC[C@@H]1C1CC1 ZINC001609613103 1165007260 /nfs/dbraw/zinc/00/72/60/1165007260.db2.gz KUNCJOWODRKCNT-GHMZBOCLSA-N -1 1 285.355 1.895 20 0 CDADMM c1cn2ncc(-c3nn[n-]n3)c2n1Cc1ccccc1 ZINC001609617506 1165013405 /nfs/dbraw/zinc/01/34/05/1165013405.db2.gz YFHBSRRUNMATAS-UHFFFAOYSA-N -1 1 265.280 1.364 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N2CCO[C@H](C3CCC3)C2)c1 ZINC001609619700 1165014682 /nfs/dbraw/zinc/01/46/82/1165014682.db2.gz YJGGGRYOBHKKDY-LBPRGKRZSA-N -1 1 286.339 1.267 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N2CCO[C@H](C3CCC3)C2)c1 ZINC001609619700 1165014684 /nfs/dbraw/zinc/01/46/84/1165014684.db2.gz YJGGGRYOBHKKDY-LBPRGKRZSA-N -1 1 286.339 1.267 20 0 CDADMM COC[C@H](NC/C=C(\C)C(=O)[O-])c1ccc(C)o1 ZINC001610250963 1165273511 /nfs/dbraw/zinc/27/35/11/1165273511.db2.gz QRUPIEHHGUFHAT-LAHYYIKRSA-N -1 1 253.298 1.896 20 0 CDADMM Cc1oc(CN(C)[C@@H](CO)COC(C)C)cc1C(=O)[O-] ZINC001610582628 1165365018 /nfs/dbraw/zinc/36/50/18/1165365018.db2.gz SEYTVMBFVFLFQG-NSHDSACASA-N -1 1 285.340 1.504 20 0 CDADMM O=C([O-])c1ccc(NC(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC001610833907 1165457404 /nfs/dbraw/zinc/45/74/04/1165457404.db2.gz CGFMWYIUTVSAKV-BETUJISGSA-N -1 1 289.335 1.743 20 0 CDADMM O=C([O-])c1cccc(-c2noc([C@H]3CNCCO3)n2)c1 ZINC001610844225 1165460058 /nfs/dbraw/zinc/46/00/58/1165460058.db2.gz RJULYSCUMXWKKT-SNVBAGLBSA-N -1 1 275.264 1.096 20 0 CDADMM Cc1cccc2c1O[C@H](C(=O)Nc1c[n-][nH]c1=O)C2 ZINC001611379416 1165491445 /nfs/dbraw/zinc/49/14/45/1165491445.db2.gz HVTATTGAFUEELI-JTQLQIEISA-N -1 1 259.265 1.366 20 0 CDADMM Cn1c(=O)cc(C(=O)Nc2c[n-][nH]c2=O)c2ccccc21 ZINC001611380762 1165492162 /nfs/dbraw/zinc/49/21/62/1165492162.db2.gz WYWNCFPPIHEBJV-UHFFFAOYSA-N -1 1 284.275 1.220 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cccnc1-n1cccn1 ZINC001625353871 1165902791 /nfs/dbraw/zinc/90/27/91/1165902791.db2.gz AOCNPEYAXWGTEF-UHFFFAOYSA-N -1 1 284.279 1.257 20 0 CDADMM CCC(CC)(NC(=O)Cc1ccc(F)cc1)c1nn[n-]n1 ZINC000095284744 1166617675 /nfs/dbraw/zinc/61/76/75/1166617675.db2.gz JBWIPLXGSILKKV-UHFFFAOYSA-N -1 1 291.330 1.713 20 0 CDADMM Cc1nnc(NC(=O)c2ccc(F)c([O-])c2)n1C ZINC001638410840 1166844673 /nfs/dbraw/zinc/84/46/73/1166844673.db2.gz CBSVKFPBQLYTSO-UHFFFAOYSA-N -1 1 250.233 1.221 20 0 CDADMM O=C(Nc1cccc(-n2cnnc2)c1)c1ccc([O-])cn1 ZINC001645407673 1167401051 /nfs/dbraw/zinc/40/10/51/1167401051.db2.gz IHDZSRUPXCWXQG-UHFFFAOYSA-N -1 1 281.275 1.620 20 0 CDADMM Cc1oc(CNC(=O)CN(C)C2CCC2)cc1C(=O)[O-] ZINC001646253628 1167724664 /nfs/dbraw/zinc/72/46/64/1167724664.db2.gz ALHUCUUZBZDQPO-UHFFFAOYSA-N -1 1 280.324 1.387 20 0 CDADMM COC[C@H](NCc1c(OC)cc(F)cc1OC)C(=O)[O-] ZINC001647330259 1168566233 /nfs/dbraw/zinc/56/62/33/1168566233.db2.gz YMVHQZSFLKBYHA-JTQLQIEISA-N -1 1 287.287 1.032 20 0 CDADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]CC(C)C ZINC001649708324 1169298593 /nfs/dbraw/zinc/29/85/93/1169298593.db2.gz YSTKCTPLZCQTQM-UHFFFAOYSA-N -1 1 279.308 1.908 20 0 CDADMM C[C@@H](c1ccncc1)N1CCC(C(=O)[O-])([S@@](C)=O)CC1 ZINC001573589635 1170700317 /nfs/dbraw/zinc/70/03/17/1170700317.db2.gz GPIRWWCOOJFBFQ-PRWKNARSSA-N -1 1 296.392 1.440 20 0 CDADMM C[C@@H]1CCN(CC(=O)NCC2(CC(=O)[O-])CCCCC2)C1 ZINC001573646357 1170719863 /nfs/dbraw/zinc/71/98/63/1170719863.db2.gz RUUOMSRIMLMWHI-CYBMUJFWSA-N -1 1 296.411 1.870 20 0 CDADMM CO[C@@H]1CCC[C@H]1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001650243534 1170881312 /nfs/dbraw/zinc/88/13/12/1170881312.db2.gz YJTRXIDGBCHFKT-BXKDBHETSA-N -1 1 274.324 1.095 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1ccccc1-n1cccn1 ZINC001654603619 1171625143 /nfs/dbraw/zinc/62/51/43/1171625143.db2.gz WHBMWUOZDWAWCQ-UHFFFAOYSA-N -1 1 269.264 1.553 20 0 CDADMM F[C@]1(c2ccccc2)C[C@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001581851505 1172623467 /nfs/dbraw/zinc/62/34/67/1172623467.db2.gz ZTOXRHAPYCNAEM-HIFRSBDPSA-N -1 1 296.309 1.733 20 0 CDADMM F[C@]1(c2ccccc2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001581851505 1172623472 /nfs/dbraw/zinc/62/34/72/1172623472.db2.gz ZTOXRHAPYCNAEM-HIFRSBDPSA-N -1 1 296.309 1.733 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C=Cc1cccs1 ZINC001581908994 1172628861 /nfs/dbraw/zinc/62/88/61/1172628861.db2.gz LKKXCABIZNESKQ-ONEGZZNKSA-N -1 1 287.308 1.061 20 0 CDADMM Cc1nc(-c2ccccc2)oc1C(=O)N(C)c1nn[n-]n1 ZINC001587339162 1172982230 /nfs/dbraw/zinc/98/22/30/1172982230.db2.gz BAKXSFKJZPWWDC-UHFFFAOYSA-N -1 1 284.279 1.440 20 0 CDADMM C=C/C=C/CC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001588529526 1173073626 /nfs/dbraw/zinc/07/36/26/1173073626.db2.gz BEURXTCMFQNEGR-SNAWJCMRSA-N -1 1 286.295 1.341 20 0 CDADMM CC(C)(C)OC1CN(Cc2cccc(-c3nn[n-]n3)n2)C1 ZINC001589193238 1173128018 /nfs/dbraw/zinc/12/80/18/1173128018.db2.gz MZSBMRIZDCQXSL-UHFFFAOYSA-N -1 1 288.355 1.261 20 0 CDADMM CC(C)[C@@H](F)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001589466594 1173146285 /nfs/dbraw/zinc/14/62/85/1173146285.db2.gz IYXDWEWPZFUECU-ZCFIWIBFSA-N -1 1 270.293 1.256 20 0 CDADMM CC(C)[C@@H](F)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001589466594 1173146290 /nfs/dbraw/zinc/14/62/90/1173146290.db2.gz IYXDWEWPZFUECU-ZCFIWIBFSA-N -1 1 270.293 1.256 20 0 CDADMM CC(C)CSCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001589653363 1173165386 /nfs/dbraw/zinc/16/53/86/1173165386.db2.gz JVDNCUHUVDZSRX-UHFFFAOYSA-N -1 1 293.400 1.848 20 0 CDADMM CC(C)CSCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001589653363 1173165389 /nfs/dbraw/zinc/16/53/89/1173165389.db2.gz JVDNCUHUVDZSRX-UHFFFAOYSA-N -1 1 293.400 1.848 20 0 CDADMM CC(C)c1cc(CNc2ccnc(-c3nnn[n-]3)c2)on1 ZINC001589767016 1173175215 /nfs/dbraw/zinc/17/52/15/1173175215.db2.gz JIKWHSUNVSHJMD-UHFFFAOYSA-N -1 1 285.311 1.407 20 0 CDADMM CC(C)c1cc(CNc2ccnc(-c3nn[n-]n3)c2)on1 ZINC001589767016 1173175221 /nfs/dbraw/zinc/17/52/21/1173175221.db2.gz JIKWHSUNVSHJMD-UHFFFAOYSA-N -1 1 285.311 1.407 20 0 CDADMM C[C@@H](CNC(=O)c1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001589864891 1173189505 /nfs/dbraw/zinc/18/95/05/1173189505.db2.gz QGHWEYWLDBNYCJ-QMMMGPOBSA-N -1 1 289.314 1.782 20 0 CDADMM C[C@@H](CNC(=O)c1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001589864891 1173189507 /nfs/dbraw/zinc/18/95/07/1173189507.db2.gz QGHWEYWLDBNYCJ-QMMMGPOBSA-N -1 1 289.314 1.782 20 0 CDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)c1ccccn1 ZINC001589879543 1173191992 /nfs/dbraw/zinc/19/19/92/1173191992.db2.gz RRYGWSHAYJURQG-VIFPVBQESA-N -1 1 282.311 1.267 20 0 CDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)c1ccccn1 ZINC001589879543 1173192003 /nfs/dbraw/zinc/19/20/03/1173192003.db2.gz RRYGWSHAYJURQG-VIFPVBQESA-N -1 1 282.311 1.267 20 0 CDADMM CC(NC(=O)c1coc(-c2nnn[n-]2)c1)(C1CC1)C1CC1 ZINC001589948008 1173208659 /nfs/dbraw/zinc/20/86/59/1173208659.db2.gz DFIMNCKVTRQSLK-UHFFFAOYSA-N -1 1 287.323 1.768 20 0 CDADMM CC(NC(=O)c1coc(-c2nn[n-]n2)c1)(C1CC1)C1CC1 ZINC001589948008 1173208666 /nfs/dbraw/zinc/20/86/66/1173208666.db2.gz DFIMNCKVTRQSLK-UHFFFAOYSA-N -1 1 287.323 1.768 20 0 CDADMM C[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ccccn1 ZINC001589980934 1173221711 /nfs/dbraw/zinc/22/17/11/1173221711.db2.gz QODCWFGSDQLORI-MRVPVSSYSA-N -1 1 268.284 1.225 20 0 CDADMM C[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ccccn1 ZINC001589980934 1173221714 /nfs/dbraw/zinc/22/17/14/1173221714.db2.gz QODCWFGSDQLORI-MRVPVSSYSA-N -1 1 268.284 1.225 20 0 CDADMM C[C@H](O)C(C)(C)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589993464 1173224911 /nfs/dbraw/zinc/22/49/11/1173224911.db2.gz WYWVVYPRSVCOSH-ZETCQYMHSA-N -1 1 289.343 1.105 20 0 CDADMM C[C@H](O)C(C)(C)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589993464 1173224919 /nfs/dbraw/zinc/22/49/19/1173224919.db2.gz WYWVVYPRSVCOSH-ZETCQYMHSA-N -1 1 289.343 1.105 20 0 CDADMM C[C@@H](CNC(=O)c1csc(-c2nn[n-]n2)c1)C[C@H](C)O ZINC001589999740 1173229531 /nfs/dbraw/zinc/22/95/31/1173229531.db2.gz ZGSZVVSKPZSDOZ-SFYZADRCSA-N -1 1 295.368 1.065 20 0 CDADMM CC1(C)C[C@H](Nc2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001590083691 1173248252 /nfs/dbraw/zinc/24/82/52/1173248252.db2.gz JHNMDHSMPSAYMV-SNVBAGLBSA-N -1 1 274.328 1.053 20 0 CDADMM CC1(C)CCCC[C@H]1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001590093991 1173254130 /nfs/dbraw/zinc/25/41/30/1173254130.db2.gz AAUIKDXDHPPEJA-VIFPVBQESA-N -1 1 289.343 1.502 20 0 CDADMM CC1(C)CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001590095881 1173258007 /nfs/dbraw/zinc/25/80/07/1173258007.db2.gz NFXSFTZCUQJNDX-VIFPVBQESA-N -1 1 273.344 1.895 20 0 CDADMM CC1(C)CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001590095881 1173258012 /nfs/dbraw/zinc/25/80/12/1173258012.db2.gz NFXSFTZCUQJNDX-VIFPVBQESA-N -1 1 273.344 1.895 20 0 CDADMM CC1(C)CO[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001590110772 1173260435 /nfs/dbraw/zinc/26/04/35/1173260435.db2.gz HOGBNTUTDRIYMK-VIFPVBQESA-N -1 1 289.343 1.274 20 0 CDADMM CC1(C)CO[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001590110772 1173260438 /nfs/dbraw/zinc/26/04/38/1173260438.db2.gz HOGBNTUTDRIYMK-VIFPVBQESA-N -1 1 289.343 1.274 20 0 CDADMM C[C@]1(c2ccccc2)C[C@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001590151544 1173273538 /nfs/dbraw/zinc/27/35/38/1173273538.db2.gz GDUYZMLIXAJEMX-IUODEOHRSA-N -1 1 293.334 1.799 20 0 CDADMM C[C@]1(c2ccccc2)C[C@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001590151544 1173273543 /nfs/dbraw/zinc/27/35/43/1173273543.db2.gz GDUYZMLIXAJEMX-IUODEOHRSA-N -1 1 293.334 1.799 20 0 CDADMM CC1(c2ccccc2)CN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590152905 1173275985 /nfs/dbraw/zinc/27/59/85/1173275985.db2.gz GLHQNMIASJXBHN-UHFFFAOYSA-N -1 1 293.334 1.435 20 0 CDADMM CC1(c2ccccc2)CN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590152905 1173275991 /nfs/dbraw/zinc/27/59/91/1173275991.db2.gz GLHQNMIASJXBHN-UHFFFAOYSA-N -1 1 293.334 1.435 20 0 CDADMM C[C@@H]1C[C@H](C)N(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590190129 1173283858 /nfs/dbraw/zinc/28/38/58/1173283858.db2.gz JSCZGYPLDPSCSQ-ZJUUUORDSA-N -1 1 286.339 1.061 20 0 CDADMM C[C@@H]1C[C@H](C)N(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590190129 1173283865 /nfs/dbraw/zinc/28/38/65/1173283865.db2.gz JSCZGYPLDPSCSQ-ZJUUUORDSA-N -1 1 286.339 1.061 20 0 CDADMM C[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)c2nccn21 ZINC001590202389 1173290512 /nfs/dbraw/zinc/29/05/12/1173290512.db2.gz GSKDRSPHYNZHJD-YUMQZZPRSA-N -1 1 299.294 1.092 20 0 CDADMM C[C@@H]1CC[C@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590239653 1173310007 /nfs/dbraw/zinc/31/00/07/1173310007.db2.gz JVFNWNDXMDEXOE-HTRCEHHLSA-N -1 1 263.326 1.457 20 0 CDADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC[C@@H]1O ZINC001590314129 1173350735 /nfs/dbraw/zinc/35/07/35/1173350735.db2.gz ZMIQJADHSQEKAS-APPZFPTMSA-N -1 1 294.746 1.122 20 0 CDADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC[C@@H]1O ZINC001590314129 1173350740 /nfs/dbraw/zinc/35/07/40/1173350740.db2.gz ZMIQJADHSQEKAS-APPZFPTMSA-N -1 1 294.746 1.122 20 0 CDADMM CC[C@@H]1C[C@@H](OC(=O)c2coc(-c3nnn[n-]3)c2)CCO1 ZINC001590503831 1173438741 /nfs/dbraw/zinc/43/87/41/1173438741.db2.gz BUNXRUQYVQYGCD-ZJUUUORDSA-N -1 1 292.295 1.574 20 0 CDADMM CC[C@@H]1C[C@@H](OC(=O)c2coc(-c3nn[n-]n3)c2)CCO1 ZINC001590503831 1173438743 /nfs/dbraw/zinc/43/87/43/1173438743.db2.gz BUNXRUQYVQYGCD-ZJUUUORDSA-N -1 1 292.295 1.574 20 0 CDADMM CCCCCCC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590590891 1173467928 /nfs/dbraw/zinc/46/79/28/1173467928.db2.gz ZSXPKVXOUMKJNN-UHFFFAOYSA-N -1 1 277.332 1.509 20 0 CDADMM CCCCCCC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590590891 1173467932 /nfs/dbraw/zinc/46/79/32/1173467932.db2.gz ZSXPKVXOUMKJNN-UHFFFAOYSA-N -1 1 277.332 1.509 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2C3CCC2CC3)n1 ZINC001590904560 1173538130 /nfs/dbraw/zinc/53/81/30/1173538130.db2.gz GXOGYUIINACOFK-UHFFFAOYSA-N -1 1 271.328 1.350 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2C3CCC2CC3)n1 ZINC001590904560 1173538135 /nfs/dbraw/zinc/53/81/35/1173538135.db2.gz GXOGYUIINACOFK-UHFFFAOYSA-N -1 1 271.328 1.350 20 0 CDADMM CCc1onc(C)c1CNc1cncc(-c2nnn[n-]2)n1 ZINC001590938151 1173545906 /nfs/dbraw/zinc/54/59/06/1173545906.db2.gz PERPVWQHVNKWPZ-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CCc1onc(C)c1CNc1cncc(-c2nn[n-]n2)n1 ZINC001590938151 1173545910 /nfs/dbraw/zinc/54/59/10/1173545910.db2.gz PERPVWQHVNKWPZ-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CCn1c(C)nnc1SCc1ccc(-c2nnn[n-]2)o1 ZINC001590944697 1173546592 /nfs/dbraw/zinc/54/65/92/1173546592.db2.gz PQQHUVWYUHDRHS-UHFFFAOYSA-N -1 1 291.340 1.672 20 0 CDADMM CCn1c(C)nnc1SCc1ccc(-c2nn[n-]n2)o1 ZINC001590944697 1173546598 /nfs/dbraw/zinc/54/65/98/1173546598.db2.gz PQQHUVWYUHDRHS-UHFFFAOYSA-N -1 1 291.340 1.672 20 0 CDADMM CN(C(=O)C[C@@H]1CC=CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590980521 1173556501 /nfs/dbraw/zinc/55/65/01/1173556501.db2.gz NODGPSWNZSLYDU-LLVKDONJSA-N -1 1 298.350 1.971 20 0 CDADMM CN(C(=O)C[C@@H]1CC=CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590980521 1173556505 /nfs/dbraw/zinc/55/65/05/1173556505.db2.gz NODGPSWNZSLYDU-LLVKDONJSA-N -1 1 298.350 1.971 20 0 CDADMM CN(Cc1ccccn1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591147349 1173579164 /nfs/dbraw/zinc/57/91/64/1173579164.db2.gz GUASNNNPJLVJFQ-UHFFFAOYSA-N -1 1 284.279 1.127 20 0 CDADMM CN(Cc1ccccn1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591147349 1173579170 /nfs/dbraw/zinc/57/91/70/1173579170.db2.gz GUASNNNPJLVJFQ-UHFFFAOYSA-N -1 1 284.279 1.127 20 0 CDADMM CN(Cc1ccccn1)c1cccnc1-c1nnn[n-]1 ZINC001591147434 1173581087 /nfs/dbraw/zinc/58/10/87/1173581087.db2.gz KNHCYGRZGOGWSX-UHFFFAOYSA-N -1 1 267.296 1.293 20 0 CDADMM CN(Cc1ccccn1)c1cccnc1-c1nn[n-]n1 ZINC001591147434 1173581091 /nfs/dbraw/zinc/58/10/91/1173581091.db2.gz KNHCYGRZGOGWSX-UHFFFAOYSA-N -1 1 267.296 1.293 20 0 CDADMM CO[C@@]1(C)CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001591338806 1173617622 /nfs/dbraw/zinc/61/76/22/1173617622.db2.gz NSQXTQYRHMWBRD-ZDUSSCGKSA-N -1 1 289.343 1.052 20 0 CDADMM CO[C@@]1(C)CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001591338806 1173617628 /nfs/dbraw/zinc/61/76/28/1173617628.db2.gz NSQXTQYRHMWBRD-ZDUSSCGKSA-N -1 1 289.343 1.052 20 0 CDADMM COCCCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591416657 1173649154 /nfs/dbraw/zinc/64/91/54/1173649154.db2.gz MSTZIZSJIJSLBA-UHFFFAOYSA-N -1 1 274.737 1.425 20 0 CDADMM CSC(C)(C)CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591685161 1173678476 /nfs/dbraw/zinc/67/84/76/1173678476.db2.gz RZSLDHFRRVUIQO-UHFFFAOYSA-N -1 1 281.341 1.331 20 0 CDADMM CSC(C)(C)CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591685161 1173678481 /nfs/dbraw/zinc/67/84/81/1173678481.db2.gz RZSLDHFRRVUIQO-UHFFFAOYSA-N -1 1 281.341 1.331 20 0 CDADMM COc1ccc(CNc2cc(-c3nnn[n-]3)nc(C)n2)cc1 ZINC001591601168 1173674440 /nfs/dbraw/zinc/67/44/40/1173674440.db2.gz VGSSPANLGOWMPC-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1ccc(CNc2cc(-c3nn[n-]n3)nc(C)n2)cc1 ZINC001591601168 1173674443 /nfs/dbraw/zinc/67/44/43/1173674443.db2.gz VGSSPANLGOWMPC-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM C[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001591730153 1173692875 /nfs/dbraw/zinc/69/28/75/1173692875.db2.gz VZUPRPQSBYBQJP-SECBINFHSA-N -1 1 283.291 1.951 20 0 CDADMM C[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001591730153 1173692878 /nfs/dbraw/zinc/69/28/78/1173692878.db2.gz VZUPRPQSBYBQJP-SECBINFHSA-N -1 1 283.291 1.951 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C)C[C@H]2C)n1 ZINC001591884427 1173737846 /nfs/dbraw/zinc/73/78/46/1173737846.db2.gz ZNHBRNZYSBVGEP-IONNQARKSA-N -1 1 259.317 1.200 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C)C[C@H]2C)n1 ZINC001591884427 1173737855 /nfs/dbraw/zinc/73/78/55/1173737855.db2.gz ZNHBRNZYSBVGEP-IONNQARKSA-N -1 1 259.317 1.200 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2C(C)(C)C2(F)F)n1 ZINC001591895145 1173741757 /nfs/dbraw/zinc/74/17/57/1173741757.db2.gz UFJKXZCTTRLUOM-QMMMGPOBSA-N -1 1 295.297 1.668 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2C(C)(C)C2(F)F)n1 ZINC001591895145 1173741763 /nfs/dbraw/zinc/74/17/63/1173741763.db2.gz UFJKXZCTTRLUOM-QMMMGPOBSA-N -1 1 295.297 1.668 20 0 CDADMM Cc1cc(F)cc(NC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001591991658 1173768300 /nfs/dbraw/zinc/76/83/00/1173768300.db2.gz XUKMOYKMGVZZEN-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1cc(F)cc(NC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001591991658 1173768303 /nfs/dbraw/zinc/76/83/03/1173768303.db2.gz XUKMOYKMGVZZEN-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1cc(N2CC[C@@H]3COC[C@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001592005089 1173771874 /nfs/dbraw/zinc/77/18/74/1173771874.db2.gz RLPVUYWXIVOFQU-GHMZBOCLSA-N -1 1 286.339 1.043 20 0 CDADMM Cc1cc(N2CC[C@@H]3COC[C@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001592005089 1173771878 /nfs/dbraw/zinc/77/18/78/1173771878.db2.gz RLPVUYWXIVOFQU-GHMZBOCLSA-N -1 1 286.339 1.043 20 0 CDADMM Cc1cc(N[C@H](C)c2ccccn2)cc(-c2nnn[n-]2)n1 ZINC001592034954 1173778105 /nfs/dbraw/zinc/77/81/05/1173778105.db2.gz PMFOKBXHYCEMKF-SNVBAGLBSA-N -1 1 281.323 1.560 20 0 CDADMM Cc1cc(N[C@H](C)c2ccccn2)cc(-c2nn[n-]n2)n1 ZINC001592034954 1173778110 /nfs/dbraw/zinc/77/81/10/1173778110.db2.gz PMFOKBXHYCEMKF-SNVBAGLBSA-N -1 1 281.323 1.560 20 0 CDADMM Cc1cc(NC2COC(C)(C)OC2)nc(-c2nnn[n-]2)c1 ZINC001592040495 1173781220 /nfs/dbraw/zinc/78/12/20/1173781220.db2.gz ZLBCJUSXTVLRDI-UHFFFAOYSA-N -1 1 290.327 1.134 20 0 CDADMM Cc1cc(NC2COC(C)(C)OC2)nc(-c2nn[n-]n2)c1 ZINC001592040495 1173781224 /nfs/dbraw/zinc/78/12/24/1173781224.db2.gz ZLBCJUSXTVLRDI-UHFFFAOYSA-N -1 1 290.327 1.134 20 0 CDADMM Cc1cc(N[C@H]2CCCC23CC3)cc(-c2nnn[n-]2)n1 ZINC001592036834 1173782194 /nfs/dbraw/zinc/78/21/94/1173782194.db2.gz ATEZQEGOCOFQHI-LBPRGKRZSA-N -1 1 270.340 1.737 20 0 CDADMM Cc1cc(N[C@H]2CCCC23CC3)cc(-c2nn[n-]n2)n1 ZINC001592036834 1173782201 /nfs/dbraw/zinc/78/22/01/1173782201.db2.gz ATEZQEGOCOFQHI-LBPRGKRZSA-N -1 1 270.340 1.737 20 0 CDADMM Cc1cc(NCC[C@@H](O)C2CC2)cc(-c2nnn[n-]2)n1 ZINC001592045945 1173784307 /nfs/dbraw/zinc/78/43/07/1173784307.db2.gz MBKDEMRBDYWPRB-GFCCVEGCSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cc(NCC[C@@H](O)C2CC2)cc(-c2nn[n-]n2)n1 ZINC001592045945 1173784311 /nfs/dbraw/zinc/78/43/11/1173784311.db2.gz MBKDEMRBDYWPRB-GFCCVEGCSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cc(NCCO[C@H]2CC2(F)F)cc(-c2nnn[n-]2)n1 ZINC001592050685 1173785732 /nfs/dbraw/zinc/78/57/32/1173785732.db2.gz SVIWTWVNIYLAOV-JTQLQIEISA-N -1 1 296.281 1.406 20 0 CDADMM Cc1cc(NCCO[C@H]2CC2(F)F)cc(-c2nn[n-]n2)n1 ZINC001592050685 1173785740 /nfs/dbraw/zinc/78/57/40/1173785740.db2.gz SVIWTWVNIYLAOV-JTQLQIEISA-N -1 1 296.281 1.406 20 0 CDADMM Cc1ccc(CN(c2cncc(-c3nnn[n-]3)n2)C2CC2)o1 ZINC001592152839 1173814479 /nfs/dbraw/zinc/81/44/79/1173814479.db2.gz LQGAFCNKAYFCMU-UHFFFAOYSA-N -1 1 297.322 1.727 20 0 CDADMM Cc1ccc(CN(c2cncc(-c3nn[n-]n3)n2)C2CC2)o1 ZINC001592152839 1173814487 /nfs/dbraw/zinc/81/44/87/1173814487.db2.gz LQGAFCNKAYFCMU-UHFFFAOYSA-N -1 1 297.322 1.727 20 0 CDADMM Cc1ccc(CSc2ccnc(-c3nn[n-]n3)n2)o1 ZINC001592169566 1173821242 /nfs/dbraw/zinc/82/12/42/1173821242.db2.gz UUINEZLHUGYHGG-UHFFFAOYSA-N -1 1 274.309 1.850 20 0 CDADMM Cc1ccc(N2CC[C@@H](CF)C2)nc1-c1nnn[n-]1 ZINC001592174981 1173823656 /nfs/dbraw/zinc/82/36/56/1173823656.db2.gz ODVQEKUZCFKPNA-VIFPVBQESA-N -1 1 262.292 1.366 20 0 CDADMM Cc1ccc(NCC(C)(C)[C@@H](C)O)c(-c2nnn[n-]2)n1 ZINC001592182834 1173825765 /nfs/dbraw/zinc/82/57/65/1173825765.db2.gz BHPSCVOCFSIHJD-SECBINFHSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1ccc(NCC(C)(C)[C@@H](C)O)c(-c2nn[n-]n2)n1 ZINC001592182834 1173825769 /nfs/dbraw/zinc/82/57/69/1173825769.db2.gz BHPSCVOCFSIHJD-SECBINFHSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1ccc(NCC[C@@H](O)C2CC2)c(-c2nnn[n-]2)n1 ZINC001592182900 1173826278 /nfs/dbraw/zinc/82/62/78/1173826278.db2.gz DJWVVOXEZLXXLL-LLVKDONJSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1ccc(NCC[C@@H](O)C2CC2)c(-c2nn[n-]n2)n1 ZINC001592182900 1173826281 /nfs/dbraw/zinc/82/62/81/1173826281.db2.gz DJWVVOXEZLXXLL-LLVKDONJSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1ccc2c(c1)N(c1ncncc1-c1nn[n-]n1)CC2 ZINC001592206229 1173833180 /nfs/dbraw/zinc/83/31/80/1173833180.db2.gz VVXAOJALLAAREH-UHFFFAOYSA-N -1 1 279.307 1.659 20 0 CDADMM Cc1ccoc1CN(C)c1cccnc1-c1nnn[n-]1 ZINC001592281866 1173846090 /nfs/dbraw/zinc/84/60/90/1173846090.db2.gz GZTNPHLDMIQFLQ-UHFFFAOYSA-N -1 1 270.296 1.800 20 0 CDADMM Cc1ccoc1CN(C)c1cccnc1-c1nn[n-]n1 ZINC001592281866 1173846094 /nfs/dbraw/zinc/84/60/94/1173846094.db2.gz GZTNPHLDMIQFLQ-UHFFFAOYSA-N -1 1 270.296 1.800 20 0 CDADMM Cc1conc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592311006 1173851690 /nfs/dbraw/zinc/85/16/90/1173851690.db2.gz VZUYKZYXQYMJAV-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1-c1nn[n-]n1 ZINC001592327350 1173855335 /nfs/dbraw/zinc/85/53/35/1173855335.db2.gz HFZISHNDDDKEIF-IWSPIJDZSA-N -1 1 287.327 1.273 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](C)C2)n1 ZINC001592340225 1173862368 /nfs/dbraw/zinc/86/23/68/1173862368.db2.gz FCZAEVZRVNPSDJ-QMMMGPOBSA-N -1 1 259.317 1.201 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](C)C2)n1 ZINC001592340225 1173862372 /nfs/dbraw/zinc/86/23/72/1173862372.db2.gz FCZAEVZRVNPSDJ-QMMMGPOBSA-N -1 1 259.317 1.201 20 0 CDADMM Cc1nc(NC(C)(C)C(F)F)cc(-c2nnn[n-]2)n1 ZINC001592376994 1173872711 /nfs/dbraw/zinc/87/27/11/1173872711.db2.gz KWACEHPNRGFLPE-UHFFFAOYSA-N -1 1 269.259 1.421 20 0 CDADMM Cc1nc(NC(C)(C)C(F)F)cc(-c2nn[n-]n2)n1 ZINC001592376994 1173872715 /nfs/dbraw/zinc/87/27/15/1173872715.db2.gz KWACEHPNRGFLPE-UHFFFAOYSA-N -1 1 269.259 1.421 20 0 CDADMM Cc1nc(NCc2ccccc2CO)cc(-c2nnn[n-]2)n1 ZINC001592396297 1173881669 /nfs/dbraw/zinc/88/16/69/1173881669.db2.gz YPDZZCCBQSLNBG-UHFFFAOYSA-N -1 1 297.322 1.070 20 0 CDADMM Cc1nc(NCc2ccccc2CO)cc(-c2nn[n-]n2)n1 ZINC001592396297 1173881677 /nfs/dbraw/zinc/88/16/77/1173881677.db2.gz YPDZZCCBQSLNBG-UHFFFAOYSA-N -1 1 297.322 1.070 20 0 CDADMM FC(F)(F)c1ccc(Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001592619890 1173929684 /nfs/dbraw/zinc/92/96/84/1173929684.db2.gz LIOPKBBBLIFALV-UHFFFAOYSA-N -1 1 295.228 1.525 20 0 CDADMM FC(F)C1(NCc2csc(-c3nn[n-]n3)c2)CC1 ZINC001592624769 1173932640 /nfs/dbraw/zinc/93/26/40/1173932640.db2.gz MZVLPMHXWZHULW-UHFFFAOYSA-N -1 1 271.296 1.816 20 0 CDADMM FC1(F)CCCC[C@H]1Cn1cc(-c2nn[n-]n2)nn1 ZINC001592629066 1173937465 /nfs/dbraw/zinc/93/74/65/1173937465.db2.gz ZZUBTWBIHLTPHZ-ZETCQYMHSA-N -1 1 269.259 1.284 20 0 CDADMM FC1(F)CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001592629204 1173937981 /nfs/dbraw/zinc/93/79/81/1173937981.db2.gz DXAWLDUTOUAXLX-UHFFFAOYSA-N -1 1 293.281 1.282 20 0 CDADMM FC1(F)CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001592629204 1173937985 /nfs/dbraw/zinc/93/79/85/1173937985.db2.gz DXAWLDUTOUAXLX-UHFFFAOYSA-N -1 1 293.281 1.282 20 0 CDADMM Fc1ncccc1CNc1cccnc1-c1nnn[n-]1 ZINC001592663190 1173957311 /nfs/dbraw/zinc/95/73/11/1173957311.db2.gz VNWIHMQZPFRPFC-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM Fc1ncccc1CNc1cccnc1-c1nn[n-]n1 ZINC001592663190 1173957314 /nfs/dbraw/zinc/95/73/14/1173957314.db2.gz VNWIHMQZPFRPFC-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C[C@@H]1CC=CCC1 ZINC001592752829 1173985154 /nfs/dbraw/zinc/98/51/54/1173985154.db2.gz AKHRQEUJPRSQFC-MRVPVSSYSA-N -1 1 273.300 1.032 20 0 CDADMM O=C(CCC1CCC1)Nc1ncc(-c2nnn[n-]2)s1 ZINC001592829755 1173996245 /nfs/dbraw/zinc/99/62/45/1173996245.db2.gz ITNLNCWZNHSQFX-UHFFFAOYSA-N -1 1 278.341 1.842 20 0 CDADMM O=C(CCC1CCC1)Nc1ncc(-c2nn[n-]n2)s1 ZINC001592829755 1173996251 /nfs/dbraw/zinc/99/62/51/1173996251.db2.gz ITNLNCWZNHSQFX-UHFFFAOYSA-N -1 1 278.341 1.842 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1ccc(F)cc1 ZINC001592915296 1174002801 /nfs/dbraw/zinc/00/28/01/1174002801.db2.gz HJELSZZRECWJIW-UHFFFAOYSA-N -1 1 298.281 1.582 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1ccc(F)cc1 ZINC001592915296 1174002808 /nfs/dbraw/zinc/00/28/08/1174002808.db2.gz HJELSZZRECWJIW-UHFFFAOYSA-N -1 1 298.281 1.582 20 0 CDADMM O=C(NC12CCC(CC1)C2)c1ccc(-c2nnn[n-]2)nc1 ZINC001592962168 1174005718 /nfs/dbraw/zinc/00/57/18/1174005718.db2.gz BATFCOFUSAWWDE-UHFFFAOYSA-N -1 1 284.323 1.324 20 0 CDADMM O=C(NC12CCC(CC1)C2)c1ccc(-c2nn[n-]n2)nc1 ZINC001592962168 1174005727 /nfs/dbraw/zinc/00/57/27/1174005727.db2.gz BATFCOFUSAWWDE-UHFFFAOYSA-N -1 1 284.323 1.324 20 0 CDADMM O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1coc(-c2nnn[n-]2)c1 ZINC001592973139 1174009810 /nfs/dbraw/zinc/00/98/10/1174009810.db2.gz QXMUXCDPRNNJKR-SZEHBUNVSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1coc(-c2nn[n-]n2)c1 ZINC001592973139 1174009812 /nfs/dbraw/zinc/00/98/12/1174009812.db2.gz QXMUXCDPRNNJKR-SZEHBUNVSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(NCC1CC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001593026835 1174016061 /nfs/dbraw/zinc/01/60/61/1174016061.db2.gz BOPCVOJBFLNZMY-UHFFFAOYSA-N -1 1 299.747 1.508 20 0 CDADMM O=C(NCCC[C@H]1CCOC1)c1coc(-c2nnn[n-]2)c1 ZINC001593067005 1174021109 /nfs/dbraw/zinc/02/11/09/1174021109.db2.gz RNRLXEFOMVWDAA-VIFPVBQESA-N -1 1 291.311 1.006 20 0 CDADMM O=C(NCCC[C@H]1CCOC1)c1coc(-c2nn[n-]n2)c1 ZINC001593067005 1174021116 /nfs/dbraw/zinc/02/11/16/1174021116.db2.gz RNRLXEFOMVWDAA-VIFPVBQESA-N -1 1 291.311 1.006 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)OCC1CC1 ZINC001593136200 1174023629 /nfs/dbraw/zinc/02/36/29/1174023629.db2.gz BVVXGYLWKZXFNV-UHFFFAOYSA-N -1 1 279.325 1.564 20 0 CDADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)[C@H]1C[C@H]1F ZINC001593122052 1174025149 /nfs/dbraw/zinc/02/51/49/1174025149.db2.gz VJLOBTIZQYQNIE-NKWVEPMBSA-N -1 1 297.240 1.119 20 0 CDADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)[C@H]1C[C@H]1F ZINC001593122052 1174025153 /nfs/dbraw/zinc/02/51/53/1174025153.db2.gz VJLOBTIZQYQNIE-NKWVEPMBSA-N -1 1 297.240 1.119 20 0 CDADMM O=C(NCc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)o1 ZINC001593138107 1174025191 /nfs/dbraw/zinc/02/51/91/1174025191.db2.gz RBTMIFBZMAIQOM-UHFFFAOYSA-N -1 1 287.254 1.529 20 0 CDADMM O=C(NCc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593138107 1174025193 /nfs/dbraw/zinc/02/51/93/1174025193.db2.gz RBTMIFBZMAIQOM-UHFFFAOYSA-N -1 1 287.254 1.529 20 0 CDADMM O=C(OCCC1(O)CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593286036 1174050852 /nfs/dbraw/zinc/05/08/52/1174050852.db2.gz AKBAJIFZWMUARM-UHFFFAOYSA-N -1 1 292.270 1.078 20 0 CDADMM O=C(OCCC1(O)CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593286036 1174050860 /nfs/dbraw/zinc/05/08/60/1174050860.db2.gz AKBAJIFZWMUARM-UHFFFAOYSA-N -1 1 292.270 1.078 20 0 CDADMM O=C(OCCC1(O)CCC1)c1sccc1-c1nn[n-]n1 ZINC001593286540 1174051712 /nfs/dbraw/zinc/05/17/12/1174051712.db2.gz JEZVPSHIQGTFST-UHFFFAOYSA-N -1 1 294.336 1.390 20 0 CDADMM O=C(OCC[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)o1 ZINC001593288116 1174055641 /nfs/dbraw/zinc/05/56/41/1174055641.db2.gz UROFACRVHLUBJP-VIFPVBQESA-N -1 1 292.295 1.576 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@H]2CCC[C@@H]21 ZINC001593338581 1174069086 /nfs/dbraw/zinc/06/90/86/1174069086.db2.gz DUTMQZAISKCSGG-ZJUUUORDSA-N -1 1 287.323 1.864 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@H]2CCC[C@@H]21 ZINC001593338581 1174069094 /nfs/dbraw/zinc/06/90/94/1174069094.db2.gz DUTMQZAISKCSGG-ZJUUUORDSA-N -1 1 287.323 1.864 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCC(=O)C1 ZINC001593387520 1174073031 /nfs/dbraw/zinc/07/30/31/1174073031.db2.gz LYAYUVCRYNZNBE-SSDOTTSWSA-N -1 1 292.320 1.341 20 0 CDADMM O=S(=O)(Cc1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC001593425724 1174077253 /nfs/dbraw/zinc/07/72/53/1174077253.db2.gz QXBZTVLFCGAYFH-UHFFFAOYSA-N -1 1 298.271 1.363 20 0 CDADMM O[C@H](CNc1ccnc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001593507498 1174091751 /nfs/dbraw/zinc/09/17/51/1174091751.db2.gz SBRMVCCJCFXLJH-CYBMUJFWSA-N -1 1 288.355 1.037 20 0 CDADMM O[C@H](CNc1ccnc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001593507498 1174091756 /nfs/dbraw/zinc/09/17/56/1174091756.db2.gz SBRMVCCJCFXLJH-CYBMUJFWSA-N -1 1 288.355 1.037 20 0 CDADMM c1cc(NC[C@@H]2CCC3(CCC3)O2)nc(-c2nnn[n-]2)c1 ZINC001593558452 1174134296 /nfs/dbraw/zinc/13/42/96/1174134296.db2.gz NQGNUGUTHZLOFG-JTQLQIEISA-N -1 1 286.339 1.775 20 0 CDADMM c1cc(NC[C@@H]2CCC3(CCC3)O2)nc(-c2nn[n-]n2)c1 ZINC001593558452 1174134301 /nfs/dbraw/zinc/13/43/01/1174134301.db2.gz NQGNUGUTHZLOFG-JTQLQIEISA-N -1 1 286.339 1.775 20 0 CDADMM c1nc(-c2nn[n-]n2)nn1CCSCc1ccccc1 ZINC001593575122 1174144669 /nfs/dbraw/zinc/14/46/69/1174144669.db2.gz OWOOHQFBAHAFRR-UHFFFAOYSA-N -1 1 287.352 1.392 20 0 CDADMM c1ccc([C@@H]2C[C@H]2CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001593577654 1174146108 /nfs/dbraw/zinc/14/61/08/1174146108.db2.gz WTFYSSRTJHZVDT-RYUDHWBXSA-N -1 1 293.334 1.872 20 0 CDADMM c1ccc([C@@H]2C[C@H]2CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001593577654 1174146112 /nfs/dbraw/zinc/14/61/12/1174146112.db2.gz WTFYSSRTJHZVDT-RYUDHWBXSA-N -1 1 293.334 1.872 20 0 CDADMM Cc1cc(NC(=O)[C@@H](C(C)C)N(C)C)nc(C)c1C(=O)[O-] ZINC001600250569 1174422004 /nfs/dbraw/zinc/42/20/04/1174422004.db2.gz VWPHKQNPOZDSFS-CYBMUJFWSA-N -1 1 293.367 1.921 20 0 CDADMM Cc1cc(NC(=O)CCCCc2cn[nH]n2)c(C(=O)[O-])[nH]1 ZINC001600254832 1174424807 /nfs/dbraw/zinc/42/48/07/1174424807.db2.gz UYQOUNRCVOEVST-UHFFFAOYSA-N -1 1 291.311 1.491 20 0 CDADMM Cc1nc([C@@H]2CCN(Cc3cc(C(=O)[O-])oc3C)C2)no1 ZINC001600697108 1174568030 /nfs/dbraw/zinc/56/80/30/1174568030.db2.gz QOORWUKSWCXMKD-SNVBAGLBSA-N -1 1 291.307 1.967 20 0 CDADMM Cc1ncsc1CCN1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001600759761 1174598588 /nfs/dbraw/zinc/59/85/88/1174598588.db2.gz UJTVOSBRCUYWRT-CYBMUJFWSA-N -1 1 295.364 1.299 20 0 CDADMM Cc1noc(C)c1CN1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001600809498 1174621090 /nfs/dbraw/zinc/62/10/90/1174621090.db2.gz YCRVZTBBJBGKAA-SNVBAGLBSA-N -1 1 291.311 1.028 20 0 CDADMM Cc1noc([C@H]2CCCN2CC2(CC(=O)[O-])CC2)n1 ZINC001600814117 1174624444 /nfs/dbraw/zinc/62/44/44/1174624444.db2.gz YZUWXIUOOXOMSV-SNVBAGLBSA-N -1 1 265.313 1.770 20 0 CDADMM NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1occc1C(=O)[O-] ZINC001601141009 1174760896 /nfs/dbraw/zinc/76/08/96/1174760896.db2.gz GHBSEBOWWATFGX-AUTRQRHGSA-N -1 1 278.308 1.064 20 0 CDADMM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001601571346 1174902664 /nfs/dbraw/zinc/90/26/64/1174902664.db2.gz HRXDQLCVKCDGNK-MNOVXSKESA-N -1 1 286.291 1.065 20 0 CDADMM O=C([O-])[C@H]1C[C@H](O)CN1Cc1ccc2[nH]ccc2c1 ZINC001601774681 1175000752 /nfs/dbraw/zinc/00/07/52/1175000752.db2.gz ZFYFKNQRYPOTAA-WCQYABFASA-N -1 1 260.293 1.188 20 0 CDADMM O=C([O-])C1CC2(C1)C[N@@H+](C[C@H]1CC=CCC1)C[C@@H]2C(=O)[O-] ZINC001601780498 1175003687 /nfs/dbraw/zinc/00/36/87/1175003687.db2.gz JNNDKSDFMNYJNC-OPXGVBIBSA-N -1 1 293.363 1.840 20 0 CDADMM O=C([O-])[C@H]1CCN(CN2CC[C@@H](c3ccccc3)C2=O)C1 ZINC001601825672 1175024660 /nfs/dbraw/zinc/02/46/60/1175024660.db2.gz KGWLGPGLUUBIMW-KBPBESRZSA-N -1 1 288.347 1.367 20 0 CDADMM O=C([O-])CCNC(=O)C[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC001602022452 1175112229 /nfs/dbraw/zinc/11/22/29/1175112229.db2.gz WJVZIVPTHPUWGF-AWEZNQCLSA-N -1 1 296.411 1.870 20 0 CDADMM O=C([O-])CN(Cc1ccnc(Cl)c1F)C1CC1 ZINC001602060289 1175122877 /nfs/dbraw/zinc/12/28/77/1175122877.db2.gz HEBNRVQPWDYCTD-UHFFFAOYSA-N -1 1 258.680 1.923 20 0 CDADMM O=C([O-])Cn1cc(CN[C@@H]2C[C@@H]2Cc2ccccc2)nn1 ZINC001602162197 1175147250 /nfs/dbraw/zinc/14/72/50/1175147250.db2.gz QOVRPYQRHVOMCP-GXTWGEPZSA-N -1 1 286.335 1.084 20 0 CDADMM O=C([O-])c1c[nH]c(CN2CC[C@H](O)C2)c1C1CC1 ZINC001602233224 1175175377 /nfs/dbraw/zinc/17/53/77/1175175377.db2.gz IJFXFXCMWXMBHA-VIFPVBQESA-N -1 1 250.298 1.157 20 0 CDADMM O=C([O-])c1ccc(C(=O)Nc2nc(-c3ccncc3)n[nH]2)o1 ZINC001602326151 1175206711 /nfs/dbraw/zinc/20/67/11/1175206711.db2.gz NNGUUTUPSFQLOT-UHFFFAOYSA-N -1 1 299.246 1.410 20 0 CDADMM O=C([O-])c1ccc(F)c(Cn2cc(CNC3CC3)nn2)c1 ZINC001602364343 1175225468 /nfs/dbraw/zinc/22/54/68/1175225468.db2.gz BUKDCJMWDBTOHG-UHFFFAOYSA-N -1 1 290.298 1.416 20 0 CDADMM O=C([O-])c1ccnc(-c2nc3cccnc3c(=O)[nH]2)c1 ZINC001602478146 1175252877 /nfs/dbraw/zinc/25/28/77/1175252877.db2.gz RQCBASHAIVBWJW-UHFFFAOYSA-N -1 1 268.232 1.491 20 0 CDADMM O=C([O-])c1cc(C2CCN(C[C@H]3CCC(=O)O3)CC2)no1 ZINC001602639950 1175335331 /nfs/dbraw/zinc/33/53/31/1175335331.db2.gz JWDWTJGKIPLXAP-SNVBAGLBSA-N -1 1 294.307 1.258 20 0 CDADMM C/C(=C/C(=O)OCc1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC001602900173 1175447822 /nfs/dbraw/zinc/44/78/22/1175447822.db2.gz CEZCRPTTXFWPNM-VURMDHGXSA-N -1 1 274.280 1.859 20 0 CDADMM C/C(=C/C(=O)OCc1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC001602900173 1175447827 /nfs/dbraw/zinc/44/78/27/1175447827.db2.gz CEZCRPTTXFWPNM-VURMDHGXSA-N -1 1 274.280 1.859 20 0 CDADMM C/C(=C/CN[C@@H](CCO)c1ccccc1F)C(=O)[O-] ZINC001602974511 1175468950 /nfs/dbraw/zinc/46/89/50/1175468950.db2.gz DIZHKYJAYQJPIS-HKBVPSITSA-N -1 1 267.300 1.870 20 0 CDADMM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603237596 1175522568 /nfs/dbraw/zinc/52/25/68/1175522568.db2.gz FEAQRTJEFTUHMN-SMDDNHRTSA-N -1 1 286.339 1.426 20 0 CDADMM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603237596 1175522575 /nfs/dbraw/zinc/52/25/75/1175522575.db2.gz FEAQRTJEFTUHMN-SMDDNHRTSA-N -1 1 286.339 1.426 20 0 CDADMM C[C@@H](C1CC1)N(C)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001603437403 1175552848 /nfs/dbraw/zinc/55/28/48/1175552848.db2.gz WWHXOQADQAFPMN-ZETCQYMHSA-N -1 1 277.353 1.799 20 0 CDADMM C[C@@H](C1CC1)N(C)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001603437403 1175552851 /nfs/dbraw/zinc/55/28/51/1175552851.db2.gz WWHXOQADQAFPMN-ZETCQYMHSA-N -1 1 277.353 1.799 20 0 CDADMM C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccc[nH]1 ZINC001603644700 1175584266 /nfs/dbraw/zinc/58/42/66/1175584266.db2.gz ZLLRATWPTICDPB-MRVPVSSYSA-N -1 1 283.295 1.081 20 0 CDADMM C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccc[nH]1 ZINC001603644700 1175584271 /nfs/dbraw/zinc/58/42/71/1175584271.db2.gz ZLLRATWPTICDPB-MRVPVSSYSA-N -1 1 283.295 1.081 20 0 CDADMM C[C@@]1(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CC=CCC1 ZINC001603748399 1175615366 /nfs/dbraw/zinc/61/53/66/1175615366.db2.gz NVGSRMGHVSGSDC-OAHLLOKOSA-N -1 1 298.350 1.624 20 0 CDADMM 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CDADMM CC(C)c1cc(C(=O)[O-])nc(NC[C@@H](O)c2cnc[nH]2)n1 ZINC001573531617 1170683412 /nfs/dbraw/zinc/68/34/12/1170683412.db2.gz RXHPBWRFIZBYNZ-LLVKDONJSA-N -1 1 291.311 1.167 20 0 CDADMM C[C@H](CNCc1nc(C(=O)[O-])n[nH]1)c1cc(F)cc(F)c1 ZINC001573550215 1170690316 /nfs/dbraw/zinc/69/03/16/1170690316.db2.gz DRFFGZAKWHUTCX-SSDOTTSWSA-N -1 1 296.277 1.674 20 0 CDADMM CO[C@@H]1CCCC[C@H]1NCc1noc(C)c1C(=O)[O-] ZINC001573993838 1170855793 /nfs/dbraw/zinc/85/57/93/1170855793.db2.gz XTGNCDFYABMNGL-MWLCHTKSSA-N -1 1 268.313 1.728 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(Cl)c[nH]2)n1 ZINC000585681460 342453327 /nfs/dbraw/zinc/45/33/27/342453327.db2.gz CXMUFBYNZJPWJN-UHFFFAOYSA-N -1 1 282.687 1.820 20 0 CDADMM O=C(NCCN1Cc2ccccc2C1)c1ncccc1[O-] ZINC000586756244 342466402 /nfs/dbraw/zinc/46/64/02/342466402.db2.gz ANULCHUPWMRCOK-UHFFFAOYSA-N -1 1 283.331 1.533 20 0 CDADMM O=C(CCn1ccnc1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000586754051 342466572 /nfs/dbraw/zinc/46/65/72/342466572.db2.gz XPBMBSQYIJLXSR-UHFFFAOYSA-N -1 1 287.348 1.785 20 0 CDADMM COC(=O)[C@H](NCc1ncccc1[O-])c1ccccc1 ZINC000589173238 342498227 /nfs/dbraw/zinc/49/82/27/342498227.db2.gz ROVVNGHCJKTDPP-CQSZACIVSA-N -1 1 272.304 1.791 20 0 CDADMM O=C(Cn1c(=O)onc1-c1cccnc1)c1ccc([O-])cc1 ZINC000590414205 342544444 /nfs/dbraw/zinc/54/44/44/342544444.db2.gz YWCPYUGUNSDZOX-UHFFFAOYSA-N -1 1 297.270 1.487 20 0 CDADMM CCn1ncc(Cl)c1C(=O)Nc1c(C)[n-][nH]c1=O ZINC000623028196 342534375 /nfs/dbraw/zinc/53/43/75/342534375.db2.gz CLFLGAGLXNGTKL-UHFFFAOYSA-N -1 1 269.692 1.546 20 0 CDADMM CS[C@@H](C)C[N-]S(=O)(=O)c1cc(C)ns1 ZINC000601375895 342558213 /nfs/dbraw/zinc/55/82/13/342558213.db2.gz UGJOGABFXHVMRY-ZETCQYMHSA-N -1 1 266.413 1.481 20 0 CDADMM CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc2c(cc1OC)OCO2 ZINC000650806267 398225567 /nfs/dbraw/zinc/22/55/67/398225567.db2.gz VOKOQGZPAUXFEC-JTQLQIEISA-N -1 1 281.308 1.719 20 0 CDADMM CCC[C@@H](NC(=O)c1cc(F)c(F)cc1F)c1nn[n-]n1 ZINC000124736762 187150949 /nfs/dbraw/zinc/15/09/49/187150949.db2.gz 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ZINC000599334662 344021424 /nfs/dbraw/zinc/02/14/24/344021424.db2.gz OQXVRKADGJFZDX-MRVPVSSYSA-N -1 1 263.276 1.149 20 0 CDADMM CC(C)[C@@H](O)CCNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000075491055 342311172 /nfs/dbraw/zinc/31/11/72/342311172.db2.gz BYMWNZYSJWQTAS-LBPRGKRZSA-N -1 1 289.335 1.060 20 0 CDADMM COc1ccc(C(=O)NC(C)(C)c2nn[n-]n2)c(C)c1 ZINC000354809469 365704546 /nfs/dbraw/zinc/70/45/46/365704546.db2.gz YXWSDTANXGWKBI-UHFFFAOYSA-N -1 1 275.312 1.182 20 0 CDADMM CC(C)(NC(=O)[C@H]1CSc2ccccc21)c1nn[n-]n1 ZINC000354798393 365698717 /nfs/dbraw/zinc/69/87/17/365698717.db2.gz XRWNVIIQDILTGT-VIFPVBQESA-N -1 1 289.364 1.441 20 0 CDADMM COC(=O)[C@H]1C[C@@H](NC(=O)c2c([O-])cccc2F)C1 ZINC000412753681 536823265 /nfs/dbraw/zinc/82/32/65/536823265.db2.gz VIEDNMFKRJYXQV-OCAPTIKFSA-N -1 1 267.256 1.213 20 0 CDADMM Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1c([O-])cccc1F ZINC000274583802 365722304 /nfs/dbraw/zinc/72/23/04/365722304.db2.gz AZPPOLZCPOUJAG-JTQLQIEISA-N -1 1 290.298 1.696 20 0 CDADMM CO[C@@H](CS(=O)(=O)[N-]c1cccc2[nH]nnc21)C(C)C ZINC000641690128 365727613 /nfs/dbraw/zinc/72/76/13/365727613.db2.gz VMDFNEOPELFDHY-NSHDSACASA-N -1 1 298.368 1.371 20 0 CDADMM CN(CCNC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000111776627 365739361 /nfs/dbraw/zinc/73/93/61/365739361.db2.gz OLVFDEOISVGDIX-UHFFFAOYSA-N -1 1 271.320 1.653 20 0 CDADMM CCC[C@@H](NC(=O)c1c(C)coc1C)c1nn[n-]n1 ZINC000339910528 362179161 /nfs/dbraw/zinc/17/91/61/362179161.db2.gz RIBJIVUHFCTJFA-SECBINFHSA-N -1 1 263.301 1.681 20 0 CDADMM CC(C)(NC(=O)c1cccc2ncccc21)c1nn[n-]n1 ZINC000095138206 342430516 /nfs/dbraw/zinc/43/05/16/342430516.db2.gz AFQFVJYZGRMFHP-UHFFFAOYSA-N -1 1 282.307 1.413 20 0 CDADMM CCC[C@H](NC(=O)C1C(C)(C)C1(C)C)c1nn[n-]n1 ZINC000095170404 342430765 /nfs/dbraw/zinc/43/07/65/342430765.db2.gz SKNGJFTUDUOROB-QMMMGPOBSA-N -1 1 265.361 1.839 20 0 CDADMM CCC[C@@H](NC(=O)c1ccnc(C2CC2)n1)c1nn[n-]n1 ZINC000095170485 342430798 /nfs/dbraw/zinc/43/07/98/342430798.db2.gz IUFPAGJFMSOYCI-SECBINFHSA-N -1 1 287.327 1.138 20 0 CDADMM Cc1occc1-c1nnc(SCc2nn[n-]n2)n1C ZINC000095209532 342430944 /nfs/dbraw/zinc/43/09/44/342430944.db2.gz MVBWEMJOWQWEQM-UHFFFAOYSA-N -1 1 277.313 1.189 20 0 CDADMM C[C@H](CN(C)C(=O)c1ccc(Cl)cn1)c1nn[n-]n1 ZINC000095225918 342431197 /nfs/dbraw/zinc/43/11/97/342431197.db2.gz KZKJVEHDDSFOIB-SSDOTTSWSA-N -1 1 280.719 1.124 20 0 CDADMM CCC[C@@H](C)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000095276551 342431341 /nfs/dbraw/zinc/43/13/41/342431341.db2.gz VBFMCBXUVOGTDO-ZJUUUORDSA-N -1 1 251.334 1.342 20 0 CDADMM O=c1[n-]c(CN(C2CC2)[C@H]2CCc3ccccc32)n[nH]1 ZINC000091598937 342405973 /nfs/dbraw/zinc/40/59/73/342405973.db2.gz FFENRLFVQMFPIV-ZDUSSCGKSA-N -1 1 270.336 1.750 20 0 CDADMM COC[C@]1(C(=O)[O-])CCCN1CCOc1ccccc1F ZINC000643878903 362183584 /nfs/dbraw/zinc/18/35/84/362183584.db2.gz GBPBCOXKMDZDDJ-HNNXBMFYSA-N -1 1 297.326 1.770 20 0 CDADMM COc1ccc(O)c([N-]S(=O)(=O)CCC2CC2)c1 ZINC000092277421 342413954 /nfs/dbraw/zinc/41/39/54/342413954.db2.gz BARLQRKUTIBOHY-UHFFFAOYSA-N -1 1 271.338 1.943 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/nfs/dbraw/zinc/92/69/66/599926966.db2.gz PDVMFUUNLRTTBI-QMMMGPOBSA-N -1 1 270.354 1.378 20 0 CDADMM CCC[C@@](C)(NCC(=O)NCc1ccccc1)C(=O)[O-] ZINC000036808821 600152255 /nfs/dbraw/zinc/15/22/55/600152255.db2.gz HBMHVDUNKRFAQL-OAHLLOKOSA-N -1 1 278.352 1.536 20 0 CDADMM CCC[C@](C)(NCC(=O)NCC1CCC1)C(=O)[O-] ZINC000736965167 600152050 /nfs/dbraw/zinc/15/20/50/600152050.db2.gz TYOYIQHXTPWVPR-ZDUSSCGKSA-N -1 1 256.346 1.136 20 0 CDADMM CC[C@@H]1CCCCN1C(=O)CN[C@@](C)(CC)C(=O)[O-] ZINC000094228849 600559018 /nfs/dbraw/zinc/55/90/18/600559018.db2.gz MBDYVJABTQRFBI-RISCZKNCSA-N -1 1 270.373 1.620 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccn[nH]1 ZINC000833177743 601088467 /nfs/dbraw/zinc/08/84/67/601088467.db2.gz BMSYXZPRCMVQOY-DGCLKSJQSA-N -1 1 291.351 1.905 20 0 CDADMM C[C@H](CN(C)Cc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000388607276 601304484 /nfs/dbraw/zinc/30/44/84/601304484.db2.gz PVBSYKIOXDSBBA-MRVPVSSYSA-N -1 1 270.260 1.886 20 0 CDADMM C[C@H](CC(=O)[O-])N1CCN(C(=S)NC(C)(C)C)CC1 ZINC000827379925 601337569 /nfs/dbraw/zinc/33/75/69/601337569.db2.gz MDITVCJDOQVDRC-SNVBAGLBSA-N -1 1 287.429 1.140 20 0 CDADMM C[C@H]1[C@@H](c2ccccc2)CCN1Cn1cc(C(=O)[O-])nn1 ZINC000828151297 601342573 /nfs/dbraw/zinc/34/25/73/601342573.db2.gz UZHVIDMMYYWDJT-AAEUAGOBSA-N -1 1 286.335 1.812 20 0 CDADMM C[C@@H]1CN(Cc2nc(-c3ccco3)no2)C[C@@H]1C(=O)[O-] ZINC000111255739 601523660 /nfs/dbraw/zinc/52/36/60/601523660.db2.gz WSPSSTRUUJXLPR-BDAKNGLRSA-N -1 1 277.280 1.482 20 0 CDADMM COC(=O)c1ccoc1CN1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000831462258 601524084 /nfs/dbraw/zinc/52/40/84/601524084.db2.gz XECDDKUHIWXXFJ-WPRPVWTQSA-N -1 1 267.281 1.219 20 0 CDADMM CCOC(=O)[C@H](c1ccccc1)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000829827781 601537054 /nfs/dbraw/zinc/53/70/54/601537054.db2.gz QMOBCUZAQPVPKS-UBHSHLNASA-N -1 1 291.347 1.943 20 0 CDADMM O=C([O-])c1ccoc1CN1CCSC[C@@H]1CCO ZINC000689309615 601552928 /nfs/dbraw/zinc/55/29/28/601552928.db2.gz IQPAPFKBMMZAPO-VIFPVBQESA-N -1 1 271.338 1.278 20 0 CDADMM O=C([O-])c1sccc1CN1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC001602595160 1175313955 /nfs/dbraw/zinc/31/39/55/1175313955.db2.gz KCBROOGHFYJQSU-GXSJLCMTSA-N -1 1 294.376 1.547 20 0 CDADMM Cc1cc(CC(=O)N[C@H](C(=O)[O-])c2ccccc2)[nH]n1 ZINC000237596446 601673701 /nfs/dbraw/zinc/67/37/01/601673701.db2.gz VBGUMTFTFHUTTC-ZDUSSCGKSA-N -1 1 273.292 1.203 20 0 CDADMM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)CCc1nc[nH]n1 ZINC000833105211 602051651 /nfs/dbraw/zinc/05/16/51/602051651.db2.gz ZLXHQILCCKBLQI-QWRGUYRKSA-N -1 1 294.355 1.277 20 0 CDADMM Cc1cccc(CNC(=O)CN[C@H](C(=O)[O-])C(C)(C)C)c1 ZINC000832967115 602226780 /nfs/dbraw/zinc/22/67/80/602226780.db2.gz NIYUFMOIFPXVGA-CQSZACIVSA-N -1 1 292.379 1.700 20 0 CDADMM Cc1n[nH]c(C)c1NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C ZINC000832990300 602227368 /nfs/dbraw/zinc/22/73/68/602227368.db2.gz UGDMASPUXRYAHK-LLVKDONJSA-N -1 1 282.344 1.054 20 0 CDADMM Cc1nnc(SCC(=O)Nc2cc(C(=O)[O-])cs2)[nH]1 ZINC000832991551 604314166 /nfs/dbraw/zinc/31/41/66/604314166.db2.gz WQLKYYQTMVRLGT-UHFFFAOYSA-N -1 1 298.349 1.604 20 0 CDADMM Cc1n[nH]c(SCC(=O)Nc2cc(C(=O)[O-])cs2)n1 ZINC000832991551 604314168 /nfs/dbraw/zinc/31/41/68/604314168.db2.gz WQLKYYQTMVRLGT-UHFFFAOYSA-N -1 1 298.349 1.604 20 0 CDADMM Cc1cc(C[C@@H](C)NC(=O)c2ccnc(C(=O)[O-])c2)n[nH]1 ZINC000832883809 604347897 /nfs/dbraw/zinc/34/78/97/604347897.db2.gz QCUSCGSTGCQDMR-MRVPVSSYSA-N -1 1 288.307 1.172 20 0 CDADMM C/C(=C/CN1CCN(c2cc(C)ccn2)CC1)C(=O)[O-] ZINC000825747783 604391663 /nfs/dbraw/zinc/39/16/63/604391663.db2.gz YNDXVBOFOFXPEF-PQMHYQBVSA-N -1 1 275.352 1.543 20 0 CDADMM CC[C@]1(C)CC(=O)N(CN2CCC[C@H]2CC(=O)[O-])C1=O ZINC000833646574 604507832 /nfs/dbraw/zinc/50/78/32/604507832.db2.gz QYSHAELHDORKPZ-IINYFYTJSA-N -1 1 282.340 1.058 20 0 CDADMM Cc1cc(C[C@@H](C)NC(=O)c2ccc(C(=O)[O-])s2)n[nH]1 ZINC000832883864 604743419 /nfs/dbraw/zinc/74/34/19/604743419.db2.gz QSXYDALFEMCZRQ-SSDOTTSWSA-N -1 1 293.348 1.839 20 0 CDADMM CC(C)c1nc([C@H](C)NC(=O)C(C)(C)NC(=O)[O-])n[nH]1 ZINC000833512543 605072076 /nfs/dbraw/zinc/07/20/76/605072076.db2.gz PHPCXUYDPCWJFL-ZETCQYMHSA-N -1 1 283.332 1.152 20 0 CDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)C(F)=C1CCCC1 ZINC000833768090 605078341 /nfs/dbraw/zinc/07/83/41/605078341.db2.gz ZJKAICMSDBIGAV-JTQLQIEISA-N -1 1 281.287 1.319 20 0 CDADMM C/C(=C\COC(=O)c1ccc2c(C=O)[nH]nc2c1)C(=O)[O-] ZINC000833384787 605138649 /nfs/dbraw/zinc/13/86/49/605138649.db2.gz ROONVLWKQUPARZ-XBXARRHUSA-N -1 1 288.259 1.563 20 0 CDADMM CC(C)C[C@H]1CCCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000833483756 605174586 /nfs/dbraw/zinc/17/45/86/605174586.db2.gz REXBHFCBDDNNNN-OLZOCXBDSA-N -1 1 282.384 1.635 20 0 CDADMM CC1(C)CN(CC(F)(F)F)CCN1CCC(=O)[O-] ZINC000820211968 605201409 /nfs/dbraw/zinc/20/14/09/605201409.db2.gz PUDZMOXVHGWXGQ-UHFFFAOYSA-N -1 1 268.279 1.420 20 0 CDADMM CC(C)(CN1CCO[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000686653591 605239105 /nfs/dbraw/zinc/23/91/05/605239105.db2.gz YULBZNICOSELRA-ZDUSSCGKSA-N -1 1 263.337 1.750 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CN2CCOC[C@@H]2C2CC2)O1 ZINC000833576432 605376186 /nfs/dbraw/zinc/37/61/86/605376186.db2.gz AGSACIIALSCHIS-DGCLKSJQSA-N -1 1 267.325 1.245 20 0 CDADMM C[C@@]1(O)CCCN(Cc2cc(C(=O)[O-])ccc2F)C1 ZINC000231028535 605842518 /nfs/dbraw/zinc/84/25/18/605842518.db2.gz GZBBIAXVDSXHRX-CQSZACIVSA-N -1 1 267.300 1.871 20 0 CDADMM Cc1cncc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822399873 606188428 /nfs/dbraw/zinc/18/84/28/606188428.db2.gz OLHJOHYNPJDIIA-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM Cc1cncc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822399873 606188430 /nfs/dbraw/zinc/18/84/30/606188430.db2.gz OLHJOHYNPJDIIA-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM Cc1nsc(N(C)C(=O)[C@H]2C[C@@H]2C)c1-c1nnn[n-]1 ZINC000822530556 606237011 /nfs/dbraw/zinc/23/70/11/606237011.db2.gz HGRCEEQUZXOGFK-FSPLSTOPSA-N -1 1 278.341 1.250 20 0 CDADMM Cc1nsc(N(C)C(=O)[C@H]2C[C@@H]2C)c1-c1nn[n-]n1 ZINC000822530556 606237013 /nfs/dbraw/zinc/23/70/13/606237013.db2.gz HGRCEEQUZXOGFK-FSPLSTOPSA-N -1 1 278.341 1.250 20 0 CDADMM Cc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000822324119 606496161 /nfs/dbraw/zinc/49/61/61/606496161.db2.gz VYZGURZQYZGRCW-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM Cc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000822324119 606496163 /nfs/dbraw/zinc/49/61/63/606496163.db2.gz VYZGURZQYZGRCW-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM CCN(CC(C)(C)O)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821170006 606582167 /nfs/dbraw/zinc/58/21/67/606582167.db2.gz LFRWGUPQUYSRCL-UHFFFAOYSA-N -1 1 295.368 1.161 20 0 CDADMM CCN(CC(C)(C)O)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821170006 606582169 /nfs/dbraw/zinc/58/21/69/606582169.db2.gz LFRWGUPQUYSRCL-UHFFFAOYSA-N -1 1 295.368 1.161 20 0 CDADMM FC(F)Oc1ccc(Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000822733364 606655108 /nfs/dbraw/zinc/65/51/08/606655108.db2.gz ZKPSFPCXOSNSSI-UHFFFAOYSA-N -1 1 292.249 1.713 20 0 CDADMM FC(F)Oc1ccc(Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000822733364 606655109 /nfs/dbraw/zinc/65/51/09/606655109.db2.gz ZKPSFPCXOSNSSI-UHFFFAOYSA-N -1 1 292.249 1.713 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)n1 ZINC000823809674 606728346 /nfs/dbraw/zinc/72/83/46/606728346.db2.gz PIVPHHIJVGRKNC-BBBLOLIVSA-N -1 1 287.327 1.026 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)n1 ZINC000823809674 606728347 /nfs/dbraw/zinc/72/83/47/606728347.db2.gz PIVPHHIJVGRKNC-BBBLOLIVSA-N -1 1 287.327 1.026 20 0 CDADMM O=C(Nc1ccc(F)cc1[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000823345633 607160240 /nfs/dbraw/zinc/16/02/40/607160240.db2.gz AWPRHURTRDQCJR-UHFFFAOYSA-N -1 1 299.265 1.964 20 0 CDADMM O=C(N[C@@H]1CC2CCC1CC2)c1ccc(-c2nnn[n-]2)nc1 ZINC000823145204 607167979 /nfs/dbraw/zinc/16/79/79/607167979.db2.gz PADQBUWZDPGBCP-SRHKJQAYSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(N[C@@H]1CC2CCC1CC2)c1ccc(-c2nn[n-]n2)nc1 ZINC000823145204 607167980 /nfs/dbraw/zinc/16/79/80/607167980.db2.gz PADQBUWZDPGBCP-SRHKJQAYSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(NCCC1=CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826435926 607794974 /nfs/dbraw/zinc/79/49/74/607794974.db2.gz BRYMKRXSYFEIQM-UHFFFAOYSA-N -1 1 284.323 1.492 20 0 CDADMM O=C(NCCC1=CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826435926 607794975 /nfs/dbraw/zinc/79/49/75/607794975.db2.gz BRYMKRXSYFEIQM-UHFFFAOYSA-N -1 1 284.323 1.492 20 0 CDADMM C[C@@H]1CC[C@H](C)CN1c1cccc(-c2nnn[n-]2)n1 ZINC000824907230 607900913 /nfs/dbraw/zinc/90/09/13/607900913.db2.gz HDLANMABFNDUMI-VHSXEESVSA-N -1 1 258.329 1.887 20 0 CDADMM C[C@@H]1CC[C@H](C)CN1c1cccc(-c2nn[n-]n2)n1 ZINC000824907230 607900914 /nfs/dbraw/zinc/90/09/14/607900914.db2.gz HDLANMABFNDUMI-VHSXEESVSA-N -1 1 258.329 1.887 20 0 CDADMM Cc1cnc(CNc2cccc(-c3nnn[n-]3)n2)s1 ZINC000826318811 607901249 /nfs/dbraw/zinc/90/12/49/607901249.db2.gz ZZOGKTNXTMKHDU-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1cnc(CNc2cccc(-c3nn[n-]n3)n2)s1 ZINC000826318811 607901250 /nfs/dbraw/zinc/90/12/50/607901250.db2.gz ZZOGKTNXTMKHDU-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM C[C@]1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCCO1 ZINC000824784485 607997511 /nfs/dbraw/zinc/99/75/11/607997511.db2.gz VCNOIDFMBWDULS-CYBMUJFWSA-N -1 1 289.295 1.080 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C(F)(F)F ZINC000826450956 607999166 /nfs/dbraw/zinc/99/91/66/607999166.db2.gz KAVZWUQLIURGLB-UHFFFAOYSA-N -1 1 273.174 1.073 20 0 CDADMM C[C@H]1OCC[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000825021106 608148140 /nfs/dbraw/zinc/14/81/40/608148140.db2.gz OXVOLKRHSMUVGL-RFZPGFLSSA-N -1 1 286.748 1.566 20 0 CDADMM C[C@H]1OCC[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000825021106 608148138 /nfs/dbraw/zinc/14/81/38/608148138.db2.gz OXVOLKRHSMUVGL-RFZPGFLSSA-N -1 1 286.748 1.566 20 0 CDADMM C[C@@H]1OCC[C@H]1Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000825020199 608148307 /nfs/dbraw/zinc/14/83/07/608148307.db2.gz JFVFRXKWOYUIPA-WCBMZHEXSA-N -1 1 297.322 1.399 20 0 CDADMM C[C@@H]1OCC[C@H]1Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000825020199 608148309 /nfs/dbraw/zinc/14/83/09/608148309.db2.gz JFVFRXKWOYUIPA-WCBMZHEXSA-N -1 1 297.322 1.399 20 0 CDADMM C[C@@H](O)C(C)(C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000824677451 608193777 /nfs/dbraw/zinc/19/37/77/608193777.db2.gz DPNZVCZCFOHJGD-SCSAIBSYSA-N -1 1 288.764 1.548 20 0 CDADMM C[C@@H](O)C(C)(C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000824677451 608193778 /nfs/dbraw/zinc/19/37/78/608193778.db2.gz DPNZVCZCFOHJGD-SCSAIBSYSA-N -1 1 288.764 1.548 20 0 CDADMM C[C@]1(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CCCOC1 ZINC000824839130 608244768 /nfs/dbraw/zinc/24/47/68/608244768.db2.gz ZPWLTCOWKLLKLV-LBPRGKRZSA-N -1 1 294.746 1.896 20 0 CDADMM C[C@]1(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CCCOC1 ZINC000824839130 608244766 /nfs/dbraw/zinc/24/47/66/608244766.db2.gz ZPWLTCOWKLLKLV-LBPRGKRZSA-N -1 1 294.746 1.896 20 0 CDADMM CCS[C@H]1CCC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825668137 608429211 /nfs/dbraw/zinc/42/92/11/608429211.db2.gz BMDQNHQGZQHHFL-WPRPVWTQSA-N -1 1 291.384 1.743 20 0 CDADMM CCS[C@H]1CCC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825668137 608429212 /nfs/dbraw/zinc/42/92/12/608429212.db2.gz BMDQNHQGZQHHFL-WPRPVWTQSA-N -1 1 291.384 1.743 20 0 CDADMM COC[C@H]1CCCN(c2nc(-c3nn[n-]n3)ccc2C)C1 ZINC000826153608 608544513 /nfs/dbraw/zinc/54/45/13/608544513.db2.gz UOZFAXDHPIOFHP-NSHDSACASA-N -1 1 288.355 1.433 20 0 CDADMM CCOc1ccccc1Cn1ccnc1-c1nnn[n-]1 ZINC000825653360 608889556 /nfs/dbraw/zinc/88/95/56/608889556.db2.gz BOFGDGFOQHCXRZ-UHFFFAOYSA-N -1 1 270.296 1.510 20 0 CDADMM CCOc1ccccc1Cn1ccnc1-c1nn[n-]n1 ZINC000825653360 608889558 /nfs/dbraw/zinc/88/95/58/608889558.db2.gz BOFGDGFOQHCXRZ-UHFFFAOYSA-N -1 1 270.296 1.510 20 0 CDADMM Cc1cnc([C@H](C)Nc2cccc(-c3nnn[n-]3)n2)o1 ZINC000826317373 609435132 /nfs/dbraw/zinc/43/51/32/609435132.db2.gz ALJOMIOUMBVXDZ-QMMMGPOBSA-N -1 1 271.284 1.731 20 0 CDADMM Cc1cnc([C@H](C)Nc2cccc(-c3nn[n-]n3)n2)o1 ZINC000826317373 609435135 /nfs/dbraw/zinc/43/51/35/609435135.db2.gz ALJOMIOUMBVXDZ-QMMMGPOBSA-N -1 1 271.284 1.731 20 0 CDADMM C[C@]12CSC[C@H]1CN(C(=O)c1cncc([O-])c1)C2 ZINC000891180240 617375842 /nfs/dbraw/zinc/37/58/42/617375842.db2.gz FZVJMWFDOYYACG-MFKMUULPSA-N -1 1 264.350 1.612 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CC(C)(C)n1cc(C=C2SC(=O)[N-]C2=O)nn1 ZINC000901555140 624334497 /nfs/dbraw/zinc/33/44/97/624334497.db2.gz OGHSFSBOGZPSIO-DAXSKMNVSA-N -1 1 252.299 1.357 20 0 CDADMM Cc1c(Cl)cncc1[N-]S(=O)(=O)N=S(C)(C)=O ZINC000901673236 624390952 /nfs/dbraw/zinc/39/09/52/624390952.db2.gz IDDUWUQSXARKCS-UHFFFAOYSA-N -1 1 297.789 1.428 20 0 CDADMM Cc1nc2cccc(C(=O)NC(C)(C)C(=O)[O-])c2[nH]1 ZINC000902204529 624561461 /nfs/dbraw/zinc/56/14/61/624561461.db2.gz UVMFBNIHURFBFY-UHFFFAOYSA-N -1 1 261.281 1.464 20 0 CDADMM CCO[C@@H]1C[C@H](NCc2cc(C(=O)[O-])c(CC)o2)[C@@H]1OC ZINC000902439573 624810197 /nfs/dbraw/zinc/81/01/97/624810197.db2.gz MBHGOIIALSONOH-YUTCNCBUSA-N -1 1 297.351 1.822 20 0 CDADMM C[C@@H]1CCCC[C@H]1N(C)Cc1cn(CC(=O)[O-])nn1 ZINC000902512171 624884926 /nfs/dbraw/zinc/88/49/26/624884926.db2.gz SGQBTCMHQVJMOZ-ZYHUDNBSSA-N -1 1 266.345 1.373 20 0 CDADMM Cc1nc(CN2CCc3cc(C(=O)[O-])ccc3C2)n[nH]1 ZINC000903616435 626038050 /nfs/dbraw/zinc/03/80/50/626038050.db2.gz HYTFFLRBTBLMMH-UHFFFAOYSA-N -1 1 272.308 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CDADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1C[C@@H](C)[C@H]1C ZINC001604785570 1163322710 /nfs/dbraw/zinc/32/27/10/1163322710.db2.gz GHFBIRRNHIYVOE-GMTAPVOTSA-N -1 1 268.357 1.038 20 0 CDADMM CC[C@@H](C)c1nc([C@@H](C)Nc2nccc(C(=O)[O-])n2)n[nH]1 ZINC001604974991 1163403412 /nfs/dbraw/zinc/40/34/12/1163403412.db2.gz AHCIDVMBQAJQLU-HTQZYQBOSA-N -1 1 290.327 1.980 20 0 CDADMM COC/C(C)=C\COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001605045059 1163429564 /nfs/dbraw/zinc/42/95/64/1163429564.db2.gz UYXOSKOCCNHZNX-TWGQIWQCSA-N -1 1 289.295 1.011 20 0 CDADMM COC/C(C)=C\COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001605045059 1163429570 /nfs/dbraw/zinc/42/95/70/1163429570.db2.gz UYXOSKOCCNHZNX-TWGQIWQCSA-N -1 1 289.295 1.011 20 0 CDADMM COC[C@@H]1CCCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001605072508 1163442204 /nfs/dbraw/zinc/44/22/04/1163442204.db2.gz NMPYDLLNCRUDCF-LLVKDONJSA-N -1 1 288.355 1.515 20 0 CDADMM COC[C@@H]1CCCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001605072508 1163442206 /nfs/dbraw/zinc/44/22/06/1163442206.db2.gz NMPYDLLNCRUDCF-LLVKDONJSA-N -1 1 288.355 1.515 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3[C@@H](C2)C3(F)F)n1 ZINC001605559920 1163609279 /nfs/dbraw/zinc/60/92/79/1163609279.db2.gz LKDXINSCTXGLIE-JGVFFNPUSA-N -1 1 293.281 1.057 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3[C@@H](C2)C3(F)F)n1 ZINC001605559920 1163609280 /nfs/dbraw/zinc/60/92/80/1163609280.db2.gz LKDXINSCTXGLIE-JGVFFNPUSA-N -1 1 293.281 1.057 20 0 CDADMM Cc1cc(CNC(=O)c2csc(-c3nn[n-]n3)c2)no1 ZINC001605661354 1163637640 /nfs/dbraw/zinc/63/76/40/1163637640.db2.gz STQFAYPJOMPTET-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1cc(NC[C@H](C)C[C@@H](C)O)nc(-c2nnn[n-]2)c1 ZINC001605725950 1163652394 /nfs/dbraw/zinc/65/23/94/1163652394.db2.gz DHTSGNQWRSXWKP-NXEZZACHSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1cc(NC[C@H](C)C[C@@H](C)O)nc(-c2nn[n-]n2)c1 ZINC001605725950 1163652397 /nfs/dbraw/zinc/65/23/97/1163652397.db2.gz DHTSGNQWRSXWKP-NXEZZACHSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1ccc(N2CCCSCC2)nc1-c1nnn[n-]1 ZINC001605868121 1163697375 /nfs/dbraw/zinc/69/73/75/1163697375.db2.gz ZAIDCTMRKBZXIP-UHFFFAOYSA-N -1 1 276.369 1.513 20 0 CDADMM Cc1ccc(N2CCCSCC2)nc1-c1nn[n-]n1 ZINC001605868121 1163697377 /nfs/dbraw/zinc/69/73/77/1163697377.db2.gz ZAIDCTMRKBZXIP-UHFFFAOYSA-N -1 1 276.369 1.513 20 0 CDADMM Cc1ccc(NCCc2cccnc2C)c(-c2nnn[n-]2)n1 ZINC001605873159 1163699096 /nfs/dbraw/zinc/69/90/96/1163699096.db2.gz CVPRUMQWMGSGNT-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(NCCc2cccnc2C)c(-c2nn[n-]n2)n1 ZINC001605873159 1163699103 /nfs/dbraw/zinc/69/91/03/1163699103.db2.gz CVPRUMQWMGSGNT-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(OCCn2cc(-c3nn[n-]n3)ccc2=O)cc1 ZINC001605879221 1163704915 /nfs/dbraw/zinc/70/49/15/1163704915.db2.gz HFQQRNQOJZZMRA-UHFFFAOYSA-N -1 1 297.318 1.416 20 0 CDADMM Cc1csc(N(C)C(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001606005400 1163742795 /nfs/dbraw/zinc/74/27/95/1163742795.db2.gz UCGFLUDTLHTCNF-UHFFFAOYSA-N -1 1 290.308 1.501 20 0 CDADMM Cc1nc(CCn2ccc(-c3nn[n-]n3)cc2=O)cs1 ZINC001606041978 1163754902 /nfs/dbraw/zinc/75/49/02/1163754902.db2.gz COONELPYJGLNTI-UHFFFAOYSA-N -1 1 288.336 1.036 20 0 CDADMM Cc1nc(N[C@@H]2CCCC23CC3)cc(-c2nnn[n-]2)n1 ZINC001606062496 1163761446 /nfs/dbraw/zinc/76/14/46/1163761446.db2.gz BJYPVFDHJOCORT-SNVBAGLBSA-N -1 1 271.328 1.710 20 0 CDADMM Cc1nc(N[C@@H]2CCCC23CC3)cc(-c2nn[n-]n2)n1 ZINC001606062496 1163761449 /nfs/dbraw/zinc/76/14/49/1163761449.db2.gz BJYPVFDHJOCORT-SNVBAGLBSA-N -1 1 271.328 1.710 20 0 CDADMM CN(CC(=O)Nc1cc(C(=O)[O-])nn1C)CC(C)(C)C ZINC001606082663 1163768037 /nfs/dbraw/zinc/76/80/37/1163768037.db2.gz IYCVINKJQBIBMI-UHFFFAOYSA-N -1 1 282.344 1.035 20 0 CDADMM CN(CCCC(=O)[O-])C(=O)[C@H](N)c1cccc(Cl)c1 ZINC001606114784 1163775278 /nfs/dbraw/zinc/77/52/78/1163775278.db2.gz XHEWFXUFGSQBDB-GFCCVEGCSA-N -1 1 284.743 1.663 20 0 CDADMM Cc1noc(C)c1[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001606129352 1163783488 /nfs/dbraw/zinc/78/34/88/1163783488.db2.gz KMNKBAUSUMMPKG-LURJTMIESA-N -1 1 286.299 1.435 20 0 CDADMM Cc1noc(C)c1[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001606129352 1163783493 /nfs/dbraw/zinc/78/34/93/1163783493.db2.gz KMNKBAUSUMMPKG-LURJTMIESA-N -1 1 286.299 1.435 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@H](C)[C@H](C)C1 ZINC001606166329 1163793545 /nfs/dbraw/zinc/79/35/45/1163793545.db2.gz QGJAPUNWFUHBOL-DTWKUNHWSA-N -1 1 289.339 1.886 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@H](C)[C@H](C)C1 ZINC001606166329 1163793554 /nfs/dbraw/zinc/79/35/54/1163793554.db2.gz QGJAPUNWFUHBOL-DTWKUNHWSA-N -1 1 289.339 1.886 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCCCF ZINC001606170622 1163796230 /nfs/dbraw/zinc/79/62/30/1163796230.db2.gz KYYNYDSMROFSMZ-UHFFFAOYSA-N -1 1 268.248 1.675 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCCCF ZINC001606170622 1163796239 /nfs/dbraw/zinc/79/62/39/1163796239.db2.gz KYYNYDSMROFSMZ-UHFFFAOYSA-N -1 1 268.248 1.675 20 0 CDADMM Fc1cccc2c1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001606333309 1163864004 /nfs/dbraw/zinc/86/40/04/1163864004.db2.gz TXCPVSUOMZDBHM-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM Fc1cccc2c1CN(c1ncncc1-c1nn[n-]n1)CC2 ZINC001606333801 1163864465 /nfs/dbraw/zinc/86/44/65/1163864465.db2.gz ZXGLUTALZZJOBE-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM O=C(NC/C=C\Cl)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606752545 1163983462 /nfs/dbraw/zinc/98/34/62/1163983462.db2.gz JZTJRAOAUSDOHI-IWQZZHSRSA-N -1 1 279.691 1.136 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NCC1CC1 ZINC001606830532 1164006802 /nfs/dbraw/zinc/00/68/02/1164006802.db2.gz GAULWIPURINWEC-UHFFFAOYSA-N -1 1 278.341 1.137 20 0 CDADMM O=C(NOCc1ccccc1)c1ccc(-c2nn[n-]n2)o1 ZINC001606864135 1164019899 /nfs/dbraw/zinc/01/98/99/1164019899.db2.gz WXFJPUPZIHLEBS-UHFFFAOYSA-N -1 1 285.263 1.321 20 0 CDADMM O=C(Nc1cccnc1F)c1ccsc1-c1nnn[n-]1 ZINC001606940271 1164034352 /nfs/dbraw/zinc/03/43/52/1164034352.db2.gz OTFTXOKRFHVWON-UHFFFAOYSA-N -1 1 290.283 1.715 20 0 CDADMM O=C(Nc1cccnc1F)c1ccsc1-c1nn[n-]n1 ZINC001606940271 1164034358 /nfs/dbraw/zinc/03/43/58/1164034358.db2.gz OTFTXOKRFHVWON-UHFFFAOYSA-N -1 1 290.283 1.715 20 0 CDADMM c1cn(Cc2cccc3c2CCOC3)c(-c2nnn[n-]2)n1 ZINC001607122981 1164106427 /nfs/dbraw/zinc/10/64/27/1164106427.db2.gz AWHLBIYOXIOGHA-UHFFFAOYSA-N -1 1 282.307 1.184 20 0 CDADMM c1cn(Cc2cccc3c2CCOC3)c(-c2nn[n-]n2)n1 ZINC001607122981 1164106431 /nfs/dbraw/zinc/10/64/31/1164106431.db2.gz AWHLBIYOXIOGHA-UHFFFAOYSA-N -1 1 282.307 1.184 20 0 CDADMM c1cnc(N2CCC(C3CC3)CC2)c(-c2nnn[n-]2)n1 ZINC001607134788 1164114465 /nfs/dbraw/zinc/11/44/65/1164114465.db2.gz OSOGQAPUFODXRE-UHFFFAOYSA-N -1 1 271.328 1.283 20 0 CDADMM c1cnc(N2CCC(C3CC3)CC2)c(-c2nn[n-]n2)n1 ZINC001607134788 1164114469 /nfs/dbraw/zinc/11/44/69/1164114469.db2.gz OSOGQAPUFODXRE-UHFFFAOYSA-N -1 1 271.328 1.283 20 0 CDADMM COc1ccc([C@H](NCc2cnn(C)c2)C(=O)[O-])cc1O ZINC001607236158 1164134748 /nfs/dbraw/zinc/13/47/48/1164134748.db2.gz YEROTRHWGMVUBA-ZDUSSCGKSA-N -1 1 291.307 1.050 20 0 CDADMM COc1ccc(C[N@@H+](CCC(=O)[O-])CC(=O)[O-])c(OC)c1 ZINC001607250511 1164136920 /nfs/dbraw/zinc/13/69/20/1164136920.db2.gz HRWNOMIXJPRQFO-UHFFFAOYSA-N -1 1 297.307 1.065 20 0 CDADMM C[C@@H]1CN(Cc2nnc(C3CC3)n2C2CC2)C[C@H]1C(=O)[O-] ZINC001607438848 1164180598 /nfs/dbraw/zinc/18/05/98/1164180598.db2.gz AALUZXYLVRGQAA-BXKDBHETSA-N -1 1 290.367 1.643 20 0 CDADMM Cc1c(Cl)c(CN2C[C@H](C)[C@@](C)(C(=O)[O-])C2)nn1C ZINC001607532598 1164219495 /nfs/dbraw/zinc/21/94/95/1164219495.db2.gz VQFBSKCANXFECM-SDBXPKJASA-N -1 1 285.775 1.925 20 0 CDADMM Cc1c(NC(=O)Cc2cnc[nH]2)ccc(F)c1C(=O)[O-] ZINC001607540471 1164220349 /nfs/dbraw/zinc/22/03/49/1164220349.db2.gz FVHHVMVFPBMSMP-UHFFFAOYSA-N -1 1 277.255 1.737 20 0 CDADMM Cc1cc(CN(C)[C@@H](CO)COC(C)C)oc1C(=O)[O-] ZINC001607636657 1164246710 /nfs/dbraw/zinc/24/67/10/1164246710.db2.gz SRLWDKWACDMKCW-NSHDSACASA-N -1 1 285.340 1.504 20 0 CDADMM Cc1cc(NC(=O)CN2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)on1 ZINC001607679797 1164268169 /nfs/dbraw/zinc/26/81/69/1164268169.db2.gz IBHDJPUDOAMYNI-HZMBPMFUSA-N -1 1 293.323 1.108 20 0 CDADMM Cn1c(CN[C@H]2C[C@H](O)c3ccccc32)ccc1C(=O)[O-] ZINC001608104911 1164410371 /nfs/dbraw/zinc/41/03/71/1164410371.db2.gz SKCJWMCQPZAGBB-ZFWWWQNUSA-N -1 1 286.331 1.991 20 0 CDADMM Cn1cnc(CN2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)c1 ZINC001608135661 1164421637 /nfs/dbraw/zinc/42/16/37/1164421637.db2.gz JURQSHJUWMFEOW-HNNXBMFYSA-N -1 1 293.367 1.002 20 0 CDADMM O=C([O-])C1(CCCCNC(=O)CCc2c[nH]nn2)CCC1 ZINC001608317145 1164488473 /nfs/dbraw/zinc/48/84/73/1164488473.db2.gz QDRFUVCBJCWNRF-UHFFFAOYSA-N -1 1 294.355 1.279 20 0 CDADMM O=C([O-])C1(CCCCNC(=O)CCc2cnn[nH]2)CCC1 ZINC001608317145 1164488479 /nfs/dbraw/zinc/48/84/79/1164488479.db2.gz QDRFUVCBJCWNRF-UHFFFAOYSA-N -1 1 294.355 1.279 20 0 CDADMM O=C([O-])CC1(NCc2nc(Br)c[nH]2)CC1 ZINC001608688510 1164605020 /nfs/dbraw/zinc/60/50/20/1164605020.db2.gz ODTNLELYMUUZPM-UHFFFAOYSA-N -1 1 274.118 1.269 20 0 CDADMM O=C([O-])Cn1cc(CN2CC[C@H]3CCCC[C@@H]3C2)nn1 ZINC001608797087 1164641241 /nfs/dbraw/zinc/64/12/41/1164641241.db2.gz NPVFTGKPFSHWKA-VXGBXAGGSA-N -1 1 278.356 1.375 20 0 CDADMM O=C([O-])[C@@H]1OCC[C@@H]1NCc1ccn(C2CCCC2)n1 ZINC001608814990 1164646522 /nfs/dbraw/zinc/64/65/22/1164646522.db2.gz LRUZKKVXBBSKSO-QWHCGFSZSA-N -1 1 279.340 1.330 20 0 CDADMM O=C([O-])c1cc(F)cc(C(=O)N2CC[C@H](N3CCC3)C2)c1 ZINC001608848136 1164662301 /nfs/dbraw/zinc/66/23/01/1164662301.db2.gz BEISBSYSEWZBBB-ZDUSSCGKSA-N -1 1 292.310 1.444 20 0 CDADMM O=C([O-])c1ccc(CN2CCOCC3(CCC3)C2)o1 ZINC001608883150 1164674287 /nfs/dbraw/zinc/67/42/87/1164674287.db2.gz UQWBGHGOLUFNDQ-UHFFFAOYSA-N -1 1 265.309 1.980 20 0 CDADMM C[C@@H](N(C)C(=O)c1ccc(-c2nnn[n-]2)s1)C(C)(C)O ZINC001609117246 1164778492 /nfs/dbraw/zinc/77/84/92/1164778492.db2.gz MIIVNOWJMZFBLU-SSDOTTSWSA-N -1 1 295.368 1.160 20 0 CDADMM C[C@@H](N(C)C(=O)c1ccc(-c2nn[n-]n2)s1)C(C)(C)O ZINC001609117246 1164778499 /nfs/dbraw/zinc/77/84/99/1164778499.db2.gz MIIVNOWJMZFBLU-SSDOTTSWSA-N -1 1 295.368 1.160 20 0 CDADMM CC(F)(F)CCNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609116602 1164778665 /nfs/dbraw/zinc/77/86/65/1164778665.db2.gz SHVXQXALKGZFNS-UHFFFAOYSA-N -1 1 297.269 1.429 20 0 CDADMM CC(F)(F)CCNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609116602 1164778673 /nfs/dbraw/zinc/77/86/73/1164778673.db2.gz SHVXQXALKGZFNS-UHFFFAOYSA-N -1 1 297.269 1.429 20 0 CDADMM CC1(C)CCC[C@H](Oc2cccnc2-c2nnn[n-]2)C1=O ZINC001609145453 1164792698 /nfs/dbraw/zinc/79/26/98/1164792698.db2.gz OIBHEDJHSLEYJW-JTQLQIEISA-N -1 1 287.323 1.788 20 0 CDADMM CC1(C)CCC[C@H](Oc2cccnc2-c2nn[n-]n2)C1=O ZINC001609145453 1164792706 /nfs/dbraw/zinc/79/27/06/1164792706.db2.gz OIBHEDJHSLEYJW-JTQLQIEISA-N -1 1 287.323 1.788 20 0 CDADMM CC1(C)CN(c2cc(-c3nnn[n-]3)ncn2)CC(C)(C)C1 ZINC001609147163 1164793045 /nfs/dbraw/zinc/79/30/45/1164793045.db2.gz NFBCGXIFPZXGPY-UHFFFAOYSA-N -1 1 287.371 1.919 20 0 CDADMM CC1(C)CN(c2cc(-c3nn[n-]n3)ncn2)CC(C)(C)C1 ZINC001609147163 1164793051 /nfs/dbraw/zinc/79/30/51/1164793051.db2.gz NFBCGXIFPZXGPY-UHFFFAOYSA-N -1 1 287.371 1.919 20 0 CDADMM CC1(C)CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001609145229 1164793708 /nfs/dbraw/zinc/79/37/08/1164793708.db2.gz GINPGQBDESMOGM-VIFPVBQESA-N -1 1 273.344 1.895 20 0 CDADMM CC1(C)CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001609145229 1164793717 /nfs/dbraw/zinc/79/37/17/1164793717.db2.gz GINPGQBDESMOGM-VIFPVBQESA-N -1 1 273.344 1.895 20 0 CDADMM CC1(COC(=O)c2ccnc(-c3nnn[n-]3)c2)CCCC1 ZINC001609150007 1164796135 /nfs/dbraw/zinc/79/61/35/1164796135.db2.gz IOOKIKJITSVTQQ-UHFFFAOYSA-N -1 1 287.323 1.999 20 0 CDADMM CC1(COC(=O)c2ccnc(-c3nn[n-]n3)c2)CCCC1 ZINC001609150007 1164796144 /nfs/dbraw/zinc/79/61/44/1164796144.db2.gz IOOKIKJITSVTQQ-UHFFFAOYSA-N -1 1 287.323 1.999 20 0 CDADMM C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2cccc(-c3nnn[n-]3)n2)O1 ZINC001609154136 1164803401 /nfs/dbraw/zinc/80/34/01/1164803401.db2.gz KHZCKGPATGWEDK-SOCHQFKDSA-N -1 1 288.311 1.014 20 0 CDADMM C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2cccc(-c3nn[n-]n3)n2)O1 ZINC001609154136 1164803409 /nfs/dbraw/zinc/80/34/09/1164803409.db2.gz KHZCKGPATGWEDK-SOCHQFKDSA-N -1 1 288.311 1.014 20 0 CDADMM C[C@H]1CSCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001609177789 1164821123 /nfs/dbraw/zinc/82/11/23/1164821123.db2.gz DQQPJQFXGWDFEZ-SECBINFHSA-N -1 1 276.369 1.451 20 0 CDADMM C[C@H]1CSCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001609177789 1164821132 /nfs/dbraw/zinc/82/11/32/1164821132.db2.gz DQQPJQFXGWDFEZ-SECBINFHSA-N -1 1 276.369 1.451 20 0 CDADMM CCC1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)COC1 ZINC001609197610 1164839832 /nfs/dbraw/zinc/83/98/32/1164839832.db2.gz KMPANDCDZQEIHY-UHFFFAOYSA-N -1 1 294.746 1.754 20 0 CDADMM CCC1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)COC1 ZINC001609197610 1164839834 /nfs/dbraw/zinc/83/98/34/1164839834.db2.gz KMPANDCDZQEIHY-UHFFFAOYSA-N -1 1 294.746 1.754 20 0 CDADMM CC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H](CC)O1 ZINC001609202417 1164841249 /nfs/dbraw/zinc/84/12/49/1164841249.db2.gz HQLUMHBKVKWIMP-AOOOYVTPSA-N -1 1 289.343 1.051 20 0 CDADMM CC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H](CC)O1 ZINC001609202417 1164841256 /nfs/dbraw/zinc/84/12/56/1164841256.db2.gz HQLUMHBKVKWIMP-AOOOYVTPSA-N -1 1 289.343 1.051 20 0 CDADMM CO[C@]1(C)CCCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001609312740 1164893531 /nfs/dbraw/zinc/89/35/31/1164893531.db2.gz PADAKLHNPXAVTK-CQSZACIVSA-N -1 1 288.355 1.657 20 0 CDADMM CO[C@]1(C)CCCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001609312740 1164893539 /nfs/dbraw/zinc/89/35/39/1164893539.db2.gz PADAKLHNPXAVTK-CQSZACIVSA-N -1 1 288.355 1.657 20 0 CDADMM COc1cc(Nc2cnc(-c3nnn[n-]3)cn2)ccc1F ZINC001609346514 1164909624 /nfs/dbraw/zinc/90/96/24/1164909624.db2.gz BAUNDMFRPTYRBE-UHFFFAOYSA-N -1 1 287.258 1.548 20 0 CDADMM COc1cc(Nc2cnc(-c3nn[n-]n3)cn2)ccc1F ZINC001609346514 1164909630 /nfs/dbraw/zinc/90/96/30/1164909630.db2.gz BAUNDMFRPTYRBE-UHFFFAOYSA-N -1 1 287.258 1.548 20 0 CDADMM CS[C@H]1CCCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001609369519 1164912196 /nfs/dbraw/zinc/91/21/96/1164912196.db2.gz DAQSNNWKIHVSMH-VIFPVBQESA-N -1 1 291.384 1.379 20 0 CDADMM CS[C@H]1CCCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001609369519 1164912201 /nfs/dbraw/zinc/91/22/01/1164912201.db2.gz DAQSNNWKIHVSMH-VIFPVBQESA-N -1 1 291.384 1.379 20 0 CDADMM C[C@@]1(O)C[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001609376582 1164917109 /nfs/dbraw/zinc/91/71/09/1164917109.db2.gz DOAOYJODBGXXQA-JCJUMFQOSA-N -1 1 280.719 1.240 20 0 CDADMM C[C@@]1(O)C[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001609376582 1164917113 /nfs/dbraw/zinc/91/71/13/1164917113.db2.gz DOAOYJODBGXXQA-JCJUMFQOSA-N -1 1 280.719 1.240 20 0 CDADMM Cc1cc(NCC[C@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001609409565 1164934615 /nfs/dbraw/zinc/93/46/15/1164934615.db2.gz NXHWEKOPGJPHHW-JTQLQIEISA-N -1 1 274.328 1.409 20 0 CDADMM Cc1ccc(CCn2ccc(C)c(-c3nn[n-]n3)c2=O)cc1 ZINC001609422920 1164940400 /nfs/dbraw/zinc/94/04/00/1164940400.db2.gz HCUSDGNPWSTPCH-UHFFFAOYSA-N -1 1 295.346 1.888 20 0 CDADMM Cc1ccc(CCNc2nc(C)cc(-c3nnn[n-]3)n2)cc1 ZINC001609422949 1164940563 /nfs/dbraw/zinc/94/05/63/1164940563.db2.gz IXRITWRHDADGLH-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(CCNc2nc(C)cc(-c3nn[n-]n3)n2)cc1 ZINC001609422949 1164940571 /nfs/dbraw/zinc/94/05/71/1164940571.db2.gz IXRITWRHDADGLH-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(NC[C@H]2CCCC[C@@H]2O)nc1-c1nnn[n-]1 ZINC001609426464 1164944270 /nfs/dbraw/zinc/94/42/70/1164944270.db2.gz UMMVAWZYAMNLOM-MNOVXSKESA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(NC[C@H]2CCCC[C@@H]2O)nc1-c1nn[n-]n1 ZINC001609426464 1164944273 /nfs/dbraw/zinc/94/42/73/1164944273.db2.gz UMMVAWZYAMNLOM-MNOVXSKESA-N -1 1 288.355 1.533 20 0 CDADMM Fc1cccc2c1CN(c1cc(-c3nnn[n-]3)ncn1)CC2 ZINC001609492200 1164974327 /nfs/dbraw/zinc/97/43/27/1164974327.db2.gz LAASIZFPPYVKQZ-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM Fc1cccc2c1CN(c1cc(-c3nn[n-]n3)ncn1)CC2 ZINC001609492200 1164974333 /nfs/dbraw/zinc/97/43/33/1164974333.db2.gz LAASIZFPPYVKQZ-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM C/C(=C/CN[C@@H](C)c1nnc2ccccn21)C(=O)[O-] ZINC001609503609 1164977664 /nfs/dbraw/zinc/97/76/64/1164977664.db2.gz UHFPPGSFOTWSPI-MBACFSSFSA-N -1 1 260.297 1.411 20 0 CDADMM c1coc([C@H]2CN(c3cccnc3-c3nnn[n-]3)CCO2)c1 ZINC001609619762 1165013787 /nfs/dbraw/zinc/01/37/87/1165013787.db2.gz BBOFLAZXBPDJCX-GFCCVEGCSA-N -1 1 298.306 1.433 20 0 CDADMM c1coc([C@H]2CN(c3cccnc3-c3nn[n-]n3)CCO2)c1 ZINC001609619762 1165013793 /nfs/dbraw/zinc/01/37/93/1165013793.db2.gz BBOFLAZXBPDJCX-GFCCVEGCSA-N -1 1 298.306 1.433 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OC[C@H]2CCCOC2)c1 ZINC001609619402 1165014619 /nfs/dbraw/zinc/01/46/19/1165014619.db2.gz PIQBVCOAKADBTO-VIFPVBQESA-N -1 1 261.285 1.067 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OC[C@H]2CCCOC2)c1 ZINC001609619402 1165014624 /nfs/dbraw/zinc/01/46/24/1165014624.db2.gz PIQBVCOAKADBTO-VIFPVBQESA-N -1 1 261.285 1.067 20 0 CDADMM CC[C@@H](NC(=O)c1c[nH]c2ccc(C)cc2c1=O)C(=O)[O-] ZINC001609928599 1165148891 /nfs/dbraw/zinc/14/88/91/1165148891.db2.gz MBFKLKNZWYITSU-LLVKDONJSA-N -1 1 288.303 1.430 20 0 CDADMM Cc1c(C(=O)N2CCC[C@@H]2CC(=O)[O-])ccc2cncn21 ZINC001610406410 1165308561 /nfs/dbraw/zinc/30/85/61/1165308561.db2.gz WHQGWPKRPGLRAB-LLVKDONJSA-N -1 1 287.319 1.722 20 0 CDADMM Cc1cnc(=S)n(CN2CCC[C@H]2CC(=O)[O-])c1 ZINC001610539182 1165346416 /nfs/dbraw/zinc/34/64/16/1165346416.db2.gz XMLVJJGAKHFZNA-JTQLQIEISA-N -1 1 267.354 1.818 20 0 CDADMM Cc1coc(CC(=O)[O-])c1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC001610542881 1165349557 /nfs/dbraw/zinc/34/95/57/1165349557.db2.gz KWTKVNZSJVEOLO-JTQLQIEISA-N -1 1 292.335 1.182 20 0 CDADMM Cc1cscc1NC(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1 ZINC001610548518 1165351017 /nfs/dbraw/zinc/35/10/17/1165351017.db2.gz RFYRTWPDMGYCDE-JTQLQIEISA-N -1 1 297.380 1.537 20 0 CDADMM O=C([O-])c1cc(CNc2cnccc2-n2cccn2)c[nH]1 ZINC001610811680 1165450458 /nfs/dbraw/zinc/45/04/58/1165450458.db2.gz IEGNXHRBLDTNQB-UHFFFAOYSA-N -1 1 283.291 1.906 20 0 CDADMM O=C([O-])c1cnoc1COC(=O)c1ccc2cncn2c1 ZINC001610880573 1165472955 /nfs/dbraw/zinc/47/29/55/1165472955.db2.gz BEWPKKSWHVNCRC-UHFFFAOYSA-N -1 1 287.231 1.378 20 0 CDADMM Cc1cc(C(=O)Nc2c[n-][nH]c2=O)c(F)cc1F ZINC001611379498 1165491187 /nfs/dbraw/zinc/49/11/87/1165491187.db2.gz JEIFMAUFNKKJJL-UHFFFAOYSA-N -1 1 253.208 1.954 20 0 CDADMM O=C(NCCc1nc2ccccc2[nH]1)c1ccc([O-])cn1 ZINC001624529404 1165847427 /nfs/dbraw/zinc/84/74/27/1165847427.db2.gz OJGCBAOEOPDZIR-UHFFFAOYSA-N -1 1 282.303 1.636 20 0 CDADMM O=C(NCc1nc([O-])cc(=O)[nH]1)c1cc2ccccc2[nH]1 ZINC001630646361 1166220605 /nfs/dbraw/zinc/22/06/05/1166220605.db2.gz IALLCZUVZLULKO-UHFFFAOYSA-N -1 1 284.275 1.299 20 0 CDADMM COc1cccc(-c2cc(C(=O)[N-]c3nncn3C)on2)c1 ZINC001633759288 1166447547 /nfs/dbraw/zinc/44/75/47/1166447547.db2.gz LKVWQSDHOLJHHV-UHFFFAOYSA-N -1 1 299.290 1.731 20 0 CDADMM CC(C)Oc1ccccc1Cn1cnc(-c2nn[n-]n2)n1 ZINC000095208731 1166607482 /nfs/dbraw/zinc/60/74/82/1166607482.db2.gz OSSWSRXQJFQXSI-UHFFFAOYSA-N -1 1 285.311 1.294 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1c[nH]nc1-c1cccnc1 ZINC001637951786 1166807006 /nfs/dbraw/zinc/80/70/06/1166807006.db2.gz CUVZVZYDGOXHTQ-UHFFFAOYSA-N -1 1 284.279 1.461 20 0 CDADMM O=C(Nc1cc(CO)ccn1)c1cccc([O-])c1F ZINC001639605556 1166954828 /nfs/dbraw/zinc/95/48/28/1166954828.db2.gz WADRYMWJQTVORA-UHFFFAOYSA-N -1 1 262.240 1.671 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(Cl)n(C)n1 ZINC001641715929 1167132120 /nfs/dbraw/zinc/13/21/20/1167132120.db2.gz LNYUFAQSYQLLMU-UHFFFAOYSA-N -1 1 255.665 1.063 20 0 CDADMM O=C(NCc1ccc[nH]c1=O)c1ccc([O-])c(F)c1 ZINC001642125393 1167155876 /nfs/dbraw/zinc/15/58/76/1167155876.db2.gz XEOZHFRAFYIEDF-UHFFFAOYSA-N -1 1 262.240 1.562 20 0 CDADMM Cc1n[nH]cc1CN(C)C(=O)c1cccc([O-])c1F ZINC001643447274 1167251515 /nfs/dbraw/zinc/25/15/15/1167251515.db2.gz MAJRCWNDRYSIQU-UHFFFAOYSA-N -1 1 263.272 1.835 20 0 CDADMM CC[C@@H](Cc1cccc(C)c1)C(=O)N(C)c1nn[nH]n1 ZINC001646203859 1167693839 /nfs/dbraw/zinc/69/38/39/1167693839.db2.gz PFMZTCSSNKBPKW-LBPRGKRZSA-N -1 1 273.340 1.740 20 0 CDADMM CC[C@@H](Cc1cccc(C)c1)C(=O)N(C)c1nn[n-]n1 ZINC001646203859 1167693841 /nfs/dbraw/zinc/69/38/41/1167693841.db2.gz PFMZTCSSNKBPKW-LBPRGKRZSA-N -1 1 273.340 1.740 20 0 CDADMM O=C(NCc1ccc(-n2cccn2)cc1)c1ccc([O-])cn1 ZINC001540642886 1167921423 /nfs/dbraw/zinc/92/14/23/1167921423.db2.gz XYXFTYBNHNOAMJ-UHFFFAOYSA-N -1 1 294.314 1.903 20 0 CDADMM O=C(NC[C@@H](O)c1ccco1)c1ncc2ccccc2c1[O-] ZINC001566327931 1168260514 /nfs/dbraw/zinc/26/05/14/1168260514.db2.gz IHIOXABCEFVUGF-GFCCVEGCSA-N -1 1 298.298 1.997 20 0 CDADMM Cc1nc([C@H](C)[N-]S(=O)(=O)c2cccc(C)c2F)no1 ZINC001647131704 1168397631 /nfs/dbraw/zinc/39/76/31/1168397631.db2.gz FEMPMJVLWVWCAP-QMMMGPOBSA-N -1 1 299.327 1.865 20 0 CDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC1(C)CC1 ZINC001649703720 1169294701 /nfs/dbraw/zinc/29/47/01/1169294701.db2.gz KGGYROGWRMYADW-UHFFFAOYSA-N -1 1 274.324 1.263 20 0 CDADMM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2cnc[nH]2)cc1 ZINC001650021310 1169620196 /nfs/dbraw/zinc/62/01/96/1169620196.db2.gz CDQFAMMISUGWPI-CYBMUJFWSA-N -1 1 287.319 1.593 20 0 CDADMM CCn1cc([C@@H](C)NCc2cn(C)nc2C(=O)[O-])cn1 ZINC001573847025 1170802464 /nfs/dbraw/zinc/80/24/64/1170802464.db2.gz IJULISJKTPHHEE-SECBINFHSA-N -1 1 277.328 1.186 20 0 CDADMM Cc1[nH]cnc1CC(=O)N[C@H](C)C1CCN(C(=O)[O-])CC1 ZINC001574113969 1170887250 /nfs/dbraw/zinc/88/72/50/1170887250.db2.gz RHFRHQNMWXXTHE-SECBINFHSA-N -1 1 294.355 1.155 20 0 CDADMM CSc1ccc([O-])c(C(=O)Nc2nc[nH]n2)c1 ZINC001654201265 1171597905 /nfs/dbraw/zinc/59/79/05/1171597905.db2.gz XAYUHCDNBBEGTQ-UHFFFAOYSA-N -1 1 250.283 1.485 20 0 CDADMM CC(=O)[C@@H]1C[C@H](C(=O)Nc2c[n-][nH]c2=O)C1(C)C ZINC001654603274 1171625175 /nfs/dbraw/zinc/62/51/75/1171625175.db2.gz HLKNSBKQSRGOGF-JGVFFNPUSA-N -1 1 251.286 1.305 20 0 CDADMM CN(C)c1ccnc(NC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001579001916 1172076613 /nfs/dbraw/zinc/07/66/13/1172076613.db2.gz JPGYSEYPLFVFQM-UHFFFAOYSA-N -1 1 299.294 1.173 20 0 CDADMM CN(C)c1ccnc(NC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001579001916 1172076622 /nfs/dbraw/zinc/07/66/22/1172076622.db2.gz JPGYSEYPLFVFQM-UHFFFAOYSA-N -1 1 299.294 1.173 20 0 CDADMM O=C(c1cc(F)cc(Cl)c1[O-])N1CCN[C@H]2C[C@H]21 ZINC001580811569 1172546723 /nfs/dbraw/zinc/54/67/23/1172546723.db2.gz QICKFBQBXPDLOL-VHSXEESVSA-N -1 1 270.691 1.371 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC001581133847 1172588712 /nfs/dbraw/zinc/58/87/12/1172588712.db2.gz KCKMQPXAKGDGHL-UHFFFAOYSA-N -1 1 299.294 1.165 20 0 CDADMM Cc1ccncc1N(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001581290418 1172602607 /nfs/dbraw/zinc/60/26/07/1172602607.db2.gz BGTRHYWDNNKASW-UHFFFAOYSA-N -1 1 284.279 1.440 20 0 CDADMM Cc1ccncc1N(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001581290418 1172602615 /nfs/dbraw/zinc/60/26/15/1172602615.db2.gz BGTRHYWDNNKASW-UHFFFAOYSA-N -1 1 284.279 1.440 20 0 CDADMM O=C(C=Cc1ccsc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001581956160 1172635210 /nfs/dbraw/zinc/63/52/10/1172635210.db2.gz PDSTVYITCGOTPI-PLNGDYQASA-N -1 1 298.331 1.975 20 0 CDADMM O=C(C=Cc1ccsc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001581956160 1172635216 /nfs/dbraw/zinc/63/52/16/1172635216.db2.gz PDSTVYITCGOTPI-PLNGDYQASA-N -1 1 298.331 1.975 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1Cc2ccccc2CO1 ZINC001582743791 1172691105 /nfs/dbraw/zinc/69/11/05/1172691105.db2.gz GOQHRVVCOUPAQN-UHFFFAOYSA-N -1 1 297.274 1.547 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1Cc2ccccc2CO1 ZINC001582743791 1172691107 /nfs/dbraw/zinc/69/11/07/1172691107.db2.gz GOQHRVVCOUPAQN-UHFFFAOYSA-N -1 1 297.274 1.547 20 0 CDADMM CC(C)[C@@H]1C[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001589502694 1173151261 /nfs/dbraw/zinc/15/12/61/1173151261.db2.gz PWBZBIMWZSDVAW-QWRGUYRKSA-N -1 1 287.323 1.597 20 0 CDADMM CC(C)[C@@H]1C[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001589502694 1173151265 /nfs/dbraw/zinc/15/12/65/1173151265.db2.gz PWBZBIMWZSDVAW-QWRGUYRKSA-N -1 1 287.323 1.597 20 0 CDADMM CC(C)[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589508136 1173154423 /nfs/dbraw/zinc/15/44/23/1173154423.db2.gz WZOGWSCHBIUVSY-GHMZBOCLSA-N -1 1 287.371 1.705 20 0 CDADMM CC(C)CC[C@@](C)(O)CNc1ccnc(-c2nnn[n-]2)c1 ZINC001589588017 1173161011 /nfs/dbraw/zinc/16/10/11/1173161011.db2.gz HAXPVHKVZBERDR-CQSZACIVSA-N -1 1 290.371 1.283 20 0 CDADMM CC(C)CC[C@@](C)(O)CNc1ccnc(-c2nn[n-]n2)c1 ZINC001589588017 1173161015 /nfs/dbraw/zinc/16/10/15/1173161015.db2.gz HAXPVHKVZBERDR-CQSZACIVSA-N -1 1 290.371 1.283 20 0 CDADMM CC(C)OC1CN(Cc2csc(-c3nn[n-]n3)c2)C1 ZINC001589739669 1173171529 /nfs/dbraw/zinc/17/15/29/1173171529.db2.gz NPWQRCHMRGJENY-UHFFFAOYSA-N -1 1 279.369 1.537 20 0 CDADMM CC(C)n1cc(CNc2cccc(-c3nnn[n-]3)n2)nn1 ZINC001589781730 1173178962 /nfs/dbraw/zinc/17/89/62/1173178962.db2.gz DBAKGVWFYJYGNY-UHFFFAOYSA-N -1 1 285.315 1.046 20 0 CDADMM CC(C)n1cc(CNc2cccc(-c3nn[n-]n3)n2)nn1 ZINC001589781730 1173178967 /nfs/dbraw/zinc/17/89/67/1173178967.db2.gz DBAKGVWFYJYGNY-UHFFFAOYSA-N -1 1 285.315 1.046 20 0 CDADMM C[C@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)C(C)(C)O ZINC001589992390 1173223850 /nfs/dbraw/zinc/22/38/50/1173223850.db2.gz UTRBBIJGMKEHDH-BYPYZUCNSA-N -1 1 288.764 1.548 20 0 CDADMM C[C@H](c1ccncc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590050733 1173239293 /nfs/dbraw/zinc/23/92/93/1173239293.db2.gz MTCVTHHIQGVUPR-SECBINFHSA-N -1 1 298.306 1.688 20 0 CDADMM C[C@H](c1ccncc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590050733 1173239299 /nfs/dbraw/zinc/23/92/99/1173239299.db2.gz MTCVTHHIQGVUPR-SECBINFHSA-N -1 1 298.306 1.688 20 0 CDADMM CC1(C)C(CNc2cncc(-c3nnn[n-]3)n2)C1(C)C ZINC001590077709 1173244859 /nfs/dbraw/zinc/24/48/59/1173244859.db2.gz YCQCBAPBMZSGCH-UHFFFAOYSA-N -1 1 273.344 1.751 20 0 CDADMM CC1(C)C(CNc2cncc(-c3nn[n-]n3)n2)C1(C)C ZINC001590077709 1173244866 /nfs/dbraw/zinc/24/48/66/1173244866.db2.gz YCQCBAPBMZSGCH-UHFFFAOYSA-N -1 1 273.344 1.751 20 0 CDADMM CC1(C)C[C@H](Cn2cnc(-c3nn[n-]n3)n2)C(C)(C)O1 ZINC001590081232 1173248730 /nfs/dbraw/zinc/24/87/30/1173248730.db2.gz UGKCRZOIBCVCTH-MRVPVSSYSA-N -1 1 277.332 1.052 20 0 CDADMM CC1(C)CN(C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)C1 ZINC001590102885 1173256848 /nfs/dbraw/zinc/25/68/48/1173256848.db2.gz BNNPUHWXWZKFMU-UHFFFAOYSA-N -1 1 296.334 1.830 20 0 CDADMM CC1(C)C[C@@H]1Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590113771 1173263249 /nfs/dbraw/zinc/26/32/49/1173263249.db2.gz TUPOIWSTUKMMPX-VIFPVBQESA-N -1 1 271.328 1.745 20 0 CDADMM CC1(C)C[C@@H]1Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590113771 1173263253 /nfs/dbraw/zinc/26/32/53/1173263253.db2.gz TUPOIWSTUKMMPX-VIFPVBQESA-N -1 1 271.328 1.745 20 0 CDADMM C[C@]1(c2ccccc2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590152623 1173274820 /nfs/dbraw/zinc/27/48/20/1173274820.db2.gz ZADPPEDNMMVJOL-XHDPSFHLSA-N -1 1 293.334 1.221 20 0 CDADMM C[C@@H]1C[C@H]2CCCC[C@H]2N1c1cnc(-c2nnn[n-]2)cn1 ZINC001590217749 1173298563 /nfs/dbraw/zinc/29/85/63/1173298563.db2.gz DYXATMQNSXXHLQ-CKYFFXLPSA-N -1 1 285.355 1.814 20 0 CDADMM C[C@@H]1C[C@H]2CCCC[C@H]2N1c1cnc(-c2nn[n-]n2)cn1 ZINC001590217749 1173298564 /nfs/dbraw/zinc/29/85/64/1173298564.db2.gz DYXATMQNSXXHLQ-CKYFFXLPSA-N -1 1 285.355 1.814 20 0 CDADMM C[C@@H]1CCC(F)(F)CN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590228974 1173309173 /nfs/dbraw/zinc/30/91/73/1173309173.db2.gz GISFDJUXMHZMPU-SSDOTTSWSA-N -1 1 297.265 1.720 20 0 CDADMM C[C@@H]1CCC(F)(F)CN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590228974 1173309179 /nfs/dbraw/zinc/30/91/79/1173309179.db2.gz GISFDJUXMHZMPU-SSDOTTSWSA-N -1 1 297.265 1.720 20 0 CDADMM C[C@H]1CCCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001590253533 1173319462 /nfs/dbraw/zinc/31/94/62/1173319462.db2.gz GENVMLVFMXOUCS-VIFPVBQESA-N -1 1 259.317 1.283 20 0 CDADMM C[C@H]1CCCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001590253533 1173319469 /nfs/dbraw/zinc/31/94/69/1173319469.db2.gz GENVMLVFMXOUCS-VIFPVBQESA-N -1 1 259.317 1.283 20 0 CDADMM C[C@H]1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)C[C@@H]1F ZINC001590270307 1173333738 /nfs/dbraw/zinc/33/37/38/1173333738.db2.gz TWUZCYIHPBGLHJ-CBAPKCEASA-N -1 1 279.275 1.280 20 0 CDADMM C[C@H]1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)C[C@@H]1F ZINC001590270307 1173333747 /nfs/dbraw/zinc/33/37/47/1173333747.db2.gz TWUZCYIHPBGLHJ-CBAPKCEASA-N -1 1 279.275 1.280 20 0 CDADMM C[C@H]1Cc2ccccc2[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590331244 1173360046 /nfs/dbraw/zinc/36/00/46/1173360046.db2.gz ILQZIIKDCALWOU-TVQRCGJNSA-N -1 1 293.334 1.424 20 0 CDADMM C/C=C\C[C@H](CO)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590351397 1173366403 /nfs/dbraw/zinc/36/64/03/1173366403.db2.gz DWYKOBRKGSUJCL-PKRMOACSSA-N -1 1 260.301 1.001 20 0 CDADMM C/C=C\C[C@H](CO)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590351397 1173366411 /nfs/dbraw/zinc/36/64/11/1173366411.db2.gz DWYKOBRKGSUJCL-PKRMOACSSA-N -1 1 260.301 1.001 20 0 CDADMM C/C=C(\CC)C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001590350261 1173368846 /nfs/dbraw/zinc/36/88/46/1173368846.db2.gz PMWWFEJZVRDIOT-XCVCLJGOSA-N -1 1 298.350 1.897 20 0 CDADMM C/C=C(\CC)C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001590350261 1173368848 /nfs/dbraw/zinc/36/88/48/1173368848.db2.gz PMWWFEJZVRDIOT-XCVCLJGOSA-N -1 1 298.350 1.897 20 0 CDADMM CC[C@@H](C)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001590408068 1173394997 /nfs/dbraw/zinc/39/49/97/1173394997.db2.gz COTPNVVDLBVDJF-SECBINFHSA-N -1 1 273.340 1.563 20 0 CDADMM CC[C@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)[C@H](C)O ZINC001590471444 1173422892 /nfs/dbraw/zinc/42/28/92/1173422892.db2.gz FUJQCIHBYQVONS-CBAPKCEASA-N -1 1 289.343 1.105 20 0 CDADMM CC[C@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)[C@H](C)O ZINC001590471444 1173422897 /nfs/dbraw/zinc/42/28/97/1173422897.db2.gz FUJQCIHBYQVONS-CBAPKCEASA-N -1 1 289.343 1.105 20 0 CDADMM CC[C@]1(O)CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001590500660 1173437649 /nfs/dbraw/zinc/43/76/49/1173437649.db2.gz XIHORCFWTOZPJE-LBPRGKRZSA-N -1 1 294.746 1.266 20 0 CDADMM CC[C@]1(O)CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001590500660 1173437653 /nfs/dbraw/zinc/43/76/53/1173437653.db2.gz XIHORCFWTOZPJE-LBPRGKRZSA-N -1 1 294.746 1.266 20 0 CDADMM CCC[C@H](CCO)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590555534 1173459388 /nfs/dbraw/zinc/45/93/88/1173459388.db2.gz CUCKVZUNOBRCRQ-SECBINFHSA-N -1 1 295.368 1.209 20 0 CDADMM CCCOc1cccc(Nc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001590647476 1173483710 /nfs/dbraw/zinc/48/37/10/1173483710.db2.gz YUDVNPGNCYFGPG-UHFFFAOYSA-N -1 1 297.322 1.611 20 0 CDADMM CCN(C(=O)c1coc(-c2nnn[n-]2)c1)[C@H](C)C(C)C ZINC001590676180 1173485829 /nfs/dbraw/zinc/48/58/29/1173485829.db2.gz JQDCCZKKJPEZMH-SECBINFHSA-N -1 1 277.328 1.966 20 0 CDADMM CCN(C(=O)c1coc(-c2nn[n-]n2)c1)[C@H](C)C(C)C ZINC001590676180 1173485836 /nfs/dbraw/zinc/48/58/36/1173485836.db2.gz JQDCCZKKJPEZMH-SECBINFHSA-N -1 1 277.328 1.966 20 0 CDADMM CCS[C@H]1CCC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590849945 1173525053 /nfs/dbraw/zinc/52/50/53/1173525053.db2.gz DFSSMGQLLWSWNH-IUCAKERBSA-N -1 1 291.384 1.165 20 0 CDADMM CCc1nc(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)co1 ZINC001590908273 1173541183 /nfs/dbraw/zinc/54/11/83/1173541183.db2.gz MFDUKBFPAZQYGS-UHFFFAOYSA-N -1 1 299.294 1.089 20 0 CDADMM CCc1nc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)co1 ZINC001590908273 1173541190 /nfs/dbraw/zinc/54/11/90/1173541190.db2.gz MFDUKBFPAZQYGS-UHFFFAOYSA-N -1 1 299.294 1.089 20 0 CDADMM CN(C(=O)[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590977646 1173555672 /nfs/dbraw/zinc/55/56/72/1173555672.db2.gz MMFYSVUNBXREFZ-AXFHLTTASA-N -1 1 298.350 1.661 20 0 CDADMM CN(C(=O)[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590977646 1173555674 /nfs/dbraw/zinc/55/56/74/1173555674.db2.gz MMFYSVUNBXREFZ-AXFHLTTASA-N -1 1 298.350 1.661 20 0 CDADMM CN(Cc1nc(-c2nnn[n-]2)cs1)CC1=CCCOC1 ZINC001591049918 1173565561 /nfs/dbraw/zinc/56/55/61/1173565561.db2.gz BIFLYWSTYKUHRD-UHFFFAOYSA-N -1 1 292.368 1.102 20 0 CDADMM CN(Cc1nc(-c2nn[n-]n2)cs1)CC1=CCCOC1 ZINC001591049918 1173565566 /nfs/dbraw/zinc/56/55/66/1173565566.db2.gz BIFLYWSTYKUHRD-UHFFFAOYSA-N -1 1 292.368 1.102 20 0 CDADMM CN(C[C@@H]1CCCC[C@H]1O)c1cccnc1-c1nnn[n-]1 ZINC001591056936 1173569130 /nfs/dbraw/zinc/56/91/30/1173569130.db2.gz UWHJGESQJBTNRM-CMPLNLGQSA-N -1 1 288.355 1.249 20 0 CDADMM CN(C[C@@H]1CCCC[C@H]1O)c1cccnc1-c1nn[n-]n1 ZINC001591056936 1173569134 /nfs/dbraw/zinc/56/91/34/1173569134.db2.gz UWHJGESQJBTNRM-CMPLNLGQSA-N -1 1 288.355 1.249 20 0 CDADMM CO[C@H](CNc1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001591328931 1173613200 /nfs/dbraw/zinc/61/32/00/1173613200.db2.gz MVOTYYWCZVHCQL-SNVBAGLBSA-N -1 1 289.343 1.274 20 0 CDADMM CO[C@H](CNc1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001591328931 1173613205 /nfs/dbraw/zinc/61/32/05/1173613205.db2.gz MVOTYYWCZVHCQL-SNVBAGLBSA-N -1 1 289.343 1.274 20 0 CDADMM CO[C@@H](Cn1ccc(-c2nn[n-]n2)cc1=O)C1CCCC1 ZINC001591335007 1173615287 /nfs/dbraw/zinc/61/52/87/1173615287.db2.gz TULDVYGIJKRNCT-LBPRGKRZSA-N -1 1 289.339 1.234 20 0 CDADMM CO[C@@]1(C)CCCN(c2cc(C)nc(-c3nnn[n-]3)c2)C1 ZINC001591339585 1173617167 /nfs/dbraw/zinc/61/71/67/1173617167.db2.gz UUEIJQKODDRFGU-AWEZNQCLSA-N -1 1 288.355 1.575 20 0 CDADMM CO[C@@]1(C)CCCN(c2cc(C)nc(-c3nn[n-]n3)c2)C1 ZINC001591339585 1173617172 /nfs/dbraw/zinc/61/71/72/1173617172.db2.gz UUEIJQKODDRFGU-AWEZNQCLSA-N -1 1 288.355 1.575 20 0 CDADMM CO[C@H]1CCC[C@H](OC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001591354019 1173626657 /nfs/dbraw/zinc/62/66/57/1173626657.db2.gz HSXOFWUYBSITTA-UWVGGRQHSA-N -1 1 292.295 1.574 20 0 CDADMM CO[C@H]1CCC[C@H](OC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001591354019 1173626663 /nfs/dbraw/zinc/62/66/63/1173626663.db2.gz HSXOFWUYBSITTA-UWVGGRQHSA-N -1 1 292.295 1.574 20 0 CDADMM COC[C@@H](C)CNc1ccc(C)nc1-c1nnn[n-]1 ZINC001591374018 1173635037 /nfs/dbraw/zinc/63/50/37/1173635037.db2.gz PQZRQHIJPNPAKK-QMMMGPOBSA-N -1 1 262.317 1.265 20 0 CDADMM COC[C@@H](C)CNc1ccc(C)nc1-c1nn[n-]n1 ZINC001591374018 1173635039 /nfs/dbraw/zinc/63/50/39/1173635039.db2.gz PQZRQHIJPNPAKK-QMMMGPOBSA-N -1 1 262.317 1.265 20 0 CDADMM COC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001591382223 1173638301 /nfs/dbraw/zinc/63/83/01/1173638301.db2.gz FUWRIWLZSDOKAZ-LBPRGKRZSA-N -1 1 297.322 1.456 20 0 CDADMM COC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001591382223 1173638309 /nfs/dbraw/zinc/63/83/09/1173638309.db2.gz FUWRIWLZSDOKAZ-LBPRGKRZSA-N -1 1 297.322 1.456 20 0 CDADMM COc1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1C ZINC001591639474 1173676037 /nfs/dbraw/zinc/67/60/37/1173676037.db2.gz MGBKTOSURIOLSG-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1C ZINC001591639474 1173676042 /nfs/dbraw/zinc/67/60/42/1173676042.db2.gz MGBKTOSURIOLSG-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1ccc2c(c1)CN(c1cccc(-c3nnn[n-]3)n1)C2 ZINC001591627702 1173676673 /nfs/dbraw/zinc/67/66/73/1173676673.db2.gz VWUGCAUTENELDM-UHFFFAOYSA-N -1 1 294.318 1.791 20 0 CDADMM COc1ccc2c(c1)CN(c1cccc(-c3nn[n-]n3)n1)C2 ZINC001591627702 1173676677 /nfs/dbraw/zinc/67/66/77/1173676677.db2.gz VWUGCAUTENELDM-UHFFFAOYSA-N -1 1 294.318 1.791 20 0 CDADMM COc1ncc(NC(=O)c2cc[nH]c2C)cc1-c1nn[n-]n1 ZINC001591667295 1173679113 /nfs/dbraw/zinc/67/91/13/1173679113.db2.gz AOJRSQQONRJSJQ-UHFFFAOYSA-N -1 1 299.294 1.159 20 0 CDADMM Cc1cc(C)nc(NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001591958010 1173751692 /nfs/dbraw/zinc/75/16/92/1173751692.db2.gz YCMIIWDGXVVZMH-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1cc([C@@H]2CCCN2c2cc(-c3nnn[n-]3)ncn2)no1 ZINC001591960478 1173754968 /nfs/dbraw/zinc/75/49/68/1173754968.db2.gz RTUWYUYHTYIPRV-NSHDSACASA-N -1 1 298.310 1.295 20 0 CDADMM Cc1cc([C@@H]2CCCN2c2cc(-c3nn[n-]n3)ncn2)no1 ZINC001591960478 1173754972 /nfs/dbraw/zinc/75/49/72/1173754972.db2.gz RTUWYUYHTYIPRV-NSHDSACASA-N -1 1 298.310 1.295 20 0 CDADMM Cc1cc(N2CCC([C@H](C)O)CC2)cc(-c2nnn[n-]2)n1 ZINC001592002497 1173769962 /nfs/dbraw/zinc/76/99/62/1173769962.db2.gz YAZCSQITUKIZAD-JTQLQIEISA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(N2CCC([C@H](C)O)CC2)cc(-c2nn[n-]n2)n1 ZINC001592002497 1173769968 /nfs/dbraw/zinc/76/99/68/1173769968.db2.gz YAZCSQITUKIZAD-JTQLQIEISA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(N[C@H](C)C2CCC2)cc(-c2nnn[n-]2)n1 ZINC001592032585 1173776290 /nfs/dbraw/zinc/77/62/90/1173776290.db2.gz AVYZXGOHQDVVHN-SECBINFHSA-N -1 1 258.329 1.593 20 0 CDADMM Cc1cc(N[C@H](C)C2CCC2)cc(-c2nn[n-]n2)n1 ZINC001592032585 1173776296 /nfs/dbraw/zinc/77/62/96/1173776296.db2.gz AVYZXGOHQDVVHN-SECBINFHSA-N -1 1 258.329 1.593 20 0 CDADMM Cc1cc(N[C@H](C)c2cscn2)cc(-c2nnn[n-]2)n1 ZINC001592035569 1173779859 /nfs/dbraw/zinc/77/98/59/1173779859.db2.gz ZXOAZWQEOMFTRS-MRVPVSSYSA-N -1 1 287.352 1.622 20 0 CDADMM Cc1cc(N[C@H](C)c2cscn2)cc(-c2nn[n-]n2)n1 ZINC001592035569 1173779861 /nfs/dbraw/zinc/77/98/61/1173779861.db2.gz ZXOAZWQEOMFTRS-MRVPVSSYSA-N -1 1 287.352 1.622 20 0 CDADMM Cc1cc(NC[C@@H](O)CC(C)(C)C)nc(-c2nnn[n-]2)c1 ZINC001592041688 1173780726 /nfs/dbraw/zinc/78/07/26/1173780726.db2.gz HFRXJAMMXQSINC-JTQLQIEISA-N -1 1 290.371 1.779 20 0 CDADMM Cc1cc(NC[C@@H](O)CC(C)(C)C)nc(-c2nn[n-]n2)c1 ZINC001592041688 1173780731 /nfs/dbraw/zinc/78/07/31/1173780731.db2.gz HFRXJAMMXQSINC-JTQLQIEISA-N -1 1 290.371 1.779 20 0 CDADMM Cc1cc(N[C@H]2CCCC[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592037096 1173780789 /nfs/dbraw/zinc/78/07/89/1173780789.db2.gz JSFZCYLVBXJYMU-CABZTGNLSA-N -1 1 272.356 1.983 20 0 CDADMM Cc1cc(N[C@H]2CCCC[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592037096 1173780791 /nfs/dbraw/zinc/78/07/91/1173780791.db2.gz JSFZCYLVBXJYMU-CABZTGNLSA-N -1 1 272.356 1.983 20 0 CDADMM Cc1cc(N[C@@H]2CCCC(F)(F)C2)cc(-c2nnn[n-]2)n1 ZINC001592036897 1173781544 /nfs/dbraw/zinc/78/15/44/1173781544.db2.gz CWXUTSUXNCJPIG-SECBINFHSA-N -1 1 294.309 1.982 20 0 CDADMM Cc1cc(N[C@@H]2CCCC(F)(F)C2)cc(-c2nn[n-]n2)n1 ZINC001592036897 1173781547 /nfs/dbraw/zinc/78/15/47/1173781547.db2.gz CWXUTSUXNCJPIG-SECBINFHSA-N -1 1 294.309 1.982 20 0 CDADMM Cc1cc(NC[C@]2(C)CCCCO2)nc(-c2nnn[n-]2)c1 ZINC001592041467 1173781916 /nfs/dbraw/zinc/78/19/16/1173781916.db2.gz LZNBNMGBEMDCIZ-AWEZNQCLSA-N -1 1 288.355 1.941 20 0 CDADMM Cc1cc(NC[C@]2(C)CCCCO2)nc(-c2nn[n-]n2)c1 ZINC001592041467 1173781923 /nfs/dbraw/zinc/78/19/23/1173781923.db2.gz LZNBNMGBEMDCIZ-AWEZNQCLSA-N -1 1 288.355 1.941 20 0 CDADMM Cc1cc(NC[C@@H]2CCC[C@@H](C)O2)cc(-c2nnn[n-]2)n1 ZINC001592043178 1173784235 /nfs/dbraw/zinc/78/42/35/1173784235.db2.gz CNUSEMHYKGHDEB-PWSUYJOCSA-N -1 1 288.355 1.940 20 0 CDADMM Cc1cc(NC[C@@H]2CCC[C@@H](C)O2)cc(-c2nn[n-]n2)n1 ZINC001592043178 1173784239 /nfs/dbraw/zinc/78/42/39/1173784239.db2.gz CNUSEMHYKGHDEB-PWSUYJOCSA-N -1 1 288.355 1.940 20 0 CDADMM Cc1noc(C)c1CCNc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001592051087 1173786183 /nfs/dbraw/zinc/78/61/83/1173786183.db2.gz IBIUCKJWHTWIIV-UHFFFAOYSA-N -1 1 299.338 1.830 20 0 CDADMM Cc1noc(C)c1CCNc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001592051087 1173786190 /nfs/dbraw/zinc/78/61/90/1173786190.db2.gz IBIUCKJWHTWIIV-UHFFFAOYSA-N -1 1 299.338 1.830 20 0 CDADMM Cc1cc2c(cc1C)N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001592070159 1173793877 /nfs/dbraw/zinc/79/38/77/1173793877.db2.gz FSBMXPNGSUJWGH-UHFFFAOYSA-N -1 1 293.334 1.968 20 0 CDADMM Cc1cc2c(cc1C)N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001592070159 1173793882 /nfs/dbraw/zinc/79/38/82/1173793882.db2.gz FSBMXPNGSUJWGH-UHFFFAOYSA-N -1 1 293.334 1.968 20 0 CDADMM Cc1ccc(-c2nnn[n-]2)nc1N1C[C@@H](O)CC(C)(C)C1 ZINC001592110655 1173803358 /nfs/dbraw/zinc/80/33/58/1173803358.db2.gz RNAQFIGOMLRCIQ-JTQLQIEISA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1C[C@@H](O)CC(C)(C)C1 ZINC001592110655 1173803366 /nfs/dbraw/zinc/80/33/66/1173803366.db2.gz RNAQFIGOMLRCIQ-JTQLQIEISA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(NC[C@@H](CO)C(C)C)nc1-c1nnn[n-]1 ZINC001592183070 1173825527 /nfs/dbraw/zinc/82/55/27/1173825527.db2.gz LAWRLOJKEHNWSI-JTQLQIEISA-N -1 1 276.344 1.247 20 0 CDADMM Cc1ccc(NC[C@@H](CO)C(C)C)nc1-c1nn[n-]n1 ZINC001592183070 1173825531 /nfs/dbraw/zinc/82/55/31/1173825531.db2.gz LAWRLOJKEHNWSI-JTQLQIEISA-N -1 1 276.344 1.247 20 0 CDADMM Cc1ccc(N[C@H]2CCO[C@@H](C)C2)nc1-c1nnn[n-]1 ZINC001592183461 1173828017 /nfs/dbraw/zinc/82/80/17/1173828017.db2.gz FBOXMPZVXFHTPX-UWVGGRQHSA-N -1 1 274.328 1.550 20 0 CDADMM Cc1ccc(N[C@H]2CCO[C@@H](C)C2)nc1-c1nn[n-]n1 ZINC001592183461 1173828019 /nfs/dbraw/zinc/82/80/19/1173828019.db2.gz FBOXMPZVXFHTPX-UWVGGRQHSA-N -1 1 274.328 1.550 20 0 CDADMM Cc1ccc(NCCCOC(C)C)nc1-c1nnn[n-]1 ZINC001592186448 1173830236 /nfs/dbraw/zinc/83/02/36/1173830236.db2.gz VXUKIZXSLTZBCB-UHFFFAOYSA-N -1 1 276.344 1.797 20 0 CDADMM Cc1ccc(NCCCOC(C)C)nc1-c1nn[n-]n1 ZINC001592186448 1173830241 /nfs/dbraw/zinc/83/02/41/1173830241.db2.gz VXUKIZXSLTZBCB-UHFFFAOYSA-N -1 1 276.344 1.797 20 0 CDADMM Cc1cccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001592216029 1173832529 /nfs/dbraw/zinc/83/25/29/1173832529.db2.gz AQIISFVUMBXIDU-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM Cc1cccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001592216029 1173832533 /nfs/dbraw/zinc/83/25/33/1173832533.db2.gz AQIISFVUMBXIDU-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM Cc1cccc(CNc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001592230946 1173836101 /nfs/dbraw/zinc/83/61/01/1173836101.db2.gz XSWUSFIHZHHPNL-UHFFFAOYSA-N -1 1 255.285 1.510 20 0 CDADMM Cc1cccc(CNc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001592230946 1173836107 /nfs/dbraw/zinc/83/61/07/1173836107.db2.gz XSWUSFIHZHHPNL-UHFFFAOYSA-N -1 1 255.285 1.510 20 0 CDADMM Cc1cccc2c1CN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001592244797 1173836533 /nfs/dbraw/zinc/83/65/33/1173836533.db2.gz KZQSLTPIJGDDLU-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@@H](C)CC(C)(C)C)c1-c1nn[n-]n1 ZINC001592327668 1173853691 /nfs/dbraw/zinc/85/36/91/1173853691.db2.gz LLAYHTAUYHGPRJ-ZETCQYMHSA-N -1 1 291.359 1.909 20 0 CDADMM Cc1[nH]nc(NCc2cc(F)ccc2F)c1-c1nnn[n-]1 ZINC001592330603 1173856457 /nfs/dbraw/zinc/85/64/57/1173856457.db2.gz KLMUSWFAMSDWID-UHFFFAOYSA-N -1 1 291.265 1.789 20 0 CDADMM Cc1[nH]nc(NCc2cc(F)ccc2F)c1-c1nn[n-]n1 ZINC001592330603 1173856462 /nfs/dbraw/zinc/85/64/62/1173856462.db2.gz KLMUSWFAMSDWID-UHFFFAOYSA-N -1 1 291.265 1.789 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@H]2CCO[C@@H](C)C2)c1C ZINC001592340619 1173861817 /nfs/dbraw/zinc/86/18/17/1173861817.db2.gz YOTYAVFHAKXQAE-KWQFWETISA-N -1 1 276.344 1.495 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@H]2CCO[C@@H](C)C2)c1C ZINC001592340619 1173861821 /nfs/dbraw/zinc/86/18/21/1173861821.db2.gz YOTYAVFHAKXQAE-KWQFWETISA-N -1 1 276.344 1.495 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](C)[C@H]2C)n1 ZINC001592341371 1173863046 /nfs/dbraw/zinc/86/30/46/1173863046.db2.gz RFVLJNQEOSQUHR-DTWKUNHWSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](C)[C@H]2C)n1 ZINC001592341371 1173863052 /nfs/dbraw/zinc/86/30/52/1173863052.db2.gz RFVLJNQEOSQUHR-DTWKUNHWSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1nc(NC(=O)c2ccc(-c3nn[n-]n3)o2)sc1C ZINC001592378537 1173872170 /nfs/dbraw/zinc/87/21/70/1173872170.db2.gz AIWAUXFTNCZNFL-UHFFFAOYSA-N -1 1 290.308 1.785 20 0 CDADMM Cc1nc(N[C@H](C)C(F)F)cc(-c2nnn[n-]2)n1 ZINC001592378081 1173873703 /nfs/dbraw/zinc/87/37/03/1173873703.db2.gz BCCGXTSNVZGRAZ-SCSAIBSYSA-N -1 1 255.232 1.031 20 0 CDADMM Cc1nc(N[C@H](C)C(F)F)cc(-c2nn[n-]n2)n1 ZINC001592378081 1173873708 /nfs/dbraw/zinc/87/37/08/1173873708.db2.gz BCCGXTSNVZGRAZ-SCSAIBSYSA-N -1 1 255.232 1.031 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCCC(C)(F)F ZINC001592503757 1173907669 /nfs/dbraw/zinc/90/76/69/1173907669.db2.gz YQOXCTXBMIVRBO-UHFFFAOYSA-N -1 1 299.281 1.933 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCCC(C)(F)F ZINC001592503757 1173907674 /nfs/dbraw/zinc/90/76/74/1173907674.db2.gz YQOXCTXBMIVRBO-UHFFFAOYSA-N -1 1 299.281 1.933 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC1(C2CC2)CC1 ZINC001592502579 1173908666 /nfs/dbraw/zinc/90/86/66/1173908666.db2.gz MXROCTIVOYQPFR-UHFFFAOYSA-N -1 1 287.323 1.688 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC1(C2CC2)CC1 ZINC001592502579 1173908674 /nfs/dbraw/zinc/90/86/74/1173908674.db2.gz MXROCTIVOYQPFR-UHFFFAOYSA-N -1 1 287.323 1.688 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CSC1(C)C ZINC001592502640 1173909052 /nfs/dbraw/zinc/90/90/52/1173909052.db2.gz OXOXAXYURXAMNV-VIFPVBQESA-N -1 1 293.352 1.392 20 0 CDADMM Clc1cccc2c1CN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001592536182 1173912945 /nfs/dbraw/zinc/91/29/45/1173912945.db2.gz QZTGXRQAVUDJMC-UHFFFAOYSA-N -1 1 299.725 1.830 20 0 CDADMM Clc1cccc2c1CN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001592536182 1173912949 /nfs/dbraw/zinc/91/29/49/1173912949.db2.gz QZTGXRQAVUDJMC-UHFFFAOYSA-N -1 1 299.725 1.830 20 0 CDADMM Clc1nc(N2CC=CC2)sc1-c1nnn[n-]1 ZINC001592541404 1173916531 /nfs/dbraw/zinc/91/65/31/1173916531.db2.gz XMAXHXAAQLJBQT-UHFFFAOYSA-N -1 1 254.706 1.353 20 0 CDADMM Clc1nc(N2CC=CC2)sc1-c1nn[n-]n1 ZINC001592541404 1173916535 /nfs/dbraw/zinc/91/65/35/1173916535.db2.gz XMAXHXAAQLJBQT-UHFFFAOYSA-N -1 1 254.706 1.353 20 0 CDADMM FC1(F)CC12CC(Nc1nccnc1-c1nnn[n-]1)C2 ZINC001592630538 1173938267 /nfs/dbraw/zinc/93/82/67/1173938267.db2.gz NSZUWOAVAYELEH-UHFFFAOYSA-N -1 1 279.254 1.256 20 0 CDADMM FC1(F)CC12CC(Nc1nccnc1-c1nn[n-]n1)C2 ZINC001592630538 1173938272 /nfs/dbraw/zinc/93/82/72/1173938272.db2.gz NSZUWOAVAYELEH-UHFFFAOYSA-N -1 1 279.254 1.256 20 0 CDADMM Fc1cccc(OC[C@H]2C[C@]23CCOC3)c1-c1nnn[n-]1 ZINC001592658569 1173956936 /nfs/dbraw/zinc/95/69/36/1173956936.db2.gz VEEBUBDZZQGDII-OTYXRUKQSA-N -1 1 290.298 1.811 20 0 CDADMM Fc1cccc(OC[C@H]2C[C@]23CCOC3)c1-c1nn[n-]n1 ZINC001592658569 1173956941 /nfs/dbraw/zinc/95/69/41/1173956941.db2.gz VEEBUBDZZQGDII-OTYXRUKQSA-N -1 1 290.298 1.811 20 0 CDADMM Fc1cccc([C@@H]2C[C@H]2Nc2cncc(-c3nnn[n-]3)n2)c1 ZINC001592658502 1173957327 /nfs/dbraw/zinc/95/73/27/1173957327.db2.gz PVNDTPPOFCLLQA-WDEREUQCSA-N -1 1 297.297 1.764 20 0 CDADMM Fc1cccc([C@@H]2C[C@H]2Nc2cncc(-c3nn[n-]n3)n2)c1 ZINC001592658502 1173957330 /nfs/dbraw/zinc/95/73/30/1173957330.db2.gz PVNDTPPOFCLLQA-WDEREUQCSA-N -1 1 297.297 1.764 20 0 CDADMM O=C(N[C@H]1CC2CCC1CC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001592971136 1174009196 /nfs/dbraw/zinc/00/91/96/1174009196.db2.gz IUCDGJGBPSDGOT-CBINBANVSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(N[C@H]1CC2CCC1CC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001592971136 1174009200 /nfs/dbraw/zinc/00/92/00/1174009200.db2.gz IUCDGJGBPSDGOT-CBINBANVSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccsc1-c1nnn[n-]1 ZINC001592973932 1174010439 /nfs/dbraw/zinc/01/04/39/1174010439.db2.gz LOKVFVKLLMSOMI-XHNCKOQMSA-N -1 1 289.364 1.847 20 0 CDADMM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccsc1-c1nn[n-]n1 ZINC001592973932 1174010440 /nfs/dbraw/zinc/01/04/40/1174010440.db2.gz LOKVFVKLLMSOMI-XHNCKOQMSA-N -1 1 289.364 1.847 20 0 CDADMM O=C(NCCn1cccc1)c1csc(-c2nn[n-]n2)c1 ZINC001593107505 1174020878 /nfs/dbraw/zinc/02/08/78/1174020878.db2.gz MYUJWFPCWSBYRH-UHFFFAOYSA-N -1 1 288.336 1.160 20 0 CDADMM O=C(NCCCC1CCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593066559 1174021573 /nfs/dbraw/zinc/02/15/73/1174021573.db2.gz GOFQHANLGGDUIG-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM O=C(NCCCC1CCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593066559 1174021578 /nfs/dbraw/zinc/02/15/78/1174021578.db2.gz GOFQHANLGGDUIG-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM O=C(NCCc1ccco1)c1csc(-c2nn[n-]n2)c1 ZINC001593105876 1174022098 /nfs/dbraw/zinc/02/20/98/1174022098.db2.gz YARITGIHGRVLTN-UHFFFAOYSA-N -1 1 289.320 1.494 20 0 CDADMM O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccnc(-c2nnn[n-]2)c1 ZINC001593179883 1174029263 /nfs/dbraw/zinc/02/92/63/1174029263.db2.gz AKOROPXNPNPYES-ZMLRMANQSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccnc(-c2nn[n-]n2)c1 ZINC001593179883 1174029273 /nfs/dbraw/zinc/02/92/73/1174029273.db2.gz AKOROPXNPNPYES-ZMLRMANQSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1CC12CCC2 ZINC001593244247 1174039611 /nfs/dbraw/zinc/03/96/11/1174039611.db2.gz VPOSQGOREPRTDH-QMMMGPOBSA-N -1 1 270.296 1.390 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1CC12CCC2 ZINC001593244247 1174039619 /nfs/dbraw/zinc/03/96/19/1174039619.db2.gz VPOSQGOREPRTDH-QMMMGPOBSA-N -1 1 270.296 1.390 20 0 CDADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)NC1CCC1 ZINC001593263501 1174042397 /nfs/dbraw/zinc/04/23/97/1174042397.db2.gz BIMUVQJDXLJZDN-UHFFFAOYSA-N -1 1 299.747 1.651 20 0 CDADMM O=C(OC[C@H]1C[C@@]12CCOC2)c1ccc(-c2nn[n-]n2)o1 ZINC001593285353 1174051040 /nfs/dbraw/zinc/05/10/40/1174051040.db2.gz TYVINLQJEVESFV-AMIZOPFISA-N -1 1 290.279 1.043 20 0 CDADMM O=C(OCCC1CCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001593287576 1174054949 /nfs/dbraw/zinc/05/49/49/1174054949.db2.gz YVXNOENMJCCJCT-UHFFFAOYSA-N -1 1 262.269 1.807 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCc2cccnc21 ZINC001593339413 1174067866 /nfs/dbraw/zinc/06/78/66/1174067866.db2.gz QOGBLUKVLQVQTB-UHFFFAOYSA-N -1 1 282.263 1.058 20 0 CDADMM O=c1c2sccc2c(-c2nn[n-]n2)cn1C/C=C/Cl ZINC001593493586 1174088419 /nfs/dbraw/zinc/08/84/19/1174088419.db2.gz CALLPMKDQPTDDT-HNQUOIGGSA-N -1 1 293.739 1.996 20 0 CDADMM OCC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001593532031 1174107906 /nfs/dbraw/zinc/10/79/06/1174107906.db2.gz FTUSSZWZNYGLOD-LLVKDONJSA-N -1 1 297.322 1.192 20 0 CDADMM OCC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001593532031 1174107910 /nfs/dbraw/zinc/10/79/10/1174107910.db2.gz FTUSSZWZNYGLOD-LLVKDONJSA-N -1 1 297.322 1.192 20 0 CDADMM Oc1cccc(Sc2cncc(-c3nnn[n-]3)n2)c1 ZINC001593540353 1174111390 /nfs/dbraw/zinc/11/13/90/1174111390.db2.gz SPHCCWYAXMXBGF-UHFFFAOYSA-N -1 1 272.293 1.514 20 0 CDADMM Oc1cccc(Sc2cncc(-c3nn[n-]n3)n2)c1 ZINC001593540353 1174111393 /nfs/dbraw/zinc/11/13/93/1174111393.db2.gz SPHCCWYAXMXBGF-UHFFFAOYSA-N -1 1 272.293 1.514 20 0 CDADMM c1c[nH]c(CCNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)c1 ZINC001593545009 1174115424 /nfs/dbraw/zinc/11/54/24/1174115424.db2.gz TZZWKBNJBSYSTH-UHFFFAOYSA-N -1 1 296.338 1.517 20 0 CDADMM c1c[nH]c(CCNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)c1 ZINC001593545009 1174115428 /nfs/dbraw/zinc/11/54/28/1174115428.db2.gz TZZWKBNJBSYSTH-UHFFFAOYSA-N -1 1 296.338 1.517 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(-c2nc(C3CCOCC3)no2)c1 ZINC001593550031 1174121983 /nfs/dbraw/zinc/12/19/83/1174121983.db2.gz MAUBJDPFLXHIPU-UHFFFAOYSA-N -1 1 299.294 1.206 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(-c2nc(C3CCOCC3)no2)c1 ZINC001593550031 1174121988 /nfs/dbraw/zinc/12/19/88/1174121988.db2.gz MAUBJDPFLXHIPU-UHFFFAOYSA-N -1 1 299.294 1.206 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1N[C@@H]1C[C@H]1C1CCC1 ZINC001593551466 1174125267 /nfs/dbraw/zinc/12/52/67/1174125267.db2.gz LJIMPAXYDWTPKE-WCBMZHEXSA-N -1 1 257.301 1.257 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1N[C@@H]1C[C@H]1C1CCC1 ZINC001593551466 1174125270 /nfs/dbraw/zinc/12/52/70/1174125270.db2.gz LJIMPAXYDWTPKE-WCBMZHEXSA-N -1 1 257.301 1.257 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC1CCC2(CC2)CC1 ZINC001593551780 1174125495 /nfs/dbraw/zinc/12/54/95/1174125495.db2.gz PJXUVVYIUCJFIS-UHFFFAOYSA-N -1 1 271.328 1.791 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC1CCC2(CC2)CC1 ZINC001593551780 1174125499 /nfs/dbraw/zinc/12/54/99/1174125499.db2.gz PJXUVVYIUCJFIS-UHFFFAOYSA-N -1 1 271.328 1.791 20 0 CDADMM c1cc(C2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)no1 ZINC001593554126 1174126683 /nfs/dbraw/zinc/12/66/83/1174126683.db2.gz NDXNKWHLZUGKAN-UHFFFAOYSA-N -1 1 298.310 1.029 20 0 CDADMM c1cc(C2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)no1 ZINC001593554126 1174126688 /nfs/dbraw/zinc/12/66/88/1174126688.db2.gz NDXNKWHLZUGKAN-UHFFFAOYSA-N -1 1 298.310 1.029 20 0 CDADMM c1ccc([C@@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)nc1 ZINC001593571309 1174143226 /nfs/dbraw/zinc/14/32/26/1174143226.db2.gz RPITYTADJFAGBO-ZDUSSCGKSA-N -1 1 294.322 1.615 20 0 CDADMM c1ccc([C@@H](Nc2cncc(-c3nn[n-]n3)n2)C2CC2)nc1 ZINC001593571309 1174143229 /nfs/dbraw/zinc/14/32/29/1174143229.db2.gz RPITYTADJFAGBO-ZDUSSCGKSA-N -1 1 294.322 1.615 20 0 CDADMM c1ccc([C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001593574040 1174144738 /nfs/dbraw/zinc/14/47/38/1174144738.db2.gz VYBSROSSSVSKRH-LBPRGKRZSA-N -1 1 293.334 1.998 20 0 CDADMM c1ccc2c(CNc3ncncc3-c3nn[n-]n3)noc2c1 ZINC001593578166 1174145425 /nfs/dbraw/zinc/14/54/25/1174145425.db2.gz XQGWNDVWTXAYHI-UHFFFAOYSA-N -1 1 294.278 1.410 20 0 CDADMM c1ccc2c(c1)CN(c1cncc(-c3nnn[n-]3)n1)CCN2 ZINC001593580519 1174147328 /nfs/dbraw/zinc/14/73/28/1174147328.db2.gz MVNGIEVYEUHRMD-UHFFFAOYSA-N -1 1 294.322 1.089 20 0 CDADMM c1ccc2c(c1)CN(c1cncc(-c3nn[n-]n3)n1)CCN2 ZINC001593580519 1174147331 /nfs/dbraw/zinc/14/73/31/1174147331.db2.gz MVNGIEVYEUHRMD-UHFFFAOYSA-N -1 1 294.322 1.089 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCC2CCSCC2)c1 ZINC001593583632 1174148357 /nfs/dbraw/zinc/14/83/57/1174148357.db2.gz CAXQFPWFLSKLTE-UHFFFAOYSA-N -1 1 276.369 1.817 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCC2CCSCC2)c1 ZINC001593583632 1174148362 /nfs/dbraw/zinc/14/83/62/1174148362.db2.gz CAXQFPWFLSKLTE-UHFFFAOYSA-N -1 1 276.369 1.817 20 0 CDADMM c1ccc2c(c1)C[C@@H]1[C@@H](Nc3cc(-c4nnn[n-]4)ncn3)[C@H]21 ZINC001593580344 1174148640 /nfs/dbraw/zinc/14/86/40/1174148640.db2.gz UQMVPDUIYQKPPX-ZLKJLUDKSA-N -1 1 291.318 1.407 20 0 CDADMM c1ccc2c(c1)C[C@@H]1[C@@H](Nc3cc(-c4nn[n-]n4)ncn3)[C@H]21 ZINC001593580344 1174148646 /nfs/dbraw/zinc/14/86/46/1174148646.db2.gz UQMVPDUIYQKPPX-ZLKJLUDKSA-N -1 1 291.318 1.407 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OCc2nnc(C3CC3)o2)c1 ZINC001593585336 1174152520 /nfs/dbraw/zinc/15/25/20/1174152520.db2.gz RCSHOYMLAGZQQL-UHFFFAOYSA-N -1 1 285.267 1.101 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OCc2nnc(C3CC3)o2)c1 ZINC001593585336 1174152527 /nfs/dbraw/zinc/15/25/27/1174152527.db2.gz RCSHOYMLAGZQQL-UHFFFAOYSA-N -1 1 285.267 1.101 20 0 CDADMM c1coc(CSc2ncncc2-c2nnn[n-]2)c1 ZINC001593588564 1174154563 /nfs/dbraw/zinc/15/45/63/1174154563.db2.gz FHQBYRLNXODZKN-UHFFFAOYSA-N -1 1 260.282 1.542 20 0 CDADMM c1coc(CSc2ncncc2-c2nn[n-]n2)c1 ZINC001593588564 1174154566 /nfs/dbraw/zinc/15/45/66/1174154566.db2.gz FHQBYRLNXODZKN-UHFFFAOYSA-N -1 1 260.282 1.542 20 0 CDADMM c1nc(NC[C@]23C[C@H]2CCC3)cc(-c2nnn[n-]2)n1 ZINC001593590899 1174159353 /nfs/dbraw/zinc/15/93/53/1174159353.db2.gz HZBZEOGFYWCAPE-PELKAZGASA-N -1 1 257.301 1.259 20 0 CDADMM c1nc(NC[C@]23C[C@H]2CCC3)cc(-c2nn[n-]n2)n1 ZINC001593590899 1174159359 /nfs/dbraw/zinc/15/93/59/1174159359.db2.gz HZBZEOGFYWCAPE-PELKAZGASA-N -1 1 257.301 1.259 20 0 CDADMM c1ncc(N2CCCC[C@H]2C2CCC2)nc1-c1nnn[n-]1 ZINC001593593042 1174159403 /nfs/dbraw/zinc/15/94/03/1174159403.db2.gz JDPNPPHCHHBAPG-LBPRGKRZSA-N -1 1 285.355 1.816 20 0 CDADMM c1ncc(N2CCCC[C@H]2C2CCC2)nc1-c1nn[n-]n1 ZINC001593593042 1174159406 /nfs/dbraw/zinc/15/94/06/1174159406.db2.gz JDPNPPHCHHBAPG-LBPRGKRZSA-N -1 1 285.355 1.816 20 0 CDADMM c1nc(N[C@@H]2CCC[C@H]3OCC[C@H]32)cc(-c2nnn[n-]2)n1 ZINC001593591644 1174159780 /nfs/dbraw/zinc/15/97/80/1174159780.db2.gz SGUDWBOSTMHUOH-IQJOONFLSA-N -1 1 287.327 1.026 20 0 CDADMM c1nc(N[C@@H]2CCC[C@H]3OCC[C@H]32)cc(-c2nn[n-]n2)n1 ZINC001593591644 1174159784 /nfs/dbraw/zinc/15/97/84/1174159784.db2.gz SGUDWBOSTMHUOH-IQJOONFLSA-N -1 1 287.327 1.026 20 0 CDADMM c1nn(CC2CC2)cc1Nc1ncncc1-c1nn[n-]n1 ZINC001593594861 1174164935 /nfs/dbraw/zinc/16/49/35/1174164935.db2.gz IWOCACVNAZNTLE-UHFFFAOYSA-N -1 1 283.299 1.007 20 0 CDADMM c1sc(CSCC2CC2)nc1-c1nnn[n-]1 ZINC001593595616 1174164960 /nfs/dbraw/zinc/16/49/60/1174164960.db2.gz ZMOZXSLJIKWWMP-UHFFFAOYSA-N -1 1 253.356 1.966 20 0 CDADMM c1sc(CSCC2CC2)nc1-c1nn[n-]n1 ZINC001593595616 1174164964 /nfs/dbraw/zinc/16/49/64/1174164964.db2.gz ZMOZXSLJIKWWMP-UHFFFAOYSA-N -1 1 253.356 1.966 20 0 CDADMM CCn1cc(CN[C@@H](C(=O)[O-])c2cccnc2)cn1 ZINC001597889550 1174296433 /nfs/dbraw/zinc/29/64/33/1174296433.db2.gz IANZFAHDJNKNPA-GFCCVEGCSA-N -1 1 260.297 1.214 20 0 CDADMM Cc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cs1 ZINC001600082857 1174356191 /nfs/dbraw/zinc/35/61/91/1174356191.db2.gz BQEKHUAVVRDFNE-JTQLQIEISA-N -1 1 296.392 1.678 20 0 CDADMM Cc1cc(CN)oc1C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001600191445 1174396978 /nfs/dbraw/zinc/39/69/78/1174396978.db2.gz JLYZGJBMYHHVII-JTQLQIEISA-N -1 1 268.313 1.276 20 0 CDADMM Cc1cc(COC(=O)[C@H](C(C)C)N(C)C)oc1C(=O)[O-] ZINC001600212346 1174410955 /nfs/dbraw/zinc/41/09/55/1174410955.db2.gz QQTHYYWECKHWJU-NSHDSACASA-N -1 1 283.324 1.916 20 0 CDADMM Cc1cc(NC(=O)CN[C@@H](C(=O)[O-])C2CCCCC2)on1 ZINC001600256294 1174425574 /nfs/dbraw/zinc/42/55/74/1174425574.db2.gz GWGYYZZNUZINAZ-CYBMUJFWSA-N -1 1 295.339 1.545 20 0 CDADMM Cc1ccc(NC(=O)CN2CC[C@H](C)C2)c(C(=O)[O-])c1 ZINC001600447386 1174478361 /nfs/dbraw/zinc/47/83/61/1174478361.db2.gz AVZYUOWFNUKKTF-NSHDSACASA-N -1 1 276.336 1.974 20 0 CDADMM Cc1cnc(=S)n(CN2CC[C@H](C(=O)[O-])[C@H]2C)c1 ZINC001600616214 1174529438 /nfs/dbraw/zinc/52/94/38/1174529438.db2.gz CSJVQYLGYFQYPA-ZJUUUORDSA-N -1 1 267.354 1.674 20 0 CDADMM Cc1cnc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c(O)c1 ZINC001600616137 1174530502 /nfs/dbraw/zinc/53/05/02/1174530502.db2.gz MYFLTLOJSKYTAK-NSHDSACASA-N -1 1 298.298 1.924 20 0 CDADMM Cn1cc(Cl)c(CN[C@H]2CC[C@@H](CC(=O)[O-])C2)n1 ZINC001600956666 1174679557 /nfs/dbraw/zinc/67/95/57/1174679557.db2.gz HMYRDVHPBNDETI-BDAKNGLRSA-N -1 1 271.748 1.807 20 0 CDADMM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1[C@H](C(=O)[O-])c1ccccc1 ZINC001601141353 1174760331 /nfs/dbraw/zinc/76/03/31/1174760331.db2.gz LEUIODDBCUQRAA-MQYQWHSLSA-N -1 1 288.347 1.398 20 0 CDADMM O=C([O-])c1cccc(NC(=O)CN2CC[C@@H]3C[C@@H]3C2)c1 ZINC001601308423 1174830515 /nfs/dbraw/zinc/83/05/15/1174830515.db2.gz LNZCTOSUSUPHHE-ZYHUDNBSSA-N -1 1 274.320 1.665 20 0 CDADMM O=C([O-])C1(NC(=O)c2ccc(Nc3ccncc3)cc2)CC1 ZINC001601429090 1174867977 /nfs/dbraw/zinc/86/79/77/1174867977.db2.gz SBLQUCZUFAYASX-UHFFFAOYSA-N -1 1 297.314 1.594 20 0 CDADMM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1c[nH]c2ccccc2c1=O ZINC001601571252 1174902592 /nfs/dbraw/zinc/90/25/92/1174902592.db2.gz GPARZGJVQSXRAY-SKDRFNHKSA-N -1 1 286.287 1.121 20 0 CDADMM O=C([O-])CC[N@@H+](CC(=O)[O-])Cc1ccnc2ccccc12 ZINC001602005265 1175108324 /nfs/dbraw/zinc/10/83/24/1175108324.db2.gz ZEYXWHDUOGAGHO-UHFFFAOYSA-N -1 1 288.303 1.596 20 0 CDADMM O=C([O-])COc1cccc(CNCC2(F)CC2)c1 ZINC001602100929 1175131066 /nfs/dbraw/zinc/13/10/66/1175131066.db2.gz DLMSLFHHWDEKTO-UHFFFAOYSA-N -1 1 253.273 1.742 20 0 CDADMM O=C([O-])[C@@H]1CCCN1Cc1cn2ccnc2s1 ZINC001602173878 1175151866 /nfs/dbraw/zinc/15/18/66/1175151866.db2.gz UNDAORGGXVQYJU-VIFPVBQESA-N -1 1 251.311 1.445 20 0 CDADMM O=C([O-])c1ccc(C(=O)N2CCC(c3nc[nH]n3)CC2)o1 ZINC001602318143 1175200645 /nfs/dbraw/zinc/20/06/45/1175200645.db2.gz SGRLGCPAQUGPFV-UHFFFAOYSA-N -1 1 290.279 1.116 20 0 CDADMM O=C([O-])c1cn(CCN[C@H]2CCCc3scnc32)nn1 ZINC001602505423 1175262682 /nfs/dbraw/zinc/26/26/82/1175262682.db2.gz IDNFOWUKQVIEAT-QMMMGPOBSA-N -1 1 293.352 1.100 20 0 CDADMM O=C([O-])c1nccnc1NCc1ccc2nc[nH]c2c1 ZINC001602579970 1175306999 /nfs/dbraw/zinc/30/69/99/1175306999.db2.gz ZGFOSAANHFSEOC-UHFFFAOYSA-N -1 1 269.264 1.663 20 0 CDADMM CC(=O)N1CCN(CCc2ccccc2C(=O)[O-])[C@H](C)C1 ZINC001603024222 1175478590 /nfs/dbraw/zinc/47/85/90/1175478590.db2.gz FIVJAXGDJABWSC-GFCCVEGCSA-N -1 1 290.363 1.480 20 0 CDADMM C[C@@H](C(=O)Nc1ncc(-c2nnn[n-]2)s1)C1CC1 ZINC001603031779 1175480177 /nfs/dbraw/zinc/48/01/77/1175480177.db2.gz KUKUXXQXLAXDHH-RXMQYKEDSA-N -1 1 264.314 1.308 20 0 CDADMM C[C@@H](C(=O)Nc1ncc(-c2nn[n-]n2)s1)C1CC1 ZINC001603031779 1175480182 /nfs/dbraw/zinc/48/01/82/1175480182.db2.gz KUKUXXQXLAXDHH-RXMQYKEDSA-N -1 1 264.314 1.308 20 0 CDADMM CC(C)(C(=O)n1ncc(-c2nn[n-]n2)c1N)C1CCCC1 ZINC001603049856 1175482989 /nfs/dbraw/zinc/48/29/89/1175482989.db2.gz HRJPKKFFAZOKCF-UHFFFAOYSA-N -1 1 289.343 1.502 20 0 CDADMM CC(C)(C)C1CN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001603067651 1175485305 /nfs/dbraw/zinc/48/53/05/1175485305.db2.gz OEMUQTHMGBNCIJ-UHFFFAOYSA-N -1 1 259.317 1.139 20 0 CDADMM CC(C)(C)C1CN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001603067651 1175485309 /nfs/dbraw/zinc/48/53/09/1175485309.db2.gz OEMUQTHMGBNCIJ-UHFFFAOYSA-N -1 1 259.317 1.139 20 0 CDADMM CC(C)=CCCNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001603186354 1175510441 /nfs/dbraw/zinc/51/04/41/1175510441.db2.gz NMQIBACWTBWHSO-UHFFFAOYSA-N -1 1 286.339 1.277 20 0 CDADMM CC(C)=CCCNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001603186354 1175510446 /nfs/dbraw/zinc/51/04/46/1175510446.db2.gz NMQIBACWTBWHSO-UHFFFAOYSA-N -1 1 286.339 1.277 20 0 CDADMM CC(C)CCCC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001603277493 1175529861 /nfs/dbraw/zinc/52/98/61/1175529861.db2.gz SKGDZRGGHWGFLB-UHFFFAOYSA-N -1 1 263.305 1.355 20 0 CDADMM CC(C)CCOC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001603283740 1175532593 /nfs/dbraw/zinc/53/25/93/1175532593.db2.gz VRSIAKCTPYCLEK-UHFFFAOYSA-N -1 1 275.312 1.394 20 0 CDADMM CC(C)CCOC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001603283740 1175532596 /nfs/dbraw/zinc/53/25/96/1175532596.db2.gz VRSIAKCTPYCLEK-UHFFFAOYSA-N -1 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C[C@@H](CN(C)C(=O)Cc1c(F)cccc1F)c1nn[n-]n1 ZINC000124416397 187136666 /nfs/dbraw/zinc/13/66/66/187136666.db2.gz WHKXJPBUBZEGOA-QMMMGPOBSA-N -1 1 295.293 1.283 20 0 CDADMM Cc1ncc(CNC(=O)c2c(F)ccc([O-])c2F)o1 ZINC000622691861 341999080 /nfs/dbraw/zinc/99/90/80/341999080.db2.gz CXBAGCSVELNWPQ-UHFFFAOYSA-N -1 1 268.219 1.897 20 0 CDADMM COc1ccc([O-])c(S(=O)(=O)N[C@H](C)CSC)c1 ZINC000601349758 342556151 /nfs/dbraw/zinc/55/61/51/342556151.db2.gz IVGQJGRNAPKCKN-MRVPVSSYSA-N -1 1 291.394 1.431 20 0 CDADMM O=C([O-])c1cc(NC2CCC(C(=O)[O-])CC2)cc[nH+]1 ZINC000650773468 398196299 /nfs/dbraw/zinc/19/62/99/398196299.db2.gz XJDBXNCLNRVTFY-UHFFFAOYSA-N -1 1 264.281 1.257 20 0 CDADMM COc1cc(Br)ccc1C(=O)Nc1nnn[n-]1 ZINC000135474716 361735983 /nfs/dbraw/zinc/73/59/83/361735983.db2.gz IENMRKXMYWQTNE-UHFFFAOYSA-N -1 1 298.100 1.223 20 0 CDADMM COc1cc(Br)ccc1C(=O)Nc1nn[n-]n1 ZINC000135474716 361735992 /nfs/dbraw/zinc/73/59/92/361735992.db2.gz IENMRKXMYWQTNE-UHFFFAOYSA-N -1 1 298.100 1.223 20 0 CDADMM O=c1cc(CN2CCC[C@@H]3CCC[C@H]32)nc2cc[n-]n21 ZINC000533295702 282108566 /nfs/dbraw/zinc/10/85/66/282108566.db2.gz JHEYQMHNDVPYPS-WCQYABFASA-N -1 1 272.352 1.787 20 0 CDADMM CSc1n[nH]c(NC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)n1 ZINC000624924017 342022190 /nfs/dbraw/zinc/02/21/90/342022190.db2.gz IWADDJWPCXVTLV-NGJRWZKOSA-N -1 1 270.358 1.525 20 0 CDADMM CCC[C@H](NC(=O)N=c1[n-]sc2ccccc21)C(N)=O ZINC000640339077 361795404 /nfs/dbraw/zinc/79/54/04/361795404.db2.gz KKMSYOGYGXQBAZ-VIFPVBQESA-N -1 1 292.364 1.494 20 0 CDADMM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc(F)cc2O)C1 ZINC000236424566 342054270 /nfs/dbraw/zinc/05/42/70/342054270.db2.gz SCKRHOYGNBNYID-VIFPVBQESA-N -1 1 281.283 1.858 20 0 CDADMM CC(C)(NC(=O)[C@@H]1C[C@]12CCc1ccccc12)c1nn[n-]n1 ZINC000354776991 365685247 /nfs/dbraw/zinc/68/52/47/365685247.db2.gz RXHLQYZBYVDSTR-LRDDRELGSA-N -1 1 297.362 1.455 20 0 CDADMM CCO[C@@H](C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629372687 361873502 /nfs/dbraw/zinc/87/35/02/361873502.db2.gz 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PRLYRHVJRFPOIC-UHFFFAOYSA-N -1 1 260.326 1.862 20 0 CDADMM CC(C)(NC(=O)c1cccc(C(F)F)c1)c1nn[n-]n1 ZINC000354782871 365688518 /nfs/dbraw/zinc/68/85/18/365688518.db2.gz ILHHGYYXTNTJMB-UHFFFAOYSA-N -1 1 281.266 1.802 20 0 CDADMM CC[C@H](CO)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000157918248 539109537 /nfs/dbraw/zinc/10/95/37/539109537.db2.gz HVKFXMTYOABACW-SNVBAGLBSA-N -1 1 269.322 1.482 20 0 CDADMM CC(C)C[C@@H](C)CC(=O)NC(C)(C)c1nn[n-]n1 ZINC000354783836 365688720 /nfs/dbraw/zinc/68/87/20/365688720.db2.gz FYBVPEIODDPCDK-SECBINFHSA-N -1 1 253.350 1.623 20 0 CDADMM CC(C)[C@@H](CO)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000125663629 187195629 /nfs/dbraw/zinc/19/56/29/187195629.db2.gz KIERQDQPBRTIOV-SECBINFHSA-N -1 1 279.308 1.260 20 0 CDADMM CCCc1cc(=O)n2[n-]c(NC(=O)C(CC)CC)nc2n1 ZINC000622995880 342275041 /nfs/dbraw/zinc/27/50/41/342275041.db2.gz SFBMPZNMICEJIS-UHFFFAOYSA-N -1 1 291.355 1.745 20 0 CDADMM C[C@@H](NC(=O)[C@@H](C)N(C)Cc1ccccc1)C(=O)[O-] ZINC000032026573 539134642 /nfs/dbraw/zinc/13/46/42/539134642.db2.gz YVFYFAXYAHQAMY-GHMZBOCLSA-N -1 1 264.325 1.096 20 0 CDADMM COc1ccc(C)cc1CC(=O)NC(C)(C)c1nn[n-]n1 ZINC000354786073 365689737 /nfs/dbraw/zinc/68/97/37/365689737.db2.gz HLWIMDKHGRLBRY-UHFFFAOYSA-N -1 1 289.339 1.111 20 0 CDADMM CCS(=O)(=O)[N-]c1cc(C(=O)OC(C)(C)C)ccn1 ZINC000594724594 342949146 /nfs/dbraw/zinc/94/91/46/342949146.db2.gz XBPZAJORNJIGBB-UHFFFAOYSA-N -1 1 286.353 1.799 20 0 CDADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@]23C[C@H]2CCC3)o1 ZINC000594801208 342958390 /nfs/dbraw/zinc/95/83/90/342958390.db2.gz COZRNUXMCYYGPT-PRHODGIISA-N -1 1 285.321 1.287 20 0 CDADMM COC(=O)C[C@@H](O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289304124 342296800 /nfs/dbraw/zinc/29/68/00/342296800.db2.gz BWTPDYPNOVFBHS-RXMQYKEDSA-N -1 1 294.279 1.136 20 0 CDADMM CC(C)CSCCCN(C)Cc1n[n-]c(=O)o1 ZINC000595547419 343084206 /nfs/dbraw/zinc/08/42/06/343084206.db2.gz ODECNNDLHXOXBI-UHFFFAOYSA-N -1 1 259.375 1.986 20 0 CDADMM CCC[C@H](NC(=O)[C@@H]1[C@@H](C)C1(F)F)c1nn[n-]n1 ZINC000359889665 362011273 /nfs/dbraw/zinc/01/12/73/362011273.db2.gz KRIDTHJLOXDYJJ-VQVTYTSYSA-N -1 1 259.260 1.058 20 0 CDADMM Cc1c(C(=O)Nc2nnn[n-]2)cnn1CCC(C)C ZINC000441811507 362043723 /nfs/dbraw/zinc/04/37/23/362043723.db2.gz FWUJOXWEQRFRBL-UHFFFAOYSA-N -1 1 263.305 1.003 20 0 CDADMM Cc1c(C(=O)Nc2nn[n-]n2)cnn1CCC(C)C ZINC000441811507 362043729 /nfs/dbraw/zinc/04/37/29/362043729.db2.gz FWUJOXWEQRFRBL-UHFFFAOYSA-N -1 1 263.305 1.003 20 0 CDADMM Cc1c([C@@H](C)NC(=O)c2cncc([O-])c2)cnn1C ZINC000111742404 365718646 /nfs/dbraw/zinc/71/86/46/365718646.db2.gz HOWYXJRDQFLHDM-MRVPVSSYSA-N -1 1 260.297 1.320 20 0 CDADMM O=C(NCCN1CCCC1=O)c1cc2ccccc2cc1[O-] ZINC000405819731 349799730 /nfs/dbraw/zinc/79/97/30/349799730.db2.gz HFKYZFNJGFXTIL-UHFFFAOYSA-N -1 1 298.342 1.898 20 0 CDADMM Cc1c[nH]c(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)n1 ZINC000354847677 365728588 /nfs/dbraw/zinc/72/85/88/365728588.db2.gz HXUIFMOZKNRAPA-UHFFFAOYSA-N -1 1 295.302 1.925 20 0 CDADMM C[C@@]1(C(=O)Nc2nnn[n-]2)CCc2ccccc2C1 ZINC000080353919 342351759 /nfs/dbraw/zinc/35/17/59/342351759.db2.gz SMQOVARKNCUFAH-CYBMUJFWSA-N -1 1 257.297 1.333 20 0 CDADMM C[C@@]1(C(=O)Nc2nn[n-]n2)CCc2ccccc2C1 ZINC000080353919 342351760 /nfs/dbraw/zinc/35/17/60/342351760.db2.gz SMQOVARKNCUFAH-CYBMUJFWSA-N -1 1 257.297 1.333 20 0 CDADMM C[C@H](CN(C)C(=O)[C@H]1CCCCS1)c1nn[n-]n1 ZINC000330048806 362130165 /nfs/dbraw/zinc/13/01/65/362130165.db2.gz IVLPIKASFWUESF-RKDXNWHRSA-N -1 1 269.374 1.047 20 0 CDADMM O=C(CCCc1nn[n-]n1)N1CCOc2cc(F)ccc21 ZINC000635593251 362136570 /nfs/dbraw/zinc/13/65/70/362136570.db2.gz GKBWKBDIYCJSPW-UHFFFAOYSA-N -1 1 291.286 1.087 20 0 CDADMM CC(C)(NC(=O)[C@@H]1CCCc2ccccc21)c1nn[n-]n1 ZINC000095204065 342430696 /nfs/dbraw/zinc/43/06/96/342430696.db2.gz UCFUQKPAQDMHJJ-GFCCVEGCSA-N -1 1 285.351 1.671 20 0 CDADMM Cc1ccc(C(=O)NC(C)(C)c2nn[n-]n2)cc1Cl ZINC000095212923 342431063 /nfs/dbraw/zinc/43/10/63/342431063.db2.gz RCZSQLIMVIQANV-UHFFFAOYSA-N -1 1 279.731 1.827 20 0 CDADMM CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1n[nH]c(=O)[n-]1 ZINC000091626907 342406198 /nfs/dbraw/zinc/40/61/98/342406198.db2.gz JLLALSIBMDUBDK-NXEZZACHSA-N -1 1 268.361 1.124 20 0 CDADMM COC(=O)[C@H](C)CNC(=O)c1ncc2ccccc2c1[O-] ZINC000597065739 343444613 /nfs/dbraw/zinc/44/46/13/343444613.db2.gz LDXKCDKWAMEMBA-SECBINFHSA-N -1 1 288.303 1.479 20 0 CDADMM CC(C)(O)CC[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000274750817 365791435 /nfs/dbraw/zinc/79/14/35/365791435.db2.gz PSFSQFKOCIEHFT-UHFFFAOYSA-N -1 1 297.298 1.543 20 0 CDADMM C[S@@](=O)C1(CNC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000619677696 349849301 /nfs/dbraw/zinc/84/93/01/349849301.db2.gz OYYXGVOWKDDJHJ-GOSISDBHSA-N -1 1 271.313 1.172 20 0 CDADMM CCC(CC)n1nc(C(=O)Nc2nn[n-]n2)cc1C ZINC000180407356 282296153 /nfs/dbraw/zinc/29/61/53/282296153.db2.gz ZVQKNEUMUNAOOH-UHFFFAOYSA-N -1 1 263.305 1.318 20 0 CDADMM CCC[C@@H](NC(=O)c1ccnn1CCC)c1nn[n-]n1 ZINC000612062022 346995365 /nfs/dbraw/zinc/99/53/65/346995365.db2.gz RUFXSJKXOSVVBC-SECBINFHSA-N -1 1 277.332 1.077 20 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CDADMM CCOC(=O)CC(=O)[C@@H](C)Sc1ncc(C)c(=O)[n-]1 ZINC000315581460 344946682 /nfs/dbraw/zinc/94/66/82/344946682.db2.gz CKTSSUMUYUJAQU-MRVPVSSYSA-N -1 1 284.337 1.494 20 0 CDADMM CC[C@@H](CC(=O)NCc1nn[n-]n1)c1ccc(C)cc1 ZINC000606370331 344998048 /nfs/dbraw/zinc/99/80/48/344998048.db2.gz SBWWPDTUDWGRBG-NSHDSACASA-N -1 1 273.340 1.708 20 0 CDADMM CCc1cnccc1[C@@H](C)NC(=O)CCCc1nn[n-]n1 ZINC000635764460 362524598 /nfs/dbraw/zinc/52/45/98/362524598.db2.gz JCCLYBVUFQISFQ-SNVBAGLBSA-N -1 1 288.355 1.357 20 0 CDADMM Cc1ccsc1S(=O)(=O)[N-]Cc1nc(C)no1 ZINC000447864996 362535540 /nfs/dbraw/zinc/53/55/40/362535540.db2.gz UTPYGFYXNFVDKL-UHFFFAOYSA-N -1 1 273.339 1.226 20 0 CDADMM C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000617863150 345439137 /nfs/dbraw/zinc/43/91/37/345439137.db2.gz ABEBKBFLJLRVFV-RISCZKNCSA-N -1 1 291.347 1.584 20 0 CDADMM O=C(CCCc1nn[n-]n1)NCC(F)(F)c1ccccc1 ZINC000635841755 362624920 /nfs/dbraw/zinc/62/49/20/362624920.db2.gz BVJHDQDLXAGMLH-UHFFFAOYSA-N -1 1 295.293 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CDADMM CC(C)CCOCCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589606755 1173162309 /nfs/dbraw/zinc/16/23/09/1173162309.db2.gz GMTKSMKEMSCORE-UHFFFAOYSA-N -1 1 293.327 1.252 20 0 CDADMM CC(C)CCOCCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589606755 1173162312 /nfs/dbraw/zinc/16/23/12/1173162312.db2.gz GMTKSMKEMSCORE-UHFFFAOYSA-N -1 1 293.327 1.252 20 0 CDADMM C[S@@](=O)C1(CN=c2nc(C(C)(C)C)[n-]s2)CCC1 ZINC000393709567 270338355 /nfs/dbraw/zinc/33/83/55/270338355.db2.gz PTUXSUTWLRGXCM-GOSISDBHSA-N -1 1 287.454 1.971 20 0 CDADMM CC(C)OCCCOC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589747334 1173173054 /nfs/dbraw/zinc/17/30/54/1173173054.db2.gz RRBLAKQXFOZDPC-UHFFFAOYSA-N -1 1 280.284 1.432 20 0 CDADMM CC(C)OCCCOC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589747334 1173173059 /nfs/dbraw/zinc/17/30/59/1173173059.db2.gz RRBLAKQXFOZDPC-UHFFFAOYSA-N -1 1 280.284 1.432 20 0 CDADMM Cc1sc(N2CCN(C[C@H](C)O)C[C@H]2C)nc1C(=O)[O-] ZINC000517943240 260323512 /nfs/dbraw/zinc/32/35/12/260323512.db2.gz ONOIZQHKFRTMIO-BDAKNGLRSA-N -1 1 299.396 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RBDQLMIEJUYFRX-JTQLQIEISA-N -1 1 264.325 1.268 20 0 CDADMM O=C([O-])[C@]1(C(=O)N2CCN3CCC2CC3)CC=CCC1 ZINC000653285018 424359610 /nfs/dbraw/zinc/35/96/10/424359610.db2.gz AKRHWVGLSBJMJQ-OAHLLOKOSA-N -1 1 278.352 1.104 20 0 CDADMM O=C(c1cc(Br)ccc1[O-])N1CCCCN1 ZINC000400658011 424397796 /nfs/dbraw/zinc/39/77/96/424397796.db2.gz OLTLOTROVYHVMG-UHFFFAOYSA-N -1 1 285.141 1.895 20 0 CDADMM O=C([O-])C[C@@H]1COCCN1CCN1CCc2ccccc21 ZINC000652475283 424469808 /nfs/dbraw/zinc/46/98/08/424469808.db2.gz HMXAIGLGHBYLTO-CQSZACIVSA-N -1 1 290.363 1.225 20 0 CDADMM CCC(CC)(C(=O)[O-])C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000653295283 424472609 /nfs/dbraw/zinc/47/26/09/424472609.db2.gz KZFYZKONPZUJMT-SNVBAGLBSA-N -1 1 279.340 1.794 20 0 CDADMM CC1(C)CC[C@H](COC(=O)c2ccc(-c3nn[n-]n3)o2)O1 ZINC001590089700 1173252656 /nfs/dbraw/zinc/25/26/56/1173252656.db2.gz BZBWEFCCPYNVCU-MRVPVSSYSA-N -1 1 292.295 1.574 20 0 CDADMM CC1=C[C@@H](C)CN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590157031 1173275658 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CC[C@H](C)C[C@H](CO)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590405980 1173391198 /nfs/dbraw/zinc/39/11/98/1173391198.db2.gz FDGVORKCCKKSDH-WCBMZHEXSA-N -1 1 291.359 1.174 20 0 CDADMM COC(=O)c1cnc(C(=O)[N-]c2c(F)cccc2F)cn1 ZINC000355836791 277446453 /nfs/dbraw/zinc/44/64/53/277446453.db2.gz PQOVLMPPKGPBNR-UHFFFAOYSA-N -1 1 293.229 1.794 20 0 CDADMM CC(C)C[C@H](CNC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)C(=O)[O-] ZINC000127954688 279152163 /nfs/dbraw/zinc/15/21/63/279152163.db2.gz OSCNZECUQWNENO-FRRDWIJNSA-N -1 1 299.415 1.467 20 0 CDADMM O=C(Nc1[nH]nc2c1cccc2Cl)c1n[nH]c(=O)[n-]1 ZINC000089877682 279268442 /nfs/dbraw/zinc/26/84/42/279268442.db2.gz VLHNSQYCCKVVMF-UHFFFAOYSA-N -1 1 278.659 1.292 20 0 CDADMM CC[C@H](SC)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000120640870 279387772 /nfs/dbraw/zinc/38/77/72/279387772.db2.gz KUKBKUZEUBDPNA-VIFPVBQESA-N -1 1 277.353 1.947 20 0 CDADMM O=C(N[C@H](CO)Cc1ccccc1)c1ccc([O-])cc1F ZINC000120687392 279388745 /nfs/dbraw/zinc/38/87/45/279388745.db2.gz MZCICZPQFDSTGP-LBPRGKRZSA-N -1 1 289.306 1.865 20 0 CDADMM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1c([O-])cccc1F ZINC000121230063 279399231 /nfs/dbraw/zinc/39/92/31/279399231.db2.gz USWADRVHYCZFFW-DTWKUNHWSA-N -1 1 282.315 1.564 20 0 CDADMM CCC(CC)[C@@H](O)CNc1nc(-c2nn[n-]n2)ccc1C ZINC001590431461 1173408186 /nfs/dbraw/zinc/40/81/86/1173408186.db2.gz GDDPHHHOTDTMIZ-LBPRGKRZSA-N -1 1 290.371 1.779 20 0 CDADMM CCO[C@@H]1C[C@@H](NC(=O)c2cncc([O-])c2)[C@]12CCCO2 ZINC000273611602 279811502 /nfs/dbraw/zinc/81/15/02/279811502.db2.gz MAZNJBTWPBDRDI-UMVBOHGHSA-N -1 1 292.335 1.244 20 0 CDADMM CCC1(CC)CN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001590493995 1173432870 /nfs/dbraw/zinc/43/28/70/1173432870.db2.gz NDYHRQONJOGEBE-UHFFFAOYSA-N -1 1 275.312 1.722 20 0 CDADMM CCC1(CC)CN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590493995 1173432888 /nfs/dbraw/zinc/43/28/88/1173432888.db2.gz NDYHRQONJOGEBE-UHFFFAOYSA-N -1 1 275.312 1.722 20 0 CDADMM C[C@H](CN(C)C(=O)CCC1CCCC1)c1nn[n-]n1 ZINC000095243077 289062279 /nfs/dbraw/zinc/06/22/79/289062279.db2.gz MNXDJLZKYZIOPP-SNVBAGLBSA-N -1 1 265.361 1.732 20 0 CDADMM Cc1ocnc1CNC(=O)c1cc(F)ccc1[O-] ZINC000157813151 289296137 /nfs/dbraw/zinc/29/61/37/289296137.db2.gz ZEWCNVZSUWJHAX-UHFFFAOYSA-N -1 1 250.229 1.758 20 0 CDADMM NC(=O)c1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000543817914 289619055 /nfs/dbraw/zinc/61/90/55/289619055.db2.gz USGHTUDVWJFZHF-UHFFFAOYSA-N -1 1 291.694 1.792 20 0 CDADMM CCCN(CCC)S(=O)(=O)[N-]CC(C)(F)F ZINC000555407039 290217684 /nfs/dbraw/zinc/21/76/84/290217684.db2.gz LXNKECQPFUWRKV-UHFFFAOYSA-N -1 1 258.334 1.598 20 0 CDADMM Cc1o[n-]c(=N)c1S(=O)(=O)NC[C@H]1CCC[C@H]1C1CC1 ZINC000557088288 290327541 /nfs/dbraw/zinc/32/75/41/290327541.db2.gz HWXPUXIBKGPBER-MNOVXSKESA-N -1 1 299.396 1.500 20 0 CDADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1C1CC1 ZINC000557088288 290327545 /nfs/dbraw/zinc/32/75/45/290327545.db2.gz HWXPUXIBKGPBER-MNOVXSKESA-N -1 1 299.396 1.500 20 0 CDADMM COCc1nc(=N[C@H](C)COCC(F)(F)F)s[n-]1 ZINC000426532306 293328068 /nfs/dbraw/zinc/32/80/68/293328068.db2.gz KYQSHXHYCVUIBM-ZCFIWIBFSA-N -1 1 285.291 1.486 20 0 CDADMM O=c1ccc2cc(S(=O)(=O)[N-]c3cnc[nH]3)ccc2[nH]1 ZINC000564562992 293371931 /nfs/dbraw/zinc/37/19/31/293371931.db2.gz STUJVMXFHVBFCJ-UHFFFAOYSA-N -1 1 290.304 1.052 20 0 CDADMM CCC[C@@H](O)CCCSc1cc(-c2nnn[n-]2)ncn1 ZINC001590561500 1173463257 /nfs/dbraw/zinc/46/32/57/1173463257.db2.gz ZUSQMJKEZYBJFC-SECBINFHSA-N -1 1 294.384 1.690 20 0 CDADMM CCC[C@@H](O)CCCSc1cc(-c2nn[n-]n2)ncn1 ZINC001590561500 1173463261 /nfs/dbraw/zinc/46/32/61/1173463261.db2.gz ZUSQMJKEZYBJFC-SECBINFHSA-N -1 1 294.384 1.690 20 0 CDADMM CCC[C@@H](OC)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001590560337 1173464480 /nfs/dbraw/zinc/46/44/80/1173464480.db2.gz BSHPGIBCPRSQHG-MRVPVSSYSA-N -1 1 297.340 1.182 20 0 CDADMM CCC[C@@H](OC)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001590560337 1173464485 /nfs/dbraw/zinc/46/44/85/1173464485.db2.gz BSHPGIBCPRSQHG-MRVPVSSYSA-N -1 1 297.340 1.182 20 0 CDADMM Cn1[n-]c(CN2CCc3c4ccccc4[nH]c3C2)nc1=O ZINC000329678053 294129859 /nfs/dbraw/zinc/12/98/59/294129859.db2.gz QDHWLUDHWIIBRG-UHFFFAOYSA-N -1 1 283.335 1.148 20 0 CDADMM CO[C@H]1C[C@H](NC(=O)c2cncc([O-])c2)C12CCC2 ZINC000458159856 294671324 /nfs/dbraw/zinc/67/13/24/294671324.db2.gz FXJNHQFTFOFVGC-RYUDHWBXSA-N -1 1 262.309 1.475 20 0 CDADMM COC[C@H](CCNc1nc(-c2nn[n-]n2)ccc1C)OC ZINC001591376623 1173637240 /nfs/dbraw/zinc/63/72/40/1173637240.db2.gz VKYYEVRPAPTHID-JTQLQIEISA-N -1 1 292.343 1.034 20 0 CDADMM CSCCCCNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591700090 1173688796 /nfs/dbraw/zinc/68/87/96/1173688796.db2.gz ZJVMLSGKBRYGQL-UHFFFAOYSA-N -1 1 292.368 1.135 20 0 CDADMM CSCCCCNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591700090 1173688800 /nfs/dbraw/zinc/68/88/00/1173688800.db2.gz ZJVMLSGKBRYGQL-UHFFFAOYSA-N -1 1 292.368 1.135 20 0 CDADMM CSCCONC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591701254 1173689299 /nfs/dbraw/zinc/68/92/99/1173689299.db2.gz JGZGZTMASXRTJY-UHFFFAOYSA-N -1 1 297.315 1.030 20 0 CDADMM CSCCONC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591701254 1173689304 /nfs/dbraw/zinc/68/93/04/1173689304.db2.gz JGZGZTMASXRTJY-UHFFFAOYSA-N -1 1 297.315 1.030 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC3(CCC3)C2)n1 ZINC001591886966 1173740044 /nfs/dbraw/zinc/74/00/44/1173740044.db2.gz QYNVTGFIMGUIRR-UHFFFAOYSA-N -1 1 271.328 1.346 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC3(CCC3)C2)n1 ZINC001591886966 1173740050 /nfs/dbraw/zinc/74/00/50/1173740050.db2.gz QYNVTGFIMGUIRR-UHFFFAOYSA-N -1 1 271.328 1.346 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)c2ccc[nH]2)n1 ZINC001591890553 1173741211 /nfs/dbraw/zinc/74/12/11/1173741211.db2.gz AYRXGEHPZLDZKC-QMMMGPOBSA-N -1 1 270.300 1.466 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)c2ccc[nH]2)n1 ZINC001591890553 1173741216 /nfs/dbraw/zinc/74/12/16/1173741216.db2.gz AYRXGEHPZLDZKC-QMMMGPOBSA-N -1 1 270.300 1.466 20 0 CDADMM CC[C@H](C)NC(=O)[C@@H](C)Sc1ncc(C)c(=O)[n-]1 ZINC000563439633 316310545 /nfs/dbraw/zinc/31/05/45/316310545.db2.gz NQSILUXVNCIFTB-DTWKUNHWSA-N -1 1 269.370 1.886 20 0 CDADMM Cc1cc2c[nH]nc2c(C(=O)N(C)[C@@H](C)CC(=O)[O-])c1 ZINC000563899366 316394505 /nfs/dbraw/zinc/39/45/05/316394505.db2.gz UWEYJLMRBCEOFJ-VIFPVBQESA-N -1 1 275.308 1.807 20 0 CDADMM O=S(=O)([N-]C[C@@H](O)C1CC1)c1nc2ccccc2s1 ZINC000566675447 316655054 /nfs/dbraw/zinc/65/50/54/316655054.db2.gz OBTYFDGMFJDKES-SNVBAGLBSA-N -1 1 298.389 1.346 20 0 CDADMM CO[C@@H]1C[C@H](C(=O)[O-])N(CCOc2cc(C)ccc2C)C1 ZINC000576233949 317102276 /nfs/dbraw/zinc/10/22/76/317102276.db2.gz OMWYGLHHHAGXCC-ZIAGYGMSSA-N -1 1 293.363 1.856 20 0 CDADMM C[C@H](C(=O)[O-])N(Cc1n[nH]c(C(C)(C)C)n1)C1CCC1 ZINC000576838672 317218215 /nfs/dbraw/zinc/21/82/15/317218215.db2.gz RGIVLAPQEFSQHH-SECBINFHSA-N -1 1 280.372 1.930 20 0 CDADMM CCCn1c(C)nnc1CN1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000576997995 317246550 /nfs/dbraw/zinc/24/65/50/317246550.db2.gz AGNSWWVLHBKCTI-HNNXBMFYSA-N -1 1 294.399 1.929 20 0 CDADMM Cn1ncc(CN2CC[C@](C)(C(=O)[O-])C2)c1C(F)(F)F ZINC000577226109 317291066 /nfs/dbraw/zinc/29/10/66/317291066.db2.gz KNNSQBWGGRZATJ-NSHDSACASA-N -1 1 291.273 1.736 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC(C)(C)[C@@H]2C(C)C)n1 ZINC001592337099 1173858388 /nfs/dbraw/zinc/85/83/88/1173858388.db2.gz AZQQKIFYTCWWGH-LBPRGKRZSA-N -1 1 287.371 1.836 20 0 CDADMM COC(=O)c1csc([N-]C(=O)c2cc(OC)no2)c1 ZINC000184056520 323353387 /nfs/dbraw/zinc/35/33/87/323353387.db2.gz XMSJMPSINXROAN-UHFFFAOYSA-N -1 1 282.277 1.784 20 0 CDADMM CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)[C@@H](C)O ZINC000386936793 323754690 /nfs/dbraw/zinc/75/46/90/323754690.db2.gz UWHXXNBXKNRSPN-SVRRBLITSA-N -1 1 297.298 1.542 20 0 CDADMM CO[C@H]1C[C@H](C(=O)[O-])N(CCOC2CCCCCC2)C1 ZINC000579720875 324265292 /nfs/dbraw/zinc/26/52/92/324265292.db2.gz RMZCDASRJKTOSP-UONOGXRCSA-N -1 1 285.384 1.900 20 0 CDADMM Cc1nsc(NC(=O)C=C2CCC2)c1-c1nnn[n-]1 ZINC001592479293 1173900222 /nfs/dbraw/zinc/90/02/22/1173900222.db2.gz LKLKBWHDMBKDAI-UHFFFAOYSA-N -1 1 276.325 1.680 20 0 CDADMM Cc1nsc(NC(=O)C=C2CCC2)c1-c1nn[n-]n1 ZINC001592479293 1173900229 /nfs/dbraw/zinc/90/02/29/1173900229.db2.gz LKLKBWHDMBKDAI-UHFFFAOYSA-N -1 1 276.325 1.680 20 0 CDADMM Cc1nsc(NCCc2ccoc2)c1-c1nn[n-]n1 ZINC001592491118 1173901321 /nfs/dbraw/zinc/90/13/21/1173901321.db2.gz DWLOLGRLJCUCAN-UHFFFAOYSA-N -1 1 276.325 1.879 20 0 CDADMM Cc1nsc(NC2C[C@H](C)O[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001592483378 1173901702 /nfs/dbraw/zinc/90/17/02/1173901702.db2.gz MBDTXLFBHVMTJX-BQBZGAKWSA-N -1 1 294.384 2.000 20 0 CDADMM Cc1nsc(N[C@@H](C)C[C@H](C)O)c1-c1nn[n-]n1 ZINC001592482522 1173902951 /nfs/dbraw/zinc/90/29/51/1173902951.db2.gz OXHCAGPIMBXXAS-WDSKDSINSA-N -1 1 268.346 1.203 20 0 CDADMM CCCCCC(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H](C)C1 ZINC001755104064 1159525619 /nfs/dbraw/zinc/52/56/19/1159525619.db2.gz XPMGFVQUNNEKEH-QWRGUYRKSA-N -1 1 295.387 1.027 20 0 CDADMM C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000379940348 1159761244 /nfs/dbraw/zinc/76/12/44/1159761244.db2.gz XEAWLSURJSXVAI-UHFFFAOYSA-N -1 1 281.692 1.174 20 0 CDADMM Cc1ccc(N)cc1NC(=N)SCCS(=O)(=O)[O-] ZINC001168091002 1160371722 /nfs/dbraw/zinc/37/17/22/1160371722.db2.gz TVVQGVDLXDMCMC-UHFFFAOYSA-N -1 1 289.382 1.545 20 0 CDADMM CCC[C@@H](NC(=O)C1CCC(OC)CC1)c1nn[n-]n1 ZINC000672845218 482622467 /nfs/dbraw/zinc/62/24/67/482622467.db2.gz BJZUHIZHQYCBHW-VQXHTEKXSA-N -1 1 281.360 1.362 20 0 CDADMM COC1CCC(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)CC1 ZINC000672903736 482636413 /nfs/dbraw/zinc/63/64/13/482636413.db2.gz YEQCGDVHDIRHOX-CXQJBGSLSA-N -1 1 293.371 1.111 20 0 CDADMM Cc1cc(=O)[nH]c([C@@H](C)[N@H+](C)C[C@H](O)C2CC2)n1 ZINC000684093477 482645027 /nfs/dbraw/zinc/64/50/27/482645027.db2.gz VYJLMYBFSHMDHX-KOLCDFICSA-N -1 1 251.330 1.254 20 0 CDADMM C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000672998519 482656757 /nfs/dbraw/zinc/65/67/57/482656757.db2.gz YVKUCWPGWVSYKP-MNOVXSKESA-N -1 1 277.320 1.506 20 0 CDADMM CCC1(O)CCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681049763 482671480 /nfs/dbraw/zinc/67/14/80/482671480.db2.gz HBBMKGCGWQYBHD-UHFFFAOYSA-N -1 1 267.300 1.908 20 0 CDADMM CC[C@H](CCO)CNC(=O)c1ccc([O-])c(F)c1 ZINC000681054092 482673397 /nfs/dbraw/zinc/67/33/97/482673397.db2.gz HJRWXNAQEUJRTP-SECBINFHSA-N -1 1 255.289 1.670 20 0 CDADMM O=C(NC[C@@H](O)C1CCOCC1)c1ccc([O-])c(F)c1 ZINC000681055880 482675329 /nfs/dbraw/zinc/67/53/29/482675329.db2.gz HAGDFOVKTAEVCW-CYBMUJFWSA-N -1 1 283.299 1.049 20 0 CDADMM O=C(NCCOc1ncccc1F)c1ccc([O-])c(F)c1 ZINC000681058896 482676614 /nfs/dbraw/zinc/67/66/14/482676614.db2.gz UKHSSHVGDTXCPI-UHFFFAOYSA-N -1 1 294.257 1.874 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2cncnc2N2CCCC2)c1[O-] ZINC000680638208 482726787 /nfs/dbraw/zinc/72/67/87/482726787.db2.gz RNGQRCZZNHLEOU-UHFFFAOYSA-N -1 1 288.311 1.066 20 0 CDADMM O=C(NC[C@H]1CCCNC1=O)c1ccc2ccccc2c1[O-] ZINC000673423142 482738224 /nfs/dbraw/zinc/73/82/24/482738224.db2.gz PGZULWMSCLAPNT-GFCCVEGCSA-N -1 1 298.342 1.801 20 0 CDADMM Cc1n[nH]c(C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c1[O-] ZINC000677843536 482803750 /nfs/dbraw/zinc/80/37/50/482803750.db2.gz XFZBCDHFHRAIJJ-SSDOTTSWSA-N -1 1 278.316 1.156 20 0 CDADMM Cc1nc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)n[nH]1 ZINC000312600276 482842541 /nfs/dbraw/zinc/84/25/41/482842541.db2.gz YEWVDLOUAQDMNM-GFCCVEGCSA-N -1 1 272.308 1.297 20 0 CDADMM CC(C)CN1CCN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000087505351 482869376 /nfs/dbraw/zinc/86/93/76/482869376.db2.gz YQGYNSVESZRTSC-CYBMUJFWSA-N -1 1 299.415 1.326 20 0 CDADMM CC[C@]1(NC(=O)c2ccc([O-])c(F)c2)CCOC1 ZINC000682977952 482985520 /nfs/dbraw/zinc/98/55/20/482985520.db2.gz OWQYGKGGNBRPCS-ZDUSSCGKSA-N -1 1 253.273 1.830 20 0 CDADMM CCN(CC)C(=O)CCCNC(=O)c1ccc([O-])c(F)c1 ZINC000681018963 483049596 /nfs/dbraw/zinc/04/95/96/483049596.db2.gz AUQHDYFGOKUJTK-UHFFFAOYSA-N -1 1 296.342 1.910 20 0 CDADMM O=C(c1ncccc1[O-])N(CCO)CCc1ccccc1 ZINC000681742649 483054459 /nfs/dbraw/zinc/05/44/59/483054459.db2.gz LJUPYAJILWMGGT-UHFFFAOYSA-N -1 1 286.331 1.464 20 0 CDADMM CSc1nc(C)c(CCC(=O)N2CC=CCC2)c(=O)[n-]1 ZINC000679298381 483329673 /nfs/dbraw/zinc/32/96/73/483329673.db2.gz CMZDEJIYNJGSEH-UHFFFAOYSA-N -1 1 293.392 1.934 20 0 CDADMM CC[C@H](C)c1nc([C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])n[nH]1 ZINC000683122041 483423344 /nfs/dbraw/zinc/42/33/44/483423344.db2.gz SWVQLPKWGJJAID-POYBYMJQSA-N -1 1 292.343 1.546 20 0 CDADMM CCCCc1cc(NC(=O)c2n[nH]c(C)c2[O-])n[nH]1 ZINC000676632706 483545793 /nfs/dbraw/zinc/54/57/93/483545793.db2.gz VLDQLZIRSRXBBL-UHFFFAOYSA-N -1 1 263.301 1.742 20 0 CDADMM Cc1ccc(-c2cc(NC(=O)c3n[nH]c(C)c3[O-])[nH]n2)o1 ZINC000683703663 483615967 /nfs/dbraw/zinc/61/59/67/483615967.db2.gz JGOPOXMFPFIQSN-UHFFFAOYSA-N -1 1 287.279 1.968 20 0 CDADMM COc1cc(CCC(=O)Nc2nnn[n-]2)ccc1Cl ZINC000155369300 533756325 /nfs/dbraw/zinc/75/63/25/533756325.db2.gz AAZLARVDQYTXRR-UHFFFAOYSA-N -1 1 281.703 1.433 20 0 CDADMM COc1cc(CCC(=O)Nc2nn[n-]n2)ccc1Cl ZINC000155369300 533756331 /nfs/dbraw/zinc/75/63/31/533756331.db2.gz AAZLARVDQYTXRR-UHFFFAOYSA-N -1 1 281.703 1.433 20 0 CDADMM CCO[C@H]1C[C@H]1C(=O)NCCc1n[n-]c(=S)n1CC ZINC000067077880 520582529 /nfs/dbraw/zinc/58/25/29/520582529.db2.gz RVBMOMYRDLWLQV-BDAKNGLRSA-N -1 1 284.385 1.044 20 0 CDADMM CCc1cccc(NC(=O)CNC(=O)c2cncc([O-])c2)c1 ZINC000111589858 521752327 /nfs/dbraw/zinc/75/23/27/521752327.db2.gz KZSZKZWALXQEDU-UHFFFAOYSA-N -1 1 299.330 1.718 20 0 CDADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@H]2CC2(C)C)c1 ZINC000338215239 522377185 /nfs/dbraw/zinc/37/71/85/522377185.db2.gz UNSUNUZUWKYFQL-SECBINFHSA-N -1 1 287.337 1.391 20 0 CDADMM CO[C@@H](C)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000338722527 523401799 /nfs/dbraw/zinc/40/17/99/523401799.db2.gz CQDUEOWOGUDYIF-ZETCQYMHSA-N -1 1 297.298 1.807 20 0 CDADMM COC(=O)[C@@H](C)CC(=O)Nc1ccc(F)cc1[O-] ZINC000340327342 523491654 /nfs/dbraw/zinc/49/16/54/523491654.db2.gz GTVJNMVIVNMXGT-ZETCQYMHSA-N -1 1 255.245 1.669 20 0 CDADMM CCn1ccnc1CN1CCCC[C@@H]1CC(=O)[O-] ZINC000054743785 523529095 /nfs/dbraw/zinc/52/90/95/523529095.db2.gz SSKYPABQTPMBKN-LLVKDONJSA-N -1 1 251.330 1.732 20 0 CDADMM COc1ccc(CS(=O)(=O)c2ccc([O-])cc2)nn1 ZINC000337895692 524122360 /nfs/dbraw/zinc/12/23/60/524122360.db2.gz LERXMFQMAZAGKG-UHFFFAOYSA-N -1 1 280.305 1.165 20 0 CDADMM Cc1c(CNCc2cccc(C(=O)[O-])c2)cnn1C ZINC000226267245 525724379 /nfs/dbraw/zinc/72/43/79/525724379.db2.gz INAKQALMNPRRFC-UHFFFAOYSA-N -1 1 259.309 1.717 20 0 CDADMM O=C(c1cc(F)ccc1[O-])N1CCO[C@H](c2ncon2)C1 ZINC000363775521 526623369 /nfs/dbraw/zinc/62/33/69/526623369.db2.gz HCOIAKLMCJQGON-NSHDSACASA-N -1 1 293.254 1.128 20 0 CDADMM O=S(=O)([N-]CC1CC1)c1ccc(Br)o1 ZINC000334490438 527213921 /nfs/dbraw/zinc/21/39/21/527213921.db2.gz MEQJJIPSCUMESE-UHFFFAOYSA-N -1 1 280.143 1.730 20 0 CDADMM O=C([O-])CN1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000052944255 527609748 /nfs/dbraw/zinc/60/97/48/527609748.db2.gz HPHMUMGLJDVQEX-UHFFFAOYSA-N -1 1 296.754 1.111 20 0 CDADMM CCC[C@H](O)CNC(=O)c1ccc(Cl)cc1[O-] ZINC000157696795 528258036 /nfs/dbraw/zinc/25/80/36/528258036.db2.gz GKDLLGXVWCWQRP-VIFPVBQESA-N -1 1 257.717 1.936 20 0 CDADMM CO[C@@H](C)CC[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000263776903 536872902 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291.311 1.234 20 0 CDADMM CC(C)OCCCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735904936 575528888 /nfs/dbraw/zinc/52/88/88/575528888.db2.gz XIJVIDPBKMWCAN-UHFFFAOYSA-N -1 1 291.311 1.234 20 0 CDADMM CC(C)Oc1ccc(Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000735915966 575534351 /nfs/dbraw/zinc/53/43/51/575534351.db2.gz WQSKDYZVVGMTMG-UHFFFAOYSA-N -1 1 285.311 1.294 20 0 CDADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](CO)C1CC1 ZINC000771051370 575539966 /nfs/dbraw/zinc/53/99/66/575539966.db2.gz DVWRDIGRXYMCML-JTQLQIEISA-N -1 1 293.367 1.289 20 0 CDADMM C[C@@H](CC(=O)OCc1nn[n-]n1)c1ccccc1F ZINC000735977508 575545255 /nfs/dbraw/zinc/54/52/55/575545255.db2.gz PHVWLYDTSSEFQE-QMMMGPOBSA-N -1 1 264.260 1.576 20 0 CDADMM C[C@@H](Cc1ccsc1)Nc1nccnc1-c1nnn[n-]1 ZINC000736067422 575560303 /nfs/dbraw/zinc/56/03/03/575560303.db2.gz XJKSCVIDWVUVJY-QMMMGPOBSA-N -1 1 287.352 1.761 20 0 CDADMM C[C@@H](Cc1ccsc1)Nc1nccnc1-c1nn[n-]n1 ZINC000736067422 575560306 /nfs/dbraw/zinc/56/03/06/575560306.db2.gz XJKSCVIDWVUVJY-QMMMGPOBSA-N 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YCARKGGPIMPALY-NSHDSACASA-N -1 1 267.325 1.389 20 0 CDADMM CC[C@@H](C)[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833639687 605720658 /nfs/dbraw/zinc/72/06/58/605720658.db2.gz XHPIWONVPRLPNL-KKZNHRDASA-N -1 1 267.329 1.204 20 0 CDADMM CNC(=O)[C@H](NCc1cc(C(=O)[O-])ccc1F)C(C)C ZINC000833699053 605845515 /nfs/dbraw/zinc/84/55/15/605845515.db2.gz DMCKOWJXIPRNAI-GFCCVEGCSA-N -1 1 282.315 1.384 20 0 CDADMM C[C@H](C(=O)[O-])N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000819895550 605854536 /nfs/dbraw/zinc/85/45/36/605854536.db2.gz MOLQJOUAHNBVIC-SNVBAGLBSA-N -1 1 289.310 1.843 20 0 CDADMM CCOC(=O)[C@H](CC)Sc1nccnc1-c1nn[n-]n1 ZINC000821320109 606138691 /nfs/dbraw/zinc/13/86/91/606138691.db2.gz KMIAUFLPLGOFKD-ZETCQYMHSA-N -1 1 294.340 1.091 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1=COCCC1 ZINC000823290026 606298264 /nfs/dbraw/zinc/29/82/64/606298264.db2.gz RTTFDQFOLYBNMV-UHFFFAOYSA-N -1 1 287.279 1.205 20 0 CDADMM COC[C@@H]1CCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821684550 606425450 /nfs/dbraw/zinc/42/54/50/606425450.db2.gz CWPCDEYSTCJWET-QMMMGPOBSA-N -1 1 294.746 1.530 20 0 CDADMM COC[C@@H]1CCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821684550 606425452 /nfs/dbraw/zinc/42/54/52/606425452.db2.gz CWPCDEYSTCJWET-QMMMGPOBSA-N -1 1 294.746 1.530 20 0 CDADMM Cn1ccnc1Sc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822699027 606439515 /nfs/dbraw/zinc/43/95/15/606439515.db2.gz LUFPAAOEUFZGMD-UHFFFAOYSA-N -1 1 293.743 1.800 20 0 CDADMM Cn1ccnc1Sc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822699027 606439516 /nfs/dbraw/zinc/43/95/16/606439516.db2.gz LUFPAAOEUFZGMD-UHFFFAOYSA-N -1 1 293.743 1.800 20 0 CDADMM Cc1nc(CNc2cccc(-c3nnn[n-]3)n2)cs1 ZINC000095334418 606456245 /nfs/dbraw/zinc/45/62/45/606456245.db2.gz SQKYADMZTPBUFO-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1nc(CNc2cccc(-c3nn[n-]n3)n2)cs1 ZINC000095334418 606456246 /nfs/dbraw/zinc/45/62/46/606456246.db2.gz SQKYADMZTPBUFO-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000823436512 606517654 /nfs/dbraw/zinc/51/76/54/606517654.db2.gz ZADLSHSBSMKRBQ-UHFFFAOYSA-N -1 1 273.296 1.495 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000823436512 606517652 /nfs/dbraw/zinc/51/76/52/606517652.db2.gz ZADLSHSBSMKRBQ-UHFFFAOYSA-N -1 1 273.296 1.495 20 0 CDADMM CCOCCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821378435 606518425 /nfs/dbraw/zinc/51/84/25/606518425.db2.gz ODCHHTWMPQESRK-UHFFFAOYSA-N -1 1 281.341 1.085 20 0 CDADMM CCOCCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821378435 606518426 /nfs/dbraw/zinc/51/84/26/606518426.db2.gz ODCHHTWMPQESRK-UHFFFAOYSA-N -1 1 281.341 1.085 20 0 CDADMM C[C@H]1CCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820696531 606551815 /nfs/dbraw/zinc/55/18/15/606551815.db2.gz AOJJWCOSWPJINN-JGVFFNPUSA-N -1 1 277.353 1.847 20 0 CDADMM C[C@H]1CCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820696531 606551817 /nfs/dbraw/zinc/55/18/17/606551817.db2.gz AOJJWCOSWPJINN-JGVFFNPUSA-N -1 1 277.353 1.847 20 0 CDADMM CSCCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821962423 606566789 /nfs/dbraw/zinc/56/67/89/606566789.db2.gz PROUPHDRVSQOBB-UHFFFAOYSA-N -1 1 283.382 1.411 20 0 CDADMM CSCCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821962423 606566790 /nfs/dbraw/zinc/56/67/90/606566790.db2.gz PROUPHDRVSQOBB-UHFFFAOYSA-N -1 1 283.382 1.411 20 0 CDADMM Cc1ccc(C)c(Cn2ccnc2-c2nnn[n-]2)c1 ZINC000822231965 606654898 /nfs/dbraw/zinc/65/48/98/606654898.db2.gz ONQOZNYDDWCWDX-UHFFFAOYSA-N -1 1 254.297 1.728 20 0 CDADMM Cc1ccc(C)c(Cn2ccnc2-c2nn[n-]n2)c1 ZINC000822231965 606654899 /nfs/dbraw/zinc/65/48/99/606654899.db2.gz ONQOZNYDDWCWDX-UHFFFAOYSA-N -1 1 254.297 1.728 20 0 CDADMM Fc1ccc(Cn2ccnc2-c2nnn[n-]2)cc1F ZINC000822775666 606655415 /nfs/dbraw/zinc/65/54/15/606655415.db2.gz ZBEDMTQZWUELFO-UHFFFAOYSA-N -1 1 262.223 1.390 20 0 CDADMM Fc1ccc(Cn2ccnc2-c2nn[n-]n2)cc1F ZINC000822775666 606655416 /nfs/dbraw/zinc/65/54/16/606655416.db2.gz ZBEDMTQZWUELFO-UHFFFAOYSA-N -1 1 262.223 1.390 20 0 CDADMM O=C(O[C@@H]1CCCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823393556 606765318 /nfs/dbraw/zinc/76/53/18/606765318.db2.gz ZMVRSOLSQRTNIC-SSDOTTSWSA-N -1 1 280.309 1.264 20 0 CDADMM O=C(O[C@@H]1CCCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823393556 606765320 /nfs/dbraw/zinc/76/53/20/606765320.db2.gz ZMVRSOLSQRTNIC-SSDOTTSWSA-N -1 1 280.309 1.264 20 0 CDADMM C[C@]1(COC(=O)c2ccc(-c3nnn[n-]3)s2)CCCO1 ZINC000820623371 606898834 /nfs/dbraw/zinc/89/88/34/606898834.db2.gz NRPPDOGSQUPWFE-GFCCVEGCSA-N -1 1 294.336 1.654 20 0 CDADMM C[C@]1(COC(=O)c2ccc(-c3nn[n-]n3)s2)CCCO1 ZINC000820623371 606898837 /nfs/dbraw/zinc/89/88/37/606898837.db2.gz NRPPDOGSQUPWFE-GFCCVEGCSA-N -1 1 294.336 1.654 20 0 CDADMM CC(C)CC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000095149347 607025016 /nfs/dbraw/zinc/02/50/16/607025016.db2.gz XKLNTGXLAOMBRQ-UHFFFAOYSA-N -1 1 252.303 1.308 20 0 CDADMM CC(C)CC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000095149347 607025017 /nfs/dbraw/zinc/02/50/17/607025017.db2.gz XKLNTGXLAOMBRQ-UHFFFAOYSA-N -1 1 252.303 1.308 20 0 CDADMM O=C(OC[C@H]1CCCOC1)c1sccc1-c1nn[n-]n1 ZINC000823397334 607082262 /nfs/dbraw/zinc/08/22/62/607082262.db2.gz VIUWWQXAKXEXLE-QMMMGPOBSA-N -1 1 294.336 1.512 20 0 CDADMM Fc1cccc(OCc2ccno2)c1-c1nnn[n-]1 ZINC000826377655 607863845 /nfs/dbraw/zinc/86/38/45/607863845.db2.gz AAUMHQQGSJAJOY-UHFFFAOYSA-N -1 1 261.216 1.573 20 0 CDADMM Fc1cccc(OCc2ccno2)c1-c1nn[n-]n1 ZINC000826377655 607863846 /nfs/dbraw/zinc/86/38/46/607863846.db2.gz AAUMHQQGSJAJOY-UHFFFAOYSA-N -1 1 261.216 1.573 20 0 CDADMM CN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825980539 607987181 /nfs/dbraw/zinc/98/71/81/607987181.db2.gz DMRYGEHGCJOJQY-UHFFFAOYSA-N -1 1 267.296 1.293 20 0 CDADMM CN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825980539 607987182 /nfs/dbraw/zinc/98/71/82/607987182.db2.gz DMRYGEHGCJOJQY-UHFFFAOYSA-N -1 1 267.296 1.293 20 0 CDADMM Clc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826351785 607987384 /nfs/dbraw/zinc/98/73/84/607987384.db2.gz AJKFQZJYFQDZBK-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM Clc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826351785 607987385 /nfs/dbraw/zinc/98/73/85/607987385.db2.gz AJKFQZJYFQDZBK-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM COCC(C)(C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826147685 607999257 /nfs/dbraw/zinc/99/92/57/607999257.db2.gz HYEJPQSPBPKBIQ-UHFFFAOYSA-N -1 1 291.311 1.183 20 0 CDADMM c1cn(Cc2ccn(-c3ccccc3)n2)c(-c2nnn[n-]2)n1 ZINC000826519649 608013122 /nfs/dbraw/zinc/01/31/22/608013122.db2.gz HZNDBSXHFIRXPU-UHFFFAOYSA-N -1 1 292.306 1.297 20 0 CDADMM c1cn(Cc2ccn(-c3ccccc3)n2)c(-c2nn[n-]n2)n1 ZINC000826519649 608013123 /nfs/dbraw/zinc/01/31/23/608013123.db2.gz HZNDBSXHFIRXPU-UHFFFAOYSA-N -1 1 292.306 1.297 20 0 CDADMM CCn1c(C)cc(C(=O)Cn2ccnc2-c2nnn[n-]2)c1C ZINC000825782898 608013464 /nfs/dbraw/zinc/01/34/64/608013464.db2.gz UKJRHUHUTFGKBC-UHFFFAOYSA-N -1 1 299.338 1.384 20 0 CDADMM CCn1c(C)cc(C(=O)Cn2ccnc2-c2nn[n-]n2)c1C ZINC000825782898 608013465 /nfs/dbraw/zinc/01/34/65/608013465.db2.gz UKJRHUHUTFGKBC-UHFFFAOYSA-N -1 1 299.338 1.384 20 0 CDADMM CSC[C@](C)(O)CNc1nc(-c2nn[n-]n2)ccc1C ZINC000826227354 608544474 /nfs/dbraw/zinc/54/44/74/608544474.db2.gz PNXVRDJDVOEAPA-GFCCVEGCSA-N -1 1 294.384 1.096 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCCOc1cccnc1 ZINC000826280694 608544715 /nfs/dbraw/zinc/54/47/15/608544715.db2.gz MKZDLYFPVBFRGR-UHFFFAOYSA-N -1 1 297.322 1.456 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CN1CCOC2(CCC2)C1 ZINC000826514998 608725812 /nfs/dbraw/zinc/72/58/12/608725812.db2.gz JKWDDKPLMFKBLU-UHFFFAOYSA-N -1 1 275.312 1.215 20 0 CDADMM c1cn(CCc2ccc3c(c2)CCO3)c(-c2nnn[n-]2)n1 ZINC000826524624 608893765 /nfs/dbraw/zinc/89/37/65/608893765.db2.gz CDGCOULZBXZYKZ-UHFFFAOYSA-N -1 1 282.307 1.241 20 0 CDADMM c1cn(CCc2ccc3c(c2)CCO3)c(-c2nn[n-]n2)n1 ZINC000826524624 608893767 /nfs/dbraw/zinc/89/37/67/608893767.db2.gz CDGCOULZBXZYKZ-UHFFFAOYSA-N -1 1 282.307 1.241 20 0 CDADMM COC1(CNC(=O)c2ccc(-c3nnn[n-]3)s2)CCC1 ZINC000826143848 609592129 /nfs/dbraw/zinc/59/21/29/609592129.db2.gz RYSIZUMTNBBXSI-UHFFFAOYSA-N -1 1 293.352 1.227 20 0 CDADMM COC1(CNC(=O)c2ccc(-c3nn[n-]n3)s2)CCC1 ZINC000826143848 609592131 /nfs/dbraw/zinc/59/21/31/609592131.db2.gz RYSIZUMTNBBXSI-UHFFFAOYSA-N -1 1 293.352 1.227 20 0 CDADMM CC(C)(C)N1C[C@@H](C(=O)[N-]OC/C=C\Cl)CC1=O ZINC000812404484 617304153 /nfs/dbraw/zinc/30/41/53/617304153.db2.gz DWBTVVGQXPIZGJ-WBSSQXGSSA-N -1 1 274.748 1.434 20 0 CDADMM CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)[N-]OC1CCC1 ZINC000812796734 617336680 /nfs/dbraw/zinc/33/66/80/617336680.db2.gz YFUGYGJGGGKWBL-QMMMGPOBSA-N -1 1 282.262 1.290 20 0 CDADMM CCNC(=O)[C@H](C)[N-]c1nnc(Cc2ccccc2)o1 ZINC000891572838 617484169 /nfs/dbraw/zinc/48/41/69/617484169.db2.gz YQXONKJAYYIJIZ-JTQLQIEISA-N -1 1 274.324 1.597 20 0 CDADMM CC1(C)CC[C@H](C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)O1 ZINC000891617235 617506329 /nfs/dbraw/zinc/50/63/29/617506329.db2.gz FCTDJJGZFOHOBQ-LLVKDONJSA-N -1 1 291.351 1.957 20 0 CDADMM Cc1ccc(CC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cn1 ZINC000891624573 617511133 /nfs/dbraw/zinc/51/11/33/617511133.db2.gz RVVICEVNKXWXJR-UHFFFAOYSA-N -1 1 298.346 1.946 20 0 CDADMM COCc1nc(N[C@H]2CCC[C@@H]2CCO)cc(=O)[n-]1 ZINC000893282106 617515121 /nfs/dbraw/zinc/51/51/21/617515121.db2.gz IMGOQAODSDPOPV-ZJUUUORDSA-N -1 1 267.329 1.292 20 0 CDADMM COCc1nc(N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc(=O)[n-]1 ZINC000892675415 617582225 /nfs/dbraw/zinc/58/22/25/617582225.db2.gz BCUSARVFROMNMB-OWYVNGRQSA-N -1 1 293.367 1.944 20 0 CDADMM COCc1nc(N2CCS[C@@H](C(C)C)C2)cc(=O)[n-]1 ZINC000892732507 617678576 /nfs/dbraw/zinc/67/85/76/617678576.db2.gz RKGCOGVSYGVEIL-SNVBAGLBSA-N -1 1 283.397 1.906 20 0 CDADMM O=C(c1ccc(Br)cc1[O-])N1CC[C@@H]1CO ZINC000889146122 617805741 /nfs/dbraw/zinc/80/57/41/617805741.db2.gz RDAWHAWTEQVUIL-MRVPVSSYSA-N -1 1 286.125 1.362 20 0 CDADMM COCc1nc(NC[C@H](C)Cn2cccn2)cc(=O)[n-]1 ZINC000891863378 617680909 /nfs/dbraw/zinc/68/09/09/617680909.db2.gz WDOWRRSLWVXMKX-JTQLQIEISA-N -1 1 277.328 1.273 20 0 CDADMM COCc1nc(NCC2(CCO)CCCC2)cc(=O)[n-]1 ZINC000892755462 617708432 /nfs/dbraw/zinc/70/84/32/617708432.db2.gz KLHIPGQBPLCFJJ-UHFFFAOYSA-N -1 1 281.356 1.683 20 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CCN1C[C@@H](N[C@H](C)c2cncc(C(=O)[O-])c2)CC1=O ZINC001605469834 1163573440 /nfs/dbraw/zinc/57/34/40/1163573440.db2.gz NDBMCATYPGZWHF-SKDRFNHKSA-N -1 1 277.324 1.051 20 0 CDADMM Cc1c(-c2nnn[n-]2)c(NC(=O)C[C@@H]2C=CCC2)nn1C ZINC001605465206 1163573593 /nfs/dbraw/zinc/57/35/93/1163573593.db2.gz HHCMOHOIYQNJHV-SECBINFHSA-N -1 1 287.327 1.203 20 0 CDADMM Cc1c(-c2nn[n-]n2)c(NC(=O)C[C@@H]2C=CCC2)nn1C ZINC001605465206 1163573600 /nfs/dbraw/zinc/57/36/00/1163573600.db2.gz HHCMOHOIYQNJHV-SECBINFHSA-N -1 1 287.327 1.203 20 0 CDADMM CCOC(=O)c1cc(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)[nH]n1 ZINC001605564987 1163610886 /nfs/dbraw/zinc/61/08/86/1163610886.db2.gz WLIQCSXBNSVSDC-GXSJLCMTSA-N -1 1 295.339 1.129 20 0 CDADMM CCO[C@@H]1CCC[C@H]1NCc1nc(C(=O)[O-])cs1 ZINC001605650940 1163633712 /nfs/dbraw/zinc/63/37/12/1163633712.db2.gz LJESLQOAZCWDJW-PSASIEDQSA-N -1 1 270.354 1.889 20 0 CDADMM CCOc1ccc(CN2C[C@H](C(=O)[O-])C[C@H](O)C2)cc1F ZINC001605690797 1163642715 /nfs/dbraw/zinc/64/27/15/1163642715.db2.gz 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Cc1cc(NC2C[C@@H](C)O[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001605723269 1163651760 /nfs/dbraw/zinc/65/17/60/1163651760.db2.gz QAFIDEPOXJPPEX-NXEZZACHSA-N -1 1 288.355 1.360 20 0 CDADMM Cc1ccc(-c2noc(-c3ccnc(-c4nnn[n-]4)c3)n2)o1 ZINC001605805626 1163676755 /nfs/dbraw/zinc/67/67/55/1163676755.db2.gz ZOOMCTWRBDSPGK-UHFFFAOYSA-N -1 1 295.262 1.880 20 0 CDADMM Cc1ccc(-c2noc(-c3ccnc(-c4nn[n-]n4)c3)n2)o1 ZINC001605805626 1163676757 /nfs/dbraw/zinc/67/67/57/1163676757.db2.gz ZOOMCTWRBDSPGK-UHFFFAOYSA-N -1 1 295.262 1.880 20 0 CDADMM Cc1ccc(N2CCSC(C)(C)C2)nc1-c1nnn[n-]1 ZINC001605866889 1163697869 /nfs/dbraw/zinc/69/78/69/1163697869.db2.gz DBIQKCWJVRVOQD-UHFFFAOYSA-N -1 1 290.396 1.902 20 0 CDADMM Cc1ccc(N2CCSC(C)(C)C2)nc1-c1nn[n-]n1 ZINC001605866889 1163697873 /nfs/dbraw/zinc/69/78/73/1163697873.db2.gz DBIQKCWJVRVOQD-UHFFFAOYSA-N -1 1 290.396 1.902 20 0 CDADMM Cc1cccc([C@H](C)CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001605905350 1163711361 /nfs/dbraw/zinc/71/13/61/1163711361.db2.gz DAZIFBDZHLYSIP-LLVKDONJSA-N -1 1 295.350 1.603 20 0 CDADMM CCn1cc(CN[C@H](C)c2cncc(C(=O)[O-])c2)cn1 ZINC001605921752 1163715072 /nfs/dbraw/zinc/71/50/72/1163715072.db2.gz CUEYSUIODUENNT-SNVBAGLBSA-N -1 1 274.324 1.847 20 0 CDADMM CCn1nncc1CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC001605946706 1163723593 /nfs/dbraw/zinc/72/35/93/1163723593.db2.gz BCZNYCVDQNTFEH-BXUZGUMPSA-N -1 1 288.351 1.850 20 0 CDADMM Cc1cccnc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001605948107 1163724485 /nfs/dbraw/zinc/72/44/85/1163724485.db2.gz PTAAOBLGEHBEKI-UHFFFAOYSA-N -1 1 295.306 1.146 20 0 CDADMM Cc1cccnc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001605948107 1163724495 /nfs/dbraw/zinc/72/44/95/1163724495.db2.gz PTAAOBLGEHBEKI-UHFFFAOYSA-N -1 1 295.306 1.146 20 0 CDADMM Cc1[nH]nc(NC(=O)C2(C)CC=CC2)c1-c1nn[n-]n1 ZINC001606013852 1163744037 /nfs/dbraw/zinc/74/40/37/1163744037.db2.gz YCVWNQZTBVGIJZ-UHFFFAOYSA-N -1 1 273.300 1.193 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC(C)(C)CF ZINC001606167753 1163796152 /nfs/dbraw/zinc/79/61/52/1163796152.db2.gz WAZGAWISHXUKCT-UHFFFAOYSA-N -1 1 267.264 1.246 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC(C)(C)CF ZINC001606167753 1163796157 /nfs/dbraw/zinc/79/61/57/1163796157.db2.gz WAZGAWISHXUKCT-UHFFFAOYSA-N -1 1 267.264 1.246 20 0 CDADMM CN(Cc1cccs1)C(=O)CN[C@H](C(=O)[O-])C(C)(C)C ZINC001606170921 1163797069 /nfs/dbraw/zinc/79/70/69/1163797069.db2.gz JRRRPBMTLJXSRC-GFCCVEGCSA-N -1 1 298.408 1.795 20 0 CDADMM CN(Cc1nc(N)c2ccccc2n1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606177643 1163798489 /nfs/dbraw/zinc/79/84/89/1163798489.db2.gz NQYOQNGKBTZKOU-AOOOYVTPSA-N -1 1 286.335 1.507 20 0 CDADMM Clc1nsc(NCC2COC2)c1-c1nnn[n-]1 ZINC001606201079 1163805202 /nfs/dbraw/zinc/80/52/02/1163805202.db2.gz SBSZFWVLHDIFGU-UHFFFAOYSA-N -1 1 272.721 1.035 20 0 CDADMM Clc1nsc(NCC2COC2)c1-c1nn[n-]n1 ZINC001606201079 1163805209 /nfs/dbraw/zinc/80/52/09/1163805209.db2.gz SBSZFWVLHDIFGU-UHFFFAOYSA-N -1 1 272.721 1.035 20 0 CDADMM FC1(F)CCC[C@@H]1NCc1cccc(-c2nnn[n-]2)n1 ZINC001606299400 1163843456 /nfs/dbraw/zinc/84/34/56/1163843456.db2.gz DFWDJSYNIIWHPO-JTQLQIEISA-N -1 1 280.282 1.539 20 0 CDADMM FC1(F)CCC[C@@H]1NCc1cccc(-c2nn[n-]n2)n1 ZINC001606299400 1163843463 /nfs/dbraw/zinc/84/34/63/1163843463.db2.gz DFWDJSYNIIWHPO-JTQLQIEISA-N -1 1 280.282 1.539 20 0 CDADMM FCc1ccc(Cn2ccn3ncc(-c4nn[n-]n4)c23)cc1 ZINC001606302534 1163849120 /nfs/dbraw/zinc/84/91/20/1163849120.db2.gz HRPQHYWHWIQIKU-UHFFFAOYSA-N -1 1 297.297 1.834 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCCCCCF ZINC001606596213 1163935056 /nfs/dbraw/zinc/93/50/56/1163935056.db2.gz BUXZLWCDSMIHPK-UHFFFAOYSA-N -1 1 293.302 1.487 20 0 CDADMM O=C(NC[C@@H]1CCCC1(F)F)c1coc(-c2nnn[n-]2)c1 ZINC001606726126 1163972871 /nfs/dbraw/zinc/97/28/71/1163972871.db2.gz ACNXOAMVZYBRCM-QMMMGPOBSA-N -1 1 297.265 1.625 20 0 CDADMM O=C(NC[C@@H]1CCCC1(F)F)c1coc(-c2nn[n-]n2)c1 ZINC001606726126 1163972877 /nfs/dbraw/zinc/97/28/77/1163972877.db2.gz ACNXOAMVZYBRCM-QMMMGPOBSA-N -1 1 297.265 1.625 20 0 CDADMM O=C(O[C@@H]1CCc2cccnc21)c1coc(-c2nnn[n-]2)c1 ZINC001606964625 1164041201 /nfs/dbraw/zinc/04/12/01/1164041201.db2.gz XWWRXWSSAJNBIC-SNVBAGLBSA-N -1 1 297.274 1.699 20 0 CDADMM O=C(O[C@@H]1CCc2cccnc21)c1coc(-c2nn[n-]n2)c1 ZINC001606964625 1164041209 /nfs/dbraw/zinc/04/12/09/1164041209.db2.gz XWWRXWSSAJNBIC-SNVBAGLBSA-N -1 1 297.274 1.699 20 0 CDADMM O=C(OC[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)o1 ZINC001606967592 1164041568 /nfs/dbraw/zinc/04/15/68/1164041568.db2.gz MLBQFZKOBDPDKR-MRVPVSSYSA-N -1 1 278.268 1.186 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@@H](c2ccco2)C1 ZINC001607016873 1164060262 /nfs/dbraw/zinc/06/02/62/1164060262.db2.gz FTBFNCCKIBBONV-SECBINFHSA-N -1 1 299.290 1.682 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@@H](c2ccco2)C1 ZINC001607016873 1164060265 /nfs/dbraw/zinc/06/02/65/1164060265.db2.gz FTBFNCCKIBBONV-SECBINFHSA-N -1 1 299.290 1.682 20 0 CDADMM c1cc(N[C@H]2CCC[C@@H]3C[C@@H]32)cc(-c2nnn[n-]2)n1 ZINC001607119976 1164103162 /nfs/dbraw/zinc/10/31/62/1164103162.db2.gz ORTCALGSNJQCQG-MIMYLULJSA-N -1 1 256.313 1.284 20 0 CDADMM c1cc(N[C@H]2CCC[C@@H]3C[C@@H]32)cc(-c2nn[n-]n2)n1 ZINC001607119976 1164103167 /nfs/dbraw/zinc/10/31/67/1164103167.db2.gz ORTCALGSNJQCQG-MIMYLULJSA-N -1 1 256.313 1.284 20 0 CDADMM c1nc(-c2nn[n-]n2)nn1C[C@@H]1C[C@H]1c1ccccc1 ZINC001607131318 1164109303 /nfs/dbraw/zinc/10/93/03/1164109303.db2.gz YWNDHVKRNNNPGV-QWRGUYRKSA-N -1 1 267.296 1.262 20 0 CDADMM COc1ccccc1[C@H](N)CNC(=O)CCCCC(=O)[O-] ZINC001607338229 1164151105 /nfs/dbraw/zinc/15/11/05/1164151105.db2.gz HVECOIJPNVDPMW-GFCCVEGCSA-N -1 1 294.351 1.456 20 0 CDADMM Cc1cnn([C@H]2CCN(Cc3occc3C(=O)[O-])C2)c1 ZINC001607917152 1164338053 /nfs/dbraw/zinc/33/80/53/1164338053.db2.gz VRPTVSFVKRWGDP-NSHDSACASA-N -1 1 275.308 1.930 20 0 CDADMM O=C([O-])[C@@H](CF)NCc1ccc(F)c2cccnc12 ZINC001608532537 1164534749 /nfs/dbraw/zinc/53/47/49/1164534749.db2.gz FDWALNCGOAQUGT-LLVKDONJSA-N -1 1 266.247 1.886 20 0 CDADMM O=C([O-])[C@H](c1ccsc1)N1CCN(CCCCO)CC1 ZINC001608563633 1164547511 /nfs/dbraw/zinc/54/75/11/1164547511.db2.gz YQJUPTJEIJKQDA-ZDUSSCGKSA-N -1 1 298.408 1.264 20 0 CDADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1ccsc1)C[C@@H]2C(=O)[O-] ZINC001608610572 1164572394 /nfs/dbraw/zinc/57/23/94/1164572394.db2.gz LIAGKJFPANAMEA-IQLKVPPVSA-N -1 1 295.360 1.746 20 0 CDADMM O=C([O-])[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC001608633700 1164581819 /nfs/dbraw/zinc/58/18/19/1164581819.db2.gz AFCJERYRRVWBJN-ONGXEEELSA-N -1 1 283.711 1.872 20 0 CDADMM O=C([O-])c1cccc(-c2noc(CCc3nc[nH]n3)n2)c1 ZINC001608927573 1164685528 /nfs/dbraw/zinc/68/55/28/1164685528.db2.gz RTKDFFYMAIANJK-UHFFFAOYSA-N -1 1 285.263 1.338 20 0 CDADMM CC(=O)c1ccc(Oc2cnc(-c3nnn[n-]3)cn2)c(C)c1 ZINC001609067162 1164754780 /nfs/dbraw/zinc/75/47/80/1164754780.db2.gz VYHDVWXSCHVIKN-UHFFFAOYSA-N -1 1 296.290 1.960 20 0 CDADMM CC(=O)c1ccc(Oc2cnc(-c3nn[n-]n3)cn2)c(C)c1 ZINC001609067162 1164754783 /nfs/dbraw/zinc/75/47/83/1164754783.db2.gz VYHDVWXSCHVIKN-UHFFFAOYSA-N -1 1 296.290 1.960 20 0 CDADMM CC(C)[C@]1(C)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001609089630 1164764187 /nfs/dbraw/zinc/76/41/87/1164764187.db2.gz FOZLYQVRARFPJN-RISCZKNCSA-N -1 1 286.339 1.426 20 0 CDADMM CC(C)[C@]1(C)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001609089630 1164764192 /nfs/dbraw/zinc/76/41/92/1164764192.db2.gz FOZLYQVRARFPJN-RISCZKNCSA-N -1 1 286.339 1.426 20 0 CDADMM CC[C@H](CSC)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001609190990 1164833988 /nfs/dbraw/zinc/83/39/88/1164833988.db2.gz BMNGJRRLQGOQRJ-MRVPVSSYSA-N -1 1 279.373 1.235 20 0 CDADMM CC[C@H](CSC)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001609190990 1164833994 /nfs/dbraw/zinc/83/39/94/1164833994.db2.gz BMNGJRRLQGOQRJ-MRVPVSSYSA-N -1 1 279.373 1.235 20 0 CDADMM CC[C@@]1(NC(=O)c2cc(-c3nnn[n-]3)oc2C)CCOC1 ZINC001609198006 1164838223 /nfs/dbraw/zinc/83/82/23/1164838223.db2.gz GIEZVCVGPMJGOD-CYBMUJFWSA-N -1 1 291.311 1.067 20 0 CDADMM CC[C@@]1(NC(=O)c2cc(-c3nn[n-]n3)oc2C)CCOC1 ZINC001609198006 1164838228 /nfs/dbraw/zinc/83/82/28/1164838228.db2.gz GIEZVCVGPMJGOD-CYBMUJFWSA-N -1 1 291.311 1.067 20 0 CDADMM CC[C@H]1CCC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609199830 1164839106 /nfs/dbraw/zinc/83/91/06/1164839106.db2.gz GTBZHYQKWSACLE-VHSXEESVSA-N -1 1 286.339 1.570 20 0 CDADMM CC[C@H]1CCC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609199830 1164839110 /nfs/dbraw/zinc/83/91/10/1164839110.db2.gz GTBZHYQKWSACLE-VHSXEESVSA-N -1 1 286.339 1.570 20 0 CDADMM CC[C@@H]1CCCN(c2ncncc2-c2nn[n-]n2)CC1 ZINC001609200654 1164841719 /nfs/dbraw/zinc/84/17/19/1164841719.db2.gz BSFFIUDYEZROMG-SNVBAGLBSA-N -1 1 273.344 1.673 20 0 CDADMM CO[C@]1(C)CCCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001609312679 1164888962 /nfs/dbraw/zinc/88/89/62/1164888962.db2.gz MSVGTOUVTBUZAA-CQSZACIVSA-N -1 1 288.355 1.657 20 0 CDADMM CO[C@]1(C)CCCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001609312679 1164888968 /nfs/dbraw/zinc/88/89/68/1164888968.db2.gz MSVGTOUVTBUZAA-CQSZACIVSA-N -1 1 288.355 1.657 20 0 CDADMM COC[C@H](C)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609316524 1164894788 /nfs/dbraw/zinc/89/47/88/1164894788.db2.gz DAQCEGWVURMKNV-ZETCQYMHSA-N -1 1 282.325 1.368 20 0 CDADMM COC[C@H](C)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609316524 1164894795 /nfs/dbraw/zinc/89/47/95/1164894795.db2.gz DAQCEGWVURMKNV-ZETCQYMHSA-N -1 1 282.325 1.368 20 0 CDADMM Cc1ccc([C@@H](O)CNc2cccnc2-c2nnn[n-]2)o1 ZINC001609421044 1164939684 /nfs/dbraw/zinc/93/96/84/1164939684.db2.gz MVLRUNAVBPOKLG-JTQLQIEISA-N -1 1 286.295 1.309 20 0 CDADMM Cc1ccc([C@@H](O)CNc2cccnc2-c2nn[n-]n2)o1 ZINC001609421044 1164939685 /nfs/dbraw/zinc/93/96/85/1164939685.db2.gz MVLRUNAVBPOKLG-JTQLQIEISA-N -1 1 286.295 1.309 20 0 CDADMM Cc1ccn(Cc2ncc(C3CC3)o2)c(=O)c1-c1nn[n-]n1 ZINC001609437939 1164945847 /nfs/dbraw/zinc/94/58/47/1164945847.db2.gz IJOWRZZZHWYQMF-UHFFFAOYSA-N -1 1 298.306 1.251 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@@H](C)c2ccco2)c1-c1nn[n-]n1 ZINC001609444016 1164950165 /nfs/dbraw/zinc/95/01/65/1164950165.db2.gz FLIZYEJECDSFDB-LURJTMIESA-N -1 1 287.283 1.233 20 0 CDADMM Cc1[nH]nc(NC(=O)c2[nH]ccc2C2CC2)c1-c1nn[n-]n1 ZINC001609444572 1164950824 /nfs/dbraw/zinc/95/08/24/1164950824.db2.gz IYNIUYSIKPVSMM-UHFFFAOYSA-N -1 1 298.310 1.356 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@H]2C[C@H]2C(C)C)c1-c1nn[n-]n1 ZINC001609444571 1164951240 /nfs/dbraw/zinc/95/12/40/1164951240.db2.gz IXWKRSZVEBFIRA-YUMQZZPRSA-N -1 1 275.316 1.129 20 0 CDADMM Fc1cccc(OCC[C@H]2CCCO2)c1-c1nnn[n-]1 ZINC001609492190 1164974818 /nfs/dbraw/zinc/97/48/18/1164974818.db2.gz KNVQXIRYLCDZKI-SECBINFHSA-N -1 1 278.287 1.954 20 0 CDADMM O=C(NC1(C(F)(F)F)CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609539692 1164983430 /nfs/dbraw/zinc/98/34/30/1164983430.db2.gz VRZZXNYGLDBXCK-UHFFFAOYSA-N -1 1 298.228 1.086 20 0 CDADMM O=C(NC1(C(F)(F)F)CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609539692 1164983436 /nfs/dbraw/zinc/98/34/36/1164983436.db2.gz VRZZXNYGLDBXCK-UHFFFAOYSA-N -1 1 298.228 1.086 20 0 CDADMM O=C(Nc1cnn(CC2CC2)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001609569509 1164991535 /nfs/dbraw/zinc/99/15/35/1164991535.db2.gz VQVWWGYVGNBIEA-UHFFFAOYSA-N -1 1 299.294 1.319 20 0 CDADMM O=C(OCC(F)(F)F)c1sccc1-c1nn[n-]n1 ZINC001609573792 1164993445 /nfs/dbraw/zinc/99/34/45/1164993445.db2.gz PPWDMYQTRNFJKJ-UHFFFAOYSA-N -1 1 278.215 1.647 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC001609618997 1165014658 /nfs/dbraw/zinc/01/46/58/1165014658.db2.gz DANZLHLKUDXQCV-MNOVXSKESA-N -1 1 286.339 1.125 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC001609618997 1165014660 /nfs/dbraw/zinc/01/46/60/1165014660.db2.gz DANZLHLKUDXQCV-MNOVXSKESA-N -1 1 286.339 1.125 20 0 CDADMM CSc1ccccc1[C@@H](C)N[C@H](C)C(=O)NCC(=O)[O-] ZINC001610388957 1165302941 /nfs/dbraw/zinc/30/29/41/1165302941.db2.gz WFKPVBQXQSQMJW-NXEZZACHSA-N -1 1 296.392 1.648 20 0 CDADMM Cc1cccc2nc(CNC(=O)C34CC(C(=O)[O-])(C3)C4)[nH]c21 ZINC001610526351 1165340003 /nfs/dbraw/zinc/34/00/03/1165340003.db2.gz QILKLMWKGIGXON-UHFFFAOYSA-N -1 1 299.330 1.742 20 0 CDADMM O=C([O-])C[C@H]1CCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC001610762991 1165433073 /nfs/dbraw/zinc/43/30/73/1165433073.db2.gz LFFCZINYJYBTII-GFCCVEGCSA-N -1 1 263.293 1.824 20 0 CDADMM O=C([O-])c1cc(CN2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c[nH]1 ZINC001610810643 1165450791 /nfs/dbraw/zinc/45/07/91/1165450791.db2.gz BXXPVZJXPVKLPO-PSASIEDQSA-N -1 1 292.257 1.458 20 0 CDADMM O=C([O-])c1ccc(CN[C@H]2CCCc3c[nH]nc32)[nH]1 ZINC001610827619 1165455729 /nfs/dbraw/zinc/45/57/29/1165455729.db2.gz IHJMKHNHRFGQBW-JTQLQIEISA-N -1 1 260.297 1.603 20 0 CDADMM Cn1c(NC(=O)c2ccc(O)cc2[O-])nc2cccnc21 ZINC001632477482 1166351512 /nfs/dbraw/zinc/35/15/12/1166351512.db2.gz NHFAFFFZCLBPBR-UHFFFAOYSA-N -1 1 284.275 1.632 20 0 CDADMM Cn1c2ccccc2nc1NC(=O)c1cncc([O-])c1 ZINC001634088005 1166468434 /nfs/dbraw/zinc/46/84/34/1166468434.db2.gz QJKHYVXFGNUFNE-UHFFFAOYSA-N -1 1 268.276 1.926 20 0 CDADMM C[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC000095255221 1166612955 /nfs/dbraw/zinc/61/29/55/1166612955.db2.gz JWTNNYDJOWLOPR-RKDXNWHRSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC000095255221 1166612958 /nfs/dbraw/zinc/61/29/58/1166612958.db2.gz JWTNNYDJOWLOPR-RKDXNWHRSA-N -1 1 259.317 1.282 20 0 CDADMM COc1c[nH]nc1NC(=O)c1cc(F)ccc1[O-] ZINC001639579350 1166952252 /nfs/dbraw/zinc/95/22/52/1166952252.db2.gz BNJYXDPWNHATRB-UHFFFAOYSA-N -1 1 251.217 1.515 20 0 CDADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccn(C)n1 ZINC001642415143 1167173505 /nfs/dbraw/zinc/17/35/05/1167173505.db2.gz MNHZDHGPLMDPAS-QMMMGPOBSA-N -1 1 263.272 1.756 20 0 CDADMM O=C(COC(=O)[C@@H]1C[C@@]12CCOC2)c1ccc([O-])cc1O ZINC001645682675 1167464431 /nfs/dbraw/zinc/46/44/31/1167464431.db2.gz JZJDOBBVXIAENW-XHDPSFHLSA-N -1 1 292.287 1.250 20 0 CDADMM C[C@H]1CCc2sc(C(=O)N(C)c3nn[n-]n3)cc2C1 ZINC001646264806 1167733034 /nfs/dbraw/zinc/73/30/34/1167733034.db2.gz UDDNYUDSRYJFFD-ZETCQYMHSA-N -1 1 277.353 1.663 20 0 CDADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@@H]1C(C)(C)C ZINC001646627722 1167993298 /nfs/dbraw/zinc/99/32/98/1167993298.db2.gz JFRHMZATVXYKSJ-SSDOTTSWSA-N -1 1 281.312 1.157 20 0 CDADMM CC(C)[C@H](C(=O)Nc1ncc(CC(=O)[O-])s1)N(C)C ZINC001647421594 1168673842 /nfs/dbraw/zinc/67/38/42/1168673842.db2.gz IHVOWXHWNOUQLH-SNVBAGLBSA-N -1 1 285.369 1.295 20 0 CDADMM O=C([O-])C[C@@H](C[NH2+]Cc1ccn[nH]1)c1ccc(F)cc1 ZINC001647485547 1168757246 /nfs/dbraw/zinc/75/72/46/1168757246.db2.gz MMSVBMGMYRTUCD-NSHDSACASA-N -1 1 277.299 1.897 20 0 CDADMM CCOC(=O)[C@H](NC(=O)c1c([O-])cccc1F)C1CC1 ZINC001649757404 1169341852 /nfs/dbraw/zinc/34/18/52/1169341852.db2.gz OORIMVYKYWMWFY-GFCCVEGCSA-N -1 1 281.283 1.603 20 0 CDADMM COC[C@H](C)Oc1ccc(CNC[C@H](F)C(=O)[O-])cc1 ZINC001650014485 1169608564 /nfs/dbraw/zinc/60/85/64/1169608564.db2.gz LILYPPOIGLACRP-GWCFXTLKSA-N -1 1 285.315 1.613 20 0 CDADMM CC1CCN(CC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1 ZINC001573645903 1170718896 /nfs/dbraw/zinc/71/88/96/1170718896.db2.gz LVPFEWOZJXUBIX-SCRDCRAPSA-N -1 1 280.368 1.182 20 0 CDADMM CCn1cc(CN[C@@H](CCOC(C)(C)C)C(=O)[O-])nn1 ZINC001573846962 1170803475 /nfs/dbraw/zinc/80/34/75/1170803475.db2.gz GQZMSEWHXJOXBR-NSHDSACASA-N -1 1 284.360 1.046 20 0 CDADMM C[C@H](NCC(=O)N(C)CC(=O)[O-])c1ccc(F)c(F)c1 ZINC001574108393 1170882742 /nfs/dbraw/zinc/88/27/42/1170882742.db2.gz WONSDESSIOSFRJ-QMMMGPOBSA-N -1 1 286.278 1.158 20 0 CDADMM Cc1cc(CCC(=O)Nc2cc(C(=O)[O-])n(C)c2)n[nH]1 ZINC001574136020 1170894951 /nfs/dbraw/zinc/89/49/51/1170894951.db2.gz WBBMGINXUGHAFY-UHFFFAOYSA-N -1 1 276.296 1.326 20 0 CDADMM O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1Cc1coc(C2CC2)n1 ZINC001574403531 1170972848 /nfs/dbraw/zinc/97/28/48/1170972848.db2.gz QYKDNTZUBMQSMU-WCQGTBRESA-N -1 1 262.309 1.990 20 0 CDADMM C[C@H](O)[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ccccc1 ZINC001575475158 1171181075 /nfs/dbraw/zinc/18/10/75/1171181075.db2.gz UDQJIATZOPQHDD-TVQRCGJNSA-N -1 1 297.322 1.191 20 0 CDADMM C[C@H](O)[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ccccc1 ZINC001575475158 1171181080 /nfs/dbraw/zinc/18/10/80/1171181080.db2.gz UDQJIATZOPQHDD-TVQRCGJNSA-N -1 1 297.322 1.191 20 0 CDADMM C[C@H](O)CCCn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001575480607 1171182277 /nfs/dbraw/zinc/18/22/77/1171182277.db2.gz YYFSOXSESOKVBG-JTQLQIEISA-N -1 1 299.338 1.286 20 0 CDADMM CC1(C)CN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575702779 1171251007 /nfs/dbraw/zinc/25/10/07/1171251007.db2.gz NIAYDWPTTFSBFO-UHFFFAOYSA-N -1 1 292.368 1.480 20 0 CDADMM CC[C@](C)(NC(=O)c1cc(F)cc(F)c1[O-])c1c[nH]nn1 ZINC001576191311 1171353793 /nfs/dbraw/zinc/35/37/93/1171353793.db2.gz VTNHVUPVSDOYJX-ZDUSSCGKSA-N -1 1 296.277 1.844 20 0 CDADMM COc1cccc([O-])c1C(=O)Nc1cnc2ccnn2c1 ZINC001653634438 1171555737 /nfs/dbraw/zinc/55/57/37/1171555737.db2.gz VYFFITVDWNGDGT-UHFFFAOYSA-N -1 1 284.275 1.696 20 0 CDADMM Cn1nc(N)cc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001579996824 1172318906 /nfs/dbraw/zinc/31/89/06/1172318906.db2.gz SFSKSYCYHCPMGM-UHFFFAOYSA-N -1 1 268.223 1.238 20 0 CDADMM Cc1ncccc1CCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001581561306 1172615937 /nfs/dbraw/zinc/61/59/37/1172615937.db2.gz LSNMJTCRQJNBAZ-UHFFFAOYSA-N -1 1 298.306 1.136 20 0 CDADMM Fc1cccc([C@H]2CCN2c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001581854903 1172624473 /nfs/dbraw/zinc/62/44/73/1172624473.db2.gz BQNPIFVLQYKMOL-LLVKDONJSA-N -1 1 297.297 1.747 20 0 CDADMM O=C(NCc1ccns1)c1ccsc1-c1nnn[n-]1 ZINC001582557014 1172681909 /nfs/dbraw/zinc/68/19/09/1172681909.db2.gz OKMJZKYKLKCRAE-UHFFFAOYSA-N -1 1 292.349 1.315 20 0 CDADMM O=C(NCc1ccns1)c1ccsc1-c1nn[n-]n1 ZINC001582557014 1172681912 /nfs/dbraw/zinc/68/19/12/1172681912.db2.gz OKMJZKYKLKCRAE-UHFFFAOYSA-N -1 1 292.349 1.315 20 0 CDADMM O=C(OCc1ccncc1F)c1ccc(-c2nn[n-]n2)o1 ZINC001582656063 1172686135 /nfs/dbraw/zinc/68/61/35/1172686135.db2.gz OOIUQAWKTQYZAP-UHFFFAOYSA-N -1 1 289.226 1.351 20 0 CDADMM O=C(Nc1cccc(F)c1F)c1coc(-c2nnn[n-]2)c1 ZINC001582644289 1172687888 /nfs/dbraw/zinc/68/78/88/1172687888.db2.gz CFJQLBRJIBIXES-UHFFFAOYSA-N -1 1 291.217 1.990 20 0 CDADMM O=C(Nc1cccc(F)c1F)c1coc(-c2nn[n-]n2)c1 ZINC001582644289 1172687893 /nfs/dbraw/zinc/68/78/93/1172687893.db2.gz CFJQLBRJIBIXES-UHFFFAOYSA-N -1 1 291.217 1.990 20 0 CDADMM COc1ccc(C(=O)N2CCn3ccnc32)c([O-])c1 ZINC001586733056 1172956752 /nfs/dbraw/zinc/95/67/52/1172956752.db2.gz GYCAUVUZDUMTOH-UHFFFAOYSA-N -1 1 259.265 1.258 20 0 CDADMM O=C(c1nccc2occc21)N1CCC(c2nn[n-]n2)CC1 ZINC001587874490 1173003642 /nfs/dbraw/zinc/00/36/42/1173003642.db2.gz GYFLQKMNLQFOAK-UHFFFAOYSA-N -1 1 298.306 1.361 20 0 CDADMM CC(C)(C)CCCn1cnc(-c2nn[n-]n2)cc1=O ZINC001589124556 1173125782 /nfs/dbraw/zinc/12/57/82/1173125782.db2.gz IDWNXJASDHIXEV-UHFFFAOYSA-N -1 1 262.317 1.250 20 0 CDADMM CC(C)(F)COC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001589312829 1173136955 /nfs/dbraw/zinc/13/69/55/1173136955.db2.gz UWAZRHSTRJAMSF-UHFFFAOYSA-N -1 1 282.250 1.911 20 0 CDADMM CC(C)(F)COC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001589312829 1173136961 /nfs/dbraw/zinc/13/69/61/1173136961.db2.gz UWAZRHSTRJAMSF-UHFFFAOYSA-N -1 1 282.250 1.911 20 0 CDADMM CC(C)[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001589476239 1173148153 /nfs/dbraw/zinc/14/81/53/1173148153.db2.gz PJULWWDSPLDMPB-CYBMUJFWSA-N -1 1 295.350 1.888 20 0 CDADMM CC(C)[C@H]1C[C@H]1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589502142 1173150970 /nfs/dbraw/zinc/15/09/70/1173150970.db2.gz NMLCTZQGNHERBO-WDEREUQCSA-N -1 1 287.323 1.711 20 0 CDADMM CC(C)[C@H]1C[C@H]1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589502142 1173150974 /nfs/dbraw/zinc/15/09/74/1173150974.db2.gz NMLCTZQGNHERBO-WDEREUQCSA-N -1 1 287.323 1.711 20 0 CDADMM CC(C)CON=c1[n-]c(Cl)c(-c2nn[nH]n2)s1 ZINC001589647152 1173165953 /nfs/dbraw/zinc/16/59/53/1173165953.db2.gz AVBGTJWKQDFJLG-UHFFFAOYSA-N -1 1 274.737 1.976 20 0 CDADMM CC(C)SCCn1cccc(-c2nn[n-]n2)c1=O ZINC001589761400 1173176506 /nfs/dbraw/zinc/17/65/06/1173176506.db2.gz OBESSDJTGOECQB-UHFFFAOYSA-N -1 1 265.342 1.170 20 0 CDADMM C[C@@H](CC(C)(C)C)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001589796465 1173183075 /nfs/dbraw/zinc/18/30/75/1173183075.db2.gz MTIYTKZXBIXEED-ZETCQYMHSA-N -1 1 277.332 1.601 20 0 CDADMM C[C@H](Nc1cc(-c2nnn[n-]2)ncn1)[C@H](O)c1ccccc1 ZINC001589979914 1173221470 /nfs/dbraw/zinc/22/14/70/1173221470.db2.gz CDPHYAGWTCBKBC-ZANVPECISA-N -1 1 297.322 1.191 20 0 CDADMM C[C@H](Nc1cc(-c2nn[n-]n2)ncn1)[C@H](O)c1ccccc1 ZINC001589979914 1173221475 /nfs/dbraw/zinc/22/14/75/1173221475.db2.gz CDPHYAGWTCBKBC-ZANVPECISA-N -1 1 297.322 1.191 20 0 CDADMM CC1(C)CCC[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590094361 1173255419 /nfs/dbraw/zinc/25/54/19/1173255419.db2.gz GDODVSDAZWJLRB-NSHDSACASA-N -1 1 286.339 1.570 20 0 CDADMM CC1(C)CCC[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590094361 1173255427 /nfs/dbraw/zinc/25/54/27/1173255427.db2.gz GDODVSDAZWJLRB-NSHDSACASA-N -1 1 286.339 1.570 20 0 CDADMM CC1(CCOC(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001590127055 1173264825 /nfs/dbraw/zinc/26/48/25/1173264825.db2.gz JSLMEWRHECTLOB-UHFFFAOYSA-N -1 1 262.269 1.807 20 0 CDADMM CC1(NC(=O)c2cccc(-c3nnn[n-]3)n2)CCCC1 ZINC001590145268 1173271686 /nfs/dbraw/zinc/27/16/86/1173271686.db2.gz IZARYOGNJGVCST-UHFFFAOYSA-N -1 1 272.312 1.324 20 0 CDADMM CC1(NC(=O)c2cccc(-c3nn[n-]n3)n2)CCCC1 ZINC001590145268 1173271693 /nfs/dbraw/zinc/27/16/93/1173271693.db2.gz IZARYOGNJGVCST-UHFFFAOYSA-N -1 1 272.312 1.324 20 0 CDADMM C[C@@H]1CC(C)(C)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001590189423 1173283495 /nfs/dbraw/zinc/28/34/95/1173283495.db2.gz CEGBANCCELJUTJ-MRVPVSSYSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@@H]1CC(C)(C)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001590189423 1173283500 /nfs/dbraw/zinc/28/35/00/1173283500.db2.gz CEGBANCCELJUTJ-MRVPVSSYSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@@H]1CCC(C)(C)N1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590224721 1173304995 /nfs/dbraw/zinc/30/49/95/1173304995.db2.gz CIFXWTVXAXEPIY-SECBINFHSA-N -1 1 286.339 1.665 20 0 CDADMM C[C@@H]1CCC(C)(C)N1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590224721 1173305004 /nfs/dbraw/zinc/30/50/04/1173305004.db2.gz CIFXWTVXAXEPIY-SECBINFHSA-N -1 1 286.339 1.665 20 0 CDADMM C[C@@H]1CCCN1C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590265086 1173328341 /nfs/dbraw/zinc/32/83/41/1173328341.db2.gz QKCTZWIGRNPHRQ-SSDOTTSWSA-N -1 1 293.277 1.769 20 0 CDADMM C[C@@H]1CCCN1C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590265086 1173328350 /nfs/dbraw/zinc/32/83/50/1173328350.db2.gz QKCTZWIGRNPHRQ-SSDOTTSWSA-N -1 1 293.277 1.769 20 0 CDADMM CC[C@@H](C)[C@@H](C)C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001590395918 1173385876 /nfs/dbraw/zinc/38/58/76/1173385876.db2.gz GQYLGIAFZKMYRL-NXEZZACHSA-N -1 1 288.355 1.907 20 0 CDADMM CC[C@@H](C)[C@@H](C)C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001590395918 1173385882 /nfs/dbraw/zinc/38/58/82/1173385882.db2.gz GQYLGIAFZKMYRL-NXEZZACHSA-N -1 1 288.355 1.907 20 0 CDADMM CC[C@@H]1[C@@H](C)CCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590502475 1173438053 /nfs/dbraw/zinc/43/80/53/1173438053.db2.gz PZYVBENZSOFTOT-JOYOIKCWSA-N -1 1 286.339 1.522 20 0 CDADMM CC[C@@H]1[C@@H](C)CCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590502475 1173438056 /nfs/dbraw/zinc/43/80/56/1173438056.db2.gz PZYVBENZSOFTOT-JOYOIKCWSA-N -1 1 286.339 1.522 20 0 CDADMM CC[C@H]1C[C@H](CNc2n[nH]c(C)c2-c2nnn[n-]2)CCO1 ZINC001590503187 1173441217 /nfs/dbraw/zinc/44/12/17/1173441217.db2.gz ITOSLWQGBGGSKO-ZJUUUORDSA-N -1 1 291.359 1.515 20 0 CDADMM CC[C@H]1C[C@H](CNc2n[nH]c(C)c2-c2nn[n-]n2)CCO1 ZINC001590503187 1173441224 /nfs/dbraw/zinc/44/12/24/1173441224.db2.gz ITOSLWQGBGGSKO-ZJUUUORDSA-N -1 1 291.359 1.515 20 0 CDADMM CCCC1CCN(c2cc(-c3nnn[n-]3)nc(C)n2)CC1 ZINC001590571751 1173466062 /nfs/dbraw/zinc/46/60/62/1173466062.db2.gz IKVMFTFMPRZROJ-UHFFFAOYSA-N -1 1 287.371 1.982 20 0 CDADMM CCCC1CCN(c2cc(-c3nn[n-]n3)nc(C)n2)CC1 ZINC001590571751 1173466065 /nfs/dbraw/zinc/46/60/65/1173466065.db2.gz IKVMFTFMPRZROJ-UHFFFAOYSA-N -1 1 287.371 1.982 20 0 CDADMM CC[C@@H]1C[C@H]1C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001590859730 1173529859 /nfs/dbraw/zinc/52/98/59/1173529859.db2.gz REUBYKLORBLCQF-NXEZZACHSA-N -1 1 298.350 1.587 20 0 CDADMM CC[C@@H]1C[C@H]1C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001590859730 1173529864 /nfs/dbraw/zinc/52/98/64/1173529864.db2.gz REUBYKLORBLCQF-NXEZZACHSA-N -1 1 298.350 1.587 20 0 CDADMM CCc1ccnc(CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001590900198 1173535971 /nfs/dbraw/zinc/53/59/71/1173535971.db2.gz WWTMWZGIRCNSJJ-UHFFFAOYSA-N -1 1 282.311 1.226 20 0 CDADMM CCc1ccnc(CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001590900198 1173535975 /nfs/dbraw/zinc/53/59/75/1173535975.db2.gz WWTMWZGIRCNSJJ-UHFFFAOYSA-N -1 1 282.311 1.226 20 0 CDADMM CCc1nc(NCc2ccnn2CC)cc(-c2nnn[n-]2)n1 ZINC001590922823 1173544156 /nfs/dbraw/zinc/54/41/56/1173544156.db2.gz RDMCPZQHBFTTSK-UHFFFAOYSA-N -1 1 299.342 1.048 20 0 CDADMM CCc1nc(NCc2ccnn2CC)cc(-c2nn[n-]n2)n1 ZINC001590922823 1173544162 /nfs/dbraw/zinc/54/41/62/1173544162.db2.gz RDMCPZQHBFTTSK-UHFFFAOYSA-N -1 1 299.342 1.048 20 0 CDADMM CCc1nc(NCc2occc2C)cc(-c2nnn[n-]2)n1 ZINC001590922819 1173544293 /nfs/dbraw/zinc/54/42/93/1173544293.db2.gz QVWKQPMZEMEFGA-UHFFFAOYSA-N -1 1 285.311 1.733 20 0 CDADMM CCc1nc(NCc2occc2C)cc(-c2nn[n-]n2)n1 ZINC001590922819 1173544295 /nfs/dbraw/zinc/54/42/95/1173544295.db2.gz QVWKQPMZEMEFGA-UHFFFAOYSA-N -1 1 285.311 1.733 20 0 CDADMM CCc1nc(NCC[C@H]2CCCO2)cc(-c2nnn[n-]2)n1 ZINC001590922297 1173545322 /nfs/dbraw/zinc/54/53/22/1173545322.db2.gz IRDPEDLJZULPEM-SECBINFHSA-N -1 1 289.343 1.200 20 0 CDADMM CCc1nc(NCC[C@H]2CCCO2)cc(-c2nn[n-]n2)n1 ZINC001590922297 1173545327 /nfs/dbraw/zinc/54/53/27/1173545327.db2.gz IRDPEDLJZULPEM-SECBINFHSA-N -1 1 289.343 1.200 20 0 CDADMM CN(C[C@H]1CC1(C)C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001591049912 1173564883 /nfs/dbraw/zinc/56/48/83/1173564883.db2.gz AWMJZDIKFIPPGL-SNVBAGLBSA-N -1 1 286.339 1.380 20 0 CDADMM CN(C[C@H]1CC1(C)C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001591049912 1173564888 /nfs/dbraw/zinc/56/48/88/1173564888.db2.gz AWMJZDIKFIPPGL-SNVBAGLBSA-N -1 1 286.339 1.380 20 0 CDADMM COC(=O)c1cc(Cn2ccnc2-c2nnn[n-]2)ccc1C ZINC001591288589 1173599844 /nfs/dbraw/zinc/59/98/44/1173599844.db2.gz BTIASYLZAZRGRP-UHFFFAOYSA-N -1 1 298.306 1.207 20 0 CDADMM COC(=O)c1cc(Cn2ccnc2-c2nn[n-]n2)ccc1C ZINC001591288589 1173599850 /nfs/dbraw/zinc/59/98/50/1173599850.db2.gz BTIASYLZAZRGRP-UHFFFAOYSA-N -1 1 298.306 1.207 20 0 CDADMM CO[C@](C)([C@H](C)Nc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001591318422 1173604301 /nfs/dbraw/zinc/60/43/01/1173604301.db2.gz RHYHUKRIMCMZCX-LKFCYVNXSA-N -1 1 288.355 1.299 20 0 CDADMM CO[C@](C)([C@H](C)Nc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001591318422 1173604305 /nfs/dbraw/zinc/60/43/05/1173604305.db2.gz RHYHUKRIMCMZCX-LKFCYVNXSA-N -1 1 288.355 1.299 20 0 CDADMM CO[C@H](C)CCC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001591322232 1173608130 /nfs/dbraw/zinc/60/81/30/1173608130.db2.gz OMNIRFVRHLPWFQ-ZCFIWIBFSA-N -1 1 282.329 1.077 20 0 CDADMM CO[C@H](C)CCC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001591322232 1173608137 /nfs/dbraw/zinc/60/81/37/1173608137.db2.gz OMNIRFVRHLPWFQ-ZCFIWIBFSA-N -1 1 282.329 1.077 20 0 CDADMM CO[C@@H]1CC[C@H]1N(C)c1ccc(C)nc1-c1nnn[n-]1 ZINC001591353336 1173626018 /nfs/dbraw/zinc/62/60/18/1173626018.db2.gz JOAJRJPZGDDEES-MWLCHTKSSA-N -1 1 274.328 1.184 20 0 CDADMM CO[C@@H]1CC[C@H]1N(C)c1ccc(C)nc1-c1nn[n-]n1 ZINC001591353336 1173626025 /nfs/dbraw/zinc/62/60/25/1173626025.db2.gz JOAJRJPZGDDEES-MWLCHTKSSA-N -1 1 274.328 1.184 20 0 CDADMM CO[C@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC001591357134 1173628873 /nfs/dbraw/zinc/62/88/73/1173628873.db2.gz DYRBHYJMNUJTGY-ONGXEEELSA-N -1 1 274.328 1.265 20 0 CDADMM CO[C@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC001591357134 1173628877 /nfs/dbraw/zinc/62/88/77/1173628877.db2.gz DYRBHYJMNUJTGY-ONGXEEELSA-N -1 1 274.328 1.265 20 0 CDADMM CO[C@H]1CCC[C@H]1CNc1nc(-c2nn[n-]n2)ccc1C ZINC001591360731 1173631420 /nfs/dbraw/zinc/63/14/20/1173631420.db2.gz JRUKIFCMBRMFRT-JQWIXIFHSA-N -1 1 288.355 1.797 20 0 CDADMM COCCCCN(C)c1nc(-c2nn[n-]n2)ccc1C ZINC001591410413 1173647540 /nfs/dbraw/zinc/64/75/40/1173647540.db2.gz FALRFXBGQFQHTK-UHFFFAOYSA-N -1 1 276.344 1.433 20 0 CDADMM CON(C(=O)c1ccnc(-c2nnn[n-]2)c1)C1CCCC1 ZINC001591464906 1173655032 /nfs/dbraw/zinc/65/50/32/1173655032.db2.gz YYZWBFVAZHCTOH-UHFFFAOYSA-N -1 1 288.311 1.208 20 0 CDADMM CON(C(=O)c1ccnc(-c2nn[n-]n2)c1)C1CCCC1 ZINC001591464906 1173655036 /nfs/dbraw/zinc/65/50/36/1173655036.db2.gz YYZWBFVAZHCTOH-UHFFFAOYSA-N -1 1 288.311 1.208 20 0 CDADMM CO[C@@]1(C)C[C@H]1Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591473161 1173658328 /nfs/dbraw/zinc/65/83/28/1173658328.db2.gz BYJLCXBCQKSRTR-RNCFNFMXSA-N -1 1 287.327 1.123 20 0 CDADMM CO[C@@]1(C)C[C@H]1Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591473161 1173658332 /nfs/dbraw/zinc/65/83/32/1173658332.db2.gz BYJLCXBCQKSRTR-RNCFNFMXSA-N -1 1 287.327 1.123 20 0 CDADMM COc1cc(NC(=O)c2ccc(-c3nnn[n-]3)o2)ccn1 ZINC001591545365 1173666680 /nfs/dbraw/zinc/66/66/80/1173666680.db2.gz GGVGHBMNYINORJ-UHFFFAOYSA-N -1 1 286.251 1.116 20 0 CDADMM COc1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)ccn1 ZINC001591545365 1173666691 /nfs/dbraw/zinc/66/66/91/1173666691.db2.gz GGVGHBMNYINORJ-UHFFFAOYSA-N -1 1 286.251 1.116 20 0 CDADMM COc1ccccc1[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001591654736 1173677430 /nfs/dbraw/zinc/67/74/30/1173677430.db2.gz YQNNPPQEKJDEHM-SECBINFHSA-N -1 1 297.322 1.838 20 0 CDADMM COc1ccccc1[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001591654736 1173677433 /nfs/dbraw/zinc/67/74/33/1173677433.db2.gz YQNNPPQEKJDEHM-SECBINFHSA-N -1 1 297.322 1.838 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C)S[C@H](C)C2)n1 ZINC001591883797 1173736959 /nfs/dbraw/zinc/73/69/59/1173736959.db2.gz HCYUKMXLTXNUFM-RKDXNWHRSA-N -1 1 291.384 1.295 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C)S[C@H](C)C2)n1 ZINC001591883797 1173736969 /nfs/dbraw/zinc/73/69/69/1173736969.db2.gz HCYUKMXLTXNUFM-RKDXNWHRSA-N -1 1 291.384 1.295 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]2C2CCCC2)n1 ZINC001591886715 1173738445 /nfs/dbraw/zinc/73/84/45/1173738445.db2.gz AVARIBNIACFMDE-GFCCVEGCSA-N -1 1 285.355 1.734 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]2C2CCCC2)n1 ZINC001591886715 1173738450 /nfs/dbraw/zinc/73/84/50/1173738450.db2.gz AVARIBNIACFMDE-GFCCVEGCSA-N -1 1 285.355 1.734 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](O)C(C)(C)C2)c1 ZINC001591886800 1173739517 /nfs/dbraw/zinc/73/95/17/1173739517.db2.gz FZHRKIWTLPJUEQ-LLVKDONJSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](O)C(C)(C)C2)c1 ZINC001591886800 1173739520 /nfs/dbraw/zinc/73/95/20/1173739520.db2.gz FZHRKIWTLPJUEQ-LLVKDONJSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)n1 ZINC001591894857 1173742291 /nfs/dbraw/zinc/74/22/91/1173742291.db2.gz AXVCTZNOQLRPSU-DQDDRIPDSA-N -1 1 285.355 1.669 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)n1 ZINC001591894857 1173742297 /nfs/dbraw/zinc/74/22/97/1173742297.db2.gz AXVCTZNOQLRPSU-DQDDRIPDSA-N -1 1 285.355 1.669 20 0 CDADMM Cc1cc(C)cc(CCNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001591953477 1173752586 /nfs/dbraw/zinc/75/25/86/1173752586.db2.gz XTNNIJODZUEXSB-UHFFFAOYSA-N -1 1 295.350 1.350 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H]1CCC(C)(C)O1 ZINC001592115158 1173806397 /nfs/dbraw/zinc/80/63/97/1173806397.db2.gz ZLQRDIUXQBAOSA-SNVBAGLBSA-N -1 1 288.355 1.940 20 0 CDADMM Cc1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)cc1O ZINC001592180218 1173825076 /nfs/dbraw/zinc/82/50/76/1173825076.db2.gz DERNWMNQMDLPTR-UHFFFAOYSA-N -1 1 285.263 1.726 20 0 CDADMM Cc1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)cc1O ZINC001592180218 1173825080 /nfs/dbraw/zinc/82/50/80/1173825080.db2.gz DERNWMNQMDLPTR-UHFFFAOYSA-N -1 1 285.263 1.726 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@H](C)O[C@@H]2C)c(-c2nnn[n-]2)n1 ZINC001592183876 1173827714 /nfs/dbraw/zinc/82/77/14/1173827714.db2.gz LMVQXYRLMUKJHA-IQJOONFLSA-N -1 1 274.328 1.548 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@H](C)O[C@@H]2C)c(-c2nn[n-]n2)n1 ZINC001592183876 1173827719 /nfs/dbraw/zinc/82/77/19/1173827719.db2.gz LMVQXYRLMUKJHA-IQJOONFLSA-N -1 1 274.328 1.548 20 0 CDADMM Cc1nn(C)cc1[C@H](C)Nc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001592184043 1173828047 /nfs/dbraw/zinc/82/80/47/1173828047.db2.gz PFPRWQDVFPSORP-VIFPVBQESA-N -1 1 298.354 1.785 20 0 CDADMM Cc1nn(C)cc1[C@H](C)Nc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001592184043 1173828049 /nfs/dbraw/zinc/82/80/49/1173828049.db2.gz PFPRWQDVFPSORP-VIFPVBQESA-N -1 1 298.354 1.785 20 0 CDADMM Cc1ccc(N[C@@H]2CCCSC2)nc1-c1nnn[n-]1 ZINC001592184592 1173829259 /nfs/dbraw/zinc/82/92/59/1173829259.db2.gz VRZQSDBBMTXQIA-SECBINFHSA-N -1 1 276.369 1.878 20 0 CDADMM Cc1ccc(N[C@@H]2CCCSC2)nc1-c1nn[n-]n1 ZINC001592184592 1173829265 /nfs/dbraw/zinc/82/92/65/1173829265.db2.gz VRZQSDBBMTXQIA-SECBINFHSA-N -1 1 276.369 1.878 20 0 CDADMM Cc1ccccc1CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001592257958 1173838327 /nfs/dbraw/zinc/83/83/27/1173838327.db2.gz LYGIAQULYAAUCE-UHFFFAOYSA-N -1 1 295.350 1.644 20 0 CDADMM Cc1cnc(NCc2nc(-c3nnn[n-]3)cs2)s1 ZINC001592293513 1173848261 /nfs/dbraw/zinc/84/82/61/1173848261.db2.gz AWRFENCVDIBUKG-UHFFFAOYSA-N -1 1 279.354 1.700 20 0 CDADMM Cc1cnc(NCc2nc(-c3nn[n-]n3)cs2)s1 ZINC001592293513 1173848272 /nfs/dbraw/zinc/84/82/72/1173848272.db2.gz AWRFENCVDIBUKG-UHFFFAOYSA-N -1 1 279.354 1.700 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC(C)(C)[C@@H]2C(C)C)n1 ZINC001592337099 1173858383 /nfs/dbraw/zinc/85/83/83/1173858383.db2.gz AZQQKIFYTCWWGH-LBPRGKRZSA-N -1 1 287.371 1.836 20 0 CDADMM Cc1nc(C)c(COc2ccc(F)nc2-c2nn[n-]n2)o1 ZINC001592357264 1173868686 /nfs/dbraw/zinc/86/86/86/1173868686.db2.gz IGVHSBFFSMGQGW-UHFFFAOYSA-N -1 1 290.258 1.585 20 0 CDADMM Cc1nn(CC2(C)CCC2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592435928 1173887235 /nfs/dbraw/zinc/88/72/35/1173887235.db2.gz GBOPKTCDRCEESB-UHFFFAOYSA-N -1 1 274.328 1.230 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@@H]2C[C@@H]2C(C)C)c1-c1nnn[n-]1 ZINC001592441310 1173891318 /nfs/dbraw/zinc/89/13/18/1173891318.db2.gz DQIIWQZFELIUKS-RKDXNWHRSA-N -1 1 289.343 1.139 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@@H]2C[C@@H]2C(C)C)c1-c1nn[n-]n1 ZINC001592441310 1173891323 /nfs/dbraw/zinc/89/13/23/1173891323.db2.gz DQIIWQZFELIUKS-RKDXNWHRSA-N -1 1 289.343 1.139 20 0 CDADMM Cc1noc(NC(=O)c2csc(-c3nn[n-]n3)c2)c1C ZINC001592462735 1173896271 /nfs/dbraw/zinc/89/62/71/1173896271.db2.gz OSRXUCOJKKUFOX-UHFFFAOYSA-N -1 1 290.308 1.785 20 0 CDADMM Cc1noc(CSCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001592462151 1173898014 /nfs/dbraw/zinc/89/80/14/1173898014.db2.gz FRYLCXIRZWIREG-UHFFFAOYSA-N -1 1 295.353 1.448 20 0 CDADMM Cc1noc(CSCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001592462151 1173898019 /nfs/dbraw/zinc/89/80/19/1173898019.db2.gz FRYLCXIRZWIREG-UHFFFAOYSA-N -1 1 295.353 1.448 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1cscn1 ZINC001592500220 1173907847 /nfs/dbraw/zinc/90/78/47/1173907847.db2.gz BTMCQCNIVPTDBM-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1cscn1 ZINC001592500220 1173907849 /nfs/dbraw/zinc/90/78/49/1173907849.db2.gz BTMCQCNIVPTDBM-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cn1c(CNc2n[nH]cc2-c2nnn[n-]2)cc2ccccc21 ZINC001592552571 1173919758 /nfs/dbraw/zinc/91/97/58/1173919758.db2.gz IHPYOYNAVZSZTR-UHFFFAOYSA-N -1 1 294.322 1.694 20 0 CDADMM Cn1c(CNc2n[nH]cc2-c2nn[n-]n2)cc2ccccc21 ZINC001592552571 1173919764 /nfs/dbraw/zinc/91/97/64/1173919764.db2.gz IHPYOYNAVZSZTR-UHFFFAOYSA-N -1 1 294.322 1.694 20 0 CDADMM Fc1ccc(O[C@@H]2C=CCCC2)c(-c2nn[n-]n2)n1 ZINC001592652083 1173952692 /nfs/dbraw/zinc/95/26/92/1173952692.db2.gz OXFDFASBWMKURM-MRVPVSSYSA-N -1 1 261.260 1.888 20 0 CDADMM Fc1ccc(OCC[C@@H]2CCCCO2)c(-c2nnn[n-]2)n1 ZINC001592651838 1173953499 /nfs/dbraw/zinc/95/34/99/1173953499.db2.gz AFJVODUDEAIIKG-VIFPVBQESA-N -1 1 293.302 1.739 20 0 CDADMM Fc1ccc(OCC[C@@H]2CCCCO2)c(-c2nn[n-]n2)n1 ZINC001592651838 1173953503 /nfs/dbraw/zinc/95/35/03/1173953503.db2.gz AFJVODUDEAIIKG-VIFPVBQESA-N -1 1 293.302 1.739 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC001592754626 1173986404 /nfs/dbraw/zinc/98/64/04/1173986404.db2.gz PVJLQRIRVNVWGF-BDAKNGLRSA-N -1 1 287.327 1.112 20 0 CDADMM O=C(C[C@@H]1CCCO1)OCc1ccc(-c2nn[n-]n2)s1 ZINC001592823251 1173994082 /nfs/dbraw/zinc/99/40/82/1173994082.db2.gz DEMVVHWQWRHZRK-QMMMGPOBSA-N -1 1 294.336 1.541 20 0 CDADMM O=C(CCOCC1CC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592847333 1173998254 /nfs/dbraw/zinc/99/82/54/1173998254.db2.gz AGXUCEPXHMDNFC-UHFFFAOYSA-N -1 1 288.311 1.017 20 0 CDADMM O=C(CCOCC1CC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592847333 1173998259 /nfs/dbraw/zinc/99/82/59/1173998259.db2.gz AGXUCEPXHMDNFC-UHFFFAOYSA-N -1 1 288.311 1.017 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cscn1 ZINC001593136601 1174023923 /nfs/dbraw/zinc/02/39/23/1174023923.db2.gz CHUPGLIXEKWHAC-UHFFFAOYSA-N -1 1 292.349 1.315 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(Cl)o1 ZINC001593198056 1174031159 /nfs/dbraw/zinc/03/11/59/1174031159.db2.gz UNVNDALJSIIPGA-UHFFFAOYSA-N -1 1 279.647 1.089 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(Cl)o1 ZINC001593198056 1174031165 /nfs/dbraw/zinc/03/11/65/1174031165.db2.gz UNVNDALJSIIPGA-UHFFFAOYSA-N -1 1 279.647 1.089 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cc(F)ccc1F ZINC001593259972 1174041707 /nfs/dbraw/zinc/04/17/07/1174041707.db2.gz GDRDSQNATRAEKS-UHFFFAOYSA-N -1 1 291.221 1.120 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001593279275 1174049060 /nfs/dbraw/zinc/04/90/60/1174049060.db2.gz BOMKIESJQACODR-BDAKNGLRSA-N -1 1 293.352 1.271 20 0 CDADMM O=C(OCCCCCCF)c1ccnc(-c2nn[n-]n2)c1 ZINC001593287444 1174053841 /nfs/dbraw/zinc/05/38/41/1174053841.db2.gz KYYDUNMHKBUGDF-UHFFFAOYSA-N -1 1 293.302 1.948 20 0 CDADMM O=C(OCCCCCCF)c1ccnc(-c2nnn[n-]2)c1 ZINC001593287444 1174053836 /nfs/dbraw/zinc/05/38/36/1174053836.db2.gz KYYDUNMHKBUGDF-UHFFFAOYSA-N -1 1 293.302 1.948 20 0 CDADMM O=C(OCC[C@@H]1C[C@H]1C1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593291049 1174054816 /nfs/dbraw/zinc/05/48/16/1174054816.db2.gz TXLYMWVFUUBXOF-PWSUYJOCSA-N -1 1 299.334 1.855 20 0 CDADMM O=C(OCC[C@@H]1C[C@H]1C1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593291049 1174054818 /nfs/dbraw/zinc/05/48/18/1174054818.db2.gz TXLYMWVFUUBXOF-PWSUYJOCSA-N -1 1 299.334 1.855 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCc2ccccc2C1 ZINC001593370021 1174072032 /nfs/dbraw/zinc/07/20/32/1174072032.db2.gz YMEVUPOQUWXCDA-UHFFFAOYSA-N -1 1 295.302 1.658 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCc2ccccc2C1 ZINC001593370021 1174072034 /nfs/dbraw/zinc/07/20/34/1174072034.db2.gz YMEVUPOQUWXCDA-UHFFFAOYSA-N -1 1 295.302 1.658 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1Cc1ccc(Cl)cn1 ZINC001593493972 1174086626 /nfs/dbraw/zinc/08/66/26/1174086626.db2.gz CFOZMGFKBBSOPG-UHFFFAOYSA-N -1 1 288.698 1.125 20 0 CDADMM O[C@H](CCOc1cnc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001593536465 1174110166 /nfs/dbraw/zinc/11/01/66/1174110166.db2.gz LHCBKNDRVUSUOJ-GFCCVEGCSA-N -1 1 298.306 1.159 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CC3CCC2CC3)c1 ZINC001593550253 1174121355 /nfs/dbraw/zinc/12/13/55/1174121355.db2.gz PLEOAVPRHCJPBW-UHFFFAOYSA-N -1 1 256.313 1.641 20 0 CDADMM c1cc(NC[C@H]2CC3(CCC3)CO2)cc(-c2nnn[n-]2)n1 ZINC001593558443 1174132758 /nfs/dbraw/zinc/13/27/58/1174132758.db2.gz NJPMWERBFPTJNB-LLVKDONJSA-N -1 1 286.339 1.055 20 0 CDADMM c1cc(NC[C@H]2CC3(CCC3)CO2)cc(-c2nn[n-]n2)n1 ZINC001593558443 1174132762 /nfs/dbraw/zinc/13/27/62/1174132762.db2.gz NJPMWERBFPTJNB-LLVKDONJSA-N -1 1 286.339 1.055 20 0 CDADMM c1cc(N2CCC[C@H](C3CCC3)C2)nc(-c2nn[n-]n2)n1 ZINC001593558358 1174133785 /nfs/dbraw/zinc/13/37/85/1174133785.db2.gz DDQMZDWHRWBTGM-NSHDSACASA-N -1 1 285.355 1.673 20 0 CDADMM c1cc(NCC[C@H]2CCCOC2)nc(-c2nnn[n-]2)c1 ZINC001593560929 1174135722 /nfs/dbraw/zinc/13/57/22/1174135722.db2.gz NFIIJKLIJWTHLE-SNVBAGLBSA-N -1 1 274.328 1.490 20 0 CDADMM c1cc(NCC[C@H]2CCCOC2)nc(-c2nn[n-]n2)c1 ZINC001593560929 1174135724 /nfs/dbraw/zinc/13/57/24/1174135724.db2.gz NFIIJKLIJWTHLE-SNVBAGLBSA-N -1 1 274.328 1.490 20 0 CDADMM c1ccc(C[C@@H]2C[C@@H]2Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001593571582 1174142500 /nfs/dbraw/zinc/14/25/00/1174142500.db2.gz AUSJSELEIHABNR-NEPJUHHUSA-N -1 1 293.334 1.700 20 0 CDADMM c1ccc(C[C@@H]2C[C@@H]2Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001593571582 1174142505 /nfs/dbraw/zinc/14/25/05/1174142505.db2.gz AUSJSELEIHABNR-NEPJUHHUSA-N -1 1 293.334 1.700 20 0 CDADMM c1cc(-c2nn[n-]n2)sc1CNc1ncnc2c1CCC2 ZINC001593592508 1174159741 /nfs/dbraw/zinc/15/97/41/1174159741.db2.gz ZSCFSBCKGDIXQF-UHFFFAOYSA-N -1 1 299.363 1.819 20 0 CDADMM c1nc(N2CCC[C@H](C3CCC3)C2)cnc1-c1nnn[n-]1 ZINC001593591033 1174161205 /nfs/dbraw/zinc/16/12/05/1174161205.db2.gz JGHGTJPSJZNUHU-NSHDSACASA-N -1 1 285.355 1.673 20 0 CDADMM c1nc(N2CCC[C@H](C3CCC3)C2)cnc1-c1nn[n-]n1 ZINC001593591033 1174161206 /nfs/dbraw/zinc/16/12/06/1174161206.db2.gz JGHGTJPSJZNUHU-NSHDSACASA-N -1 1 285.355 1.673 20 0 CDADMM Cc1nnc(CNC(=O)c2ncc3ccccc3c2[O-])o1 ZINC001596566447 1174241167 /nfs/dbraw/zinc/24/11/67/1174241167.db2.gz IQCRTDGXBRHWII-UHFFFAOYSA-N -1 1 284.275 1.562 20 0 CDADMM CSc1ncc(C(=O)NC[C@H](C)C2CC2)c(=O)[n-]1 ZINC001597493434 1174276526 /nfs/dbraw/zinc/27/65/26/1174276526.db2.gz ISIIXYQMHBKJIJ-ZETCQYMHSA-N -1 1 267.354 1.680 20 0 CDADMM Cc1cc(CN2CCSC[C@H]2CC(=O)[O-])nc(C)n1 ZINC001600195629 1174400326 /nfs/dbraw/zinc/40/03/26/1174400326.db2.gz IBCQYBRWUIEVHH-GFCCVEGCSA-N -1 1 281.381 1.486 20 0 CDADMM Cc1cc(CNCc2c(C3CC3)cnn2C)[nH]c1C(=O)[O-] ZINC001600208685 1174410368 /nfs/dbraw/zinc/41/03/68/1174410368.db2.gz IRLDMLMLMYFIFQ-UHFFFAOYSA-N -1 1 288.351 1.922 20 0 CDADMM CC(C)C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000095205533 1174510077 /nfs/dbraw/zinc/51/00/77/1174510077.db2.gz RNLULGQDSWWBEP-UHFFFAOYSA-N -1 1 261.285 1.373 20 0 CDADMM c1nc(-c2nn[n-]n2)nn1Cc1cccc2ccccc21 ZINC000095251019 1174517728 /nfs/dbraw/zinc/51/77/28/1174517728.db2.gz XBKIYOLCAUZZQM-UHFFFAOYSA-N -1 1 277.291 1.660 20 0 CDADMM Cc1n[nH]cc1NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC001600675636 1174559900 /nfs/dbraw/zinc/55/99/00/1174559900.db2.gz KHEJOTFZHYHGEF-UHFFFAOYSA-N -1 1 299.308 1.427 20 0 CDADMM Cc1ncccc1CN[C@H](C(=O)[O-])c1cccnc1 ZINC001600752479 1174591335 /nfs/dbraw/zinc/59/13/35/1174591335.db2.gz MHUAPUVEJXDOQX-ZDUSSCGKSA-N -1 1 257.293 1.701 20 0 CDADMM Cc1nccn1-c1ccncc1NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001600754336 1174592958 /nfs/dbraw/zinc/59/29/58/1174592958.db2.gz IDFFDEDQEUPALY-VHSXEESVSA-N -1 1 286.291 1.235 20 0 CDADMM Cc1noc([C@@H]2CCCN(Cc3cc(C(=O)[O-])no3)C2)n1 ZINC001600813933 1174624327 /nfs/dbraw/zinc/62/43/27/1174624327.db2.gz WAYSFUCKRJCSNK-SECBINFHSA-N -1 1 292.295 1.444 20 0 CDADMM c1ccc2c(c1)CCN(c1ccnc(-c3nnn[n-]3)c1)CC2 ZINC000103671218 1174683953 /nfs/dbraw/zinc/68/39/53/1174683953.db2.gz CGCRJPXUJRHFRS-UHFFFAOYSA-N -1 1 292.346 1.867 20 0 CDADMM c1ccc2c(c1)CCN(c1ccnc(-c3nn[n-]n3)c1)CC2 ZINC000103671218 1174683956 /nfs/dbraw/zinc/68/39/56/1174683956.db2.gz CGCRJPXUJRHFRS-UHFFFAOYSA-N -1 1 292.346 1.867 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(CC(=O)c3c[nH]c4ccccc34)C[C@@H]21 ZINC001601317334 1174833160 /nfs/dbraw/zinc/83/31/60/1174833160.db2.gz IERXSVXHBRZRKV-JYAVWHMHSA-N -1 1 284.315 1.613 20 0 CDADMM O=C([O-])c1cc(Cl)cc(NC(=O)Nc2c[nH]nn2)c1 ZINC001601588681 1174908796 /nfs/dbraw/zinc/90/87/96/1174908796.db2.gz VSAGTEVFDHSBRX-UHFFFAOYSA-N -1 1 281.659 1.800 20 0 CDADMM O=C([O-])C[C@]1(NCc2ncc(Cl)s2)CCCOC1 ZINC001601937386 1175074855 /nfs/dbraw/zinc/07/48/55/1175074855.db2.gz QIOPDBZPYBSLBH-LLVKDONJSA-N -1 1 290.772 1.910 20 0 CDADMM O=C([O-])C[C@]1(NCc2csc(C3CC3)n2)CCOC1 ZINC001601937380 1175074880 /nfs/dbraw/zinc/07/48/80/1175074880.db2.gz PSRNAJNHBLALPX-CYBMUJFWSA-N -1 1 282.365 1.744 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1ccc2c(c1)CCCC2 ZINC001602192654 1175157728 /nfs/dbraw/zinc/15/77/28/1175157728.db2.gz AMQQLLAFYDAYAC-CABCVRRESA-N -1 1 275.348 1.585 20 0 CDADMM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC001602213569 1175168979 /nfs/dbraw/zinc/16/89/79/1175168979.db2.gz QNNWKQMIRSZSFV-GMTAPVOTSA-N -1 1 291.351 1.274 20 0 CDADMM O=C([O-])c1cccc(CN2CCc3n[nH]nc3C2)c1Cl ZINC001602436513 1175239188 /nfs/dbraw/zinc/23/91/88/1175239188.db2.gz IGVXYEJNFNSFBQ-UHFFFAOYSA-N -1 1 292.726 1.715 20 0 CDADMM O=C([O-])c1cccc2c1C[N@@H+](C[C@@H](O)c1ccccn1)CC2 ZINC001602459211 1175246863 /nfs/dbraw/zinc/24/68/63/1175246863.db2.gz NUIGBVIKQABWER-MRXNPFEDSA-N -1 1 298.342 1.872 20 0 CDADMM O=C([O-])c1cncc(CN[C@H](CO)c2ccc(F)cc2)c1 ZINC001602539001 1175280101 /nfs/dbraw/zinc/28/01/01/1175280101.db2.gz JBFPFVRMQPVFMN-CQSZACIVSA-N -1 1 290.294 1.742 20 0 CDADMM C(=Cc1cnc(-c2nnn[n-]2)cn1)c1cn(C2CCC2)nn1 ZINC001602745481 1175381140 /nfs/dbraw/zinc/38/11/40/1175381140.db2.gz HKCUDKVRRSFYAX-SNAWJCMRSA-N -1 1 295.310 1.144 20 0 CDADMM C(=Cc1cnc(-c2nn[n-]n2)cn1)c1cn(C2CCC2)nn1 ZINC001602745481 1175381145 /nfs/dbraw/zinc/38/11/45/1175381145.db2.gz HKCUDKVRRSFYAX-SNAWJCMRSA-N -1 1 295.310 1.144 20 0 CDADMM C(=C/c1ccccc1)\COc1cnc(-c2nn[n-]n2)nc1 ZINC001602745583 1175381557 /nfs/dbraw/zinc/38/15/57/1175381557.db2.gz KDKVWLCSIPQBEO-QPJJXVBHSA-N -1 1 280.291 1.749 20 0 CDADMM CC(C)(CNc1cc(-c2nnn[n-]2)ncn1)CC(F)F ZINC001603150754 1175502490 /nfs/dbraw/zinc/50/24/90/1175502490.db2.gz PEAMPLLYMCCOCU-UHFFFAOYSA-N -1 1 283.286 1.750 20 0 CDADMM CC(C)(CNc1cc(-c2nn[n-]n2)ncn1)CC(F)F ZINC001603150754 1175502496 /nfs/dbraw/zinc/50/24/96/1175502496.db2.gz PEAMPLLYMCCOCU-UHFFFAOYSA-N -1 1 283.286 1.750 20 0 CDADMM CC(C)(F)CCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001603157661 1175505719 /nfs/dbraw/zinc/50/57/19/1175505719.db2.gz DDTKFFLRLLAFIH-UHFFFAOYSA-N -1 1 278.291 1.130 20 0 CDADMM CC(C)(F)CCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001603157661 1175505724 /nfs/dbraw/zinc/50/57/24/1175505724.db2.gz DDTKFFLRLLAFIH-UHFFFAOYSA-N -1 1 278.291 1.130 20 0 CDADMM CC(C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001603287949 1175532956 /nfs/dbraw/zinc/53/29/56/1175532956.db2.gz FGOBKJBDHJAEOI-UHFFFAOYSA-N -1 1 294.746 1.643 20 0 CDADMM CC(C)(C)OC(=O)N1CCN(CC2(C(=O)[O-])CC2)[C@@H]2C[C@@H]21 ZINC001603421042 1175551465 /nfs/dbraw/zinc/55/14/65/1175551465.db2.gz XTYNRBAWYWPAFA-MNOVXSKESA-N -1 1 296.367 1.545 20 0 CDADMM CC(C)c1nnc(NCc2cccc(-c3nnn[n-]3)n2)o1 ZINC001603419067 1175551579 /nfs/dbraw/zinc/55/15/79/1175551579.db2.gz SITLSFSPJMXSMN-UHFFFAOYSA-N -1 1 286.299 1.380 20 0 CDADMM CC(C)c1nnc(NCc2cccc(-c3nn[n-]n3)n2)o1 ZINC001603419067 1175551587 /nfs/dbraw/zinc/55/15/87/1175551587.db2.gz SITLSFSPJMXSMN-UHFFFAOYSA-N -1 1 286.299 1.380 20 0 CDADMM C[C@H](CC(=O)OCc1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC001603450849 1175556403 /nfs/dbraw/zinc/55/64/03/1175556403.db2.gz CZYBEPVNLDRGGC-MRVPVSSYSA-N -1 1 276.296 1.939 20 0 CDADMM C[C@H](CC(=O)OCc1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC001603450849 1175556410 /nfs/dbraw/zinc/55/64/10/1175556410.db2.gz CZYBEPVNLDRGGC-MRVPVSSYSA-N -1 1 276.296 1.939 20 0 CDADMM C[C@](O)(CNc1cccnc1-c1nnn[n-]1)c1ccccc1 ZINC001603691276 1175600286 /nfs/dbraw/zinc/60/02/86/1175600286.db2.gz XQTKURTVSPCORB-HNNXBMFYSA-N -1 1 296.334 1.581 20 0 CDADMM C[C@](O)(CNc1cccnc1-c1nn[n-]n1)c1ccccc1 ZINC001603691276 1175600289 /nfs/dbraw/zinc/60/02/89/1175600289.db2.gz XQTKURTVSPCORB-HNNXBMFYSA-N -1 1 296.334 1.581 20 0 CDADMM CC(C)C[C@H](C(=O)[O-])N(C)[C@H]1CCCCN(C)C1=O ZINC001603766242 1175624436 /nfs/dbraw/zinc/62/44/36/1175624436.db2.gz CTWBMDUFZZVSQC-NWDGAFQWSA-N -1 1 270.373 1.428 20 0 CDADMM CC(C)CN(C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001603802180 1175636407 /nfs/dbraw/zinc/63/64/07/1175636407.db2.gz YHRIYEQAPJADJF-UHFFFAOYSA-N -1 1 264.325 1.911 20 0 CDADMM C[C@]1(CNc2nccnc2-c2nnn[n-]2)CCCCO1 ZINC001603806498 1175637388 /nfs/dbraw/zinc/63/73/88/1175637388.db2.gz CCKBRYLXGUYZCW-GFCCVEGCSA-N -1 1 275.316 1.028 20 0 CDADMM C[C@]1(CNc2nccnc2-c2nn[n-]n2)CCCCO1 ZINC001603806498 1175637393 /nfs/dbraw/zinc/63/73/93/1175637393.db2.gz CCKBRYLXGUYZCW-GFCCVEGCSA-N -1 1 275.316 1.028 20 0 CDADMM C[C@@]1(CNc2nccnc2-c2nnn[n-]2)CCCCO1 ZINC001603806499 1175637446 /nfs/dbraw/zinc/63/74/46/1175637446.db2.gz CCKBRYLXGUYZCW-LBPRGKRZSA-N -1 1 275.316 1.028 20 0 CDADMM C[C@@]1(CNc2nccnc2-c2nn[n-]n2)CCCCO1 ZINC001603806499 1175637450 /nfs/dbraw/zinc/63/74/50/1175637450.db2.gz CCKBRYLXGUYZCW-LBPRGKRZSA-N -1 1 275.316 1.028 20 0 CDADMM C[C@]1(COC(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@H]1F ZINC001603807621 1175638815 /nfs/dbraw/zinc/63/88/15/1175638815.db2.gz DNZNHWDQQIRDIT-BXKDBHETSA-N -1 1 277.259 1.167 20 0 CDADMM C[C@]1(COC(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@H]1F ZINC001603807621 1175638819 /nfs/dbraw/zinc/63/88/19/1175638819.db2.gz DNZNHWDQQIRDIT-BXKDBHETSA-N -1 1 277.259 1.167 20 0 CDADMM Cc1nc(-c2nn[n-]n2)c(N2N=C(C)[C@H](C(C)C)C2=O)o1 ZINC001603825791 1175645214 /nfs/dbraw/zinc/64/52/14/1175645214.db2.gz DNXFCOUNHSUFLQ-QMMMGPOBSA-N -1 1 289.299 1.158 20 0 CDADMM C[C@H]1C[C@@H]1COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603872481 1175663919 /nfs/dbraw/zinc/66/39/19/1175663919.db2.gz SAOQKXHXXJPIBF-IONNQARKSA-N -1 1 259.269 1.075 20 0 CDADMM C[C@H]1C[C@@H]1COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603872481 1175663924 /nfs/dbraw/zinc/66/39/24/1175663924.db2.gz SAOQKXHXXJPIBF-IONNQARKSA-N -1 1 259.269 1.075 20 0 CDADMM C[C@H]1CC[C@H](C)N(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001603874642 1175664992 /nfs/dbraw/zinc/66/49/92/1175664992.db2.gz MLLKTBXRGIBSLG-UWVGGRQHSA-N -1 1 286.339 1.522 20 0 CDADMM C[C@H]1CC[C@H](C)N(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001603874642 1175664993 /nfs/dbraw/zinc/66/49/93/1175664993.db2.gz MLLKTBXRGIBSLG-UWVGGRQHSA-N -1 1 286.339 1.522 20 0 CDADMM C[C@H]1CCCC[C@H]1N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001603889365 1175671841 /nfs/dbraw/zinc/67/18/41/1175671841.db2.gz ALCJHCRPVCKFLY-VHSXEESVSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603890131 1175672148 /nfs/dbraw/zinc/67/21/48/1175672148.db2.gz BGGIKERQKMFSQQ-SFYZADRCSA-N -1 1 261.285 1.378 20 0 CDADMM C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603890131 1175672152 /nfs/dbraw/zinc/67/21/52/1175672152.db2.gz BGGIKERQKMFSQQ-SFYZADRCSA-N -1 1 261.285 1.378 20 0 CDADMM C[C@@H]1CCCC[C@H]1N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001603889363 1175672930 /nfs/dbraw/zinc/67/29/30/1175672930.db2.gz ALCJHCRPVCKFLY-NXEZZACHSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001603903336 1175679500 /nfs/dbraw/zinc/67/95/00/1175679500.db2.gz KTXVABJQUHBEQJ-RKDXNWHRSA-N -1 1 275.312 1.578 20 0 CDADMM C[C@@H]1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001603903336 1175679502 /nfs/dbraw/zinc/67/95/02/1175679502.db2.gz KTXVABJQUHBEQJ-RKDXNWHRSA-N -1 1 275.312 1.578 20 0 CDADMM CC=C(C=CC(=O)n1ncc(-c2nn[n-]n2)c1N)CC ZINC001603962166 1175700012 /nfs/dbraw/zinc/70/00/12/1175700012.db2.gz IZHCQZTUPNRYRE-ZDSYRHETSA-N -1 1 273.300 1.198 20 0 CDADMM 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176313130 /nfs/dbraw/zinc/31/31/30/176313130.db2.gz SBYJJRWEMJMBRH-LBPRGKRZSA-N -1 1 292.335 1.111 20 0 CDADMM CC(C)(C)C(F)(F)CNc1ccnc(-c2nnn[n-]2)c1 ZINC001589092215 1173124076 /nfs/dbraw/zinc/12/40/76/1173124076.db2.gz DLNDXIWQJJZECD-UHFFFAOYSA-N -1 1 282.298 1.777 20 0 CDADMM CC(C)(C)C(F)(F)CNc1ccnc(-c2nn[n-]n2)c1 ZINC001589092215 1173124078 /nfs/dbraw/zinc/12/40/78/1173124078.db2.gz DLNDXIWQJJZECD-UHFFFAOYSA-N -1 1 282.298 1.777 20 0 CDADMM CC(C)=C(C)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001589346165 1173139229 /nfs/dbraw/zinc/13/92/29/1173139229.db2.gz MUCIVTPCOUMLRN-UHFFFAOYSA-N -1 1 264.314 1.618 20 0 CDADMM CC(C)=C(C)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001589346165 1173139235 /nfs/dbraw/zinc/13/92/35/1173139235.db2.gz MUCIVTPCOUMLRN-UHFFFAOYSA-N -1 1 264.314 1.618 20 0 CDADMM O=S(=O)([N-][C@@H](CO)CCF)c1ccc(Cl)cc1F ZINC000651896079 423873488 /nfs/dbraw/zinc/87/34/88/423873488.db2.gz GVCXJOHTHZYFOI-MRVPVSSYSA-N -1 1 299.726 1.478 20 0 CDADMM CC(=O)N[C@H]1CCCN([C@H](C(=O)[O-])c2ccccc2F)C1 ZINC000652390034 424356862 /nfs/dbraw/zinc/35/68/62/424356862.db2.gz YFBYBTIKKROFAD-FZMZJTMJSA-N -1 1 294.326 1.552 20 0 CDADMM O=C([O-])[C@@H]1CN(CCOCC(F)F)Cc2ccccc21 ZINC000652469752 424465944 /nfs/dbraw/zinc/46/59/44/424465944.db2.gz DNEDXRRLQDZGFH-GFCCVEGCSA-N -1 1 285.290 1.952 20 0 CDADMM Cn1cnnc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000163052369 270243226 /nfs/dbraw/zinc/24/32/26/270243226.db2.gz IADIISISFZWFFO-UHFFFAOYSA-N -1 1 268.276 1.926 20 0 CDADMM Cc1n[n-]c(=NCc2cc3c(cccc3F)[nH]2)n1C ZINC000436024123 270389045 /nfs/dbraw/zinc/38/90/45/270389045.db2.gz XOGLLDXZSADMSE-UHFFFAOYSA-N -1 1 259.288 1.778 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000529422503 270947080 /nfs/dbraw/zinc/94/70/80/270947080.db2.gz VPZGREXIIKTELD-ZLNHGNLKSA-N -1 1 253.302 1.422 20 0 CDADMM COc1c(C)cnc(C[N@H+]2CC[C@@](OC)(C(=O)[O-])C2)c1C ZINC000530168262 271125259 /nfs/dbraw/zinc/12/52/59/271125259.db2.gz BKYYBRFXGBENAY-HNNXBMFYSA-N -1 1 294.351 1.383 20 0 CDADMM C[C@@H]1OCC[C@H]1COc1ccc(F)nc1-c1nnn[n-]1 ZINC001590334983 1173361043 /nfs/dbraw/zinc/36/10/43/1173361043.db2.gz AVUXCDYXGLMQPN-YUMQZZPRSA-N -1 1 279.275 1.205 20 0 CDADMM C[C@@H]1OCC[C@H]1COc1ccc(F)nc1-c1nn[n-]n1 ZINC001590334983 1173361050 /nfs/dbraw/zinc/36/10/50/1173361050.db2.gz AVUXCDYXGLMQPN-YUMQZZPRSA-N -1 1 279.275 1.205 20 0 CDADMM CC[C@H](C)[C@](C)(O)CNc1ccc(C)nc1-c1nnn[n-]1 ZINC001590396624 1173388259 /nfs/dbraw/zinc/38/82/59/1173388259.db2.gz NGHSTEKOKVPJDK-LKFCYVNXSA-N -1 1 290.371 1.779 20 0 CDADMM CC[C@H](C)[C@](C)(O)CNc1ccc(C)nc1-c1nn[n-]n1 ZINC001590396624 1173388263 /nfs/dbraw/zinc/38/82/63/1173388263.db2.gz NGHSTEKOKVPJDK-LKFCYVNXSA-N -1 1 290.371 1.779 20 0 CDADMM CC(=O)NCCN(Cc1ccccc1Cl)[C@H](C)C(=O)[O-] ZINC000263445577 278112260 /nfs/dbraw/zinc/11/22/60/278112260.db2.gz XSVMBGZTQJJIHM-SNVBAGLBSA-N -1 1 298.770 1.751 20 0 CDADMM C[C@H](C(=O)N1CCCc2ccccc21)N(C)CCC(=O)[O-] ZINC000262650008 278140894 /nfs/dbraw/zinc/14/08/94/278140894.db2.gz KYZQQLUBABTVNM-GFCCVEGCSA-N -1 1 290.363 1.761 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@@H]1O ZINC000436773556 288027873 /nfs/dbraw/zinc/02/78/73/288027873.db2.gz SDAHCVBTCKNFBL-HQJQHLMTSA-N -1 1 289.253 1.864 20 0 CDADMM CCS[C@H]1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000092618923 279290317 /nfs/dbraw/zinc/29/03/17/279290317.db2.gz RLKQMYBTBNONKI-BDAKNGLRSA-N -1 1 256.375 1.204 20 0 CDADMM CN(Cc1cccc(O)c1)C(=O)c1cncc([O-])c1 ZINC000111742278 279325278 /nfs/dbraw/zinc/32/52/78/279325278.db2.gz LJCKYJNHMFCORB-UHFFFAOYSA-N -1 1 258.277 1.765 20 0 CDADMM Cc1cc(C(=O)[N-]c2n[nH]c(-c3ccncc3)n2)on1 ZINC000360156171 280373437 /nfs/dbraw/zinc/37/34/37/280373437.db2.gz CBFCQWJEDKWVAL-UHFFFAOYSA-N -1 1 270.252 1.415 20 0 CDADMM CC[C@@H]1CN(C(=O)c2ncccc2[O-])CCCO1 ZINC000281798064 280395040 /nfs/dbraw/zinc/39/50/40/280395040.db2.gz WAXSHZRQDZNPHO-SNVBAGLBSA-N -1 1 250.298 1.428 20 0 CDADMM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1nnn[n-]1 ZINC000524579346 281111963 /nfs/dbraw/zinc/11/19/63/281111963.db2.gz SIQDEGWZILBAFS-QMMMGPOBSA-N -1 1 273.296 1.094 20 0 CDADMM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1nn[n-]n1 ZINC000524579346 281111967 /nfs/dbraw/zinc/11/19/67/281111967.db2.gz SIQDEGWZILBAFS-QMMMGPOBSA-N -1 1 273.296 1.094 20 0 CDADMM CC[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@@H]1O ZINC000270511128 281149249 /nfs/dbraw/zinc/14/92/49/281149249.db2.gz CSXGVUUSZWAWGP-UFBFGSQYSA-N -1 1 269.728 1.889 20 0 CDADMM CC[C@@H](O)CCCNc1snc(C)c1-c1nn[n-]n1 ZINC001590474894 1173426482 /nfs/dbraw/zinc/42/64/82/1173426482.db2.gz HIVQJCDCRPLQGW-MRVPVSSYSA-N -1 1 282.373 1.595 20 0 CDADMM CC[C@]1(C)COCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590490516 1173433505 /nfs/dbraw/zinc/43/35/05/1173433505.db2.gz OHMPIAPJHHJESP-CYBMUJFWSA-N -1 1 291.311 1.101 20 0 CDADMM CC[C@]1(C)COCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590490516 1173433506 /nfs/dbraw/zinc/43/35/06/1173433506.db2.gz OHMPIAPJHHJESP-CYBMUJFWSA-N -1 1 291.311 1.101 20 0 CDADMM Cc1cscc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000095976979 289063483 /nfs/dbraw/zinc/06/34/83/289063483.db2.gz AJEYFQKVEDXGDE-SECBINFHSA-N -1 1 277.353 1.589 20 0 CDADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(F)c2)co1 ZINC000157398746 289285887 /nfs/dbraw/zinc/28/58/87/289285887.db2.gz JJYPMMBFJFURLV-UHFFFAOYSA-N -1 1 298.295 1.579 20 0 CDADMM Cn1[n-]c(CN2CCCc3c(F)cccc32)nc1=O ZINC000541575817 289500504 /nfs/dbraw/zinc/50/05/04/289500504.db2.gz DNXPWYWVCAMLIJ-UHFFFAOYSA-N -1 1 262.288 1.200 20 0 CDADMM CC1(C)CCCC[C@H]1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000546147277 289721999 /nfs/dbraw/zinc/72/19/99/289721999.db2.gz HRBOJYHPOIHZAY-SNVBAGLBSA-N -1 1 289.339 1.116 20 0 CDADMM Cn1cnc([N-]C(=O)c2coc(-c3ccccc3)n2)n1 ZINC000554456841 290160971 /nfs/dbraw/zinc/16/09/71/290160971.db2.gz YVEHUPXDKKHOBX-UHFFFAOYSA-N -1 1 269.264 1.722 20 0 CDADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000558474751 290397764 /nfs/dbraw/zinc/39/77/64/290397764.db2.gz DPZBWBKINHEUQX-ONGXEEELSA-N -1 1 289.339 1.068 20 0 CDADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)CCC1CCC1 ZINC000564688036 293393938 /nfs/dbraw/zinc/39/39/38/293393938.db2.gz LDALOKQCRYJNGF-VIFPVBQESA-N -1 1 299.339 1.293 20 0 CDADMM CCCCCCC(=O)Cn1cc(-c2nn[n-]n2)ccc1=O ZINC001590591118 1173469074 /nfs/dbraw/zinc/46/90/74/1173469074.db2.gz XZCMXWCKPBSOTC-UHFFFAOYSA-N -1 1 289.339 1.568 20 0 CDADMM Cc1cnc(SC[C@@H]2CCCS(=O)(=O)C2)[n-]c1=O ZINC000570291548 294211369 /nfs/dbraw/zinc/21/13/69/294211369.db2.gz CKHDEMWGQVGNHT-VIFPVBQESA-N -1 1 288.394 1.408 20 0 CDADMM O=C(Nc1cc(Cl)c(O)cc1F)c1n[nH]c(=O)[n-]1 ZINC000572912705 294715772 /nfs/dbraw/zinc/71/57/72/294715772.db2.gz AQALGZYHELMYNS-UHFFFAOYSA-N -1 1 272.623 1.261 20 0 CDADMM CCOC(=O)c1cnn(CCC2CCC2)c1-c1nn[n-]n1 ZINC001590775602 1173506367 /nfs/dbraw/zinc/50/63/67/1173506367.db2.gz PLNQDRSSNSBXNR-UHFFFAOYSA-N -1 1 290.327 1.430 20 0 CDADMM Cn1[n-]c(CN2CCC(C)(C)c3ccccc32)nc1=O ZINC000335053149 302890097 /nfs/dbraw/zinc/89/00/97/302890097.db2.gz SYURWIHAQYBJJW-UHFFFAOYSA-N -1 1 272.352 1.796 20 0 CDADMM CN(CC(C)(C)C)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591042626 1173564746 /nfs/dbraw/zinc/56/47/46/1173564746.db2.gz PKVWRWFXKVJGEF-UHFFFAOYSA-N -1 1 288.355 1.309 20 0 CDADMM CN(CC(C)(C)C)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591042626 1173564751 /nfs/dbraw/zinc/56/47/51/1173564751.db2.gz PKVWRWFXKVJGEF-UHFFFAOYSA-N -1 1 288.355 1.309 20 0 CDADMM CO[C@@H](C)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591325124 1173613860 /nfs/dbraw/zinc/61/38/60/1173613860.db2.gz VWERGBNBNVMNLU-BQBZGAKWSA-N -1 1 281.341 1.081 20 0 CDADMM CO[C@@H](C)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591325124 1173613863 /nfs/dbraw/zinc/61/38/63/1173613863.db2.gz VWERGBNBNVMNLU-BQBZGAKWSA-N -1 1 281.341 1.081 20 0 CDADMM COC[C@H](C)CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591373435 1173634367 /nfs/dbraw/zinc/63/43/67/1173634367.db2.gz HHQUMNOPAZGZSG-MRVPVSSYSA-N -1 1 293.302 1.018 20 0 CDADMM COC[C@H](C)CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591373435 1173634373 /nfs/dbraw/zinc/63/43/73/1173634373.db2.gz HHQUMNOPAZGZSG-MRVPVSSYSA-N -1 1 293.302 1.018 20 0 CDADMM COC[C@H](CSCc1ccc(-c2nnn[n-]2)o1)OC ZINC001591378014 1173635383 /nfs/dbraw/zinc/63/53/83/1173635383.db2.gz WJMMZBWMYOIBIX-SECBINFHSA-N -1 1 284.341 1.354 20 0 CDADMM COC[C@H](CSCc1ccc(-c2nn[n-]n2)o1)OC ZINC001591378014 1173635387 /nfs/dbraw/zinc/63/53/87/1173635387.db2.gz WJMMZBWMYOIBIX-SECBINFHSA-N -1 1 284.341 1.354 20 0 CDADMM CS[C@@H]1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001591689330 1173682789 /nfs/dbraw/zinc/68/27/89/1173682789.db2.gz DEMOEUTXXYBSBU-RKDXNWHRSA-N -1 1 291.384 1.743 20 0 CDADMM CS[C@@H]1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001591689330 1173682797 /nfs/dbraw/zinc/68/27/97/1173682797.db2.gz DEMOEUTXXYBSBU-RKDXNWHRSA-N -1 1 291.384 1.743 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCSC[C@@H]2C)c1 ZINC001591887702 1173739993 /nfs/dbraw/zinc/73/99/93/1173739993.db2.gz FFGXWDLMNUIZDF-VIFPVBQESA-N -1 1 276.369 1.512 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCSC[C@@H]2C)c1 ZINC001591887702 1173739998 /nfs/dbraw/zinc/73/99/98/1173739998.db2.gz FFGXWDLMNUIZDF-VIFPVBQESA-N -1 1 276.369 1.512 20 0 CDADMM Cn1cnc(-c2nc(-c3ccc([O-])c(F)c3)no2)n1 ZINC000350570357 316178883 /nfs/dbraw/zinc/17/88/83/316178883.db2.gz VBEZXCDNNLGQBC-UHFFFAOYSA-N -1 1 261.216 1.377 20 0 CDADMM C[C@@H](NC(N)=O)c1noc(-c2ccc([O-])cc2F)n1 ZINC000350591936 316184047 /nfs/dbraw/zinc/18/40/47/316184047.db2.gz XQDLJEWXPVMOQC-RXMQYKEDSA-N -1 1 266.232 1.311 20 0 CDADMM Cc1nc([C@H]2CCCN(C(=O)[C@H](C(=O)[O-])C(C)C)C2)n[nH]1 ZINC000563713287 316360400 /nfs/dbraw/zinc/36/04/00/316360400.db2.gz HIANJEIHNYXJQO-WDEREUQCSA-N -1 1 294.355 1.176 20 0 CDADMM Cc1cccc(Cl)c1CC(=O)NC1(c2nn[n-]n2)CC1 ZINC000576209225 317095622 /nfs/dbraw/zinc/09/56/22/317095622.db2.gz CSMHKCIIVURXNB-UHFFFAOYSA-N -1 1 291.742 1.510 20 0 CDADMM Cc1n[nH]c(C(=O)NC[C@H](CC(C)C)C(=O)[O-])c1C ZINC000577740459 317394095 /nfs/dbraw/zinc/39/40/95/317394095.db2.gz LYKROOFJBAEWHY-JTQLQIEISA-N -1 1 267.329 1.503 20 0 CDADMM 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/nfs/dbraw/zinc/29/67/76/1175296776.db2.gz IOGAQEVAMQOEQW-JLLWLGSASA-N -1 1 296.392 1.967 20 0 CDADMM CCC[C@@H]1CC(=O)N(CN2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000829256945 600713234 /nfs/dbraw/zinc/71/32/34/600713234.db2.gz VDTFDMZHNIGGHW-VXGBXAGGSA-N -1 1 268.357 1.389 20 0 CDADMM CCC(C)(C)CCN1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000696701912 600815644 /nfs/dbraw/zinc/81/56/44/600815644.db2.gz CBDNVFKPIUYJOI-JTQLQIEISA-N -1 1 256.346 1.088 20 0 CDADMM Cc1ncccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000091495266 600830971 /nfs/dbraw/zinc/83/09/71/600830971.db2.gz NMCUOABJKIFNTA-UHFFFAOYSA-N -1 1 281.293 1.217 20 0 CDADMM CC(=O)N1CCCN([C@@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000825834794 600983453 /nfs/dbraw/zinc/98/34/53/600983453.db2.gz WRSZMYFJNKOOJR-CQSZACIVSA-N -1 1 294.326 1.506 20 0 CDADMM Cc1nc(C(C)(C)NCCC(=O)NCC(=O)[O-])sc1C ZINC000832994242 601043690 /nfs/dbraw/zinc/04/36/90/601043690.db2.gz NJXTWJWBYLOBGV-UHFFFAOYSA-N -1 1 299.396 1.176 20 0 CDADMM C[C@@H](C(=O)NCC(=O)[O-])N(C)Cc1cc2ccccc2o1 ZINC000825999497 601118960 /nfs/dbraw/zinc/11/89/60/601118960.db2.gz BXALEPNAYGBCLY-JTQLQIEISA-N -1 1 290.319 1.454 20 0 CDADMM CC(C)CCc1noc(CN2C[C@H](C)[C@@H](C(=O)[O-])C2)n1 ZINC000826865295 601536828 /nfs/dbraw/zinc/53/68/28/601536828.db2.gz LLABPWVHXWFISK-QWRGUYRKSA-N -1 1 281.356 1.811 20 0 CDADMM O=C([O-])CN(C(=O)[C@@H]1CCCc2[nH]ncc21)C1CCCC1 ZINC000833242062 601872393 /nfs/dbraw/zinc/87/23/93/601872393.db2.gz IPFBWXLDSUXYTQ-LLVKDONJSA-N -1 1 291.351 1.685 20 0 CDADMM CCOC(=O)c1cn(CN2CC[C@](C)(C(=O)[O-])C2)nc1C ZINC000829890469 601891688 /nfs/dbraw/zinc/89/16/88/601891688.db2.gz TZGPQIPCVVJNKE-AWEZNQCLSA-N -1 1 295.339 1.122 20 0 CDADMM CC[C@H](C)NC(=O)[C@@H](C)N1CCSC[C@H]1CC(=O)[O-] ZINC000251661338 601921295 /nfs/dbraw/zinc/92/12/95/601921295.db2.gz BUUUHEKMTYHAQP-HBNTYKKESA-N -1 1 288.413 1.182 20 0 CDADMM C[C@@]1(C(=O)[O-])CCN([C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000828020788 601929930 /nfs/dbraw/zinc/92/99/30/601929930.db2.gz WHKLQPMYICJPRA-SMDDNHRTSA-N -1 1 280.299 1.149 20 0 CDADMM COC[C@H](C)SCc1ccnc(-c2nnn[n-]2)c1 ZINC000826150048 607535737 /nfs/dbraw/zinc/53/57/37/607535737.db2.gz VAYRJEOGFOZSAX-QMMMGPOBSA-N -1 1 265.342 1.530 20 0 CDADMM COC[C@H](C)SCc1ccnc(-c2nn[n-]n2)c1 ZINC000826150048 607535740 /nfs/dbraw/zinc/53/57/40/607535740.db2.gz VAYRJEOGFOZSAX-QMMMGPOBSA-N -1 1 265.342 1.530 20 0 CDADMM C[C@@H](CN1CCC(CCC(=O)[O-])CC1)CS(C)(=O)=O ZINC000705558246 601963017 /nfs/dbraw/zinc/96/30/17/601963017.db2.gz WQLHEUFSPJFFAT-NSHDSACASA-N -1 1 291.413 1.244 20 0 CDADMM C[C@H](CN(C(=O)[C@@H]1CCCc2[nH]ncc21)C1CC1)C(=O)[O-] ZINC000827433300 602017796 /nfs/dbraw/zinc/01/77/96/602017796.db2.gz XFWGSQLIJHXDTC-MWLCHTKSSA-N -1 1 291.351 1.541 20 0 CDADMM CC[C@H](C(=O)Nc1nc(C)c(C(=O)[O-])s1)N(C)C ZINC000828587357 602148169 /nfs/dbraw/zinc/14/81/69/602148169.db2.gz QLPPSAHRQFAZGK-SSDOTTSWSA-N -1 1 271.342 1.428 20 0 CDADMM CC(C)C[C@H]1CCCN(Cn2cc(C(=O)[O-])nn2)C1 ZINC000826831923 602303631 /nfs/dbraw/zinc/30/36/31/602303631.db2.gz IRVQUEOJDGFCAB-LLVKDONJSA-N -1 1 266.345 1.692 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1O ZINC000826467137 607596979 /nfs/dbraw/zinc/59/69/79/607596979.db2.gz IOPMSXMESRYCQV-UHFFFAOYSA-N -1 1 297.274 1.324 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1O ZINC000826467137 607596980 /nfs/dbraw/zinc/59/69/80/607596980.db2.gz IOPMSXMESRYCQV-UHFFFAOYSA-N -1 1 297.274 1.324 20 0 CDADMM Cc1cc(=O)[n-]c(C[NH2+]C2(C(=O)[O-])CCCCCC2)n1 ZINC000833747284 604481699 /nfs/dbraw/zinc/48/16/99/604481699.db2.gz VAWIMGMMKLNXPG-UHFFFAOYSA-N -1 1 279.340 1.758 20 0 CDADMM C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)[C@H](C)CN1C ZINC000833617713 604579033 /nfs/dbraw/zinc/57/90/33/604579033.db2.gz GIBAFJDMTRJIRX-FDYHWXHSSA-N -1 1 282.384 1.428 20 0 CDADMM O=C([O-])C[C@@H]1CCCN1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000833212454 604691146 /nfs/dbraw/zinc/69/11/46/604691146.db2.gz ZDWPURKRLCRANC-WDEREUQCSA-N -1 1 292.339 1.436 20 0 CDADMM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000833180278 604746575 /nfs/dbraw/zinc/74/65/75/604746575.db2.gz AQYZPFAFCKGRCB-IMJSIDKUSA-N -1 1 263.175 1.088 20 0 CDADMM CC[C@H](C)[C@H](NC(=O)CN(C)[C@@H]1CCSC1)C(=O)[O-] ZINC000820437660 604924269 /nfs/dbraw/zinc/92/42/69/604924269.db2.gz GWUTYPYMEYQNGR-UMNHJUIQSA-N -1 1 288.413 1.039 20 0 CDADMM CN1CCC[C@@H](NC(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000830935472 604946832 /nfs/dbraw/zinc/94/68/32/604946832.db2.gz ZMQCAZZRVBEAPN-SNVBAGLBSA-N -1 1 280.299 1.348 20 0 CDADMM COCc1cccc(CN2CC[C@](F)(C(=O)[O-])C2)c1 ZINC000833726038 604975644 /nfs/dbraw/zinc/97/56/44/604975644.db2.gz OMXNCYUMEJVOHF-CQSZACIVSA-N -1 1 267.300 1.832 20 0 CDADMM Cc1ncc2c(n1)CCC[C@@H]2N[C@H](C(=O)[O-])c1cccnc1 ZINC000833009074 605002606 /nfs/dbraw/zinc/00/26/06/605002606.db2.gz AGBRASVQEJDQJY-GJZGRUSLSA-N -1 1 298.346 1.973 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCC1CCC1 ZINC000833621927 605054337 /nfs/dbraw/zinc/05/43/37/605054337.db2.gz BZEIIYVUVIZMPR-GFCCVEGCSA-N -1 1 297.399 1.367 20 0 CDADMM C[C@@H]1C[C@H](N[C@H](C(=O)[O-])C2CC2)C(=O)N1c1ccccc1 ZINC000833601565 605066506 /nfs/dbraw/zinc/06/65/06/605066506.db2.gz WAEVCCJWYYQKIE-SWHYSGLUSA-N -1 1 288.347 1.633 20 0 CDADMM CC1(C)CCC(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])CC1 ZINC000833556539 605076038 /nfs/dbraw/zinc/07/60/38/605076038.db2.gz BPZMNRRAOIGIOP-LBPRGKRZSA-N -1 1 293.367 1.738 20 0 CDADMM C[C@H]1CC[C@H](CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])C1 ZINC000833602691 605076093 /nfs/dbraw/zinc/07/60/93/605076093.db2.gz KKZHVFJQVYXDAQ-NHCYSSNCSA-N -1 1 279.340 1.348 20 0 CDADMM CCC(CC)CC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833643147 605100451 /nfs/dbraw/zinc/10/04/51/605100451.db2.gz ZQJPMDDTESQUQC-LBPRGKRZSA-N -1 1 284.400 1.820 20 0 CDADMM CC(C)(C)OC(=O)[C@H]1CCN(Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC000833432760 605109468 /nfs/dbraw/zinc/10/94/68/605109468.db2.gz RJJJXHJRTXYZKS-JTQLQIEISA-N -1 1 294.351 1.877 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000833626328 605209486 /nfs/dbraw/zinc/20/94/86/605209486.db2.gz ZVQMDKWJEZXPAM-CIQGVGRVSA-N -1 1 280.368 1.040 20 0 CDADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c(C)o1 ZINC000833741909 605259561 /nfs/dbraw/zinc/25/95/61/605259561.db2.gz BVBKOYDQONXKJD-SNVBAGLBSA-N -1 1 294.351 1.517 20 0 CDADMM CC(C)c1nnc(NC(=O)c2cc(C(=O)[O-])no2)s1 ZINC000833512224 605262039 /nfs/dbraw/zinc/26/20/39/605262039.db2.gz QPDFDEBJVGFQBH-UHFFFAOYSA-N -1 1 282.281 1.600 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CN2CC3(C2)CC(F)(F)C3)O1 ZINC000833585176 605379090 /nfs/dbraw/zinc/37/90/90/605379090.db2.gz VHLSUVCRKXWXBX-SECBINFHSA-N -1 1 273.279 1.865 20 0 CDADMM C1=C[C@H](CCCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001602746509 1175384296 /nfs/dbraw/zinc/38/42/96/1175384296.db2.gz OGQDUAUFJPKVBG-JTQLQIEISA-N -1 1 271.328 1.815 20 0 CDADMM C1=C[C@H](CCCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001602746509 1175384300 /nfs/dbraw/zinc/38/43/00/1175384300.db2.gz OGQDUAUFJPKVBG-JTQLQIEISA-N -1 1 271.328 1.815 20 0 CDADMM C[C@@H](C(=O)[O-])N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000819895548 605854654 /nfs/dbraw/zinc/85/46/54/605854654.db2.gz MOLQJOUAHNBVIC-JTQLQIEISA-N -1 1 289.310 1.843 20 0 CDADMM Cc1cncc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000822399365 606188662 /nfs/dbraw/zinc/18/86/62/606188662.db2.gz DVFBWJSGQZFSNP-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1cncc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000822399365 606188661 /nfs/dbraw/zinc/18/86/61/606188661.db2.gz DVFBWJSGQZFSNP-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM CC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820876898 606485797 /nfs/dbraw/zinc/48/57/97/606485797.db2.gz VZEMQLGKNXOVHU-LURJTMIESA-N -1 1 251.315 1.457 20 0 CDADMM CC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820876898 606485799 /nfs/dbraw/zinc/48/57/99/606485799.db2.gz VZEMQLGKNXOVHU-LURJTMIESA-N -1 1 251.315 1.457 20 0 CDADMM CCn1nccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821568298 606493389 /nfs/dbraw/zinc/49/33/89/606493389.db2.gz PDAAFFMKPOASCV-UHFFFAOYSA-N -1 1 289.324 1.397 20 0 CDADMM CCn1nccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821568298 606493390 /nfs/dbraw/zinc/49/33/90/606493390.db2.gz PDAAFFMKPOASCV-UHFFFAOYSA-N -1 1 289.324 1.397 20 0 CDADMM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000819988128 606572154 /nfs/dbraw/zinc/57/21/54/606572154.db2.gz UBUXVBNBYGMOMX-UHFFFAOYSA-N -1 1 277.353 1.847 20 0 CDADMM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000819988128 606572155 /nfs/dbraw/zinc/57/21/55/606572155.db2.gz UBUXVBNBYGMOMX-UHFFFAOYSA-N -1 1 277.353 1.847 20 0 CDADMM Cc1nc(Cn2cccc(-c3nn[n-]n3)c2=O)sc1C ZINC000822449969 606706810 /nfs/dbraw/zinc/70/68/10/606706810.db2.gz XKKQQCOGFNLLPL-UHFFFAOYSA-N -1 1 288.336 1.150 20 0 CDADMM C[C@H]1OCC[C@@H]1Sc1cccc(-c2nnn[n-]2)n1 ZINC000825021455 607902857 /nfs/dbraw/zinc/90/28/57/607902857.db2.gz QTWGHWPNFIMAAL-APPZFPTMSA-N -1 1 263.326 1.531 20 0 CDADMM C[C@H]1OCC[C@@H]1Sc1cccc(-c2nn[n-]n2)n1 ZINC000825021455 607902858 /nfs/dbraw/zinc/90/28/58/607902858.db2.gz QTWGHWPNFIMAAL-APPZFPTMSA-N -1 1 263.326 1.531 20 0 CDADMM c1ccc(C2(CNc3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC000826520836 607989012 /nfs/dbraw/zinc/98/90/12/607989012.db2.gz SKVDMSGIAUQKST-UHFFFAOYSA-N -1 1 293.334 1.800 20 0 CDADMM c1ccc(C2(CNc3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC000826520836 607989013 /nfs/dbraw/zinc/98/90/13/607989013.db2.gz SKVDMSGIAUQKST-UHFFFAOYSA-N -1 1 293.334 1.800 20 0 CDADMM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)CCc1cnc[nH]1 ZINC000909664065 620696212 /nfs/dbraw/zinc/69/62/12/620696212.db2.gz DKJMIRBXBFJJCP-CYBMUJFWSA-N -1 1 293.367 1.882 20 0 CDADMM c1cn(CCCc2ccccc2)c(-c2nnn[n-]2)n1 ZINC000826521527 608013930 /nfs/dbraw/zinc/01/39/30/608013930.db2.gz QFDWTRYSWCGYRB-UHFFFAOYSA-N -1 1 254.297 1.696 20 0 CDADMM c1cn(CCCc2ccccc2)c(-c2nn[n-]n2)n1 ZINC000826521527 608013931 /nfs/dbraw/zinc/01/39/31/608013931.db2.gz QFDWTRYSWCGYRB-UHFFFAOYSA-N -1 1 254.297 1.696 20 0 CDADMM C[C@]1(O)CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000824843615 608097747 /nfs/dbraw/zinc/09/77/47/608097747.db2.gz IBSOAZIRUFKTSJ-HNNXBMFYSA-N -1 1 296.334 1.376 20 0 CDADMM C[C@]1(O)CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000824843615 608097748 /nfs/dbraw/zinc/09/77/48/608097748.db2.gz IBSOAZIRUFKTSJ-HNNXBMFYSA-N -1 1 296.334 1.376 20 0 CDADMM CO[C@@]1(C(=O)Nc2nc(Cl)ccc2[O-])CCSC1 ZINC000897530722 620928756 /nfs/dbraw/zinc/92/87/56/620928756.db2.gz NECQMRNIACNITD-NSHDSACASA-N -1 1 288.756 1.901 20 0 CDADMM CCOc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000825639133 608405006 /nfs/dbraw/zinc/40/50/06/608405006.db2.gz RFHNCUINFCONOT-UHFFFAOYSA-N -1 1 297.322 1.668 20 0 CDADMM CCOc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000825639133 608405009 /nfs/dbraw/zinc/40/50/09/608405009.db2.gz RFHNCUINFCONOT-UHFFFAOYSA-N -1 1 297.322 1.668 20 0 CDADMM C[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000824947775 608406727 /nfs/dbraw/zinc/40/67/27/608406727.db2.gz QVFXHHLBFRZWHD-VIFPVBQESA-N -1 1 259.317 1.283 20 0 CDADMM C[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000824947775 608406729 /nfs/dbraw/zinc/40/67/29/608406729.db2.gz QVFXHHLBFRZWHD-VIFPVBQESA-N -1 1 259.317 1.283 20 0 CDADMM CCN(CCC(F)(F)F)c1ccc(-c2nnn[n-]2)nn1 ZINC000825420044 608407797 /nfs/dbraw/zinc/40/77/97/608407797.db2.gz ZBXGELXGDTXADC-UHFFFAOYSA-N -1 1 287.249 1.435 20 0 CDADMM CCN(CCC(F)(F)F)c1ccc(-c2nn[n-]n2)nn1 ZINC000825420044 608407799 /nfs/dbraw/zinc/40/77/99/608407799.db2.gz ZBXGELXGDTXADC-UHFFFAOYSA-N -1 1 287.249 1.435 20 0 CDADMM C[C@H](CN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC000824413853 608411164 /nfs/dbraw/zinc/41/11/64/608411164.db2.gz QTFGXASPLPELLC-LLVKDONJSA-N -1 1 295.350 1.897 20 0 CDADMM C[C@H](CN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC000824413853 608411165 /nfs/dbraw/zinc/41/11/65/608411165.db2.gz QTFGXASPLPELLC-LLVKDONJSA-N -1 1 295.350 1.897 20 0 CDADMM c1ccc(NCCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826522022 608422027 /nfs/dbraw/zinc/42/20/27/608422027.db2.gz IMKAFXVBOVOFAI-UHFFFAOYSA-N -1 1 282.311 1.181 20 0 CDADMM c1ccc(NCCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826522022 608422028 /nfs/dbraw/zinc/42/20/28/608422028.db2.gz IMKAFXVBOVOFAI-UHFFFAOYSA-N -1 1 282.311 1.181 20 0 CDADMM Cc1nc(C)c(CNc2ccc(-c3nnn[n-]3)nn2)s1 ZINC000826324515 608425596 /nfs/dbraw/zinc/42/55/96/608425596.db2.gz UZKDAKPVJQVKHL-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Cc1nc(C)c(CNc2ccc(-c3nn[n-]n3)nn2)s1 ZINC000826324515 608425598 /nfs/dbraw/zinc/42/55/98/608425598.db2.gz UZKDAKPVJQVKHL-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM c1cc(N2CCC[C@H]3CCC[C@@H]32)nnc1-c1nnn[n-]1 ZINC000826517273 608425621 /nfs/dbraw/zinc/42/56/21/608425621.db2.gz WTNFCYOZLXSRLU-KOLCDFICSA-N -1 1 271.328 1.426 20 0 CDADMM c1cc(N2CCC[C@H]3CCC[C@@H]32)nnc1-c1nn[n-]n1 ZINC000826517273 608425623 /nfs/dbraw/zinc/42/56/23/608425623.db2.gz WTNFCYOZLXSRLU-KOLCDFICSA-N -1 1 271.328 1.426 20 0 CDADMM C[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)[C@H]1c1ccccc1 ZINC000824991683 608425893 /nfs/dbraw/zinc/42/58/93/608425893.db2.gz FCGFGVCADDYAHG-IINYFYTJSA-N -1 1 293.334 1.854 20 0 CDADMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)[C@H]1c1ccccc1 ZINC000824991683 608425894 /nfs/dbraw/zinc/42/58/94/608425894.db2.gz FCGFGVCADDYAHG-IINYFYTJSA-N -1 1 293.334 1.854 20 0 CDADMM CCC[C@@H](O)CNc1nc(-c2nn[n-]n2)ccc1C ZINC000825247081 608543584 /nfs/dbraw/zinc/54/35/84/608543584.db2.gz AECFFNGHGAPTNP-SECBINFHSA-N -1 1 262.317 1.143 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC1CCOCC1 ZINC000826280539 608544282 /nfs/dbraw/zinc/54/42/82/608544282.db2.gz FXHTULFQSAKEOO-UHFFFAOYSA-N -1 1 260.301 1.161 20 0 CDADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CC[C@@H](O)[C@H](F)C1 ZINC000890683900 617268363 /nfs/dbraw/zinc/26/83/63/617268363.db2.gz YCXBOYSTMXWCTL-ZYHUDNBSSA-N -1 1 287.718 1.519 20 0 CDADMM CC(C)OC(=O)C[N-]S(=O)(=O)c1cccc(F)c1F ZINC000104103429 617322545 /nfs/dbraw/zinc/32/25/45/617322545.db2.gz PDTLFXAAUUMYPU-UHFFFAOYSA-N -1 1 293.291 1.195 20 0 CDADMM Cc1cnc(C(=O)NCCc2cccnc2C)c([O-])c1 ZINC000890833392 617340949 /nfs/dbraw/zinc/34/09/49/617340949.db2.gz QYYRNVJBHOMRJC-UHFFFAOYSA-N -1 1 271.320 1.772 20 0 CDADMM CC[C@H](C)CONc1nc(=O)c2cnn(C)c2[n-]1 ZINC000813622505 617363489 /nfs/dbraw/zinc/36/34/89/617363489.db2.gz QRADMNJWQYMKMX-ZETCQYMHSA-N -1 1 251.290 1.459 20 0 CDADMM COCc1nc(N[C@@H](C)c2ccccn2)cc(=O)[n-]1 ZINC000891493879 617442784 /nfs/dbraw/zinc/44/27/84/617442784.db2.gz ZBUSPSXIHOKHBV-VIFPVBQESA-N -1 1 260.297 1.897 20 0 CDADMM CC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000946337556 613976028 /nfs/dbraw/zinc/97/60/28/613976028.db2.gz ZVCPAXTXXNYBJJ-NWDGAFQWSA-N -1 1 291.351 1.212 20 0 CDADMM O=C(NOCc1cccnc1)c1ccc([O-])cc1F ZINC000154993328 617460953 /nfs/dbraw/zinc/46/09/53/617460953.db2.gz FRGCYPDAQQOKOO-UHFFFAOYSA-N -1 1 262.240 1.788 20 0 CDADMM CSC[C@H](C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891620955 617508684 /nfs/dbraw/zinc/50/86/84/617508684.db2.gz CQUBLFFPOKLYKL-QMMMGPOBSA-N -1 1 281.381 1.999 20 0 CDADMM CC[C@H](OC)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891625208 617511602 /nfs/dbraw/zinc/51/16/02/617511602.db2.gz XEFPPPHFTBQYGE-JTQLQIEISA-N -1 1 265.313 1.425 20 0 CDADMM O=S(=O)([N-]CCC1CCC1)c1c[nH]nc1C(F)(F)F ZINC000866945106 620717329 /nfs/dbraw/zinc/71/73/29/620717329.db2.gz AIICMWSYRXGJKT-UHFFFAOYSA-N -1 1 297.302 1.897 20 0 CDADMM CC(C)Cn1ncc(C(=O)N(C)c2nn[n-]n2)c1C1CC1 ZINC000892954876 617978226 /nfs/dbraw/zinc/97/82/26/617978226.db2.gz UHTQCTLXFQJSQK-UHFFFAOYSA-N -1 1 289.343 1.206 20 0 CDADMM O=C(N[C@@H]1CC12CC(O)C2)c1ccc([O-])c(F)c1 ZINC000888957190 617911560 /nfs/dbraw/zinc/91/15/60/617911560.db2.gz MQUQDJMPNLJUPP-UHLWVNKISA-N -1 1 251.257 1.175 20 0 CDADMM COCc1nc(N2CC[C@@H](C)[C@@H](C)C2)cc(=O)[n-]1 ZINC000893056979 618108022 /nfs/dbraw/zinc/10/80/22/618108022.db2.gz SEKZROCHEQPLHE-ZJUUUORDSA-N -1 1 251.330 1.811 20 0 CDADMM COCc1nc(N[C@@H](C)[C@@H]2CCCOC2)cc(=O)[n-]1 ZINC000893110467 618184324 /nfs/dbraw/zinc/18/43/24/618184324.db2.gz JFDZFUDZMNKVNC-VHSXEESVSA-N -1 1 267.329 1.556 20 0 CDADMM CCC[C@H](CNc1cc(=O)[n-]c(COC)n1)OC ZINC000894015907 618246821 /nfs/dbraw/zinc/24/68/21/618246821.db2.gz CZCFVUJPOKGACU-SECBINFHSA-N -1 1 255.318 1.556 20 0 CDADMM C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH]ncc32)C[C@H]1CC(=O)[O-] ZINC000910857045 618546349 /nfs/dbraw/zinc/54/63/49/618546349.db2.gz CXEGKZXCUQDLPJ-GMTAPVOTSA-N -1 1 291.351 1.399 20 0 CDADMM C[C@@H]1CN(C(=O)c2cccc3c[nH]nc32)C[C@H]1CC(=O)[O-] ZINC000910863864 618551951 /nfs/dbraw/zinc/55/19/51/618551951.db2.gz RRKYMYHBWVHNSS-MWLCHTKSSA-N -1 1 287.319 1.746 20 0 CDADMM COCc1nc(N2CC[C@H](c3cccnc3)C2)cc(=O)[n-]1 ZINC000894346079 618804880 /nfs/dbraw/zinc/80/48/80/618804880.db2.gz GGDPVFBHAQAIQV-LBPRGKRZSA-N -1 1 286.335 1.718 20 0 CDADMM COCc1nc(N[C@H](C)Cc2ccccn2)cc(=O)[n-]1 ZINC000894432629 618884436 /nfs/dbraw/zinc/88/44/36/618884436.db2.gz RWEIEQBWTCTARZ-SNVBAGLBSA-N -1 1 274.324 1.767 20 0 CDADMM COCc1nc(NCCC2CC(OC)C2)cc(=O)[n-]1 ZINC000894476984 618909981 /nfs/dbraw/zinc/90/99/81/618909981.db2.gz VHGCRAGRZUUJFP-UHFFFAOYSA-N -1 1 267.329 1.556 20 0 CDADMM COc1cc(C(=O)N[C@H]2CC23CC(O)C3)cc(Cl)c1[O-] ZINC000888970930 619130422 /nfs/dbraw/zinc/13/04/22/619130422.db2.gz BMRYPJXDSQIYTJ-PGMTZQPISA-N -1 1 297.738 1.697 20 0 CDADMM C[C@H](C(=O)[N-]OCc1ccccn1)N1CCSCC1 ZINC000909541553 620264524 /nfs/dbraw/zinc/26/45/24/620264524.db2.gz FHOLKSVLTCVWBC-LLVKDONJSA-N -1 1 281.381 1.067 20 0 CDADMM COC(=O)c1ccc(C(=O)O[C@H](C)C(=O)OC(C)(C)C)[n-]1 ZINC000796343749 620294850 /nfs/dbraw/zinc/29/48/50/620294850.db2.gz HQUXJVZULZJRNQ-MRVPVSSYSA-N -1 1 297.307 1.688 20 0 CDADMM CC/C(C)=C\C(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F ZINC000869531356 620381755 /nfs/dbraw/zinc/38/17/55/620381755.db2.gz HVJSXJXLYCYROC-VURMDHGXSA-N -1 1 295.257 1.524 20 0 CDADMM CC1(C)CCC[C@@H]1NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000909581742 620458168 /nfs/dbraw/zinc/45/81/68/620458168.db2.gz BTKPDANJIZSHKE-NEPJUHHUSA-N -1 1 282.384 1.478 20 0 CDADMM C[C@@H](NC(=O)c1[nH]nc2c1C[C@H](C)CC2)[C@H](C)C(=O)[O-] ZINC000909651494 620549677 /nfs/dbraw/zinc/54/96/77/620549677.db2.gz MPTWRFZUEWUCQW-HRDYMLBCSA-N -1 1 279.340 1.374 20 0 CDADMM CCC[C@@H]1CCC[C@H]1C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898755194 621860529 /nfs/dbraw/zinc/86/05/29/621860529.db2.gz NZQXFUNYGHJQFF-NXEZZACHSA-N -1 1 279.340 1.720 20 0 CDADMM CC[C@@H](C)[C@@H](C)C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898755960 621860821 /nfs/dbraw/zinc/86/08/21/621860821.db2.gz GANCPIAIFNDDGV-HTQZYQBOSA-N -1 1 253.302 1.186 20 0 CDADMM O=C(CC1=CCCCC1)NCc1nc([O-])cc(=O)[nH]1 ZINC000898751259 621864299 /nfs/dbraw/zinc/86/42/99/621864299.db2.gz LFKJIMSHZNYKNR-UHFFFAOYSA-N -1 1 263.297 1.395 20 0 CDADMM C[C@@H]1CCC[C@@H](C(=O)NCc2nc([O-])cc(=O)[nH]2)C1 ZINC000898752879 621864648 /nfs/dbraw/zinc/86/46/48/621864648.db2.gz AUBUQTJDDAMVAL-RKDXNWHRSA-N -1 1 265.313 1.330 20 0 CDADMM O=C(c1cncc([O-])c1)N1CCC[C@H](c2ncccn2)C1 ZINC000899528163 622300298 /nfs/dbraw/zinc/30/02/98/622300298.db2.gz OTIUCGLQQJFUFS-NSHDSACASA-N -1 1 284.319 1.597 20 0 CDADMM CN(C)c1ncccc1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900321903 622890906 /nfs/dbraw/zinc/89/09/06/622890906.db2.gz CUIJPNPUYVEUQP-UHFFFAOYSA-N -1 1 299.334 1.773 20 0 CDADMM Cc1cccnc1CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900588141 623263625 /nfs/dbraw/zinc/26/36/25/623263625.db2.gz VKUWANCPZHLONI-UHFFFAOYSA-N -1 1 284.319 1.693 20 0 CDADMM CCN(CC1CC1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900675453 623361824 /nfs/dbraw/zinc/36/18/24/623361824.db2.gz WVIJSBWFOZNJQY-UHFFFAOYSA-N -1 1 261.325 1.932 20 0 CDADMM COC(C)(C)C[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900844114 623559334 /nfs/dbraw/zinc/55/93/34/623559334.db2.gz RBWDNOBZRKAFHW-VIFPVBQESA-N -1 1 293.367 1.993 20 0 CDADMM COC[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)C1CC1 ZINC000901176589 623961434 /nfs/dbraw/zinc/96/14/34/623961434.db2.gz JLVKZVVKTRWRLM-NSHDSACASA-N -1 1 277.324 1.214 20 0 CDADMM CCCc1cc(=O)[n-]c(SCCNC(=O)C2CC2)n1 ZINC000901382062 624213837 /nfs/dbraw/zinc/21/38/37/624213837.db2.gz WUFJUQQNXFSAQP-UHFFFAOYSA-N -1 1 281.381 1.753 20 0 CDADMM C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000901448589 624259581 /nfs/dbraw/zinc/25/95/81/624259581.db2.gz JVJDJPZXNFAUEZ-WDEREUQCSA-N -1 1 279.340 1.302 20 0 CDADMM O=C([O-])CC1(NCc2cnn(-c3ccccc3)n2)CC1 ZINC000901479658 624269604 /nfs/dbraw/zinc/26/96/04/624269604.db2.gz HKBOITDCLKZWRM-UHFFFAOYSA-N -1 1 272.308 1.364 20 0 CDADMM CC[C@@H](NC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C)C(=O)[O-] ZINC000901470093 624286144 /nfs/dbraw/zinc/28/61/44/624286144.db2.gz XYMNLFGMALLWQK-NMLBEHRDSA-N -1 1 265.313 1.055 20 0 CDADMM C[C@]1(C(=O)[O-])CCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000901573655 624356147 /nfs/dbraw/zinc/35/61/47/624356147.db2.gz CAQDZYPBVNLFFW-AWEZNQCLSA-N -1 1 273.292 1.500 20 0 CDADMM C[C@H](CN(C)Cc1cnnn1-c1ccccc1)C(=O)[O-] ZINC000901599628 624366267 /nfs/dbraw/zinc/36/62/67/624366267.db2.gz YDTXMEWNKPLWAH-LLVKDONJSA-N -1 1 274.324 1.420 20 0 CDADMM COCCn1c(=O)cc([O-])nc1SCC(=O)C1(C)CC1 ZINC000901652459 624393429 /nfs/dbraw/zinc/39/34/29/624393429.db2.gz IMQMEZHZHNFMMK-UHFFFAOYSA-N -1 1 298.364 1.057 20 0 CDADMM O=C([O-])/C=C/c1ccc(CNCCOCC2CC2)o1 ZINC000902187422 624521229 /nfs/dbraw/zinc/52/12/29/624521229.db2.gz FQZBOWIKQGGKOZ-AATRIKPKSA-N -1 1 265.309 1.894 20 0 CDADMM Cc1oc(C(=O)[O-])cc1CN[C@H]1CC(=O)N(CC2CC2)C1 ZINC000902344669 624675868 /nfs/dbraw/zinc/67/58/68/624675868.db2.gz YKPQIDZZRUOCTP-LBPRGKRZSA-N -1 1 292.335 1.387 20 0 CDADMM CO[C@H](CNCc1cc(C(=O)[O-])no1)C(C)(C)C ZINC000902366243 624698320 /nfs/dbraw/zinc/69/83/20/624698320.db2.gz ACJSBMBAPNTFBQ-SNVBAGLBSA-N -1 1 256.302 1.524 20 0 CDADMM COCCO[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])oc2C)C1 ZINC000902421241 624788639 /nfs/dbraw/zinc/78/86/39/624788639.db2.gz YJBNPGXGPLIGIJ-LBPRGKRZSA-N -1 1 283.324 1.524 20 0 CDADMM COCCO[C@H]1CCN(Cc2cc(C(=O)[O-])oc2C)C1 ZINC000902421241 624788641 /nfs/dbraw/zinc/78/86/41/624788641.db2.gz YJBNPGXGPLIGIJ-LBPRGKRZSA-N -1 1 283.324 1.524 20 0 CDADMM C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000902666094 625185604 /nfs/dbraw/zinc/18/56/04/625185604.db2.gz BFOYVXOVLMHXSN-PEFMBERDSA-N -1 1 277.324 1.055 20 0 CDADMM COC(=O)[C@]1(OC)CCN(Cc2ccc(C(=O)[O-])s2)C1 ZINC000903693672 626055282 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ZTEXHDRRTLTJDP-JGVFFNPUSA-N -1 1 259.317 1.200 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2C[C@@H](C)C[C@H]2C)n1 ZINC001606020467 1163749003 /nfs/dbraw/zinc/74/90/03/1163749003.db2.gz ZTEXHDRRTLTJDP-JGVFFNPUSA-N -1 1 259.317 1.200 20 0 CDADMM Cc1nc(CNc2nc(-c3nn[n-]n3)c(Cl)s2)no1 ZINC001606044112 1163753738 /nfs/dbraw/zinc/75/37/38/1163753738.db2.gz MWMVNFMEWPVOAZ-UHFFFAOYSA-N -1 1 298.719 1.280 20 0 CDADMM CN(Cc1ccco1)C(=O)CN[C@@](C)(CCF)C(=O)[O-] ZINC001606171108 1163795740 /nfs/dbraw/zinc/79/57/40/1163795740.db2.gz WFEXNLTVIBLNKW-ZDUSSCGKSA-N -1 1 286.303 1.031 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC1(C)CCOCC1 ZINC001606167609 1163797718 /nfs/dbraw/zinc/79/77/18/1163797718.db2.gz RDNRNSIXEANMBM-UHFFFAOYSA-N -1 1 291.311 1.067 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC1(C)CCOCC1 ZINC001606167609 1163797723 /nfs/dbraw/zinc/79/77/23/1163797723.db2.gz RDNRNSIXEANMBM-UHFFFAOYSA-N -1 1 291.311 1.067 20 0 CDADMM Clc1ccnc(Cn2ccnc2-c2nnn[n-]2)c1 ZINC001606196959 1163802084 /nfs/dbraw/zinc/80/20/84/1163802084.db2.gz UNWOVDKEMWBNHA-UHFFFAOYSA-N -1 1 261.676 1.160 20 0 CDADMM Clc1ccnc(Cn2ccnc2-c2nn[n-]n2)c1 ZINC001606196959 1163802089 /nfs/dbraw/zinc/80/20/89/1163802089.db2.gz UNWOVDKEMWBNHA-UHFFFAOYSA-N -1 1 261.676 1.160 20 0 CDADMM Clc1ccc(CNc2ncncc2-c2nn[n-]n2)cc1 ZINC001606190487 1163802531 /nfs/dbraw/zinc/80/25/31/1163802531.db2.gz DEKIFCPAKOPDDI-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM O=C(NC12CCC(CC1)CC2)c1ccc(-c2nnn[n-]2)o1 ZINC001606645025 1163944544 /nfs/dbraw/zinc/94/45/44/1163944544.db2.gz KVFMUDDCJCQEBY-UHFFFAOYSA-N -1 1 287.323 1.912 20 0 CDADMM O=C(NC12CCC(CC1)CC2)c1ccc(-c2nn[n-]n2)o1 ZINC001606645025 1163944549 /nfs/dbraw/zinc/94/45/49/1163944549.db2.gz KVFMUDDCJCQEBY-UHFFFAOYSA-N -1 1 287.323 1.912 20 0 CDADMM CO[C@@H](CN(C)[C@H](COC1CCC1)C(=O)[O-])C1CC1 ZINC001606668080 1163953775 /nfs/dbraw/zinc/95/37/75/1163953775.db2.gz HMEXSJGEIWYWAF-OLZOCXBDSA-N -1 1 271.357 1.366 20 0 CDADMM O=C(NCC1(C2CC2)CC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606704498 1163964047 /nfs/dbraw/zinc/96/40/47/1163964047.db2.gz GWGHGHMGFGQVOI-UHFFFAOYSA-N -1 1 299.338 1.573 20 0 CDADMM O=C(NCC1(C2CC2)CC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606704498 1163964053 /nfs/dbraw/zinc/96/40/53/1163964053.db2.gz GWGHGHMGFGQVOI-UHFFFAOYSA-N -1 1 299.338 1.573 20 0 CDADMM O=C(NCC1=CCCCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606716001 1163970346 /nfs/dbraw/zinc/97/03/46/1163970346.db2.gz HCMGDMWZTSCPON-UHFFFAOYSA-N -1 1 284.323 1.492 20 0 CDADMM O=C(NCC1=CCCCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606716001 1163970350 /nfs/dbraw/zinc/97/03/50/1163970350.db2.gz HCMGDMWZTSCPON-UHFFFAOYSA-N -1 1 284.323 1.492 20 0 CDADMM O=C(NCC1CCC(F)CC1)c1ccc(-c2nnn[n-]2)o1 ZINC001606722384 1163971410 /nfs/dbraw/zinc/97/14/10/1163971410.db2.gz IHDCILHFMSMMQA-UHFFFAOYSA-N -1 1 293.302 1.718 20 0 CDADMM O=C(NCC1CCC(F)CC1)c1ccc(-c2nn[n-]n2)o1 ZINC001606722384 1163971414 /nfs/dbraw/zinc/97/14/14/1163971414.db2.gz IHDCILHFMSMMQA-UHFFFAOYSA-N -1 1 293.302 1.718 20 0 CDADMM O=C(OCCCC1CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606969063 1164044031 /nfs/dbraw/zinc/04/40/31/1164044031.db2.gz WLCIHFVINGFUGF-UHFFFAOYSA-N -1 1 287.323 1.999 20 0 CDADMM O=C(OCCCC1CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606969063 1164044037 /nfs/dbraw/zinc/04/40/37/1164044037.db2.gz WLCIHFVINGFUGF-UHFFFAOYSA-N -1 1 287.323 1.999 20 0 CDADMM O=C(OCc1cccnc1)c1ccsc1-c1nnn[n-]1 ZINC001606981759 1164048030 /nfs/dbraw/zinc/04/80/30/1164048030.db2.gz DHDGAVBOCMMXEX-UHFFFAOYSA-N -1 1 287.304 1.680 20 0 CDADMM O=C(OCc1cccnc1)c1ccsc1-c1nn[n-]n1 ZINC001606981759 1164048039 /nfs/dbraw/zinc/04/80/39/1164048039.db2.gz DHDGAVBOCMMXEX-UHFFFAOYSA-N -1 1 287.304 1.680 20 0 CDADMM O=C1OCC[C@@H]1Sc1cccc(F)c1-c1nn[n-]n1 ZINC001607055133 1164068529 /nfs/dbraw/zinc/06/85/29/1164068529.db2.gz YCPVECVVFDPYDX-QMMMGPOBSA-N -1 1 280.284 1.413 20 0 CDADMM c1c[nH]c([C@@H]2CCCN2Cc2ccc(-c3nnn[n-]3)o2)n1 ZINC001607114923 1164093033 /nfs/dbraw/zinc/09/30/33/1164093033.db2.gz WAFVUBOVNZWCFP-JTQLQIEISA-N -1 1 285.311 1.520 20 0 CDADMM c1c[nH]c([C@@H]2CCCN2Cc2ccc(-c3nn[n-]n3)o2)n1 ZINC001607114923 1164093040 /nfs/dbraw/zinc/09/30/40/1164093040.db2.gz WAFVUBOVNZWCFP-JTQLQIEISA-N -1 1 285.311 1.520 20 0 CDADMM c1cc(CN2CCCCCO2)cc(-c2nnn[n-]2)n1 ZINC001607118658 1164101841 /nfs/dbraw/zinc/10/18/41/1164101841.db2.gz NJXLOPYNHSFDDS-UHFFFAOYSA-N -1 1 260.301 1.179 20 0 CDADMM c1cc(CN2CCCCCO2)cc(-c2nn[n-]n2)n1 ZINC001607118658 1164101845 /nfs/dbraw/zinc/10/18/45/1164101845.db2.gz NJXLOPYNHSFDDS-UHFFFAOYSA-N -1 1 260.301 1.179 20 0 CDADMM c1cc(N2CCO[C@@H](C3CCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001607120262 1164104091 /nfs/dbraw/zinc/10/40/91/1164104091.db2.gz WZOFAUOGEVCFLV-CYBMUJFWSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(N2CCO[C@@H](C3CCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001607120262 1164104093 /nfs/dbraw/zinc/10/40/93/1164104093.db2.gz WZOFAUOGEVCFLV-CYBMUJFWSA-N -1 1 286.339 1.267 20 0 CDADMM c1ccc([C@H]2C[C@@H]2Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001607129925 1164110429 /nfs/dbraw/zinc/11/04/29/1164110429.db2.gz WZAVNBGHLJXUTP-MNOVXSKESA-N -1 1 279.307 1.047 20 0 CDADMM c1[nH]nc2ccc(Sc3nccnc3-c3nn[n-]n3)cc12 ZINC001607133455 1164113217 /nfs/dbraw/zinc/11/32/17/1164113217.db2.gz GGGISSRKFBFVCK-UHFFFAOYSA-N -1 1 296.319 1.684 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@@H]2CC23CCOCC3)c1 ZINC001607133229 1164113242 /nfs/dbraw/zinc/11/32/42/1164113242.db2.gz AUCNJQSNLCAOIE-SNVBAGLBSA-N -1 1 272.312 1.243 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@@H]2CC23CCOCC3)c1 ZINC001607133229 1164113245 /nfs/dbraw/zinc/11/32/45/1164113245.db2.gz AUCNJQSNLCAOIE-SNVBAGLBSA-N -1 1 272.312 1.243 20 0 CDADMM c1csc(CN(c2ccnc(-c3nn[n-]n3)n2)C2CC2)c1 ZINC001607136911 1164116210 /nfs/dbraw/zinc/11/62/10/1164116210.db2.gz VMOUDTPSAPBOER-UHFFFAOYSA-N -1 1 299.363 1.887 20 0 CDADMM c1cncc([C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001607136345 1164116482 /nfs/dbraw/zinc/11/64/82/1164116482.db2.gz WAEKAVWDQSXUAA-NSHDSACASA-N -1 1 294.322 1.393 20 0 CDADMM C[C@@H](NCc1ccc(C(=O)[O-])c(Cl)c1)C(=O)N(C)C ZINC001607422383 1164174705 /nfs/dbraw/zinc/17/47/05/1164174705.db2.gz SYNIHCBCRZJRNP-MRVPVSSYSA-N -1 1 284.743 1.605 20 0 CDADMM C[C@H]1CN(C(=O)[C@@H]2CCCc3[nH]ncc32)C[C@]1(C)C(=O)[O-] ZINC001607468583 1164192452 /nfs/dbraw/zinc/19/24/52/1164192452.db2.gz NUOFHYLXDQATRQ-WMFXKJRFSA-N -1 1 291.351 1.399 20 0 CDADMM Cc1cn[nH]c1C[NH+]1[C@@H](C)CC(C(=O)[O-])C[C@@H]1C ZINC001607556621 1164225339 /nfs/dbraw/zinc/22/53/39/1164225339.db2.gz RSBDMECWBLQZRV-UWVGGRQHSA-N -1 1 251.330 1.792 20 0 CDADMM Cc1cc(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)oc1C(=O)[O-] ZINC001607647940 1164257796 /nfs/dbraw/zinc/25/77/96/1164257796.db2.gz LGCNQAYLODPKGU-UISBYWKRSA-N -1 1 292.335 1.385 20 0 CDADMM Cc1nc(COC(=O)Cc2cccc(C(=O)[O-])c2)n[nH]1 ZINC001607958124 1164352864 /nfs/dbraw/zinc/35/28/64/1164352864.db2.gz AKCZUAJBZPEBHH-UHFFFAOYSA-N -1 1 275.264 1.097 20 0 CDADMM O=S(=O)([N-]c1ccn2nccc2c1)c1ccc(O)cc1 ZINC001195766130 1164402510 /nfs/dbraw/zinc/40/25/10/1164402510.db2.gz HXWCIQWHHZORQB-UHFFFAOYSA-N -1 1 289.316 1.841 20 0 CDADMM O=C([O-])[C@@H]1OCC[C@@H]1NCC(=O)Nc1cccc(Cl)c1 ZINC001608340650 1164492713 /nfs/dbraw/zinc/49/27/13/1164492713.db2.gz KNQWRUFHNGTECD-CMPLNLGQSA-N -1 1 298.726 1.110 20 0 CDADMM O=C([O-])c1cc(C(=O)N[C@H]2CCCc3cn[nH]c32)c[nH]1 ZINC001608409832 1164510839 /nfs/dbraw/zinc/51/08/39/1164510839.db2.gz AZRSWPGXNQBZGC-VIFPVBQESA-N -1 1 274.280 1.243 20 0 CDADMM O=C([O-])c1cc(NC(=O)c2cnncc2O)cc2[nH]ccc21 ZINC001608496704 1164527896 /nfs/dbraw/zinc/52/78/96/1164527896.db2.gz KNVREUQZLZEIIJ-UHFFFAOYSA-N -1 1 298.258 1.614 20 0 CDADMM O=C([O-])C1=CC[C@H](NCc2c(F)ccc(O)c2F)C1 ZINC001608586498 1164558559 /nfs/dbraw/zinc/55/85/59/1164558559.db2.gz LYUVWYAGOQAXSJ-QMMMGPOBSA-N -1 1 269.247 1.933 20 0 CDADMM O=C([O-])CC1(NC(=O)c2coc([C@@H]3CCCN3)n2)CCC1 ZINC001608686385 1164603825 /nfs/dbraw/zinc/60/38/25/1164603825.db2.gz YKHUFYPYCYOFBS-VIFPVBQESA-N -1 1 293.323 1.226 20 0 CDADMM O=C([O-])c1occc1CN1CCN(C[C@H]2CCCO2)CC1 ZINC001609006398 1164720138 /nfs/dbraw/zinc/72/01/38/1164720138.db2.gz PBMZGLJUSNRBFL-CYBMUJFWSA-N -1 1 294.351 1.274 20 0 CDADMM CC(=Cc1cnccn1)c1nc(C)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC001609060325 1164753092 /nfs/dbraw/zinc/75/30/92/1164753092.db2.gz ISEQVUJYGNURDS-FNORWQNLSA-N -1 1 296.294 1.021 20 0 CDADMM CC[C@H]1CCC[C@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001609199621 1164838285 /nfs/dbraw/zinc/83/82/85/1164838285.db2.gz AVVWFDRLYAORLE-DTWKUNHWSA-N -1 1 259.317 1.647 20 0 CDADMM CC[C@H]1CCC[C@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001609199621 1164838289 /nfs/dbraw/zinc/83/82/89/1164838289.db2.gz AVVWFDRLYAORLE-DTWKUNHWSA-N -1 1 259.317 1.647 20 0 CDADMM CCON(C)c1ccc(C(F)(F)F)c(-c2nnn[n-]2)n1 ZINC001609241581 1164863408 /nfs/dbraw/zinc/86/34/08/1164863408.db2.gz GXVRFIKLZVZHNX-UHFFFAOYSA-N -1 1 288.233 1.668 20 0 CDADMM CCON(C)c1ccc(C(F)(F)F)c(-c2nn[n-]n2)n1 ZINC001609241581 1164863412 /nfs/dbraw/zinc/86/34/12/1164863412.db2.gz GXVRFIKLZVZHNX-UHFFFAOYSA-N -1 1 288.233 1.668 20 0 CDADMM CS[C@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001609369665 1164912068 /nfs/dbraw/zinc/91/20/68/1164912068.db2.gz IMORSXFYPGTXHY-BDAKNGLRSA-N -1 1 291.384 1.743 20 0 CDADMM CS[C@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001609369665 1164912072 /nfs/dbraw/zinc/91/20/72/1164912072.db2.gz IMORSXFYPGTXHY-BDAKNGLRSA-N -1 1 291.384 1.743 20 0 CDADMM CSCC[C@@H](C)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609371139 1164912673 /nfs/dbraw/zinc/91/26/73/1164912673.db2.gz TXZHEVSROVPHND-SSDOTTSWSA-N -1 1 297.409 1.800 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(SC[C@@H]2CCCO2)n1 ZINC001609392854 1164925507 /nfs/dbraw/zinc/92/55/07/1164925507.db2.gz JXRWMDWTLXTGRJ-QMMMGPOBSA-N -1 1 278.341 1.236 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(SC[C@@H]2CCCO2)n1 ZINC001609392854 1164925512 /nfs/dbraw/zinc/92/55/12/1164925512.db2.gz JXRWMDWTLXTGRJ-QMMMGPOBSA-N -1 1 278.341 1.236 20 0 CDADMM Cc1cc(NC[C@](C)(O)C(C)C)cc(-c2nnn[n-]2)n1 ZINC001609409721 1164934816 /nfs/dbraw/zinc/93/48/16/1164934816.db2.gz VBCHPEZHUVCAQS-ZDUSSCGKSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1cc(NC[C@](C)(O)C(C)C)cc(-c2nn[n-]n2)n1 ZINC001609409721 1164934822 /nfs/dbraw/zinc/93/48/22/1164934822.db2.gz VBCHPEZHUVCAQS-ZDUSSCGKSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1cccc(CCNc2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001609431627 1164942736 /nfs/dbraw/zinc/94/27/36/1164942736.db2.gz ULLYREUBAGGGHS-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1cccc(CCNc2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001609431627 1164942741 /nfs/dbraw/zinc/94/27/41/1164942741.db2.gz ULLYREUBAGGGHS-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc2c(c1)[C@H](Nc1cnc(-c3nnn[n-]3)cn1)CO2 ZINC001609428712 1164944078 /nfs/dbraw/zinc/94/40/78/1164944078.db2.gz SLALAKZKLUNEPY-LLVKDONJSA-N -1 1 295.306 1.511 20 0 CDADMM Cc1ccc2c(c1)[C@H](Nc1cnc(-c3nn[n-]n3)cn1)CO2 ZINC001609428712 1164944085 /nfs/dbraw/zinc/94/40/85/1164944085.db2.gz SLALAKZKLUNEPY-LLVKDONJSA-N -1 1 295.306 1.511 20 0 CDADMM Cc1cccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)c1O ZINC001609433309 1164946590 /nfs/dbraw/zinc/94/65/90/1164946590.db2.gz WFYALPBSPIGHDF-UHFFFAOYSA-N -1 1 296.290 1.528 20 0 CDADMM Cc1cccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)c1O ZINC001609433309 1164946595 /nfs/dbraw/zinc/94/65/95/1164946595.db2.gz WFYALPBSPIGHDF-UHFFFAOYSA-N -1 1 296.290 1.528 20 0 CDADMM O=C(OCCCF)Oc1cccc(F)c1-c1nnn[n-]1 ZINC001609574420 1164993173 /nfs/dbraw/zinc/99/31/73/1164993173.db2.gz WPSPWTKJNBPQPU-UHFFFAOYSA-N -1 1 284.222 1.881 20 0 CDADMM O=C(OCCCF)Oc1cccc(F)c1-c1nn[n-]n1 ZINC001609574420 1164993180 /nfs/dbraw/zinc/99/31/80/1164993180.db2.gz WPSPWTKJNBPQPU-UHFFFAOYSA-N -1 1 284.222 1.881 20 0 CDADMM c1cc(-c2nc(-c3ccncc3)no2)oc1-c1nn[n-]n1 ZINC001609613219 1165006159 /nfs/dbraw/zinc/00/61/59/1165006159.db2.gz SKESAPZTPMSPDB-UHFFFAOYSA-N -1 1 281.235 1.572 20 0 CDADMM c1cc(N2CCC[C@@H]3CCC[C@@H]32)nc(-c2nn[n-]n2)n1 ZINC001609614374 1165009740 /nfs/dbraw/zinc/00/97/40/1165009740.db2.gz MYIQGVSMVZEXDM-UWVGGRQHSA-N -1 1 271.328 1.426 20 0 CDADMM c1ccc2c(c1)C[C@@H]2CNc1ccnc(-c2nnn[n-]2)c1 ZINC001609618187 1165011885 /nfs/dbraw/zinc/01/18/85/1165011885.db2.gz XIALFAMVMFSPDC-LLVKDONJSA-N -1 1 278.319 1.435 20 0 CDADMM c1ccc2c(c1)C[C@@H]2CNc1ccnc(-c2nn[n-]n2)c1 ZINC001609618187 1165011889 /nfs/dbraw/zinc/01/18/89/1165011889.db2.gz XIALFAMVMFSPDC-LLVKDONJSA-N -1 1 278.319 1.435 20 0 CDADMM CC(C)c1nc([C@H](C)NC(=O)[C@@H](C)CC(=O)[O-])n[nH]1 ZINC001609731467 1165058103 /nfs/dbraw/zinc/05/81/03/1165058103.db2.gz FIFNWXYCYXBLNI-YUMQZZPRSA-N -1 1 268.317 1.216 20 0 CDADMM CCO[C@H]1C[C@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001610029648 1165190012 /nfs/dbraw/zinc/19/00/12/1165190012.db2.gz UXHDEPMWQODNPD-SCZZXKLOSA-N -1 1 289.291 1.625 20 0 CDADMM CCc1oc(CN[C@H](C)[C@H]2CN(C)CCO2)cc1C(=O)[O-] ZINC001610079325 1165207701 /nfs/dbraw/zinc/20/77/01/1165207701.db2.gz RWWJHNSVBTYCJK-QMTHXVAHSA-N -1 1 296.367 1.349 20 0 CDADMM Cc1c(C(=O)[O-])cc(CN2CCN(C3CC3)CC2)n1C ZINC001610409125 1165310663 /nfs/dbraw/zinc/31/06/63/1165310663.db2.gz NDTLKFMESLZDQS-UHFFFAOYSA-N -1 1 277.368 1.312 20 0 CDADMM Cc1cc(C(=O)[O-])ccc1NC(=O)N1CCNC(C)(C)C1 ZINC001610441809 1165316736 /nfs/dbraw/zinc/31/67/36/1165316736.db2.gz UIAUCINETKDIGQ-UHFFFAOYSA-N -1 1 291.351 1.909 20 0 CDADMM Cc1ccc(NC(=O)CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1 ZINC001610506969 1165333420 /nfs/dbraw/zinc/33/34/20/1165333420.db2.gz HNUFVGNKAKIMRZ-IMRBUKKESA-N -1 1 274.320 1.196 20 0 CDADMM Cc1nnc(CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n1C1CC1 ZINC001610571377 1165359806 /nfs/dbraw/zinc/35/98/06/1165359806.db2.gz ANTXYFIQWUFYMQ-QWHCGFSZSA-N -1 1 290.367 1.464 20 0 CDADMM O=C([O-])[C@H](O)C1CCN(Cc2scnc2C2CC2)CC1 ZINC001610723763 1165416518 /nfs/dbraw/zinc/41/65/18/1165416518.db2.gz MYIKOUSKSMMNGI-CYBMUJFWSA-N -1 1 296.392 1.678 20 0 CDADMM O=C([O-])C[C@H]1CN(Cc2[nH]nc3ccccc32)CCO1 ZINC001610764399 1165434151 /nfs/dbraw/zinc/43/41/51/1165434151.db2.gz IXWPHAWMYHJKJG-JTQLQIEISA-N -1 1 275.308 1.238 20 0 CDADMM O=C([O-])[C@H](OC(=O)c1[nH]nc2c1CCC2)c1ccccc1 ZINC001610878827 1165471906 /nfs/dbraw/zinc/47/19/06/1165471906.db2.gz YLOIQAQVSYHFLU-CYBMUJFWSA-N -1 1 286.287 1.881 20 0 CDADMM CN(Cc1nnc[nH]1)C(=O)c1cc(F)cc(F)c1[O-] ZINC001617956386 1165615528 /nfs/dbraw/zinc/61/55/28/1165615528.db2.gz HZJFWPKYSMGEBD-UHFFFAOYSA-N -1 1 268.223 1.061 20 0 CDADMM CN(Cc1ncon1)C(=O)c1ccc(Cl)cc1[O-] ZINC001624255196 1165829958 /nfs/dbraw/zinc/82/99/58/1165829958.db2.gz TYEJSJXSALJMKF-UHFFFAOYSA-N -1 1 267.672 1.701 20 0 CDADMM CCN(Cc1ccccc1)c1cnc(-c2nnn[n-]2)cn1 ZINC000095279933 1166618820 /nfs/dbraw/zinc/61/88/20/1166618820.db2.gz VGLMKUDRMODYDT-UHFFFAOYSA-N -1 1 281.323 1.683 20 0 CDADMM CCN(Cc1ccccc1)c1cnc(-c2nn[n-]n2)cn1 ZINC000095279933 1166618825 /nfs/dbraw/zinc/61/88/25/1166618825.db2.gz VGLMKUDRMODYDT-UHFFFAOYSA-N -1 1 281.323 1.683 20 0 CDADMM Cc1ccc2nnc(CNC(=O)c3ccc([O-])cn3)n2c1 ZINC001638376406 1166842698 /nfs/dbraw/zinc/84/26/98/1166842698.db2.gz JLCAQFQZYKHYJW-UHFFFAOYSA-N -1 1 283.291 1.068 20 0 CDADMM CC(C)c1noc(CCC(=O)Nc2c[n-][nH]c2=O)n1 ZINC001638735329 1166867424 /nfs/dbraw/zinc/86/74/24/1166867424.db2.gz CUNIKAVTJXKAEI-UHFFFAOYSA-N -1 1 265.273 1.193 20 0 CDADMM Cc1ccc2ncc(C(=O)Nc3c[n-][nH]c3=O)c(O)c2c1 ZINC001638735705 1166868239 /nfs/dbraw/zinc/86/82/39/1166868239.db2.gz VAXXPTCSIVVEQV-UHFFFAOYSA-N -1 1 284.275 1.518 20 0 CDADMM O=C(NCc1ccc(-c2nnco2)cc1)c1ccc([O-])cn1 ZINC001640092046 1166995004 /nfs/dbraw/zinc/99/50/04/1166995004.db2.gz PQFVSHQUQIIQAN-UHFFFAOYSA-N -1 1 296.286 1.767 20 0 CDADMM Cc1cc(C=O)c([O-])c(C(=O)NCCc2ccns2)c1 ZINC001153443797 1167096376 /nfs/dbraw/zinc/09/63/76/1167096376.db2.gz RNPNULYQXKTOES-UHFFFAOYSA-N -1 1 290.344 1.942 20 0 CDADMM CC[C@H](C)n1nc(C(=O)Nc2c[n-][nH]c2=O)cc1C ZINC001641601509 1167124464 /nfs/dbraw/zinc/12/44/64/1167124464.db2.gz RVRUGNDKZAQJSO-ZETCQYMHSA-N -1 1 263.301 1.844 20 0 CDADMM CCc1ccc2nc(-c3cnccn3)[n-]c(=O)c2c1 ZINC000057772204 1167178091 /nfs/dbraw/zinc/17/80/91/1167178091.db2.gz JUXXHXLDYUPTAR-UHFFFAOYSA-N -1 1 252.277 1.943 20 0 CDADMM CCNc1ccc(NC(=O)c2ccc([O-])cn2)cn1 ZINC001646070691 1167633119 /nfs/dbraw/zinc/63/31/19/1167633119.db2.gz PMDLEDMAZRLYOZ-UHFFFAOYSA-N -1 1 258.281 1.866 20 0 CDADMM CCn1ncnc1CNC[C@H](C(=O)[O-])c1ccccc1 ZINC001646236625 1167716470 /nfs/dbraw/zinc/71/64/70/1167716470.db2.gz BITPKFLCZSYBFW-LBPRGKRZSA-N -1 1 274.324 1.256 20 0 CDADMM C[C@H](N(C)c1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001603599603 1167841861 /nfs/dbraw/zinc/84/18/61/1167841861.db2.gz VPPXNMIWWGWWQI-QMMMGPOBSA-N -1 1 261.333 1.528 20 0 CDADMM C[C@H](N(C)c1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001603599603 1167841866 /nfs/dbraw/zinc/84/18/66/1167841866.db2.gz VPPXNMIWWGWWQI-QMMMGPOBSA-N -1 1 261.333 1.528 20 0 CDADMM O=C([O-])c1ccc(F)c(CN2C[C@H]3C[C@@]3(CO)C2)c1 ZINC001608894721 1167935518 /nfs/dbraw/zinc/93/55/18/1167935518.db2.gz DCFZHEBJIQZTHC-RISCZKNCSA-N -1 1 265.284 1.338 20 0 CDADMM Cc1ccccc1C1(C(=O)NCc2nc([O-])cc(=O)[nH]2)CC1 ZINC001647406217 1168652273 /nfs/dbraw/zinc/65/22/73/1168652273.db2.gz FWTGHOJDLFNZFA-UHFFFAOYSA-N -1 1 299.330 1.544 20 0 CDADMM O=C(Nc1cnc2ccnn2c1)c1ccc([O-])cn1 ZINC001648677135 1169150050 /nfs/dbraw/zinc/15/00/50/1169150050.db2.gz SIRMUMDKIOWROH-UHFFFAOYSA-N -1 1 255.237 1.082 20 0 CDADMM CO[C@H](C(=O)OCC(=O)c1ccc([O-])cc1O)C(C)C ZINC001649756011 1169339447 /nfs/dbraw/zinc/33/94/47/1169339447.db2.gz IQTQFYRMCJVUFN-ZDUSSCGKSA-N -1 1 282.292 1.495 20 0 CDADMM C[N-]S(=O)(=O)c1ccc(-c2nnc(C3CCC3)o2)o1 ZINC001649796643 1169374270 /nfs/dbraw/zinc/37/42/70/1169374270.db2.gz AQEFMTZXFHZWFR-UHFFFAOYSA-N -1 1 283.309 1.505 20 0 CDADMM CCc1oc(CN[C@@H](COC)[C@@H]2CCCO2)cc1C(=O)[O-] ZINC001650012931 1169605908 /nfs/dbraw/zinc/60/59/08/1169605908.db2.gz PGSTXOUFURKQSU-JSGCOSHPSA-N -1 1 297.351 1.824 20 0 CDADMM COCc1csc(CN[C@H](C(=O)[O-])[C@@H](C)OC)c1 ZINC001650087253 1169704427 /nfs/dbraw/zinc/70/44/27/1169704427.db2.gz KBQDZDFSYIUMQH-KCJUWKMLSA-N -1 1 273.354 1.472 20 0 CDADMM Cc1ccc(NC(=O)CN2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)cc1 ZINC001574155264 1170898947 /nfs/dbraw/zinc/89/89/47/1170898947.db2.gz UEKLUNPTRMZCTB-VNHYZAJKSA-N -1 1 288.347 1.586 20 0 CDADMM NC(=O)[C@H](F)C1CCN(Cc2ccc(C(=O)[O-])o2)CC1 ZINC001574250234 1170931082 /nfs/dbraw/zinc/93/10/82/1170931082.db2.gz ZHLPSSHVPXFKPO-LLVKDONJSA-N -1 1 284.287 1.013 20 0 CDADMM CC(=O)c1ccc([O-])c(NC(=O)c2cnc(CN)nc2)c1 ZINC001575040302 1171091595 /nfs/dbraw/zinc/09/15/95/1171091595.db2.gz MQOSNYLNVILCKK-UHFFFAOYSA-N -1 1 286.291 1.096 20 0 CDADMM O=S(=O)([N-]CC(F)F)c1coc2ccccc21 ZINC001654328497 1171604236 /nfs/dbraw/zinc/60/42/36/1171604236.db2.gz FWJXXBDSOZIEIQ-UHFFFAOYSA-N -1 1 261.249 1.976 20 0 CDADMM Cc1cnc(C(=O)NCc2cc(N)cc(F)c2)c([O-])c1 ZINC001579819126 1172271324 /nfs/dbraw/zinc/27/13/24/1172271324.db2.gz HYENUJSTHZIELZ-UHFFFAOYSA-N -1 1 275.283 1.747 20 0 CDADMM O=C([N-]OC1CCC1)[C@H]1NCCOc2ccccc21 ZINC001580742671 1172525937 /nfs/dbraw/zinc/52/59/37/1172525937.db2.gz BWMLHTUAUCEIBZ-ZDUSSCGKSA-N -1 1 262.309 1.310 20 0 CDADMM O=S(=O)([N-]Cc1ncccn1)c1cc2ccccc2o1 ZINC001665304883 1172976927 /nfs/dbraw/zinc/97/69/27/1172976927.db2.gz ZMHKJZQZIIMVBT-UHFFFAOYSA-N -1 1 289.316 1.701 20 0 CDADMM Cc1ccnc2ccc(C(=O)N(C)c3nn[n-]n3)cc12 ZINC001587339983 1172981241 /nfs/dbraw/zinc/98/12/41/1172981241.db2.gz WZNGUBJMSBWCOI-UHFFFAOYSA-N -1 1 268.280 1.333 20 0 CDADMM Cc1noc2nc(C3CC3)cc(C(=O)N(C)c3nn[n-]n3)c12 ZINC001587339916 1172982304 /nfs/dbraw/zinc/98/23/04/1172982304.db2.gz UWMBSOCIQVQULH-UHFFFAOYSA-N -1 1 299.294 1.198 20 0 CDADMM CC(=Cc1cocn1)c1nc(C)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC001588771806 1173105841 /nfs/dbraw/zinc/10/58/41/1173105841.db2.gz AFVVIKKPHKIUOD-UTCJRWHESA-N -1 1 285.267 1.219 20 0 CDADMM CC(=O)[C@@H](C)CCOC(=O)c1ccsc1-c1nnn[n-]1 ZINC001588787836 1173106454 /nfs/dbraw/zinc/10/64/54/1173106454.db2.gz ZQWRHXFNNOYGKT-ZETCQYMHSA-N -1 1 294.336 1.700 20 0 CDADMM CC(=O)[C@@H](C)CCOC(=O)c1ccsc1-c1nn[n-]n1 ZINC001588787836 1173106457 /nfs/dbraw/zinc/10/64/57/1173106457.db2.gz ZQWRHXFNNOYGKT-ZETCQYMHSA-N -1 1 294.336 1.700 20 0 CDADMM CC(=O)[C@@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)C(C)C ZINC001588785803 1173107988 /nfs/dbraw/zinc/10/79/88/1173107988.db2.gz MORFHEABWNVZAY-NSHDSACASA-N -1 1 289.295 1.032 20 0 CDADMM CC(=O)[C@@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)C(C)C ZINC001588785803 1173107993 /nfs/dbraw/zinc/10/79/93/1173107993.db2.gz MORFHEABWNVZAY-NSHDSACASA-N -1 1 289.295 1.032 20 0 CDADMM CC(C)[C@H](O)COc1cccc(F)c1-c1nnn[n-]1 ZINC001589479983 1173148599 /nfs/dbraw/zinc/14/85/99/1173148599.db2.gz IFYUNJDNAVQGNH-SECBINFHSA-N -1 1 266.276 1.402 20 0 CDADMM CC(C)[C@H](O)COc1cccc(F)c1-c1nn[n-]n1 ZINC001589479983 1173148604 /nfs/dbraw/zinc/14/86/04/1173148604.db2.gz IFYUNJDNAVQGNH-SECBINFHSA-N -1 1 266.276 1.402 20 0 CDADMM C[C@H](CC1CCC1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589802633 1173184950 /nfs/dbraw/zinc/18/49/50/1173184950.db2.gz YOVJLSQBGGZKSV-SECBINFHSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@H](CC1CCC1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589802633 1173184954 /nfs/dbraw/zinc/18/49/54/1173184954.db2.gz YOVJLSQBGGZKSV-SECBINFHSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)C1(C)CC1 ZINC001589938459 1173207224 /nfs/dbraw/zinc/20/72/24/1173207224.db2.gz INSQYPDVFYSWHL-MRVPVSSYSA-N -1 1 287.327 1.572 20 0 CDADMM C[C@@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)C1(C)CC1 ZINC001589938459 1173207232 /nfs/dbraw/zinc/20/72/32/1173207232.db2.gz INSQYPDVFYSWHL-MRVPVSSYSA-N -1 1 287.327 1.572 20 0 CDADMM C[C@@H](O)C(C)(C)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589993463 1173224413 /nfs/dbraw/zinc/22/44/13/1173224413.db2.gz WYWVVYPRSVCOSH-SSDOTTSWSA-N -1 1 289.343 1.105 20 0 CDADMM C[C@@H](O)C(C)(C)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589993463 1173224420 /nfs/dbraw/zinc/22/44/20/1173224420.db2.gz WYWVVYPRSVCOSH-SSDOTTSWSA-N -1 1 289.343 1.105 20 0 CDADMM CC1(NC(=O)c2csc(-c3nn[n-]n3)c2)CC(F)(F)C1 ZINC001590147012 1173273335 /nfs/dbraw/zinc/27/33/35/1173273335.db2.gz PYRHGSGUWRVORA-UHFFFAOYSA-N -1 1 299.306 1.846 20 0 CDADMM C[C@H]1CCC[C@H]1CC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001590247390 1173318413 /nfs/dbraw/zinc/31/84/13/1173318413.db2.gz JUPWJMWQZNFZGS-YUMQZZPRSA-N -1 1 275.316 1.355 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001590269925 1173330136 /nfs/dbraw/zinc/33/01/36/1173330136.db2.gz IHBTXCCKLXRFJU-VHSXEESVSA-N -1 1 286.339 1.380 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001590269925 1173330145 /nfs/dbraw/zinc/33/01/45/1173330145.db2.gz IHBTXCCKLXRFJU-VHSXEESVSA-N -1 1 286.339 1.380 20 0 CDADMM C[C@H]1CSCCN1C(=O)c1ccsc1-c1nnn[n-]1 ZINC001590325796 1173357644 /nfs/dbraw/zinc/35/76/44/1173357644.db2.gz DOTGLYLTZJREOH-ZETCQYMHSA-N -1 1 295.393 1.506 20 0 CDADMM C[C@H]1CSCCN1C(=O)c1ccsc1-c1nn[n-]n1 ZINC001590325796 1173357652 /nfs/dbraw/zinc/35/76/52/1173357652.db2.gz DOTGLYLTZJREOH-ZETCQYMHSA-N -1 1 295.393 1.506 20 0 CDADMM C[C@H]1OCCN(C(=O)c2ccsc2-c2nnn[n-]2)[C@@H]1C ZINC001590338371 1173364551 /nfs/dbraw/zinc/36/45/51/1173364551.db2.gz RJHVNCDCNIJIAM-HTQZYQBOSA-N -1 1 293.352 1.178 20 0 CDADMM C[C@H]1OCCN(C(=O)c2ccsc2-c2nn[n-]n2)[C@@H]1C ZINC001590338371 1173364559 /nfs/dbraw/zinc/36/45/59/1173364559.db2.gz RJHVNCDCNIJIAM-HTQZYQBOSA-N -1 1 293.352 1.178 20 0 CDADMM CC[C@@H](COCC1CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001590446434 1173411813 /nfs/dbraw/zinc/41/18/13/1173411813.db2.gz CWVPDUDVXMIKQA-JTQLQIEISA-N -1 1 289.343 1.274 20 0 CDADMM CC[C@@H](COCC1CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001590446434 1173411815 /nfs/dbraw/zinc/41/18/15/1173411815.db2.gz CWVPDUDVXMIKQA-JTQLQIEISA-N -1 1 289.343 1.274 20 0 CDADMM CCC1(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)CC1 ZINC001590488136 1173430064 /nfs/dbraw/zinc/43/00/64/1173430064.db2.gz AXUHUVPRAYBLMI-UHFFFAOYSA-N -1 1 261.289 1.027 20 0 CDADMM CC[C@@]1(C)CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590490337 1173435493 /nfs/dbraw/zinc/43/54/93/1173435493.db2.gz XCTWZFHYTSETDI-ZDUSSCGKSA-N -1 1 273.344 1.673 20 0 CDADMM CC[C@@]1(C)CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590490337 1173435496 /nfs/dbraw/zinc/43/54/96/1173435496.db2.gz XCTWZFHYTSETDI-ZDUSSCGKSA-N -1 1 273.344 1.673 20 0 CDADMM CC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590513482 1173442529 /nfs/dbraw/zinc/44/25/29/1173442529.db2.gz KGLLFRDTMAKXKQ-VIFPVBQESA-N -1 1 259.317 1.283 20 0 CDADMM CC/C=C\COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590533059 1173456086 /nfs/dbraw/zinc/45/60/86/1173456086.db2.gz ZXCRTSPQLIGIDA-ARJAWSKDSA-N -1 1 259.269 1.385 20 0 CDADMM CC/C=C\COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590533059 1173456089 /nfs/dbraw/zinc/45/60/89/1173456089.db2.gz ZXCRTSPQLIGIDA-ARJAWSKDSA-N -1 1 259.269 1.385 20 0 CDADMM CCC[C@H](COC(=O)c1cccc(-c2nnn[n-]2)n1)OC ZINC001590558129 1173464242 /nfs/dbraw/zinc/46/42/42/1173464242.db2.gz LDFHDSXDDPWQFB-SECBINFHSA-N -1 1 291.311 1.234 20 0 CDADMM CCC[C@H](COC(=O)c1cccc(-c2nn[n-]n2)n1)OC ZINC001590558129 1173464247 /nfs/dbraw/zinc/46/42/47/1173464247.db2.gz LDFHDSXDDPWQFB-SECBINFHSA-N -1 1 291.311 1.234 20 0 CDADMM CCCCCCNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590595146 1173469394 /nfs/dbraw/zinc/46/93/94/1173469394.db2.gz UUPWSTZCRNZYKV-UHFFFAOYSA-N -1 1 289.343 1.964 20 0 CDADMM CCCCCCNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590595146 1173469400 /nfs/dbraw/zinc/46/94/00/1173469400.db2.gz UUPWSTZCRNZYKV-UHFFFAOYSA-N -1 1 289.343 1.964 20 0 CDADMM CCCC[C@@H](C)OC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590576716 1173469427 /nfs/dbraw/zinc/46/94/27/1173469427.db2.gz DRSBMMRWTMPKHX-BDAKNGLRSA-N -1 1 293.331 1.141 20 0 CDADMM CCOc1ccccc1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001590843418 1173524597 /nfs/dbraw/zinc/52/45/97/1173524597.db2.gz YBPKXFZJCBXNDL-UHFFFAOYSA-N -1 1 285.311 1.601 20 0 CDADMM CCOc1ccccc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001590843418 1173524607 /nfs/dbraw/zinc/52/46/07/1173524607.db2.gz YBPKXFZJCBXNDL-UHFFFAOYSA-N -1 1 285.311 1.601 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](C)[C@@H]2C)n1 ZINC001590905843 1173538330 /nfs/dbraw/zinc/53/83/30/1173538330.db2.gz ORBINAYJYARJQD-BDAKNGLRSA-N -1 1 273.344 1.454 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](C)[C@@H]2C)n1 ZINC001590905843 1173538334 /nfs/dbraw/zinc/53/83/34/1173538334.db2.gz ORBINAYJYARJQD-BDAKNGLRSA-N -1 1 273.344 1.454 20 0 CDADMM CCc1nc(N[C@H](C)[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001590915254 1173541089 /nfs/dbraw/zinc/54/10/89/1173541089.db2.gz RPRPXXMEYKXQCU-RKDXNWHRSA-N -1 1 289.343 1.056 20 0 CDADMM CCc1nc(N[C@H](C)[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001590915254 1173541092 /nfs/dbraw/zinc/54/10/92/1173541092.db2.gz RPRPXXMEYKXQCU-RKDXNWHRSA-N -1 1 289.343 1.056 20 0 CDADMM CN(C[C@H]1CCCC[C@H]1O)c1cccnc1-c1nnn[n-]1 ZINC001591056939 1173569061 /nfs/dbraw/zinc/56/90/61/1173569061.db2.gz UWHJGESQJBTNRM-ZYHUDNBSSA-N -1 1 288.355 1.249 20 0 CDADMM CN(C[C@H]1CCCC[C@H]1O)c1cccnc1-c1nn[n-]n1 ZINC001591056939 1173569066 /nfs/dbraw/zinc/56/90/66/1173569066.db2.gz UWHJGESQJBTNRM-ZYHUDNBSSA-N -1 1 288.355 1.249 20 0 CDADMM COC(=O)c1cccc(Oc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001591303175 1173598998 /nfs/dbraw/zinc/59/89/98/1173598998.db2.gz QPJUOMBNBVFDJL-UHFFFAOYSA-N -1 1 298.262 1.236 20 0 CDADMM CO[C@@H](CNC(=O)c1ccsc1-c1nnn[n-]1)C(C)C ZINC001591329568 1173615363 /nfs/dbraw/zinc/61/53/63/1173615363.db2.gz MBHUQGYKTYFRMO-VIFPVBQESA-N -1 1 295.368 1.329 20 0 CDADMM CO[C@@H](CNC(=O)c1ccsc1-c1nn[n-]n1)C(C)C ZINC001591329568 1173615367 /nfs/dbraw/zinc/61/53/67/1173615367.db2.gz MBHUQGYKTYFRMO-VIFPVBQESA-N -1 1 295.368 1.329 20 0 CDADMM CO[C@@H](CNc1cncc(-c2nnn[n-]2)n1)CC(C)C ZINC001591329364 1173615908 /nfs/dbraw/zinc/61/59/08/1173615908.db2.gz PYXWTVHNMUVPMP-SECBINFHSA-N -1 1 277.332 1.130 20 0 CDADMM CO[C@@H](CNc1cncc(-c2nn[n-]n2)n1)CC(C)C ZINC001591329364 1173615911 /nfs/dbraw/zinc/61/59/11/1173615911.db2.gz PYXWTVHNMUVPMP-SECBINFHSA-N -1 1 277.332 1.130 20 0 CDADMM CO[C@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C12CCC2 ZINC001591350224 1173621893 /nfs/dbraw/zinc/62/18/93/1173621893.db2.gz OTVLJGCCESMIHO-MNOVXSKESA-N -1 1 286.339 1.631 20 0 CDADMM CO[C@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C12CCC2 ZINC001591350224 1173621897 /nfs/dbraw/zinc/62/18/97/1173621897.db2.gz OTVLJGCCESMIHO-MNOVXSKESA-N -1 1 286.339 1.631 20 0 CDADMM CO[C@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC001591357132 1173628181 /nfs/dbraw/zinc/62/81/81/1173628181.db2.gz DYRBHYJMNUJTGY-KOLCDFICSA-N -1 1 274.328 1.265 20 0 CDADMM CO[C@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC001591357132 1173628184 /nfs/dbraw/zinc/62/81/84/1173628184.db2.gz DYRBHYJMNUJTGY-KOLCDFICSA-N -1 1 274.328 1.265 20 0 CDADMM COC[C@@H](CNc1cccnc1-c1nnn[n-]1)C(C)C ZINC001591378796 1173638984 /nfs/dbraw/zinc/63/89/84/1173638984.db2.gz ZYYUAQNOPFONKX-SNVBAGLBSA-N -1 1 276.344 1.592 20 0 CDADMM COC[C@@H](CNc1cccnc1-c1nn[n-]n1)C(C)C ZINC001591378796 1173638992 /nfs/dbraw/zinc/63/89/92/1173638992.db2.gz ZYYUAQNOPFONKX-SNVBAGLBSA-N -1 1 276.344 1.592 20 0 CDADMM COc1cc(C)ccc1C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001591521543 1173663415 /nfs/dbraw/zinc/66/34/15/1173663415.db2.gz XLSFHBDYNYLKDG-UHFFFAOYSA-N -1 1 299.294 1.159 20 0 CDADMM COc1cc(Nc2ncncc2-c2nn[n-]n2)cc(OC)c1 ZINC001591547525 1173665659 /nfs/dbraw/zinc/66/56/59/1173665659.db2.gz CUCMLQDSEPPOEG-UHFFFAOYSA-N -1 1 299.294 1.418 20 0 CDADMM COc1ccc([C@@H](C)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001591575898 1173671629 /nfs/dbraw/zinc/67/16/29/1173671629.db2.gz GOLQHFDWZMPXLR-VIFPVBQESA-N -1 1 285.311 1.271 20 0 CDADMM C[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ncccc1F ZINC001591729866 1173692657 /nfs/dbraw/zinc/69/26/57/1173692657.db2.gz JDEJNSYXFFHMIK-MRVPVSSYSA-N -1 1 285.286 1.391 20 0 CDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ncccc1F ZINC001591729866 1173692662 /nfs/dbraw/zinc/69/26/62/1173692662.db2.gz JDEJNSYXFFHMIK-MRVPVSSYSA-N -1 1 285.286 1.391 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCc2cccc(F)c2)n1 ZINC001591900624 1173745273 /nfs/dbraw/zinc/74/52/73/1173745273.db2.gz CJYNFTAOASOQAD-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCc2cccc(F)c2)n1 ZINC001591900624 1173745279 /nfs/dbraw/zinc/74/52/79/1173745279.db2.gz CJYNFTAOASOQAD-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1cc(NCCCc2cnn(C)c2)cc(-c2nnn[n-]2)n1 ZINC001592048554 1173785581 /nfs/dbraw/zinc/78/55/81/1173785581.db2.gz GUVWKHOUAYYUGY-UHFFFAOYSA-N -1 1 298.354 1.348 20 0 CDADMM Cc1cc(NCCCc2cnn(C)c2)cc(-c2nn[n-]n2)n1 ZINC001592048554 1173785588 /nfs/dbraw/zinc/78/55/88/1173785588.db2.gz GUVWKHOUAYYUGY-UHFFFAOYSA-N -1 1 298.354 1.348 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@H](C)O[C@@H]2C)nc1-c1nnn[n-]1 ZINC001592183272 1173829732 /nfs/dbraw/zinc/82/97/32/1173829732.db2.gz CFFPXNDVVZNYCZ-IVZWLZJFSA-N -1 1 274.328 1.548 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@H](C)O[C@@H]2C)nc1-c1nn[n-]n1 ZINC001592183272 1173829735 /nfs/dbraw/zinc/82/97/35/1173829735.db2.gz CFFPXNDVVZNYCZ-IVZWLZJFSA-N -1 1 274.328 1.548 20 0 CDADMM Cc1ccccc1[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001592250064 1173834883 /nfs/dbraw/zinc/83/48/83/1173834883.db2.gz DILMEDAUOKZESP-GFCCVEGCSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1ccccc1[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001592250064 1173834890 /nfs/dbraw/zinc/83/48/90/1173834890.db2.gz DILMEDAUOKZESP-GFCCVEGCSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1ccccc1Cn1cc(-c2nn[n-]n2)ccc1=O ZINC001592257513 1173836180 /nfs/dbraw/zinc/83/61/80/1173836180.db2.gz KEQFHFWYZINXCW-UHFFFAOYSA-N -1 1 267.292 1.385 20 0 CDADMM Cc1ccccc1C(=O)Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001592247779 1173836466 /nfs/dbraw/zinc/83/64/66/1173836466.db2.gz SBAQCUDDJDYDJU-UHFFFAOYSA-N -1 1 295.302 1.220 20 0 CDADMM Cc1ccn(C[C@H]2CCO[C@@H](C)C2)c(=O)c1-c1nn[n-]n1 ZINC001592266814 1173838200 /nfs/dbraw/zinc/83/82/00/1173838200.db2.gz XWJIERAVVKVUEF-QWRGUYRKSA-N -1 1 289.339 1.152 20 0 CDADMM Cc1ccn(C[C@H]2CCO[C@H](C)C2)c(=O)c1-c1nn[n-]n1 ZINC001592266813 1173838213 /nfs/dbraw/zinc/83/82/13/1173838213.db2.gz XWJIERAVVKVUEF-MNOVXSKESA-N -1 1 289.339 1.152 20 0 CDADMM Cc1cnc(CCNc2cccc(-c3nn[n-]n3)n2)c(C)c1 ZINC001592292300 1173847005 /nfs/dbraw/zinc/84/70/05/1173847005.db2.gz AACJBOIZZYCKCW-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1cncnc1NCc1nc(-c2nnn[n-]2)cs1 ZINC001592301463 1173851430 /nfs/dbraw/zinc/85/14/30/1173851430.db2.gz IJMLESHIFYWBQB-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM Cc1cncnc1NCc1nc(-c2nn[n-]n2)cs1 ZINC001592301463 1173851445 /nfs/dbraw/zinc/85/14/45/1173851445.db2.gz IJMLESHIFYWBQB-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@@H](C)C(F)(F)F)c1-c1nn[n-]n1 ZINC001592327110 1173854735 /nfs/dbraw/zinc/85/47/35/1173854735.db2.gz CLXMAUCIGNMYJD-GSVOUGTGSA-N -1 1 289.221 1.035 20 0 CDADMM Cc1[nH]nc(NC(=O)c2coc(-c3nnn[n-]3)c2)c1Cl ZINC001592331129 1173856892 /nfs/dbraw/zinc/85/68/92/1173856892.db2.gz RJOKNBVTTYQVHQ-UHFFFAOYSA-N -1 1 293.674 1.397 20 0 CDADMM Cc1[nH]nc(NC(=O)c2coc(-c3nn[n-]n3)c2)c1Cl ZINC001592331129 1173856896 /nfs/dbraw/zinc/85/68/96/1173856896.db2.gz RJOKNBVTTYQVHQ-UHFFFAOYSA-N -1 1 293.674 1.397 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](C3CC3)C2)n1 ZINC001592339681 1173862007 /nfs/dbraw/zinc/86/20/07/1173862007.db2.gz ADUGHLVKIVIHPL-LLVKDONJSA-N -1 1 285.355 1.592 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](C3CC3)C2)n1 ZINC001592339681 1173862011 /nfs/dbraw/zinc/86/20/11/1173862011.db2.gz ADUGHLVKIVIHPL-LLVKDONJSA-N -1 1 285.355 1.592 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@@H]2CC[C@H](C)C2)c1-c1nnn[n-]1 ZINC001592434038 1173887962 /nfs/dbraw/zinc/88/79/62/1173887962.db2.gz NKULMLCTUURJGU-IONNQARKSA-N -1 1 289.343 1.283 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@@H]2CC[C@H](C)C2)c1-c1nn[n-]n1 ZINC001592434038 1173887968 /nfs/dbraw/zinc/88/79/68/1173887968.db2.gz NKULMLCTUURJGU-IONNQARKSA-N -1 1 289.343 1.283 20 0 CDADMM Cc1nsc(N2C[C@H]3[C@@H](C2)C3(F)F)c1-c1nn[n-]n1 ZINC001592471654 1173898983 /nfs/dbraw/zinc/89/89/83/1173898983.db2.gz CXCIDKQZPRZFNU-OLQVQODUSA-N -1 1 284.295 1.333 20 0 CDADMM Cc1nsc(N[C@@H]2CO[C@H](C3CC3)C2)c1-c1nn[n-]n1 ZINC001592486974 1173901998 /nfs/dbraw/zinc/90/19/98/1173901998.db2.gz WRGKQKIZNBMVHA-IUCAKERBSA-N -1 1 292.368 1.611 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1ccncc1 ZINC001592501393 1173907867 /nfs/dbraw/zinc/90/78/67/1173907867.db2.gz PYSKISUDEHYJAT-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1ccncc1 ZINC001592501393 1173907872 /nfs/dbraw/zinc/90/78/72/1173907872.db2.gz PYSKISUDEHYJAT-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@H]1C=CCC1 ZINC001592501521 1173908991 /nfs/dbraw/zinc/90/89/91/1173908991.db2.gz GYHDYHLWFDFBJM-SECBINFHSA-N -1 1 273.296 1.464 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@H]1C=CCC1 ZINC001592501521 1173908996 /nfs/dbraw/zinc/90/89/96/1173908996.db2.gz GYHDYHLWFDFBJM-SECBINFHSA-N -1 1 273.296 1.464 20 0 CDADMM Cc1onc(CC(=O)N[C@@]2(C)CC2(C)C)c1-c1nnn[n-]1 ZINC001592515917 1173911810 /nfs/dbraw/zinc/91/18/10/1173911810.db2.gz RMGOZDYSUPMFFI-ZDUSSCGKSA-N -1 1 290.327 1.010 20 0 CDADMM Cc1onc(CC(=O)N[C@@]2(C)CC2(C)C)c1-c1nn[n-]n1 ZINC001592515917 1173911814 /nfs/dbraw/zinc/91/18/14/1173911814.db2.gz RMGOZDYSUPMFFI-ZDUSSCGKSA-N -1 1 290.327 1.010 20 0 CDADMM Cn1nc(NC(=O)c2coc(-c3nnn[n-]3)c2)cc1C1CC1 ZINC001592594747 1173924079 /nfs/dbraw/zinc/92/40/79/1173924079.db2.gz BYXHNERJWRIYOD-UHFFFAOYSA-N -1 1 299.294 1.323 20 0 CDADMM Cn1nc(NC(=O)c2coc(-c3nn[n-]n3)c2)cc1C1CC1 ZINC001592594747 1173924083 /nfs/dbraw/zinc/92/40/83/1173924083.db2.gz BYXHNERJWRIYOD-UHFFFAOYSA-N -1 1 299.294 1.323 20 0 CDADMM FC(F)O[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001592623610 1173932181 /nfs/dbraw/zinc/93/21/81/1173932181.db2.gz QTEOKCHARFCSLM-SECBINFHSA-N -1 1 296.281 1.470 20 0 CDADMM FC(F)O[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001592623610 1173932184 /nfs/dbraw/zinc/93/21/84/1173932184.db2.gz QTEOKCHARFCSLM-SECBINFHSA-N -1 1 296.281 1.470 20 0 CDADMM FC1(F)C[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001592630634 1173938905 /nfs/dbraw/zinc/93/89/05/1173938905.db2.gz QRFWCLODKPBCHI-ZCFIWIBFSA-N -1 1 267.243 1.114 20 0 CDADMM FC1(F)C[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001592630634 1173938906 /nfs/dbraw/zinc/93/89/06/1173938906.db2.gz QRFWCLODKPBCHI-ZCFIWIBFSA-N -1 1 267.243 1.114 20 0 CDADMM O=C(C[C@H]1CCCC1(F)F)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592818853 1173995697 /nfs/dbraw/zinc/99/56/97/1173995697.db2.gz XDJDKSVYFQZJPO-ZCFIWIBFSA-N -1 1 297.269 1.354 20 0 CDADMM O=C(C[C@H]1CCCC1(F)F)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592818853 1173995704 /nfs/dbraw/zinc/99/57/04/1173995704.db2.gz XDJDKSVYFQZJPO-ZCFIWIBFSA-N -1 1 297.269 1.354 20 0 CDADMM O=C(CCCF)OCc1ccc(-c2nn[n-]n2)s1 ZINC001592836462 1173996719 /nfs/dbraw/zinc/99/67/19/1173996719.db2.gz HTGAEYVSCSVLLO-UHFFFAOYSA-N -1 1 270.289 1.721 20 0 CDADMM O=C(NC1CCCCCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001592976240 1174009820 /nfs/dbraw/zinc/00/98/20/1174009820.db2.gz JKXZQELXZFCVIG-UHFFFAOYSA-N -1 1 275.312 1.912 20 0 CDADMM O=C(NC1CCCCCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001592976240 1174009827 /nfs/dbraw/zinc/00/98/27/1174009827.db2.gz JKXZQELXZFCVIG-UHFFFAOYSA-N -1 1 275.312 1.912 20 0 CDADMM O=C(N[C@H]1CCCC2(CC2)C1)c1ccc(-c2nnn[n-]2)o1 ZINC001592979513 1174010464 /nfs/dbraw/zinc/01/04/64/1174010464.db2.gz VDCXFXFPTIOODZ-VIFPVBQESA-N -1 1 287.323 1.912 20 0 CDADMM O=C(N[C@H]1CCCC2(CC2)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001592979513 1174010468 /nfs/dbraw/zinc/01/04/68/1174010468.db2.gz VDCXFXFPTIOODZ-VIFPVBQESA-N -1 1 287.323 1.912 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CC12CCCC2 ZINC001593267663 1174045377 /nfs/dbraw/zinc/04/53/77/1174045377.db2.gz ICGKDRUBBXHVCI-ZETCQYMHSA-N -1 1 290.352 1.842 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CC12CCCC2 ZINC001593267663 1174045383 /nfs/dbraw/zinc/04/53/83/1174045383.db2.gz ICGKDRUBBXHVCI-ZETCQYMHSA-N -1 1 290.352 1.842 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CCCS1 ZINC001593268269 1174045564 /nfs/dbraw/zinc/04/55/64/1174045564.db2.gz SBSSPIZDLVUZKM-RXMQYKEDSA-N -1 1 282.354 1.157 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CCCS1 ZINC001593268269 1174045569 /nfs/dbraw/zinc/04/55/69/1174045569.db2.gz SBSSPIZDLVUZKM-RXMQYKEDSA-N -1 1 282.354 1.157 20 0 CDADMM O=C(OCC1CCCC1)c1coc(-c2nnn[n-]2)c1 ZINC001593285117 1174050972 /nfs/dbraw/zinc/05/09/72/1174050972.db2.gz WZRHKVUYYUEQHN-UHFFFAOYSA-N -1 1 262.269 1.807 20 0 CDADMM O=C(OCC1CCCC1)c1coc(-c2nn[n-]n2)c1 ZINC001593285117 1174050983 /nfs/dbraw/zinc/05/09/83/1174050983.db2.gz WZRHKVUYYUEQHN-UHFFFAOYSA-N -1 1 262.269 1.807 20 0 CDADMM O=C(OCc1ccoc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593303236 1174059908 /nfs/dbraw/zinc/05/99/08/1174059908.db2.gz PPIXMGVXDXKFLC-UHFFFAOYSA-N -1 1 271.236 1.212 20 0 CDADMM O=C(OCc1ccoc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593303236 1174059915 /nfs/dbraw/zinc/05/99/15/1174059915.db2.gz PPIXMGVXDXKFLC-UHFFFAOYSA-N -1 1 271.236 1.212 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N(Cc1ccoc1)C1CC1 ZINC001593367092 1174071914 /nfs/dbraw/zinc/07/19/14/1174071914.db2.gz ICARDWLBKBOPOW-UHFFFAOYSA-N -1 1 299.290 1.858 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N(Cc1ccoc1)C1CC1 ZINC001593367092 1174071919 /nfs/dbraw/zinc/07/19/19/1174071919.db2.gz ICARDWLBKBOPOW-UHFFFAOYSA-N -1 1 299.290 1.858 20 0 CDADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1C/C=C\Cl ZINC001593494384 1174086372 /nfs/dbraw/zinc/08/63/72/1174086372.db2.gz LQLYLHUSZSVRMB-UTCJRWHESA-N -1 1 287.710 1.934 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1csc(Cl)n1 ZINC001593493970 1174087256 /nfs/dbraw/zinc/08/72/56/1174087256.db2.gz MRWIJKKBUMVFAA-UHFFFAOYSA-N -1 1 294.727 1.187 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1CCCCC(F)(F)F ZINC001593496396 1174088404 /nfs/dbraw/zinc/08/84/04/1174088404.db2.gz KQBSPMVUFMHANY-UHFFFAOYSA-N -1 1 287.245 1.761 20 0 CDADMM OCC1(CNc2ncncc2-c2nn[n-]n2)CCCCC1 ZINC001593521959 1174098667 /nfs/dbraw/zinc/09/86/67/1174098667.db2.gz CHNBOOLKEUEZCR-UHFFFAOYSA-N -1 1 289.343 1.011 20 0 CDADMM OCCCSCc1ccc(-c2nn[n-]n2)s1 ZINC001593531352 1174106512 /nfs/dbraw/zinc/10/65/12/1174106512.db2.gz KZZWPTMLJUFCEL-UHFFFAOYSA-N -1 1 256.356 1.544 20 0 CDADMM OCc1ccc(Sc2ncncc2-c2nnn[n-]2)cc1 ZINC001593535563 1174106712 /nfs/dbraw/zinc/10/67/12/1174106712.db2.gz ZVAPQEJIAOPQCV-UHFFFAOYSA-N -1 1 286.320 1.300 20 0 CDADMM OCc1ccc(Sc2ncncc2-c2nn[n-]n2)cc1 ZINC001593535563 1174106716 /nfs/dbraw/zinc/10/67/16/1174106716.db2.gz ZVAPQEJIAOPQCV-UHFFFAOYSA-N -1 1 286.320 1.300 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(-c2nc(C3CCC3)no2)c1 ZINC001593549701 1174121366 /nfs/dbraw/zinc/12/13/66/1174121366.db2.gz BKMFSHBNVXIGRY-UHFFFAOYSA-N -1 1 269.268 1.579 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(-c2nc(C3CCC3)no2)c1 ZINC001593549701 1174121369 /nfs/dbraw/zinc/12/13/69/1174121369.db2.gz BKMFSHBNVXIGRY-UHFFFAOYSA-N -1 1 269.268 1.579 20 0 CDADMM c1cc(N2CC[C@H]3CC[C@@H](C2)S3)cc(-c2nnn[n-]2)n1 ZINC001593559913 1174135661 /nfs/dbraw/zinc/13/56/61/1174135661.db2.gz VOJLQAXCNPUZPE-MNOVXSKESA-N -1 1 288.380 1.736 20 0 CDADMM c1cc(N2CC[C@H]3CC[C@@H](C2)S3)cc(-c2nn[n-]n2)n1 ZINC001593559913 1174135663 /nfs/dbraw/zinc/13/56/63/1174135663.db2.gz VOJLQAXCNPUZPE-MNOVXSKESA-N -1 1 288.380 1.736 20 0 CDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1C[C@@H]2C[C@@H]2C1 ZINC001593578119 1174144618 /nfs/dbraw/zinc/14/46/18/1174144618.db2.gz UQQSONNSSMODDS-DTORHVGOSA-N -1 1 279.307 1.266 20 0 CDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1C[C@@H]2C[C@@H]2C1 ZINC001593578119 1174144620 /nfs/dbraw/zinc/14/46/20/1174144620.db2.gz UQQSONNSSMODDS-DTORHVGOSA-N -1 1 279.307 1.266 20 0 CDADMM c1sc(CN2Cc3ccccc3C2)nc1-c1nnn[n-]1 ZINC001593580700 1174146733 /nfs/dbraw/zinc/14/67/33/1174146733.db2.gz PDETXWWOFVXRNZ-UHFFFAOYSA-N -1 1 284.348 1.839 20 0 CDADMM c1sc(CN2Cc3ccccc3C2)nc1-c1nn[n-]n1 ZINC001593580700 1174146735 /nfs/dbraw/zinc/14/67/35/1174146735.db2.gz PDETXWWOFVXRNZ-UHFFFAOYSA-N -1 1 284.348 1.839 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N2C[C@@H]3CCCC[C@@H]32)c1 ZINC001593583125 1174146857 /nfs/dbraw/zinc/14/68/57/1174146857.db2.gz OHZINWKRZKLHNA-UWVGGRQHSA-N -1 1 256.313 1.641 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N2C[C@@H]3CCCC[C@@H]32)c1 ZINC001593583125 1174146860 /nfs/dbraw/zinc/14/68/60/1174146860.db2.gz OHZINWKRZKLHNA-UWVGGRQHSA-N -1 1 256.313 1.641 20 0 CDADMM c1sc(CNc2cccnc2)nc1-c1nnn[n-]1 ZINC001593587787 1174155220 /nfs/dbraw/zinc/15/52/20/1174155220.db2.gz PVJIPBUZLXCWQT-UHFFFAOYSA-N -1 1 259.298 1.330 20 0 CDADMM c1sc(CNc2cccnc2)nc1-c1nn[n-]n1 ZINC001593587787 1174155224 /nfs/dbraw/zinc/15/52/24/1174155224.db2.gz PVJIPBUZLXCWQT-UHFFFAOYSA-N -1 1 259.298 1.330 20 0 CDADMM c1nc(N[C@H]2CCOC3(CCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001593591925 1174159905 /nfs/dbraw/zinc/15/99/05/1174159905.db2.gz WCTCIZMXXIEPKS-VIFPVBQESA-N -1 1 287.327 1.170 20 0 CDADMM c1nc(N[C@H]2CCOC3(CCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001593591925 1174159910 /nfs/dbraw/zinc/15/99/10/1174159910.db2.gz WCTCIZMXXIEPKS-VIFPVBQESA-N -1 1 287.327 1.170 20 0 CDADMM c1nc(N[C@@H]2C[C@H]3CCC[C@H]32)cc(-c2nnn[n-]2)n1 ZINC001593591093 1174161138 /nfs/dbraw/zinc/16/11/38/1174161138.db2.gz LGVXFNFHWRLVTE-IWSPIJDZSA-N -1 1 257.301 1.257 20 0 CDADMM c1nc(N[C@@H]2C[C@H]3CCC[C@H]32)cc(-c2nn[n-]n2)n1 ZINC001593591093 1174161142 /nfs/dbraw/zinc/16/11/42/1174161142.db2.gz LGVXFNFHWRLVTE-IWSPIJDZSA-N -1 1 257.301 1.257 20 0 CDADMM O=C([O-])COCCN[C@@H]1CCc2c1c(F)ccc2F ZINC001595113441 1174196604 /nfs/dbraw/zinc/19/66/04/1174196604.db2.gz XZGMHPKLEUUCIO-LLVKDONJSA-N -1 1 271.263 1.643 20 0 CDADMM Cc1cc(CN[C@@H](C)CCS(C)(=O)=O)oc1C(=O)[O-] ZINC001600203759 1174406338 /nfs/dbraw/zinc/40/63/38/1174406338.db2.gz UTZLRULUANIDIJ-VIFPVBQESA-N -1 1 289.353 1.199 20 0 CDADMM Cc1cc(CN[C@@H](C)[C@@H]2CN(C)CCO2)oc1C(=O)[O-] ZINC001600203610 1174406395 /nfs/dbraw/zinc/40/63/95/1174406395.db2.gz QCZMFKSJLJODKM-JQWIXIFHSA-N -1 1 282.340 1.095 20 0 CDADMM Cc1ccccc1[C@@H](C(=O)[O-])N1CC[C@](O)(C(F)F)C1 ZINC001600567366 1174508110 /nfs/dbraw/zinc/50/81/10/1174508110.db2.gz MJPIDMCYUDHAHX-SMDDNHRTSA-N -1 1 285.290 1.823 20 0 CDADMM Cc1nc2cccc(C(=O)N[C@@H](C)/C=C/C(=O)[O-])c2[nH]1 ZINC001600720849 1174579504 /nfs/dbraw/zinc/57/95/04/1174579504.db2.gz MGFIELTXCXYMFO-CZEYKFRCSA-N -1 1 273.292 1.630 20 0 CDADMM Cc1ncc(CNCc2ccc(C(=O)[O-])[nH]2)s1 ZINC001600736922 1174584467 /nfs/dbraw/zinc/58/44/67/1174584467.db2.gz GTZKVBZCMNKEJS-UHFFFAOYSA-N -1 1 251.311 1.768 20 0 CDADMM Cn1cc(CN[C@H](CO)c2ccc(F)cc2)cc1C(=O)[O-] ZINC001600953558 1174678257 /nfs/dbraw/zinc/67/82/57/1174678257.db2.gz YPIUTZZGVJYQPT-CYBMUJFWSA-N -1 1 292.310 1.686 20 0 CDADMM NC(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC001601157174 1174764867 /nfs/dbraw/zinc/76/48/67/1174764867.db2.gz GJJWFNLRAQMGEN-MNOVXSKESA-N -1 1 297.742 1.208 20 0 CDADMM N[C@H](c1cn(C2(C(=O)[O-])CC2)nn1)c1ccc(F)cc1 ZINC001601177276 1174773583 /nfs/dbraw/zinc/77/35/83/1174773583.db2.gz ZXOGALURJPWGCO-NSHDSACASA-N -1 1 276.271 1.039 20 0 CDADMM NCc1cc(C(=O)NCc2ccc(CC(=O)[O-])cc2)co1 ZINC001601190431 1174783577 /nfs/dbraw/zinc/78/35/77/1174783577.db2.gz JLFBESNZICFAIX-UHFFFAOYSA-N -1 1 288.303 1.295 20 0 CDADMM NCc1cc(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])co1 ZINC001601191223 1174784864 /nfs/dbraw/zinc/78/48/64/1174784864.db2.gz XRMASHJTKQGWHX-GZMMTYOYSA-N -1 1 266.297 1.112 20 0 CDADMM O=C([O-])c1ccc(CNC(=O)Cc2cnc[nH]2)c(F)c1 ZINC001601372827 1174849699 /nfs/dbraw/zinc/84/96/99/1174849699.db2.gz YXVVGYYIQFLNGR-UHFFFAOYSA-N -1 1 277.255 1.106 20 0 CDADMM O=C([O-])[C@H](C[C@H]1CCCOC1)NCc1ccc(CO)o1 ZINC001601644411 1174927189 /nfs/dbraw/zinc/92/71/89/1174927189.db2.gz ZCFOTOIEENZVCP-MFKMUULPSA-N -1 1 283.324 1.131 20 0 CDADMM O=C([O-])[C@]1(F)CCN(CCOC2CCSCC2)C1 ZINC001601717221 1174965968 /nfs/dbraw/zinc/96/59/68/1174965968.db2.gz SWDAIPLJSPMAAN-LBPRGKRZSA-N -1 1 277.361 1.397 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](O)CN1C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC001601774693 1175001614 /nfs/dbraw/zinc/00/16/14/1175001614.db2.gz ZIHQQEWABKFGLC-XGUBFFRZSA-N -1 1 291.347 1.427 20 0 CDADMM O=C([O-])C[C@]1(NCc2cn(C3CCC3)nn2)CCCOC1 ZINC001601936213 1175073168 /nfs/dbraw/zinc/07/31/68/1175073168.db2.gz SVTSJADMSMNXLC-CQSZACIVSA-N -1 1 294.355 1.117 20 0 CDADMM O=C([O-])C[C@@H]1CCCN1CC(=O)Nc1ccc(Cl)nc1 ZINC001601955156 1175085569 /nfs/dbraw/zinc/08/55/69/1175085569.db2.gz OBFIFLASIGFIRK-JTQLQIEISA-N -1 1 297.742 1.613 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](O)CN1Cc1cccc(-c2ccccn2)c1 ZINC001602219770 1175173251 /nfs/dbraw/zinc/17/32/51/1175173251.db2.gz WBNIMSKYNJCNJB-GDBMZVCRSA-N -1 1 298.342 1.768 20 0 CDADMM O=C([O-])c1ccc(CN2CC3(C2)CCOCC3)[nH]1 ZINC001602336515 1175210507 /nfs/dbraw/zinc/21/05/07/1175210507.db2.gz XJMBDAICKDUDDF-UHFFFAOYSA-N -1 1 250.298 1.325 20 0 CDADMM O=C([O-])c1ccc(CN[C@H]2CCC3(C[C@@H]2F)OCCO3)o1 ZINC001602345309 1175217467 /nfs/dbraw/zinc/21/74/67/1175217467.db2.gz FLRKFLRXAKTRME-QWRGUYRKSA-N -1 1 299.298 1.701 20 0 CDADMM O=C([O-])c1ccc(Cl)c(CN2CC[C@H](CO)C2)c1 ZINC001602358486 1175222722 /nfs/dbraw/zinc/22/27/22/1175222722.db2.gz UBPBOWZNCIOJBT-VIFPVBQESA-N -1 1 269.728 1.852 20 0 CDADMM O=C([O-])c1cccc(CN2C[C@@H]3C[C@]3(O)C2)c1Cl ZINC001602436576 1175239249 /nfs/dbraw/zinc/23/92/49/1175239249.db2.gz HDOSGATWACEUNJ-ZANVPECISA-N -1 1 267.712 1.605 20 0 CDADMM O=C([O-])c1cccc(NS(=O)(=O)CC2(F)CC2)n1 ZINC001602447217 1175244239 /nfs/dbraw/zinc/24/42/39/1175244239.db2.gz VVRYKJWULVRHFK-UHFFFAOYSA-N -1 1 274.273 1.024 20 0 CDADMM O=C([O-])c1cccc2c1C[N@@H+](CC[C@H]1CCOC1=O)CC2 ZINC001602459988 1175246637 /nfs/dbraw/zinc/24/66/37/1175246637.db2.gz JBLZVESSGNKFDT-LBPRGKRZSA-N -1 1 289.331 1.696 20 0 CDADMM O=C([O-])c1cccc2c1CC[N@@H+](CC[C@@H]1CCOC1=O)C2 ZINC001602457428 1175246914 /nfs/dbraw/zinc/24/69/14/1175246914.db2.gz VULMMKXMCUIEPE-LLVKDONJSA-N -1 1 289.331 1.696 20 0 CDADMM O=C([O-])c1ccccc1CCN1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001602467006 1175249483 /nfs/dbraw/zinc/24/94/83/1175249483.db2.gz QTXXFISTQKEYLY-ZKTNFTSUSA-N -1 1 279.361 1.133 20 0 CDADMM O=C([O-])c1cnc(NCc2c[nH]nn2)c(Cl)c1 ZINC001602533572 1175276089 /nfs/dbraw/zinc/27/60/89/1175276089.db2.gz KKWLLGUUGYOHEU-UHFFFAOYSA-N -1 1 253.649 1.163 20 0 CDADMM O=C([O-])c1cncc(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001602537967 1175277718 /nfs/dbraw/zinc/27/77/18/1175277718.db2.gz HNHJUDZQMDLLQM-SNVBAGLBSA-N -1 1 264.281 1.076 20 0 CDADMM O=C([O-])c1ccc(CN2CCC3(CCNC(=O)O3)CC2)[nH]1 ZINC001602660006 1175341694 /nfs/dbraw/zinc/34/16/94/1175341694.db2.gz VDBGACCVTBRWOU-UHFFFAOYSA-N -1 1 293.323 1.177 20 0 CDADMM CC(=O)CCCC(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001602913955 1175451301 /nfs/dbraw/zinc/45/13/01/1175451301.db2.gz JCZXFJBQHHGJFR-UHFFFAOYSA-N -1 1 278.268 1.262 20 0 CDADMM CC(=O)CCCC(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001602913955 1175451311 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CCOCCO[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000269701394 364309148 /nfs/dbraw/zinc/30/91/48/364309148.db2.gz KMKZYXNMWBWXCQ-NSHDSACASA-N -1 1 280.324 1.055 20 0 CDADMM CN(C[C@H]1CCC[C@H]1O)C(=O)c1cc(F)ccc1[O-] ZINC000270124368 364465708 /nfs/dbraw/zinc/46/57/08/364465708.db2.gz NBZLYZUGDBEWQX-BXKDBHETSA-N -1 1 267.300 1.764 20 0 CDADMM CN(C)c1cccc(C[N-]C(=O)C(F)(F)C(F)F)n1 ZINC000270133216 364470342 /nfs/dbraw/zinc/47/03/42/364470342.db2.gz TUXZKNNCNRTJDV-UHFFFAOYSA-N -1 1 279.237 1.664 20 0 CDADMM CC(C)O[C@H](C(=O)Nc1nnn[n-]1)c1ccccc1 ZINC000293756625 370781911 /nfs/dbraw/zinc/78/19/11/370781911.db2.gz QVYQHGWBWGNSSA-JTQLQIEISA-N -1 1 261.285 1.305 20 0 CDADMM CC(C)O[C@H](C(=O)Nc1nn[n-]n1)c1ccccc1 ZINC000293756625 370781914 /nfs/dbraw/zinc/78/19/14/370781914.db2.gz QVYQHGWBWGNSSA-JTQLQIEISA-N -1 1 261.285 1.305 20 0 CDADMM Cc1n[nH]cc1[N-]S(=O)(=O)Cc1ccccc1F ZINC000186624497 364620516 /nfs/dbraw/zinc/62/05/16/364620516.db2.gz GAEWSUNZYFHJRN-UHFFFAOYSA-N -1 1 269.301 1.799 20 0 CDADMM C[C@H](C[S@](C)=O)NC(=O)c1cc(Cl)ccc1[O-] ZINC000168269183 364972012 /nfs/dbraw/zinc/97/20/12/364972012.db2.gz BWGCCJSNPDNMGL-IWEMQMMOSA-N -1 1 275.757 1.542 20 0 CDADMM CNC(=O)[C@H]1CCCCN1C(=O)c1ccc([O-])cc1F ZINC000182043544 365065670 /nfs/dbraw/zinc/06/56/70/365065670.db2.gz VADCBJRYODSKGI-GFCCVEGCSA-N -1 1 280.299 1.272 20 0 CDADMM CCC1(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC000272156691 365108132 /nfs/dbraw/zinc/10/81/32/365108132.db2.gz SDGYKLLIBYVSKL-UHFFFAOYSA-N -1 1 284.337 1.168 20 0 CDADMM O=S(=O)(Cc1ccc(CO)cc1)c1n[n-]c(C2CC2)n1 ZINC000272193431 365125075 /nfs/dbraw/zinc/12/50/75/365125075.db2.gz KXNYZUPZCRBCPQ-UHFFFAOYSA-N -1 1 293.348 1.148 20 0 CDADMM C[C@@H](CCO)[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000272240500 365147382 /nfs/dbraw/zinc/14/73/82/365147382.db2.gz QXUNZZPOJNGAID-LURJTMIESA-N -1 1 299.179 1.438 20 0 CDADMM C[C@H](c1ccccc1Cl)N(C)Cc1nc(=O)n(C)[n-]1 ZINC000353475732 365236392 /nfs/dbraw/zinc/23/63/92/365236392.db2.gz KIYCXDCYONYKGL-SECBINFHSA-N -1 1 280.759 1.955 20 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COC[C@H](CNC(=O)c1cc2ccccc2cc1[O-])OC ZINC000227699733 367422389 /nfs/dbraw/zinc/42/23/89/367422389.db2.gz MBSQEAVBJHXRDT-ZDUSSCGKSA-N -1 1 289.331 1.937 20 0 CDADMM COC[C@@H](CNC(=O)c1cc2ccccc2cc1[O-])OC ZINC000227699725 367422450 /nfs/dbraw/zinc/42/24/50/367422450.db2.gz MBSQEAVBJHXRDT-CYBMUJFWSA-N -1 1 289.331 1.937 20 0 CDADMM CNC(=O)[C@@]1(C)CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000228098571 367448634 /nfs/dbraw/zinc/44/86/34/367448634.db2.gz QFJSUMHYOYJKAC-AWEZNQCLSA-N -1 1 296.754 1.644 20 0 CDADMM Cc1ccc([C@H](N)C(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000280796419 367538208 /nfs/dbraw/zinc/53/82/08/367538208.db2.gz ULUSCPBKZVLQRY-STQMWFEESA-N -1 1 264.325 1.569 20 0 CDADMM C[C@]1(CNC(=O)c2ncccc2[O-])CCCC[C@@H]1O ZINC000161617254 291388981 /nfs/dbraw/zinc/38/89/81/291388981.db2.gz XJKHNEIVZGMZLJ-SMDDNHRTSA-N -1 1 264.325 1.458 20 0 CDADMM C[C@@H](NC(=O)c1cc(F)cc(Cl)c1[O-])c1nnc[nH]1 ZINC000155497947 296104204 /nfs/dbraw/zinc/10/42/04/296104204.db2.gz GCPXPKNCEAVQTE-RXMQYKEDSA-N -1 1 284.678 1.794 20 0 CDADMM CC[C@@H]1CCC[C@@H]1NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000358401324 367659992 /nfs/dbraw/zinc/65/99/92/367659992.db2.gz RPJQJUOWYZWAHQ-SKDRFNHKSA-N -1 1 288.351 1.982 20 0 CDADMM C[C@H](Cc1cnc[nH]1)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000630097741 367815790 /nfs/dbraw/zinc/81/57/90/367815790.db2.gz LUSNGBVIJPLUHD-SNVBAGLBSA-N -1 1 279.340 1.492 20 0 CDADMM C=Cc1ccc(CCN=c2ccc(C(N)=O)n[n-]2)cc1 ZINC000359965626 368052951 /nfs/dbraw/zinc/05/29/51/368052951.db2.gz CTADGCPZSGRUFV-UHFFFAOYSA-N -1 1 268.320 1.295 20 0 CDADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCOC2)c1 ZINC000282773538 368030860 /nfs/dbraw/zinc/03/08/60/368030860.db2.gz LQMSRGPCRRPGJT-VIFPVBQESA-N -1 1 265.265 1.154 20 0 CDADMM C[C@@H]1CC[C@H](CN=c2[n-]cc(S(N)(=O)=O)s2)C1 ZINC000360115167 368122286 /nfs/dbraw/zinc/12/22/86/368122286.db2.gz LEFLLYBZFUKZQI-SFYZADRCSA-N -1 1 275.399 1.061 20 0 CDADMM O=C(NCCn1cccn1)c1c(F)ccc([O-])c1F ZINC000360221245 368182172 /nfs/dbraw/zinc/18/21/72/368182172.db2.gz VMCIXCHYZDDGHG-UHFFFAOYSA-N -1 1 267.235 1.297 20 0 CDADMM C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)F)o1)C[C@H](C)O ZINC000632018729 368222791 /nfs/dbraw/zinc/22/27/91/368222791.db2.gz IEZCQPOBNVNWJI-SFYZADRCSA-N -1 1 297.323 1.903 20 0 CDADMM Cn1[n-]cc2/c(=N\C(=O)COC(C)(C)C)ccnc1-2 ZINC000283269378 368241799 /nfs/dbraw/zinc/24/17/99/368241799.db2.gz SNKZHQIFZXHGPC-YBEGLDIGSA-N -1 1 262.313 1.095 20 0 CDADMM C[C@H](CN(C)C(=O)/C=C/C1CCCCC1)c1nn[n-]n1 ZINC000124683821 368218791 /nfs/dbraw/zinc/21/87/91/368218791.db2.gz PDBIWCUDIOFVDS-ANYFNZRUSA-N -1 1 277.372 1.898 20 0 CDADMM C[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000630142649 368352835 /nfs/dbraw/zinc/35/28/35/368352835.db2.gz CJOZDNHRKBJBTQ-JTQLQIEISA-N -1 1 287.319 1.854 20 0 CDADMM COCc1nc(=NC[C@@H]2COC3(CCCC3)O2)s[n-]1 ZINC000367370185 368480978 /nfs/dbraw/zinc/48/09/78/368480978.db2.gz BSZUROANVYRYMM-SECBINFHSA-N -1 1 285.369 1.204 20 0 CDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)C2CCCC2)CC1 ZINC000630225737 368539134 /nfs/dbraw/zinc/53/91/34/368539134.db2.gz VGVFZWMZXSBIDH-LLVKDONJSA-N -1 1 268.357 1.184 20 0 CDADMM Cc1cocc1C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000630226701 368540870 /nfs/dbraw/zinc/54/08/70/368540870.db2.gz FBOLVZVCHCDAAL-UHFFFAOYSA-N -1 1 280.324 1.209 20 0 CDADMM CC(C)(C(=O)[O-])N1CCN(C(=O)[C@@]2(C)CC2(F)F)CC1 ZINC000630227464 368541846 /nfs/dbraw/zinc/54/18/46/368541846.db2.gz KKKQXSYMTGTDTN-GFCCVEGCSA-N -1 1 290.310 1.039 20 0 CDADMM C[C@@H](CN(C)C(=O)[C@@H](C)c1ccsc1)c1nn[n-]n1 ZINC000541842730 368684006 /nfs/dbraw/zinc/68/40/06/368684006.db2.gz INVHJBKVDUWZKQ-IUCAKERBSA-N -1 1 279.369 1.627 20 0 CDADMM CC(C)C[C@H]1C(=O)NCCCN1C(=O)c1ncccc1[O-] ZINC000294025242 370909259 /nfs/dbraw/zinc/90/92/59/370909259.db2.gz WZBURAHACGAGRE-NSHDSACASA-N -1 1 291.351 1.164 20 0 CDADMM O=C(N=c1[n-]sc2ccccc21)N1CCO[C@H](CF)C1 ZINC000630354233 368777294 /nfs/dbraw/zinc/77/72/94/368777294.db2.gz WDNZSUBIBRDXTN-SECBINFHSA-N -1 1 295.339 1.920 20 0 CDADMM Cn1[n-]c(CN[C@@H](c2ccccc2)C(F)(F)F)nc1=O 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C[C@@H](CC(C)(C)C)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000547807373 369652021 /nfs/dbraw/zinc/65/20/21/369652021.db2.gz WSZXLGGZOAOWCH-QWRGUYRKSA-N -1 1 279.388 1.978 20 0 CDADMM CC(=O)NCCCNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630683817 369728821 /nfs/dbraw/zinc/72/88/21/369728821.db2.gz FRTAFGCJPYKHDL-UHFFFAOYSA-N -1 1 284.743 1.231 20 0 CDADMM C[C@@H](CN(C)C(=O)[C@H]1CC12CCCC2)c1nn[n-]n1 ZINC000548466518 369868911 /nfs/dbraw/zinc/86/89/11/369868911.db2.gz WTGXGJVIUXIVEM-VHSXEESVSA-N -1 1 263.345 1.342 20 0 CDADMM CCC[C@@H](NC(=O)CC[C@H]1CCCCO1)c1nn[n-]n1 ZINC000136673233 369880642 /nfs/dbraw/zinc/88/06/42/369880642.db2.gz OFROHJJJPUWUER-GHMZBOCLSA-N -1 1 281.360 1.506 20 0 CDADMM COC(=O)CCCONC(=O)c1ccc(OC)cc1[O-] ZINC000290433859 369905914 /nfs/dbraw/zinc/90/59/14/369905914.db2.gz AYCOWZMHSZMRIG-UHFFFAOYSA-N -1 1 283.280 1.015 20 0 CDADMM CC(C)N1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1=O ZINC000290597404 369971377 /nfs/dbraw/zinc/97/13/77/369971377.db2.gz VRRHCQSKZMNSSO-UHFFFAOYSA-N -1 1 298.289 1.363 20 0 CDADMM CC1(C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2CCCO[C@@H]21 ZINC000370054586 369946563 /nfs/dbraw/zinc/94/65/63/369946563.db2.gz WUACZBCUSJZUDU-RNJXMRFFSA-N -1 1 251.248 1.869 20 0 CDADMM Cc1ccc2c(c1)CC[C@@H]2NC(=O)CCc1nn[n-]n1 ZINC000630816091 370039790 /nfs/dbraw/zinc/03/97/90/370039790.db2.gz ZIWMEINABVVCRF-LBPRGKRZSA-N -1 1 271.324 1.244 20 0 CDADMM COC(=O)c1coc(S(=O)(=O)[N-]C23CCC(CC2)C3)c1 ZINC000370233124 369987930 /nfs/dbraw/zinc/98/79/30/369987930.db2.gz MGZMYJHQJFVGAE-UHFFFAOYSA-N -1 1 299.348 1.677 20 0 CDADMM C[C@H](c1ccccc1)N(C(=O)CCc1nn[n-]n1)C1CC1 ZINC000630849723 370076622 /nfs/dbraw/zinc/07/66/22/370076622.db2.gz JRMKYDDJVCZKOT-LLVKDONJSA-N -1 1 285.351 1.885 20 0 CDADMM O=C(NCC1=CCCOC1)c1c(F)ccc([O-])c1F ZINC000290986757 370122304 /nfs/dbraw/zinc/12/23/04/370122304.db2.gz UPGQUCOCCUIOMV-UHFFFAOYSA-N -1 1 269.247 1.747 20 0 CDADMM Cc1cnn([C@@H]2CCN(C(=O)C(=O)c3ccc([O-])cc3)C2)c1 ZINC000291157781 370191295 /nfs/dbraw/zinc/19/12/95/370191295.db2.gz 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-1 1 280.299 1.162 20 0 CDADMM O=[S@](Cc1ccnc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000826495831 607528633 /nfs/dbraw/zinc/52/86/33/607528633.db2.gz CZBPQPGEZKOLHM-LJQANCHMSA-N -1 1 277.353 1.453 20 0 CDADMM O=[S@](Cc1ccnc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000826495831 607528635 /nfs/dbraw/zinc/52/86/35/607528635.db2.gz CZBPQPGEZKOLHM-LJQANCHMSA-N -1 1 277.353 1.453 20 0 CDADMM CN(CCN1CCCC1=O)Cc1ccsc1C(=O)[O-] ZINC000830781311 601826801 /nfs/dbraw/zinc/82/68/01/601826801.db2.gz WAUVHAIBBODSDC-UHFFFAOYSA-N -1 1 282.365 1.501 20 0 CDADMM CC(C)C[C@@H]1CCCCN1Cn1cc(C(=O)[O-])nn1 ZINC000826832927 601848785 /nfs/dbraw/zinc/84/87/85/601848785.db2.gz YUNXHIZLNOAENJ-NSHDSACASA-N -1 1 266.345 1.834 20 0 CDADMM O=[S@@](Cc1ccnc(-c2nnn[n-]2)c1)c1cccs1 ZINC000826496191 607530221 /nfs/dbraw/zinc/53/02/21/607530221.db2.gz NXRJUSHIPJQSIQ-IBGZPJMESA-N -1 1 291.361 1.631 20 0 CDADMM O=[S@@](Cc1ccnc(-c2nn[n-]n2)c1)c1cccs1 ZINC000826496191 607530222 /nfs/dbraw/zinc/53/02/22/607530222.db2.gz NXRJUSHIPJQSIQ-IBGZPJMESA-N -1 1 291.361 1.631 20 0 CDADMM C[C@@H]1C[C@@H](C)CN(C(=O)CN[C@@H](C(=O)[O-])C(C)(C)C)C1 ZINC000828161437 601869223 /nfs/dbraw/zinc/86/92/23/601869223.db2.gz NGYBYCFGXSAUNG-WZRBSPASSA-N -1 1 284.400 1.580 20 0 CDADMM C[C@]1(C(=O)[O-])CCN(CN2C(=O)C[C@@H]2c2ccccc2)C1 ZINC000828029230 601886573 /nfs/dbraw/zinc/88/65/73/601886573.db2.gz WTABZZNRIVQQGU-CJNGLKHVSA-N -1 1 288.347 1.714 20 0 CDADMM C[C@H](CC(=O)[O-])C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000827318552 602162116 /nfs/dbraw/zinc/16/21/16/602162116.db2.gz YAVVPKMBLSMXME-SECBINFHSA-N -1 1 274.280 1.317 20 0 CDADMM C[C@@H]1CCCC[C@@H]1NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C ZINC000828252138 602224069 /nfs/dbraw/zinc/22/40/69/602224069.db2.gz PUTKDSHRZPYOJI-NTZNESFSSA-N -1 1 284.400 1.770 20 0 CDADMM Cc1ccccc1CNC(=O)CN[C@H](C(=O)[O-])C(C)(C)C ZINC000832978269 602225730 /nfs/dbraw/zinc/22/57/30/602225730.db2.gz WFCYVVWFTKOCDL-CQSZACIVSA-N -1 1 292.379 1.700 20 0 CDADMM CC[C@@H](C(=O)Nc1cc(C(=O)[O-])ccn1)N(C)C ZINC000828588035 604278285 /nfs/dbraw/zinc/27/82/85/604278285.db2.gz ZCSBMDGIPCBRAT-VIFPVBQESA-N -1 1 251.286 1.059 20 0 CDADMM NC(=O)N1CCCN([C@@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000833083469 604741547 /nfs/dbraw/zinc/74/15/47/604741547.db2.gz ASERCMORVRTPCK-GFCCVEGCSA-N -1 1 295.314 1.038 20 0 CDADMM Cc1ccc(F)c(CN2CCC([C@H](O)C(=O)[O-])CC2)c1 ZINC000833749795 604760561 /nfs/dbraw/zinc/76/05/61/604760561.db2.gz VPVNIHIOXMTTEL-AWEZNQCLSA-N -1 1 281.327 1.792 20 0 CDADMM CC(C)CCSCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833484725 605079958 /nfs/dbraw/zinc/07/99/58/605079958.db2.gz UNAFBHFZHXKTSM-NSHDSACASA-N -1 1 299.396 1.301 20 0 CDADMM COc1cccc2c1CC[C@H]2NC1CN(C(=O)[O-])C1 ZINC000829582112 605100359 /nfs/dbraw/zinc/10/03/59/605100359.db2.gz XSPGNADVIAEKPW-GFCCVEGCSA-N -1 1 262.309 1.634 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CC12CCC2 ZINC000833618981 605101277 /nfs/dbraw/zinc/10/12/77/605101277.db2.gz HUNDDFOHEXFJOQ-NEPJUHHUSA-N -1 1 280.368 1.184 20 0 CDADMM CC(C)CCNC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833484264 605135796 /nfs/dbraw/zinc/13/57/96/605135796.db2.gz VVMSBPGZGJZMKM-LBPRGKRZSA-N -1 1 285.388 1.223 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccccc2F)CCN1CCC(=O)[O-] ZINC000833623065 605250372 /nfs/dbraw/zinc/25/03/72/605250372.db2.gz OLCGUVKYSCGCPS-LLVKDONJSA-N -1 1 294.326 1.447 20 0 CDADMM CC(C)Cn1ncnc1CNC1(CC(=O)[O-])CCOCC1 ZINC000833495813 605468760 /nfs/dbraw/zinc/46/87/60/605468760.db2.gz XIPYDYZAKMRVMS-UHFFFAOYSA-N -1 1 296.371 1.048 20 0 CDADMM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000833481160 605746705 /nfs/dbraw/zinc/74/67/05/605746705.db2.gz UMCYCYGHUOBZPI-SRVKXCTJSA-N -1 1 285.388 1.220 20 0 CDADMM CC(C)N(C(=O)CN1CCCCC[C@@H]1C(=O)[O-])C(C)C ZINC000080992126 605849303 /nfs/dbraw/zinc/84/93/03/605849303.db2.gz IJFADSRIDJXHDT-CYBMUJFWSA-N -1 1 284.400 1.961 20 0 CDADMM CC(C)CCCCCC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000820072072 606184349 /nfs/dbraw/zinc/18/43/49/606184349.db2.gz ANPQTNDZPHWLAX-UHFFFAOYSA-N -1 1 291.359 1.892 20 0 CDADMM COCCCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821687242 606511752 /nfs/dbraw/zinc/51/17/52/606511752.db2.gz VQOPQETXPCYROG-UHFFFAOYSA-N -1 1 281.341 1.085 20 0 CDADMM COCCCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821687242 606511754 /nfs/dbraw/zinc/51/17/54/606511754.db2.gz VQOPQETXPCYROG-UHFFFAOYSA-N -1 1 281.341 1.085 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccoc1 ZINC000823436521 606519376 /nfs/dbraw/zinc/51/93/76/606519376.db2.gz ZHUNTPPRVFLDBW-UHFFFAOYSA-N -1 1 271.236 1.212 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccoc1 ZINC000823436521 606519377 /nfs/dbraw/zinc/51/93/77/606519377.db2.gz ZHUNTPPRVFLDBW-UHFFFAOYSA-N -1 1 271.236 1.212 20 0 CDADMM C[C@H](CCCO)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820243162 606732761 /nfs/dbraw/zinc/73/27/61/606732761.db2.gz WYBJROOODBNILS-SNVBAGLBSA-N -1 1 298.350 1.988 20 0 CDADMM C[C@H](CCCO)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820243162 606732762 /nfs/dbraw/zinc/73/27/62/606732762.db2.gz WYBJROOODBNILS-SNVBAGLBSA-N -1 1 298.350 1.988 20 0 CDADMM C[C@H]1N(c2cccc(-c3nnn[n-]3)n2)CCOC1(C)C ZINC000820819194 606876810 /nfs/dbraw/zinc/87/68/10/606876810.db2.gz GHIWCMOFILJRHF-SECBINFHSA-N -1 1 274.328 1.265 20 0 CDADMM C[C@H]1N(c2cccc(-c3nn[n-]n3)n2)CCOC1(C)C ZINC000820819194 606876812 /nfs/dbraw/zinc/87/68/12/606876812.db2.gz GHIWCMOFILJRHF-SECBINFHSA-N -1 1 274.328 1.265 20 0 CDADMM C[C@H]1OCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)[C@H]1C ZINC000820820338 607029509 /nfs/dbraw/zinc/02/95/09/607029509.db2.gz OAIMTUHMURHPEG-JGVFFNPUSA-N -1 1 294.746 1.529 20 0 CDADMM C[C@H]1OCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)[C@H]1C ZINC000820820338 607029512 /nfs/dbraw/zinc/02/95/12/607029512.db2.gz OAIMTUHMURHPEG-JGVFFNPUSA-N -1 1 294.746 1.529 20 0 CDADMM C[C@@H]1CC[C@H](CC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000820685320 607042804 /nfs/dbraw/zinc/04/28/04/607042804.db2.gz UBEKKOCCUVQRPA-SFYZADRCSA-N -1 1 275.316 1.112 20 0 CDADMM COc1ccccc1Cn1cccc(-c2nn[n-]n2)c1=O ZINC000095318527 607110607 /nfs/dbraw/zinc/11/06/07/607110607.db2.gz RHVWJQKNAZHHAZ-UHFFFAOYSA-N -1 1 283.291 1.085 20 0 CDADMM O=c1c(-c2nn[n-]n2)cn(CCCF)c2ccccc12 ZINC000823656968 607166741 /nfs/dbraw/zinc/16/67/41/607166741.db2.gz KSHDQUJNMCTWSM-UHFFFAOYSA-N -1 1 273.271 1.541 20 0 CDADMM Cc1nc(CNc2n[nH]cc2-c2nnn[n-]2)sc1C ZINC000822444133 607225247 /nfs/dbraw/zinc/22/52/47/607225247.db2.gz CQIUYLXAVZRTTD-UHFFFAOYSA-N -1 1 276.329 1.275 20 0 CDADMM Cc1nc(CNc2n[nH]cc2-c2nn[n-]n2)sc1C ZINC000822444133 607225248 /nfs/dbraw/zinc/22/52/48/607225248.db2.gz CQIUYLXAVZRTTD-UHFFFAOYSA-N -1 1 276.329 1.275 20 0 CDADMM CC(C)(O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000095205322 607874554 /nfs/dbraw/zinc/87/45/54/607874554.db2.gz BBBDUERQIOJQGG-UHFFFAOYSA-N -1 1 252.249 1.156 20 0 CDADMM CC(C)(O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000095205322 607874555 /nfs/dbraw/zinc/87/45/55/607874555.db2.gz BBBDUERQIOJQGG-UHFFFAOYSA-N -1 1 252.249 1.156 20 0 CDADMM Clc1nsc(N2C[C@H]3CCC[C@H]32)c1-c1nnn[n-]1 ZINC000826353692 608186386 /nfs/dbraw/zinc/18/63/86/608186386.db2.gz AILHIALFGFHCHL-PHDIDXHHSA-N -1 1 282.760 1.965 20 0 CDADMM Clc1nsc(N2C[C@H]3CCC[C@H]32)c1-c1nn[n-]n1 ZINC000826353692 608186387 /nfs/dbraw/zinc/18/63/87/608186387.db2.gz AILHIALFGFHCHL-PHDIDXHHSA-N -1 1 282.760 1.965 20 0 CDADMM CC(C)(O)[C@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000824171880 608193903 /nfs/dbraw/zinc/19/39/03/608193903.db2.gz GEMAGDGEWGKSTA-SNVBAGLBSA-N -1 1 274.328 1.001 20 0 CDADMM CC(C)(O)[C@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000824171880 608193904 /nfs/dbraw/zinc/19/39/04/608193904.db2.gz GEMAGDGEWGKSTA-SNVBAGLBSA-N -1 1 274.328 1.001 20 0 CDADMM C[C@@H]1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824928203 608396813 /nfs/dbraw/zinc/39/68/13/608396813.db2.gz SGJCDATZDDGEKU-NXEZZACHSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824928203 608396814 /nfs/dbraw/zinc/39/68/14/608396814.db2.gz SGJCDATZDDGEKU-NXEZZACHSA-N -1 1 273.344 1.672 20 0 CDADMM Cc1ccc(CC[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)o1 ZINC000826287520 608424462 /nfs/dbraw/zinc/42/44/62/608424462.db2.gz SENQZSNEVJDONS-VIFPVBQESA-N -1 1 299.338 1.991 20 0 CDADMM Cc1ccc(CC[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)o1 ZINC000826287520 608424465 /nfs/dbraw/zinc/42/44/65/608424465.db2.gz SENQZSNEVJDONS-VIFPVBQESA-N -1 1 299.338 1.991 20 0 CDADMM Clc1ccc(Oc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC000826353053 608434621 /nfs/dbraw/zinc/43/46/21/608434621.db2.gz ZFIUIYZGUSVXCU-UHFFFAOYSA-N -1 1 275.659 1.497 20 0 CDADMM Clc1ccc(Oc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC000826353053 608434623 /nfs/dbraw/zinc/43/46/23/608434623.db2.gz ZFIUIYZGUSVXCU-UHFFFAOYSA-N -1 1 275.659 1.497 20 0 CDADMM CC1(C)C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC000824790156 608437035 /nfs/dbraw/zinc/43/70/35/608437035.db2.gz KXIMLXAAVIQQEA-MRVPVSSYSA-N -1 1 275.316 1.026 20 0 CDADMM CC1(C)C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC000824790156 608437034 /nfs/dbraw/zinc/43/70/34/608437034.db2.gz KXIMLXAAVIQQEA-MRVPVSSYSA-N -1 1 275.316 1.026 20 0 CDADMM CN(Cc1ccon1)Cc1ccc(-c2nn[n-]n2)s1 ZINC000825986214 608717422 /nfs/dbraw/zinc/71/74/22/608717422.db2.gz TXBCHLLYHBTUFT-UHFFFAOYSA-N -1 1 276.325 1.548 20 0 CDADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)CCO1 ZINC000824894292 608764632 /nfs/dbraw/zinc/76/46/32/608764632.db2.gz XOUFAWFMIPQSFY-SFYZADRCSA-N -1 1 293.352 1.226 20 0 CDADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000824894292 608764633 /nfs/dbraw/zinc/76/46/33/608764633.db2.gz XOUFAWFMIPQSFY-SFYZADRCSA-N -1 1 293.352 1.226 20 0 CDADMM CC(C)N(Cc1ccc(-c2nnn[n-]2)o1)CC(F)F ZINC000824293092 608845361 /nfs/dbraw/zinc/84/53/61/608845361.db2.gz FJNFSOVLIINZJR-UHFFFAOYSA-N -1 1 271.271 1.935 20 0 CDADMM CC(C)N(Cc1ccc(-c2nn[n-]n2)o1)CC(F)F ZINC000824293092 608845364 /nfs/dbraw/zinc/84/53/64/608845364.db2.gz FJNFSOVLIINZJR-UHFFFAOYSA-N -1 1 271.271 1.935 20 0 CDADMM Clc1ccc(N2CC=CCC2)nc1-c1nnn[n-]1 ZINC000826352191 609430545 /nfs/dbraw/zinc/43/05/45/609430545.db2.gz QYTXSOBQTATLKI-UHFFFAOYSA-N -1 1 262.704 1.681 20 0 CDADMM Clc1ccc(N2CC=CCC2)nc1-c1nn[n-]n1 ZINC000826352191 609430547 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CC[C@H](C(=O)Nc1ccc(C(=O)[O-])nc1)N(C)C ZINC000910339284 629016068 /nfs/dbraw/zinc/01/60/68/629016068.db2.gz WYJICBGHXOMKEE-SNVBAGLBSA-N -1 1 251.286 1.059 20 0 CDADMM COCCOCCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910984151 629136675 /nfs/dbraw/zinc/13/66/75/629136675.db2.gz MRCYJHULVABGJG-UHFFFAOYSA-N -1 1 275.251 1.662 20 0 CDADMM CCCN(C)CC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC000911072465 629164529 /nfs/dbraw/zinc/16/45/29/629164529.db2.gz HVXNPTOWDCCICD-UHFFFAOYSA-N -1 1 264.325 1.974 20 0 CDADMM CC[C@H](C(=O)[O-])C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000911193090 629193951 /nfs/dbraw/zinc/19/39/51/629193951.db2.gz HYXKHFANLFOLMO-STQMWFEESA-N -1 1 296.342 1.655 20 0 CDADMM CC[C@H]1CN(C)CCN1C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000911375243 629255891 /nfs/dbraw/zinc/25/58/91/629255891.db2.gz AVMWLDZAKXUXAA-AWEZNQCLSA-N -1 1 290.363 1.480 20 0 CDADMM O=C([O-])C1(C(=O)Nc2cc(Cl)c(O)cc2F)CC1 ZINC000911420822 629264061 /nfs/dbraw/zinc/26/40/61/629264061.db2.gz GDNVKMZSNVDFPB-UHFFFAOYSA-N -1 1 273.647 1.988 20 0 CDADMM CCCN(C(=O)CN(CC)C1CC1)[C@H](C)C(=O)[O-] ZINC000911709486 629424870 /nfs/dbraw/zinc/42/48/70/629424870.db2.gz UVELZCYMEQCLNM-SNVBAGLBSA-N -1 1 256.346 1.182 20 0 CDADMM CN1CCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1(C)C ZINC000911723068 629439605 /nfs/dbraw/zinc/43/96/05/629439605.db2.gz SUIOGCVFLYKRKN-UHFFFAOYSA-N -1 1 294.395 1.574 20 0 CDADMM O=C([O-])c1ccc(C(=O)N2CC[C@H](c3nc[nH]n3)C2)cc1 ZINC000911771336 629486439 /nfs/dbraw/zinc/48/64/39/629486439.db2.gz BALKLSLMMCMKOO-NSHDSACASA-N -1 1 286.291 1.133 20 0 CDADMM CN(C(=O)CCCC(=O)c1ccccc1)c1nn[n-]n1 ZINC000912618334 630087905 /nfs/dbraw/zinc/08/79/05/630087905.db2.gz PVFSCAAROGGBHI-UHFFFAOYSA-N -1 1 273.296 1.216 20 0 CDADMM CC[C@H](C)[C@@H](C)C(=O)N[C@@H](CCSC)c1nn[n-]n1 ZINC000912862555 630250223 /nfs/dbraw/zinc/25/02/23/630250223.db2.gz PSDMFPRIKKDEJN-AEJSXWLSSA-N -1 1 285.417 1.792 20 0 CDADMM Cc1cc(C)c(C(=O)N2CCOC[C@H]2c2nn[n-]n2)s1 ZINC000913493754 630501088 /nfs/dbraw/zinc/50/10/88/630501088.db2.gz HYJUJJAXWGDFIP-VIFPVBQESA-N -1 1 293.352 1.092 20 0 CDADMM O=C(C=Cc1ccccc1)N1CCC(c2nn[n-]n2)CC1 ZINC000913742330 630741955 /nfs/dbraw/zinc/74/19/55/630741955.db2.gz VQQVTWTZTLVBAA-VOTSOKGWSA-N -1 1 283.335 1.619 20 0 CDADMM C[C@H](C(=O)N1CCC(c2nn[n-]n2)CC1)c1ccccn1 ZINC000913744940 630743155 /nfs/dbraw/zinc/74/31/55/630743155.db2.gz KYOLPQBHSFGIBM-JTQLQIEISA-N -1 1 286.339 1.104 20 0 CDADMM C[C@@H]1CC(C(=O)N2CCC(c3nn[n-]n3)CC2)C[C@@H](C)C1 ZINC000913744680 630743165 /nfs/dbraw/zinc/74/31/65/630743165.db2.gz ZFUVECNIIGVCNN-QWRGUYRKSA-N -1 1 291.399 1.978 20 0 CDADMM O=C(c1ccoc1C1CC1)N1CCC(c2nn[n-]n2)CC1 ZINC000913744748 630743192 /nfs/dbraw/zinc/74/31/92/630743192.db2.gz BTKKOBCVINZZPC-UHFFFAOYSA-N -1 1 287.323 1.690 20 0 CDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913744445 630743285 /nfs/dbraw/zinc/74/32/85/630743285.db2.gz OYUWWRSTMNTCTG-FZMZJTMJSA-N -1 1 277.372 1.588 20 0 CDADMM COCC1(C(=O)N2CCC(c3nn[n-]n3)CC2)CCCC1 ZINC000913746381 630744359 /nfs/dbraw/zinc/74/43/59/630744359.db2.gz RBQBSMCDAIWTOV-UHFFFAOYSA-N -1 1 293.371 1.113 20 0 CDADMM CC[C@@H]1CCC[C@@H]1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913746426 630744388 /nfs/dbraw/zinc/74/43/88/630744388.db2.gz SQEVWGPVTNVILQ-PWSUYJOCSA-N -1 1 277.372 1.732 20 0 CDADMM CCc1ccc(C(=O)Nn2nnc(C)c2C)c([O-])c1 ZINC000914021879 630975111 /nfs/dbraw/zinc/97/51/11/630975111.db2.gz DSRNJAAFXDTYGH-UHFFFAOYSA-N -1 1 260.297 1.547 20 0 CDADMM Cc1cc(C(=O)[N-]NC(=O)[C@@H](C)c2ccsc2)n[nH]1 ZINC000153048156 631449167 /nfs/dbraw/zinc/44/91/67/631449167.db2.gz PZDIOJIIHHXSMX-QMMMGPOBSA-N -1 1 278.337 1.344 20 0 CDADMM COc1ccccc1NC(=O)CN[C@@H](C(=O)[O-])C(C)C ZINC000035391186 632061211 /nfs/dbraw/zinc/06/12/11/632061211.db2.gz WENLPMXMKYDBIA-CYBMUJFWSA-N -1 1 280.324 1.333 20 0 CDADMM CCc1cc(=O)[n-]c(SC[C@](C)(O)C(F)F)n1 ZINC000917513359 632232312 /nfs/dbraw/zinc/23/23/12/632232312.db2.gz QXVRZKLWDKSJDA-JTQLQIEISA-N -1 1 264.297 1.853 20 0 CDADMM C[C@H]1COC[C@@H]1[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000921498873 633016609 /nfs/dbraw/zinc/01/66/09/633016609.db2.gz NWGXWAZUVUFLCI-KWQFWETISA-N -1 1 299.323 1.885 20 0 CDADMM Cc1nc(C)c(Nc2[n-]c(=O)nc3nc[nH]c32)nc1C ZINC001170227615 1162317913 /nfs/dbraw/zinc/31/79/13/1162317913.db2.gz PWSPDBGNSDCMBI-UHFFFAOYSA-N -1 1 271.284 1.517 20 0 CDADMM COC(=O)c1scc(C)c1[N-]S(=O)(=O)CC1CC1 ZINC000128705323 1158458780 /nfs/dbraw/zinc/45/87/80/1158458780.db2.gz MRXVBMIQIXNFNY-UHFFFAOYSA-N -1 1 289.378 1.995 20 0 CDADMM COc1cccc(C[N-]S(=O)(=O)c2c(C)noc2C)n1 ZINC000128891823 1158675479 /nfs/dbraw/zinc/67/54/79/1158675479.db2.gz JQOSAUWJEAGXGE-UHFFFAOYSA-N -1 1 297.336 1.174 20 0 CDADMM CCCC1(C(=O)Nc2ncc(-c3nnn[n-]3)s2)CC1 ZINC001604151486 1163108851 /nfs/dbraw/zinc/10/88/51/1163108851.db2.gz JDZAQPMAHVOGTB-UHFFFAOYSA-N -1 1 278.341 1.842 20 0 CDADMM CCCC1(C(=O)Nc2ncc(-c3nn[n-]n3)s2)CC1 ZINC001604151486 1163108857 /nfs/dbraw/zinc/10/88/57/1163108857.db2.gz JDZAQPMAHVOGTB-UHFFFAOYSA-N -1 1 278.341 1.842 20 0 CDADMM CCN(Cc1occc1C)c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001604328232 1163151936 /nfs/dbraw/zinc/15/19/36/1163151936.db2.gz WEBLHOJNQQECDX-UHFFFAOYSA-N -1 1 299.338 1.893 20 0 CDADMM CCN(Cc1occc1C)c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001604328232 1163151940 /nfs/dbraw/zinc/15/19/40/1163151940.db2.gz WEBLHOJNQQECDX-UHFFFAOYSA-N -1 1 299.338 1.893 20 0 CDADMM Cc1nonc1C(=O)[N-]c1cc2oc(=O)n(C)c2cc1F ZINC001626105339 1161508816 /nfs/dbraw/zinc/50/88/16/1161508816.db2.gz DYCMCOBCMRPWNK-UHFFFAOYSA-N -1 1 292.226 1.214 20 0 CDADMM CCc1ccccc1Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001604533062 1163221874 /nfs/dbraw/zinc/22/18/74/1163221874.db2.gz KJLJZVIDSHDORB-UHFFFAOYSA-N -1 1 281.319 1.639 20 0 CDADMM Cc1[nH]n(-c2cccnc2Cl)c(=O)c1CC(=O)[O-] ZINC001604616142 1163250970 /nfs/dbraw/zinc/25/09/70/1163250970.db2.gz JGBIDJKLDKQHON-ZETCQYMHSA-N -1 1 267.672 1.548 20 0 CDADMM CN(C(=O)c1cccc(F)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC001604659917 1163271471 /nfs/dbraw/zinc/27/14/71/1163271471.db2.gz OEPRJNQKPXCCAH-UHFFFAOYSA-N -1 1 299.269 1.072 20 0 CDADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCC(C)(C)C1 ZINC001604832059 1163344981 /nfs/dbraw/zinc/34/49/81/1163344981.db2.gz ZXFUUTCXZDANCW-VIFPVBQESA-N -1 1 273.344 1.672 20 0 CDADMM CC[C@](C)(CC(=O)[O-])NCc1n[nH]cc1Br ZINC001604903095 1163376098 /nfs/dbraw/zinc/37/60/98/1163376098.db2.gz GSIKHDJSPNJXNP-SNVBAGLBSA-N -1 1 290.161 1.905 20 0 CDADMM COCc1ccc(Cn2cc(-c3nn[n-]n3)ccc2=O)cc1 ZINC001605134248 1163462099 /nfs/dbraw/zinc/46/20/99/1163462099.db2.gz VPXYJVVDCVOHGZ-UHFFFAOYSA-N -1 1 297.318 1.223 20 0 CDADMM COc1cccc(CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001605318280 1163523798 /nfs/dbraw/zinc/52/37/98/1163523798.db2.gz RAKBHNIYUNRHTJ-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM COc1cccc(CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001605318280 1163523802 /nfs/dbraw/zinc/52/38/02/1163523802.db2.gz RAKBHNIYUNRHTJ-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM CCOC(=O)C1(C)CC(NCc2cc(C(=O)[O-])co2)C1 ZINC001605516646 1163593405 /nfs/dbraw/zinc/59/34/05/1163593405.db2.gz BCSICFDEPWHOJL-UHFFFAOYSA-N -1 1 281.308 1.799 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)C2CCCC2)n1 ZINC001605583435 1163615354 /nfs/dbraw/zinc/61/53/54/1163615354.db2.gz LIKZMFGISWDMFP-SECBINFHSA-N -1 1 273.344 1.956 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)C2CCCC2)n1 ZINC001605583435 1163615358 /nfs/dbraw/zinc/61/53/58/1163615358.db2.gz LIKZMFGISWDMFP-SECBINFHSA-N -1 1 273.344 1.956 20 0 CDADMM Cc1cc(NC[C@H]2CCO[C@@H](C)C2)nc(-c2nnn[n-]2)c1 ZINC001605730588 1163653255 /nfs/dbraw/zinc/65/32/55/1163653255.db2.gz FOIOXRAVKRWKGS-QWRGUYRKSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(NC[C@H]2CCO[C@@H](C)C2)nc(-c2nn[n-]n2)c1 ZINC001605730588 1163653257 /nfs/dbraw/zinc/65/32/57/1163653257.db2.gz FOIOXRAVKRWKGS-QWRGUYRKSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(NC[C@H]2CCOC[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001605732601 1163655463 /nfs/dbraw/zinc/65/54/63/1163655463.db2.gz RADOGOYMSQQBNO-MWLCHTKSSA-N -1 1 288.355 1.655 20 0 CDADMM Cc1cc(NC[C@H]2CCOC[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001605732601 1163655467 /nfs/dbraw/zinc/65/54/67/1163655467.db2.gz RADOGOYMSQQBNO-MWLCHTKSSA-N -1 1 288.355 1.655 20 0 CDADMM Cc1ccc(N(C)[C@@H]2CCCC[C@H]2O)nc1-c1nnn[n-]1 ZINC001605866096 1163697937 /nfs/dbraw/zinc/69/79/37/1163697937.db2.gz JQWSMXHGFOAVRW-GHMZBOCLSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1ccc(N(C)[C@@H]2CCCC[C@H]2O)nc1-c1nn[n-]n1 ZINC001605866096 1163697942 /nfs/dbraw/zinc/69/79/42/1163697942.db2.gz JQWSMXHGFOAVRW-GHMZBOCLSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1ccc(NCC(C)(C)CCCO)c(-c2nnn[n-]2)n1 ZINC001605874716 1163702234 /nfs/dbraw/zinc/70/22/34/1163702234.db2.gz NYKOTSIVXUDWJA-UHFFFAOYSA-N -1 1 290.371 1.781 20 0 CDADMM Cc1ccc(NCC(C)(C)CCCO)c(-c2nn[n-]n2)n1 ZINC001605874716 1163702237 /nfs/dbraw/zinc/70/22/37/1163702237.db2.gz NYKOTSIVXUDWJA-UHFFFAOYSA-N -1 1 290.371 1.781 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC(C)(CC(F)F)C2)n1 ZINC001606020031 1163748635 /nfs/dbraw/zinc/74/86/35/1163748635.db2.gz QFIIUFZCPUNKQA-UHFFFAOYSA-N -1 1 295.297 1.447 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC(C)(CC(F)F)C2)n1 ZINC001606020031 1163748642 /nfs/dbraw/zinc/74/86/42/1163748642.db2.gz QFIIUFZCPUNKQA-UHFFFAOYSA-N -1 1 295.297 1.447 20 0 CDADMM CN(C[C@H]1CC(C)(C)CO1)[C@H](COC1CCC1)C(=O)[O-] ZINC001606096836 1163772761 /nfs/dbraw/zinc/77/27/61/1163772761.db2.gz QCHXJOLMNLGOJX-CHWSQXEVSA-N -1 1 285.384 1.756 20 0 CDADMM Cc1ncsc1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001606104206 1163774187 /nfs/dbraw/zinc/77/41/87/1163774187.db2.gz DTLAZFVAOXXKRW-UHFFFAOYSA-N -1 1 273.325 1.061 20 0 CDADMM Cc1ncsc1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001606104206 1163774189 /nfs/dbraw/zinc/77/41/89/1163774189.db2.gz DTLAZFVAOXXKRW-UHFFFAOYSA-N -1 1 273.325 1.061 20 0 CDADMM Cc1nn(C)cc1CNc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001606115351 1163776750 /nfs/dbraw/zinc/77/67/50/1163776750.db2.gz XCZGOQBEYUWGHC-UHFFFAOYSA-N -1 1 299.342 1.121 20 0 CDADMM Cc1nn(C)cc1CNc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001606115351 1163776756 /nfs/dbraw/zinc/77/67/56/1163776756.db2.gz XCZGOQBEYUWGHC-UHFFFAOYSA-N -1 1 299.342 1.121 20 0 CDADMM Cc1nsc(N[C@@H]2CCOC[C@H]2C)c1-c1nn[n-]n1 ZINC001606155782 1163789029 /nfs/dbraw/zinc/78/90/29/1163789029.db2.gz GVQLDGJKGAJECX-HTRCEHHLSA-N -1 1 280.357 1.469 20 0 CDADMM Cc1nsc(NCC(C)(C)CCCO)c1-c1nn[n-]n1 ZINC001606156348 1163792496 /nfs/dbraw/zinc/79/24/96/1163792496.db2.gz AYYHHZKWJGYQIO-UHFFFAOYSA-N -1 1 296.400 1.842 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@H]1C[C@H]2C[C@H]2C1 ZINC001606170666 1163796258 /nfs/dbraw/zinc/79/62/58/1163796258.db2.gz MNLKMYCMWKKRQU-OWUUHHOZSA-N -1 1 288.307 1.971 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@H]1C[C@H]2C[C@H]2C1 ZINC001606170666 1163796267 /nfs/dbraw/zinc/79/62/67/1163796267.db2.gz MNLKMYCMWKKRQU-OWUUHHOZSA-N -1 1 288.307 1.971 20 0 CDADMM CN1CC[C@@H]1CNC(=O)Nc1cc(C(=O)[O-])cs1 ZINC001606218973 1163816189 /nfs/dbraw/zinc/81/61/89/1163816189.db2.gz OMUIKBYXJKPPNG-MRVPVSSYSA-N -1 1 269.326 1.272 20 0 CDADMM Fc1cccc(Oc2nccnc2F)c1-c1nnn[n-]1 ZINC001606333392 1163864368 /nfs/dbraw/zinc/86/43/68/1163864368.db2.gz VLHVYBNJZZDACU-UHFFFAOYSA-N -1 1 276.206 1.727 20 0 CDADMM Fc1cccc(Oc2nccnc2F)c1-c1nn[n-]n1 ZINC001606333392 1163864375 /nfs/dbraw/zinc/86/43/75/1163864375.db2.gz VLHVYBNJZZDACU-UHFFFAOYSA-N -1 1 276.206 1.727 20 0 CDADMM O=C(NC(C1CC1)C1CC1)c1coc(-c2nnn[n-]2)c1 ZINC001606632588 1163942708 /nfs/dbraw/zinc/94/27/08/1163942708.db2.gz DNAPYENCOFUBDE-UHFFFAOYSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(NC(C1CC1)C1CC1)c1coc(-c2nn[n-]n2)c1 ZINC001606632588 1163942717 /nfs/dbraw/zinc/94/27/17/1163942717.db2.gz DNAPYENCOFUBDE-UHFFFAOYSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H]1C[C@@H]1C1CCCC1 ZINC001606892576 1164024996 /nfs/dbraw/zinc/02/49/96/1164024996.db2.gz PLYGQSDVLROHSG-BDAKNGLRSA-N -1 1 287.327 1.355 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H]1C[C@@H]1C1CCCC1 ZINC001606892576 1164025004 /nfs/dbraw/zinc/02/50/04/1164025004.db2.gz PLYGQSDVLROHSG-BDAKNGLRSA-N -1 1 287.327 1.355 20 0 CDADMM O=C(Nc1cccc2c1OCO2)c1ccc(-c2nn[n-]n2)o1 ZINC001606937962 1164035341 /nfs/dbraw/zinc/03/53/41/1164035341.db2.gz CWZFFLRVTYPQQO-UHFFFAOYSA-N -1 1 299.246 1.441 20 0 CDADMM O=C(O[C@H]1C=CCC1)c1csc(-c2nnn[n-]2)c1 ZINC001606963133 1164038938 /nfs/dbraw/zinc/03/89/38/1164038938.db2.gz UOTKVTHXQZTXGR-QMMMGPOBSA-N -1 1 262.294 1.804 20 0 CDADMM O=C(O[C@H]1C=CCC1)c1csc(-c2nn[n-]n2)c1 ZINC001606963133 1164038943 /nfs/dbraw/zinc/03/89/43/1164038943.db2.gz UOTKVTHXQZTXGR-QMMMGPOBSA-N -1 1 262.294 1.804 20 0 CDADMM O=C(O[C@H]1CCc2cccnc21)c1coc(-c2nnn[n-]2)c1 ZINC001606964621 1164041163 /nfs/dbraw/zinc/04/11/63/1164041163.db2.gz XWWRXWSSAJNBIC-JTQLQIEISA-N -1 1 297.274 1.699 20 0 CDADMM O=C(O[C@H]1CCc2cccnc21)c1coc(-c2nn[n-]n2)c1 ZINC001606964621 1164041170 /nfs/dbraw/zinc/04/11/70/1164041170.db2.gz XWWRXWSSAJNBIC-JTQLQIEISA-N -1 1 297.274 1.699 20 0 CDADMM CC1(C)[C@@H]2C[C@H](Nc3[nH]c(=O)nc4[n-]c(=O)[nH]c43)C[C@@H]21 ZINC001170726640 1164046706 /nfs/dbraw/zinc/04/67/06/1164046706.db2.gz HBQHILNHWFJFDZ-KVSKUHBBSA-N -1 1 275.312 1.562 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C(F)=C1CCC1 ZINC001606982343 1164049404 /nfs/dbraw/zinc/04/94/04/1164049404.db2.gz NFVBOUFOULXJFY-UHFFFAOYSA-N -1 1 289.270 1.712 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C(F)=C1CCC1 ZINC001606982343 1164049410 /nfs/dbraw/zinc/04/94/10/1164049410.db2.gz NFVBOUFOULXJFY-UHFFFAOYSA-N -1 1 289.270 1.712 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC2(CCCC2)C1 ZINC001607025535 1164063233 /nfs/dbraw/zinc/06/32/33/1164063233.db2.gz IDDWBQLNYUTVHC-UHFFFAOYSA-N -1 1 298.350 1.668 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC2(CCCC2)C1 ZINC001607025535 1164063240 /nfs/dbraw/zinc/06/32/40/1164063240.db2.gz IDDWBQLNYUTVHC-UHFFFAOYSA-N -1 1 298.350 1.668 20 0 CDADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC[C@@H](F)C1 ZINC001607031819 1164065856 /nfs/dbraw/zinc/06/58/56/1164065856.db2.gz KZVBMAFASOOGSI-MRVPVSSYSA-N -1 1 281.316 1.502 20 0 CDADMM O=c1c(-c2nn[n-]n2)cc(Br)cn1CC1CC1 ZINC001607089304 1164075377 /nfs/dbraw/zinc/07/53/77/1164075377.db2.gz OCSSDCWWGDVJBU-UHFFFAOYSA-N -1 1 296.128 1.201 20 0 CDADMM c1ccc(C[C@@H]2C[C@H]2Nc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001607129649 1164109327 /nfs/dbraw/zinc/10/93/27/1164109327.db2.gz NLHIAIRTLQOGSZ-TZMCWYRMSA-N -1 1 292.346 1.727 20 0 CDADMM c1ccc(C[C@@H]2C[C@H]2Nc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001607129649 1164109331 /nfs/dbraw/zinc/10/93/31/1164109331.db2.gz NLHIAIRTLQOGSZ-TZMCWYRMSA-N -1 1 292.346 1.727 20 0 CDADMM c1ccc([C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001607129651 1164111103 /nfs/dbraw/zinc/11/11/03/1164111103.db2.gz NNOWLUCIZKMBIJ-LBPRGKRZSA-N -1 1 293.334 1.651 20 0 CDADMM c1ccc([C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001607129651 1164111108 /nfs/dbraw/zinc/11/11/08/1164111108.db2.gz NNOWLUCIZKMBIJ-LBPRGKRZSA-N -1 1 293.334 1.651 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCCCOCC2CC2)c1 ZINC001607133765 1164112512 /nfs/dbraw/zinc/11/25/12/1164112512.db2.gz PBINTDGOHWFSHT-UHFFFAOYSA-N -1 1 274.328 1.490 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCCCOCC2CC2)c1 ZINC001607133765 1164112517 /nfs/dbraw/zinc/11/25/17/1164112517.db2.gz PBINTDGOHWFSHT-UHFFFAOYSA-N -1 1 274.328 1.490 20 0 CDADMM c1ccc2c(c1)CC[C@H]2Nc1cncc(-c2nnn[n-]2)n1 ZINC001607132646 1164113299 /nfs/dbraw/zinc/11/32/99/1164113299.db2.gz PQOGHEGUZFQKJP-LLVKDONJSA-N -1 1 279.307 1.756 20 0 CDADMM c1ccc2c(c1)CC[C@H]2Nc1cncc(-c2nn[n-]n2)n1 ZINC001607132646 1164113302 /nfs/dbraw/zinc/11/33/02/1164113302.db2.gz PQOGHEGUZFQKJP-LLVKDONJSA-N -1 1 279.307 1.756 20 0 CDADMM c1nc(-c2nn[n-]n2)nn1CCSC1CCCCC1 ZINC001607136804 1164116486 /nfs/dbraw/zinc/11/64/86/1164116486.db2.gz BGLOTVXAGMZELB-UHFFFAOYSA-N -1 1 279.373 1.524 20 0 CDADMM c1ncc(N2CCC[C@H]2C2CCC2)nc1-c1nnn[n-]1 ZINC001607139241 1164120876 /nfs/dbraw/zinc/12/08/76/1164120876.db2.gz YJYXJBNODOJSFS-NSHDSACASA-N -1 1 271.328 1.426 20 0 CDADMM c1ncc(N2CCC[C@H]2C2CCC2)nc1-c1nn[n-]n1 ZINC001607139241 1164120880 /nfs/dbraw/zinc/12/08/80/1164120880.db2.gz YJYXJBNODOJSFS-NSHDSACASA-N -1 1 271.328 1.426 20 0 CDADMM COc1ccc(C(=O)[O-])cc1C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC001607215562 1164131054 /nfs/dbraw/zinc/13/10/54/1164131054.db2.gz COXCHKCBAYFADV-JTQLQIEISA-N -1 1 279.292 1.300 20 0 CDADMM Cc1[nH]ncc1CCCNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001607500147 1164210199 /nfs/dbraw/zinc/21/01/99/1164210199.db2.gz MSCMUMOSNZOTPZ-HAQNSBGRSA-N -1 1 293.367 1.658 20 0 CDADMM Cc1ccc2nc(NC(=O)Cn3ccc(C(=O)[O-])n3)[nH]c2c1 ZINC001607828284 1164307303 /nfs/dbraw/zinc/30/73/03/1164307303.db2.gz KAOQMTBAXMQZOM-UHFFFAOYSA-N -1 1 299.290 1.405 20 0 CDADMM Cc1cccc(NC(=O)CN[C@H]2CCO[C@H]2C(=O)[O-])c1C ZINC001607856008 1164314412 /nfs/dbraw/zinc/31/44/12/1164314412.db2.gz SRHJNHJBYTYUJS-GXTWGEPZSA-N -1 1 292.335 1.074 20 0 CDADMM Cc1ccnc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)n1 ZINC001607894200 1164324635 /nfs/dbraw/zinc/32/46/35/1164324635.db2.gz XHLQTEJFCVYPIG-RWMBFGLXSA-N -1 1 275.352 1.860 20 0 CDADMM Cc1nn(C)c(C)c1CNCc1cc(C(=O)[O-])n(C)c1 ZINC001607998872 1164369899 /nfs/dbraw/zinc/36/98/99/1164369899.db2.gz JKMLZSKGBIMSOU-UHFFFAOYSA-N -1 1 276.340 1.363 20 0 CDADMM Cc1oc(C(=O)[O-])cc1CN[C@@H](C)c1ccnn1C ZINC001608036782 1164389784 /nfs/dbraw/zinc/38/97/84/1164389784.db2.gz BSSIXOGCBMUVCF-QMMMGPOBSA-N -1 1 263.297 1.871 20 0 CDADMM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000864117885 1164509905 /nfs/dbraw/zinc/50/99/05/1164509905.db2.gz DSDFWVDVVWWBIA-ZANVPECISA-N -1 1 267.329 1.348 20 0 CDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1cccc(C2CC2)c1 ZINC001608485907 1164524640 /nfs/dbraw/zinc/52/46/40/1164524640.db2.gz HFBXNEZCAZXFDM-AWEZNQCLSA-N -1 1 299.330 1.713 20 0 CDADMM O=C([O-])c1n[nH]cc1NC(=O)c1ccc2cncn2c1 ZINC001608496087 1164527579 /nfs/dbraw/zinc/52/75/79/1164527579.db2.gz IPIPROHOJSXRJG-UHFFFAOYSA-N -1 1 271.236 1.008 20 0 CDADMM O=C([O-])C12CC(C1)CN2Cc1ccnc(Cl)c1 ZINC001608581858 1164555032 /nfs/dbraw/zinc/55/50/32/1164555032.db2.gz GYECQIYJGQORTA-UHFFFAOYSA-N -1 1 252.701 1.784 20 0 CDADMM O=C([O-])[C@@H]1c2ccccc2OCCN1C(=O)c1cc[nH]n1 ZINC001608655544 1164592024 /nfs/dbraw/zinc/59/20/24/1164592024.db2.gz HLWLFLWOGCORTK-LBPRGKRZSA-N -1 1 287.275 1.070 20 0 CDADMM O=C([O-])CC1(CN2CCc3nc(C4CC4)ncc3C2)CC1 ZINC001608677792 1164600512 /nfs/dbraw/zinc/60/05/12/1164600512.db2.gz JNFVZZQSDRRPFN-UHFFFAOYSA-N -1 1 287.363 1.967 20 0 CDADMM O=C([O-])CC1CC[NH+](CCC[N-]C(=O)C(F)(F)F)CC1 ZINC001608698089 1164609854 /nfs/dbraw/zinc/60/98/54/1164609854.db2.gz JCBKQZMNYOGWIX-UHFFFAOYSA-N -1 1 296.289 1.242 20 0 CDADMM O=C([O-])CCN1CC[C@H](Nc2ccc3cnccc3c2)C1=O ZINC001608724738 1164621963 /nfs/dbraw/zinc/62/19/63/1164621963.db2.gz UXDBRRWDBVBSKT-AWEZNQCLSA-N -1 1 299.330 1.722 20 0 CDADMM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2nnc[nH]2)o1 ZINC001608872869 1164667888 /nfs/dbraw/zinc/66/78/88/1164667888.db2.gz UERYKLYKXWNPFU-ZETCQYMHSA-N -1 1 276.252 1.073 20 0 CDADMM O=C([O-])c1cnoc1CN(C1CC1)C1(CO)CCC1 ZINC001608984968 1164706969 /nfs/dbraw/zinc/70/69/69/1164706969.db2.gz YGGXIKRZJSZVIA-UHFFFAOYSA-N -1 1 266.297 1.252 20 0 CDADMM CC(=O)[C@@H](C)OC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001609061737 1164753181 /nfs/dbraw/zinc/75/31/81/1164753181.db2.gz UIJRUMAMPFHRGJ-ZCFIWIBFSA-N -1 1 266.282 1.063 20 0 CDADMM CC(=O)[C@@H](C)OC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609061737 1164753186 /nfs/dbraw/zinc/75/31/86/1164753186.db2.gz UIJRUMAMPFHRGJ-ZCFIWIBFSA-N -1 1 266.282 1.063 20 0 CDADMM CC(C)(C)C[C@@H]1CCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001609074988 1164757133 /nfs/dbraw/zinc/75/71/33/1164757133.db2.gz KWBXJMFIABTGSX-JTQLQIEISA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)(C)C[C@@H]1CCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001609074988 1164757138 /nfs/dbraw/zinc/75/71/38/1164757138.db2.gz KWBXJMFIABTGSX-JTQLQIEISA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)[C@H](F)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001609087994 1164763351 /nfs/dbraw/zinc/76/33/51/1164763351.db2.gz JORAGMSEALKNIQ-QMMMGPOBSA-N -1 1 285.304 1.361 20 0 CDADMM CC(C)[C@H](F)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001609087994 1164763358 /nfs/dbraw/zinc/76/33/58/1164763358.db2.gz JORAGMSEALKNIQ-QMMMGPOBSA-N -1 1 285.304 1.361 20 0 CDADMM CC(C)O[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001609101868 1164771410 /nfs/dbraw/zinc/77/14/10/1164771410.db2.gz QOBKLDZCUJKQQP-DTORHVGOSA-N -1 1 275.316 1.025 20 0 CDADMM CC(C)O[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001609101868 1164771417 /nfs/dbraw/zinc/77/14/17/1164771417.db2.gz QOBKLDZCUJKQQP-DTORHVGOSA-N -1 1 275.316 1.025 20 0 CDADMM C[C@@H]1CC2(CCC2)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001609159418 1164807455 /nfs/dbraw/zinc/80/74/55/1164807455.db2.gz MSHJSXDDYPXWSX-SECBINFHSA-N -1 1 271.328 1.426 20 0 CDADMM C[C@@H]1CC2(CCC2)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001609159418 1164807463 /nfs/dbraw/zinc/80/74/63/1164807463.db2.gz MSHJSXDDYPXWSX-SECBINFHSA-N -1 1 271.328 1.426 20 0 CDADMM CC[C@H]1CCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001609200991 1164843313 /nfs/dbraw/zinc/84/33/13/1164843313.db2.gz USNUZKNFYRFKID-YFKPBYRVSA-N -1 1 270.749 1.965 20 0 CDADMM CC[C@H]1CCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609200991 1164843317 /nfs/dbraw/zinc/84/33/17/1164843317.db2.gz USNUZKNFYRFKID-YFKPBYRVSA-N -1 1 270.749 1.965 20 0 CDADMM CC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H](CC)O1 ZINC001609202419 1164842830 /nfs/dbraw/zinc/84/28/30/1164842830.db2.gz HQLUMHBKVKWIMP-UWVGGRQHSA-N -1 1 289.343 1.051 20 0 CDADMM CC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H](CC)O1 ZINC001609202419 1164842837 /nfs/dbraw/zinc/84/28/37/1164842837.db2.gz HQLUMHBKVKWIMP-UWVGGRQHSA-N -1 1 289.343 1.051 20 0 CDADMM CO[C@@H]1CN(c2cccnc2-c2nnn[n-]2)CC[C@H]1C ZINC001609315772 1164892170 /nfs/dbraw/zinc/89/21/70/1164892170.db2.gz SRXBBPQPYRDPMG-MWLCHTKSSA-N -1 1 274.328 1.123 20 0 CDADMM CO[C@@H]1CN(c2cccnc2-c2nn[n-]n2)CC[C@H]1C ZINC001609315772 1164892179 /nfs/dbraw/zinc/89/21/79/1164892179.db2.gz SRXBBPQPYRDPMG-MWLCHTKSSA-N -1 1 274.328 1.123 20 0 CDADMM COCc1ccc(COc2cccnc2-c2nnn[n-]2)cc1 ZINC001609330514 1164903654 /nfs/dbraw/zinc/90/36/54/1164903654.db2.gz JHAHAAZCUBDYJU-UHFFFAOYSA-N -1 1 297.318 1.987 20 0 CDADMM COCc1ccc(COc2cccnc2-c2nn[n-]n2)cc1 ZINC001609330514 1164903662 /nfs/dbraw/zinc/90/36/62/1164903662.db2.gz JHAHAAZCUBDYJU-UHFFFAOYSA-N -1 1 297.318 1.987 20 0 CDADMM Cc1ccc(CNc2ccnc(-c3nnn[n-]3)c2)c(C)c1 ZINC001609424449 1164941401 /nfs/dbraw/zinc/94/14/01/1164941401.db2.gz LJQWUEPAFHDDHT-UHFFFAOYSA-N -1 1 280.335 1.913 20 0 CDADMM Cc1ccc(CNc2ccnc(-c3nn[n-]n3)c2)c(C)c1 ZINC001609424449 1164941406 /nfs/dbraw/zinc/94/14/06/1164941406.db2.gz LJQWUEPAFHDDHT-UHFFFAOYSA-N -1 1 280.335 1.913 20 0 CDADMM Cc1ncc(COc2cccc(F)c2-c2nnn[n-]2)cn1 ZINC001609455969 1164959523 /nfs/dbraw/zinc/95/95/23/1164959523.db2.gz VLFDYGMXXYEWNR-UHFFFAOYSA-N -1 1 286.270 1.683 20 0 CDADMM Cc1ncc(COc2cccc(F)c2-c2nn[n-]n2)cn1 ZINC001609455969 1164959529 /nfs/dbraw/zinc/95/95/29/1164959529.db2.gz VLFDYGMXXYEWNR-UHFFFAOYSA-N -1 1 286.270 1.683 20 0 CDADMM Cc1nsc(N[C@@H]2CCC[C@H](CO)C2)c1-c1nn[n-]n1 ZINC001609466034 1164962260 /nfs/dbraw/zinc/96/22/60/1164962260.db2.gz ZTYCZVUAPQRZTJ-DTWKUNHWSA-N -1 1 294.384 1.595 20 0 CDADMM Cc1nsc(N2C[C@@H]3[C@H](C2)C3(C)C)c1-c1nn[n-]n1 ZINC001609464575 1164962543 /nfs/dbraw/zinc/96/25/43/1164962543.db2.gz YJEHEPDXSVZRCA-OCAPTIKFSA-N -1 1 276.369 1.724 20 0 CDADMM Fc1ccc2c(c1)CC[C@H]2Nc1cc(-c2nnn[n-]2)ncn1 ZINC001609491562 1164976087 /nfs/dbraw/zinc/97/60/87/1164976087.db2.gz QGNGBCGMGXZVDO-LLVKDONJSA-N -1 1 297.297 1.895 20 0 CDADMM Fc1ccc2c(c1)CC[C@H]2Nc1cc(-c2nn[n-]n2)ncn1 ZINC001609491562 1164976091 /nfs/dbraw/zinc/97/60/91/1164976091.db2.gz QGNGBCGMGXZVDO-LLVKDONJSA-N -1 1 297.297 1.895 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@@H]1CCCS1 ZINC001609577193 1164993070 /nfs/dbraw/zinc/99/30/70/1164993070.db2.gz CKHHJHFZMDBWKD-VIFPVBQESA-N -1 1 291.336 1.201 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@@H]1CCCS1 ZINC001609577193 1164993078 /nfs/dbraw/zinc/99/30/78/1164993078.db2.gz CKHHJHFZMDBWKD-VIFPVBQESA-N -1 1 291.336 1.201 20 0 CDADMM OC1(CCSCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001609607293 1165000287 /nfs/dbraw/zinc/00/02/87/1165000287.db2.gz WAVQPGDURLKBIH-UHFFFAOYSA-N -1 1 283.382 1.471 20 0 CDADMM OC1(CCSCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001609607293 1165000293 /nfs/dbraw/zinc/00/02/93/1165000293.db2.gz WAVQPGDURLKBIH-UHFFFAOYSA-N -1 1 283.382 1.471 20 0 CDADMM c1ccc2c(c1)C[C@H]2CNc1ccnc(-c2nnn[n-]2)c1 ZINC001609618188 1165014796 /nfs/dbraw/zinc/01/47/96/1165014796.db2.gz XIALFAMVMFSPDC-NSHDSACASA-N -1 1 278.319 1.435 20 0 CDADMM c1ccc2c(c1)C[C@H]2CNc1ccnc(-c2nn[n-]n2)c1 ZINC001609618188 1165014800 /nfs/dbraw/zinc/01/48/00/1165014800.db2.gz XIALFAMVMFSPDC-NSHDSACASA-N -1 1 278.319 1.435 20 0 CDADMM c1ccc2c(c1)OC[C@H]2CNc1ccnc(-c2nnn[n-]2)c1 ZINC001609618433 1165015646 /nfs/dbraw/zinc/01/56/46/1165015646.db2.gz GKJWGXLOKBBKQI-SNVBAGLBSA-N -1 1 294.318 1.272 20 0 CDADMM c1ccc2c(c1)OC[C@H]2CNc1ccnc(-c2nn[n-]n2)c1 ZINC001609618433 1165015647 /nfs/dbraw/zinc/01/56/47/1165015647.db2.gz GKJWGXLOKBBKQI-SNVBAGLBSA-N -1 1 294.318 1.272 20 0 CDADMM C[C@@H](N[C@H](C)c1ncc(Br)cn1)C(=O)[O-] ZINC001609779643 1165077470 /nfs/dbraw/zinc/07/74/70/1165077470.db2.gz ZYILQIPHKBBWLJ-PHDIDXHHSA-N -1 1 274.118 1.363 20 0 CDADMM CC1=C(C(=O)[O-])C[C@@H](CN(C)Cc2ccc(C)cn2)O1 ZINC001609829235 1165100542 /nfs/dbraw/zinc/10/05/42/1165100542.db2.gz ZNATUYMDFNNGBU-ZDUSSCGKSA-N -1 1 276.336 1.969 20 0 CDADMM CCN1C(=O)N=NC1S[C@H](C(=O)[O-])c1ccsc1 ZINC001610087097 1165212424 /nfs/dbraw/zinc/21/24/24/1165212424.db2.gz SECUDWDFRSKALL-ZETCQYMHSA-N -1 1 285.350 1.983 20 0 CDADMM Cn1cc(CNCc2n[nH]c(C(C)(C)C)n2)cc1C(=O)[O-] ZINC001610604653 1165375467 /nfs/dbraw/zinc/37/54/67/1165375467.db2.gz MXUAYUYIINHFLK-UHFFFAOYSA-N -1 1 291.355 1.429 20 0 CDADMM O=C([O-])c1cccc(NC(=O)C[N@H+](CCO)C2CCC2)c1 ZINC001610662282 1165400592 /nfs/dbraw/zinc/40/05/92/1165400592.db2.gz UCWOHCBKZUPOFD-UHFFFAOYSA-N -1 1 292.335 1.170 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)Cc3ccon3)[nH]c21 ZINC001610675237 1165403957 /nfs/dbraw/zinc/40/39/57/1165403957.db2.gz KABZVHSXTJFRAD-UHFFFAOYSA-N -1 1 286.247 1.430 20 0 CDADMM COc1ccc2cc(C(=O)NN3CC(=O)[N-]C3=O)ccc2c1 ZINC000025612760 1165696639 /nfs/dbraw/zinc/69/66/39/1165696639.db2.gz ZXJLJYBNTAHZHK-UHFFFAOYSA-N -1 1 299.286 1.045 20 0 CDADMM Cc1nnc(NC(=O)c2cccc([O-])c2F)s1 ZINC001630783549 1166232966 /nfs/dbraw/zinc/23/29/66/1166232966.db2.gz ZHSBEGPDPKKKSK-UHFFFAOYSA-N -1 1 253.258 1.944 20 0 CDADMM COC(=O)CCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000045571195 1166269732 /nfs/dbraw/zinc/26/97/32/1166269732.db2.gz KOMKEKCKIWORII-UHFFFAOYSA-N -1 1 266.179 1.365 20 0 CDADMM Cc1nnn(NC(=O)c2cccc([O-])c2F)c1C ZINC001633487030 1166425133 /nfs/dbraw/zinc/42/51/33/1166425133.db2.gz HCBJVCRYOMEMNS-UHFFFAOYSA-N -1 1 250.233 1.124 20 0 CDADMM CC1(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)CC1 ZINC000349646748 1166592688 /nfs/dbraw/zinc/59/26/88/1166592688.db2.gz REKXNQRQXYKGCX-UHFFFAOYSA-N -1 1 273.296 1.517 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cnc2[nH]ccc2c1 ZINC001637957572 1166806927 /nfs/dbraw/zinc/80/69/27/1166806927.db2.gz MPYZNJYADGCKRP-UHFFFAOYSA-N -1 1 257.253 1.504 20 0 CDADMM O=C(NCc1cc[nH]c(=O)c1)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155269627 1167110923 /nfs/dbraw/zinc/11/09/23/1167110923.db2.gz MQFRWYMAQSKZAB-UHFFFAOYSA-N -1 1 284.275 1.299 20 0 CDADMM CC1(C)C[C@H](CNC(=O)c2[n-][nH]c3cc(=O)ccc2-3)O1 ZINC001155269674 1167111118 /nfs/dbraw/zinc/11/11/18/1167111118.db2.gz ODJLLBWQJUTXNH-SECBINFHSA-N -1 1 275.308 1.566 20 0 CDADMM Cc1cc2nccc(NC(=O)c3ccc([O-])cn3)n2n1 ZINC001642286787 1167166381 /nfs/dbraw/zinc/16/63/81/1167166381.db2.gz OKBIFPKYPDMMNH-UHFFFAOYSA-N -1 1 269.264 1.391 20 0 CDADMM C[C@H](C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)n1cccc1 ZINC001645805622 1167513480 /nfs/dbraw/zinc/51/34/80/1167513480.db2.gz IKNGRKGQNMGLHA-GHMZBOCLSA-N -1 1 290.323 1.544 20 0 CDADMM Cc1nocc1NCc1csc(-c2nn[n-]n2)c1 ZINC001606137894 1167898869 /nfs/dbraw/zinc/89/88/69/1167898869.db2.gz VLTGUFWAFPJTFK-UHFFFAOYSA-N -1 1 262.298 1.837 20 0 CDADMM COc1ccc([C@H](C)CC(=O)OCc2nn[n-]n2)cc1 ZINC001646881981 1168221748 /nfs/dbraw/zinc/22/17/48/1168221748.db2.gz IALZAOHEOXPIET-SECBINFHSA-N -1 1 276.296 1.445 20 0 CDADMM O=C([O-])[C@@H](F)CNCc1cc2cc(Cl)cnc2o1 ZINC001647412269 1168661365 /nfs/dbraw/zinc/66/13/65/1168661365.db2.gz BKWFOHYECLNZHM-VIFPVBQESA-N -1 1 272.663 1.994 20 0 CDADMM Cc1cc(C(=O)N2CCC(c3nn[n-]n3)CC2)oc1C ZINC001647428336 1168680865 /nfs/dbraw/zinc/68/08/65/1168680865.db2.gz UIAGCSIQTUXELV-UHFFFAOYSA-N -1 1 275.312 1.429 20 0 CDADMM C[C@@H](CN(C)C(=O)c1nc(C2CC2)cs1)c1nn[n-]n1 ZINC001649309288 1169186672 /nfs/dbraw/zinc/18/66/72/1169186672.db2.gz HBQXAXPNFDBJOJ-ZETCQYMHSA-N -1 1 292.368 1.409 20 0 CDADMM O=C(COC(=O)[C@@H]1CCSC1)c1ccc([O-])cc1O ZINC001649720126 1169305121 /nfs/dbraw/zinc/30/51/21/1169305121.db2.gz CIOWUKRZCXBSNJ-MRVPVSSYSA-N -1 1 282.317 1.577 20 0 CDADMM CC(C)(NC(=O)c1c([O-])cccc1F)c1ncc[nH]1 ZINC001569041152 1169608653 /nfs/dbraw/zinc/60/86/53/1169608653.db2.gz BLUKZGFASSPQCY-UHFFFAOYSA-N -1 1 263.272 1.920 20 0 CDADMM C[C@H](O)C(=O)Nc1cccc([O-])c1Br ZINC001569379069 1169831078 /nfs/dbraw/zinc/83/10/78/1169831078.db2.gz MPLMNQJIDMJSFV-YFKPBYRVSA-N -1 1 260.087 1.474 20 0 CDADMM C[C@@H]1CN(C[C@@H]2C[C@H]2C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001573648543 1170720208 /nfs/dbraw/zinc/72/02/08/1170720208.db2.gz GSKCHCQUWGRWHV-GRYCIOLGSA-N -1 1 298.383 1.648 20 0 CDADMM Cc1[nH]c(C(=O)N2CCC[C@H]2c2nnc[nH]2)cc1C(=O)[O-] ZINC001574113334 1170884555 /nfs/dbraw/zinc/88/45/55/1170884555.db2.gz ODDIYGMTRMGVCD-JTQLQIEISA-N -1 1 289.295 1.117 20 0 CDADMM Cc1nc(C)c(C(=O)Nc2[nH]nc(C(=O)[O-])c2C)[nH]1 ZINC001574180722 1170909222 /nfs/dbraw/zinc/90/92/22/1170909222.db2.gz LVWOIGYMVLYXAB-UHFFFAOYSA-N -1 1 263.257 1.009 20 0 CDADMM Cc1nnc(CN[C@@H]2CC[C@H](C(F)(F)C(=O)[O-])C2)s1 ZINC001574200335 1170916683 /nfs/dbraw/zinc/91/66/83/1170916683.db2.gz KYEQOBVXZWZADX-JGVFFNPUSA-N -1 1 291.323 1.825 20 0 CDADMM CN(C)c1cccc(CNCc2c[nH]c(C(=O)[O-])c2)n1 ZINC001574553550 1170993619 /nfs/dbraw/zinc/99/36/19/1170993619.db2.gz YAFIWXFHKVLMPA-UHFFFAOYSA-N -1 1 274.324 1.464 20 0 CDADMM C[C@@H](CCNc1ccnc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574671950 1170998459 /nfs/dbraw/zinc/99/84/59/1170998459.db2.gz DBKVGHOBABNJIP-JTQLQIEISA-N -1 1 289.387 1.953 20 0 CDADMM COC(=O)c1ccc(C(=O)OCc2cc(OC)ns2)[n-]1 ZINC001650475728 1171106892 /nfs/dbraw/zinc/10/68/92/1171106892.db2.gz CPCYCVMLVQXYIE-UHFFFAOYSA-N -1 1 296.304 1.623 20 0 CDADMM Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1c[n-][nH]c1=O ZINC001651044127 1171281908 /nfs/dbraw/zinc/28/19/08/1171281908.db2.gz ASVUGHQAFJLNDL-ZCFIWIBFSA-N -1 1 263.301 1.208 20 0 CDADMM COC(=O)[C@@H]1CC[C@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001579468795 1172189417 /nfs/dbraw/zinc/18/94/17/1172189417.db2.gz AKTURBRSQRHEFG-BDAKNGLRSA-N -1 1 288.311 1.015 20 0 CDADMM COC(=O)[C@@H]1CC[C@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001579468795 1172189420 /nfs/dbraw/zinc/18/94/20/1172189420.db2.gz AKTURBRSQRHEFG-BDAKNGLRSA-N -1 1 288.311 1.015 20 0 CDADMM O=C(CCNc1ccccc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001582055631 1172644522 /nfs/dbraw/zinc/64/45/22/1172644522.db2.gz OHAZZKSHONAVSS-UHFFFAOYSA-N -1 1 298.310 1.031 20 0 CDADMM O=C(CCNc1ccccc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001582055631 1172644524 /nfs/dbraw/zinc/64/45/24/1172644524.db2.gz OHAZZKSHONAVSS-UHFFFAOYSA-N -1 1 298.310 1.031 20 0 CDADMM CC1N=NC(C(=O)Nc2cccc3nccnc32)=C1[O-] ZINC001587752003 1172999598 /nfs/dbraw/zinc/99/95/98/1172999598.db2.gz JLTVXFNPGCLOHT-UHFFFAOYSA-N -1 1 269.264 1.619 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC2CCC=CCC2)n1 ZINC001588386960 1173059553 /nfs/dbraw/zinc/05/95/53/1173059553.db2.gz RHMILZJZCCDNDR-UHFFFAOYSA-N -1 1 257.301 1.567 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC2CCC=CCC2)n1 ZINC001588386960 1173059558 /nfs/dbraw/zinc/05/95/58/1173059558.db2.gz RHMILZJZCCDNDR-UHFFFAOYSA-N -1 1 257.301 1.567 20 0 CDADMM CC(C)(F)CCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589312850 1173137924 /nfs/dbraw/zinc/13/79/24/1173137924.db2.gz VTIDZNGRJRFYIJ-UHFFFAOYSA-N -1 1 267.264 1.328 20 0 CDADMM CC(C)(F)CCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589312850 1173137931 /nfs/dbraw/zinc/13/79/31/1173137931.db2.gz VTIDZNGRJRFYIJ-UHFFFAOYSA-N -1 1 267.264 1.328 20 0 CDADMM CC(C)=CCn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2=O ZINC001589380492 1173142147 /nfs/dbraw/zinc/14/21/47/1173142147.db2.gz ZCDLXQHOVBCFJQ-UHFFFAOYSA-N -1 1 299.334 1.514 20 0 CDADMM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001589490895 1173148926 /nfs/dbraw/zinc/14/89/26/1173148926.db2.gz MUEKRRSZDJTDGC-UFBFGSQYSA-N -1 1 275.316 1.211 20 0 CDADMM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001589490895 1173148929 /nfs/dbraw/zinc/14/89/29/1173148929.db2.gz MUEKRRSZDJTDGC-UFBFGSQYSA-N -1 1 275.316 1.211 20 0 CDADMM CC(C)[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)ncn2)CCO1 ZINC001589501472 1173151583 /nfs/dbraw/zinc/15/15/83/1173151583.db2.gz ZVCZQWWXUQUDFA-MWLCHTKSSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)ncn2)CCO1 ZINC001589501472 1173151586 /nfs/dbraw/zinc/15/15/86/1173151586.db2.gz ZVCZQWWXUQUDFA-MWLCHTKSSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001589502071 1173151680 /nfs/dbraw/zinc/15/16/80/1173151680.db2.gz MKNWYFQEDUVHGA-BQBZGAKWSA-N -1 1 278.341 1.554 20 0 CDADMM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001589502071 1173151686 /nfs/dbraw/zinc/15/16/86/1173151686.db2.gz MKNWYFQEDUVHGA-BQBZGAKWSA-N -1 1 278.341 1.554 20 0 CDADMM CC(C)OCCCOc1ccc(F)nc1-c1nnn[n-]1 ZINC001589747409 1173173622 /nfs/dbraw/zinc/17/36/22/1173173622.db2.gz XSEWWRQNYFNPCX-UHFFFAOYSA-N -1 1 281.291 1.595 20 0 CDADMM CC(C)OCCCOc1ccc(F)nc1-c1nn[n-]n1 ZINC001589747409 1173173627 /nfs/dbraw/zinc/17/36/27/1173173627.db2.gz XSEWWRQNYFNPCX-UHFFFAOYSA-N -1 1 281.291 1.595 20 0 CDADMM C[C@@H](CN(C)c1ncncc1-c1nn[n-]n1)C(C)(C)C ZINC001589847595 1173190496 /nfs/dbraw/zinc/19/04/96/1173190496.db2.gz HFFMDMLCUFEYFD-VIFPVBQESA-N -1 1 275.360 1.775 20 0 CDADMM C[C@@H](CNc1ccnc(-c2nnn[n-]2)c1)c1ccccn1 ZINC001589879223 1173193450 /nfs/dbraw/zinc/19/34/50/1173193450.db2.gz QUCNOVIHNAXHJE-JTQLQIEISA-N -1 1 281.323 1.294 20 0 CDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)c1)c1ccccn1 ZINC001589879223 1173193452 /nfs/dbraw/zinc/19/34/52/1173193452.db2.gz QUCNOVIHNAXHJE-JTQLQIEISA-N -1 1 281.323 1.294 20 0 CDADMM CC(F)(F)CCCn1ccn2ncc(-c3nn[n-]n3)c12 ZINC001589910338 1173200281 /nfs/dbraw/zinc/20/02/81/1173200281.db2.gz CGQGOUWSISVQPI-UHFFFAOYSA-N -1 1 281.270 1.751 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc[nH]1 ZINC001589944402 1173206435 /nfs/dbraw/zinc/20/64/35/1173206435.db2.gz IGEHUJBLPPEOIV-QMMMGPOBSA-N -1 1 283.295 1.081 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc[nH]1 ZINC001589944402 1173206440 /nfs/dbraw/zinc/20/64/40/1173206440.db2.gz IGEHUJBLPPEOIV-QMMMGPOBSA-N -1 1 283.295 1.081 20 0 CDADMM C[C@@H](O)[C@H](C)Sc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589994084 1173225598 /nfs/dbraw/zinc/22/55/98/1173225598.db2.gz DGOGEVMFBKQAOV-DMTCNVIQSA-N -1 1 291.789 1.838 20 0 CDADMM C[C@H]([C@H](C)O)n1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001589997634 1173227078 /nfs/dbraw/zinc/22/70/78/1173227078.db2.gz UFOGFWSNJSIYMJ-BDAKNGLRSA-N -1 1 285.307 1.123 20 0 CDADMM C[C@H](O)CCCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589997778 1173228939 /nfs/dbraw/zinc/22/89/39/1173228939.db2.gz DYRCWSXKIJYHNE-ZETCQYMHSA-N -1 1 282.325 1.246 20 0 CDADMM C[C@H](O)CCCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589997778 1173228944 /nfs/dbraw/zinc/22/89/44/1173228944.db2.gz DYRCWSXKIJYHNE-ZETCQYMHSA-N -1 1 282.325 1.246 20 0 CDADMM C[C@@H](OC(=O)c1cccc(F)c1-c1nnn[n-]1)C(F)F ZINC001590010471 1173234900 /nfs/dbraw/zinc/23/49/00/1173234900.db2.gz IPSBXLVWHYAJMS-RXMQYKEDSA-N -1 1 286.213 1.816 20 0 CDADMM C[C@@H](OC(=O)c1cccc(F)c1-c1nn[n-]n1)C(F)F ZINC001590010471 1173234903 /nfs/dbraw/zinc/23/49/03/1173234903.db2.gz IPSBXLVWHYAJMS-RXMQYKEDSA-N -1 1 286.213 1.816 20 0 CDADMM C[C@@]1(C(=O)OCc2ccc(-c3nnn[n-]3)o2)CCCOC1 ZINC001590074403 1173245586 /nfs/dbraw/zinc/24/55/86/1173245586.db2.gz UCEONPXEHWFSNA-CYBMUJFWSA-N -1 1 292.295 1.320 20 0 CDADMM C[C@@]1(C(=O)OCc2ccc(-c3nn[n-]n3)o2)CCCOC1 ZINC001590074403 1173245594 /nfs/dbraw/zinc/24/55/94/1173245594.db2.gz UCEONPXEHWFSNA-CYBMUJFWSA-N -1 1 292.295 1.320 20 0 CDADMM CC1(C)C[C@]1(C)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590087628 1173252330 /nfs/dbraw/zinc/25/23/30/1173252330.db2.gz VAKPGWJOGOYXMH-ZDUSSCGKSA-N -1 1 287.327 1.572 20 0 CDADMM CC1(C)C[C@]1(C)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590087628 1173252333 /nfs/dbraw/zinc/25/23/33/1173252333.db2.gz VAKPGWJOGOYXMH-ZDUSSCGKSA-N -1 1 287.327 1.572 20 0 CDADMM CC1(C)CC[C@@H]1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590093475 1173252984 /nfs/dbraw/zinc/25/29/84/1173252984.db2.gz RMYUPXGEQNRTSU-MRVPVSSYSA-N -1 1 272.312 1.636 20 0 CDADMM CC1(C)CC[C@@H]1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590093475 1173252986 /nfs/dbraw/zinc/25/29/86/1173252986.db2.gz RMYUPXGEQNRTSU-MRVPVSSYSA-N -1 1 272.312 1.636 20 0 CDADMM C[C@@]1(COC(=O)c2ccc(-c3nnn[n-]3)s2)C[C@@H]1F ZINC001590135189 1173268978 /nfs/dbraw/zinc/26/89/78/1173268978.db2.gz BHXJMEHWAKFZFE-KWQFWETISA-N -1 1 282.300 1.833 20 0 CDADMM C[C@@]1(COC(=O)c2ccc(-c3nn[n-]n3)s2)C[C@@H]1F ZINC001590135189 1173268982 /nfs/dbraw/zinc/26/89/82/1173268982.db2.gz BHXJMEHWAKFZFE-KWQFWETISA-N -1 1 282.300 1.833 20 0 CDADMM C[C@@H]1C[C@@H](C)N1C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590190727 1173283215 /nfs/dbraw/zinc/28/32/15/1173283215.db2.gz NQLGWKSRCBAFRJ-RNFRBKRXSA-N -1 1 293.277 1.768 20 0 CDADMM C[C@@H]1C[C@@H](C)N1C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590190727 1173283223 /nfs/dbraw/zinc/28/32/23/1173283223.db2.gz NQLGWKSRCBAFRJ-RNFRBKRXSA-N -1 1 293.277 1.768 20 0 CDADMM C[C@H]1C[C@H](C)N1C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590190725 1173284852 /nfs/dbraw/zinc/28/48/52/1173284852.db2.gz NQLGWKSRCBAFRJ-BQBZGAKWSA-N -1 1 293.277 1.768 20 0 CDADMM C[C@H]1C[C@H](C)N1C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590190725 1173284857 /nfs/dbraw/zinc/28/48/57/1173284857.db2.gz NQLGWKSRCBAFRJ-BQBZGAKWSA-N -1 1 293.277 1.768 20 0 CDADMM C[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCS1 ZINC001590208629 1173291929 /nfs/dbraw/zinc/29/19/29/1173291929.db2.gz GMRNTFAHBWCLQL-YUMQZZPRSA-N -1 1 277.357 1.353 20 0 CDADMM C[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCS1 ZINC001590208629 1173291934 /nfs/dbraw/zinc/29/19/34/1173291934.db2.gz GMRNTFAHBWCLQL-YUMQZZPRSA-N -1 1 277.357 1.353 20 0 CDADMM C[C@H]1CC(Nc2cc(-c3nnn[n-]3)ncn2)C[C@H](C)O1 ZINC001590208968 1173295246 /nfs/dbraw/zinc/29/52/46/1173295246.db2.gz YRLVDASXZZURQL-YUMQZZPRSA-N -1 1 275.316 1.025 20 0 CDADMM C[C@H]1CC(Nc2cc(-c3nn[n-]n3)ncn2)C[C@H](C)O1 ZINC001590208968 1173295251 /nfs/dbraw/zinc/29/52/51/1173295251.db2.gz YRLVDASXZZURQL-YUMQZZPRSA-N -1 1 275.316 1.025 20 0 CDADMM C[C@@H]1C[C@@H]1c1noc(-c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001590219135 1173298416 /nfs/dbraw/zinc/29/84/16/1173298416.db2.gz KZUQMABNOXJCBY-SVRRBLITSA-N -1 1 269.268 1.435 20 0 CDADMM C[C@@H]1C[C@@H]1c1noc(-c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001590219135 1173298431 /nfs/dbraw/zinc/29/84/31/1173298431.db2.gz KZUQMABNOXJCBY-SVRRBLITSA-N -1 1 269.268 1.435 20 0 CDADMM C[C@@H]1C[C@H]1CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590221420 1173301130 /nfs/dbraw/zinc/30/11/30/1173301130.db2.gz SSZSJPMGXAERQY-SFYZADRCSA-N -1 1 273.300 1.039 20 0 CDADMM C[C@@H]1C[C@H]1CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590221420 1173301136 /nfs/dbraw/zinc/30/11/36/1173301136.db2.gz SSZSJPMGXAERQY-SFYZADRCSA-N -1 1 273.300 1.039 20 0 CDADMM C[C@@H]1C[C@H]1COC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590223141 1173303346 /nfs/dbraw/zinc/30/33/46/1173303346.db2.gz ZNOVLPRGECUXMR-SCZZXKLOSA-N -1 1 273.296 1.003 20 0 CDADMM C[C@@H]1C[C@H]1COC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590223141 1173303354 /nfs/dbraw/zinc/30/33/54/1173303354.db2.gz ZNOVLPRGECUXMR-SCZZXKLOSA-N -1 1 273.296 1.003 20 0 CDADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCC[C@@H](C)C1 ZINC001590249129 1173321767 /nfs/dbraw/zinc/32/17/67/1173321767.db2.gz BPEBWAAFOCVNMZ-OUAUKWLOSA-N -1 1 287.371 1.705 20 0 CDADMM C[C@@H]1CCN(c2ncncc2-c2nn[n-]n2)CC12CCC2 ZINC001590276560 1173335786 /nfs/dbraw/zinc/33/57/86/1173335786.db2.gz LWTHUQGRTPGIAE-SNVBAGLBSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccsc2-c2nnn[n-]2)[C@@H](C)CO1 ZINC001590300654 1173344790 /nfs/dbraw/zinc/34/47/90/1173344790.db2.gz XMHQZILVCSONHL-JGVFFNPUSA-N -1 1 293.352 1.178 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccsc2-c2nn[n-]n2)[C@@H](C)CO1 ZINC001590300654 1173344798 /nfs/dbraw/zinc/34/47/98/1173344798.db2.gz XMHQZILVCSONHL-JGVFFNPUSA-N -1 1 293.352 1.178 20 0 CDADMM C[C@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)CCC1=O ZINC001590316903 1173352168 /nfs/dbraw/zinc/35/21/68/1173352168.db2.gz RYPHXMDZEZCBRW-YFKPBYRVSA-N -1 1 298.759 1.392 20 0 CDADMM C/C=C/C[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001590356332 1173374959 /nfs/dbraw/zinc/37/49/59/1173374959.db2.gz YQBRCRCPERNOLL-KXMPLOMGSA-N -1 1 285.355 1.839 20 0 CDADMM C/C=C/C[C@@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001590356332 1173374963 /nfs/dbraw/zinc/37/49/63/1173374963.db2.gz YQBRCRCPERNOLL-KXMPLOMGSA-N -1 1 285.355 1.839 20 0 CDADMM CC[C@@H]1CCCC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590513148 1173442014 /nfs/dbraw/zinc/44/20/14/1173442014.db2.gz UFUAQPUSKVMODQ-ZJUUUORDSA-N -1 1 273.344 1.459 20 0 CDADMM CC[C@H]1CCCCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001590513669 1173442067 /nfs/dbraw/zinc/44/20/67/1173442067.db2.gz VVPBYCFEZCPXFB-VIFPVBQESA-N -1 1 259.317 1.426 20 0 CDADMM CC[C@H]1CCCCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001590513669 1173442072 /nfs/dbraw/zinc/44/20/72/1173442072.db2.gz VVPBYCFEZCPXFB-VIFPVBQESA-N -1 1 259.317 1.426 20 0 CDADMM CCN(C(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccncc1 ZINC001590675110 1173486088 /nfs/dbraw/zinc/48/60/88/1173486088.db2.gz MTRWLWFNBRMVIV-UHFFFAOYSA-N -1 1 295.306 1.323 20 0 CDADMM CCN(C(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccncc1 ZINC001590675110 1173486092 /nfs/dbraw/zinc/48/60/92/1173486092.db2.gz MTRWLWFNBRMVIV-UHFFFAOYSA-N -1 1 295.306 1.323 20 0 CDADMM CCc1cnc(CNc2cc(C)cc(-c3nnn[n-]3)n2)o1 ZINC001590900242 1173537150 /nfs/dbraw/zinc/53/71/50/1173537150.db2.gz ASAZBUFMJREDCU-UHFFFAOYSA-N -1 1 285.311 1.733 20 0 CDADMM CCc1cnc(CNc2cc(C)cc(-c3nn[n-]n3)n2)o1 ZINC001590900242 1173537155 /nfs/dbraw/zinc/53/71/55/1173537155.db2.gz ASAZBUFMJREDCU-UHFFFAOYSA-N -1 1 285.311 1.733 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](C)[C@@H](F)C2)n1 ZINC001590905972 1173539269 /nfs/dbraw/zinc/53/92/69/1173539269.db2.gz UEMZOEIPGBUZAI-BDAKNGLRSA-N -1 1 291.334 1.403 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](C)[C@@H](F)C2)n1 ZINC001590905972 1173539275 /nfs/dbraw/zinc/53/92/75/1173539275.db2.gz UEMZOEIPGBUZAI-BDAKNGLRSA-N -1 1 291.334 1.403 20 0 CDADMM CCc1nc(N[C@@H](C)[C@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001590915252 1173540485 /nfs/dbraw/zinc/54/04/85/1173540485.db2.gz RPRPXXMEYKXQCU-IUCAKERBSA-N -1 1 289.343 1.056 20 0 CDADMM CCc1nc(N[C@@H](C)[C@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001590915252 1173540487 /nfs/dbraw/zinc/54/04/87/1173540487.db2.gz RPRPXXMEYKXQCU-IUCAKERBSA-N -1 1 289.343 1.056 20 0 CDADMM CCc1nc(N[C@@H](C)C(F)F)cc(-c2nnn[n-]2)n1 ZINC001590915018 1173540632 /nfs/dbraw/zinc/54/06/32/1173540632.db2.gz MBRVFHQQNHUVAR-YFKPBYRVSA-N -1 1 269.259 1.285 20 0 CDADMM CCc1nc(N[C@@H](C)C(F)F)cc(-c2nn[n-]n2)n1 ZINC001590915018 1173540635 /nfs/dbraw/zinc/54/06/35/1173540635.db2.gz MBRVFHQQNHUVAR-YFKPBYRVSA-N -1 1 269.259 1.285 20 0 CDADMM CCn1ccnc1[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590961872 1173549493 /nfs/dbraw/zinc/54/94/93/1173549493.db2.gz DRCHQSZUKUBHMC-SECBINFHSA-N -1 1 299.342 1.355 20 0 CDADMM CCn1ccnc1[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590961872 1173549498 /nfs/dbraw/zinc/54/94/98/1173549498.db2.gz DRCHQSZUKUBHMC-SECBINFHSA-N -1 1 299.342 1.355 20 0 CDADMM CCn1cc(COc2cccc(F)c2-c2nnn[n-]2)nn1 ZINC001590953615 1173550556 /nfs/dbraw/zinc/55/05/56/1173550556.db2.gz HLHDREXSRIRKDU-UHFFFAOYSA-N -1 1 289.274 1.196 20 0 CDADMM CCn1cc(COc2cccc(F)c2-c2nn[n-]n2)nn1 ZINC001590953615 1173550562 /nfs/dbraw/zinc/55/05/62/1173550562.db2.gz HLHDREXSRIRKDU-UHFFFAOYSA-N -1 1 289.274 1.196 20 0 CDADMM CN(OCC(F)(F)F)c1ccnc(-c2nnn[n-]2)c1 ZINC001591154768 1173585413 /nfs/dbraw/zinc/58/54/13/1173585413.db2.gz JMYANWKEAYPXLR-UHFFFAOYSA-N -1 1 274.206 1.192 20 0 CDADMM CN(OCC(F)(F)F)c1ccnc(-c2nn[n-]n2)c1 ZINC001591154768 1173585420 /nfs/dbraw/zinc/58/54/20/1173585420.db2.gz JMYANWKEAYPXLR-UHFFFAOYSA-N -1 1 274.206 1.192 20 0 CDADMM COC(=O)c1ccc(NCC2(C)CC2)c(-c2nnn[n-]2)n1 ZINC001591295415 1173598529 /nfs/dbraw/zinc/59/85/29/1173598529.db2.gz FDTMVNYEOPSSSF-UHFFFAOYSA-N -1 1 288.311 1.260 20 0 CDADMM COC(=O)c1ccc(NCC2(C)CC2)c(-c2nn[n-]n2)n1 ZINC001591295415 1173598531 /nfs/dbraw/zinc/59/85/31/1173598531.db2.gz FDTMVNYEOPSSSF-UHFFFAOYSA-N -1 1 288.311 1.260 20 0 CDADMM CC(C)CN(CCC(=O)[O-])Cc1nc(C(F)F)no1 ZINC001591332489 1173614610 /nfs/dbraw/zinc/61/46/10/1173614610.db2.gz ACEKHZGTOUZKEI-UHFFFAOYSA-N -1 1 277.271 1.940 20 0 CDADMM CO[C@]1(C)CCCN(c2ccc(C)nc2-c2nnn[n-]2)C1 ZINC001591339955 1173617867 /nfs/dbraw/zinc/61/78/67/1173617867.db2.gz YJGUUMYBGNZCIX-CQSZACIVSA-N -1 1 288.355 1.575 20 0 CDADMM CO[C@]1(C)CCCN(c2ccc(C)nc2-c2nn[n-]n2)C1 ZINC001591339955 1173617870 /nfs/dbraw/zinc/61/78/70/1173617870.db2.gz YJGUUMYBGNZCIX-CQSZACIVSA-N -1 1 288.355 1.575 20 0 CDADMM CO[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)C12CCC2 ZINC001591350662 1173621813 /nfs/dbraw/zinc/62/18/13/1173621813.db2.gz XPWWNXVUIKBNSP-NXEZZACHSA-N -1 1 287.327 1.026 20 0 CDADMM CO[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)C12CCC2 ZINC001591350662 1173621816 /nfs/dbraw/zinc/62/18/16/1173621816.db2.gz XPWWNXVUIKBNSP-NXEZZACHSA-N -1 1 287.327 1.026 20 0 CDADMM CO[C@@H]1CC[C@@H](C)N(c2cc(C)nc(-c3nnn[n-]3)c2)C1 ZINC001591348529 1173623362 /nfs/dbraw/zinc/62/33/62/1173623362.db2.gz VDQNPGQOQDJEJW-ZYHUDNBSSA-N -1 1 288.355 1.574 20 0 CDADMM CO[C@@H]1CC[C@@H](C)N(c2cc(C)nc(-c3nn[n-]n3)c2)C1 ZINC001591348529 1173623366 /nfs/dbraw/zinc/62/33/66/1173623366.db2.gz VDQNPGQOQDJEJW-ZYHUDNBSSA-N -1 1 288.355 1.574 20 0 CDADMM CO[C@@H]1CC[C@H]1N(C)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591352751 1173624222 /nfs/dbraw/zinc/62/42/22/1173624222.db2.gz AFJONRNPBICAIZ-RKDXNWHRSA-N -1 1 293.352 1.178 20 0 CDADMM COc1cc(CNc2ccnc(-c3nnn[n-]3)c2)ccc1O ZINC001591537593 1173666832 /nfs/dbraw/zinc/66/68/32/1173666832.db2.gz SVLNJWPLLHXTLK-UHFFFAOYSA-N -1 1 298.306 1.010 20 0 CDADMM COc1cc(CNc2ccnc(-c3nn[n-]n3)c2)ccc1O ZINC001591537593 1173666837 /nfs/dbraw/zinc/66/68/37/1173666837.db2.gz SVLNJWPLLHXTLK-UHFFFAOYSA-N -1 1 298.306 1.010 20 0 CDADMM COc1cc(Oc2cncc(-c3nnn[n-]3)n2)ccc1F ZINC001591554749 1173668800 /nfs/dbraw/zinc/66/88/00/1173668800.db2.gz IQIWONPLGKTRKY-UHFFFAOYSA-N -1 1 288.242 1.597 20 0 CDADMM COc1cc(Oc2cncc(-c3nn[n-]n3)n2)ccc1F ZINC001591554749 1173668803 /nfs/dbraw/zinc/66/88/03/1173668803.db2.gz IQIWONPLGKTRKY-UHFFFAOYSA-N -1 1 288.242 1.597 20 0 CDADMM CS[C@H](C)C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001591687509 1173678447 /nfs/dbraw/zinc/67/84/47/1173678447.db2.gz APRZWSYTBBFHGD-RXMQYKEDSA-N -1 1 293.356 1.157 20 0 CDADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001591770323 1173697185 /nfs/dbraw/zinc/69/71/85/1173697185.db2.gz SHSMXXHFQJZUHY-QMMMGPOBSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001591770323 1173697187 /nfs/dbraw/zinc/69/71/87/1173697187.db2.gz SHSMXXHFQJZUHY-QMMMGPOBSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@H](C(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccccc1 ZINC001591760002 1173697635 /nfs/dbraw/zinc/69/76/35/1173697635.db2.gz WGDJUASFPRSUOW-QMMMGPOBSA-N -1 1 283.295 1.089 20 0 CDADMM C[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001591778783 1173701056 /nfs/dbraw/zinc/70/10/56/1173701056.db2.gz LBSYFEWVMAYLQM-QMMMGPOBSA-N -1 1 261.285 1.332 20 0 CDADMM C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001591778783 1173701060 /nfs/dbraw/zinc/70/10/60/1173701060.db2.gz LBSYFEWVMAYLQM-QMMMGPOBSA-N -1 1 261.285 1.332 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C2CCCC2)n1 ZINC001591882666 1173736200 /nfs/dbraw/zinc/73/62/00/1173736200.db2.gz PVWOEKZQFPWGMJ-UHFFFAOYSA-N -1 1 259.317 1.344 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C2CCCC2)n1 ZINC001591882666 1173736206 /nfs/dbraw/zinc/73/62/06/1173736206.db2.gz PVWOEKZQFPWGMJ-UHFFFAOYSA-N -1 1 259.317 1.344 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CC23CCCC3)n1 ZINC001591892819 1173741452 /nfs/dbraw/zinc/74/14/52/1173741452.db2.gz PSCWSUQWKPZJQI-SNVBAGLBSA-N -1 1 271.328 1.710 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CC23CCCC3)n1 ZINC001591892819 1173741458 /nfs/dbraw/zinc/74/14/58/1173741458.db2.gz PSCWSUQWKPZJQI-SNVBAGLBSA-N -1 1 271.328 1.710 20 0 CDADMM Cc1cc(NCCC(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001592046148 1173787724 /nfs/dbraw/zinc/78/77/24/1173787724.db2.gz POHKCXGDPHJFJQ-UHFFFAOYSA-N -1 1 272.234 1.934 20 0 CDADMM Cc1cc(NCCC(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001592046148 1173787730 /nfs/dbraw/zinc/78/77/30/1173787730.db2.gz POHKCXGDPHJFJQ-UHFFFAOYSA-N -1 1 272.234 1.934 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H]1CCO[C@H](C)C1 ZINC001592114045 1173805391 /nfs/dbraw/zinc/80/53/91/1173805391.db2.gz MVFFLENJZGTJIR-GHMZBOCLSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCCCCF ZINC001592114031 1173806339 /nfs/dbraw/zinc/80/63/39/1173806339.db2.gz MJPUBGRNQVYNFG-UHFFFAOYSA-N -1 1 250.281 1.732 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H]1CCC[C@H](O)C1 ZINC001592114682 1173806679 /nfs/dbraw/zinc/80/66/79/1173806679.db2.gz SYCQWCWXUQWWQM-QWRGUYRKSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(N2C[C@@H]3CCCC[C@@H]32)nc1-c1nnn[n-]1 ZINC001592177099 1173823773 /nfs/dbraw/zinc/82/37/73/1173823773.db2.gz KVBOIJUTLCKWNO-QWRGUYRKSA-N -1 1 270.340 1.949 20 0 CDADMM Cc1ccc(N2C[C@@H]3CCCC[C@@H]32)nc1-c1nn[n-]n1 ZINC001592177099 1173823775 /nfs/dbraw/zinc/82/37/75/1173823775.db2.gz KVBOIJUTLCKWNO-QWRGUYRKSA-N -1 1 270.340 1.949 20 0 CDADMM Cc1ccc(N[C@H]2C[C@@H](O)C23CCC3)nc1-c1nnn[n-]1 ZINC001592183985 1173829544 /nfs/dbraw/zinc/82/95/44/1173829544.db2.gz NSAAOYZADQFSGG-VHSXEESVSA-N -1 1 286.339 1.286 20 0 CDADMM Cc1ccc(N[C@H]2C[C@@H](O)C23CCC3)nc1-c1nn[n-]n1 ZINC001592183985 1173829547 /nfs/dbraw/zinc/82/95/47/1173829547.db2.gz NSAAOYZADQFSGG-VHSXEESVSA-N -1 1 286.339 1.286 20 0 CDADMM Cc1ccc(Oc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001592188895 1173830179 /nfs/dbraw/zinc/83/01/79/1173830179.db2.gz JVIXHAIRZHBWCQ-UHFFFAOYSA-N -1 1 255.241 1.152 20 0 CDADMM Cc1ccc(NCc2cccnc2)nc1-c1nn[n-]n1 ZINC001592185021 1173831161 /nfs/dbraw/zinc/83/11/61/1173831161.db2.gz PXMSWPYOEHPTGL-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1cccc(F)c1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001592232824 1173835405 /nfs/dbraw/zinc/83/54/05/1173835405.db2.gz NHAKKGIBXHHZPF-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1cccc(F)c1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001592232824 1173835412 /nfs/dbraw/zinc/83/54/12/1173835412.db2.gz NHAKKGIBXHHZPF-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1ccccc1[C@@H]1C[C@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001592260741 1173838390 /nfs/dbraw/zinc/83/83/90/1173838390.db2.gz KWWROXGCRMCTSB-NWDGAFQWSA-N -1 1 293.334 1.933 20 0 CDADMM Cc1ccccc1[C@@H]1C[C@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001592260741 1173838394 /nfs/dbraw/zinc/83/83/94/1173838394.db2.gz KWWROXGCRMCTSB-NWDGAFQWSA-N -1 1 293.334 1.933 20 0 CDADMM Cc1ccoc1CNc1n[nH]c(C)c1-c1nnn[n-]1 ZINC001592284381 1173845498 /nfs/dbraw/zinc/84/54/98/1173845498.db2.gz ZYXAIRVVIJZJLC-UHFFFAOYSA-N -1 1 259.273 1.412 20 0 CDADMM Cc1ccoc1CNc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001592284381 1173845507 /nfs/dbraw/zinc/84/55/07/1173845507.db2.gz ZYXAIRVVIJZJLC-UHFFFAOYSA-N -1 1 259.273 1.412 20 0 CDADMM Cc1[nH]nc(NC(=O)C[C@H](C)CC(C)C)c1-c1nn[n-]n1 ZINC001592327522 1173853589 /nfs/dbraw/zinc/85/35/89/1173853589.db2.gz DVYWPFOAEFQPNK-MRVPVSSYSA-N -1 1 291.359 1.909 20 0 CDADMM Cc1[nH]nc(NC(=O)Nc2cccc(-c3nnn[n-]3)n2)c1C ZINC001592329575 1173857855 /nfs/dbraw/zinc/85/78/55/1173857855.db2.gz AIOVUUZICDBJOO-UHFFFAOYSA-N -1 1 299.298 1.246 20 0 CDADMM Cc1[nH]nc(NC(=O)Nc2cccc(-c3nn[n-]n3)n2)c1C ZINC001592329575 1173857858 /nfs/dbraw/zinc/85/78/58/1173857858.db2.gz AIOVUUZICDBJOO-UHFFFAOYSA-N -1 1 299.298 1.246 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(Cc2cc(Cl)ccn2)c1C ZINC001592339317 1173858853 /nfs/dbraw/zinc/85/88/53/1173858853.db2.gz HCVCTLIZGJHUHJ-UHFFFAOYSA-N -1 1 289.730 1.777 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2cc(Cl)ccn2)c1C ZINC001592339317 1173858857 /nfs/dbraw/zinc/85/88/57/1173858857.db2.gz HCVCTLIZGJHUHJ-UHFFFAOYSA-N -1 1 289.730 1.777 20 0 CDADMM Cc1nc(N[C@@H]2CCC[C@H](F)C2)cc(-c2nnn[n-]2)n1 ZINC001592382246 1173873607 /nfs/dbraw/zinc/87/36/07/1173873607.db2.gz KRWNUCBZNPRNAO-DTWKUNHWSA-N -1 1 277.307 1.658 20 0 CDADMM Cc1nc(N[C@@H]2CCC[C@H](F)C2)cc(-c2nn[n-]n2)n1 ZINC001592382246 1173873611 /nfs/dbraw/zinc/87/36/11/1173873611.db2.gz KRWNUCBZNPRNAO-DTWKUNHWSA-N -1 1 277.307 1.658 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC001592496610 1173904499 /nfs/dbraw/zinc/90/44/99/1173904499.db2.gz HSYKHLZBXDXCSR-AOOOYVTPSA-N -1 1 287.323 1.496 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC001592496610 1173904502 /nfs/dbraw/zinc/90/45/02/1173904502.db2.gz HSYKHLZBXDXCSR-AOOOYVTPSA-N -1 1 287.323 1.496 20 0 CDADMM ClC1(Cl)C[C@H]1CNc1cccnc1-c1nnn[n-]1 ZINC001592523626 1173910794 /nfs/dbraw/zinc/91/07/94/1173910794.db2.gz GKRDLUYXSKWAHQ-LURJTMIESA-N -1 1 285.138 1.867 20 0 CDADMM ClC1(Cl)C[C@H]1CNc1cccnc1-c1nn[n-]n1 ZINC001592523626 1173910801 /nfs/dbraw/zinc/91/08/01/1173910801.db2.gz GKRDLUYXSKWAHQ-LURJTMIESA-N -1 1 285.138 1.867 20 0 CDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(Cl)o2)n1 ZINC001592561096 1173919653 /nfs/dbraw/zinc/91/96/53/1173919653.db2.gz TYACAGLDXQHPKP-UHFFFAOYSA-N -1 1 293.674 1.099 20 0 CDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(Cl)o2)n1 ZINC001592561096 1173919661 /nfs/dbraw/zinc/91/96/61/1173919661.db2.gz TYACAGLDXQHPKP-UHFFFAOYSA-N -1 1 293.674 1.099 20 0 CDADMM FC(F)[C@H]1CCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001592625275 1173933337 /nfs/dbraw/zinc/93/33/37/1173933337.db2.gz QVFBNEOESNPSIU-ZCFIWIBFSA-N -1 1 286.673 1.759 20 0 CDADMM FC(F)[C@H]1CCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001592625275 1173933344 /nfs/dbraw/zinc/93/33/44/1173933344.db2.gz QVFBNEOESNPSIU-ZCFIWIBFSA-N -1 1 286.673 1.759 20 0 CDADMM FC(F)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001592624138 1173934111 /nfs/dbraw/zinc/93/41/11/1173934111.db2.gz IEKFLQOHASTAQS-UHFFFAOYSA-N -1 1 281.270 1.138 20 0 CDADMM FC1(F)CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001592629193 1173938587 /nfs/dbraw/zinc/93/85/87/1173938587.db2.gz DNBAXTIUQBVUQA-UHFFFAOYSA-N -1 1 293.281 1.282 20 0 CDADMM FC1(F)CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001592629193 1173938597 /nfs/dbraw/zinc/93/85/97/1173938597.db2.gz DNBAXTIUQBVUQA-UHFFFAOYSA-N -1 1 293.281 1.282 20 0 CDADMM Fc1ccccc1CCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001592659217 1173957673 /nfs/dbraw/zinc/95/76/73/1173957673.db2.gz XMZRRYFJRNXLEX-UHFFFAOYSA-N -1 1 299.313 1.841 20 0 CDADMM Fc1ccccc1CCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001592659217 1173957684 /nfs/dbraw/zinc/95/76/84/1173957684.db2.gz XMZRRYFJRNXLEX-UHFFFAOYSA-N -1 1 299.313 1.841 20 0 CDADMM Nc1nnc(SCc2nc(-c3nnn[n-]3)cs2)s1 ZINC001592763640 1173988324 /nfs/dbraw/zinc/98/83/24/1173988324.db2.gz FEIPCMHTPJLXBE-UHFFFAOYSA-N -1 1 298.382 1.049 20 0 CDADMM Nc1nnc(SCc2nc(-c3nn[n-]n3)cs2)s1 ZINC001592763640 1173988330 /nfs/dbraw/zinc/98/83/30/1173988330.db2.gz FEIPCMHTPJLXBE-UHFFFAOYSA-N -1 1 298.382 1.049 20 0 CDADMM O=C(C1CCCC1)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001592781920 1173989554 /nfs/dbraw/zinc/98/95/54/1173989554.db2.gz GCOQUKSGPZDEJT-UHFFFAOYSA-N -1 1 298.350 1.731 20 0 CDADMM O=C(C1CCCC1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001592781920 1173989559 /nfs/dbraw/zinc/98/95/59/1173989559.db2.gz GCOQUKSGPZDEJT-UHFFFAOYSA-N -1 1 298.350 1.731 20 0 CDADMM O=C(CC1=CCCCC1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592809116 1173992168 /nfs/dbraw/zinc/99/21/68/1173992168.db2.gz LUVPKZSGWUSGRG-UHFFFAOYSA-N -1 1 298.350 1.768 20 0 CDADMM O=C(CC1=CCCCC1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592809116 1173992171 /nfs/dbraw/zinc/99/21/71/1173992171.db2.gz LUVPKZSGWUSGRG-UHFFFAOYSA-N -1 1 298.350 1.768 20 0 CDADMM O=C(C[C@@H]1CCCC1(F)F)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592818852 1173996202 /nfs/dbraw/zinc/99/62/02/1173996202.db2.gz XDJDKSVYFQZJPO-LURJTMIESA-N -1 1 297.269 1.354 20 0 CDADMM O=C(C[C@@H]1CCCC1(F)F)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592818852 1173996206 /nfs/dbraw/zinc/99/62/06/1173996206.db2.gz XDJDKSVYFQZJPO-LURJTMIESA-N -1 1 297.269 1.354 20 0 CDADMM O=C(COC(F)F)OCc1ccc(-c2nn[n-]n2)s1 ZINC001592886118 1173999786 /nfs/dbraw/zinc/99/97/86/1173999786.db2.gz VMVMSOIXIKZLHM-UHFFFAOYSA-N -1 1 290.251 1.211 20 0 CDADMM O=C(NC12CCC(CC1)C2)c1csc(-c2nn[n-]n2)c1 ZINC001592962494 1174005514 /nfs/dbraw/zinc/00/55/14/1174005514.db2.gz MKQLKNYPEVGVHR-UHFFFAOYSA-N -1 1 289.364 1.991 20 0 CDADMM O=C(N[C@@H]1CCCC2(CC2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001592978431 1174010116 /nfs/dbraw/zinc/01/01/16/1174010116.db2.gz PDZLXRQVHHKSLZ-LLVKDONJSA-N -1 1 298.350 1.714 20 0 CDADMM O=C(N[C@@H]1CCCC2(CC2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001592978431 1174010121 /nfs/dbraw/zinc/01/01/21/1174010121.db2.gz PDZLXRQVHHKSLZ-LLVKDONJSA-N -1 1 298.350 1.714 20 0 CDADMM O=C(NCC[C@@H]1CCCS1)c1coc(-c2nnn[n-]2)c1 ZINC001593064745 1174021544 /nfs/dbraw/zinc/02/15/44/1174021544.db2.gz BTVBBHZVTVPLTI-VIFPVBQESA-N -1 1 293.352 1.475 20 0 CDADMM O=C(NCC[C@@H]1CCCS1)c1coc(-c2nn[n-]n2)c1 ZINC001593064745 1174021549 /nfs/dbraw/zinc/02/15/49/1174021549.db2.gz BTVBBHZVTVPLTI-VIFPVBQESA-N -1 1 293.352 1.475 20 0 CDADMM O=C(NOC1CCCCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001593167618 1174029984 /nfs/dbraw/zinc/02/99/84/1174029984.db2.gz WITKKOHUSBBGJV-UHFFFAOYSA-N -1 1 277.284 1.454 20 0 CDADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1ccccn1 ZINC001593196223 1174032246 /nfs/dbraw/zinc/03/22/46/1174032246.db2.gz LVQSORYXULJVMI-UHFFFAOYSA-N -1 1 296.294 1.115 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1CCC=CCCC1 ZINC001593259941 1174043401 /nfs/dbraw/zinc/04/34/01/1174043401.db2.gz DXKFYQXEHCKVST-SECBINFHSA-N -1 1 287.327 1.665 20 0 CDADMM O=C(Nc1cnsn1)c1ccsc1-c1nnn[n-]1 ZINC001593263016 1174043644 /nfs/dbraw/zinc/04/36/44/1174043644.db2.gz YTLZSARTMQZOPF-UHFFFAOYSA-N -1 1 279.310 1.032 20 0 CDADMM O=C(Nc1cnsn1)c1ccsc1-c1nn[n-]n1 ZINC001593263016 1174043648 /nfs/dbraw/zinc/04/36/48/1174043648.db2.gz YTLZSARTMQZOPF-UHFFFAOYSA-N -1 1 279.310 1.032 20 0 CDADMM O=C(O[C@@H]1CCC12CCC2)c1cccc(-c2nnn[n-]2)n1 ZINC001593281243 1174048605 /nfs/dbraw/zinc/04/86/05/1174048605.db2.gz GQBZOCNRTVPJMF-LLVKDONJSA-N -1 1 285.307 1.751 20 0 CDADMM O=C(O[C@@H]1CCC12CCC2)c1cccc(-c2nn[n-]n2)n1 ZINC001593281243 1174048609 /nfs/dbraw/zinc/04/86/09/1174048609.db2.gz GQBZOCNRTVPJMF-LLVKDONJSA-N -1 1 285.307 1.751 20 0 CDADMM O=C(OCc1cnsc1)c1sccc1-c1nn[n-]n1 ZINC001593304958 1174059773 /nfs/dbraw/zinc/05/97/73/1174059773.db2.gz CTKPMTLCPIXWPG-UHFFFAOYSA-N -1 1 293.333 1.742 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC(Cc2ccoc2)C1 ZINC001593341751 1174069421 /nfs/dbraw/zinc/06/94/21/1174069421.db2.gz XRJGEGNULUPYGU-UHFFFAOYSA-N -1 1 299.290 1.367 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC(Cc2ccoc2)C1 ZINC001593341751 1174069428 /nfs/dbraw/zinc/06/94/28/1174069428.db2.gz XRJGEGNULUPYGU-UHFFFAOYSA-N -1 1 299.290 1.367 20 0 CDADMM c1cc([C@H]2CCCCN2c2cccc(-c3nnn[n-]3)n2)n[nH]1 ZINC001593550223 1174122203 /nfs/dbraw/zinc/12/22/03/1174122203.db2.gz OWCJGTUNQTWPDT-GFCCVEGCSA-N -1 1 296.338 1.716 20 0 CDADMM c1cc([C@H]2CCCCN2c2cccc(-c3nn[n-]n3)n2)n[nH]1 ZINC001593550223 1174122208 /nfs/dbraw/zinc/12/22/08/1174122208.db2.gz OWCJGTUNQTWPDT-GFCCVEGCSA-N -1 1 296.338 1.716 20 0 CDADMM c1ccc(CC2CN(c3cc(-c4nnn[n-]4)ncn3)C2)cc1 ZINC001593572287 1174142020 /nfs/dbraw/zinc/14/20/20/1174142020.db2.gz XIKNDWJUMKBNEA-UHFFFAOYSA-N -1 1 293.334 1.336 20 0 CDADMM c1ccc(CC2CN(c3cc(-c4nn[n-]n4)ncn3)C2)cc1 ZINC001593572287 1174142022 /nfs/dbraw/zinc/14/20/22/1174142022.db2.gz XIKNDWJUMKBNEA-UHFFFAOYSA-N -1 1 293.334 1.336 20 0 CDADMM c1ncc(COc2cccnc2-c2nnn[n-]2)s1 ZINC001593584838 1174152635 /nfs/dbraw/zinc/15/26/35/1174152635.db2.gz OXURLJBMTZOMSJ-UHFFFAOYSA-N -1 1 260.282 1.297 20 0 CDADMM c1ncc(COc2cccnc2-c2nn[n-]n2)s1 ZINC001593584838 1174152643 /nfs/dbraw/zinc/15/26/43/1174152643.db2.gz OXURLJBMTZOMSJ-UHFFFAOYSA-N -1 1 260.282 1.297 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NC[C@]12C[C@H]1CCC2 ZINC001593590426 1174157498 /nfs/dbraw/zinc/15/74/98/1174157498.db2.gz RPMZLYBDEWMOBI-PELKAZGASA-N -1 1 257.301 1.259 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NC[C@]12C[C@H]1CCC2 ZINC001593590426 1174157502 /nfs/dbraw/zinc/15/75/02/1174157502.db2.gz RPMZLYBDEWMOBI-PELKAZGASA-N -1 1 257.301 1.259 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1N[C@@H]1C[C@H]1C1CCC1 ZINC001593590129 1174157938 /nfs/dbraw/zinc/15/79/38/1174157938.db2.gz HJQIAXOHXHLANM-DTWKUNHWSA-N -1 1 257.301 1.257 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1N[C@@H]1C[C@H]1C1CCC1 ZINC001593590129 1174157941 /nfs/dbraw/zinc/15/79/41/1174157941.db2.gz HJQIAXOHXHLANM-DTWKUNHWSA-N -1 1 257.301 1.257 20 0 CDADMM Cc1ccc(NC(=O)CN2CC[C@@H](C)C2)cc1C(=O)[O-] ZINC001600447543 1174478840 /nfs/dbraw/zinc/47/88/40/1174478840.db2.gz LKCLMHQLBTZAPE-SNVBAGLBSA-N -1 1 276.336 1.974 20 0 CDADMM Cc1ccccc1[C@H]1C(=O)NCCN1CC1(C(=O)[O-])CC1 ZINC001600576398 1174512913 /nfs/dbraw/zinc/51/29/13/1174512913.db2.gz FLSUYORODWDACW-ZDUSSCGKSA-N -1 1 288.347 1.333 20 0 CDADMM Cc1coc(CC(=O)[O-])c1C(=O)N[C@H]1CN2CCC1CC2 ZINC001600642109 1174549103 /nfs/dbraw/zinc/54/91/03/1174549103.db2.gz JRWLPVHNAQKNHU-NSHDSACASA-N -1 1 292.335 1.039 20 0 CDADMM Cc1nn(C)cc1CN(CCC(F)(F)F)CC(=O)[O-] ZINC001600779242 1174607687 /nfs/dbraw/zinc/60/76/87/1174607687.db2.gz YPSVORZLDDPYGJ-UHFFFAOYSA-N -1 1 279.262 1.568 20 0 CDADMM Cc1nc([C@H](C)NCc2ccc(C(=O)[O-])cc2F)n[nH]1 ZINC001600791812 1174611848 /nfs/dbraw/zinc/61/18/48/1174611848.db2.gz HBTAKZABSUYGFJ-ZETCQYMHSA-N -1 1 278.287 1.801 20 0 CDADMM NCc1cc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)co1 ZINC001601190773 1174784908 /nfs/dbraw/zinc/78/49/08/1174784908.db2.gz PCQYOCVRTAHJOI-CYBMUJFWSA-N -1 1 294.351 1.749 20 0 CDADMM O=C([O-])[C@H](c1ccsc1)N1CCN(CC2CC2)CC1 ZINC001601696175 1174948550 /nfs/dbraw/zinc/94/85/50/1174948550.db2.gz CQLNQIULUZZBMY-ZDUSSCGKSA-N -1 1 280.393 1.901 20 0 CDADMM O=C([O-])[C@H](c1cccnc1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC001601699313 1174953979 /nfs/dbraw/zinc/95/39/79/1174953979.db2.gz YTDVQAVDJFQUSH-AEJSXWLSSA-N -1 1 254.236 1.404 20 0 CDADMM O=C([O-])C1(c2csc([C@@H]3CN4CCC[C@@H]4CO3)n2)CC1 ZINC001601729075 1174971481 /nfs/dbraw/zinc/97/14/81/1174971481.db2.gz SJZBVSCGAHSZEC-ZJUUUORDSA-N -1 1 294.376 1.795 20 0 CDADMM O=C([O-])[C@@H]1CN(CC2OCCO2)Cc2ccccc21 ZINC001601851158 1175036103 /nfs/dbraw/zinc/03/61/03/1175036103.db2.gz OPGDNQIBGHWBOQ-GFCCVEGCSA-N -1 1 263.293 1.043 20 0 CDADMM O=C([O-])Cc1cccc(C(=O)N2CC[C@H](N3CCC3)C2)c1 ZINC001602132866 1175138129 /nfs/dbraw/zinc/13/81/29/1175138129.db2.gz NLQGWWTUHDKEEF-AWEZNQCLSA-N -1 1 288.347 1.234 20 0 CDADMM O=C([O-])[C@]12CCC[C@H]1C[N@@H+](Cc1nccn1CC(F)F)C2 ZINC001602221986 1175173757 /nfs/dbraw/zinc/17/37/57/1175173757.db2.gz ZLHRYNNSSQARKR-HZMBPMFUSA-N -1 1 299.321 1.835 20 0 CDADMM O=C([O-])[C@]12CCC[C@H]1CN(Cc1nccn1CC(F)F)C2 ZINC001602221986 1175173759 /nfs/dbraw/zinc/17/37/59/1175173759.db2.gz ZLHRYNNSSQARKR-HZMBPMFUSA-N -1 1 299.321 1.835 20 0 CDADMM O=C([O-])c1cc(CNC[C@H](O)C2CCCCC2)on1 ZINC001602259376 1175187177 /nfs/dbraw/zinc/18/71/77/1175187177.db2.gz UBOQVZJAOLAHKO-LBPRGKRZSA-N -1 1 268.313 1.404 20 0 CDADMM O=C([O-])c1ccc(Nc2cnn(-c3ccncc3)c2)nn1 ZINC001602385310 1175229641 /nfs/dbraw/zinc/22/96/41/1175229641.db2.gz FAIDKNRMPXHQEF-UHFFFAOYSA-N -1 1 282.263 1.499 20 0 CDADMM O=C([O-])c1ccnc(NCCC2CCS(=O)(=O)CC2)c1 ZINC001602484032 1175257239 /nfs/dbraw/zinc/25/72/39/1175257239.db2.gz LTQICVZIDOKVMA-UHFFFAOYSA-N -1 1 298.364 1.407 20 0 CDADMM O=C([O-])c1cn(CN2CC[C@@H](C3CCCC3)C2)nn1 ZINC001602505095 1175262907 /nfs/dbraw/zinc/26/29/07/1175262907.db2.gz ICEHYUDUCWBAEV-LLVKDONJSA-N -1 1 264.329 1.446 20 0 CDADMM O=C([O-])c1cnc(CN2CC[C@@H](c3ccccn3)C2)cn1 ZINC001602520135 1175268934 /nfs/dbraw/zinc/26/89/34/1175268934.db2.gz ZRLVFFMIDFDYIS-LLVKDONJSA-N -1 1 284.319 1.559 20 0 CDADMM C1=CC[C@@H]2CN(c3ncncc3-c3nn[n-]n3)C[C@@H]2C1 ZINC001602748921 1175384806 /nfs/dbraw/zinc/38/48/06/1175384806.db2.gz IZGZRQCUMMNPLE-AOOOYVTPSA-N -1 1 269.312 1.059 20 0 CDADMM C/C(=C\C(=O)[O-])CN1CCC([C@H](O)C(F)(F)F)CC1 ZINC001602958744 1175459548 /nfs/dbraw/zinc/45/95/48/1175459548.db2.gz XOQKDCXKUIYDNQ-IOCXFXADSA-N -1 1 281.274 1.653 20 0 CDADMM CC(=O)NCCN(C)[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001603047959 1175482858 /nfs/dbraw/zinc/48/28/58/1175482858.db2.gz XHJPVFVEXARGQV-SECBINFHSA-N -1 1 268.313 1.415 20 0 CDADMM CC(C)(C)COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603077733 1175487831 /nfs/dbraw/zinc/48/78/31/1175487831.db2.gz YLNIJJHWZUPIFM-UHFFFAOYSA-N -1 1 250.258 1.663 20 0 CDADMM CC(C)(/C=C\Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001603135508 1175498864 /nfs/dbraw/zinc/49/88/64/1175498864.db2.gz PTSOUZOEISGQOI-ARJAWSKDSA-N -1 1 265.708 1.600 20 0 CDADMM CC(C)(/C=C\Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001603135508 1175498868 /nfs/dbraw/zinc/49/88/68/1175498868.db2.gz PTSOUZOEISGQOI-ARJAWSKDSA-N -1 1 265.708 1.600 20 0 CDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@@H](C)C2CCC2)CC1 ZINC001603145049 1175499945 /nfs/dbraw/zinc/49/99/45/1175499945.db2.gz AJBOGTQNYWMKLD-RYUDHWBXSA-N -1 1 282.384 1.430 20 0 CDADMM CC(C)[C@@H](CCO)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603215853 1175516615 /nfs/dbraw/zinc/51/66/15/1175516615.db2.gz NCCNKQJPNYLMGM-SECBINFHSA-N -1 1 295.368 1.065 20 0 CDADMM CC(C)[C@H](O)C(C)(C)CNc1ccnc(-c2nnn[n-]2)c1 ZINC001603231048 1175519995 /nfs/dbraw/zinc/51/99/95/1175519995.db2.gz JMSWGRPYJZVRJK-LBPRGKRZSA-N -1 1 290.371 1.139 20 0 CDADMM CC(C)[C@H](O)C(C)(C)CNc1ccnc(-c2nn[n-]n2)c1 ZINC001603231048 1175520006 /nfs/dbraw/zinc/52/00/06/1175520006.db2.gz JMSWGRPYJZVRJK-LBPRGKRZSA-N -1 1 290.371 1.139 20 0 CDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001603238656 1175521781 /nfs/dbraw/zinc/52/17/81/1175521781.db2.gz RQBCYSBYAJEDRS-JMCQJSRRSA-N -1 1 275.316 1.211 20 0 CDADMM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001603238708 1175523053 /nfs/dbraw/zinc/52/30/53/1175523053.db2.gz SYUZHZZNUNOFKQ-ZANVPECISA-N -1 1 289.343 1.221 20 0 CDADMM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001603238708 1175523056 /nfs/dbraw/zinc/52/30/56/1175523056.db2.gz SYUZHZZNUNOFKQ-ZANVPECISA-N -1 1 289.343 1.221 20 0 CDADMM CC(C)n1nccc1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603435559 1175552679 /nfs/dbraw/zinc/55/26/79/1175552679.db2.gz ALNDQEONXAJRKX-UHFFFAOYSA-N -1 1 298.310 1.291 20 0 CDADMM CC(C)n1nccc1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603435559 1175552685 /nfs/dbraw/zinc/55/26/85/1175552685.db2.gz ALNDQEONXAJRKX-UHFFFAOYSA-N -1 1 298.310 1.291 20 0 CDADMM CC(C)(C)c1nnc(COC(=O)c2ccc(C(=O)[O-])o2)[nH]1 ZINC001603562294 1175566171 /nfs/dbraw/zinc/56/61/71/1175566171.db2.gz ONHVBBWGHINFRM-UHFFFAOYSA-N -1 1 293.279 1.750 20 0 CDADMM CC(C)(C)c1nc(COC(=O)c2ccc(C(=O)[O-])o2)n[nH]1 ZINC001603562294 1175566177 /nfs/dbraw/zinc/56/61/77/1175566177.db2.gz ONHVBBWGHINFRM-UHFFFAOYSA-N -1 1 293.279 1.750 20 0 CDADMM C[C@@H](Cc1ccco1)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001603585020 1175572833 /nfs/dbraw/zinc/57/28/33/1175572833.db2.gz LSZFCYRGRXYCCQ-VIFPVBQESA-N -1 1 298.306 1.216 20 0 CDADMM C[C@@H](Cc1ccco1)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001603585020 1175572839 /nfs/dbraw/zinc/57/28/39/1175572839.db2.gz LSZFCYRGRXYCCQ-VIFPVBQESA-N -1 1 298.306 1.216 20 0 CDADMM C[C@H](F)CCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603598020 1175574038 /nfs/dbraw/zinc/57/40/38/1175574038.db2.gz FHVFYTGFHAXWPV-LURJTMIESA-N -1 1 269.305 1.406 20 0 CDADMM CC(NC(=O)c1ccc(-c2nnn[n-]2)nc1)(C1CC1)C1CC1 ZINC001603639924 1175585013 /nfs/dbraw/zinc/58/50/13/1175585013.db2.gz BONZUXSGTJVQIO-UHFFFAOYSA-N -1 1 298.350 1.570 20 0 CDADMM CC(NC(=O)c1ccc(-c2nn[n-]n2)nc1)(C1CC1)C1CC1 ZINC001603639924 1175585017 /nfs/dbraw/zinc/58/50/17/1175585017.db2.gz BONZUXSGTJVQIO-UHFFFAOYSA-N -1 1 298.350 1.570 20 0 CDADMM C[C@@H](Sc1cccnc1-c1nnn[n-]1)C(=O)NC1CC1 ZINC001603720906 1175608494 /nfs/dbraw/zinc/60/84/94/1175608494.db2.gz WZWQGTAVELFGJG-SSDOTTSWSA-N -1 1 290.352 1.021 20 0 CDADMM C[C@@H](Sc1cccnc1-c1nn[n-]n1)C(=O)NC1CC1 ZINC001603720906 1175608498 /nfs/dbraw/zinc/60/84/98/1175608498.db2.gz WZWQGTAVELFGJG-SSDOTTSWSA-N -1 1 290.352 1.021 20 0 CDADMM C[C@H](c1ccco1)N(C)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603739596 1175612745 /nfs/dbraw/zinc/61/27/45/1175612745.db2.gz ULAZIZKKBYFZMN-SECBINFHSA-N -1 1 298.306 1.688 20 0 CDADMM C[C@H](c1ccco1)N(C)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603739596 1175612750 /nfs/dbraw/zinc/61/27/50/1175612750.db2.gz ULAZIZKKBYFZMN-SECBINFHSA-N -1 1 298.306 1.688 20 0 CDADMM CC1(C)CC[C@@H](CO)N(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001603772847 1175627627 /nfs/dbraw/zinc/62/76/27/1175627627.db2.gz UALHETPPKUXYLC-NSHDSACASA-N -1 1 288.355 1.249 20 0 CDADMM CC1(C)CC[C@@H](CO)N(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001603772847 1175627632 /nfs/dbraw/zinc/62/76/32/1175627632.db2.gz UALHETPPKUXYLC-NSHDSACASA-N -1 1 288.355 1.249 20 0 CDADMM CC1(C2(NC(=O)c3ccc(-c4nnn[n-]4)o3)CC2)CC1 ZINC001603794900 1175633926 /nfs/dbraw/zinc/63/39/26/1175633926.db2.gz BKBBMFYDQVJOQM-UHFFFAOYSA-N -1 1 273.296 1.522 20 0 CDADMM CC1(C2(NC(=O)c3ccc(-c4nn[n-]n4)o3)CC2)CC1 ZINC001603794900 1175633930 /nfs/dbraw/zinc/63/39/30/1175633930.db2.gz BKBBMFYDQVJOQM-UHFFFAOYSA-N -1 1 273.296 1.522 20 0 CDADMM C[C@@]1(CNc2cncc(-c3nnn[n-]3)n2)CCCC[C@H]1O ZINC001603806400 1175637515 /nfs/dbraw/zinc/63/75/15/1175637515.db2.gz BCSOUXFXNWVJLB-MFKMUULPSA-N -1 1 289.343 1.010 20 0 CDADMM C[C@@]1(CNc2cncc(-c3nn[n-]n3)n2)CCCC[C@H]1O ZINC001603806400 1175637518 /nfs/dbraw/zinc/63/75/18/1175637518.db2.gz BCSOUXFXNWVJLB-MFKMUULPSA-N -1 1 289.343 1.010 20 0 CDADMM C[C@@]1(CNC(=O)c2ccsc2-c2nnn[n-]2)CCOC1 ZINC001603805074 1175637717 /nfs/dbraw/zinc/63/77/17/1175637717.db2.gz PDSSSTGQOSTKSO-LBPRGKRZSA-N -1 1 293.352 1.085 20 0 CDADMM C[C@@]1(CNC(=O)c2ccsc2-c2nn[n-]n2)CCOC1 ZINC001603805074 1175637720 /nfs/dbraw/zinc/63/77/20/1175637720.db2.gz PDSSSTGQOSTKSO-LBPRGKRZSA-N -1 1 293.352 1.085 20 0 CDADMM CC1=C[C@@H](C)CN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001603829121 1175646643 /nfs/dbraw/zinc/64/66/43/1175646643.db2.gz XSGMWZDQGHQFNH-SECBINFHSA-N -1 1 299.338 1.692 20 0 CDADMM CC1=C[C@@H](C)CN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001603829121 1175646648 /nfs/dbraw/zinc/64/66/48/1175646648.db2.gz XSGMWZDQGHQFNH-SECBINFHSA-N -1 1 299.338 1.692 20 0 CDADMM CC1=C[C@H](C)CN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001603829235 1175646739 /nfs/dbraw/zinc/64/67/39/1175646739.db2.gz YWZAWUCWSSEMOM-QMMMGPOBSA-N -1 1 257.301 1.059 20 0 CDADMM CC1=C[C@H](C)CN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001603829235 1175646743 /nfs/dbraw/zinc/64/67/43/1175646743.db2.gz YWZAWUCWSSEMOM-QMMMGPOBSA-N -1 1 257.301 1.059 20 0 CDADMM C[C@@H]1C[C@@H](C)[C@H](C(=O)OCc2ccc(-c3nnn[n-]3)o2)O1 ZINC001603844319 1175650909 /nfs/dbraw/zinc/65/09/09/1175650909.db2.gz AMIGXCMFENSMQJ-SOCHQFKDSA-N -1 1 292.295 1.316 20 0 CDADMM C[C@@H]1C[C@@H](C)[C@H](C(=O)OCc2ccc(-c3nn[n-]n3)o2)O1 ZINC001603844319 1175650913 /nfs/dbraw/zinc/65/09/13/1175650913.db2.gz AMIGXCMFENSMQJ-SOCHQFKDSA-N -1 1 292.295 1.316 20 0 CDADMM C[C@H]1CC(C)(C)CN1c1cc(-c2nnn[n-]2)ncn1 ZINC001603845596 1175651393 /nfs/dbraw/zinc/65/13/93/1175651393.db2.gz LXIGPYUGCLDXSY-QMMMGPOBSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@H]1CC(C)(C)CN1c1cc(-c2nn[n-]n2)ncn1 ZINC001603845596 1175651395 /nfs/dbraw/zinc/65/13/95/1175651395.db2.gz 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FBFPXAZTUHMKMO-INIZCTEOSA-N -1 1 294.395 1.574 20 0 CDADMM C1=C(CCNc2cc(-c3nn[n-]n3)ncn2)CCC1 ZINC001588384445 1173057961 /nfs/dbraw/zinc/05/79/61/1173057961.db2.gz OFSJUTOHAPXSNV-UHFFFAOYSA-N -1 1 257.301 1.569 20 0 CDADMM O=C(N[C@H]1CCCC(F)(F)[C@@H]1O)c1ccc([O-])c(F)c1 ZINC000665667711 414344233 /nfs/dbraw/zinc/34/42/33/414344233.db2.gz MGXNCHIRGDWCPP-GXSJLCMTSA-N -1 1 289.253 1.810 20 0 CDADMM Cc1ccccc1[C@@H](C)N(C)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662201661 414558895 /nfs/dbraw/zinc/55/88/95/414558895.db2.gz KBEHYNKTJLKJFM-OCCSQVGLSA-N -1 1 290.363 1.673 20 0 CDADMM O=C([O-])CCCC[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000662233413 414577223 /nfs/dbraw/zinc/57/72/23/414577223.db2.gz DHHKVIIYZURXIU-CQSZACIVSA-N -1 1 277.320 1.925 20 0 CDADMM CCNC(=O)[C@@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000039516688 174169728 /nfs/dbraw/zinc/16/97/28/174169728.db2.gz RRZJJYQGIRBBKA-SNVBAGLBSA-N -1 1 286.331 1.800 20 0 CDADMM O=C([O-])[C@]1(NC(=O)c2n[nH]c3ccccc32)CCSC1 ZINC000043503611 175059328 /nfs/dbraw/zinc/05/93/28/175059328.db2.gz FKHRRMTWWYHIAP-ZDUSSCGKSA-N -1 1 291.332 1.253 20 0 CDADMM O=C(NCc1nn[n-]n1)c1csc(-c2cccs2)n1 ZINC000044929146 175278636 /nfs/dbraw/zinc/27/86/36/175278636.db2.gz RVGRWOSJNAIDQI-UHFFFAOYSA-N -1 1 292.349 1.315 20 0 CDADMM COc1ccc(OC)c(CN2CC(C(=O)[O-])C2)c1 ZINC000071173681 176053710 /nfs/dbraw/zinc/05/37/10/176053710.db2.gz XUMWGXYZPIPQEW-UHFFFAOYSA-N -1 1 251.282 1.220 20 0 CDADMM O=C(C=Cc1c(F)cccc1F)Nc1nnn[n-]1 ZINC000072288574 176360939 /nfs/dbraw/zinc/36/09/39/176360939.db2.gz REKOZMSETJTJRT-SNAWJCMRSA-N -1 1 251.196 1.130 20 0 CDADMM O=C(C=Cc1c(F)cccc1F)Nc1nn[n-]n1 ZINC000072288574 176360941 /nfs/dbraw/zinc/36/09/41/176360941.db2.gz REKOZMSETJTJRT-SNAWJCMRSA-N -1 1 251.196 1.130 20 0 CDADMM CC(C)Oc1ccc(Cl)cc1C(=O)Nc1nnn[n-]1 ZINC000072290224 176361570 /nfs/dbraw/zinc/36/15/70/176361570.db2.gz NORKYEHPONFZFG-UHFFFAOYSA-N -1 1 281.703 1.893 20 0 CDADMM CC(C)Oc1ccc(Cl)cc1C(=O)Nc1nn[n-]n1 ZINC000072290224 176361572 /nfs/dbraw/zinc/36/15/72/176361572.db2.gz NORKYEHPONFZFG-UHFFFAOYSA-N -1 1 281.703 1.893 20 0 CDADMM O=C(CSc1ccc(F)c(F)c1)Nc1nnn[n-]1 ZINC000076963481 177135948 /nfs/dbraw/zinc/13/59/48/177135948.db2.gz GIKKHBRLGNGODK-UHFFFAOYSA-N -1 1 271.252 1.209 20 0 CDADMM O=C(CSc1ccc(F)c(F)c1)Nc1nn[n-]n1 ZINC000076963481 177135949 /nfs/dbraw/zinc/13/59/49/177135949.db2.gz GIKKHBRLGNGODK-UHFFFAOYSA-N -1 1 271.252 1.209 20 0 CDADMM CC(C)(O)C1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001589327272 1173137604 /nfs/dbraw/zinc/13/76/04/1173137604.db2.gz JHQNAWDTGHHVLA-UHFFFAOYSA-N -1 1 294.746 1.122 20 0 CDADMM CC(C)(O)C1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001589327272 1173137607 /nfs/dbraw/zinc/13/76/07/1173137607.db2.gz JHQNAWDTGHHVLA-UHFFFAOYSA-N -1 1 294.746 1.122 20 0 CDADMM O=C(c1cc(F)ccc1[O-])N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000367728057 304498293 /nfs/dbraw/zinc/49/82/93/304498293.db2.gz KRYXONCYGBGRSJ-OCCSQVGLSA-N -1 1 295.310 1.551 20 0 CDADMM CC(C)CC[C@H](C)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589588434 1173159268 /nfs/dbraw/zinc/15/92/68/1173159268.db2.gz TXYSVKXAILXOSB-JTQLQIEISA-N -1 1 288.355 1.816 20 0 CDADMM CC(C)CC[C@H](C)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589588434 1173159285 /nfs/dbraw/zinc/15/92/85/1173159285.db2.gz TXYSVKXAILXOSB-JTQLQIEISA-N -1 1 288.355 1.816 20 0 CDADMM C[S@](=O)C1(CN=c2nc(C(C)(C)C)[n-]s2)CCC1 ZINC000393709569 270338167 /nfs/dbraw/zinc/33/81/67/270338167.db2.gz PTUXSUTWLRGXCM-SFHVURJKSA-N -1 1 287.454 1.971 20 0 CDADMM CC[C@@H](O)[C@@H](CC)NC(=O)c1ccc([O-])cc1F ZINC000313110328 260249091 /nfs/dbraw/zinc/24/90/91/260249091.db2.gz KKSWRDLKXRZPIE-VXGBXAGGSA-N -1 1 255.289 1.811 20 0 CDADMM CC[C@@H](O)[C@H](CC)NC(=O)c1cc(F)ccc1[O-] ZINC000313127774 260251479 /nfs/dbraw/zinc/25/14/79/260251479.db2.gz XMJFBYSPTYRQSS-WDEREUQCSA-N -1 1 255.289 1.811 20 0 CDADMM C[C@@H](CCO)CCNc1cccnc1-c1nnn[n-]1 ZINC001589833421 1173187501 /nfs/dbraw/zinc/18/75/01/1173187501.db2.gz CYFUWRLKIVSCNJ-SECBINFHSA-N -1 1 262.317 1.082 20 0 CDADMM C[C@@H](CCO)CCNc1cccnc1-c1nn[n-]n1 ZINC001589833421 1173187506 /nfs/dbraw/zinc/18/75/06/1173187506.db2.gz CYFUWRLKIVSCNJ-SECBINFHSA-N -1 1 262.317 1.082 20 0 CDADMM C[C@H](CNc1cc(-c2nnn[n-]2)ncn1)CC(F)(F)F ZINC001589875289 1173193579 /nfs/dbraw/zinc/19/35/79/1173193579.db2.gz DCFSGZMFNMHLMM-LURJTMIESA-N -1 1 287.249 1.657 20 0 CDADMM C[C@H](CNc1cc(-c2nn[n-]n2)ncn1)CC(F)(F)F ZINC001589875289 1173193582 /nfs/dbraw/zinc/19/35/82/1173193582.db2.gz DCFSGZMFNMHLMM-LURJTMIESA-N -1 1 287.249 1.657 20 0 CDADMM CCc1cc(=O)[n-]c(S[C@@H](C)c2nc(C)cc(=O)[nH]2)n1 ZINC000188082060 424018261 /nfs/dbraw/zinc/01/82/61/424018261.db2.gz YYQWSVVLWHTPFI-QMMMGPOBSA-N -1 1 292.364 1.990 20 0 CDADMM NC(=O)c1cc(NC(=O)c2ccccc2[O-])ccc1F ZINC000121668392 424228745 /nfs/dbraw/zinc/22/87/45/424228745.db2.gz LNAZIEYCXIITRS-UHFFFAOYSA-N -1 1 274.251 1.883 20 0 CDADMM O=C(c1ccc(Br)c([O-])c1)N1CCCCN1 ZINC000400652987 424397631 /nfs/dbraw/zinc/39/76/31/424397631.db2.gz NAZOYHBXYYHOPU-UHFFFAOYSA-N -1 1 285.141 1.895 20 0 CDADMM Cc1ccc(F)c(CN2CCC(O)(C(=O)[O-])CC2)c1 ZINC000652483615 424486382 /nfs/dbraw/zinc/48/63/82/424486382.db2.gz QGWVLCANANTPEK-UHFFFAOYSA-N -1 1 267.300 1.546 20 0 CDADMM CCc1ccccc1CN1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000652509476 424506201 /nfs/dbraw/zinc/50/62/01/424506201.db2.gz BIRVZZYSJHHBIO-BXUZGUMPSA-N -1 1 263.337 1.923 20 0 CDADMM CC(C)c1noc(CN(CCC(=O)[O-])CC2CC2)n1 ZINC000652468174 424463476 /nfs/dbraw/zinc/46/34/76/424463476.db2.gz ZXDJDIWXHSENGJ-UHFFFAOYSA-N -1 1 267.329 1.880 20 0 CDADMM COc1cccc(CCCN2CCOC[C@@H]2CC(=O)[O-])c1 ZINC000652476039 424473177 /nfs/dbraw/zinc/47/31/77/424473177.db2.gz OYDOBSADQDTLMW-AWEZNQCLSA-N -1 1 293.363 1.803 20 0 CDADMM CC1(C)CN(c2cccc(-c3nnn[n-]3)n2)[C@@H]1C1CC1 ZINC001590107872 1173260868 /nfs/dbraw/zinc/26/08/68/1173260868.db2.gz JCZGJKBJNXOKQP-GFCCVEGCSA-N -1 1 270.340 1.887 20 0 CDADMM CC1(C)CN(c2cccc(-c3nn[n-]n3)n2)[C@@H]1C1CC1 ZINC001590107872 1173260872 /nfs/dbraw/zinc/26/08/72/1173260872.db2.gz JCZGJKBJNXOKQP-GFCCVEGCSA-N -1 1 270.340 1.887 20 0 CDADMM CCOC[C@H]1CN(C(=O)c2ccc([O-])cc2F)CCO1 ZINC000529895805 271064544 /nfs/dbraw/zinc/06/45/44/271064544.db2.gz AGWZFTCNBBBJJM-LLVKDONJSA-N -1 1 283.299 1.409 20 0 CDADMM O=C([O-])c1ccc(F)c2c1CN([C@H]1CCOC1)CC2 ZINC000530167376 271122449 /nfs/dbraw/zinc/12/24/49/271122449.db2.gz ALNGWUFHVOFQOV-VIFPVBQESA-N -1 1 265.284 1.671 20 0 CDADMM C[C@H]1CCC(F)(F)CN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590228976 1173307368 /nfs/dbraw/zinc/30/73/68/1173307368.db2.gz GISFDJUXMHZMPU-ZETCQYMHSA-N -1 1 297.265 1.720 20 0 CDADMM C[C@H]1CCC(F)(F)CN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590228976 1173307375 /nfs/dbraw/zinc/30/73/75/1173307375.db2.gz GISFDJUXMHZMPU-ZETCQYMHSA-N -1 1 297.265 1.720 20 0 CDADMM CC[C@](C)(OC)C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001590385141 1173387442 /nfs/dbraw/zinc/38/74/42/1173387442.db2.gz OTNNWVAPOQYXCF-ZDUSSCGKSA-N -1 1 291.311 1.120 20 0 CDADMM CC[C@](C)(OC)C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001590385141 1173387446 /nfs/dbraw/zinc/38/74/46/1173387446.db2.gz OTNNWVAPOQYXCF-ZDUSSCGKSA-N -1 1 291.311 1.120 20 0 CDADMM CC[C@H](C)COC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590410837 1173397206 /nfs/dbraw/zinc/39/72/06/1173397206.db2.gz SCBSAMSVKAHBEF-ZETCQYMHSA-N -1 1 250.258 1.663 20 0 CDADMM CC[C@H](C)COC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590410837 1173397212 /nfs/dbraw/zinc/39/72/12/1173397212.db2.gz SCBSAMSVKAHBEF-ZETCQYMHSA-N -1 1 250.258 1.663 20 0 CDADMM CC[C@@H](C)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590414098 1173398839 /nfs/dbraw/zinc/39/88/39/1173398839.db2.gz JYBJKNIWDSMICY-ZCFIWIBFSA-N -1 1 251.315 1.457 20 0 CDADMM CC[C@@H](C)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590414098 1173398842 /nfs/dbraw/zinc/39/88/42/1173398842.db2.gz JYBJKNIWDSMICY-ZCFIWIBFSA-N -1 1 251.315 1.457 20 0 CDADMM CC[C@H](C)N(C)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590411316 1173400638 /nfs/dbraw/zinc/40/06/38/1173400638.db2.gz ZXYYECVBJBHFOF-QMMMGPOBSA-N -1 1 275.316 1.524 20 0 CDADMM CC[C@H](C)N(C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590411316 1173400644 /nfs/dbraw/zinc/40/06/44/1173400644.db2.gz ZXYYECVBJBHFOF-QMMMGPOBSA-N -1 1 275.316 1.524 20 0 CDADMM CCS[C@@H]1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000092618920 279290621 /nfs/dbraw/zinc/29/06/21/279290621.db2.gz RLKQMYBTBNONKI-DTWKUNHWSA-N -1 1 256.375 1.204 20 0 CDADMM C[C@H](CCS(C)(=O)=O)NC(=O)c1c([O-])cccc1F ZINC000129807989 279616974 /nfs/dbraw/zinc/61/69/74/279616974.db2.gz UWBQFNDMEFRUQX-MRVPVSSYSA-N -1 1 289.328 1.084 20 0 CDADMM COC[C@H](O)CC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000130460904 279640986 /nfs/dbraw/zinc/64/09/86/279640986.db2.gz XAZQRSAXXMATMW-LLVKDONJSA-N -1 1 299.348 1.109 20 0 CDADMM O=C(NC[C@H](O)C1CCC1)c1ccc([O-])cc1F ZINC000316053928 280628555 /nfs/dbraw/zinc/62/85/55/280628555.db2.gz NXCFEIPNUAZZHK-LBPRGKRZSA-N -1 1 253.273 1.422 20 0 CDADMM CC[C@]1(C)COCCN1C(=O)c1cncc([O-])c1 ZINC000408004424 281330148 /nfs/dbraw/zinc/33/01/48/281330148.db2.gz LRGYQTBVVFJKGV-CYBMUJFWSA-N -1 1 250.298 1.428 20 0 CDADMM O=C(C[C@@H]1CCC(=O)NC1)Nc1cccc(F)c1[O-] ZINC000530004270 281412724 /nfs/dbraw/zinc/41/27/24/281412724.db2.gz JCDCCHIPOUYCFM-QMMMGPOBSA-N -1 1 266.272 1.386 20 0 CDADMM O=C(c1cc2ccccn2c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155569652 289243540 /nfs/dbraw/zinc/24/35/40/289243540.db2.gz YATRINAEPSRDET-NSHDSACASA-N -1 1 296.334 1.472 20 0 CDADMM Cc1cccc(S(=O)(=O)N=c2cc3ccccn3[n-]2)c1 ZINC000552036999 290044798 /nfs/dbraw/zinc/04/47/98/290044798.db2.gz GDBOUNNWACXHEQ-UHFFFAOYSA-N -1 1 287.344 1.865 20 0 CDADMM C[C@@H]1CSC[C@@H]1NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000553410619 290117986 /nfs/dbraw/zinc/11/79/86/290117986.db2.gz JSOIGPWDZJPPBY-APPZFPTMSA-N -1 1 283.422 1.621 20 0 CDADMM C[C@H](c1ccccc1)N(C)C(=O)CN(C)CCC(=O)[O-] ZINC000037932634 290251344 /nfs/dbraw/zinc/25/13/44/290251344.db2.gz GQSIEVHQUFQLNL-GFCCVEGCSA-N -1 1 278.352 1.613 20 0 CDADMM CCCN(Cc1ncccc1[O-])[C@H](COC)C(=O)OCC ZINC000561395551 293082700 /nfs/dbraw/zinc/08/27/00/293082700.db2.gz QKLZSTIHWUKZKO-CYBMUJFWSA-N -1 1 296.367 1.577 20 0 CDADMM CCC[C@@H](CC)NC(=O)c1coc(-c2nnn[n-]2)c1 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CCCN(C(C)C)S(=O)(=O)c1c(C)o[n-]c1=N ZINC000565221952 293567622 /nfs/dbraw/zinc/56/76/22/293567622.db2.gz PGLFIPQMSHMQIC-UHFFFAOYSA-N -1 1 261.347 1.205 20 0 CDADMM CCCC[C@@H](NCc1ccc(-c2nnn[n-]2)o1)C(=O)OC ZINC001590581736 1173468385 /nfs/dbraw/zinc/46/83/85/1173468385.db2.gz HNXWEUPBJXFWPQ-SNVBAGLBSA-N -1 1 293.327 1.281 20 0 CDADMM CCCC[C@@H](NCc1ccc(-c2nn[n-]n2)o1)C(=O)OC ZINC001590581736 1173468389 /nfs/dbraw/zinc/46/83/89/1173468389.db2.gz HNXWEUPBJXFWPQ-SNVBAGLBSA-N -1 1 293.327 1.281 20 0 CDADMM CC(C)OCc1nc([C@@H](C)NCc2ncccc2[O-])no1 ZINC000568939712 294125558 /nfs/dbraw/zinc/12/55/58/294125558.db2.gz ZYIXPKALLSDECK-SNVBAGLBSA-N -1 1 292.339 1.946 20 0 CDADMM CCCCCCOCC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590596224 1173470855 /nfs/dbraw/zinc/47/08/55/1173470855.db2.gz UFXJWLMXVRAJIF-UHFFFAOYSA-N -1 1 293.331 1.125 20 0 CDADMM CCCCCCOCC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590596224 1173470864 /nfs/dbraw/zinc/47/08/64/1173470864.db2.gz UFXJWLMXVRAJIF-UHFFFAOYSA-N -1 1 293.331 1.125 20 0 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CCN(CCC(=O)[O-])CN1C(=O)C[C@@H]1c1ccccc1 ZINC000737097323 575819120 /nfs/dbraw/zinc/81/91/20/575819120.db2.gz PIUKKIZSKINQTP-CYBMUJFWSA-N -1 1 276.336 1.714 20 0 CDADMM COCCCNC(=O)[C@H](C)OC(=O)c1ccc([O-])cc1F ZINC000773567004 575826505 /nfs/dbraw/zinc/82/65/05/575826505.db2.gz RQNZVHNAFUBWNG-VIFPVBQESA-N -1 1 299.298 1.229 20 0 CDADMM Cn1cnnc1COC(=O)c1ccc([O-])cc1F ZINC000773570869 575827335 /nfs/dbraw/zinc/82/73/35/575827335.db2.gz FIIXCJZNMZGFSU-UHFFFAOYSA-N -1 1 251.217 1.017 20 0 CDADMM CCOC(=O)CCCCCN1CCN(C(=O)[O-])CC1 ZINC000737137004 575830706 /nfs/dbraw/zinc/83/07/06/575830706.db2.gz RSLISDJXTDSVEW-UHFFFAOYSA-N -1 1 272.345 1.406 20 0 CDADMM O=C(NCC(F)(F)F)c1ccc2n[n-]c(=S)n2c1 ZINC000773751846 575837254 /nfs/dbraw/zinc/83/72/54/575837254.db2.gz OQEZSFBETYIKBE-UHFFFAOYSA-N -1 1 276.243 1.310 20 0 CDADMM Cc1ccc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)cc1C ZINC000737310062 575938007 /nfs/dbraw/zinc/93/80/07/575938007.db2.gz LYNWPSQNLAVDJA-GFCCVEGCSA-N -1 1 287.323 1.030 20 0 CDADMM 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606135058 /nfs/dbraw/zinc/13/50/58/606135058.db2.gz VEVVBDFHGNSOBT-UHFFFAOYSA-N -1 1 294.336 1.512 20 0 CDADMM CC[C@@H](C)[C@@H](C)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820864146 606155227 /nfs/dbraw/zinc/15/52/27/606155227.db2.gz WYEKWQVXBUJOOC-HTQZYQBOSA-N -1 1 292.347 1.156 20 0 CDADMM CC[C@@H](C)[C@@H](C)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820864146 606155229 /nfs/dbraw/zinc/15/52/29/606155229.db2.gz WYEKWQVXBUJOOC-HTQZYQBOSA-N -1 1 292.347 1.156 20 0 CDADMM CC[C@H](C)CN(CC)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820870044 606300304 /nfs/dbraw/zinc/30/03/04/606300304.db2.gz LPFMLUZZVIUPEA-JTQLQIEISA-N -1 1 288.355 1.770 20 0 CDADMM CC[C@H](C)CN(CC)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820870044 606300306 /nfs/dbraw/zinc/30/03/06/606300306.db2.gz LPFMLUZZVIUPEA-JTQLQIEISA-N -1 1 288.355 1.770 20 0 CDADMM O=C(NC1CCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823150410 606488008 /nfs/dbraw/zinc/48/80/08/606488008.db2.gz OYUPZGJBZLBMBE-UHFFFAOYSA-N -1 1 263.326 1.601 20 0 CDADMM O=C(NC1CCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823150410 606488009 /nfs/dbraw/zinc/48/80/09/606488009.db2.gz OYUPZGJBZLBMBE-UHFFFAOYSA-N -1 1 263.326 1.601 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000823436156 606517788 /nfs/dbraw/zinc/51/77/88/606517788.db2.gz JUFQFDHPBRGGLM-UHFFFAOYSA-N -1 1 299.265 1.758 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000823436156 606517790 /nfs/dbraw/zinc/51/77/90/606517790.db2.gz JUFQFDHPBRGGLM-UHFFFAOYSA-N -1 1 299.265 1.758 20 0 CDADMM C[C@@H](O)C[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820475207 606569448 /nfs/dbraw/zinc/56/94/48/606569448.db2.gz ZGAQGJXLOHYWHO-HTQZYQBOSA-N -1 1 295.368 1.065 20 0 CDADMM C[C@@H](O)C[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820475207 606569450 /nfs/dbraw/zinc/56/94/50/606569450.db2.gz ZGAQGJXLOHYWHO-HTQZYQBOSA-N -1 1 295.368 1.065 20 0 CDADMM C[C@@H](C(=O)n1ncc(-c2nn[n-]n2)c1N)C1CCCC1 ZINC000819883665 606591232 /nfs/dbraw/zinc/59/12/32/606591232.db2.gz KGEDUMKNZOVZLI-SSDOTTSWSA-N -1 1 275.316 1.112 20 0 CDADMM C[C@H](CC(N)=O)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820231108 606633457 /nfs/dbraw/zinc/63/34/57/606633457.db2.gz AOQACFRFECZOLE-MRVPVSSYSA-N -1 1 297.322 1.091 20 0 CDADMM C[C@H](CC(N)=O)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820231108 606633458 /nfs/dbraw/zinc/63/34/58/606633458.db2.gz AOQACFRFECZOLE-MRVPVSSYSA-N -1 1 297.322 1.091 20 0 CDADMM CC(C)CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820051567 606647138 /nfs/dbraw/zinc/64/71/38/606647138.db2.gz QVIDAPBLANQCNN-UHFFFAOYSA-N -1 1 261.285 1.351 20 0 CDADMM CC(C)CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820051567 606647139 /nfs/dbraw/zinc/64/71/39/606647139.db2.gz QVIDAPBLANQCNN-UHFFFAOYSA-N -1 1 261.285 1.351 20 0 CDADMM C/C(=C\C(=O)OCc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC000819763770 606647585 /nfs/dbraw/zinc/64/75/85/606647585.db2.gz CWXYFEOHZMSXLP-RMKNXTFCSA-N -1 1 285.307 1.661 20 0 CDADMM C/C(=C\C(=O)OCc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC000819763770 606647586 /nfs/dbraw/zinc/64/75/86/606647586.db2.gz CWXYFEOHZMSXLP-RMKNXTFCSA-N -1 1 285.307 1.661 20 0 CDADMM CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820979788 606816238 /nfs/dbraw/zinc/81/62/38/606816238.db2.gz JXQXZSZRPPQYMP-ONGXEEELSA-N -1 1 286.339 1.570 20 0 CDADMM CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820979788 606816239 /nfs/dbraw/zinc/81/62/39/606816239.db2.gz JXQXZSZRPPQYMP-ONGXEEELSA-N -1 1 286.339 1.570 20 0 CDADMM CC(=O)CCCCOC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000819782994 606829875 /nfs/dbraw/zinc/82/98/75/606829875.db2.gz SGJKTZOGPLJTBQ-UHFFFAOYSA-N -1 1 289.295 1.178 20 0 CDADMM CC(=O)CCCCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000819782994 606829877 /nfs/dbraw/zinc/82/98/77/606829877.db2.gz SGJKTZOGPLJTBQ-UHFFFAOYSA-N -1 1 289.295 1.178 20 0 CDADMM CC(C)OCCC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820142760 607107821 /nfs/dbraw/zinc/10/78/21/607107821.db2.gz VHCGYNMTZKAJKK-UHFFFAOYSA-N -1 1 282.329 1.077 20 0 CDADMM CC(C)OCCC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820142760 607107823 /nfs/dbraw/zinc/10/78/23/607107823.db2.gz VHCGYNMTZKAJKK-UHFFFAOYSA-N -1 1 282.329 1.077 20 0 CDADMM Fc1cccc(OCc2ccon2)c1-c1nnn[n-]1 ZINC000826377896 607866228 /nfs/dbraw/zinc/86/62/28/607866228.db2.gz LGVFPDOBBLWXCV-UHFFFAOYSA-N -1 1 261.216 1.573 20 0 CDADMM Fc1cccc(OCc2ccon2)c1-c1nn[n-]n1 ZINC000826377896 607866229 /nfs/dbraw/zinc/86/62/29/607866229.db2.gz LGVFPDOBBLWXCV-UHFFFAOYSA-N -1 1 261.216 1.573 20 0 CDADMM CCOC(=O)CCCNc1cccc(-c2nnn[n-]2)n1 ZINC000825511807 607896243 /nfs/dbraw/zinc/89/62/43/607896243.db2.gz GJLSOJVBWXQVMR-UHFFFAOYSA-N -1 1 276.300 1.017 20 0 CDADMM CCOC(=O)CCCNc1cccc(-c2nn[n-]n2)n1 ZINC000825511807 607896244 /nfs/dbraw/zinc/89/62/44/607896244.db2.gz GJLSOJVBWXQVMR-UHFFFAOYSA-N -1 1 276.300 1.017 20 0 CDADMM C[C@@H](CCO)Sc1cccc(-c2nnn[n-]2)n1 ZINC000824407207 607900539 /nfs/dbraw/zinc/90/05/39/607900539.db2.gz VSLMDRCVRKOCNK-ZETCQYMHSA-N -1 1 251.315 1.125 20 0 CDADMM C[C@@H](CCO)Sc1cccc(-c2nn[n-]n2)n1 ZINC000824407207 607900540 /nfs/dbraw/zinc/90/05/40/607900540.db2.gz VSLMDRCVRKOCNK-ZETCQYMHSA-N -1 1 251.315 1.125 20 0 CDADMM Cn1ncc(Nc2nccnc2-c2nnn[n-]2)c1C(F)F ZINC000826366594 607967651 /nfs/dbraw/zinc/96/76/51/607967651.db2.gz PNPPPKNKQDOEKK-UHFFFAOYSA-N -1 1 293.241 1.071 20 0 CDADMM Cn1ncc(Nc2nccnc2-c2nn[n-]n2)c1C(F)F ZINC000826366594 607967652 /nfs/dbraw/zinc/96/76/52/607967652.db2.gz PNPPPKNKQDOEKK-UHFFFAOYSA-N -1 1 293.241 1.071 20 0 CDADMM O=C(NCCc1ccc[nH]1)c1ccc(-c2nnn[n-]2)s1 ZINC000826440035 608277985 /nfs/dbraw/zinc/27/79/85/608277985.db2.gz VTONTMQXBZJNOE-UHFFFAOYSA-N -1 1 288.336 1.229 20 0 CDADMM O=C(NCCc1ccc[nH]1)c1ccc(-c2nn[n-]n2)s1 ZINC000826440035 608277987 /nfs/dbraw/zinc/27/79/87/608277987.db2.gz VTONTMQXBZJNOE-UHFFFAOYSA-N -1 1 288.336 1.229 20 0 CDADMM CCOc1ccc(Oc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000825642905 608388103 /nfs/dbraw/zinc/38/81/03/608388103.db2.gz FCUNZMLSDSEUHM-UHFFFAOYSA-N -1 1 284.279 1.848 20 0 CDADMM CCOc1ccc(Oc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000825642905 608388104 /nfs/dbraw/zinc/38/81/04/608388104.db2.gz FCUNZMLSDSEUHM-UHFFFAOYSA-N -1 1 284.279 1.848 20 0 CDADMM c1cc(Oc2ccc(-c3nnn[n-]3)nn2)cc2c1CCC2 ZINC000826518395 608389619 /nfs/dbraw/zinc/38/96/19/608389619.db2.gz LWWQUNBUWBGGIP-UHFFFAOYSA-N -1 1 280.291 1.938 20 0 CDADMM c1cc(Oc2ccc(-c3nn[n-]n3)nn2)cc2c1CCC2 ZINC000826518395 608389621 /nfs/dbraw/zinc/38/96/21/608389621.db2.gz LWWQUNBUWBGGIP-UHFFFAOYSA-N -1 1 280.291 1.938 20 0 CDADMM Cc1ccccc1OCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826307383 608401918 /nfs/dbraw/zinc/40/19/18/608401918.db2.gz GFFCXKCAMAFALR-UHFFFAOYSA-N -1 1 297.322 1.456 20 0 CDADMM Cc1ccccc1OCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826307383 608401920 /nfs/dbraw/zinc/40/19/20/608401920.db2.gz GFFCXKCAMAFALR-UHFFFAOYSA-N -1 1 297.322 1.456 20 0 CDADMM C[C@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824936295 608404448 /nfs/dbraw/zinc/40/44/48/608404448.db2.gz FQKQSUNCFLZNNJ-VHSXEESVSA-N -1 1 273.344 1.895 20 0 CDADMM C[C@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824936295 608404449 /nfs/dbraw/zinc/40/44/49/608404449.db2.gz FQKQSUNCFLZNNJ-VHSXEESVSA-N -1 1 273.344 1.895 20 0 CDADMM Cc1ccc2c(c1)N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000826293752 608408694 /nfs/dbraw/zinc/40/86/94/608408694.db2.gz AALKFGSUMAFFIU-UHFFFAOYSA-N -1 1 279.307 1.659 20 0 CDADMM Cc1ccc2c(c1)N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000826293752 608408696 /nfs/dbraw/zinc/40/86/96/608408696.db2.gz AALKFGSUMAFFIU-UHFFFAOYSA-N -1 1 279.307 1.659 20 0 CDADMM c1cc(Nc2ccc(-c3nnn[n-]3)nn2)cc2c1COC2 ZINC000826518389 608559333 /nfs/dbraw/zinc/55/93/33/608559333.db2.gz LOVGFUHNWURBEA-UHFFFAOYSA-N -1 1 281.279 1.431 20 0 CDADMM c1cc(Nc2ccc(-c3nn[n-]n3)nn2)cc2c1COC2 ZINC000826518389 608559334 /nfs/dbraw/zinc/55/93/34/608559334.db2.gz LOVGFUHNWURBEA-UHFFFAOYSA-N -1 1 281.279 1.431 20 0 CDADMM C[C@H](Cn1ccnc1-c1nnn[n-]1)c1ccccc1 ZINC000824466013 608889246 /nfs/dbraw/zinc/88/92/46/608889246.db2.gz VCDAFLLYZAXSGH-SNVBAGLBSA-N -1 1 254.297 1.867 20 0 CDADMM C[C@H](Cn1ccnc1-c1nn[n-]n1)c1ccccc1 ZINC000824466013 608889249 /nfs/dbraw/zinc/88/92/49/608889249.db2.gz VCDAFLLYZAXSGH-SNVBAGLBSA-N -1 1 254.297 1.867 20 0 CDADMM CCc1nnc(NCc2ccc(-c3nn[n-]n3)s2)s1 ZINC000825771649 609264083 /nfs/dbraw/zinc/26/40/83/609264083.db2.gz NPNLTMMIIKRGHG-UHFFFAOYSA-N -1 1 293.381 1.954 20 0 CDADMM CN(C[C@@H]1CC=CCC1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825909459 609594599 /nfs/dbraw/zinc/59/45/99/609594599.db2.gz YPZNGRKQTVLGBD-SNVBAGLBSA-N -1 1 271.328 1.449 20 0 CDADMM CN(C[C@@H]1CC=CCC1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825909459 609594600 /nfs/dbraw/zinc/59/46/00/609594600.db2.gz YPZNGRKQTVLGBD-SNVBAGLBSA-N -1 1 271.328 1.449 20 0 CDADMM CC[C@H](C)[C@@H](C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825059673 609641986 /nfs/dbraw/zinc/64/19/86/609641986.db2.gz IPDYIEODIZELJQ-VHSXEESVSA-N -1 1 289.339 1.987 20 0 CDADMM CC[C@H](C)[C@@H](C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825059673 609641985 /nfs/dbraw/zinc/64/19/85/609641985.db2.gz IPDYIEODIZELJQ-VHSXEESVSA-N -1 1 289.339 1.987 20 0 CDADMM C/C=C(\C)C(=O)N1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000949535300 613165217 /nfs/dbraw/zinc/16/52/17/613165217.db2.gz RNXNZHHJPBEEIZ-LFJXOHPOSA-N -1 1 289.335 1.084 20 0 CDADMM Cc1cnc(C(=O)N[C@@H]2COC[C@@H]2C2CC2)c([O-])c1 ZINC000891049086 617356571 /nfs/dbraw/zinc/35/65/71/617356571.db2.gz MLFVLVWOBNTPLP-GHMZBOCLSA-N -1 1 262.309 1.250 20 0 CDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC/C=C\Cl ZINC000891208331 617381184 /nfs/dbraw/zinc/38/11/84/617381184.db2.gz IFXRXHLWHWLYGI-ARJAWSKDSA-N -1 1 294.742 1.463 20 0 CDADMM COCc1nc(NCc2nn(C)c3ccccc23)cc(=O)[n-]1 ZINC000893185651 617447263 /nfs/dbraw/zinc/44/72/63/617447263.db2.gz ZKLSBGZWZGHAFE-UHFFFAOYSA-N -1 1 299.334 1.827 20 0 CDADMM CCC(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000964638220 614404989 /nfs/dbraw/zinc/40/49/89/614404989.db2.gz BGXWUDUZYMDJRF-NSHDSACASA-N -1 1 291.351 1.308 20 0 CDADMM COCc1nc(NCC(C)(C)SC)cc(=O)[n-]1 ZINC000892745820 617693125 /nfs/dbraw/zinc/69/31/25/617693125.db2.gz SGDHVSDVONDBGD-UHFFFAOYSA-N -1 1 257.359 1.882 20 0 CDADMM COCc1nc(N[C@@H](C)Cc2ccncc2)cc(=O)[n-]1 ZINC000892830919 617802249 /nfs/dbraw/zinc/80/22/49/617802249.db2.gz ATWLWCUTHUKZCP-JTQLQIEISA-N -1 1 274.324 1.767 20 0 CDADMM CN(C)[C@H](C(=O)N(C)c1nnn[n-]1)c1cccc(Cl)c1 ZINC000892954877 617977329 /nfs/dbraw/zinc/97/73/29/617977329.db2.gz UIZJNAAPHYBLBV-JTQLQIEISA-N -1 1 294.746 1.119 20 0 CDADMM CN(C)[C@H](C(=O)N(C)c1nn[n-]n1)c1cccc(Cl)c1 ZINC000892954877 617977334 /nfs/dbraw/zinc/97/73/34/617977334.db2.gz UIZJNAAPHYBLBV-JTQLQIEISA-N -1 1 294.746 1.119 20 0 CDADMM COCc1nc(NCC[C@H](O)c2ccccc2)cc(=O)[n-]1 ZINC000892714300 617625593 /nfs/dbraw/zinc/62/55/93/617625593.db2.gz MKBHCVYDDRUOMX-LBPRGKRZSA-N -1 1 289.335 1.864 20 0 CDADMM CCOCCONC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897426611 620744854 /nfs/dbraw/zinc/74/48/54/620744854.db2.gz LEOXENLVJRDSGT-UHFFFAOYSA-N -1 1 291.303 1.949 20 0 CDADMM CC(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000007109931 620753754 /nfs/dbraw/zinc/75/37/54/620753754.db2.gz NGZDBJBMAYVCNU-UHFFFAOYSA-N -1 1 287.218 1.108 20 0 CDADMM COCc1nc(N[C@H]2CCOC[C@H]2C)cc(=O)[n-]1 ZINC000893499812 617998142 /nfs/dbraw/zinc/99/81/42/617998142.db2.gz DVOZCLXCAGJMFK-BDAKNGLRSA-N -1 1 253.302 1.166 20 0 CDADMM C[C@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1)C1CCCCC1 ZINC000909397429 618076880 /nfs/dbraw/zinc/07/68/80/618076880.db2.gz RXBSJPHGZDJLSL-GXTWGEPZSA-N -1 1 296.411 1.868 20 0 CDADMM C[C@@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1)C1CCCCC1 ZINC000909397432 618077492 /nfs/dbraw/zinc/07/74/92/618077492.db2.gz RXBSJPHGZDJLSL-TZMCWYRMSA-N -1 1 296.411 1.868 20 0 CDADMM COCc1nc(N[C@@H]2CCO[C@]3(CCOC3)C2)cc(=O)[n-]1 ZINC000893091306 618155033 /nfs/dbraw/zinc/15/50/33/618155033.db2.gz CSFFPSONZMEWIN-QMTHXVAHSA-N -1 1 295.339 1.079 20 0 CDADMM C[C@@H]1CC[C@@H](NC(=O)CN2CCC[C@H](C(=O)[O-])C2)C1 ZINC000910558969 618300494 /nfs/dbraw/zinc/30/04/94/618300494.db2.gz GQPUEAOGFDFTOA-GRYCIOLGSA-N -1 1 268.357 1.088 20 0 CDADMM COc1ccc([C@H](NCc2cncn2C)C(=O)[O-])cc1F ZINC000901862464 618303459 /nfs/dbraw/zinc/30/34/59/618303459.db2.gz XNSPVVYCFHCMMZ-ZDUSSCGKSA-N -1 1 293.298 1.483 20 0 CDADMM 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Cc1cccc(O[C@@H](C)C(=O)Nc2c[n-][nH]c2=O)c1 ZINC001648814492 1158574240 /nfs/dbraw/zinc/57/42/40/1158574240.db2.gz QGNVNLFTRGRILC-VIFPVBQESA-N -1 1 261.281 1.830 20 0 CDADMM CC/C=C\COC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000255299864 1158787474 /nfs/dbraw/zinc/78/74/74/1158787474.db2.gz AGHVXYYWAJUPER-PLNGDYQASA-N -1 1 273.310 1.311 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2ccnc(N3CCCC3)n2)[n-]1 ZINC001170226314 1162316086 /nfs/dbraw/zinc/31/60/86/1162316086.db2.gz GWTYIKZUKJPZIV-UHFFFAOYSA-N -1 1 298.310 1.192 20 0 CDADMM CNc1ccccc1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170229267 1162318505 /nfs/dbraw/zinc/31/85/05/1162318505.db2.gz PPXBGZQNCRDORD-UHFFFAOYSA-N -1 1 256.269 1.844 20 0 CDADMM COc1nc2[nH]ccc2cc1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170229671 1162318560 /nfs/dbraw/zinc/31/85/60/1162318560.db2.gz WGBUAPCBAIOHKT-UHFFFAOYSA-N -1 1 297.278 1.639 20 0 CDADMM C=CC(=O)Oc1ccc(Nc2[n-]c(=O)nc3nc[nH]c32)cc1 ZINC001170229756 1162318864 /nfs/dbraw/zinc/31/88/64/1162318864.db2.gz ABHNIZQUNGXYCW-UHFFFAOYSA-N -1 1 297.274 1.894 20 0 CDADMM CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cn[n-]n2)cc1 ZINC000805603314 1162584557 /nfs/dbraw/zinc/58/45/57/1162584557.db2.gz LNJJZUQCRHTFJS-SECBINFHSA-N -1 1 288.307 1.551 20 0 CDADMM CN(C(=O)c1cc(-c2ccccc2)ns1)c1nn[n-]n1 ZINC001130972112 1162760174 /nfs/dbraw/zinc/76/01/74/1162760174.db2.gz ODLTUJFYVHLOAX-UHFFFAOYSA-N -1 1 286.320 1.600 20 0 CDADMM CN(C(=O)c1cc(-c2ccccc2)on1)c1nn[n-]n1 ZINC001131170331 1162818561 /nfs/dbraw/zinc/81/85/61/1162818561.db2.gz XXFBLTYFFWFJJJ-UHFFFAOYSA-N -1 1 270.252 1.131 20 0 CDADMM O=C(Nc1cccc(CCO)c1)c1ccc([O-])cn1 ZINC001626351852 1158465367 /nfs/dbraw/zinc/46/53/67/1158465367.db2.gz PWVWCLSHXNBUEQ-UHFFFAOYSA-N -1 1 258.277 1.574 20 0 CDADMM CN(CC[S@@](C)=O)Cc1ccc(C(=O)[O-])cc1 ZINC000398924269 1158569556 /nfs/dbraw/zinc/56/95/56/1158569556.db2.gz MPWDYFOEKSMJOI-QGZVFWFLSA-N -1 1 255.339 1.195 20 0 CDADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCC1(CO)CC1 ZINC000395862875 1159588972 /nfs/dbraw/zinc/58/89/72/1159588972.db2.gz 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Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](C)[C@H]2C)c1 ZINC001605560222 1163609898 /nfs/dbraw/zinc/60/98/98/1163609898.db2.gz QLASXIHDTAMLBA-NXEZZACHSA-N -1 1 258.329 1.805 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](C)[C@H]2C)c1 ZINC001605560222 1163609902 /nfs/dbraw/zinc/60/99/02/1163609902.db2.gz QLASXIHDTAMLBA-NXEZZACHSA-N -1 1 258.329 1.805 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCC[C@H](F)C2)n1 ZINC001605573237 1163613081 /nfs/dbraw/zinc/61/30/81/1163613081.db2.gz WCYVQKVBYOZCNZ-DTWKUNHWSA-N -1 1 277.307 1.658 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCC[C@H](F)C2)n1 ZINC001605573237 1163613082 /nfs/dbraw/zinc/61/30/82/1163613082.db2.gz WCYVQKVBYOZCNZ-DTWKUNHWSA-N -1 1 277.307 1.658 20 0 CDADMM Cc1cc(NCCC[C@@H](C)CO)nc(-c2nnn[n-]2)c1 ZINC001605731262 1163653175 /nfs/dbraw/zinc/65/31/75/1163653175.db2.gz UKSANRKFCIMKDL-SECBINFHSA-N -1 1 276.344 1.391 20 0 CDADMM Cc1cc(NCCC[C@@H](C)CO)nc(-c2nn[n-]n2)c1 ZINC001605731262 1163653179 /nfs/dbraw/zinc/65/31/79/1163653179.db2.gz UKSANRKFCIMKDL-SECBINFHSA-N -1 1 276.344 1.391 20 0 CDADMM Cc1cc(NCCO[C@H]2CC2(F)F)nc(-c2nnn[n-]2)c1 ZINC001605736782 1163656564 /nfs/dbraw/zinc/65/65/64/1163656564.db2.gz TVANDQXJESSMPN-VIFPVBQESA-N -1 1 296.281 1.406 20 0 CDADMM Cc1cc(NCCO[C@H]2CC2(F)F)nc(-c2nn[n-]n2)c1 ZINC001605736782 1163656571 /nfs/dbraw/zinc/65/65/71/1163656571.db2.gz TVANDQXJESSMPN-VIFPVBQESA-N -1 1 296.281 1.406 20 0 CDADMM CC[C@H](NC(=O)[C@@H](N)Cc1cc2ccccc2o1)C(=O)[O-] ZINC001605759300 1163662647 /nfs/dbraw/zinc/66/26/47/1163662647.db2.gz POZATTDFLFTZKV-RYUDHWBXSA-N -1 1 290.319 1.282 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCS[C@H](C)CC1 ZINC001605802918 1163675191 /nfs/dbraw/zinc/67/51/91/1163675191.db2.gz OUFLTTKKVKCNHA-SNVBAGLBSA-N -1 1 290.396 1.902 20 0 CDADMM CCc1nc([C@H](C)N2CCSC[C@H](C(=O)[O-])C2)n[nH]1 ZINC001605842453 1163685281 /nfs/dbraw/zinc/68/52/81/1163685281.db2.gz MAVRNZSBJPZGMM-DTWKUNHWSA-N -1 1 284.385 1.178 20 0 CDADMM Cc1ccc(COc2cnc(-c3nn[n-]n3)nc2)cc1C ZINC001605859232 1163692138 /nfs/dbraw/zinc/69/21/38/1163692138.db2.gz PQZBEGDUNBWGMQ-UHFFFAOYSA-N -1 1 282.307 1.853 20 0 CDADMM Cc1ccc(N(C)C(=O)c2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001605865952 1163697906 /nfs/dbraw/zinc/69/79/06/1163697906.db2.gz BIRWOLDVXMIGMW-UHFFFAOYSA-N -1 1 294.318 1.847 20 0 CDADMM Cc1ccc(N(C)C(=O)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001605865952 1163697910 /nfs/dbraw/zinc/69/79/10/1163697910.db2.gz BIRWOLDVXMIGMW-UHFFFAOYSA-N -1 1 294.318 1.847 20 0 CDADMM CCc1oc(CN2CC[C@@H](n3cncn3)C2)cc1C(=O)[O-] ZINC001605890839 1163708708 /nfs/dbraw/zinc/70/87/08/1163708708.db2.gz WBMKKDHPHGJFAR-SNVBAGLBSA-N -1 1 290.323 1.579 20 0 CDADMM CN(C(=O)c1cccc(F)c1O)C(C)(C)C(=O)[O-] ZINC001605985038 1163736047 /nfs/dbraw/zinc/73/60/47/1163736047.db2.gz PXNAVLFWVWDTEB-UHFFFAOYSA-N -1 1 255.245 1.467 20 0 CDADMM Cc1[nH]nc(NC(=O)C(C)(C)C(C)(F)F)c1-c1nn[n-]n1 ZINC001606013245 1163743728 /nfs/dbraw/zinc/74/37/28/1163743728.db2.gz JEROVELKQRDIMU-UHFFFAOYSA-N -1 1 299.285 1.518 20 0 CDADMM CN(CCCC(=O)OC(C)(C)C)Cc1oncc1C(=O)[O-] ZINC001606115519 1163777584 /nfs/dbraw/zinc/77/75/84/1163777584.db2.gz RBJMTFORZCSGGJ-UHFFFAOYSA-N -1 1 298.339 1.927 20 0 CDADMM Cc1nsc(N2CCC[C@@H]([C@@H](C)O)C2)c1-c1nn[n-]n1 ZINC001606144323 1163787327 /nfs/dbraw/zinc/78/73/27/1163787327.db2.gz CWRDCNZGEBKAHG-RKDXNWHRSA-N -1 1 294.384 1.229 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCOCC1(C)C ZINC001606165879 1163792987 /nfs/dbraw/zinc/79/29/87/1163792987.db2.gz LMCXBUMQUVSERS-UHFFFAOYSA-N -1 1 291.311 1.019 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCOCC1(C)C ZINC001606165879 1163792993 /nfs/dbraw/zinc/79/29/93/1163792993.db2.gz LMCXBUMQUVSERS-UHFFFAOYSA-N -1 1 291.311 1.019 20 0 CDADMM CN(Cc1nnc[nH]1)c1ncc(C(=O)[O-])cc1Cl ZINC001606179294 1163799340 /nfs/dbraw/zinc/79/93/40/1163799340.db2.gz MCTAXUFNWXACMX-UHFFFAOYSA-N -1 1 267.676 1.188 20 0 CDADMM Cn1nccc1[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC001606279973 1163835752 /nfs/dbraw/zinc/83/57/52/1163835752.db2.gz CQJGLFIAXHHMFT-LBPRGKRZSA-N -1 1 296.338 1.337 20 0 CDADMM Cn1nccc1[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC001606279973 1163835760 /nfs/dbraw/zinc/83/57/60/1163835760.db2.gz CQJGLFIAXHHMFT-LBPRGKRZSA-N -1 1 296.338 1.337 20 0 CDADMM FC(F)(F)COCCNc1ccnc(-c2nnn[n-]2)c1 ZINC001606288941 1163838850 /nfs/dbraw/zinc/83/88/50/1163838850.db2.gz QXKLOUUAXGQCGT-UHFFFAOYSA-N -1 1 288.233 1.253 20 0 CDADMM FC(F)(F)COCCNc1ccnc(-c2nn[n-]n2)c1 ZINC001606288941 1163838854 /nfs/dbraw/zinc/83/88/54/1163838854.db2.gz QXKLOUUAXGQCGT-UHFFFAOYSA-N -1 1 288.233 1.253 20 0 CDADMM O=C(C=Cc1ccccc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001606482091 1163912982 /nfs/dbraw/zinc/91/29/82/1163912982.db2.gz MVIBBLGOBXDZKJ-VOTSOKGWSA-N -1 1 281.279 1.242 20 0 CDADMM O=C(C=Cc1ccccc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001606482091 1163912988 /nfs/dbraw/zinc/91/29/88/1163912988.db2.gz MVIBBLGOBXDZKJ-VOTSOKGWSA-N -1 1 281.279 1.242 20 0 CDADMM O=C(NCC[C@@H]1CCOC1)c1csc(-c2nn[n-]n2)c1 ZINC001606764785 1163988356 /nfs/dbraw/zinc/98/83/56/1163988356.db2.gz VSDFEZKTSQBETO-MRVPVSSYSA-N -1 1 293.352 1.085 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001606934016 1164031913 /nfs/dbraw/zinc/03/19/13/1164031913.db2.gz TYXGWFRPYKJTHG-AEJSXWLSSA-N -1 1 284.323 1.636 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001606934016 1164031919 /nfs/dbraw/zinc/03/19/19/1164031919.db2.gz TYXGWFRPYKJTHG-AEJSXWLSSA-N -1 1 284.323 1.636 20 0 CDADMM COCc1cc(CN[C@H](C[C@@H]2CCCOC2)C(=O)[O-])no1 ZINC001606941575 1164034614 /nfs/dbraw/zinc/03/46/14/1164034614.db2.gz JIXJHXFERNSYHS-GXFFZTMASA-N -1 1 298.339 1.181 20 0 CDADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H]1C[C@@H]1F ZINC001606949678 1164036390 /nfs/dbraw/zinc/03/63/90/1164036390.db2.gz IMFFQIJBSVWTGB-HRFVKAFMSA-N -1 1 288.695 1.273 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccnc(C2CC2)c1 ZINC001606945740 1164037395 /nfs/dbraw/zinc/03/73/95/1164037395.db2.gz MQMURDOYJUXACH-UHFFFAOYSA-N -1 1 296.294 1.115 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cccc2[nH]ccc21 ZINC001606945734 1164037721 /nfs/dbraw/zinc/03/77/21/1164037721.db2.gz MJNHOPSTJZVTIQ-UHFFFAOYSA-N -1 1 294.278 1.323 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC001607117027 1164099980 /nfs/dbraw/zinc/09/99/80/1164099980.db2.gz ZDDRZOQKYMMSMG-ZJUUUORDSA-N -1 1 288.380 1.736 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC001607117027 1164099982 /nfs/dbraw/zinc/09/99/82/1164099982.db2.gz ZDDRZOQKYMMSMG-ZJUUUORDSA-N -1 1 288.380 1.736 20 0 CDADMM c1cc(NC[C@H]2CCCSC2)cc(-c2nnn[n-]2)n1 ZINC001607121235 1164104176 /nfs/dbraw/zinc/10/41/76/1164104176.db2.gz MFPDJYNAOWZHPN-SECBINFHSA-N -1 1 276.369 1.239 20 0 CDADMM c1cc(NC[C@H]2CCCSC2)cc(-c2nn[n-]n2)n1 ZINC001607121235 1164104179 /nfs/dbraw/zinc/10/41/79/1164104179.db2.gz MFPDJYNAOWZHPN-SECBINFHSA-N -1 1 276.369 1.239 20 0 CDADMM COc1cc(C(=O)[O-])ccc1NC(=O)c1[nH]c(C)nc1C ZINC001607133970 1164113504 /nfs/dbraw/zinc/11/35/04/1164113504.db2.gz DUYWMKRJLHHCIY-UHFFFAOYSA-N -1 1 289.291 1.986 20 0 CDADMM c1cn2ncc(-c3nn[n-]n3)c2n1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC001607138044 1164118668 /nfs/dbraw/zinc/11/86/68/1164118668.db2.gz NKTPCRDERSYNCP-ILWJIGKKSA-N -1 1 269.312 1.362 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc3[nH]nnc3c2)C[C@]1(C)C(=O)[O-] ZINC001607474588 1164195285 /nfs/dbraw/zinc/19/52/85/1164195285.db2.gz RWTKGFHICLPTRQ-RTHLEPHNSA-N -1 1 288.307 1.141 20 0 CDADMM Cc1cc(CN2[C@@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)ncn1 ZINC001607640165 1164250926 /nfs/dbraw/zinc/25/09/26/1164250926.db2.gz LPZQLBKWCFUBPD-ZZVYKPCYSA-N -1 1 291.351 1.380 20 0 CDADMM Cc1ccccc1[C@@H](N)C(=O)NCc1ccoc1C(=O)[O-] ZINC001607879058 1164320063 /nfs/dbraw/zinc/32/00/63/1164320063.db2.gz QXWWZEWJVMPNNN-GFCCVEGCSA-N -1 1 288.303 1.602 20 0 CDADMM CCOc1cccc(C[N-]S(=O)(=O)c2cnoc2C)n1 ZINC001187414520 1164365759 /nfs/dbraw/zinc/36/57/59/1164365759.db2.gz SYJUSBKGHSTUDS-UHFFFAOYSA-N -1 1 297.336 1.255 20 0 CDADMM Cn1cnc(CN2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC001608135475 1164421816 /nfs/dbraw/zinc/42/18/16/1164421816.db2.gz DVCHFTHMZPJHED-SECBINFHSA-N -1 1 292.364 1.564 20 0 CDADMM N[C@@H](C(=O)N[C@H]1CC[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC001608247513 1164463898 /nfs/dbraw/zinc/46/38/98/1164463898.db2.gz JCFVUPNOCJQYFQ-OUAUKWLOSA-N -1 1 282.727 1.319 20 0 CDADMM N=C1Nc2nc3ccccc3n2[C@H](c2cc(C(=O)[O-])co2)N1 ZINC001608250447 1164466757 /nfs/dbraw/zinc/46/67/57/1164466757.db2.gz GJXAKNNTAPLQMA-LLVKDONJSA-N -1 1 297.274 1.824 20 0 CDADMM O=C([O-])[C@@H](CCF)NC(=O)c1[nH]nc2c1CCCCC2 ZINC001608398464 1164507553 /nfs/dbraw/zinc/50/75/53/1164507553.db2.gz ZXROGKOEJSFQBG-SNVBAGLBSA-N -1 1 283.303 1.221 20 0 CDADMM O=C([O-])C1(C(=O)N2CC(N3CCCC3)C2)CC2(CCC2)C1 ZINC001608560551 1164545777 /nfs/dbraw/zinc/54/57/77/1164545777.db2.gz ASSKDQKGCMGDEM-UHFFFAOYSA-N -1 1 292.379 1.328 20 0 CDADMM O=C([O-])[C@@H]1CC12CCN(Cc1[nH]nc3c1COCC3)CC2 ZINC001608608893 1164573017 /nfs/dbraw/zinc/57/30/17/1164573017.db2.gz XLOARZRFVDHQKH-NSHDSACASA-N -1 1 291.351 1.169 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H]2C[C@H](Nc3ncnc4[nH]cnc43)[C@@H]2C1 ZINC001608651600 1164591369 /nfs/dbraw/zinc/59/13/69/1164591369.db2.gz BZDGNVRLVZSQAN-BGZDPUMWSA-N -1 1 273.296 1.264 20 0 CDADMM O=C([O-])[C@@H]1OCC[C@@H]1NCc1nc(-c2ccccc2)c[nH]1 ZINC001608815636 1164647709 /nfs/dbraw/zinc/64/77/09/1164647709.db2.gz NXRQSTUXWBHULE-SMDDNHRTSA-N -1 1 287.319 1.408 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2nnc(C(F)F)s2)on1 ZINC001608838143 1164657759 /nfs/dbraw/zinc/65/77/59/1164657759.db2.gz UGQUFXIDXPLJQO-UHFFFAOYSA-N -1 1 290.207 1.414 20 0 CDADMM O=C([O-])c1ccc(-c2noc(CCc3nc[nH]n3)n2)cc1 ZINC001608869846 1164666912 /nfs/dbraw/zinc/66/69/12/1164666912.db2.gz IXHCCTHFUYXYDI-UHFFFAOYSA-N -1 1 285.263 1.338 20 0 CDADMM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1ncccn1 ZINC001608897170 1164677975 /nfs/dbraw/zinc/67/79/75/1164677975.db2.gz JGEDWAPUABYUST-UHFFFAOYSA-N -1 1 297.267 1.115 20 0 CDADMM O=C([O-])c1cccc(CN2C[C@@H]3COC(=O)[C@@H]3C2)c1Cl ZINC001608931481 1164687502 /nfs/dbraw/zinc/68/75/02/1164687502.db2.gz ZRPBSRCLHMYQLL-MWLCHTKSSA-N -1 1 295.722 1.643 20 0 CDADMM O=C([O-])c1cncc(CN2CC[C@@H](n3cccn3)C2)c1 ZINC001608980877 1164703366 /nfs/dbraw/zinc/70/33/66/1164703366.db2.gz UHMQZZLMCBVUSY-CYBMUJFWSA-N -1 1 272.308 1.423 20 0 CDADMM O=C([O-])c1coc(CNC(=O)[C@@H]2CCN2C2CCCC2)c1 ZINC001608988539 1164711023 /nfs/dbraw/zinc/71/10/23/1164711023.db2.gz NCXHDIVVFMPLSO-ZDUSSCGKSA-N -1 1 292.335 1.611 20 0 CDADMM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001609069659 1164757271 /nfs/dbraw/zinc/75/72/71/1164757271.db2.gz BUZHEKUDXZKQKY-QMMMGPOBSA-N -1 1 274.328 1.882 20 0 CDADMM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001609069659 1164757281 /nfs/dbraw/zinc/75/72/81/1164757281.db2.gz BUZHEKUDXZKQKY-QMMMGPOBSA-N -1 1 274.328 1.882 20 0 CDADMM CC(C)[C@]1(CO)CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001609090707 1164765066 /nfs/dbraw/zinc/76/50/66/1164765066.db2.gz CITJKDDEKWWSEH-CQSZACIVSA-N -1 1 288.355 1.107 20 0 CDADMM CC(C)[C@]1(CO)CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001609090707 1164765072 /nfs/dbraw/zinc/76/50/72/1164765072.db2.gz CITJKDDEKWWSEH-CQSZACIVSA-N -1 1 288.355 1.107 20 0 CDADMM C[C@H](CC(C)(C)C)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001609109231 1164772956 /nfs/dbraw/zinc/77/29/56/1164772956.db2.gz UZAADVRXTBBVQC-SECBINFHSA-N -1 1 260.345 1.920 20 0 CDADMM C[C@H](CC(C)(C)C)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001609109231 1164772962 /nfs/dbraw/zinc/77/29/62/1164772962.db2.gz UZAADVRXTBBVQC-SECBINFHSA-N -1 1 260.345 1.920 20 0 CDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(F)F ZINC001609132199 1164784933 /nfs/dbraw/zinc/78/49/33/1164784933.db2.gz MHYUYEHDPSPTNR-YFKPBYRVSA-N -1 1 269.211 1.072 20 0 CDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(F)F ZINC001609132199 1164784938 /nfs/dbraw/zinc/78/49/38/1164784938.db2.gz MHYUYEHDPSPTNR-YFKPBYRVSA-N -1 1 269.211 1.072 20 0 CDADMM C[C@@]1(CNc2ccnc(-c3nnn[n-]3)c2)CC1(Cl)Cl ZINC001609149729 1164796834 /nfs/dbraw/zinc/79/68/34/1164796834.db2.gz XYQBULWWHSCTAD-JTQLQIEISA-N -1 1 299.165 1.679 20 0 CDADMM C[C@@]1(CNc2ccnc(-c3nn[n-]n3)c2)CC1(Cl)Cl ZINC001609149729 1164796838 /nfs/dbraw/zinc/79/68/38/1164796838.db2.gz XYQBULWWHSCTAD-JTQLQIEISA-N -1 1 299.165 1.679 20 0 CDADMM C[C@@]1(F)CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001609150283 1164797261 /nfs/dbraw/zinc/79/72/61/1164797261.db2.gz UULQDKQJHCLOJX-GFCCVEGCSA-N -1 1 295.343 1.892 20 0 CDADMM C[C@@]1(F)CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001609150283 1164797268 /nfs/dbraw/zinc/79/72/68/1164797268.db2.gz UULQDKQJHCLOJX-GFCCVEGCSA-N -1 1 295.343 1.892 20 0 CDADMM C[C@H]1c2ccsc2CCN1c1ncncc1-c1nn[n-]n1 ZINC001609180753 1164820346 /nfs/dbraw/zinc/82/03/46/1164820346.db2.gz RKDMMOUESPOEHY-QMMMGPOBSA-N -1 1 299.363 1.842 20 0 CDADMM CC[C@]1(C)CN(c2ccc(C)c(-c3nnn[n-]3)n2)CCO1 ZINC001609196437 1164836565 /nfs/dbraw/zinc/83/65/65/1164836565.db2.gz JKLAPJDXFOUSMV-CQSZACIVSA-N -1 1 288.355 1.575 20 0 CDADMM CC[C@]1(C)CN(c2ccc(C)c(-c3nn[n-]n3)n2)CCO1 ZINC001609196437 1164836572 /nfs/dbraw/zinc/83/65/72/1164836572.db2.gz JKLAPJDXFOUSMV-CQSZACIVSA-N -1 1 288.355 1.575 20 0 CDADMM CCOCCCOC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609240607 1164861322 /nfs/dbraw/zinc/86/13/22/1164861322.db2.gz ROKAAHCXJPUJOB-UHFFFAOYSA-N -1 1 266.257 1.043 20 0 CDADMM CCSCCOC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609248547 1164864554 /nfs/dbraw/zinc/86/45/54/1164864554.db2.gz FNGVZPQEOZBSSQ-UHFFFAOYSA-N -1 1 279.325 1.172 20 0 CDADMM CCSCCOC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609248547 1164864559 /nfs/dbraw/zinc/86/45/59/1164864559.db2.gz FNGVZPQEOZBSSQ-UHFFFAOYSA-N -1 1 279.325 1.172 20 0 CDADMM CN(CCc1ccccn1)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609276331 1164877660 /nfs/dbraw/zinc/87/76/60/1164877660.db2.gz DSZRLGKEJFLJNO-UHFFFAOYSA-N -1 1 298.306 1.169 20 0 CDADMM CN(CCc1ccccn1)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609276331 1164877663 /nfs/dbraw/zinc/87/76/63/1164877663.db2.gz DSZRLGKEJFLJNO-UHFFFAOYSA-N -1 1 298.306 1.169 20 0 CDADMM Cc1cc(NCC(C)(F)F)cc(-c2nn[n-]n2)n1 ZINC001609409807 1164933356 /nfs/dbraw/zinc/93/33/56/1164933356.db2.gz XJINEVOMBKMYRL-UHFFFAOYSA-N -1 1 254.244 1.637 20 0 CDADMM Cc1cc(N2CCCO[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001609405769 1164932203 /nfs/dbraw/zinc/93/22/03/1164932203.db2.gz XMOHWYBDLWWVBY-SNVBAGLBSA-N -1 1 274.328 1.185 20 0 CDADMM Cc1cc(N2CCCO[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001609405769 1164932210 /nfs/dbraw/zinc/93/22/10/1164932210.db2.gz XMOHWYBDLWWVBY-SNVBAGLBSA-N -1 1 274.328 1.185 20 0 CDADMM Cc1cc(NCC(C)(F)F)cc(-c2nnn[n-]2)n1 ZINC001609409807 1164933351 /nfs/dbraw/zinc/93/33/51/1164933351.db2.gz XJINEVOMBKMYRL-UHFFFAOYSA-N -1 1 254.244 1.637 20 0 CDADMM Cc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)cc1F ZINC001609426870 1164943787 /nfs/dbraw/zinc/94/37/87/1164943787.db2.gz WLQRZPNGXKFKBB-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)cc1F ZINC001609426870 1164943794 /nfs/dbraw/zinc/94/37/94/1164943794.db2.gz WLQRZPNGXKFKBB-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC2(CCC2)C1 ZINC001609466965 1164963963 /nfs/dbraw/zinc/96/39/63/1164963963.db2.gz PKGZVUHFLMKUBN-UHFFFAOYSA-N -1 1 287.323 1.784 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC2(CCC2)C1 ZINC001609466965 1164963966 /nfs/dbraw/zinc/96/39/66/1164963966.db2.gz PKGZVUHFLMKUBN-UHFFFAOYSA-N -1 1 287.323 1.784 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC(C)(C)C ZINC001609467917 1164965317 /nfs/dbraw/zinc/96/53/17/1164965317.db2.gz BBXLQDVPTNRBNK-UHFFFAOYSA-N -1 1 264.285 1.971 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC(C)(C)C ZINC001609467917 1164965321 /nfs/dbraw/zinc/96/53/21/1164965321.db2.gz BBXLQDVPTNRBNK-UHFFFAOYSA-N -1 1 264.285 1.971 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCCC[C@@H]1C ZINC001609466774 1164965741 /nfs/dbraw/zinc/96/57/41/1164965741.db2.gz JEYUPLOTZRZGBG-QMMMGPOBSA-N -1 1 275.312 1.783 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCCC[C@@H]1C ZINC001609466774 1164965746 /nfs/dbraw/zinc/96/57/46/1164965746.db2.gz JEYUPLOTZRZGBG-QMMMGPOBSA-N -1 1 275.312 1.783 20 0 CDADMM Fc1ccc(CNc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC001609490775 1164974079 /nfs/dbraw/zinc/97/40/79/1164974079.db2.gz XCWQXARCAOCPCW-UHFFFAOYSA-N -1 1 259.248 1.341 20 0 CDADMM Fc1ccc(CNc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC001609490775 1164974083 /nfs/dbraw/zinc/97/40/83/1164974083.db2.gz XCWQXARCAOCPCW-UHFFFAOYSA-N -1 1 259.248 1.341 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CCC[C@]3(CCOC3)C2)c1 ZINC001609613269 1165007940 /nfs/dbraw/zinc/00/79/40/1165007940.db2.gz VYWVHIFCZOZWHL-AWEZNQCLSA-N -1 1 286.339 1.269 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CCC[C@]3(CCOC3)C2)c1 ZINC001609613269 1165007943 /nfs/dbraw/zinc/00/79/43/1165007943.db2.gz VYWVHIFCZOZWHL-AWEZNQCLSA-N -1 1 286.339 1.269 20 0 CDADMM c1cc(N2CCC[C@H]3CCC[C@H]32)nc(-c2nn[n-]n2)n1 ZINC001609614373 1165009801 /nfs/dbraw/zinc/00/98/01/1165009801.db2.gz MYIQGVSMVZEXDM-NXEZZACHSA-N -1 1 271.328 1.426 20 0 CDADMM c1nc(N2CC3(C2)CCCCC3)cnc1-c1nnn[n-]1 ZINC001609620951 1165018018 /nfs/dbraw/zinc/01/80/18/1165018018.db2.gz KEWMORMURVABJM-UHFFFAOYSA-N -1 1 271.328 1.427 20 0 CDADMM c1nc(N2CC3(C2)CCCCC3)cnc1-c1nn[n-]n1 ZINC001609620951 1165018025 /nfs/dbraw/zinc/01/80/25/1165018025.db2.gz KEWMORMURVABJM-UHFFFAOYSA-N -1 1 271.328 1.427 20 0 CDADMM C[C@@H](C(=O)[O-])N(C(=O)c1ccc2[nH]nnc2c1)C1CCC1 ZINC001609640696 1165024604 /nfs/dbraw/zinc/02/46/04/1165024604.db2.gz MFBSUGXZGYGURD-QMMMGPOBSA-N -1 1 288.307 1.426 20 0 CDADMM CN(Cc1ccc(C(=O)[O-])o1)Cc1ccc(C(N)=O)cc1 ZINC001610121191 1165224116 /nfs/dbraw/zinc/22/41/16/1165224116.db2.gz REXOLSMZLLQCEV-UHFFFAOYSA-N -1 1 288.303 1.709 20 0 CDADMM O=C(N[C@H]1CCC[C@@H]1O)c1c([O-])cccc1Cl ZINC000871113287 1165265251 /nfs/dbraw/zinc/26/52/51/1165265251.db2.gz MHIORLADBZTYNO-IUCAKERBSA-N -1 1 255.701 1.689 20 0 CDADMM Cc1cc(F)ccc1CN[C@@H](C(=O)[O-])c1ccnn1C ZINC001610466271 1165322604 /nfs/dbraw/zinc/32/26/04/1165322604.db2.gz PBUKWFWHDNORMV-CYBMUJFWSA-N -1 1 277.299 1.783 20 0 CDADMM Cc1nnc(CNC(=O)c2ncc3ccccc3c2[O-])n1C ZINC001631551348 1166286756 /nfs/dbraw/zinc/28/67/56/1166286756.db2.gz LOZXVPRFXRNUPT-UHFFFAOYSA-N -1 1 297.318 1.307 20 0 CDADMM COC(C)(C)CCNC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000879416073 1166347491 /nfs/dbraw/zinc/34/74/91/1166347491.db2.gz MVAKRFZWRZHMDV-UHFFFAOYSA-N -1 1 291.355 1.278 20 0 CDADMM COc1cccc([O-])c1C(=O)N(C)c1nccn1C ZINC001634380735 1166496758 /nfs/dbraw/zinc/49/67/58/1166496758.db2.gz CESSUXYKPWWVFD-UHFFFAOYSA-N -1 1 261.281 1.411 20 0 CDADMM CCC(CC)(NC(=O)c1cc(C)co1)c1nn[n-]n1 ZINC001634819814 1166539394 /nfs/dbraw/zinc/53/93/94/1166539394.db2.gz FIGKODSGKGULRD-UHFFFAOYSA-N -1 1 263.301 1.546 20 0 CDADMM C[C@@H]1Cc2cnccc2N1C(=O)c1cncc([O-])c1 ZINC001635021559 1166554767 /nfs/dbraw/zinc/55/47/67/1166554767.db2.gz KFNOTXATXFOWPA-SECBINFHSA-N -1 1 255.277 1.774 20 0 CDADMM CCC(CC)(NC(=O)[C@@H]1CC[C@H](C)C1)c1nn[n-]n1 ZINC001640154749 1167000039 /nfs/dbraw/zinc/00/00/39/1167000039.db2.gz HDCYRMKOVSMUDD-VHSXEESVSA-N -1 1 265.361 1.767 20 0 CDADMM CCC(CC)(NC(=O)[C@@H]1CC[C@@H](C)C1)c1nn[n-]n1 ZINC001640154747 1167000262 /nfs/dbraw/zinc/00/02/62/1167000262.db2.gz HDCYRMKOVSMUDD-NXEZZACHSA-N -1 1 265.361 1.767 20 0 CDADMM Cc1ncc(CNC(=O)c2[n-][nH]c3cc(=O)ccc2-3)cn1 ZINC001155269397 1167110274 /nfs/dbraw/zinc/11/02/74/1167110274.db2.gz DFPOEONJNZZXEZ-UHFFFAOYSA-N -1 1 283.291 1.297 20 0 CDADMM CCc1cc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)no1 ZINC001642562960 1167180852 /nfs/dbraw/zinc/18/08/52/1167180852.db2.gz UGYVAXAEOVRFDW-GFCCVEGCSA-N -1 1 298.306 1.270 20 0 CDADMM CCNCc1nc(-c2ccc(OCC(=O)[O-])cc2)no1 ZINC001645873932 1167546316 /nfs/dbraw/zinc/54/63/16/1167546316.db2.gz OBPMFAGJCHLJCT-UHFFFAOYSA-N -1 1 277.280 1.310 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1COc2ccc(F)cc2C1 ZINC001645988607 1167599723 /nfs/dbraw/zinc/59/97/23/1167599723.db2.gz RAIARWYFIZQDMA-SECBINFHSA-N -1 1 291.282 1.753 20 0 CDADMM COCCS(=O)(=O)[N-]c1ccc(C(=O)C2CC2)cc1 ZINC000062322306 1168365844 /nfs/dbraw/zinc/36/58/44/1168365844.db2.gz WMPGNUMPPQWITG-UHFFFAOYSA-N -1 1 283.349 1.667 20 0 CDADMM COC(=O)c1cc(C(=O)[N-]c2cccc3ocnc32)on1 ZINC001648647595 1169145096 /nfs/dbraw/zinc/14/50/96/1169145096.db2.gz PJRYSHDTRDHCMO-UHFFFAOYSA-N -1 1 287.231 1.855 20 0 CDADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCOCC12CC2 ZINC001650019816 1169615508 /nfs/dbraw/zinc/61/55/08/1169615508.db2.gz HYIFKTXYQDYDOI-UHFFFAOYSA-N -1 1 275.308 1.065 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)CCc1nc2cccnc2[nH]1 ZINC001569836016 1170012703 /nfs/dbraw/zinc/01/27/03/1170012703.db2.gz LGJRPNCRWHYASS-UHFFFAOYSA-N -1 1 286.295 1.266 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(-c2cnn(C)c2)o1 ZINC001569836420 1170013744 /nfs/dbraw/zinc/01/37/44/1170013744.db2.gz TYMJEEKLEDZTLO-UHFFFAOYSA-N -1 1 287.279 1.670 20 0 CDADMM CC(C)(C)n1ncnc1CN1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-] ZINC001573475037 1170669381 /nfs/dbraw/zinc/66/93/81/1170669381.db2.gz DLWNBEQUWXOARU-UMNHJUIQSA-N -1 1 278.356 1.471 20 0 CDADMM C[C@H](C1CC1)N(C(=O)CN[C@@H](CC1CC1)C(=O)[O-])C1CC1 ZINC001573534950 1170684999 /nfs/dbraw/zinc/68/49/99/1170684999.db2.gz GKPQQKQYDYNWNR-YGRLFVJLSA-N -1 1 294.395 1.619 20 0 CDADMM CC(C)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)no1 ZINC001574409148 1170974732 /nfs/dbraw/zinc/97/47/32/1170974732.db2.gz IEVAQABMMZELQF-UHFFFAOYSA-N -1 1 299.294 1.625 20 0 CDADMM CC(C)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)no1 ZINC001574409148 1170974736 /nfs/dbraw/zinc/97/47/36/1170974736.db2.gz IEVAQABMMZELQF-UHFFFAOYSA-N -1 1 299.294 1.625 20 0 CDADMM O=C([O-])c1cccc(CN[C@@H]2CCCC(F)(F)[C@H]2O)n1 ZINC001574414885 1170976847 /nfs/dbraw/zinc/97/68/47/1170976847.db2.gz IJMSOLQKRPAUNA-KOLCDFICSA-N -1 1 286.278 1.418 20 0 CDADMM O=C([O-])c1cnn2cc(CN3CCC[C@@H](CF)C3)cnc12 ZINC001574423634 1170980119 /nfs/dbraw/zinc/98/01/19/1170980119.db2.gz XGBNEONUHZOUNT-JTQLQIEISA-N -1 1 292.314 1.609 20 0 CDADMM CCNc1ccc(NC(=O)c2cncc([O-])c2)cn1 ZINC001653107908 1171505639 /nfs/dbraw/zinc/50/56/39/1171505639.db2.gz LGGLFTXVHGIJFS-UHFFFAOYSA-N -1 1 258.281 1.866 20 0 CDADMM Cc1ccc(Cn2cnc(-c3nn[n-]n3)cc2=O)c(C)c1 ZINC001581202478 1172592660 /nfs/dbraw/zinc/59/26/60/1172592660.db2.gz TVEVWVXEESDMRG-UHFFFAOYSA-N -1 1 282.307 1.089 20 0 CDADMM C1=C(CCNc2cc(-c3nnn[n-]3)ncn2)CCC1 ZINC001588384445 1173057954 /nfs/dbraw/zinc/05/79/54/1173057954.db2.gz OFSJUTOHAPXSNV-UHFFFAOYSA-N -1 1 257.301 1.569 20 0 CDADMM c1coc(C2=CCCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001588388944 1173058711 /nfs/dbraw/zinc/05/87/11/1173058711.db2.gz OFQVHLWBKNFGLZ-UHFFFAOYSA-N -1 1 295.306 1.543 20 0 CDADMM c1coc(C2=CCCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001588388944 1173058717 /nfs/dbraw/zinc/05/87/17/1173058717.db2.gz OFQVHLWBKNFGLZ-UHFFFAOYSA-N -1 1 295.306 1.543 20 0 CDADMM CC(C)(C)CC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001589118720 1173124710 /nfs/dbraw/zinc/12/47/10/1173124710.db2.gz HNGSMNUVFQADHQ-SECBINFHSA-N -1 1 291.359 1.256 20 0 CDADMM CC(C)(C)CC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001589118720 1173124713 /nfs/dbraw/zinc/12/47/13/1173124713.db2.gz HNGSMNUVFQADHQ-SECBINFHSA-N -1 1 291.359 1.256 20 0 CDADMM CC(C)(C)OCC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589194175 1173128847 /nfs/dbraw/zinc/12/88/47/1173128847.db2.gz YQVNOQKJOQMRPL-UHFFFAOYSA-N -1 1 276.300 1.015 20 0 CDADMM CC(C)(C)OCC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589194175 1173128851 /nfs/dbraw/zinc/12/88/51/1173128851.db2.gz YQVNOQKJOQMRPL-UHFFFAOYSA-N -1 1 276.300 1.015 20 0 CDADMM CC(C)=C(C)C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001589346693 1173140201 /nfs/dbraw/zinc/14/02/01/1173140201.db2.gz YKHQELACDANRPU-UHFFFAOYSA-N -1 1 287.327 1.762 20 0 CDADMM CC(C)[C@H](O)CCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589477027 1173149001 /nfs/dbraw/zinc/14/90/01/1173149001.db2.gz YKGARQGYGAULDY-SECBINFHSA-N -1 1 295.368 1.065 20 0 CDADMM CC(C)[C@@H](O)COc1cccc(F)c1-c1nnn[n-]1 ZINC001589479984 1173149578 /nfs/dbraw/zinc/14/95/78/1173149578.db2.gz IFYUNJDNAVQGNH-VIFPVBQESA-N -1 1 266.276 1.402 20 0 CDADMM CC(C)[C@@H](O)COc1cccc(F)c1-c1nn[n-]n1 ZINC001589479984 1173149583 /nfs/dbraw/zinc/14/95/83/1173149583.db2.gz IFYUNJDNAVQGNH-VIFPVBQESA-N -1 1 266.276 1.402 20 0 CDADMM CC(C)[C@@H]1C[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001589503323 1173150958 /nfs/dbraw/zinc/15/09/58/1173150958.db2.gz RAMJTEXFUAUQDC-VHSXEESVSA-N -1 1 287.323 1.803 20 0 CDADMM CC(C)[C@H]1C[C@H]1C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001589501014 1173152146 /nfs/dbraw/zinc/15/21/46/1173152146.db2.gz AJZAGJHPTUZMOM-GHMZBOCLSA-N -1 1 287.323 1.597 20 0 CDADMM CC(C)[C@H]1C[C@H]1C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001589501014 1173152152 /nfs/dbraw/zinc/15/21/52/1173152152.db2.gz AJZAGJHPTUZMOM-GHMZBOCLSA-N -1 1 287.323 1.597 20 0 CDADMM C[C@H](CC(C)(C)O)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589795036 1173183327 /nfs/dbraw/zinc/18/33/27/1173183327.db2.gz CFGCQJADTGXESN-SSDOTTSWSA-N -1 1 296.352 1.635 20 0 CDADMM C[C@H](CC(C)(C)O)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589795036 1173183336 /nfs/dbraw/zinc/18/33/36/1173183336.db2.gz CFGCQJADTGXESN-SSDOTTSWSA-N -1 1 296.352 1.635 20 0 CDADMM C[C@H](CC1CCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001589801572 1173185724 /nfs/dbraw/zinc/18/57/24/1173185724.db2.gz NMYDYDVHLHJOSF-MRVPVSSYSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@H](CC1CCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001589801572 1173185727 /nfs/dbraw/zinc/18/57/27/1173185727.db2.gz NMYDYDVHLHJOSF-MRVPVSSYSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@@H](CCc1ccco1)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001589836810 1173189758 /nfs/dbraw/zinc/18/97/58/1173189758.db2.gz RUPWJJQYSMPNRP-VIFPVBQESA-N -1 1 285.311 1.683 20 0 CDADMM C[C@@H](CCc1ccco1)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001589836810 1173189762 /nfs/dbraw/zinc/18/97/62/1173189762.db2.gz RUPWJJQYSMPNRP-VIFPVBQESA-N -1 1 285.311 1.683 20 0 CDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001589880004 1173194159 /nfs/dbraw/zinc/19/41/59/1173194159.db2.gz XFHSHHBAIOLDKX-QMMMGPOBSA-N -1 1 261.333 1.751 20 0 CDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001589880004 1173194162 /nfs/dbraw/zinc/19/41/62/1173194162.db2.gz XFHSHHBAIOLDKX-QMMMGPOBSA-N -1 1 261.333 1.751 20 0 CDADMM C[C@@H](Cc1ccccc1F)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001589899195 1173197882 /nfs/dbraw/zinc/19/78/82/1173197882.db2.gz GHGXLISPDFLVAA-VIFPVBQESA-N -1 1 299.313 1.839 20 0 CDADMM C[C@@H](Cc1ccccc1F)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001589899195 1173197888 /nfs/dbraw/zinc/19/78/88/1173197888.db2.gz GHGXLISPDFLVAA-VIFPVBQESA-N -1 1 299.313 1.839 20 0 CDADMM CC1(C)C(CNc2ccc(-c3nnn[n-]3)nn2)C1(C)C ZINC001590077538 1173247028 /nfs/dbraw/zinc/24/70/28/1173247028.db2.gz WSNMXXBDJHXKEN-UHFFFAOYSA-N -1 1 273.344 1.751 20 0 CDADMM CC1(C)C(CNc2ccc(-c3nn[n-]n3)nn2)C1(C)C ZINC001590077538 1173247032 /nfs/dbraw/zinc/24/70/32/1173247032.db2.gz WSNMXXBDJHXKEN-UHFFFAOYSA-N -1 1 273.344 1.751 20 0 CDADMM CC1(C)CC[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590090894 1173254374 /nfs/dbraw/zinc/25/43/74/1173254374.db2.gz ULQFJVZRBNTISN-SNVBAGLBSA-N -1 1 258.329 1.674 20 0 CDADMM CC1(C)CC[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590090894 1173254382 /nfs/dbraw/zinc/25/43/82/1173254382.db2.gz ULQFJVZRBNTISN-SNVBAGLBSA-N -1 1 258.329 1.674 20 0 CDADMM CC1(C)CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)O1 ZINC001590092992 1173254859 /nfs/dbraw/zinc/25/48/59/1173254859.db2.gz FBSHMLLJCSZBHL-VIFPVBQESA-N -1 1 289.343 1.416 20 0 CDADMM CC1(C)CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)O1 ZINC001590092992 1173254864 /nfs/dbraw/zinc/25/48/64/1173254864.db2.gz FBSHMLLJCSZBHL-VIFPVBQESA-N -1 1 289.343 1.416 20 0 CDADMM CC1(C)CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590098987 1173256554 /nfs/dbraw/zinc/25/65/54/1173256554.db2.gz AZZUXLFSRYJSSH-UHFFFAOYSA-N -1 1 272.312 1.134 20 0 CDADMM CC1(C)CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590098987 1173256560 /nfs/dbraw/zinc/25/65/60/1173256560.db2.gz AZZUXLFSRYJSSH-UHFFFAOYSA-N -1 1 272.312 1.134 20 0 CDADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1c1ccco1 ZINC001590108833 1173260184 /nfs/dbraw/zinc/26/01/84/1173260184.db2.gz KDIZTWFEAUWOEA-GFCCVEGCSA-N -1 1 297.322 1.837 20 0 CDADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1c1ccco1 ZINC001590108833 1173260187 /nfs/dbraw/zinc/26/01/87/1173260187.db2.gz KDIZTWFEAUWOEA-GFCCVEGCSA-N -1 1 297.322 1.837 20 0 CDADMM CC1(C)CN(c2cc(-c3nnn[n-]3)ncn2)C1(C)C ZINC001590106853 1173260982 /nfs/dbraw/zinc/26/09/82/1173260982.db2.gz WJTJTKNMGTUEFY-UHFFFAOYSA-N -1 1 259.317 1.282 20 0 CDADMM CC1(C)CN(c2cc(-c3nn[n-]n3)ncn2)C1(C)C ZINC001590106853 1173260987 /nfs/dbraw/zinc/26/09/87/1173260987.db2.gz WJTJTKNMGTUEFY-UHFFFAOYSA-N -1 1 259.317 1.282 20 0 CDADMM CC1(F)CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590141871 1173270086 /nfs/dbraw/zinc/27/00/86/1173270086.db2.gz PVAGLUFFXRMXQI-UHFFFAOYSA-N -1 1 290.302 1.226 20 0 CDADMM CC1(F)CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590141871 1173270097 /nfs/dbraw/zinc/27/00/97/1173270097.db2.gz PVAGLUFFXRMXQI-UHFFFAOYSA-N -1 1 290.302 1.226 20 0 CDADMM C[C@@]1(c2ccccc2)C[C@@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590152030 1173273735 /nfs/dbraw/zinc/27/37/35/1173273735.db2.gz QFIOGHIWXULSOJ-HOCLYGCPSA-N -1 1 292.346 1.826 20 0 CDADMM C[C@@]1(c2ccccc2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590152030 1173273741 /nfs/dbraw/zinc/27/37/41/1173273741.db2.gz QFIOGHIWXULSOJ-HOCLYGCPSA-N -1 1 292.346 1.826 20 0 CDADMM Cc1nsc(N2CCC=C(C)C2)c1-c1nn[n-]n1 ZINC001590160847 1173277915 /nfs/dbraw/zinc/27/79/15/1173277915.db2.gz IDJLKFCSOQLWFO-UHFFFAOYSA-N -1 1 262.342 1.788 20 0 CDADMM C[C@H]1C[C@H](NC(=O)c2ccsc2-c2nn[n-]n2)CS1 ZINC001590203161 1173290134 /nfs/dbraw/zinc/29/01/34/1173290134.db2.gz NNBMOXIQYWFFQF-BQBZGAKWSA-N -1 1 295.393 1.552 20 0 CDADMM C[C@H]1C[C@H](NC(=O)c2ccsc2-c2nnn[n-]2)CS1 ZINC001590203161 1173290132 /nfs/dbraw/zinc/29/01/32/1173290132.db2.gz NNBMOXIQYWFFQF-BQBZGAKWSA-N -1 1 295.393 1.552 20 0 CDADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)c2nccn21 ZINC001590202383 1173290283 /nfs/dbraw/zinc/29/02/83/1173290283.db2.gz GSKDRSPHYNZHJD-HTQZYQBOSA-N -1 1 299.294 1.092 20 0 CDADMM CC1CC(NC(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001590201893 1173290789 /nfs/dbraw/zinc/29/07/89/1173290789.db2.gz CKPRUBDDHVFHIW-UHFFFAOYSA-N -1 1 263.326 1.457 20 0 CDADMM C[C@@H]1C[C@@H]1COC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590223138 1173303097 /nfs/dbraw/zinc/30/30/97/1173303097.db2.gz ZNOVLPRGECUXMR-PSASIEDQSA-N -1 1 273.296 1.003 20 0 CDADMM C[C@@H]1C[C@@H]1COC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590223138 1173303103 /nfs/dbraw/zinc/30/31/03/1173303103.db2.gz ZNOVLPRGECUXMR-PSASIEDQSA-N -1 1 273.296 1.003 20 0 CDADMM C[C@H]1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590231259 1173306595 /nfs/dbraw/zinc/30/65/95/1173306595.db2.gz PWSDYKXRSPPECX-VHSXEESVSA-N -1 1 286.339 1.428 20 0 CDADMM C[C@H]1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590231259 1173306603 /nfs/dbraw/zinc/30/66/03/1173306603.db2.gz PWSDYKXRSPPECX-VHSXEESVSA-N -1 1 286.339 1.428 20 0 CDADMM CC[C@H](C)C(=O)COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590390284 1173385335 /nfs/dbraw/zinc/38/53/35/1173385335.db2.gz CMHALZPHHGDCRY-QMMMGPOBSA-N -1 1 289.295 1.034 20 0 CDADMM CC[C@H](C)C(=O)COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590390284 1173385337 /nfs/dbraw/zinc/38/53/37/1173385337.db2.gz CMHALZPHHGDCRY-QMMMGPOBSA-N -1 1 289.295 1.034 20 0 CDADMM CC[C@H]1CCC[C@@H]1C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001590510728 1173442629 /nfs/dbraw/zinc/44/26/29/1173442629.db2.gz ZCDLRPQIANGAMM-YUMQZZPRSA-N -1 1 275.316 1.355 20 0 CDADMM CC[C@H]1CCCN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590513475 1173443483 /nfs/dbraw/zinc/44/34/83/1173443483.db2.gz SVFMRTMWMZAEOY-VIFPVBQESA-N -1 1 275.312 1.722 20 0 CDADMM CC[C@H]1CCCN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590513475 1173443488 /nfs/dbraw/zinc/44/34/88/1173443488.db2.gz SVFMRTMWMZAEOY-VIFPVBQESA-N -1 1 275.312 1.722 20 0 CDADMM CCCCn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001590617237 1173475726 /nfs/dbraw/zinc/47/57/26/1173475726.db2.gz XVMJKUCYSKNLIU-UHFFFAOYSA-N -1 1 259.313 1.317 20 0 CDADMM CCN(Cc1ccccc1C)c1cc(-c2nnn[n-]2)ncn1 ZINC001590721379 1173500740 /nfs/dbraw/zinc/50/07/40/1173500740.db2.gz VWTDXNOXLKKMRS-UHFFFAOYSA-N -1 1 295.350 1.992 20 0 CDADMM CCN(Cc1ccccc1C)c1cc(-c2nn[n-]n2)ncn1 ZINC001590721379 1173500748 /nfs/dbraw/zinc/50/07/48/1173500748.db2.gz VWTDXNOXLKKMRS-UHFFFAOYSA-N -1 1 295.350 1.992 20 0 CDADMM CC[C@@H]1C[C@H]1C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001590860134 1173531647 /nfs/dbraw/zinc/53/16/47/1173531647.db2.gz LYMRLMVXEOWOON-RNFRBKRXSA-N -1 1 279.325 1.413 20 0 CDADMM CC[C@@H]1C[C@H]1C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001590860134 1173531653 /nfs/dbraw/zinc/53/16/53/1173531653.db2.gz LYMRLMVXEOWOON-RNFRBKRXSA-N -1 1 279.325 1.413 20 0 CDADMM CCc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)o2)n[nH]1 ZINC001590881991 1173535315 /nfs/dbraw/zinc/53/53/15/1173535315.db2.gz RLWAOOSTXPNYKE-UHFFFAOYSA-N -1 1 288.267 1.102 20 0 CDADMM CCc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)o2)n[nH]1 ZINC001590881991 1173535321 /nfs/dbraw/zinc/53/53/21/1173535321.db2.gz RLWAOOSTXPNYKE-UHFFFAOYSA-N -1 1 288.267 1.102 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC=C(C)CC2)n1 ZINC001590905608 1173539054 /nfs/dbraw/zinc/53/90/54/1173539054.db2.gz FGZGLZJOLBZOKU-UHFFFAOYSA-N -1 1 271.328 1.376 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC=C(C)CC2)n1 ZINC001590905608 1173539059 /nfs/dbraw/zinc/53/90/59/1173539059.db2.gz FGZGLZJOLBZOKU-UHFFFAOYSA-N -1 1 271.328 1.376 20 0 CDADMM CN(C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590977649 1173556581 /nfs/dbraw/zinc/55/65/81/1173556581.db2.gz MMFYSVUNBXREFZ-GMTAPVOTSA-N -1 1 298.350 1.661 20 0 CDADMM CN(C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590977649 1173556585 /nfs/dbraw/zinc/55/65/85/1173556585.db2.gz MMFYSVUNBXREFZ-GMTAPVOTSA-N -1 1 298.350 1.661 20 0 CDADMM CN(CCc1ccncc1)c1cccnc1-c1nnn[n-]1 ZINC001591122421 1173574329 /nfs/dbraw/zinc/57/43/29/1173574329.db2.gz BIWQSONRCDPOKW-UHFFFAOYSA-N -1 1 281.323 1.336 20 0 CDADMM CN(CCc1ccncc1)c1cccnc1-c1nn[n-]n1 ZINC001591122421 1173574336 /nfs/dbraw/zinc/57/43/36/1173574336.db2.gz BIWQSONRCDPOKW-UHFFFAOYSA-N -1 1 281.323 1.336 20 0 CDADMM CN(Cc1ccoc1)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591150073 1173581217 /nfs/dbraw/zinc/58/12/17/1173581217.db2.gz LUKKYLKXSCBSAR-UHFFFAOYSA-N -1 1 298.306 1.056 20 0 CDADMM CN(Cc1ccoc1)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591150073 1173581224 /nfs/dbraw/zinc/58/12/24/1173581224.db2.gz LUKKYLKXSCBSAR-UHFFFAOYSA-N -1 1 298.306 1.056 20 0 CDADMM CN(Cc1nccs1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591152941 1173586151 /nfs/dbraw/zinc/58/61/51/1173586151.db2.gz WFTGGUDRVDJWEH-UHFFFAOYSA-N -1 1 290.308 1.188 20 0 CDADMM CN(Cc1nccs1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591152941 1173586154 /nfs/dbraw/zinc/58/61/54/1173586154.db2.gz WFTGGUDRVDJWEH-UHFFFAOYSA-N -1 1 290.308 1.188 20 0 CDADMM COC(=O)c1ccc(Oc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001591298733 1173599466 /nfs/dbraw/zinc/59/94/66/1173599466.db2.gz XLCZVCALMCPVSI-UHFFFAOYSA-N -1 1 298.262 1.236 20 0 CDADMM COC(=O)c1ccc(Oc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001591298733 1173599470 /nfs/dbraw/zinc/59/94/70/1173599470.db2.gz XLCZVCALMCPVSI-UHFFFAOYSA-N -1 1 298.262 1.236 20 0 CDADMM CO[C@H](C)CC(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001591320794 1173607960 /nfs/dbraw/zinc/60/79/60/1173607960.db2.gz KRXXYGXARCDZOI-ZCFIWIBFSA-N -1 1 296.356 1.019 20 0 CDADMM CO[C@H](C)CC(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001591320794 1173607962 /nfs/dbraw/zinc/60/79/62/1173607962.db2.gz KRXXYGXARCDZOI-ZCFIWIBFSA-N -1 1 296.356 1.019 20 0 CDADMM COC1(Cn2c(C)c(C)nc2-c2nnn[n-]2)CCC1 ZINC001591343710 1173615311 /nfs/dbraw/zinc/61/53/11/1173615311.db2.gz FJUDJFHPZJYSOM-UHFFFAOYSA-N -1 1 262.317 1.249 20 0 CDADMM COC1(Cn2c(C)c(C)nc2-c2nn[n-]n2)CCC1 ZINC001591343710 1173615322 /nfs/dbraw/zinc/61/53/22/1173615322.db2.gz FJUDJFHPZJYSOM-UHFFFAOYSA-N -1 1 262.317 1.249 20 0 CDADMM CO[C@H](CNc1cc(-c2nnn[n-]2)ncn1)C(C)(C)C ZINC001591329698 1173616173 /nfs/dbraw/zinc/61/61/73/1173616173.db2.gz QPEOYJWVMZJAMO-SECBINFHSA-N -1 1 277.332 1.130 20 0 CDADMM CO[C@H](CNc1cc(-c2nn[n-]n2)ncn1)C(C)(C)C ZINC001591329698 1173616176 /nfs/dbraw/zinc/61/61/76/1173616176.db2.gz QPEOYJWVMZJAMO-SECBINFHSA-N -1 1 277.332 1.130 20 0 CDADMM COC1(C)CCN(C(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001591339897 1173618864 /nfs/dbraw/zinc/61/88/64/1173618864.db2.gz WWJKOPWMFHTWTQ-UHFFFAOYSA-N -1 1 291.311 1.101 20 0 CDADMM COC1(C)CCN(C(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001591339897 1173618865 /nfs/dbraw/zinc/61/88/65/1173618865.db2.gz WWJKOPWMFHTWTQ-UHFFFAOYSA-N -1 1 291.311 1.101 20 0 CDADMM CO[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)C12CCC2 ZINC001591350668 1173623128 /nfs/dbraw/zinc/62/31/28/1173623128.db2.gz XPWWNXVUIKBNSP-ZJUUUORDSA-N -1 1 287.327 1.026 20 0 CDADMM CO[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)C12CCC2 ZINC001591350668 1173623133 /nfs/dbraw/zinc/62/31/33/1173623133.db2.gz XPWWNXVUIKBNSP-ZJUUUORDSA-N -1 1 287.327 1.026 20 0 CDADMM CO[C@@H]1CC[C@@H](OC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001591352273 1173625142 /nfs/dbraw/zinc/62/51/42/1173625142.db2.gz WDOYUYWWURWUBD-RKDXNWHRSA-N -1 1 278.268 1.184 20 0 CDADMM COC1CCC(N(C)c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001591351597 1173625397 /nfs/dbraw/zinc/62/53/97/1173625397.db2.gz OOWVXQOHJXJJBK-UHFFFAOYSA-N -1 1 289.343 1.051 20 0 CDADMM COC1CCC(N(C)c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001591351597 1173625402 /nfs/dbraw/zinc/62/54/02/1173625402.db2.gz OOWVXQOHJXJJBK-UHFFFAOYSA-N -1 1 289.343 1.051 20 0 CDADMM CO[C@H]1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001591473798 1173659061 /nfs/dbraw/zinc/65/90/61/1173659061.db2.gz PLQSRJDIMLBVIE-URHBZAFASA-N -1 1 286.748 1.566 20 0 CDADMM CO[C@H]1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001591473798 1173659066 /nfs/dbraw/zinc/65/90/66/1173659066.db2.gz PLQSRJDIMLBVIE-URHBZAFASA-N -1 1 286.748 1.566 20 0 CDADMM COc1ccc(CN(C)c2cccnc2-c2nnn[n-]2)cn1 ZINC001591587753 1173670186 /nfs/dbraw/zinc/67/01/86/1173670186.db2.gz ZEYQQTRHNJHMTM-UHFFFAOYSA-N -1 1 297.322 1.302 20 0 CDADMM COc1ccc(CN(C)c2cccnc2-c2nn[n-]n2)cn1 ZINC001591587753 1173670191 /nfs/dbraw/zinc/67/01/91/1173670191.db2.gz ZEYQQTRHNJHMTM-UHFFFAOYSA-N -1 1 297.322 1.302 20 0 CDADMM COc1ccc2c(c1)CN(c1ncncc1-c1nn[n-]n1)C2 ZINC001591627770 1173676847 /nfs/dbraw/zinc/67/68/47/1173676847.db2.gz ZJCGOOHZTPCGOA-UHFFFAOYSA-N -1 1 295.306 1.186 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C)CCC[C@@H]2C)n1 ZINC001591883757 1173736178 /nfs/dbraw/zinc/73/61/78/1173736178.db2.gz FBQQVUFCTFXCBW-ONGXEEELSA-N -1 1 287.371 1.980 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C)CCC[C@@H]2C)n1 ZINC001591883757 1173736186 /nfs/dbraw/zinc/73/61/86/1173736186.db2.gz FBQQVUFCTFXCBW-ONGXEEELSA-N -1 1 287.371 1.980 20 0 CDADMM Cc1cc(C(=O)Nc2snc(C)c2-c2nn[n-]n2)on1 ZINC001591935357 1173750088 /nfs/dbraw/zinc/75/00/88/1173750088.db2.gz MJWIHZOVYIJLRR-UHFFFAOYSA-N -1 1 291.296 1.180 20 0 CDADMM Cc1cc(N2C[C@H](C)C[C@H](CO)C2)cc(-c2nnn[n-]2)n1 ZINC001591998443 1173767635 /nfs/dbraw/zinc/76/76/35/1173767635.db2.gz HHBJOGBJYQVRRM-KOLCDFICSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(N2C[C@H](C)C[C@H](CO)C2)cc(-c2nn[n-]n2)n1 ZINC001591998443 1173767639 /nfs/dbraw/zinc/76/76/39/1173767639.db2.gz HHBJOGBJYQVRRM-KOLCDFICSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(NCCC(C)(C)CO)cc(-c2nnn[n-]2)n1 ZINC001592046802 1173787278 /nfs/dbraw/zinc/78/72/78/1173787278.db2.gz NHNOATMEZGKDBX-UHFFFAOYSA-N -1 1 276.344 1.391 20 0 CDADMM Cc1cc(NCCC(C)(C)CO)cc(-c2nn[n-]n2)n1 ZINC001592046802 1173787282 /nfs/dbraw/zinc/78/72/82/1173787282.db2.gz NHNOATMEZGKDBX-UHFFFAOYSA-N -1 1 276.344 1.391 20 0 CDADMM Cc1cc(CCNc2cc(C)nc(-c3nnn[n-]3)c2)nn1C ZINC001592051348 1173787672 /nfs/dbraw/zinc/78/76/72/1173787672.db2.gz QQACMJQFZVCQKD-UHFFFAOYSA-N -1 1 298.354 1.267 20 0 CDADMM Cc1cc(CCNc2cc(C)nc(-c3nn[n-]n3)c2)nn1C ZINC001592051348 1173787679 /nfs/dbraw/zinc/78/76/79/1173787679.db2.gz QQACMJQFZVCQKD-UHFFFAOYSA-N -1 1 298.354 1.267 20 0 CDADMM Cc1cc(NCCO[C@@H]2CC2(F)F)cc(-c2nnn[n-]2)n1 ZINC001592050687 1173787845 /nfs/dbraw/zinc/78/78/45/1173787845.db2.gz SVIWTWVNIYLAOV-SNVBAGLBSA-N -1 1 296.281 1.406 20 0 CDADMM Cc1cc(NCCO[C@@H]2CC2(F)F)cc(-c2nn[n-]n2)n1 ZINC001592050687 1173787850 /nfs/dbraw/zinc/78/78/50/1173787850.db2.gz SVIWTWVNIYLAOV-SNVBAGLBSA-N -1 1 296.281 1.406 20 0 CDADMM Cc1ccc(N2CCOC[C@@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001592174805 1173822413 /nfs/dbraw/zinc/82/24/13/1173822413.db2.gz DDLBHIFFZCKNFF-VIFPVBQESA-N -1 1 274.328 1.043 20 0 CDADMM Cc1ccc(N2CCOC[C@@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001592174805 1173822417 /nfs/dbraw/zinc/82/24/17/1173822417.db2.gz DDLBHIFFZCKNFF-VIFPVBQESA-N -1 1 274.328 1.043 20 0 CDADMM Cc1ccc(N2C[C@H]3[C@@H](C2)C3(F)F)c(-c2nnn[n-]2)n1 ZINC001592176112 1173823173 /nfs/dbraw/zinc/82/31/73/1173823173.db2.gz WLCWBPNAWADIFM-OCAPTIKFSA-N -1 1 278.266 1.271 20 0 CDADMM Cc1ccc(N2C[C@H]3[C@@H](C2)C3(F)F)c(-c2nn[n-]n2)n1 ZINC001592176112 1173823178 /nfs/dbraw/zinc/82/31/78/1173823178.db2.gz WLCWBPNAWADIFM-OCAPTIKFSA-N -1 1 278.266 1.271 20 0 CDADMM Cc1ccc(N2CC[C@@]3(CC3(F)F)C2)c(-c2nnn[n-]2)n1 ZINC001592178357 1173825285 /nfs/dbraw/zinc/82/52/85/1173825285.db2.gz WDQYJQNQUFRQIF-GFCCVEGCSA-N -1 1 292.293 1.806 20 0 CDADMM Cc1ccc(N2CC[C@@]3(CC3(F)F)C2)c(-c2nn[n-]n2)n1 ZINC001592178357 1173825290 /nfs/dbraw/zinc/82/52/90/1173825290.db2.gz WDQYJQNQUFRQIF-GFCCVEGCSA-N -1 1 292.293 1.806 20 0 CDADMM Cc1ccc(NC[C@@H]2C[C@@H](C)O[C@@H]2C)nc1-c1nnn[n-]1 ZINC001592183311 1173829605 /nfs/dbraw/zinc/82/96/05/1173829605.db2.gz POIWGALOBCBLDV-MXWKQRLJSA-N -1 1 288.355 1.796 20 0 CDADMM Cc1ccc(NC[C@@H]2C[C@@H](C)O[C@@H]2C)nc1-c1nn[n-]n1 ZINC001592183311 1173829608 /nfs/dbraw/zinc/82/96/08/1173829608.db2.gz POIWGALOBCBLDV-MXWKQRLJSA-N -1 1 288.355 1.796 20 0 CDADMM Cc1ccccc1[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001592251737 1173835243 /nfs/dbraw/zinc/83/52/43/1173835243.db2.gz NGPRVKCPBHRNKX-GFCCVEGCSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1ccccc1[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001592251737 1173835251 /nfs/dbraw/zinc/83/52/51/1173835251.db2.gz NGPRVKCPBHRNKX-GFCCVEGCSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1cccc(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001592230253 1173836061 /nfs/dbraw/zinc/83/60/61/1173836061.db2.gz QMQXJSUZIJOAOV-UHFFFAOYSA-N -1 1 283.295 1.079 20 0 CDADMM Cc1cccc(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001592230253 1173836065 /nfs/dbraw/zinc/83/60/65/1173836065.db2.gz QMQXJSUZIJOAOV-UHFFFAOYSA-N -1 1 283.295 1.079 20 0 CDADMM Cc1ccn(C/C=C\Cl)c(=O)c1-c1nn[n-]n1 ZINC001592266163 1173839244 /nfs/dbraw/zinc/83/92/44/1173839244.db2.gz OMVWAQRHAVTDDI-RQOWECAXSA-N -1 1 251.677 1.089 20 0 CDADMM Cc1ccnc(NC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC001592272766 1173841601 /nfs/dbraw/zinc/84/16/01/1173841601.db2.gz LTNJRBKDYQEPQI-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1ccnc(NC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC001592272766 1173841604 /nfs/dbraw/zinc/84/16/04/1173841604.db2.gz LTNJRBKDYQEPQI-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1cnc(COc2cnc(-c3nn[n-]n3)nc2)s1 ZINC001592294872 1173849265 /nfs/dbraw/zinc/84/92/65/1173849265.db2.gz KQZBXQUEOPOACE-UHFFFAOYSA-N -1 1 275.297 1.001 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N(C)Cc2nccs2)n1 ZINC001592338529 1173859680 /nfs/dbraw/zinc/85/96/80/1173859680.db2.gz FNGBAVNVUHEIAZ-UHFFFAOYSA-N -1 1 288.340 1.058 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N(C)Cc2nccs2)n1 ZINC001592338529 1173859684 /nfs/dbraw/zinc/85/96/84/1173859684.db2.gz FNGBAVNVUHEIAZ-UHFFFAOYSA-N -1 1 288.340 1.058 20 0 CDADMM Cc1nc(NC2CCSCC2)cc(-c2nnn[n-]2)n1 ZINC001592383219 1173877341 /nfs/dbraw/zinc/87/73/41/1173877341.db2.gz SUGDEFFCMRGEPX-UHFFFAOYSA-N -1 1 277.357 1.273 20 0 CDADMM Cc1nc(NC2CCSCC2)cc(-c2nn[n-]n2)n1 ZINC001592383219 1173877343 /nfs/dbraw/zinc/87/73/43/1173877343.db2.gz SUGDEFFCMRGEPX-UHFFFAOYSA-N -1 1 277.357 1.273 20 0 CDADMM Cc1ncccc1CCNc1cc(-c2nnn[n-]2)ncn1 ZINC001592417167 1173885635 /nfs/dbraw/zinc/88/56/35/1173885635.db2.gz BLOAPSRLTUCAHX-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1ncccc1CCNc1cc(-c2nn[n-]n2)ncn1 ZINC001592417167 1173885640 /nfs/dbraw/zinc/88/56/40/1173885640.db2.gz BLOAPSRLTUCAHX-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1ncsc1CNc1ncncc1-c1nn[n-]n1 ZINC001592425472 1173887915 /nfs/dbraw/zinc/88/79/15/1173887915.db2.gz HSVKRLCDGOJLQZ-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM Cc1nnc(SCc2nc(-c3nnn[n-]3)cs2)o1 ZINC001592449798 1173894662 /nfs/dbraw/zinc/89/46/62/1173894662.db2.gz KIZZVMKZZULVST-UHFFFAOYSA-N -1 1 281.326 1.307 20 0 CDADMM Cc1nnc(SCc2nc(-c3nn[n-]n3)cs2)o1 ZINC001592449798 1173894668 /nfs/dbraw/zinc/89/46/68/1173894668.db2.gz KIZZVMKZZULVST-UHFFFAOYSA-N -1 1 281.326 1.307 20 0 CDADMM Cc1nocc1CNCc1ccc(-c2nnn[n-]2)o1 ZINC001592465111 1173896171 /nfs/dbraw/zinc/89/61/71/1173896171.db2.gz APDYOYMGXOIFJX-UHFFFAOYSA-N -1 1 260.257 1.046 20 0 CDADMM Cc1occc1CN(C)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001592511096 1173907879 /nfs/dbraw/zinc/90/78/79/1173907879.db2.gz CVWPVMQGRWQWQU-UHFFFAOYSA-N -1 1 298.306 1.435 20 0 CDADMM Cc1occc1CN(C)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001592511096 1173907883 /nfs/dbraw/zinc/90/78/83/1173907883.db2.gz CVWPVMQGRWQWQU-UHFFFAOYSA-N -1 1 298.306 1.435 20 0 CDADMM Cn1nccc1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001592607973 1173928208 /nfs/dbraw/zinc/92/82/08/1173928208.db2.gz XIXMLAXJSYAEOT-UHFFFAOYSA-N -1 1 296.747 1.322 20 0 CDADMM Cn1nccc1CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001592607973 1173928215 /nfs/dbraw/zinc/92/82/15/1173928215.db2.gz XIXMLAXJSYAEOT-UHFFFAOYSA-N -1 1 296.747 1.322 20 0 CDADMM FC(F)C(F)(F)COc1cccnc1-c1nnn[n-]1 ZINC001592625567 1173933752 /nfs/dbraw/zinc/93/37/52/1173933752.db2.gz XGAXVBFWVUGGKY-UHFFFAOYSA-N -1 1 277.181 1.541 20 0 CDADMM FC(F)C(F)(F)COc1cccnc1-c1nn[n-]n1 ZINC001592625567 1173933756 /nfs/dbraw/zinc/93/37/56/1173933756.db2.gz XGAXVBFWVUGGKY-UHFFFAOYSA-N -1 1 277.181 1.541 20 0 CDADMM FC(F)[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001592623225 1173933911 /nfs/dbraw/zinc/93/39/11/1173933911.db2.gz DGDZEMVCTINBKO-SSDOTTSWSA-N -1 1 271.296 1.768 20 0 CDADMM FC1(F)CCCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001592628037 1173935836 /nfs/dbraw/zinc/93/58/36/1173935836.db2.gz MFPOPCLATQVQAU-UHFFFAOYSA-N -1 1 281.270 1.282 20 0 CDADMM FC1(F)CCCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001592628037 1173935843 /nfs/dbraw/zinc/93/58/43/1173935843.db2.gz MFPOPCLATQVQAU-UHFFFAOYSA-N -1 1 281.270 1.282 20 0 CDADMM Fc1cccc(N2CCCCCO2)c1-c1nn[n-]n1 ZINC001592657585 1173955989 /nfs/dbraw/zinc/95/59/89/1173955989.db2.gz NTVFRDLWAVSVNC-UHFFFAOYSA-N -1 1 263.276 1.928 20 0 CDADMM N#CN(Cc1nc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC001592680725 1173968690 /nfs/dbraw/zinc/96/86/90/1173968690.db2.gz GKNKQJHJUGSSNH-UHFFFAOYSA-N -1 1 283.320 1.811 20 0 CDADMM O=C(C=Cc1ccccc1F)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592800181 1173992858 /nfs/dbraw/zinc/99/28/58/1173992858.db2.gz QPDHRHNOEMXPNJ-AATRIKPKSA-N -1 1 299.269 1.381 20 0 CDADMM O=C(C=Cc1ccccc1F)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592800181 1173992860 /nfs/dbraw/zinc/99/28/60/1173992860.db2.gz QPDHRHNOEMXPNJ-AATRIKPKSA-N -1 1 299.269 1.381 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCC2(CCC2)C1 ZINC001592913854 1174003170 /nfs/dbraw/zinc/00/31/70/1174003170.db2.gz PRSAJLOXTOYZAJ-UHFFFAOYSA-N -1 1 298.350 1.207 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCC2(CCC2)C1 ZINC001592913854 1174003181 /nfs/dbraw/zinc/00/31/81/1174003181.db2.gz PRSAJLOXTOYZAJ-UHFFFAOYSA-N -1 1 298.350 1.207 20 0 CDADMM O=C(NC[C@@H]1CC=CCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593029576 1174015574 /nfs/dbraw/zinc/01/55/74/1174015574.db2.gz JNCZHBKJGPFDFR-SNVBAGLBSA-N -1 1 284.323 1.348 20 0 CDADMM O=C(NC[C@@H]1CC=CCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593029576 1174015583 /nfs/dbraw/zinc/01/55/83/1174015583.db2.gz JNCZHBKJGPFDFR-SNVBAGLBSA-N -1 1 284.323 1.348 20 0 CDADMM O=C(NC[C@H]1CC=CCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593031295 1174016017 /nfs/dbraw/zinc/01/60/17/1174016017.db2.gz VOFQSQXMWBNWDH-JTQLQIEISA-N -1 1 284.323 1.348 20 0 CDADMM O=C(NC[C@H]1CC=CCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593031295 1174016020 /nfs/dbraw/zinc/01/60/20/1174016020.db2.gz VOFQSQXMWBNWDH-JTQLQIEISA-N -1 1 284.323 1.348 20 0 CDADMM O=C(NCC[C@@H]1C[C@H]1C1CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593100542 1174021833 /nfs/dbraw/zinc/02/18/33/1174021833.db2.gz NBJZIXMHCVFVEL-PWSUYJOCSA-N -1 1 298.350 1.428 20 0 CDADMM O=C(NCC[C@@H]1C[C@H]1C1CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593100542 1174021839 /nfs/dbraw/zinc/02/18/39/1174021839.db2.gz NBJZIXMHCVFVEL-PWSUYJOCSA-N -1 1 298.350 1.428 20 0 CDADMM O=C(NOC1CCC1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593166248 1174026231 /nfs/dbraw/zinc/02/62/31/1174026231.db2.gz DXPVIIVWTDPIRL-UHFFFAOYSA-N -1 1 298.306 1.562 20 0 CDADMM O=C(Nc1ccsn1)c1coc(-c2nn[n-]n2)c1 ZINC001593256613 1174044036 /nfs/dbraw/zinc/04/40/36/1174044036.db2.gz DVMVVMUZZYXRMJ-UHFFFAOYSA-N -1 1 262.254 1.169 20 0 CDADMM O=C(Nc1ccsn1)c1coc(-c2nnn[n-]2)c1 ZINC001593256613 1174044029 /nfs/dbraw/zinc/04/40/29/1174044029.db2.gz DVMVVMUZZYXRMJ-UHFFFAOYSA-N -1 1 262.254 1.169 20 0 CDADMM Oc1cccc2c1CC[C@H]2Nc1cc(-c2nnn[n-]2)ncn1 ZINC001593540071 1174111584 /nfs/dbraw/zinc/11/15/84/1174111584.db2.gz NKLYKZZPRMVVHF-SNVBAGLBSA-N -1 1 295.306 1.462 20 0 CDADMM Oc1cccc2c1CC[C@H]2Nc1cc(-c2nn[n-]n2)ncn1 ZINC001593540071 1174111585 /nfs/dbraw/zinc/11/15/85/1174111585.db2.gz NKLYKZZPRMVVHF-SNVBAGLBSA-N -1 1 295.306 1.462 20 0 CDADMM c1nc2c(s1)CN(c1cccc(-c3nnn[n-]3)n1)CC2 ZINC001593551790 1174123785 /nfs/dbraw/zinc/12/37/85/1174123785.db2.gz PVNWKRDQXTUIAC-UHFFFAOYSA-N -1 1 285.336 1.281 20 0 CDADMM c1nc2c(s1)CN(c1cccc(-c3nn[n-]n3)n1)CC2 ZINC001593551790 1174123793 /nfs/dbraw/zinc/12/37/93/1174123793.db2.gz PVNWKRDQXTUIAC-UHFFFAOYSA-N -1 1 285.336 1.281 20 0 CDADMM c1cc(N2CCC(C3CC3)CC2)nnc1-c1nnn[n-]1 ZINC001593557709 1174131082 /nfs/dbraw/zinc/13/10/82/1174131082.db2.gz SEKVKIKZGIQCOO-UHFFFAOYSA-N -1 1 271.328 1.283 20 0 CDADMM c1cc(N2CCC(C3CC3)CC2)nnc1-c1nn[n-]n1 ZINC001593557709 1174131088 /nfs/dbraw/zinc/13/10/88/1174131088.db2.gz SEKVKIKZGIQCOO-UHFFFAOYSA-N -1 1 271.328 1.283 20 0 CDADMM c1cc(NC[C@H]2CCC3(CCC3)O2)nc(-c2nnn[n-]2)c1 ZINC001593558453 1174132530 /nfs/dbraw/zinc/13/25/30/1174132530.db2.gz NQGNUGUTHZLOFG-SNVBAGLBSA-N -1 1 286.339 1.775 20 0 CDADMM c1cc(NC[C@H]2CCC3(CCC3)O2)nc(-c2nn[n-]n2)c1 ZINC001593558453 1174132534 /nfs/dbraw/zinc/13/25/34/1174132534.db2.gz NQGNUGUTHZLOFG-SNVBAGLBSA-N -1 1 286.339 1.775 20 0 CDADMM c1cc(NCCCC2CCC2)nc(-c2nn[n-]n2)n1 ZINC001593560605 1174136230 /nfs/dbraw/zinc/13/62/30/1174136230.db2.gz IIXYFHPYZSQBMN-UHFFFAOYSA-N -1 1 259.317 1.071 20 0 CDADMM c1ccc(C2CN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001593573518 1174146278 /nfs/dbraw/zinc/14/62/78/1174146278.db2.gz RZFZXCGTMXTVJF-UHFFFAOYSA-N -1 1 279.307 1.261 20 0 CDADMM c1ccc(C2CN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001593573518 1174146284 /nfs/dbraw/zinc/14/62/84/1174146284.db2.gz RZFZXCGTMXTVJF-UHFFFAOYSA-N -1 1 279.307 1.261 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OC[C@@H]2CC[C@H](C3CC3)O2)c1 ZINC001593583601 1174151296 /nfs/dbraw/zinc/15/12/96/1174151296.db2.gz AKABQQUPQGFJDV-WDEREUQCSA-N -1 1 287.323 1.598 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OC[C@@H]2CC[C@H](C3CC3)O2)c1 ZINC001593583601 1174151300 /nfs/dbraw/zinc/15/13/00/1174151300.db2.gz AKABQQUPQGFJDV-WDEREUQCSA-N -1 1 287.323 1.598 20 0 CDADMM c1cncc([C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)c1 ZINC001593587742 1174154888 /nfs/dbraw/zinc/15/48/88/1174154888.db2.gz PCVCUVIKFAMELO-ZDUSSCGKSA-N -1 1 294.322 1.615 20 0 CDADMM c1cncc([C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)c1 ZINC001593587742 1174154890 /nfs/dbraw/zinc/15/48/90/1174154890.db2.gz PCVCUVIKFAMELO-ZDUSSCGKSA-N -1 1 294.322 1.615 20 0 CDADMM c1nc(-c2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)cs1 ZINC001593590475 1174157789 /nfs/dbraw/zinc/15/77/89/1174157789.db2.gz UTTFQLOUJFRTDK-UHFFFAOYSA-N -1 1 298.291 1.435 20 0 CDADMM c1nc(-c2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)cs1 ZINC001593590475 1174157792 /nfs/dbraw/zinc/15/77/92/1174157792.db2.gz UTTFQLOUJFRTDK-UHFFFAOYSA-N -1 1 298.291 1.435 20 0 CDADMM Cc1cc(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)oc1C(=O)[O-] ZINC001600084963 1174356067 /nfs/dbraw/zinc/35/60/67/1174356067.db2.gz SEKBEWSMBWVTLC-MNOVXSKESA-N -1 1 292.335 1.595 20 0 CDADMM Cc1cc(CN)oc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001600192050 1174395749 /nfs/dbraw/zinc/39/57/49/1174395749.db2.gz SLYHWCLZHLLOJX-SNVBAGLBSA-N -1 1 282.340 1.523 20 0 CDADMM Cc1cc(NC(=O)CN(C)CC(C)(C)C)c(C(=O)[O-])[nH]1 ZINC001600255252 1174424347 /nfs/dbraw/zinc/42/43/47/1174424347.db2.gz MXCUSMFWOKSSDD-UHFFFAOYSA-N -1 1 281.356 1.938 20 0 CDADMM Cc1ccc(NC[C@@H]2[C@@H](C(=O)[O-])C2(F)F)c(N(C)C)n1 ZINC001600460005 1174482545 /nfs/dbraw/zinc/48/25/45/1174482545.db2.gz XXTYPIBYXYAGOE-SCZZXKLOSA-N -1 1 285.294 1.834 20 0 CDADMM Cc1nc(CN[C@@H](CC(F)F)C(=O)[O-])cs1 ZINC001600701859 1174572661 /nfs/dbraw/zinc/57/26/61/1174572661.db2.gz BEXDQMOKRDUQCB-ZETCQYMHSA-N -1 1 250.270 1.650 20 0 CDADMM Cc1oc(CN2CCc3cc[nH]c(=O)c3C2)cc1C(=O)[O-] ZINC001600845571 1174638903 /nfs/dbraw/zinc/63/89/03/1174638903.db2.gz DQGLPFIWCCGDJY-UHFFFAOYSA-N -1 1 288.303 1.945 20 0 CDADMM NC(=O)[C@H](NC1CC(CC(=O)[O-])C1)c1ccc(F)cc1 ZINC001601138550 1174760389 /nfs/dbraw/zinc/76/03/89/1174760389.db2.gz CUGVCGZIIYORRX-YDWSVEDYSA-N -1 1 280.299 1.195 20 0 CDADMM NCc1nccnc1N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001601191914 1174784633 /nfs/dbraw/zinc/78/46/33/1174784633.db2.gz IAVRMCAZGVCVDG-GFCCVEGCSA-N -1 1 284.319 1.124 20 0 CDADMM NCc1nccnc1NCCOc1ccc(C(=O)[O-])cc1 ZINC001601192611 1174785339 /nfs/dbraw/zinc/78/53/39/1174785339.db2.gz ZPZPDHQNWOOJSE-UHFFFAOYSA-N -1 1 288.307 1.124 20 0 CDADMM O=C([O-])[C@H](C[C@@H]1CCCO1)NCC(=O)Nc1ccccc1 ZINC001601324571 1174833375 /nfs/dbraw/zinc/83/33/75/1174833375.db2.gz BQJHGVWOVNCFTP-STQMWFEESA-N -1 1 292.335 1.237 20 0 CDADMM O=C([O-])[C@H](NCc1cnn(CCF)c1)c1cccc(O)c1 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O=C(c1ncccc1[O-])N1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000294942433 371108254 /nfs/dbraw/zinc/10/82/54/371108254.db2.gz RRFZQKVOIIQKQL-UKRRQHHQSA-N -1 1 274.320 1.571 20 0 CDADMM Cc1noc([C@@H]2CCCN2C(=O)c2ncc(C)cc2[O-])n1 ZINC000331782134 204155552 /nfs/dbraw/zinc/15/55/52/204155552.db2.gz FGTIGDRVTDZQMV-JTQLQIEISA-N -1 1 288.307 1.764 20 0 CDADMM Cc1ccc(CCN=c2ccc(C(=O)N(C)C)n[n-]2)o1 ZINC000569209796 371242242 /nfs/dbraw/zinc/24/22/42/371242242.db2.gz BSHIQCNDMLNKGX-UHFFFAOYSA-N -1 1 274.324 1.156 20 0 CDADMM CC[C@H](C)[C@@H](CNC(=O)c1ncccc1[O-])OC ZINC000294305847 371359513 /nfs/dbraw/zinc/35/95/13/371359513.db2.gz VLAOIIXBGWLRDU-GXSJLCMTSA-N -1 1 252.314 1.578 20 0 CDADMM C[C@@H](NC(=O)c1ncccc1[O-])C(=O)NCc1ccccc1 ZINC000171270479 371726896 /nfs/dbraw/zinc/72/68/96/371726896.db2.gz FFRHXHUXAWVIGE-LLVKDONJSA-N -1 1 299.330 1.222 20 0 CDADMM O=C(Nc1cccc2c1OCC(=O)N2)c1ccccc1[O-] ZINC000378026865 371799974 /nfs/dbraw/zinc/79/99/74/371799974.db2.gz PFWXNHDVGCUOIT-UHFFFAOYSA-N -1 1 284.271 1.975 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CDADMM O=S(=O)(Cc1ccccc1)c1n[n-]c(C2CC2)n1 ZINC000299244208 372497391 /nfs/dbraw/zinc/49/73/91/372497391.db2.gz MAUJQDFQMSBMJC-UHFFFAOYSA-N -1 1 263.322 1.656 20 0 CDADMM Cc1cnc(SCCCc2cn[nH]c2)[n-]c1=O ZINC000578643984 372531567 /nfs/dbraw/zinc/53/15/67/372531567.db2.gz IXQZYRSXQOLLTR-UHFFFAOYSA-N -1 1 250.327 1.939 20 0 CDADMM O=C(c1cncc([O-])c1)N1CCC(CCCO)CC1 ZINC000354609533 372571282 /nfs/dbraw/zinc/57/12/82/372571282.db2.gz DPEBDTKQDNQHCD-UHFFFAOYSA-N -1 1 264.325 1.412 20 0 CDADMM Cc1o[n-]c(=N)c1S(=O)(=O)N(C)[C@@H](C)C(C)(C)C ZINC000580741582 372675290 /nfs/dbraw/zinc/67/52/90/372675290.db2.gz WPZHRNGHIIMDDU-QMMMGPOBSA-N -1 1 275.374 1.451 20 0 CDADMM C[C@H](Nc1nc2[nH][n-]cc-2c(=O)n1)C1CCCCC1 ZINC000333413374 205299736 /nfs/dbraw/zinc/29/97/36/205299736.db2.gz HPVYKTLMIVKGSV-QMMMGPOBSA-N -1 1 261.329 1.813 20 0 CDADMM O=C([O-])C[C@@H]1CN(C[C@H]2CCCCC2(F)F)CCO1 ZINC000381590971 372990194 /nfs/dbraw/zinc/99/01/94/372990194.db2.gz DNCKJSDQDZTKBV-GHMZBOCLSA-N -1 1 277.311 1.987 20 0 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599528370 /nfs/dbraw/zinc/52/83/70/599528370.db2.gz UGPDRTNSLFZSLT-UHFFFAOYSA-N -1 1 275.659 1.497 20 0 CDADMM O=C([O-])c1cnc(N[C@@H]2CCCc3cn[nH]c32)cn1 ZINC001602531688 1175275371 /nfs/dbraw/zinc/27/53/71/1175275371.db2.gz USVXJLXKOVPJQC-MRVPVSSYSA-N -1 1 259.269 1.387 20 0 CDADMM Cc1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c(C)s1 ZINC000036972399 599777556 /nfs/dbraw/zinc/77/75/56/599777556.db2.gz NAFYGJJWGRDWHY-NSHDSACASA-N -1 1 293.348 1.514 20 0 CDADMM CC(C)(NCC(=O)Nc1ccc2c(c1)CCC2)C(=O)[O-] ZINC000087624581 599926565 /nfs/dbraw/zinc/92/65/65/599926565.db2.gz IWBLJNJIAUECJE-UHFFFAOYSA-N -1 1 276.336 1.567 20 0 CDADMM Cn1c(Cl)cnc1CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405381432 600290433 /nfs/dbraw/zinc/29/04/33/600290433.db2.gz HANBLHOAPWYFSF-SECBINFHSA-N -1 1 283.759 1.760 20 0 CDADMM Cc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000822238543 607446612 /nfs/dbraw/zinc/44/66/12/607446612.db2.gz LSVGXSWRPJKXBQ-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC000822238543 607446613 /nfs/dbraw/zinc/44/66/13/607446613.db2.gz LSVGXSWRPJKXBQ-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM O=C([O-])c1csc(CN2CCc3n[nH]nc3C2)c1 ZINC001602560359 1175297224 /nfs/dbraw/zinc/29/72/24/1175297224.db2.gz LNWFNERCBQIRJB-UHFFFAOYSA-N -1 1 264.310 1.123 20 0 CDADMM CSc1n[nH]c(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC000832798802 600917349 /nfs/dbraw/zinc/91/73/49/600917349.db2.gz MLPLGCJMPVWFQM-BQBZGAKWSA-N -1 1 284.341 1.356 20 0 CDADMM Cc1noc(C)c1CN1CCSC[C@@H]1CC(=O)[O-] ZINC000091131341 601024838 /nfs/dbraw/zinc/02/48/38/601024838.db2.gz XRQNVAXEZRMHJC-JTQLQIEISA-N -1 1 270.354 1.684 20 0 CDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H](C)C(F)(F)F)CC1 ZINC000827357345 601099274 /nfs/dbraw/zinc/09/92/74/601099274.db2.gz WTNXZFZBKWRAEQ-BDAKNGLRSA-N -1 1 296.289 1.192 20 0 CDADMM C/C(=C\CN(C)Cc1ccc([S@](C)=O)cc1)C(=O)[O-] ZINC000825729719 601376755 /nfs/dbraw/zinc/37/67/55/601376755.db2.gz LRVNEGLUBLXCDB-BLRBJFNZSA-N -1 1 281.377 1.887 20 0 CDADMM C[C@@H]1CN(Cc2nc(-c3cccs3)no2)C[C@@H]1C(=O)[O-] ZINC000111254526 601504003 /nfs/dbraw/zinc/50/40/03/601504003.db2.gz PXFFJGRHZVQBLW-BDAKNGLRSA-N -1 1 293.348 1.951 20 0 CDADMM C[C@H]1CN(CC(=O)Nc2ccccc2C(=O)[O-])C[C@@H]1C ZINC000828439570 601538541 /nfs/dbraw/zinc/53/85/41/601538541.db2.gz ISRLYQFANCQPHG-QWRGUYRKSA-N -1 1 276.336 1.911 20 0 CDADMM C[C@@H]1CN2CCCC[C@H]2CN1C(=O)NCC(C)(C)C(=O)[O-] ZINC000252698101 601686492 /nfs/dbraw/zinc/68/64/92/601686492.db2.gz LARAAKADIWZOPD-NEPJUHHUSA-N -1 1 297.399 1.365 20 0 CDADMM CC[C@H]1CC(=O)N(CN(C[C@@H](C)C(=O)[O-])C2CC2)C1 ZINC000829074331 601811512 /nfs/dbraw/zinc/81/15/12/601811512.db2.gz CUXLHNZVINZDAK-MNOVXSKESA-N -1 1 268.357 1.388 20 0 CDADMM CC[C@H](C)[C@@H](NCC(=O)N(C)C1CCCCC1)C(=O)[O-] ZINC000828735575 601879810 /nfs/dbraw/zinc/87/98/10/601879810.db2.gz CEJGRQSZHDDVBR-SMDDNHRTSA-N -1 1 284.400 1.866 20 0 CDADMM COC(=O)[C@H](c1ccccc1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000831084439 601914830 /nfs/dbraw/zinc/91/48/30/601914830.db2.gz KRYWEXQVVJRNBR-SWLSCSKDSA-N -1 1 277.320 1.697 20 0 CDADMM C[C@@]1(C(=O)[O-])CCN([C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000828020785 601929570 /nfs/dbraw/zinc/92/95/70/601929570.db2.gz WHKLQPMYICJPRA-BXUZGUMPSA-N -1 1 280.299 1.149 20 0 CDADMM C[C@@]1(C(=O)[O-])CCN(Cc2nnc3n2CCCCC3)C1 ZINC000828028774 601937396 /nfs/dbraw/zinc/93/73/96/601937396.db2.gz BGHWMDGJIOBXHK-CQSZACIVSA-N -1 1 278.356 1.301 20 0 CDADMM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000828617803 602020542 /nfs/dbraw/zinc/02/05/42/602020542.db2.gz LPWIWZGXYVJCRV-LKFCYVNXSA-N -1 1 279.340 1.589 20 0 CDADMM C[C@H](CC(=O)[O-])C(=O)NCCN1CCc2ccccc2C1 ZINC000827293622 602088485 /nfs/dbraw/zinc/08/84/85/602088485.db2.gz ZNYZMBNAXOFLCV-GFCCVEGCSA-N -1 1 290.363 1.272 20 0 CDADMM CN(Cc1ccccc1)C(=O)CN[C@H](C(=O)[O-])C(C)(C)C ZINC000830853168 602224899 /nfs/dbraw/zinc/22/48/99/602224899.db2.gz YSIKAIOXIQBCHR-CQSZACIVSA-N -1 1 292.379 1.734 20 0 CDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC000828221570 602315027 /nfs/dbraw/zinc/31/50/27/602315027.db2.gz RXXQQUXPGMKGAL-MCIONIFRSA-N -1 1 296.411 1.820 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCCc3cn[nH]c32)C1 ZINC000833183086 604425442 /nfs/dbraw/zinc/42/54/42/604425442.db2.gz OVNAKUXNIZHZSI-CKYFFXLPSA-N -1 1 291.351 1.794 20 0 CDADMM CC(=O)Nc1ccc(CN2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000833399540 604681937 /nfs/dbraw/zinc/68/19/37/604681937.db2.gz GENBKHLGHSSBSS-CQSZACIVSA-N -1 1 280.299 1.644 20 0 CDADMM Cc1cc(C[C@@H](C)NC(=O)NCC(C)(C)C(=O)[O-])n[nH]1 ZINC000832883483 604686845 /nfs/dbraw/zinc/68/68/45/604686845.db2.gz MYWZJVWUOXEQHZ-MRVPVSSYSA-N -1 1 282.344 1.059 20 0 CDADMM CC(C)N(C)CC(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC000833496124 604868767 /nfs/dbraw/zinc/86/87/67/604868767.db2.gz SOQPRCCRJYKMFC-UHFFFAOYSA-N -1 1 290.323 1.540 20 0 CDADMM Cc1cc(C[C@H](C)NC(=O)c2cccc(C(=O)[O-])n2)n[nH]1 ZINC000832883362 604913876 /nfs/dbraw/zinc/91/38/76/604913876.db2.gz LXFDFDFZRJOYDM-QMMMGPOBSA-N -1 1 288.307 1.172 20 0 CDADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ccon2)C1 ZINC000720388445 604933666 /nfs/dbraw/zinc/93/36/66/604933666.db2.gz CGAMSAADJQSSMH-SNVBAGLBSA-N -1 1 252.314 1.997 20 0 CDADMM C/C(=C\CN1CCCN(CC(F)F)CC1)C(=O)[O-] ZINC000833384625 605018659 /nfs/dbraw/zinc/01/86/59/605018659.db2.gz SLRMEFGWNPBUSS-XCVCLJGOSA-N -1 1 262.300 1.290 20 0 CDADMM CC1(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)CC1 ZINC000833553818 605059327 /nfs/dbraw/zinc/05/93/27/605059327.db2.gz NHQVRJHBYOQRGH-UHFFFAOYSA-N -1 1 259.265 2.000 20 0 CDADMM CC(C)[C@@H](C)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833468749 605101391 /nfs/dbraw/zinc/10/13/91/605101391.db2.gz KCBWDQSRWCABCC-VXGBXAGGSA-N -1 1 270.373 1.286 20 0 CDADMM CC(C)(C)OC(=O)[C@@H]1CCN(Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC000833432761 605109174 /nfs/dbraw/zinc/10/91/74/605109174.db2.gz RJJJXHJRTXYZKS-SNVBAGLBSA-N -1 1 294.351 1.877 20 0 CDADMM CC(=O)N1CCN(C[C@@H]2CC(C(=O)[O-])=C(C)O2)C(C)(C)C1 ZINC000833390839 605384481 /nfs/dbraw/zinc/38/44/81/605384481.db2.gz JZLLNHZUILBWTQ-LBPRGKRZSA-N -1 1 296.367 1.077 20 0 CDADMM CC[C@H](C)[C@H](NC(=O)CN1C[C@H](C)CC(C)(C)C1)C(=O)[O-] ZINC000833636867 605404511 /nfs/dbraw/zinc/40/45/11/605404511.db2.gz AXTKWIHOVWZVMT-DYEKYZERSA-N -1 1 298.427 1.970 20 0 CDADMM O=C([O-])c1ccc(F)c(CN2CCc3cn[nH]c3C2)c1 ZINC000833780809 605841921 /nfs/dbraw/zinc/84/19/21/605841921.db2.gz FOWMSODHQQSIIR-UHFFFAOYSA-N -1 1 275.283 1.805 20 0 CDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CCOC1 ZINC000820512639 606181697 /nfs/dbraw/zinc/18/16/97/606181697.db2.gz MGUBYZFFKKLNHZ-YUMQZZPRSA-N -1 1 294.336 1.510 20 0 CDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CCOC1 ZINC000820512639 606181698 /nfs/dbraw/zinc/18/16/98/606181698.db2.gz MGUBYZFFKKLNHZ-YUMQZZPRSA-N -1 1 294.336 1.510 20 0 CDADMM Cc1nsc(N(C)C(=O)CC(C)C)c1-c1nnn[n-]1 ZINC000822530553 606237110 /nfs/dbraw/zinc/23/71/10/606237110.db2.gz HCWZBICUFNURLR-UHFFFAOYSA-N -1 1 280.357 1.641 20 0 CDADMM Cc1nsc(N(C)C(=O)CC(C)C)c1-c1nn[n-]n1 ZINC000822530553 606237111 /nfs/dbraw/zinc/23/71/11/606237111.db2.gz HCWZBICUFNURLR-UHFFFAOYSA-N -1 1 280.357 1.641 20 0 CDADMM C[C@@H]1CCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820716815 606417363 /nfs/dbraw/zinc/41/73/63/606417363.db2.gz LNCNJVLBHCXAES-SSDOTTSWSA-N -1 1 264.720 1.904 20 0 CDADMM C[C@@H]1CCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820716815 606417362 /nfs/dbraw/zinc/41/73/62/606417362.db2.gz LNCNJVLBHCXAES-SSDOTTSWSA-N -1 1 264.720 1.904 20 0 CDADMM C[C@H]1CCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820726934 606460051 /nfs/dbraw/zinc/46/00/51/606460051.db2.gz DIOJYKBJYCLTFC-LURJTMIESA-N -1 1 250.693 1.514 20 0 CDADMM C[C@H]1CCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820726934 606460052 /nfs/dbraw/zinc/46/00/52/606460052.db2.gz DIOJYKBJYCLTFC-LURJTMIESA-N -1 1 250.693 1.514 20 0 CDADMM Cc1cnc(NC(=O)c2ccc(-c3nnn[n-]3)s2)s1 ZINC000822395171 606490238 /nfs/dbraw/zinc/49/02/38/606490238.db2.gz UPXLSDXEXLUWER-UHFFFAOYSA-N -1 1 292.349 1.945 20 0 CDADMM Cc1cnc(NC(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC000822395171 606490240 /nfs/dbraw/zinc/49/02/40/606490240.db2.gz UPXLSDXEXLUWER-UHFFFAOYSA-N -1 1 292.349 1.945 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C[C@@H](C)O1 ZINC000820743312 606516773 /nfs/dbraw/zinc/51/67/73/606516773.db2.gz SYGUEOCGWYCRJR-HTQZYQBOSA-N -1 1 293.352 1.178 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C[C@@H](C)O1 ZINC000820743312 606516775 /nfs/dbraw/zinc/51/67/75/606516775.db2.gz SYGUEOCGWYCRJR-HTQZYQBOSA-N -1 1 293.352 1.178 20 0 CDADMM CC[C@H](C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820859842 606518291 /nfs/dbraw/zinc/51/82/91/606518291.db2.gz GSQOUFYWBBHSBS-QMMMGPOBSA-N -1 1 261.285 1.351 20 0 CDADMM CC[C@H](C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820859842 606518292 /nfs/dbraw/zinc/51/82/92/606518292.db2.gz GSQOUFYWBBHSBS-QMMMGPOBSA-N -1 1 261.285 1.351 20 0 CDADMM C[C@H]1COC[C@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820803614 606571010 /nfs/dbraw/zinc/57/10/10/606571010.db2.gz DFRIDONVTLENJX-YUMQZZPRSA-N -1 1 293.352 1.178 20 0 CDADMM C[C@H]1COC[C@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820803614 606571012 /nfs/dbraw/zinc/57/10/12/606571012.db2.gz DFRIDONVTLENJX-YUMQZZPRSA-N -1 1 293.352 1.178 20 0 CDADMM O=C(OC[C@@H]1CCSC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823400555 606802163 /nfs/dbraw/zinc/80/21/63/606802163.db2.gz GOIQZNQRBBIMCH-QMMMGPOBSA-N -1 1 291.336 1.172 20 0 CDADMM O=C(OC[C@@H]1CCSC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823400555 606802165 /nfs/dbraw/zinc/80/21/65/606802165.db2.gz GOIQZNQRBBIMCH-QMMMGPOBSA-N -1 1 291.336 1.172 20 0 CDADMM Fc1cccc(OC[C@@H]2CCCOC2)c1-c1nn[n-]n1 ZINC000826377910 607864850 /nfs/dbraw/zinc/86/48/50/607864850.db2.gz LUDQMRMRKHAKMJ-SECBINFHSA-N -1 1 278.287 1.811 20 0 CDADMM Fc1cccc(OC[C@@H]2CCCOC2)c1-c1nnn[n-]1 ZINC000826377910 607864849 /nfs/dbraw/zinc/86/48/49/607864849.db2.gz LUDQMRMRKHAKMJ-SECBINFHSA-N -1 1 278.287 1.811 20 0 CDADMM CCCN(CC(F)F)c1cccc(-c2nnn[n-]2)n1 ZINC000825307868 607898184 /nfs/dbraw/zinc/89/81/84/607898184.db2.gz PFBOUOFHJFTBGK-UHFFFAOYSA-N -1 1 268.271 1.743 20 0 CDADMM CCCN(CC(F)F)c1cccc(-c2nn[n-]n2)n1 ZINC000825307868 607898185 /nfs/dbraw/zinc/89/81/85/607898185.db2.gz PFBOUOFHJFTBGK-UHFFFAOYSA-N -1 1 268.271 1.743 20 0 CDADMM CC[C@H]1C[C@@H](C)CN1c1cccc(-c2nnn[n-]2)n1 ZINC000825181917 607900861 /nfs/dbraw/zinc/90/08/61/607900861.db2.gz GJUMKHOVBZTCKP-ZJUUUORDSA-N -1 1 258.329 1.887 20 0 CDADMM CC[C@H]1C[C@@H](C)CN1c1cccc(-c2nn[n-]n2)n1 ZINC000825181917 607900862 /nfs/dbraw/zinc/90/08/62/607900862.db2.gz GJUMKHOVBZTCKP-ZJUUUORDSA-N -1 1 258.329 1.887 20 0 CDADMM Fc1ccc(Oc2cccc(-c3nnn[n-]3)n2)cn1 ZINC000826375923 607903452 /nfs/dbraw/zinc/90/34/52/607903452.db2.gz HLYRAWLODCTZCJ-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM Fc1ccc(Oc2cccc(-c3nn[n-]n3)n2)cn1 ZINC000826375923 607903453 /nfs/dbraw/zinc/90/34/53/607903453.db2.gz HLYRAWLODCTZCJ-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM CCC[C@@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC000825260070 607993011 /nfs/dbraw/zinc/99/30/11/607993011.db2.gz MPIWXDQHQUTDCK-GFCCVEGCSA-N -1 1 288.355 1.263 20 0 CDADMM C[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC000824962222 608303217 /nfs/dbraw/zinc/30/32/17/608303217.db2.gz QLVCTCXYJMEWIJ-ZJUUUORDSA-N -1 1 258.329 1.744 20 0 CDADMM C[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC000824962222 608303219 /nfs/dbraw/zinc/30/32/19/608303219.db2.gz QLVCTCXYJMEWIJ-ZJUUUORDSA-N -1 1 258.329 1.744 20 0 CDADMM C[C@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824936294 608404298 /nfs/dbraw/zinc/40/42/98/608404298.db2.gz FQKQSUNCFLZNNJ-UWVGGRQHSA-N -1 1 273.344 1.895 20 0 CDADMM C[C@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824936294 608404299 /nfs/dbraw/zinc/40/42/99/608404299.db2.gz FQKQSUNCFLZNNJ-UWVGGRQHSA-N -1 1 273.344 1.895 20 0 CDADMM C1=CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000823868305 608404532 /nfs/dbraw/zinc/40/45/32/608404532.db2.gz VDXZMZHPILSHFA-VIFPVBQESA-N -1 1 257.301 1.425 20 0 CDADMM C1=CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000823868305 608404534 /nfs/dbraw/zinc/40/45/34/608404534.db2.gz VDXZMZHPILSHFA-VIFPVBQESA-N -1 1 257.301 1.425 20 0 CDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC000824658275 608414732 /nfs/dbraw/zinc/41/47/32/608414732.db2.gz VJOJOGJAABLHAC-VIFPVBQESA-N -1 1 267.296 1.830 20 0 CDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC000824658275 608414735 /nfs/dbraw/zinc/41/47/35/608414735.db2.gz VJOJOGJAABLHAC-VIFPVBQESA-N -1 1 267.296 1.830 20 0 CDADMM C[C@H]1CC(Nc2ccc(-c3nnn[n-]3)nn2)C[C@H](C)C1 ZINC000824874649 608421068 /nfs/dbraw/zinc/42/10/68/608421068.db2.gz FHVLIPXFAYTWFR-RKDXNWHRSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@H]1CC(Nc2ccc(-c3nn[n-]n3)nn2)C[C@H](C)C1 ZINC000824874649 608421070 /nfs/dbraw/zinc/42/10/70/608421070.db2.gz FHVLIPXFAYTWFR-RKDXNWHRSA-N -1 1 273.344 1.893 20 0 CDADMM CCC(CC)(CCO)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000825089604 608427476 /nfs/dbraw/zinc/42/74/76/608427476.db2.gz IYRICZGXICNMKX-UHFFFAOYSA-N -1 1 291.359 1.257 20 0 CDADMM CCC(CC)(CCO)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000825089604 608427479 /nfs/dbraw/zinc/42/74/79/608427479.db2.gz IYRICZGXICNMKX-UHFFFAOYSA-N -1 1 291.359 1.257 20 0 CDADMM CN(Cc1ccc(-c2nn[n-]n2)s1)CC(F)F ZINC000825961259 608636134 /nfs/dbraw/zinc/63/61/34/608636134.db2.gz DFDSPEIURBAKRI-UHFFFAOYSA-N -1 1 259.285 1.625 20 0 CDADMM C[C@H]1CCCC[C@@H]1OCCn1ccnc1-c1nnn[n-]1 ZINC000824936081 608893773 /nfs/dbraw/zinc/89/37/73/608893773.db2.gz DRVXSYKMHDYBPE-QWRGUYRKSA-N -1 1 276.344 1.659 20 0 CDADMM C[C@H]1CCCC[C@@H]1OCCn1ccnc1-c1nn[n-]n1 ZINC000824936081 608893774 /nfs/dbraw/zinc/89/37/74/608893774.db2.gz DRVXSYKMHDYBPE-QWRGUYRKSA-N -1 1 276.344 1.659 20 0 CDADMM Fc1ccc(CCn2ccnc2-c2nnn[n-]2)cc1F ZINC000826374118 608894673 /nfs/dbraw/zinc/89/46/73/608894673.db2.gz LVPQTNMSCAGWJY-UHFFFAOYSA-N -1 1 276.250 1.584 20 0 CDADMM Fc1ccc(CCn2ccnc2-c2nn[n-]n2)cc1F ZINC000826374118 608894677 /nfs/dbraw/zinc/89/46/77/608894677.db2.gz LVPQTNMSCAGWJY-UHFFFAOYSA-N -1 1 276.250 1.584 20 0 CDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CC=CCC1 ZINC000823874799 609429475 /nfs/dbraw/zinc/42/94/75/609429475.db2.gz YYZPEVQOJWGANJ-UHFFFAOYSA-N -1 1 279.307 1.576 20 0 CDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CC=CCC1 ZINC000823874799 609429478 /nfs/dbraw/zinc/42/94/78/609429478.db2.gz YYZPEVQOJWGANJ-UHFFFAOYSA-N -1 1 279.307 1.576 20 0 CDADMM CC(C)(C)N1C[C@H](C(=O)[N-]OC/C=C\Cl)CC1=O ZINC000812404486 617304072 /nfs/dbraw/zinc/30/40/72/617304072.db2.gz DWBTVVGQXPIZGJ-XRVBUDJMSA-N -1 1 274.748 1.434 20 0 CDADMM C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000866853708 617395677 /nfs/dbraw/zinc/39/56/77/617395677.db2.gz ADSIMUDLMLOUQD-JGVFFNPUSA-N -1 1 294.323 1.045 20 0 CDADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC/C=C/Cl ZINC000891205702 617380910 /nfs/dbraw/zinc/38/09/10/617380910.db2.gz JVKDGKPQSKCGPQ-ONEGZZNKSA-N -1 1 273.745 1.695 20 0 CDADMM CC[C@H](C)[C@@H](O)CNc1cc(=O)[n-]c(COC)n1 ZINC000892502572 617437436 /nfs/dbraw/zinc/43/74/36/617437436.db2.gz TZTSVPKSTOMBOY-IUCAKERBSA-N -1 1 255.318 1.148 20 0 CDADMM CC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)c1ncccc1[O-] ZINC000953496329 613832663 /nfs/dbraw/zinc/83/26/63/613832663.db2.gz WHOHOECLXFTJIT-ZYHUDNBSSA-N -1 1 291.351 1.307 20 0 CDADMM CC(C)C(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000979664533 613938916 /nfs/dbraw/zinc/93/89/16/613938916.db2.gz MCOIAXNUNMKOFW-XYPYZODXSA-N -1 1 291.351 1.068 20 0 CDADMM CC(C)(C)C(=O)N1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000949538667 614330740 /nfs/dbraw/zinc/33/07/40/614330740.db2.gz OROLPVCMMIWPEJ-SNVBAGLBSA-N -1 1 291.351 1.164 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cccnc1F ZINC000891613844 617504665 /nfs/dbraw/zinc/50/46/65/617504665.db2.gz IXKKEYKBIMOPKN-UHFFFAOYSA-N -1 1 288.282 1.847 20 0 CDADMM O=C(C=C[C@H]1CCOC1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891615865 617505067 /nfs/dbraw/zinc/50/50/67/617505067.db2.gz VYAVNWUQJHCDKP-OMMCCPJFSA-N -1 1 289.335 1.592 20 0 CDADMM C[C@]1(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CCCO1 ZINC000891623263 617509339 /nfs/dbraw/zinc/50/93/39/617509339.db2.gz UUXWJUSUVRWORD-CQSZACIVSA-N -1 1 277.324 1.569 20 0 CDADMM COCc1nc(NC[C@](C)(O)c2cccs2)cc(=O)[n-]1 ZINC000892640431 617554360 /nfs/dbraw/zinc/55/43/60/617554360.db2.gz KLSLYRYMWARRKM-ZDUSSCGKSA-N -1 1 295.364 1.710 20 0 CDADMM Cc1cc(C(=O)N(C)c2nn[n-]n2)nn1C1CCCCC1 ZINC000892955176 617978740 /nfs/dbraw/zinc/97/87/40/617978740.db2.gz XODUJNSSLFCSRY-UHFFFAOYSA-N -1 1 289.343 1.486 20 0 CDADMM COCc1nc(N2CCO[C@@H](C(C)(C)C)C2)cc(=O)[n-]1 ZINC000893581487 617615258 /nfs/dbraw/zinc/61/52/58/617615258.db2.gz XXPIAIWYZKQJHX-SNVBAGLBSA-N -1 1 281.356 1.580 20 0 CDADMM CCc1cc(CNC(=O)c2cc(C)cc(C(=O)[O-])c2)n[nH]1 ZINC000840942324 617667373 /nfs/dbraw/zinc/66/73/73/617667373.db2.gz AGKWCCVJZFGELA-UHFFFAOYSA-N -1 1 287.319 1.909 20 0 CDADMM COCc1nc(NCCC(=O)N2CCCCC2)cc(=O)[n-]1 ZINC000891893571 617725000 /nfs/dbraw/zinc/72/50/00/617725000.db2.gz RGDRNIQQESTIJB-UHFFFAOYSA-N -1 1 294.355 1.143 20 0 CDADMM C[C@H](CSCc1ccccc1)C(=O)N(C)c1nn[n-]n1 ZINC000892954234 617975353 /nfs/dbraw/zinc/97/53/53/617975353.db2.gz FNDUJXTWRVUZIJ-SNVBAGLBSA-N -1 1 291.380 1.732 20 0 CDADMM COCc1nc(NC[C@@H]2COc3ccccc32)cc(=O)[n-]1 ZINC000893896819 618166884 /nfs/dbraw/zinc/16/68/84/618166884.db2.gz ZQMWYJDODHWJLC-SNVBAGLBSA-N -1 1 287.319 1.917 20 0 CDADMM COCc1nc(N2CCOC[C@@H](C3CCC3)C2)cc(=O)[n-]1 ZINC000893963266 618210365 /nfs/dbraw/zinc/21/03/65/618210365.db2.gz CWGOBJCUWXXMQF-LBPRGKRZSA-N -1 1 293.367 1.582 20 0 CDADMM Cc1n[nH]cc1CN(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000901832591 618281114 /nfs/dbraw/zinc/28/11/14/618281114.db2.gz OYPZSAASVINJSM-UHFFFAOYSA-N -1 1 289.335 1.814 20 0 CDADMM Cc1ccc(CN[C@@H](C(=O)[O-])[C@@H]2CCCOC2)o1 ZINC000901835206 618284498 /nfs/dbraw/zinc/28/44/98/618284498.db2.gz ZIABFRDTCXXPGI-ZYHUDNBSSA-N -1 1 253.298 1.557 20 0 CDADMM C[C@@H]1CN(Cc2cccc3n[nH]cc32)C[C@@H](C(=O)[O-])O1 ZINC000901934070 618372200 /nfs/dbraw/zinc/37/22/00/618372200.db2.gz FNBRNCIDESQXPP-RNCFNFMXSA-N -1 1 275.308 1.237 20 0 CDADMM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000901997843 618441547 /nfs/dbraw/zinc/44/15/47/618441547.db2.gz FCIFJXZDXBWRBF-HBNTYKKESA-N -1 1 277.324 1.369 20 0 CDADMM O=C([O-])C1(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCCCCC1 ZINC000901997301 618441571 /nfs/dbraw/zinc/44/15/71/618441571.db2.gz BEZZGAORHGYPDT-GHMZBOCLSA-N -1 1 291.351 1.807 20 0 CDADMM Cc1nc2cccc(C(=O)NC[C@@H](C(=O)[O-])C(C)C)c2[nH]1 ZINC000902026189 618468866 /nfs/dbraw/zinc/46/88/66/618468866.db2.gz JSXYNWRVEYYNPS-LLVKDONJSA-N -1 1 289.335 1.958 20 0 CDADMM O=C([O-])C[C@@H]1COCCN1Cc1ccc2cc[nH]c2c1 ZINC000902003069 618477989 /nfs/dbraw/zinc/47/79/89/618477989.db2.gz WJIGVDSYBVYART-CYBMUJFWSA-N -1 1 274.320 1.843 20 0 CDADMM CC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000902019500 618496918 /nfs/dbraw/zinc/49/69/18/618496918.db2.gz HRWVELXPUZXERW-DVVUODLYSA-N -1 1 279.340 1.397 20 0 CDADMM CC(C)(CNC(=O)c1cc(F)cc2nc[nH]c21)CC(=O)[O-] ZINC000910822457 618510554 /nfs/dbraw/zinc/51/05/54/618510554.db2.gz AZCJOHBQHKHQQC-UHFFFAOYSA-N -1 1 293.298 1.933 20 0 CDADMM Cn1cc(CN[C@@H]2CCCc3occc32)c(C(=O)[O-])n1 ZINC000902133233 618580730 /nfs/dbraw/zinc/58/07/30/618580730.db2.gz VXNRVOQNJBRBDG-LLVKDONJSA-N -1 1 275.308 1.879 20 0 CDADMM CC[C@H](C)C[C@H](NC(=O)C1(N(C)C)CC1)C(=O)[O-] ZINC000910913220 618590368 /nfs/dbraw/zinc/59/03/68/618590368.db2.gz XHWOCPXACKMGGB-UWVGGRQHSA-N -1 1 256.346 1.086 20 0 CDADMM CN1CCCC[C@H]1C(=O)NC1(CC(=O)[O-])CCCC1 ZINC000902771260 625355033 /nfs/dbraw/zinc/35/50/33/625355033.db2.gz YVTFLAVNEOYRHV-NSHDSACASA-N -1 1 268.357 1.374 20 0 CDADMM CCCCOCCOC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000796343755 620295241 /nfs/dbraw/zinc/29/52/41/620295241.db2.gz HTCAEYMDYXDNMV-UHFFFAOYSA-N -1 1 269.297 1.775 20 0 CDADMM O=C([O-])[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1c1ccccc1 ZINC000909625326 620517866 /nfs/dbraw/zinc/51/78/66/620517866.db2.gz XATVNWBSNQZFTJ-NWDGAFQWSA-N -1 1 285.303 1.350 20 0 CDADMM O=C(c1c([O-])cnc2c(F)cccc21)N1CC[C@H]1CO 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Cc1cccc(CO[N-]C(=O)[C@H]2CCCOC2)n1 ZINC000898935058 621973752 /nfs/dbraw/zinc/97/37/52/621973752.db2.gz DKFNGZOWJCYIKO-NSHDSACASA-N -1 1 250.298 1.364 20 0 CDADMM C[C@H]1C(=O)N([N-]C(=O)c2ccc(F)cc2Cl)C(=O)N1C ZINC000899025166 622019555 /nfs/dbraw/zinc/01/95/55/622019555.db2.gz GMWCMCZYOIRCQH-LURJTMIESA-N -1 1 299.689 1.406 20 0 CDADMM O=C(N[C@@H](CO)C[C@@H]1CCCO1)c1ccc(Cl)cc1[O-] ZINC000899307497 622164153 /nfs/dbraw/zinc/16/41/53/622164153.db2.gz HLXQMGXJQAECEO-MNOVXSKESA-N -1 1 299.754 1.705 20 0 CDADMM Cc1[n-]n(-c2ccc(-n3cccn3)nn2)c(=O)c1C(C)C ZINC000899349232 622202406 /nfs/dbraw/zinc/20/24/06/622202406.db2.gz YYXUTEVLFUOODL-CYBMUJFWSA-N -1 1 284.323 1.657 20 0 CDADMM CCn1cc(C=Cc2ncc(OC)c(=O)[n-]2)c(C)n1 ZINC000899374182 622218794 /nfs/dbraw/zinc/21/87/94/622218794.db2.gz MUFVKKLHXNUYMS-WAYWQWQTSA-N -1 1 260.297 1.886 20 0 CDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CCC2(C)CC2)CC1 ZINC000899538567 622302326 /nfs/dbraw/zinc/30/23/26/622302326.db2.gz UGBINAUSCULKAE-LBPRGKRZSA-N -1 1 282.384 1.574 20 0 CDADMM CC[C@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)CCO1 ZINC000900107688 622717933 /nfs/dbraw/zinc/71/79/33/622717933.db2.gz UPWZHIXEELQYTC-JTQLQIEISA-N -1 1 277.324 1.311 20 0 CDADMM O=C(NC[C@@H]1CCCOC1)c1cnc(C2CC2)[n-]c1=O ZINC000900297193 622868155 /nfs/dbraw/zinc/86/81/55/622868155.db2.gz ABYIJXGQMBRKSM-VIFPVBQESA-N -1 1 277.324 1.216 20 0 CDADMM CCO[C@H]1CCCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000900371146 622940313 /nfs/dbraw/zinc/94/03/13/622940313.db2.gz TURNEDSQSBIJCQ-NSHDSACASA-N -1 1 291.351 1.701 20 0 CDADMM COC[C@H](C)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900387957 623023183 /nfs/dbraw/zinc/02/31/83/623023183.db2.gz IFYNWQXJJWQEPL-MRVPVSSYSA-N -1 1 265.313 1.072 20 0 CDADMM COCC[C@@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900482252 623127674 /nfs/dbraw/zinc/12/76/74/623127674.db2.gz MSMLSMDXLWWMQB-MRVPVSSYSA-N -1 1 265.313 1.214 20 0 CDADMM CCOC(=O)[C@@H]1CCCN(CC(=O)[N-]OC2CCCC2)C1 ZINC000901328077 624133942 /nfs/dbraw/zinc/13/39/42/624133942.db2.gz AYPGOJVGQQXFIA-GFCCVEGCSA-N -1 1 298.383 1.252 20 0 CDADMM CCc1cnccc1CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901360957 624198246 /nfs/dbraw/zinc/19/82/46/624198246.db2.gz MEMANTSORKQLJQ-UHFFFAOYSA-N -1 1 298.346 1.947 20 0 CDADMM CC(C)C[C@H](NC(=O)c1cccc2nc[nH]c21)C(=O)[O-] ZINC000901458017 624276195 /nfs/dbraw/zinc/27/61/95/624276195.db2.gz VUACYBYNGXVJQF-NSHDSACASA-N -1 1 275.308 1.792 20 0 CDADMM COc1cccc(OC)c1C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000901487701 624288728 /nfs/dbraw/zinc/28/87/28/624288728.db2.gz AFWMBWTWRXADNE-JTQLQIEISA-N -1 1 265.309 1.610 20 0 CDADMM Cc1ncc(CN[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)cn1 ZINC000901527987 624318693 /nfs/dbraw/zinc/31/86/93/624318693.db2.gz GCFALHHURZXQBI-OAHLLOKOSA-N -1 1 299.330 1.635 20 0 CDADMM CN1CCCC[C@H]1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000901573977 624355905 /nfs/dbraw/zinc/35/59/05/624355905.db2.gz CWOXOHPQAVFQFF-STQMWFEESA-N -1 1 282.384 1.717 20 0 CDADMM COCCn1c(=O)cc([O-])nc1S[C@@H](C)C(=O)C1CC1 ZINC000901651957 624393236 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/nfs/dbraw/zinc/12/00/76/1163120076.db2.gz VGDWTPSRPQMPOJ-UHFFFAOYSA-N -1 1 277.332 1.275 20 0 CDADMM CCCN(C(=O)C1CC1)c1snc(C)c1-c1nnn[n-]1 ZINC001604195425 1163121683 /nfs/dbraw/zinc/12/16/83/1163121683.db2.gz ZESVJEZQHQVYSD-UHFFFAOYSA-N -1 1 292.368 1.785 20 0 CDADMM CCCN(C(=O)C1CC1)c1snc(C)c1-c1nn[n-]n1 ZINC001604195425 1163121690 /nfs/dbraw/zinc/12/16/90/1163121690.db2.gz ZESVJEZQHQVYSD-UHFFFAOYSA-N -1 1 292.368 1.785 20 0 CDADMM CCC[N@@H+](CC(=O)[O-])Cc1ccccc1-c1nn[nH]n1 ZINC001604200600 1163122906 /nfs/dbraw/zinc/12/29/06/1163122906.db2.gz PBJJCHLFEWFKCY-UHFFFAOYSA-N -1 1 275.312 1.163 20 0 CDADMM CC(C)CN1C[C@@H](C(=O)[N-]OC(C)(C)C)CC1=O ZINC000149041788 1160526894 /nfs/dbraw/zinc/52/68/94/1160526894.db2.gz HWASXZBVAQHNLX-JTQLQIEISA-N -1 1 256.346 1.337 20 0 CDADMM CCC[C@@H]1C[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001604238759 1163132567 /nfs/dbraw/zinc/13/25/67/1163132567.db2.gz XYPVBNWECMQJDV-PSASIEDQSA-N -1 1 287.327 1.572 20 0 CDADMM CCC[C@@H]1C[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001604238759 1163132576 /nfs/dbraw/zinc/13/25/76/1163132576.db2.gz XYPVBNWECMQJDV-PSASIEDQSA-N -1 1 287.327 1.572 20 0 CDADMM CCN(C(=O)c1cccc(-c2nnn[n-]2)n1)[C@@H](C)C(C)C ZINC001604265796 1163138064 /nfs/dbraw/zinc/13/80/64/1163138064.db2.gz RFQYNOUAHZFTRO-JTQLQIEISA-N -1 1 288.355 1.768 20 0 CDADMM CCN(C(=O)c1cccc(-c2nn[n-]n2)n1)[C@@H](C)C(C)C ZINC001604265796 1163138067 /nfs/dbraw/zinc/13/80/67/1163138067.db2.gz RFQYNOUAHZFTRO-JTQLQIEISA-N -1 1 288.355 1.768 20 0 CDADMM COCCn1c(=O)cc([O-])nc1SCCCCCF ZINC000789574909 1162095016 /nfs/dbraw/zinc/09/50/16/1162095016.db2.gz HCCHHYVEZLFIKV-UHFFFAOYSA-N -1 1 290.360 1.827 20 0 CDADMM CCC[C@H](NC(=O)CC1CC(OCC)C1)c1nn[n-]n1 ZINC000789806095 1162108179 /nfs/dbraw/zinc/10/81/79/1162108179.db2.gz LNVUVUMIWXLLEC-ILDUYXDCSA-N -1 1 281.360 1.362 20 0 CDADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@](O)(C(F)F)C1 ZINC001604460779 1163191473 /nfs/dbraw/zinc/19/14/73/1163191473.db2.gz 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20 0 CDADMM CN(Cc1cccc(F)c1)c1cncc(-c2nnn[n-]2)n1 ZINC001604815758 1163335064 /nfs/dbraw/zinc/33/50/64/1163335064.db2.gz MTHZVAZPDWKROY-UHFFFAOYSA-N -1 1 285.286 1.432 20 0 CDADMM CN(Cc1cccc(F)c1)c1cncc(-c2nn[n-]n2)n1 ZINC001604815758 1163335067 /nfs/dbraw/zinc/33/50/67/1163335067.db2.gz MTHZVAZPDWKROY-UHFFFAOYSA-N -1 1 285.286 1.432 20 0 CDADMM CN(Cc1cccn1C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604822008 1163342053 /nfs/dbraw/zinc/34/20/53/1163342053.db2.gz STHKLEBCOBBJGY-UHFFFAOYSA-N -1 1 286.295 1.070 20 0 CDADMM CN(Cc1cccn1C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001604822008 1163342060 /nfs/dbraw/zinc/34/20/60/1163342060.db2.gz STHKLEBCOBBJGY-UHFFFAOYSA-N -1 1 286.295 1.070 20 0 CDADMM COC1(c2noc(-c3ccc(-c4nn[n-]n4)o3)n2)CCC1 ZINC001605020367 1163419549 /nfs/dbraw/zinc/41/95/49/1163419549.db2.gz HBPGVRZOELYUAD-UHFFFAOYSA-N -1 1 288.267 1.535 20 0 CDADMM CO[C@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)C12CCC2 ZINC001605023325 1163419677 /nfs/dbraw/zinc/41/96/77/1163419677.db2.gz 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ZINC001605387297 1163545046 /nfs/dbraw/zinc/54/50/46/1163545046.db2.gz JRFZXJHXQPWDDL-UHFFFAOYSA-N -1 1 277.313 1.517 20 0 CDADMM CSc1ccc(CNc2n[nH]cc2-c2nn[n-]n2)o1 ZINC001605387297 1163545048 /nfs/dbraw/zinc/54/50/48/1163545048.db2.gz JRFZXJHXQPWDDL-UHFFFAOYSA-N -1 1 277.313 1.517 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]([C@H](C)O)C2)c1 ZINC001605560989 1163610819 /nfs/dbraw/zinc/61/08/19/1163610819.db2.gz NJPNHAPXNMJUTA-WDEREUQCSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]([C@H](C)O)C2)c1 ZINC001605560989 1163610827 /nfs/dbraw/zinc/61/08/27/1163610827.db2.gz NJPNHAPXNMJUTA-WDEREUQCSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)Cc2ccncc2)n1 ZINC001605568843 1163613311 /nfs/dbraw/zinc/61/33/11/1163613311.db2.gz UODINGNJDBNGKT-VIFPVBQESA-N -1 1 296.338 1.403 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)Cc2ccncc2)n1 ZINC001605568843 1163613315 /nfs/dbraw/zinc/61/33/15/1163613315.db2.gz UODINGNJDBNGKT-VIFPVBQESA-N -1 1 296.338 1.403 20 0 CDADMM Cc1cc2n[nH]cc2cc1Nc1ncncc1-c1nn[n-]n1 ZINC001605755551 1163660641 /nfs/dbraw/zinc/66/06/41/1163660641.db2.gz MDZYXSKDUHLFIS-UHFFFAOYSA-N -1 1 293.294 1.585 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCC[C@@H]1CCCOC1 ZINC001605804418 1163676924 /nfs/dbraw/zinc/67/69/24/1163676924.db2.gz KYLJYGMWBPWPMH-NSHDSACASA-N -1 1 288.355 1.799 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001605805580 1163677674 /nfs/dbraw/zinc/67/76/74/1163677674.db2.gz XSOINJKOUMQMMX-IEBDPFPHSA-N -1 1 272.312 1.302 20 0 CDADMM Cc1ccc(CNc2cc(-c3nnn[n-]3)nc(C)n2)cc1 ZINC001605856704 1163693039 /nfs/dbraw/zinc/69/30/39/1163693039.db2.gz TYZJKAWGYNCQMI-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1ccc(CNc2cc(-c3nn[n-]n3)nc(C)n2)cc1 ZINC001605856704 1163693043 /nfs/dbraw/zinc/69/30/43/1163693043.db2.gz TYZJKAWGYNCQMI-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM CCc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@H](O)[C@@H]1C ZINC001605883472 1163705966 /nfs/dbraw/zinc/70/59/66/1163705966.db2.gz XFBMNJCIVROMAE-WPRPVWTQSA-N -1 1 253.298 1.495 20 0 CDADMM Cc1cccc(CNCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001605914581 1163712959 /nfs/dbraw/zinc/71/29/59/1163712959.db2.gz PDAYCUFOSYUMHX-UHFFFAOYSA-N -1 1 287.352 1.316 20 0 CDADMM Cc1cccc(CNCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001605914581 1163712966 /nfs/dbraw/zinc/71/29/66/1163712966.db2.gz PDAYCUFOSYUMHX-UHFFFAOYSA-N -1 1 287.352 1.316 20 0 CDADMM CCn1cccc(CN[C@H](C(=O)[O-])c2cccnc2)c1=O ZINC001605927342 1163716542 /nfs/dbraw/zinc/71/65/42/1163716542.db2.gz HGZMSVNSBHGHAP-ZDUSSCGKSA-N -1 1 287.319 1.179 20 0 CDADMM Cc1cccc2c1CCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001605929543 1163717913 /nfs/dbraw/zinc/71/79/13/1163717913.db2.gz GNSWLFYHSPRRGP-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM Cc1cccc2c1CCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001605929543 1163717918 /nfs/dbraw/zinc/71/79/18/1163717918.db2.gz GNSWLFYHSPRRGP-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM CN(C)C1(C(=O)Nc2ccc(C(=O)[O-])s2)CCC1 ZINC001606010744 1163742271 /nfs/dbraw/zinc/74/22/71/1163742271.db2.gz BBHUPGDXCDYYHA-UHFFFAOYSA-N -1 1 268.338 1.869 20 0 CDADMM Cc1[nH]nc(NCc2ccoc2C)c1-c1nnn[n-]1 ZINC001606013615 1163743185 /nfs/dbraw/zinc/74/31/85/1163743185.db2.gz FRVPJENVYHSFCQ-UHFFFAOYSA-N -1 1 259.273 1.412 20 0 CDADMM Cc1[nH]nc(NCc2ccoc2C)c1-c1nn[n-]n1 ZINC001606013615 1163743193 /nfs/dbraw/zinc/74/31/93/1163743193.db2.gz FRVPJENVYHSFCQ-UHFFFAOYSA-N -1 1 259.273 1.412 20 0 CDADMM Cc1[nH]nc(NC(=O)C2=CC[C@@H](C)CC2)c1-c1nn[n-]n1 ZINC001606013697 1163743509 /nfs/dbraw/zinc/74/35/09/1163743509.db2.gz VXJURQRNQWXECD-SSDOTTSWSA-N -1 1 287.327 1.583 20 0 CDADMM CN(C)Cc1ccc(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)cn1 ZINC001606033800 1163752936 /nfs/dbraw/zinc/75/29/36/1163752936.db2.gz LVOKSOORODFUJW-BJHJDKERSA-N -1 1 291.351 1.078 20 0 CDADMM Cc1nc(NC[C@@H]2CCC[C@H]3C[C@H]32)cc(-c2nnn[n-]2)n1 ZINC001606069325 1163764284 /nfs/dbraw/zinc/76/42/84/1163764284.db2.gz DECKJQVCSKDLJE-GARJFASQSA-N -1 1 285.355 1.813 20 0 CDADMM Cc1nc(NC[C@@H]2CCC[C@H]3C[C@H]32)cc(-c2nn[n-]n2)n1 ZINC001606069325 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O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@@H]2CCC[C@@H]21 ZINC001607017576 1164061659 /nfs/dbraw/zinc/06/16/59/1164061659.db2.gz XUFYTRDLBPEDTG-IUCAKERBSA-N -1 1 273.296 1.474 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1ccc(Cl)nc1 ZINC001607091470 1164077835 /nfs/dbraw/zinc/07/78/35/1164077835.db2.gz OMUKYPYQNDVJBI-UHFFFAOYSA-N -1 1 288.698 1.125 20 0 CDADMM c1ccc(C[C@H]2C[C@H]2Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001607129614 1164110562 /nfs/dbraw/zinc/11/05/62/1164110562.db2.gz MRSQPYAQQUPZFO-NWDGAFQWSA-N -1 1 293.334 1.122 20 0 CDADMM c1ncc(N2CC[C@H]2C2CCCC2)nc1-c1nnn[n-]1 ZINC001607138860 1164119767 /nfs/dbraw/zinc/11/97/67/1164119767.db2.gz MTISYTNBJAJCJL-NSHDSACASA-N -1 1 271.328 1.426 20 0 CDADMM c1ncc(N2CC[C@H]2C2CCCC2)nc1-c1nn[n-]n1 ZINC001607138860 1164119772 /nfs/dbraw/zinc/11/97/72/1164119772.db2.gz MTISYTNBJAJCJL-NSHDSACASA-N -1 1 271.328 1.426 20 0 CDADMM C[C@@H](NC(=O)C[N@@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)c1ccccc1 ZINC001607421398 1164174800 /nfs/dbraw/zinc/17/48/00/1164174800.db2.gz 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ZINC001590742453 1173504264 /nfs/dbraw/zinc/50/42/64/1173504264.db2.gz MVLCZOFYADUZTG-UHFFFAOYSA-N -1 1 281.316 1.234 20 0 CDADMM CCc1cccc(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)c1 ZINC001590895057 1173535985 /nfs/dbraw/zinc/53/59/85/1173535985.db2.gz XETACFYAUKQPEP-UHFFFAOYSA-N -1 1 295.346 1.948 20 0 CDADMM CCc1ccccc1CC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590896018 1173536685 /nfs/dbraw/zinc/53/66/85/1173536685.db2.gz DISQKKVTLJFZLK-UHFFFAOYSA-N -1 1 297.322 1.333 20 0 CDADMM CCc1ccccc1CC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590896018 1173536688 /nfs/dbraw/zinc/53/66/88/1173536688.db2.gz DISQKKVTLJFZLK-UHFFFAOYSA-N -1 1 297.322 1.333 20 0 CDADMM CCc1ccccc1Cn1cccc(-c2nn[n-]n2)c1=O ZINC001590897606 1173536995 /nfs/dbraw/zinc/53/69/95/1173536995.db2.gz JIPIJKVDTKEDED-UHFFFAOYSA-N -1 1 281.319 1.639 20 0 CDADMM CCc1nnc(COc2cccnc2-c2nnn[n-]2)s1 ZINC001590930703 1173545775 /nfs/dbraw/zinc/54/57/75/1173545775.db2.gz LDRZPGQDZQSDGR-UHFFFAOYSA-N -1 1 289.324 1.255 20 0 CDADMM CCc1nnc(COc2cccnc2-c2nn[n-]n2)s1 ZINC001590930703 1173545783 /nfs/dbraw/zinc/54/57/83/1173545783.db2.gz LDRZPGQDZQSDGR-UHFFFAOYSA-N -1 1 289.324 1.255 20 0 CDADMM CCn1cc(Nc2nc(Cl)c(-c3nnn[n-]3)s2)cn1 ZINC001590955178 1173551162 /nfs/dbraw/zinc/55/11/62/1173551162.db2.gz RTSWXTYOFGJHCE-UHFFFAOYSA-N -1 1 296.747 1.937 20 0 CDADMM CCn1cc(Nc2nc(Cl)c(-c3nn[n-]n3)s2)cn1 ZINC001590955178 1173551165 /nfs/dbraw/zinc/55/11/65/1173551165.db2.gz RTSWXTYOFGJHCE-UHFFFAOYSA-N -1 1 296.747 1.937 20 0 CDADMM CCn1ccc(CN(C)c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001590959100 1173551204 /nfs/dbraw/zinc/55/12/04/1173551204.db2.gz UUJWACQDNSKVMU-UHFFFAOYSA-N -1 1 284.327 1.115 20 0 CDADMM CCn1nc(C)cc1-c1cnc(-c2nnn[n-]2)c(C)c1 ZINC001590966206 1173553914 /nfs/dbraw/zinc/55/39/14/1173553914.db2.gz ZXERNHCPWVAXNH-UHFFFAOYSA-N -1 1 269.312 1.762 20 0 CDADMM CCn1nc(C)cc1-c1cnc(-c2nn[n-]n2)c(C)c1 ZINC001590966206 1173553920 /nfs/dbraw/zinc/55/39/20/1173553920.db2.gz ZXERNHCPWVAXNH-UHFFFAOYSA-N -1 1 269.312 1.762 20 0 CDADMM CN(CCOC(C)(C)C)Cc1nc(-c2nnn[n-]2)cs1 ZINC001591108235 1173570492 /nfs/dbraw/zinc/57/04/92/1173570492.db2.gz IAGGOEXFRFMSSE-UHFFFAOYSA-N -1 1 296.400 1.570 20 0 CDADMM CN(CCOC(C)(C)C)Cc1nc(-c2nn[n-]n2)cs1 ZINC001591108235 1173570498 /nfs/dbraw/zinc/57/04/98/1173570498.db2.gz IAGGOEXFRFMSSE-UHFFFAOYSA-N -1 1 296.400 1.570 20 0 CDADMM COC1(CNc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001591343464 1173619954 /nfs/dbraw/zinc/61/99/54/1173619954.db2.gz WECOPFOGBKMEBQ-UHFFFAOYSA-N -1 1 275.316 1.028 20 0 CDADMM COC1(CNc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001591343464 1173619950 /nfs/dbraw/zinc/61/99/50/1173619950.db2.gz WECOPFOGBKMEBQ-UHFFFAOYSA-N -1 1 275.316 1.028 20 0 CDADMM CO[C@@]1(C)C[C@H]1Nc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001591474133 1173658364 /nfs/dbraw/zinc/65/83/64/1173658364.db2.gz YJRHDFWMGUCIIL-PELKAZGASA-N -1 1 260.301 1.159 20 0 CDADMM CO[C@@]1(C)C[C@H]1Nc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001591474133 1173658368 /nfs/dbraw/zinc/65/83/68/1173658368.db2.gz YJRHDFWMGUCIIL-PELKAZGASA-N -1 1 260.301 1.159 20 0 CDADMM COc1ccc(CCNc2ncncc2-c2nn[n-]n2)cc1 ZINC001591586439 1173671158 /nfs/dbraw/zinc/67/11/58/1173671158.db2.gz RLUAUWLBHLXJTA-UHFFFAOYSA-N -1 1 297.322 1.320 20 0 CDADMM COc1ccc(Cn2cccc(-c3nn[n-]n3)c2=O)cc1C ZINC001591606081 1173674054 /nfs/dbraw/zinc/67/40/54/1173674054.db2.gz UWGQLBCUQGMEOF-UHFFFAOYSA-N -1 1 297.318 1.394 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]2C2CC2)c1 ZINC001591888596 1173738747 /nfs/dbraw/zinc/73/87/47/1173738747.db2.gz LYJCRPALAQGYGH-GFCCVEGCSA-N -1 1 270.340 1.949 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]2C2CC2)c1 ZINC001591888596 1173738751 /nfs/dbraw/zinc/73/87/51/1173738751.db2.gz LYJCRPALAQGYGH-GFCCVEGCSA-N -1 1 270.340 1.949 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](C)[C@H](C)C2)n1 ZINC001591884946 1173739323 /nfs/dbraw/zinc/73/93/23/1173739323.db2.gz HYHLXVIFVUFSHS-DTWKUNHWSA-N -1 1 273.344 1.447 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](C)[C@H](C)C2)n1 ZINC001591884946 1173739324 /nfs/dbraw/zinc/73/93/24/1173739324.db2.gz HYHLXVIFVUFSHS-DTWKUNHWSA-N -1 1 273.344 1.447 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCCc2cccs2)n1 ZINC001591899329 1173743249 /nfs/dbraw/zinc/74/32/49/1173743249.db2.gz HJTIQRWQESLWEQ-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCCc2cccs2)n1 ZINC001591899329 1173743255 /nfs/dbraw/zinc/74/32/55/1173743255.db2.gz HJTIQRWQESLWEQ-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM Cc1cc(CNc2ccnc(-c3nn[n-]n3)n2)ccc1F ZINC001591970387 1173761364 /nfs/dbraw/zinc/76/13/64/1173761364.db2.gz FPMDMYNHCKOABV-UHFFFAOYSA-N -1 1 285.286 1.138 20 0 CDADMM Cc1cc(N(C)C)ccc1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001591995323 1173766883 /nfs/dbraw/zinc/76/68/83/1173766883.db2.gz NVXKYFSBCQVSTK-UHFFFAOYSA-N -1 1 296.338 1.197 20 0 CDADMM Cc1cc(N(C)C[C@@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001591996102 1173768188 /nfs/dbraw/zinc/76/81/88/1173768188.db2.gz WYMLRMLBUVODMQ-NSHDSACASA-N -1 1 288.355 1.433 20 0 CDADMM Cc1cc(N(C)C[C@@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001591996102 1173768192 /nfs/dbraw/zinc/76/81/92/1173768192.db2.gz WYMLRMLBUVODMQ-NSHDSACASA-N -1 1 288.355 1.433 20 0 CDADMM Cc1cc(NCCc2cnc(C)cn2)nc(-c2nnn[n-]2)c1 ZINC001592051445 1173786250 /nfs/dbraw/zinc/78/62/50/1173786250.db2.gz SPAGGZRAUVJHIK-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1cc(NCCc2cnc(C)cn2)nc(-c2nn[n-]n2)c1 ZINC001592051445 1173786253 /nfs/dbraw/zinc/78/62/53/1173786253.db2.gz SPAGGZRAUVJHIK-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1cc(Nc2cncc(-c3nnn[n-]3)n2)ccc1N(C)C ZINC001592056695 1173789044 /nfs/dbraw/zinc/78/90/44/1173789044.db2.gz IMUPDPGRYIILPI-UHFFFAOYSA-N -1 1 296.338 1.775 20 0 CDADMM Cc1cc(Nc2cncc(-c3nn[n-]n3)n2)ccc1N(C)C ZINC001592056695 1173789047 /nfs/dbraw/zinc/78/90/47/1173789047.db2.gz IMUPDPGRYIILPI-UHFFFAOYSA-N -1 1 296.338 1.775 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@H](n2cccn2)C1 ZINC001592111049 1173801540 /nfs/dbraw/zinc/80/15/40/1173801540.db2.gz ZEXYQDDVVDPWCF-NSHDSACASA-N -1 1 296.338 1.218 20 0 CDADMM Cc1ccc(CCC(=O)Nc2c[nH]nc2-c2nn[n-]n2)cc1 ZINC001592149087 1173812058 /nfs/dbraw/zinc/81/20/58/1173812058.db2.gz YVOYNJOZPITORX-UHFFFAOYSA-N -1 1 297.322 1.470 20 0 CDADMM Cc1ccc(N2CCC(C)(F)CC2)c(-c2nnn[n-]2)n1 ZINC001592174341 1173824318 /nfs/dbraw/zinc/82/43/18/1173824318.db2.gz AZYCLQXWTPVKNY-UHFFFAOYSA-N -1 1 276.319 1.899 20 0 CDADMM Cc1ccc(N2CCC(C)(F)CC2)c(-c2nn[n-]n2)n1 ZINC001592174341 1173824326 /nfs/dbraw/zinc/82/43/26/1173824326.db2.gz AZYCLQXWTPVKNY-UHFFFAOYSA-N -1 1 276.319 1.899 20 0 CDADMM Cc1ccc(NC[C@H](CO)CC2CC2)nc1-c1nnn[n-]1 ZINC001592183929 1173828642 /nfs/dbraw/zinc/82/86/42/1173828642.db2.gz ZDMNKIGGYULMIL-LLVKDONJSA-N -1 1 288.355 1.391 20 0 CDADMM Cc1ccc(NC[C@H](CO)CC2CC2)nc1-c1nn[n-]n1 ZINC001592183929 1173828647 /nfs/dbraw/zinc/82/86/47/1173828647.db2.gz ZDMNKIGGYULMIL-LLVKDONJSA-N -1 1 288.355 1.391 20 0 CDADMM Cc1cccc([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)c1C ZINC001592223070 1173832720 /nfs/dbraw/zinc/83/27/20/1173832720.db2.gz TYBCDXMGHJPFBA-LLVKDONJSA-N -1 1 295.350 1.869 20 0 CDADMM Cc1cccc2c1CN(c1ncncc1-c1nn[n-]n1)CC2 ZINC001592244815 1173836087 /nfs/dbraw/zinc/83/60/87/1173836087.db2.gz MHVMLXHWEXXLOP-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM Cc1cccc(CNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001592230686 1173836554 /nfs/dbraw/zinc/83/65/54/1173836554.db2.gz DFFRVZRAXHWSBZ-UHFFFAOYSA-N -1 1 266.308 1.604 20 0 CDADMM Cc1cccc(CNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001592230686 1173836558 /nfs/dbraw/zinc/83/65/58/1173836558.db2.gz DFFRVZRAXHWSBZ-UHFFFAOYSA-N -1 1 266.308 1.604 20 0 CDADMM Cc1cccc(COC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001592232173 1173836594 /nfs/dbraw/zinc/83/65/94/1173836594.db2.gz UXOAUIAOQJXPDJ-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1cccc(COC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001592232173 1173836599 /nfs/dbraw/zinc/83/65/99/1173836599.db2.gz UXOAUIAOQJXPDJ-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1ccsc1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592283673 1173846161 /nfs/dbraw/zinc/84/61/61/1173846161.db2.gz IYPIPDYAKVJRCD-UHFFFAOYSA-N -1 1 289.320 1.760 20 0 CDADMM Cc1ccsc1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592283673 1173846166 /nfs/dbraw/zinc/84/61/66/1173846166.db2.gz IYPIPDYAKVJRCD-UHFFFAOYSA-N -1 1 289.320 1.760 20 0 CDADMM Cc1cnc(CNc2nc(C)cc(-c3nnn[n-]3)n2)c(C)c1 ZINC001592293671 1173848865 /nfs/dbraw/zinc/84/88/65/1173848865.db2.gz HVFOBFBSDJILPI-UHFFFAOYSA-N -1 1 296.338 1.589 20 0 CDADMM Cc1cnc(CNc2nc(C)cc(-c3nn[n-]n3)n2)c(C)c1 ZINC001592293671 1173848868 /nfs/dbraw/zinc/84/88/68/1173848868.db2.gz HVFOBFBSDJILPI-UHFFFAOYSA-N -1 1 296.338 1.589 20 0 CDADMM Cc1nc(C(=O)OCc2ccc(-c3nnn[n-]3)o2)c(C)o1 ZINC001592352462 1173864406 /nfs/dbraw/zinc/86/44/06/1173864406.db2.gz ZTGSYRWASMLMQN-UHFFFAOYSA-N -1 1 289.251 1.422 20 0 CDADMM Cc1nc(C(=O)OCc2ccc(-c3nn[n-]n3)o2)c(C)o1 ZINC001592352462 1173864410 /nfs/dbraw/zinc/86/44/10/1173864410.db2.gz ZTGSYRWASMLMQN-UHFFFAOYSA-N -1 1 289.251 1.422 20 0 CDADMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@H](C)[C@@H](C)O)n1 ZINC001592353632 1173865125 /nfs/dbraw/zinc/86/51/25/1173865125.db2.gz GGJWJOOQCDUQAC-RNFRBKRXSA-N -1 1 280.357 1.135 20 0 CDADMM Cc1nc(N[C@H]2CCS[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001592383275 1173876400 /nfs/dbraw/zinc/87/64/00/1173876400.db2.gz VJVCMCGEMVSJDI-APPZFPTMSA-N -1 1 291.384 1.661 20 0 CDADMM Cc1nc(N[C@H]2CCS[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001592383275 1173876407 /nfs/dbraw/zinc/87/64/07/1173876407.db2.gz VJVCMCGEMVSJDI-APPZFPTMSA-N -1 1 291.384 1.661 20 0 CDADMM Cc1nc(NC[C@@H]2C[C@H]2C2CCC2)cc(-c2nnn[n-]2)n1 ZINC001592393231 1173878059 /nfs/dbraw/zinc/87/80/59/1173878059.db2.gz UIUYBXVSCGFMFW-QWRGUYRKSA-N -1 1 285.355 1.813 20 0 CDADMM Cc1nc(NC[C@@H]2C[C@H]2C2CCC2)cc(-c2nn[n-]n2)n1 ZINC001592393231 1173878066 /nfs/dbraw/zinc/87/80/66/1173878066.db2.gz UIUYBXVSCGFMFW-QWRGUYRKSA-N -1 1 285.355 1.813 20 0 CDADMM Cc1ncc([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)s1 ZINC001592408181 1173881205 /nfs/dbraw/zinc/88/12/05/1173881205.db2.gz DJUYNWDVTKILRM-LURJTMIESA-N -1 1 288.340 1.595 20 0 CDADMM Cc1ncc([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)s1 ZINC001592408181 1173881211 /nfs/dbraw/zinc/88/12/11/1173881211.db2.gz DJUYNWDVTKILRM-LURJTMIESA-N -1 1 288.340 1.595 20 0 CDADMM ClC1=CCCN(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001592523723 1173911016 /nfs/dbraw/zinc/91/10/16/1173911016.db2.gz JTOMYZXVMQWKKV-UHFFFAOYSA-N -1 1 282.760 1.652 20 0 CDADMM ClC1=CCCN(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001592523723 1173911019 /nfs/dbraw/zinc/91/10/19/1173911019.db2.gz JTOMYZXVMQWKKV-UHFFFAOYSA-N -1 1 282.760 1.652 20 0 CDADMM Cc1nsc(SC2COC2)c1-c1nnn[n-]1 ZINC001592494402 1173905660 /nfs/dbraw/zinc/90/56/60/1173905660.db2.gz OCXOKQZSOCDTQL-UHFFFAOYSA-N -1 1 255.328 1.123 20 0 CDADMM Cc1nsc(SC2COC2)c1-c1nn[n-]n1 ZINC001592494402 1173905663 /nfs/dbraw/zinc/90/56/63/1173905663.db2.gz OCXOKQZSOCDTQL-UHFFFAOYSA-N -1 1 255.328 1.123 20 0 CDADMM Fc1ccc(Oc2ccncc2-c2nn[n-]n2)cn1 ZINC001592652829 1173954162 /nfs/dbraw/zinc/95/41/62/1173954162.db2.gz VIPNRXLYSZYISX-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM Fc1ccc2c(c1)CCN2Cc1cccc(-c2nnn[n-]2)n1 ZINC001592655126 1173954491 /nfs/dbraw/zinc/95/44/91/1173954491.db2.gz QRIAURKBESBQQL-UHFFFAOYSA-N -1 1 296.309 1.964 20 0 CDADMM Fc1ccc2c(c1)CCN2Cc1cccc(-c2nn[n-]n2)n1 ZINC001592655126 1173954496 /nfs/dbraw/zinc/95/44/96/1173954496.db2.gz QRIAURKBESBQQL-UHFFFAOYSA-N -1 1 296.309 1.964 20 0 CDADMM Fc1cccc(Cl)c1Cn1cc(-c2nn[n-]n2)nn1 ZINC001592656952 1173955079 /nfs/dbraw/zinc/95/50/79/1173955079.db2.gz YVNRVDVQQWJWAV-UHFFFAOYSA-N -1 1 279.666 1.299 20 0 CDADMM Fc1ccc2c(c1)OCCN2c1ncncc1-c1nn[n-]n1 ZINC001592653580 1173955512 /nfs/dbraw/zinc/95/55/12/1173955512.db2.gz DAUXFZUBARSJOV-UHFFFAOYSA-N -1 1 299.269 1.326 20 0 CDADMM Fc1cccc2c1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001592658455 1173957560 /nfs/dbraw/zinc/95/75/60/1173957560.db2.gz NVNROOIHTMIAHQ-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM Fc1cccc2c1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001592658455 1173957566 /nfs/dbraw/zinc/95/75/66/1173957566.db2.gz NVNROOIHTMIAHQ-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CC(C1CC1)C1CC1 ZINC001592754004 1173985628 /nfs/dbraw/zinc/98/56/28/1173985628.db2.gz KSQQZHDPPNDDCV-UHFFFAOYSA-N -1 1 287.327 1.112 20 0 CDADMM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)OCc1cccnc1-c1nnn[n-]1 ZINC001592821708 1173994667 /nfs/dbraw/zinc/99/46/67/1173994667.db2.gz YDJOURZIQJVNLQ-SCVCMEIPSA-N -1 1 299.334 1.741 20 0 CDADMM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)OCc1cccnc1-c1nn[n-]n1 ZINC001592821708 1173994676 /nfs/dbraw/zinc/99/46/76/1173994676.db2.gz YDJOURZIQJVNLQ-SCVCMEIPSA-N -1 1 299.334 1.741 20 0 CDADMM O=C(C[C@@H]1C[C@H]1C1CC1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592908101 1174000549 /nfs/dbraw/zinc/00/05/49/1174000549.db2.gz XICUWGOFBGCFPE-RYUDHWBXSA-N -1 1 298.350 1.314 20 0 CDADMM O=C(C[C@@H]1C[C@H]1C1CC1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592908101 1174000559 /nfs/dbraw/zinc/00/05/59/1174000559.db2.gz XICUWGOFBGCFPE-RYUDHWBXSA-N -1 1 298.350 1.314 20 0 CDADMM O=C(N[C@H]1CCCC(F)(F)C1)c1coc(-c2nnn[n-]2)c1 ZINC001592975917 1174011195 /nfs/dbraw/zinc/01/11/95/1174011195.db2.gz XAAPZFHZSATUSC-QMMMGPOBSA-N -1 1 297.265 1.767 20 0 CDADMM O=C(N[C@H]1CCCC(F)(F)C1)c1coc(-c2nn[n-]n2)c1 ZINC001592975917 1174011197 /nfs/dbraw/zinc/01/11/97/1174011197.db2.gz XAAPZFHZSATUSC-QMMMGPOBSA-N -1 1 297.265 1.767 20 0 CDADMM O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1coc(-c2nnn[n-]2)c1 ZINC001593034400 1174015949 /nfs/dbraw/zinc/01/59/49/1174015949.db2.gz QSXNQESXRKWMLM-BBBLOLIVSA-N -1 1 287.323 1.626 20 0 CDADMM O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1coc(-c2nn[n-]n2)c1 ZINC001593034400 1174015956 /nfs/dbraw/zinc/01/59/56/1174015956.db2.gz QSXNQESXRKWMLM-BBBLOLIVSA-N -1 1 287.323 1.626 20 0 CDADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@H]1CC1(F)F ZINC001593195473 1174031607 /nfs/dbraw/zinc/03/16/07/1174031607.db2.gz DPMRZGYGEHYAQF-RXMQYKEDSA-N -1 1 295.253 1.061 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1coc2ccccc12 ZINC001593198918 1174031892 /nfs/dbraw/zinc/03/18/92/1174031892.db2.gz BETLTBZGKDORBT-UHFFFAOYSA-N -1 1 295.262 1.588 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1coc2ccccc12 ZINC001593198918 1174031898 /nfs/dbraw/zinc/03/18/98/1174031898.db2.gz BETLTBZGKDORBT-UHFFFAOYSA-N -1 1 295.262 1.588 20 0 CDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)o1)C1CCCC1 ZINC001593281748 1174048589 /nfs/dbraw/zinc/04/85/89/1174048589.db2.gz ZOANYUKQZLNVIU-UHFFFAOYSA-N -1 1 290.279 1.376 20 0 CDADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001593307056 1174060063 /nfs/dbraw/zinc/06/00/63/1174060063.db2.gz LRIINKJLBDUTCU-JIGDXULJSA-N -1 1 291.336 1.413 20 0 CDADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001593307056 1174060068 /nfs/dbraw/zinc/06/00/68/1174060068.db2.gz LRIINKJLBDUTCU-JIGDXULJSA-N -1 1 291.336 1.413 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1Cc2ccccc2C1 ZINC001593368869 1174071205 /nfs/dbraw/zinc/07/12/05/1174071205.db2.gz BLSNMQJRZWPXDS-UHFFFAOYSA-N -1 1 281.275 1.616 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1Cc2ccccc2C1 ZINC001593368869 1174071210 /nfs/dbraw/zinc/07/12/10/1174071210.db2.gz BLSNMQJRZWPXDS-UHFFFAOYSA-N -1 1 281.275 1.616 20 0 CDADMM O=C1NCCC[C@H]1Sc1cccc(F)c1-c1nn[n-]n1 ZINC001593409520 1174076301 /nfs/dbraw/zinc/07/63/01/1174076301.db2.gz ZXITWBBYMNSWSJ-SECBINFHSA-N -1 1 293.327 1.377 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1C[C@@H]1C[C@H]1c1ccccc1 ZINC001593494096 1174087846 /nfs/dbraw/zinc/08/78/46/1174087846.db2.gz FJVCTSVNJGBXCS-JSGCOSHPSA-N -1 1 293.330 1.832 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ncn1C[C@@H]1CC2CCC1CC2 ZINC001593493469 1174088499 /nfs/dbraw/zinc/08/84/99/1174088499.db2.gz IDSPPAPMPKAIFO-ILDUYXDCSA-N -1 1 286.339 1.250 20 0 CDADMM c1cc2c(o1)CCCN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001593564633 1174139913 /nfs/dbraw/zinc/13/99/13/1174139913.db2.gz MLLPVMPZQJOGRB-UHFFFAOYSA-N -1 1 283.295 1.203 20 0 CDADMM c1cc2c(o1)CCCN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001593564633 1174139916 /nfs/dbraw/zinc/13/99/16/1174139916.db2.gz MLLPVMPZQJOGRB-UHFFFAOYSA-N -1 1 283.295 1.203 20 0 CDADMM c1cc(-c2nc(-c3ccccn3)no2)oc1-c1nn[n-]n1 ZINC001593569726 1174142982 /nfs/dbraw/zinc/14/29/82/1174142982.db2.gz UYCMCJOZVNYEQO-UHFFFAOYSA-N -1 1 281.235 1.572 20 0 CDADMM c1ccc([C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001593574038 1174144866 /nfs/dbraw/zinc/14/48/66/1174144866.db2.gz VYBSROSSSVSKRH-GFCCVEGCSA-N -1 1 293.334 1.998 20 0 CDADMM c1ccc2c(c1)CN(c1ccnc(-c3nnn[n-]3)c1)CCO2 ZINC001593579727 1174145166 /nfs/dbraw/zinc/14/51/66/1174145166.db2.gz AKUMGBFQOOUOND-UHFFFAOYSA-N -1 1 294.318 1.661 20 0 CDADMM c1ccc2c(c1)CN(c1ccnc(-c3nn[n-]n3)c1)CCO2 ZINC001593579727 1174145171 /nfs/dbraw/zinc/14/51/71/1174145171.db2.gz AKUMGBFQOOUOND-UHFFFAOYSA-N -1 1 294.318 1.661 20 0 CDADMM c1ccc2c(c1)OC[C@H]2CNc1ncncc1-c1nn[n-]n1 ZINC001593579223 1174145891 /nfs/dbraw/zinc/14/58/91/1174145891.db2.gz CYMWJPKONPVUEI-SECBINFHSA-N -1 1 295.306 1.245 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OC[C@H]2C[C@@]23CCOC3)c1 ZINC001593583623 1174149525 /nfs/dbraw/zinc/14/95/25/1174149525.db2.gz BNZXOUFOGAZEGS-NOZJJQNGSA-N -1 1 273.296 1.067 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OC[C@H]2C[C@@]23CCOC3)c1 ZINC001593583623 1174149537 /nfs/dbraw/zinc/14/95/37/1174149537.db2.gz BNZXOUFOGAZEGS-NOZJJQNGSA-N -1 1 273.296 1.067 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(SC[C@H]2CCCCO2)c1 ZINC001593585536 1174153534 /nfs/dbraw/zinc/15/35/34/1174153534.db2.gz VZYVBHGVJPMXFU-SECBINFHSA-N -1 1 277.353 1.923 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(SC[C@H]2CCCCO2)c1 ZINC001593585536 1174153541 /nfs/dbraw/zinc/15/35/41/1174153541.db2.gz VZYVBHGVJPMXFU-SECBINFHSA-N -1 1 277.353 1.923 20 0 CDADMM c1cncc([C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)c1 ZINC001593587990 1174155663 /nfs/dbraw/zinc/15/56/63/1174155663.db2.gz QXZSUHVCSYWDPV-LBPRGKRZSA-N -1 1 294.322 1.393 20 0 CDADMM c1cncc([C@@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)c1 ZINC001593587990 1174155664 /nfs/dbraw/zinc/15/56/64/1174155664.db2.gz QXZSUHVCSYWDPV-LBPRGKRZSA-N -1 1 294.322 1.393 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CC[C@H]3CCCC[C@H]3C2)n1 ZINC001593590375 1174158090 /nfs/dbraw/zinc/15/80/90/1174158090.db2.gz PXRKWNCVMKYOKZ-MNOVXSKESA-N -1 1 285.355 1.673 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CC[C@H]3CCCC[C@H]3C2)n1 ZINC001593590375 1174158093 /nfs/dbraw/zinc/15/80/93/1174158093.db2.gz PXRKWNCVMKYOKZ-MNOVXSKESA-N -1 1 285.355 1.673 20 0 CDADMM c1[nH]nc2ncc(NCc3csc(-c4nn[n-]n4)c3)cc12 ZINC001593595639 1174164056 /nfs/dbraw/zinc/16/40/56/1174164056.db2.gz APBGJZLYHNNCLR-UHFFFAOYSA-N -1 1 298.335 1.812 20 0 CDADMM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@@H]2N1Cc1cccc(F)n1 ZINC001594341054 1174182428 /nfs/dbraw/zinc/18/24/28/1174182428.db2.gz RRZJSJOZMHUWHO-LPTSXCQYSA-N -1 1 294.326 1.816 20 0 CDADMM Cc1cc(C2CCN(C(=O)[C@H]3C[C@@H](C(=O)[O-])C3)CC2)n[nH]1 ZINC001600183856 1174390151 /nfs/dbraw/zinc/39/01/51/1174390151.db2.gz GOCLKQWDPFSYLX-TXEJJXNPSA-N -1 1 291.351 1.535 20 0 CDADMM Cc1cc(C[C@H](C)NC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)n[nH]1 ZINC001600189516 1174393489 /nfs/dbraw/zinc/39/34/89/1174393489.db2.gz QJJNOOLBZWCILO-GZMMTYOYSA-N -1 1 292.339 1.122 20 0 CDADMM Cc1cc(N)nc(N2CCC[C@H](C(C)(C)C(=O)[O-])C2)n1 ZINC001600236655 1174420262 /nfs/dbraw/zinc/42/02/62/1174420262.db2.gz CEQNYOYDTFCYII-JTQLQIEISA-N -1 1 278.356 1.694 20 0 CDADMM Cc1cc(NC(=O)CN2C3CCC2(C(=O)[O-])CC3)on1 ZINC001600254506 1174424284 /nfs/dbraw/zinc/42/42/84/1174424284.db2.gz GFTIYXXBSONHNL-UHFFFAOYSA-N -1 1 279.296 1.003 20 0 CDADMM Cc1ccc(NC(=O)c2cnncc2O)c(C(=O)[O-])c1 ZINC001600458541 1174480764 /nfs/dbraw/zinc/48/07/64/1174480764.db2.gz XZXBFECHEJZICS-UHFFFAOYSA-N -1 1 273.248 1.441 20 0 CDADMM O=[N+]([O-])c1cccc(Oc2cnc(-c3nnn[n-]3)cn2)c1 ZINC000095144912 1174496014 /nfs/dbraw/zinc/49/60/14/1174496014.db2.gz XVCIRZLLCIHSRO-UHFFFAOYSA-N -1 1 285.223 1.357 20 0 CDADMM O=[N+]([O-])c1cccc(Oc2cnc(-c3nn[n-]n3)cn2)c1 ZINC000095144912 1174496018 /nfs/dbraw/zinc/49/60/18/1174496018.db2.gz XVCIRZLLCIHSRO-UHFFFAOYSA-N -1 1 285.223 1.357 20 0 CDADMM Cc1cccc(NC(=O)[C@H](C)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1 ZINC001600540533 1174501181 /nfs/dbraw/zinc/50/11/81/1174501181.db2.gz KYZZBKHUTAKNLX-SCUASFONSA-N -1 1 288.347 1.584 20 0 CDADMM Cc1cccc2c1cc[nH+]c2N(CCC(=O)[O-])CC(=O)[O-] ZINC001600552403 1174503938 /nfs/dbraw/zinc/50/39/38/1174503938.db2.gz JKSSWODLIOUKHL-UHFFFAOYSA-N -1 1 288.303 1.909 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)CC3CC3)[nH]c21 ZINC001601248903 1174810284 /nfs/dbraw/zinc/81/02/84/1174810284.db2.gz WZEYHEKDSQASGR-UHFFFAOYSA-N -1 1 259.265 2.000 20 0 CDADMM O=C([O-])[C@H]1CCC[C@H]1NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001601442171 1174873481 /nfs/dbraw/zinc/87/34/81/1174873481.db2.gz YJONFYRYTFRHHH-WCABBAIRSA-N -1 1 277.324 1.199 20 0 CDADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](F)c1ccccc1 ZINC001601568621 1174901050 /nfs/dbraw/zinc/90/10/50/1174901050.db2.gz XOLQIYLOMZLMAA-NEPJUHHUSA-N -1 1 291.282 1.232 20 0 CDADMM O=C([O-])c1csc(NC(=O)Nc2c[nH]nn2)c1 ZINC001601581032 1174907123 /nfs/dbraw/zinc/90/71/23/1174907123.db2.gz HYIGBOSXCPDBAD-UHFFFAOYSA-N -1 1 253.243 1.208 20 0 CDADMM O=C([O-])[C@@H](C[C@@H]1CCCOC1)NCc1ccc(CO)o1 ZINC001601644410 1174926399 /nfs/dbraw/zinc/92/63/99/1174926399.db2.gz ZCFOTOIEENZVCP-GXFFZTMASA-N -1 1 283.324 1.131 20 0 CDADMM O=C([O-])[C@H]1C[C@H](O)C[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC001601766428 1174995764 /nfs/dbraw/zinc/99/57/64/1174995764.db2.gz BWUKFJTWTSVWJU-KBPBESRZSA-N -1 1 289.331 1.230 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1cncc2ccccc21 ZINC001601772501 1174998826 /nfs/dbraw/zinc/99/88/26/1174998826.db2.gz KOMVAOVGHWONLZ-OCCSQVGLSA-N -1 1 272.304 1.255 20 0 CDADMM O=C([O-])/C=C/c1ccc(OCCN2CC=C[C@@H]2CO)cc1 ZINC001601883390 1175050634 /nfs/dbraw/zinc/05/06/34/1175050634.db2.gz MJIYWUBGVKYLFI-LHRNQBEKSA-N -1 1 289.331 1.396 20 0 CDADMM O=C([O-])CN1CCN(C(=O)c2cccc3cnccc32)CC1 ZINC001602061298 1175123865 /nfs/dbraw/zinc/12/38/65/1175123865.db2.gz VFQUCSSZCKBJLU-UHFFFAOYSA-N -1 1 299.330 1.077 20 0 CDADMM O=C([O-])[C@@H]1OCC[C@@H]1NCc1ccc(F)c(F)c1F ZINC001602203115 1175162263 /nfs/dbraw/zinc/16/22/63/1175162263.db2.gz QNOOUXOBVFWLFO-GZMMTYOYSA-N -1 1 275.226 1.436 20 0 CDADMM O=C([O-])c1ccccc1CN1CCO[C@H]([C@H]2CCCO2)C1 ZINC001602468860 1175250187 /nfs/dbraw/zinc/25/01/87/1175250187.db2.gz QNAKATKNSMQWNY-CABCVRRESA-N -1 1 291.347 1.765 20 0 CDADMM O=C([O-])c1cnc(CN[C@@H]2CCO[C@H]2c2ccccc2)cn1 ZINC001602522805 1175269921 /nfs/dbraw/zinc/26/99/21/1175269921.db2.gz DBMBUGHWKWTNHP-HIFRSBDPSA-N -1 1 299.330 1.795 20 0 CDADMM O=C([O-])c1cnoc1CN1CCC([C@H]2CCOC2)CC1 ZINC001602547740 1175287803 /nfs/dbraw/zinc/28/78/03/1175287803.db2.gz XZOBIEFSUVABMK-NSHDSACASA-N -1 1 280.324 1.621 20 0 CDADMM C(=Cc1ccccc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001602745971 1175382337 /nfs/dbraw/zinc/38/23/37/1175382337.db2.gz ZPIGHJYAVCNNJX-DAXSKMNVSA-N -1 1 279.307 1.782 20 0 CDADMM C(=Cc1ccccc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001602745971 1175382351 /nfs/dbraw/zinc/38/23/51/1175382351.db2.gz ZPIGHJYAVCNNJX-DAXSKMNVSA-N -1 1 279.307 1.782 20 0 CDADMM C1=CC[C@@]2(CC1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001602748782 1175383173 /nfs/dbraw/zinc/38/31/73/1175383173.db2.gz FWZKQPRGYXSOCJ-OAHLLOKOSA-N -1 1 297.366 1.983 20 0 CDADMM C[C@H](C(=O)OCc1cccnc1-c1nnn[n-]1)C1CC1 ZINC001603036928 1175479875 /nfs/dbraw/zinc/47/98/75/1175479875.db2.gz IQMSJARFPKHHQZ-QMMMGPOBSA-N -1 1 273.296 1.351 20 0 CDADMM C[C@H](C(=O)OCc1cccnc1-c1nn[n-]n1)C1CC1 ZINC001603036928 1175479882 /nfs/dbraw/zinc/47/98/82/1175479882.db2.gz IQMSJARFPKHHQZ-QMMMGPOBSA-N -1 1 273.296 1.351 20 0 CDADMM CC(=O)c1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)on1 ZINC001603103882 1175491917 /nfs/dbraw/zinc/49/19/17/1175491917.db2.gz XXTJVHWOCSFIHJ-SGMGOOAPSA-N -1 1 292.335 1.952 20 0 CDADMM CC(=O)c1cc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)on1 ZINC001603103882 1175491923 /nfs/dbraw/zinc/49/19/23/1175491923.db2.gz XXTJVHWOCSFIHJ-SGMGOOAPSA-N -1 1 292.335 1.952 20 0 CDADMM CC(C)(NCc1ccc(-c2nnn[n-]2)o1)C(F)F ZINC001603165427 1175506941 /nfs/dbraw/zinc/50/69/41/1175506941.db2.gz ORQHLGPAOCVMPY-UHFFFAOYSA-N -1 1 257.244 1.593 20 0 CDADMM CC(C)(NCc1ccc(-c2nn[n-]n2)o1)C(F)F ZINC001603165427 1175506946 /nfs/dbraw/zinc/50/69/46/1175506946.db2.gz 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/nfs/dbraw/zinc/59/94/53/1175599453.db2.gz ZFPFMAAPSVXRIP-UHFFFAOYSA-N -1 1 292.379 1.725 20 0 CDADMM CC1(C(=O)CSc2cccnc2-c2nnn[n-]2)CC1 ZINC001603738411 1175613143 /nfs/dbraw/zinc/61/31/43/1175613143.db2.gz MPGVOOHBZKWPLS-UHFFFAOYSA-N -1 1 275.337 1.723 20 0 CDADMM CC1(C(=O)CSc2cccnc2-c2nn[n-]n2)CC1 ZINC001603738411 1175613147 /nfs/dbraw/zinc/61/31/47/1175613147.db2.gz MPGVOOHBZKWPLS-UHFFFAOYSA-N -1 1 275.337 1.723 20 0 CDADMM CC(C)[C@@]1(CO)CCC[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001603748271 1175614794 /nfs/dbraw/zinc/61/47/94/1175614794.db2.gz AVMYASAKAQQNDK-HNNXBMFYSA-N -1 1 280.368 1.943 20 0 CDADMM C[C@]1(C(=O)[O-])CCC[N@@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC001603751198 1175616334 /nfs/dbraw/zinc/61/63/34/1175616334.db2.gz CPLCFKQZRLLVHX-GFCCVEGCSA-N -1 1 293.352 1.367 20 0 CDADMM C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC001603751198 1175616338 /nfs/dbraw/zinc/61/63/38/1175616338.db2.gz CPLCFKQZRLLVHX-GFCCVEGCSA-N -1 1 293.352 1.367 20 0 CDADMM 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C[C@H]1CCC[C@H](C)N(C(=O)CCCc2nn[n-]n2)C1 ZINC000635604026 362153595 /nfs/dbraw/zinc/15/35/95/362153595.db2.gz CIVLPKKJBDPCHL-QWRGUYRKSA-N -1 1 265.361 1.560 20 0 CDADMM O=S(=O)([N-][C@H]1[C@@H]2COC[C@@H]21)c1cc(F)c(F)cc1F ZINC000330151925 362164214 /nfs/dbraw/zinc/16/42/14/362164214.db2.gz NRTLROIAQWBESV-ZVVJDGAVSA-N -1 1 293.266 1.027 20 0 CDADMM CC[C@]1(C)CC[N@H+]([C@@H]2CCCCN(CC(=O)[O-])C2=O)C1 ZINC000643874126 362179981 /nfs/dbraw/zinc/17/99/81/362179981.db2.gz PFMFLACXJCLHOJ-IUODEOHRSA-N -1 1 282.384 1.574 20 0 CDADMM CCC[C@@H](NC(=O)c1ccncc1F)c1nn[n-]n1 ZINC000095170491 342430908 /nfs/dbraw/zinc/43/09/08/342430908.db2.gz JQHQCRZXVDNOLT-SECBINFHSA-N -1 1 264.264 1.005 20 0 CDADMM CCc1cnc(NC(=O)CCCc2nn[n-]n2)s1 ZINC000635640093 362239090 /nfs/dbraw/zinc/23/90/90/362239090.db2.gz NXGIPTCRXHUUBF-UHFFFAOYSA-N -1 1 266.330 1.180 20 0 CDADMM CCOC(=O)c1cnc(C(C)=Cc2cn(C)cn2)[n-]c1=O ZINC000619743336 349885266 /nfs/dbraw/zinc/88/52/66/349885266.db2.gz JYKPAABPRKCJJV-WEVVVXLNSA-N -1 1 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349300562 /nfs/dbraw/zinc/30/05/62/349300562.db2.gz RNXZLUCPLKOALD-ZDUSSCGKSA-N -1 1 286.331 1.831 20 0 CDADMM NC(=O)NC[C@@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000271273630 191043618 /nfs/dbraw/zinc/04/36/18/191043618.db2.gz OYHQJKCBFPXGKA-VIFPVBQESA-N -1 1 295.314 1.052 20 0 CDADMM O=S(=O)([N-]C[C@H]1CCOC1)c1cc(F)c(F)cc1F ZINC000105619086 186066420 /nfs/dbraw/zinc/06/64/20/186066420.db2.gz JADGGDVBFJPLQX-SSDOTTSWSA-N -1 1 295.282 1.419 20 0 CDADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C)o1 ZINC000107700744 186186495 /nfs/dbraw/zinc/18/64/95/186186495.db2.gz OOCJCYNLXPQCNG-DTWKUNHWSA-N -1 1 287.337 1.533 20 0 CDADMM COCCS(=O)(=O)[N-]c1cccc(F)c1F ZINC000110097669 186284998 /nfs/dbraw/zinc/28/49/98/186284998.db2.gz SODBPEHBTBXMHX-UHFFFAOYSA-N -1 1 251.254 1.353 20 0 CDADMM O=C(NCc1nn[n-]n1)c1cc2ccc(F)cc2s1 ZINC000096477753 351565426 /nfs/dbraw/zinc/56/54/26/351565426.db2.gz RAPWKPXUGSJXHU-UHFFFAOYSA-N -1 1 277.284 1.484 20 0 CDADMM CC(=O)NC[C@@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 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283.299 1.945 20 0 CDADMM O=C1NC(=O)N2CCN([C@H]3C=CCCCCC3)C[C@@H]12 ZINC000328817447 202070506 /nfs/dbraw/zinc/07/05/06/202070506.db2.gz GWAAOLJLVAIAAG-RYUDHWBXSA-N -1 1 263.341 1.952 20 0 CDADMM O=C([O-])Cc1ccc(-n2[nH]c3c(c2=O)CCC3)cc1 ZINC000634633044 356606279 /nfs/dbraw/zinc/60/62/79/356606279.db2.gz IHWRUVOVKILOTN-LLVKDONJSA-N -1 1 258.277 1.816 20 0 CDADMM COc1cccc([C@H](C(=O)[O-])[N@H+]2CC[C@H](OC)C2)c1 ZINC000634692007 356978504 /nfs/dbraw/zinc/97/85/04/356978504.db2.gz SADPUZQXBUGGFN-QWHCGFSZSA-N -1 1 265.309 1.542 20 0 CDADMM COc1cccc([C@H](C(=O)[O-])N2CC[C@H](OC)C2)c1 ZINC000634692007 356978507 /nfs/dbraw/zinc/97/85/07/356978507.db2.gz SADPUZQXBUGGFN-QWHCGFSZSA-N -1 1 265.309 1.542 20 0 CDADMM CC[C@@H]1CCC[C@H]1CNc1nc2[nH][n-]cc-2c(=O)n1 ZINC000562539349 290541317 /nfs/dbraw/zinc/54/13/17/290541317.db2.gz SEVXYYMHVUITIB-BDAKNGLRSA-N -1 1 261.329 1.670 20 0 CDADMM C[C@@](O)(C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1)C(=O)[O-] ZINC000634697626 357284086 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252.701 1.497 20 0 CDADMM O=C([O-])[C@]12CCC[C@H]1N(Cc1nccn1CC(F)F)CC2 ZINC001602223177 1175174883 /nfs/dbraw/zinc/17/48/83/1175174883.db2.gz ZUHDXUJTQKMSKR-YGRLFVJLSA-N -1 1 299.321 1.977 20 0 CDADMM O=C(NCCO[C@@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000885739655 678250019 /nfs/dbraw/zinc/25/00/19/678250019.db2.gz CDDRRARJAVRDQU-SNVBAGLBSA-N -1 1 285.727 1.581 20 0 CDADMM O=C(COC(F)(F)F)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000935830466 678264757 /nfs/dbraw/zinc/26/47/57/678264757.db2.gz YRDYITDSKMHLFV-UHFFFAOYSA-N -1 1 295.217 1.018 20 0 CDADMM CN(CCC(=O)[O-])C(=O)c1ccc(O)c(Cl)c1 ZINC000037931320 597012694 /nfs/dbraw/zinc/01/26/94/597012694.db2.gz ATWBNPCNWSZDGX-UHFFFAOYSA-N -1 1 257.673 1.592 20 0 CDADMM C[C@@H](Cc1ccsc1)N1CCO[C@@H](C(=O)[O-])C1 ZINC000689948243 597731514 /nfs/dbraw/zinc/73/15/14/597731514.db2.gz DDBDWOPSRAWRMJ-GXSJLCMTSA-N -1 1 255.339 1.465 20 0 CDADMM CC[C@]1(C)CC(=O)N(CN2CCC[C@H](CC(=O)[O-])C2)C1=O ZINC000820285151 598093670 /nfs/dbraw/zinc/09/36/70/598093670.db2.gz 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/nfs/dbraw/zinc/05/17/82/602051782.db2.gz SACSOHWHCGNKED-QJPTWQEYSA-N -1 1 270.373 1.476 20 0 CDADMM c1cc(CSC2=NCCS2)cc(-c2nnn[n-]2)n1 ZINC000826516685 607541553 /nfs/dbraw/zinc/54/15/53/607541553.db2.gz WECKQTWPVAPXCK-UHFFFAOYSA-N -1 1 278.366 1.598 20 0 CDADMM c1cc(CSC2=NCCS2)cc(-c2nn[n-]n2)n1 ZINC000826516685 607541554 /nfs/dbraw/zinc/54/15/54/607541554.db2.gz WECKQTWPVAPXCK-UHFFFAOYSA-N -1 1 278.366 1.598 20 0 CDADMM CC1=C(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCC1 ZINC000824852019 607587167 /nfs/dbraw/zinc/58/71/67/607587167.db2.gz HMKJZWYOOGWRIY-UHFFFAOYSA-N -1 1 273.300 1.039 20 0 CDADMM CC1=C(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCC1 ZINC000824852019 607587168 /nfs/dbraw/zinc/58/71/68/607587168.db2.gz HMKJZWYOOGWRIY-UHFFFAOYSA-N -1 1 273.300 1.039 20 0 CDADMM CN1CCN(C(=O)CCCNC(=O)[O-])C2(CCCCC2)C1 ZINC000828494877 603554132 /nfs/dbraw/zinc/55/41/32/603554132.db2.gz MQIHNNZYYBWLON-UHFFFAOYSA-N -1 1 297.399 1.511 20 0 CDADMM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1ccccc1 ZINC000827021930 604399296 /nfs/dbraw/zinc/39/92/96/604399296.db2.gz NGCQKAQXOZJRCV-CYBMUJFWSA-N -1 1 251.326 1.997 20 0 CDADMM CC(C)(C)c1noc(CNC(C)(C)CC(=O)[O-])n1 ZINC000826542356 604443312 /nfs/dbraw/zinc/44/33/12/604443312.db2.gz RVRPIGWUELHCLF-UHFFFAOYSA-N -1 1 255.318 1.710 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)[C@@H](C)CN1C ZINC000820244242 604577507 /nfs/dbraw/zinc/57/75/07/604577507.db2.gz AAMCDDYLOSIQEI-MNOVXSKESA-N -1 1 276.336 1.549 20 0 CDADMM CC[C@H](C)OCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825075240 607724615 /nfs/dbraw/zinc/72/46/15/607724615.db2.gz NMCZTTBWYHTQHZ-VIFPVBQESA-N -1 1 291.311 1.120 20 0 CDADMM CC[C@H](C)OCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825075240 607724616 /nfs/dbraw/zinc/72/46/16/607724616.db2.gz NMCZTTBWYHTQHZ-VIFPVBQESA-N -1 1 291.311 1.120 20 0 CDADMM CC(C)(CNC(=O)c1ccc(F)cc1O)C(=O)[O-] ZINC000232516274 605006874 /nfs/dbraw/zinc/00/68/74/605006874.db2.gz SVIOERKNRXRPPX-UHFFFAOYSA-N -1 1 255.245 1.372 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccccc1 ZINC000833622333 605099667 /nfs/dbraw/zinc/09/96/67/605099667.db2.gz AWXQGTMHLBVONL-GFCCVEGCSA-N -1 1 276.336 1.308 20 0 CDADMM CCO[C@@H]1C[C@H](N(C)CN2C[C@H](C(=O)[O-])CC2=O)C1(C)C ZINC000833659692 605173874 /nfs/dbraw/zinc/17/38/74/605173874.db2.gz FLRBLZRQBUPLRH-GRYCIOLGSA-N -1 1 298.383 1.012 20 0 CDADMM CC(C)C[C@H]1CCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000833484585 605174989 /nfs/dbraw/zinc/17/49/89/605174989.db2.gz XDJRDEFYSFDIOK-NEPJUHHUSA-N -1 1 268.357 1.245 20 0 CDADMM C[C@@H]1CN(C(=O)CC2CCCC2)CCN1CCC(=O)[O-] ZINC000833620259 605256851 /nfs/dbraw/zinc/25/68/51/605256851.db2.gz WBOFNKYDPJPLNK-GFCCVEGCSA-N -1 1 282.384 1.574 20 0 CDADMM C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)CC(C)(C)CC(=O)[O-] ZINC000833624068 605266745 /nfs/dbraw/zinc/26/67/45/605266745.db2.gz KSMAJHQUQVOKHD-PHIMTYICSA-N -1 1 270.373 1.428 20 0 CDADMM C[C@@H]1CN(C)C[C@H](C)N1C(=O)CC(C)(C)CC(=O)[O-] ZINC000833624068 605266747 /nfs/dbraw/zinc/26/67/47/605266747.db2.gz KSMAJHQUQVOKHD-PHIMTYICSA-N -1 1 270.373 1.428 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CN2CCOCC23CCCC3)O1 ZINC000833580137 605377272 /nfs/dbraw/zinc/37/72/72/605377272.db2.gz PRYRCZXLVJPVGU-GFCCVEGCSA-N -1 1 281.352 1.779 20 0 CDADMM C[C@@]1(O)CCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000833572653 605837771 /nfs/dbraw/zinc/83/77/71/605837771.db2.gz WESVOYZUAWNIKF-CYBMUJFWSA-N -1 1 269.728 1.995 20 0 CDADMM CCN(Cc1ccoc1)c1cccc(-c2nnn[n-]2)n1 ZINC000821231164 606124226 /nfs/dbraw/zinc/12/42/26/606124226.db2.gz WRJRDCSFEBLEIR-UHFFFAOYSA-N -1 1 270.296 1.881 20 0 CDADMM CCN(Cc1ccoc1)c1cccc(-c2nn[n-]n2)n1 ZINC000821231164 606124227 /nfs/dbraw/zinc/12/42/27/606124227.db2.gz WRJRDCSFEBLEIR-UHFFFAOYSA-N -1 1 270.296 1.881 20 0 CDADMM O=C(OCCOC1CCC1)c1sccc1-c1nn[n-]n1 ZINC000823405763 606182604 /nfs/dbraw/zinc/18/26/04/606182604.db2.gz UPMSQRUTHCIOQK-UHFFFAOYSA-N -1 1 294.336 1.654 20 0 CDADMM CS[C@H](C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000821949047 606194996 /nfs/dbraw/zinc/19/49/96/606194996.db2.gz FJHBFXYPPJLHRC-ZCFIWIBFSA-N -1 1 279.325 1.262 20 0 CDADMM CN(CCc1ccncc1)c1cccc(-c2nnn[n-]2)n1 ZINC000095294646 606462160 /nfs/dbraw/zinc/46/21/60/606462160.db2.gz QOLSVQTYIDORDY-UHFFFAOYSA-N -1 1 281.323 1.336 20 0 CDADMM CN(CCc1ccncc1)c1cccc(-c2nn[n-]n2)n1 ZINC000095294646 606462162 /nfs/dbraw/zinc/46/21/62/606462162.db2.gz QOLSVQTYIDORDY-UHFFFAOYSA-N -1 1 281.323 1.336 20 0 CDADMM CCCCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821055882 606485589 /nfs/dbraw/zinc/48/55/89/606485589.db2.gz IZBBOHIYFWBBTF-UHFFFAOYSA-N -1 1 265.342 1.848 20 0 CDADMM CCCCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821055882 606485590 /nfs/dbraw/zinc/48/55/90/606485590.db2.gz IZBBOHIYFWBBTF-UHFFFAOYSA-N -1 1 265.342 1.848 20 0 CDADMM O=C(NCCc1ccco1)c1ccc(-c2nnn[n-]2)s1 ZINC000823223772 606494030 /nfs/dbraw/zinc/49/40/30/606494030.db2.gz IFOMEANNVMOVIG-UHFFFAOYSA-N -1 1 289.320 1.494 20 0 CDADMM O=C(NCCc1ccco1)c1ccc(-c2nn[n-]n2)s1 ZINC000823223772 606494032 /nfs/dbraw/zinc/49/40/32/606494032.db2.gz IFOMEANNVMOVIG-UHFFFAOYSA-N -1 1 289.320 1.494 20 0 CDADMM C[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820711397 606516588 /nfs/dbraw/zinc/51/65/88/606516588.db2.gz YDAFIKQGNPOCIP-QMMMGPOBSA-N -1 1 277.353 1.800 20 0 CDADMM C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820711397 606516589 /nfs/dbraw/zinc/51/65/89/606516589.db2.gz YDAFIKQGNPOCIP-QMMMGPOBSA-N -1 1 277.353 1.800 20 0 CDADMM O=C(CCC1CCCC1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000822950323 606531089 /nfs/dbraw/zinc/53/10/89/606531089.db2.gz JXDBGIIFPGBIFB-UHFFFAOYSA-N -1 1 275.316 1.499 20 0 CDADMM O=C(CCC1CCCC1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000822950323 606531090 /nfs/dbraw/zinc/53/10/90/606531090.db2.gz JXDBGIIFPGBIFB-UHFFFAOYSA-N -1 1 275.316 1.499 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cc2ccccc2o1 ZINC000823289667 606532614 /nfs/dbraw/zinc/53/26/14/606532614.db2.gz MEMTVIPDVLMIIP-UHFFFAOYSA-N -1 1 295.262 1.588 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc2ccccc2o1 ZINC000823289667 606532616 /nfs/dbraw/zinc/53/26/16/606532616.db2.gz MEMTVIPDVLMIIP-UHFFFAOYSA-N -1 1 295.262 1.588 20 0 CDADMM O=C(NCc1ccc[nH]1)c1ccc(-c2nnn[n-]2)s1 ZINC000823253339 606576400 /nfs/dbraw/zinc/57/64/00/606576400.db2.gz GNEWSGVLDPIPRK-UHFFFAOYSA-N -1 1 274.309 1.186 20 0 CDADMM O=C(NCc1ccc[nH]1)c1ccc(-c2nn[n-]n2)s1 ZINC000823253339 606576402 /nfs/dbraw/zinc/57/64/02/606576402.db2.gz GNEWSGVLDPIPRK-UHFFFAOYSA-N -1 1 274.309 1.186 20 0 CDADMM COc1ccc(Cn2ccnc2-c2nnn[n-]2)cc1F ZINC000821827460 606655036 /nfs/dbraw/zinc/65/50/36/606655036.db2.gz BQHUBQCQQAIXMU-UHFFFAOYSA-N -1 1 274.259 1.259 20 0 CDADMM COc1ccc(Cn2ccnc2-c2nn[n-]n2)cc1F ZINC000821827460 606655037 /nfs/dbraw/zinc/65/50/37/606655037.db2.gz BQHUBQCQQAIXMU-UHFFFAOYSA-N -1 1 274.259 1.259 20 0 CDADMM c1csc(-c2nc(Cn3ccnc3-c3nnn[n-]3)co2)c1 ZINC000823815585 606655378 /nfs/dbraw/zinc/65/53/78/606655378.db2.gz FTGALJZVUSHRKU-UHFFFAOYSA-N -1 1 299.319 1.828 20 0 CDADMM c1csc(-c2nc(Cn3ccnc3-c3nn[n-]n3)co2)c1 ZINC000823815585 606655379 /nfs/dbraw/zinc/65/53/79/606655379.db2.gz FTGALJZVUSHRKU-UHFFFAOYSA-N -1 1 299.319 1.828 20 0 CDADMM O=C(NCCC1CCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823187781 606690704 /nfs/dbraw/zinc/69/07/04/606690704.db2.gz RAPZYQJHFLKMOQ-UHFFFAOYSA-N -1 1 277.353 1.848 20 0 CDADMM O=C(NCCC1CCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823187781 606690705 /nfs/dbraw/zinc/69/07/05/606690705.db2.gz RAPZYQJHFLKMOQ-UHFFFAOYSA-N -1 1 277.353 1.848 20 0 CDADMM C[C@@]1(COC(=O)c2sccc2-c2nn[n-]n2)CCCO1 ZINC000820623391 606898568 /nfs/dbraw/zinc/89/85/68/606898568.db2.gz OGTLLBDMFYZHGM-LBPRGKRZSA-N -1 1 294.336 1.654 20 0 CDADMM c1cnc(N2CCC3(CCC3)C2)c(-c2nnn[n-]2)n1 ZINC000823809950 606948631 /nfs/dbraw/zinc/94/86/31/606948631.db2.gz SOPVTJRNIDQUEY-UHFFFAOYSA-N -1 1 257.301 1.037 20 0 CDADMM c1cnc(N2CCC3(CCC3)C2)c(-c2nn[n-]n2)n1 ZINC000823809950 606948632 /nfs/dbraw/zinc/94/86/32/606948632.db2.gz SOPVTJRNIDQUEY-UHFFFAOYSA-N -1 1 257.301 1.037 20 0 CDADMM c1cc(N[C@H]2CCOC3(CCC3)C2)nc(-c2nnn[n-]2)c1 ZINC000823757590 607133447 /nfs/dbraw/zinc/13/34/47/607133447.db2.gz RXTSBYOOZDHZEJ-JTQLQIEISA-N -1 1 286.339 1.775 20 0 CDADMM c1cc(N[C@H]2CCOC3(CCC3)C2)nc(-c2nn[n-]n2)c1 ZINC000823757590 607133449 /nfs/dbraw/zinc/13/34/49/607133449.db2.gz RXTSBYOOZDHZEJ-JTQLQIEISA-N -1 1 286.339 1.775 20 0 CDADMM O=Cc1ccc(Oc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826484136 607895111 /nfs/dbraw/zinc/89/51/11/607895111.db2.gz OZXURVLTXLPFKR-UHFFFAOYSA-N -1 1 267.248 1.867 20 0 CDADMM O=Cc1ccc(Oc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826484136 607895112 /nfs/dbraw/zinc/89/51/12/607895112.db2.gz OZXURVLTXLPFKR-UHFFFAOYSA-N -1 1 267.248 1.867 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C=Cc1ccsc1 ZINC000826394921 608078402 /nfs/dbraw/zinc/07/84/02/608078402.db2.gz FDXWZMNDUZBDNZ-UPHRSURJSA-N -1 1 287.308 1.061 20 0 CDADMM Clc1nsc(Sc2ncc[nH]2)c1-c1nnn[n-]1 ZINC000826354534 608186481 /nfs/dbraw/zinc/18/64/81/608186481.db2.gz JAYKKKYQLOEGPS-UHFFFAOYSA-N -1 1 285.745 1.851 20 0 CDADMM Clc1nsc(Sc2ncc[nH]2)c1-c1nn[n-]n1 ZINC000826354534 608186482 /nfs/dbraw/zinc/18/64/82/608186482.db2.gz JAYKKKYQLOEGPS-UHFFFAOYSA-N -1 1 285.745 1.851 20 0 CDADMM C[C@H](CCO)Sc1snc(Cl)c1-c1nnn[n-]1 ZINC000824406691 608186840 /nfs/dbraw/zinc/18/68/40/608186840.db2.gz PZAGJEQVSXBSMB-SCSAIBSYSA-N -1 1 291.789 1.840 20 0 CDADMM C[C@H](CCO)Sc1snc(Cl)c1-c1nn[n-]n1 ZINC000824406691 608186843 /nfs/dbraw/zinc/18/68/43/608186843.db2.gz PZAGJEQVSXBSMB-SCSAIBSYSA-N -1 1 291.789 1.840 20 0 CDADMM C[C@H](O)C(C)(C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000824677450 608193994 /nfs/dbraw/zinc/19/39/94/608193994.db2.gz DPNZVCZCFOHJGD-BYPYZUCNSA-N -1 1 288.764 1.548 20 0 CDADMM C[C@H](O)C(C)(C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000824677450 608193996 /nfs/dbraw/zinc/19/39/96/608193996.db2.gz DPNZVCZCFOHJGD-BYPYZUCNSA-N -1 1 288.764 1.548 20 0 CDADMM C[C@H](N(C)c1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC000824466049 608394879 /nfs/dbraw/zinc/39/48/79/608394879.db2.gz VJUVFKFJERRKSX-QMMMGPOBSA-N -1 1 261.333 1.528 20 0 CDADMM C[C@H](N(C)c1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC000824466049 608394881 /nfs/dbraw/zinc/39/48/81/608394881.db2.gz VJUVFKFJERRKSX-QMMMGPOBSA-N -1 1 261.333 1.528 20 0 CDADMM CC(C)[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000824216919 608404635 /nfs/dbraw/zinc/40/46/35/608404635.db2.gz XFHVXRPJKUSMES-JTQLQIEISA-N -1 1 259.317 1.282 20 0 CDADMM CC(C)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000824216919 608404636 /nfs/dbraw/zinc/40/46/36/608404636.db2.gz XFHVXRPJKUSMES-JTQLQIEISA-N -1 1 259.317 1.282 20 0 CDADMM CCC(CC)Sc1ccc(-c2nnn[n-]2)nn1 ZINC000825114997 608409965 /nfs/dbraw/zinc/40/99/65/608409965.db2.gz SKZSOISNMRZSBF-UHFFFAOYSA-N -1 1 250.331 1.937 20 0 CDADMM CCC(CC)Sc1ccc(-c2nn[n-]n2)nn1 ZINC000825114997 608409966 /nfs/dbraw/zinc/40/99/66/608409966.db2.gz SKZSOISNMRZSBF-UHFFFAOYSA-N -1 1 250.331 1.937 20 0 CDADMM C[C@H]1CC[C@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824906934 608425859 /nfs/dbraw/zinc/42/58/59/608425859.db2.gz FOWMUUROZLFTDF-IUCAKERBSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@H]1CC[C@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824906934 608425858 /nfs/dbraw/zinc/42/58/58/608425858.db2.gz FOWMUUROZLFTDF-IUCAKERBSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1c1ccccc1 ZINC000824991685 608426111 /nfs/dbraw/zinc/42/61/11/608426111.db2.gz FCGFGVCADDYAHG-YGRLFVJLSA-N -1 1 293.334 1.854 20 0 CDADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1c1ccccc1 ZINC000824991685 608426112 /nfs/dbraw/zinc/42/61/12/608426112.db2.gz FCGFGVCADDYAHG-YGRLFVJLSA-N -1 1 293.334 1.854 20 0 CDADMM c1nn(CC2CC2)cc1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826526498 608426955 /nfs/dbraw/zinc/42/69/55/608426955.db2.gz BDUXAKNCSRSNIY-UHFFFAOYSA-N -1 1 283.299 1.007 20 0 CDADMM c1nn(CC2CC2)cc1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826526498 608426957 /nfs/dbraw/zinc/42/69/57/608426957.db2.gz BDUXAKNCSRSNIY-UHFFFAOYSA-N -1 1 283.299 1.007 20 0 CDADMM CS[C@H]1CCCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826227012 608435732 /nfs/dbraw/zinc/43/57/32/608435732.db2.gz KDOFXIXQRSVWJI-VIFPVBQESA-N -1 1 291.384 1.379 20 0 CDADMM CS[C@H]1CCCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826227012 608435733 /nfs/dbraw/zinc/43/57/33/608435733.db2.gz KDOFXIXQRSVWJI-VIFPVBQESA-N -1 1 291.384 1.379 20 0 CDADMM O=C(c1ccc([O-])cc1F)N1CC[C@H](O)[C@@H](F)C1 ZINC000890690571 617278416 /nfs/dbraw/zinc/27/84/16/617278416.db2.gz FKZFESGRAGTLJG-QWRGUYRKSA-N -1 1 257.236 1.076 20 0 CDADMM O=C(NCCOC1CCSCC1)c1ncccc1[O-] ZINC000891226961 617387122 /nfs/dbraw/zinc/38/71/22/617387122.db2.gz ZJVVAKYVSSWSAO-UHFFFAOYSA-N -1 1 282.365 1.429 20 0 CDADMM COCc1nc(NCC2(c3ccccn3)CC2)cc(=O)[n-]1 ZINC000893142795 617407502 /nfs/dbraw/zinc/40/75/02/617407502.db2.gz UGSCNWSNXUKFAT-UHFFFAOYSA-N -1 1 286.335 1.867 20 0 CDADMM CCc1cnc(CNc2cc(=O)[n-]c(COC)n2)o1 ZINC000893228282 617476637 /nfs/dbraw/zinc/47/66/37/617476637.db2.gz FAXJCBGOUQECQN-UHFFFAOYSA-N -1 1 264.285 1.491 20 0 CDADMM CCC(=O)N1C[C@H](C)[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000959295844 614807145 /nfs/dbraw/zinc/80/71/45/614807145.db2.gz ZIYLSBFGVOSHIT-QWRGUYRKSA-N -1 1 291.351 1.022 20 0 CDADMM CC[C@](C)(OC)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891618266 617507180 /nfs/dbraw/zinc/50/71/80/617507180.db2.gz OKGPQSJBSJWHRK-AWEZNQCLSA-N -1 1 279.340 1.815 20 0 CDADMM CC[C@@H](C)C(=O)N1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000949532278 615426396 /nfs/dbraw/zinc/42/63/96/615426396.db2.gz ZSSISLGTGFQNFY-MNOVXSKESA-N -1 1 291.351 1.164 20 0 CDADMM CC[C@H](C)CN1CC(N(CC)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000949874553 615650742 /nfs/dbraw/zinc/65/07/42/615650742.db2.gz QDRPKUPUXPARMN-JTQLQIEISA-N -1 1 294.399 1.616 20 0 CDADMM CC[C@H]1CCCC[C@H]1OCC(=O)N(C)c1nn[n-]n1 ZINC000892954532 617978051 /nfs/dbraw/zinc/97/80/51/617978051.db2.gz LATIGVDXTPUXBZ-VHSXEESVSA-N -1 1 267.333 1.148 20 0 CDADMM O=C(c1ccc(Br)cc1[O-])N1CCOCN1 ZINC000928952415 620738437 /nfs/dbraw/zinc/73/84/37/620738437.db2.gz KGNOGIZKGADNLW-UHFFFAOYSA-N -1 1 287.113 1.089 20 0 CDADMM COCc1nc(NCc2ncc(C)o2)cc(=O)[n-]1 ZINC000892750140 617698438 /nfs/dbraw/zinc/69/84/38/617698438.db2.gz RFGFBOJXDBOJOD-UHFFFAOYSA-N -1 1 250.258 1.237 20 0 CDADMM O=C([O-])C1(NC(=O)c2[nH]nc3c2CCCCC3)CCC1 ZINC000909338694 617751841 /nfs/dbraw/zinc/75/18/41/617751841.db2.gz 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CCc1oc(CN2CC[C@@](CO)(COC)C2)cc1C(=O)[O-] ZINC001605890234 1163709286 /nfs/dbraw/zinc/70/92/86/1163709286.db2.gz JZYHVESFTFHJQB-OAHLLOKOSA-N -1 1 297.351 1.371 20 0 CDADMM Cc1ccnc(-c2noc(-c3ccc(-c4nn[n-]n4)o3)n2)c1 ZINC001605953416 1163725903 /nfs/dbraw/zinc/72/59/03/1163725903.db2.gz RWVCQVPXVGUZEJ-UHFFFAOYSA-N -1 1 295.262 1.880 20 0 CDADMM Cc1cnccc1Sc1cnc(-c2nnn[n-]2)cn1 ZINC001605986838 1163736276 /nfs/dbraw/zinc/73/62/76/1163736276.db2.gz WPYVBWBHAXEJPQ-UHFFFAOYSA-N -1 1 271.309 1.511 20 0 CDADMM Cc1nc(N[C@H]2C[C@H]2c2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001606062947 1163761936 /nfs/dbraw/zinc/76/19/36/1163761936.db2.gz JWAMDAMOBUMJNN-RYUDHWBXSA-N -1 1 293.334 1.933 20 0 CDADMM Cc1nc(N[C@H]2C[C@H]2c2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001606062947 1163761942 /nfs/dbraw/zinc/76/19/42/1163761942.db2.gz JWAMDAMOBUMJNN-RYUDHWBXSA-N -1 1 293.334 1.933 20 0 CDADMM Cc1ncsc1CNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001606075882 1163765910 /nfs/dbraw/zinc/76/59/10/1163765910.db2.gz FUNHXUDVFLFRLC-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Cc1ncsc1CNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001606075882 1163765915 /nfs/dbraw/zinc/76/59/15/1163765915.db2.gz FUNHXUDVFLFRLC-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Cc1nsc(N[C@H](C)[C@@H](C)CO)c1-c1nn[n-]n1 ZINC001606150503 1163788942 /nfs/dbraw/zinc/78/89/42/1163788942.db2.gz DENZRHROWPQTMD-NTSWFWBYSA-N -1 1 268.346 1.060 20 0 CDADMM Cc1nsc(NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001606162408 1163792511 /nfs/dbraw/zinc/79/25/11/1163792511.db2.gz PQEHPKCGEIQATH-UHFFFAOYSA-N -1 1 279.354 1.700 20 0 CDADMM O=C([O-])c1ccc(NC(=O)[C@H]2CCCc3[nH]ncc32)nc1 ZINC001606500414 1163916872 /nfs/dbraw/zinc/91/68/72/1163916872.db2.gz GULNIUPBAGDNGC-VIFPVBQESA-N -1 1 286.291 1.562 20 0 CDADMM O=C(NCCCC1CC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606763813 1163988531 /nfs/dbraw/zinc/98/85/31/1163988531.db2.gz LRVHSNPIHIAOOU-UHFFFAOYSA-N -1 1 287.327 1.573 20 0 CDADMM O=C(NCCCC1CC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606763813 1163988537 /nfs/dbraw/zinc/98/85/37/1163988537.db2.gz 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Cc1oc(C(=O)[O-])cc1CN1C[C@@H]2C[C@H]1CS2 ZINC001608036882 1164390012 /nfs/dbraw/zinc/39/00/12/1164390012.db2.gz HMAFNQQOXOYAAD-UWVGGRQHSA-N -1 1 253.323 1.976 20 0 CDADMM NC(=O)[C@H]1CCCN1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001608240692 1164464470 /nfs/dbraw/zinc/46/44/70/1164464470.db2.gz VSPJASPADHBKIH-CYBMUJFWSA-N -1 1 299.330 1.383 20 0 CDADMM O=C([O-])[C@@H](Cc1ccccc1)NCC(=O)Nc1ccccc1 ZINC001608338795 1164492507 /nfs/dbraw/zinc/49/25/07/1164492507.db2.gz CYCATIAIIWRVMJ-OAHLLOKOSA-N -1 1 298.342 1.911 20 0 CDADMM O=C([O-])[C@@H](N[C@H]1CCCn2nccc21)c1cccnc1 ZINC001608546013 1164539975 /nfs/dbraw/zinc/53/99/75/1164539975.db2.gz HHNHKJMKIMOBLD-AAEUAGOBSA-N -1 1 272.308 1.529 20 0 CDADMM O=C([O-])[C@@H](c1ccsc1)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001608560955 1164546631 /nfs/dbraw/zinc/54/66/31/1164546631.db2.gz GJTSKYANTCPCJT-QJPTWQEYSA-N -1 1 295.360 1.916 20 0 CDADMM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2nncs2)C1 ZINC001608580552 1164555516 /nfs/dbraw/zinc/55/55/16/1164555516.db2.gz 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/nfs/dbraw/zinc/86/65/37/1164866537.db2.gz VZFPHUITBTXJGP-UHFFFAOYSA-N -1 1 285.311 1.733 20 0 CDADMM Cc1cn2c(n1)CN(c1cc(C)nc(-c3nnn[n-]3)c1)CC2 ZINC001609405834 1164932451 /nfs/dbraw/zinc/93/24/51/1164932451.db2.gz ZZBUKAGICUENAE-UHFFFAOYSA-N -1 1 296.338 1.095 20 0 CDADMM Cc1cn2c(n1)CN(c1cc(C)nc(-c3nn[n-]n3)c1)CC2 ZINC001609405834 1164932453 /nfs/dbraw/zinc/93/24/53/1164932453.db2.gz ZZBUKAGICUENAE-UHFFFAOYSA-N -1 1 296.338 1.095 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@@H](C)C2CCC2)c1-c1nn[n-]n1 ZINC001609444303 1164950024 /nfs/dbraw/zinc/95/00/24/1164950024.db2.gz VBKMWCYYUDRRRL-LURJTMIESA-N -1 1 275.316 1.273 20 0 CDADMM CC(C)(C(=O)OCC1(CC(=O)[O-])CC1)N1CCCC1 ZINC001609652542 1165027798 /nfs/dbraw/zinc/02/77/98/1165027798.db2.gz YAZJVAILDLYSSR-UHFFFAOYSA-N -1 1 269.341 1.659 20 0 CDADMM C[C@@H](Cc1ccsc1)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001609750583 1165067139 /nfs/dbraw/zinc/06/71/39/1165067139.db2.gz PJGWZYOKCZDWGF-JQWIXIFHSA-N -1 1 296.392 1.344 20 0 CDADMM CCOC(=O)CN(CC1(CC(=O)[O-])CC1)C1CCC1 ZINC001610016254 1165186643 /nfs/dbraw/zinc/18/66/43/1165186643.db2.gz VDRDBDVACHJOJQ-UHFFFAOYSA-N -1 1 269.341 1.659 20 0 CDADMM CCc1occc1C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001610081566 1165209643 /nfs/dbraw/zinc/20/96/43/1165209643.db2.gz HQBKQPIHMIXRDT-LLVKDONJSA-N -1 1 294.351 1.463 20 0 CDADMM O=C([O-])c1cn(C2CN(C[C@@H]3C[C@@H]3c3ccccc3)C2)nn1 ZINC001610860627 1165463954 /nfs/dbraw/zinc/46/39/54/1165463954.db2.gz RDLGZRUTOCGGBI-GXTWGEPZSA-N -1 1 298.346 1.637 20 0 CDADMM O=C(Nc1nnc(-c2ccccn2)s1)c1ccc([O-])cn1 ZINC001625398160 1165906107 /nfs/dbraw/zinc/90/61/07/1165906107.db2.gz ZYTUPQRLAQNXQP-UHFFFAOYSA-N -1 1 299.315 1.953 20 0 CDADMM Cc1nc(CNC(=O)c2ccc([O-])cn2)nc2ccccc12 ZINC001626537128 1165943906 /nfs/dbraw/zinc/94/39/06/1165943906.db2.gz KEENBVNZGZHJJR-UHFFFAOYSA-N -1 1 294.314 1.969 20 0 CDADMM Cn1ccc2ccc(NC(=O)c3ccc([O-])cn3)cc2c1=O ZINC001627051690 1165974324 /nfs/dbraw/zinc/97/43/24/1165974324.db2.gz DYGNPQDAZPKPSX-UHFFFAOYSA-N -1 1 295.298 1.891 20 0 CDADMM CCOC(=O)C([O-])=Cc1c(F)c(F)c(OC)c(F)c1F ZINC000043504531 1166122946 /nfs/dbraw/zinc/12/29/46/1166122946.db2.gz YELJGSFHJRHLHV-UHFFFAOYSA-N -1 1 294.200 1.926 20 0 CDADMM C[C@@H](NC(=O)c1ccc(F)c([O-])c1)c1csnn1 ZINC001630169270 1166188620 /nfs/dbraw/zinc/18/86/20/1166188620.db2.gz CYMXYYVVTFLSEC-ZCFIWIBFSA-N -1 1 267.285 1.874 20 0 CDADMM O=C(NCc1nc([O-])cc(=O)[nH]1)c1ccc2ccccc2n1 ZINC001630646729 1166221588 /nfs/dbraw/zinc/22/15/88/1166221588.db2.gz OTMFPEFUENENKW-UHFFFAOYSA-N -1 1 296.286 1.366 20 0 CDADMM CCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000095175182 1166603621 /nfs/dbraw/zinc/60/36/21/1166603621.db2.gz MQPVZVWLVZJZOQ-UHFFFAOYSA-N -1 1 287.279 1.736 20 0 CDADMM CCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000095175182 1166603624 /nfs/dbraw/zinc/60/36/24/1166603624.db2.gz MQPVZVWLVZJZOQ-UHFFFAOYSA-N -1 1 287.279 1.736 20 0 CDADMM c1ccc(CSc2cncc(-c3nnn[n-]3)n2)cc1 ZINC000095249565 1166613112 /nfs/dbraw/zinc/61/31/12/1166613112.db2.gz UKUOVOBTMWYCRH-UHFFFAOYSA-N -1 1 270.321 1.949 20 0 CDADMM c1ccc(CSc2cncc(-c3nn[n-]n3)n2)cc1 ZINC000095249565 1166613115 /nfs/dbraw/zinc/61/31/15/1166613115.db2.gz UKUOVOBTMWYCRH-UHFFFAOYSA-N -1 1 270.321 1.949 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCc2ccccc2C)n1 ZINC000095344370 1166624560 /nfs/dbraw/zinc/62/45/60/1166624560.db2.gz BYJHGSHUUYEWJH-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCc2ccccc2C)n1 ZINC000095344370 1166624567 /nfs/dbraw/zinc/62/45/67/1166624567.db2.gz BYJHGSHUUYEWJH-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM CC(C)(C)N1CCN(C(=O)C2(C(=O)[O-])CCC2)CC1 ZINC000050291637 1166645478 /nfs/dbraw/zinc/64/54/78/1166645478.db2.gz CXZQZNQXECJZAX-UHFFFAOYSA-N -1 1 268.357 1.184 20 0 CDADMM O=C(NCc1cccc(=O)[nH]1)c1ccc(F)c([O-])c1 ZINC001637087163 1166722674 /nfs/dbraw/zinc/72/26/74/1166722674.db2.gz KPEPXBSYMMZZHW-UHFFFAOYSA-N -1 1 262.240 1.562 20 0 CDADMM Cn1nnc2cc(NC(=O)c3ccccc3[O-])ccc21 ZINC001639892085 1166974699 /nfs/dbraw/zinc/97/46/99/1166974699.db2.gz OAPIJVSOWFAILL-UHFFFAOYSA-N -1 1 268.276 1.926 20 0 CDADMM O=C(NCC1(F)CCOCC1)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155269936 1167113168 /nfs/dbraw/zinc/11/31/68/1167113168.db2.gz VRWYVTOKGLBBBO-UHFFFAOYSA-N -1 1 293.298 1.517 20 0 CDADMM NC1(c2noc([C@H]3CCC[C@H](C(=O)[O-])C3)n2)CCC1 ZINC001610643020 1168006052 /nfs/dbraw/zinc/00/60/52/1168006052.db2.gz LZDQYJJFYYEHLE-IUCAKERBSA-N -1 1 265.313 1.766 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@@]1(F)CCOC1 ZINC001647392838 1168640758 /nfs/dbraw/zinc/64/07/58/1168640758.db2.gz VAUKVNGPTDGTIO-CYBMUJFWSA-N -1 1 281.287 1.128 20 0 CDADMM CCn1cc(CN[C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)nn1 ZINC001647485997 1168757318 /nfs/dbraw/zinc/75/73/18/1168757318.db2.gz NWQFZQROJITTFK-PWSUYJOCSA-N -1 1 280.372 1.667 20 0 CDADMM CC(C)CO[C@H](C)C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001649691434 1169286333 /nfs/dbraw/zinc/28/63/33/1169286333.db2.gz JVLNSHXSTFAGTQ-SNVBAGLBSA-N -1 1 296.319 1.885 20 0 CDADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CC[C@@](O)(C2CC2)C1 ZINC001649940921 1169520695 /nfs/dbraw/zinc/52/06/95/1169520695.db2.gz OHGMFYYCLDXQMA-HNNXBMFYSA-N -1 1 295.766 1.962 20 0 CDADMM Cc1cc(OCC(=O)N(C)c2nn[n-]n2)ccc1Cl ZINC001649999044 1169585342 /nfs/dbraw/zinc/58/53/42/1169585342.db2.gz MENDRHONUOXLSM-UHFFFAOYSA-N -1 1 281.703 1.203 20 0 CDADMM C[C@@H](Cc1cnc[nH]1)C(=O)N1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC001573549233 1170688324 /nfs/dbraw/zinc/68/83/24/1170688324.db2.gz BPDWEFSLSOELQG-VLEJYLOPSA-N -1 1 291.351 1.443 20 0 CDADMM C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)Nc1c[nH]c(C(=O)[O-])n1 ZINC001573649695 1170721366 /nfs/dbraw/zinc/72/13/66/1170721366.db2.gz RBQPFJQGZNSTFD-LDWIPMOCSA-N -1 1 289.295 1.136 20 0 CDADMM CCc1nc(CN[C@H](CCCC(C)C)C(=O)[O-])n[nH]1 ZINC001573833626 1170796983 /nfs/dbraw/zinc/79/69/83/1170796983.db2.gz MFCLEUUFNZARHO-SNVBAGLBSA-N -1 1 268.361 1.736 20 0 CDADMM CN(Cc1cc(C(=O)[O-])n[nH]1)C[C@]12CCC[C@H]1OCC2 ZINC001573876433 1170815391 /nfs/dbraw/zinc/81/53/91/1170815391.db2.gz CZJAKQATMCMMCZ-TZMCWYRMSA-N -1 1 279.340 1.499 20 0 CDADMM COc1nc(C[N@H+]2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)ccc1C ZINC001574054244 1170873241 /nfs/dbraw/zinc/87/32/41/1170873241.db2.gz LHDAIELVTDGNEN-FRRDWIJNSA-N -1 1 276.336 1.551 20 0 CDADMM O=C([O-])[C@@H]1CCCCN1C(=O)c1c2[nH]cnc2ccc1F ZINC001574351893 1170955163 /nfs/dbraw/zinc/95/51/63/1170955163.db2.gz NJLSXSHHZAMMQD-JTQLQIEISA-N -1 1 291.282 1.781 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2C[C@@H]3CCCC[C@H]23)n1 ZINC001580756554 1172532023 /nfs/dbraw/zinc/53/20/23/1172532023.db2.gz YNZHOORAXDLKLB-GARJFASQSA-N -1 1 285.355 1.956 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2C[C@@H]3CCCC[C@H]23)n1 ZINC001580756554 1172532025 /nfs/dbraw/zinc/53/20/25/1172532025.db2.gz YNZHOORAXDLKLB-GARJFASQSA-N -1 1 285.355 1.956 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCCC[C@H]1F ZINC001581726957 1172619644 /nfs/dbraw/zinc/61/96/44/1172619644.db2.gz CEWGSWBHCZPMLY-NXEZZACHSA-N -1 1 293.302 1.779 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCCC[C@H]1F ZINC001581726957 1172619648 /nfs/dbraw/zinc/61/96/48/1172619648.db2.gz CEWGSWBHCZPMLY-NXEZZACHSA-N -1 1 293.302 1.779 20 0 CDADMM Cc1ccc(-c2cncc(C(=O)N(C)c3nn[n-]n3)c2)cc1 ZINC001587339735 1172981428 /nfs/dbraw/zinc/98/14/28/1172981428.db2.gz PEGVHUGPSFDYIE-UHFFFAOYSA-N -1 1 294.318 1.847 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NCC1=CCCCC1 ZINC001588384464 1173057792 /nfs/dbraw/zinc/05/77/92/1173057792.db2.gz PODFFKGETMIERP-UHFFFAOYSA-N -1 1 257.301 1.569 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NCC1=CCCCC1 ZINC001588384464 1173057798 /nfs/dbraw/zinc/05/77/98/1173057798.db2.gz PODFFKGETMIERP-UHFFFAOYSA-N -1 1 257.301 1.569 20 0 CDADMM C1=C[C@@H](Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CC1 ZINC001588389483 1173058925 /nfs/dbraw/zinc/05/89/25/1173058925.db2.gz VEZAATLAVIFKEM-SECBINFHSA-N -1 1 269.312 1.665 20 0 CDADMM C1=C[C@@H](Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CC1 ZINC001588389483 1173058933 /nfs/dbraw/zinc/05/89/33/1173058933.db2.gz VEZAATLAVIFKEM-SECBINFHSA-N -1 1 269.312 1.665 20 0 CDADMM CC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)o2)nc1 ZINC001588915924 1173113555 /nfs/dbraw/zinc/11/35/55/1173113555.db2.gz XNNPPGHOGOQJOF-UHFFFAOYSA-N -1 1 298.262 1.310 20 0 CDADMM CC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)nc1 ZINC001588915924 1173113560 /nfs/dbraw/zinc/11/35/60/1173113560.db2.gz XNNPPGHOGOQJOF-UHFFFAOYSA-N -1 1 298.262 1.310 20 0 CDADMM CC(C)[C@@H](O)COC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001589480015 1173148316 /nfs/dbraw/zinc/14/83/16/1173148316.db2.gz JBCWSEZSZIHFKO-JTQLQIEISA-N -1 1 294.286 1.180 20 0 CDADMM CC(C)[C@@H](O)COC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001589480015 1173148320 /nfs/dbraw/zinc/14/83/20/1173148320.db2.gz JBCWSEZSZIHFKO-JTQLQIEISA-N -1 1 294.286 1.180 20 0 CDADMM CC(C)[C@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001589507670 1173151592 /nfs/dbraw/zinc/15/15/92/1173151592.db2.gz ONENHYJLSFNCQR-JTQLQIEISA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)[C@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001589507670 1173151595 /nfs/dbraw/zinc/15/15/95/1173151595.db2.gz ONENHYJLSFNCQR-JTQLQIEISA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)[C@@H]1CCCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589509297 1173153924 /nfs/dbraw/zinc/15/39/24/1173153924.db2.gz ONIOCLQFBKQUKZ-LBPRGKRZSA-N -1 1 286.339 1.522 20 0 CDADMM CC(C)[C@@H]1CCCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589509297 1173153927 /nfs/dbraw/zinc/15/39/27/1173153927.db2.gz ONIOCLQFBKQUKZ-LBPRGKRZSA-N -1 1 286.339 1.522 20 0 CDADMM CC(C)OCCCN(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589749048 1173172951 /nfs/dbraw/zinc/17/29/51/1173172951.db2.gz ZYRLYDSAYREDME-UHFFFAOYSA-N -1 1 293.327 1.347 20 0 CDADMM CC(C)OCCCN(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589749048 1173172954 /nfs/dbraw/zinc/17/29/54/1173172954.db2.gz ZYRLYDSAYREDME-UHFFFAOYSA-N -1 1 293.327 1.347 20 0 CDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001589878619 1173193625 /nfs/dbraw/zinc/19/36/25/1173193625.db2.gz FLYMIXIODPLTJO-SNVBAGLBSA-N -1 1 281.323 1.872 20 0 CDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001589878619 1173193627 /nfs/dbraw/zinc/19/36/27/1173193627.db2.gz FLYMIXIODPLTJO-SNVBAGLBSA-N -1 1 281.323 1.872 20 0 CDADMM CC(C)n1cc([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001589988486 1173223505 /nfs/dbraw/zinc/22/35/05/1173223505.db2.gz ZVQWLMBALYPBMJ-SECBINFHSA-N -1 1 299.342 1.607 20 0 CDADMM CC(C)n1cc([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001589988486 1173223511 /nfs/dbraw/zinc/22/35/11/1173223511.db2.gz ZVQWLMBALYPBMJ-SECBINFHSA-N -1 1 299.342 1.607 20 0 CDADMM CC1(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CC=CC1 ZINC001590069020 1173242062 /nfs/dbraw/zinc/24/20/62/1173242062.db2.gz QYACNYZYTIGOLA-UHFFFAOYSA-N -1 1 289.364 1.901 20 0 CDADMM CC1(C)[C@@H](O)CCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001590078006 1173245322 /nfs/dbraw/zinc/24/53/22/1173245322.db2.gz SQUXZEBESMYEJD-QMMMGPOBSA-N -1 1 294.746 1.265 20 0 CDADMM CC1(C(=O)OCc2nc(-c3nnn[n-]3)cs2)CCC1 ZINC001590074966 1173247074 /nfs/dbraw/zinc/24/70/74/1173247074.db2.gz YFDWEWOONFNFKC-UHFFFAOYSA-N -1 1 279.325 1.557 20 0 CDADMM CC1(C(=O)OCc2nc(-c3nn[n-]n3)cs2)CCC1 ZINC001590074966 1173247088 /nfs/dbraw/zinc/24/70/88/1173247088.db2.gz YFDWEWOONFNFKC-UHFFFAOYSA-N -1 1 279.325 1.557 20 0 CDADMM C[C@@]1(C(F)(F)F)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590072072 1173247196 /nfs/dbraw/zinc/24/71/96/1173247196.db2.gz CSDVCCNLAJALBD-SNVBAGLBSA-N -1 1 299.260 1.435 20 0 CDADMM CC1(C)C[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)C(C)(C)O1 ZINC001590083708 1173249214 /nfs/dbraw/zinc/24/92/14/1173249214.db2.gz JPBCAWQXVILAJP-LLVKDONJSA-N -1 1 288.355 1.442 20 0 CDADMM CC1(C)C[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)C(C)(C)O1 ZINC001590083708 1173249215 /nfs/dbraw/zinc/24/92/15/1173249215.db2.gz JPBCAWQXVILAJP-LLVKDONJSA-N -1 1 288.355 1.442 20 0 CDADMM CC1(C)CC(COc2cnc(-c3nn[n-]n3)nc2)C1 ZINC001590081213 1173249878 /nfs/dbraw/zinc/24/98/78/1173249878.db2.gz TWVDSWOXBDCXPD-UHFFFAOYSA-N -1 1 260.301 1.472 20 0 CDADMM CC1(C)CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)OC1 ZINC001590090943 1173255230 /nfs/dbraw/zinc/25/52/30/1173255230.db2.gz RBFIPJCTGHVKMS-VIFPVBQESA-N -1 1 289.343 1.274 20 0 CDADMM CC1(C)CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)OC1 ZINC001590090943 1173255239 /nfs/dbraw/zinc/25/52/39/1173255239.db2.gz RBFIPJCTGHVKMS-VIFPVBQESA-N -1 1 289.343 1.274 20 0 CDADMM CC1(C)CN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC001590105863 1173258972 /nfs/dbraw/zinc/25/89/72/1173258972.db2.gz JKFGFNIIIOBMIG-UHFFFAOYSA-N -1 1 281.323 1.656 20 0 CDADMM CC1(C)CN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001590105863 1173258976 /nfs/dbraw/zinc/25/89/76/1173258976.db2.gz JKFGFNIIIOBMIG-UHFFFAOYSA-N -1 1 281.323 1.656 20 0 CDADMM CC1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC001590133101 1173267663 /nfs/dbraw/zinc/26/76/63/1173267663.db2.gz YWMJWTQQAUWXBS-UHFFFAOYSA-N -1 1 299.381 1.007 20 0 CDADMM CC1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC001590133101 1173267668 /nfs/dbraw/zinc/26/76/68/1173267668.db2.gz YWMJWTQQAUWXBS-UHFFFAOYSA-N -1 1 299.381 1.007 20 0 CDADMM C[C@H]1C[C@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC001590188630 1173284868 /nfs/dbraw/zinc/28/48/68/1173284868.db2.gz RZHRJVGAQHFTSK-BRPSZJMVSA-N -1 1 289.343 1.601 20 0 CDADMM C[C@H]1C[C@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC001590188630 1173284874 /nfs/dbraw/zinc/28/48/74/1173284874.db2.gz RZHRJVGAQHFTSK-BRPSZJMVSA-N -1 1 289.343 1.601 20 0 CDADMM CC1CC(COc2ccc(F)nc2-c2nnn[n-]2)C1 ZINC001590194924 1173289421 /nfs/dbraw/zinc/28/94/21/1173289421.db2.gz ZRGGQBRKKKQJKB-UHFFFAOYSA-N -1 1 263.276 1.826 20 0 CDADMM CC1CC(COc2ccc(F)nc2-c2nn[n-]n2)C1 ZINC001590194924 1173289426 /nfs/dbraw/zinc/28/94/26/1173289426.db2.gz ZRGGQBRKKKQJKB-UHFFFAOYSA-N -1 1 263.276 1.826 20 0 CDADMM C[C@H]1C[C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)CCS1 ZINC001590202707 1173290875 /nfs/dbraw/zinc/29/08/75/1173290875.db2.gz HKFVWSYUZALJDF-IONNQARKSA-N -1 1 293.352 1.474 20 0 CDADMM C[C@H]1C[C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)CCS1 ZINC001590202707 1173290877 /nfs/dbraw/zinc/29/08/77/1173290877.db2.gz HKFVWSYUZALJDF-IONNQARKSA-N -1 1 293.352 1.474 20 0 CDADMM C[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CCS1 ZINC001590212335 1173295854 /nfs/dbraw/zinc/29/58/54/1173295854.db2.gz QTSPKKSSILZAFU-JGVFFNPUSA-N -1 1 277.357 1.353 20 0 CDADMM C[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CCS1 ZINC001590212335 1173295862 /nfs/dbraw/zinc/29/58/62/1173295862.db2.gz QTSPKKSSILZAFU-JGVFFNPUSA-N -1 1 277.357 1.353 20 0 CDADMM C[C@H]1C[C@H]1c1noc(-c2coc(-c3nnn[n-]3)c2)n1 ZINC001590220510 1173301757 /nfs/dbraw/zinc/30/17/57/1173301757.db2.gz PUVOPGYNFWOBLM-CAHLUQPWSA-N -1 1 258.241 1.633 20 0 CDADMM C[C@H]1C[C@H]1c1noc(-c2coc(-c3nn[n-]n3)c2)n1 ZINC001590220510 1173301765 /nfs/dbraw/zinc/30/17/65/1173301765.db2.gz PUVOPGYNFWOBLM-CAHLUQPWSA-N -1 1 258.241 1.633 20 0 CDADMM CCC(F)(F)CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590451254 1173414690 /nfs/dbraw/zinc/41/46/90/1173414690.db2.gz BTOPEZPEGYAUSJ-UHFFFAOYSA-N -1 1 282.254 1.037 20 0 CDADMM CCC(F)(F)CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590451254 1173414692 /nfs/dbraw/zinc/41/46/92/1173414692.db2.gz BTOPEZPEGYAUSJ-UHFFFAOYSA-N -1 1 282.254 1.037 20 0 CDADMM CC[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)[C@H]1C ZINC001590515074 1173446509 /nfs/dbraw/zinc/44/65/09/1173446509.db2.gz VIPFCZMKJPMZBO-VHSXEESVSA-N -1 1 258.329 1.887 20 0 CDADMM CC[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)[C@H]1C ZINC001590515074 1173446511 /nfs/dbraw/zinc/44/65/11/1173446511.db2.gz VIPFCZMKJPMZBO-VHSXEESVSA-N -1 1 258.329 1.887 20 0 CDADMM CC/C=C\CNS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001590533030 1173455500 /nfs/dbraw/zinc/45/55/00/1173455500.db2.gz ZIWBHFMMHGZUDN-ARJAWSKDSA-N -1 1 299.381 1.173 20 0 CDADMM CCC[C@@H]1C[C@H]1C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001590654235 1173483514 /nfs/dbraw/zinc/48/35/14/1173483514.db2.gz XAGHJQLJLNUHRK-HTQZYQBOSA-N -1 1 275.316 1.273 20 0 CDADMM CCN(C[C@@H](C)OC)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590680961 1173488413 /nfs/dbraw/zinc/48/84/13/1173488413.db2.gz NSEIZVBVSBMUOO-MRVPVSSYSA-N -1 1 295.368 1.425 20 0 CDADMM CCNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001590746009 1173505413 /nfs/dbraw/zinc/50/54/13/1173505413.db2.gz DRIBIZCVDHPADT-UHFFFAOYSA-N -1 1 258.207 1.712 20 0 CDADMM CCNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001590746009 1173505417 /nfs/dbraw/zinc/50/54/17/1173505417.db2.gz DRIBIZCVDHPADT-UHFFFAOYSA-N -1 1 258.207 1.712 20 0 CDADMM CCOCC(=O)CSc1cccc(F)c1-c1nn[n-]n1 ZINC001590797179 1173513831 /nfs/dbraw/zinc/51/38/31/1173513831.db2.gz KRLZNLGLJGPCNV-UHFFFAOYSA-N -1 1 296.327 1.704 20 0 CDADMM CCOC[C@@H]1CCN(c2nc(-c3nn[n-]n3)ccc2C)C1 ZINC001590802079 1173516372 /nfs/dbraw/zinc/51/63/72/1173516372.db2.gz YENXAUHOAVHLAZ-LLVKDONJSA-N -1 1 288.355 1.433 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](C)[C@@H](C)C2)n1 ZINC001590905674 1173539222 /nfs/dbraw/zinc/53/92/22/1173539222.db2.gz JXHXRONUYOOJPR-ZJUUUORDSA-N -1 1 287.371 1.701 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](C)[C@@H](C)C2)n1 ZINC001590905674 1173539226 /nfs/dbraw/zinc/53/92/26/1173539226.db2.gz JXHXRONUYOOJPR-ZJUUUORDSA-N -1 1 287.371 1.701 20 0 CDADMM CCc1nc(N[C@H]2CSC[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001590917042 1173542020 /nfs/dbraw/zinc/54/20/20/1173542020.db2.gz ZYMAQJKNCJTHDM-APPZFPTMSA-N -1 1 291.384 1.383 20 0 CDADMM CCc1ocnc1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590940069 1173547043 /nfs/dbraw/zinc/54/70/43/1173547043.db2.gz ZLDDNALHMQZSPR-UHFFFAOYSA-N -1 1 285.267 1.064 20 0 CDADMM CCc1ocnc1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590940069 1173547048 /nfs/dbraw/zinc/54/70/48/1173547048.db2.gz ZLDDNALHMQZSPR-UHFFFAOYSA-N -1 1 285.267 1.064 20 0 CDADMM CN(C)C(=O)CSc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001591003924 1173560254 /nfs/dbraw/zinc/56/02/54/1173560254.db2.gz NVOSDWPGSZHNCD-UHFFFAOYSA-N -1 1 298.759 1.095 20 0 CDADMM CN(C)C(=O)CSc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001591003924 1173560260 /nfs/dbraw/zinc/56/02/60/1173560260.db2.gz NVOSDWPGSZHNCD-UHFFFAOYSA-N -1 1 298.759 1.095 20 0 CDADMM CN(C(=O)c1coc(-c2nnn[n-]2)c1)C1CC(C)(C)C1 ZINC001590998568 1173560762 /nfs/dbraw/zinc/56/07/62/1173560762.db2.gz PTKKPSPWRFYLHQ-UHFFFAOYSA-N -1 1 275.312 1.720 20 0 CDADMM CN(C(=O)c1coc(-c2nn[n-]n2)c1)C1CC(C)(C)C1 ZINC001590998568 1173560767 /nfs/dbraw/zinc/56/07/67/1173560767.db2.gz PTKKPSPWRFYLHQ-UHFFFAOYSA-N -1 1 275.312 1.720 20 0 CDADMM CN(Cc1cc[nH]n1)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001591134127 1173574067 /nfs/dbraw/zinc/57/40/67/1173574067.db2.gz QZLWNPXJYFNOLR-UHFFFAOYSA-N -1 1 296.747 1.336 20 0 CDADMM CN(Cc1cc[nH]n1)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591134127 1173574069 /nfs/dbraw/zinc/57/40/69/1173574069.db2.gz QZLWNPXJYFNOLR-UHFFFAOYSA-N -1 1 296.747 1.336 20 0 CDADMM COC1(C)CN(Cc2csc(-c3nn[n-]n3)c2)C1 ZINC001591340502 1173617644 /nfs/dbraw/zinc/61/76/44/1173617644.db2.gz VFGHFYPQAMJDNI-UHFFFAOYSA-N -1 1 265.342 1.149 20 0 CDADMM CO[C@H]1CN(c2cc(C)cc(-c3nnn[n-]3)n2)CC[C@@H]1C ZINC001591362650 1173631769 /nfs/dbraw/zinc/63/17/69/1173631769.db2.gz RHVCPDJQNSPHHA-JQWIXIFHSA-N -1 1 288.355 1.431 20 0 CDADMM CO[C@H]1CN(c2cc(C)cc(-c3nn[n-]n3)n2)CC[C@@H]1C ZINC001591362650 1173631775 /nfs/dbraw/zinc/63/17/75/1173631775.db2.gz RHVCPDJQNSPHHA-JQWIXIFHSA-N -1 1 288.355 1.431 20 0 CDADMM COc1cccc(CNc2n[nH]c(C)c2-c2nnn[n-]2)c1 ZINC001591639788 1173675374 /nfs/dbraw/zinc/67/53/74/1173675374.db2.gz RHUFPVXAZGMUBP-UHFFFAOYSA-N -1 1 285.311 1.519 20 0 CDADMM COc1cccc(CNc2n[nH]c(C)c2-c2nn[n-]n2)c1 ZINC001591639788 1173675394 /nfs/dbraw/zinc/67/53/94/1173675394.db2.gz RHUFPVXAZGMUBP-UHFFFAOYSA-N -1 1 285.311 1.519 20 0 CDADMM CS[C@H](C)[C@@H](C)OC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591687769 1173679050 /nfs/dbraw/zinc/67/90/50/1173679050.db2.gz WNULAMCIPYLEQG-HTQZYQBOSA-N -1 1 293.352 1.559 20 0 CDADMM CS[C@H](C)[C@@H](C)OC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591687769 1173679054 /nfs/dbraw/zinc/67/90/54/1173679054.db2.gz WNULAMCIPYLEQG-HTQZYQBOSA-N -1 1 293.352 1.559 20 0 CDADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@@H]2CC[C@H](C)C2)nn1C ZINC001591798680 1173706907 /nfs/dbraw/zinc/70/69/07/1173706907.db2.gz MQGDCBIGFGDJBQ-IONNQARKSA-N -1 1 289.343 1.283 20 0 CDADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@@H]2CC[C@H](C)C2)nn1C ZINC001591798680 1173706911 /nfs/dbraw/zinc/70/69/11/1173706911.db2.gz MQGDCBIGFGDJBQ-IONNQARKSA-N -1 1 289.343 1.283 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCOC2(C)C)n1 ZINC001591895935 1173740910 /nfs/dbraw/zinc/74/09/10/1173740910.db2.gz CEBSXYFHRWQPJX-VIFPVBQESA-N -1 1 289.343 1.192 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCOC2(C)C)n1 ZINC001591895935 1173740913 /nfs/dbraw/zinc/74/09/13/1173740913.db2.gz CEBSXYFHRWQPJX-VIFPVBQESA-N -1 1 289.343 1.192 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCCC[C@H]2CCOC2)n1 ZINC001591899191 1173744541 /nfs/dbraw/zinc/74/45/41/1173744541.db2.gz YXDLKZGKGOVJMK-JTQLQIEISA-N -1 1 289.343 1.194 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCCC[C@H]2CCOC2)n1 ZINC001591899191 1173744544 /nfs/dbraw/zinc/74/45/44/1173744544.db2.gz YXDLKZGKGOVJMK-JTQLQIEISA-N -1 1 289.343 1.194 20 0 CDADMM Cc1ccc(CNc2nc(C)cc(-c3nnn[n-]3)n2)o1 ZINC001591900732 1173745005 /nfs/dbraw/zinc/74/50/05/1173745005.db2.gz MKPIFLTWYWMIFQ-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1ccc(CNc2nc(C)cc(-c3nn[n-]n3)n2)o1 ZINC001591900732 1173745014 /nfs/dbraw/zinc/74/50/14/1173745014.db2.gz MKPIFLTWYWMIFQ-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1ccc(CN(C)c2cncc(-c3nnn[n-]3)n2)cc1C ZINC001592152432 1173811948 /nfs/dbraw/zinc/81/19/48/1173811948.db2.gz MZZXBWIPKKDRAM-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccc(CN(C)c2cncc(-c3nn[n-]n3)n2)cc1C ZINC001592152432 1173811958 /nfs/dbraw/zinc/81/19/58/1173811958.db2.gz MZZXBWIPKKDRAM-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccc(N(C)CCC2CC2)nc1-c1nnn[n-]1 ZINC001592174860 1173823003 /nfs/dbraw/zinc/82/30/03/1173823003.db2.gz FBFKJCSSUPYVEO-UHFFFAOYSA-N -1 1 258.329 1.806 20 0 CDADMM Cc1ccc(N(C)CCC2CC2)nc1-c1nn[n-]n1 ZINC001592174860 1173823007 /nfs/dbraw/zinc/82/30/07/1173823007.db2.gz FBFKJCSSUPYVEO-UHFFFAOYSA-N -1 1 258.329 1.806 20 0 CDADMM Cc1ccn(CN2C[C@H](C)C[C@H]2C)c(=O)c1-c1nnn[n-]1 ZINC001592268024 1173839037 /nfs/dbraw/zinc/83/90/37/1173839037.db2.gz WFONKRFGYCOXNG-MWLCHTKSSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccccc1CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001592257716 1173839669 /nfs/dbraw/zinc/83/96/69/1173839669.db2.gz KGDDEEKWPDDXGZ-UHFFFAOYSA-N -1 1 295.350 1.644 20 0 CDADMM Cc1ccccc1CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001592257716 1173839673 /nfs/dbraw/zinc/83/96/73/1173839673.db2.gz KGDDEEKWPDDXGZ-UHFFFAOYSA-N -1 1 295.350 1.644 20 0 CDADMM Cc1cnc(CNc2cnc(-c3nnn[n-]3)cn2)s1 ZINC001592293824 1173848355 /nfs/dbraw/zinc/84/83/55/1173848355.db2.gz LLQOZSOCCKOTPG-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM Cc1cnc(CNc2cnc(-c3nn[n-]n3)cn2)s1 ZINC001592293824 1173848362 /nfs/dbraw/zinc/84/83/62/1173848362.db2.gz LLQOZSOCCKOTPG-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM Cc1cncnc1NCc1ccc(-c2nn[n-]n2)s1 ZINC001592301659 1173851311 /nfs/dbraw/zinc/85/13/11/1173851311.db2.gz PVBQJIUFIAXCEF-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@@H]2CCC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001592327116 1173854276 /nfs/dbraw/zinc/85/42/76/1173854276.db2.gz CMPACWNJQLPWRW-VXNVDRBHSA-N -1 1 289.343 1.663 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2C[C@H](C)[C@H](C)C2)n1 ZINC001592337622 1173858763 /nfs/dbraw/zinc/85/87/63/1173858763.db2.gz MCGALANHTMPELR-OCAPTIKFSA-N -1 1 259.317 1.057 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2C[C@H](C)[C@H](C)C2)n1 ZINC001592337622 1173858769 /nfs/dbraw/zinc/85/87/69/1173858769.db2.gz MCGALANHTMPELR-OCAPTIKFSA-N -1 1 259.317 1.057 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@H](C(C)(C)C)C2)n1 ZINC001592337271 1173859415 /nfs/dbraw/zinc/85/94/15/1173859415.db2.gz DJFHHXRZSAFITQ-JTQLQIEISA-N -1 1 287.371 1.838 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@H](C(C)(C)C)C2)n1 ZINC001592337271 1173859419 /nfs/dbraw/zinc/85/94/19/1173859419.db2.gz DJFHHXRZSAFITQ-JTQLQIEISA-N -1 1 287.371 1.838 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2C[C@@H](C)CC[C@@H]2C)n1 ZINC001592337881 1173859645 /nfs/dbraw/zinc/85/96/45/1173859645.db2.gz QKHZKVGLCCLJFD-IUCAKERBSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(CC(=O)Cc2ccccc2)c1C ZINC001592339344 1173860218 /nfs/dbraw/zinc/86/02/18/1173860218.db2.gz IKOQJDCYZOGAKB-UHFFFAOYSA-N -1 1 296.334 1.492 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(CC(=O)Cc2ccccc2)c1C ZINC001592339344 1173860223 /nfs/dbraw/zinc/86/02/23/1173860223.db2.gz IKOQJDCYZOGAKB-UHFFFAOYSA-N -1 1 296.334 1.492 20 0 CDADMM Cc1nc(N[C@H]2CSC[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592383680 1173875550 /nfs/dbraw/zinc/87/55/50/1173875550.db2.gz FUPPPJUABYPLRK-RCOVLWMOSA-N -1 1 277.357 1.129 20 0 CDADMM Cc1nc(N[C@H]2CSC[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592383680 1173875554 /nfs/dbraw/zinc/87/55/54/1173875554.db2.gz FUPPPJUABYPLRK-RCOVLWMOSA-N -1 1 277.357 1.129 20 0 CDADMM Cc1ncccc1CCNc1nccnc1-c1nnn[n-]1 ZINC001592417595 1173885403 /nfs/dbraw/zinc/88/54/03/1173885403.db2.gz LBCQTBDNDICXLS-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1ncccc1CCNc1nccnc1-c1nn[n-]n1 ZINC001592417595 1173885406 /nfs/dbraw/zinc/88/54/06/1173885406.db2.gz LBCQTBDNDICXLS-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1ncoc1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001592422915 1173886379 /nfs/dbraw/zinc/88/63/79/1173886379.db2.gz BSBLJDBWJYGGKF-UHFFFAOYSA-N -1 1 291.292 1.582 20 0 CDADMM Cc1ncoc1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001592422915 1173886381 /nfs/dbraw/zinc/88/63/81/1173886381.db2.gz BSBLJDBWJYGGKF-UHFFFAOYSA-N -1 1 291.292 1.582 20 0 CDADMM Cc1ncsc1CN(C)c1ccnc(-c2nnn[n-]2)c1 ZINC001592424793 1173886737 /nfs/dbraw/zinc/88/67/37/1173886737.db2.gz HLNPXGVJSQSLQJ-UHFFFAOYSA-N -1 1 287.352 1.663 20 0 CDADMM Cc1ncsc1CN(C)c1ccnc(-c2nn[n-]n2)c1 ZINC001592424793 1173886750 /nfs/dbraw/zinc/88/67/50/1173886750.db2.gz HLNPXGVJSQSLQJ-UHFFFAOYSA-N -1 1 287.352 1.663 20 0 CDADMM Cc1nsc(N[C@@H]2C[C@H]3CC[C@@H]2O3)c1-c1nn[n-]n1 ZINC001592493691 1173906164 /nfs/dbraw/zinc/90/61/64/1173906164.db2.gz AOXZVPOWIWEKLH-PRJMDXOYSA-N -1 1 278.341 1.363 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC(C)(C)C1CC1 ZINC001592500270 1173907352 /nfs/dbraw/zinc/90/73/52/1173907352.db2.gz WDCIONMHUFSSDP-UHFFFAOYSA-N -1 1 275.312 1.687 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC(C)(C)C1CC1 ZINC001592500270 1173907359 /nfs/dbraw/zinc/90/73/59/1173907359.db2.gz WDCIONMHUFSSDP-UHFFFAOYSA-N -1 1 275.312 1.687 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC001592501675 1173908691 /nfs/dbraw/zinc/90/86/91/1173908691.db2.gz SZIKAEHVDNYJMJ-VHSXEESVSA-N -1 1 273.296 1.296 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC001592501675 1173908695 /nfs/dbraw/zinc/90/86/95/1173908695.db2.gz SZIKAEHVDNYJMJ-VHSXEESVSA-N -1 1 273.296 1.296 20 0 CDADMM Fc1ccc2c(c1)CCN(c1cc(-c3nnn[n-]3)ncn1)C2 ZINC001592654507 1173955146 /nfs/dbraw/zinc/95/51/46/1173955146.db2.gz LLBSVIOFHOXUDH-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM Fc1ccc2c(c1)CCN(c1cc(-c3nn[n-]n3)ncn1)C2 ZINC001592654507 1173955151 /nfs/dbraw/zinc/95/51/51/1173955151.db2.gz LLBSVIOFHOXUDH-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM Fc1cccc2c1CC[C@H]2Nc1ccnc(-c2nnn[n-]2)c1 ZINC001592660514 1173958912 /nfs/dbraw/zinc/95/89/12/1173958912.db2.gz CSFSZRZVPFPHKN-CYBMUJFWSA-N -1 1 296.309 1.922 20 0 CDADMM Fc1cccc2c1CC[C@H]2Nc1ccnc(-c2nn[n-]n2)c1 ZINC001592660514 1173958919 /nfs/dbraw/zinc/95/89/19/1173958919.db2.gz CSFSZRZVPFPHKN-CYBMUJFWSA-N -1 1 296.309 1.922 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCC1CCCCC1 ZINC001592753503 1173985975 /nfs/dbraw/zinc/98/59/75/1173985975.db2.gz ULFMFHJQFZHETN-UHFFFAOYSA-N -1 1 289.343 1.646 20 0 CDADMM O=C(CC[C@H]1CCOC1)OCc1ccc(-c2nnn[n-]2)o1 ZINC001592833705 1173996044 /nfs/dbraw/zinc/99/60/44/1173996044.db2.gz ROAHPEJHGZTKQG-VIFPVBQESA-N -1 1 292.295 1.320 20 0 CDADMM O=C(CC[C@H]1CCOC1)OCc1ccc(-c2nn[n-]n2)o1 ZINC001592833705 1173996051 /nfs/dbraw/zinc/99/60/51/1173996051.db2.gz ROAHPEJHGZTKQG-VIFPVBQESA-N -1 1 292.295 1.320 20 0 CDADMM O=C(NCCCF)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593069233 1174020938 /nfs/dbraw/zinc/02/09/38/1174020938.db2.gz YYYGKFTUCDSMHN-UHFFFAOYSA-N -1 1 288.286 1.437 20 0 CDADMM O=C(N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(-c2nnn[n-]2)o1 ZINC001593180024 1174028631 /nfs/dbraw/zinc/02/86/31/1174028631.db2.gz KXWDDGDLWNMJRX-RFZPGFLSSA-N -1 1 287.201 1.140 20 0 CDADMM O=C(N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(-c2nn[n-]n2)o1 ZINC001593180024 1174028637 /nfs/dbraw/zinc/02/86/37/1174028637.db2.gz KXWDDGDLWNMJRX-RFZPGFLSSA-N -1 1 287.201 1.140 20 0 CDADMM O=C(Nc1ccc(F)nn1)c1csc(-c2nn[n-]n2)c1 ZINC001593234600 1174038219 /nfs/dbraw/zinc/03/82/19/1174038219.db2.gz LUESUUCNLCWVHW-UHFFFAOYSA-N -1 1 291.271 1.110 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1ccc(CF)cc1 ZINC001593245575 1174040609 /nfs/dbraw/zinc/04/06/09/1174040609.db2.gz VZUXXABOPVGMOZ-UHFFFAOYSA-N -1 1 298.281 1.984 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1ccc(CF)cc1 ZINC001593245575 1174040616 /nfs/dbraw/zinc/04/06/16/1174040616.db2.gz VZUXXABOPVGMOZ-UHFFFAOYSA-N -1 1 298.281 1.984 20 0 CDADMM O=C(OCCOC1CC1)c1csc(-c2nnn[n-]2)c1 ZINC001593290208 1174053636 /nfs/dbraw/zinc/05/36/36/1174053636.db2.gz HFXWKJFCHXVSTL-UHFFFAOYSA-N -1 1 280.309 1.264 20 0 CDADMM O=C(OCCOC1CC1)c1csc(-c2nn[n-]n2)c1 ZINC001593290208 1174053643 /nfs/dbraw/zinc/05/36/43/1174053643.db2.gz HFXWKJFCHXVSTL-UHFFFAOYSA-N -1 1 280.309 1.264 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC001593339104 1174068202 /nfs/dbraw/zinc/06/82/02/1174068202.db2.gz NEOYQQUPZBLBDS-AOOOYVTPSA-N -1 1 287.323 1.722 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC001593339104 1174068215 /nfs/dbraw/zinc/06/82/15/1174068215.db2.gz NEOYQQUPZBLBDS-AOOOYVTPSA-N -1 1 287.323 1.722 20 0 CDADMM O[C@@H](CCNc1cc(-c2nnn[n-]2)ncn1)c1ccccc1 ZINC001593500884 1174090207 /nfs/dbraw/zinc/09/02/07/1174090207.db2.gz JBTDGKOZPOTPPW-LBPRGKRZSA-N -1 1 297.322 1.192 20 0 CDADMM O[C@@H](CCNc1cc(-c2nn[n-]n2)ncn1)c1ccccc1 ZINC001593500884 1174090216 /nfs/dbraw/zinc/09/02/16/1174090216.db2.gz JBTDGKOZPOTPPW-LBPRGKRZSA-N -1 1 297.322 1.192 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1CCOCC1CCCC1 ZINC001593496735 1174090880 /nfs/dbraw/zinc/09/08/80/1174090880.db2.gz VCHIJKWGUJMOJH-UHFFFAOYSA-N -1 1 289.339 1.235 20 0 CDADMM OCc1csc(Sc2cccc(-c3nnn[n-]3)n2)n1 ZINC001593536305 1174109959 /nfs/dbraw/zinc/10/99/59/1174109959.db2.gz WEGVWBRNBCWDFN-UHFFFAOYSA-N -1 1 292.349 1.362 20 0 CDADMM OCc1csc(Sc2cccc(-c3nn[n-]n3)n2)n1 ZINC001593536305 1174109966 /nfs/dbraw/zinc/10/99/66/1174109966.db2.gz WEGVWBRNBCWDFN-UHFFFAOYSA-N -1 1 292.349 1.362 20 0 CDADMM c1c(-c2nn[n-]n2)nnn1CCCCC1CCOCC1 ZINC001593543335 1174112329 /nfs/dbraw/zinc/11/23/29/1174112329.db2.gz KLZICNKYTUNPMZ-UHFFFAOYSA-N -1 1 277.332 1.055 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC[C@H]1CC2(CCC2)CO1 ZINC001593550871 1174122826 /nfs/dbraw/zinc/12/28/26/1174122826.db2.gz DARLZULWKFFJQE-SECBINFHSA-N -1 1 287.327 1.028 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC[C@H]1CC2(CCC2)CO1 ZINC001593550871 1174122836 /nfs/dbraw/zinc/12/28/36/1174122836.db2.gz DARLZULWKFFJQE-SECBINFHSA-N -1 1 287.327 1.028 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001593551818 1174122983 /nfs/dbraw/zinc/12/29/83/1174122983.db2.gz QPZCWSFOORWLIP-HRDYMLBCSA-N -1 1 257.301 1.257 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001593551818 1174122998 /nfs/dbraw/zinc/12/29/98/1174122998.db2.gz QPZCWSFOORWLIP-HRDYMLBCSA-N -1 1 257.301 1.257 20 0 CDADMM c1cc(CCNc2cncc(-c3nnn[n-]3)n2)cs1 ZINC001593552948 1174125977 /nfs/dbraw/zinc/12/59/77/1174125977.db2.gz BNHLWSHCMLQBBD-UHFFFAOYSA-N -1 1 273.325 1.373 20 0 CDADMM c1cc(CCNc2cncc(-c3nn[n-]n3)n2)cs1 ZINC001593552948 1174125984 /nfs/dbraw/zinc/12/59/84/1174125984.db2.gz BNHLWSHCMLQBBD-UHFFFAOYSA-N -1 1 273.325 1.373 20 0 CDADMM c1cc(N2CC[C@@H]([C@H]3CCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001593557647 1174130872 /nfs/dbraw/zinc/13/08/72/1174130872.db2.gz QBXUVBFRFLDADK-MNOVXSKESA-N -1 1 286.339 1.125 20 0 CDADMM c1cc(N2CC[C@@H]([C@H]3CCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001593557647 1174130873 /nfs/dbraw/zinc/13/08/73/1174130873.db2.gz QBXUVBFRFLDADK-MNOVXSKESA-N -1 1 286.339 1.125 20 0 CDADMM c1cc(CNc2cncc(-c3nnn[n-]3)n2)cs1 ZINC001593557337 1174130879 /nfs/dbraw/zinc/13/08/79/1174130879.db2.gz PZOZUZBJORCGKF-UHFFFAOYSA-N -1 1 259.298 1.330 20 0 CDADMM c1cc(CNc2cncc(-c3nn[n-]n3)n2)cs1 ZINC001593557337 1174130881 /nfs/dbraw/zinc/13/08/81/1174130881.db2.gz PZOZUZBJORCGKF-UHFFFAOYSA-N -1 1 259.298 1.330 20 0 CDADMM c1cc2c(c(Oc3ccc(-c4nnn[n-]4)nn3)c1)OCC2 ZINC001593567315 1174143180 /nfs/dbraw/zinc/14/31/80/1174143180.db2.gz XRCFAOMCRNQTJT-UHFFFAOYSA-N -1 1 282.263 1.384 20 0 CDADMM c1cc2c(c(Oc3ccc(-c4nn[n-]n4)nn3)c1)OCC2 ZINC001593567315 1174143184 /nfs/dbraw/zinc/14/31/84/1174143184.db2.gz XRCFAOMCRNQTJT-UHFFFAOYSA-N -1 1 282.263 1.384 20 0 CDADMM c1ccc2c(c1)CO[C@@H]2CNc1nccnc1-c1nnn[n-]1 ZINC001593579403 1174145383 /nfs/dbraw/zinc/14/53/83/1174145383.db2.gz GELSHNXDFSSQII-LLVKDONJSA-N -1 1 295.306 1.340 20 0 CDADMM c1ccc2c(c1)CO[C@@H]2CNc1nccnc1-c1nn[n-]n1 ZINC001593579403 1174145391 /nfs/dbraw/zinc/14/53/91/1174145391.db2.gz GELSHNXDFSSQII-LLVKDONJSA-N -1 1 295.306 1.340 20 0 CDADMM c1ccc(NCCNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001593576761 1174145727 /nfs/dbraw/zinc/14/57/27/1174145727.db2.gz JYUWMYIWFKCHNO-UHFFFAOYSA-N -1 1 282.311 1.181 20 0 CDADMM c1ccc(NCCNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001593576761 1174145731 /nfs/dbraw/zinc/14/57/31/1174145731.db2.gz JYUWMYIWFKCHNO-UHFFFAOYSA-N -1 1 282.311 1.181 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@@H]2CCC[C@H]2C2CC2)n1 ZINC001593582900 1174149238 /nfs/dbraw/zinc/14/92/38/1174149238.db2.gz DWTRPRZRAXYLRF-QWRGUYRKSA-N -1 1 285.355 1.895 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@@H]2CCC[C@H]2C2CC2)n1 ZINC001593582900 1174149241 /nfs/dbraw/zinc/14/92/41/1174149241.db2.gz DWTRPRZRAXYLRF-QWRGUYRKSA-N -1 1 285.355 1.895 20 0 CDADMM c1cnn(C2CCN(c3ccnc(-c4nnn[n-]4)c3)CC2)c1 ZINC001593589658 1174155712 /nfs/dbraw/zinc/15/57/12/1174155712.db2.gz KPIYCKUZCXZIJZ-UHFFFAOYSA-N -1 1 296.338 1.300 20 0 CDADMM c1cnn(C2CCN(c3ccnc(-c4nn[n-]n4)c3)CC2)c1 ZINC001593589658 1174155717 /nfs/dbraw/zinc/15/57/17/1174155717.db2.gz KPIYCKUZCXZIJZ-UHFFFAOYSA-N -1 1 296.338 1.300 20 0 CDADMM c1nc(-c2nn[n-]n2)nn1CCCCC1CCOCC1 ZINC001593590271 1174157028 /nfs/dbraw/zinc/15/70/28/1174157028.db2.gz MSWBAWUTKFGVHB-UHFFFAOYSA-N -1 1 277.332 1.055 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC001593590376 1174158316 /nfs/dbraw/zinc/15/83/16/1174158316.db2.gz PXRKWNCVMKYOKZ-QWRGUYRKSA-N -1 1 285.355 1.673 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC001593590376 1174158317 /nfs/dbraw/zinc/15/83/17/1174158317.db2.gz PXRKWNCVMKYOKZ-QWRGUYRKSA-N -1 1 285.355 1.673 20 0 CDADMM Cc1cc(CN[C@](C)(CC(=O)[O-])c2ccncc2)[nH]n1 ZINC001600204030 1174405609 /nfs/dbraw/zinc/40/56/09/1174405609.db2.gz AXXVASOFDGJUFT-CQSZACIVSA-N -1 1 274.324 1.593 20 0 CDADMM Cc1cccnc1NC(=O)CN1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001600593662 1174517904 /nfs/dbraw/zinc/51/79/04/1174517904.db2.gz XOLPCJJKLQEKFY-QWRGUYRKSA-N -1 1 277.324 1.124 20 0 CDADMM C[C@@H]1CCCC[C@@H]1N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC000095254905 1174520628 /nfs/dbraw/zinc/52/06/28/1174520628.db2.gz QPEJUDSFBNFVAQ-KOLCDFICSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1CCCC[C@@H]1N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC000095254905 1174520636 /nfs/dbraw/zinc/52/06/36/1174520636.db2.gz QPEJUDSFBNFVAQ-KOLCDFICSA-N -1 1 273.344 1.672 20 0 CDADMM Cc1cnc(C(C)(C)NC[C@](C)(O)C(=O)[O-])s1 ZINC001600618138 1174530900 /nfs/dbraw/zinc/53/09/00/1174530900.db2.gz ZAPOKVJOAQUGEC-NSHDSACASA-N -1 1 258.343 1.112 20 0 CDADMM Cc1nnsc1[C@@H](C)N1CCSC[C@H](C(=O)[O-])C1 ZINC001600803158 1174618843 /nfs/dbraw/zinc/61/88/43/1174618843.db2.gz YGWMBHFIBYERDU-RKDXNWHRSA-N -1 1 287.410 1.657 20 0 CDADMM CCN(C[C@@H]1CCCO1)c1ccnc(-c2nnn[n-]2)c1 ZINC000103613930 1174684884 /nfs/dbraw/zinc/68/48/84/1174684884.db2.gz FCCPWIOFHGJBED-NSHDSACASA-N -1 1 274.328 1.267 20 0 CDADMM CCN(C[C@@H]1CCCO1)c1ccnc(-c2nn[n-]n2)c1 ZINC000103613930 1174684885 /nfs/dbraw/zinc/68/48/85/1174684885.db2.gz FCCPWIOFHGJBED-NSHDSACASA-N -1 1 274.328 1.267 20 0 CDADMM Cn1ccc([C@@H](NC/C=C\c2ccc(F)cc2)C(=O)[O-])n1 ZINC001600974414 1174687175 /nfs/dbraw/zinc/68/71/75/1174687175.db2.gz DWTXCQAPPXAQQB-PYLYLYNFSA-N -1 1 289.310 1.988 20 0 CDADMM O=C([O-])[C@@H]1[C@H](CNC(=O)c2cccc(F)c2O)C1(F)F ZINC001601528937 1174893081 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O=C([O-])c1cncc(CN2CCC(c3nnc[nH]3)CC2)c1 ZINC001602538057 1175280463 /nfs/dbraw/zinc/28/04/63/1175280463.db2.gz KUCMFPFHSIWOSW-UHFFFAOYSA-N -1 1 287.323 1.278 20 0 CDADMM O=C([O-])c1csc(CN2CCC3=C(CCC(=O)N3)C2)c1 ZINC001602644548 1175337739 /nfs/dbraw/zinc/33/77/39/1175337739.db2.gz WESDJMUIRHRCMK-UHFFFAOYSA-N -1 1 292.360 1.816 20 0 CDADMM c1cn(C[C@@H]2C[C@@H]3C=C[C@H]2CC3)c(-c2nnn[n-]2)n1 ZINC001602748754 1175383118 /nfs/dbraw/zinc/38/31/18/1175383118.db2.gz FIPXFBXVDODESK-VWYCJHECSA-N -1 1 256.313 1.666 20 0 CDADMM c1cn(C[C@@H]2C[C@@H]3C=C[C@H]2CC3)c(-c2nn[n-]n2)n1 ZINC001602748754 1175383128 /nfs/dbraw/zinc/38/31/28/1175383128.db2.gz FIPXFBXVDODESK-VWYCJHECSA-N -1 1 256.313 1.666 20 0 CDADMM C/C(=C\C(=O)[O-])CN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC001602957993 1175460047 /nfs/dbraw/zinc/46/00/47/1175460047.db2.gz MDQKJIOZVNNIOJ-DHZHZOJOSA-N -1 1 290.367 1.440 20 0 CDADMM C[C@H](C(=O)[O-])N(C(=O)[C@H]1CCN1C(C)(C)C)C1CCC1 ZINC001603196142 1175512308 /nfs/dbraw/zinc/51/23/08/1175512308.db2.gz 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20 0 CDADMM CCOC(=O)CN(CCC1(C(=O)[O-])CCC1)C(C)C ZINC001590648527 950969183 /nfs/dbraw/zinc/96/91/83/950969183.db2.gz RVXSAJHITNXGQY-UHFFFAOYSA-N -1 1 271.357 1.905 20 0 CDADMM CCOC(=O)c1cc(CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)[nH]n1 ZINC001591092385 951066755 /nfs/dbraw/zinc/06/67/55/951066755.db2.gz XPFVFJBYFQBQPJ-NXEZZACHSA-N -1 1 295.339 1.129 20 0 CDADMM O=C([O-])CCCCC(=O)OCc1ccc2[nH]nnc2c1 ZINC001595034749 951393180 /nfs/dbraw/zinc/39/31/80/951393180.db2.gz LTVNYTRWBUREKX-UHFFFAOYSA-N -1 1 277.280 1.646 20 0 CDADMM O=C([O-])CCCCC(=O)OCc1ccc2nn[nH]c2c1 ZINC001595034749 951393196 /nfs/dbraw/zinc/39/31/96/951393196.db2.gz LTVNYTRWBUREKX-UHFFFAOYSA-N -1 1 277.280 1.646 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)CN1Cc2ccccc2C1=O ZINC001362949123 971753713 /nfs/dbraw/zinc/75/37/13/971753713.db2.gz MOXRFXFDTMBPRL-UHFFFAOYSA-N -1 1 286.291 1.018 20 0 CDADMM O=C([O-])c1cccc(CN2CC[C@H](O)C2)c1Cl ZINC000381593065 971765719 /nfs/dbraw/zinc/76/57/19/971765719.db2.gz DUYILVFJDDQOBZ-VIFPVBQESA-N -1 1 255.701 1.605 20 0 CDADMM O=S(=O)(CC(F)(F)F)[N-]c1ccnn1CCF ZINC001253124238 951764570 /nfs/dbraw/zinc/76/45/70/951764570.db2.gz SAIIVEYQEFRYJC-UHFFFAOYSA-N -1 1 275.227 1.157 20 0 CDADMM CCS(=O)(=O)[N-]c1cc(F)ccc1OCCOC ZINC001253348569 951852351 /nfs/dbraw/zinc/85/23/51/951852351.db2.gz DVNWYAMLJAFSCU-UHFFFAOYSA-N -1 1 277.317 1.613 20 0 CDADMM CCCS(=O)(=O)[N-][C@@H](C(=O)OCC)c1ccccn1 ZINC001253744456 952079993 /nfs/dbraw/zinc/07/99/93/952079993.db2.gz RNOBNRPIZAUFLR-LLVKDONJSA-N -1 1 286.353 1.015 20 0 CDADMM CCC(CC)(NC(=O)c1cc(C)cc(C)n1)c1nn[n-]n1 ZINC001363135853 971917120 /nfs/dbraw/zinc/91/71/20/971917120.db2.gz KODLGULHKLHSJL-UHFFFAOYSA-N -1 1 288.355 1.657 20 0 CDADMM CC(C)[C@@H](CO)O[N-]C(=O)CN(C)Cc1ccccc1 ZINC001324638720 953487902 /nfs/dbraw/zinc/48/79/02/953487902.db2.gz JKCRDXQZMBUXJX-CQSZACIVSA-N -1 1 280.368 1.183 20 0 CDADMM Cn1cncc1CCC(=O)Nc1cc([O-])c(F)cc1F ZINC001363185667 971954997 /nfs/dbraw/zinc/95/49/97/971954997.db2.gz SUYPNDDFGIIVCZ-UHFFFAOYSA-N -1 1 281.262 1.975 20 0 CDADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccncc1F ZINC001589308405 953770234 /nfs/dbraw/zinc/77/02/34/953770234.db2.gz RHTQAYOGGORJMK-MWLCHTKSSA-N -1 1 252.289 1.906 20 0 CDADMM C[C@@H]1[C@H](O)CCCN1Cc1cc(C(=O)[O-])ccc1F ZINC000384809108 971958949 /nfs/dbraw/zinc/95/89/49/971958949.db2.gz CFJFULIYIUHLGF-NOZJJQNGSA-N -1 1 267.300 1.869 20 0 CDADMM C[C@H]1CCN(CN2CCC(CCC(=O)[O-])CC2)C1=O ZINC001589355202 954125289 /nfs/dbraw/zinc/12/52/89/954125289.db2.gz NODZGEDITMQFRG-NSHDSACASA-N -1 1 268.357 1.389 20 0 CDADMM CN(C)Cc1ccnc(NC(=O)C(C)(C)C(=O)[O-])c1 ZINC001593704173 954144254 /nfs/dbraw/zinc/14/42/54/954144254.db2.gz OYMULRMOSBTVGD-UHFFFAOYSA-N -1 1 265.313 1.193 20 0 CDADMM C[C@@H]1CN(C)[C@@H](C)CN1C(=O)Cc1ccccc1C(=O)[O-] ZINC001589377314 954271413 /nfs/dbraw/zinc/27/14/13/954271413.db2.gz JZVHCQRPWDTUCL-NWDGAFQWSA-N -1 1 290.363 1.478 20 0 CDADMM O=C([O-])C1(C(=O)NCCN2CC=CC2)CCCCC1 ZINC001594861387 954277021 /nfs/dbraw/zinc/27/70/21/954277021.db2.gz QOFJAHRDWBMYGY-UHFFFAOYSA-N -1 1 266.341 1.010 20 0 CDADMM CN(Cc1cnc[nH]1)C(=O)Nc1cccnc1C(=O)[O-] ZINC001593756957 954461879 /nfs/dbraw/zinc/46/18/79/954461879.db2.gz MLCGGPLPQZKUKQ-UHFFFAOYSA-N -1 1 275.268 1.167 20 0 CDADMM COC[C@]1(C(=O)[O-])CCN(Cc2nccn2C(C)C)C1 ZINC000692885005 954711407 /nfs/dbraw/zinc/71/14/07/954711407.db2.gz QMTWJYJTAQOVIY-AWEZNQCLSA-N -1 1 281.356 1.387 20 0 CDADMM O=C(Cc1ccc([O-])c(Cl)c1)NCCc1cnoc1 ZINC001363268852 972036692 /nfs/dbraw/zinc/03/66/92/972036692.db2.gz CTKWUONDDYPGKF-UHFFFAOYSA-N -1 1 280.711 1.935 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@@H+]2CCCC[C@@H]2CCC(=O)[O-])n1 ZINC000700430409 954866836 /nfs/dbraw/zinc/86/68/36/954866836.db2.gz XVLKDZZHKHRCQG-LLVKDONJSA-N -1 1 279.340 1.710 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])n1 ZINC000700430409 954866847 /nfs/dbraw/zinc/86/68/47/954866847.db2.gz XVLKDZZHKHRCQG-LLVKDONJSA-N -1 1 279.340 1.710 20 0 CDADMM O=C([O-])C1CCN(c2ccc(CN[C@@H]3CCOC3)o2)CC1 ZINC001594939757 954872697 /nfs/dbraw/zinc/87/26/97/954872697.db2.gz KPGIHBWYCAYJOU-GFCCVEGCSA-N -1 1 294.351 1.459 20 0 CDADMM Cc1nc(CN2C[C@H](C)C[C@H](C(=O)[O-])C2)[nH]c1C ZINC000708996751 955005568 /nfs/dbraw/zinc/00/55/68/955005568.db2.gz KVQRKXBZKFIPOY-KCJUWKMLSA-N -1 1 251.330 1.569 20 0 CDADMM C[C@H](C(=O)Nc1cc([O-])c(F)cc1F)n1cncn1 ZINC001298972033 955258812 /nfs/dbraw/zinc/25/88/12/955258812.db2.gz DUQGRSJWFVCXFC-ZCFIWIBFSA-N -1 1 268.223 1.462 20 0 CDADMM COC(=O)c1ccoc1CN1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC001593891214 955784277 /nfs/dbraw/zinc/78/42/77/955784277.db2.gz GSNVWJNHNXFADX-ZJUUUORDSA-N -1 1 281.308 1.751 20 0 CDADMM Cn1cncc1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594558438 955787804 /nfs/dbraw/zinc/78/78/04/955787804.db2.gz IFEDKRDNYJUDDG-GFCCVEGCSA-N -1 1 263.272 1.475 20 0 CDADMM COC(=O)c1cccc2c1OCCN([C@H](C)C(=O)[O-])C2 ZINC001593896576 955825117 /nfs/dbraw/zinc/82/51/17/955825117.db2.gz BBAKYWBYDUZHHQ-SECBINFHSA-N -1 1 279.292 1.141 20 0 CDADMM CO[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(F)nc2F)C1 ZINC001329393583 955875501 /nfs/dbraw/zinc/87/55/01/955875501.db2.gz LDNLQGAHCPLWCT-JGVFFNPUSA-N -1 1 292.307 1.206 20 0 CDADMM O=C(NC1(c2nn[n-]n2)CCC1)c1ccc(Cl)nc1F ZINC001303222727 956068633 /nfs/dbraw/zinc/06/86/33/956068633.db2.gz WHGOVPWWOPVCLK-UHFFFAOYSA-N -1 1 296.693 1.196 20 0 CDADMM Cn1cnc(C(=O)NCc2ccc([O-])c(Cl)c2)c1 ZINC001303298859 956076058 /nfs/dbraw/zinc/07/60/58/956076058.db2.gz JUIDXOFVZTTZDS-UHFFFAOYSA-N -1 1 265.700 1.709 20 0 CDADMM CCOCCOCCNC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001303987446 956141608 /nfs/dbraw/zinc/14/16/08/956141608.db2.gz JUXYQYXLXNLLNW-UHFFFAOYSA-N -1 1 295.335 1.296 20 0 CDADMM CCC/C=C/C(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1 ZINC001304051056 956156908 /nfs/dbraw/zinc/15/69/08/956156908.db2.gz XDSPNLJHYSQBKN-VOTSOKGWSA-N -1 1 279.340 1.553 20 0 CDADMM C[C@H](NCc1ccc(C(=O)[O-])s1)C(=O)NCCF ZINC001589131338 956192994 /nfs/dbraw/zinc/19/29/94/956192994.db2.gz JLAWNIXKGSIXLG-ZETCQYMHSA-N -1 1 274.317 1.010 20 0 CDADMM COC/C=C/C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001329974563 956212563 /nfs/dbraw/zinc/21/25/63/956212563.db2.gz KRLCBKKSWVBMDG-NSCUHMNNSA-N -1 1 266.249 1.026 20 0 CDADMM C[C@H](Nc1cccc(CN2CCC[C@H]2C(N)=O)c1)C(=O)[O-] ZINC001589137063 956235492 /nfs/dbraw/zinc/23/54/92/956235492.db2.gz XZPYBUFQEBXESW-GWCFXTLKSA-N -1 1 291.351 1.021 20 0 CDADMM CCn1nc(C)c(C(=O)[N-]c2nc(-c3ccccc3)no2)n1 ZINC001306476503 956318288 /nfs/dbraw/zinc/31/82/88/956318288.db2.gz SRRQOFPTZRHTEY-UHFFFAOYSA-N -1 1 298.306 1.909 20 0 CDADMM C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ncc[nH]1 ZINC001306847732 956338918 /nfs/dbraw/zinc/33/89/18/956338918.db2.gz VDNHTPREOUVLJW-QMMMGPOBSA-N -1 1 259.265 1.175 20 0 CDADMM C[C@H](OC(=O)c1[nH]nc2c1CCCCC2)C(=O)[O-] ZINC001589161378 956418078 /nfs/dbraw/zinc/41/80/78/956418078.db2.gz WXEDHSFACMBFCQ-ZETCQYMHSA-N -1 1 252.270 1.309 20 0 CDADMM N[C@@H](CC(=O)[O-])c1noc([C@@H]2Cc3ccccc3O2)n1 ZINC001594660830 956534612 /nfs/dbraw/zinc/53/46/12/956534612.db2.gz OUYOZTVCFHCKSS-WPRPVWTQSA-N -1 1 275.264 1.220 20 0 CDADMM N[C@@H](CC(=O)[O-])c1noc(C2(c3cccc(F)c3)CC2)n1 ZINC001594661265 956538649 /nfs/dbraw/zinc/53/86/49/956538649.db2.gz SZXXGEQRIZCYMY-JTQLQIEISA-N -1 1 291.282 1.763 20 0 CDADMM C[C@@H]1[C@@H](C)N(C(=O)[C@]2(C(=O)[O-])CC=CCC2)CCN1C ZINC001589262515 957047690 /nfs/dbraw/zinc/04/76/90/957047690.db2.gz OIUMHYBMCDMPNX-JMSVASOKSA-N -1 1 280.368 1.349 20 0 CDADMM O=C([O-])c1ccc(CCNc2ncnc3[nH]cnc32)cc1 ZINC000035254972 957203686 /nfs/dbraw/zinc/20/36/86/957203686.db2.gz QMBSHKGSJULDPR-UHFFFAOYSA-N -1 1 283.291 1.706 20 0 CDADMM CCN1CCN(Cc2cc(C)c(C(=O)[O-])o2)CC1 ZINC000036812734 957238718 /nfs/dbraw/zinc/23/87/18/957238718.db2.gz CGYDCGXRLHPLDK-UHFFFAOYSA-N -1 1 252.314 1.424 20 0 CDADMM C[C@@H]1CN(C(=O)[C@H]2CCCCN2C)CC[C@@H]1C(=O)[O-] ZINC001332177522 957466828 /nfs/dbraw/zinc/46/68/28/957466828.db2.gz ZFUGOKMSOQUNEO-GRYCIOLGSA-N -1 1 268.357 1.040 20 0 CDADMM CCCc1cc(C(=O)N(C)c2nn[n-]n2)sc1C ZINC001332242256 957491305 /nfs/dbraw/zinc/49/13/05/957491305.db2.gz SUPBZPNXCOXOTQ-UHFFFAOYSA-N -1 1 265.342 1.799 20 0 CDADMM C[N@@H+](CCC(=O)[O-])[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000074404074 957738222 /nfs/dbraw/zinc/73/82/22/957738222.db2.gz ZRTRZBQTXMRLOQ-LLVKDONJSA-N -1 1 255.245 1.358 20 0 CDADMM CC(C)CC(=O)NC[C@@H](C)N(C)C(=O)c1ncccc1[O-] ZINC001426566102 957987201 /nfs/dbraw/zinc/98/72/01/957987201.db2.gz NXPVUQJFCXYOBL-LLVKDONJSA-N -1 1 293.367 1.410 20 0 CDADMM CC[C@@H](CNC(=O)c1c[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000087485094 958014385 /nfs/dbraw/zinc/01/43/85/958014385.db2.gz FZGXHAUGLQLCKL-VIFPVBQESA-N -1 1 288.303 1.369 20 0 CDADMM C[C@H](c1cnccn1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091133419 958127239 /nfs/dbraw/zinc/12/72/39/958127239.db2.gz MGLXFPZTYGNXIA-ZJUUUORDSA-N -1 1 267.354 1.430 20 0 CDADMM CCO[N-]C(=O)[C@H]1CCCCN1Cc1ccncc1 ZINC001318660544 958216264 /nfs/dbraw/zinc/21/62/64/958216264.db2.gz UAXSZADVNUZIDQ-CYBMUJFWSA-N -1 1 263.341 1.504 20 0 CDADMM CCCCNC(=S)NN=c1[n-]ncc(N)c1Cl ZINC001333357551 958277742 /nfs/dbraw/zinc/27/77/42/958277742.db2.gz NXTIGHIOFQVDGP-UHFFFAOYSA-N -1 1 274.781 1.303 20 0 CDADMM COc1ncccc1CN1CCC(C(=O)[O-])CC1 ZINC000095009037 958329909 /nfs/dbraw/zinc/32/99/09/958329909.db2.gz HXRPGGOUJPJKJS-UHFFFAOYSA-N -1 1 250.298 1.387 20 0 CDADMM CN1CCN(C(=O)c2ccccc2C(=O)[O-])CC1(C)C ZINC000110714165 958393779 /nfs/dbraw/zinc/39/37/79/958393779.db2.gz DRDFEJJHGBLMLI-UHFFFAOYSA-N -1 1 276.336 1.551 20 0 CDADMM C[C@@H]1CN(Cc2ccc(Cl)nn2)C[C@@]1(C)C(=O)[O-] ZINC001334011093 958762099 /nfs/dbraw/zinc/76/20/99/958762099.db2.gz UGNNUOSFMLOQQX-PRHODGIISA-N -1 1 269.732 1.673 20 0 CDADMM O=C([O-])c1cc(CN2CCC[C@H]2[C@H]2CCCO2)[nH]n1 ZINC001334035521 958786012 /nfs/dbraw/zinc/78/60/12/958786012.db2.gz XWNBJRRLTVBGAY-NWDGAFQWSA-N -1 1 265.313 1.251 20 0 CDADMM Cc1cccc([C@H](NCc2cc(=O)c(O)co2)C(=O)[O-])c1 ZINC001594398134 958794700 /nfs/dbraw/zinc/79/47/00/958794700.db2.gz RMXDAXMORURPTC-AWEZNQCLSA-N -1 1 289.287 1.569 20 0 CDADMM CC(C)c1n[nH]c(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)n1 ZINC001573532812 959167833 /nfs/dbraw/zinc/16/78/33/959167833.db2.gz BVGGTWINUHOXAZ-JGVFFNPUSA-N -1 1 266.301 1.368 20 0 CDADMM CC(C)c1nc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)n[nH]1 ZINC001573532812 959167841 /nfs/dbraw/zinc/16/78/41/959167841.db2.gz BVGGTWINUHOXAZ-JGVFFNPUSA-N -1 1 266.301 1.368 20 0 CDADMM C[C@H](C(=O)[O-])C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC001588574969 959210687 /nfs/dbraw/zinc/21/06/87/959210687.db2.gz BNIUVSZITRBDLB-ZETCQYMHSA-N -1 1 276.296 1.288 20 0 CDADMM C[C@H](NCCOCC(=O)[O-])c1cccc(F)c1F ZINC001603248595 972413878 /nfs/dbraw/zinc/41/38/78/972413878.db2.gz JASGLSUSZNXXEL-QMMMGPOBSA-N -1 1 259.252 1.717 20 0 CDADMM CC(C)c1nc([C@@H](C)NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)n[nH]1 ZINC001573564566 959279188 /nfs/dbraw/zinc/27/91/88/959279188.db2.gz IHWVIMCIWPMHSB-IWSPIJDZSA-N -1 1 295.343 1.152 20 0 CDADMM Cc1nnc([C@@H](C)OC(=O)C2(CC(=O)[O-])CCC2)[nH]1 ZINC001594442930 959296759 /nfs/dbraw/zinc/29/67/59/959296759.db2.gz JBVPTWCSPSNHOI-SSDOTTSWSA-N -1 1 267.285 1.362 20 0 CDADMM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2cncs2)C1 ZINC000169207505 959402275 /nfs/dbraw/zinc/40/22/75/959402275.db2.gz JVIOUKVXQHKEQB-SECBINFHSA-N -1 1 280.271 1.982 20 0 CDADMM C[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H](C)CN1C ZINC001573649684 959649443 /nfs/dbraw/zinc/64/94/43/959649443.db2.gz QVWYQPBIUXVLGY-FIQHERPVSA-N -1 1 268.357 1.038 20 0 CDADMM CCOC(=O)N1CCN([C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000212216205 959709502 /nfs/dbraw/zinc/70/95/02/959709502.db2.gz GIEVJSNCYGDDQL-ZDUSSCGKSA-N -1 1 292.335 1.586 20 0 CDADMM CC1(C)CC[C@@H](CO)N(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC001336101928 960202166 /nfs/dbraw/zinc/20/21/66/960202166.db2.gz QQVUXTOXKHZAOG-LBPRGKRZSA-N -1 1 291.347 1.584 20 0 CDADMM CC(C)NC(=O)[C@H](C)NCc1ccsc1C(=O)[O-] ZINC000232645294 960290484 /nfs/dbraw/zinc/29/04/84/960290484.db2.gz UAAZTGANZDYECY-QMMMGPOBSA-N -1 1 270.354 1.449 20 0 CDADMM CCN(C)C(=O)[C@H](C)NCc1ccc(C(=O)[O-])c(F)c1 ZINC000233438458 960321264 /nfs/dbraw/zinc/32/12/64/960321264.db2.gz FHXXHUXYWJZOFL-VIFPVBQESA-N -1 1 282.315 1.480 20 0 CDADMM COc1ccc2nc([C@@H](C)NC(=O)CCC(=O)[O-])[nH]c2c1 ZINC001574226551 960399930 /nfs/dbraw/zinc/39/99/30/960399930.db2.gz ZYHXAGVWCKHCLV-MRVPVSSYSA-N -1 1 291.307 1.614 20 0 CDADMM CSc1ncc(C(=O)N[C@H](C)Cc2ccco2)c(=O)[n-]1 ZINC001433605371 960440356 /nfs/dbraw/zinc/44/03/56/960440356.db2.gz LUZGLYGMAFHYJU-MRVPVSSYSA-N -1 1 293.348 1.858 20 0 CDADMM CCC(CC)(CNC(=O)c1cncc2nc[nH]c21)C(=O)[O-] ZINC001573790320 960747687 /nfs/dbraw/zinc/74/76/87/960747687.db2.gz LFDWQZFSUQIAHJ-UHFFFAOYSA-N -1 1 290.323 1.579 20 0 CDADMM O=C([O-])C1(NC(=O)c2[nH]ncc2F)CCCCC1 ZINC001574310319 960761020 /nfs/dbraw/zinc/76/10/20/960761020.db2.gz PGTFVCNRDXFONC-UHFFFAOYSA-N -1 1 255.249 1.066 20 0 CDADMM CCOc1c(Cl)cccc1CN1CC[C@](O)(C(=O)[O-])C1 ZINC001571069718 960879189 /nfs/dbraw/zinc/87/91/89/960879189.db2.gz PHGSNJPLSROWLK-CQSZACIVSA-N -1 1 299.754 1.760 20 0 CDADMM CC(C)OC(=O)COC(=O)c1ccc([O-])cc1F ZINC001337180432 961003287 /nfs/dbraw/zinc/00/32/87/961003287.db2.gz HPAMPPLGGOFIRJ-UHFFFAOYSA-N -1 1 256.229 1.640 20 0 CDADMM O=C([O-])CC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000238165901 961140118 /nfs/dbraw/zinc/14/01/18/961140118.db2.gz JHERHPJXJLNJDW-CABCVRRESA-N -1 1 290.363 1.046 20 0 CDADMM Cc1cccc([C@@H](NC(=O)[C@@H]2CCCCN2C)C(=O)[O-])c1 ZINC001574391225 961182461 /nfs/dbraw/zinc/18/24/61/961182461.db2.gz KLVVXTHTTJLSOD-UONOGXRCSA-N -1 1 290.363 1.721 20 0 CDADMM Cc1cccnc1NC(=O)CN(C)CCCC(=O)[O-] ZINC001574407313 961265766 /nfs/dbraw/zinc/26/57/66/961265766.db2.gz HBSQWVQYSWWPNG-UHFFFAOYSA-N -1 1 265.313 1.125 20 0 CDADMM COc1cccc([O-])c1C(=O)N1CCc2ncccc21 ZINC001434392409 961287292 /nfs/dbraw/zinc/28/72/92/961287292.db2.gz WZSJPHRTGSXGSH-UHFFFAOYSA-N -1 1 270.288 1.999 20 0 CDADMM CCN1C[C@H](C)N(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C[C@H]1C ZINC001573883695 961294430 /nfs/dbraw/zinc/29/44/30/961294430.db2.gz LSMTVJSKJADHFP-WRWGMCAJSA-N -1 1 268.357 1.038 20 0 CDADMM Cc1nocc1CN1CCSC[C@H]1CC(=O)[O-] ZINC000257679571 961339568 /nfs/dbraw/zinc/33/95/68/961339568.db2.gz PCWMXZWTWHAHDD-SNVBAGLBSA-N -1 1 256.327 1.375 20 0 CDADMM CC(C)(NC(=O)C=Cc1ccc(C(=O)[O-])o1)c1c[nH]nn1 ZINC001588787210 961353235 /nfs/dbraw/zinc/35/32/35/961353235.db2.gz REKRJJLXJOJNRU-XQRVVYSFSA-N -1 1 290.279 1.161 20 0 CDADMM O=C([O-])C1(NC(=O)c2[nH]nc3c2CCCCC3)CC1 ZINC001332137649 961477688 /nfs/dbraw/zinc/47/76/88/961477688.db2.gz XVIKBJKCYROPES-UHFFFAOYSA-N -1 1 263.297 1.026 20 0 CDADMM CN(Cc1nccn1C(F)F)[C@@H](C(=O)[O-])C1CC1 ZINC001332397357 961558781 /nfs/dbraw/zinc/55/87/81/961558781.db2.gz UOQPMLCJNLKLCF-SECBINFHSA-N -1 1 259.256 1.573 20 0 CDADMM CCn1ccc(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)n1 ZINC001573971607 961738191 /nfs/dbraw/zinc/73/81/91/961738191.db2.gz ZLSAIJTTWTUVFD-PWSUYJOCSA-N -1 1 251.330 1.446 20 0 CDADMM O=C([O-])c1cncc(NC(=O)CCN2CC[C@H](F)C2)c1 ZINC001574521617 961856288 /nfs/dbraw/zinc/85/62/88/961856288.db2.gz MPPZNWHJUUIZTP-JTQLQIEISA-N -1 1 281.287 1.152 20 0 CDADMM O=C([O-])c1cnc(N2CC[C@@H](N3CC=CC3)C2)s1 ZINC001335465213 961931074 /nfs/dbraw/zinc/93/10/74/961931074.db2.gz MJNWPGFLBQOKFD-SECBINFHSA-N -1 1 265.338 1.292 20 0 CDADMM Cc1conc1[N-]C(=O)c1ncccc1S(C)(=O)=O ZINC001436181326 962144681 /nfs/dbraw/zinc/14/46/81/962144681.db2.gz BRFKUKFITJCGBI-UHFFFAOYSA-N -1 1 281.293 1.034 20 0 CDADMM CN(C)C1(C(=O)N2CCC(CCC(=O)[O-])CC2)CC1 ZINC001339524491 962400842 /nfs/dbraw/zinc/40/08/42/962400842.db2.gz XDNCXSOTIPICPG-UHFFFAOYSA-N -1 1 268.357 1.184 20 0 CDADMM Cc1cc(CCC(=O)NC2(C(=O)[O-])CCCCC2)n[nH]1 ZINC001574133917 962555800 /nfs/dbraw/zinc/55/58/00/962555800.db2.gz HCZSOFHCXJZAKT-UHFFFAOYSA-N -1 1 279.340 1.554 20 0 CDADMM CC(C)c1nc(CNC(=O)[C@@]2(C(=O)[O-])CC2(C)C)n[nH]1 ZINC001588976767 962708162 /nfs/dbraw/zinc/70/81/62/962708162.db2.gz UHVBCYSAZGRWJC-CYBMUJFWSA-N -1 1 280.328 1.045 20 0 CDADMM CCCC[C@H](NC(=O)C(C)(C)c1cnc[nH]1)C(=O)[O-] ZINC001570990108 963148529 /nfs/dbraw/zinc/14/85/29/963148529.db2.gz WQVGVKJCMKHXBG-VIFPVBQESA-N -1 1 267.329 1.447 20 0 CDADMM C[C@H]1CN(C(=O)[C@H]2CCCCN2C)CC[C@H]1C(=O)[O-] ZINC001570993198 963167914 /nfs/dbraw/zinc/16/79/14/963167914.db2.gz ZFUGOKMSOQUNEO-QJPTWQEYSA-N -1 1 268.357 1.040 20 0 CDADMM O=C([O-])c1csc(CN2CC[C@H]([C@H]3CCOC3)C2)n1 ZINC001571018761 963322788 /nfs/dbraw/zinc/32/27/88/963322788.db2.gz GTMUOSRASZXIKL-UWVGGRQHSA-N -1 1 282.365 1.700 20 0 CDADMM C[C@H](c1ncc(C(=O)[O-])s1)N1CC[C@@](O)(C2CC2)C1 ZINC001571019160 963327005 /nfs/dbraw/zinc/32/70/05/963327005.db2.gz RBZAZLXQGPVFSB-OQPBUACISA-N -1 1 282.365 1.749 20 0 CDADMM O=C([O-])[C@H]1CN(c2ncnc3[nH]cnc32)Cc2ccccc21 ZINC000316028043 963967495 /nfs/dbraw/zinc/96/74/95/963967495.db2.gz MWDVSUMOKZQGTK-NSHDSACASA-N -1 1 295.302 1.541 20 0 CDADMM CC[C@@H](C)C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000316138719 963982605 /nfs/dbraw/zinc/98/26/05/963982605.db2.gz FZAYQTXMXSOIEU-SFYZADRCSA-N -1 1 290.341 1.476 20 0 CDADMM O=C(CCc1nn[n-]n1)N1CC[C@@H]1C1CCCCCC1 ZINC001551935888 964035703 /nfs/dbraw/zinc/03/57/03/964035703.db2.gz QULUODFLOKMPRM-GFCCVEGCSA-N -1 1 277.372 1.704 20 0 CDADMM COc1ccc2[nH]c(C)c(C(=O)N(C)c3nn[n-]n3)c2c1 ZINC001557698276 965198384 /nfs/dbraw/zinc/19/83/84/965198384.db2.gz VUWIXJMSHJDPGI-UHFFFAOYSA-N -1 1 286.295 1.275 20 0 CDADMM CC[C@H](F)C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC001347059920 965354079 /nfs/dbraw/zinc/35/40/79/965354079.db2.gz HDKUQGJAGRMBBF-SFYZADRCSA-N -1 1 257.265 1.229 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H](C)[C@H]1CCCOC1 ZINC001347128288 965384588 /nfs/dbraw/zinc/38/45/88/965384588.db2.gz VRUAQKXOECCLDB-APPZFPTMSA-N -1 1 297.380 1.324 20 0 CDADMM O=C(Cn1ccc2ccc(F)cc21)Nc1c[n-][nH]c1=O ZINC001558988545 965386333 /nfs/dbraw/zinc/38/63/33/965386333.db2.gz VGJLGASZWLWXAK-UHFFFAOYSA-N -1 1 274.255 1.848 20 0 CDADMM O=C(c1ccc2ccccc2n1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001347199686 965416663 /nfs/dbraw/zinc/41/66/63/965416663.db2.gz YQUYGVKEMHRJPB-NSHDSACASA-N -1 1 294.318 1.378 20 0 CDADMM O=C(Nc1nnn[n-]1)c1cccc(-c2cnco2)c1 ZINC001444626961 965907383 /nfs/dbraw/zinc/90/73/83/965907383.db2.gz RATNXJGKJKMTBV-UHFFFAOYSA-N -1 1 256.225 1.107 20 0 CDADMM O=C(Nc1nn[n-]n1)c1cccc(-c2cnco2)c1 ZINC001444626961 965907391 /nfs/dbraw/zinc/90/73/91/965907391.db2.gz RATNXJGKJKMTBV-UHFFFAOYSA-N -1 1 256.225 1.107 20 0 CDADMM O=C(/C=C\CCc1ccccc1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001349002455 966250443 /nfs/dbraw/zinc/25/04/43/966250443.db2.gz NFXYKTJMRHNRMC-UQYHUFHVSA-N -1 1 297.362 1.705 20 0 CDADMM O=C(c1cnncc1[O-])N1CCC2(CCCCO2)CC1 ZINC001550895676 966256375 /nfs/dbraw/zinc/25/63/75/966256375.db2.gz XFGQUMSZLODYLF-UHFFFAOYSA-N -1 1 277.324 1.358 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC001351720197 966982208 /nfs/dbraw/zinc/98/22/08/966982208.db2.gz LMMMKTBOJYPWAF-BQBZGAKWSA-N -1 1 297.380 1.465 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H]1CS[C@@H](C)C1 ZINC001352291339 967160907 /nfs/dbraw/zinc/16/09/07/967160907.db2.gz BJWJDPFFYPKQFE-CAHLUQPWSA-N -1 1 285.394 1.403 20 0 CDADMM C[C@@H](Cn1cccn1)NC(=O)c1cccc([O-])c1F ZINC001540726816 967166838 /nfs/dbraw/zinc/16/68/38/967166838.db2.gz VZPSUWILTCKKCA-VIFPVBQESA-N -1 1 263.272 1.546 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCC[C@H](CCF)C1 ZINC001352433836 967265582 /nfs/dbraw/zinc/26/55/82/967265582.db2.gz QBGVYCAXQZXUKI-SECBINFHSA-N -1 1 299.371 1.991 20 0 CDADMM CC(=O)CC1(C(=O)Nc2c(C)[n-][nH]c2=O)CCC1 ZINC001450495094 967730407 /nfs/dbraw/zinc/73/04/07/967730407.db2.gz VXBQZAXHNHKIMV-UHFFFAOYSA-N -1 1 251.286 1.512 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1sccc1-n1ccnn1 ZINC001450499436 967731692 /nfs/dbraw/zinc/73/16/92/967731692.db2.gz SCFBEBYJTXZIDL-UHFFFAOYSA-N -1 1 290.308 1.318 20 0 CDADMM O=C(Nc1n[nH]c2[nH]c(=O)ccc12)c1cccc([O-])c1F ZINC001450521335 967733617 /nfs/dbraw/zinc/73/36/17/967733617.db2.gz MJCLDWGTYVRRHL-UHFFFAOYSA-N -1 1 288.238 1.761 20 0 CDADMM CCC[C@H](C)C(=O)N[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001416796890 967785845 /nfs/dbraw/zinc/78/58/45/967785845.db2.gz IQLYBMYKGBAISE-WDEREUQCSA-N -1 1 293.367 1.458 20 0 CDADMM CCC1(C(=O)N2CC[C@H](c3nn[n-]n3)C2)CCCCC1 ZINC001548763953 967841220 /nfs/dbraw/zinc/84/12/20/967841220.db2.gz CSTQKOPNZPWSSU-NSHDSACASA-N -1 1 277.372 1.876 20 0 CDADMM CCn1ccc(CNC(=O)c2cccc([O-])c2F)n1 ZINC001451510135 967965171 /nfs/dbraw/zinc/96/51/71/967965171.db2.gz VHEMHLJVNIDMFV-UHFFFAOYSA-N -1 1 263.272 1.678 20 0 CDADMM Cc1ncc(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)[nH]1 ZINC001549040269 967986143 /nfs/dbraw/zinc/98/61/43/967986143.db2.gz MHHVEHXVCSMROQ-CHWSQXEVSA-N -1 1 299.330 1.659 20 0 CDADMM C[C@@H](C(=O)[O-])N(Cc1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000383196103 968109286 /nfs/dbraw/zinc/10/92/86/968109286.db2.gz VMTNXABEYDAJLD-JTQLQIEISA-N -1 1 297.376 1.528 20 0 CDADMM O=C(NC[C@H]1CCO[C@@H]1c1cn[nH]c1)c1cncc([O-])c1 ZINC001549657676 968264383 /nfs/dbraw/zinc/26/43/83/968264383.db2.gz RBVDKAFSLUJKHU-RNCFNFMXSA-N -1 1 288.307 1.018 20 0 CDADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cnsn1 ZINC000399782101 968294387 /nfs/dbraw/zinc/29/43/87/968294387.db2.gz LLJSJYXQHUMYCF-IEBDPFPHSA-N -1 1 267.354 1.756 20 0 CDADMM COc1ccccc1N(C)C(=O)C1=C([O-])C(C)N=N1 ZINC001300444887 968320255 /nfs/dbraw/zinc/32/02/55/968320255.db2.gz DNNWORPCMSGSAG-UHFFFAOYSA-N -1 1 261.281 1.709 20 0 CDADMM [O-]c1ccc(Br)nc1NC(=S)NC1CC1 ZINC001200619168 968607859 /nfs/dbraw/zinc/60/78/59/968607859.db2.gz XLMGMQUKDPBSFI-UHFFFAOYSA-N -1 1 288.170 1.999 20 0 CDADMM C[C@H]1CCN(Cc2cn3ccsc3n2)C[C@H]1C(=O)[O-] ZINC000693446122 968933109 /nfs/dbraw/zinc/93/31/09/968933109.db2.gz LFKVKYCYHUMBQU-GXSJLCMTSA-N -1 1 279.365 1.938 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cn(Cc2ccccc2)nn1 ZINC001457824880 969227523 /nfs/dbraw/zinc/22/75/23/969227523.db2.gz XVQSQSUALKSNST-UHFFFAOYSA-N -1 1 284.279 1.007 20 0 CDADMM Cc1c2ccccc2oc1C(=O)N(C)c1nn[n-]n1 ZINC001532084573 969316990 /nfs/dbraw/zinc/31/69/90/969316990.db2.gz ADEIGJDUHQDBES-UHFFFAOYSA-N -1 1 257.253 1.531 20 0 CDADMM O=C(NCC[C@H]1C(=O)Nc2ccccc21)c1ccc([O-])cn1 ZINC001463849190 969754172 /nfs/dbraw/zinc/75/41/72/969754172.db2.gz HXRYQFSOZXVBRA-GFCCVEGCSA-N -1 1 297.314 1.643 20 0 CDADMM Cc1cc([C@@H]2CCCN2C(=O)CCCc2nn[n-]n2)on1 ZINC001464220355 969776843 /nfs/dbraw/zinc/77/68/43/969776843.db2.gz KLNHRWOIYZPEAG-JTQLQIEISA-N -1 1 290.327 1.183 20 0 CDADMM CC(C)OC1CC(N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)C1 ZINC001413998750 969806911 /nfs/dbraw/zinc/80/69/11/969806911.db2.gz BQCXKBQUCONGNR-UNXYVOJBSA-N -1 1 280.372 1.646 20 0 CDADMM C[C@@](O)(CNC(=O)c1ccc([O-])cn1)c1ccccc1 ZINC001465233950 969857053 /nfs/dbraw/zinc/85/70/53/969857053.db2.gz HJLTWTPVWJTTIV-OAHLLOKOSA-N -1 1 272.304 1.425 20 0 CDADMM CC(C)=CCOc1cccc(C(=O)OCc2nn[n-]n2)c1 ZINC001519440602 970082667 /nfs/dbraw/zinc/08/26/67/970082667.db2.gz BQMHDIJQXYLBMH-UHFFFAOYSA-N -1 1 288.307 1.902 20 0 CDADMM Cc1cc(CNC(=O)c2ncc3ccccc3c2[O-])n(C)n1 ZINC001467817000 970104965 /nfs/dbraw/zinc/10/49/65/970104965.db2.gz ZIHNYRQFBDFEMO-UHFFFAOYSA-N -1 1 296.330 1.912 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC001468549184 970175193 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CC[C@H](C)[C@H](NC(=O)CN1CCC(C)(C)CC1)C(=O)[O-] ZINC000736880074 575768884 /nfs/dbraw/zinc/76/88/84/575768884.db2.gz UEDGSXZWMBBPJG-AAEUAGOBSA-N -1 1 284.400 1.724 20 0 CDADMM CCC[C@@](C)(NCC(=O)NCc1ccccc1C)C(=O)[O-] ZINC000736966193 575778569 /nfs/dbraw/zinc/77/85/69/575778569.db2.gz ZMWZEELNGIAYFN-MRXNPFEDSA-N -1 1 292.379 1.844 20 0 CDADMM Cn1ccc(COC(=O)c2ccc([O-])cc2F)cc1=O ZINC000773568248 575826526 /nfs/dbraw/zinc/82/65/26/575826526.db2.gz FLZQBEGGUPIRIG-UHFFFAOYSA-N -1 1 277.251 1.587 20 0 CDADMM CCc1cc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)n[nH]1 ZINC000737250322 575909912 /nfs/dbraw/zinc/90/99/12/575909912.db2.gz CEJKPTLFSYYCDO-ZDUSSCGKSA-N -1 1 287.319 1.870 20 0 CDADMM CN(C)[C@@H](Cc1ccccc1)C(=O)N(C)CCCC(=O)[O-] ZINC000737434146 575964167 /nfs/dbraw/zinc/96/41/67/575964167.db2.gz UUKRAPQNZGHTGL-AWEZNQCLSA-N -1 1 292.379 1.483 20 0 CDADMM Cc1csc(NC(=O)N2CCC(c3nn[n-]n3)CC2)n1 ZINC000737451960 575967394 /nfs/dbraw/zinc/96/73/94/575967394.db2.gz HYIKSTOUYMHPMS-UHFFFAOYSA-N -1 1 293.356 1.376 20 0 CDADMM Cc1ncc(CN(C)c2nccnc2-c2nnn[n-]2)s1 ZINC000737491321 575976061 /nfs/dbraw/zinc/97/60/61/575976061.db2.gz HSNZARUJDCRTOR-UHFFFAOYSA-N -1 1 288.340 1.058 20 0 CDADMM Cc1ncc(CN(C)c2nccnc2-c2nn[n-]n2)s1 ZINC000737491321 575976063 /nfs/dbraw/zinc/97/60/63/575976063.db2.gz HSNZARUJDCRTOR-UHFFFAOYSA-N -1 1 288.340 1.058 20 0 CDADMM CC(C)[C@H](C(=O)OCCCC(=O)[O-])N1CCCC1 ZINC000737607263 576001157 /nfs/dbraw/zinc/00/11/57/576001157.db2.gz JYOYWZCJKJJWFU-GFCCVEGCSA-N -1 1 257.330 1.515 20 0 CDADMM Cc1cccc([C@H](C)C(=O)OCc2nc(=O)n(C)[n-]2)c1 ZINC000765481116 576028061 /nfs/dbraw/zinc/02/80/61/576028061.db2.gz SXRXJFMTGWADRW-JTQLQIEISA-N -1 1 275.308 1.264 20 0 CDADMM C[C@H](C(=O)OCc1nc(=O)n(C)[n-]1)c1cccc(Cl)c1 ZINC000765488741 576029434 /nfs/dbraw/zinc/02/94/34/576029434.db2.gz MKAJUYQTHNSAOW-QMMMGPOBSA-N -1 1 295.726 1.609 20 0 CDADMM Cn1[n-]c(COC(=O)c2cc(F)cc(Cl)c2)nc1=O ZINC000765497846 576031084 /nfs/dbraw/zinc/03/10/84/576031084.db2.gz WQQKNJAGMRUZGA-UHFFFAOYSA-N -1 1 285.662 1.258 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]2CCC[C@H]21 ZINC000738259913 576054309 /nfs/dbraw/zinc/05/43/09/576054309.db2.gz XNTGJMMWLQEOSO-GXFFZTMASA-N -1 1 298.350 1.666 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]2CCC[C@H]21 ZINC000738259913 576054311 /nfs/dbraw/zinc/05/43/11/576054311.db2.gz XNTGJMMWLQEOSO-GXFFZTMASA-N -1 1 298.350 1.666 20 0 CDADMM c1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)cc1 ZINC000738426495 576072754 /nfs/dbraw/zinc/07/27/54/576072754.db2.gz RDYDEVVBFMXONW-UHFFFAOYSA-N -1 1 291.274 1.979 20 0 CDADMM c1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)cc1 ZINC000738426495 576072755 /nfs/dbraw/zinc/07/27/55/576072755.db2.gz RDYDEVVBFMXONW-UHFFFAOYSA-N -1 1 291.274 1.979 20 0 CDADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)C1=CCCCO1 ZINC000767891868 576236101 /nfs/dbraw/zinc/23/61/01/576236101.db2.gz SWGSYMMUNDVPPF-GFCCVEGCSA-N -1 1 285.307 1.100 20 0 CDADMM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000739552626 576252455 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CCC[C@@H]1CC(=O)N(CN2CCC(C(=O)[O-])CC2)C1 ZINC000818161885 597206564 /nfs/dbraw/zinc/20/65/64/597206564.db2.gz AXURHCRLFGDJLT-LLVKDONJSA-N -1 1 268.357 1.389 20 0 CDADMM O=C([O-])[C@H]1CCN(Cc2nc(-c3ccco3)no2)C1 ZINC000062134046 597525313 /nfs/dbraw/zinc/52/53/13/597525313.db2.gz WGPPFURGZURAMI-QMMMGPOBSA-N -1 1 263.253 1.236 20 0 CDADMM O=C([O-])CCCCN[C@@H](CO)c1c(F)cccc1F ZINC000821521857 597812705 /nfs/dbraw/zinc/81/27/05/597812705.db2.gz PBEWDPCEFFSGNU-NSHDSACASA-N -1 1 273.279 1.843 20 0 CDADMM CC1CC([N-]S(=O)(=O)c2nc[nH]c2Br)C1 ZINC000866911323 620437881 /nfs/dbraw/zinc/43/78/81/620437881.db2.gz UTQLDIJUPJOSHS-UHFFFAOYSA-N -1 1 294.174 1.249 20 0 CDADMM Fc1ccc(Oc2nccnc2-c2nn[n-]n2)cc1F ZINC000095142757 598337106 /nfs/dbraw/zinc/33/71/06/598337106.db2.gz OJPQMUIJJWBRLE-UHFFFAOYSA-N -1 1 276.206 1.727 20 0 CDADMM CN(C[C@@H]1CCCOC1)c1cccc(-c2nnn[n-]2)n1 ZINC000095294141 599433664 /nfs/dbraw/zinc/43/36/64/599433664.db2.gz LQFPQWMFINURRJ-JTQLQIEISA-N -1 1 274.328 1.125 20 0 CDADMM CN(C[C@@H]1CCCOC1)c1cccc(-c2nn[n-]n2)n1 ZINC000095294141 599433665 /nfs/dbraw/zinc/43/36/65/599433665.db2.gz LQFPQWMFINURRJ-JTQLQIEISA-N -1 1 274.328 1.125 20 0 CDADMM CCOC(=O)C[C@H](C)Sc1ccc(-c2nnn[n-]2)nn1 ZINC000825507189 608419631 /nfs/dbraw/zinc/41/96/31/608419631.db2.gz OVTHZYNHAOPYOI-ZETCQYMHSA-N -1 1 294.340 1.091 20 0 CDADMM CCOC(=O)C[C@H](C)Sc1ccc(-c2nn[n-]n2)nn1 ZINC000825507189 608419633 /nfs/dbraw/zinc/41/96/33/608419633.db2.gz OVTHZYNHAOPYOI-ZETCQYMHSA-N -1 1 294.340 1.091 20 0 CDADMM CO[C@@]1(C)C[C@H](Nc2nccnc2-c2nn[n-]n2)C1(C)C ZINC000821678730 599687498 /nfs/dbraw/zinc/68/74/98/599687498.db2.gz RNGMHPZZXSSYOF-SDBXPKJASA-N -1 1 289.343 1.272 20 0 CDADMM CO[C@@]1(C)C[C@H](Nc2nccnc2-c2nnn[n-]2)C1(C)C ZINC000821678730 599687497 /nfs/dbraw/zinc/68/74/97/599687497.db2.gz RNGMHPZZXSSYOF-SDBXPKJASA-N -1 1 289.343 1.272 20 0 CDADMM CCC(C)(C)CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000095162185 599691370 /nfs/dbraw/zinc/69/13/70/599691370.db2.gz VNBQQGWGHKFOGV-UHFFFAOYSA-N -1 1 263.305 1.112 20 0 CDADMM CCCC[C@H](Sc1nc(N)cc(N)n1)C(=O)[O-] ZINC000132417137 599709456 /nfs/dbraw/zinc/70/94/56/599709456.db2.gz GCFCQGONPKXGNI-LURJTMIESA-N -1 1 256.331 1.377 20 0 CDADMM CC[C@H]1CCCCN1C(=O)CNC(C)(C)C(=O)[O-] ZINC000087625781 599830055 /nfs/dbraw/zinc/83/00/55/599830055.db2.gz WHPVKVZRPRLEJD-JTQLQIEISA-N -1 1 256.346 1.230 20 0 CDADMM O=C([O-])[C@H]1CC12CCN(CC(=O)NC1CCCCC1)CC2 ZINC000405412266 600310897 /nfs/dbraw/zinc/31/08/97/600310897.db2.gz VROMTGUJSLJWOV-CYBMUJFWSA-N -1 1 294.395 1.622 20 0 CDADMM CC(C)N(CCC(=O)[O-])CC(=O)Nc1sccc1C#N ZINC000037596105 600394298 /nfs/dbraw/zinc/39/42/98/600394298.db2.gz SHLVZWINUWPYMS-UHFFFAOYSA-N -1 1 295.364 1.743 20 0 CDADMM CCOC(=O)[C@@H](CC)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000829823175 600830744 /nfs/dbraw/zinc/83/07/44/600830744.db2.gz RYIHIYQKFHOVNJ-WDEREUQCSA-N -1 1 269.341 1.515 20 0 CDADMM Cc1ccc(NC(=O)[C@H](C)N(C)C)cc1C(=O)[O-] ZINC000832948311 601138101 /nfs/dbraw/zinc/13/81/01/601138101.db2.gz FBNHWZAKRWADFB-VIFPVBQESA-N -1 1 250.298 1.582 20 0 CDADMM O=C([O-])C[C@@H]1CCCCN1CC(=O)Nc1ccc(O)cc1 ZINC000833207788 601304920 /nfs/dbraw/zinc/30/49/20/601304920.db2.gz PKAONFJWUIBKFZ-LBPRGKRZSA-N -1 1 292.335 1.660 20 0 CDADMM CC[C@H](C)NC(=S)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000828759454 601338141 /nfs/dbraw/zinc/33/81/41/601338141.db2.gz UPUIPJGHBQEGPJ-WDEREUQCSA-N -1 1 287.429 1.140 20 0 CDADMM C/C(=C/CN(C)Cc1ccc([S@](C)=O)cc1)C(=O)[O-] ZINC000825729720 601376920 /nfs/dbraw/zinc/37/69/20/601376920.db2.gz LRVNEGLUBLXCDB-POGDKVGISA-N -1 1 281.377 1.887 20 0 CDADMM O=C([O-])c1cn(CN2C[C@H]3CCCC[C@@H]3C2)nn1 ZINC000833338526 601400888 /nfs/dbraw/zinc/40/08/88/601400888.db2.gz RCHONERQDSGDOO-NXEZZACHSA-N -1 1 250.302 1.056 20 0 CDADMM CNC(=O)CN1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000830991694 601430831 /nfs/dbraw/zinc/43/08/31/601430831.db2.gz LHVIFKXZMLDYLM-NEPJUHHUSA-N -1 1 268.357 1.088 20 0 CDADMM CN1CCC[C@H]1C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000830934976 601496495 /nfs/dbraw/zinc/49/64/95/601496495.db2.gz NJBYKBWUSKLCIG-UONOGXRCSA-N -1 1 288.347 1.291 20 0 CDADMM CC(C)Cc1noc(CN2C[C@H](C(=O)[O-])[C@H](C)C2)n1 ZINC000111254708 601517830 /nfs/dbraw/zinc/51/78/30/601517830.db2.gz DVVCQSSGTKTXMH-ZJUUUORDSA-N -1 1 267.329 1.421 20 0 CDADMM Cc1cc(C(=O)CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c(C)[nH]1 ZINC000832859931 601524721 /nfs/dbraw/zinc/52/47/21/601524721.db2.gz VWWCMUXSPOPXPH-PRHODGIISA-N -1 1 264.325 1.467 20 0 CDADMM CC(C)c1cnc(CN2C[C@H](C)[C@@H](C(=O)[O-])C2)o1 ZINC000700788572 601542263 /nfs/dbraw/zinc/54/22/63/601542263.db2.gz NPQOFEYPLVBXLR-UWVGGRQHSA-N -1 1 252.314 1.951 20 0 CDADMM Cc1ccc(NC(=O)CN2CC[C@](C)(C(=O)[O-])C2)cc1F ZINC000062936109 601910063 /nfs/dbraw/zinc/91/00/63/601910063.db2.gz SMOBRYHAWNAWJX-HNNXBMFYSA-N -1 1 294.326 1.869 20 0 CDADMM C[C@@H](c1nc(C2CC2)no1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000827958196 601933741 /nfs/dbraw/zinc/93/37/41/601933741.db2.gz QNJHXLGIFDZDIE-SDBXPKJASA-N -1 1 265.313 1.805 20 0 CDADMM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000827985878 602008595 /nfs/dbraw/zinc/00/85/95/602008595.db2.gz ONZTYJYULIQWFX-LKFCYVNXSA-N -1 1 277.324 1.153 20 0 CDADMM C[C@H](CO)CSCc1ccnc(-c2nnn[n-]2)c1 ZINC000824442053 607550385 /nfs/dbraw/zinc/55/03/85/607550385.db2.gz TYYNWAPNHMIXJG-MRVPVSSYSA-N -1 1 265.342 1.123 20 0 CDADMM C[C@H](CO)CSCc1ccnc(-c2nn[n-]n2)c1 ZINC000824442053 607550386 /nfs/dbraw/zinc/55/03/86/607550386.db2.gz TYYNWAPNHMIXJG-MRVPVSSYSA-N -1 1 265.342 1.123 20 0 CDADMM CC[C@@](C)(CC(=O)[O-])NCc1nc(-c2ccccn2)no1 ZINC000828672157 602222304 /nfs/dbraw/zinc/22/23/04/602222304.db2.gz NZVLZMIYELEYMN-AWEZNQCLSA-N -1 1 290.323 1.865 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC000833183087 604425518 /nfs/dbraw/zinc/42/55/18/604425518.db2.gz OVNAKUXNIZHZSI-FOGDFJRCSA-N -1 1 291.351 1.794 20 0 CDADMM O=C([O-])c1coc(CN2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000833339987 604681425 /nfs/dbraw/zinc/68/14/25/604681425.db2.gz QBPLIAMULCMQOW-NWDGAFQWSA-N -1 1 283.349 1.684 20 0 CDADMM C[C@@H]1C[C@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833604650 604866829 /nfs/dbraw/zinc/86/68/29/604866829.db2.gz KZGFDUZGTOJTCH-HTRCEHHLSA-N -1 1 259.265 1.856 20 0 CDADMM CC1CCC(=CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])CC1 ZINC000833601231 604900527 /nfs/dbraw/zinc/90/05/27/604900527.db2.gz KKOBHZWFILEOGP-HQVZTVAUSA-N -1 1 291.351 1.658 20 0 CDADMM Cc1ccc2oc(=O)n(CN3CCC[C@@H]3CC(=O)[O-])c2c1 ZINC000832959387 604979857 /nfs/dbraw/zinc/97/98/57/604979857.db2.gz DIKBYTRMITUVIY-LLVKDONJSA-N -1 1 290.319 1.800 20 0 CDADMM O=C([O-])[C@H](O)C1CCN(C[C@@H](O)c2ccccc2F)CC1 ZINC000833770977 604981246 /nfs/dbraw/zinc/98/12/46/604981246.db2.gz SBABMHFWFVMPBV-ZIAGYGMSSA-N -1 1 297.326 1.017 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCCC1CC1 ZINC000833627393 605053496 /nfs/dbraw/zinc/05/34/96/605053496.db2.gz XBONSXMZKXMNMN-GFCCVEGCSA-N -1 1 297.399 1.367 20 0 CDADMM CC(C)c1nc([C@@H](C)NC(=O)C(C)(C)NC(=O)[O-])n[nH]1 ZINC000833512542 605071414 /nfs/dbraw/zinc/07/14/14/605071414.db2.gz PHPCXUYDPCWJFL-SSDOTTSWSA-N -1 1 283.332 1.152 20 0 CDADMM c1cc(NCC2(C3CC3)CC2)nc(-c2nnn[n-]2)c1 ZINC000826516774 607737092 /nfs/dbraw/zinc/73/70/92/607737092.db2.gz AWWHFMCDDJFBQX-UHFFFAOYSA-N -1 1 256.313 1.864 20 0 CDADMM c1cc(NCC2(C3CC3)CC2)nc(-c2nn[n-]n2)c1 ZINC000826516774 607737093 /nfs/dbraw/zinc/73/70/93/607737093.db2.gz AWWHFMCDDJFBQX-UHFFFAOYSA-N -1 1 256.313 1.864 20 0 CDADMM CCn1cc(CNCc2ccc(OCC(=O)[O-])cc2)cn1 ZINC000833682177 605307753 /nfs/dbraw/zinc/30/77/53/605307753.db2.gz LWWYNEHRNGWQKW-UHFFFAOYSA-N -1 1 289.335 1.656 20 0 CDADMM COC(=O)[C@@H]1CCN(C/C=C/Cl)[C@H](C(=O)[O-])C1 ZINC000833710562 605683842 /nfs/dbraw/zinc/68/38/42/605683842.db2.gz WTBNNJROKFBLLN-DTBGECHCSA-N -1 1 261.705 1.077 20 0 CDADMM CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000824211089 605798271 /nfs/dbraw/zinc/79/82/71/605798271.db2.gz MTZXIARCZALXRM-MNOVXSKESA-N -1 1 294.355 1.586 20 0 CDADMM CO[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000821697655 606426411 /nfs/dbraw/zinc/42/64/11/606426411.db2.gz KUUXFTIRKGGIMO-RXMQYKEDSA-N -1 1 286.748 1.202 20 0 CDADMM CO[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000821697655 606426412 /nfs/dbraw/zinc/42/64/12/606426412.db2.gz KUUXFTIRKGGIMO-RXMQYKEDSA-N -1 1 286.748 1.202 20 0 CDADMM c1cc(NC(C2CC2)C2CC2)nc(-c2nnn[n-]2)c1 ZINC000095147298 606445720 /nfs/dbraw/zinc/44/57/20/606445720.db2.gz COMDZVPVRLPOFJ-UHFFFAOYSA-N -1 1 256.313 1.862 20 0 CDADMM c1cc(NC(C2CC2)C2CC2)nc(-c2nn[n-]n2)c1 ZINC000095147298 606445721 /nfs/dbraw/zinc/44/57/21/606445721.db2.gz COMDZVPVRLPOFJ-UHFFFAOYSA-N -1 1 256.313 1.862 20 0 CDADMM OCCN(CC1CC1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823721444 606470143 /nfs/dbraw/zinc/47/01/43/606470143.db2.gz AJENICAMXYTAMU-UHFFFAOYSA-N -1 1 294.746 1.124 20 0 CDADMM OCCN(CC1CC1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823721444 606470145 /nfs/dbraw/zinc/47/01/45/606470145.db2.gz AJENICAMXYTAMU-UHFFFAOYSA-N -1 1 294.746 1.124 20 0 CDADMM OC[C@H]1C=C[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000823727187 606471097 /nfs/dbraw/zinc/47/10/97/606471097.db2.gz SGLPBKVQWKKQAK-JGVFFNPUSA-N -1 1 292.730 1.264 20 0 CDADMM OC[C@H]1C=C[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000823727187 606471099 /nfs/dbraw/zinc/47/10/99/606471099.db2.gz SGLPBKVQWKKQAK-JGVFFNPUSA-N -1 1 292.730 1.264 20 0 CDADMM FC(F)Oc1ccccc1Cn1ccnc1-c1nnn[n-]1 ZINC000822737532 606655207 /nfs/dbraw/zinc/65/52/07/606655207.db2.gz YZUIMLZEOLWTRA-UHFFFAOYSA-N -1 1 292.249 1.713 20 0 CDADMM FC(F)Oc1ccccc1Cn1ccnc1-c1nn[n-]n1 ZINC000822737532 606655208 /nfs/dbraw/zinc/65/52/08/606655208.db2.gz YZUIMLZEOLWTRA-UHFFFAOYSA-N -1 1 292.249 1.713 20 0 CDADMM CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820979786 606816014 /nfs/dbraw/zinc/81/60/14/606816014.db2.gz JXQXZSZRPPQYMP-MWLCHTKSSA-N -1 1 286.339 1.570 20 0 CDADMM CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820979786 606816016 /nfs/dbraw/zinc/81/60/16/606816016.db2.gz JXQXZSZRPPQYMP-MWLCHTKSSA-N -1 1 286.339 1.570 20 0 CDADMM O=C(CC1CCCC1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000095217867 607024597 /nfs/dbraw/zinc/02/45/97/607024597.db2.gz GKXFNIMNCCQJAT-UHFFFAOYSA-N -1 1 278.341 1.842 20 0 CDADMM O=C(CC1CCCC1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000095217867 607024599 /nfs/dbraw/zinc/02/45/99/607024599.db2.gz GKXFNIMNCCQJAT-UHFFFAOYSA-N -1 1 278.341 1.842 20 0 CDADMM COCCCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000821688264 607237523 /nfs/dbraw/zinc/23/75/23/607237523.db2.gz DVXNKHALJLSHIO-UHFFFAOYSA-N -1 1 285.307 1.218 20 0 CDADMM CC1(NC(=O)c2ccc(-c3nnn[n-]3)s2)CCC1 ZINC000824828948 607855033 /nfs/dbraw/zinc/85/50/33/607855033.db2.gz BKQWLKORGQMFKD-UHFFFAOYSA-N -1 1 263.326 1.601 20 0 CDADMM CC1(NC(=O)c2ccc(-c3nn[n-]n3)s2)CCC1 ZINC000824828948 607855034 /nfs/dbraw/zinc/85/50/34/607855034.db2.gz BKQWLKORGQMFKD-UHFFFAOYSA-N -1 1 263.326 1.601 20 0 CDADMM c1cc(CSC2CCOCC2)cc(-c2nnn[n-]2)n1 ZINC000095184246 607893680 /nfs/dbraw/zinc/89/36/80/607893680.db2.gz FUCLDSKCJOJFGS-UHFFFAOYSA-N -1 1 277.353 1.674 20 0 CDADMM c1cc(CSC2CCOCC2)cc(-c2nn[n-]n2)n1 ZINC000095184246 607893681 /nfs/dbraw/zinc/89/36/81/607893681.db2.gz FUCLDSKCJOJFGS-UHFFFAOYSA-N -1 1 277.353 1.674 20 0 CDADMM O=[N+]([O-])c1ccccc1Oc1cccc(-c2nnn[n-]2)n1 ZINC000095167404 607894512 /nfs/dbraw/zinc/89/45/12/607894512.db2.gz MWVVEOUPBJWZEE-UHFFFAOYSA-N -1 1 284.235 1.962 20 0 CDADMM O=[N+]([O-])c1ccccc1Oc1cccc(-c2nn[n-]n2)n1 ZINC000095167404 607894513 /nfs/dbraw/zinc/89/45/13/607894513.db2.gz MWVVEOUPBJWZEE-UHFFFAOYSA-N -1 1 284.235 1.962 20 0 CDADMM OCC[C@@H]1CCCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000095147259 607895016 /nfs/dbraw/zinc/89/50/16/607895016.db2.gz RXYYYTUNDCMDGT-JTQLQIEISA-N -1 1 274.328 1.003 20 0 CDADMM OCC[C@@H]1CCCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000095147259 607895017 /nfs/dbraw/zinc/89/50/17/607895017.db2.gz RXYYYTUNDCMDGT-JTQLQIEISA-N -1 1 274.328 1.003 20 0 CDADMM Cc1ncc(CNc2cccc(-c3nnn[n-]3)n2)s1 ZINC000095334780 607897198 /nfs/dbraw/zinc/89/71/98/607897198.db2.gz POAAQAZSSGAGTB-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1ncc(CNc2cccc(-c3nn[n-]n3)n2)s1 ZINC000095334780 607897199 /nfs/dbraw/zinc/89/71/99/607897199.db2.gz POAAQAZSSGAGTB-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]2C2CC2)c1 ZINC000826513940 607899555 /nfs/dbraw/zinc/89/95/55/607899555.db2.gz BNVXVTAVWNURLY-LLVKDONJSA-N -1 1 256.313 1.641 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]2C2CC2)c1 ZINC000826513940 607899556 /nfs/dbraw/zinc/89/95/56/607899556.db2.gz BNVXVTAVWNURLY-LLVKDONJSA-N -1 1 256.313 1.641 20 0 CDADMM CC[C@](C)(CCO)Nc1cccc(-c2nnn[n-]2)n1 ZINC000825044909 607902071 /nfs/dbraw/zinc/90/20/71/607902071.db2.gz VNJPPTFPEQQZDS-GFCCVEGCSA-N -1 1 262.317 1.225 20 0 CDADMM CC[C@](C)(CCO)Nc1cccc(-c2nn[n-]n2)n1 ZINC000825044909 607902072 /nfs/dbraw/zinc/90/20/72/607902072.db2.gz VNJPPTFPEQQZDS-GFCCVEGCSA-N -1 1 262.317 1.225 20 0 CDADMM CCN(C[C@H]1CCOC1)c1cccc(-c2nnn[n-]2)n1 ZINC000825415583 607903097 /nfs/dbraw/zinc/90/30/97/607903097.db2.gz CNIZHWVJYFFBHA-SNVBAGLBSA-N -1 1 274.328 1.125 20 0 CDADMM CCN(C[C@H]1CCOC1)c1cccc(-c2nn[n-]n2)n1 ZINC000825415583 607903098 /nfs/dbraw/zinc/90/30/98/607903098.db2.gz CNIZHWVJYFFBHA-SNVBAGLBSA-N -1 1 274.328 1.125 20 0 CDADMM C[C@H]1OCC[C@H]1Sc1cccc(-c2nnn[n-]2)n1 ZINC000825021458 607903109 /nfs/dbraw/zinc/90/31/09/607903109.db2.gz QTWGHWPNFIMAAL-VXNVDRBHSA-N -1 1 263.326 1.531 20 0 CDADMM C[C@H]1OCC[C@H]1Sc1cccc(-c2nn[n-]n2)n1 ZINC000825021458 607903110 /nfs/dbraw/zinc/90/31/10/607903110.db2.gz QTWGHWPNFIMAAL-VXNVDRBHSA-N -1 1 263.326 1.531 20 0 CDADMM CS[C@@H](C)CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826225265 607945388 /nfs/dbraw/zinc/94/53/88/607945388.db2.gz XIYWLROGVPDDRH-QMMMGPOBSA-N -1 1 293.352 1.447 20 0 CDADMM CS[C@@H](C)CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826225265 607945389 /nfs/dbraw/zinc/94/53/89/607945389.db2.gz XIYWLROGVPDDRH-QMMMGPOBSA-N -1 1 293.352 1.447 20 0 CDADMM CS[C@H](C)CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826224683 607961765 /nfs/dbraw/zinc/96/17/65/607961765.db2.gz KAVSKXSEVQNDPI-SSDOTTSWSA-N -1 1 293.352 1.652 20 0 CDADMM Fc1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826373871 607988186 /nfs/dbraw/zinc/98/81/86/607988186.db2.gz CFYZSGIMVWPBBM-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM Fc1ccc(CCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826373871 607988187 /nfs/dbraw/zinc/98/81/87/607988187.db2.gz CFYZSGIMVWPBBM-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM C[C@H]1CCC[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824925452 608142434 /nfs/dbraw/zinc/14/24/34/608142434.db2.gz CULFCXJTEOOHGS-ONGXEEELSA-N -1 1 287.323 1.741 20 0 CDADMM C[C@H]1CCC[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824925452 608142435 /nfs/dbraw/zinc/14/24/35/608142435.db2.gz CULFCXJTEOOHGS-ONGXEEELSA-N -1 1 287.323 1.741 20 0 CDADMM C[C@H]1OCC[C@@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000825022588 608148586 /nfs/dbraw/zinc/14/85/86/608148586.db2.gz YUGYTDHZIDZDSD-SVRRBLITSA-N -1 1 280.719 1.504 20 0 CDADMM C[C@H]1OCC[C@@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000825022588 608148587 /nfs/dbraw/zinc/14/85/87/608148587.db2.gz YUGYTDHZIDZDSD-SVRRBLITSA-N -1 1 280.719 1.504 20 0 CDADMM C[C@@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824936296 608404393 /nfs/dbraw/zinc/40/43/93/608404393.db2.gz FQKQSUNCFLZNNJ-ZJUUUORDSA-N -1 1 273.344 1.895 20 0 CDADMM C[C@@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824936296 608404395 /nfs/dbraw/zinc/40/43/95/608404395.db2.gz FQKQSUNCFLZNNJ-ZJUUUORDSA-N -1 1 273.344 1.895 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NCCCOC1CCCC1 ZINC000826515382 608409132 /nfs/dbraw/zinc/40/91/32/608409132.db2.gz XJPXUUNHYRWJSL-UHFFFAOYSA-N -1 1 289.343 1.418 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NCCCOC1CCCC1 ZINC000826515382 608409133 /nfs/dbraw/zinc/40/91/33/608409133.db2.gz XJPXUUNHYRWJSL-UHFFFAOYSA-N -1 1 289.343 1.418 20 0 CDADMM CC(C)C[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824242744 608431130 /nfs/dbraw/zinc/43/11/30/608431130.db2.gz AYMLPDFXICZPPO-LLVKDONJSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)C[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824242744 608431131 /nfs/dbraw/zinc/43/11/31/608431131.db2.gz AYMLPDFXICZPPO-LLVKDONJSA-N -1 1 287.371 1.919 20 0 CDADMM FC(F)(F)CC1CN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826367696 608433096 /nfs/dbraw/zinc/43/30/96/608433096.db2.gz KRLHLQUBLKAHGC-UHFFFAOYSA-N -1 1 285.233 1.045 20 0 CDADMM FC(F)(F)CC1CN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826367696 608433095 /nfs/dbraw/zinc/43/30/95/608433095.db2.gz KRLHLQUBLKAHGC-UHFFFAOYSA-N -1 1 285.233 1.045 20 0 CDADMM c1cc(CNc2ccc(-c3nnn[n-]3)nn2)cc2c1COC2 ZINC000826518535 608434824 /nfs/dbraw/zinc/43/48/24/608434824.db2.gz QSSABRXJCBEBQM-UHFFFAOYSA-N -1 1 295.306 1.299 20 0 CDADMM c1cc(CNc2ccc(-c3nn[n-]n3)nn2)cc2c1COC2 ZINC000826518535 608434825 /nfs/dbraw/zinc/43/48/25/608434825.db2.gz QSSABRXJCBEBQM-UHFFFAOYSA-N -1 1 295.306 1.299 20 0 CDADMM C1=C(CCNc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC000823867968 608437103 /nfs/dbraw/zinc/43/71/03/608437103.db2.gz LETOXWIVYBIMQP-UHFFFAOYSA-N -1 1 257.301 1.569 20 0 CDADMM C1=C(CCNc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC000823867968 608437104 /nfs/dbraw/zinc/43/71/04/608437104.db2.gz LETOXWIVYBIMQP-UHFFFAOYSA-N -1 1 257.301 1.569 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N(C)Cc1ccncc1 ZINC000826280383 608542069 /nfs/dbraw/zinc/54/20/69/608542069.db2.gz ZVCBKSAVCMLNFV-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM C1=C(c2ccccc2)CN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000823868112 608583584 /nfs/dbraw/zinc/58/35/84/608583584.db2.gz NOZGQYCFZJHCAK-UHFFFAOYSA-N -1 1 291.318 1.560 20 0 CDADMM C1=C(c2ccccc2)CN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000823868112 608583585 /nfs/dbraw/zinc/58/35/85/608583585.db2.gz NOZGQYCFZJHCAK-UHFFFAOYSA-N -1 1 291.318 1.560 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CN1Cc2ccccc2C1 ZINC000826523531 608684858 /nfs/dbraw/zinc/68/48/58/608684858.db2.gz PNWDQRHYRBOGFN-UHFFFAOYSA-N -1 1 267.292 1.976 20 0 CDADMM FC(F)CN(Cc1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC000826369766 608692901 /nfs/dbraw/zinc/69/29/01/608692901.db2.gz PTFUJHVMMKHBPN-UHFFFAOYSA-N -1 1 269.255 1.689 20 0 CDADMM FC(F)CN(Cc1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC000826369766 608692904 /nfs/dbraw/zinc/69/29/04/608692904.db2.gz PTFUJHVMMKHBPN-UHFFFAOYSA-N -1 1 269.255 1.689 20 0 CDADMM Cn1c(CCn2ccnc2-c2nnn[n-]2)nc2ccccc21 ZINC000826355336 608888499 /nfs/dbraw/zinc/88/84/99/608888499.db2.gz VAZJWZHCVDTVGN-UHFFFAOYSA-N -1 1 294.322 1.193 20 0 CDADMM Cn1c(CCn2ccnc2-c2nn[n-]n2)nc2ccccc21 ZINC000826355336 608888501 /nfs/dbraw/zinc/88/85/01/608888501.db2.gz VAZJWZHCVDTVGN-UHFFFAOYSA-N -1 1 294.322 1.193 20 0 CDADMM CCCCCN1CC(=O)N[C@@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000825275819 609506490 /nfs/dbraw/zinc/50/64/90/609506490.db2.gz CDQDLKOJUFHHSC-ZDUSSCGKSA-N -1 1 290.327 1.080 20 0 CDADMM CCCCCN1CC(=O)N[C@@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000825275819 609506493 /nfs/dbraw/zinc/50/64/93/609506493.db2.gz CDQDLKOJUFHHSC-ZDUSSCGKSA-N -1 1 290.327 1.080 20 0 CDADMM C[C@H]1OCC[C@]1(C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000825012850 609593647 /nfs/dbraw/zinc/59/36/47/609593647.db2.gz MNQWDDNKXRYAPM-PELKAZGASA-N -1 1 260.301 1.241 20 0 CDADMM C[C@H]1OCC[C@]1(C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000825012850 609593650 /nfs/dbraw/zinc/59/36/50/609593650.db2.gz MNQWDDNKXRYAPM-PELKAZGASA-N -1 1 260.301 1.241 20 0 CDADMM Cc1[nH]nc(C(=O)N2CC3(CC3)Oc3ccccc32)c1[O-] ZINC000890620585 617234722 /nfs/dbraw/zinc/23/47/22/617234722.db2.gz OEOFPMRRCQFDPJ-UHFFFAOYSA-N -1 1 285.303 1.996 20 0 CDADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H](O)[C@H](F)C1 ZINC000890707954 617292242 /nfs/dbraw/zinc/29/22/42/617292242.db2.gz WZLDJVHWRQWQPZ-MWLCHTKSSA-N -1 1 273.691 1.591 20 0 CDADMM O=C(N[C@@H]1COC[C@H]1C1CC1)c1c(F)ccc([O-])c1F ZINC000891047942 617356369 /nfs/dbraw/zinc/35/63/69/617356369.db2.gz UHDBYXDEGIIIRT-WCBMZHEXSA-N -1 1 283.274 1.825 20 0 CDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC/C=C/Cl ZINC000891208332 617381221 /nfs/dbraw/zinc/38/12/21/617381221.db2.gz IFXRXHLWHWLYGI-ONEGZZNKSA-N -1 1 294.742 1.463 20 0 CDADMM CC(C)C(=O)N1CC[C@H]1CN(C)C(=O)c1ncccc1[O-] ZINC000977617757 614393542 /nfs/dbraw/zinc/39/35/42/614393542.db2.gz LRDXFOOHGGCHCY-NSHDSACASA-N -1 1 291.351 1.116 20 0 CDADMM CCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2ncccc2[O-])C1 ZINC000958981887 614663426 /nfs/dbraw/zinc/66/34/26/614663426.db2.gz AFECADKPMBJIMW-GHMZBOCLSA-N -1 1 291.351 1.164 20 0 CDADMM CCCC(=O)N1CC[C@](C)(NC(=O)c2ncccc2[O-])C1 ZINC000956848488 614848397 /nfs/dbraw/zinc/84/83/97/614848397.db2.gz BBVAHWMQYVBLLN-HNNXBMFYSA-N -1 1 291.351 1.308 20 0 CDADMM Cn1nccc1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891622815 617509119 /nfs/dbraw/zinc/50/91/19/617509119.db2.gz GICBBNVANABNQB-UHFFFAOYSA-N -1 1 273.296 1.047 20 0 CDADMM CCOc1cc(C(=O)N2CC[C@@H]2CO)cc(Cl)c1[O-] ZINC000889125915 617606784 /nfs/dbraw/zinc/60/67/84/617606784.db2.gz JKISPXHUODUNHX-SECBINFHSA-N -1 1 285.727 1.651 20 0 CDADMM CC[C@@H]1CN(c2cc(=O)[n-]c(COC)n2)CCS1 ZINC000892731140 617672518 /nfs/dbraw/zinc/67/25/18/617672518.db2.gz AXRFGUMBHMKIGH-SECBINFHSA-N -1 1 269.370 1.660 20 0 CDADMM CC[C@H](C)[C@H](NC(=O)CN1CCCC[C@H]1CC)C(=O)[O-] ZINC000036100938 617695088 /nfs/dbraw/zinc/69/50/88/617695088.db2.gz AIOZCBXBXPOMQQ-SCRDCRAPSA-N -1 1 284.400 1.866 20 0 CDADMM CCCCc1noc(CN2C[C@H](C(=O)[O-])[C@H](C)C2)n1 ZINC000223827409 617765503 /nfs/dbraw/zinc/76/55/03/617765503.db2.gz GDNVYKLKJMQITN-ZJUUUORDSA-N -1 1 267.329 1.565 20 0 CDADMM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)N(C)C ZINC000909369195 617970403 /nfs/dbraw/zinc/97/04/03/617970403.db2.gz BTOLINYTSXMUSV-BXKDBHETSA-N -1 1 298.770 1.922 20 0 CDADMM C[C@H]1[C@H](CO)CCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000910559287 618300697 /nfs/dbraw/zinc/30/06/97/618300697.db2.gz JIQUNBUDMYUURO-ONGXEEELSA-N -1 1 291.351 1.293 20 0 CDADMM C[C@](CCF)(NCc1cn(-c2ccccc2)nn1)C(=O)[O-] ZINC000901916364 618336664 /nfs/dbraw/zinc/33/66/64/618336664.db2.gz VBLGLXJQDCJFKF-CQSZACIVSA-N -1 1 292.314 1.560 20 0 CDADMM COC(=O)c1cccc(Cl)c1COC(=O)c1cn[n-]n1 ZINC000805603512 618359157 /nfs/dbraw/zinc/35/91/57/618359157.db2.gz OTEWDDPFSYRPPE-UHFFFAOYSA-N -1 1 295.682 1.602 20 0 CDADMM COCc1nc(N(C)[C@@H](CO)CC(C)(C)C)cc(=O)[n-]1 ZINC000894094659 618371981 /nfs/dbraw/zinc/37/19/81/618371981.db2.gz CQGQLXPCIZGHOY-SNVBAGLBSA-N -1 1 283.372 1.562 20 0 CDADMM C[C@@H]1CN(Cc2cccc3cnccc32)C[C@@H](C(=O)[O-])O1 ZINC000901934459 618372416 /nfs/dbraw/zinc/37/24/16/618372416.db2.gz SXSFEINHVWGRDE-ABAIWWIYSA-N -1 1 286.331 1.909 20 0 CDADMM O=C([O-])CCN(Cc1ccnn1CC1CC1)C1CC1 ZINC000901973110 618411851 /nfs/dbraw/zinc/41/18/51/618411851.db2.gz XSEYKXIYBIOFCR-UHFFFAOYSA-N -1 1 263.341 1.732 20 0 CDADMM CO[C@@H]1CCN(Cc2ccsc2)[C@@H](C(=O)[O-])C1 ZINC000902030289 618475039 /nfs/dbraw/zinc/47/50/39/618475039.db2.gz BACGZRVRFIDRAP-GHMZBOCLSA-N -1 1 255.339 1.812 20 0 CDADMM CC(C)C1CCN(C(=O)C[N@H+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000909412073 619102449 /nfs/dbraw/zinc/10/24/49/619102449.db2.gz HACDPKIEEAQSNC-AWEZNQCLSA-N -1 1 296.411 1.678 20 0 CDADMM C[C@H](Cc1ccc(NC(=O)[C@H](C)N(C)C)cc1)C(=O)[O-] ZINC000909521669 619669829 /nfs/dbraw/zinc/66/98/29/619669829.db2.gz WDRDSONXCXIMAV-MNOVXSKESA-N -1 1 278.352 1.838 20 0 CDADMM O=c1nc(N[C@@H]2CCCc3ccccc3C2)nc2[nH][n-]cc1-2 ZINC000896975542 620334388 /nfs/dbraw/zinc/33/43/88/620334388.db2.gz FBPHTFGZDUCDKC-GFCCVEGCSA-N -1 1 295.346 1.792 20 0 CDADMM O=C(CN1CCC[C@@H](C(=O)[O-])C1)N[C@H]1CC12CCCCC2 ZINC000909584527 620460358 /nfs/dbraw/zinc/46/03/58/620460358.db2.gz GSHGZOGWUDBDNZ-OLZOCXBDSA-N -1 1 294.395 1.622 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1COC[C@@H]1C ZINC000928901158 620605805 /nfs/dbraw/zinc/60/58/05/620605805.db2.gz NTUSFJJHNQZIMN-WPRPVWTQSA-N -1 1 279.340 1.379 20 0 CDADMM CC(C)(NC(=O)c1ccc([O-])c(Cl)c1)c1c[nH]nn1 ZINC000898154174 621349840 /nfs/dbraw/zinc/34/98/40/621349840.db2.gz YDVAPIGEGXEHMP-UHFFFAOYSA-N -1 1 280.715 1.829 20 0 CDADMM C[C@H]1CCCC[C@H]1C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898755377 621860424 /nfs/dbraw/zinc/86/04/24/621860424.db2.gz QCZZNKXJOQCDKD-DTWKUNHWSA-N -1 1 265.313 1.330 20 0 CDADMM CC[C@@H](C)CCC(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898755880 621860898 /nfs/dbraw/zinc/86/08/98/621860898.db2.gz YZPFQEPCDQLPOD-MRVPVSSYSA-N -1 1 253.302 1.330 20 0 CDADMM O=C(NCc1nc([O-])cc(=O)[nH]1)[C@H](c1ccccc1)C1CC1 ZINC000898757000 621861511 /nfs/dbraw/zinc/86/15/11/621861511.db2.gz NOUSKYYIAPSFLZ-OAHLLOKOSA-N -1 1 299.330 1.698 20 0 CDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898754138 621865160 /nfs/dbraw/zinc/86/51/60/621865160.db2.gz FVXSTSGVFHKDOS-DTWKUNHWSA-N -1 1 279.340 1.576 20 0 CDADMM O=C(NC/C=C/Cl)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000899034736 622028013 /nfs/dbraw/zinc/02/80/13/622028013.db2.gz YYKGXVGDMLVZOH-OWOJBTEDSA-N -1 1 299.680 1.059 20 0 CDADMM O=C(N[C@@H](CO)C[C@H]1CCCO1)c1c([O-])cccc1F ZINC000899287302 622156245 /nfs/dbraw/zinc/15/62/45/622156245.db2.gz GMJLUHDBYZGQAC-NXEZZACHSA-N -1 1 283.299 1.191 20 0 CDADMM CC[C@@H](C)[C@@H](O)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901073014 623855006 /nfs/dbraw/zinc/85/50/06/623855006.db2.gz LMQXORFQRJOYKH-KCJUWKMLSA-N -1 1 279.340 1.196 20 0 CDADMM C/C(=C(/F)C(=O)N1CCC[C@H](c2nn[n-]n2)C1)C1CC1 ZINC000901177768 623962878 /nfs/dbraw/zinc/96/28/78/623962878.db2.gz UPBVLUAAUDWWBE-DFYQSJSGSA-N -1 1 279.319 1.559 20 0 CDADMM C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)NC(C)(C)CCC(=O)[O-] ZINC000901444701 624255437 /nfs/dbraw/zinc/25/54/37/624255437.db2.gz HYCPEGPIBOZUDT-TVQRCGJNSA-N -1 1 293.367 1.835 20 0 CDADMM CCCN(CC(=O)[O-])C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000901491023 624293050 /nfs/dbraw/zinc/29/30/50/624293050.db2.gz RUQAMJRYWIODOE-TVQRCGJNSA-N -1 1 279.340 1.399 20 0 CDADMM O=C([O-])C[C@@H]1CN(Cc2cccc3c2CCC3)CCO1 ZINC000901504463 624306890 /nfs/dbraw/zinc/30/68/90/624306890.db2.gz ZHVHLWQIZNRNGG-CQSZACIVSA-N -1 1 275.348 1.851 20 0 CDADMM C[C@@H](CN(C)Cc1nc2c(s1)CCC2)C(=O)[O-] ZINC000901595778 624353171 /nfs/dbraw/zinc/35/31/71/624353171.db2.gz CKKMIUBKAXGMDF-QMMMGPOBSA-N -1 1 254.355 1.784 20 0 CDADMM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000901658738 624396614 /nfs/dbraw/zinc/39/66/14/624396614.db2.gz XLWYLXQPSUGVGH-UKKRHICBSA-N -1 1 277.324 1.225 20 0 CDADMM O=C([O-])c1ccccc1CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000901767830 624442215 /nfs/dbraw/zinc/44/22/15/624442215.db2.gz 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CC[C@@H](CO)N1CCN(Cc2cc(C(=O)[O-])cs2)CC1 ZINC001605045944 1163429409 /nfs/dbraw/zinc/42/94/09/1163429409.db2.gz JZOJHNSTLFMLCK-LBPRGKRZSA-N -1 1 298.408 1.335 20 0 CDADMM CO[C@H]1CCCC[C@@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001605152483 1163469240 /nfs/dbraw/zinc/46/92/40/1163469240.db2.gz KMZUCGSTLBKNSX-WPRPVWTQSA-N -1 1 275.316 1.026 20 0 CDADMM CO[C@H]1CCCC[C@@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001605152483 1163469242 /nfs/dbraw/zinc/46/92/42/1163469242.db2.gz KMZUCGSTLBKNSX-WPRPVWTQSA-N -1 1 275.316 1.026 20 0 CDADMM CCN(C)C(=O)CNCc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001605406986 1163553236 /nfs/dbraw/zinc/55/32/36/1163553236.db2.gz VTTBIYIIGVJCQI-UHFFFAOYSA-N -1 1 279.340 1.158 20 0 CDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCCC1 ZINC001605442480 1163564901 /nfs/dbraw/zinc/56/49/01/1163564901.db2.gz UYYRHZLZMACTIJ-VIFPVBQESA-N -1 1 287.323 1.997 20 0 CDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CCCC1 ZINC001605442480 1163564907 /nfs/dbraw/zinc/56/49/07/1163564907.db2.gz UYYRHZLZMACTIJ-VIFPVBQESA-N -1 1 287.323 1.997 20 0 CDADMM CC[N@@H+](Cc1cc(C(=O)[O-])ccc1OC)[C@@H](C)C(=O)[O-] ZINC001605454222 1163571623 /nfs/dbraw/zinc/57/16/23/1163571623.db2.gz HOHPSLNHYSNQHT-VIFPVBQESA-N -1 1 281.308 1.688 20 0 CDADMM CCOC(=O)[C@@H]1CCCCN1CC1(CC(=O)[O-])CC1 ZINC001605524571 1163597634 /nfs/dbraw/zinc/59/76/34/1163597634.db2.gz KLVGFXZJMGSPKY-NSHDSACASA-N -1 1 269.341 1.659 20 0 CDADMM Cc1cc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)ccn1 ZINC001605716870 1163648455 /nfs/dbraw/zinc/64/84/55/1163648455.db2.gz UBHZLLUNZPIPIZ-UHFFFAOYSA-N -1 1 298.281 1.383 20 0 CDADMM Cc1cc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)ccn1 ZINC001605716870 1163648457 /nfs/dbraw/zinc/64/84/57/1163648457.db2.gz UBHZLLUNZPIPIZ-UHFFFAOYSA-N -1 1 298.281 1.383 20 0 CDADMM CCc1cc(CN[C@@H](C)c2cncc(C(=O)[O-])c2)n[nH]1 ZINC001605798762 1163673313 /nfs/dbraw/zinc/67/33/13/1163673313.db2.gz XDAJOUBKXIPFAB-VIFPVBQESA-N -1 1 274.324 1.916 20 0 CDADMM CCc1cc(CN[C@@H](C)c2cncc(C(=O)[O-])c2)[nH]n1 ZINC001605798762 1163673316 /nfs/dbraw/zinc/67/33/16/1163673316.db2.gz XDAJOUBKXIPFAB-VIFPVBQESA-N -1 1 274.324 1.916 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCC[C@H]1CCCOC1 ZINC001605804415 1163676503 /nfs/dbraw/zinc/67/65/03/1163676503.db2.gz KYLJYGMWBPWPMH-LLVKDONJSA-N -1 1 288.355 1.799 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCCCC(C)(C)CO ZINC001605803693 1163676943 /nfs/dbraw/zinc/67/69/43/1163676943.db2.gz DGTFHMXSAZPRLZ-UHFFFAOYSA-N -1 1 290.371 1.781 20 0 CDADMM CCn1nc(C)c(CN[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)n1 ZINC001605940186 1163721200 /nfs/dbraw/zinc/72/12/00/1163721200.db2.gz WRURKRYBNGEMBB-WHOHXGKFSA-N -1 1 278.356 1.195 20 0 CDADMM Cc1n[nH]cc1CNc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001606014642 1163744602 /nfs/dbraw/zinc/74/46/02/1163744602.db2.gz PJKWGYBAPPJUIR-UHFFFAOYSA-N -1 1 285.315 1.111 20 0 CDADMM CN(C)c1ccc(CNCc2ccoc2C(=O)[O-])cn1 ZINC001606055407 1163757577 /nfs/dbraw/zinc/75/75/77/1163757577.db2.gz HGILKTNANJDFQE-UHFFFAOYSA-N -1 1 275.308 1.729 20 0 CDADMM Cn1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)o3)n2)c1 ZINC001606246531 1163826519 /nfs/dbraw/zinc/82/65/19/1163826519.db2.gz RQYIFUIGYIEIPW-UHFFFAOYSA-N -1 1 283.251 1.515 20 0 CDADMM Cn1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)o3)n2)c1 ZINC001606246531 1163826523 /nfs/dbraw/zinc/82/65/23/1163826523.db2.gz RQYIFUIGYIEIPW-UHFFFAOYSA-N -1 1 283.251 1.515 20 0 CDADMM Fc1ccc([C@@H]2CCN2c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001606317414 1163857848 /nfs/dbraw/zinc/85/78/48/1163857848.db2.gz YUJBHHYKSPEOIH-LBPRGKRZSA-N -1 1 297.297 1.747 20 0 CDADMM Fc1ccc([C@@H]2CCN2c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001606317414 1163857852 /nfs/dbraw/zinc/85/78/52/1163857852.db2.gz YUJBHHYKSPEOIH-LBPRGKRZSA-N -1 1 297.297 1.747 20 0 CDADMM COC(=O)NC1CCN(Cc2cc(C(=O)[O-])oc2C)CC1 ZINC001606493892 1163916031 /nfs/dbraw/zinc/91/60/31/1163916031.db2.gz MIQGKSOLGFHKEE-UHFFFAOYSA-N -1 1 296.323 1.607 20 0 CDADMM O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(-c2nnn[n-]2)o1 ZINC001606727040 1163972645 /nfs/dbraw/zinc/97/26/45/1163972645.db2.gz MBAIRWDUHPIYQI-UTLUCORTSA-N -1 1 287.323 1.626 20 0 CDADMM O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(-c2nn[n-]n2)o1 ZINC001606727040 1163972654 /nfs/dbraw/zinc/97/26/54/1163972654.db2.gz MBAIRWDUHPIYQI-UTLUCORTSA-N -1 1 287.323 1.626 20 0 CDADMM O=C(NCCCC1CCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606764161 1163987366 /nfs/dbraw/zinc/98/73/66/1163987366.db2.gz NNCJMQQUQHEXLE-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM O=C(NCCCC1CCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606764161 1163987373 /nfs/dbraw/zinc/98/73/73/1163987373.db2.gz NNCJMQQUQHEXLE-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H](F)c1ccccc1 ZINC001606946304 1164036041 /nfs/dbraw/zinc/03/60/41/1164036041.db2.gz ZLEHMDGAXSDVKI-VIFPVBQESA-N -1 1 287.258 1.239 20 0 CDADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CCCC1 ZINC001606994176 1164054277 /nfs/dbraw/zinc/05/42/77/1164054277.db2.gz SEVPHISPWXXWGC-UHFFFAOYSA-N -1 1 282.307 1.584 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@@H]1C1CCC1 ZINC001607030596 1164065841 /nfs/dbraw/zinc/06/58/41/1164065841.db2.gz KAIKERKAHCRODZ-LLVKDONJSA-N -1 1 287.323 1.864 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@@H]1C1CCC1 ZINC001607030596 1164065846 /nfs/dbraw/zinc/06/58/46/1164065846.db2.gz KAIKERKAHCRODZ-LLVKDONJSA-N -1 1 287.323 1.864 20 0 CDADMM Oc1ccc2c(c1)[C@H](Nc1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001607110934 1164091573 /nfs/dbraw/zinc/09/15/73/1164091573.db2.gz MRJFZZVTXPBVER-LLVKDONJSA-N -1 1 295.306 1.462 20 0 CDADMM Oc1ccc2c(c1)[C@H](Nc1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001607110934 1164091581 /nfs/dbraw/zinc/09/15/81/1164091581.db2.gz MRJFZZVTXPBVER-LLVKDONJSA-N -1 1 295.306 1.462 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC[C@@H]1CCCC12CC2 ZINC001607116799 1164096922 /nfs/dbraw/zinc/09/69/22/1164096922.db2.gz VABZKIRZZDMXGA-VIFPVBQESA-N -1 1 271.328 1.649 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC[C@@H]1CCCC12CC2 ZINC001607116799 1164096928 /nfs/dbraw/zinc/09/69/28/1164096928.db2.gz VABZKIRZZDMXGA-VIFPVBQESA-N -1 1 271.328 1.649 20 0 CDADMM c1cc(NCC2CCCCCCC2)nc(-c2nn[n-]n2)n1 ZINC001607121246 1164103255 /nfs/dbraw/zinc/10/32/55/1164103255.db2.gz MKEQPIJLAFKRDR-UHFFFAOYSA-N -1 1 287.371 1.851 20 0 CDADMM c1cc(NCC2(CC3CC3)CC2)nc(-c2nn[n-]n2)n1 ZINC001607121696 1164106533 /nfs/dbraw/zinc/10/65/33/1164106533.db2.gz UPLMUESRXUDCNJ-UHFFFAOYSA-N -1 1 271.328 1.071 20 0 CDADMM c1ccc([C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001607129650 1164109811 /nfs/dbraw/zinc/10/98/11/1164109811.db2.gz NNOWLUCIZKMBIJ-GFCCVEGCSA-N -1 1 293.334 1.651 20 0 CDADMM c1ccc([C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001607129650 1164109816 /nfs/dbraw/zinc/10/98/16/1164109816.db2.gz NNOWLUCIZKMBIJ-GFCCVEGCSA-N -1 1 293.334 1.651 20 0 CDADMM c1ccc2c(c1)OC[C@H]2CNc1cc(-c2nnn[n-]2)ncn1 ZINC001607131681 1164110940 /nfs/dbraw/zinc/11/09/40/1164110940.db2.gz HXWKYWBJFKWOFE-SECBINFHSA-N -1 1 295.306 1.245 20 0 CDADMM c1ccc2c(c1)OC[C@H]2CNc1cc(-c2nn[n-]n2)ncn1 ZINC001607131681 1164110945 /nfs/dbraw/zinc/11/09/45/1164110945.db2.gz HXWKYWBJFKWOFE-SECBINFHSA-N -1 1 295.306 1.245 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@H]2CCCOC2)c1 ZINC001607133590 1164112465 /nfs/dbraw/zinc/11/24/65/1164112465.db2.gz KLGNKACNIIHUNW-SECBINFHSA-N -1 1 260.301 1.100 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@H]2CCCOC2)c1 ZINC001607133590 1164112468 /nfs/dbraw/zinc/11/24/68/1164112468.db2.gz KLGNKACNIIHUNW-SECBINFHSA-N -1 1 260.301 1.100 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NC[C@H]1CC2CCC1CC2 ZINC001607136209 1164115122 /nfs/dbraw/zinc/11/51/22/1164115122.db2.gz ADOHXUZCGYDJPK-VQXHTEKXSA-N -1 1 285.355 1.895 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NC[C@H]1CC2CCC1CC2 ZINC001607136209 1164115125 /nfs/dbraw/zinc/11/51/25/1164115125.db2.gz ADOHXUZCGYDJPK-VQXHTEKXSA-N -1 1 285.355 1.895 20 0 CDADMM C[C@@H]1CN(Cc2cc(C(=O)[O-])n(C)c2)CCS1 ZINC001607437816 1164180660 /nfs/dbraw/zinc/18/06/60/1164180660.db2.gz GGFNBCJCQZVCJP-SECBINFHSA-N -1 1 254.355 1.661 20 0 CDADMM Cc1cc(CCC(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])n[nH]1 ZINC001607637951 1164249069 /nfs/dbraw/zinc/24/90/69/1164249069.db2.gz NDAAWZLKMKGFOU-IUODEOHRSA-N -1 1 293.367 1.800 20 0 CDADMM Cc1cc(CN[C@@H](C)c2cn(C)nc2C)[nH]c1C(=O)[O-] ZINC001607647247 1164257829 /nfs/dbraw/zinc/25/78/29/1164257829.db2.gz PVGMIFXPWDBRMW-VIFPVBQESA-N -1 1 276.340 1.914 20 0 CDADMM Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001607781173 1164292959 /nfs/dbraw/zinc/29/29/59/1164292959.db2.gz SJOFJWLDQMJLSM-GFCCVEGCSA-N -1 1 277.320 1.990 20 0 CDADMM Cc1nn(C)cc1CN[C@@](C)(CC(=O)[O-])c1ccccn1 ZINC001608003107 1164371513 /nfs/dbraw/zinc/37/15/13/1164371513.db2.gz GVAYYXHWUBPSFY-HNNXBMFYSA-N -1 1 288.351 1.603 20 0 CDADMM NCc1cc(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])co1 ZINC001608256540 1164471268 /nfs/dbraw/zinc/47/12/68/1164471268.db2.gz ADQRXJFXLXWUPC-NSHDSACASA-N -1 1 294.351 1.749 20 0 CDADMM NCc1cc(C(=O)NCC2(C(=O)[O-])CCCCC2)co1 ZINC001608256652 1164471508 /nfs/dbraw/zinc/47/15/08/1164471508.db2.gz FELPIKZDSQQRFH-UHFFFAOYSA-N -1 1 280.324 1.503 20 0 CDADMM O=C([O-])[C@@H](NC(=O)c1cc(F)cc(F)c1O)C1CC1 ZINC001608384445 1164502179 /nfs/dbraw/zinc/50/21/79/1164502179.db2.gz IHXAVBYNGIRMPL-VIFPVBQESA-N -1 1 271.219 1.263 20 0 CDADMM O=C([O-])/C=C\c1ccc(CN2CCC(O)CC2)o1 ZINC001608659522 1164593822 /nfs/dbraw/zinc/59/38/22/1164593822.db2.gz RGNYTLLNPYWNMI-ARJAWSKDSA-N -1 1 251.282 1.334 20 0 CDADMM O=C([O-])CC[C@@H]1CCCN(Cc2cc(=O)c(O)co2)C1 ZINC001608707781 1164612959 /nfs/dbraw/zinc/61/29/59/1164612959.db2.gz KKWNVGZZTXTJLJ-JTQLQIEISA-N -1 1 281.308 1.422 20 0 CDADMM O=C([O-])CNC(=O)[C@@H]1CCCN1Cc1ccccc1CF ZINC001608750226 1164629332 /nfs/dbraw/zinc/62/93/32/1164629332.db2.gz CKXVNYJFHALSDP-ZDUSSCGKSA-N -1 1 294.326 1.321 20 0 CDADMM O=C([O-])Cc1ccc(CNC(=O)c2c[nH]c(C3CC3)n2)cc1 ZINC001608776270 1164634941 /nfs/dbraw/zinc/63/49/41/1164634941.db2.gz ADQIMIJHFSSNFT-UHFFFAOYSA-N -1 1 299.330 1.844 20 0 CDADMM O=C([O-])c1ccc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)s1 ZINC001608900392 1164680605 /nfs/dbraw/zinc/68/06/05/1164680605.db2.gz ZCGRHGDHVVSZQB-SSDOTTSWSA-N -1 1 291.332 1.913 20 0 CDADMM O=C([O-])c1occc1CN1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC001609004941 1164718836 /nfs/dbraw/zinc/71/88/36/1164718836.db2.gz FCYHHGVIYLJMDT-SCZZXKLOSA-N -1 1 293.241 1.723 20 0 CDADMM C=Cn1cc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)cn1 ZINC001609059680 1164751347 /nfs/dbraw/zinc/75/13/47/1164751347.db2.gz DKQIYZSZTKPQNF-UHFFFAOYSA-N -1 1 297.326 1.376 20 0 CDADMM C=Cn1cc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)cn1 ZINC001609059680 1164751352 /nfs/dbraw/zinc/75/13/52/1164751352.db2.gz DKQIYZSZTKPQNF-UHFFFAOYSA-N -1 1 297.326 1.376 20 0 CDADMM CC(C)N(CC1CC1)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609098314 1164769912 /nfs/dbraw/zinc/76/99/12/1164769912.db2.gz DZVAZPGYGYGOCN-UHFFFAOYSA-N -1 1 286.339 1.522 20 0 CDADMM CC(C)N(CC1CC1)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609098314 1164769919 /nfs/dbraw/zinc/76/99/19/1164769919.db2.gz DZVAZPGYGYGOCN-UHFFFAOYSA-N -1 1 286.339 1.522 20 0 CDADMM CC(C)OCCCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609101445 1164771944 /nfs/dbraw/zinc/77/19/44/1164771944.db2.gz QTPHJHGJQUMIOA-UHFFFAOYSA-N -1 1 279.300 1.005 20 0 CDADMM CC(C)OCCCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609101445 1164771950 /nfs/dbraw/zinc/77/19/50/1164771950.db2.gz QTPHJHGJQUMIOA-UHFFFAOYSA-N -1 1 279.300 1.005 20 0 CDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccsc1 ZINC001609126264 1164784259 /nfs/dbraw/zinc/78/42/59/1164784259.db2.gz MLWIQTGKAPMCQH-ZETCQYMHSA-N -1 1 273.325 1.891 20 0 CDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccsc1 ZINC001609126264 1164784266 /nfs/dbraw/zinc/78/42/66/1164784266.db2.gz MLWIQTGKAPMCQH-ZETCQYMHSA-N -1 1 273.325 1.891 20 0 CDADMM CC1(C)CC[C@H](NC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001609144691 1164792934 /nfs/dbraw/zinc/79/29/34/1164792934.db2.gz JCWYZBASVRWZLU-JTQLQIEISA-N -1 1 286.339 1.570 20 0 CDADMM CC1(C)CC[C@H](NC(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001609144691 1164792939 /nfs/dbraw/zinc/79/29/39/1164792939.db2.gz JCWYZBASVRWZLU-JTQLQIEISA-N -1 1 286.339 1.570 20 0 CDADMM C[C@@H]1CC(Nc2ccnc(-c3nnn[n-]3)c2)C[C@@H](C)O1 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Cc1cccc(CN(C)c2cc(C)nc(-c3nnn[n-]3)c2)n1 ZINC001609431625 1164942907 /nfs/dbraw/zinc/94/29/07/1164942907.db2.gz UFUUTQOUUSIJIF-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1cccc(CN(C)c2cc(C)nc(-c3nn[n-]n3)c2)n1 ZINC001609431625 1164942913 /nfs/dbraw/zinc/94/29/13/1164942913.db2.gz UFUUTQOUUSIJIF-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccc(N[C@@H](C)C[C@H]2CCOC2)nc1-c1nnn[n-]1 ZINC001609426577 1164944403 /nfs/dbraw/zinc/94/44/03/1164944403.db2.gz AHKVBIMNQIXROM-WDEREUQCSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(N[C@@H](C)C[C@H]2CCOC2)nc1-c1nn[n-]n1 ZINC001609426577 1164944406 /nfs/dbraw/zinc/94/44/06/1164944406.db2.gz AHKVBIMNQIXROM-WDEREUQCSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccncc1[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609439230 1164947544 /nfs/dbraw/zinc/94/75/44/1164947544.db2.gz SCCSSWBBOWABGZ-SECBINFHSA-N -1 1 298.306 1.654 20 0 CDADMM Cc1nnc(Oc2cccc(C=O)c2)c(-c2nnn[n-]2)c1C ZINC001609461482 1164958549 /nfs/dbraw/zinc/95/85/49/1164958549.db2.gz DHXKJVKJLQBYSK-UHFFFAOYSA-N -1 1 296.290 1.878 20 0 CDADMM Cc1nnc(Oc2cccc(C=O)c2)c(-c2nn[n-]n2)c1C ZINC001609461482 1164958551 /nfs/dbraw/zinc/95/85/51/1164958551.db2.gz DHXKJVKJLQBYSK-UHFFFAOYSA-N -1 1 296.290 1.878 20 0 CDADMM Cc1ncc(CN(C)c2cnc(-c3nnn[n-]3)cn2)s1 ZINC001609455866 1164959147 /nfs/dbraw/zinc/95/91/47/1164959147.db2.gz QHMIPLBONDLZLK-UHFFFAOYSA-N -1 1 288.340 1.058 20 0 CDADMM Cc1ncc(CN(C)c2cnc(-c3nn[n-]n3)cn2)s1 ZINC001609455866 1164959155 /nfs/dbraw/zinc/95/91/55/1164959155.db2.gz QHMIPLBONDLZLK-UHFFFAOYSA-N -1 1 288.340 1.058 20 0 CDADMM Cc1nsc(N(C)C[C@@H]2CCC[C@@H]2O)c1-c1nn[n-]n1 ZINC001609464010 1164962432 /nfs/dbraw/zinc/96/24/32/1164962432.db2.gz LYNPYYGROBRJJI-IUCAKERBSA-N -1 1 294.384 1.229 20 0 CDADMM ClC1(Cl)C[C@H]1COc1cnc(-c2nn[n-]n2)nc1 ZINC001609472274 1164963544 /nfs/dbraw/zinc/96/35/44/1164963544.db2.gz WUQRABNUFMCMGQ-YFKPBYRVSA-N -1 1 287.110 1.229 20 0 CDADMM OC[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001609608977 1165004301 /nfs/dbraw/zinc/00/43/01/1165004301.db2.gz CQXBDXBOXDWSIT-CYBMUJFWSA-N -1 1 288.355 1.037 20 0 CDADMM OC[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001609608977 1165004303 /nfs/dbraw/zinc/00/43/03/1165004303.db2.gz CQXBDXBOXDWSIT-CYBMUJFWSA-N -1 1 288.355 1.037 20 0 CDADMM O[C@@H]1CCC[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001609611100 1165005271 /nfs/dbraw/zinc/00/52/71/1165005271.db2.gz IPLSNVKXZCYIAD-RFZPGFLSSA-N -1 1 286.748 1.302 20 0 CDADMM O[C@@H]1CCC[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001609611100 1165005277 /nfs/dbraw/zinc/00/52/77/1165005277.db2.gz IPLSNVKXZCYIAD-RFZPGFLSSA-N -1 1 286.748 1.302 20 0 CDADMM c1ccc(CSc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001609617365 1165013266 /nfs/dbraw/zinc/01/32/66/1165013266.db2.gz MPFUTAVJMCCDHB-UHFFFAOYSA-N -1 1 270.321 1.949 20 0 CDADMM c1ccc(CSc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001609617365 1165013273 /nfs/dbraw/zinc/01/32/73/1165013273.db2.gz MPFUTAVJMCCDHB-UHFFFAOYSA-N -1 1 270.321 1.949 20 0 CDADMM O=C([O-])[C@@H](O)C1CCN(Cc2cnc(C3CC3)s2)CC1 ZINC001610723223 1165416078 /nfs/dbraw/zinc/41/60/78/1165416078.db2.gz HZPAZKFAXYCNDE-LBPRGKRZSA-N -1 1 296.392 1.678 20 0 CDADMM O=C([O-])[C@]1(NCc2cc(F)ccc2Cl)CCOC1 ZINC001610729134 1165419290 /nfs/dbraw/zinc/41/92/90/1165419290.db2.gz MWAUVBOVOJHOLO-LBPRGKRZSA-N -1 1 273.691 1.812 20 0 CDADMM O=C([O-])[C@H]1CSCCN(Cc2cnc(C3CC3)nc2)C1 ZINC001610748099 1165426583 /nfs/dbraw/zinc/42/65/83/1165426583.db2.gz BUYAJGCEAZXSLA-GFCCVEGCSA-N -1 1 293.392 1.604 20 0 CDADMM O=C([O-])Cc1ccccc1CNC(=O)c1[nH]nc2c1CCC2 ZINC001610797524 1165445233 /nfs/dbraw/zinc/44/52/33/1165445233.db2.gz QFFONNBXSOKJLS-UHFFFAOYSA-N -1 1 299.330 1.456 20 0 CDADMM O=C([O-])c1cccc(-c2noc([C@@H]3CNCCO3)n2)c1 ZINC001610844224 1165459804 /nfs/dbraw/zinc/45/98/04/1165459804.db2.gz RJULYSCUMXWKKT-JTQLQIEISA-N -1 1 275.264 1.096 20 0 CDADMM CCC(CC)(NC(=O)[C@H](F)C(C)C)c1nn[n-]n1 ZINC001623441794 1165771193 /nfs/dbraw/zinc/77/11/93/1165771193.db2.gz TXFNGABDBPIOAJ-MRVPVSSYSA-N -1 1 257.313 1.325 20 0 CDADMM CCC(CC)(NC(=O)CCC1CC1)c1nn[n-]n1 ZINC001623440895 1165771471 /nfs/dbraw/zinc/77/14/71/1165771471.db2.gz GAOLBMUGNCZWRF-UHFFFAOYSA-N -1 1 251.334 1.521 20 0 CDADMM O=C(NCc1cc(F)ccc1F)c1ccc([O-])cn1 ZINC001627562474 1166004413 /nfs/dbraw/zinc/00/44/13/1166004413.db2.gz XZUVCLSBVTVUNX-UHFFFAOYSA-N -1 1 264.231 1.995 20 0 CDADMM O=C(Nc1ccc(-n2ccnn2)cc1)c1ccc([O-])cn1 ZINC001627630422 1166008341 /nfs/dbraw/zinc/00/83/41/1166008341.db2.gz ICVIDVAJRKJXGA-UHFFFAOYSA-N -1 1 281.275 1.620 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2ccc3c(c2)oc(=O)n3C)c1[O-] ZINC001632282224 1166341353 /nfs/dbraw/zinc/34/13/53/1166341353.db2.gz ACWFOAVTCURGAA-UHFFFAOYSA-N -1 1 288.263 1.121 20 0 CDADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1nccn1C ZINC001634244712 1166483355 /nfs/dbraw/zinc/48/33/55/1166483355.db2.gz HNJILVSEWDAFND-MRVPVSSYSA-N -1 1 263.272 1.756 20 0 CDADMM C[C@@H]1Cc2cnccc2N1C(=O)c1ccc([O-])cn1 ZINC001635022838 1166554890 /nfs/dbraw/zinc/55/48/90/1166554890.db2.gz WKPXOTYEQQCUMF-SECBINFHSA-N -1 1 255.277 1.774 20 0 CDADMM O=C(Cc1ccc(-n2cccn2)cc1)Nc1c[n-][nH]c1=O ZINC001638735714 1166867155 /nfs/dbraw/zinc/86/71/55/1166867155.db2.gz VOCMUOMBJMTUQY-UHFFFAOYSA-N -1 1 283.291 1.482 20 0 CDADMM O=C(Nc1ccncc1[O-])c1ccc(-c2csnn2)cc1 ZINC001641255494 1167090259 /nfs/dbraw/zinc/09/02/59/1167090259.db2.gz ZWIPXSSLGLWKIO-UHFFFAOYSA-N -1 1 298.327 1.980 20 0 CDADMM O=C(NCCN1CCCCO1)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155269669 1167111273 /nfs/dbraw/zinc/11/12/73/1167111273.db2.gz NYUZTPSLNLLFDP-UHFFFAOYSA-N -1 1 290.323 1.026 20 0 CDADMM O=C(NCc1nc([O-])cc(=O)[nH]1)c1cccc2[nH]ccc21 ZINC001641493260 1167112395 /nfs/dbraw/zinc/11/23/95/1167112395.db2.gz JOFXFHFNLLZDTO-UHFFFAOYSA-N -1 1 284.275 1.299 20 0 CDADMM Cc1ncc(CNC(=O)c2cccc([O-])c2F)o1 ZINC001642430215 1167173339 /nfs/dbraw/zinc/17/33/39/1167173339.db2.gz IJGRNUPTEIBTNG-UHFFFAOYSA-N -1 1 250.229 1.758 20 0 CDADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H]1C(C)(C)C ZINC001646627723 1167992754 /nfs/dbraw/zinc/99/27/54/1167992754.db2.gz JFRHMZATVXYKSJ-ZETCQYMHSA-N -1 1 281.312 1.157 20 0 CDADMM O=C(OCc1nn[n-]n1)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC001646886998 1168226835 /nfs/dbraw/zinc/22/68/35/1168226835.db2.gz YUKVQONFUSABKB-QWHCGFSZSA-N -1 1 286.335 1.902 20 0 CDADMM CC(=O)N1CC(C(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC001647422889 1168675219 /nfs/dbraw/zinc/67/52/19/1168675219.db2.gz YLLURQHZFKTLDK-UHFFFAOYSA-N -1 1 270.235 1.087 20 0 CDADMM C[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)c1nn[n-]n1 ZINC001649999071 1169587626 /nfs/dbraw/zinc/58/76/26/1169587626.db2.gz MMHPZTCLOVLEAO-ZETCQYMHSA-N -1 1 297.771 1.997 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)Cc1cnccc1Cl ZINC001569836374 1170013772 /nfs/dbraw/zinc/01/37/72/1170013772.db2.gz SLHYBLMQBBENNR-UHFFFAOYSA-N -1 1 266.688 1.653 20 0 CDADMM CC(C)(C)c1nc(CN2C3CCC(CC3)[C@H]2C(=O)[O-])n[nH]1 ZINC001573475633 1170669475 /nfs/dbraw/zinc/66/94/75/1170669475.db2.gz USMQJAWCJQWHRD-CBINBANVSA-N -1 1 292.383 1.930 20 0 CDADMM COC(=O)c1ccc(CN2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)o1 ZINC001573940910 1170834325 /nfs/dbraw/zinc/83/43/25/1170834325.db2.gz VPTAWUOZJFAZAD-JFGNBEQYSA-N -1 1 279.292 1.219 20 0 CDADMM Cc1nc(C(=O)N2CC[C@H](c3[nH]ncc3C(=O)[O-])C2)co1 ZINC001574182594 1170908243 /nfs/dbraw/zinc/90/82/43/1170908243.db2.gz PGIRDGQFZBFGOE-QMMMGPOBSA-N -1 1 290.279 1.034 20 0 CDADMM O=C([O-])c1nc(NC(=O)c2ccc(Cl)c(O)c2)c[nH]1 ZINC001574338858 1170950586 /nfs/dbraw/zinc/95/05/86/1170950586.db2.gz VHZQHJHUJXRSLQ-UHFFFAOYSA-N -1 1 281.655 1.719 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1csc(NC2CC2)n1 ZINC001651044473 1171282164 /nfs/dbraw/zinc/28/21/64/1171282164.db2.gz KTEAPBIBXVJCGC-UHFFFAOYSA-N -1 1 265.298 1.398 20 0 CDADMM Cc1nnn(NC(=O)c2cc(F)ccc2[O-])c1C ZINC001651164700 1171296095 /nfs/dbraw/zinc/29/60/95/1171296095.db2.gz LLFDSDCGFZKHRX-UHFFFAOYSA-N -1 1 250.233 1.124 20 0 CDADMM COc1nscc1NCc1nc(-c2nnn[n-]2)cs1 ZINC001580152774 1172362664 /nfs/dbraw/zinc/36/26/64/1172362664.db2.gz OLZFTWVQKCVYAD-UHFFFAOYSA-N -1 1 295.353 1.400 20 0 CDADMM COc1nscc1NCc1nc(-c2nn[n-]n2)cs1 ZINC001580152774 1172362671 /nfs/dbraw/zinc/36/26/71/1172362671.db2.gz OLZFTWVQKCVYAD-UHFFFAOYSA-N -1 1 295.353 1.400 20 0 CDADMM Nc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000019966524 1172590023 /nfs/dbraw/zinc/59/00/23/1172590023.db2.gz GEKZYJPFITUNGJ-UHFFFAOYSA-N -1 1 292.316 1.798 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1C[C@H]1c1ccco1 ZINC001581727105 1172619877 /nfs/dbraw/zinc/61/98/77/1172619877.db2.gz IYFUIGJZVZVGDG-NXEZZACHSA-N -1 1 299.290 1.647 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1C[C@H]1c1ccco1 ZINC001581727105 1172619881 /nfs/dbraw/zinc/61/98/81/1172619881.db2.gz IYFUIGJZVZVGDG-NXEZZACHSA-N -1 1 299.290 1.647 20 0 CDADMM O=C([O-])[C@H](CO)NCc1c(Cl)cccc1Cl ZINC000079166195 1172732241 /nfs/dbraw/zinc/73/22/41/1172732241.db2.gz URIBBWRGAJYCAE-VIFPVBQESA-N -1 1 264.108 1.529 20 0 CDADMM Cc1ccc(C(=O)Nc2nnn[n-]2)c2ccccc12 ZINC001586746600 1172958367 /nfs/dbraw/zinc/95/83/67/1172958367.db2.gz KTRXXFIWQUDRLD-UHFFFAOYSA-N -1 1 253.265 1.914 20 0 CDADMM Cc1ccc(C(=O)Nc2nn[n-]n2)c2ccccc12 ZINC001586746600 1172958374 /nfs/dbraw/zinc/95/83/74/1172958374.db2.gz KTRXXFIWQUDRLD-UHFFFAOYSA-N -1 1 253.265 1.914 20 0 CDADMM CC(=O)[C@@H](OC(=O)c1sccc1-c1nn[n-]n1)C(C)C ZINC001588784826 1173106624 /nfs/dbraw/zinc/10/66/24/1173106624.db2.gz GZCCNXFKKOVWAO-VIFPVBQESA-N -1 1 294.336 1.699 20 0 CDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)CCCF)n1 ZINC001589250187 1173131897 /nfs/dbraw/zinc/13/18/97/1173131897.db2.gz FUHFJBXQLPULGL-UHFFFAOYSA-N -1 1 295.322 1.506 20 0 CDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)CCCF)n1 ZINC001589250187 1173131900 /nfs/dbraw/zinc/13/19/00/1173131900.db2.gz FUHFJBXQLPULGL-UHFFFAOYSA-N -1 1 295.322 1.506 20 0 CDADMM CC(C)(CNc1ccnc(-c2nnn[n-]2)c1)CC(F)F ZINC001589292508 1173133782 /nfs/dbraw/zinc/13/37/82/1173133782.db2.gz DUEZNACEPBVATE-UHFFFAOYSA-N -1 1 282.298 1.777 20 0 CDADMM CC(C)(CNc1ccnc(-c2nn[n-]n2)c1)CC(F)F ZINC001589292508 1173133787 /nfs/dbraw/zinc/13/37/87/1173133787.db2.gz DUEZNACEPBVATE-UHFFFAOYSA-N -1 1 282.298 1.777 20 0 CDADMM CC(C)CSCCCOc1cnc(-c2nn[n-]n2)nc1 ZINC001589653297 1173166012 /nfs/dbraw/zinc/16/60/12/1173166012.db2.gz FLIHXYXWVRHDSX-UHFFFAOYSA-N -1 1 294.384 1.815 20 0 CDADMM CC(C)[C@@H]1C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589763454 1173175253 /nfs/dbraw/zinc/17/52/53/1173175253.db2.gz NNOKBDKLALPNTM-QWRGUYRKSA-N -1 1 286.339 1.284 20 0 CDADMM CC(C)[C@@H]1C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589763454 1173175255 /nfs/dbraw/zinc/17/52/55/1173175255.db2.gz NNOKBDKLALPNTM-QWRGUYRKSA-N -1 1 286.339 1.284 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C1(C)CC1 ZINC001589944518 1173207113 /nfs/dbraw/zinc/20/71/13/1173207113.db2.gz MAEFGZNEPDKSGR-SSDOTTSWSA-N -1 1 277.353 1.847 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C1(C)CC1 ZINC001589944518 1173207116 /nfs/dbraw/zinc/20/71/16/1173207116.db2.gz MAEFGZNEPDKSGR-SSDOTTSWSA-N -1 1 277.353 1.847 20 0 CDADMM C[C@H](NC(=O)c1ccsc1-c1nnn[n-]1)[C@H]1CCOC1 ZINC001589948427 1173208335 /nfs/dbraw/zinc/20/83/35/1173208335.db2.gz BSSPOVNCGXVLBP-YUMQZZPRSA-N -1 1 293.352 1.083 20 0 CDADMM C[C@H](NC(=O)c1ccsc1-c1nn[n-]n1)[C@H]1CCOC1 ZINC001589948427 1173208338 /nfs/dbraw/zinc/20/83/38/1173208338.db2.gz BSSPOVNCGXVLBP-YUMQZZPRSA-N -1 1 293.352 1.083 20 0 CDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)o1)C(F)F ZINC001590009720 1173233178 /nfs/dbraw/zinc/23/31/78/1173233178.db2.gz JAOYDZLYLFTNNT-BYPYZUCNSA-N -1 1 258.184 1.270 20 0 CDADMM C[C@@H](c1cccnc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001590052340 1173240899 /nfs/dbraw/zinc/24/08/99/1173240899.db2.gz YBUFHYVGIUVSFY-VIFPVBQESA-N -1 1 282.311 1.249 20 0 CDADMM C[C@@H](c1cccnc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001590052340 1173240903 /nfs/dbraw/zinc/24/09/03/1173240903.db2.gz YBUFHYVGIUVSFY-VIFPVBQESA-N -1 1 282.311 1.249 20 0 CDADMM C[C@]1(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CCCOC1 ZINC001590071003 1173242328 /nfs/dbraw/zinc/24/23/28/1173242328.db2.gz PVRKVKSLLKWDIW-ZDUSSCGKSA-N -1 1 288.311 1.017 20 0 CDADMM C[C@]1(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CCCOC1 ZINC001590071003 1173242335 /nfs/dbraw/zinc/24/23/35/1173242335.db2.gz PVRKVKSLLKWDIW-ZDUSSCGKSA-N -1 1 288.311 1.017 20 0 CDADMM CC1(C(=O)COC(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC001590056584 1173243089 /nfs/dbraw/zinc/24/30/89/1173243089.db2.gz MPIBHDDIYLGARU-UHFFFAOYSA-N -1 1 292.320 1.454 20 0 CDADMM CC1(C)C(NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC001590077737 1173246292 /nfs/dbraw/zinc/24/62/92/1173246292.db2.gz YWRQJZFXHLVZHR-UHFFFAOYSA-N -1 1 286.339 1.426 20 0 CDADMM CC1(C)C(NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC001590077737 1173246299 /nfs/dbraw/zinc/24/62/99/1173246299.db2.gz YWRQJZFXHLVZHR-UHFFFAOYSA-N -1 1 286.339 1.426 20 0 CDADMM CC1(C)CC(C(=O)Nc2ncc(-c3nnn[n-]3)s2)C1 ZINC001590078611 1173248770 /nfs/dbraw/zinc/24/87/70/1173248770.db2.gz QFZGOJIDKKQLDU-UHFFFAOYSA-N -1 1 278.341 1.698 20 0 CDADMM CC1(C)CC(C(=O)Nc2ncc(-c3nn[n-]n3)s2)C1 ZINC001590078611 1173248774 /nfs/dbraw/zinc/24/87/74/1173248774.db2.gz QFZGOJIDKKQLDU-UHFFFAOYSA-N -1 1 278.341 1.698 20 0 CDADMM CC1(C)CCC[C@H](Cn2cc(-c3nn[n-]n3)ccc2=O)O1 ZINC001590094817 1173254294 /nfs/dbraw/zinc/25/42/94/1173254294.db2.gz UCFHDAQYCRRBJD-LLVKDONJSA-N -1 1 289.339 1.376 20 0 CDADMM CC1(C)CCC[C@@H]1C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001590094893 1173257386 /nfs/dbraw/zinc/25/73/86/1173257386.db2.gz GWMSVKJEIREEBV-SSDOTTSWSA-N -1 1 275.316 1.355 20 0 CDADMM C[C@]1(c2ccccc2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590152621 1173276064 /nfs/dbraw/zinc/27/60/64/1173276064.db2.gz ZADPPEDNMMVJOL-IAQYHMDHSA-N -1 1 293.334 1.221 20 0 CDADMM C[C@H]1CC(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)C[C@H](C)C1 ZINC001590187144 1173284600 /nfs/dbraw/zinc/28/46/00/1173284600.db2.gz IVWKNZGHDHXYQF-HTQZYQBOSA-N -1 1 289.343 1.601 20 0 CDADMM C[C@H]1CCC[C@H]1CC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590248502 1173317974 /nfs/dbraw/zinc/31/79/74/1173317974.db2.gz OOHAXXQCDBMJPH-YUMQZZPRSA-N -1 1 275.316 1.355 20 0 CDADMM C[C@H]1CCC[C@H]1CC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590248502 1173317979 /nfs/dbraw/zinc/31/79/79/1173317979.db2.gz OOHAXXQCDBMJPH-YUMQZZPRSA-N -1 1 275.316 1.355 20 0 CDADMM C[C@H]1CCC[C@H](NC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590244748 1173318480 /nfs/dbraw/zinc/31/84/80/1173318480.db2.gz QLYWFOGJNDGFKE-ONGXEEELSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@H]1CCC[C@H](NC(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590244748 1173318485 /nfs/dbraw/zinc/31/84/85/1173318485.db2.gz QLYWFOGJNDGFKE-ONGXEEELSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@H]1CCN(c2cc(-c3nnn[n-]3)ncn2)CC1(C)C ZINC001590276316 1173337640 /nfs/dbraw/zinc/33/76/40/1173337640.db2.gz LZPTYNCOEAVBBY-VIFPVBQESA-N -1 1 273.344 1.529 20 0 CDADMM C[C@H]1CCN(c2cc(-c3nn[n-]n3)ncn2)CC1(C)C ZINC001590276316 1173337649 /nfs/dbraw/zinc/33/76/49/1173337649.db2.gz LZPTYNCOEAVBBY-VIFPVBQESA-N -1 1 273.344 1.529 20 0 CDADMM CCC(C)(C)N(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590378292 1173373799 /nfs/dbraw/zinc/37/37/99/1173373799.db2.gz XNZBMPWGTFITRP-UHFFFAOYSA-N -1 1 263.301 1.720 20 0 CDADMM CCC(C)(C)N(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590378292 1173373809 /nfs/dbraw/zinc/37/38/09/1173373809.db2.gz XNZBMPWGTFITRP-UHFFFAOYSA-N -1 1 263.301 1.720 20 0 CDADMM C[C@@H]1OCC[C@@H]1COc1cccc(F)c1-c1nnn[n-]1 ZINC001590340361 1173366853 /nfs/dbraw/zinc/36/68/53/1173366853.db2.gz YYJMIGVGSWCUFL-DTWKUNHWSA-N -1 1 278.287 1.810 20 0 CDADMM C[C@@H]1OCC[C@@H]1COc1cccc(F)c1-c1nn[n-]n1 ZINC001590340361 1173366861 /nfs/dbraw/zinc/36/68/61/1173366861.db2.gz YYJMIGVGSWCUFL-DTWKUNHWSA-N -1 1 278.287 1.810 20 0 CDADMM CCC(C)(C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001590372874 1173380758 /nfs/dbraw/zinc/38/07/58/1173380758.db2.gz GEYVEOLNVSKSOQ-MRVPVSSYSA-N -1 1 261.333 1.893 20 0 CDADMM CCC(C)(C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001590372874 1173380764 /nfs/dbraw/zinc/38/07/64/1173380764.db2.gz GEYVEOLNVSKSOQ-MRVPVSSYSA-N -1 1 261.333 1.893 20 0 CDADMM CC[C@@](C)(OC)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590385892 1173386958 /nfs/dbraw/zinc/38/69/58/1173386958.db2.gz UBWSWVWMPDSPDL-GFCCVEGCSA-N -1 1 295.368 1.360 20 0 CDADMM CC[C@H](C)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2 ZINC001590410941 1173396696 /nfs/dbraw/zinc/39/66/96/1173396696.db2.gz XLRYKSMCWWWCBD-JTQLQIEISA-N -1 1 287.367 1.953 20 0 CDADMM CC[C@H](COC)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590449453 1173414115 /nfs/dbraw/zinc/41/41/15/1173414115.db2.gz SXQNVUGOCXIJED-SECBINFHSA-N -1 1 289.343 1.371 20 0 CDADMM CC[C@H](COC)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590449453 1173414120 /nfs/dbraw/zinc/41/41/20/1173414120.db2.gz SXQNVUGOCXIJED-SECBINFHSA-N -1 1 289.343 1.371 20 0 CDADMM CC[C@@H](Nc1cccnc1-c1nnn[n-]1)[C@H]1CCCOC1 ZINC001590473243 1173425321 /nfs/dbraw/zinc/42/53/21/1173425321.db2.gz MRCMPGYONVYEIK-WDEREUQCSA-N -1 1 288.355 1.879 20 0 CDADMM CC[C@@H](Nc1cccnc1-c1nn[n-]n1)[C@H]1CCCOC1 ZINC001590473243 1173425327 /nfs/dbraw/zinc/42/53/27/1173425327.db2.gz MRCMPGYONVYEIK-WDEREUQCSA-N -1 1 288.355 1.879 20 0 CDADMM CCC1(CC)CN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590492752 1173434563 /nfs/dbraw/zinc/43/45/63/1173434563.db2.gz HZOUCBVWISKHJC-UHFFFAOYSA-N -1 1 286.339 1.524 20 0 CDADMM CCC1(CC)CN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590492752 1173434569 /nfs/dbraw/zinc/43/45/69/1173434569.db2.gz HZOUCBVWISKHJC-UHFFFAOYSA-N -1 1 286.339 1.524 20 0 CDADMM CC[C@]1(O)CCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590500912 1173436421 /nfs/dbraw/zinc/43/64/21/1173436421.db2.gz RWAAYGSLUYKJQM-ZDUSSCGKSA-N -1 1 274.328 1.003 20 0 CDADMM CC[C@]1(O)CCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590500912 1173436428 /nfs/dbraw/zinc/43/64/28/1173436428.db2.gz RWAAYGSLUYKJQM-ZDUSSCGKSA-N -1 1 274.328 1.003 20 0 CDADMM CCC[C@@H](CCO)CNc1ccc(C)nc1-c1nnn[n-]1 ZINC001590556780 1173460627 /nfs/dbraw/zinc/46/06/27/1173460627.db2.gz XUILHMQKZHPIKR-NSHDSACASA-N -1 1 290.371 1.781 20 0 CDADMM CCC[C@@H](CCO)CNc1ccc(C)nc1-c1nn[n-]n1 ZINC001590556780 1173460630 /nfs/dbraw/zinc/46/06/30/1173460630.db2.gz XUILHMQKZHPIKR-NSHDSACASA-N -1 1 290.371 1.781 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC=C(F)C2)n1 ZINC001590906527 1173539187 /nfs/dbraw/zinc/53/91/87/1173539187.db2.gz ORILNVXSQQWINV-UHFFFAOYSA-N -1 1 275.291 1.283 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC=C(F)C2)n1 ZINC001590906527 1173539191 /nfs/dbraw/zinc/53/91/91/1173539191.db2.gz ORILNVXSQQWINV-UHFFFAOYSA-N -1 1 275.291 1.283 20 0 CDADMM CCc1nc(N[C@H](C)[C@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001590915247 1173540400 /nfs/dbraw/zinc/54/04/00/1173540400.db2.gz RPRPXXMEYKXQCU-BDAKNGLRSA-N -1 1 289.343 1.056 20 0 CDADMM CCc1nc(N[C@H](C)[C@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001590915247 1173540406 /nfs/dbraw/zinc/54/04/06/1173540406.db2.gz RPRPXXMEYKXQCU-BDAKNGLRSA-N -1 1 289.343 1.056 20 0 CDADMM COC(C)(C)CCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591317466 1173605523 /nfs/dbraw/zinc/60/55/23/1173605523.db2.gz YZHYRFRHVYNYBZ-UHFFFAOYSA-N -1 1 295.368 1.473 20 0 CDADMM CO[C@H](C)[C@H](C)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001591325159 1173611775 /nfs/dbraw/zinc/61/17/75/1173611775.db2.gz WXKMLDGSFSTCPZ-NKWVEPMBSA-N -1 1 281.341 1.081 20 0 CDADMM CO[C@H](C)[C@H](C)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001591325159 1173611778 /nfs/dbraw/zinc/61/17/78/1173611778.db2.gz WXKMLDGSFSTCPZ-NKWVEPMBSA-N -1 1 281.341 1.081 20 0 CDADMM CO[C@@H]1CCC[C@H](OC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001591354022 1173625833 /nfs/dbraw/zinc/62/58/33/1173625833.db2.gz HSXOFWUYBSITTA-ZJUUUORDSA-N -1 1 292.295 1.574 20 0 CDADMM CO[C@@H]1CCC[C@H](OC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001591354022 1173625834 /nfs/dbraw/zinc/62/58/34/1173625834.db2.gz HSXOFWUYBSITTA-ZJUUUORDSA-N -1 1 292.295 1.574 20 0 CDADMM COc1cccc(COc2cnc(-c3nn[n-]n3)nc2)c1C ZINC001591639117 1173676538 /nfs/dbraw/zinc/67/65/38/1173676538.db2.gz BQBMXBZXPXNIBA-UHFFFAOYSA-N -1 1 298.306 1.553 20 0 CDADMM CSC(C)(C)CNc1ccnc(-c2nnn[n-]2)c1 ZINC001591684823 1173679227 /nfs/dbraw/zinc/67/92/27/1173679227.db2.gz DYVFWXZANMGWQT-UHFFFAOYSA-N -1 1 264.358 1.237 20 0 CDADMM CSC(C)(C)CNc1ccnc(-c2nn[n-]n2)c1 ZINC001591684823 1173679232 /nfs/dbraw/zinc/67/92/32/1173679232.db2.gz DYVFWXZANMGWQT-UHFFFAOYSA-N -1 1 264.358 1.237 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H](C)C(C)C)n1 ZINC001591883122 1173734655 /nfs/dbraw/zinc/73/46/55/1173734655.db2.gz UBROIUUHCWWJFH-SECBINFHSA-N -1 1 261.333 1.446 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H](C)C(C)C)n1 ZINC001591883122 1173734661 /nfs/dbraw/zinc/73/46/61/1173734661.db2.gz UBROIUUHCWWJFH-SECBINFHSA-N -1 1 261.333 1.446 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C)C[C@H](CO)C2)c1 ZINC001591883711 1173736985 /nfs/dbraw/zinc/73/69/85/1173736985.db2.gz BYAUQIVGXKMLOG-QWRGUYRKSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C)C[C@H](CO)C2)c1 ZINC001591883711 1173736992 /nfs/dbraw/zinc/73/69/92/1173736992.db2.gz BYAUQIVGXKMLOG-QWRGUYRKSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC(CC(F)(F)F)C2)n1 ZINC001591884392 1173739506 /nfs/dbraw/zinc/73/95/06/1173739506.db2.gz YIHMGEIFSWTMOI-UHFFFAOYSA-N -1 1 299.260 1.354 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC(CC(F)(F)F)C2)n1 ZINC001591884392 1173739509 /nfs/dbraw/zinc/73/95/09/1173739509.db2.gz YIHMGEIFSWTMOI-UHFFFAOYSA-N -1 1 299.260 1.354 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](C3CC3)C2)n1 ZINC001591889601 1173739531 /nfs/dbraw/zinc/73/95/31/1173739531.db2.gz VAEAUQZLVYLDMO-LLVKDONJSA-N -1 1 285.355 1.592 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](C3CC3)C2)n1 ZINC001591889601 1173739536 /nfs/dbraw/zinc/73/95/36/1173739536.db2.gz VAEAUQZLVYLDMO-LLVKDONJSA-N -1 1 285.355 1.592 20 0 CDADMM Cc1cc(N2CCC[C@H](F)C2)cc(-c2nnn[n-]2)n1 ZINC001592005308 1173770896 /nfs/dbraw/zinc/77/08/96/1173770896.db2.gz OAVDPDRIRMSGES-VIFPVBQESA-N -1 1 262.292 1.508 20 0 CDADMM Cc1cc(N2CCC[C@H](F)C2)cc(-c2nn[n-]n2)n1 ZINC001592005308 1173770898 /nfs/dbraw/zinc/77/08/98/1173770898.db2.gz OAVDPDRIRMSGES-VIFPVBQESA-N -1 1 262.292 1.508 20 0 CDADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cnc1C ZINC001592029914 1173775920 /nfs/dbraw/zinc/77/59/20/1173775920.db2.gz OYRBMOUZCREYNP-UHFFFAOYSA-N -1 1 295.306 1.526 20 0 CDADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cnc1C ZINC001592029914 1173775925 /nfs/dbraw/zinc/77/59/25/1173775925.db2.gz OYRBMOUZCREYNP-UHFFFAOYSA-N -1 1 295.306 1.526 20 0 CDADMM Cc1cc(N[C@@H](C)C2CCC2)cc(-c2nnn[n-]2)n1 ZINC001592032586 1173777250 /nfs/dbraw/zinc/77/72/50/1173777250.db2.gz AVYZXGOHQDVVHN-VIFPVBQESA-N -1 1 258.329 1.593 20 0 CDADMM Cc1cc(N[C@@H](C)C2CCC2)cc(-c2nn[n-]n2)n1 ZINC001592032586 1173777255 /nfs/dbraw/zinc/77/72/55/1173777255.db2.gz AVYZXGOHQDVVHN-VIFPVBQESA-N -1 1 258.329 1.593 20 0 CDADMM Cc1cc(NC[C@H]2CC[C@H](O)C2)nc(-c2nnn[n-]2)c1 ZINC001592044955 1173783585 /nfs/dbraw/zinc/78/35/85/1173783585.db2.gz UMXKLGJOBHSCOF-UWVGGRQHSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cc(NC[C@H]2CC[C@H](O)C2)nc(-c2nn[n-]n2)c1 ZINC001592044955 1173783588 /nfs/dbraw/zinc/78/35/88/1173783588.db2.gz UMXKLGJOBHSCOF-UWVGGRQHSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC(CCO)CC1 ZINC001592109898 1173803599 /nfs/dbraw/zinc/80/35/99/1173803599.db2.gz HEHQMHQSBSAJQX-UHFFFAOYSA-N -1 1 288.355 1.169 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(C)c(-c2nn[nH]n2)c1 ZINC001592129730 1173807627 /nfs/dbraw/zinc/80/76/27/1173807627.db2.gz YDGNKVYHSGVFGD-UHFFFAOYSA-N -1 1 299.294 1.165 20 0 CDADMM Cc1ccc(CCNc2nc(C)cc(-c3nnn[n-]3)n2)cn1 ZINC001592150981 1173813019 /nfs/dbraw/zinc/81/30/19/1173813019.db2.gz AJSNKDQXJCELGA-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1ccc(CCNc2nc(C)cc(-c3nn[n-]n3)n2)cn1 ZINC001592150981 1173813021 /nfs/dbraw/zinc/81/30/21/1173813021.db2.gz AJSNKDQXJCELGA-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1ccc(NC2COC(C)(C)OC2)nc1-c1nnn[n-]1 ZINC001592183472 1173829674 /nfs/dbraw/zinc/82/96/74/1173829674.db2.gz FIBHNZQVOWDVKG-UHFFFAOYSA-N -1 1 290.327 1.134 20 0 CDADMM Cc1ccc(NC2COC(C)(C)OC2)nc1-c1nn[n-]n1 ZINC001592183472 1173829680 /nfs/dbraw/zinc/82/96/80/1173829680.db2.gz FIBHNZQVOWDVKG-UHFFFAOYSA-N -1 1 290.327 1.134 20 0 CDADMM Cc1ccc2c(c1)CCN(c1cc(-c3nnn[n-]3)ncn1)C2 ZINC001592203673 1173833835 /nfs/dbraw/zinc/83/38/35/1173833835.db2.gz KVMBIUVAEVNFTA-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM Cc1ccc2c(c1)CCN(c1cc(-c3nn[n-]n3)ncn1)C2 ZINC001592203673 1173833842 /nfs/dbraw/zinc/83/38/42/1173833842.db2.gz KVMBIUVAEVNFTA-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cccc(C)n1 ZINC001592235707 1173836016 /nfs/dbraw/zinc/83/60/16/1173836016.db2.gz SIWJQAUCRYALGD-UHFFFAOYSA-N -1 1 284.279 1.724 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cccc(C)n1 ZINC001592235707 1173836020 /nfs/dbraw/zinc/83/60/20/1173836020.db2.gz SIWJQAUCRYALGD-UHFFFAOYSA-N -1 1 284.279 1.724 20 0 CDADMM Cc1cccc(F)c1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592232303 1173836701 /nfs/dbraw/zinc/83/67/01/1173836701.db2.gz VONJXCCYXBUJDC-UHFFFAOYSA-N -1 1 287.258 1.290 20 0 CDADMM Cc1cccc(F)c1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592232303 1173836704 /nfs/dbraw/zinc/83/67/04/1173836704.db2.gz VONJXCCYXBUJDC-UHFFFAOYSA-N -1 1 287.258 1.290 20 0 CDADMM Cc1ccccc1[C@@H]1C[C@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001592261029 1173838966 /nfs/dbraw/zinc/83/89/66/1173838966.db2.gz UFJYXRATNWHEFB-UONOGXRCSA-N -1 1 292.346 1.960 20 0 CDADMM Cc1ccccc1[C@@H]1C[C@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001592261029 1173838969 /nfs/dbraw/zinc/83/89/69/1173838969.db2.gz UFJYXRATNWHEFB-UONOGXRCSA-N -1 1 292.346 1.960 20 0 CDADMM Cc1ccncc1CNc1cccc(-c2nnn[n-]2)n1 ZINC001592276620 1173842838 /nfs/dbraw/zinc/84/28/38/1173842838.db2.gz IVCNHFVNOOPDAJ-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1ccncc1CNc1cccc(-c2nn[n-]n2)n1 ZINC001592276620 1173842847 /nfs/dbraw/zinc/84/28/47/1173842847.db2.gz IVCNHFVNOOPDAJ-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1n[nH]c(C)c1CNc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001592325292 1173853799 /nfs/dbraw/zinc/85/37/99/1173853799.db2.gz IUDYJAORMRRPFH-UHFFFAOYSA-N -1 1 299.342 1.419 20 0 CDADMM Cc1n[nH]c(C)c1CNc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592325292 1173853805 /nfs/dbraw/zinc/85/38/05/1173853805.db2.gz IUDYJAORMRRPFH-UHFFFAOYSA-N -1 1 299.342 1.419 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@]2(C)CC=CCC2)c1-c1nn[n-]n1 ZINC001592328035 1173854295 /nfs/dbraw/zinc/85/42/95/1173854295.db2.gz PDCNLXYMXQVPLU-CYBMUJFWSA-N -1 1 287.327 1.583 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@@H]2CC3(CCC3)CO2)c1C ZINC001592340690 1173862239 /nfs/dbraw/zinc/86/22/39/1173862239.db2.gz ZVHXRYXWHYIUNL-NSHDSACASA-N -1 1 288.355 1.639 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@@H]2CC3(CCC3)CO2)c1C ZINC001592340690 1173862244 /nfs/dbraw/zinc/86/22/44/1173862244.db2.gz ZVHXRYXWHYIUNL-NSHDSACASA-N -1 1 288.355 1.639 20 0 CDADMM Cc1nc(N[C@@H](C)Cc2ccncc2)cc(-c2nnn[n-]2)n1 ZINC001592379865 1173873500 /nfs/dbraw/zinc/87/35/00/1173873500.db2.gz BXMWZKRMAHDWTE-VIFPVBQESA-N -1 1 296.338 1.403 20 0 CDADMM Cc1nc(N[C@@H](C)Cc2ccncc2)cc(-c2nn[n-]n2)n1 ZINC001592379865 1173873505 /nfs/dbraw/zinc/87/35/05/1173873505.db2.gz BXMWZKRMAHDWTE-VIFPVBQESA-N -1 1 296.338 1.403 20 0 CDADMM Cc1nc(N[C@@H]2CCCc3c[nH]nc32)cc(-c2nn[n-]n2)n1 ZINC001592384065 1173876479 /nfs/dbraw/zinc/87/64/79/1173876479.db2.gz LXBKCHYSACIZHH-SECBINFHSA-N -1 1 297.326 1.178 20 0 CDADMM Cc1nc(NC[C@@H]2C(C)(C)C2(F)F)cc(-c2nnn[n-]2)n1 ZINC001592388067 1173878863 /nfs/dbraw/zinc/87/88/63/1173878863.db2.gz OFPQSRLRTKWUFI-MRVPVSSYSA-N -1 1 295.297 1.668 20 0 CDADMM Cc1nc(NC[C@@H]2C(C)(C)C2(F)F)cc(-c2nn[n-]n2)n1 ZINC001592388067 1173878868 /nfs/dbraw/zinc/87/88/68/1173878868.db2.gz OFPQSRLRTKWUFI-MRVPVSSYSA-N -1 1 295.297 1.668 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1nc(C)ncc1C ZINC001592408021 1173880684 /nfs/dbraw/zinc/88/06/84/1173880684.db2.gz FYWKFVNSRVDHSD-UHFFFAOYSA-N -1 1 299.294 1.427 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1nc(C)ncc1C ZINC001592408021 1173880689 /nfs/dbraw/zinc/88/06/89/1173880689.db2.gz FYWKFVNSRVDHSD-UHFFFAOYSA-N -1 1 299.294 1.427 20 0 CDADMM Cc1cscc1CNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001592394388 1173881253 /nfs/dbraw/zinc/88/12/53/1173881253.db2.gz SFPWRDUPTKGCTF-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1cscc1CNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001592394388 1173881261 /nfs/dbraw/zinc/88/12/61/1173881261.db2.gz SFPWRDUPTKGCTF-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1ncc(COc2cccc(F)c2-c2nnn[n-]2)o1 ZINC001592410603 1173881841 /nfs/dbraw/zinc/88/18/41/1173881841.db2.gz WDKLTIMLARCASD-UHFFFAOYSA-N -1 1 275.243 1.881 20 0 CDADMM Cc1ncc(COc2cccc(F)c2-c2nn[n-]n2)o1 ZINC001592410603 1173881844 /nfs/dbraw/zinc/88/18/44/1173881844.db2.gz WDKLTIMLARCASD-UHFFFAOYSA-N -1 1 275.243 1.881 20 0 CDADMM Cc1nccnc1CCNc1ccnc(-c2nnn[n-]2)c1 ZINC001592420218 1173884110 /nfs/dbraw/zinc/88/41/10/1173884110.db2.gz USNDAFXOUSFGBS-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1nccnc1CCNc1ccnc(-c2nn[n-]n2)c1 ZINC001592420218 1173884116 /nfs/dbraw/zinc/88/41/16/1173884116.db2.gz USNDAFXOUSFGBS-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1ncccc1NCc1nc(-c2nnn[n-]2)cs1 ZINC001592417372 1173884521 /nfs/dbraw/zinc/88/45/21/1173884521.db2.gz WXGORWJIXLNTGJ-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1ncccc1NCc1nc(-c2nn[n-]n2)cs1 ZINC001592417372 1173884524 /nfs/dbraw/zinc/88/45/24/1173884524.db2.gz WXGORWJIXLNTGJ-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)C(F)(F)F ZINC001592499835 1173905978 /nfs/dbraw/zinc/90/59/78/1173905978.db2.gz SCUIDFVKAJFAET-RXMQYKEDSA-N -1 1 289.217 1.449 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)C(F)(F)F ZINC001592499835 1173905985 /nfs/dbraw/zinc/90/59/85/1173905985.db2.gz SCUIDFVKAJFAET-RXMQYKEDSA-N -1 1 289.217 1.449 20 0 CDADMM O=C(CCCCCO)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592835829 1173996965 /nfs/dbraw/zinc/99/69/65/1173996965.db2.gz UGWDLEFLNVPUAH-UHFFFAOYSA-N -1 1 295.368 1.097 20 0 CDADMM O=C(CSCc1ccc(-c2nnn[n-]2)o1)NCC1CC1 ZINC001592903019 1174000071 /nfs/dbraw/zinc/00/00/71/1174000071.db2.gz AHTGWJDMDSJFEY-UHFFFAOYSA-N -1 1 293.352 1.219 20 0 CDADMM O=C(CSCc1ccc(-c2nn[n-]n2)o1)NCC1CC1 ZINC001592903019 1174000077 /nfs/dbraw/zinc/00/00/77/1174000077.db2.gz AHTGWJDMDSJFEY-UHFFFAOYSA-N -1 1 293.352 1.219 20 0 CDADMM O=C(NC1CCC2(CC2)CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001592973869 1174010257 /nfs/dbraw/zinc/01/02/57/1174010257.db2.gz JNJXUORIRKSRMK-UHFFFAOYSA-N -1 1 298.350 1.714 20 0 CDADMM O=C(NC1CCC2(CC2)CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001592973869 1174010262 /nfs/dbraw/zinc/01/02/62/1174010262.db2.gz JNJXUORIRKSRMK-UHFFFAOYSA-N -1 1 298.350 1.714 20 0 CDADMM O=C(NC/C=C\c1ccccc1)c1ccc(-c2nnn[n-]2)o1 ZINC001593055329 1174018741 /nfs/dbraw/zinc/01/87/41/1174018741.db2.gz LNNHCNWSMHKNAI-DAXSKMNVSA-N -1 1 295.302 1.903 20 0 CDADMM O=C(NC/C=C\c1ccccc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593055329 1174018750 /nfs/dbraw/zinc/01/87/50/1174018750.db2.gz LNNHCNWSMHKNAI-DAXSKMNVSA-N -1 1 295.302 1.903 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@H]1C=CCCC1 ZINC001593244204 1174040402 /nfs/dbraw/zinc/04/04/02/1174040402.db2.gz NUQCVYXBRIONNS-VIFPVBQESA-N -1 1 285.311 1.492 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@H]1C=CCCC1 ZINC001593244204 1174040408 /nfs/dbraw/zinc/04/04/08/1174040408.db2.gz NUQCVYXBRIONNS-VIFPVBQESA-N -1 1 285.311 1.492 20 0 CDADMM O=C(Nc1cccc(O)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001593249553 1174040923 /nfs/dbraw/zinc/04/09/23/1174040923.db2.gz ZKOLUYBKYUMHBW-UHFFFAOYSA-N -1 1 271.236 1.418 20 0 CDADMM O=C(O[C@@H]1CCCC[C@H]1F)c1ccc(-c2nnn[n-]2)nc1 ZINC001593306207 1174060291 /nfs/dbraw/zinc/06/02/91/1174060291.db2.gz PXAKCHRQAQGZMU-MWLCHTKSSA-N -1 1 291.286 1.699 20 0 CDADMM O=C(O[C@@H]1CCCC[C@H]1F)c1ccc(-c2nn[n-]n2)nc1 ZINC001593306207 1174060293 /nfs/dbraw/zinc/06/02/93/1174060293.db2.gz PXAKCHRQAQGZMU-MWLCHTKSSA-N -1 1 291.286 1.699 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@@H]1C[C@H]1C1CC1 ZINC001593301118 1174061140 /nfs/dbraw/zinc/06/11/40/1174061140.db2.gz BTWQDXVECRDJOO-WDEREUQCSA-N -1 1 285.307 1.351 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@@H]1C[C@H]1C1CC1 ZINC001593301118 1174061147 /nfs/dbraw/zinc/06/11/47/1174061147.db2.gz BTWQDXVECRDJOO-WDEREUQCSA-N -1 1 285.307 1.351 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC2CCC1CC2 ZINC001593338594 1174069376 /nfs/dbraw/zinc/06/93/76/1174069376.db2.gz FJKMDYPHTXHNGQ-UHFFFAOYSA-N -1 1 289.364 1.943 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC2CCC1CC2 ZINC001593338594 1174069382 /nfs/dbraw/zinc/06/93/82/1174069382.db2.gz FJKMDYPHTXHNGQ-UHFFFAOYSA-N -1 1 289.364 1.943 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1C2CCCC1CCC2 ZINC001593359168 1174070656 /nfs/dbraw/zinc/07/06/56/1174070656.db2.gz XFOSPGPOIAASKQ-UHFFFAOYSA-N -1 1 298.350 1.809 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1C2CCCC1CCC2 ZINC001593359168 1174070658 /nfs/dbraw/zinc/07/06/58/1174070658.db2.gz XFOSPGPOIAASKQ-UHFFFAOYSA-N -1 1 298.350 1.809 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@@H]1C1CC1 ZINC001593367104 1174070780 /nfs/dbraw/zinc/07/07/80/1174070780.db2.gz IFEIDCMISUWQPU-SECBINFHSA-N -1 1 259.269 1.084 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@@H]1C1CC1 ZINC001593367104 1174070788 /nfs/dbraw/zinc/07/07/88/1174070788.db2.gz IFEIDCMISUWQPU-SECBINFHSA-N -1 1 259.269 1.084 20 0 CDADMM [O-][n+]1ccccc1Oc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001593543644 1174111544 /nfs/dbraw/zinc/11/15/44/1174111544.db2.gz BEDXIDDGWWAFCB-UHFFFAOYSA-N -1 1 296.699 1.402 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC001593551820 1174124418 /nfs/dbraw/zinc/12/44/18/1174124418.db2.gz QPZCWSFOORWLIP-VGMNWLOBSA-N -1 1 257.301 1.257 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC001593551820 1174124422 /nfs/dbraw/zinc/12/44/22/1174124422.db2.gz QPZCWSFOORWLIP-VGMNWLOBSA-N -1 1 257.301 1.257 20 0 CDADMM c1cc2c(cccc2CNc2cncc(-c3nnn[n-]3)n2)[nH]1 ZINC001593556952 1174131460 /nfs/dbraw/zinc/13/14/60/1174131460.db2.gz FYJFIWQLLDQDJL-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1cc2c(cccc2CNc2cncc(-c3nn[n-]n3)n2)[nH]1 ZINC001593556952 1174131467 /nfs/dbraw/zinc/13/14/67/1174131467.db2.gz FYJFIWQLLDQDJL-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1cc(NC2CCCCCCC2)nc(-c2nn[n-]n2)n1 ZINC001593557943 1174134184 /nfs/dbraw/zinc/13/41/84/1174134184.db2.gz DHSMQSALSLCGRR-UHFFFAOYSA-N -1 1 273.344 1.603 20 0 CDADMM c1cc(NCCOC2CCCC2)cc(-c2nnn[n-]2)n1 ZINC001593560931 1174135813 /nfs/dbraw/zinc/13/58/13/1174135813.db2.gz NKYGQCMNXMIYAF-UHFFFAOYSA-N -1 1 274.328 1.633 20 0 CDADMM c1cc(NCCOC2CCCC2)cc(-c2nn[n-]n2)n1 ZINC001593560931 1174135815 /nfs/dbraw/zinc/13/58/15/1174135815.db2.gz NKYGQCMNXMIYAF-UHFFFAOYSA-N -1 1 274.328 1.633 20 0 CDADMM c1ccc2c(CNc3cnc(-c4nnn[n-]4)cn3)noc2c1 ZINC001593577908 1174146295 /nfs/dbraw/zinc/14/62/95/1174146295.db2.gz NLOMZDJBJXWSFA-UHFFFAOYSA-N -1 1 294.278 1.410 20 0 CDADMM c1ccc2c(CNc3cnc(-c4nn[n-]n4)cn3)noc2c1 ZINC001593577908 1174146301 /nfs/dbraw/zinc/14/63/01/1174146301.db2.gz NLOMZDJBJXWSFA-UHFFFAOYSA-N -1 1 294.278 1.410 20 0 CDADMM c1ccc2c(c1)CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001593580103 1174147078 /nfs/dbraw/zinc/14/70/78/1174147078.db2.gz JFUMOGQRJWFNJK-UHFFFAOYSA-N -1 1 293.334 1.262 20 0 CDADMM c1ccc2c(c1)CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001593580103 1174147085 /nfs/dbraw/zinc/14/70/85/1174147085.db2.gz JFUMOGQRJWFNJK-UHFFFAOYSA-N -1 1 293.334 1.262 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(SCCOCC2CC2)c1 ZINC001593585639 1174148022 /nfs/dbraw/zinc/14/80/22/1174148022.db2.gz YIXLEIUFKSDYSQ-UHFFFAOYSA-N -1 1 277.353 1.780 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(SCCOCC2CC2)c1 ZINC001593585639 1174148027 /nfs/dbraw/zinc/14/80/27/1174148027.db2.gz YIXLEIUFKSDYSQ-UHFFFAOYSA-N -1 1 277.353 1.780 20 0 CDADMM c1ccc2c(c1)CC[C@H]2Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593580923 1174148785 /nfs/dbraw/zinc/14/87/85/1174148785.db2.gz VQKAPEMFPRPSOV-CYBMUJFWSA-N -1 1 278.319 1.783 20 0 CDADMM c1ccc2c(c1)CC[C@H]2Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593580923 1174148790 /nfs/dbraw/zinc/14/87/90/1174148790.db2.gz VQKAPEMFPRPSOV-CYBMUJFWSA-N -1 1 278.319 1.783 20 0 CDADMM c1ccc2c(c1)OC[C@@H]2CNc1cnc(-c2nnn[n-]2)cn1 ZINC001593579917 1174148800 /nfs/dbraw/zinc/14/88/00/1174148800.db2.gz OUJZDRCSPOFIRD-VIFPVBQESA-N -1 1 295.306 1.245 20 0 CDADMM c1ccc2c(c1)OC[C@@H]2CNc1cnc(-c2nn[n-]n2)cn1 ZINC001593579917 1174148806 /nfs/dbraw/zinc/14/88/06/1174148806.db2.gz OUJZDRCSPOFIRD-VIFPVBQESA-N -1 1 295.306 1.245 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@]23C[C@H]2COC32CCC2)n1 ZINC001593584283 1174153060 /nfs/dbraw/zinc/15/30/60/1174153060.db2.gz KINKCLVGDHSXNY-TVQRCGJNSA-N -1 1 299.338 1.028 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@]23C[C@H]2COC32CCC2)n1 ZINC001593584283 1174153063 /nfs/dbraw/zinc/15/30/63/1174153063.db2.gz KINKCLVGDHSXNY-TVQRCGJNSA-N -1 1 299.338 1.028 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001593590301 1174157477 /nfs/dbraw/zinc/15/74/77/1174157477.db2.gz NONJZMMLWRLESN-DJLDLDEBSA-N -1 1 257.301 1.257 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001593590301 1174157482 /nfs/dbraw/zinc/15/74/82/1174157482.db2.gz NONJZMMLWRLESN-DJLDLDEBSA-N -1 1 257.301 1.257 20 0 CDADMM c1nc(N2CCCCCCCC2)cnc1-c1nnn[n-]1 ZINC001593590740 1174160653 /nfs/dbraw/zinc/16/06/53/1174160653.db2.gz DJDIRYXMGYSRGW-UHFFFAOYSA-N -1 1 273.344 1.817 20 0 CDADMM c1nc(N2CCCCCCCC2)cnc1-c1nn[n-]n1 ZINC001593590740 1174160659 /nfs/dbraw/zinc/16/06/59/1174160659.db2.gz DJDIRYXMGYSRGW-UHFFFAOYSA-N -1 1 273.344 1.817 20 0 CDADMM O=C([O-])CCCCNC1(c2ncccn2)CCOCC1 ZINC001595045788 1174194454 /nfs/dbraw/zinc/19/44/54/1174194454.db2.gz AYCOLWNGVUPYPS-UHFFFAOYSA-N -1 1 279.340 1.327 20 0 CDADMM Cc1ccc(CC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)o1 ZINC001600399176 1174462062 /nfs/dbraw/zinc/46/20/62/1174462062.db2.gz HWTDAOGBGMLGMJ-NSHDSACASA-N -1 1 294.351 1.138 20 0 CDADMM Cc1cnc(-c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)nc1 ZINC001600616193 1174529764 /nfs/dbraw/zinc/52/97/64/1174529764.db2.gz BVZTUYGCLLKBAL-UHFFFAOYSA-N -1 1 282.259 1.799 20 0 CDADMM Cc1nc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)n[nH]1 ZINC001600671436 1174558002 /nfs/dbraw/zinc/55/80/02/1174558002.db2.gz XFMSOTOYAVZOGA-LLVKDONJSA-N -1 1 298.705 1.821 20 0 CDADMM Cc1nc([C@@H](C)NCc2ccc(C(=O)[O-])cc2F)n[nH]1 ZINC001600791811 1174611933 /nfs/dbraw/zinc/61/19/33/1174611933.db2.gz HBTAKZABSUYGFJ-SSDOTTSWSA-N -1 1 278.287 1.801 20 0 CDADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001601568441 1174901720 /nfs/dbraw/zinc/90/17/20/1174901720.db2.gz RTLLJYYQPLMJLD-HNCHTBHHSA-N -1 1 291.351 1.348 20 0 CDADMM O=C([O-])C12CCC(c3nc([C@H]4CCCN4)no3)(CC1)C2 ZINC001601732309 1174974420 /nfs/dbraw/zinc/97/44/20/1174974420.db2.gz RBJBJTMVWJTGBB-BZFQTPOWSA-N -1 1 277.324 1.781 20 0 CDADMM O=C([O-])[C@H]1C[C@H](O)CN1Cc1ccc(CF)cc1 ZINC001601771136 1174999884 /nfs/dbraw/zinc/99/98/84/1174999884.db2.gz DEPYNOOCEYCHFO-NWDGAFQWSA-N -1 1 253.273 1.176 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1CN(Cc2ccsc2)C1 ZINC001601784386 1175005408 /nfs/dbraw/zinc/00/54/08/1175005408.db2.gz VTMXUJJWOIHIKZ-NWDGAFQWSA-N -1 1 294.376 1.017 20 0 CDADMM O=C([O-])[C@@H]1CCCCCN1C(=O)c1cnc(C2CC2)[nH]1 ZINC001601810818 1175018700 /nfs/dbraw/zinc/01/87/00/1175018700.db2.gz FWJDKBGIOPSNHU-NSHDSACASA-N -1 1 277.324 1.757 20 0 CDADMM O=C([O-])/C=C/c1ccc(CN2CCC[C@@H](OCCO)C2)o1 ZINC001601879546 1175049143 /nfs/dbraw/zinc/04/91/43/1175049143.db2.gz LPHNRHVFFVOIIA-URWSZGRFSA-N -1 1 295.335 1.351 20 0 CDADMM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)c1cncc2nc[nH]c21 ZINC001602107843 1175132458 /nfs/dbraw/zinc/13/24/58/1175132458.db2.gz JZODNGXXGRXOQI-WCBMZHEXSA-N -1 1 288.307 1.331 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1ccc(C2CC2)cc1 ZINC001602192692 1175156568 /nfs/dbraw/zinc/15/65/68/1175156568.db2.gz FUFJGMQEJITIQD-KGLIPLIRSA-N -1 1 261.321 1.584 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(Cc3cc(F)cc4c3OCOC4)C[C@@H]21 ZINC001602203855 1175161979 /nfs/dbraw/zinc/16/19/79/1175161979.db2.gz CYNHKLHDVGOXNT-ITGUQSILSA-N -1 1 293.294 1.455 20 0 CDADMM O=C([O-])c1ccc2[nH]c(CN(CCO)C3CCC3)nc2c1 ZINC001602406088 1175232741 /nfs/dbraw/zinc/23/27/41/1175232741.db2.gz AEDCKFOIEMOTIU-UHFFFAOYSA-N -1 1 289.335 1.608 20 0 CDADMM O=C([O-])c1ccccc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC001602463588 1175248463 /nfs/dbraw/zinc/24/84/63/1175248463.db2.gz KLQYWAZYANIMAA-LBPRGKRZSA-N -1 1 285.303 1.915 20 0 CDADMM O=C([O-])c1ccccc1Cc1nc([C@H]2CCCN2)no1 ZINC001602470784 1175250454 /nfs/dbraw/zinc/25/04/54/1175250454.db2.gz IPAFIMUSAQHWJB-LLVKDONJSA-N -1 1 273.292 1.783 20 0 CDADMM O=C([O-])c1cnoc1CN1CCC(n2cccn2)CC1 ZINC001602547699 1175287253 /nfs/dbraw/zinc/28/72/53/1175287253.db2.gz VYHXZPHRSDDQKT-UHFFFAOYSA-N -1 1 276.296 1.406 20 0 CDADMM C[C@H](C(=O)n1ncc(-c2nn[n-]n2)c1N)[C@H](C)C(C)(C)C ZINC001603036603 1175479914 /nfs/dbraw/zinc/47/99/14/1175479914.db2.gz GSSHSRGIVBEKEB-YUMQZZPRSA-N -1 1 291.359 1.604 20 0 CDADMM CC(C(=O)OCc1nc(-c2nnn[n-]2)cs1)=C1CCC1 ZINC001603037401 1175479970 /nfs/dbraw/zinc/47/99/70/1175479970.db2.gz NTYRMJRUPUMACB-UHFFFAOYSA-N -1 1 291.336 1.867 20 0 CDADMM CC(C(=O)OCc1nc(-c2nn[n-]n2)cs1)=C1CCC1 ZINC001603037401 1175479974 /nfs/dbraw/zinc/47/99/74/1175479974.db2.gz NTYRMJRUPUMACB-UHFFFAOYSA-N -1 1 291.336 1.867 20 0 CDADMM CC(C)(C)C[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001603071808 1175486563 /nfs/dbraw/zinc/48/65/63/1175486563.db2.gz QJZGGGRHJVDDQN-JTQLQIEISA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)(C)C[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001603071808 1175486567 /nfs/dbraw/zinc/48/65/67/1175486567.db2.gz QJZGGGRHJVDDQN-JTQLQIEISA-N -1 1 287.371 1.919 20 0 CDADMM CC(=O)c1cccc(CN2CCC([C@@H](O)C(=O)[O-])CC2)c1 ZINC001603118686 1175495376 /nfs/dbraw/zinc/49/53/76/1175495376.db2.gz VDMBOFHFECYADL-OAHLLOKOSA-N -1 1 291.347 1.547 20 0 CDADMM CC(C)(C)c1nc(Cn2cc(-c3nn[n-]n3)nn2)cs1 ZINC001603124030 1175495412 /nfs/dbraw/zinc/49/54/12/1175495412.db2.gz JFAMMZHUQDHELI-UHFFFAOYSA-N -1 1 290.356 1.261 20 0 CDADMM CC(C)CN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001603294747 1175532437 /nfs/dbraw/zinc/53/24/37/1175532437.db2.gz MPGRYEKWFBOUFG-UHFFFAOYSA-N -1 1 259.317 1.282 20 0 CDADMM CC(C)(C)c1nnc(SCc2cn(CC(=O)[O-])nn2)[nH]1 ZINC001603564329 1175565209 /nfs/dbraw/zinc/56/52/09/1175565209.db2.gz RJOLNWJKADXVKY-UHFFFAOYSA-N -1 1 296.356 1.071 20 0 CDADMM CC(C)(C)c1nc(SCc2cn(CC(=O)[O-])nn2)n[nH]1 ZINC001603564329 1175565212 /nfs/dbraw/zinc/56/52/12/1175565212.db2.gz RJOLNWJKADXVKY-UHFFFAOYSA-N -1 1 296.356 1.071 20 0 CDADMM CC(F)(F)CCNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001603595319 1175575441 /nfs/dbraw/zinc/57/54/41/1175575441.db2.gz PKOHPEYVTNZFAC-UHFFFAOYSA-N -1 1 295.297 1.991 20 0 CDADMM CC(F)(F)CCNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001603595319 1175575445 /nfs/dbraw/zinc/57/54/45/1175575445.db2.gz PKOHPEYVTNZFAC-UHFFFAOYSA-N -1 1 295.297 1.991 20 0 CDADMM C[C@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001603644269 1175584121 /nfs/dbraw/zinc/58/41/21/1175584121.db2.gz QOTHYUWESMEGPT-JTQLQIEISA-N -1 1 294.318 1.753 20 0 CDADMM C[C@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001603644269 1175584127 /nfs/dbraw/zinc/58/41/27/1175584127.db2.gz QOTHYUWESMEGPT-JTQLQIEISA-N -1 1 294.318 1.753 20 0 CDADMM CC1(C)C(C(=O)Nc2ncc(-c3nnn[n-]3)s2)C1(C)C ZINC001603755093 1175617775 /nfs/dbraw/zinc/61/77/75/1175617775.db2.gz PJPFKCWYZPATHR-UHFFFAOYSA-N -1 1 292.368 1.944 20 0 CDADMM CC1(C)C(C(=O)Nc2ncc(-c3nn[n-]n3)s2)C1(C)C ZINC001603755093 1175617782 /nfs/dbraw/zinc/61/77/82/1175617782.db2.gz PJPFKCWYZPATHR-UHFFFAOYSA-N -1 1 292.368 1.944 20 0 CDADMM CC(C)[C@H]1CCN(CN2CCC[C@](C)(C(=O)[O-])C2)C1=O ZINC001603757688 1175620310 /nfs/dbraw/zinc/62/03/10/1175620310.db2.gz WQWRUAUXHRONJC-DOMZBBRYSA-N -1 1 282.384 1.635 20 0 CDADMM CC(C)CC(C)(C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001603767886 1175623440 /nfs/dbraw/zinc/62/34/40/1175623440.db2.gz JQHOTIZAWYVUAW-NSHDSACASA-N -1 1 281.356 1.594 20 0 CDADMM CCCS(=O)(=O)[N-]c1c(C)csc1C(=O)OC ZINC000128699787 1175625581 /nfs/dbraw/zinc/62/55/81/1175625581.db2.gz JGFPUHBVSAPRGE-UHFFFAOYSA-N -1 1 277.367 1.995 20 0 CDADMM C[C@]1(CNc2cncc(-c3nnn[n-]3)n2)CC1(F)F ZINC001603807282 1175640443 /nfs/dbraw/zinc/64/04/43/1175640443.db2.gz KBWLGPCCBUCIQJ-SECBINFHSA-N -1 1 267.243 1.114 20 0 CDADMM C[C@]1(CNc2cncc(-c3nn[n-]n3)n2)CC1(F)F ZINC001603807282 1175640447 /nfs/dbraw/zinc/64/04/47/1175640447.db2.gz KBWLGPCCBUCIQJ-SECBINFHSA-N -1 1 267.243 1.114 20 0 CDADMM CC1=C(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)CCC1 ZINC001603827571 1175646665 /nfs/dbraw/zinc/64/66/65/1175646665.db2.gz WEKAPJHWRKRPOP-UHFFFAOYSA-N -1 1 284.323 1.725 20 0 CDADMM CC1=C(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)CCC1 ZINC001603827571 1175646669 /nfs/dbraw/zinc/64/66/69/1175646669.db2.gz WEKAPJHWRKRPOP-UHFFFAOYSA-N -1 1 284.323 1.725 20 0 CDADMM CC(C)Cc1noc(CN[C@@H](CC(=O)[O-])C2CC2)n1 ZINC001603853082 1175654733 /nfs/dbraw/zinc/65/47/33/1175654733.db2.gz LADBYFFIUJIRDS-JTQLQIEISA-N -1 1 267.329 1.611 20 0 CDADMM C[C@H]1CCC(=O)CN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001603874224 1175663956 /nfs/dbraw/zinc/66/39/56/1175663956.db2.gz SVLXRNAQQPTTTM-YFKPBYRVSA-N -1 1 298.759 1.534 20 0 CDADMM C[C@H]1CCC(=O)CN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001603874224 1175663957 /nfs/dbraw/zinc/66/39/57/1175663957.db2.gz SVLXRNAQQPTTTM-YFKPBYRVSA-N -1 1 298.759 1.534 20 0 CDADMM C[C@H]1CCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603890130 1175673557 /nfs/dbraw/zinc/67/35/57/1175673557.db2.gz BGGIKERQKMFSQQ-JGVFFNPUSA-N -1 1 261.285 1.378 20 0 CDADMM C[C@H]1CCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603890130 1175673562 /nfs/dbraw/zinc/67/35/62/1175673562.db2.gz BGGIKERQKMFSQQ-JGVFFNPUSA-N -1 1 261.285 1.378 20 0 CDADMM C[C@@H]1CCN(C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)C1 ZINC001603904106 1175678493 /nfs/dbraw/zinc/67/84/93/1175678493.db2.gz VWOFIKCQHFFVJY-SSDOTTSWSA-N -1 1 293.277 1.627 20 0 CDADMM C[C@@H]1CCN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)C1 ZINC001603904106 1175678497 /nfs/dbraw/zinc/67/84/97/1175678497.db2.gz VWOFIKCQHFFVJY-SSDOTTSWSA-N -1 1 293.277 1.627 20 0 CDADMM C[C@H]1CCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)[C@H]1C ZINC001603903837 1175679640 /nfs/dbraw/zinc/67/96/40/1175679640.db2.gz UFLOLSMHHFDDTP-IUCAKERBSA-N -1 1 289.314 1.876 20 0 CDADMM C[C@H]1CCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)[C@H]1C ZINC001603903837 1175679636 /nfs/dbraw/zinc/67/96/36/1175679636.db2.gz UFLOLSMHHFDDTP-IUCAKERBSA-N -1 1 289.314 1.876 20 0 CDADMM CC(C)c1[nH]ncc1C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC001603988634 1175709101 /nfs/dbraw/zinc/70/91/01/1175709101.db2.gz VJGWVPGNIBVRBI-UHFFFAOYSA-N -1 1 277.284 1.067 20 0 CDADMM CC[C@@](C)(CNc1ccc(C)c(-c2nnn[n-]2)n1)OC ZINC001603987385 1175710103 /nfs/dbraw/zinc/71/01/03/1175710103.db2.gz RIUKEDHEYCSHRB-ZDUSSCGKSA-N -1 1 276.344 1.797 20 0 CDADMM CC[C@@](C)(CNc1ccc(C)c(-c2nn[n-]n2)n1)OC ZINC001603987385 1175710106 /nfs/dbraw/zinc/71/01/06/1175710106.db2.gz RIUKEDHEYCSHRB-ZDUSSCGKSA-N -1 1 276.344 1.797 20 0 CDADMM CC[C@H](CNc1cc(C)nc(-c2nnn[n-]2)c1)OC ZINC001604041113 1175731949 /nfs/dbraw/zinc/73/19/49/1175731949.db2.gz YERQXFQEQMHGLO-SNVBAGLBSA-N -1 1 262.317 1.407 20 0 CDADMM CC[C@H](CNc1cc(C)nc(-c2nn[n-]n2)c1)OC ZINC001604041113 1175731958 /nfs/dbraw/zinc/73/19/58/1175731958.db2.gz YERQXFQEQMHGLO-SNVBAGLBSA-N -1 1 262.317 1.407 20 0 CDADMM CC[C@H]1CCCC[C@H]1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001604101312 1175759967 /nfs/dbraw/zinc/75/99/67/1175759967.db2.gz RBMQXHJMNOBBKI-DTWKUNHWSA-N -1 1 289.343 1.502 20 0 CDADMM CC[C@@H]1CN(c2cc(-c3nnn[n-]3)ncn2)[C@@H](CC)CO1 ZINC001604111328 1175769178 /nfs/dbraw/zinc/76/91/78/1175769178.db2.gz CAQZTRYKZFNSBZ-VHSXEESVSA-N -1 1 289.343 1.051 20 0 CDADMM CC[C@@H]1CN(c2cc(-c3nn[n-]n3)ncn2)[C@@H](CC)CO1 ZINC001604111328 1175769184 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296.762 1.878 20 0 CDADMM Cn1cc(CSc2nc(C(F)F)cc(=O)[n-]2)nn1 ZINC000568698459 294083427 /nfs/dbraw/zinc/08/34/27/294083427.db2.gz MAGYMFPJTYJNCB-UHFFFAOYSA-N -1 1 273.268 1.541 20 0 CDADMM Cc1o[n-]c(=N)c1S(=O)(=O)NC[C@@H]1CCCC[C@H]1C ZINC000568933292 294124863 /nfs/dbraw/zinc/12/48/63/294124863.db2.gz IRDKZTMLKZGQLF-SCZZXKLOSA-N -1 1 287.385 1.500 20 0 CDADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1C ZINC000568933292 294124865 /nfs/dbraw/zinc/12/48/65/294124865.db2.gz IRDKZTMLKZGQLF-SCZZXKLOSA-N -1 1 287.385 1.500 20 0 CDADMM Cc1cccc2nc(-c3cnc(N)cn3)[n-]c(=O)c12 ZINC000570433668 294237636 /nfs/dbraw/zinc/23/76/36/294237636.db2.gz XSEMTABVUBCPNS-UHFFFAOYSA-N -1 1 253.265 1.683 20 0 CDADMM Cc1cc(C)cc(CS(=O)(=O)[N-]c2c[nH]cn2)c1 ZINC000570702251 294293097 /nfs/dbraw/zinc/29/30/97/294293097.db2.gz INGDDSRYXHDEGI-UHFFFAOYSA-N -1 1 265.338 1.968 20 0 CDADMM CCCc1nc(=NC[C@@H](CC2CC2)C(=O)OC)s[n-]1 ZINC000570727208 294297363 /nfs/dbraw/zinc/29/73/63/294297363.db2.gz 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/nfs/dbraw/zinc/49/58/18/1173495818.db2.gz OGJDPICAMMIFGU-UHFFFAOYSA-N -1 1 275.312 1.722 20 0 CDADMM Cc1cnc(C(=O)N2CC[S@](=O)CC[C@@H]2C)c([O-])c1 ZINC000432457090 302333428 /nfs/dbraw/zinc/33/34/28/302333428.db2.gz OKXJWCDJFJZZLN-APBUJDDRSA-N -1 1 282.365 1.079 20 0 CDADMM CN(CCC1CC1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591064954 1173568547 /nfs/dbraw/zinc/56/85/47/1173568547.db2.gz ZYCBDJBSKPMTLF-UHFFFAOYSA-N -1 1 261.285 1.332 20 0 CDADMM CN(CCC1CC1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591064954 1173568556 /nfs/dbraw/zinc/56/85/56/1173568556.db2.gz ZYCBDJBSKPMTLF-UHFFFAOYSA-N -1 1 261.285 1.332 20 0 CDADMM CO[C@H]([C@@H](C)Nc1cc(-c2nnn[n-]2)nc(C)n1)C1CC1 ZINC001591327622 1173613030 /nfs/dbraw/zinc/61/30/30/1173613030.db2.gz UUPUURMRAXUHEY-JMCQJSRRSA-N -1 1 289.343 1.191 20 0 CDADMM CO[C@H]([C@@H](C)Nc1cc(-c2nn[n-]n2)nc(C)n1)C1CC1 ZINC001591327622 1173613033 /nfs/dbraw/zinc/61/30/33/1173613033.db2.gz UUPUURMRAXUHEY-JMCQJSRRSA-N -1 1 289.343 1.191 20 0 CDADMM COCCCCCNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001591411480 1173648986 /nfs/dbraw/zinc/64/89/86/1173648986.db2.gz RACOKXNLHKWBQZ-UHFFFAOYSA-N -1 1 276.344 1.799 20 0 CDADMM COCCCCCNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001591411480 1173648993 /nfs/dbraw/zinc/64/89/93/1173648993.db2.gz RACOKXNLHKWBQZ-UHFFFAOYSA-N -1 1 276.344 1.799 20 0 CDADMM COCCOCCSCc1ccnc(-c2nnn[n-]2)c1 ZINC001591440666 1173651280 /nfs/dbraw/zinc/65/12/80/1173651280.db2.gz RFIQUKFRTNSICI-UHFFFAOYSA-N -1 1 295.368 1.158 20 0 CDADMM COCCOCCSCc1ccnc(-c2nn[n-]n2)c1 ZINC001591440666 1173651284 /nfs/dbraw/zinc/65/12/84/1173651284.db2.gz RFIQUKFRTNSICI-UHFFFAOYSA-N -1 1 295.368 1.158 20 0 CDADMM CSC1(COC(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001591692569 1173685092 /nfs/dbraw/zinc/68/50/92/1173685092.db2.gz UHGXDMDALHVPOJ-UHFFFAOYSA-N -1 1 280.309 1.512 20 0 CDADMM CS[C@@H]1CCN(c2cc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001591694054 1173685348 /nfs/dbraw/zinc/68/53/48/1173685348.db2.gz XPBHPSCTNSXDBV-SECBINFHSA-N -1 1 276.369 1.512 20 0 CDADMM CS[C@@H]1CCN(c2cc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001591694054 1173685353 /nfs/dbraw/zinc/68/53/53/1173685353.db2.gz XPBHPSCTNSXDBV-SECBINFHSA-N -1 1 276.369 1.512 20 0 CDADMM CSCCNC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001591700498 1173689317 /nfs/dbraw/zinc/68/93/17/1173689317.db2.gz YGVIIUPAGMPLDI-UHFFFAOYSA-N -1 1 299.385 1.116 20 0 CDADMM CSCCNC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001591700498 1173689320 /nfs/dbraw/zinc/68/93/20/1173689320.db2.gz YGVIIUPAGMPLDI-UHFFFAOYSA-N -1 1 299.385 1.116 20 0 CDADMM CN1CCO[C@H](c2nc(-c3ccc([O-])cc3F)no2)C1 ZINC000351235935 316247247 /nfs/dbraw/zinc/24/72/47/316247247.db2.gz ZJIZGSKGDJRKBO-NSHDSACASA-N -1 1 279.271 1.584 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCCOCCC(C)C)n1 ZINC001591899801 1173744321 /nfs/dbraw/zinc/74/43/21/1173744321.db2.gz YTIDXLRHZLJSQQ-UHFFFAOYSA-N -1 1 291.359 1.440 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCCOCCC(C)C)n1 ZINC001591899801 1173744325 /nfs/dbraw/zinc/74/43/25/1173744325.db2.gz YTIDXLRHZLJSQQ-UHFFFAOYSA-N -1 1 291.359 1.440 20 0 CDADMM COC(=O)[C@H](NCc1ncccc1[O-])c1cccc(O)c1 ZINC000563572062 316332824 /nfs/dbraw/zinc/33/28/24/316332824.db2.gz RZCXMPYXPILABR-CQSZACIVSA-N -1 1 288.303 1.497 20 0 CDADMM CCC[C@@H]1CNCCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000569978018 316887736 /nfs/dbraw/zinc/88/77/36/316887736.db2.gz UVLNZLJSJADARU-CYBMUJFWSA-N -1 1 276.336 1.599 20 0 CDADMM O=C(NCCc1ccc2n[nH]cc2c1)c1ncccc1[O-] ZINC000576020779 317060062 /nfs/dbraw/zinc/06/00/62/317060062.db2.gz GJWXONZMHOIINN-UHFFFAOYSA-N -1 1 282.303 1.636 20 0 CDADMM CC[C@@H](C)N(CC(=O)OC)C(=O)c1cccc2nn[nH]c21 ZINC000577064049 317258689 /nfs/dbraw/zinc/25/86/89/317258689.db2.gz YRVBYDSTVKIDOS-SECBINFHSA-N -1 1 290.323 1.372 20 0 CDADMM Cc1cc(N[C@@H]2CCOC2(C)C)nc(-c2nnn[n-]2)c1 ZINC001592039255 1173782089 /nfs/dbraw/zinc/78/20/89/1173782089.db2.gz BEXZCFOGJGNWDD-SNVBAGLBSA-N -1 1 274.328 1.550 20 0 CDADMM Cc1cc(N[C@@H]2CCOC2(C)C)nc(-c2nn[n-]n2)c1 ZINC001592039255 1173782097 /nfs/dbraw/zinc/78/20/97/1173782097.db2.gz BEXZCFOGJGNWDD-SNVBAGLBSA-N -1 1 274.328 1.550 20 0 CDADMM Cc1cc(N[C@H]2CCOC2(C)C)nc(-c2nnn[n-]2)c1 ZINC001592039254 1173782345 /nfs/dbraw/zinc/78/23/45/1173782345.db2.gz BEXZCFOGJGNWDD-JTQLQIEISA-N -1 1 274.328 1.550 20 0 CDADMM Cc1cc(N[C@H]2CCOC2(C)C)nc(-c2nn[n-]n2)c1 ZINC001592039254 1173782353 /nfs/dbraw/zinc/78/23/53/1173782353.db2.gz BEXZCFOGJGNWDD-JTQLQIEISA-N -1 1 274.328 1.550 20 0 CDADMM Cc1cc(NC[C@H]2CCSC2)nc(-c2nnn[n-]2)c1 ZINC001592045724 1173784709 /nfs/dbraw/zinc/78/47/09/1173784709.db2.gz XRWRPQPPWWDLSP-SECBINFHSA-N -1 1 276.369 1.735 20 0 CDADMM Cc1cc(NC[C@H]2CCSC2)nc(-c2nn[n-]n2)c1 ZINC001592045724 1173784713 /nfs/dbraw/zinc/78/47/13/1173784713.db2.gz XRWRPQPPWWDLSP-SECBINFHSA-N -1 1 276.369 1.735 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H]1CC[C@H](C)O1 ZINC001592113409 1173806551 /nfs/dbraw/zinc/80/65/51/1173806551.db2.gz GDUZFPSRUGCJOJ-VHSXEESVSA-N -1 1 274.328 1.550 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@H](C)C(F)(F)F)c1-c1nn[n-]n1 ZINC001592327111 1173854644 /nfs/dbraw/zinc/85/46/44/1173854644.db2.gz CLXMAUCIGNMYJD-VKHMYHEASA-N -1 1 289.221 1.035 20 0 CDADMM O=C(COC[C@@H]1CCCO1)Nc1ccc([O-])c(F)c1F ZINC000578720200 324003735 /nfs/dbraw/zinc/00/37/35/324003735.db2.gz VTRSTXHGVPZZOV-QMMMGPOBSA-N -1 1 287.262 1.805 20 0 CDADMM C[C@H](NC(=O)CCC(=O)[O-])C1(N2CCOCC2)CCCC1 ZINC000578987577 324073657 /nfs/dbraw/zinc/07/36/57/324073657.db2.gz GXDBOALLGYQZQM-LBPRGKRZSA-N -1 1 298.383 1.001 20 0 CDADMM C[C@@H]1CC=CC[C@H]1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000579016971 324084613 /nfs/dbraw/zinc/08/46/13/324084613.db2.gz BNHPSKFMRIESHW-IJLUTSLNSA-N -1 1 275.356 1.508 20 0 CDADMM CC(C)Cn1nccc1C(=O)Nc1ccncc1[O-] ZINC000579250447 324141992 /nfs/dbraw/zinc/14/19/92/324141992.db2.gz RTAVTGDDVQELJN-UHFFFAOYSA-N -1 1 260.297 1.314 20 0 CDADMM CCOC(=O)[C@@H](NCc1ncccc1[O-])[C@H]1CCCOC1 ZINC000579408272 324179265 /nfs/dbraw/zinc/17/92/65/324179265.db2.gz YWSKCBLGNOONBP-FZMZJTMJSA-N -1 1 294.351 1.235 20 0 CDADMM Cc1ncc(CCNc2cc(-c3nnn[n-]3)ncn2)s1 ZINC001592411082 1173883967 /nfs/dbraw/zinc/88/39/67/1173883967.db2.gz OIZQXKPXRHEHBO-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM Cc1ncc(CCNc2cc(-c3nn[n-]n3)ncn2)s1 ZINC001592411082 1173883973 /nfs/dbraw/zinc/88/39/73/1173883973.db2.gz OIZQXKPXRHEHBO-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM CCc1cc(=O)[n-]c(C[N@@H+]2C[C@@H](C)[C@](C)(C(=O)[O-])C2)n1 ZINC000583877650 325259701 /nfs/dbraw/zinc/25/97/01/325259701.db2.gz TXBWTEUKXNBHNO-YMTOWFKASA-N -1 1 279.340 1.287 20 0 CDADMM CCc1cc(=O)[n-]c(C[N@H+]2C[C@@H](C)[C@](C)(C(=O)[O-])C2)n1 ZINC000583877650 325259703 /nfs/dbraw/zinc/25/97/03/325259703.db2.gz TXBWTEUKXNBHNO-YMTOWFKASA-N -1 1 279.340 1.287 20 0 CDADMM Cc1nsc(NCCC2(CO)CC2)c1-c1nn[n-]n1 ZINC001592491237 1173901407 /nfs/dbraw/zinc/90/14/07/1173901407.db2.gz MKFGZRRCPDNANB-UHFFFAOYSA-N -1 1 280.357 1.206 20 0 CDADMM Cc1nsc(NCC(C)(C)C[C@H](C)O)c1-c1nn[n-]n1 ZINC001592486780 1173901661 /nfs/dbraw/zinc/90/16/61/1173901661.db2.gz SBZBCXYBRUQKTF-ZETCQYMHSA-N -1 1 296.400 1.841 20 0 CDADMM COC(=O)c1ccc(C(=O)O[C@H](C)C(=O)C2CC2)[n-]1 ZINC000796368573 687205754 /nfs/dbraw/zinc/20/57/54/687205754.db2.gz FNUZOVUXSHJWBP-SSDOTTSWSA-N -1 1 265.265 1.326 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1COC(C)(C)C1 ZINC001592503858 1173908391 /nfs/dbraw/zinc/90/83/91/1173908391.db2.gz YYTKLBNXHRFFAE-QMMMGPOBSA-N -1 1 291.311 1.065 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1COC(C)(C)C1 ZINC001592503858 1173908396 /nfs/dbraw/zinc/90/83/96/1173908396.db2.gz YYTKLBNXHRFFAE-QMMMGPOBSA-N -1 1 291.311 1.065 20 0 CDADMM CC(=O)OC[C@H](C)NCc1cc(C)c(C(=O)[O-])o1 ZINC001603088542 1175489315 /nfs/dbraw/zinc/48/93/15/1175489315.db2.gz YKJFPBLTBFWBBR-QMMMGPOBSA-N -1 1 255.270 1.327 20 0 CDADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)CCCCCO ZINC000227098074 1160172236 /nfs/dbraw/zinc/17/22/36/1160172236.db2.gz KWBKKYTVTRCEAC-UHFFFAOYSA-N -1 1 299.396 1.035 20 0 CDADMM Cc1csc(CCNC(=O)C(=O)c2ccc([O-])cc2)n1 ZINC000672728802 482439542 /nfs/dbraw/zinc/43/95/42/482439542.db2.gz ANGSMYIFEDIBER-UHFFFAOYSA-N -1 1 290.344 1.699 20 0 CDADMM O=C1NC(=O)N2CC[N@H+](Cc3ccccc3C3CC3)C[C@@H]12 ZINC000680649592 482544096 /nfs/dbraw/zinc/54/40/96/482544096.db2.gz CFHDFMDIUVXIAO-AWEZNQCLSA-N -1 1 285.347 1.300 20 0 CDADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)cn1C ZINC000672430915 482584081 /nfs/dbraw/zinc/58/40/81/482584081.db2.gz LPAHMZVGLPWULA-QMMMGPOBSA-N -1 1 279.312 1.195 20 0 CDADMM CC1N=NC(C(=O)Nc2cccnc2N(C)C)=C1[O-] ZINC000682359418 482625649 /nfs/dbraw/zinc/62/56/49/482625649.db2.gz ARNQUSFDWLNJKT-UHFFFAOYSA-N -1 1 261.285 1.137 20 0 CDADMM CC(C)(CNC(=O)c1ccc([O-])c(F)c1)N1CCOCC1 ZINC000681015184 482656840 /nfs/dbraw/zinc/65/68/40/482656840.db2.gz BIGMUMCMMVDZQE-UHFFFAOYSA-N -1 1 296.342 1.372 20 0 CDADMM NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681052711 482672840 /nfs/dbraw/zinc/67/28/40/482672840.db2.gz CNIMJKBIDYAKQF-ONGXEEELSA-N -1 1 280.299 1.305 20 0 CDADMM O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc([O-])c(F)c1 ZINC000681058492 482677012 /nfs/dbraw/zinc/67/70/12/482677012.db2.gz NZBNLCKEIXIAKK-LSDHHAIUSA-N -1 1 287.290 1.919 20 0 CDADMM CC(C)(C)c1nc(CNC(=O)NCCCCC(=O)[O-])n[nH]1 ZINC000666551901 482768193 /nfs/dbraw/zinc/76/81/93/482768193.db2.gz KXLKMYGKXNRDQC-UHFFFAOYSA-N -1 1 297.359 1.156 20 0 CDADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)[C@@H]1CC12CCCC2 ZINC000673854570 482857239 /nfs/dbraw/zinc/85/72/39/482857239.db2.gz XDHKWYFHDCCGRW-STQMWFEESA-N -1 1 297.362 1.986 20 0 CDADMM C[C@H](C(=O)NCc1nn[n-]n1)c1ccc(Cl)s1 ZINC000674241799 482966555 /nfs/dbraw/zinc/96/65/55/482966555.db2.gz FBUYWCOXQYANFD-YFKPBYRVSA-N -1 1 271.733 1.335 20 0 CDADMM O=C(N[C@@H](CO)CC1CC1)c1cc(Cl)ccc1[O-] ZINC000678386109 483055430 /nfs/dbraw/zinc/05/54/30/483055430.db2.gz LGRPSIGSWUUMGM-SNVBAGLBSA-N -1 1 269.728 1.936 20 0 CDADMM C[C@@H](Nc1nc2[nH][n-]cc-2c(=O)n1)c1ccsc1 ZINC000669827312 483169905 /nfs/dbraw/zinc/16/99/05/483169905.db2.gz HIJHLLVJPJVJAG-ZCFIWIBFSA-N -1 1 261.310 1.667 20 0 CDADMM CC[C@H](C(=O)NCc1nn[n-]n1)c1ccc(OC)cc1 ZINC000678838271 483189893 /nfs/dbraw/zinc/18/98/93/483189893.db2.gz 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/nfs/dbraw/zinc/76/49/84/520764984.db2.gz RVHBOWSFWBQZSI-UHFFFAOYSA-N -1 1 287.319 1.222 20 0 CDADMM CCC[C@H](NCC(=O)NCc1cccc(OC)c1)C(=O)[O-] ZINC000036839878 521153891 /nfs/dbraw/zinc/15/38/91/521153891.db2.gz SSUUKQXRZZXHTM-ZDUSSCGKSA-N -1 1 294.351 1.154 20 0 CDADMM CCCc1cc(=O)[n-]c(SCc2ccnc(N)c2)n1 ZINC000052756066 521343906 /nfs/dbraw/zinc/34/39/06/521343906.db2.gz UADUEWABGFWZCA-UHFFFAOYSA-N -1 1 276.365 1.992 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)c2cnn(CC)c2)n1 ZINC000339393891 521572486 /nfs/dbraw/zinc/57/24/86/521572486.db2.gz WQHBAZHOEQECNW-UHFFFAOYSA-N -1 1 277.284 1.055 20 0 CDADMM CC[C@@H](C)N1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000055067589 522113028 /nfs/dbraw/zinc/11/30/28/522113028.db2.gz BUJUOWXJHMMMCZ-MCIONIFRSA-N -1 1 296.411 1.820 20 0 CDADMM CN(CCCC(=O)OC(C)(C)C)C(=O)c1cncc([O-])c1 ZINC000339927228 522725427 /nfs/dbraw/zinc/72/54/27/522725427.db2.gz WCYZQILBUGUXJZ-UHFFFAOYSA-N -1 1 294.351 1.981 20 0 CDADMM CCc1oncc1[N-]S(=O)(=O)N1CC[C@H](C)C1 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Cc1nc(CN[C@H](C)c2ccc(OCC(=O)[O-])cc2)n[nH]1 ZINC001600670371 1174556917 /nfs/dbraw/zinc/55/69/17/1174556917.db2.gz FIFFZTSYBARZEZ-SECBINFHSA-N -1 1 290.323 1.427 20 0 CDADMM Cc1[nH]ncc1CN(C)Cc1noc(CCCC(=O)[O-])n1 ZINC001600674885 1174558498 /nfs/dbraw/zinc/55/84/98/1174558498.db2.gz PXVAXFDTOZWZHE-UHFFFAOYSA-N -1 1 293.327 1.140 20 0 CDADMM Cc1ncc(CN(CCC(=O)[O-])C[C@H]2CCCO2)n1C ZINC001600735927 1174583036 /nfs/dbraw/zinc/58/30/36/1174583036.db2.gz JWRUQWGBCASDHB-CYBMUJFWSA-N -1 1 281.356 1.184 20 0 CDADMM NCc1cc(C(=O)N[C@@H](CC(=O)[O-])C2CCCC2)co1 ZINC001601190367 1174783373 /nfs/dbraw/zinc/78/33/73/1174783373.db2.gz GOZOHHUMQDBRCS-LBPRGKRZSA-N -1 1 280.324 1.502 20 0 CDADMM Nc1ccnc(CNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC001601219022 1174795987 /nfs/dbraw/zinc/79/59/87/1174795987.db2.gz UNPNOLBPDZQBON-UWVGGRQHSA-N -1 1 277.324 1.171 20 0 CDADMM CCOC(=O)CN(C)C(=O)c1c([O-])cccc1Cl ZINC000725892749 574458002 /nfs/dbraw/zinc/45/80/02/574458002.db2.gz YMQHFBPMQHBGFS-UHFFFAOYSA-N -1 1 271.700 1.681 20 0 CDADMM Cc1nnc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)n1C1CC1 ZINC000738934041 574476652 /nfs/dbraw/zinc/47/66/52/574476652.db2.gz OLWALOMFTPOOSS-LBPRGKRZSA-N -1 1 290.367 1.608 20 0 CDADMM Cc1oc(C(=O)[O-])cc1CN1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000738964475 574487631 /nfs/dbraw/zinc/48/76/31/574487631.db2.gz UUAZMKBJYCUJJO-QWRGUYRKSA-N -1 1 296.367 1.173 20 0 CDADMM O[C@H](CNc1cccc(-c2nnn[n-]2)n1)c1ccco1 ZINC000738380356 574525819 /nfs/dbraw/zinc/52/58/19/574525819.db2.gz BHDGQFMGORZMFJ-SECBINFHSA-N -1 1 272.268 1.000 20 0 CDADMM O[C@H](CNc1cccc(-c2nn[n-]n2)n1)c1ccco1 ZINC000738380356 574525821 /nfs/dbraw/zinc/52/58/21/574525821.db2.gz BHDGQFMGORZMFJ-SECBINFHSA-N -1 1 272.268 1.000 20 0 CDADMM CC(C)[C@@H](C(=O)O[C@@H](C)C(=O)[O-])N1CCCCC1 ZINC000737704170 574583138 /nfs/dbraw/zinc/58/31/38/574583138.db2.gz MRZFLEUQKHUKKK-QWRGUYRKSA-N -1 1 257.330 1.513 20 0 CDADMM Cc1nonc1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000735928033 575536585 /nfs/dbraw/zinc/53/65/85/575536585.db2.gz GFRJTKVBKYILNM-UHFFFAOYSA-N -1 1 267.672 1.667 20 0 CDADMM CCCC[C@H](CC)CNC(=S)NN1CC(=O)[N-]C1=O ZINC000730594139 574994653 /nfs/dbraw/zinc/99/46/53/574994653.db2.gz OJGFHMQFJUOLEG-VIFPVBQESA-N -1 1 286.401 1.134 20 0 CDADMM CCc1cc(=O)[n-]c(SC[C@@H]2CC3(CC3)C(=O)O2)n1 ZINC000767057325 575103528 /nfs/dbraw/zinc/10/35/28/575103528.db2.gz KBOOPZKZUAWMDD-VIFPVBQESA-N -1 1 280.349 1.932 20 0 CDADMM O=C([O-])[C@H]1[C@@H](CN2CCOC3(CCC3)C2)C1(F)F ZINC001601751304 1174986685 /nfs/dbraw/zinc/98/66/85/1174986685.db2.gz UBFLQQIAJLZRDN-RKDXNWHRSA-N -1 1 261.268 1.207 20 0 CDADMM O=C(C[C@@H]1Oc2ccccc2NC1=O)[N-]OCC(F)F ZINC000760161146 576462657 /nfs/dbraw/zinc/46/26/57/576462657.db2.gz UTJQFSJQOZQODA-VIFPVBQESA-N -1 1 286.234 1.089 20 0 CDADMM CC(=O)Nc1ccc(OS(=O)(=O)c2c[n-]cn2)c(F)c1 ZINC000742336835 576596359 /nfs/dbraw/zinc/59/63/59/576596359.db2.gz BYEDVCOCQRRODF-UHFFFAOYSA-N -1 1 299.283 1.275 20 0 CDADMM CC[C@H](NC(=S)NN1CC(=O)[N-]C1=O)c1cccs1 ZINC000734369794 575339659 /nfs/dbraw/zinc/33/96/59/575339659.db2.gz GSVALTLUQAQEKV-ZETCQYMHSA-N -1 1 298.393 1.130 20 0 CDADMM CC(C)(C)[C@H](NC(=O)c1c([O-])cccc1Cl)C(N)=O ZINC000769973652 575405283 /nfs/dbraw/zinc/40/52/83/575405283.db2.gz WVNKSENQSJYILL-SNVBAGLBSA-N -1 1 284.743 1.675 20 0 CDADMM CC(C)(C)OCCNc1cccc(-c2nnn[n-]2)n1 ZINC000735639620 575494132 /nfs/dbraw/zinc/49/41/32/575494132.db2.gz KBVISOHYAZREME-UHFFFAOYSA-N -1 1 262.317 1.489 20 0 CDADMM CC(C)(C)OCCNc1cccc(-c2nn[n-]n2)n1 ZINC000735639620 575494135 /nfs/dbraw/zinc/49/41/35/575494135.db2.gz KBVISOHYAZREME-UHFFFAOYSA-N -1 1 262.317 1.489 20 0 CDADMM C[C@H]1CC(Nc2nccnc2-c2nnn[n-]2)C[C@H](C)C1 ZINC000736224054 575593437 /nfs/dbraw/zinc/59/34/37/575593437.db2.gz LFINAJMPCUMUOK-RKDXNWHRSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@H]1CC(Nc2nccnc2-c2nn[n-]n2)C[C@H](C)C1 ZINC000736224054 575593439 /nfs/dbraw/zinc/59/34/39/575593439.db2.gz LFINAJMPCUMUOK-RKDXNWHRSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@H]1C[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736235223 575596823 /nfs/dbraw/zinc/59/68/23/575596823.db2.gz FAGVRNHRIWZKDW-CAHLUQPWSA-N -1 1 250.693 1.735 20 0 CDADMM C[C@H]1C[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736235223 575596826 /nfs/dbraw/zinc/59/68/26/575596826.db2.gz FAGVRNHRIWZKDW-CAHLUQPWSA-N -1 1 250.693 1.735 20 0 CDADMM C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736248530 575600066 /nfs/dbraw/zinc/60/00/66/575600066.db2.gz JBLDYKGHHCHYIR-AOOOYVTPSA-N -1 1 286.339 1.665 20 0 CDADMM C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736248530 575600069 /nfs/dbraw/zinc/60/00/69/575600069.db2.gz JBLDYKGHHCHYIR-AOOOYVTPSA-N -1 1 286.339 1.665 20 0 CDADMM C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736248532 575600199 /nfs/dbraw/zinc/60/01/99/575600199.db2.gz JBLDYKGHHCHYIR-UWVGGRQHSA-N -1 1 286.339 1.665 20 0 CDADMM C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736248532 575600201 /nfs/dbraw/zinc/60/02/01/575600201.db2.gz JBLDYKGHHCHYIR-UWVGGRQHSA-N -1 1 286.339 1.665 20 0 CDADMM C[C@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)CCO1 ZINC000736288538 575611118 /nfs/dbraw/zinc/61/11/18/575611118.db2.gz IVNHSDHMQASKCX-JTQLQIEISA-N -1 1 296.334 1.640 20 0 CDADMM C[C@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)CCO1 ZINC000736288538 575611120 /nfs/dbraw/zinc/61/11/20/575611120.db2.gz IVNHSDHMQASKCX-JTQLQIEISA-N -1 1 296.334 1.640 20 0 CDADMM C[C@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CCO1 ZINC000736289752 575611887 /nfs/dbraw/zinc/61/18/87/575611887.db2.gz NCGONUSKCAIFNO-VIFPVBQESA-N -1 1 297.322 1.035 20 0 CDADMM C[C@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CCO1 ZINC000736289752 575611889 /nfs/dbraw/zinc/61/18/89/575611889.db2.gz NCGONUSKCAIFNO-VIFPVBQESA-N -1 1 297.322 1.035 20 0 CDADMM COCCO[N-]C(=O)[C@@H](C)c1cn(C)c2ccccc12 ZINC000772136750 575665312 /nfs/dbraw/zinc/66/53/12/575665312.db2.gz STBBJUWIDXXNCG-NSHDSACASA-N -1 1 276.336 1.976 20 0 CDADMM CCN1CCN(CC(=O)[N-]OCc2ccccc2)C[C@@H]1C ZINC000772222119 575673154 /nfs/dbraw/zinc/67/31/54/575673154.db2.gz WYIFQAWZDNALCA-AWEZNQCLSA-N -1 1 291.395 1.260 20 0 CDADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCCCC1 ZINC000736749232 575732793 /nfs/dbraw/zinc/73/27/93/575732793.db2.gz OFIQBOROYQTFEK-UHFFFAOYSA-N -1 1 286.339 1.666 20 0 CDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)C1CCCCC1 ZINC000736749232 575732797 /nfs/dbraw/zinc/73/27/97/575732797.db2.gz OFIQBOROYQTFEK-UHFFFAOYSA-N -1 1 286.339 1.666 20 0 CDADMM CCOCCO[N-]C(=O)Cc1c(OC)cccc1OC ZINC000772697259 575737762 /nfs/dbraw/zinc/73/77/62/575737762.db2.gz LBJJBUKNASCNNL-UHFFFAOYSA-N -1 1 283.324 1.331 20 0 CDADMM Cc1cccn2cc(CC(=O)[N-]OC3CCOCC3)nc12 ZINC000772724599 575743842 /nfs/dbraw/zinc/74/38/42/575743842.db2.gz NIVPLFKRSPTNAD-UHFFFAOYSA-N -1 1 289.335 1.412 20 0 CDADMM Cc1ccc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)s1 ZINC000773148570 575785925 /nfs/dbraw/zinc/78/59/25/575785925.db2.gz FIBDMVUHLCRTHZ-QMMMGPOBSA-N -1 1 295.393 1.500 20 0 CDADMM CCN1CCCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000737114504 575826752 /nfs/dbraw/zinc/82/67/52/575826752.db2.gz JPTNGOWZZQRYRE-NWDGAFQWSA-N -1 1 283.372 1.119 20 0 CDADMM CCC/C(C)=C/C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000774001055 575847706 /nfs/dbraw/zinc/84/77/06/575847706.db2.gz AQHVCTQXBBSYMH-PCYYEKQGSA-N -1 1 251.334 1.508 20 0 CDADMM CCOc1cccc(N2CCN(CCC(=O)[O-])CC2)n1 ZINC000737213535 575901777 /nfs/dbraw/zinc/90/17/77/575901777.db2.gz QYLJMKIZWGCJLP-UHFFFAOYSA-N -1 1 279.340 1.077 20 0 CDADMM Cc1cc(CNc2nccnc2-c2nnn[n-]2)ccc1F ZINC000737265623 575924697 /nfs/dbraw/zinc/92/46/97/575924697.db2.gz YFKCIUOXNCGRBX-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1cc(CNc2nccnc2-c2nn[n-]n2)ccc1F ZINC000737265623 575924708 /nfs/dbraw/zinc/92/47/08/575924708.db2.gz YFKCIUOXNCGRBX-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1ccc([C@H](O)CNc2cccc(-c3nnn[n-]3)n2)o1 ZINC000737320838 575940683 /nfs/dbraw/zinc/94/06/83/575940683.db2.gz WIIFRXNUUIJZSZ-SNVBAGLBSA-N -1 1 286.295 1.309 20 0 CDADMM Cc1ccc([C@H](O)CNc2cccc(-c3nn[n-]n3)n2)o1 ZINC000737320838 575940684 /nfs/dbraw/zinc/94/06/84/575940684.db2.gz WIIFRXNUUIJZSZ-SNVBAGLBSA-N -1 1 286.295 1.309 20 0 CDADMM CN(CC(=O)Nc1ccccc1C(=O)[O-])CC(C)(C)O ZINC000737396900 575955144 /nfs/dbraw/zinc/95/51/44/575955144.db2.gz KKQNQYNSEOKNHE-UHFFFAOYSA-N -1 1 280.324 1.026 20 0 CDADMM Clc1ccc(N2CCCSCC2)nc1-c1nnn[n-]1 ZINC000737575405 575994625 /nfs/dbraw/zinc/99/46/25/575994625.db2.gz JKGDVESKHPTATO-UHFFFAOYSA-N -1 1 296.787 1.858 20 0 CDADMM Clc1ccc(N2CCCSCC2)nc1-c1nn[n-]n1 ZINC000737575405 575994626 /nfs/dbraw/zinc/99/46/26/575994626.db2.gz JKGDVESKHPTATO-UHFFFAOYSA-N -1 1 296.787 1.858 20 0 CDADMM CCC(=O)c1ccc(OS(=O)(=O)c2c[n-]cn2)c(F)c1 ZINC000765222492 575999585 /nfs/dbraw/zinc/99/95/85/575999585.db2.gz SVNIELDUZAKSLA-UHFFFAOYSA-N -1 1 298.295 1.909 20 0 CDADMM Cn1[n-]c(COC(=O)CCc2cccc(Cl)c2)nc1=O ZINC000765433220 576021866 /nfs/dbraw/zinc/02/18/66/576021866.db2.gz JXHIUSVLNJAIIH-UHFFFAOYSA-N -1 1 295.726 1.438 20 0 CDADMM C[C@H]1CCC[C@@H](CC(=O)OCc2nc(=O)n(C)[n-]2)C1 ZINC000765461126 576026084 /nfs/dbraw/zinc/02/60/84/576026084.db2.gz JVFPJEORCRLSQJ-VHSXEESVSA-N -1 1 267.329 1.368 20 0 CDADMM C[C@H](C(=O)OCc1nc(=O)n(C)[n-]1)c1ccccc1F ZINC000765473148 576027575 /nfs/dbraw/zinc/02/75/75/576027575.db2.gz JCJGQZCSVGXSHO-QMMMGPOBSA-N -1 1 279.271 1.094 20 0 CDADMM Cc1noc(Cl)c1CC(=O)[N-]OCC(F)(F)F ZINC000766774239 576134180 /nfs/dbraw/zinc/13/41/80/576134180.db2.gz NTUCWUHEKYSWHQ-UHFFFAOYSA-N -1 1 272.610 1.789 20 0 CDADMM CCc1cc(C(=O)N(CCC(=O)[O-])C2CC2)n[nH]1 ZINC000766913341 576145723 /nfs/dbraw/zinc/14/57/23/576145723.db2.gz JWDSVSFQXMSBON-UHFFFAOYSA-N -1 1 251.286 1.051 20 0 CDADMM CCN(CC)C(=O)CNC(=O)c1ccc([O-])c(F)c1 ZINC000767322598 576179089 /nfs/dbraw/zinc/17/90/89/576179089.db2.gz MLMOZQKCUORJIK-UHFFFAOYSA-N -1 1 268.288 1.130 20 0 CDADMM O=C([O-])c1cn(CN2CCC[C@@]3(CC=CCC3)C2)nn1 ZINC000740255020 576451526 /nfs/dbraw/zinc/45/15/26/576451526.db2.gz SDRFLJNLNJOIOL-AWEZNQCLSA-N -1 1 276.340 1.756 20 0 CDADMM Cc1nonc1C[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000742325544 576595100 /nfs/dbraw/zinc/59/51/00/576595100.db2.gz GLDKOOVGPDTNKU-UHFFFAOYSA-N -1 1 289.263 1.135 20 0 CDADMM Cc1nonc1CNC(=O)c1c([O-])cccc1Cl ZINC000743417586 576639103 /nfs/dbraw/zinc/63/91/03/576639103.db2.gz JLMIMGTWRXDQOD-UHFFFAOYSA-N -1 1 267.672 1.667 20 0 CDADMM CO[C@H](C)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744833889 576700469 /nfs/dbraw/zinc/70/04/69/576700469.db2.gz CPDGIOGNHIGXPK-SNVBAGLBSA-N -1 1 266.293 1.715 20 0 CDADMM COC[C@H]([N-]S(=O)(=O)c1c[nH]nc1C)c1ccc(C)o1 ZINC000747283267 576865399 /nfs/dbraw/zinc/86/53/99/576865399.db2.gz FSJYTRNGFYZKFW-JTQLQIEISA-N -1 1 299.352 1.286 20 0 CDADMM CO[C@H](C)CCNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000747378396 576867572 /nfs/dbraw/zinc/86/75/72/576867572.db2.gz JGJQJTFGSVLMQV-SECBINFHSA-N -1 1 281.356 1.769 20 0 CDADMM C[C@H](CC(=O)N[C@H](c1nn[n-]n1)c1ccccc1)C1CC1 ZINC000747474726 576872042 /nfs/dbraw/zinc/87/20/42/576872042.db2.gz YERPBRFBONAGGY-YGRLFVJLSA-N -1 1 285.351 1.842 20 0 CDADMM C[N-]S(=O)(=O)c1cc(C(=O)OCC2CCC2)co1 ZINC000756405937 576989172 /nfs/dbraw/zinc/98/91/72/576989172.db2.gz SHZIGAKPWWOTQW-UHFFFAOYSA-N -1 1 273.310 1.145 20 0 CDADMM O=S(=O)([N-][C@@H](CCO)C1CC1)c1cc2ccccc2o1 ZINC000751443743 577041702 /nfs/dbraw/zinc/04/17/02/577041702.db2.gz WBSONNDIHSOLTK-LBPRGKRZSA-N -1 1 295.360 1.872 20 0 CDADMM CO[C@H]1CCN(Cn2[n-]c(-c3ccccn3)nc2=S)C1 ZINC000751946486 577076754 /nfs/dbraw/zinc/07/67/54/577076754.db2.gz VXDZMPFSSIDMOM-JTQLQIEISA-N -1 1 291.380 1.681 20 0 CDADMM CO[C@@H]1CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000752821085 577130065 /nfs/dbraw/zinc/13/00/65/577130065.db2.gz SDSDWZKKKKCBMR-MRVPVSSYSA-N -1 1 255.701 1.907 20 0 CDADMM O=C([O-])CN1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC001602063034 1175124165 /nfs/dbraw/zinc/12/41/65/1175124165.db2.gz QFFLOEJNKFULHR-CQSZACIVSA-N -1 1 257.293 1.442 20 0 CDADMM CCCN(C)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000095171255 598962700 /nfs/dbraw/zinc/96/27/00/598962700.db2.gz SCRTVSVCEOUKEU-UHFFFAOYSA-N -1 1 269.312 1.656 20 0 CDADMM CCCN(C)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000095171255 598962702 /nfs/dbraw/zinc/96/27/02/598962702.db2.gz SCRTVSVCEOUKEU-UHFFFAOYSA-N -1 1 269.312 1.656 20 0 CDADMM CCCc1noc(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000111254153 601501951 /nfs/dbraw/zinc/50/19/51/601501951.db2.gz YAYXNQNVFJEDLV-RKDXNWHRSA-N -1 1 253.302 1.175 20 0 CDADMM CNC(=O)[C@@H]1CCCN1Cc1cc(C(=O)[O-])sc1C ZINC000155969251 601620561 /nfs/dbraw/zinc/62/05/61/601620561.db2.gz GOWKMCNDKQDVOK-JTQLQIEISA-N -1 1 282.365 1.465 20 0 CDADMM C[C@@H](O)[C@H](C)Sc1cccc(F)c1-c1nn[n-]n1 ZINC000095137111 599098876 /nfs/dbraw/zinc/09/88/76/599098876.db2.gz PJOTZXYNOLWBGY-RQJHMYQMSA-N -1 1 268.317 1.867 20 0 CDADMM CN(CCC(=O)[O-])CC(=O)N(C)Cc1cccs1 ZINC000037932839 596995474 /nfs/dbraw/zinc/99/54/74/596995474.db2.gz HGNCBQNZLYRYOW-UHFFFAOYSA-N -1 1 270.354 1.113 20 0 CDADMM Cc1cccc(Cl)c1NC(=O)CN(C)CCC(=O)[O-] ZINC000821111863 597413614 /nfs/dbraw/zinc/41/36/14/597413614.db2.gz ACYYLJOKYGWPHK-UHFFFAOYSA-N -1 1 284.743 1.993 20 0 CDADMM Cc1cccn2cc(CN3CC[C@@H](C(=O)[O-])C3)nc12 ZINC000062134241 597527341 /nfs/dbraw/zinc/52/73/41/597527341.db2.gz YDCIPOUJCMZGNY-LLVKDONJSA-N -1 1 259.309 1.549 20 0 CDADMM C[C@H](C(=O)NCc1cccs1)N1CC[C@H](C(=O)[O-])C1 ZINC000817738100 597531015 /nfs/dbraw/zinc/53/10/15/597531015.db2.gz NOFDLEFQVGOECA-ZJUUUORDSA-N -1 1 282.365 1.159 20 0 CDADMM Cc1ccc(-c2nnc(CN3CC[C@@H](C(=O)[O-])C3)o2)cc1 ZINC000062133749 597531469 /nfs/dbraw/zinc/53/14/69/597531469.db2.gz KFGBOYWBHYRUEU-GFCCVEGCSA-N -1 1 287.319 1.952 20 0 CDADMM CSCC[C@H](C)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000821961960 607327259 /nfs/dbraw/zinc/32/72/59/607327259.db2.gz MOLYXCVSFQMVOY-VIFPVBQESA-N -1 1 278.385 1.840 20 0 CDADMM CSCC[C@H](C)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000821961960 607327260 /nfs/dbraw/zinc/32/72/60/607327260.db2.gz MOLYXCVSFQMVOY-VIFPVBQESA-N -1 1 278.385 1.840 20 0 CDADMM CC[C@H](C)[C@H](NCC(=O)Nc1ccc(O)cc1)C(=O)[O-] ZINC000820465590 598187790 /nfs/dbraw/zinc/18/77/90/598187790.db2.gz MLBSPCKASFDRJA-ZANVPECISA-N -1 1 280.324 1.420 20 0 CDADMM Cc1cc(C)cc(NC(=O)CN[C@@H](C(=O)[O-])C(C)C)c1 ZINC000820968007 598189864 /nfs/dbraw/zinc/18/98/64/598189864.db2.gz DERDMPYYJSTQGG-CQSZACIVSA-N -1 1 278.352 1.941 20 0 CDADMM O=C([O-])c1cccc(CNCC(=O)NCC2CC2)c1 ZINC000393205622 598205261 /nfs/dbraw/zinc/20/52/61/598205261.db2.gz DVYHHXYVIKLPOD-UHFFFAOYSA-N -1 1 262.309 1.001 20 0 CDADMM CN(Cc1ccsc1)c1nccnc1-c1nnn[n-]1 ZINC000095294908 598338453 /nfs/dbraw/zinc/33/84/53/598338453.db2.gz KFBXQXRHZNBTFJ-UHFFFAOYSA-N -1 1 273.325 1.355 20 0 CDADMM CN(Cc1ccsc1)c1nccnc1-c1nn[n-]n1 ZINC000095294908 598338456 /nfs/dbraw/zinc/33/84/56/598338456.db2.gz KFBXQXRHZNBTFJ-UHFFFAOYSA-N -1 1 273.325 1.355 20 0 CDADMM C[C@H]1OCC[C@@H]1SCc1ccnc(-c2nnn[n-]2)c1 ZINC000825019606 607845424 /nfs/dbraw/zinc/84/54/24/607845424.db2.gz FVZFIDSIVWKLCH-KCJUWKMLSA-N -1 1 277.353 1.672 20 0 CDADMM C[C@H]1OCC[C@@H]1SCc1ccnc(-c2nn[n-]n2)c1 ZINC000825019606 607845425 /nfs/dbraw/zinc/84/54/25/607845425.db2.gz FVZFIDSIVWKLCH-KCJUWKMLSA-N -1 1 277.353 1.672 20 0 CDADMM Cc1nc(CNCc2ccc(-c3nnn[n-]3)o2)sc1C ZINC000822444424 599397281 /nfs/dbraw/zinc/39/72/81/599397281.db2.gz QJCQJEOUAZXUGY-UHFFFAOYSA-N -1 1 290.352 1.823 20 0 CDADMM Cc1nc(CNCc2ccc(-c3nn[n-]n3)o2)sc1C ZINC000822444424 599397284 /nfs/dbraw/zinc/39/72/84/599397284.db2.gz QJCQJEOUAZXUGY-UHFFFAOYSA-N -1 1 290.352 1.823 20 0 CDADMM CC1CCC(N(C)C(=O)CNC(C)(C)C(=O)[O-])CC1 ZINC000087625010 599924245 /nfs/dbraw/zinc/92/42/45/599924245.db2.gz QLSNSKVABKKDFN-UHFFFAOYSA-N -1 1 270.373 1.476 20 0 CDADMM Cc1nn(C)c(Cl)c1CN(C)C[C@H](C)C(=O)[O-] ZINC000042704573 600039050 /nfs/dbraw/zinc/03/90/50/600039050.db2.gz RDADDSQWPLRHOX-ZETCQYMHSA-N -1 1 259.737 1.534 20 0 CDADMM CCC[C@@](C)(NCC(=O)NC1CCCCC1)C(=O)[O-] ZINC000036808447 600156183 /nfs/dbraw/zinc/15/61/83/600156183.db2.gz TVIVUZZEKLPTIL-CQSZACIVSA-N -1 1 270.373 1.668 20 0 CDADMM C[C@@H](CN1CCNC(=O)[C@H]1CC(=O)[O-])c1ccccc1 ZINC000251117149 600260781 /nfs/dbraw/zinc/26/07/81/600260781.db2.gz QGHAUSZQMXOTJH-WCQYABFASA-N -1 1 276.336 1.065 20 0 CDADMM CC(C)CNC(=O)[C@@H](C)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405426311 600297868 /nfs/dbraw/zinc/29/78/68/600297868.db2.gz HMFOFUSTNBXANS-VXGBXAGGSA-N -1 1 282.384 1.334 20 0 CDADMM CC[C@](C)(NCC(=O)N[C@@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000251279070 600560049 /nfs/dbraw/zinc/56/00/49/600560049.db2.gz NWTNIXYHFIOLBA-GYSYKLTISA-N -1 1 270.373 1.524 20 0 CDADMM O=C([O-])[C@H](c1ccccc1F)N1CCN(CC2CC2)CC1 ZINC000833174972 600990411 /nfs/dbraw/zinc/99/04/11/600990411.db2.gz ZZVNUNRSZSOGNB-HNNXBMFYSA-N -1 1 292.354 1.979 20 0 CDADMM C/C(=C/CN1CCNC(=O)C[C@H]1c1ccccc1)C(=O)[O-] ZINC000825747656 601159143 /nfs/dbraw/zinc/15/91/43/601159143.db2.gz WLEXSKBTCZBYAD-VDBIKXPHSA-N -1 1 288.347 1.581 20 0 CDADMM C[C@H](CN(CN1CC2(CCCC2)CC1=O)C1CC1)C(=O)[O-] ZINC000827449525 601299632 /nfs/dbraw/zinc/29/96/32/601299632.db2.gz MGVKMLWMKNXOPR-GFCCVEGCSA-N -1 1 294.395 1.922 20 0 CDADMM C[C@@H](C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)N(C)C ZINC000832803126 601447939 /nfs/dbraw/zinc/44/79/39/601447939.db2.gz HRXXWLSULAEUMQ-ZETCQYMHSA-N -1 1 270.716 1.927 20 0 CDADMM CCCCOC(=O)[C@H](C)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000829401823 601525864 /nfs/dbraw/zinc/52/58/64/601525864.db2.gz MEABCMZNZDQYQD-VWYCJHECSA-N -1 1 257.330 1.371 20 0 CDADMM C[C@H]1CN(CC(=O)NCc2cccs2)C[C@H]1C(=O)[O-] ZINC000251612200 601526516 /nfs/dbraw/zinc/52/65/16/601526516.db2.gz DNIUDEGGXJNQQF-GXSJLCMTSA-N -1 1 282.365 1.017 20 0 CDADMM C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cn2)C[C@@H]1C(=O)[O-] ZINC000828441849 601528926 /nfs/dbraw/zinc/52/89/26/601528926.db2.gz UJJOKVVRTOHENB-SCZZXKLOSA-N -1 1 297.742 1.326 20 0 CDADMM CC(C)CCc1noc(CN2C[C@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000826865296 601536769 /nfs/dbraw/zinc/53/67/69/601536769.db2.gz LLABPWVHXWFISK-WDEREUQCSA-N -1 1 281.356 1.811 20 0 CDADMM O=C([O-])C[C@H]1CN(CCCCCn2cccn2)CCO1 ZINC000833220025 601572736 /nfs/dbraw/zinc/57/27/36/601572736.db2.gz PIWVMYVWWZHOON-ZDUSSCGKSA-N -1 1 281.356 1.229 20 0 CDADMM C[C@H](C(=O)N[C@H](C(=O)[O-])C1CC1)N(C)Cc1ccccc1 ZINC000825991160 601595816 /nfs/dbraw/zinc/59/58/16/601595816.db2.gz XDNFHAKHRJGTDG-RISCZKNCSA-N -1 1 290.363 1.486 20 0 CDADMM Cc1cc(NC(=O)NCc2c[nH]nn2)ccc1C(=O)[O-] ZINC000398395326 601623348 /nfs/dbraw/zinc/62/33/48/601623348.db2.gz KTVOUXXZXJJCOI-UHFFFAOYSA-N -1 1 275.268 1.133 20 0 CDADMM CN(C)C(=O)[C@H]1CCCN1Cc1ccsc1C(=O)[O-] ZINC000830542737 601805727 /nfs/dbraw/zinc/80/57/27/601805727.db2.gz LOLPAGDOZGQXEU-SNVBAGLBSA-N -1 1 282.365 1.499 20 0 CDADMM CC[C@H]1CC(=O)N(CN2CCC(CCC(=O)[O-])CC2)C1 ZINC000829075118 601811697 /nfs/dbraw/zinc/81/16/97/601811697.db2.gz MVJOCRQCINIOLD-LBPRGKRZSA-N -1 1 282.384 1.779 20 0 CDADMM O=C([O-])c1ccc(CN2CCSC[C@H]2CCO)s1 ZINC000689328176 601875160 /nfs/dbraw/zinc/87/51/60/601875160.db2.gz QVWYLRAPUIMOSK-SECBINFHSA-N -1 1 287.406 1.746 20 0 CDADMM CN(Cc1ccc(C(=O)[O-])s1)[C@@H]1CCCCNC1=O ZINC000830819444 601950025 /nfs/dbraw/zinc/95/00/25/601950025.db2.gz MRCZYTCVPMHWHL-SNVBAGLBSA-N -1 1 282.365 1.547 20 0 CDADMM Cc1ccc(OC(=O)CCc2nc[nH]n2)c(C(=O)[O-])c1 ZINC000832953077 601975421 /nfs/dbraw/zinc/97/54/21/601975421.db2.gz KRICLIXNYFPWPZ-UHFFFAOYSA-N -1 1 275.264 1.350 20 0 CDADMM CC[C@@](C)(NC(=O)[C@@H]1CCCc2[nH]ncc21)C(=O)[O-] ZINC000828685187 602025548 /nfs/dbraw/zinc/02/55/48/602025548.db2.gz HDSFKFKHVXWJOP-AMIZOPFISA-N -1 1 265.313 1.199 20 0 CDADMM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000062912812 602051224 /nfs/dbraw/zinc/05/12/24/602051224.db2.gz FSFWGFAWYRJBTG-CYBMUJFWSA-N -1 1 283.711 1.982 20 0 CDADMM C[C@@H](O)[C@H](C)SCc1ccnc(-c2nnn[n-]2)c1 ZINC000824678203 607550172 /nfs/dbraw/zinc/55/01/72/607550172.db2.gz LYJWYKDUHBUWJR-SFYZADRCSA-N -1 1 265.342 1.264 20 0 CDADMM C[C@@H](O)[C@H](C)SCc1ccnc(-c2nn[n-]n2)c1 ZINC000824678203 607550174 /nfs/dbraw/zinc/55/01/74/607550174.db2.gz LYJWYKDUHBUWJR-SFYZADRCSA-N -1 1 265.342 1.264 20 0 CDADMM CCC(=CC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1)CC ZINC000828549760 602315058 /nfs/dbraw/zinc/31/50/58/602315058.db2.gz PPCKVPITOCKOFZ-LBPRGKRZSA-N -1 1 282.384 1.740 20 0 CDADMM O=C([O-])[C@@H]1Cc2ccccc2CN1Cc1cncnc1 ZINC000394101392 604465293 /nfs/dbraw/zinc/46/52/93/604465293.db2.gz FBEKEWNPHUPQMD-AWEZNQCLSA-N -1 1 269.304 1.488 20 0 CDADMM C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1cccc(C(=O)[O-])c1 ZINC000820245346 604580048 /nfs/dbraw/zinc/58/00/48/604580048.db2.gz MQSRXKJCMMTMSX-PHIMTYICSA-N -1 1 276.336 1.549 20 0 CDADMM C[C@]1(C(=O)[O-])CCN(Cc2cn3cccc(F)c3n2)C1 ZINC000833555047 604674968 /nfs/dbraw/zinc/67/49/68/604674968.db2.gz OYNDLBVHBPLKHB-AWEZNQCLSA-N -1 1 277.299 1.770 20 0 CDADMM O=C([O-])CCCN(Cc1ccccc1)CN1CCCC1=O ZINC000833226971 604766523 /nfs/dbraw/zinc/76/65/23/604766523.db2.gz ZAUKCRWJXHFWHN-UHFFFAOYSA-N -1 1 290.363 1.933 20 0 CDADMM O=C([O-])CCCN1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000821523923 604786432 /nfs/dbraw/zinc/78/64/32/604786432.db2.gz MJNXRNVSMCWOCG-GWCFXTLKSA-N -1 1 285.290 1.937 20 0 CDADMM C[C@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)n1cccn1 ZINC000833411221 604865875 /nfs/dbraw/zinc/86/58/75/604865875.db2.gz NTMZBMVSYGSDEP-MRVPVSSYSA-N -1 1 299.290 1.657 20 0 CDADMM CC(C)N(CCC(=O)[O-])C(=O)c1cccc2[nH]cnc21 ZINC000833496830 604866992 /nfs/dbraw/zinc/86/69/92/604866992.db2.gz HGJYGNHZTQZMRZ-UHFFFAOYSA-N -1 1 275.308 1.888 20 0 CDADMM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@@H]2CCOC2=O)C1 ZINC000833416611 604942451 /nfs/dbraw/zinc/94/24/51/604942451.db2.gz BJZVAOSYSFUQFB-NXEZZACHSA-N -1 1 255.314 1.125 20 0 CDADMM CC(C)[C@@H](C)NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833469313 605043787 /nfs/dbraw/zinc/04/37/87/605043787.db2.gz UWBJDLBLFZHHFR-VXGBXAGGSA-N -1 1 285.388 1.221 20 0 CDADMM CC(C)OCC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833504740 605058555 /nfs/dbraw/zinc/05/85/55/605058555.db2.gz SKUGVLLJDSPPLO-UHFFFAOYSA-N -1 1 277.280 1.625 20 0 CDADMM Cc1cc(=O)[n-]c(C[NH2+][C@@]2(C)CCCC[C@H]2C(=O)[O-])n1 ZINC000833746869 605064030 /nfs/dbraw/zinc/06/40/30/605064030.db2.gz KOZGKJJOLORMPD-HZMBPMFUSA-N -1 1 279.340 1.614 20 0 CDADMM C[C@H]1C[C@@H](NC(=O)C2CCC(C(=O)[O-])CC2)C[N@H+]1C1CC1 ZINC000833596483 605090060 /nfs/dbraw/zinc/09/00/60/605090060.db2.gz LJGCYPMFISHJIQ-YWPUVAFDSA-N -1 1 294.395 1.619 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C/c1ccco1 ZINC000833619980 605105418 /nfs/dbraw/zinc/10/54/18/605105418.db2.gz JPACYWJIKOBHHQ-ZYOFXKKJSA-N -1 1 292.335 1.300 20 0 CDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N[C@@H]1CCOC1 ZINC000826523640 607736920 /nfs/dbraw/zinc/73/69/20/607736920.db2.gz SBQIUWLLAANEJJ-MRVPVSSYSA-N -1 1 283.295 1.011 20 0 CDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N[C@@H]1CCOC1 ZINC000826523640 607736921 /nfs/dbraw/zinc/73/69/21/607736921.db2.gz SBQIUWLLAANEJJ-MRVPVSSYSA-N -1 1 283.295 1.011 20 0 CDADMM C[C@@H]1CC[C@@H](C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)C1 ZINC000833601862 605157376 /nfs/dbraw/zinc/15/73/76/605157376.db2.gz NSQRSRQHJMXGIK-FRRDWIJNSA-N -1 1 282.384 1.430 20 0 CDADMM CCCN(C[C@@H]1CCCCO1)CN1C[C@H](C(=O)[O-])CC1=O ZINC000833650890 605173947 /nfs/dbraw/zinc/17/39/47/605173947.db2.gz HGJNJJGZJDXACD-OLZOCXBDSA-N -1 1 298.383 1.158 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C/C(Cl)=C\Cl ZINC000833629798 605188744 /nfs/dbraw/zinc/18/87/44/605188744.db2.gz ZVLUTPBEPMOGME-CMWXKVOJSA-N -1 1 281.183 1.786 20 0 CDADMM CCOC(=O)[C@@H](CC(C)C)N(C)C[C@H](C)C(=O)[O-] ZINC000833656029 605204486 /nfs/dbraw/zinc/20/44/86/605204486.db2.gz GXBJOPGZXOHQSU-WDEREUQCSA-N -1 1 259.346 1.617 20 0 CDADMM C[C@@H]1CN(C(=O)CCC2CCCC2)CCN1CCC(=O)[O-] ZINC000833617533 605250423 /nfs/dbraw/zinc/25/04/23/605250423.db2.gz DODMGXMRZYXYJH-CYBMUJFWSA-N -1 1 296.411 1.964 20 0 CDADMM C[C@@H]1CN(C(=O)c2cccc(F)c2)CCN1CCC(=O)[O-] ZINC000833623330 605256872 /nfs/dbraw/zinc/25/68/72/605256872.db2.gz PAERUPXUUYBYSC-LLVKDONJSA-N -1 1 294.326 1.447 20 0 CDADMM COC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC000821683702 606135838 /nfs/dbraw/zinc/13/58/38/606135838.db2.gz IHWSAIGEWCZWFX-LLVKDONJSA-N -1 1 291.311 1.090 20 0 CDADMM COC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC000821683702 606135840 /nfs/dbraw/zinc/13/58/40/606135840.db2.gz IHWSAIGEWCZWFX-LLVKDONJSA-N -1 1 291.311 1.090 20 0 CDADMM Clc1ccc(NCc2ccon2)nc1-c1nnn[n-]1 ZINC000822578877 606165081 /nfs/dbraw/zinc/16/50/81/606165081.db2.gz SBORVJVIIWLOMI-UHFFFAOYSA-N -1 1 277.675 1.515 20 0 CDADMM Clc1ccc(NCc2ccon2)nc1-c1nn[n-]n1 ZINC000822578877 606165082 /nfs/dbraw/zinc/16/50/82/606165082.db2.gz SBORVJVIIWLOMI-UHFFFAOYSA-N -1 1 277.675 1.515 20 0 CDADMM CC[C@@H](C)CN(CC)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820870045 606300357 /nfs/dbraw/zinc/30/03/57/606300357.db2.gz LPFMLUZZVIUPEA-SNVBAGLBSA-N -1 1 288.355 1.770 20 0 CDADMM CC[C@@H](C)CN(CC)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820870045 606300360 /nfs/dbraw/zinc/30/03/60/606300360.db2.gz LPFMLUZZVIUPEA-SNVBAGLBSA-N -1 1 288.355 1.770 20 0 CDADMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H]1CCOC1 ZINC000820454973 606468018 /nfs/dbraw/zinc/46/80/18/606468018.db2.gz ACDFFHYNFNFWTR-SFYZADRCSA-N -1 1 294.746 1.752 20 0 CDADMM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H]1CCOC1 ZINC000820454973 606468019 /nfs/dbraw/zinc/46/80/19/606468019.db2.gz ACDFFHYNFNFWTR-SFYZADRCSA-N -1 1 294.746 1.752 20 0 CDADMM CC(C)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820098351 606486674 /nfs/dbraw/zinc/48/66/74/606486674.db2.gz XESKTBFNTLKZIG-UHFFFAOYSA-N -1 1 251.315 1.314 20 0 CDADMM CC(C)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820098351 606486675 /nfs/dbraw/zinc/48/66/75/606486675.db2.gz XESKTBFNTLKZIG-UHFFFAOYSA-N -1 1 251.315 1.314 20 0 CDADMM CC(C)OCCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820141959 606517983 /nfs/dbraw/zinc/51/79/83/606517983.db2.gz CXCGONZXMZWNCC-UHFFFAOYSA-N -1 1 295.368 1.473 20 0 CDADMM CC(C)OCCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820141959 606517985 /nfs/dbraw/zinc/51/79/85/606517985.db2.gz CXCGONZXMZWNCC-UHFFFAOYSA-N -1 1 295.368 1.473 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cc(F)cc(F)c1 ZINC000823289907 606532686 /nfs/dbraw/zinc/53/26/86/606532686.db2.gz QJHPCWRFFSYWFR-UHFFFAOYSA-N -1 1 291.221 1.120 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc(F)cc(F)c1 ZINC000823289907 606532688 /nfs/dbraw/zinc/53/26/88/606532688.db2.gz QJHPCWRFFSYWFR-UHFFFAOYSA-N -1 1 291.221 1.120 20 0 CDADMM Cc1noc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1C ZINC000822530617 606599242 /nfs/dbraw/zinc/59/92/42/606599242.db2.gz JRYWNEKDQHNECU-UHFFFAOYSA-N -1 1 290.308 1.785 20 0 CDADMM Cc1noc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1C ZINC000822530617 606599243 /nfs/dbraw/zinc/59/92/43/606599243.db2.gz JRYWNEKDQHNECU-UHFFFAOYSA-N -1 1 290.308 1.785 20 0 CDADMM COc1ccc(C)nc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000821783155 607228864 /nfs/dbraw/zinc/22/88/64/607228864.db2.gz XQLVLNCILQOASE-UHFFFAOYSA-N -1 1 286.295 1.784 20 0 CDADMM CC[C@@H](O)CCCNc1cccc(-c2nnn[n-]2)n1 ZINC000825154358 607899739 /nfs/dbraw/zinc/89/97/39/607899739.db2.gz NWXKXJRCQFQKQK-SECBINFHSA-N -1 1 262.317 1.225 20 0 CDADMM CC[C@@H](O)CCCNc1cccc(-c2nn[n-]n2)n1 ZINC000825154358 607899740 /nfs/dbraw/zinc/89/97/40/607899740.db2.gz NWXKXJRCQFQKQK-SECBINFHSA-N -1 1 262.317 1.225 20 0 CDADMM c1cc(NCc2nc(C3CC3)no2)nc(-c2nnn[n-]2)c1 ZINC000826516904 607897625 /nfs/dbraw/zinc/89/76/25/607897625.db2.gz HJFQQRFCJXNYEZ-UHFFFAOYSA-N -1 1 284.283 1.134 20 0 CDADMM c1cc(NCc2nc(C3CC3)no2)nc(-c2nn[n-]n2)c1 ZINC000826516904 607897626 /nfs/dbraw/zinc/89/76/26/607897626.db2.gz HJFQQRFCJXNYEZ-UHFFFAOYSA-N -1 1 284.283 1.134 20 0 CDADMM C[C@@H](O)[C@@H](C)Sc1cccc(-c2nnn[n-]2)n1 ZINC000824679475 607900584 /nfs/dbraw/zinc/90/05/84/607900584.db2.gz SODHIJZBHGROLU-RNFRBKRXSA-N -1 1 251.315 1.123 20 0 CDADMM C[C@@H](O)[C@@H](C)Sc1cccc(-c2nn[n-]n2)n1 ZINC000824679475 607900585 /nfs/dbraw/zinc/90/05/85/607900585.db2.gz SODHIJZBHGROLU-RNFRBKRXSA-N -1 1 251.315 1.123 20 0 CDADMM CCOC(=O)C[C@@H](C)CNc1cccc(-c2nnn[n-]2)n1 ZINC000825499125 608018056 /nfs/dbraw/zinc/01/80/56/608018056.db2.gz HBOUBYUTPYEHIO-SECBINFHSA-N -1 1 290.327 1.263 20 0 CDADMM CCOC(=O)C[C@@H](C)CNc1cccc(-c2nn[n-]n2)n1 ZINC000825499125 608018057 /nfs/dbraw/zinc/01/80/57/608018057.db2.gz HBOUBYUTPYEHIO-SECBINFHSA-N -1 1 290.327 1.263 20 0 CDADMM C[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)Cc2ccccc21 ZINC000824994858 608389167 /nfs/dbraw/zinc/38/91/67/608389167.db2.gz WDAIZFRRRDAQME-JTQLQIEISA-N -1 1 293.334 1.780 20 0 CDADMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)Cc2ccccc21 ZINC000824994858 608389169 /nfs/dbraw/zinc/38/91/69/608389169.db2.gz WDAIZFRRRDAQME-JTQLQIEISA-N -1 1 293.334 1.780 20 0 CDADMM CC1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000824915897 608391451 /nfs/dbraw/zinc/39/14/51/608391451.db2.gz IUBFJVSWYWHFAM-UHFFFAOYSA-N -1 1 273.344 1.672 20 0 CDADMM CC1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000824915897 608391453 /nfs/dbraw/zinc/39/14/53/608391453.db2.gz IUBFJVSWYWHFAM-UHFFFAOYSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1C[C@@H]1c1ccc(CNc2ccc(-c3nnn[n-]3)nn2)o1 ZINC000824899294 608401647 /nfs/dbraw/zinc/40/16/47/608401647.db2.gz IWEQNFRHKQZMJW-SCZZXKLOSA-N -1 1 297.322 1.985 20 0 CDADMM C[C@@H]1C[C@@H]1c1ccc(CNc2ccc(-c3nn[n-]n3)nn2)o1 ZINC000824899294 608401648 /nfs/dbraw/zinc/40/16/48/608401648.db2.gz IWEQNFRHKQZMJW-SCZZXKLOSA-N -1 1 297.322 1.985 20 0 CDADMM C[C@@H]1CCC[C@@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824929420 608422625 /nfs/dbraw/zinc/42/26/25/608422625.db2.gz XJZMGSLIABUKCO-NXEZZACHSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1CCC[C@@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824929420 608422626 /nfs/dbraw/zinc/42/26/26/608422626.db2.gz XJZMGSLIABUKCO-NXEZZACHSA-N -1 1 273.344 1.672 20 0 CDADMM COCCC1(CNc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC000826155590 608433128 /nfs/dbraw/zinc/43/31/28/608433128.db2.gz VGCXAWJJGIPARQ-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM COCCC1(CNc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC000826155590 608433129 /nfs/dbraw/zinc/43/31/29/608433129.db2.gz VGCXAWJJGIPARQ-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM Cc1ccc2c(c1)[C@@H](Nc1ccc(-c3nnn[n-]3)nn1)CO2 ZINC000826294292 608433270 /nfs/dbraw/zinc/43/32/70/608433270.db2.gz NQRXJWIEVOWTTI-NSHDSACASA-N -1 1 295.306 1.511 20 0 CDADMM Cc1ccc2c(c1)[C@@H](Nc1ccc(-c3nn[n-]n3)nn1)CO2 ZINC000826294292 608433271 /nfs/dbraw/zinc/43/32/71/608433271.db2.gz NQRXJWIEVOWTTI-NSHDSACASA-N -1 1 295.306 1.511 20 0 CDADMM Cc1cccc(C)c1NC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000826296686 608888636 /nfs/dbraw/zinc/88/86/36/608888636.db2.gz FXFHFUHTSRNOOQ-UHFFFAOYSA-N -1 1 297.322 1.319 20 0 CDADMM Cc1cccc(C)c1NC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000826296686 608888638 /nfs/dbraw/zinc/88/86/38/608888638.db2.gz FXFHFUHTSRNOOQ-UHFFFAOYSA-N -1 1 297.322 1.319 20 0 CDADMM Fc1ccc2oc(Cn3ccnc3-c3nnn[n-]3)nc2c1 ZINC000826375827 608890922 /nfs/dbraw/zinc/89/09/22/608890922.db2.gz DBQMCVGMPSTGSQ-UHFFFAOYSA-N -1 1 285.242 1.392 20 0 CDADMM Fc1ccc2oc(Cn3ccnc3-c3nn[n-]n3)nc2c1 ZINC000826375827 608890923 /nfs/dbraw/zinc/89/09/23/608890923.db2.gz DBQMCVGMPSTGSQ-UHFFFAOYSA-N -1 1 285.242 1.392 20 0 CDADMM Cc1cc(C)cc(OCCn2ccnc2-c2nnn[n-]2)c1 ZINC000826265353 608892289 /nfs/dbraw/zinc/89/22/89/608892289.db2.gz VZJQDFXEWYVJMF-UHFFFAOYSA-N -1 1 284.323 1.759 20 0 CDADMM Cc1cc(C)cc(OCCn2ccnc2-c2nn[n-]n2)c1 ZINC000826265353 608892290 /nfs/dbraw/zinc/89/22/90/608892290.db2.gz VZJQDFXEWYVJMF-UHFFFAOYSA-N -1 1 284.323 1.759 20 0 CDADMM Cc1cc(F)ccc1Cn1cccc(-c2nn[n-]n2)c1=O ZINC000826268756 609502472 /nfs/dbraw/zinc/50/24/72/609502472.db2.gz MBNFRRCRQWWJFL-UHFFFAOYSA-N -1 1 285.282 1.524 20 0 CDADMM O=C(N[C@@H]1COC[C@@H]1C1CC1)c1cc(F)ccc1[O-] ZINC000891055868 617357647 /nfs/dbraw/zinc/35/76/47/617357647.db2.gz YBOUYVIXXUHMGO-VXGBXAGGSA-N -1 1 265.284 1.686 20 0 CDADMM COCc1nc(N2CCC[C@H](OC)CC2)cc(=O)[n-]1 ZINC000893127331 617397244 /nfs/dbraw/zinc/39/72/44/617397244.db2.gz NJIYHBQAADIJNU-JTQLQIEISA-N -1 1 267.329 1.334 20 0 CDADMM CC[N@H+](CCO)Cc1ncc(Br)cc1[O-] ZINC000891450226 617410814 /nfs/dbraw/zinc/41/08/14/617410814.db2.gz FHVYWMKHHOWIIB-UHFFFAOYSA-N -1 1 275.146 1.364 20 0 CDADMM CC[C@@H](C)[C@H](O)CNc1cc(=O)[n-]c(COC)n1 ZINC000892502573 617437611 /nfs/dbraw/zinc/43/76/11/617437611.db2.gz TZTSVPKSTOMBOY-RKDXNWHRSA-N -1 1 255.318 1.148 20 0 CDADMM CC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC000946377877 613887954 /nfs/dbraw/zinc/88/79/54/613887954.db2.gz AKSWJOYHUZBITI-NEPJUHHUSA-N -1 1 291.351 1.212 20 0 CDADMM CC[C@@]1(C(=O)Nc2ccc([O-])c(Cl)c2)CCNC1=O ZINC000866868615 617444370 /nfs/dbraw/zinc/44/43/70/617444370.db2.gz MJLSGJLPFYEYQJ-CYBMUJFWSA-N -1 1 282.727 1.900 20 0 CDADMM CC(=O)N[C@H](C)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000945619743 614109499 /nfs/dbraw/zinc/10/94/99/614109499.db2.gz CAONDCPRSNBTDA-PWSUYJOCSA-N -1 1 291.351 1.164 20 0 CDADMM CCC(=O)N[C@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000983374153 614406394 /nfs/dbraw/zinc/40/63/94/614406394.db2.gz JDODIPVDDBFRIO-WDEREUQCSA-N -1 1 291.351 1.354 20 0 CDADMM COC[C@@H](C)[C@@H](C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891613021 617504539 /nfs/dbraw/zinc/50/45/39/617504539.db2.gz DATFWMDPYVUFSS-NXEZZACHSA-N -1 1 293.367 1.918 20 0 CDADMM O=C(C[C@H]1CCCOC1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891617968 617506554 /nfs/dbraw/zinc/50/65/54/617506554.db2.gz MYTGXBGFDZQXLH-SNVBAGLBSA-N -1 1 291.351 1.816 20 0 CDADMM CCC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000946060690 614880513 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Cc1ccc(N2C[C@H]3COC[C@@]3(C)C2)c(-c2nnn[n-]2)n1 ZINC001605865331 1163695402 /nfs/dbraw/zinc/69/54/02/1163695402.db2.gz VUVJQYZGOBXEOB-IINYFYTJSA-N -1 1 286.339 1.043 20 0 CDADMM Cc1ccc(N2C[C@H]3COC[C@@]3(C)C2)c(-c2nn[n-]n2)n1 ZINC001605865331 1163695415 /nfs/dbraw/zinc/69/54/15/1163695415.db2.gz VUVJQYZGOBXEOB-IINYFYTJSA-N -1 1 286.339 1.043 20 0 CDADMM Cc1ccc(N2CCOC3(CCC3)C2)c(-c2nnn[n-]2)n1 ZINC001605867545 1163697950 /nfs/dbraw/zinc/69/79/50/1163697950.db2.gz PKANFGLHMRSJCO-UHFFFAOYSA-N -1 1 286.339 1.329 20 0 CDADMM Cc1ccc(N2CCOC3(CCC3)C2)c(-c2nn[n-]n2)n1 ZINC001605867545 1163697954 /nfs/dbraw/zinc/69/79/54/1163697954.db2.gz PKANFGLHMRSJCO-UHFFFAOYSA-N -1 1 286.339 1.329 20 0 CDADMM Cc1ccc(N[C@H]2CC23CCOCC3)nc1-c1nnn[n-]1 ZINC001605871546 1163699601 /nfs/dbraw/zinc/69/96/01/1163699601.db2.gz GKOPSNMESZIOJW-JTQLQIEISA-N -1 1 286.339 1.551 20 0 CDADMM Cc1ccc(N[C@H]2CC23CCOCC3)nc1-c1nn[n-]n1 ZINC001605871546 1163699605 /nfs/dbraw/zinc/69/96/05/1163699605.db2.gz GKOPSNMESZIOJW-JTQLQIEISA-N -1 1 286.339 1.551 20 0 CDADMM Cc1ccc(NCCOc2cccnc2)nc1-c1nn[n-]n1 ZINC001605874263 1163701834 /nfs/dbraw/zinc/70/18/34/1163701834.db2.gz LSLHNIXXOULVSY-UHFFFAOYSA-N -1 1 297.322 1.456 20 0 CDADMM CCc1nc(SCC(=O)c2cc(C(=O)[O-])[nH]c2C)n[nH]1 ZINC001605873979 1163702314 /nfs/dbraw/zinc/70/23/14/1163702314.db2.gz LRDLYCZTHWLFBO-UHFFFAOYSA-N -1 1 294.336 1.677 20 0 CDADMM Cc1ccc([C@@H](O)CNc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001605884286 1163707215 /nfs/dbraw/zinc/70/72/15/1163707215.db2.gz VWXDNFAQJUTLFP-AWEZNQCLSA-N -1 1 296.334 1.138 20 0 CDADMM Cc1ccc([C@@H](O)CNc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001605884286 1163707223 /nfs/dbraw/zinc/70/72/23/1163707223.db2.gz VWXDNFAQJUTLFP-AWEZNQCLSA-N -1 1 296.334 1.138 20 0 CDADMM Cc1cnccc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001605986754 1163737029 /nfs/dbraw/zinc/73/70/29/1163737029.db2.gz SXLDQXNMVGJMAB-UHFFFAOYSA-N -1 1 286.320 1.306 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC1CCCCC1 ZINC001606167853 1163795681 /nfs/dbraw/zinc/79/56/81/1163795681.db2.gz YNWDSBSSRSHUOX-UHFFFAOYSA-N -1 1 275.312 1.831 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC1CCCCC1 ZINC001606167853 1163795690 /nfs/dbraw/zinc/79/56/90/1163795690.db2.gz YNWDSBSSRSHUOX-UHFFFAOYSA-N -1 1 275.312 1.831 20 0 CDADMM FC1(F)CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001606300804 1163844636 /nfs/dbraw/zinc/84/46/36/1163844636.db2.gz XWCCZYWNENGHDP-MRVPVSSYSA-N -1 1 295.297 1.316 20 0 CDADMM COC(=O)[C@@H](CCC(=O)[O-])N1CCC([C@@H]2CCOC2)CC1 ZINC001606330395 1163861721 /nfs/dbraw/zinc/86/17/21/1163861721.db2.gz ISFGITYPFJEYAU-CHWSQXEVSA-N -1 1 299.367 1.141 20 0 CDADMM COC(=O)C1(NC[C@@H]2CCCC[C@@H]2C(=O)[O-])CCCC1 ZINC001606353705 1163875840 /nfs/dbraw/zinc/87/58/40/1163875840.db2.gz DSZTVNLKEIBAHK-RYUDHWBXSA-N -1 1 283.368 1.953 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1cccc(O)c1 ZINC001606596823 1163935648 /nfs/dbraw/zinc/93/56/48/1163935648.db2.gz XLJLMFDVDUWSFN-UHFFFAOYSA-N -1 1 296.290 1.149 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1cccc(O)c1 ZINC001606596823 1163935661 /nfs/dbraw/zinc/93/56/61/1163935661.db2.gz XLJLMFDVDUWSFN-UHFFFAOYSA-N -1 1 296.290 1.149 20 0 CDADMM COC(=O)c1sccc1CN[C@H](CC(F)F)C(=O)[O-] ZINC001606643721 1163944644 /nfs/dbraw/zinc/94/46/44/1163944644.db2.gz FTAZBAPHOCTHJJ-SSDOTTSWSA-N -1 1 293.291 1.733 20 0 CDADMM COCCN(CCOC)Cc1cc(C(=O)[O-])c(C(C)C)[nH]1 ZINC001606890236 1164024818 /nfs/dbraw/zinc/02/48/18/1164024818.db2.gz WLNJWDKCMSURLN-UHFFFAOYSA-N -1 1 298.383 1.931 20 0 CDADMM O=C(OCC1CSC1)c1sccc1-c1nn[n-]n1 ZINC001606967502 1164040927 /nfs/dbraw/zinc/04/09/27/1164040927.db2.gz JZHVUPPSKCESAR-UHFFFAOYSA-N -1 1 282.350 1.448 20 0 CDADMM COCc1noc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)n1 ZINC001606981020 1164047577 /nfs/dbraw/zinc/04/75/77/1164047577.db2.gz HVLBVPQSTFOLBO-OUAUKWLOSA-N -1 1 295.339 1.291 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001606982744 1164049761 /nfs/dbraw/zinc/04/97/61/1164049761.db2.gz VOZWIHAGWVYZRI-UTUOFQBUSA-N -1 1 299.334 1.741 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001606982744 1164049769 /nfs/dbraw/zinc/04/97/69/1164049769.db2.gz VOZWIHAGWVYZRI-UTUOFQBUSA-N -1 1 299.334 1.741 20 0 CDADMM O=C(OCc1nncs1)c1csc(-c2nnn[n-]2)c1 ZINC001606987265 1164052340 /nfs/dbraw/zinc/05/23/40/1164052340.db2.gz GKJLNILPIPDZKU-UHFFFAOYSA-N -1 1 294.321 1.137 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCc2c1cccc2F ZINC001607032771 1164064274 /nfs/dbraw/zinc/06/42/74/1164064274.db2.gz JJWZZIPQPJSWNS-UHFFFAOYSA-N -1 1 299.265 1.802 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCc2c1cccc2F ZINC001607032771 1164064282 /nfs/dbraw/zinc/06/42/82/1164064282.db2.gz JJWZZIPQPJSWNS-UHFFFAOYSA-N -1 1 299.265 1.802 20 0 CDADMM Oc1ccc2c(c1)[C@@H](Nc1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001607110938 1164089207 /nfs/dbraw/zinc/08/92/07/1164089207.db2.gz MRJFZZVTXPBVER-NSHDSACASA-N -1 1 295.306 1.462 20 0 CDADMM Oc1ccc2c(c1)[C@@H](Nc1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001607110938 1164089214 /nfs/dbraw/zinc/08/92/14/1164089214.db2.gz MRJFZZVTXPBVER-NSHDSACASA-N -1 1 295.306 1.462 20 0 CDADMM O[C@@H]1CCC[C@H]1Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001607108537 1164089370 /nfs/dbraw/zinc/08/93/70/1164089370.db2.gz XQPCGHWELZCLNN-BXUZGUMPSA-N -1 1 296.334 1.162 20 0 CDADMM O[C@@H]1CCC[C@H]1Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001607108537 1164089373 /nfs/dbraw/zinc/08/93/73/1164089373.db2.gz XQPCGHWELZCLNN-BXUZGUMPSA-N -1 1 296.334 1.162 20 0 CDADMM c1cc2c(c(NCc3cccc(-c4nnn[n-]4)n3)c1)CCO2 ZINC001607119091 1164102314 /nfs/dbraw/zinc/10/23/14/1164102314.db2.gz KPQKPGGTGFWKQL-UHFFFAOYSA-N -1 1 294.318 1.809 20 0 CDADMM c1cc2c(c(NCc3cccc(-c4nn[n-]n4)n3)c1)CCO2 ZINC001607119091 1164102316 /nfs/dbraw/zinc/10/23/16/1164102316.db2.gz KPQKPGGTGFWKQL-UHFFFAOYSA-N -1 1 294.318 1.809 20 0 CDADMM c1csc([C@H]2CCN(c3ccnc(-c4nnn[n-]4)c3)C2)n1 ZINC001607119636 1164102340 /nfs/dbraw/zinc/10/23/40/1164102340.db2.gz FDDBFWLAOXEHOQ-VIFPVBQESA-N -1 1 299.363 1.712 20 0 CDADMM c1csc([C@H]2CCN(c3ccnc(-c4nn[n-]n4)c3)C2)n1 ZINC001607119636 1164102343 /nfs/dbraw/zinc/10/23/43/1164102343.db2.gz FDDBFWLAOXEHOQ-VIFPVBQESA-N -1 1 299.363 1.712 20 0 CDADMM c1ccc2c(c1)SC[C@H]2Nc1ccnc(-c2nn[n-]n2)n1 ZINC001607132212 1164109751 /nfs/dbraw/zinc/10/97/51/1164109751.db2.gz WVNKPTOUONKSOK-SECBINFHSA-N -1 1 297.347 1.338 20 0 CDADMM Cc1c(C(=O)[O-])cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)n1C ZINC001607511716 1164214862 /nfs/dbraw/zinc/21/48/62/1164214862.db2.gz MHPXTJPXCIKFQS-JOYOIKCWSA-N -1 1 294.351 1.574 20 0 CDADMM Cc1cc(C(=O)Nc2cccc3[nH]nnc32)oc1C(=O)[O-] ZINC001607582723 1164231494 /nfs/dbraw/zinc/23/14/94/1164231494.db2.gz CTLMCSGWWCTSGB-UHFFFAOYSA-N -1 1 286.247 1.810 20 0 CDADMM Cc1cccnc1NC(=O)CN(CCC(=O)[O-])C(C)C ZINC001607890473 1164322807 /nfs/dbraw/zinc/32/28/07/1164322807.db2.gz HRYJHXSEFSJAGV-UHFFFAOYSA-N -1 1 279.340 1.514 20 0 CDADMM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC001608036416 1164389062 /nfs/dbraw/zinc/38/90/62/1164389062.db2.gz SFAQTYKARCVXSM-QMMMGPOBSA-N -1 1 289.291 1.297 20 0 CDADMM Cc1oc(CN(C)C(=O)[C@H]2CCCN2C)cc1C(=O)[O-] ZINC001608044960 1164390711 /nfs/dbraw/zinc/39/07/11/1164390711.db2.gz MJMMORVGXCINQF-GFCCVEGCSA-N -1 1 280.324 1.339 20 0 CDADMM Cn1cnc(CN2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)c1 ZINC001608135662 1164422437 /nfs/dbraw/zinc/42/24/37/1164422437.db2.gz JURQSHJUWMFEOW-OAHLLOKOSA-N -1 1 293.367 1.002 20 0 CDADMM Cn1nncc1C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC001608167405 1164432010 /nfs/dbraw/zinc/43/20/10/1164432010.db2.gz FABMVXAOAZMJJM-AGIUHOORSA-N -1 1 278.356 1.280 20 0 CDADMM Cn1nncc1CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC001608167405 1164432015 /nfs/dbraw/zinc/43/20/15/1164432015.db2.gz FABMVXAOAZMJJM-AGIUHOORSA-N -1 1 278.356 1.280 20 0 CDADMM O=C([O-])c1cn(CC(=O)Nc2c[nH]nn2)c2ccccc12 ZINC001608373474 1164501051 /nfs/dbraw/zinc/50/10/51/1164501051.db2.gz FZYHYARQVVWQRG-UHFFFAOYSA-N -1 1 285.263 1.096 20 0 CDADMM O=C([O-])C[C@]1(NCc2cnc(C3CC3)o2)CCCOC1 ZINC001608688461 1164604963 /nfs/dbraw/zinc/60/49/63/1164604963.db2.gz IKJSQWKTPJQFTI-CQSZACIVSA-N -1 1 280.324 1.666 20 0 CDADMM O=C([O-])C[N@@H+](CCC(F)(F)F)C[C@@H]1CCCCO1 ZINC001608744868 1164626536 /nfs/dbraw/zinc/62/65/36/1164626536.db2.gz DVNYUMMUGVOOJZ-VIFPVBQESA-N -1 1 269.263 1.895 20 0 CDADMM O=C([O-])c1cccc2c1CN([C@@H]1CCCCNC1=O)CC2 ZINC001608942451 1164690174 /nfs/dbraw/zinc/69/01/74/1164690174.db2.gz UHHCZQWUYVZZQB-CQSZACIVSA-N -1 1 288.347 1.412 20 0 CDADMM O=C([O-])c1ccccc1CN1CCO[C@@H]2COCC[C@@H]21 ZINC001608946488 1164691507 /nfs/dbraw/zinc/69/15/07/1164691507.db2.gz MZMYQXUGFQYVQS-UONOGXRCSA-N -1 1 277.320 1.375 20 0 CDADMM CC(C)C1(CNc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001609089430 1164765599 /nfs/dbraw/zinc/76/55/99/1164765599.db2.gz CONNWFZRGXFJBA-UHFFFAOYSA-N -1 1 258.329 1.532 20 0 CDADMM CC(C)C1(CNc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001609089430 1164765604 /nfs/dbraw/zinc/76/56/04/1164765604.db2.gz CONNWFZRGXFJBA-UHFFFAOYSA-N -1 1 258.329 1.532 20 0 CDADMM C[C@@]1(CNc2cccnc2-c2nnn[n-]2)CCCC[C@H]1O ZINC001609149258 1164797822 /nfs/dbraw/zinc/79/78/22/1164797822.db2.gz GDCJMWDIUKGXLQ-RISCZKNCSA-N -1 1 288.355 1.615 20 0 CDADMM C[C@@]1(CNc2cccnc2-c2nn[n-]n2)CCCC[C@H]1O ZINC001609149258 1164797831 /nfs/dbraw/zinc/79/78/31/1164797831.db2.gz GDCJMWDIUKGXLQ-RISCZKNCSA-N -1 1 288.355 1.615 20 0 CDADMM C[C@H]1CC2(CCC2)CN1c1ncncc1-c1nn[n-]n1 ZINC001609159769 1164805266 /nfs/dbraw/zinc/80/52/66/1164805266.db2.gz TYWRJJZLKJSNHE-VIFPVBQESA-N -1 1 271.328 1.426 20 0 CDADMM CC[C@@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)[C@@H](C)O ZINC001609194580 1164836865 /nfs/dbraw/zinc/83/68/65/1164836865.db2.gz HBWQKJSXODUZFA-MWLCHTKSSA-N -1 1 298.350 1.986 20 0 CDADMM CC[C@@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)[C@@H](C)O ZINC001609194580 1164836868 /nfs/dbraw/zinc/83/68/68/1164836868.db2.gz HBWQKJSXODUZFA-MWLCHTKSSA-N -1 1 298.350 1.986 20 0 CDADMM CCc1ncc(CNc2cccc(-c3nnn[n-]3)n2)o1 ZINC001609254934 1164867192 /nfs/dbraw/zinc/86/71/92/1164867192.db2.gz MUPVKGAIXDMTKI-UHFFFAOYSA-N -1 1 271.284 1.424 20 0 CDADMM CCc1ncc(CNc2cccc(-c3nn[n-]n3)n2)o1 ZINC001609254934 1164867196 /nfs/dbraw/zinc/86/71/96/1164867196.db2.gz MUPVKGAIXDMTKI-UHFFFAOYSA-N -1 1 271.284 1.424 20 0 CDADMM CO[C@](C)(CNC(=O)c1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC001609308011 1164887952 /nfs/dbraw/zinc/88/79/52/1164887952.db2.gz ZKCXHXGDMMORTP-CYBMUJFWSA-N -1 1 291.311 1.005 20 0 CDADMM CO[C@](C)(CNC(=O)c1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC001609308011 1164887959 /nfs/dbraw/zinc/88/79/59/1164887959.db2.gz ZKCXHXGDMMORTP-CYBMUJFWSA-N -1 1 291.311 1.005 20 0 CDADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(C)nc2C)c1 ZINC001609386228 1164918444 /nfs/dbraw/zinc/91/84/44/1164918444.db2.gz DUWJQIWAWNOTGC-UHFFFAOYSA-N -1 1 296.334 1.397 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC3(CCC3)C[C@H]2C)n1 ZINC001609391492 1164923559 /nfs/dbraw/zinc/92/35/59/1164923559.db2.gz LDSXWUZXIBVMBA-SNVBAGLBSA-N -1 1 285.355 1.734 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC3(CCC3)C[C@H]2C)n1 ZINC001609391492 1164923564 /nfs/dbraw/zinc/92/35/64/1164923564.db2.gz LDSXWUZXIBVMBA-SNVBAGLBSA-N -1 1 285.355 1.734 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCOC[C@@H]2C)n1 ZINC001609392368 1164925059 /nfs/dbraw/zinc/92/50/59/1164925059.db2.gz NQGFJTHFFYJHHN-WPRPVWTQSA-N -1 1 289.343 1.050 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCOC[C@@H]2C)n1 ZINC001609392368 1164925063 /nfs/dbraw/zinc/92/50/63/1164925063.db2.gz NQGFJTHFFYJHHN-WPRPVWTQSA-N -1 1 289.343 1.050 20 0 CDADMM Cc1cc(NC[C@H](O)c2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001609409585 1164933474 /nfs/dbraw/zinc/93/34/74/1164933474.db2.gz PBCYZHXEDDSHTI-AWEZNQCLSA-N -1 1 296.334 1.716 20 0 CDADMM Cc1cc(NC[C@H](O)c2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001609409585 1164933480 /nfs/dbraw/zinc/93/34/80/1164933480.db2.gz PBCYZHXEDDSHTI-AWEZNQCLSA-N -1 1 296.334 1.716 20 0 CDADMM Cc1cccc2nc(-n3cnc(-c4nn[n-]n4)n3)sc21 ZINC001609434886 1164945723 /nfs/dbraw/zinc/94/57/23/1164945723.db2.gz MFNIDTUESPVVEB-UHFFFAOYSA-N -1 1 284.308 1.366 20 0 CDADMM Cc1nn(C)cc1COc1ccc(F)nc1-c1nn[n-]n1 ZINC001609459720 1164958946 /nfs/dbraw/zinc/95/89/46/1164958946.db2.gz XSIWVLQRLGOLSN-UHFFFAOYSA-N -1 1 289.274 1.022 20 0 CDADMM Cc1nsc(N[C@H]2CCC[C@@H](CO)C2)c1-c1nn[n-]n1 ZINC001609466033 1164961522 /nfs/dbraw/zinc/96/15/22/1164961522.db2.gz ZTYCZVUAPQRZTJ-BDAKNGLRSA-N -1 1 294.384 1.595 20 0 CDADMM Cc1nsc(N2CCO[C@@H](C(C)C)C2)c1-c1nn[n-]n1 ZINC001609465337 1164962357 /nfs/dbraw/zinc/96/23/57/1164962357.db2.gz QPMSWJDEHYTLJZ-SECBINFHSA-N -1 1 294.384 1.493 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCc2ncccc21 ZINC001609466914 1164965032 /nfs/dbraw/zinc/96/50/32/1164965032.db2.gz NVCYSPWLTJAQCE-UHFFFAOYSA-N -1 1 296.290 1.366 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCc2ncccc21 ZINC001609466914 1164965041 /nfs/dbraw/zinc/96/50/41/1164965041.db2.gz NVCYSPWLTJAQCE-UHFFFAOYSA-N -1 1 296.290 1.366 20 0 CDADMM OCCCCCCOc1cccnc1-c1nnn[n-]1 ZINC001609609299 1165004344 /nfs/dbraw/zinc/00/43/44/1165004344.db2.gz FLCGNCLKKIDPLZ-UHFFFAOYSA-N -1 1 263.301 1.193 20 0 CDADMM OCCCCCCOc1cccnc1-c1nn[n-]n1 ZINC001609609299 1165004345 /nfs/dbraw/zinc/00/43/45/1165004345.db2.gz FLCGNCLKKIDPLZ-UHFFFAOYSA-N -1 1 263.301 1.193 20 0 CDADMM c1nc(N2C[C@@H]3CCCC[C@@H]3C2)cnc1-c1nnn[n-]1 ZINC001609620861 1165017947 /nfs/dbraw/zinc/01/79/47/1165017947.db2.gz HFKRZPZUXKCQGS-AOOOYVTPSA-N -1 1 271.328 1.283 20 0 CDADMM c1nc(N2C[C@@H]3CCCC[C@@H]3C2)cnc1-c1nn[n-]n1 ZINC001609620861 1165017952 /nfs/dbraw/zinc/01/79/52/1165017952.db2.gz HFKRZPZUXKCQGS-AOOOYVTPSA-N -1 1 271.328 1.283 20 0 CDADMM C[C@H]1CN(Cc2ccccc2C(=O)[O-])C[C@@]2(CCOC2)O1 ZINC001609871197 1165122289 /nfs/dbraw/zinc/12/22/89/1165122289.db2.gz VFKIVFBFKIZPLL-BLLLJJGKSA-N -1 1 291.347 1.765 20 0 CDADMM CCc1oc(CN[C@@H](C)CN2CCCC2=O)cc1C(=O)[O-] ZINC001610079017 1165207715 /nfs/dbraw/zinc/20/77/15/1165207715.db2.gz QHZBPDCJEUXFHI-JTQLQIEISA-N -1 1 294.351 1.641 20 0 CDADMM Cn1cc(-c2cc(CN[C@@](C)(C(=O)[O-])C3CC3)on2)cn1 ZINC001610600174 1165372161 /nfs/dbraw/zinc/37/21/61/1165372161.db2.gz XGGPJOHEIVHNSP-CQSZACIVSA-N -1 1 290.323 1.418 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(CC(=O)Nc3cccc(Cl)c3)C[C@@H]21 ZINC001610665478 1165401780 /nfs/dbraw/zinc/40/17/80/1165401780.db2.gz GASCYWOKRORWKU-PJXYFTJBSA-N -1 1 294.738 1.541 20 0 CDADMM O=C([O-])[C@H](CF)NC(=O)c1ccc(O)c(Cl)c1 ZINC001610682311 1165405874 /nfs/dbraw/zinc/40/58/74/1165405874.db2.gz VMBOHYONDBIQIU-ZETCQYMHSA-N -1 1 261.636 1.198 20 0 CDADMM O=C([O-])[C@@H]1[C@@H](CN2CCOC3(CCCC3)C2)C1(F)F ZINC001610731379 1165421080 /nfs/dbraw/zinc/42/10/80/1165421080.db2.gz LFZOFBITUFRXNG-ZJUUUORDSA-N -1 1 275.295 1.597 20 0 CDADMM Cc1cocc1C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001617743936 1165606276 /nfs/dbraw/zinc/60/62/76/1165606276.db2.gz PZYVXQOSQYOIIO-UHFFFAOYSA-N -1 1 299.290 1.932 20 0 CDADMM Cn1ccc(CNC(=O)c2ncc3ccccc3c2[O-])n1 ZINC001624457412 1165842572 /nfs/dbraw/zinc/84/25/72/1165842572.db2.gz FNIWNEGCMVYZLW-UHFFFAOYSA-N -1 1 282.303 1.604 20 0 CDADMM COc1cccc2[nH]c(NC(=O)c3cncc([O-])c3)nc21 ZINC001633453893 1166421849 /nfs/dbraw/zinc/42/18/49/1166421849.db2.gz UMEBDGFYIIHSJR-UHFFFAOYSA-N -1 1 284.275 1.924 20 0 CDADMM O=C(Nc1nn[n-]n1)c1nc2ccccc2nc1C1CC1 ZINC001634296285 1166485865 /nfs/dbraw/zinc/48/58/65/1166485865.db2.gz DQZZTUZTWJKKRJ-UHFFFAOYSA-N -1 1 281.279 1.273 20 0 CDADMM O=C(NCc1nc2cccnc2[nH]1)c1cccc([O-])c1F ZINC001634425715 1166499248 /nfs/dbraw/zinc/49/92/48/1166499248.db2.gz RJVYQTGAFAPAFI-UHFFFAOYSA-N -1 1 286.266 1.733 20 0 CDADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccn(C)n1 ZINC001642415142 1167173692 /nfs/dbraw/zinc/17/36/92/1167173692.db2.gz MNHZDHGPLMDPAS-MRVPVSSYSA-N -1 1 263.272 1.756 20 0 CDADMM Cn1[n-]c(CSc2nc3cnccc3s2)nc1=O ZINC001644082790 1167292897 /nfs/dbraw/zinc/29/28/97/1167292897.db2.gz JTQUYULVODCIMS-UHFFFAOYSA-N -1 1 279.350 1.405 20 0 CDADMM Cc1oncc1CNC(=O)c1ccc([O-])c(F)c1 ZINC001645485499 1167406111 /nfs/dbraw/zinc/40/61/11/1167406111.db2.gz JZUQTYJNXKNSDJ-UHFFFAOYSA-N -1 1 250.229 1.758 20 0 CDADMM Cc1nc(C(=O)[O-])ccc1-c1noc(CNCC(C)C)n1 ZINC001645874339 1167546345 /nfs/dbraw/zinc/54/63/45/1167546345.db2.gz WSTVRCIICDJQAK-UHFFFAOYSA-N -1 1 290.323 1.884 20 0 CDADMM CC(C)CO[C@@H]1CCN(Cc2cn(C)nc2C(=O)[O-])C1 ZINC001646226736 1167708464 /nfs/dbraw/zinc/70/84/64/1167708464.db2.gz VIYKXSXRRLRAEK-GFCCVEGCSA-N -1 1 281.356 1.365 20 0 CDADMM O=C(Nc1nn[n-]n1)c1coc(-c2c(F)cccc2F)n1 ZINC001565958017 1168206266 /nfs/dbraw/zinc/20/62/66/1168206266.db2.gz FHUSJYUILUGYJH-UHFFFAOYSA-N -1 1 292.205 1.385 20 0 CDADMM C[C@](O)(C(=O)OCC(=O)c1ccc([O-])cc1O)C1CCC1 ZINC001647198251 1168443056 /nfs/dbraw/zinc/44/30/56/1168443056.db2.gz IHCIGSDAXUFJON-OAHLLOKOSA-N -1 1 294.303 1.375 20 0 CDADMM CN(C(=O)C1(c2ccccc2)CCCC1)c1nn[n-]n1 ZINC001647424573 1168678529 /nfs/dbraw/zinc/67/85/29/1168678529.db2.gz BQDQXVOWSJCALK-UHFFFAOYSA-N -1 1 271.324 1.675 20 0 CDADMM C[C@@H](C(=O)OC(C)(C)C)N(C[C@@H]1C[C@H]1C(=O)[O-])C1CC1 ZINC001573407505 1170659949 /nfs/dbraw/zinc/65/99/49/1170659949.db2.gz LCBZDPRJEIYEQY-JBLDHEPKSA-N -1 1 283.368 1.902 20 0 CDADMM CC[C@H]1CN(C[C@@H](O)c2cccc(F)c2)C[C@]1(F)C(=O)[O-] ZINC001573824819 1170791159 /nfs/dbraw/zinc/79/11/59/1170791159.db2.gz QRSTUHOKPKCYCT-NJZAAPMLSA-N -1 1 299.317 1.994 20 0 CDADMM CCn1cc(C(=O)[O-])c(NC(=O)c2c(O)cccc2F)n1 ZINC001573846841 1170803279 /nfs/dbraw/zinc/80/32/79/1170803279.db2.gz KMANPHIXRPNKSU-UHFFFAOYSA-N -1 1 293.254 1.698 20 0 CDADMM Cc1c(C(=O)[O-])cnn1C1CCN(CC2=NOCC2)CC1 ZINC001574111905 1170884734 /nfs/dbraw/zinc/88/47/34/1170884734.db2.gz CGGQLKDRUHVPNE-UHFFFAOYSA-N -1 1 292.339 1.303 20 0 CDADMM O=C([O-])c1n[nH]c(CN[C@@H]2Cc3ccc(Cl)cc3C2)n1 ZINC001574422516 1170978297 /nfs/dbraw/zinc/97/82/97/1170978297.db2.gz FGLNJNSOBVWSJO-SNVBAGLBSA-N -1 1 292.726 1.413 20 0 CDADMM C[C@@H]1CC=CC[C@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001580311594 1172398968 /nfs/dbraw/zinc/39/89/68/1172398968.db2.gz BQJGYBHSEMEIKP-ZYHUDNBSSA-N -1 1 298.350 1.275 20 0 CDADMM C[C@@H]1CC=CC[C@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001580311594 1172398974 /nfs/dbraw/zinc/39/89/74/1172398974.db2.gz BQJGYBHSEMEIKP-ZYHUDNBSSA-N -1 1 298.350 1.275 20 0 CDADMM C[C@]12CN(c3nccnc3-c3nnn[n-]3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001580460722 1172443211 /nfs/dbraw/zinc/44/32/11/1172443211.db2.gz JZLGGXUCYMXYDQ-BQVMBELUSA-N -1 1 295.350 1.305 20 0 CDADMM C[C@]12CN(c3nccnc3-c3nn[n-]n3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001580460722 1172443216 /nfs/dbraw/zinc/44/32/16/1172443216.db2.gz JZLGGXUCYMXYDQ-BQVMBELUSA-N -1 1 295.350 1.305 20 0 CDADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1NCCc2occc21 ZINC001580793565 1172541970 /nfs/dbraw/zinc/54/19/70/1172541970.db2.gz NIFQMZYYHMPBJF-LLVKDONJSA-N -1 1 293.710 1.859 20 0 CDADMM Cc1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)cnc1C ZINC001580985620 1172576934 /nfs/dbraw/zinc/57/69/34/1172576934.db2.gz OXWUMXOIDQEORQ-UHFFFAOYSA-N -1 1 284.279 1.724 20 0 CDADMM Cc1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)cnc1C ZINC001580985620 1172576940 /nfs/dbraw/zinc/57/69/40/1172576940.db2.gz OXWUMXOIDQEORQ-UHFFFAOYSA-N -1 1 284.279 1.724 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N(C)Cc2ccc(O)cc2)n1 ZINC001581411136 1172608508 /nfs/dbraw/zinc/60/85/08/1172608508.db2.gz MPHWJMHHYMMCBJ-UHFFFAOYSA-N -1 1 297.322 1.307 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N(C)Cc2ccc(O)cc2)n1 ZINC001581411136 1172608512 /nfs/dbraw/zinc/60/85/12/1172608512.db2.gz MPHWJMHHYMMCBJ-UHFFFAOYSA-N -1 1 297.322 1.307 20 0 CDADMM O=C(C[C@@H]1C[C@H]1C1CC1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001582134616 1172654743 /nfs/dbraw/zinc/65/47/43/1172654743.db2.gz VYWIZUFIOBPPEW-QWRGUYRKSA-N -1 1 299.334 1.947 20 0 CDADMM CN(C(=O)CCc1cncc2ccccc21)c1nn[n-]n1 ZINC001587339736 1172982257 /nfs/dbraw/zinc/98/22/57/1172982257.db2.gz PFMHPLRZOHQNOG-UHFFFAOYSA-N -1 1 282.307 1.344 20 0 CDADMM C[C@@H](C(=O)OCc1cccnc1-c1nnn[n-]1)C1CCC1 ZINC001589031330 1173119363 /nfs/dbraw/zinc/11/93/63/1173119363.db2.gz ZUUKJRPAXPZOGH-SECBINFHSA-N -1 1 287.323 1.741 20 0 CDADMM C[C@@H](C(=O)OCc1cccnc1-c1nn[n-]n1)C1CCC1 ZINC001589031330 1173119367 /nfs/dbraw/zinc/11/93/67/1173119367.db2.gz ZUUKJRPAXPZOGH-SECBINFHSA-N -1 1 287.323 1.741 20 0 CDADMM CC(C)(CNC(=O)c1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001589286850 1173134300 /nfs/dbraw/zinc/13/43/00/1173134300.db2.gz SAGPLLQKHQCLCR-UHFFFAOYSA-N -1 1 286.339 1.428 20 0 CDADMM CC(C)(CNC(=O)c1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001589286850 1173134303 /nfs/dbraw/zinc/13/43/03/1173134303.db2.gz SAGPLLQKHQCLCR-UHFFFAOYSA-N -1 1 286.339 1.428 20 0 CDADMM CC(C)(CNc1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001589293217 1173134904 /nfs/dbraw/zinc/13/49/04/1173134904.db2.gz RJPDTILDCNNWIO-UHFFFAOYSA-N -1 1 296.338 1.441 20 0 CDADMM CC(C)(CNc1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001589293217 1173134913 /nfs/dbraw/zinc/13/49/13/1173134913.db2.gz RJPDTILDCNNWIO-UHFFFAOYSA-N -1 1 296.338 1.441 20 0 CDADMM C[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccc[nH]1 ZINC001589926631 1173206273 /nfs/dbraw/zinc/20/62/73/1173206273.db2.gz VMSXALHLPAKTTE-VIFPVBQESA-N -1 1 297.322 1.010 20 0 CDADMM C[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccc[nH]1 ZINC001589926631 1173206278 /nfs/dbraw/zinc/20/62/78/1173206278.db2.gz VMSXALHLPAKTTE-VIFPVBQESA-N -1 1 297.322 1.010 20 0 CDADMM C[C@@H](O)C[C@H]1CCCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001589995442 1173228238 /nfs/dbraw/zinc/22/82/38/1173228238.db2.gz DUOHZSMMPFTUSZ-GHMZBOCLSA-N -1 1 288.355 1.392 20 0 CDADMM C[C@@H](O)C[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001589995442 1173228247 /nfs/dbraw/zinc/22/82/47/1173228247.db2.gz DUOHZSMMPFTUSZ-GHMZBOCLSA-N -1 1 288.355 1.392 20 0 CDADMM CC1(C)C[C@H](CNc2ncncc2-c2nn[n-]n2)CCO1 ZINC001590080338 1173249945 /nfs/dbraw/zinc/24/99/45/1173249945.db2.gz MCXLZJHRHWSHAB-SECBINFHSA-N -1 1 289.343 1.274 20 0 CDADMM CC1(C)CCC[C@@H]1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001590096525 1173256300 /nfs/dbraw/zinc/25/63/00/1173256300.db2.gz PPBQHUQOVUPMNH-SECBINFHSA-N -1 1 273.344 1.895 20 0 CDADMM CC1(C)CCC[C@@H]1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001590096525 1173256306 /nfs/dbraw/zinc/25/63/06/1173256306.db2.gz PPBQHUQOVUPMNH-SECBINFHSA-N -1 1 273.344 1.895 20 0 CDADMM CC1(C)CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590101040 1173256658 /nfs/dbraw/zinc/25/66/58/1173256658.db2.gz UIEUMSNZTFWVET-UHFFFAOYSA-N -1 1 286.339 1.524 20 0 CDADMM CC1(C)CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590101040 1173256661 /nfs/dbraw/zinc/25/66/61/1173256661.db2.gz UIEUMSNZTFWVET-UHFFFAOYSA-N -1 1 286.339 1.524 20 0 CDADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1C1CC1 ZINC001590108560 1173260930 /nfs/dbraw/zinc/26/09/30/1173260930.db2.gz XQYBDSMIMVTWHL-JTQLQIEISA-N -1 1 271.328 1.282 20 0 CDADMM C[C@@]1(CCNC(=O)c2coc(-c3nnn[n-]3)c2)CC1(F)F ZINC001590126743 1173263967 /nfs/dbraw/zinc/26/39/67/1173263967.db2.gz HXEOBSHYJQTJIE-LLVKDONJSA-N -1 1 297.265 1.625 20 0 CDADMM C[C@@]1(CCNC(=O)c2coc(-c3nn[n-]n3)c2)CC1(F)F ZINC001590126743 1173263976 /nfs/dbraw/zinc/26/39/76/1173263976.db2.gz HXEOBSHYJQTJIE-LLVKDONJSA-N -1 1 297.265 1.625 20 0 CDADMM CC1(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)CC1 ZINC001590133565 1173267368 /nfs/dbraw/zinc/26/73/68/1173267368.db2.gz DHOOVHPQOXKRTG-UHFFFAOYSA-N -1 1 259.317 1.679 20 0 CDADMM CC1(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)CC1 ZINC001590133565 1173267372 /nfs/dbraw/zinc/26/73/72/1173267372.db2.gz DHOOVHPQOXKRTG-UHFFFAOYSA-N -1 1 259.317 1.679 20 0 CDADMM CC1=C(C)CN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001590158027 1173275628 /nfs/dbraw/zinc/27/56/28/1173275628.db2.gz SZEMPLSLVHFKAR-UHFFFAOYSA-N -1 1 256.313 1.808 20 0 CDADMM C[C@@H]1[C@H](C(F)(F)F)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001590167312 1173280273 /nfs/dbraw/zinc/28/02/73/1173280273.db2.gz MENYKVBITIQQSS-RNFRBKRXSA-N -1 1 299.260 1.434 20 0 CDADMM C[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CO1 ZINC001590212354 1173294348 /nfs/dbraw/zinc/29/43/48/1173294348.db2.gz RKYGQVDHVFHCQX-CRCLSJGQSA-N -1 1 286.748 1.566 20 0 CDADMM C[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CO1 ZINC001590212354 1173294355 /nfs/dbraw/zinc/29/43/55/1173294355.db2.gz RKYGQVDHVFHCQX-CRCLSJGQSA-N -1 1 286.748 1.566 20 0 CDADMM C[C@@H]1CSCCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590329560 1173362395 /nfs/dbraw/zinc/36/23/95/1173362395.db2.gz OOSRXEAGNMMXQE-MRVPVSSYSA-N -1 1 293.352 1.427 20 0 CDADMM C[C@@H]1CSCCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590329560 1173362402 /nfs/dbraw/zinc/36/24/02/1173362402.db2.gz OOSRXEAGNMMXQE-MRVPVSSYSA-N -1 1 293.352 1.427 20 0 CDADMM CC=CC=CC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001590353970 1173370189 /nfs/dbraw/zinc/37/01/89/1173370189.db2.gz QTKWQEVSEGFKPC-ICWBMWKASA-N -1 1 286.295 1.341 20 0 CDADMM CC[C@@H](COCC1CC1)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001590447008 1173410241 /nfs/dbraw/zinc/41/02/41/1173410241.db2.gz IWHLYCHAJDTFAR-JTQLQIEISA-N -1 1 289.343 1.274 20 0 CDADMM CC[C@@H](COCC1CC1)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001590447008 1173410250 /nfs/dbraw/zinc/41/02/50/1173410250.db2.gz IWHLYCHAJDTFAR-JTQLQIEISA-N -1 1 289.343 1.274 20 0 CDADMM CC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590513479 1173443107 /nfs/dbraw/zinc/44/31/07/1173443107.db2.gz KGLLFRDTMAKXKQ-SECBINFHSA-N -1 1 259.317 1.283 20 0 CDADMM CC[C@H]1CN(c2cccnc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC001590523617 1173451008 /nfs/dbraw/zinc/45/10/08/1173451008.db2.gz XVMOOQQXZANLHA-ZJUUUORDSA-N -1 1 274.328 1.265 20 0 CDADMM CC[C@H]1CN(c2cccnc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC001590523617 1173451012 /nfs/dbraw/zinc/45/10/12/1173451012.db2.gz XVMOOQQXZANLHA-ZJUUUORDSA-N -1 1 274.328 1.265 20 0 CDADMM CCC=CCNc1ccc(C(=O)OC)nc1-c1nnn[n-]1 ZINC001590530335 1173456253 /nfs/dbraw/zinc/45/62/53/1173456253.db2.gz BYAYZSIUAXMGIC-SNAWJCMRSA-N -1 1 288.311 1.426 20 0 CDADMM CCC=CCNc1ccc(C(=O)OC)nc1-c1nn[n-]n1 ZINC001590530335 1173456257 /nfs/dbraw/zinc/45/62/57/1173456257.db2.gz BYAYZSIUAXMGIC-SNAWJCMRSA-N -1 1 288.311 1.426 20 0 CDADMM CCN(CC(C)C)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590681628 1173488632 /nfs/dbraw/zinc/48/86/32/1173488632.db2.gz XPDOQVPFNUMNIW-UHFFFAOYSA-N -1 1 289.343 1.772 20 0 CDADMM CCN(CC(C)C)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590681628 1173488635 /nfs/dbraw/zinc/48/86/35/1173488635.db2.gz XPDOQVPFNUMNIW-UHFFFAOYSA-N -1 1 289.343 1.772 20 0 CDADMM CCO[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001590795736 1173514168 /nfs/dbraw/zinc/51/41/68/1173514168.db2.gz ZDPIEZBCMHKBRH-SECBINFHSA-N -1 1 291.311 1.101 20 0 CDADMM CCO[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590795736 1173514171 /nfs/dbraw/zinc/51/41/71/1173514171.db2.gz ZDPIEZBCMHKBRH-SECBINFHSA-N -1 1 291.311 1.101 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H]2C2CCCC2)n1 ZINC001590906691 1173537900 /nfs/dbraw/zinc/53/79/00/1173537900.db2.gz WBBRDTGWQYXQDF-LBPRGKRZSA-N -1 1 299.382 1.988 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H]2C2CCCC2)n1 ZINC001590906691 1173537906 /nfs/dbraw/zinc/53/79/06/1173537906.db2.gz WBBRDTGWQYXQDF-LBPRGKRZSA-N -1 1 299.382 1.988 20 0 CDADMM CCc1cnccc1CNc1cncc(-c2nnn[n-]2)n1 ZINC001590901971 1173538970 /nfs/dbraw/zinc/53/89/70/1173538970.db2.gz OTBUTUDVTVGNTK-UHFFFAOYSA-N -1 1 282.311 1.226 20 0 CDADMM CCc1cnccc1CNc1cncc(-c2nn[n-]n2)n1 ZINC001590901971 1173538975 /nfs/dbraw/zinc/53/89/75/1173538975.db2.gz OTBUTUDVTVGNTK-UHFFFAOYSA-N -1 1 282.311 1.226 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N(CC)CC2CCC2)n1 ZINC001590904600 1173539289 /nfs/dbraw/zinc/53/92/89/1173539289.db2.gz BFEUPRHZVKLEGX-UHFFFAOYSA-N -1 1 287.371 1.846 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N(CC)CC2CCC2)n1 ZINC001590904600 1173539293 /nfs/dbraw/zinc/53/92/93/1173539293.db2.gz BFEUPRHZVKLEGX-UHFFFAOYSA-N -1 1 287.371 1.846 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C2CCCC2)n1 ZINC001590903837 1173539578 /nfs/dbraw/zinc/53/95/78/1173539578.db2.gz XTVCSYDNEYHOLC-UHFFFAOYSA-N -1 1 273.344 1.598 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C2CCCC2)n1 ZINC001590903837 1173539582 /nfs/dbraw/zinc/53/95/82/1173539582.db2.gz XTVCSYDNEYHOLC-UHFFFAOYSA-N -1 1 273.344 1.598 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC(C)=C[C@@H](C)C2)n1 ZINC001590905330 1173540001 /nfs/dbraw/zinc/54/00/01/1173540001.db2.gz UXNBKFDKWWIQKV-SECBINFHSA-N -1 1 285.355 1.622 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC(C)=C[C@@H](C)C2)n1 ZINC001590905330 1173540008 /nfs/dbraw/zinc/54/00/08/1173540008.db2.gz UXNBKFDKWWIQKV-SECBINFHSA-N -1 1 285.355 1.622 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCCC2)n1 ZINC001590907431 1173540606 /nfs/dbraw/zinc/54/06/06/1173540606.db2.gz JEQMPJXAFYTTFO-UHFFFAOYSA-N -1 1 259.317 1.209 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCCC2)n1 ZINC001590907431 1173540610 /nfs/dbraw/zinc/54/06/10/1173540610.db2.gz JEQMPJXAFYTTFO-UHFFFAOYSA-N -1 1 259.317 1.209 20 0 CDADMM CCc1nc(NC(C2CC2)C2CC2)cc(-c2nnn[n-]2)n1 ZINC001590916843 1173542538 /nfs/dbraw/zinc/54/25/38/1173542538.db2.gz LDOGANSXOXRRHD-UHFFFAOYSA-N -1 1 285.355 1.820 20 0 CDADMM CCc1nc(NC(C2CC2)C2CC2)cc(-c2nn[n-]n2)n1 ZINC001590916843 1173542543 /nfs/dbraw/zinc/54/25/43/1173542543.db2.gz LDOGANSXOXRRHD-UHFFFAOYSA-N -1 1 285.355 1.820 20 0 CDADMM CCc1occc1C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001590937086 1173546157 /nfs/dbraw/zinc/54/61/57/1173546157.db2.gz ANYUODJMLFWGPI-UHFFFAOYSA-N -1 1 298.306 1.694 20 0 CDADMM CCc1occc1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001590937086 1173546164 /nfs/dbraw/zinc/54/61/64/1173546164.db2.gz ANYUODJMLFWGPI-UHFFFAOYSA-N -1 1 298.306 1.694 20 0 CDADMM CCn1cc(NC(=O)Nc2cccc(-c3nnn[n-]3)n2)cn1 ZINC001590954912 1173549962 /nfs/dbraw/zinc/54/99/62/1173549962.db2.gz GZCKJIGYXACAQJ-UHFFFAOYSA-N -1 1 299.298 1.122 20 0 CDADMM CCn1cc(NC(=O)Nc2cccc(-c3nn[n-]n3)n2)cn1 ZINC001590954912 1173549964 /nfs/dbraw/zinc/54/99/64/1173549964.db2.gz GZCKJIGYXACAQJ-UHFFFAOYSA-N -1 1 299.298 1.122 20 0 CDADMM CCn1ccnc1[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001590961906 1173553024 /nfs/dbraw/zinc/55/30/24/1173553024.db2.gz FXXVUNMGRISECZ-QMMMGPOBSA-N -1 1 285.315 1.046 20 0 CDADMM CCn1ccnc1[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001590961906 1173553029 /nfs/dbraw/zinc/55/30/29/1173553029.db2.gz FXXVUNMGRISECZ-QMMMGPOBSA-N -1 1 285.315 1.046 20 0 CDADMM CN(Cc1ccncc1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591150168 1173583079 /nfs/dbraw/zinc/58/30/79/1173583079.db2.gz ROSWDIZYPMMWSX-UHFFFAOYSA-N -1 1 284.279 1.127 20 0 CDADMM CN(Cc1ccncc1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591150168 1173583084 /nfs/dbraw/zinc/58/30/84/1173583084.db2.gz ROSWDIZYPMMWSX-UHFFFAOYSA-N -1 1 284.279 1.127 20 0 CDADMM CN(c1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001591159493 1173586136 /nfs/dbraw/zinc/58/61/36/1173586136.db2.gz LEXUXLOSOWDCSA-UHFFFAOYSA-N -1 1 256.722 1.575 20 0 CDADMM COC(=O)/C(C)=C\CNc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001591227963 1173595032 /nfs/dbraw/zinc/59/50/32/1173595032.db2.gz GDBAIPBKXACOFB-YWEYNIOJSA-N -1 1 288.311 1.101 20 0 CDADMM COC(=O)/C(C)=C\CNc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001591227963 1173595037 /nfs/dbraw/zinc/59/50/37/1173595037.db2.gz GDBAIPBKXACOFB-YWEYNIOJSA-N -1 1 288.311 1.101 20 0 CDADMM COC(C)(C)CCNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001591316374 1173601379 /nfs/dbraw/zinc/60/13/79/1173601379.db2.gz HUODLHLAQFNDNU-UHFFFAOYSA-N -1 1 276.344 1.797 20 0 CDADMM COC(C)(C)CCNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001591316374 1173601382 /nfs/dbraw/zinc/60/13/82/1173601382.db2.gz HUODLHLAQFNDNU-UHFFFAOYSA-N -1 1 276.344 1.797 20 0 CDADMM COC(C)(C)CCn1ccn2ncc(-c3nn[n-]n3)c12 ZINC001591316465 1173602376 /nfs/dbraw/zinc/60/23/76/1173602376.db2.gz KACFPFMGBXXLOX-UHFFFAOYSA-N -1 1 275.316 1.131 20 0 CDADMM COc1cccc(NCc2cccc(-c3nn[n-]n3)n2)n1 ZINC001591641603 1173677153 /nfs/dbraw/zinc/67/71/53/1173677153.db2.gz KSYRYWNQJCNQFI-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM COc1cccc(NCc2cccc(-c3nnn[n-]3)n2)n1 ZINC001591641603 1173677147 /nfs/dbraw/zinc/67/71/47/1173677147.db2.gz KSYRYWNQJCNQFI-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM C[C@@H]1CN(c2cccnc2-c2nnn[n-]2)CCS1 ZINC001591748338 1173694021 /nfs/dbraw/zinc/69/40/21/1173694021.db2.gz YFACXWQWHFDIJG-MRVPVSSYSA-N -1 1 262.342 1.203 20 0 CDADMM C[C@@H]1CN(c2cccnc2-c2nn[n-]n2)CCS1 ZINC001591748338 1173694026 /nfs/dbraw/zinc/69/40/26/1173694026.db2.gz YFACXWQWHFDIJG-MRVPVSSYSA-N -1 1 262.342 1.203 20 0 CDADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@@H]2CC=CCC2)nn1C ZINC001591798002 1173706654 /nfs/dbraw/zinc/70/66/54/1173706654.db2.gz COTNDJVUQAFJOO-SECBINFHSA-N -1 1 287.327 1.203 20 0 CDADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@@H]2CC=CCC2)nn1C ZINC001591798002 1173706659 /nfs/dbraw/zinc/70/66/59/1173706659.db2.gz COTNDJVUQAFJOO-SECBINFHSA-N -1 1 287.327 1.203 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@H](C(C)C)C2)c1 ZINC001591887608 1173737794 /nfs/dbraw/zinc/73/77/94/1173737794.db2.gz BPRFYVVJLKRMTR-LBPRGKRZSA-N -1 1 288.355 1.431 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@H](C(C)C)C2)c1 ZINC001591887608 1173737800 /nfs/dbraw/zinc/73/78/00/1173737800.db2.gz BPRFYVVJLKRMTR-LBPRGKRZSA-N -1 1 288.355 1.431 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C)C[C@@H](C)[C@H]2C)n1 ZINC001591884416 1173739606 /nfs/dbraw/zinc/73/96/06/1173739606.db2.gz ZMPLEKVLEXKIJL-FXPVBKGRSA-N -1 1 287.371 1.836 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](C)C[C@@H](C)[C@H]2C)n1 ZINC001591884416 1173739613 /nfs/dbraw/zinc/73/96/13/1173739613.db2.gz ZMPLEKVLEXKIJL-FXPVBKGRSA-N -1 1 287.371 1.836 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2C[C@@H](C)n3ccnc32)n1 ZINC001591892597 1173742415 /nfs/dbraw/zinc/74/24/15/1173742415.db2.gz VERQNPAXWZYQOY-PSASIEDQSA-N -1 1 297.326 1.280 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2C[C@@H](C)n3ccnc32)n1 ZINC001591892597 1173742420 /nfs/dbraw/zinc/74/24/20/1173742420.db2.gz VERQNPAXWZYQOY-PSASIEDQSA-N -1 1 297.326 1.280 20 0 CDADMM Cc1cc(C)cc(Nc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001591954134 1173753055 /nfs/dbraw/zinc/75/30/55/1173753055.db2.gz IIUQNUGWFGXIID-UHFFFAOYSA-N -1 1 267.296 1.439 20 0 CDADMM Cc1cc(N(C)CC2CCC2)cc(-c2nnn[n-]2)n1 ZINC001591994763 1173766815 /nfs/dbraw/zinc/76/68/15/1173766815.db2.gz BRWMDQUCXYGFBC-UHFFFAOYSA-N -1 1 258.329 1.806 20 0 CDADMM Cc1cc(N(C)CC2CCC2)cc(-c2nn[n-]n2)n1 ZINC001591994763 1173766818 /nfs/dbraw/zinc/76/68/18/1173766818.db2.gz BRWMDQUCXYGFBC-UHFFFAOYSA-N -1 1 258.329 1.806 20 0 CDADMM Cc1cc(N[C@@H](CCO)C2CC2)nc(-c2nnn[n-]2)c1 ZINC001592033670 1173776257 /nfs/dbraw/zinc/77/62/57/1173776257.db2.gz DKLDYUKCLZJLJK-JTQLQIEISA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cc(N[C@@H](CCO)C2CC2)nc(-c2nn[n-]n2)c1 ZINC001592033670 1173776260 /nfs/dbraw/zinc/77/62/60/1173776260.db2.gz DKLDYUKCLZJLJK-JTQLQIEISA-N -1 1 274.328 1.143 20 0 CDADMM Cc1ccc([C@H](C)C(=O)Nc2n[nH]cc2-c2nnn[n-]2)o1 ZINC001592135123 1173811531 /nfs/dbraw/zinc/81/15/31/1173811531.db2.gz PLFWAMUHLPHOBT-ZETCQYMHSA-N -1 1 287.283 1.233 20 0 CDADMM Cc1ccc([C@H](C)C(=O)Nc2n[nH]cc2-c2nn[n-]n2)o1 ZINC001592135123 1173811534 /nfs/dbraw/zinc/81/15/34/1173811534.db2.gz PLFWAMUHLPHOBT-ZETCQYMHSA-N -1 1 287.283 1.233 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1ccc(C)cn1 ZINC001592162178 1173817323 /nfs/dbraw/zinc/81/73/23/1173817323.db2.gz UWAOMWSKAHCROQ-UHFFFAOYSA-N -1 1 298.306 1.402 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1ccc(C)cn1 ZINC001592162178 1173817328 /nfs/dbraw/zinc/81/73/28/1173817328.db2.gz UWAOMWSKAHCROQ-UHFFFAOYSA-N -1 1 298.306 1.402 20 0 CDADMM Cc1ccc(N2CCC[C@@H]([C@@H](C)O)C2)c(-c2nnn[n-]2)n1 ZINC001592177809 1173824901 /nfs/dbraw/zinc/82/49/01/1173824901.db2.gz KPAQQZNYZPYTHG-GHMZBOCLSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(N2CCC[C@@H]([C@@H](C)O)C2)c(-c2nn[n-]n2)n1 ZINC001592177809 1173824905 /nfs/dbraw/zinc/82/49/05/1173824905.db2.gz KPAQQZNYZPYTHG-GHMZBOCLSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(NCCC(F)(F)F)nc1-c1nnn[n-]1 ZINC001592183586 1173827735 /nfs/dbraw/zinc/82/77/35/1173827735.db2.gz UXOXTWSRKUJTTN-UHFFFAOYSA-N -1 1 272.234 1.934 20 0 CDADMM Cc1ccc(NCCC(F)(F)F)nc1-c1nn[n-]n1 ZINC001592183586 1173827740 /nfs/dbraw/zinc/82/77/40/1173827740.db2.gz UXOXTWSRKUJTTN-UHFFFAOYSA-N -1 1 272.234 1.934 20 0 CDADMM Cc1ccc(N[C@H](C)Cc2cnn(C)c2)nc1-c1nn[n-]n1 ZINC001592184967 1173831712 /nfs/dbraw/zinc/83/17/12/1173831712.db2.gz ZCEVUBJKNALNHH-SNVBAGLBSA-N -1 1 298.354 1.347 20 0 CDADMM Cc1ccccc1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592251016 1173835502 /nfs/dbraw/zinc/83/55/02/1173835502.db2.gz OSGLCUNNWKASRE-UHFFFAOYSA-N -1 1 294.318 1.500 20 0 CDADMM Cc1ccccc1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592251016 1173835508 /nfs/dbraw/zinc/83/55/08/1173835508.db2.gz OSGLCUNNWKASRE-UHFFFAOYSA-N -1 1 294.318 1.500 20 0 CDADMM Cc1ccn(C)c1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001592265265 1173837469 /nfs/dbraw/zinc/83/74/69/1173837469.db2.gz KGEDRYARPWPRBI-UHFFFAOYSA-N -1 1 298.306 1.266 20 0 CDADMM Cc1ccn(C)c1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001592265265 1173837474 /nfs/dbraw/zinc/83/74/74/1173837474.db2.gz KGEDRYARPWPRBI-UHFFFAOYSA-N -1 1 298.306 1.266 20 0 CDADMM Cc1ccn(CN2C[C@@H](C)C[C@H]2C)c(=O)c1-c1nnn[n-]1 ZINC001592268022 1173838539 /nfs/dbraw/zinc/83/85/39/1173838539.db2.gz WFONKRFGYCOXNG-GXSJLCMTSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccn(CC(=O)c2ccccc2)c(=O)c1-c1nn[n-]n1 ZINC001592265608 1173839558 /nfs/dbraw/zinc/83/95/58/1173839558.db2.gz CKHGXXMSGUDTIO-UHFFFAOYSA-N -1 1 295.302 1.220 20 0 CDADMM Cc1cn(Cc2ccc(-c3nn[n-]n3)s2)c(=O)s1 ZINC001592287480 1173846111 /nfs/dbraw/zinc/84/61/11/1173846111.db2.gz NXFHAMFTWHDEHB-UHFFFAOYSA-N -1 1 279.350 1.508 20 0 CDADMM Cc1csc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC001592313735 1173852892 /nfs/dbraw/zinc/85/28/92/1173852892.db2.gz BEAXIPPBTPWVFN-UHFFFAOYSA-N -1 1 289.324 1.222 20 0 CDADMM Cc1csc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC001592313735 1173852895 /nfs/dbraw/zinc/85/28/95/1173852895.db2.gz BEAXIPPBTPWVFN-UHFFFAOYSA-N -1 1 289.324 1.222 20 0 CDADMM Cc1[nH]nc(NC(=O)CCc2ccoc2)c1-c1nn[n-]n1 ZINC001592328936 1173857425 /nfs/dbraw/zinc/85/74/25/1173857425.db2.gz ZQMLBBDPKNHSLN-UHFFFAOYSA-N -1 1 287.283 1.063 20 0 CDADMM Cc1nc(NC[C@@H]2CC(C)(C)CO2)cc(-c2nnn[n-]2)n1 ZINC001592387837 1173878458 /nfs/dbraw/zinc/87/84/58/1173878458.db2.gz LYFIGTSOMINBKJ-VIFPVBQESA-N -1 1 289.343 1.192 20 0 CDADMM Cc1nc(NC[C@@H]2CC(C)(C)CO2)cc(-c2nn[n-]n2)n1 ZINC001592387837 1173878462 /nfs/dbraw/zinc/87/84/62/1173878462.db2.gz LYFIGTSOMINBKJ-VIFPVBQESA-N -1 1 289.343 1.192 20 0 CDADMM Cc1nc(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001592388683 1173878663 /nfs/dbraw/zinc/87/86/63/1173878663.db2.gz XTLLCGUIVLWQNZ-MXWKQRLJSA-N -1 1 285.355 1.813 20 0 CDADMM Cc1nc(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001592388683 1173878668 /nfs/dbraw/zinc/87/86/68/1173878668.db2.gz XTLLCGUIVLWQNZ-MXWKQRLJSA-N -1 1 285.355 1.813 20 0 CDADMM Cc1noc(C)c1CN(C)c1ccnc(-c2nnn[n-]2)c1 ZINC001592457949 1173894645 /nfs/dbraw/zinc/89/46/45/1173894645.db2.gz CZWSWHHNNBDGFH-UHFFFAOYSA-N -1 1 285.311 1.503 20 0 CDADMM Cc1noc(C)c1CN(C)c1ccnc(-c2nn[n-]n2)c1 ZINC001592457949 1173894650 /nfs/dbraw/zinc/89/46/50/1173894650.db2.gz CZWSWHHNNBDGFH-UHFFFAOYSA-N -1 1 285.311 1.503 20 0 CDADMM Cn1cccc1-c1nnc(-c2ccc(-c3nnn[n-]3)s2)o1 ZINC001592581893 1173922659 /nfs/dbraw/zinc/92/26/59/1173922659.db2.gz QNFULIWNUICVGB-UHFFFAOYSA-N -1 1 299.319 1.984 20 0 CDADMM Cn1cccc1-c1nnc(-c2ccc(-c3nn[n-]n3)s2)o1 ZINC001592581893 1173922662 /nfs/dbraw/zinc/92/26/62/1173922662.db2.gz QNFULIWNUICVGB-UHFFFAOYSA-N -1 1 299.319 1.984 20 0 CDADMM Cn1ncc(Nc2ccc(-c3nnn[n-]3)nn2)c1C1CC1 ZINC001592602435 1173926390 /nfs/dbraw/zinc/92/63/90/1173926390.db2.gz PNYKFRXWHPGADG-UHFFFAOYSA-N -1 1 283.299 1.011 20 0 CDADMM Cn1ncc(Nc2ccc(-c3nn[n-]n3)nn2)c1C1CC1 ZINC001592602435 1173926393 /nfs/dbraw/zinc/92/63/93/1173926393.db2.gz PNYKFRXWHPGADG-UHFFFAOYSA-N -1 1 283.299 1.011 20 0 CDADMM FC1(F)CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001592627716 1173934650 /nfs/dbraw/zinc/93/46/50/1173934650.db2.gz CQJNXLIOOXCEDQ-UHFFFAOYSA-N -1 1 281.270 1.068 20 0 CDADMM Fc1ccc([C@@H]2C[C@H]2Nc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001592652989 1173954608 /nfs/dbraw/zinc/95/46/08/1173954608.db2.gz DQQYSCXOXRGPGC-QWHCGFSZSA-N -1 1 296.309 1.791 20 0 CDADMM Fc1ccc([C@@H]2C[C@H]2Nc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001592652989 1173954614 /nfs/dbraw/zinc/95/46/14/1173954614.db2.gz DQQYSCXOXRGPGC-QWHCGFSZSA-N -1 1 296.309 1.791 20 0 CDADMM Fc1cccc(Oc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001592658861 1173958637 /nfs/dbraw/zinc/95/86/37/1173958637.db2.gz XAWAVSPMJSUGDN-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM O=C(C=C1CCCC1)OCc1nc(-c2nnn[n-]2)cs1 ZINC001592790836 1173988173 /nfs/dbraw/zinc/98/81/73/1173988173.db2.gz FPTJGHVGKFMIKU-UHFFFAOYSA-N -1 1 291.336 1.867 20 0 CDADMM O=C(C=C1CCCC1)OCc1nc(-c2nn[n-]n2)cs1 ZINC001592790836 1173988180 /nfs/dbraw/zinc/98/81/80/1173988180.db2.gz FPTJGHVGKFMIKU-UHFFFAOYSA-N -1 1 291.336 1.867 20 0 CDADMM O=C(N[C@@H]1CC12CC2)c1ccsc1-c1nnn[n-]1 ZINC001592967037 1174008358 /nfs/dbraw/zinc/00/83/58/1174008358.db2.gz QCLCRXCQWCAFGS-SSDOTTSWSA-N -1 1 261.310 1.211 20 0 CDADMM O=C(N[C@@H]1CC12CC2)c1ccsc1-c1nn[n-]n1 ZINC001592967037 1174008365 /nfs/dbraw/zinc/00/83/65/1174008365.db2.gz QCLCRXCQWCAFGS-SSDOTTSWSA-N -1 1 261.310 1.211 20 0 CDADMM O=C(NC[C@@H]1C[C@H]1C1CC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593110893 1174023303 /nfs/dbraw/zinc/02/33/03/1174023303.db2.gz KMAGXOOYHQHAIE-ONGXEEELSA-N -1 1 299.338 1.429 20 0 CDADMM O=C(NC[C@@H]1C[C@H]1C1CC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593110893 1174023310 /nfs/dbraw/zinc/02/33/10/1174023310.db2.gz KMAGXOOYHQHAIE-ONGXEEELSA-N -1 1 299.338 1.429 20 0 CDADMM O=C(NCc1cccc(F)c1)c1cccc(-c2nnn[n-]2)n1 ZINC001593144542 1174025624 /nfs/dbraw/zinc/02/56/24/1174025624.db2.gz LVAVCJLQPZIFOP-UHFFFAOYSA-N -1 1 298.281 1.331 20 0 CDADMM O=C(NCc1cccc(F)c1)c1cccc(-c2nn[n-]n2)n1 ZINC001593144542 1174025629 /nfs/dbraw/zinc/02/56/29/1174025629.db2.gz LVAVCJLQPZIFOP-UHFFFAOYSA-N -1 1 298.281 1.331 20 0 CDADMM O=C(N[C@@H]1CCCC[C@H]1F)c1csc(-c2nn[n-]n2)c1 ZINC001593173316 1174028499 /nfs/dbraw/zinc/02/84/99/1174028499.db2.gz FDLOOYAHTAMGED-RKDXNWHRSA-N -1 1 295.343 1.939 20 0 CDADMM O=C(Nc1ccncc1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593255591 1174039153 /nfs/dbraw/zinc/03/91/53/1174039153.db2.gz RCYSKQNXZACXRL-UHFFFAOYSA-N -1 1 284.254 1.075 20 0 CDADMM O=C(Nc1ccncc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593255591 1174039159 /nfs/dbraw/zinc/03/91/59/1174039159.db2.gz RCYSKQNXZACXRL-UHFFFAOYSA-N -1 1 284.254 1.075 20 0 CDADMM O=C([N-]c1ccon1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001593257328 1174041613 /nfs/dbraw/zinc/04/16/13/1174041613.db2.gz XJGKXBAGYREBIG-UHFFFAOYSA-N -1 1 292.205 1.385 20 0 CDADMM O=C(Nc1ccsc1)c1cccc(-c2nnn[n-]2)n1 ZINC001593257295 1174042481 /nfs/dbraw/zinc/04/24/81/1174042481.db2.gz VTLVPVBKUPQBLR-UHFFFAOYSA-N -1 1 272.293 1.576 20 0 CDADMM O=C(Nc1ccsc1)c1cccc(-c2nn[n-]n2)n1 ZINC001593257295 1174042490 /nfs/dbraw/zinc/04/24/90/1174042490.db2.gz VTLVPVBKUPQBLR-UHFFFAOYSA-N -1 1 272.293 1.576 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc(C(F)F)o1 ZINC001593260547 1174043054 /nfs/dbraw/zinc/04/30/54/1174043054.db2.gz NRXRZQXAPUGYHX-UHFFFAOYSA-N -1 1 295.209 1.373 20 0 CDADMM O=C(O[C@@H]1C=CCCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593282496 1174047840 /nfs/dbraw/zinc/04/78/40/1174047840.db2.gz XMPPVQIMURCJHG-SNVBAGLBSA-N -1 1 271.280 1.527 20 0 CDADMM O=C(O[C@@H]1C=CCCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593282496 1174047846 /nfs/dbraw/zinc/04/78/46/1174047846.db2.gz XMPPVQIMURCJHG-SNVBAGLBSA-N -1 1 271.280 1.527 20 0 CDADMM O=C(OCC(C1CC1)C1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593283329 1174048703 /nfs/dbraw/zinc/04/87/03/1174048703.db2.gz QUAWFEBHNVQTGV-UHFFFAOYSA-N -1 1 299.334 1.855 20 0 CDADMM O=C(OCC(C1CC1)C1CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593283329 1174048707 /nfs/dbraw/zinc/04/87/07/1174048707.db2.gz QUAWFEBHNVQTGV-UHFFFAOYSA-N -1 1 299.334 1.855 20 0 CDADMM O=C(O[C@@H]1C=CCCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593282364 1174049646 /nfs/dbraw/zinc/04/96/46/1174049646.db2.gz UFQROGLKELATKB-SECBINFHSA-N -1 1 271.280 1.527 20 0 CDADMM O=C(O[C@@H]1C=CCCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593282364 1174049651 /nfs/dbraw/zinc/04/96/51/1174049651.db2.gz UFQROGLKELATKB-SECBINFHSA-N -1 1 271.280 1.527 20 0 CDADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@@H]2C[C@@H]2C1 ZINC001593350081 1174067304 /nfs/dbraw/zinc/06/73/04/1174067304.db2.gz HKJOYBZPVKTADY-RKDXNWHRSA-N -1 1 287.298 1.488 20 0 CDADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@@H]2C[C@@H]2C1 ZINC001593350081 1174067309 /nfs/dbraw/zinc/06/73/09/1174067309.db2.gz HKJOYBZPVKTADY-RKDXNWHRSA-N -1 1 287.298 1.488 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCCC2(CC2)CC1 ZINC001593348660 1174067561 /nfs/dbraw/zinc/06/75/61/1174067561.db2.gz JXFHCGUSUVKUDN-UHFFFAOYSA-N -1 1 298.350 1.668 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCCC2(CC2)CC1 ZINC001593348660 1174067568 /nfs/dbraw/zinc/06/75/68/1174067568.db2.gz JXFHCGUSUVKUDN-UHFFFAOYSA-N -1 1 298.350 1.668 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@H](F)C1 ZINC001593340887 1174069304 /nfs/dbraw/zinc/06/93/04/1174069304.db2.gz NSVCWUFIHYMNNY-ZETCQYMHSA-N -1 1 265.248 1.034 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@H](F)C1 ZINC001593340887 1174069314 /nfs/dbraw/zinc/06/93/14/1174069314.db2.gz NSVCWUFIHYMNNY-ZETCQYMHSA-N -1 1 265.248 1.034 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCCC2(CC2)C1 ZINC001593367024 1174070639 /nfs/dbraw/zinc/07/06/39/1174070639.db2.gz GZYBKUQGLKEDSG-UHFFFAOYSA-N -1 1 273.296 1.476 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCCC2(CC2)C1 ZINC001593367024 1174070643 /nfs/dbraw/zinc/07/06/43/1174070643.db2.gz GZYBKUQGLKEDSG-UHFFFAOYSA-N -1 1 273.296 1.476 20 0 CDADMM c1cc(-c2cnn3c2OCCC3)sc1-c1nn[n-]n1 ZINC001593544919 1174113696 /nfs/dbraw/zinc/11/36/96/1174113696.db2.gz QZUVGORMNGLQLR-UHFFFAOYSA-N -1 1 274.309 1.574 20 0 CDADMM c1cc(-c2nc(C3CCC3)no2)oc1-c1nn[n-]n1 ZINC001593544565 1174114803 /nfs/dbraw/zinc/11/48/03/1174114803.db2.gz IJNNTJYZAYKQPB-UHFFFAOYSA-N -1 1 258.241 1.777 20 0 CDADMM c1cc([C@H]2CCCN2c2ccnc(-c3nnn[n-]3)c2)n[nH]1 ZINC001593551594 1174124244 /nfs/dbraw/zinc/12/42/44/1174124244.db2.gz JZWDAAWBSCDFMY-GFCCVEGCSA-N -1 1 282.311 1.326 20 0 CDADMM c1cc([C@H]2CCCN2c2ccnc(-c3nn[n-]n3)c2)n[nH]1 ZINC001593551594 1174124247 /nfs/dbraw/zinc/12/42/47/1174124247.db2.gz JZWDAAWBSCDFMY-GFCCVEGCSA-N -1 1 282.311 1.326 20 0 CDADMM c1cc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)nc(-c2nn[n-]n2)n1 ZINC001593558683 1174133133 /nfs/dbraw/zinc/13/31/33/1174133133.db2.gz ORYQYJYNRWXWFS-GARJFASQSA-N -1 1 285.355 1.459 20 0 CDADMM c1cc2cc(Oc3cc(-c4nnn[n-]4)ncn3)ccc2cn1 ZINC001593565109 1174140663 /nfs/dbraw/zinc/14/06/63/1174140663.db2.gz RAXOVEWMZPGRIR-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1cc2cc(Oc3cc(-c4nn[n-]n4)ncn3)ccc2cn1 ZINC001593565109 1174140670 /nfs/dbraw/zinc/14/06/70/1174140670.db2.gz RAXOVEWMZPGRIR-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1ccc(C2CN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001593573537 1174145713 /nfs/dbraw/zinc/14/57/13/1174145713.db2.gz SSQFZQDGMWSNLY-UHFFFAOYSA-N -1 1 279.307 1.261 20 0 CDADMM c1coc([C@@H]2CCN(c3cccnc3-c3nnn[n-]3)C2)c1 ZINC001593589572 1174154624 /nfs/dbraw/zinc/15/46/24/1174154624.db2.gz DIYHSPYLHLWWOS-SNVBAGLBSA-N -1 1 282.307 1.849 20 0 CDADMM c1coc([C@@H]2CCN(c3cccnc3-c3nn[n-]n3)C2)c1 ZINC001593589572 1174154628 /nfs/dbraw/zinc/15/46/28/1174154628.db2.gz DIYHSPYLHLWWOS-SNVBAGLBSA-N -1 1 282.307 1.849 20 0 CDADMM c1cncc([C@@H]2CCN(c3ncncc3-c3nn[n-]n3)C2)c1 ZINC001593587983 1174156004 /nfs/dbraw/zinc/15/60/04/1174156004.db2.gz QREURMSCXCBNDJ-LLVKDONJSA-N -1 1 294.322 1.046 20 0 CDADMM c1ncc(N2CCC(C3CC3)CC2)nc1-c1nnn[n-]1 ZINC001593593364 1174159325 /nfs/dbraw/zinc/15/93/25/1174159325.db2.gz OONNJATWVLAQME-UHFFFAOYSA-N -1 1 271.328 1.283 20 0 CDADMM c1ncc(N2CCC(C3CC3)CC2)nc1-c1nn[n-]n1 ZINC001593593364 1174159328 /nfs/dbraw/zinc/15/93/28/1174159328.db2.gz OONNJATWVLAQME-UHFFFAOYSA-N -1 1 271.328 1.283 20 0 CDADMM Cc1cc(=O)n2[n-]c(NC(=O)[C@H](C)c3ccccc3)nc2n1 ZINC001596081892 1174227308 /nfs/dbraw/zinc/22/73/08/1174227308.db2.gz ZBLQHWJQSBUBSX-SNVBAGLBSA-N -1 1 297.318 1.468 20 0 CDADMM Cc1c(NC(=O)c2c(O)cccc2F)cnn1CC(=O)[O-] ZINC001600045714 1174346992 /nfs/dbraw/zinc/34/69/92/1174346992.db2.gz NJKQDFFNWIHENC-UHFFFAOYSA-N -1 1 293.254 1.373 20 0 CDADMM Cc1ccc(CN2CCSC[C@@H]2CO)cc1C(=O)[O-] ZINC001600414320 1174469423 /nfs/dbraw/zinc/46/94/23/1174469423.db2.gz LNYGRNRBLWDONL-LBPRGKRZSA-N -1 1 281.377 1.603 20 0 CDADMM Cc1cnn(CC(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c1 ZINC001600636646 1174544847 /nfs/dbraw/zinc/54/48/47/1174544847.db2.gz JOPOMVWITSRKIG-UHFFFAOYSA-N -1 1 299.290 1.405 20 0 CDADMM Cc1cnn(C)c1CNc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001600635692 1174545278 /nfs/dbraw/zinc/54/52/78/1174545278.db2.gz SFYUSFULHZYGLL-UHFFFAOYSA-N -1 1 285.307 1.915 20 0 CDADMM Cc1nc(CN2C[C@H](C(=O)[O-])Oc3cc(F)ccc32)n[nH]1 ZINC001600671688 1174557563 /nfs/dbraw/zinc/55/75/63/1174557563.db2.gz UYKYKIMGTMBALC-LLVKDONJSA-N -1 1 292.270 1.104 20 0 CDADMM Cc1n[nH]c([C@@H]2CCN(Cc3nc(C(=O)[O-])cs3)C2)n1 ZINC001600697333 1174568633 /nfs/dbraw/zinc/56/86/33/1174568633.db2.gz YMVSRKLCHHRXGU-MRVPVSSYSA-N -1 1 293.352 1.257 20 0 CDADMM Cc1nnc([C@@H]2CCN(Cc3nc(C(=O)[O-])cs3)C2)[nH]1 ZINC001600697333 1174568638 /nfs/dbraw/zinc/56/86/38/1174568638.db2.gz YMVSRKLCHHRXGU-MRVPVSSYSA-N -1 1 293.352 1.257 20 0 CDADMM Cc1ncsc1CCN1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001600759655 1174598791 /nfs/dbraw/zinc/59/87/91/1174598791.db2.gz SRPKFEAWUMEQKZ-SCZZXKLOSA-N -1 1 270.354 1.168 20 0 CDADMM Cc1nn(C)cc1[C@@H](C)NCc1cc(C(=O)[O-])c(C)[nH]1 ZINC001600778893 1174607874 /nfs/dbraw/zinc/60/78/74/1174607874.db2.gz YZMQBTGTYVPYKR-MRVPVSSYSA-N -1 1 276.340 1.914 20 0 CDADMM Cn1nccc1CN1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC001601039902 1174713068 /nfs/dbraw/zinc/71/30/68/1174713068.db2.gz VMOPRHINUHBRQD-AGIUHOORSA-N -1 1 263.341 1.495 20 0 CDADMM CN(Cc1ccc(C(N)=O)cc1)C(=O)c1cncc([O-])c1 ZINC000111775595 1174831570 /nfs/dbraw/zinc/83/15/70/1174831570.db2.gz RKDDXLAGVXBKOT-UHFFFAOYSA-N -1 1 285.303 1.158 20 0 CDADMM O=C([O-])[C@@H](NC(=O)c1ncn[nH]1)c1ccc2ccccc2c1 ZINC001601400633 1174856330 /nfs/dbraw/zinc/85/63/30/1174856330.db2.gz SFYZBFGFMWOXLN-LBPRGKRZSA-N -1 1 296.286 1.514 20 0 CDADMM O=C([O-])[C@@H](NC(=O)c1nc[nH]n1)c1ccc2ccccc2c1 ZINC001601400633 1174856336 /nfs/dbraw/zinc/85/63/36/1174856336.db2.gz SFYZBFGFMWOXLN-LBPRGKRZSA-N -1 1 296.286 1.514 20 0 CDADMM O=C([O-])[C@H](Cc1ccccc1)n1cc(CNC2CC2)nn1 ZINC001601661031 1174933794 /nfs/dbraw/zinc/93/37/94/1174933794.db2.gz VCDXRDFDBGKEHG-AWEZNQCLSA-N -1 1 286.335 1.399 20 0 CDADMM O=C([O-])C12CC(C(=O)Nc3ccc4[nH]nnc4c3)(C1)C2 ZINC001601729701 1174971426 /nfs/dbraw/zinc/97/14/26/1174971426.db2.gz TVQUJHQVKWAGSQ-UHFFFAOYSA-N -1 1 272.264 1.151 20 0 CDADMM O=C([O-])/C=C\c1ccc(CN2CCC[C@@H](O)C2)o1 ZINC001601879424 1175049680 /nfs/dbraw/zinc/04/96/80/1175049680.db2.gz 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606467265 /nfs/dbraw/zinc/46/72/65/606467265.db2.gz CLFNGKIYJXIEBG-IONNQARKSA-N -1 1 276.731 1.904 20 0 CDADMM Cc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000822227315 606517124 /nfs/dbraw/zinc/51/71/24/606517124.db2.gz DDLFIRMTNFZLEN-UHFFFAOYSA-N -1 1 295.302 1.927 20 0 CDADMM Cc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000822227315 606517125 /nfs/dbraw/zinc/51/71/25/606517125.db2.gz DDLFIRMTNFZLEN-UHFFFAOYSA-N -1 1 295.302 1.927 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1C1CC1 ZINC000823436490 606649978 /nfs/dbraw/zinc/64/99/78/606649978.db2.gz XZDFMAMHQBXFEY-GHMZBOCLSA-N -1 1 285.307 1.351 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1C1CC1 ZINC000823436490 606649979 /nfs/dbraw/zinc/64/99/79/606649979.db2.gz XZDFMAMHQBXFEY-GHMZBOCLSA-N -1 1 285.307 1.351 20 0 CDADMM CC/C=C(/C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821001558 606652634 /nfs/dbraw/zinc/65/26/34/606652634.db2.gz RPONNBNVKBIHFS-WTKPLQERSA-N -1 1 273.296 1.661 20 0 CDADMM CC/C=C(/C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821001558 606652635 /nfs/dbraw/zinc/65/26/35/606652635.db2.gz RPONNBNVKBIHFS-WTKPLQERSA-N -1 1 273.296 1.661 20 0 CDADMM CCCC1(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000821028011 606762371 /nfs/dbraw/zinc/76/23/71/606762371.db2.gz ROIVPBUQSOQQNY-UHFFFAOYSA-N -1 1 287.323 1.885 20 0 CDADMM CCCC1(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000821028011 606762374 /nfs/dbraw/zinc/76/23/74/606762374.db2.gz ROIVPBUQSOQQNY-UHFFFAOYSA-N -1 1 287.323 1.885 20 0 CDADMM C[C@@H]1CC[C@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820684681 606879297 /nfs/dbraw/zinc/87/92/97/606879297.db2.gz RWJAGAWZJXHRLQ-DTORHVGOSA-N -1 1 272.312 1.275 20 0 CDADMM C[C@@H]1CC[C@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820684681 606879298 /nfs/dbraw/zinc/87/92/98/606879298.db2.gz RWJAGAWZJXHRLQ-DTORHVGOSA-N -1 1 272.312 1.275 20 0 CDADMM Cc1cccc([C@@H](O)CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000822288934 607127690 /nfs/dbraw/zinc/12/76/90/607127690.db2.gz NONIRUYIZWVXOX-ZDUSSCGKSA-N -1 1 296.334 1.716 20 0 CDADMM Cc1cccc([C@@H](O)CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000822288934 607127691 /nfs/dbraw/zinc/12/76/91/607127691.db2.gz NONIRUYIZWVXOX-ZDUSSCGKSA-N -1 1 296.334 1.716 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CC12CCC2 ZINC000823436277 607132407 /nfs/dbraw/zinc/13/24/07/607132407.db2.gz OJIIEHJHDMUOSL-JTQLQIEISA-N -1 1 285.307 1.495 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CC12CCC2 ZINC000823436277 607132409 /nfs/dbraw/zinc/13/24/09/607132409.db2.gz OJIIEHJHDMUOSL-JTQLQIEISA-N -1 1 285.307 1.495 20 0 CDADMM Cn1ncc2c1CCC[C@@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000826366398 607896743 /nfs/dbraw/zinc/89/67/43/607896743.db2.gz GLSIIYNFGNJAAL-JTQLQIEISA-N -1 1 296.338 1.485 20 0 CDADMM Cn1ncc2c1CCC[C@@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000826366398 607896744 /nfs/dbraw/zinc/89/67/44/607896744.db2.gz GLSIIYNFGNJAAL-JTQLQIEISA-N -1 1 296.338 1.485 20 0 CDADMM CCCN(CC(C)(C)O)c1cccc(-c2nnn[n-]2)n1 ZINC000825307577 607902017 /nfs/dbraw/zinc/90/20/17/607902017.db2.gz FUOMXWDKTXRZGH-UHFFFAOYSA-N -1 1 276.344 1.249 20 0 CDADMM CCCN(CC(C)(C)O)c1cccc(-c2nn[n-]n2)n1 ZINC000825307577 607902018 /nfs/dbraw/zinc/90/20/18/607902018.db2.gz FUOMXWDKTXRZGH-UHFFFAOYSA-N -1 1 276.344 1.249 20 0 CDADMM c1nc(Sc2ccc(-c3nnn[n-]3)nn2)n2ccccc12 ZINC000826525125 607988194 /nfs/dbraw/zinc/98/81/94/607988194.db2.gz XTDHLLAPJUNDGC-UHFFFAOYSA-N -1 1 296.319 1.456 20 0 CDADMM c1nc(Sc2ccc(-c3nn[n-]n3)nn2)n2ccccc12 ZINC000826525125 607988195 /nfs/dbraw/zinc/98/81/95/607988195.db2.gz XTDHLLAPJUNDGC-UHFFFAOYSA-N -1 1 296.319 1.456 20 0 CDADMM Cc1cccc(OCCNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826300548 607988608 /nfs/dbraw/zinc/98/86/08/607988608.db2.gz YUIXUWCDHAPFAM-UHFFFAOYSA-N -1 1 297.322 1.456 20 0 CDADMM Cc1cccc(OCCNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826300548 607988609 /nfs/dbraw/zinc/98/86/09/607988609.db2.gz YUIXUWCDHAPFAM-UHFFFAOYSA-N -1 1 297.322 1.456 20 0 CDADMM Cc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1F ZINC000826288782 607988617 /nfs/dbraw/zinc/98/86/17/607988617.db2.gz WNHPFOYSYBLDGT-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1F ZINC000826288782 607988618 /nfs/dbraw/zinc/98/86/18/607988618.db2.gz WNHPFOYSYBLDGT-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM COc1ccc(OCCn2ccnc2-c2nnn[n-]2)cc1 ZINC000826211404 608013308 /nfs/dbraw/zinc/01/33/08/608013308.db2.gz BFHXCEQRCTWUAK-UHFFFAOYSA-N -1 1 286.295 1.151 20 0 CDADMM COc1ccc(OCCn2ccnc2-c2nn[n-]n2)cc1 ZINC000826211404 608013309 /nfs/dbraw/zinc/01/33/09/608013309.db2.gz BFHXCEQRCTWUAK-UHFFFAOYSA-N -1 1 286.295 1.151 20 0 CDADMM C[C@@H]1CC[C@@H](COC(=O)c2sccc2-c2nn[n-]n2)O1 ZINC000824908344 608076101 /nfs/dbraw/zinc/07/61/01/608076101.db2.gz OBICAASKXZAGBJ-SFYZADRCSA-N -1 1 294.336 1.653 20 0 CDADMM CN(CC(C)(C)O)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825897223 608122924 /nfs/dbraw/zinc/12/29/24/608122924.db2.gz DUBIFLPTGMAJHS-UHFFFAOYSA-N -1 1 288.764 1.184 20 0 CDADMM CN(CC(C)(C)O)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825897223 608122925 /nfs/dbraw/zinc/12/29/25/608122925.db2.gz DUBIFLPTGMAJHS-UHFFFAOYSA-N -1 1 288.764 1.184 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H]1C ZINC000824946226 608312628 /nfs/dbraw/zinc/31/26/28/608312628.db2.gz ISEYNXXCGNYTOL-VHSXEESVSA-N -1 1 286.339 1.380 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H]1C ZINC000824946226 608312630 /nfs/dbraw/zinc/31/26/30/608312630.db2.gz ISEYNXXCGNYTOL-VHSXEESVSA-N -1 1 286.339 1.380 20 0 CDADMM CC(C)n1cc([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC000824655730 608417501 /nfs/dbraw/zinc/41/75/01/608417501.db2.gz FMRONKKJUYBIKA-SECBINFHSA-N -1 1 299.342 1.607 20 0 CDADMM CC(C)n1cc([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC000824655730 608417503 /nfs/dbraw/zinc/41/75/03/608417503.db2.gz FMRONKKJUYBIKA-SECBINFHSA-N -1 1 299.342 1.607 20 0 CDADMM CC[C@@H](C)n1nc(Nc2ccc(-c3nnn[n-]3)nn2)cc1C ZINC000825081647 608587315 /nfs/dbraw/zinc/58/73/15/608587315.db2.gz LJHNIBANCLHYKC-MRVPVSSYSA-N -1 1 299.342 1.876 20 0 CDADMM CC[C@@H](C)n1nc(Nc2ccc(-c3nn[n-]n3)nn2)cc1C ZINC000825081647 608587316 /nfs/dbraw/zinc/58/73/16/608587316.db2.gz LJHNIBANCLHYKC-MRVPVSSYSA-N -1 1 299.342 1.876 20 0 CDADMM COC[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000821682840 608797473 /nfs/dbraw/zinc/79/74/73/608797473.db2.gz OSGFSUHRKVMTEL-SCSAIBSYSA-N -1 1 274.737 1.423 20 0 CDADMM COC[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000821682840 608797469 /nfs/dbraw/zinc/79/74/69/608797469.db2.gz OSGFSUHRKVMTEL-SCSAIBSYSA-N -1 1 274.737 1.423 20 0 CDADMM Fc1ccc(Cn2ccnc2-c2nnn[n-]2)c(F)c1 ZINC000826374600 608890994 /nfs/dbraw/zinc/89/09/94/608890994.db2.gz FJYLXOUBHBOWFR-UHFFFAOYSA-N -1 1 262.223 1.390 20 0 CDADMM Fc1ccc(Cn2ccnc2-c2nn[n-]n2)c(F)c1 ZINC000826374600 608890995 /nfs/dbraw/zinc/89/09/95/608890995.db2.gz FJYLXOUBHBOWFR-UHFFFAOYSA-N -1 1 262.223 1.390 20 0 CDADMM COc1ccc(OC)c(Cn2ccnc2-c2nnn[n-]2)c1 ZINC000826210830 608892328 /nfs/dbraw/zinc/89/23/28/608892328.db2.gz GMAWGUZDOXFQKT-UHFFFAOYSA-N -1 1 286.295 1.129 20 0 CDADMM COc1ccc(OC)c(Cn2ccnc2-c2nn[n-]n2)c1 ZINC000826210830 608892329 /nfs/dbraw/zinc/89/23/29/608892329.db2.gz GMAWGUZDOXFQKT-UHFFFAOYSA-N -1 1 286.295 1.129 20 0 CDADMM COCc1cccc(Cn2ccnc2-c2nnn[n-]2)c1 ZINC000826164689 608892507 /nfs/dbraw/zinc/89/25/07/608892507.db2.gz LAJPZVBNOJBGDF-UHFFFAOYSA-N -1 1 270.296 1.258 20 0 CDADMM COCc1cccc(Cn2ccnc2-c2nn[n-]n2)c1 ZINC000826164689 608892510 /nfs/dbraw/zinc/89/25/10/608892510.db2.gz LAJPZVBNOJBGDF-UHFFFAOYSA-N -1 1 270.296 1.258 20 0 CDADMM c1cc(CS[C@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC000826516699 609527203 /nfs/dbraw/zinc/52/72/03/609527203.db2.gz WVBJQQPUAKZQMJ-JTQLQIEISA-N -1 1 277.353 1.674 20 0 CDADMM c1cc(CS[C@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC000826516699 609527205 /nfs/dbraw/zinc/52/72/05/609527205.db2.gz WVBJQQPUAKZQMJ-JTQLQIEISA-N -1 1 277.353 1.674 20 0 CDADMM C[C@H](O)[C@@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000824690215 609569430 /nfs/dbraw/zinc/56/94/30/609569430.db2.gz QXNABOZDQNKCFT-JGVFFNPUSA-N -1 1 294.746 1.122 20 0 CDADMM C[C@H](O)[C@@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000824690215 609569432 /nfs/dbraw/zinc/56/94/32/609569432.db2.gz QXNABOZDQNKCFT-JGVFFNPUSA-N -1 1 294.746 1.122 20 0 CDADMM C[C@@H]1OCC[C@@]1(C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825014300 609604906 /nfs/dbraw/zinc/60/49/06/609604906.db2.gz VKYLKZMCKZUUOT-JVXZTZIISA-N -1 1 293.352 1.226 20 0 CDADMM C[C@@H]1OCC[C@@]1(C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825014300 609604908 /nfs/dbraw/zinc/60/49/08/609604908.db2.gz VKYLKZMCKZUUOT-JVXZTZIISA-N -1 1 293.352 1.226 20 0 CDADMM O=C(c1c([O-])cccc1Cl)N1CC[C@H](O)[C@@H](F)C1 ZINC000890690381 617277538 /nfs/dbraw/zinc/27/75/38/617277538.db2.gz DTGXPCVEFQIGLB-IUCAKERBSA-N -1 1 273.691 1.591 20 0 CDADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H](O)[C@@H](F)C1 ZINC000890707951 617292437 /nfs/dbraw/zinc/29/24/37/617292437.db2.gz WZLDJVHWRQWQPZ-GXSJLCMTSA-N -1 1 273.691 1.591 20 0 CDADMM CCOC(=O)C1CCN(c2cc(=O)[n-]c(COC)n2)CC1 ZINC000891409439 617386089 /nfs/dbraw/zinc/38/60/89/617386089.db2.gz PLENLPSENZAFNF-UHFFFAOYSA-N -1 1 295.339 1.108 20 0 CDADMM CC[C@@H](C)[C@](C)(O)CNc1cc(=O)[n-]c(COC)n1 ZINC000892501391 617437685 /nfs/dbraw/zinc/43/76/85/617437685.db2.gz IEIDUKWSXHDJSZ-NOZJJQNGSA-N -1 1 269.345 1.538 20 0 CDADMM CC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000946337558 613975471 /nfs/dbraw/zinc/97/54/71/613975471.db2.gz ZVCPAXTXXNYBJJ-VXGBXAGGSA-N -1 1 291.351 1.212 20 0 CDADMM COCc1nc(NC[C@]2(C)CCOC2)cc(=O)[n-]1 ZINC000892509898 617451971 /nfs/dbraw/zinc/45/19/71/617451971.db2.gz DOXUZYPPAYWXFQ-LBPRGKRZSA-N -1 1 253.302 1.167 20 0 CDADMM COC(=O)[C@@H](C)SCCC[N-]C(=O)C(F)(F)F ZINC000154462328 617456679 /nfs/dbraw/zinc/45/66/79/617456679.db2.gz IHKUELXVEFLKRS-ZCFIWIBFSA-N -1 1 273.276 1.350 20 0 CDADMM COCc1nc(NCCCOC[C@H]2CCCO2)cc(=O)[n-]1 ZINC000891597374 617498103 /nfs/dbraw/zinc/49/81/03/617498103.db2.gz HPKJJPCHIQRRMH-LLVKDONJSA-N -1 1 297.355 1.326 20 0 CDADMM CCCC(=O)N1CC[C@@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000936412437 614788504 /nfs/dbraw/zinc/78/85/04/614788504.db2.gz WKSHBOSQYPZOMO-LLVKDONJSA-N -1 1 291.351 1.260 20 0 CDADMM CO[C@@H](C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891623112 617509213 /nfs/dbraw/zinc/50/92/13/617509213.db2.gz GWUWASSLTLZTQB-ZETCQYMHSA-N -1 1 251.286 1.034 20 0 CDADMM CC[C@@H](OC)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891625209 617511257 /nfs/dbraw/zinc/51/12/57/617511257.db2.gz XEFPPPHFTBQYGE-SNVBAGLBSA-N -1 1 265.313 1.425 20 0 CDADMM CCCS(=O)(=O)[N-]C(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC000892708700 617619450 /nfs/dbraw/zinc/61/94/50/617619450.db2.gz LBHFNMZGXWBERV-QMMMGPOBSA-N -1 1 285.369 1.004 20 0 CDADMM CC[S@@](C)(=O)=NC([O-])=C(C)C(=O)OC(C)(C)C ZINC000925824014 617799443 /nfs/dbraw/zinc/79/94/43/617799443.db2.gz ZKWMWWSYMMYWNB-CQLKUDPESA-N -1 1 263.359 1.609 20 0 CDADMM CCCCC[C@H](NC(=O)Cc1cnc[nH]1)C(=O)[O-] ZINC000909342464 617805764 /nfs/dbraw/zinc/80/57/64/617805764.db2.gz NBMZHQIVRFRCJT-JTQLQIEISA-N -1 1 253.302 1.102 20 0 CDADMM COCc1nc(N[C@H](C)C[C@H]2CCOC2)cc(=O)[n-]1 ZINC000892910495 617892308 /nfs/dbraw/zinc/89/23/08/617892308.db2.gz DDPXTIZPVBDHMT-NXEZZACHSA-N -1 1 267.329 1.556 20 0 CDADMM COCc1nc(N[C@H]2CCOC(C)(C)C2)cc(=O)[n-]1 ZINC000892969951 618003698 /nfs/dbraw/zinc/00/36/98/618003698.db2.gz AFMWHYDQVVFJQY-VIFPVBQESA-N -1 1 267.329 1.698 20 0 CDADMM COCc1nc(N2CCOC[C@H](C3CCC3)C2)cc(=O)[n-]1 ZINC000893963265 618210659 /nfs/dbraw/zinc/21/06/59/618210659.db2.gz CWGOBJCUWXXMQF-GFCCVEGCSA-N -1 1 293.367 1.582 20 0 CDADMM COCc1nc(NCc2cn3c(cccc3C)n2)cc(=O)[n-]1 ZINC000892447619 618214202 /nfs/dbraw/zinc/21/42/02/618214202.db2.gz SGWZSNBYUIXRHU-UHFFFAOYSA-N -1 1 299.334 1.897 20 0 CDADMM Cc1cc([C@@H](NCc2cncn2C)C(=O)[O-])ccc1F ZINC000901844852 618309313 /nfs/dbraw/zinc/30/93/13/618309313.db2.gz XNPPBKFNMRPCES-CYBMUJFWSA-N -1 1 277.299 1.783 20 0 CDADMM Cc1cc([C@@H](NCc2cnn(C)c2)C(=O)[O-])ccc1F ZINC000901845054 618309654 /nfs/dbraw/zinc/30/96/54/618309654.db2.gz OYAXSZAUZBTGRG-CYBMUJFWSA-N -1 1 277.299 1.783 20 0 CDADMM CC[C@H](C)C[C@@H](NC(=O)[C@H]1CCCCN1C)C(=O)[O-] ZINC000910908482 618565788 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LGMONRADRZKFBF-NWDGAFQWSA-N -1 1 293.334 1.933 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2C[C@H]2c2ccccc2)n1 ZINC001605572700 1163613265 /nfs/dbraw/zinc/61/32/65/1163613265.db2.gz LGMONRADRZKFBF-NWDGAFQWSA-N -1 1 293.334 1.933 20 0 CDADMM CCOCCOCCN(C)Cc1cncc(C(=O)[O-])c1 ZINC001605639934 1163632302 /nfs/dbraw/zinc/63/23/02/1163632302.db2.gz XQJABIVYBMNZOR-UHFFFAOYSA-N -1 1 282.340 1.265 20 0 CDADMM Cc1cc(C)cc(CN(C)c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001605646522 1163633823 /nfs/dbraw/zinc/63/38/23/1163633823.db2.gz TYSBBJLYTBLWNL-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1cc(C)cc(CN(C)c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001605646522 1163633827 /nfs/dbraw/zinc/63/38/27/1163633827.db2.gz TYSBBJLYTBLWNL-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM CCOc1cccc(F)c1CN1CC[C@@](O)(C(=O)[O-])C1 ZINC001605707962 1163648479 /nfs/dbraw/zinc/64/84/79/1163648479.db2.gz XLRBPBLABODBKI-AWEZNQCLSA-N -1 1 283.299 1.246 20 0 CDADMM Cc1cc(NC[C@@H]2CCC[C@H](O)C2)nc(-c2nnn[n-]2)c1 ZINC001605732051 1163654227 /nfs/dbraw/zinc/65/42/27/1163654227.db2.gz TUJGRYMVHGCIRP-MNOVXSKESA-N -1 1 288.355 1.533 20 0 CDADMM Cc1cc(NC[C@@H]2CCC[C@H](O)C2)nc(-c2nn[n-]n2)c1 ZINC001605732051 1163654231 /nfs/dbraw/zinc/65/42/31/1163654231.db2.gz TUJGRYMVHGCIRP-MNOVXSKESA-N -1 1 288.355 1.533 20 0 CDADMM CCc1[nH]c(CNC[C@H](O)C(F)(F)F)cc1C(=O)[O-] ZINC001605775102 1163667926 /nfs/dbraw/zinc/66/79/26/1163667926.db2.gz SCEZVZCTSQRBBJ-VIFPVBQESA-N -1 1 280.246 1.288 20 0 CDADMM CCc1cc(=O)[n-]c(C[NH2+][C@@](C)(CCF)C(=O)[O-])n1 ZINC001605800385 1163672871 /nfs/dbraw/zinc/67/28/71/1163672871.db2.gz TZHLXSBJIDTUDU-LBPRGKRZSA-N -1 1 271.292 1.037 20 0 CDADMM Cc1ccc(-c2nnn[n-]2)nc1N1CC[C@H](C)[C@@H](F)C1 ZINC001605802649 1163675104 /nfs/dbraw/zinc/67/51/04/1163675104.db2.gz AKFFPIJNQZRIAQ-WPRPVWTQSA-N -1 1 276.319 1.754 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@H](C)[C@@H](F)C1 ZINC001605802649 1163675110 /nfs/dbraw/zinc/67/51/10/1163675110.db2.gz AKFFPIJNQZRIAQ-WPRPVWTQSA-N -1 1 276.319 1.754 20 0 CDADMM Cc1ccc(CN(c2cc(-c3nnn[n-]3)ncn2)C2CC2)o1 ZINC001605849394 1163690768 /nfs/dbraw/zinc/69/07/68/1163690768.db2.gz SNHVQLIQTAYOHK-UHFFFAOYSA-N -1 1 297.322 1.727 20 0 CDADMM Cc1ccc(CN(c2cc(-c3nn[n-]n3)ncn2)C2CC2)o1 ZINC001605849394 1163690774 /nfs/dbraw/zinc/69/07/74/1163690774.db2.gz SNHVQLIQTAYOHK-UHFFFAOYSA-N -1 1 297.322 1.727 20 0 CDADMM Cc1ccc(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001605854871 1163692115 /nfs/dbraw/zinc/69/21/15/1163692115.db2.gz YENOPAPVRKRLBX-UHFFFAOYSA-N -1 1 294.318 1.500 20 0 CDADMM Cc1ccc(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001605854871 1163692121 /nfs/dbraw/zinc/69/21/21/1163692121.db2.gz YENOPAPVRKRLBX-UHFFFAOYSA-N -1 1 294.318 1.500 20 0 CDADMM CCc1nc(NC(=O)Cc2cnc[nH]2)sc1C(=O)[O-] ZINC001605855010 1163692189 /nfs/dbraw/zinc/69/21/89/1163692189.db2.gz LSWUSDQBOMYSET-UHFFFAOYSA-N -1 1 280.309 1.308 20 0 CDADMM Cc1ccc(N2[C@H](C)CC[C@@H]2C)nc1-c1nnn[n-]1 ZINC001605864539 1163696845 /nfs/dbraw/zinc/69/68/45/1163696845.db2.gz HXANLTJHQLIISO-AOOOYVTPSA-N -1 1 258.329 1.947 20 0 CDADMM Cc1ccc(N2[C@H](C)CC[C@@H]2C)nc1-c1nn[n-]n1 ZINC001605864539 1163696848 /nfs/dbraw/zinc/69/68/48/1163696848.db2.gz HXANLTJHQLIISO-AOOOYVTPSA-N -1 1 258.329 1.947 20 0 CDADMM Cc1ccc(N[C@H](C)Cc2cnn(C)c2)c(-c2nnn[n-]2)n1 ZINC001605871935 1163699229 /nfs/dbraw/zinc/69/92/29/1163699229.db2.gz OGMDZMYTGXPQQL-SNVBAGLBSA-N -1 1 298.354 1.347 20 0 CDADMM Cc1ccc(N[C@H](C)Cc2cnn(C)c2)c(-c2nn[n-]n2)n1 ZINC001605871935 1163699235 /nfs/dbraw/zinc/69/92/35/1163699235.db2.gz OGMDZMYTGXPQQL-SNVBAGLBSA-N -1 1 298.354 1.347 20 0 CDADMM Cc1ccc(N[C@@H](C)C[C@@H](C)O)nc1-c1nnn[n-]1 ZINC001605871183 1163700775 /nfs/dbraw/zinc/70/07/75/1163700775.db2.gz BTVPLRIHXJGUEC-DTWKUNHWSA-N -1 1 262.317 1.141 20 0 CDADMM Cc1ccc(N[C@@H](C)C[C@@H](C)O)nc1-c1nn[n-]n1 ZINC001605871183 1163700782 /nfs/dbraw/zinc/70/07/82/1163700782.db2.gz BTVPLRIHXJGUEC-DTWKUNHWSA-N -1 1 262.317 1.141 20 0 CDADMM Cc1ccoc1CN(C)c1ccnc(-c2nnn[n-]2)c1 ZINC001605965326 1163729215 /nfs/dbraw/zinc/72/92/15/1163729215.db2.gz MCKUEUPYOFYKKX-UHFFFAOYSA-N -1 1 270.296 1.800 20 0 CDADMM Cc1ccoc1CN(C)c1ccnc(-c2nn[n-]n2)c1 ZINC001605965326 1163729221 /nfs/dbraw/zinc/72/92/21/1163729221.db2.gz MCKUEUPYOFYKKX-UHFFFAOYSA-N -1 1 270.296 1.800 20 0 CDADMM CN(C(=O)c1ccc(C(=O)[O-])n1C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC001605981785 1163734987 /nfs/dbraw/zinc/73/49/87/1163734987.db2.gz OCXAZTONLRBSRD-LLVKDONJSA-N -1 1 291.351 1.032 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(CCc2c(C)noc2C)c1C ZINC001606130309 1163782717 /nfs/dbraw/zinc/78/27/17/1163782717.db2.gz UOMUSBMUMKMKSG-UHFFFAOYSA-N -1 1 287.327 1.528 20 0 CDADMM Cc1noc(C)c1CCn1c(C)c(C)nc1-c1nn[n-]n1 ZINC001606130309 1163782723 /nfs/dbraw/zinc/78/27/23/1163782723.db2.gz UOMUSBMUMKMKSG-UHFFFAOYSA-N -1 1 287.327 1.528 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)Cc1ccccn1 ZINC001606165296 1163794294 /nfs/dbraw/zinc/79/42/94/1163794294.db2.gz PXVHJFVKSIIFPP-UHFFFAOYSA-N -1 1 298.306 1.435 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)Cc1ccccn1 ZINC001606165296 1163794300 /nfs/dbraw/zinc/79/43/00/1163794300.db2.gz PXVHJFVKSIIFPP-UHFFFAOYSA-N -1 1 298.306 1.435 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1ccno1 ZINC001606170625 1163797651 /nfs/dbraw/zinc/79/76/51/1163797651.db2.gz KZOREIRKRYIQOG-UHFFFAOYSA-N -1 1 275.224 1.113 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1ccno1 ZINC001606170625 1163797656 /nfs/dbraw/zinc/79/76/56/1163797656.db2.gz KZOREIRKRYIQOG-UHFFFAOYSA-N -1 1 275.224 1.113 20 0 CDADMM O=C(N[C@H]1CC12CC2)c1cccc(F)c1-c1nnn[n-]1 ZINC001606653290 1163947821 /nfs/dbraw/zinc/94/78/21/1163947821.db2.gz COCWCUTWAMMTSU-VIFPVBQESA-N -1 1 273.271 1.288 20 0 CDADMM O=C(N[C@H]1CC12CC2)c1cccc(F)c1-c1nn[n-]n1 ZINC001606653290 1163947823 /nfs/dbraw/zinc/94/78/23/1163947823.db2.gz COCWCUTWAMMTSU-VIFPVBQESA-N -1 1 273.271 1.288 20 0 CDADMM O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1ccsc1-c1nnn[n-]1 ZINC001606654981 1163947888 /nfs/dbraw/zinc/94/78/88/1163947888.db2.gz AYWYTBLVELBVTB-KHQFGBGNSA-N -1 1 289.364 1.847 20 0 CDADMM O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1ccsc1-c1nn[n-]n1 ZINC001606654981 1163947891 /nfs/dbraw/zinc/94/78/91/1163947891.db2.gz AYWYTBLVELBVTB-KHQFGBGNSA-N -1 1 289.364 1.847 20 0 CDADMM CO[C@@H](CNCc1cc(C(=O)[O-])c(C)n1C)C(F)(F)F ZINC001606680467 1163959622 /nfs/dbraw/zinc/95/96/22/1163959622.db2.gz RVQYZSWNZHBXPR-JTQLQIEISA-N -1 1 294.273 1.699 20 0 CDADMM O=C(NCCC1CC1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001606760269 1163984723 /nfs/dbraw/zinc/98/47/23/1163984723.db2.gz DHWHYERSHILKFN-UHFFFAOYSA-N -1 1 292.368 1.528 20 0 CDADMM COCc1cc(CN[C@@H](C[C@H]2CCCOC2)C(=O)[O-])no1 ZINC001606941576 1164034743 /nfs/dbraw/zinc/03/47/43/1164034743.db2.gz JIXJHXFERNSYHS-MFKMUULPSA-N -1 1 298.339 1.181 20 0 CDADMM O=C(OCC[C@@H]1CC1(F)F)c1cccc(-c2nnn[n-]2)n1 ZINC001606968792 1164043552 /nfs/dbraw/zinc/04/35/52/1164043552.db2.gz QKJNIKIZDWICKU-SSDOTTSWSA-N -1 1 295.249 1.464 20 0 CDADMM O=C(OCC[C@@H]1CC1(F)F)c1cccc(-c2nn[n-]n2)n1 ZINC001606968792 1164043563 /nfs/dbraw/zinc/04/35/63/1164043563.db2.gz QKJNIKIZDWICKU-SSDOTTSWSA-N -1 1 295.249 1.464 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCCS1 ZINC001606979448 1164047327 /nfs/dbraw/zinc/04/73/27/1164047327.db2.gz ZTRKGVIARQBPGT-VIFPVBQESA-N -1 1 296.377 1.867 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC12CCCC2 ZINC001607017156 1164061569 /nfs/dbraw/zinc/06/15/69/1164061569.db2.gz MEITTXQRQAOSNZ-UHFFFAOYSA-N -1 1 284.323 1.420 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC12CCCC2 ZINC001607017156 1164061574 /nfs/dbraw/zinc/06/15/74/1164061574.db2.gz MEITTXQRQAOSNZ-UHFFFAOYSA-N -1 1 284.323 1.420 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC(C2CC2)CC1 ZINC001607021371 1164062518 /nfs/dbraw/zinc/06/25/18/1164062518.db2.gz OQOIUBXYHMLKDJ-UHFFFAOYSA-N -1 1 298.350 1.524 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC(C2CC2)CC1 ZINC001607021371 1164062524 /nfs/dbraw/zinc/06/25/24/1164062524.db2.gz OQOIUBXYHMLKDJ-UHFFFAOYSA-N -1 1 298.350 1.524 20 0 CDADMM COc1cc(C(=O)[O-])cc(NC(=O)c2cn[nH]c2C)c1O ZINC001607103593 1164083562 /nfs/dbraw/zinc/08/35/62/1164083562.db2.gz MIPDGSGDYYDRJN-UHFFFAOYSA-N -1 1 291.263 1.383 20 0 CDADMM OCc1cccc(Sc2nccnc2-c2nn[n-]n2)c1 ZINC001607108802 1164090876 /nfs/dbraw/zinc/09/08/76/1164090876.db2.gz YKOFBKCVNJLDJP-UHFFFAOYSA-N -1 1 286.320 1.300 20 0 CDADMM c1cnc2c(c1)CN(c1cccc(-c3nnn[n-]3)n1)C2 ZINC001607116821 1164095987 /nfs/dbraw/zinc/09/59/87/1164095987.db2.gz VLQNGNGVRBNYKD-UHFFFAOYSA-N -1 1 265.280 1.177 20 0 CDADMM c1cnc2c(c1)CN(c1cccc(-c3nn[n-]n3)n1)C2 ZINC001607116821 1164095993 /nfs/dbraw/zinc/09/59/93/1164095993.db2.gz VLQNGNGVRBNYKD-UHFFFAOYSA-N -1 1 265.280 1.177 20 0 CDADMM c1ccc(C[C@@H]2C[C@H]2Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001607129616 1164109386 /nfs/dbraw/zinc/10/93/86/1164109386.db2.gz MRSQPYAQQUPZFO-VXGBXAGGSA-N -1 1 293.334 1.122 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2C[C@H](C3CC3)[C@@H]2C2CC2)n1 ZINC001607136618 1164116406 /nfs/dbraw/zinc/11/64/06/1164116406.db2.gz MBOHUDIWAILXRS-MFKMUULPSA-N -1 1 283.339 1.282 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2C[C@H](C3CC3)[C@@H]2C2CC2)n1 ZINC001607136618 1164116409 /nfs/dbraw/zinc/11/64/09/1164116409.db2.gz MBOHUDIWAILXRS-MFKMUULPSA-N -1 1 283.339 1.282 20 0 CDADMM c1cncc([C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001607136344 1164116415 /nfs/dbraw/zinc/11/64/15/1164116415.db2.gz WAEKAVWDQSXUAA-LLVKDONJSA-N -1 1 294.322 1.393 20 0 CDADMM COc1ccc(CCn2[nH]c(C)c(CC(=O)[O-])c2=O)cc1 ZINC001607248185 1164136570 /nfs/dbraw/zinc/13/65/70/1164136570.db2.gz MUMFZGAZKZZJPZ-ZDUSSCGKSA-N -1 1 290.319 1.547 20 0 CDADMM CS(=O)(=O)C[C@H]1CCCCN1CCCCC(=O)[O-] ZINC001607369278 1164160867 /nfs/dbraw/zinc/16/08/67/1164160867.db2.gz VOIGNNWKNHXSOU-LLVKDONJSA-N -1 1 277.386 1.140 20 0 CDADMM C[C@H](NC(=O)[C@H](C)N[C@H]1CCc2ccc(F)cc21)C(=O)[O-] ZINC001607460050 1164189877 /nfs/dbraw/zinc/18/98/77/1164189877.db2.gz QLBHQACZHKBAPS-RVBZMBCESA-N -1 1 294.326 1.380 20 0 CDADMM Cc1c(C(=O)[O-])cc(CN2CCSC[C@@H]2CCO)n1C ZINC001607510882 1164214982 /nfs/dbraw/zinc/21/49/82/1164214982.db2.gz BNMRGBAMQJWVBZ-NSHDSACASA-N -1 1 298.408 1.332 20 0 CDADMM CCN(C(=O)c1cccc([O-])c1F)c1cnn(C)c1 ZINC001143808946 1164245511 /nfs/dbraw/zinc/24/55/11/1164245511.db2.gz LYHWFGNZLRYSNP-UHFFFAOYSA-N -1 1 263.272 1.932 20 0 CDADMM Cc1cc(CN2CCC([C@@H](F)C(N)=O)CC2)oc1C(=O)[O-] ZINC001607637926 1164248878 /nfs/dbraw/zinc/24/88/78/1164248878.db2.gz JYPCMIRYEZJCAC-LLVKDONJSA-N -1 1 298.314 1.322 20 0 CDADMM Cc1cc(CN)oc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001607639461 1164249973 /nfs/dbraw/zinc/24/99/73/1164249973.db2.gz DADWHDSHLUMHIC-UHFFFAOYSA-N -1 1 288.303 1.675 20 0 CDADMM Cc1cc(COC(=O)[C@@H](C(C)C)N(C)C)oc1C(=O)[O-] ZINC001607652126 1164260410 /nfs/dbraw/zinc/26/04/10/1164260410.db2.gz QQTHYYWECKHWJU-LLVKDONJSA-N -1 1 283.324 1.916 20 0 CDADMM Cc1cc(N)nc(N2CCC[C@H](CCC(=O)[O-])C2)n1 ZINC001607669257 1164264519 /nfs/dbraw/zinc/26/45/19/1164264519.db2.gz JXLIRNZIJBJKQW-SNVBAGLBSA-N -1 1 264.329 1.448 20 0 CDADMM O=C([O-])c1csc(NC(=O)Cc2cnc[nH]2)c1 ZINC001608369916 1164496895 /nfs/dbraw/zinc/49/68/95/1164496895.db2.gz NAKLEJQWWWLZMS-UHFFFAOYSA-N -1 1 251.267 1.351 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)c1cc2[nH]cnc2cc1F ZINC001608460015 1164520764 /nfs/dbraw/zinc/52/07/64/1164520764.db2.gz LIMMIIRWKDIJRF-RNFRBKRXSA-N -1 1 277.255 1.153 20 0 CDADMM O=C([O-])[C@@H](N[C@@H]1CCCn2nccc21)c1cccnc1 ZINC001608546021 1164540946 /nfs/dbraw/zinc/54/09/46/1164540946.db2.gz HHNHKJMKIMOBLD-YPMHNXCESA-N -1 1 272.308 1.529 20 0 CDADMM O=C([O-])C1=CC[C@@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001608585854 1164557120 /nfs/dbraw/zinc/55/71/20/1164557120.db2.gz FWQDTTDLCVRWMA-SECBINFHSA-N -1 1 271.276 1.466 20 0 CDADMM O=C([O-])[C@H]1CCCC[C@@H]1CN1CCc2nn[nH]c2C1 ZINC001608624355 1164579574 /nfs/dbraw/zinc/57/95/74/1164579574.db2.gz GINFDNYEPBYMSX-ZJUUUORDSA-N -1 1 264.329 1.054 20 0 CDADMM O=C([O-])c1cncc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])c1 ZINC001608980744 1164703663 /nfs/dbraw/zinc/70/36/63/1164703663.db2.gz MUJSYSYSKOWVSI-NSHDSACASA-N -1 1 264.281 1.219 20 0 CDADMM CC(F)(F)CCCNc1cc(-c2nnn[n-]2)ncn1 ZINC001609116266 1164779133 /nfs/dbraw/zinc/77/91/33/1164779133.db2.gz FUMZLUBTUNVOEY-UHFFFAOYSA-N -1 1 269.259 1.504 20 0 CDADMM CC(F)(F)CCCNc1cc(-c2nn[n-]n2)ncn1 ZINC001609116266 1164779138 /nfs/dbraw/zinc/77/91/38/1164779138.db2.gz FUMZLUBTUNVOEY-UHFFFAOYSA-N -1 1 269.259 1.504 20 0 CDADMM CC1(C)C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)O1 ZINC001609144289 1164792643 /nfs/dbraw/zinc/79/26/43/1164792643.db2.gz PIRIOWGZEXMNMH-VIFPVBQESA-N -1 1 289.343 1.415 20 0 CDADMM CC1(C)C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)O1 ZINC001609144289 1164792649 /nfs/dbraw/zinc/79/26/49/1164792649.db2.gz PIRIOWGZEXMNMH-VIFPVBQESA-N -1 1 289.343 1.415 20 0 CDADMM CC[C@@H]1[C@H](C)CCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609199372 1164840031 /nfs/dbraw/zinc/84/00/31/1164840031.db2.gz VIUQUSAKEKXSNN-BXKDBHETSA-N -1 1 286.339 1.522 20 0 CDADMM CC[C@@H]1[C@H](C)CCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609199372 1164840037 /nfs/dbraw/zinc/84/00/37/1164840037.db2.gz VIUQUSAKEKXSNN-BXKDBHETSA-N -1 1 286.339 1.522 20 0 CDADMM CCOc1cccc(OS(=O)(=O)c2c[n-]nc2C)c1 ZINC000867664772 1164851724 /nfs/dbraw/zinc/85/17/24/1164851724.db2.gz HDLOFRUYCQFFBO-UHFFFAOYSA-N -1 1 282.321 1.885 20 0 CDADMM CCN(Cc1ccccn1)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609225471 1164855071 /nfs/dbraw/zinc/85/50/71/1164855071.db2.gz NPGPEBYLDUEBNT-UHFFFAOYSA-N -1 1 296.338 1.387 20 0 CDADMM CCN(Cc1ccccn1)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609225471 1164855076 /nfs/dbraw/zinc/85/50/76/1164855076.db2.gz NPGPEBYLDUEBNT-UHFFFAOYSA-N -1 1 296.338 1.387 20 0 CDADMM Cc1cc([C@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)no1 ZINC001609399560 1164929813 /nfs/dbraw/zinc/92/98/13/1164929813.db2.gz FSSMRJJTUFQDII-LLVKDONJSA-N -1 1 298.310 1.295 20 0 CDADMM Cc1cc([C@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)no1 ZINC001609399560 1164929817 /nfs/dbraw/zinc/92/98/17/1164929817.db2.gz FSSMRJJTUFQDII-LLVKDONJSA-N -1 1 298.310 1.295 20 0 CDADMM Cc1ccc(N2C[C@H](C)O[C@H](C)[C@@H]2C)nc1-c1nnn[n-]1 ZINC001609424828 1164940618 /nfs/dbraw/zinc/94/06/18/1164940618.db2.gz KARUQISTEYVVBK-GARJFASQSA-N -1 1 288.355 1.572 20 0 CDADMM Cc1ccc(N2C[C@H](C)O[C@H](C)[C@@H]2C)nc1-c1nn[n-]n1 ZINC001609424828 1164940625 /nfs/dbraw/zinc/94/06/25/1164940625.db2.gz KARUQISTEYVVBK-GARJFASQSA-N -1 1 288.355 1.572 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@@H](C)C[C@@H]1C ZINC001609466648 1164966033 /nfs/dbraw/zinc/96/60/33/1164966033.db2.gz FAILQQULAKMGPS-YUMQZZPRSA-N -1 1 275.312 1.639 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@@H](C)C[C@@H]1C ZINC001609466648 1164966036 /nfs/dbraw/zinc/96/60/36/1164966036.db2.gz FAILQQULAKMGPS-YUMQZZPRSA-N -1 1 275.312 1.639 20 0 CDADMM O=c1c(-c2nn[n-]n2)cncn1Cc1cccc(Cl)c1 ZINC001609604844 1165002367 /nfs/dbraw/zinc/00/23/67/1165002367.db2.gz SAGGNEZFBIWKSV-UHFFFAOYSA-N -1 1 288.698 1.125 20 0 CDADMM c1ccc([C@@H]2CCCN2c2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001609616647 1165013512 /nfs/dbraw/zinc/01/35/12/1165013512.db2.gz WVDHBKYUEARJPM-ZDUSSCGKSA-N -1 1 293.334 1.998 20 0 CDADMM c1ccc([C@@H]2CCCN2c2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001609616647 1165013513 /nfs/dbraw/zinc/01/35/13/1165013513.db2.gz WVDHBKYUEARJPM-ZDUSSCGKSA-N -1 1 293.334 1.998 20 0 CDADMM c1cncc([C@@H](Nc2cc(-c3nnn[n-]3)ncn2)C2CC2)c1 ZINC001609619517 1165015526 /nfs/dbraw/zinc/01/55/26/1165015526.db2.gz SMFZPFRBBOXLKM-ZDUSSCGKSA-N -1 1 294.322 1.615 20 0 CDADMM c1cncc([C@@H](Nc2cc(-c3nn[n-]n3)ncn2)C2CC2)c1 ZINC001609619517 1165015530 /nfs/dbraw/zinc/01/55/30/1165015530.db2.gz SMFZPFRBBOXLKM-ZDUSSCGKSA-N -1 1 294.322 1.615 20 0 CDADMM C[C@@H](N[C@@H](C(=O)[O-])C1CC1)C(=O)N(C)c1ccccc1 ZINC001609773967 1165074207 /nfs/dbraw/zinc/07/42/07/1165074207.db2.gz JBGKLUSRWCSOIE-ZWNOBZJWSA-N -1 1 276.336 1.491 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C1=CCCCC1 ZINC001609868138 1165122356 /nfs/dbraw/zinc/12/23/56/1165122356.db2.gz PUYGLVSVPUJGNC-GFCCVEGCSA-N -1 1 280.368 1.494 20 0 CDADMM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccsc1C(=O)[O-] ZINC001610635795 1165388586 /nfs/dbraw/zinc/38/85/86/1165388586.db2.gz XFSJXIYPQQNXAP-MIMYLULJSA-N -1 1 294.376 1.532 20 0 CDADMM O=C([O-])c1cccc(NC(=O)C[N@H+]2CC[C@@H](C3CC3)C2)n1 ZINC001610662943 1165399961 /nfs/dbraw/zinc/39/99/61/1165399961.db2.gz WIHMQMQSHLTEIW-LLVKDONJSA-N -1 1 289.335 1.450 20 0 CDADMM O=C([O-])c1cccc(NC(=O)CN2CC[C@@H](C3CC3)C2)n1 ZINC001610662943 1165399963 /nfs/dbraw/zinc/39/99/63/1165399963.db2.gz WIHMQMQSHLTEIW-LLVKDONJSA-N -1 1 289.335 1.450 20 0 CDADMM O=C([O-])[C@@H]1CC(=O)N(CN2CCC[C@H]2c2ccccc2)C1 ZINC001610735169 1165422826 /nfs/dbraw/zinc/42/28/26/1165422826.db2.gz NONVUDQVFXABAO-KGLIPLIRSA-N -1 1 288.347 1.714 20 0 CDADMM O=C([O-])c1ccc(CSc2cn[nH]n2)c(F)c1 ZINC001610829771 1165457714 /nfs/dbraw/zinc/45/77/14/1165457714.db2.gz ILPFCXGEUSFSAJ-UHFFFAOYSA-N -1 1 253.258 1.934 20 0 CDADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccnn1 ZINC001624326210 1165834035 /nfs/dbraw/zinc/83/40/35/1165834035.db2.gz LMBIHNWVKUDMIP-UHFFFAOYSA-N -1 1 281.275 1.825 20 0 CDADMM CSc1ncc(C(=O)NC2(C)CCCC2)c(=O)[n-]1 ZINC001626790466 1165958957 /nfs/dbraw/zinc/95/89/57/1165958957.db2.gz LGWOLBCHAWFEDF-UHFFFAOYSA-N -1 1 267.354 1.967 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2ccn(Cc3ccccn3)n2)c1[O-] ZINC001627738116 1166014977 /nfs/dbraw/zinc/01/49/77/1166014977.db2.gz UYIVURXJISKYIL-UHFFFAOYSA-N -1 1 298.306 1.316 20 0 CDADMM COc1c[nH]nc1NC(=O)c1ccc([O-])cc1F ZINC001631758853 1166302988 /nfs/dbraw/zinc/30/29/88/1166302988.db2.gz OTJICGIWIPKUCA-UHFFFAOYSA-N -1 1 251.217 1.515 20 0 CDADMM O=C(NCc1ccccc1-n1ccnc1)c1ccc([O-])cn1 ZINC001631866222 1166309138 /nfs/dbraw/zinc/30/91/38/1166309138.db2.gz ULLMJCQSJHSBQF-UHFFFAOYSA-N -1 1 294.314 1.903 20 0 CDADMM Cn1c(=O)oc2cc(NC(=O)c3ccc([O-])cn3)ccc21 ZINC001632282258 1166340593 /nfs/dbraw/zinc/34/05/93/1166340593.db2.gz BFMSKWLPYWHMHP-UHFFFAOYSA-N -1 1 285.259 1.484 20 0 CDADMM C[C@H]1C[C@H]1C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000095265573 1166616223 /nfs/dbraw/zinc/61/62/23/1166616223.db2.gz LZURQJBSVKMYFG-GZMMTYOYSA-N -1 1 273.296 1.373 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cn(C)nc1-c1ccncc1 ZINC001636802435 1166700204 /nfs/dbraw/zinc/70/02/04/1166700204.db2.gz QTSUQHUBEJAYEZ-UHFFFAOYSA-N -1 1 298.306 1.472 20 0 CDADMM O=C(c1ncccc1[O-])N1CC[C@H](CCCO)C1 ZINC001637930424 1166804397 /nfs/dbraw/zinc/80/43/97/1166804397.db2.gz KDIODPVXVCLGAH-JTQLQIEISA-N -1 1 250.298 1.022 20 0 CDADMM O=C(CCCc1nn[n-]n1)Nc1ccc2c(=O)cc[nH]c2c1 ZINC001638585046 1166856452 /nfs/dbraw/zinc/85/64/52/1166856452.db2.gz GILVAVVWDBZNQW-UHFFFAOYSA-N -1 1 298.306 1.003 20 0 CDADMM CCc1c(C(=O)Nc2c[n-][nH]c2=O)cnn1-c1ccccn1 ZINC001641598158 1167123308 /nfs/dbraw/zinc/12/33/08/1167123308.db2.gz MJIIUMQCBFSMKR-UHFFFAOYSA-N -1 1 298.306 1.511 20 0 CDADMM Cc1c(C(=O)Nc2cc([O-])c(F)cc2F)nnn1C ZINC001642154785 1167157575 /nfs/dbraw/zinc/15/75/75/1167157575.db2.gz QRNBNLJGAJLRSO-UHFFFAOYSA-N -1 1 268.223 1.360 20 0 CDADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CO[C@H](C)C1 ZINC001647246544 1168487579 /nfs/dbraw/zinc/48/75/79/1168487579.db2.gz JXFHZXHUHMQGIK-HTRCEHHLSA-N -1 1 283.353 1.120 20 0 CDADMM Cc1cc2nccc(NC(=O)c3ccc(O)cc3[O-])n2n1 ZINC001647727453 1169052796 /nfs/dbraw/zinc/05/27/96/1169052796.db2.gz QTECJDJZVKTHML-UHFFFAOYSA-N -1 1 284.275 1.701 20 0 CDADMM C[C@H]([NH2+]Cc1ccc(O)c(F)c1)c1nc(C(=O)[O-])n[n-]1 ZINC001573578721 1170697490 /nfs/dbraw/zinc/69/74/90/1170697490.db2.gz LDPMNDZMFZXGAK-LURJTMIESA-N -1 1 280.259 1.198 20 0 CDADMM Cc1n[nH]c(CN2CCCC[C@@]23CCCOC3)c1C(=O)[O-] ZINC001574112009 1170884226 /nfs/dbraw/zinc/88/42/26/1170884226.db2.gz FGBASLJOLNGOSG-HNNXBMFYSA-N -1 1 293.367 1.951 20 0 CDADMM Cc1n[nH]nc1C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C ZINC001574173341 1170905361 /nfs/dbraw/zinc/90/53/61/1170905361.db2.gz XPKGHFSSWAINSZ-NSHDSACASA-N -1 1 288.307 1.367 20 0 CDADMM O=C([O-])[C@@H]1[C@@H]2CCN(Cc3nnc4n3CCCCC4)C[C@@H]21 ZINC001574406061 1170975429 /nfs/dbraw/zinc/97/54/29/1170975429.db2.gz SMHLDNXSBXFQLQ-UHIISALHSA-N -1 1 290.367 1.157 20 0 CDADMM CCCO[N-]C(=O)[C@@H]1NCCOc2ccccc21 ZINC001577580048 1171697089 /nfs/dbraw/zinc/69/70/89/1171697089.db2.gz ZVBCJFSKPTXKFF-GFCCVEGCSA-N -1 1 250.298 1.168 20 0 CDADMM Cc1ccccc1CCC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001581259129 1172601457 /nfs/dbraw/zinc/60/14/57/1172601457.db2.gz MJFKJSZSEMNCPU-UHFFFAOYSA-N -1 1 297.322 1.470 20 0 CDADMM Cc1nn(C[C@@H]2C[C@H]3C=C[C@@H]2C3)c(=O)c(-c2nn[n-]n2)c1C ZINC001581603628 1172616915 /nfs/dbraw/zinc/61/69/15/1172616915.db2.gz CTLJMNGAYYQLPJ-TUAOUCFPSA-N -1 1 298.350 1.252 20 0 CDADMM O=C(Cc1cccs1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582158333 1172657387 /nfs/dbraw/zinc/65/73/87/1172657387.db2.gz VTOCXSYSEQMPSM-UHFFFAOYSA-N -1 1 286.320 1.504 20 0 CDADMM O=C(Cc1cccs1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582158333 1172657388 /nfs/dbraw/zinc/65/73/88/1172657388.db2.gz VTOCXSYSEQMPSM-UHFFFAOYSA-N -1 1 286.320 1.504 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1c(F)cccc1F ZINC001582630981 1172685305 /nfs/dbraw/zinc/68/53/05/1172685305.db2.gz VZNCQAQAQLVLPN-UHFFFAOYSA-N -1 1 291.221 1.120 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1c(F)cccc1F ZINC001582630981 1172685308 /nfs/dbraw/zinc/68/53/08/1172685308.db2.gz VZNCQAQAQLVLPN-UHFFFAOYSA-N -1 1 291.221 1.120 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001582820376 1172696320 /nfs/dbraw/zinc/69/63/20/1172696320.db2.gz AENTUMHLYABLFY-LPEHRKFASA-N -1 1 271.328 1.647 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001582820376 1172696326 /nfs/dbraw/zinc/69/63/26/1172696326.db2.gz AENTUMHLYABLFY-LPEHRKFASA-N -1 1 271.328 1.647 20 0 CDADMM C1=CC[C@@]2(CC1)CCCN(c1ncncc1-c1nn[n-]n1)C2 ZINC001588386329 1173055980 /nfs/dbraw/zinc/05/59/80/1173055980.db2.gz NXZAJYOOODQEFP-OAHLLOKOSA-N -1 1 297.366 1.983 20 0 CDADMM CC(=Cc1ccco1)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001588772722 1173105874 /nfs/dbraw/zinc/10/58/74/1173105874.db2.gz QPJUFDOVZNERRA-ALCCZGGFSA-N -1 1 285.267 1.225 20 0 CDADMM CC(C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CCC1 ZINC001589292389 1173134283 /nfs/dbraw/zinc/13/42/83/1173134283.db2.gz AUUPKTLNKWAGKT-UHFFFAOYSA-N -1 1 273.344 1.895 20 0 CDADMM CC(C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CCC1 ZINC001589292389 1173134285 /nfs/dbraw/zinc/13/42/85/1173134285.db2.gz AUUPKTLNKWAGKT-UHFFFAOYSA-N -1 1 273.344 1.895 20 0 CDADMM CC(C)[C@H](F)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001589466610 1173147251 /nfs/dbraw/zinc/14/72/51/1173147251.db2.gz JHVQXIMSTIOEGD-JTQLQIEISA-N -1 1 279.275 1.505 20 0 CDADMM CC(C)CC[C@](C)(O)CNc1cccnc1-c1nnn[n-]1 ZINC001589587984 1173160702 /nfs/dbraw/zinc/16/07/02/1173160702.db2.gz FWEDIZHICGNBGB-AWEZNQCLSA-N -1 1 290.371 1.861 20 0 CDADMM CC(C)CC[C@](C)(O)CNc1cccnc1-c1nn[n-]n1 ZINC001589587984 1173160705 /nfs/dbraw/zinc/16/07/05/1173160705.db2.gz FWEDIZHICGNBGB-AWEZNQCLSA-N -1 1 290.371 1.861 20 0 CDADMM CC(C)N(CCO)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001589692507 1173169264 /nfs/dbraw/zinc/16/92/64/1173169264.db2.gz LYGKCPUSEXBALL-UHFFFAOYSA-N -1 1 288.764 1.184 20 0 CDADMM CC(C)N(CCO)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589692507 1173169271 /nfs/dbraw/zinc/16/92/71/1173169271.db2.gz LYGKCPUSEXBALL-UHFFFAOYSA-N -1 1 288.764 1.184 20 0 CDADMM CC(C)SCC(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001589761262 1173173806 /nfs/dbraw/zinc/17/38/06/1173173806.db2.gz DFNXHHIEANXWIF-UHFFFAOYSA-N -1 1 293.352 1.447 20 0 CDADMM CC(C)SCC(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001589761262 1173173809 /nfs/dbraw/zinc/17/38/09/1173173809.db2.gz DFNXHHIEANXWIF-UHFFFAOYSA-N -1 1 293.352 1.447 20 0 CDADMM CC(C)c1cccc(Cn2cncc(-c3nn[n-]n3)c2=O)c1 ZINC001589771460 1173176831 /nfs/dbraw/zinc/17/68/31/1173176831.db2.gz PBSSDUXPMTWVIJ-UHFFFAOYSA-N -1 1 296.334 1.595 20 0 CDADMM CC(C)[C@@H]1C[C@H]1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589763354 1173177087 /nfs/dbraw/zinc/17/70/87/1173177087.db2.gz FMLHVPVDYISCMP-VHSXEESVSA-N -1 1 272.312 1.036 20 0 CDADMM CC(C)[C@@H]1C[C@H]1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589763354 1173177097 /nfs/dbraw/zinc/17/70/97/1173177097.db2.gz FMLHVPVDYISCMP-VHSXEESVSA-N -1 1 272.312 1.036 20 0 CDADMM C[C@H](COc1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001589887300 1173195998 /nfs/dbraw/zinc/19/59/98/1173195998.db2.gz ULJWKRPIENTXLN-SNVBAGLBSA-N -1 1 297.322 1.536 20 0 CDADMM C[C@H](COc1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001589887300 1173196002 /nfs/dbraw/zinc/19/60/02/1173196002.db2.gz ULJWKRPIENTXLN-SNVBAGLBSA-N -1 1 297.322 1.536 20 0 CDADMM C[C@H](Cc1ccccc1F)Nc1ncncc1-c1nn[n-]n1 ZINC001589900155 1173197188 /nfs/dbraw/zinc/19/71/88/1173197188.db2.gz VOUKHMBKCNQKPN-SECBINFHSA-N -1 1 299.313 1.839 20 0 CDADMM C[C@@H](Cc1ccccn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589901066 1173197341 /nfs/dbraw/zinc/19/73/41/1173197341.db2.gz HCYCEYIFEPSVPQ-VIFPVBQESA-N -1 1 282.311 1.095 20 0 CDADMM C[C@@H](Cc1ccccn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589901066 1173197343 /nfs/dbraw/zinc/19/73/43/1173197343.db2.gz HCYCEYIFEPSVPQ-VIFPVBQESA-N -1 1 282.311 1.095 20 0 CDADMM C[C@H](Cc1ccccn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589901064 1173197713 /nfs/dbraw/zinc/19/77/13/1173197713.db2.gz HCYCEYIFEPSVPQ-SECBINFHSA-N -1 1 282.311 1.095 20 0 CDADMM C[C@H](Cc1ccccn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589901064 1173197717 /nfs/dbraw/zinc/19/77/17/1173197717.db2.gz HCYCEYIFEPSVPQ-SECBINFHSA-N -1 1 282.311 1.095 20 0 CDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccnn1C ZINC001590010432 1173232768 /nfs/dbraw/zinc/23/27/68/1173232768.db2.gz QHYAVKFUACJTBT-SSDOTTSWSA-N -1 1 288.267 1.111 20 0 CDADMM CC1(C)[C@H](O)CCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001590078005 1173244986 /nfs/dbraw/zinc/24/49/86/1173244986.db2.gz SQUXZEBESMYEJD-MRVPVSSYSA-N -1 1 294.746 1.265 20 0 CDADMM CC1(C)[C@H](O)CCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001590078005 1173244987 /nfs/dbraw/zinc/24/49/87/1173244987.db2.gz SQUXZEBESMYEJD-MRVPVSSYSA-N -1 1 294.746 1.265 20 0 CDADMM C[C@@H]1CC(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC001590188635 1173283806 /nfs/dbraw/zinc/28/38/06/1173283806.db2.gz RZHRJVGAQHFTSK-YUMQZZPRSA-N -1 1 289.343 1.601 20 0 CDADMM C[C@@H]1CC(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC001590188635 1173283814 /nfs/dbraw/zinc/28/38/14/1173283814.db2.gz RZHRJVGAQHFTSK-YUMQZZPRSA-N -1 1 289.343 1.601 20 0 CDADMM C[C@H]1CC(F)(F)CCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001590190722 1173285107 /nfs/dbraw/zinc/28/51/07/1173285107.db2.gz CETWILGDCKWNOC-QMMMGPOBSA-N -1 1 280.282 1.886 20 0 CDADMM C[C@H]1CC(F)(F)CCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001590190722 1173285100 /nfs/dbraw/zinc/28/51/00/1173285100.db2.gz CETWILGDCKWNOC-QMMMGPOBSA-N -1 1 280.282 1.886 20 0 CDADMM C[C@@H]1CC(F)(F)CCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590193249 1173286618 /nfs/dbraw/zinc/28/66/18/1173286618.db2.gz OBCUXPRZNVVKJG-SSDOTTSWSA-N -1 1 297.265 1.720 20 0 CDADMM C[C@@H]1CC(F)(F)CCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590193249 1173286624 /nfs/dbraw/zinc/28/66/24/1173286624.db2.gz OBCUXPRZNVVKJG-SSDOTTSWSA-N -1 1 297.265 1.720 20 0 CDADMM C[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590261619 1173329459 /nfs/dbraw/zinc/32/94/59/1173329459.db2.gz PYJANUHYQGYDLN-SNVBAGLBSA-N -1 1 258.329 1.888 20 0 CDADMM C[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590261619 1173329466 /nfs/dbraw/zinc/32/94/66/1173329466.db2.gz PYJANUHYQGYDLN-SNVBAGLBSA-N -1 1 258.329 1.888 20 0 CDADMM CCC(C)(C)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590375503 1173380148 /nfs/dbraw/zinc/38/01/48/1173380148.db2.gz KYXPQIXFPRNYFR-UHFFFAOYSA-N -1 1 292.347 1.158 20 0 CDADMM CCC(C)(C)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590375503 1173380151 /nfs/dbraw/zinc/38/01/51/1173380151.db2.gz KYXPQIXFPRNYFR-UHFFFAOYSA-N -1 1 292.347 1.158 20 0 CDADMM CC[C@H](C)COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590410857 1173397337 /nfs/dbraw/zinc/39/73/37/1173397337.db2.gz SLKDRRVLPKXZBI-QMMMGPOBSA-N -1 1 261.285 1.465 20 0 CDADMM CC[C@H](C)COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590410857 1173397346 /nfs/dbraw/zinc/39/73/46/1173397346.db2.gz SLKDRRVLPKXZBI-QMMMGPOBSA-N -1 1 261.285 1.465 20 0 CDADMM CC[C@@H]1[C@H](C)CCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590503254 1173439180 /nfs/dbraw/zinc/43/91/80/1173439180.db2.gz YQHWPWNRFWGHLJ-LDYMZIIASA-N -1 1 273.344 1.590 20 0 CDADMM CC[C@@H]1[C@H](C)CCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590503254 1173439183 /nfs/dbraw/zinc/43/91/83/1173439183.db2.gz YQHWPWNRFWGHLJ-LDYMZIIASA-N -1 1 273.344 1.590 20 0 CDADMM CC[C@H]1CCC[C@H]1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590508170 1173442378 /nfs/dbraw/zinc/44/23/78/1173442378.db2.gz MOCYRHVCTAVNBW-VHSXEESVSA-N -1 1 273.344 1.956 20 0 CDADMM CC[C@H]1CCC[C@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590508170 1173442383 /nfs/dbraw/zinc/44/23/83/1173442383.db2.gz MOCYRHVCTAVNBW-VHSXEESVSA-N -1 1 273.344 1.956 20 0 CDADMM CCC1CN(C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)C1 ZINC001590520602 1173447953 /nfs/dbraw/zinc/44/79/53/1173447953.db2.gz IWSZJPRHFZOZMG-UHFFFAOYSA-N -1 1 293.277 1.627 20 0 CDADMM CCC1CN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)C1 ZINC001590520602 1173447963 /nfs/dbraw/zinc/44/79/63/1173447963.db2.gz IWSZJPRHFZOZMG-UHFFFAOYSA-N -1 1 293.277 1.627 20 0 CDADMM CC[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@@H](CC)O1 ZINC001590520819 1173449783 /nfs/dbraw/zinc/44/97/83/1173449783.db2.gz JIJYYMAQHYFQAY-GHMZBOCLSA-N -1 1 288.355 1.656 20 0 CDADMM CC[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@@H](CC)O1 ZINC001590520819 1173449785 /nfs/dbraw/zinc/44/97/85/1173449785.db2.gz JIJYYMAQHYFQAY-GHMZBOCLSA-N -1 1 288.355 1.656 20 0 CDADMM CCC/C=C\COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590570834 1173465948 /nfs/dbraw/zinc/46/59/48/1173465948.db2.gz QHMNCDYVGHXUGN-PLNGDYQASA-N -1 1 273.296 1.775 20 0 CDADMM CCC/C=C\COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590570834 1173465950 /nfs/dbraw/zinc/46/59/50/1173465950.db2.gz QHMNCDYVGHXUGN-PLNGDYQASA-N -1 1 273.296 1.775 20 0 CDADMM CCOC1(COC(=O)c2coc(-c3nnn[n-]3)c2)CCC1 ZINC001590786825 1173509830 /nfs/dbraw/zinc/50/98/30/1173509830.db2.gz VWKKRJUMOAAIMH-UHFFFAOYSA-N -1 1 292.295 1.576 20 0 CDADMM CCOC1(COC(=O)c2coc(-c3nn[n-]n3)c2)CCC1 ZINC001590786825 1173509837 /nfs/dbraw/zinc/50/98/37/1173509837.db2.gz VWKKRJUMOAAIMH-UHFFFAOYSA-N -1 1 292.295 1.576 20 0 CDADMM CCOCCn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001590816782 1173519869 /nfs/dbraw/zinc/51/98/69/1173519869.db2.gz CFQUHEVHHBGVEX-UHFFFAOYSA-N -1 1 285.311 1.162 20 0 CDADMM CCOc1ccccc1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001590855019 1173529215 /nfs/dbraw/zinc/52/92/15/1173529215.db2.gz NUUSUGVNSANESN-UHFFFAOYSA-N -1 1 297.322 1.089 20 0 CDADMM CCc1cc(CC)n(-c2oc(C)nc2-c2nn[n-]n2)n1 ZINC001590882164 1173535805 /nfs/dbraw/zinc/53/58/05/1173535805.db2.gz WUQCOQYURKHOOP-UHFFFAOYSA-N -1 1 273.300 1.474 20 0 CDADMM CCc1nc(N[C@@H](COC)C2CC2)cc(-c2nnn[n-]2)n1 ZINC001590915797 1173541860 /nfs/dbraw/zinc/54/18/60/1173541860.db2.gz LNBHDKSRXMMYIL-JTQLQIEISA-N -1 1 289.343 1.056 20 0 CDADMM CCc1nc(N[C@@H](COC)C2CC2)cc(-c2nn[n-]n2)n1 ZINC001590915797 1173541864 /nfs/dbraw/zinc/54/18/64/1173541864.db2.gz LNBHDKSRXMMYIL-JTQLQIEISA-N -1 1 289.343 1.056 20 0 CDADMM CCc1nc(N[C@@H]2C=CCCC2)cc(-c2nnn[n-]2)n1 ZINC001590917376 1173542233 /nfs/dbraw/zinc/54/22/33/1173542233.db2.gz NZBLSZPAAYAUSE-SECBINFHSA-N -1 1 271.328 1.740 20 0 CDADMM CCc1nc(N[C@@H]2C=CCCC2)cc(-c2nn[n-]n2)n1 ZINC001590917376 1173542238 /nfs/dbraw/zinc/54/22/38/1173542238.db2.gz NZBLSZPAAYAUSE-SECBINFHSA-N -1 1 271.328 1.740 20 0 CDADMM CCn1cc(NC(=O)c2ccsc2-c2nnn[n-]2)cn1 ZINC001590954878 1173549909 /nfs/dbraw/zinc/54/99/09/1173549909.db2.gz CZFKSILJFTVUJH-UHFFFAOYSA-N -1 1 289.324 1.397 20 0 CDADMM CCn1cc(NC(=O)c2ccsc2-c2nn[n-]n2)cn1 ZINC001590954878 1173549912 /nfs/dbraw/zinc/54/99/12/1173549912.db2.gz CZFKSILJFTVUJH-UHFFFAOYSA-N -1 1 289.324 1.397 20 0 CDADMM COC(=O)c1ccc(N(C)CC(C)C)c(-c2nnn[n-]2)n1 ZINC001591294019 1173599414 /nfs/dbraw/zinc/59/94/14/1173599414.db2.gz XAXXXYJSHUKHKH-UHFFFAOYSA-N -1 1 290.327 1.141 20 0 CDADMM COC(=O)c1ccc(N(C)CC(C)C)c(-c2nn[n-]n2)n1 ZINC001591294019 1173599419 /nfs/dbraw/zinc/59/94/19/1173599419.db2.gz XAXXXYJSHUKHKH-UHFFFAOYSA-N -1 1 290.327 1.141 20 0 CDADMM CO[C@H]([C@H](C)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001591326458 1173613843 /nfs/dbraw/zinc/61/38/43/1173613843.db2.gz LLDIIGMYULHNOW-QPUJVOFHSA-N -1 1 274.328 1.487 20 0 CDADMM CO[C@H]([C@H](C)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001591326458 1173613845 /nfs/dbraw/zinc/61/38/45/1173613845.db2.gz LLDIIGMYULHNOW-QPUJVOFHSA-N -1 1 274.328 1.487 20 0 CDADMM COC1(OC)CC(CNc2cccnc2-c2nnn[n-]2)C1 ZINC001591346605 1173620831 /nfs/dbraw/zinc/62/08/31/1173620831.db2.gz NCYOZMRXJKBPCK-UHFFFAOYSA-N -1 1 290.327 1.073 20 0 CDADMM COC1(OC)CC(CNc2cccnc2-c2nn[n-]n2)C1 ZINC001591346605 1173620835 /nfs/dbraw/zinc/62/08/35/1173620835.db2.gz NCYOZMRXJKBPCK-UHFFFAOYSA-N -1 1 290.327 1.073 20 0 CDADMM COC1CCC(Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001591352578 1173626000 /nfs/dbraw/zinc/62/60/00/1173626000.db2.gz YOIGFCJGAZNNNI-UHFFFAOYSA-N -1 1 289.343 1.335 20 0 CDADMM COC1CCC(Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001591352578 1173626007 /nfs/dbraw/zinc/62/60/07/1173626007.db2.gz YOIGFCJGAZNNNI-UHFFFAOYSA-N -1 1 289.343 1.335 20 0 CDADMM COc1nscc1Cn1c(C)c(C)nc1-c1nn[n-]n1 ZINC001591671165 1173678425 /nfs/dbraw/zinc/67/84/25/1173678425.db2.gz PMSWNKMGGLFCCM-UHFFFAOYSA-N -1 1 291.340 1.193 20 0 CDADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)c1cccc(O)c1 ZINC001591769959 1173697731 /nfs/dbraw/zinc/69/77/31/1173697731.db2.gz GALVPPSYGSVFCQ-QMMMGPOBSA-N -1 1 283.295 1.535 20 0 CDADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)c1cccc(O)c1 ZINC001591769959 1173697736 /nfs/dbraw/zinc/69/77/36/1173697736.db2.gz GALVPPSYGSVFCQ-QMMMGPOBSA-N -1 1 283.295 1.535 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCSC[C@H]2C)c1 ZINC001591887700 1173739566 /nfs/dbraw/zinc/73/95/66/1173739566.db2.gz FFGXWDLMNUIZDF-SECBINFHSA-N -1 1 276.369 1.512 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCSC[C@H]2C)c1 ZINC001591887700 1173739575 /nfs/dbraw/zinc/73/95/75/1173739575.db2.gz FFGXWDLMNUIZDF-SECBINFHSA-N -1 1 276.369 1.512 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCCc2ccccc2O)n1 ZINC001591899794 1173743900 /nfs/dbraw/zinc/74/39/00/1173743900.db2.gz YJEYLSJFHLDBOH-UHFFFAOYSA-N -1 1 297.322 1.325 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCCc2ccccc2O)n1 ZINC001591899794 1173743907 /nfs/dbraw/zinc/74/39/07/1173743907.db2.gz YJEYLSJFHLDBOH-UHFFFAOYSA-N -1 1 297.322 1.325 20 0 CDADMM Cc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)no1 ZINC001591929739 1173746164 /nfs/dbraw/zinc/74/61/64/1173746164.db2.gz OVDWHIGJCCRGMH-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)cnc1F ZINC001591933594 1173747529 /nfs/dbraw/zinc/74/75/29/1173747529.db2.gz LTAKNQWLMBWSJT-UHFFFAOYSA-N -1 1 299.269 1.357 20 0 CDADMM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)cnc1F ZINC001591933594 1173747534 /nfs/dbraw/zinc/74/75/34/1173747534.db2.gz LTAKNQWLMBWSJT-UHFFFAOYSA-N -1 1 299.269 1.357 20 0 CDADMM Cc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)co1 ZINC001591937446 1173750756 /nfs/dbraw/zinc/75/07/56/1173750756.db2.gz HGOIQBCNXVXNDW-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)co1 ZINC001591937446 1173750759 /nfs/dbraw/zinc/75/07/59/1173750759.db2.gz HGOIQBCNXVXNDW-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1cc(N[C@H]2COC[C@@H]2C)nc(-c2nnn[n-]2)c1 ZINC001592040329 1173781627 /nfs/dbraw/zinc/78/16/27/1173781627.db2.gz WCVAGGPRAXJERJ-WPRPVWTQSA-N -1 1 260.301 1.017 20 0 CDADMM Cc1cc(N[C@H]2COC[C@@H]2C)nc(-c2nn[n-]n2)c1 ZINC001592040329 1173781632 /nfs/dbraw/zinc/78/16/32/1173781632.db2.gz WCVAGGPRAXJERJ-WPRPVWTQSA-N -1 1 260.301 1.017 20 0 CDADMM Cc1cc(NC[C@@H]2CCSC2)nc(-c2nnn[n-]2)c1 ZINC001592045725 1173784249 /nfs/dbraw/zinc/78/42/49/1173784249.db2.gz XRWRPQPPWWDLSP-VIFPVBQESA-N -1 1 276.369 1.735 20 0 CDADMM Cc1cc(NC[C@@H]2CCSC2)nc(-c2nn[n-]n2)c1 ZINC001592045725 1173784254 /nfs/dbraw/zinc/78/42/54/1173784254.db2.gz XRWRPQPPWWDLSP-VIFPVBQESA-N -1 1 276.369 1.735 20 0 CDADMM Cc1cc(Nc2cnc(-c3nnn[n-]3)cn2)ccc1N(C)C ZINC001592057375 1173791629 /nfs/dbraw/zinc/79/16/29/1173791629.db2.gz UILZVHYOSZMCIT-UHFFFAOYSA-N -1 1 296.338 1.775 20 0 CDADMM Cc1cc(Nc2cnc(-c3nn[n-]n3)cn2)ccc1N(C)C ZINC001592057375 1173791631 /nfs/dbraw/zinc/79/16/31/1173791631.db2.gz UILZVHYOSZMCIT-UHFFFAOYSA-N -1 1 296.338 1.775 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@H]1CCOC[C@H]1C ZINC001592113724 1173805494 /nfs/dbraw/zinc/80/54/94/1173805494.db2.gz IREKMSKBHKMFSC-ZJUUUORDSA-N -1 1 274.328 1.407 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCC1(CCO)CCC1 ZINC001592113029 1173806274 /nfs/dbraw/zinc/80/62/74/1173806274.db2.gz CYGPGGDMNNRYLR-UHFFFAOYSA-N -1 1 288.355 1.535 20 0 CDADMM Cc1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)nc1 ZINC001592151241 1173812554 /nfs/dbraw/zinc/81/25/54/1173812554.db2.gz KMIOJFHXQDARSV-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1ccc(CCNc2ccc(-c3nn[n-]n3)nn2)nc1 ZINC001592151241 1173812560 /nfs/dbraw/zinc/81/25/60/1173812560.db2.gz KMIOJFHXQDARSV-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1[nH]nc(NCc2ccc(C)cn2)c1-c1nnn[n-]1 ZINC001592166320 1173819757 /nfs/dbraw/zinc/81/97/57/1173819757.db2.gz DJTADQBPAWVDIK-UHFFFAOYSA-N -1 1 270.300 1.214 20 0 CDADMM Cc1[nH]nc(NCc2ccc(C)cn2)c1-c1nn[n-]n1 ZINC001592166320 1173819764 /nfs/dbraw/zinc/81/97/64/1173819764.db2.gz DJTADQBPAWVDIK-UHFFFAOYSA-N -1 1 270.300 1.214 20 0 CDADMM Cc1ccc(CNc2cccc(-c3nnn[n-]3)n2)nc1C ZINC001592166785 1173821786 /nfs/dbraw/zinc/82/17/86/1173821786.db2.gz HORLGTDBLIJMNU-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1ccc(CNc2cccc(-c3nn[n-]n3)n2)nc1C ZINC001592166785 1173821791 /nfs/dbraw/zinc/82/17/91/1173821791.db2.gz HORLGTDBLIJMNU-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1ccc(N(C)CCOC(C)(C)C)nc1-c1nnn[n-]1 ZINC001592175290 1173823476 /nfs/dbraw/zinc/82/34/76/1173823476.db2.gz LVMZBTOYNKYVPY-UHFFFAOYSA-N -1 1 290.371 1.821 20 0 CDADMM Cc1ccc(N(C)CCOC(C)(C)C)nc1-c1nn[n-]n1 ZINC001592175290 1173823482 /nfs/dbraw/zinc/82/34/82/1173823482.db2.gz LVMZBTOYNKYVPY-UHFFFAOYSA-N -1 1 290.371 1.821 20 0 CDADMM Cc1ccc(N2CC[C@]3(CC3(F)F)C2)c(-c2nnn[n-]2)n1 ZINC001592178358 1173826232 /nfs/dbraw/zinc/82/62/32/1173826232.db2.gz WDQYJQNQUFRQIF-LBPRGKRZSA-N -1 1 292.293 1.806 20 0 CDADMM Cc1ccc(N2CC[C@]3(CC3(F)F)C2)c(-c2nn[n-]n2)n1 ZINC001592178358 1173826238 /nfs/dbraw/zinc/82/62/38/1173826238.db2.gz WDQYJQNQUFRQIF-LBPRGKRZSA-N -1 1 292.293 1.806 20 0 CDADMM Cc1nsc(NCc2cnccc2C)c1-c1nn[n-]n1 ZINC001592279370 1173843112 /nfs/dbraw/zinc/84/31/12/1173843112.db2.gz SQRIXAWLRDQDSC-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1cnc(Cn2c(C)c(C)nc2-c2nnn[n-]2)o1 ZINC001592295399 1173850280 /nfs/dbraw/zinc/85/02/80/1173850280.db2.gz CLNBBGZRWDQQEE-UHFFFAOYSA-N -1 1 259.273 1.025 20 0 CDADMM Cc1cnc(Cn2c(C)c(C)nc2-c2nn[n-]n2)o1 ZINC001592295399 1173850286 /nfs/dbraw/zinc/85/02/86/1173850286.db2.gz CLNBBGZRWDQQEE-UHFFFAOYSA-N -1 1 259.273 1.025 20 0 CDADMM Cc1cocc1C(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001592310064 1173851090 /nfs/dbraw/zinc/85/10/90/1173851090.db2.gz YRRLUJMWEXCJQW-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1cocc1C(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001592310064 1173851095 /nfs/dbraw/zinc/85/10/95/1173851095.db2.gz YRRLUJMWEXCJQW-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1coc(Sc2nnc(C)c(C)c2-c2nn[n-]n2)n1 ZINC001592307808 1173851453 /nfs/dbraw/zinc/85/14/53/1173851453.db2.gz WRLXKGOVPSKRNX-UHFFFAOYSA-N -1 1 289.324 1.721 20 0 CDADMM Cc1[nH]nc(NCc2cnc3ccccn23)c1-c1nn[n-]n1 ZINC001592330635 1173858019 /nfs/dbraw/zinc/85/80/19/1173858019.db2.gz KXLPDRCBXDRGAA-UHFFFAOYSA-N -1 1 295.310 1.158 20 0 CDADMM Cc1ccsc1CNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001592393673 1173879207 /nfs/dbraw/zinc/87/92/07/1173879207.db2.gz DHWZJDFSPDSAGA-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1ccsc1CNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001592393673 1173879211 /nfs/dbraw/zinc/87/92/11/1173879211.db2.gz DHWZJDFSPDSAGA-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1nc(N[C@@H]2C[C@H]2c2ccsc2)cc(-c2nnn[n-]2)n1 ZINC001592394631 1173882376 /nfs/dbraw/zinc/88/23/76/1173882376.db2.gz RRTYAJDRBPLVNF-VHSXEESVSA-N -1 1 299.363 1.995 20 0 CDADMM Cc1nc(N[C@@H]2C[C@H]2c2ccsc2)cc(-c2nn[n-]n2)n1 ZINC001592394631 1173882384 /nfs/dbraw/zinc/88/23/84/1173882384.db2.gz RRTYAJDRBPLVNF-VHSXEESVSA-N -1 1 299.363 1.995 20 0 CDADMM Cc1nonc1CSc1cccc(F)c1-c1nn[n-]n1 ZINC001592467189 1173897353 /nfs/dbraw/zinc/89/73/53/1173897353.db2.gz ZWVGIDLBAGOQTQ-UHFFFAOYSA-N -1 1 292.299 1.990 20 0 CDADMM Cc1nsc(NC[C@@H](CO)CC2CC2)c1-c1nn[n-]n1 ZINC001592486874 1173902048 /nfs/dbraw/zinc/90/20/48/1173902048.db2.gz RYJRIFNBBSMCIP-VIFPVBQESA-N -1 1 294.384 1.452 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@@H](C)C1 ZINC001592497068 1173904195 /nfs/dbraw/zinc/90/41/95/1173904195.db2.gz UDYBJVQWPLZPFD-SSDOTTSWSA-N -1 1 261.285 1.250 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@@H](C)C1 ZINC001592497068 1173904200 /nfs/dbraw/zinc/90/42/00/1173904200.db2.gz UDYBJVQWPLZPFD-SSDOTTSWSA-N -1 1 261.285 1.250 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@H]1CC[C@@H](C)O1 ZINC001592500704 1173908705 /nfs/dbraw/zinc/90/87/05/1173908705.db2.gz BNXSQEXJRMDLOB-APPZFPTMSA-N -1 1 291.311 1.065 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@H]1CC[C@@H](C)O1 ZINC001592500704 1173908711 /nfs/dbraw/zinc/90/87/11/1173908711.db2.gz BNXSQEXJRMDLOB-APPZFPTMSA-N -1 1 291.311 1.065 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@H]1CC=CCC1 ZINC001592503120 1173909072 /nfs/dbraw/zinc/90/90/72/1173909072.db2.gz RLSHNELFXOWZLG-JTQLQIEISA-N -1 1 287.323 1.854 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@H]1CC=CCC1 ZINC001592503120 1173909077 /nfs/dbraw/zinc/90/90/77/1173909077.db2.gz RLSHNELFXOWZLG-JTQLQIEISA-N -1 1 287.323 1.854 20 0 CDADMM Cc1occc1C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001592511272 1173911316 /nfs/dbraw/zinc/91/13/16/1173911316.db2.gz MUJYQUNKKSRXTM-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1occc1C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001592511272 1173911328 /nfs/dbraw/zinc/91/13/28/1173911328.db2.gz MUJYQUNKKSRXTM-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Clc1ccc(Oc2cc(-c3nnn[n-]3)ncn2)cn1 ZINC001592532882 1173913699 /nfs/dbraw/zinc/91/36/99/1173913699.db2.gz JGMAVFAVKIMDKJ-UHFFFAOYSA-N -1 1 275.659 1.497 20 0 CDADMM Clc1ccc(Oc2cc(-c3nn[n-]n3)ncn2)cn1 ZINC001592532882 1173913703 /nfs/dbraw/zinc/91/37/03/1173913703.db2.gz JGMAVFAVKIMDKJ-UHFFFAOYSA-N -1 1 275.659 1.497 20 0 CDADMM Clc1ccc(N2CC(C3CC3)C2)nc1-c1nnn[n-]1 ZINC001592531296 1173913935 /nfs/dbraw/zinc/91/39/35/1173913935.db2.gz BXYNHUCOLLVRDA-UHFFFAOYSA-N -1 1 276.731 1.761 20 0 CDADMM Clc1ccc(N2CC(C3CC3)C2)nc1-c1nn[n-]n1 ZINC001592531296 1173913939 /nfs/dbraw/zinc/91/39/39/1173913939.db2.gz BXYNHUCOLLVRDA-UHFFFAOYSA-N -1 1 276.731 1.761 20 0 CDADMM Clc1sc(N2CCCCN2)nc1-c1nn[n-]n1 ZINC001592541501 1173916310 /nfs/dbraw/zinc/91/63/10/1173916310.db2.gz AKYAJHUGCCDZLD-UHFFFAOYSA-N -1 1 271.737 1.081 20 0 CDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CC2CCCCC2)n1 ZINC001592558863 1173919628 /nfs/dbraw/zinc/91/96/28/1173919628.db2.gz JKNMDMPUGODNIO-UHFFFAOYSA-N -1 1 289.343 1.509 20 0 CDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CC2CCCCC2)n1 ZINC001592558863 1173919633 /nfs/dbraw/zinc/91/96/33/1173919633.db2.gz JKNMDMPUGODNIO-UHFFFAOYSA-N -1 1 289.343 1.509 20 0 CDADMM Cn1cc(CSc2cccnc2-c2nnn[n-]2)cn1 ZINC001592572776 1173921170 /nfs/dbraw/zinc/92/11/70/1173921170.db2.gz MTJPTQBIOHEUOG-UHFFFAOYSA-N -1 1 273.325 1.288 20 0 CDADMM Cn1cc(CSc2cccnc2-c2nn[n-]n2)cn1 ZINC001592572776 1173921173 /nfs/dbraw/zinc/92/11/73/1173921173.db2.gz MTJPTQBIOHEUOG-UHFFFAOYSA-N -1 1 273.325 1.288 20 0 CDADMM Cn1ncc(C2CC2)c1CNc1cccc(-c2nnn[n-]2)n1 ZINC001592600423 1173926270 /nfs/dbraw/zinc/92/62/70/1173926270.db2.gz TUYKYEMEGMCUBG-UHFFFAOYSA-N -1 1 296.338 1.485 20 0 CDADMM Cn1ncc(C2CC2)c1CNc1cccc(-c2nn[n-]n2)n1 ZINC001592600423 1173926274 /nfs/dbraw/zinc/92/62/74/1173926274.db2.gz TUYKYEMEGMCUBG-UHFFFAOYSA-N -1 1 296.338 1.485 20 0 CDADMM FC(F)[C@@H]1CCCCN1Cc1ccnc(-c2nnn[n-]2)c1 ZINC001592625653 1173931737 /nfs/dbraw/zinc/93/17/37/1173931737.db2.gz ZEZGJHSJFRHDGM-NSHDSACASA-N -1 1 294.309 1.881 20 0 CDADMM FC(F)[C@@H]1CCCCN1Cc1ccnc(-c2nn[n-]n2)c1 ZINC001592625653 1173931745 /nfs/dbraw/zinc/93/17/45/1173931745.db2.gz ZEZGJHSJFRHDGM-NSHDSACASA-N -1 1 294.309 1.881 20 0 CDADMM F[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H]1F ZINC001592632853 1173944972 /nfs/dbraw/zinc/94/49/72/1173944972.db2.gz WQRPYDOXMKSEQK-ZXZARUISSA-N -1 1 292.702 1.473 20 0 CDADMM F[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@@H]1F ZINC001592632853 1173944971 /nfs/dbraw/zinc/94/49/71/1173944971.db2.gz WQRPYDOXMKSEQK-ZXZARUISSA-N -1 1 292.702 1.473 20 0 CDADMM Fc1ccc(Sc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001592652891 1173956497 /nfs/dbraw/zinc/95/64/97/1173956497.db2.gz YTVVPFWYJYUXKB-UHFFFAOYSA-N -1 1 274.284 1.947 20 0 CDADMM Fc1ccc(Sc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001592652891 1173956502 /nfs/dbraw/zinc/95/65/02/1173956502.db2.gz YTVVPFWYJYUXKB-UHFFFAOYSA-N -1 1 274.284 1.947 20 0 CDADMM O=C(N[C@@H]1CCC(F)(F)C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001592973270 1174010747 /nfs/dbraw/zinc/01/07/47/1174010747.db2.gz YQWXZMBKNYQTSY-MRVPVSSYSA-N -1 1 294.265 1.179 20 0 CDADMM O=C(N[C@@H]1CCC(F)(F)C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001592973270 1174010749 /nfs/dbraw/zinc/01/07/49/1174010749.db2.gz YQWXZMBKNYQTSY-MRVPVSSYSA-N -1 1 294.265 1.179 20 0 CDADMM O=C(N[C@H]1CC=CCC1)c1coc(-c2nnn[n-]2)c1 ZINC001592971757 1174011203 /nfs/dbraw/zinc/01/12/03/1174011203.db2.gz DXTNASREWGCNEA-VIFPVBQESA-N -1 1 259.269 1.298 20 0 CDADMM O=C(N[C@H]1CC=CCC1)c1coc(-c2nn[n-]n2)c1 ZINC001592971757 1174011207 /nfs/dbraw/zinc/01/12/07/1174011207.db2.gz DXTNASREWGCNEA-VIFPVBQESA-N -1 1 259.269 1.298 20 0 CDADMM O=C(NC[C@@]12C[C@@H]1CCCC2)c1coc(-c2nnn[n-]2)c1 ZINC001593021550 1174011951 /nfs/dbraw/zinc/01/19/51/1174011951.db2.gz KHGMUMNKURAUQO-IINYFYTJSA-N -1 1 287.323 1.770 20 0 CDADMM O=C(NC[C@@]12C[C@@H]1CCCC2)c1coc(-c2nn[n-]n2)c1 ZINC001593021550 1174011956 /nfs/dbraw/zinc/01/19/56/1174011956.db2.gz KHGMUMNKURAUQO-IINYFYTJSA-N -1 1 287.323 1.770 20 0 CDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CC=CCC1 ZINC001593147254 1174027720 /nfs/dbraw/zinc/02/77/20/1174027720.db2.gz HOWJKCQVIUXSOF-NSHDSACASA-N -1 1 284.323 1.234 20 0 CDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CC=CCC1 ZINC001593147254 1174027727 /nfs/dbraw/zinc/02/77/27/1174027727.db2.gz HOWJKCQVIUXSOF-NSHDSACASA-N -1 1 284.323 1.234 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cscc1Cl ZINC001593199329 1174032495 /nfs/dbraw/zinc/03/24/95/1174032495.db2.gz JUXIXYVBOFPMDJ-UHFFFAOYSA-N -1 1 295.715 1.557 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cscc1Cl ZINC001593199329 1174032509 /nfs/dbraw/zinc/03/25/09/1174032509.db2.gz JUXIXYVBOFPMDJ-UHFFFAOYSA-N -1 1 295.715 1.557 20 0 CDADMM O=C([O-])[C@H]1C=C[C@H]([NH2+]Cc2csc(-c3nn[n-]n3)c2)C1 ZINC001593272509 1174045088 /nfs/dbraw/zinc/04/50/88/1174045088.db2.gz BXHMMPXCQXXMOD-IUCAKERBSA-N -1 1 291.336 1.047 20 0 CDADMM O=C(OC[C@@H]1C[C@]12CCOC2)c1coc(-c2nnn[n-]2)c1 ZINC001593285001 1174052352 /nfs/dbraw/zinc/05/23/52/1174052352.db2.gz PUTOFTMZFFHANY-ZANVPECISA-N -1 1 290.279 1.043 20 0 CDADMM O=C(OC[C@@H]1C[C@]12CCOC2)c1coc(-c2nn[n-]n2)c1 ZINC001593285001 1174052357 /nfs/dbraw/zinc/05/23/57/1174052357.db2.gz PUTOFTMZFFHANY-ZANVPECISA-N -1 1 290.279 1.043 20 0 CDADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)C1(CF)CCC1 ZINC001593307637 1174061790 /nfs/dbraw/zinc/06/17/90/1174061790.db2.gz UYDHWUFRVSCPLQ-UHFFFAOYSA-N -1 1 297.315 1.506 20 0 CDADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)C1(CF)CCC1 ZINC001593307637 1174061797 /nfs/dbraw/zinc/06/17/97/1174061797.db2.gz UYDHWUFRVSCPLQ-UHFFFAOYSA-N -1 1 297.315 1.506 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1ccccc1Cl ZINC001593493224 1174086328 /nfs/dbraw/zinc/08/63/28/1174086328.db2.gz BOGXCWWWISOMDT-UHFFFAOYSA-N -1 1 287.710 1.730 20 0 CDADMM O=c1c(-c2nn[n-]n2)cncn1CC1CCC2(CC2)CC1 ZINC001593493764 1174086531 /nfs/dbraw/zinc/08/65/31/1174086531.db2.gz CYMFXHCENHOSHL-UHFFFAOYSA-N -1 1 286.339 1.394 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1ccccc1F ZINC001593493858 1174087730 /nfs/dbraw/zinc/08/77/30/1174087730.db2.gz LKRXUCKNVDZENQ-UHFFFAOYSA-N -1 1 271.255 1.216 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1CC[C@@H](O)c1ccccc1 ZINC001593496380 1174088565 /nfs/dbraw/zinc/08/85/65/1174088565.db2.gz KLVLLMKUJGZQEK-CYBMUJFWSA-N -1 1 297.318 1.152 20 0 CDADMM Oc1ccc(CNc2cc(-c3nnn[n-]3)ncn2)cc1F ZINC001593540945 1174112301 /nfs/dbraw/zinc/11/23/01/1174112301.db2.gz YZLQGAKNJVBBDZ-UHFFFAOYSA-N -1 1 287.258 1.114 20 0 CDADMM Oc1ccc(CNc2cc(-c3nn[n-]n3)ncn2)cc1F ZINC001593540945 1174112309 /nfs/dbraw/zinc/11/23/09/1174112309.db2.gz YZLQGAKNJVBBDZ-UHFFFAOYSA-N -1 1 287.258 1.114 20 0 CDADMM c1cc2c(c(CNc3cc(-c4nnn[n-]4)ncn3)c1)OCC2 ZINC001593566575 1174139805 /nfs/dbraw/zinc/13/98/05/1174139805.db2.gz NQNSJRZMBLPFDN-UHFFFAOYSA-N -1 1 295.306 1.204 20 0 CDADMM c1cc2c(c(CNc3cc(-c4nn[n-]n4)ncn3)c1)OCC2 ZINC001593566575 1174139807 /nfs/dbraw/zinc/13/98/07/1174139807.db2.gz NQNSJRZMBLPFDN-UHFFFAOYSA-N -1 1 295.306 1.204 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c1 ZINC001593583080 1174150660 /nfs/dbraw/zinc/15/06/60/1174150660.db2.gz MUSRBSWNEAXYRU-SHOJYFSJSA-N -1 1 284.323 1.097 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c1 ZINC001593583080 1174150672 /nfs/dbraw/zinc/15/06/72/1174150672.db2.gz MUSRBSWNEAXYRU-SHOJYFSJSA-N -1 1 284.323 1.097 20 0 CDADMM c1cc(-c2ncnn2CC2CC2)c(-c2nnn[n-]2)s1 ZINC001593588906 1174154641 /nfs/dbraw/zinc/15/46/41/1174154641.db2.gz HXEOFGVMVZXSEA-UHFFFAOYSA-N -1 1 273.325 1.597 20 0 CDADMM c1cc(-c2ncnn2CC2CC2)c(-c2nn[n-]n2)s1 ZINC001593588906 1174154645 /nfs/dbraw/zinc/15/46/45/1174154645.db2.gz HXEOFGVMVZXSEA-UHFFFAOYSA-N -1 1 273.325 1.597 20 0 CDADMM c1nc(N[C@@H]2CCOC3(CCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001593591924 1174159169 /nfs/dbraw/zinc/15/91/69/1174159169.db2.gz WCTCIZMXXIEPKS-SECBINFHSA-N -1 1 287.327 1.170 20 0 CDADMM c1nc(N[C@@H]2CCOC3(CCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001593591924 1174159173 /nfs/dbraw/zinc/15/91/73/1174159173.db2.gz WCTCIZMXXIEPKS-SECBINFHSA-N -1 1 287.327 1.170 20 0 CDADMM c1ncc(N(CCC2CC2)CC2CC2)nc1-c1nnn[n-]1 ZINC001593593084 1174160411 /nfs/dbraw/zinc/16/04/11/1174160411.db2.gz KWTUSLGUCUSQBT-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM c1ncc(N(CCC2CC2)CC2CC2)nc1-c1nn[n-]n1 ZINC001593593084 1174160417 /nfs/dbraw/zinc/16/04/17/1174160417.db2.gz KWTUSLGUCUSQBT-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM c1[nH]nc2c1N(Cc1csc(-c3nn[n-]n3)c1)CCC2 ZINC001593593664 1174161940 /nfs/dbraw/zinc/16/19/40/1174161940.db2.gz HXPOFQZZVNWLRG-UHFFFAOYSA-N -1 1 287.352 1.604 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NC[C@H]2CCC3(CCC3)O2)n1 ZINC001593594505 1174163087 /nfs/dbraw/zinc/16/30/87/1174163087.db2.gz CWZIZSIDLNZEDW-SECBINFHSA-N -1 1 287.327 1.170 20 0 CDADMM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(F)c1O ZINC001595162297 1174196688 /nfs/dbraw/zinc/19/66/88/1174196688.db2.gz FBHWJRKUFRPEHP-JTQLQIEISA-N -1 1 267.256 1.611 20 0 CDADMM Cc1cn[nH]c1CNc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001600061991 1174350254 /nfs/dbraw/zinc/35/02/54/1174350254.db2.gz IXHBSOJAJVZNDB-UHFFFAOYSA-N -1 1 288.307 1.145 20 0 CDADMM Cc1conc1CN1CCSC[C@@H](C(=O)[O-])C1 ZINC001600645111 1174550339 /nfs/dbraw/zinc/55/03/39/1174550339.db2.gz UIDPUVCDPUSFQD-VIFPVBQESA-N -1 1 256.327 1.233 20 0 CDADMM Cc1nc(CNc2ncc(C(=O)[O-])cc2Cl)n[nH]1 ZINC001600670767 1174556619 /nfs/dbraw/zinc/55/66/19/1174556619.db2.gz LMNKBNUZKHEOJS-UHFFFAOYSA-N -1 1 267.676 1.472 20 0 CDADMM Cc1nnc(SCc2cn3cccc(C(=O)[O-])c3n2)[nH]1 ZINC001600798998 1174616647 /nfs/dbraw/zinc/61/66/47/1174616647.db2.gz CNRPDMLMFWISTB-UHFFFAOYSA-N -1 1 289.320 1.751 20 0 CDADMM Cc1n[nH]c(SCc2cn3cccc(C(=O)[O-])c3n2)n1 ZINC001600798998 1174616650 /nfs/dbraw/zinc/61/66/50/1174616650.db2.gz CNRPDMLMFWISTB-UHFFFAOYSA-N -1 1 289.320 1.751 20 0 CDADMM Nc1cnc(CN2CCC[C@@H](CCC(=O)[O-])C2)cn1 ZINC001601218282 1174795033 /nfs/dbraw/zinc/79/50/33/1174795033.db2.gz IPIWXAPTMNEDOV-JTQLQIEISA-N -1 1 264.329 1.136 20 0 CDADMM CN(C)c1ccc(CCNC(=O)c2cncc([O-])c2)cc1 ZINC000111592805 1174827301 /nfs/dbraw/zinc/82/73/01/1174827301.db2.gz XXMXNLKOPKYWGJ-UHFFFAOYSA-N -1 1 285.347 1.826 20 0 CDADMM O=C([O-])[C@]1(C(=O)Nc2c[nH]nn2)C[C@H]1c1ccccc1 ZINC001601704438 1174957342 /nfs/dbraw/zinc/95/73/42/1174957342.db2.gz OUHZGSMQRYEVRL-TVQRCGJNSA-N -1 1 272.264 1.002 20 0 CDADMM O=C([O-])[C@@H]1[C@H](CN2CCOC3(CCC3)C2)C1(F)F ZINC001601751300 1174985922 /nfs/dbraw/zinc/98/59/22/1174985922.db2.gz UBFLQQIAJLZRDN-IUCAKERBSA-N -1 1 261.268 1.207 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)C[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC001601766562 1174994989 /nfs/dbraw/zinc/99/49/89/1174994989.db2.gz AMAWAZPVJUGZJX-NXEZZACHSA-N -1 1 282.365 1.288 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)CN(Cc2cnc(C3CC3)s2)C1 ZINC001601766562 1174994992 /nfs/dbraw/zinc/99/49/92/1174994992.db2.gz AMAWAZPVJUGZJX-NXEZZACHSA-N -1 1 282.365 1.288 20 0 CDADMM O=C([O-])[C@H]1C[C@H](O)CN1Cc1cc2ccncc2s1 ZINC001601774676 1175000940 /nfs/dbraw/zinc/00/09/40/1175000940.db2.gz ZEUMUWLEWPJQBZ-GXSJLCMTSA-N -1 1 278.333 1.316 20 0 CDADMM O=C([O-])[C@H](c1ccccc1F)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC001601826171 1175023689 /nfs/dbraw/zinc/02/36/89/1175023689.db2.gz AOFNJTHQSGRAIR-KWQFWETISA-N -1 1 267.256 1.358 20 0 CDADMM O=C([O-])[C@@H]1CCN1C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC001601835096 1175029180 /nfs/dbraw/zinc/02/91/80/1175029180.db2.gz VTUVMPZOCNGXFK-KGLIPLIRSA-N -1 1 288.347 1.337 20 0 CDADMM O=C([O-])CC1([NH2+]CCC[N-]C(=O)C(F)(F)F)CCC1 ZINC001601934479 1175072301 /nfs/dbraw/zinc/07/23/01/1175072301.db2.gz GBQDHKNHCKITRF-UHFFFAOYSA-N -1 1 282.262 1.042 20 0 CDADMM O=C([O-])CC1(NCc2nnc(-c3ccco3)o2)CCC1 ZINC001601938024 1175074931 /nfs/dbraw/zinc/07/49/31/1175074931.db2.gz RMDMCBZUFBDZFA-UHFFFAOYSA-N -1 1 277.280 1.817 20 0 CDADMM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001602105518 1175131367 /nfs/dbraw/zinc/13/13/67/1175131367.db2.gz QLPCCGWCHPQXRH-HOSYDEDBSA-N -1 1 291.351 1.589 20 0 CDADMM O=C([O-])[C@@H]1OCC[C@@H]1NCc1cccc(O)c1Cl ZINC001602202707 1175161357 /nfs/dbraw/zinc/16/13/57/1175161357.db2.gz AUISXRDFOIUZDT-GZMMTYOYSA-N -1 1 271.700 1.377 20 0 CDADMM O=C([O-])[C@@H]1OCC[C@@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC001602202707 1175161361 /nfs/dbraw/zinc/16/13/61/1175161361.db2.gz AUISXRDFOIUZDT-GZMMTYOYSA-N -1 1 271.700 1.377 20 0 CDADMM O=C([O-])c1cc2n(n1)CCC[C@@H]2NCc1ccnc(F)c1 ZINC001602309310 1175195358 /nfs/dbraw/zinc/19/53/58/1175195358.db2.gz UKEFKQBYIQRTOL-JTQLQIEISA-N -1 1 290.298 1.740 20 0 CDADMM O=C([O-])c1ccc(OC[C@H](O)CNCc2ccoc2)cc1 ZINC001602388242 1175231470 /nfs/dbraw/zinc/23/14/70/1175231470.db2.gz HQVRCSIFUXLEPB-CYBMUJFWSA-N -1 1 291.303 1.507 20 0 CDADMM O=C([O-])c1cnc(CCNC(=O)C(F)(F)F)s1 ZINC001602517453 1175264942 /nfs/dbraw/zinc/26/49/42/1175264942.db2.gz PYNUQVLXWQGVDC-UHFFFAOYSA-N -1 1 268.216 1.062 20 0 CDADMM O=C([O-])c1cnoc1CN1CCS[C@@H]2COCC[C@@H]21 ZINC001602545184 1175284160 /nfs/dbraw/zinc/28/41/60/1175284160.db2.gz BNTGWCOOSZBLMH-GXSJLCMTSA-N -1 1 284.337 1.079 20 0 CDADMM O=C([O-])c1cnoc1CN1CC[C@@H](O)CC12CCC2 ZINC001602547081 1175286672 /nfs/dbraw/zinc/28/66/72/1175286672.db2.gz BGIBQDJNCKOGSY-SECBINFHSA-N -1 1 266.297 1.252 20 0 CDADMM O=C([O-])c1ccc(F)c2c1CN(C[C@@H]1CCC(=O)O1)CC2 ZINC001602640877 1175334757 /nfs/dbraw/zinc/33/47/57/1175334757.db2.gz XNHXBNTZIPRWRP-VIFPVBQESA-N -1 1 293.294 1.588 20 0 CDADMM C[C@H](C(=O)NCC(F)(F)F)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001603164511 1175505630 /nfs/dbraw/zinc/50/56/30/1175505630.db2.gz QJGCQLXJHRDOIG-IWSPIJDZSA-N -1 1 296.289 1.096 20 0 CDADMM CC(C)(O)CCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001603171697 1175508016 /nfs/dbraw/zinc/50/80/16/1175508016.db2.gz USLCJWXVVQMROQ-UHFFFAOYSA-N -1 1 282.325 1.246 20 0 CDADMM CC(C)(O)CCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001603171697 1175508020 /nfs/dbraw/zinc/50/80/20/1175508020.db2.gz USLCJWXVVQMROQ-UHFFFAOYSA-N -1 1 282.325 1.246 20 0 CDADMM CC(C)=CCNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001603186234 1175510616 /nfs/dbraw/zinc/51/06/16/1175510616.db2.gz IOVLUKQHIIQVDE-UHFFFAOYSA-N -1 1 273.300 1.349 20 0 CDADMM CC(C)=CCNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001603186234 1175510621 /nfs/dbraw/zinc/51/06/21/1175510621.db2.gz IOVLUKQHIIQVDE-UHFFFAOYSA-N -1 1 273.300 1.349 20 0 CDADMM C[C@H](C(=O)[O-])N(C(=O)[C@@H]1CCN1C(C)(C)C)C1CCC1 ZINC001603196141 1175512417 /nfs/dbraw/zinc/51/24/17/1175512417.db2.gz OSPVRKPKAYOYCG-PWSUYJOCSA-N -1 1 282.384 1.713 20 0 CDADMM CC(C)(C(=O)NCc1ocnc1C(=O)[O-])N1CCCCC1 ZINC001603238427 1175521714 /nfs/dbraw/zinc/52/17/14/1175521714.db2.gz ZFKOGFOIKXENEE-UHFFFAOYSA-N -1 1 295.339 1.254 20 0 CDADMM CC(C)(C(=O)Nc1cc(C(=O)[O-])ccn1)c1cnc[nH]1 ZINC001603239231 1175524320 /nfs/dbraw/zinc/52/43/20/1175524320.db2.gz VFZJOFIJBRTGFG-UHFFFAOYSA-N -1 1 274.280 1.419 20 0 CDADMM CC(C)CC(=O)OCOc1ccc(F)nc1-c1nn[n-]n1 ZINC001603256824 1175528236 /nfs/dbraw/zinc/52/82/36/1175528236.db2.gz SGCQELJVLDVRNK-UHFFFAOYSA-N -1 1 295.274 1.326 20 0 CDADMM CC(C)CO[C@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001603299558 1175533486 /nfs/dbraw/zinc/53/34/86/1175533486.db2.gz MFQGTNUBZPCWAQ-LBPRGKRZSA-N -1 1 288.355 1.513 20 0 CDADMM CC(C)CO[C@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001603299558 1175533489 /nfs/dbraw/zinc/53/34/89/1175533489.db2.gz MFQGTNUBZPCWAQ-LBPRGKRZSA-N -1 1 288.355 1.513 20 0 CDADMM CC(C)Cn1ccnc1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001603314101 1175539148 /nfs/dbraw/zinc/53/91/48/1175539148.db2.gz BPFFMIHNXMZLQB-UHFFFAOYSA-N -1 1 299.342 1.121 20 0 CDADMM CC(C)Cn1ccnc1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001603314101 1175539153 /nfs/dbraw/zinc/53/91/53/1175539153.db2.gz BPFFMIHNXMZLQB-UHFFFAOYSA-N -1 1 299.342 1.121 20 0 CDADMM CC(C)(C)OC(=O)[C@]1(C)CCCN1C[C@](C)(O)C(=O)[O-] ZINC001603357439 1175548410 /nfs/dbraw/zinc/54/84/10/1175548410.db2.gz HEVBZUMRSDZUSD-KBPBESRZSA-N -1 1 287.356 1.018 20 0 CDADMM C[C@H](CNC(=O)c1csc(-c2nn[n-]n2)c1)C1CC1 ZINC001603547753 1175563309 /nfs/dbraw/zinc/56/33/09/1175563309.db2.gz RKROEJMFYYVLJN-SSDOTTSWSA-N -1 1 277.353 1.704 20 0 CDADMM CC(C)(NC[C@@H]1CCCC[C@@H]1O)c1cc(C(=O)[O-])on1 ZINC001603681255 1175596556 /nfs/dbraw/zinc/59/65/56/1175596556.db2.gz UMKPPJDUPRJQNK-UWVGGRQHSA-N -1 1 282.340 1.749 20 0 CDADMM CC(C)=C(C)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001603697091 1175601227 /nfs/dbraw/zinc/60/12/27/1175601227.db2.gz HMMDVAGMAFKSQF-LLVKDONJSA-N -1 1 268.357 1.350 20 0 CDADMM C[C@@H](c1ccncc1)N(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603737703 1175611391 /nfs/dbraw/zinc/61/13/91/1175611391.db2.gz AINNIXZSVOOFRB-VIFPVBQESA-N -1 1 298.306 1.688 20 0 CDADMM C[C@@H](c1ccncc1)N(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001603737703 1175611394 /nfs/dbraw/zinc/61/13/94/1175611394.db2.gz AINNIXZSVOOFRB-VIFPVBQESA-N -1 1 298.306 1.688 20 0 CDADMM CC(C)C1(C)CCN(CN2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001603749113 1175615137 /nfs/dbraw/zinc/61/51/37/1175615137.db2.gz QHWBEBCGJRINSU-GFCCVEGCSA-N -1 1 282.384 1.635 20 0 CDADMM CC(C)C[C@@H](C)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001603767851 1175623392 /nfs/dbraw/zinc/62/33/92/1175623392.db2.gz HTLHMPMTNUVENA-CHWSQXEVSA-N -1 1 284.400 1.676 20 0 CDADMM CC1(C)CCC[C@H]1CNc1ncncc1-c1nn[n-]n1 ZINC001603772840 1175626550 /nfs/dbraw/zinc/62/65/50/1175626550.db2.gz FCONYXMMUNZNQK-VIFPVBQESA-N -1 1 273.344 1.895 20 0 CDADMM CC1(C)CCC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001603772705 1175627658 /nfs/dbraw/zinc/62/76/58/1175627658.db2.gz CQRNBGJASQLXFK-VIFPVBQESA-N -1 1 259.317 1.647 20 0 CDADMM CC1(C)CCC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001603772705 1175627660 /nfs/dbraw/zinc/62/76/60/1175627660.db2.gz CQRNBGJASQLXFK-VIFPVBQESA-N -1 1 259.317 1.647 20 0 CDADMM CC1(C2(NC(=O)c3coc(-c4nnn[n-]4)c3)CC2)CC1 ZINC001603796068 1175634984 /nfs/dbraw/zinc/63/49/84/1175634984.db2.gz TUOHGGJCLKALGI-UHFFFAOYSA-N -1 1 273.296 1.522 20 0 CDADMM CC1(C2(NC(=O)c3coc(-c4nn[n-]n4)c3)CC2)CC1 ZINC001603796068 1175634987 /nfs/dbraw/zinc/63/49/87/1175634987.db2.gz TUOHGGJCLKALGI-UHFFFAOYSA-N -1 1 273.296 1.522 20 0 CDADMM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=NC(=O)N(C)C1 ZINC001603806465 1175638154 /nfs/dbraw/zinc/63/81/54/1175638154.db2.gz LABVSHMGUOBORQ-UHFFFAOYSA-N -1 1 297.355 1.335 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@@H]1CC(C)=NO1 ZINC001603827731 1175646235 /nfs/dbraw/zinc/64/62/35/1175646235.db2.gz RNPTXKBJWMPLLA-QMMMGPOBSA-N -1 1 291.267 1.090 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@@H]1CC(C)=NO1 ZINC001603827731 1175646240 /nfs/dbraw/zinc/64/62/40/1175646240.db2.gz RNPTXKBJWMPLLA-QMMMGPOBSA-N -1 1 291.267 1.090 20 0 CDADMM C[C@@H]1C[C@@H](C)[C@H](C)N(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001603844567 1175650575 /nfs/dbraw/zinc/65/05/75/1175650575.db2.gz DCVHEWQGCHCKCM-BBBLOLIVSA-N -1 1 273.344 1.528 20 0 CDADMM C[C@@H]1C[C@@H](C)[C@H](C)N(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001603844567 1175650577 /nfs/dbraw/zinc/65/05/77/1175650577.db2.gz DCVHEWQGCHCKCM-BBBLOLIVSA-N -1 1 273.344 1.528 20 0 CDADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001603870593 1175661328 /nfs/dbraw/zinc/66/13/28/1175661328.db2.gz IZMSIGDABCSVNK-XFWSIPNHSA-N -1 1 271.328 1.361 20 0 CDADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001603870593 1175661332 /nfs/dbraw/zinc/66/13/32/1175661332.db2.gz IZMSIGDABCSVNK-XFWSIPNHSA-N -1 1 271.328 1.361 20 0 CDADMM C[C@H]1C[C@@H]1CNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001603870372 1175661588 /nfs/dbraw/zinc/66/15/88/1175661588.db2.gz HEWDRUNZCMZFAG-DTWKUNHWSA-N -1 1 296.334 1.734 20 0 CDADMM C[C@@H]1C[C@@H]1c1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)n[nH]1 ZINC001603871555 1175661599 /nfs/dbraw/zinc/66/15/99/1175661599.db2.gz OURRRMFJKKCARB-SVRRBLITSA-N -1 1 299.294 1.559 20 0 CDADMM C[C@@H]1C[C@@H]1c1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)n[nH]1 ZINC001603871555 1175661601 /nfs/dbraw/zinc/66/16/01/1175661601.db2.gz OURRRMFJKKCARB-SVRRBLITSA-N -1 1 299.294 1.559 20 0 CDADMM C[C@@H]1CC[C@H](C)N1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001603874113 1175664040 /nfs/dbraw/zinc/66/40/40/1175664040.db2.gz GNMPWIWHNMHFBU-AOOOYVTPSA-N -1 1 286.339 1.204 20 0 CDADMM C[C@@H]1CC[C@H](C)N1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001603874113 1175664043 /nfs/dbraw/zinc/66/40/43/1175664043.db2.gz GNMPWIWHNMHFBU-AOOOYVTPSA-N -1 1 286.339 1.204 20 0 CDADMM C[C@H]1CCCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001603899541 1175676771 /nfs/dbraw/zinc/67/67/71/1175676771.db2.gz LNXREZICCMDNKP-VIFPVBQESA-N -1 1 289.314 1.878 20 0 CDADMM C[C@H]1CCCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001603899541 1175676776 /nfs/dbraw/zinc/67/67/76/1175676776.db2.gz LNXREZICCMDNKP-VIFPVBQESA-N -1 1 289.314 1.878 20 0 CDADMM CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001603918064 1175684752 /nfs/dbraw/zinc/68/47/52/1175684752.db2.gz WUXJBBXJACPKQG-BFHYXJOUSA-N -1 1 285.384 1.754 20 0 CDADMM CC(C)OC[C@H](C(=O)[O-])N(C)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001603918064 1175684755 /nfs/dbraw/zinc/68/47/55/1175684755.db2.gz WUXJBBXJACPKQG-BFHYXJOUSA-N -1 1 285.384 1.754 20 0 CDADMM CC(C)c1n[nH]c(COC(=O)c2ccc(C(=O)[O-])cn2)n1 ZINC001604015921 1175722678 /nfs/dbraw/zinc/72/26/78/1175722678.db2.gz BOXMLIZCOWXFQK-UHFFFAOYSA-N -1 1 290.279 1.378 20 0 CDADMM CC(C)c1nc(COC(=O)c2ccc(C(=O)[O-])cn2)n[nH]1 ZINC001604015921 1175722680 /nfs/dbraw/zinc/72/26/80/1175722680.db2.gz BOXMLIZCOWXFQK-UHFFFAOYSA-N -1 1 290.279 1.378 20 0 CDADMM CC[C@H]1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001604107617 1175765613 /nfs/dbraw/zinc/76/56/13/1175765613.db2.gz ZRZWMFCUSPGDAO-JTQLQIEISA-N -1 1 286.339 1.063 20 0 CDADMM CC[C@H]1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001604107617 1175765618 /nfs/dbraw/zinc/76/56/18/1175765618.db2.gz ZRZWMFCUSPGDAO-JTQLQIEISA-N -1 1 286.339 1.063 20 0 CDADMM CCCNC(=O)[C@H](C)NC(=O)c1cc(F)ccc1[O-] ZINC000147657947 1178079254 /nfs/dbraw/zinc/07/92/54/1178079254.db2.gz JQFCMNIQIGYYGK-QMMMGPOBSA-N -1 1 268.288 1.176 20 0 CDADMM Cc1nc([C@H](C)NC(=O)c2cc(F)ccc2[O-])no1 ZINC000154652315 1178146737 /nfs/dbraw/zinc/14/67/37/1178146737.db2.gz KTDVGRZEGLUUSY-LURJTMIESA-N -1 1 265.244 1.714 20 0 CDADMM Cc1cc(CNCCC(=O)NC(C)C)oc1C(=O)[O-] ZINC000232655129 1178195924 /nfs/dbraw/zinc/19/59/24/1178195924.db2.gz KQRRHSGIHUDKTK-UHFFFAOYSA-N -1 1 268.313 1.291 20 0 CDADMM O=S(=O)([N-][C@@H]1CCC[C@@H]1O)c1cc(Cl)ccc1F ZINC000284165077 1184543194 /nfs/dbraw/zinc/54/31/94/1184543194.db2.gz FWTFIWFLVDIFFB-ZJUUUORDSA-N -1 1 293.747 1.671 20 0 CDADMM O=C([O-])c1noc(CN2CCC[C@@H]3CCCC[C@@H]32)n1 ZINC000314162358 1186722500 /nfs/dbraw/zinc/72/25/00/1186722500.db2.gz AOMSSFPDXIMION-UWVGGRQHSA-N -1 1 265.313 1.922 20 0 CDADMM COc1ccccc1C1(C(=O)Nc2nnn[n-]2)CCC1 ZINC001771607328 1186810530 /nfs/dbraw/zinc/81/05/30/1186810530.db2.gz AHCDVHRFQQLJLS-UHFFFAOYSA-N -1 1 273.296 1.269 20 0 CDADMM COc1ccccc1C1(C(=O)Nc2nn[n-]n2)CCC1 ZINC001771607328 1186810539 /nfs/dbraw/zinc/81/05/39/1186810539.db2.gz AHCDVHRFQQLJLS-UHFFFAOYSA-N -1 1 273.296 1.269 20 0 CDADMM O=C(COC(=O)C1CC(F)(F)C1)c1ccc([O-])cc1O ZINC001771617537 1186813904 /nfs/dbraw/zinc/81/39/04/1186813904.db2.gz KGMMMLFLHIFJCZ-UHFFFAOYSA-N -1 1 286.230 1.869 20 0 CDADMM CCCn1c(CNC[C@H](OC)C(=O)[O-])nc2ccccc21 ZINC001771910195 1186948139 /nfs/dbraw/zinc/94/81/39/1186948139.db2.gz XNNQSTGTBHIDJM-ZDUSSCGKSA-N -1 1 291.351 1.636 20 0 CDADMM CN(C(=O)Cc1ccn[nH]1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001771918829 1186955029 /nfs/dbraw/zinc/95/50/29/1186955029.db2.gz SFUKWMNMCQJWSP-ZDUSSCGKSA-N -1 1 287.319 1.107 20 0 CDADMM CN(C(=O)[C@@H]1CCSc2ccccc21)c1nn[nH]n1 ZINC001771924908 1186959410 /nfs/dbraw/zinc/95/94/10/1186959410.db2.gz JJODMBZMOQJVFR-SECBINFHSA-N -1 1 275.337 1.442 20 0 CDADMM CN(C(=O)[C@@H]1CCSc2ccccc21)c1nn[n-]n1 ZINC001771924908 1186959413 /nfs/dbraw/zinc/95/94/13/1186959413.db2.gz JJODMBZMOQJVFR-SECBINFHSA-N -1 1 275.337 1.442 20 0 CDADMM CC(C)n1cc(CN2CCC[C@@H]2CC(=O)[O-])nn1 ZINC000385157385 1187269053 /nfs/dbraw/zinc/26/90/53/1187269053.db2.gz SWLWQMDOEVBYHZ-LLVKDONJSA-N -1 1 252.318 1.298 20 0 CDADMM C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1ncon1 ZINC000398294081 1187294292 /nfs/dbraw/zinc/29/42/92/1187294292.db2.gz IEIJEQRIQMZZDP-ZCFIWIBFSA-N -1 1 267.672 1.920 20 0 CDADMM Cc1nsc(NC2COC(C)(C)OC2)c1-c1nn[n-]n1 ZINC001606156031 1163792243 /nfs/dbraw/zinc/79/22/43/1163792243.db2.gz OEGOHBCMVLTHOB-UHFFFAOYSA-N -1 1 296.356 1.195 20 0 CDADMM COC(=O)[C@H]1CCN(Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC001606412349 1163894911 /nfs/dbraw/zinc/89/49/11/1163894911.db2.gz YXZKHQLCBWXTHY-YEZKRMTDSA-N -1 1 279.292 1.372 20 0 CDADMM O=C(NCCCC(F)F)c1ccc(-c2nnn[n-]2)o1 ZINC001606764855 1163988576 /nfs/dbraw/zinc/98/85/76/1163988576.db2.gz WFXSVQKRLNLRNK-UHFFFAOYSA-N -1 1 271.227 1.235 20 0 CDADMM O=C(NCCCC(F)F)c1ccc(-c2nn[n-]n2)o1 ZINC001606764855 1163988581 /nfs/dbraw/zinc/98/85/81/1163988581.db2.gz WFXSVQKRLNLRNK-UHFFFAOYSA-N -1 1 271.227 1.235 20 0 CDADMM O=C(OC[C@@H]1CCOC1)c1csc(-c2nnn[n-]2)c1 ZINC001606967576 1164042187 /nfs/dbraw/zinc/04/21/87/1164042187.db2.gz MCPDJPFCCMMTGI-SSDOTTSWSA-N -1 1 280.309 1.122 20 0 CDADMM O=C(OC[C@@H]1CCOC1)c1csc(-c2nn[n-]n2)c1 ZINC001606967576 1164042192 /nfs/dbraw/zinc/04/21/92/1164042192.db2.gz MCPDJPFCCMMTGI-SSDOTTSWSA-N -1 1 280.309 1.122 20 0 CDADMM c1cc(N2CCC(C3CC3)CC2)nc(-c2nn[n-]n2)n1 ZINC001607119877 1164103340 /nfs/dbraw/zinc/10/33/40/1164103340.db2.gz KZTDKESYYYZRRS-UHFFFAOYSA-N -1 1 271.328 1.283 20 0 CDADMM CSc1ccc(CN[C@@]2(CC(=O)[O-])CCOC2)o1 ZINC001607408714 1164170462 /nfs/dbraw/zinc/17/04/62/1164170462.db2.gz RUQBVJBQZAZURW-GFCCVEGCSA-N -1 1 271.338 1.725 20 0 CDADMM Cc1cc(C(=O)N[C@H]2CCC[N@H+](C)C2)oc1C(=O)[O-] ZINC000704738627 723110774 /nfs/dbraw/zinc/11/07/74/723110774.db2.gz LQDDHUJAOHEVBS-VIFPVBQESA-N -1 1 266.297 1.110 20 0 CDADMM Cc1cc(C(=O)N[C@H]2CCCN(C)C2)oc1C(=O)[O-] ZINC000704738627 723110780 /nfs/dbraw/zinc/11/07/80/723110780.db2.gz LQDDHUJAOHEVBS-VIFPVBQESA-N -1 1 266.297 1.110 20 0 CDADMM CCc1c(C(=O)Nc2nc(Cl)ccc2[O-])cnn1C ZINC000790048810 723189037 /nfs/dbraw/zinc/18/90/37/723189037.db2.gz WQCWQZMRIMUECP-UHFFFAOYSA-N -1 1 280.715 1.989 20 0 CDADMM C[C@@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CC(C)(C)C ZINC000985978959 723204358 /nfs/dbraw/zinc/20/43/58/723204358.db2.gz YEXVEIDRVXCLHS-NXEZZACHSA-N -1 1 295.387 1.026 20 0 CDADMM O=c1[n-]c(CN2CCC[C@@H]2[C@@H](O)c2ccccc2)n[nH]1 ZINC000879245209 723218292 /nfs/dbraw/zinc/21/82/92/723218292.db2.gz WIMSFXVDVBRIJH-YPMHNXCESA-N -1 1 274.324 1.208 20 0 CDADMM CC(C)C[C@](C)(CNC(=O)[C@H]1CCCCN1C)C(=O)[O-] ZINC000923189549 723229616 /nfs/dbraw/zinc/22/96/16/723229616.db2.gz XRIOWCWAWCIBAW-IUODEOHRSA-N -1 1 284.400 1.724 20 0 CDADMM Cc1cc(C)c(C(=O)COC(=O)c2cn[n-]n2)c(C)c1 ZINC000805605310 723232495 /nfs/dbraw/zinc/23/24/95/723232495.db2.gz XWMWUEJREKCFII-UHFFFAOYSA-N -1 1 273.292 1.770 20 0 CDADMM O=c1nc(N[C@H](CO)[C@@H]2CCCOC2)cc(Cl)[n-]1 ZINC000858570240 723297707 /nfs/dbraw/zinc/29/77/07/723297707.db2.gz HDVHAYPGYRWORV-HTQZYQBOSA-N -1 1 273.720 1.035 20 0 CDADMM CCOCC(=O)COC(=O)c1ccc([O-])cc1F ZINC000777062936 723307313 /nfs/dbraw/zinc/30/73/13/723307313.db2.gz MBSFOVVZORNNBY-UHFFFAOYSA-N -1 1 256.229 1.294 20 0 CDADMM Cn1[n-]cc2c(=NC(=O)c3cnn(C4CC4)c3)ccnc1-2 ZINC000875633145 723376494 /nfs/dbraw/zinc/37/64/94/723376494.db2.gz LBSVTIWNZYRBMK-UHFFFAOYSA-N -1 1 282.307 1.126 20 0 CDADMM Cn1cc([C@@H]2C[C@@H]([N-]C(=O)C(F)(F)F)CCO2)cn1 ZINC000848140687 723423645 /nfs/dbraw/zinc/42/36/45/723423645.db2.gz UUHRKVULLBHGJR-IUCAKERBSA-N -1 1 277.246 1.319 20 0 CDADMM O=C(CCCc1nn[n-]n1)Nc1cc(C2CC2)ccn1 ZINC000823034316 723438566 /nfs/dbraw/zinc/43/85/66/723438566.db2.gz FRHHKUYIKJYWPL-UHFFFAOYSA-N -1 1 272.312 1.434 20 0 CDADMM Cc1n[nH]c(C)c1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000808327851 723512302 /nfs/dbraw/zinc/51/23/02/723512302.db2.gz GXFBNZSEIJAPGI-VIFPVBQESA-N -1 1 297.302 1.646 20 0 CDADMM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@@H]1CCC[C@H]1C ZINC000867225192 723588270 /nfs/dbraw/zinc/58/82/70/723588270.db2.gz ZIHMHYZMUWMEGL-MNOVXSKESA-N -1 1 296.458 1.765 20 0 CDADMM CCCCS[C@@H](C)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000785743206 723671533 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O=C(N[C@@H](CO)c1cc(F)ccc1F)c1cncc([O-])c1 ZINC001363679634 953641055 /nfs/dbraw/zinc/64/10/55/953641055.db2.gz DCQXMDYBYPCVIR-ZDUSSCGKSA-N -1 1 294.257 1.529 20 0 CDADMM C[C@H](C(=O)Nc1ccn(CC(=O)[O-])n1)N1[C@H](C)CC[C@H]1C ZINC001589322907 953880838 /nfs/dbraw/zinc/88/08/38/953880838.db2.gz BBYKSCKDORBQJU-GMTAPVOTSA-N -1 1 294.355 1.168 20 0 CDADMM C[C@H]1CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC001589352546 954087825 /nfs/dbraw/zinc/08/78/25/954087825.db2.gz CVJRAFWIILQZKE-JTQLQIEISA-N -1 1 262.309 1.665 20 0 CDADMM C[C@@H]1CCN(Cc2cn(C)nc2Cl)C[C@@H]1C(=O)[O-] ZINC001589356033 954144775 /nfs/dbraw/zinc/14/47/75/954144775.db2.gz XPJOKEVZSKLTNI-SCZZXKLOSA-N -1 1 271.748 1.616 20 0 CDADMM CN(CCC(=O)[O-])[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC001593737046 954344970 /nfs/dbraw/zinc/34/49/70/954344970.db2.gz QMPQJHYGNLQIQH-LBPRGKRZSA-N -1 1 280.299 1.338 20 0 CDADMM C[C@@H]1CN(CN2CCSC2=S)CC[C@@H]1C(=O)[O-] ZINC001589398706 954387034 /nfs/dbraw/zinc/38/70/34/954387034.db2.gz HKIWDNHFJUJEAH-BDAKNGLRSA-N 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/nfs/dbraw/zinc/10/93/34/955109334.db2.gz HNKKOHNYRZQTEU-RXMQYKEDSA-N -1 1 279.159 1.716 20 0 CDADMM Cc1nnc(N(C)C(=O)c2ccc([O-])cn2)s1 ZINC001298813962 955247729 /nfs/dbraw/zinc/24/77/29/955247729.db2.gz PTJIOZSQOWQSQV-UHFFFAOYSA-N -1 1 250.283 1.224 20 0 CDADMM O=C(c1cncc([O-])c1)N1CCc2cc(O)ccc2C1 ZINC001365175460 955678751 /nfs/dbraw/zinc/67/87/51/955678751.db2.gz ICRLSAWIAADJCH-UHFFFAOYSA-N -1 1 270.288 1.691 20 0 CDADMM CCc1[nH]c(=O)c(C(=O)Nc2c(C)[n-][nH]c2=O)cc1C ZINC001363376461 972124294 /nfs/dbraw/zinc/12/42/94/972124294.db2.gz OASWXDGRZIARKX-UHFFFAOYSA-N -1 1 276.296 1.647 20 0 CDADMM Cn1nc(-c2nc([C@@H](N)CC(=O)[O-])no2)c2ccccc21 ZINC001594560606 955805972 /nfs/dbraw/zinc/80/59/72/955805972.db2.gz WHHXJGNUYLJVRG-QMMMGPOBSA-N -1 1 287.279 1.098 20 0 CDADMM Cn1ncc(C(=O)[O-])c1CN1CCO[C@H](C(C)(C)C)CC1 ZINC001594580802 955965123 /nfs/dbraw/zinc/96/51/23/955965123.db2.gz FFLWYGNESFDMHT-ZDUSSCGKSA-N -1 1 295.383 1.755 20 0 CDADMM Cn1ncc(C(=O)[O-])c1CN1CCC[C@@H](OC2CCC2)C1 ZINC001594581315 955973203 /nfs/dbraw/zinc/97/32/03/955973203.db2.gz RURQWUGIVLSYNV-GFCCVEGCSA-N -1 1 293.367 1.652 20 0 CDADMM CC(=Cc1ccco1)C(=O)NC1(c2nn[n-]n2)CCC1 ZINC001303221376 956067916 /nfs/dbraw/zinc/06/79/16/956067916.db2.gz HEOMAKYWPXIWOC-CMDGGOBGSA-N -1 1 273.296 1.392 20 0 CDADMM CON(C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1)C(C)C ZINC001330704274 956578062 /nfs/dbraw/zinc/57/80/62/956578062.db2.gz IKSNMEFDSGFXIO-UHFFFAOYSA-N -1 1 292.295 1.156 20 0 CDADMM CCN(C(=O)c1cnc(C(C)C)[nH]1)[C@@H](C)C(=O)[O-] ZINC001327857316 957350679 /nfs/dbraw/zinc/35/06/79/957350679.db2.gz FIYWEGGTUWDSKG-QMMMGPOBSA-N -1 1 253.302 1.468 20 0 CDADMM C[C@@H](CN(C)CC(=O)Nc1ccccc1Cl)C(=O)[O-] ZINC000042705357 957424289 /nfs/dbraw/zinc/42/42/89/957424289.db2.gz DJQHTUWYGZUGDG-VIFPVBQESA-N -1 1 284.743 1.931 20 0 CDADMM O=C([O-])[C@@H](CO)NCc1c(F)ccc(F)c1Cl ZINC001332486182 957584208 /nfs/dbraw/zinc/58/42/08/957584208.db2.gz SKSHOSOUMSKWKB-MRVPVSSYSA-N -1 1 265.643 1.153 20 0 CDADMM Cn1nc(C(=O)[O-])cc1CN[C@@H]1C[C@H]1C(F)(F)F ZINC001330215225 957719439 /nfs/dbraw/zinc/71/94/39/957719439.db2.gz WHFRFKHJBMYUGN-RNFRBKRXSA-N -1 1 263.219 1.159 20 0 CDADMM Cc1cc(NC(=O)N(C)Cc2nnc[nH]2)ccc1C(=O)[O-] ZINC000080534123 957765739 /nfs/dbraw/zinc/76/57/39/957765739.db2.gz LNPXVMFQMOBFNS-UHFFFAOYSA-N -1 1 289.295 1.475 20 0 CDADMM O=C([O-])c1c[nH]nc1NC(=O)c1c(O)cccc1F ZINC001574788330 957794994 /nfs/dbraw/zinc/79/49/94/957794994.db2.gz POVWNMWANOCIDN-UHFFFAOYSA-N -1 1 265.200 1.205 20 0 CDADMM O=C([O-])c1cc(NC(=O)c2cccc3cn[nH]c32)ccn1 ZINC001574791024 957808329 /nfs/dbraw/zinc/80/83/29/957808329.db2.gz DNYWFKDDHXLJRJ-UHFFFAOYSA-N -1 1 282.259 1.908 20 0 CDADMM Cc1cc(C)cc(Cn2cc(CNCC(=O)[O-])nn2)c1 ZINC001594298216 957884443 /nfs/dbraw/zinc/88/44/43/957884443.db2.gz HKUQSNCSJPPLPN-UHFFFAOYSA-N -1 1 274.324 1.117 20 0 CDADMM CSC[C@H](NCc1sc(C)nc1C)C(=O)[O-] ZINC001333186161 958137495 /nfs/dbraw/zinc/13/74/95/958137495.db2.gz DOGYPFAAFKDXRL-QMMMGPOBSA-N -1 1 260.384 1.666 20 0 CDADMM C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1nc(=O)c2sccc2[n-]1 ZINC000092939503 958203973 /nfs/dbraw/zinc/20/39/73/958203973.db2.gz OUEQUWKKDWXENW-SFYZADRCSA-N -1 1 293.348 1.692 20 0 CDADMM O=c1[n-]n(Cc2ccccn2)c(=O)c2cc(F)c(F)cc12 ZINC001318821355 958271909 /nfs/dbraw/zinc/27/19/09/958271909.db2.gz CMCSNIPPWMTVLY-UHFFFAOYSA-N -1 1 289.241 1.824 20 0 CDADMM Cc1cc(CN2CCC3(CC2)OCCO3)oc1C(=O)[O-] ZINC000125476993 958564928 /nfs/dbraw/zinc/56/49/28/958564928.db2.gz BNMQTKRNAQFIMT-UHFFFAOYSA-N -1 1 281.308 1.625 20 0 CDADMM C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)C[C@H](C)N1C ZINC000128010242 958626962 /nfs/dbraw/zinc/62/69/62/958626962.db2.gz ICGHHKNWYYBYOB-PHIMTYICSA-N -1 1 291.351 1.941 20 0 CDADMM Cc1cccc([C@H](NC(=O)CN(C)C2CCC2)C(=O)[O-])c1 ZINC001594391692 958734151 /nfs/dbraw/zinc/73/41/51/958734151.db2.gz JZBNEKYABBIJOG-HNNXBMFYSA-N -1 1 290.363 1.721 20 0 CDADMM Cc1cccc(OCCCC(=O)N(C)c2nn[n-]n2)c1 ZINC001334274101 958991284 /nfs/dbraw/zinc/99/12/84/958991284.db2.gz LZANRVVZHBIFNF-UHFFFAOYSA-N -1 1 275.312 1.330 20 0 CDADMM CC(C)C[C@@H](NC(=O)[C@@H]1CCN1C(C)(C)C)C(=O)[O-] ZINC001573524494 959137281 /nfs/dbraw/zinc/13/72/81/959137281.db2.gz GWVBDCWDUJGRNZ-MNOVXSKESA-N -1 1 270.373 1.475 20 0 CDADMM CSc1ccc(Cn2cc(CNCC(=O)[O-])nn2)cc1 ZINC001594193501 959179430 /nfs/dbraw/zinc/17/94/30/959179430.db2.gz IHTNNTQMCWGVBF-UHFFFAOYSA-N -1 1 292.364 1.223 20 0 CDADMM C[C@@H](CNC(=O)c1ccc(CN2CCCC2)o1)C(=O)[O-] ZINC001573552964 959239434 /nfs/dbraw/zinc/23/94/34/959239434.db2.gz UVGGUASXCCWPQB-JTQLQIEISA-N -1 1 280.324 1.326 20 0 CDADMM C[C@@H](NCc1nc(Br)cs1)C(=O)[O-] ZINC001573578726 959340828 /nfs/dbraw/zinc/34/08/28/959340828.db2.gz LGRASYJUXUTACW-SCSAIBSYSA-N -1 1 265.132 1.468 20 0 CDADMM CO[C@H](C)[C@@H](C)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001334794421 959369574 /nfs/dbraw/zinc/36/95/74/959369574.db2.gz QYYWCDYGHRATGP-BWZBUEFSSA-N -1 1 258.343 1.915 20 0 CDADMM C[C@@H]1CCCN(C(=O)[C@@H]2CCN2C(C)(C)C)[C@H]1C(=O)[O-] ZINC001573723816 959889105 /nfs/dbraw/zinc/88/91/05/959889105.db2.gz XDAKAHGWGFLEHS-GRYCIOLGSA-N -1 1 282.384 1.571 20 0 CDADMM CC(C)CN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000232637899 960288602 /nfs/dbraw/zinc/28/86/02/960288602.db2.gz RZMWJNIEQPHOGM-QWHCGFSZSA-N -1 1 282.384 1.288 20 0 CDADMM CCc1nnc([N-]C(=O)c2ocnc2CC)s1 ZINC001336423928 960344390 /nfs/dbraw/zinc/34/43/90/960344390.db2.gz OVQXEJFAUVQECW-UHFFFAOYSA-N -1 1 252.299 1.903 20 0 CDADMM NC(=O)c1ccc(CNC(=O)c2ccc(F)c([O-])c2)cc1 ZINC001433579754 960413760 /nfs/dbraw/zinc/41/37/60/960413760.db2.gz JYQKWBOBSZLJCG-UHFFFAOYSA-N -1 1 288.278 1.560 20 0 CDADMM C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573738558 960470590 /nfs/dbraw/zinc/47/05/90/960470590.db2.gz IKOMYBGPHFDWRN-DNJQJEMRSA-N -1 1 291.351 1.445 20 0 CDADMM O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)c1 ZINC001571034972 960516441 /nfs/dbraw/zinc/51/64/41/960516441.db2.gz FBZQLAWDQHCOMH-RKDXNWHRSA-N -1 1 289.266 1.989 20 0 CDADMM O=C(c1ccc(F)c([O-])c1)N1CC(=O)Nc2cnccc21 ZINC001433737513 960571823 /nfs/dbraw/zinc/57/18/23/960571823.db2.gz XAQFHEDQRCOYGH-UHFFFAOYSA-N -1 1 287.250 1.525 20 0 CDADMM CC[C@@H](C)N1CCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)CC1 ZINC001573776290 960684996 /nfs/dbraw/zinc/68/49/96/960684996.db2.gz JWQPDCFGRQUJSN-GYSYKLTISA-N -1 1 268.357 1.040 20 0 CDADMM C[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)C1=NN(C)CC1=O ZINC001571054649 960707348 /nfs/dbraw/zinc/70/73/48/960707348.db2.gz JAJPVQJRTRDYFF-ZCFIWIBFSA-N -1 1 295.320 1.376 20 0 CDADMM Cc1ccn(-c2cccc(C(=O)Nc3ccncc3[O-])c2)n1 ZINC001323511312 960782840 /nfs/dbraw/zinc/78/28/40/960782840.db2.gz MEFGDUOFACCEDA-UHFFFAOYSA-N -1 1 294.314 1.956 20 0 CDADMM CCC(CC)(NC(=O)c1nccn1C(C)C)c1nn[n-]n1 ZINC001433970416 960831180 /nfs/dbraw/zinc/83/11/80/960831180.db2.gz TUDYHLXFLNJNBJ-UHFFFAOYSA-N -1 1 291.359 1.422 20 0 CDADMM CN(C(=O)c1ccc([O-])cn1)[C@@H](CO)c1ccccc1 ZINC001434024488 960898813 /nfs/dbraw/zinc/89/88/13/960898813.db2.gz UIJUQYQZCRFQQX-AWEZNQCLSA-N -1 1 272.304 1.593 20 0 CDADMM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1cccc2[nH]nnc21 ZINC001574341731 960941862 /nfs/dbraw/zinc/94/18/62/960941862.db2.gz LJSLQTAKDZBCPS-NKWVEPMBSA-N -1 1 260.253 1.007 20 0 CDADMM CC(C)(C)c1nc(COC(=O)[C@@H](C(=O)[O-])C2CC2)n[nH]1 ZINC001588748097 961190996 /nfs/dbraw/zinc/19/09/96/961190996.db2.gz OYGKFWCEXZWSIW-SECBINFHSA-N -1 1 281.312 1.256 20 0 CDADMM CC(C)(C)c1nnc(COC(=O)[C@@H](C(=O)[O-])C2CC2)[nH]1 ZINC001588748097 961191010 /nfs/dbraw/zinc/19/10/10/961191010.db2.gz OYGKFWCEXZWSIW-SECBINFHSA-N -1 1 281.312 1.256 20 0 CDADMM CCCN1CCCC[C@H]1C(=O)NCCSCC(=O)[O-] ZINC001334979320 961862252 /nfs/dbraw/zinc/86/22/52/961862252.db2.gz FRJSQSIGDYAARK-NSHDSACASA-N -1 1 288.413 1.185 20 0 CDADMM CN1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C[C@@H]1C(C)(C)C ZINC001574031052 962020281 /nfs/dbraw/zinc/02/02/81/962020281.db2.gz YIRXFPLFHFRWJE-QJPTWQEYSA-N -1 1 282.384 1.286 20 0 CDADMM C[C@H](CNC(=O)c1ncccc1[O-])NCc1cscn1 ZINC001419741990 962060881 /nfs/dbraw/zinc/06/08/81/962060881.db2.gz YXUZBCUJZVSTQH-SECBINFHSA-N -1 1 292.364 1.152 20 0 CDADMM O=C([O-])c1ccc(NC(=O)Nc2c[nH]nn2)c(F)c1 ZINC001574598957 962145627 /nfs/dbraw/zinc/14/56/27/962145627.db2.gz GUWFSEPPBUFYOJ-UHFFFAOYSA-N -1 1 265.204 1.286 20 0 CDADMM COc1ccc2oc(C)c(C(=O)N(C)c3nn[n-]n3)c2c1 ZINC001437664010 963104909 /nfs/dbraw/zinc/10/49/09/963104909.db2.gz GEDMFCRGNGXLDP-UHFFFAOYSA-N -1 1 287.279 1.540 20 0 CDADMM CC(=O)NCCN(C)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000308153992 963262710 /nfs/dbraw/zinc/26/27/10/963262710.db2.gz LHZKIJXWVIHHRW-MRVPVSSYSA-N -1 1 254.286 1.107 20 0 CDADMM CC(C)(C)N1CC[C@H]1C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001571017382 963312054 /nfs/dbraw/zinc/31/20/54/963312054.db2.gz KCUNRQFYGWXBIB-LVEVGFFFSA-N -1 1 280.368 1.085 20 0 CDADMM COc1ncccc1C(=O)CSc1ncc(C)c(=O)[n-]1 ZINC001421406169 963593214 /nfs/dbraw/zinc/59/32/14/963593214.db2.gz KSSJDRFFLVEUPG-UHFFFAOYSA-N -1 1 291.332 1.869 20 0 CDADMM C[C@H](CC(=O)[O-])SCCN1C[C@@H](C)O[C@H](C)C1 ZINC000314202404 963724996 /nfs/dbraw/zinc/72/49/96/963724996.db2.gz OYNCIJWUFBFALY-GMTAPVOTSA-N -1 1 261.387 1.692 20 0 CDADMM CN(CC(=O)[N-]OCC(F)F)Cc1ccccc1 ZINC001342481715 963749940 /nfs/dbraw/zinc/74/99/40/963749940.db2.gz AVSNZOSBNQFOIC-UHFFFAOYSA-N -1 1 258.268 1.431 20 0 CDADMM CO[C@@H](CN[C@H](C)c1ncc(C(=O)[O-])s1)C1CC1 ZINC000315283931 963874384 /nfs/dbraw/zinc/87/43/84/963874384.db2.gz GYPQXBCBFGZLSW-APPZFPTMSA-N -1 1 270.354 1.917 20 0 CDADMM C[C@@H](CN1CCCC1=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000315328363 963882488 /nfs/dbraw/zinc/88/24/88/963882488.db2.gz MONUCPNZFOFQTI-IUCAKERBSA-N -1 1 297.380 1.503 20 0 CDADMM C[C@@H](C(=O)OCc1nn[n-]n1)c1ccc(F)cc1F ZINC001343941213 964189757 /nfs/dbraw/zinc/18/97/57/964189757.db2.gz OSQRDKSLRIRKTB-ZCFIWIBFSA-N -1 1 268.223 1.325 20 0 CDADMM O=C(OCc1nn[n-]n1)c1c2c(nc3ccccc31)CCC2 ZINC001343954312 964192819 /nfs/dbraw/zinc/19/28/19/964192819.db2.gz QPNNWNBABDYWSM-UHFFFAOYSA-N -1 1 295.302 1.594 20 0 CDADMM O=C(c1cc2c[nH]ccc-2n1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC001556303189 965025346 /nfs/dbraw/zinc/02/53/46/965025346.db2.gz RUJFEJSPCDXULH-SECBINFHSA-N -1 1 297.322 1.096 20 0 CDADMM Cc1cc(C)cc(CCC(=O)OCc2nn[n-]n2)c1 ZINC001346450912 965117677 /nfs/dbraw/zinc/11/76/77/965117677.db2.gz REZXZVYSGQCWPK-UHFFFAOYSA-N -1 1 260.297 1.493 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CC[C@H](C)C1 ZINC001346971243 965317639 /nfs/dbraw/zinc/31/76/39/965317639.db2.gz VWEDDOHCQLGOIW-LURJTMIESA-N -1 1 253.327 1.261 20 0 CDADMM O=C(/C=C\C1CCCC1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001347196956 965415762 /nfs/dbraw/zinc/41/57/62/965415762.db2.gz IGVTYIGTUZCPCX-ISALQUGTSA-N -1 1 261.329 1.262 20 0 CDADMM CSc1ncc(C(=O)NCC(C)(C)SC)c(=O)[n-]1 ZINC001444870402 965984142 /nfs/dbraw/zinc/98/41/42/965984142.db2.gz VTPWXNKIWMGNGF-UHFFFAOYSA-N -1 1 287.410 1.776 20 0 CDADMM NC(=O)c1ccc(CNC(=O)c2cccc([O-])c2F)o1 ZINC001445234503 966133023 /nfs/dbraw/zinc/13/30/23/966133023.db2.gz ZDORIXMUUGOEHN-UHFFFAOYSA-N -1 1 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C[C@@](O)(CNc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000736140837 575576644 /nfs/dbraw/zinc/57/66/44/575576644.db2.gz DEQHMIHOASSWQT-OAHLLOKOSA-N -1 1 296.334 1.581 20 0 CDADMM C[C@@](O)(CNc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000736140837 575576649 /nfs/dbraw/zinc/57/66/49/575576649.db2.gz DEQHMIHOASSWQT-OAHLLOKOSA-N -1 1 296.334 1.581 20 0 CDADMM C[C@@H]1C[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736235225 575596669 /nfs/dbraw/zinc/59/66/69/575596669.db2.gz FAGVRNHRIWZKDW-IYSWYEEDSA-N -1 1 250.693 1.735 20 0 CDADMM C[C@@H]1C[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736235225 575596672 /nfs/dbraw/zinc/59/66/72/575596672.db2.gz FAGVRNHRIWZKDW-IYSWYEEDSA-N -1 1 250.693 1.735 20 0 CDADMM CC[C@H](C)[C@H](O)CNc1cccc(-c2nnn[n-]2)n1 ZINC000736326011 575624227 /nfs/dbraw/zinc/62/42/27/575624227.db2.gz AYSWAUXRLYFBRJ-WCBMZHEXSA-N -1 1 262.317 1.081 20 0 CDADMM CC[C@H](C)[C@H](O)CNc1cccc(-c2nn[n-]n2)n1 ZINC000736326011 575624229 /nfs/dbraw/zinc/62/42/29/575624229.db2.gz AYSWAUXRLYFBRJ-WCBMZHEXSA-N -1 1 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ZINC000833602529 605105573 /nfs/dbraw/zinc/10/55/73/605105573.db2.gz RCMOKXLRAGRJST-BEFZUUHMSA-N -1 1 294.395 1.740 20 0 CDADMM C[C@H](O)C1CCN(Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC000833526296 605106707 /nfs/dbraw/zinc/10/67/07/605106707.db2.gz HUZTVRABVNMAES-VIFPVBQESA-N -1 1 252.314 1.306 20 0 CDADMM C[C@H]1CN(C(=O)C2CCCCC2)CCN1CCC(=O)[O-] ZINC000833617788 605258826 /nfs/dbraw/zinc/25/88/26/605258826.db2.gz HBDGOBPNXIWQSR-LBPRGKRZSA-N -1 1 282.384 1.574 20 0 CDADMM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000824143298 605292967 /nfs/dbraw/zinc/29/29/67/605292967.db2.gz LSTJUZGWFCNNEN-ZCFIWIBFSA-N -1 1 294.233 1.659 20 0 CDADMM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1nnc[nH]1 ZINC000230434880 605483242 /nfs/dbraw/zinc/48/32/42/605483242.db2.gz UAFCIVBMDABXSF-LURJTMIESA-N -1 1 293.258 1.525 20 0 CDADMM CCC[C@](C)(NC(=O)[C@H]1CCc2[nH]c(C)nc2C1)C(=O)[O-] ZINC000833648032 605779958 /nfs/dbraw/zinc/77/99/58/605779958.db2.gz NXDRPFOOKPEJFM-BONVTDFDSA-N -1 1 293.367 1.583 20 0 CDADMM CSCCCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821971257 606139506 /nfs/dbraw/zinc/13/95/06/606139506.db2.gz ZQICJQNMINLWKO-UHFFFAOYSA-N -1 1 284.366 1.838 20 0 CDADMM CSCCCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821971257 606139509 /nfs/dbraw/zinc/13/95/09/606139509.db2.gz ZQICJQNMINLWKO-UHFFFAOYSA-N -1 1 284.366 1.838 20 0 CDADMM C[C@H]1CCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820716816 606417092 /nfs/dbraw/zinc/41/70/92/606417092.db2.gz LNCNJVLBHCXAES-ZETCQYMHSA-N -1 1 264.720 1.904 20 0 CDADMM C[C@H]1CCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820716816 606417094 /nfs/dbraw/zinc/41/70/94/606417094.db2.gz LNCNJVLBHCXAES-ZETCQYMHSA-N -1 1 264.720 1.904 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)[C@H](C)CO1 ZINC000820743931 606506336 /nfs/dbraw/zinc/50/63/36/606506336.db2.gz WTDYFTCQULQBDC-HTQZYQBOSA-N -1 1 293.352 1.178 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)[C@H](C)CO1 ZINC000820743931 606506337 /nfs/dbraw/zinc/50/63/37/606506337.db2.gz WTDYFTCQULQBDC-HTQZYQBOSA-N -1 1 293.352 1.178 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)C1CCCCC1 ZINC000095216897 606530185 /nfs/dbraw/zinc/53/01/85/606530185.db2.gz NCIGPWPQBXNAGZ-UHFFFAOYSA-N -1 1 261.289 1.109 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)C1CCCCC1 ZINC000095216897 606530187 /nfs/dbraw/zinc/53/01/87/606530187.db2.gz NCIGPWPQBXNAGZ-UHFFFAOYSA-N -1 1 261.289 1.109 20 0 CDADMM CN(C[C@@H]1CCCO1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821596893 606545142 /nfs/dbraw/zinc/54/51/42/606545142.db2.gz XUBHLNCFTFMWPF-QMMMGPOBSA-N -1 1 293.352 1.179 20 0 CDADMM CN(C[C@@H]1CCCO1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821596893 606545143 /nfs/dbraw/zinc/54/51/43/606545143.db2.gz XUBHLNCFTFMWPF-QMMMGPOBSA-N -1 1 293.352 1.179 20 0 CDADMM O=C(N[C@H]1CC=CCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823144366 606568725 /nfs/dbraw/zinc/56/87/25/606568725.db2.gz FPNDVPZNSASSNZ-QMMMGPOBSA-N -1 1 275.337 1.767 20 0 CDADMM O=C(N[C@H]1CC=CCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823144366 606568726 /nfs/dbraw/zinc/56/87/26/606568726.db2.gz FPNDVPZNSASSNZ-QMMMGPOBSA-N -1 1 275.337 1.767 20 0 CDADMM Cc1cccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000822288925 606651187 /nfs/dbraw/zinc/65/11/87/606651187.db2.gz NINRURGPSRIRTB-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1cccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000822288925 606651188 /nfs/dbraw/zinc/65/11/88/606651188.db2.gz NINRURGPSRIRTB-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM CC(C)(C)OC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824099508 607863112 /nfs/dbraw/zinc/86/31/12/607863112.db2.gz IINXGQKJBINCJT-UHFFFAOYSA-N -1 1 294.286 1.726 20 0 CDADMM CC(C)(C)OC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824099508 607863113 /nfs/dbraw/zinc/86/31/13/607863113.db2.gz IINXGQKJBINCJT-UHFFFAOYSA-N -1 1 294.286 1.726 20 0 CDADMM CC(C)CSCCNc1nccnc1-c1nnn[n-]1 ZINC000824274464 607905125 /nfs/dbraw/zinc/90/51/25/607905125.db2.gz IHCLPUDWMMJGAU-UHFFFAOYSA-N -1 1 279.373 1.458 20 0 CDADMM CC(C)CSCCNc1nccnc1-c1nn[n-]n1 ZINC000824274464 607905126 /nfs/dbraw/zinc/90/51/26/607905126.db2.gz IHCLPUDWMMJGAU-UHFFFAOYSA-N -1 1 279.373 1.458 20 0 CDADMM Fc1cccc2c1CCN(c1cccc(-c3nnn[n-]3)n1)C2 ZINC000826377995 607936998 /nfs/dbraw/zinc/93/69/98/607936998.db2.gz QBWXVVSTHLKXEQ-UHFFFAOYSA-N -1 1 296.309 1.964 20 0 CDADMM Fc1cccc2c1CCN(c1cccc(-c3nn[n-]n3)n1)C2 ZINC000826377995 607936999 /nfs/dbraw/zinc/93/69/99/607936999.db2.gz QBWXVVSTHLKXEQ-UHFFFAOYSA-N -1 1 296.309 1.964 20 0 CDADMM CCc1nc(Cn2ccnc2-c2nnn[n-]2)cs1 ZINC000825750508 608012917 /nfs/dbraw/zinc/01/29/17/608012917.db2.gz RJHNYZXXROLLSV-UHFFFAOYSA-N -1 1 261.314 1.130 20 0 CDADMM CCc1nc(Cn2ccnc2-c2nn[n-]n2)cs1 ZINC000825750508 608012918 /nfs/dbraw/zinc/01/29/18/608012918.db2.gz RJHNYZXXROLLSV-UHFFFAOYSA-N -1 1 261.314 1.130 20 0 CDADMM CCCCC[C@@H](C)NC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000825267150 608014035 /nfs/dbraw/zinc/01/40/35/608014035.db2.gz IXYOVYHNQGLALA-SNVBAGLBSA-N -1 1 291.359 1.148 20 0 CDADMM CCCCC[C@@H](C)NC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000825267150 608014036 /nfs/dbraw/zinc/01/40/36/608014036.db2.gz IXYOVYHNQGLALA-SNVBAGLBSA-N -1 1 291.359 1.148 20 0 CDADMM c1cc2c(s1)CN(c1cccc(-c3nnn[n-]3)n1)CC2 ZINC000826514460 608019147 /nfs/dbraw/zinc/01/91/47/608019147.db2.gz RPAFBIQXCQPVAM-UHFFFAOYSA-N -1 1 284.348 1.886 20 0 CDADMM c1cc2c(s1)CN(c1cccc(-c3nn[n-]n3)n1)CC2 ZINC000826514460 608019148 /nfs/dbraw/zinc/01/91/48/608019148.db2.gz RPAFBIQXCQPVAM-UHFFFAOYSA-N -1 1 284.348 1.886 20 0 CDADMM C[C@H]1CCC[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824925449 608142445 /nfs/dbraw/zinc/14/24/45/608142445.db2.gz CULFCXJTEOOHGS-GXSJLCMTSA-N -1 1 287.323 1.741 20 0 CDADMM C[C@H]1CCC[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824925449 608142446 /nfs/dbraw/zinc/14/24/46/608142446.db2.gz CULFCXJTEOOHGS-GXSJLCMTSA-N -1 1 287.323 1.741 20 0 CDADMM Cc1ocnc1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826343182 608209294 /nfs/dbraw/zinc/20/92/94/608209294.db2.gz PXVKJOBUNMCCDU-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1ocnc1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826343182 608209295 /nfs/dbraw/zinc/20/92/95/608209295.db2.gz PXVKJOBUNMCCDU-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM C[C@@H](Cc1cnn(C)c1)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858563482 617196196 /nfs/dbraw/zinc/19/61/96/617196196.db2.gz VJSQAJXNMUVVCE-ZETCQYMHSA-N -1 1 267.720 1.612 20 0 CDADMM CC(C)C[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824245160 608425915 /nfs/dbraw/zinc/42/59/15/608425915.db2.gz WERWWFZNURNBTN-SNVBAGLBSA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)C[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824245160 608425916 /nfs/dbraw/zinc/42/59/16/608425916.db2.gz WERWWFZNURNBTN-SNVBAGLBSA-N -1 1 273.344 1.529 20 0 CDADMM O[C@@H](CCNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC000826503117 608426403 /nfs/dbraw/zinc/42/64/03/608426403.db2.gz QXGYBGHQSYYYEX-LBPRGKRZSA-N -1 1 297.322 1.192 20 0 CDADMM O[C@@H](CCNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC000826503117 608426404 /nfs/dbraw/zinc/42/64/04/608426404.db2.gz QXGYBGHQSYYYEX-LBPRGKRZSA-N -1 1 297.322 1.192 20 0 CDADMM COc1cc(CNc2nc(-c3nn[n-]n3)ccc2C)ccn1 ZINC000826179653 608542109 /nfs/dbraw/zinc/54/21/09/608542109.db2.gz XZXBDZWDXXEWIZ-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM C[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C[C@@H]1F ZINC000824962357 609319466 /nfs/dbraw/zinc/31/94/66/609319466.db2.gz UBEDRXNGVPMWBA-BDAKNGLRSA-N -1 1 262.292 1.446 20 0 CDADMM C[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C[C@@H]1F ZINC000824962357 609319468 /nfs/dbraw/zinc/31/94/68/609319468.db2.gz UBEDRXNGVPMWBA-BDAKNGLRSA-N -1 1 262.292 1.446 20 0 CDADMM C[C@H]1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC000824914965 609389209 /nfs/dbraw/zinc/38/92/09/609389209.db2.gz ATSOQORMMJZXNM-HZMBPMFUSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@H]1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC000824914965 609389211 /nfs/dbraw/zinc/38/92/11/609389211.db2.gz ATSOQORMMJZXNM-HZMBPMFUSA-N -1 1 285.355 1.673 20 0 CDADMM Clc1nsc(N2CC=CCC2)c1-c1nnn[n-]1 ZINC000826353897 609430504 /nfs/dbraw/zinc/43/05/04/609430504.db2.gz IIBORICRODTVOC-UHFFFAOYSA-N -1 1 268.733 1.743 20 0 CDADMM Clc1nsc(N2CC=CCC2)c1-c1nn[n-]n1 ZINC000826353897 609430506 /nfs/dbraw/zinc/43/05/06/609430506.db2.gz IIBORICRODTVOC-UHFFFAOYSA-N -1 1 268.733 1.743 20 0 CDADMM FC1CN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000826370315 609595656 /nfs/dbraw/zinc/59/56/56/609595656.db2.gz MZOBBUVUZSQDIZ-UHFFFAOYSA-N -1 1 260.685 1.135 20 0 CDADMM FC1CN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000826370315 609595658 /nfs/dbraw/zinc/59/56/58/609595658.db2.gz MZOBBUVUZSQDIZ-UHFFFAOYSA-N -1 1 260.685 1.135 20 0 CDADMM O=C(c1ncccc1[O-])N1CC(Cc2ccoc2)C1 ZINC000890572672 617214153 /nfs/dbraw/zinc/21/41/53/617214153.db2.gz JLHXAWGCGFZBJD-UHFFFAOYSA-N -1 1 258.277 1.695 20 0 CDADMM O=C(c1cc(F)ccc1[O-])N1CC[C@@H](O)[C@@H](F)C1 ZINC000890691851 617279758 /nfs/dbraw/zinc/27/97/58/617279758.db2.gz MNRBANKOLAZHTE-GXSJLCMTSA-N -1 1 257.236 1.076 20 0 CDADMM CCc1cc(=O)[n-]c(SCC(=O)OCC(C)C)n1 ZINC000041626610 617366255 /nfs/dbraw/zinc/36/62/55/617366255.db2.gz RNFRBTUNDRRVND-UHFFFAOYSA-N -1 1 270.354 1.624 20 0 CDADMM COCc1nc(NC[C@@H](O)c2ccccc2C)cc(=O)[n-]1 ZINC000892492665 617425554 /nfs/dbraw/zinc/42/55/54/617425554.db2.gz SDZLMMIGMYROTO-GFCCVEGCSA-N -1 1 289.335 1.783 20 0 CDADMM COCc1nc(N2CCCC[C@H](COC)C2)cc(=O)[n-]1 ZINC000893216629 617470171 /nfs/dbraw/zinc/47/01/71/617470171.db2.gz WMUWGMAZROUXHM-NSHDSACASA-N -1 1 281.356 1.582 20 0 CDADMM CCC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@H](C)C1 ZINC000955651498 614431514 /nfs/dbraw/zinc/43/15/14/614431514.db2.gz OBHINIKTQFDGRF-MNOVXSKESA-N -1 1 291.351 1.307 20 0 CDADMM CCC(=O)N1CCC(C)(NC(=O)c2ncccc2[O-])CC1 ZINC000956343213 614510987 /nfs/dbraw/zinc/51/09/87/614510987.db2.gz GMOQQUFDIGQTPG-UHFFFAOYSA-N -1 1 291.351 1.308 20 0 CDADMM CCC(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])[C@@H](C)C1 ZINC000945072643 614658385 /nfs/dbraw/zinc/65/83/85/614658385.db2.gz ITPSOTNEJDAWLL-WDEREUQCSA-N -1 1 291.351 1.164 20 0 CDADMM COCc1nc(N[C@@H]2CCC[C@@H]2CCO)cc(=O)[n-]1 ZINC000893281866 617515723 /nfs/dbraw/zinc/51/57/23/617515723.db2.gz IMGOQAODSDPOPV-NXEZZACHSA-N -1 1 267.329 1.292 20 0 CDADMM CCC(CC)n1nc(C(=O)N(C)c2nn[n-]n2)cc1C ZINC000892954511 617977789 /nfs/dbraw/zinc/97/77/89/617977789.db2.gz 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Cc1ccc(N[C@H]2C[C@@H](O)C23CCC3)c(-c2nn[n-]n2)n1 ZINC001605872334 1163699764 /nfs/dbraw/zinc/69/97/64/1163699764.db2.gz VVDJIDHNCMZACP-WDEREUQCSA-N -1 1 286.339 1.286 20 0 CDADMM Cc1ccc(N[C@H]2CO[C@H](C3CC3)C2)c(-c2nnn[n-]2)n1 ZINC001605872185 1163700888 /nfs/dbraw/zinc/70/08/88/1163700888.db2.gz SKMCBOHFARDZIY-PWSUYJOCSA-N -1 1 286.339 1.550 20 0 CDADMM Cc1ccc(N[C@H]2CO[C@H](C3CC3)C2)c(-c2nn[n-]n2)n1 ZINC001605872185 1163700892 /nfs/dbraw/zinc/70/08/92/1163700892.db2.gz SKMCBOHFARDZIY-PWSUYJOCSA-N -1 1 286.339 1.550 20 0 CDADMM Cc1ccc(NC[C@@H](C)Cn2cccn2)c(-c2nnn[n-]2)n1 ZINC001605873728 1163702865 /nfs/dbraw/zinc/70/28/65/1163702865.db2.gz HLOZGEGKHGUFIO-SNVBAGLBSA-N -1 1 298.354 1.515 20 0 CDADMM Cc1ccc(NC[C@@H](C)Cn2cccn2)c(-c2nn[n-]n2)n1 ZINC001605873728 1163702868 /nfs/dbraw/zinc/70/28/68/1163702868.db2.gz HLOZGEGKHGUFIO-SNVBAGLBSA-N -1 1 298.354 1.515 20 0 CDADMM Cc1ccnc(NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001605959223 1163729710 /nfs/dbraw/zinc/72/97/10/1163729710.db2.gz GHGLBOYIEGZGEE-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1cncc(CNCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001605984503 1163736564 /nfs/dbraw/zinc/73/65/64/1163736564.db2.gz NBPWAZCPPKOMJB-UHFFFAOYSA-N -1 1 287.352 1.316 20 0 CDADMM Cc1cncc(CNCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001605984503 1163736571 /nfs/dbraw/zinc/73/65/71/1163736571.db2.gz NBPWAZCPPKOMJB-UHFFFAOYSA-N -1 1 287.352 1.316 20 0 CDADMM Cc1[nH]nc(NCc2cccc3c2OCO3)c1-c1nnn[n-]1 ZINC001606014082 1163743065 /nfs/dbraw/zinc/74/30/65/1163743065.db2.gz PKXNBUBUCGRRRZ-UHFFFAOYSA-N -1 1 299.294 1.239 20 0 CDADMM Cc1[nH]nc(NCc2cccc3c2OCO3)c1-c1nn[n-]n1 ZINC001606014082 1163743072 /nfs/dbraw/zinc/74/30/72/1163743072.db2.gz PKXNBUBUCGRRRZ-UHFFFAOYSA-N -1 1 299.294 1.239 20 0 CDADMM Cc1nc(N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001606076282 1163765218 /nfs/dbraw/zinc/76/52/18/1163765218.db2.gz AYXHDINGUBIRLM-SFKDOBOXSA-N -1 1 271.328 1.422 20 0 CDADMM Cc1nc(N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001606076282 1163765224 /nfs/dbraw/zinc/76/52/24/1163765224.db2.gz AYXHDINGUBIRLM-SFKDOBOXSA-N -1 1 271.328 1.422 20 0 CDADMM Cc1noc([C@H](C)N(C)c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001606128027 1163780426 /nfs/dbraw/zinc/78/04/26/1163780426.db2.gz NGMGKBDBLAKTFK-ZETCQYMHSA-N -1 1 286.299 1.151 20 0 CDADMM Cc1noc([C@H](C)N(C)c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001606128027 1163780431 /nfs/dbraw/zinc/78/04/31/1163780431.db2.gz NGMGKBDBLAKTFK-ZETCQYMHSA-N -1 1 286.299 1.151 20 0 CDADMM Cc1noc([C@H]2CCCN2c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001606132306 1163782168 /nfs/dbraw/zinc/78/21/68/1163782168.db2.gz MMDYSESDDCJQSS-LLVKDONJSA-N -1 1 298.310 1.295 20 0 CDADMM Cc1noc([C@H]2CCCN2c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001606132306 1163782175 /nfs/dbraw/zinc/78/21/75/1163782175.db2.gz MMDYSESDDCJQSS-LLVKDONJSA-N -1 1 298.310 1.295 20 0 CDADMM Cc1nsc(NC[C@@H]2CCC[C@@H](O)C2)c1-c1nn[n-]n1 ZINC001606158110 1163791695 /nfs/dbraw/zinc/79/16/95/1163791695.db2.gz CZDCPBAPJBVACM-RKDXNWHRSA-N -1 1 294.384 1.595 20 0 CDADMM FC1(F)[C@@H]2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C[C@@H]21 ZINC001606300680 1163844953 /nfs/dbraw/zinc/84/49/53/1163844953.db2.gz KAIWKITZDDSUQJ-PRJMDXOYSA-N -1 1 293.281 1.502 20 0 CDADMM FC1(F)[C@@H]2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C[C@@H]21 ZINC001606300680 1163844957 /nfs/dbraw/zinc/84/49/57/1163844957.db2.gz KAIWKITZDDSUQJ-PRJMDXOYSA-N -1 1 293.281 1.502 20 0 CDADMM FC1(F)CCCC[C@H]1CNc1ncncc1-c1nn[n-]n1 ZINC001606300565 1163845505 /nfs/dbraw/zinc/84/55/05/1163845505.db2.gz WOJJZNOTTIEFTO-QMMMGPOBSA-N -1 1 295.297 1.894 20 0 CDADMM Fc1cc(Cl)ccc1Cn1ccnc1-c1nnn[n-]1 ZINC001606311862 1163853522 /nfs/dbraw/zinc/85/35/22/1163853522.db2.gz WWUSPJTXMWKPEX-UHFFFAOYSA-N -1 1 278.678 1.904 20 0 CDADMM Fc1cc(Cl)ccc1Cn1ccnc1-c1nn[n-]n1 ZINC001606311862 1163853528 /nfs/dbraw/zinc/85/35/28/1163853528.db2.gz WWUSPJTXMWKPEX-UHFFFAOYSA-N -1 1 278.678 1.904 20 0 CDADMM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1CCCSC ZINC001606375306 1163879805 /nfs/dbraw/zinc/87/98/05/1163879805.db2.gz RSHKPSVVAIRJPK-ZJUUUORDSA-N -1 1 275.370 1.078 20 0 CDADMM COC(=O)[C@@H]1CCN(Cc2cc(C(=O)[O-])co2)[C@H]1C ZINC001606412455 1163894084 /nfs/dbraw/zinc/89/40/84/1163894084.db2.gz ZXARLSDFVMANQZ-GZMMTYOYSA-N -1 1 267.281 1.361 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1ccoc1 ZINC001606831797 1164005865 /nfs/dbraw/zinc/00/58/65/1164005865.db2.gz BMSRVTFMVVZIIA-UHFFFAOYSA-N -1 1 275.293 1.451 20 0 CDADMM O=C(NCc1ccsc1)c1csc(-c2nn[n-]n2)c1 ZINC001606841910 1164011582 /nfs/dbraw/zinc/01/15/82/1164011582.db2.gz WKSSNIQLHBZUNN-UHFFFAOYSA-N -1 1 291.361 1.920 20 0 CDADMM COC[C@H]1C[C@@H](O)CN1Cc1cc(C(=O)[O-])ccc1F ZINC001606938827 1164033664 /nfs/dbraw/zinc/03/36/64/1164033664.db2.gz JEHYNIISZWHVPT-VXGBXAGGSA-N -1 1 283.299 1.106 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@H](CF)C1 ZINC001607016818 1164060336 /nfs/dbraw/zinc/06/03/36/1164060336.db2.gz HHJKLJFGSDKCEQ-QMMMGPOBSA-N -1 1 295.343 1.750 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H](CF)C1 ZINC001607016818 1164060339 /nfs/dbraw/zinc/06/03/39/1164060339.db2.gz HHJKLJFGSDKCEQ-QMMMGPOBSA-N -1 1 295.343 1.750 20 0 CDADMM O[C@H](CCNc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001607092349 1164078590 /nfs/dbraw/zinc/07/85/90/1164078590.db2.gz WBXSAIGRHSGNBH-CQSZACIVSA-N -1 1 296.334 1.797 20 0 CDADMM O[C@H](CCNc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001607092349 1164078598 /nfs/dbraw/zinc/07/85/98/1164078598.db2.gz WBXSAIGRHSGNBH-CQSZACIVSA-N -1 1 296.334 1.797 20 0 CDADMM O[C@@H]1CCCC[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001607108191 1164087363 /nfs/dbraw/zinc/08/73/63/1164087363.db2.gz JBGJDUYTZNPHFF-NXEZZACHSA-N -1 1 289.343 1.010 20 0 CDADMM O[C@@H]1CCCC[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001607108191 1164087371 /nfs/dbraw/zinc/08/73/71/1164087371.db2.gz JBGJDUYTZNPHFF-NXEZZACHSA-N -1 1 289.343 1.010 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@H]2CC[C@H](C3CC3)O2)c1 ZINC001607133342 1164112258 /nfs/dbraw/zinc/11/22/58/1164112258.db2.gz CYVUNZJGGYMXBN-ZYHUDNBSSA-N -1 1 286.339 1.631 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@H]2CC[C@H](C3CC3)O2)c1 ZINC001607133342 1164112264 /nfs/dbraw/zinc/11/22/64/1164112264.db2.gz CYVUNZJGGYMXBN-ZYHUDNBSSA-N -1 1 286.339 1.631 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NC[C@]12C[C@H]1COC21CCC1 ZINC001607136306 1164115913 /nfs/dbraw/zinc/11/59/13/1164115913.db2.gz CCHWLLLVLXRXLZ-TVQRCGJNSA-N -1 1 299.338 1.028 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NC[C@]12C[C@H]1COC21CCC1 ZINC001607136306 1164115918 /nfs/dbraw/zinc/11/59/18/1164115918.db2.gz CCHWLLLVLXRXLZ-TVQRCGJNSA-N -1 1 299.338 1.028 20 0 CDADMM COc1ccc(N2CCN(C/C(C)=C/C(=O)[O-])CC2)nc1 ZINC001607271289 1164140630 /nfs/dbraw/zinc/14/06/30/1164140630.db2.gz WOIDQMFJPQLSOC-FMIVXFBMSA-N -1 1 291.351 1.243 20 0 CDADMM Cc1cc(NC(=O)Cc2nc[nH]n2)sc1C(=O)[O-] ZINC001607681091 1164267068 /nfs/dbraw/zinc/26/70/68/1164267068.db2.gz PGEGQMRVZOXSOX-UHFFFAOYSA-N -1 1 266.282 1.054 20 0 CDADMM Cc1ccccc1[C@H](N)C(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001607879388 1164319983 /nfs/dbraw/zinc/31/99/83/1164319983.db2.gz ZWBFKVMSOPIDEU-JSGCOSHPSA-N -1 1 290.363 1.612 20 0 CDADMM Cc1ncc(CNc2nc3cccc(C(=O)[O-])c3[nH]2)cn1 ZINC001607980106 1164360353 /nfs/dbraw/zinc/36/03/53/1164360353.db2.gz MGZCHVFXDHUHKF-UHFFFAOYSA-N -1 1 283.291 1.972 20 0 CDADMM Cn1cc(CN2CCC(F)(F)[C@@H](CO)C2)cc1C(=O)[O-] ZINC001608112678 1164412610 /nfs/dbraw/zinc/41/26/10/1164412610.db2.gz OQLNRBLEMLVLCL-SNVBAGLBSA-N -1 1 288.294 1.173 20 0 CDADMM NC(=O)N1CCCN(Cc2cc(C(=O)[O-])cs2)CC1 ZINC001608237132 1164462934 /nfs/dbraw/zinc/46/29/34/1164462934.db2.gz RQXNUXLPQGOOJT-UHFFFAOYSA-N -1 1 283.353 1.033 20 0 CDADMM O=C([O-])c1ccc(NC(=O)Nc2c[nH]nn2)cc1F ZINC001608504892 1164529015 /nfs/dbraw/zinc/52/90/15/1164529015.db2.gz HRIZFMQEIOAFED-UHFFFAOYSA-N -1 1 265.204 1.286 20 0 CDADMM O=C([O-])[C@H](NCc1ccc(=O)[nH]c1)c1ccccc1F ZINC001608550156 1164543289 /nfs/dbraw/zinc/54/32/89/1164543289.db2.gz FLSTWMTXVMUQEE-CYBMUJFWSA-N -1 1 276.267 1.842 20 0 CDADMM O=C([O-])C[C@H]1COCCN1Cc1cccc2c1CCOC2 ZINC001608702235 1164611131 /nfs/dbraw/zinc/61/11/31/1164611131.db2.gz GDQTUEDFXUZWJS-AWEZNQCLSA-N -1 1 291.347 1.435 20 0 CDADMM O=C([O-])c1ccc(C(=O)N2CC(N3CCCC3)C2)cc1F ZINC001608871592 1164666798 /nfs/dbraw/zinc/66/67/98/1164666798.db2.gz BGEYOOKNKDASPG-UHFFFAOYSA-N -1 1 292.310 1.444 20 0 CDADMM C[C@H](CCC1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001609109492 1164773963 /nfs/dbraw/zinc/77/39/63/1164773963.db2.gz CMDXAQFCKZUZBW-MRVPVSSYSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@H](CCC1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001609109492 1164773971 /nfs/dbraw/zinc/77/39/71/1164773971.db2.gz CMDXAQFCKZUZBW-MRVPVSSYSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)C1CCC1 ZINC001609121983 1164779399 /nfs/dbraw/zinc/77/93/99/1164779399.db2.gz NLTCPNFYLYSCCW-ZETCQYMHSA-N -1 1 261.285 1.378 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)C1CCC1 ZINC001609121983 1164779404 /nfs/dbraw/zinc/77/94/04/1164779404.db2.gz NLTCPNFYLYSCCW-ZETCQYMHSA-N -1 1 261.285 1.378 20 0 CDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(F)F ZINC001609132198 1164786694 /nfs/dbraw/zinc/78/66/94/1164786694.db2.gz MHYUYEHDPSPTNR-RXMQYKEDSA-N -1 1 269.211 1.072 20 0 CDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(F)F ZINC001609132198 1164786696 /nfs/dbraw/zinc/78/66/96/1164786696.db2.gz MHYUYEHDPSPTNR-RXMQYKEDSA-N -1 1 269.211 1.072 20 0 CDADMM C[C@]1(CNc2cc(-c3nnn[n-]3)ncn2)CCCC[C@H]1O ZINC001609149370 1164797571 /nfs/dbraw/zinc/79/75/71/1164797571.db2.gz KSHZTNHHFRXYKV-ZWNOBZJWSA-N -1 1 289.343 1.010 20 0 CDADMM C[C@]1(CNc2cc(-c3nn[n-]n3)ncn2)CCCC[C@H]1O ZINC001609149370 1164797581 /nfs/dbraw/zinc/79/75/81/1164797581.db2.gz KSHZTNHHFRXYKV-ZWNOBZJWSA-N -1 1 289.343 1.010 20 0 CDADMM C[C@]12CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]1C2(F)F ZINC001609152172 1164798685 /nfs/dbraw/zinc/79/86/85/1164798685.db2.gz VSNUFBNIVQHHIU-KCJUWKMLSA-N -1 1 293.281 1.138 20 0 CDADMM C[C@]12CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]1C2(F)F ZINC001609152172 1164798694 /nfs/dbraw/zinc/79/86/94/1164798694.db2.gz VSNUFBNIVQHHIU-KCJUWKMLSA-N -1 1 293.281 1.138 20 0 CDADMM C[C@@H]1C[C@@H](C)N(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001609154049 1164802538 /nfs/dbraw/zinc/80/25/38/1164802538.db2.gz IRFVQWNVLNLPHZ-RKDXNWHRSA-N -1 1 272.312 1.132 20 0 CDADMM C[C@@H]1C[C@@H](C)N(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001609154049 1164802541 /nfs/dbraw/zinc/80/25/41/1164802541.db2.gz IRFVQWNVLNLPHZ-RKDXNWHRSA-N -1 1 272.312 1.132 20 0 CDADMM CSC[C@H](C)[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000866814858 1164824789 /nfs/dbraw/zinc/82/47/89/1164824789.db2.gz WTCQNQJGNBGPET-LURJTMIESA-N -1 1 282.337 1.390 20 0 CDADMM CC[C@H]1CC[C@@H](C)N1c1cnc(-c2nnn[n-]2)cn1 ZINC001609200354 1164839181 /nfs/dbraw/zinc/83/91/81/1164839181.db2.gz UNKKFSIIFVLNOQ-BDAKNGLRSA-N -1 1 259.317 1.424 20 0 CDADMM CC[C@H]1CC[C@@H](C)N1c1cnc(-c2nn[n-]n2)cn1 ZINC001609200354 1164839186 /nfs/dbraw/zinc/83/91/86/1164839186.db2.gz UNKKFSIIFVLNOQ-BDAKNGLRSA-N -1 1 259.317 1.424 20 0 CDADMM CC[C@@]1(CO)CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001609197594 1164840131 /nfs/dbraw/zinc/84/01/31/1164840131.db2.gz KBAMTENJJXZLJQ-CQSZACIVSA-N -1 1 288.355 1.251 20 0 CDADMM CC[C@@]1(CO)CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001609197594 1164840135 /nfs/dbraw/zinc/84/01/35/1164840135.db2.gz KBAMTENJJXZLJQ-CQSZACIVSA-N -1 1 288.355 1.251 20 0 CDADMM CCc1ccccc1Cn1ccn2ncc(-c3nn[n-]n3)c12 ZINC001609253545 1164867856 /nfs/dbraw/zinc/86/78/56/1164867856.db2.gz WAIFWQKWKZYDDE-UHFFFAOYSA-N -1 1 293.334 1.927 20 0 CDADMM COC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)o1)C(C)C ZINC001609317969 1164897291 /nfs/dbraw/zinc/89/72/91/1164897291.db2.gz NQQSKTUQLZRAOM-SNVBAGLBSA-N -1 1 280.284 1.288 20 0 CDADMM COc1cnc(C=Cc2cccc(-c3nn[nH]n3)c2)[n-]c1=O ZINC001609333120 1164903223 /nfs/dbraw/zinc/90/32/23/1164903223.db2.gz NCQCKJXGLZZMCS-AATRIKPKSA-N -1 1 296.290 1.541 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(SC[C@H]2CCCO2)n1 ZINC001609392853 1164927088 /nfs/dbraw/zinc/92/70/88/1164927088.db2.gz JXRWMDWTLXTGRJ-MRVPVSSYSA-N -1 1 278.341 1.236 20 0 CDADMM Cc1ccc(N2CC[C@@H](CCCO)C2)nc1-c1nnn[n-]1 ZINC001609424956 1164941295 /nfs/dbraw/zinc/94/12/95/1164941295.db2.gz QEGUQTPLUOBWEZ-LLVKDONJSA-N -1 1 288.355 1.169 20 0 CDADMM Cc1ccc(N2CC[C@@H](CCCO)C2)nc1-c1nn[n-]n1 ZINC001609424956 1164941299 /nfs/dbraw/zinc/94/12/99/1164941299.db2.gz QEGUQTPLUOBWEZ-LLVKDONJSA-N -1 1 288.355 1.169 20 0 CDADMM Cc1ccc(NC[C@@H](O)c2ccccn2)nc1-c1nnn[n-]1 ZINC001609426332 1164942202 /nfs/dbraw/zinc/94/22/02/1164942202.db2.gz ODIXXPRXHXVUJU-LLVKDONJSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1ccc(NC[C@@H](O)c2ccccn2)nc1-c1nn[n-]n1 ZINC001609426332 1164942207 /nfs/dbraw/zinc/94/22/07/1164942207.db2.gz ODIXXPRXHXVUJU-LLVKDONJSA-N -1 1 297.322 1.111 20 0 CDADMM O=C(O[C@@H](C1CC1)C1CCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609573111 1164991811 /nfs/dbraw/zinc/99/18/11/1164991811.db2.gz WIUBPLIMRCGKNC-CYBMUJFWSA-N -1 1 299.334 1.997 20 0 CDADMM O=C(O[C@@H](C1CC1)C1CCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609573111 1164991814 /nfs/dbraw/zinc/99/18/14/1164991814.db2.gz WIUBPLIMRCGKNC-CYBMUJFWSA-N -1 1 299.334 1.997 20 0 CDADMM O=C(Oc1ccccc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609579237 1164997445 /nfs/dbraw/zinc/99/74/45/1164997445.db2.gz KGYYRLDDHKFVGQ-UHFFFAOYSA-N -1 1 267.248 1.481 20 0 CDADMM O=C(Oc1ccccc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609579237 1164997447 /nfs/dbraw/zinc/99/74/47/1164997447.db2.gz KGYYRLDDHKFVGQ-UHFFFAOYSA-N -1 1 267.248 1.481 20 0 CDADMM c1ccc2c(c1)CCCN(c1ncncc1-c1nn[n-]n1)C2 ZINC001609617979 1165012158 /nfs/dbraw/zinc/01/21/58/1165012158.db2.gz LFIVJPHBGASMDG-UHFFFAOYSA-N -1 1 293.334 1.610 20 0 CDADMM C[C@@H](C(=O)OC(C)(C)C)N1CCSC[C@H](C(=O)[O-])C1 ZINC001609645891 1165026475 /nfs/dbraw/zinc/02/64/75/1165026475.db2.gz AAPRWUCGKZIRHN-VHSXEESVSA-N -1 1 289.397 1.466 20 0 CDADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](n2cncn2)C1 ZINC001609809294 1165089864 /nfs/dbraw/zinc/08/98/64/1165089864.db2.gz YLRKKUIPZWRHLP-ZJUUUORDSA-N -1 1 276.296 1.577 20 0 CDADMM CC(C)NC(=O)NC1([P@](=O)([O-])O)Cc2ccccc2C1 ZINC001202529880 1165140725 /nfs/dbraw/zinc/14/07/25/1165140725.db2.gz DBMMKNRNBQMVKQ-UHFFFAOYSA-N -1 1 298.279 1.367 20 0 CDADMM COc1cc(F)cc(CN2CCC([C@@H](O)C(=O)[O-])CC2)c1 ZINC001610296861 1165285373 /nfs/dbraw/zinc/28/53/73/1165285373.db2.gz GEZKZOCBJVGMJX-CQSZACIVSA-N -1 1 297.326 1.492 20 0 CDADMM Cc1coc(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)c1C ZINC001610542734 1165348385 /nfs/dbraw/zinc/34/83/85/1165348385.db2.gz HTFNKIYHCJPXTJ-UHFFFAOYSA-N -1 1 294.351 1.517 20 0 CDADMM Cc1oc(CNC2(c3nnn[n-]3)CCCC2)cc1C(=O)[O-] ZINC001610584910 1165366575 /nfs/dbraw/zinc/36/65/75/1165366575.db2.gz SVCZUNQJTVZZEM-UHFFFAOYSA-N -1 1 291.311 1.358 20 0 CDADMM Cc1oc(C[NH2+]C2(c3nnn[n-]3)CCCC2)cc1C(=O)[O-] ZINC001610584910 1165366583 /nfs/dbraw/zinc/36/65/83/1165366583.db2.gz SVCZUNQJTVZZEM-UHFFFAOYSA-N -1 1 291.311 1.358 20 0 CDADMM Cc1oc(CNC2(c3nn[nH]n3)CCCC2)cc1C(=O)[O-] ZINC001610584910 1165366586 /nfs/dbraw/zinc/36/65/86/1165366586.db2.gz SVCZUNQJTVZZEM-UHFFFAOYSA-N -1 1 291.311 1.358 20 0 CDADMM O=C([O-])c1cc(COC(=O)CCc2nc[nH]n2)cs1 ZINC001610660868 1165400548 /nfs/dbraw/zinc/40/05/48/1165400548.db2.gz PIVSCKMPCBYNBQ-UHFFFAOYSA-N -1 1 281.293 1.240 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1c[nH]nc1-c1ccccc1F ZINC001611379756 1165491166 /nfs/dbraw/zinc/49/11/66/1165491166.db2.gz JLCJECKAPSWVMQ-UHFFFAOYSA-N -1 1 287.254 1.897 20 0 CDADMM COc1c[nH]nc1NC(=O)c1cccc([O-])c1F ZINC001631759210 1166303011 /nfs/dbraw/zinc/30/30/11/1166303011.db2.gz ZEHKIQRZLSZLOJ-UHFFFAOYSA-N -1 1 251.217 1.515 20 0 CDADMM CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000095189474 1166606567 /nfs/dbraw/zinc/60/65/67/1166606567.db2.gz IBQLEJVRNFYHHN-UHFFFAOYSA-N -1 1 290.352 1.221 20 0 CDADMM CCC(CC)(NC(=O)c1cccc(OC)c1)c1nn[n-]n1 ZINC000095284787 1166618755 /nfs/dbraw/zinc/61/87/55/1166618755.db2.gz KZTDNHDOPYQQLF-UHFFFAOYSA-N -1 1 289.339 1.654 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cnnn1-c1cccc(F)c1 ZINC001638735744 1166868130 /nfs/dbraw/zinc/86/81/30/1166868130.db2.gz XHSFZEMABYXZQM-UHFFFAOYSA-N -1 1 288.242 1.087 20 0 CDADMM CC(C)(C)OC(=O)CCC(=O)Nc1c[n-][nH]c1=O ZINC001641600764 1167122549 /nfs/dbraw/zinc/12/25/49/1167122549.db2.gz DYSRNFYSXBWEIC-UHFFFAOYSA-N -1 1 255.274 1.176 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cnc(-c2ccccc2)[nH]1 ZINC001641601008 1167123092 /nfs/dbraw/zinc/12/30/92/1167123092.db2.gz KVHQCFQWESRCRU-UHFFFAOYSA-N -1 1 269.264 1.758 20 0 CDADMM O=C(NCc1nc2ccccc2c(=O)[nH]1)c1cncc([O-])c1 ZINC001641896092 1167143206 /nfs/dbraw/zinc/14/32/06/1167143206.db2.gz PYEBARJFNZWICQ-UHFFFAOYSA-N -1 1 296.286 1.366 20 0 CDADMM O=C(NCCc1nc2ccccc2o1)c1ccc([O-])cn1 ZINC001641919992 1167144887 /nfs/dbraw/zinc/14/48/87/1167144887.db2.gz RANRJXHMWDAXOY-UHFFFAOYSA-N -1 1 283.287 1.901 20 0 CDADMM CCc1cc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)no1 ZINC001642562961 1167180992 /nfs/dbraw/zinc/18/09/92/1167180992.db2.gz UGYVAXAEOVRFDW-LBPRGKRZSA-N -1 1 298.306 1.270 20 0 CDADMM Cc1cocc1C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001454253407 1167734506 /nfs/dbraw/zinc/73/45/06/1167734506.db2.gz GFYMZJPEBIFQGI-GFCCVEGCSA-N -1 1 283.291 1.621 20 0 CDADMM C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCC[C@@]2(C)C(=O)[O-])C1 ZINC001646908179 1168245694 /nfs/dbraw/zinc/24/56/94/1168245694.db2.gz MJDZNAUSRFARRO-ZSGNIPIJSA-N -1 1 291.351 1.541 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2ccnc(-n3cccn3)c2)c1[O-] ZINC001647934536 1169079096 /nfs/dbraw/zinc/07/90/96/1169079096.db2.gz LTMJRXZNXVBQLB-UHFFFAOYSA-N -1 1 284.279 1.257 20 0 CDADMM O=C(NN1CCCc2ccccc21)c1ccc([O-])cn1 ZINC001567966989 1169100197 /nfs/dbraw/zinc/10/01/97/1169100197.db2.gz SFUSNHXAQBXOPH-UHFFFAOYSA-N -1 1 269.304 1.885 20 0 CDADMM CSc1nc(CNC(=O)[C@H](C)n2cccc2)cc(=O)[n-]1 ZINC001649969823 1169552333 /nfs/dbraw/zinc/55/23/33/1169552333.db2.gz UAEWTZPKCSOODI-VIFPVBQESA-N -1 1 292.364 1.583 20 0 CDADMM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1c[nH]c(C(=O)[O-])n1 ZINC001573649696 1170720790 /nfs/dbraw/zinc/72/07/90/1170720790.db2.gz RBQPFJQGZNSTFD-LHLIQPBNSA-N -1 1 289.295 1.136 20 0 CDADMM O=C([O-])[C@H]1CCCCN1C(=O)c1c2[nH]cnc2ccc1F ZINC001574351895 1170955710 /nfs/dbraw/zinc/95/57/10/1170955710.db2.gz NJLSXSHHZAMMQD-SNVBAGLBSA-N -1 1 291.282 1.781 20 0 CDADMM O=C([O-])c1csc(NC(=O)c2cccc(F)c2O)n1 ZINC001574422471 1170977968 /nfs/dbraw/zinc/97/79/68/1170977968.db2.gz CLDIWPINSJWXIF-UHFFFAOYSA-N -1 1 282.252 1.938 20 0 CDADMM CCc1ccncc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001578547090 1171948923 /nfs/dbraw/zinc/94/89/23/1171948923.db2.gz SOZFSRMQGSQHAZ-UHFFFAOYSA-N -1 1 295.306 1.471 20 0 CDADMM CCc1ccncc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001578547090 1171948933 /nfs/dbraw/zinc/94/89/33/1171948933.db2.gz SOZFSRMQGSQHAZ-UHFFFAOYSA-N -1 1 295.306 1.471 20 0 CDADMM Cc1ccoc1C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001581295142 1172602638 /nfs/dbraw/zinc/60/26/38/1172602638.db2.gz LMLHFUGVRQYUIC-UHFFFAOYSA-N -1 1 284.279 1.440 20 0 CDADMM Cc1ccoc1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001581295142 1172602639 /nfs/dbraw/zinc/60/26/39/1172602639.db2.gz LMLHFUGVRQYUIC-UHFFFAOYSA-N -1 1 284.279 1.440 20 0 CDADMM C(=C/c1ccccc1)\CNc1cc(-c2nnn[n-]2)ncn1 ZINC001588380099 1173053070 /nfs/dbraw/zinc/05/30/70/1173053070.db2.gz TVYVWNMQBYEFMZ-QPJJXVBHSA-N -1 1 279.307 1.782 20 0 CDADMM C(=C/c1ccccc1)\CNc1cc(-c2nn[n-]n2)ncn1 ZINC001588380099 1173053072 /nfs/dbraw/zinc/05/30/72/1173053072.db2.gz TVYVWNMQBYEFMZ-QPJJXVBHSA-N -1 1 279.307 1.782 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC001588385086 1173056502 /nfs/dbraw/zinc/05/65/02/1173056502.db2.gz BXUDTTIHXDGUPL-PHIMTYICSA-N -1 1 268.324 1.664 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC001588385086 1173056505 /nfs/dbraw/zinc/05/65/05/1173056505.db2.gz BXUDTTIHXDGUPL-PHIMTYICSA-N -1 1 268.324 1.664 20 0 CDADMM CC(C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1)=C1CCC1 ZINC001589011572 1173120500 /nfs/dbraw/zinc/12/05/00/1173120500.db2.gz FATSEKHCAFKGBH-UHFFFAOYSA-N -1 1 273.300 1.337 20 0 CDADMM CC(C)(C)OCCCC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001589193807 1173128330 /nfs/dbraw/zinc/12/83/30/1173128330.db2.gz CCYYIUILFPGBEE-UHFFFAOYSA-N -1 1 293.331 1.124 20 0 CDADMM CC(C)(C)OCCCC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001589193807 1173128333 /nfs/dbraw/zinc/12/83/33/1173128333.db2.gz CCYYIUILFPGBEE-UHFFFAOYSA-N -1 1 293.331 1.124 20 0 CDADMM CC(C)[C@H]1N(c2ccnc(-c3nn[n-]n3)n2)CC12CC=CC2 ZINC001589518735 1173153032 /nfs/dbraw/zinc/15/30/32/1173153032.db2.gz IZYGNIIWLNMMEJ-GFCCVEGCSA-N -1 1 297.366 1.838 20 0 CDADMM CC(C)O[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001589739424 1173171067 /nfs/dbraw/zinc/17/10/67/1173171067.db2.gz JYUKOAVAVRGZQL-JTQLQIEISA-N -1 1 289.343 1.051 20 0 CDADMM CC(C)O[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001589739424 1173171071 /nfs/dbraw/zinc/17/10/71/1173171071.db2.gz JYUKOAVAVRGZQL-JTQLQIEISA-N -1 1 289.343 1.051 20 0 CDADMM CC(C)c1cncnc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589773932 1173177233 /nfs/dbraw/zinc/17/72/33/1173177233.db2.gz TUDKXIAQTNGEAH-UHFFFAOYSA-N -1 1 299.294 1.625 20 0 CDADMM CC(C)c1cncnc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589773932 1173177234 /nfs/dbraw/zinc/17/72/34/1173177234.db2.gz TUDKXIAQTNGEAH-UHFFFAOYSA-N -1 1 299.294 1.625 20 0 CDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001589879437 1173193137 /nfs/dbraw/zinc/19/31/37/1173193137.db2.gz PNNDEZOTLTUJEI-QMMMGPOBSA-N -1 1 261.333 1.751 20 0 CDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001589879437 1173193144 /nfs/dbraw/zinc/19/31/44/1173193144.db2.gz PNNDEZOTLTUJEI-QMMMGPOBSA-N -1 1 261.333 1.751 20 0 CDADMM CC1(C(=O)OCc2ccc(-c3nnn[n-]3)o2)CCOCC1 ZINC001590073934 1173244962 /nfs/dbraw/zinc/24/49/62/1173244962.db2.gz ODBPWKHEZHJIJE-UHFFFAOYSA-N -1 1 292.295 1.320 20 0 CDADMM CC1(C(=O)OCc2ccc(-c3nn[n-]n3)o2)CCOCC1 ZINC001590073934 1173244968 /nfs/dbraw/zinc/24/49/68/1173244968.db2.gz ODBPWKHEZHJIJE-UHFFFAOYSA-N -1 1 292.295 1.320 20 0 CDADMM CC1(C)CC[C@@H](CNc2cccc(-c3nnn[n-]3)n2)O1 ZINC001590089655 1173252089 /nfs/dbraw/zinc/25/20/89/1173252089.db2.gz AKPAEXKQGCZOFF-VIFPVBQESA-N -1 1 274.328 1.631 20 0 CDADMM CC1(C)CC[C@@H](CNc2cccc(-c3nn[n-]n3)n2)O1 ZINC001590089655 1173252093 /nfs/dbraw/zinc/25/20/93/1173252093.db2.gz AKPAEXKQGCZOFF-VIFPVBQESA-N -1 1 274.328 1.631 20 0 CDADMM C[C@@]1(O)CCCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001590150837 1173272524 /nfs/dbraw/zinc/27/25/24/1173272524.db2.gz QGDVSWZTLFIRSE-CYBMUJFWSA-N -1 1 274.328 1.003 20 0 CDADMM C[C@@]1(O)CCCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001590150837 1173272530 /nfs/dbraw/zinc/27/25/30/1173272530.db2.gz QGDVSWZTLFIRSE-CYBMUJFWSA-N -1 1 274.328 1.003 20 0 CDADMM Cc1nsc(NC[C@H]2CC(C)=NO2)c1-c1nn[n-]n1 ZINC001590163451 1173279657 /nfs/dbraw/zinc/27/96/57/1173279657.db2.gz VLKFMGFSSDWHMZ-SSDOTTSWSA-N -1 1 279.329 1.208 20 0 CDADMM C[C@H]1C[C@H](C(=O)Nc2ncc(-c3nnn[n-]3)s2)CCO1 ZINC001590184118 1173280839 /nfs/dbraw/zinc/28/08/39/1173280839.db2.gz DVYCAWVHVXCHQX-NKWVEPMBSA-N -1 1 294.340 1.077 20 0 CDADMM C[C@H]1C[C@H](C(=O)Nc2ncc(-c3nn[n-]n3)s2)CCO1 ZINC001590184118 1173280845 /nfs/dbraw/zinc/28/08/45/1173280845.db2.gz DVYCAWVHVXCHQX-NKWVEPMBSA-N -1 1 294.340 1.077 20 0 CDADMM CC1CC(OC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590213109 1173295889 /nfs/dbraw/zinc/29/58/89/1173295889.db2.gz BFNFXAXXERPLMC-UHFFFAOYSA-N -1 1 259.269 1.217 20 0 CDADMM CC1CC(OC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590213109 1173295896 /nfs/dbraw/zinc/29/58/96/1173295896.db2.gz BFNFXAXXERPLMC-UHFFFAOYSA-N -1 1 259.269 1.217 20 0 CDADMM C[C@H]1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590231258 1173308094 /nfs/dbraw/zinc/30/80/94/1173308094.db2.gz PWSDYKXRSPPECX-UWVGGRQHSA-N -1 1 286.339 1.428 20 0 CDADMM C[C@H]1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590231258 1173308100 /nfs/dbraw/zinc/30/81/00/1173308100.db2.gz PWSDYKXRSPPECX-UWVGGRQHSA-N -1 1 286.339 1.428 20 0 CDADMM C[C@@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001590233319 1173308763 /nfs/dbraw/zinc/30/87/63/1173308763.db2.gz ZMYPAGNUXNOXBN-RKDXNWHRSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001590233319 1173308769 /nfs/dbraw/zinc/30/87/69/1173308769.db2.gz ZMYPAGNUXNOXBN-RKDXNWHRSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@@H]1[C@@H](C)CCN1c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590276098 1173336390 /nfs/dbraw/zinc/33/63/90/1173336390.db2.gz JDLSDAKTEVKGFY-DTWKUNHWSA-N -1 1 285.355 1.769 20 0 CDADMM C[C@@H]1[C@@H](C)CCN1c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590276098 1173336394 /nfs/dbraw/zinc/33/63/94/1173336394.db2.gz JDLSDAKTEVKGFY-DTWKUNHWSA-N -1 1 285.355 1.769 20 0 CDADMM C[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC12CCC2 ZINC001590273984 1173337116 /nfs/dbraw/zinc/33/71/16/1173337116.db2.gz DQJTVAKLZKYCEN-JTQLQIEISA-N -1 1 285.355 1.673 20 0 CDADMM C[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC12CCC2 ZINC001590273984 1173337125 /nfs/dbraw/zinc/33/71/25/1173337125.db2.gz DQJTVAKLZKYCEN-JTQLQIEISA-N -1 1 285.355 1.673 20 0 CDADMM C[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CCO1 ZINC001590312290 1173348961 /nfs/dbraw/zinc/34/89/61/1173348961.db2.gz MQGIZUVRTKUAJU-ZETCQYMHSA-N -1 1 280.719 1.140 20 0 CDADMM C[C@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CCO1 ZINC001590312290 1173348966 /nfs/dbraw/zinc/34/89/66/1173348966.db2.gz MQGIZUVRTKUAJU-ZETCQYMHSA-N -1 1 280.719 1.140 20 0 CDADMM C[C@@H]1COC[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001590322983 1173355654 /nfs/dbraw/zinc/35/56/54/1173355654.db2.gz FFYFTVKOERDSKE-HTRCEHHLSA-N -1 1 280.719 1.362 20 0 CDADMM C[C@@H]1COC[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001590322983 1173355662 /nfs/dbraw/zinc/35/56/62/1173355662.db2.gz FFYFTVKOERDSKE-HTRCEHHLSA-N -1 1 280.719 1.362 20 0 CDADMM C[C@@H]1OCC[C@]1(C)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590333300 1173361978 /nfs/dbraw/zinc/36/19/78/1173361978.db2.gz DYVYZDMXCDUAHV-MADCSZMMSA-N -1 1 293.352 1.226 20 0 CDADMM C/C=C/C[C@@H](CO)Nc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001590353116 1173369460 /nfs/dbraw/zinc/36/94/60/1173369460.db2.gz OCTXSVGXCNODBM-FSIBCCDJSA-N -1 1 274.328 1.309 20 0 CDADMM C/C=C/C[C@@H](CO)Nc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001590353116 1173369463 /nfs/dbraw/zinc/36/94/63/1173369463.db2.gz OCTXSVGXCNODBM-FSIBCCDJSA-N -1 1 274.328 1.309 20 0 CDADMM CC[C@@H](C)c1nnc(Cc2noc(C)c2-c2nnn[n-]2)o1 ZINC001590417535 1173402319 /nfs/dbraw/zinc/40/23/19/1173402319.db2.gz JWHITHTTWLSUQX-ZCFIWIBFSA-N -1 1 289.299 1.650 20 0 CDADMM CC[C@@H](C)c1nnc(Cc2noc(C)c2-c2nn[n-]n2)o1 ZINC001590417535 1173402323 /nfs/dbraw/zinc/40/23/23/1173402323.db2.gz JWHITHTTWLSUQX-ZCFIWIBFSA-N -1 1 289.299 1.650 20 0 CDADMM CC[C@@H](CSC)N(C)c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001590446339 1173411140 /nfs/dbraw/zinc/41/11/40/1173411140.db2.gz ABIBLHLEQWOXSS-VIFPVBQESA-N -1 1 293.400 1.543 20 0 CDADMM CC[C@@H](CSC)N(C)c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001590446339 1173411144 /nfs/dbraw/zinc/41/11/44/1173411144.db2.gz ABIBLHLEQWOXSS-VIFPVBQESA-N -1 1 293.400 1.543 20 0 CDADMM CC[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)OC ZINC001590446012 1173412092 /nfs/dbraw/zinc/41/20/92/1173412092.db2.gz NSQIEEPOMHIUTP-SECBINFHSA-N -1 1 299.338 1.647 20 0 CDADMM CC[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)OC ZINC001590446012 1173412095 /nfs/dbraw/zinc/41/20/95/1173412095.db2.gz NSQIEEPOMHIUTP-SECBINFHSA-N -1 1 299.338 1.647 20 0 CDADMM CC[C@H]1[C@@H](C)CCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590502250 1173437512 /nfs/dbraw/zinc/43/75/12/1173437512.db2.gz MTJCYEMPLZNPKR-WPRPVWTQSA-N -1 1 275.312 1.720 20 0 CDADMM CC[C@H]1[C@@H](C)CCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590502250 1173437515 /nfs/dbraw/zinc/43/75/15/1173437515.db2.gz MTJCYEMPLZNPKR-WPRPVWTQSA-N -1 1 275.312 1.720 20 0 CDADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590503589 1173438762 /nfs/dbraw/zinc/43/87/62/1173438762.db2.gz PLPSDUVPQUPMQC-PSASIEDQSA-N -1 1 275.312 1.720 20 0 CDADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590503589 1173438767 /nfs/dbraw/zinc/43/87/67/1173438767.db2.gz PLPSDUVPQUPMQC-PSASIEDQSA-N -1 1 275.312 1.720 20 0 CDADMM CC[C@H]1CCC[C@@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590508348 1173439077 /nfs/dbraw/zinc/43/90/77/1173439077.db2.gz MXAMIKUUVYFRGH-ONGXEEELSA-N -1 1 258.329 1.674 20 0 CDADMM CC[C@H]1CCC[C@@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590508348 1173439083 /nfs/dbraw/zinc/43/90/83/1173439083.db2.gz MXAMIKUUVYFRGH-ONGXEEELSA-N -1 1 258.329 1.674 20 0 CDADMM CCC[C@@H](CNc1cccc(-c2nnn[n-]2)n1)OC ZINC001590558102 1173464289 /nfs/dbraw/zinc/46/42/89/1173464289.db2.gz KMJYOXVIVSORGF-VIFPVBQESA-N -1 1 262.317 1.489 20 0 CDADMM CCC[C@@H](CNc1cccc(-c2nn[n-]n2)n1)OC ZINC001590558102 1173464292 /nfs/dbraw/zinc/46/42/92/1173464292.db2.gz KMJYOXVIVSORGF-VIFPVBQESA-N -1 1 262.317 1.489 20 0 CDADMM CCCOCOc1ccc(F)nc1-c1nn[n-]n1 ZINC001590645513 1173481293 /nfs/dbraw/zinc/48/12/93/1173481293.db2.gz ZQUZXJSOVNAKLA-UHFFFAOYSA-N -1 1 253.237 1.164 20 0 CDADMM CCOC1CC(Cn2ccn3ncc(-c4nn[n-]n4)c23)C1 ZINC001590788906 1173509539 /nfs/dbraw/zinc/50/95/39/1173509539.db2.gz VHCPSNKRSMTHST-UHFFFAOYSA-N -1 1 287.327 1.131 20 0 CDADMM CCOC1CC2(C[C@@H]2Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590794880 1173512417 /nfs/dbraw/zinc/51/24/17/1173512417.db2.gz KMSVYLDEVQFQBP-SLYADPJGSA-N -1 1 287.327 1.026 20 0 CDADMM CCOC1CC2(C[C@@H]2Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590794880 1173512425 /nfs/dbraw/zinc/51/24/25/1173512425.db2.gz KMSVYLDEVQFQBP-SLYADPJGSA-N -1 1 287.327 1.026 20 0 CDADMM CCO[C@H]1C[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001590822462 1173522934 /nfs/dbraw/zinc/52/29/34/1173522934.db2.gz BUMOTCOZZCEKFY-OCAPTIKFSA-N -1 1 294.336 1.653 20 0 CDADMM CCO[C@H]1C[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001590822462 1173522936 /nfs/dbraw/zinc/52/29/36/1173522936.db2.gz BUMOTCOZZCEKFY-OCAPTIKFSA-N -1 1 294.336 1.653 20 0 CDADMM CCS[C@@H]1CCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590849947 1173523712 /nfs/dbraw/zinc/52/37/12/1173523712.db2.gz DFSSMGQLLWSWNH-RKDXNWHRSA-N -1 1 291.384 1.165 20 0 CDADMM CCc1[nH]ccc1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001590870530 1173533380 /nfs/dbraw/zinc/53/33/80/1173533380.db2.gz OWNJEOSSLCVQIT-UHFFFAOYSA-N -1 1 297.322 1.082 20 0 CDADMM CCc1[nH]ccc1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001590870530 1173533384 /nfs/dbraw/zinc/53/33/84/1173533384.db2.gz OWNJEOSSLCVQIT-UHFFFAOYSA-N -1 1 297.322 1.082 20 0 CDADMM CCc1ccccc1CNc1cncc(-c2nnn[n-]2)n1 ZINC001590897948 1173537051 /nfs/dbraw/zinc/53/70/51/1173537051.db2.gz ZSWQDRCEHZMWIG-UHFFFAOYSA-N -1 1 281.323 1.831 20 0 CDADMM CCc1ccccc1CNc1cncc(-c2nn[n-]n2)n1 ZINC001590897948 1173537056 /nfs/dbraw/zinc/53/70/56/1173537056.db2.gz ZSWQDRCEHZMWIG-UHFFFAOYSA-N -1 1 281.323 1.831 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC3(C2)CCCCC3)n1 ZINC001590905393 1173539384 /nfs/dbraw/zinc/53/93/84/1173539384.db2.gz WDNVVGNXRZCSJN-UHFFFAOYSA-N -1 1 299.382 1.990 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC3(C2)CCCCC3)n1 ZINC001590905393 1173539387 /nfs/dbraw/zinc/53/93/87/1173539387.db2.gz WDNVVGNXRZCSJN-UHFFFAOYSA-N -1 1 299.382 1.990 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCCC[C@H]2C)n1 ZINC001590908100 1173540353 /nfs/dbraw/zinc/54/03/53/1173540353.db2.gz ZEEUNOIQDULYBK-SNVBAGLBSA-N -1 1 287.371 1.988 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCCC[C@H]2C)n1 ZINC001590908100 1173540359 /nfs/dbraw/zinc/54/03/59/1173540359.db2.gz ZEEUNOIQDULYBK-SNVBAGLBSA-N -1 1 287.371 1.988 20 0 CDADMM CCc1nc(NC[C@H](CC)OC)cc(-c2nnn[n-]2)n1 ZINC001590917582 1173543874 /nfs/dbraw/zinc/54/38/74/1173543874.db2.gz TWQYGWGYPIJUEP-QMMMGPOBSA-N -1 1 277.332 1.056 20 0 CDADMM CCc1nc(NC[C@H](CC)OC)cc(-c2nn[n-]n2)n1 ZINC001590917582 1173543877 /nfs/dbraw/zinc/54/38/77/1173543877.db2.gz TWQYGWGYPIJUEP-QMMMGPOBSA-N -1 1 277.332 1.056 20 0 CDADMM CCc1nc(NC2CC(F)(F)C2)cc(-c2nnn[n-]2)n1 ZINC001590917674 1173544469 /nfs/dbraw/zinc/54/44/69/1173544469.db2.gz UUVPMTZPDPPUBY-UHFFFAOYSA-N -1 1 281.270 1.429 20 0 CDADMM CCc1nc(NC2CC(F)(F)C2)cc(-c2nn[n-]n2)n1 ZINC001590917674 1173544476 /nfs/dbraw/zinc/54/44/76/1173544476.db2.gz UUVPMTZPDPPUBY-UHFFFAOYSA-N -1 1 281.270 1.429 20 0 CDADMM CCn1ccnc1CNc1snc(C)c1-c1nn[n-]n1 ZINC001590961957 1173553749 /nfs/dbraw/zinc/55/37/49/1173553749.db2.gz JANHHJQQYUQLPB-UHFFFAOYSA-N -1 1 290.356 1.460 20 0 CDADMM CO[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CCC1 ZINC001591315279 1173602600 /nfs/dbraw/zinc/60/26/00/1173602600.db2.gz GSNAYDAFSMFMKW-LLVKDONJSA-N -1 1 288.311 1.015 20 0 CDADMM CO[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CCC1 ZINC001591315279 1173602607 /nfs/dbraw/zinc/60/26/07/1173602607.db2.gz GSNAYDAFSMFMKW-LLVKDONJSA-N -1 1 288.311 1.015 20 0 CDADMM CO[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC001591357133 1173627808 /nfs/dbraw/zinc/62/78/08/1173627808.db2.gz DYRBHYJMNUJTGY-MWLCHTKSSA-N -1 1 274.328 1.265 20 0 CDADMM CO[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC001591357133 1173627812 /nfs/dbraw/zinc/62/78/12/1173627812.db2.gz DYRBHYJMNUJTGY-MWLCHTKSSA-N -1 1 274.328 1.265 20 0 CDADMM COC/C(C)=C/COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591372244 1173633627 /nfs/dbraw/zinc/63/36/27/1173633627.db2.gz XSKKKVJXOMXPQF-RUDMXATFSA-N -1 1 289.295 1.011 20 0 CDADMM COC/C(C)=C/COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591372244 1173633631 /nfs/dbraw/zinc/63/36/31/1173633631.db2.gz XSKKKVJXOMXPQF-RUDMXATFSA-N -1 1 289.295 1.011 20 0 CDADMM COCC[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591398621 1173645209 /nfs/dbraw/zinc/64/52/09/1173645209.db2.gz ZIAHFAGMDMUUKU-QMMMGPOBSA-N -1 1 293.327 1.171 20 0 CDADMM COCC[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591398621 1173645214 /nfs/dbraw/zinc/64/52/14/1173645214.db2.gz ZIAHFAGMDMUUKU-QMMMGPOBSA-N -1 1 293.327 1.171 20 0 CDADMM CS[C@H](C)COC(=O)c1sccc1-c1nn[n-]n1 ZINC001591688963 1173678703 /nfs/dbraw/zinc/67/87/03/1173678703.db2.gz GEABAPDJMPYPOK-ZCFIWIBFSA-N -1 1 284.366 1.837 20 0 CDADMM COc1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)cn1 ZINC001591614947 1173674460 /nfs/dbraw/zinc/67/44/60/1173674460.db2.gz UWQZOVIGGCUOJF-UHFFFAOYSA-N -1 1 286.251 1.116 20 0 CDADMM COc1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)cn1 ZINC001591614947 1173674463 /nfs/dbraw/zinc/67/44/63/1173674463.db2.gz UWQZOVIGGCUOJF-UHFFFAOYSA-N -1 1 286.251 1.116 20 0 CDADMM COc1cccc(Cn2ccc(-c3nn[n-]n3)cc2=O)c1C ZINC001591639849 1173676396 /nfs/dbraw/zinc/67/63/96/1173676396.db2.gz JWNLWKVTDNOFKI-UHFFFAOYSA-N -1 1 297.318 1.394 20 0 CDADMM COc1ccc(Sc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001591621911 1173676925 /nfs/dbraw/zinc/67/69/25/1173676925.db2.gz NHKXHEUKONPGQO-UHFFFAOYSA-N -1 1 286.320 1.817 20 0 CDADMM COc1ccc(Sc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001591621911 1173676935 /nfs/dbraw/zinc/67/69/35/1173676935.db2.gz NHKXHEUKONPGQO-UHFFFAOYSA-N -1 1 286.320 1.817 20 0 CDADMM CSc1cccnc1NCc1cccc(-c2nn[n-]n2)n1 ZINC001591717572 1173691029 /nfs/dbraw/zinc/69/10/29/1173691029.db2.gz OMPRHNGULGOSKE-UHFFFAOYSA-N -1 1 299.363 1.991 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)c2ncccc2C)n1 ZINC001591890647 1173741878 /nfs/dbraw/zinc/74/18/78/1173741878.db2.gz FONLNIYWXQJGRY-JTQLQIEISA-N -1 1 296.338 1.842 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)c2ncccc2C)n1 ZINC001591890647 1173741885 /nfs/dbraw/zinc/74/18/85/1173741885.db2.gz FONLNIYWXQJGRY-JTQLQIEISA-N -1 1 296.338 1.842 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCC23CCC(CC2)C3)n1 ZINC001591894853 1173742062 /nfs/dbraw/zinc/74/20/62/1173742062.db2.gz APPJDBIQEGQCKJ-UHFFFAOYSA-N -1 1 285.355 1.957 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCC23CCC(CC2)C3)n1 ZINC001591894853 1173742068 /nfs/dbraw/zinc/74/20/68/1173742068.db2.gz APPJDBIQEGQCKJ-UHFFFAOYSA-N -1 1 285.355 1.957 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCCc2ncccc2C)n1 ZINC001591899312 1173744169 /nfs/dbraw/zinc/74/41/69/1173744169.db2.gz GJNVQPGDHUTCPD-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCCc2ncccc2C)n1 ZINC001591899312 1173744176 /nfs/dbraw/zinc/74/41/76/1173744176.db2.gz GJNVQPGDHUTCPD-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCCc2ccoc2)n1 ZINC001591899749 1173745157 /nfs/dbraw/zinc/74/51/57/1173745157.db2.gz VOYGEBHSVFHCGU-UHFFFAOYSA-N -1 1 271.284 1.213 20 0 CDADMM Cc1cc(N(C)C)ccc1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001591994665 1173767575 /nfs/dbraw/zinc/76/75/75/1173767575.db2.gz HXLHMBWUOWLPBJ-UHFFFAOYSA-N -1 1 296.338 1.775 20 0 CDADMM Cc1cc(N(C)C)ccc1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001591994665 1173767580 /nfs/dbraw/zinc/76/75/80/1173767580.db2.gz HXLHMBWUOWLPBJ-UHFFFAOYSA-N -1 1 296.338 1.775 20 0 CDADMM Cc1cc(N[C@@H]2C[C@@H]3CCC[C@@H]23)cc(-c2nnn[n-]2)n1 ZINC001592036382 1173779532 /nfs/dbraw/zinc/77/95/32/1173779532.db2.gz LGXMAICUCHJPOS-MVWJERBFSA-N -1 1 270.340 1.593 20 0 CDADMM Cc1cc(N[C@@H]2C[C@@H]3CCC[C@@H]23)cc(-c2nn[n-]n2)n1 ZINC001592036382 1173779537 /nfs/dbraw/zinc/77/95/37/1173779537.db2.gz LGXMAICUCHJPOS-MVWJERBFSA-N -1 1 270.340 1.593 20 0 CDADMM Cc1cc(NCC[C@@H]2CCOC2)nc(-c2nnn[n-]2)c1 ZINC001592045275 1173784131 /nfs/dbraw/zinc/78/41/31/1173784131.db2.gz CDTMFSSZELVTJV-SNVBAGLBSA-N -1 1 274.328 1.409 20 0 CDADMM Cc1cc(NCC[C@@H]2CCOC2)nc(-c2nn[n-]n2)c1 ZINC001592045275 1173784135 /nfs/dbraw/zinc/78/41/35/1173784135.db2.gz CDTMFSSZELVTJV-SNVBAGLBSA-N -1 1 274.328 1.409 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@H]1CC12CCC2 ZINC001592114411 1173804339 /nfs/dbraw/zinc/80/43/39/1173804339.db2.gz QXAYZQAKPZCGBH-JTQLQIEISA-N -1 1 256.313 1.925 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@H]1CCCSC1 ZINC001592115146 1173806228 /nfs/dbraw/zinc/80/62/28/1173806228.db2.gz ZAWILZTVIXLFQF-VIFPVBQESA-N -1 1 276.369 1.878 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@H]1CSC1(C)C ZINC001592112961 1173806302 /nfs/dbraw/zinc/80/63/02/1173806302.db2.gz CFOFAEHWPYISMG-VIFPVBQESA-N -1 1 276.369 1.876 20 0 CDADMM Cc1ccc(CC[C@@H](C)Nc2cc(-c3nnn[n-]3)ncn2)o1 ZINC001592150524 1173812133 /nfs/dbraw/zinc/81/21/33/1173812133.db2.gz CUDLNERTDPAUJU-SECBINFHSA-N -1 1 299.338 1.991 20 0 CDADMM Cc1ccc(CC[C@@H](C)Nc2cc(-c3nn[n-]n3)ncn2)o1 ZINC001592150524 1173812139 /nfs/dbraw/zinc/81/21/39/1173812139.db2.gz CUDLNERTDPAUJU-SECBINFHSA-N -1 1 299.338 1.991 20 0 CDADMM Cc1ccc(N2CC[C@H](C)[C@H]2C)nc1-c1nnn[n-]1 ZINC001592174993 1173822460 /nfs/dbraw/zinc/82/24/60/1173822460.db2.gz ONQKNSGDLMSOLS-WCBMZHEXSA-N -1 1 258.329 1.805 20 0 CDADMM Cc1ccc(N2CC[C@H](C)[C@H]2C)nc1-c1nn[n-]n1 ZINC001592174993 1173822462 /nfs/dbraw/zinc/82/24/62/1173822462.db2.gz ONQKNSGDLMSOLS-WCBMZHEXSA-N -1 1 258.329 1.805 20 0 CDADMM Cc1ccc(N2CCC(C)(CO)CC2)nc1-c1nnn[n-]1 ZINC001592175316 1173823241 /nfs/dbraw/zinc/82/32/41/1173823241.db2.gz PAAZAXQGASMPSQ-UHFFFAOYSA-N -1 1 288.355 1.169 20 0 CDADMM Cc1ccc(N2CCC(C)(CO)CC2)nc1-c1nn[n-]n1 ZINC001592175316 1173823246 /nfs/dbraw/zinc/82/32/46/1173823246.db2.gz PAAZAXQGASMPSQ-UHFFFAOYSA-N -1 1 288.355 1.169 20 0 CDADMM Cc1ccc(N[C@@H](CO)CC(C)C)nc1-c1nnn[n-]1 ZINC001592185442 1173830819 /nfs/dbraw/zinc/83/08/19/1173830819.db2.gz WLLBZEHHZOHJTG-SNVBAGLBSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1ccc(N[C@@H](CO)CC(C)C)nc1-c1nn[n-]n1 ZINC001592185442 1173830823 /nfs/dbraw/zinc/83/08/23/1173830823.db2.gz WLLBZEHHZOHJTG-SNVBAGLBSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1ccc2c(c1)[C@@H](Nc1cncc(-c3nnn[n-]3)n1)CO2 ZINC001592201032 1173833077 /nfs/dbraw/zinc/83/30/77/1173833077.db2.gz OTBURLDHHFHAGV-NSHDSACASA-N -1 1 295.306 1.511 20 0 CDADMM Cc1ccc2c(c1)[C@@H](Nc1cncc(-c3nn[n-]n3)n1)CO2 ZINC001592201032 1173833081 /nfs/dbraw/zinc/83/30/81/1173833081.db2.gz OTBURLDHHFHAGV-NSHDSACASA-N -1 1 295.306 1.511 20 0 CDADMM Cc1ccn(CN2CCC(C)(C)C2)c(=O)c1-c1nn[n-]n1 ZINC001592267324 1173838006 /nfs/dbraw/zinc/83/80/06/1173838006.db2.gz PFPIHIJJLGYFET-UHFFFAOYSA-N -1 1 288.355 1.026 20 0 CDADMM Cc1ccoc1CNc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001592283179 1173846796 /nfs/dbraw/zinc/84/67/96/1173846796.db2.gz CSXUYPHHEQVQFI-UHFFFAOYSA-N -1 1 285.311 1.981 20 0 CDADMM Cc1ccoc1CNc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592283179 1173846802 /nfs/dbraw/zinc/84/68/02/1173846802.db2.gz CSXUYPHHEQVQFI-UHFFFAOYSA-N -1 1 285.311 1.981 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N(C)C[C@H]2CC=CCC2)n1 ZINC001592338843 1173860587 /nfs/dbraw/zinc/86/05/87/1173860587.db2.gz QSHOTKXLVFOZET-NSHDSACASA-N -1 1 285.355 1.758 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N(C)C[C@H]2CC=CCC2)n1 ZINC001592338843 1173860591 /nfs/dbraw/zinc/86/05/91/1173860591.db2.gz QSHOTKXLVFOZET-NSHDSACASA-N -1 1 285.355 1.758 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCCCC[C@@H]2C)n1 ZINC001592341586 1173862076 /nfs/dbraw/zinc/86/20/76/1173862076.db2.gz XHTUCAGTWQFWJW-VIFPVBQESA-N -1 1 273.344 1.734 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCCCC[C@@H]2C)n1 ZINC001592341586 1173862077 /nfs/dbraw/zinc/86/20/77/1173862077.db2.gz XHTUCAGTWQFWJW-VIFPVBQESA-N -1 1 273.344 1.734 20 0 CDADMM Cc1nc(CNC(=O)c2ccc(-c3nnn[n-]3)o2)cs1 ZINC001592362403 1173867031 /nfs/dbraw/zinc/86/70/31/1173867031.db2.gz QMMTUSKHHQSPGX-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1nc(N[C@@H](C)[C@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001592378142 1173873653 /nfs/dbraw/zinc/87/36/53/1173873653.db2.gz DGLJGEKOKWAPDM-WPRPVWTQSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1nc(N[C@@H](C)[C@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001592378142 1173873656 /nfs/dbraw/zinc/87/36/56/1173873656.db2.gz DGLJGEKOKWAPDM-WPRPVWTQSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1nc(NCCc2cccs2)cc(-c2nnn[n-]2)n1 ZINC001592391074 1173879396 /nfs/dbraw/zinc/87/93/96/1173879396.db2.gz FVKVOEFOCIDAKP-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM Cc1nc(NCCc2cccs2)cc(-c2nn[n-]n2)n1 ZINC001592391074 1173879399 /nfs/dbraw/zinc/87/93/99/1173879399.db2.gz FVKVOEFOCIDAKP-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM Cc1nc(NCCc2ccoc2)cc(-c2nnn[n-]2)n1 ZINC001592391849 1173879725 /nfs/dbraw/zinc/87/97/25/1173879725.db2.gz URGDMIBTQQMVKC-UHFFFAOYSA-N -1 1 271.284 1.213 20 0 CDADMM Cc1nc(NCCc2ccoc2)cc(-c2nn[n-]n2)n1 ZINC001592391849 1173879729 /nfs/dbraw/zinc/87/97/29/1173879729.db2.gz URGDMIBTQQMVKC-UHFFFAOYSA-N -1 1 271.284 1.213 20 0 CDADMM Cc1nnc(-c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)o1 ZINC001592438424 1173892218 /nfs/dbraw/zinc/89/22/18/1173892218.db2.gz ZECQMOHSUQIRJN-UHFFFAOYSA-N -1 1 297.278 1.917 20 0 CDADMM Cc1nnc(-c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)o1 ZINC001592438424 1173892223 /nfs/dbraw/zinc/89/22/23/1173892223.db2.gz ZECQMOHSUQIRJN-UHFFFAOYSA-N -1 1 297.278 1.917 20 0 CDADMM Cc1nonc1CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001592466867 1173897373 /nfs/dbraw/zinc/89/73/73/1173897373.db2.gz KGJOGYDYFXKKLQ-UHFFFAOYSA-N -1 1 298.719 1.280 20 0 CDADMM FC(F)OCCCNc1cccnc1-c1nnn[n-]1 ZINC001592623302 1173932515 /nfs/dbraw/zinc/93/25/15/1173932515.db2.gz LUVWLGOHWIXQNU-UHFFFAOYSA-N -1 1 270.243 1.303 20 0 CDADMM FC(F)OCCCNc1cccnc1-c1nn[n-]n1 ZINC001592623302 1173932521 /nfs/dbraw/zinc/93/25/21/1173932521.db2.gz LUVWLGOHWIXQNU-UHFFFAOYSA-N -1 1 270.243 1.303 20 0 CDADMM Fc1cccc(Cn2cc(-c3nn[n-]n3)nn2)c1Cl ZINC001592656630 1173955608 /nfs/dbraw/zinc/95/56/08/1173955608.db2.gz GPJRZQOJWPQOFP-UHFFFAOYSA-N -1 1 279.666 1.299 20 0 CDADMM O=C(COc1cccnc1-c1nnn[n-]1)C1CCCCC1 ZINC001592899104 1174001085 /nfs/dbraw/zinc/00/10/85/1174001085.db2.gz PAYZWJXBLSPDAU-UHFFFAOYSA-N -1 1 287.323 1.790 20 0 CDADMM O=C(COc1cccnc1-c1nn[n-]n1)C1CCCCC1 ZINC001592899104 1174001097 /nfs/dbraw/zinc/00/10/97/1174001097.db2.gz PAYZWJXBLSPDAU-UHFFFAOYSA-N -1 1 287.323 1.790 20 0 CDADMM O=C(NC1(C2CCC2)CC1)c1ccc(-c2nnn[n-]2)o1 ZINC001592956633 1174007186 /nfs/dbraw/zinc/00/71/86/1174007186.db2.gz IXLDFBHLDPRIPJ-UHFFFAOYSA-N -1 1 273.296 1.522 20 0 CDADMM O=C(NC1(C2CCC2)CC1)c1ccc(-c2nn[n-]n2)o1 ZINC001592956633 1174007190 /nfs/dbraw/zinc/00/71/90/1174007190.db2.gz IXLDFBHLDPRIPJ-UHFFFAOYSA-N -1 1 273.296 1.522 20 0 CDADMM O=C(NC[C@]12C[C@H]1CCC2)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593114474 1174024683 /nfs/dbraw/zinc/02/46/83/1174024683.db2.gz YFCCCLBEHYTHIB-OTYXRUKQSA-N -1 1 299.338 1.573 20 0 CDADMM O=C(NC[C@]12C[C@H]1CCC2)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593114474 1174024691 /nfs/dbraw/zinc/02/46/91/1174024691.db2.gz YFCCCLBEHYTHIB-OTYXRUKQSA-N -1 1 299.338 1.573 20 0 CDADMM O=C([N-]Oc1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001593170098 1174030088 /nfs/dbraw/zinc/03/00/88/1174030088.db2.gz DRHWZPNRGYWZNN-WCQGTBRESA-N -1 1 299.334 1.713 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001593243921 1174037749 /nfs/dbraw/zinc/03/77/49/1174037749.db2.gz RYFNVEYWKJXZKN-IVZWLZJFSA-N -1 1 284.323 1.636 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001593243921 1174037754 /nfs/dbraw/zinc/03/77/54/1174037754.db2.gz RYFNVEYWKJXZKN-IVZWLZJFSA-N -1 1 284.323 1.636 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC001593255778 1174040809 /nfs/dbraw/zinc/04/08/09/1174040809.db2.gz KMXQWTYGJGZXCU-DVVUODLYSA-N -1 1 299.338 1.572 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC001593255778 1174040812 /nfs/dbraw/zinc/04/08/12/1174040812.db2.gz KMXQWTYGJGZXCU-DVVUODLYSA-N -1 1 299.338 1.572 20 0 CDADMM O=C(O[C@H]1CCCCC1=O)c1ccsc1-c1nnn[n-]1 ZINC001593282105 1174048081 /nfs/dbraw/zinc/04/80/81/1174048081.db2.gz WNTUJMYFZJXCIJ-VIFPVBQESA-N -1 1 292.320 1.597 20 0 CDADMM O=C(O[C@H]1CCCCC1=O)c1ccsc1-c1nn[n-]n1 ZINC001593282105 1174048092 /nfs/dbraw/zinc/04/80/92/1174048092.db2.gz WNTUJMYFZJXCIJ-VIFPVBQESA-N -1 1 292.320 1.597 20 0 CDADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CC=CCC1 ZINC001593313688 1174063521 /nfs/dbraw/zinc/06/35/21/1174063521.db2.gz DRWQUMPZHIKBJG-UHFFFAOYSA-N -1 1 294.318 1.750 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC=C(Cl)C1 ZINC001593337268 1174066839 /nfs/dbraw/zinc/06/68/39/1174066839.db2.gz SXLWNASRXYZNOH-UHFFFAOYSA-N -1 1 290.714 1.230 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC=C(Cl)C1 ZINC001593337268 1174066842 /nfs/dbraw/zinc/06/68/42/1174066842.db2.gz SXLWNASRXYZNOH-UHFFFAOYSA-N -1 1 290.714 1.230 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC(c2ccccn2)C1 ZINC001593368210 1174071017 /nfs/dbraw/zinc/07/10/17/1174071017.db2.gz WKQDOMCVKPSXSF-UHFFFAOYSA-N -1 1 296.290 1.094 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC(c2ccccn2)C1 ZINC001593368210 1174071027 /nfs/dbraw/zinc/07/10/27/1174071027.db2.gz WKQDOMCVKPSXSF-UHFFFAOYSA-N -1 1 296.290 1.094 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1cccc(F)c1F ZINC001593496705 1174088520 /nfs/dbraw/zinc/08/85/20/1174088520.db2.gz SJEKVKPKNGPGSQ-UHFFFAOYSA-N -1 1 289.245 1.355 20 0 CDADMM O[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001593502891 1174090739 /nfs/dbraw/zinc/09/07/39/1174090739.db2.gz UNGKUBSUDCSZNY-LBPRGKRZSA-N -1 1 297.322 1.192 20 0 CDADMM O[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001593502891 1174090743 /nfs/dbraw/zinc/09/07/43/1174090743.db2.gz UNGKUBSUDCSZNY-LBPRGKRZSA-N -1 1 297.322 1.192 20 0 CDADMM c1c[nH]c(Sc2cc(-c3nnn[n-]3)nc(C3CC3)n2)n1 ZINC001593545026 1174115474 /nfs/dbraw/zinc/11/54/74/1174115474.db2.gz VCPPCCXKGSRONM-UHFFFAOYSA-N -1 1 286.324 1.408 20 0 CDADMM c1c[nH]c(Sc2cc(-c3nn[n-]n3)nc(C3CC3)n2)n1 ZINC001593545026 1174115478 /nfs/dbraw/zinc/11/54/78/1174115478.db2.gz VCPPCCXKGSRONM-UHFFFAOYSA-N -1 1 286.324 1.408 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CCOC[C@H]2CC2CC2)c1 ZINC001593549708 1174121560 /nfs/dbraw/zinc/12/15/60/1174121560.db2.gz BTFPSAGQHQNORK-LLVKDONJSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CCOC[C@H]2CC2CC2)c1 ZINC001593549708 1174121564 /nfs/dbraw/zinc/12/15/64/1174121564.db2.gz BTFPSAGQHQNORK-LLVKDONJSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(N[C@H]2CCCC23CCCCC3)nc(-c2nn[n-]n2)n1 ZINC001593558164 1174132832 /nfs/dbraw/zinc/13/28/32/1174132832.db2.gz KTARGNDJFZIJLZ-NSHDSACASA-N -1 1 299.382 1.994 20 0 CDADMM c1ccc(CCSc2cccnc2-c2nnn[n-]2)nc1 ZINC001593575501 1174145586 /nfs/dbraw/zinc/14/55/86/1174145586.db2.gz QHCZMFZPAUJWTJ-UHFFFAOYSA-N -1 1 284.348 1.992 20 0 CDADMM c1ccc(CCSc2cccnc2-c2nn[n-]n2)nc1 ZINC001593575501 1174145590 /nfs/dbraw/zinc/14/55/90/1174145590.db2.gz QHCZMFZPAUJWTJ-UHFFFAOYSA-N -1 1 284.348 1.992 20 0 CDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCCCCO1 ZINC001593578111 1174145810 /nfs/dbraw/zinc/14/58/10/1174145810.db2.gz UCZWNPLZWGLXII-UHFFFAOYSA-N -1 1 297.322 1.732 20 0 CDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCCCCO1 ZINC001593578111 1174145812 /nfs/dbraw/zinc/14/58/12/1174145812.db2.gz UCZWNPLZWGLXII-UHFFFAOYSA-N -1 1 297.322 1.732 20 0 CDADMM c1ccc([C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC001593572538 1174145832 /nfs/dbraw/zinc/14/58/32/1174145832.db2.gz BTJKNNAKOPUTCK-JTQLQIEISA-N -1 1 294.322 1.046 20 0 CDADMM c1ccc([C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC001593572538 1174145837 /nfs/dbraw/zinc/14/58/37/1174145837.db2.gz BTJKNNAKOPUTCK-JTQLQIEISA-N -1 1 294.322 1.046 20 0 CDADMM c1ccc(CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001593573598 1174146259 /nfs/dbraw/zinc/14/62/59/1174146259.db2.gz BYDGFKNQEBTTSC-UHFFFAOYSA-N -1 1 253.269 1.269 20 0 CDADMM c1ccc(CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001593573598 1174146267 /nfs/dbraw/zinc/14/62/67/1174146267.db2.gz BYDGFKNQEBTTSC-UHFFFAOYSA-N -1 1 253.269 1.269 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1 ZINC001593583082 1174150083 /nfs/dbraw/zinc/15/00/83/1174150083.db2.gz MUSRBSWNEAXYRU-WJDYBODASA-N -1 1 284.323 1.097 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1 ZINC001593583082 1174150087 /nfs/dbraw/zinc/15/00/87/1174150087.db2.gz MUSRBSWNEAXYRU-WJDYBODASA-N -1 1 284.323 1.097 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@@H]2CCCS2)c1 ZINC001593585492 1174153577 /nfs/dbraw/zinc/15/35/77/1174153577.db2.gz UNEJBQKVMHKRFT-QMMMGPOBSA-N -1 1 262.342 1.569 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@@H]2CCCS2)c1 ZINC001593585492 1174153581 /nfs/dbraw/zinc/15/35/81/1174153581.db2.gz UNEJBQKVMHKRFT-QMMMGPOBSA-N -1 1 262.342 1.569 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NCCC[C@@H]1CCCCO1 ZINC001593594491 1174161547 /nfs/dbraw/zinc/16/15/47/1174161547.db2.gz CSDYSZXGQFVEPK-JTQLQIEISA-N -1 1 289.343 1.418 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NCCC[C@@H]1CCCCO1 ZINC001593594491 1174161551 /nfs/dbraw/zinc/16/15/51/1174161551.db2.gz CSDYSZXGQFVEPK-JTQLQIEISA-N -1 1 289.343 1.418 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NC[C@@H]1C[C@@H]1C1CCCC1 ZINC001593594633 1174163373 /nfs/dbraw/zinc/16/33/73/1174163373.db2.gz DLVYLEUKXPBLHP-WDEREUQCSA-N -1 1 285.355 1.895 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NC[C@@H]1C[C@@H]1C1CCCC1 ZINC001593594633 1174163379 /nfs/dbraw/zinc/16/33/79/1174163379.db2.gz DLVYLEUKXPBLHP-WDEREUQCSA-N -1 1 285.355 1.895 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC001593594988 1174165762 /nfs/dbraw/zinc/16/57/62/1174165762.db2.gz KVTHSQFBLOARMI-KKZNHRDASA-N -1 1 287.327 1.026 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC001593594988 1174165775 /nfs/dbraw/zinc/16/57/75/1174165775.db2.gz KVTHSQFBLOARMI-KKZNHRDASA-N -1 1 287.327 1.026 20 0 CDADMM CCc1cc(=O)n2[n-]c(NC(=O)c3cocc3C)nc2n1 ZINC001595393077 1174201130 /nfs/dbraw/zinc/20/11/30/1174201130.db2.gz YZSWIZNDOPKLMW-UHFFFAOYSA-N -1 1 287.279 1.134 20 0 CDADMM Cc1cn[nH]c1CN(CCC(F)(F)F)CC(=O)[O-] ZINC001600062031 1174349704 /nfs/dbraw/zinc/34/97/04/1174349704.db2.gz KKILGZQSROQTTR-UHFFFAOYSA-N -1 1 265.235 1.557 20 0 CDADMM Cc1cccc2nc(CNCc3cc(C(=O)[O-])n(C)c3)cn21 ZINC001600559782 1174504897 /nfs/dbraw/zinc/50/48/97/1174504897.db2.gz AZOJAXKPBGWKQL-UHFFFAOYSA-N -1 1 298.346 1.969 20 0 CDADMM Cc1oncc1NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001600747306 1174588868 /nfs/dbraw/zinc/58/88/68/1174588868.db2.gz LAXLRJGFSDZTQB-UHFFFAOYSA-N -1 1 297.292 1.185 20 0 CDADMM c1ccc(CCNc2ccnc(-c3nnn[n-]3)c2)nc1 ZINC000103672461 1174684000 /nfs/dbraw/zinc/68/40/00/1174684000.db2.gz OLZGKHLAUHSQRY-UHFFFAOYSA-N -1 1 267.296 1.311 20 0 CDADMM c1ccc(CCNc2ccnc(-c3nn[n-]n3)c2)nc1 ZINC000103672461 1174684004 /nfs/dbraw/zinc/68/40/04/1174684004.db2.gz OLZGKHLAUHSQRY-UHFFFAOYSA-N -1 1 267.296 1.311 20 0 CDADMM Cn1nc(NC(=O)c2[nH]cnc2C(C)(C)C)cc1C(=O)[O-] ZINC001601015184 1174702368 /nfs/dbraw/zinc/70/23/68/1174702368.db2.gz LCDUKWVRHWWNTB-UHFFFAOYSA-N -1 1 291.311 1.391 20 0 CDADMM NCc1cc(C(=O)NCC2(C(=O)[O-])CCCC2)co1 ZINC001601191131 1174784990 /nfs/dbraw/zinc/78/49/90/1174784990.db2.gz USZSVIOUBZJTDI-UHFFFAOYSA-N -1 1 266.297 1.113 20 0 CDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1cccc2c1CCC2 ZINC001601564902 1174899870 /nfs/dbraw/zinc/89/98/70/1174899870.db2.gz IUWSHUFJBRSVDO-AWEZNQCLSA-N -1 1 299.330 1.324 20 0 CDADMM O=C([O-])C1(c2csc([C@@H]3CN4CCC[C@H]4CO3)n2)CC1 ZINC001601729073 1174972117 /nfs/dbraw/zinc/97/21/17/1174972117.db2.gz SJZBVSCGAHSZEC-UWVGGRQHSA-N -1 1 294.376 1.795 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](O)CN1Cc1cncc2ccccc21 ZINC001601772502 1174998424 /nfs/dbraw/zinc/99/84/24/1174998424.db2.gz KOMVAOVGHWONLZ-TZMCWYRMSA-N -1 1 272.304 1.255 20 0 CDADMM O=C([O-])C[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])no1 ZINC001601949671 1175082716 /nfs/dbraw/zinc/08/27/16/1175082716.db2.gz UGXKTQRANZGHND-QMMMGPOBSA-N -1 1 268.269 1.202 20 0 CDADMM O=C([O-])CCCc1csc(NC(=O)Cc2cnc[nH]2)n1 ZINC001601999765 1175107223 /nfs/dbraw/zinc/10/72/23/1175107223.db2.gz GJKRYHMYAIZEAW-UHFFFAOYSA-N -1 1 294.336 1.455 20 0 CDADMM O=C([O-])[C@@H]1CN(CN2CC[C@@H]3CCCC[C@H]3C2)C(=O)O1 ZINC001602187764 1175156475 /nfs/dbraw/zinc/15/64/75/1175156475.db2.gz HMESJOMVKKTJRU-SRVKXCTJSA-N -1 1 282.340 1.361 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(Cc3nc4c(s3)CCC4)C[C@@H]21 ZINC001602207213 1175166052 /nfs/dbraw/zinc/16/60/52/1175166052.db2.gz URZUTLWIWFPZML-JDICNCQASA-N -1 1 264.350 1.394 20 0 CDADMM O=C([O-])c1cc(CNC[C@@H](O)C2CCCCC2)on1 ZINC001602259375 1175187540 /nfs/dbraw/zinc/18/75/40/1175187540.db2.gz UBOQVZJAOLAHKO-GFCCVEGCSA-N -1 1 268.313 1.404 20 0 CDADMM O=C([O-])c1cnc(CNC2([C@@H]3CCCO3)CCC2)cn1 ZINC001602521206 1175269344 /nfs/dbraw/zinc/26/93/44/1175269344.db2.gz 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/nfs/dbraw/zinc/54/13/53/1175541353.db2.gz LCZVUSFLFISYOQ-NSHDSACASA-N -1 1 272.389 1.628 20 0 CDADMM CC(C)O[C@H]1CCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001603346986 1175544018 /nfs/dbraw/zinc/54/40/18/1175544018.db2.gz IJPMBWCJILKVCV-NSHDSACASA-N -1 1 288.355 1.656 20 0 CDADMM CC(C)O[C@H]1CCCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001603346986 1175544021 /nfs/dbraw/zinc/54/40/21/1175544021.db2.gz IJPMBWCJILKVCV-NSHDSACASA-N -1 1 288.355 1.656 20 0 CDADMM CC(C)SCCNc1cccc(-c2nnn[n-]2)n1 ZINC001603377248 1175549945 /nfs/dbraw/zinc/54/99/45/1175549945.db2.gz QAMLWQCCNNPSQH-UHFFFAOYSA-N -1 1 264.358 1.815 20 0 CDADMM CC(C)SCCNc1cccc(-c2nn[n-]n2)n1 ZINC001603377248 1175549948 /nfs/dbraw/zinc/54/99/48/1175549948.db2.gz QAMLWQCCNNPSQH-UHFFFAOYSA-N -1 1 264.358 1.815 20 0 CDADMM CC(C)c1c[nH]c(Sc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001603391491 1175552243 /nfs/dbraw/zinc/55/22/43/1175552243.db2.gz QPJHRAUGSRPOHX-UHFFFAOYSA-N -1 1 288.340 1.654 20 0 CDADMM CC(C)(C)c1csc(CN[C@H]2CCO[C@H]2C(=O)[O-])n1 ZINC001603551157 1175563438 /nfs/dbraw/zinc/56/34/38/1175563438.db2.gz UETKJEJLVCNQSV-GZMMTYOYSA-N -1 1 284.381 1.772 20 0 CDADMM CC(C)(N)c1noc(CN2CCC[C@@H](CCC(=O)[O-])C2)n1 ZINC001603669357 1175591670 /nfs/dbraw/zinc/59/16/70/1175591670.db2.gz XIGFYXDETVHLRB-JTQLQIEISA-N -1 1 296.371 1.340 20 0 CDADMM CC(C)(O)CN1CCN([C@@H](C(=O)[O-])c2ccsc2)CC1 ZINC001603690643 1175598983 /nfs/dbraw/zinc/59/89/83/1175598983.db2.gz AFSYJRBMTCSAAY-GFCCVEGCSA-N -1 1 298.408 1.262 20 0 CDADMM C[C@@H](O)C[C@H](C)CNc1cccnc1-c1nnn[n-]1 ZINC001603696122 1175602129 /nfs/dbraw/zinc/60/21/29/1175602129.db2.gz QLXGQQDJYIPYPX-DTWKUNHWSA-N -1 1 262.317 1.081 20 0 CDADMM C[C@@H](O)C[C@H](C)CNc1cccnc1-c1nn[n-]n1 ZINC001603696122 1175602132 /nfs/dbraw/zinc/60/21/32/1175602132.db2.gz QLXGQQDJYIPYPX-DTWKUNHWSA-N -1 1 262.317 1.081 20 0 CDADMM CC1(C)CC[C@H](CO)N(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001603772845 1175626697 /nfs/dbraw/zinc/62/66/97/1175626697.db2.gz UALHETPPKUXYLC-LLVKDONJSA-N -1 1 288.355 1.249 20 0 CDADMM CC1(C)CC[C@H](CO)N(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001603772845 1175626699 /nfs/dbraw/zinc/62/66/99/1175626699.db2.gz UALHETPPKUXYLC-LLVKDONJSA-N -1 1 288.355 1.249 20 0 CDADMM CC1(C)CCC[C@H](C(=O)Nc2c[nH]nc2-c2nn[n-]n2)C1 ZINC001603773423 1175627104 /nfs/dbraw/zinc/62/71/04/1175627104.db2.gz DFSFGYPYNJKPEA-QMMMGPOBSA-N -1 1 289.343 1.745 20 0 CDADMM CC1(F)CN(C(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001603809450 1175639996 /nfs/dbraw/zinc/63/99/96/1175639996.db2.gz IAAHBMJALCSOTK-UHFFFAOYSA-N -1 1 267.289 1.112 20 0 CDADMM CC(C)CN(CCC(=O)[O-])C(=O)[C@H]1CCN1C(C)(C)C ZINC001603809594 1175640118 /nfs/dbraw/zinc/64/01/18/1175640118.db2.gz ZADMTBXNFJETPY-GFCCVEGCSA-N -1 1 284.400 1.819 20 0 CDADMM CC1(NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)CCCC1 ZINC001603813271 1175641609 /nfs/dbraw/zinc/64/16/09/1175641609.db2.gz DQFNBNXUBUQSQL-UHFFFAOYSA-N -1 1 287.327 1.716 20 0 CDADMM CC1(NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)CCCC1 ZINC001603813271 1175641612 /nfs/dbraw/zinc/64/16/12/1175641612.db2.gz DQFNBNXUBUQSQL-UHFFFAOYSA-N 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/nfs/dbraw/zinc/65/56/20/1175655620.db2.gz QKEDRLKSIKHGFH-YUMQZZPRSA-N -1 1 293.352 1.474 20 0 CDADMM CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)C[C@H]1CCC2(CCC2)O1 ZINC001603917834 1175684572 /nfs/dbraw/zinc/68/45/72/1175684572.db2.gz RCBSBLIKXSVLIQ-CHWSQXEVSA-N -1 1 285.384 1.898 20 0 CDADMM CC(C)OC[C@H](C(=O)[O-])N(C)C[C@H]1CCC2(CCC2)O1 ZINC001603917834 1175684574 /nfs/dbraw/zinc/68/45/74/1175684574.db2.gz RCBSBLIKXSVLIQ-CHWSQXEVSA-N -1 1 285.384 1.898 20 0 CDADMM C[C@H]1CN(c2cccnc2-c2nnn[n-]2)CC(C)(C)O1 ZINC001603940616 1175692130 /nfs/dbraw/zinc/69/21/30/1175692130.db2.gz IVLWMQYBGYBYSR-VIFPVBQESA-N -1 1 274.328 1.265 20 0 CDADMM C[C@H]1CN(c2cccnc2-c2nn[n-]n2)CC(C)(C)O1 ZINC001603940616 1175692132 /nfs/dbraw/zinc/69/21/32/1175692132.db2.gz IVLWMQYBGYBYSR-VIFPVBQESA-N -1 1 274.328 1.265 20 0 CDADMM CC[C@H](C)CC(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001604001231 1175712799 /nfs/dbraw/zinc/71/27/99/1175712799.db2.gz RVBBXYHVYMZPKV-LURJTMIESA-N -1 1 263.305 1.273 20 0 CDADMM CC(C)c1n[nH]c(NC(=O)C=Cc2cc(C(=O)[O-])co2)n1 ZINC001604026133 1175723846 /nfs/dbraw/zinc/72/38/46/1175723846.db2.gz CQHWMFRUCHBHQF-ARJAWSKDSA-N -1 1 290.279 1.871 20 0 CDADMM CC(C)c1nc(NC(=O)C=Cc2cc(C(=O)[O-])co2)n[nH]1 ZINC001604026133 1175723850 /nfs/dbraw/zinc/72/38/50/1175723850.db2.gz CQHWMFRUCHBHQF-ARJAWSKDSA-N -1 1 290.279 1.871 20 0 CDADMM CC[C@H]1C[C@H](CNc2n[nH]cc2-c2nnn[n-]2)CCO1 ZINC001604098844 1175760814 /nfs/dbraw/zinc/76/08/14/1175760814.db2.gz HJKZAUBSMCFLGA-BDAKNGLRSA-N -1 1 277.332 1.207 20 0 CDADMM CC[C@H]1C[C@H](CNc2n[nH]cc2-c2nn[n-]n2)CCO1 ZINC001604098844 1175760824 /nfs/dbraw/zinc/76/08/24/1175760824.db2.gz HJKZAUBSMCFLGA-BDAKNGLRSA-N -1 1 277.332 1.207 20 0 CDADMM Cc1nc2n(n1)C[C@H](NC(=O)c1ccc([O-])cc1F)CC2 ZINC000163058599 1180368963 /nfs/dbraw/zinc/36/89/63/1180368963.db2.gz GLHAQTWHYWRPHL-SECBINFHSA-N -1 1 290.298 1.176 20 0 CDADMM CC[C@H]1CN(C(=O)c2ccc([O-])cc2F)C[C@H]1O ZINC000400468246 1186369499 /nfs/dbraw/zinc/36/94/99/1186369499.db2.gz 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/nfs/dbraw/zinc/39/57/78/1174395778.db2.gz BYKITJSWGZDDPQ-UHFFFAOYSA-N -1 1 288.303 1.675 20 0 CDADMM Cc1cc(CN2CCC[C@@](C)(CO)C2)[nH]c1C(=O)[O-] ZINC001600193413 1174398490 /nfs/dbraw/zinc/39/84/90/1174398490.db2.gz PZVOKOBCCKIFMX-CQSZACIVSA-N -1 1 266.341 1.616 20 0 CDADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccn(C)c1 ZINC000357647379 526214538 /nfs/dbraw/zinc/21/45/38/526214538.db2.gz CESXEQPIBRXCPF-UHFFFAOYSA-N -1 1 292.364 1.481 20 0 CDADMM O=C([O-])c1cnc(N2CCN(CC3CC3)CC2)s1 ZINC000054910096 526403490 /nfs/dbraw/zinc/40/34/90/526403490.db2.gz MVOFALFRHAHYKC-UHFFFAOYSA-N -1 1 267.354 1.373 20 0 CDADMM O=C(Nc1ccc(F)cc1[O-])c1ccc2nncn2c1 ZINC000340328275 527213432 /nfs/dbraw/zinc/21/34/32/527213432.db2.gz FYCGKAXYMIQUDK-UHFFFAOYSA-N -1 1 272.239 1.826 20 0 CDADMM O=S(=O)([N-]C[C@]1(O)CCSC1)c1sccc1F ZINC000335068277 527230076 /nfs/dbraw/zinc/23/00/76/527230076.db2.gz JULLCVIVGGBBIY-SECBINFHSA-N -1 1 297.398 1.034 20 0 CDADMM O=C([O-])[C@@H]([NH2+]Cc1cc(=O)oc2cc([O-])ccc12)C1CC1 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Fc1cccc(Cl)c1Cn1cnc(-c2nn[n-]n2)n1 ZINC000095218477 1174512998 /nfs/dbraw/zinc/51/29/98/1174512998.db2.gz NBVYZOHFVLSSBZ-UHFFFAOYSA-N -1 1 279.666 1.299 20 0 CDADMM Cc1ccnc(-c2noc(CN(C)C[C@@H](C)C(=O)[O-])n2)c1 ZINC001600597828 1174520182 /nfs/dbraw/zinc/52/01/82/1174520182.db2.gz SILVOLIFPWEZDS-SNVBAGLBSA-N -1 1 290.323 1.593 20 0 CDADMM Cc1nc([C@H](C)OC(=O)c2c[nH]c(C(=O)[O-])c2)n[nH]1 ZINC001600667028 1174554553 /nfs/dbraw/zinc/55/45/53/1174554553.db2.gz OJBAQOBGQQQGHO-YFKPBYRVSA-N -1 1 264.241 1.057 20 0 CDADMM Cc1oc(CN2CCC[C@H](n3cncn3)C2)cc1C(=O)[O-] ZINC000738980426 574421019 /nfs/dbraw/zinc/42/10/19/574421019.db2.gz UZHUHQQVNHSASD-NSHDSACASA-N -1 1 290.323 1.715 20 0 CDADMM NCc1nccnc1NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001601192437 1174785130 /nfs/dbraw/zinc/78/51/30/1174785130.db2.gz XFSVBGUAHQOZRB-LLVKDONJSA-N -1 1 272.308 1.216 20 0 CDADMM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(C)(C)O ZINC000394022716 574447097 /nfs/dbraw/zinc/44/70/97/574447097.db2.gz QCKFFVVCUNLVSH-LURJTMIESA-N 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AGNQVRDTUMFPBH-VIFPVBQESA-N -1 1 293.352 1.037 20 0 CDADMM CC[C@H](C)[C@@H](O)CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000762438757 576645299 /nfs/dbraw/zinc/64/52/99/576645299.db2.gz CGWJCCWWFKNQLX-ONGXEEELSA-N -1 1 295.383 1.751 20 0 CDADMM COC(=O)[C@@H](C)CNC(=O)c1c([O-])cccc1Cl ZINC000769748743 575380080 /nfs/dbraw/zinc/38/00/80/575380080.db2.gz IBYPDQIAMQAIAM-ZETCQYMHSA-N -1 1 271.700 1.585 20 0 CDADMM NC(=O)C1(NC(=O)c2c([O-])cccc2Cl)CCCC1 ZINC000769857620 575392082 /nfs/dbraw/zinc/39/20/82/575392082.db2.gz CLOVCBJLMAFELZ-UHFFFAOYSA-N -1 1 282.727 1.574 20 0 CDADMM CC(C)OCCCN(C)c1cccc(-c2nnn[n-]2)n1 ZINC000735896804 575532152 /nfs/dbraw/zinc/53/21/52/575532152.db2.gz VWCBKGUDAXNRMS-UHFFFAOYSA-N -1 1 276.344 1.513 20 0 CDADMM CC(C)OCCCN(C)c1cccc(-c2nn[n-]n2)n1 ZINC000735896804 575532155 /nfs/dbraw/zinc/53/21/55/575532155.db2.gz VWCBKGUDAXNRMS-UHFFFAOYSA-N -1 1 276.344 1.513 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccn1 ZINC000736117764 575573166 /nfs/dbraw/zinc/57/31/66/575573166.db2.gz GNBVKMKRNSPHQQ-VIFPVBQESA-N -1 1 295.306 1.148 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccn1 ZINC000736117764 575573168 /nfs/dbraw/zinc/57/31/68/575573168.db2.gz GNBVKMKRNSPHQQ-VIFPVBQESA-N -1 1 295.306 1.148 20 0 CDADMM CC1(C)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736210792 575590941 /nfs/dbraw/zinc/59/09/41/575590941.db2.gz IPAPACSLHOQFET-VIFPVBQESA-N -1 1 272.312 1.038 20 0 CDADMM CC1(C)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736210792 575590944 /nfs/dbraw/zinc/59/09/44/575590944.db2.gz IPAPACSLHOQFET-VIFPVBQESA-N -1 1 272.312 1.038 20 0 CDADMM C[C@@H]1C[C@@H]1c1ccc(CNc2nccnc2-c2nnn[n-]2)o1 ZINC000736241289 575597709 /nfs/dbraw/zinc/59/77/09/575597709.db2.gz WTZRGYMAGOKFOX-SCZZXKLOSA-N -1 1 297.322 1.985 20 0 CDADMM C[C@@H]1C[C@@H]1c1ccc(CNc2nccnc2-c2nn[n-]n2)o1 ZINC000736241289 575597712 /nfs/dbraw/zinc/59/77/12/575597712.db2.gz WTZRGYMAGOKFOX-SCZZXKLOSA-N -1 1 297.322 1.985 20 0 CDADMM C[C@H]1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC000736273968 575610020 /nfs/dbraw/zinc/61/00/20/575610020.db2.gz TXCKNURWRJKSEN-VHSXEESVSA-N -1 1 273.344 1.895 20 0 CDADMM C[C@H]1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC000736273968 575610021 /nfs/dbraw/zinc/61/00/21/575610021.db2.gz TXCKNURWRJKSEN-VHSXEESVSA-N -1 1 273.344 1.895 20 0 CDADMM C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736276085 575610462 /nfs/dbraw/zinc/61/04/62/575610462.db2.gz YKZPHTGEVBNIKF-ONGXEEELSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736276085 575610464 /nfs/dbraw/zinc/61/04/64/575610464.db2.gz YKZPHTGEVBNIKF-ONGXEEELSA-N -1 1 286.339 1.570 20 0 CDADMM CC[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736398807 575648453 /nfs/dbraw/zinc/64/84/53/575648453.db2.gz DLMSSQGQQYJCAM-NSHDSACASA-N -1 1 286.339 1.666 20 0 CDADMM CC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736398807 575648455 /nfs/dbraw/zinc/64/84/55/575648455.db2.gz DLMSSQGQQYJCAM-NSHDSACASA-N -1 1 286.339 1.666 20 0 CDADMM CCN(CC)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000736531012 575682087 /nfs/dbraw/zinc/68/20/87/575682087.db2.gz BLLVIUXAPOAXQN-UHFFFAOYSA-N -1 1 299.331 1.036 20 0 CDADMM CCN(CC)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000736531012 575682088 /nfs/dbraw/zinc/68/20/88/575682088.db2.gz BLLVIUXAPOAXQN-UHFFFAOYSA-N -1 1 299.331 1.036 20 0 CDADMM COc1cccc(OC)c1CC(=O)[N-]OC1CCOCC1 ZINC000772707676 575739568 /nfs/dbraw/zinc/73/95/68/575739568.db2.gz LVEZKQGJNHZFNO-UHFFFAOYSA-N -1 1 295.335 1.473 20 0 CDADMM COC1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000736966662 575778461 /nfs/dbraw/zinc/77/84/61/575778461.db2.gz WJGTUQYLVXMLPX-UHFFFAOYSA-N -1 1 294.746 1.530 20 0 CDADMM COC1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000736966662 575778463 /nfs/dbraw/zinc/77/84/63/575778463.db2.gz WJGTUQYLVXMLPX-UHFFFAOYSA-N -1 1 294.746 1.530 20 0 CDADMM CCCN(C)CC(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000737007375 575792030 /nfs/dbraw/zinc/79/20/30/575792030.db2.gz GFVJHBFOHNOODY-UHFFFAOYSA-N -1 1 276.336 1.616 20 0 CDADMM O=C(OCCCN1CCOC1=O)c1ccc([O-])cc1F ZINC000773572685 575827396 /nfs/dbraw/zinc/82/73/96/575827396.db2.gz KVUWXZAHSJHOOS-UHFFFAOYSA-N -1 1 283.255 1.530 20 0 CDADMM CN(Cc1nnc[nH]1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737500242 575977999 /nfs/dbraw/zinc/97/79/99/575977999.db2.gz IOVLGSQWVASMIH-UHFFFAOYSA-N -1 1 275.268 1.167 20 0 CDADMM CN1CCC[C@@H]1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000737520934 575982522 /nfs/dbraw/zinc/98/25/22/575982522.db2.gz LREUFULDDJPHGU-RVMXOQNASA-N -1 1 280.368 1.325 20 0 CDADMM C/C(=C/C(=O)N1CCC[C@@H](c2nn[n-]n2)C1)C(C)(C)C ZINC000765108056 575987251 /nfs/dbraw/zinc/98/72/51/575987251.db2.gz DACHBSVLWSFPRU-HIJJYWJESA-N -1 1 277.372 1.898 20 0 CDADMM Clc1ccc(NCCOCC2CC2)nc1-c1nnn[n-]1 ZINC000737573463 575993735 /nfs/dbraw/zinc/99/37/35/575993735.db2.gz IFARRHVCKZZPNU-UHFFFAOYSA-N -1 1 294.746 1.754 20 0 CDADMM Clc1ccc(NCCOCC2CC2)nc1-c1nn[n-]n1 ZINC000737573463 575993738 /nfs/dbraw/zinc/99/37/38/575993738.db2.gz IFARRHVCKZZPNU-UHFFFAOYSA-N -1 1 294.746 1.754 20 0 CDADMM Clc1ccc(NCc2cc[nH]n2)nc1-c1nnn[n-]1 ZINC000737576207 575995441 /nfs/dbraw/zinc/99/54/41/575995441.db2.gz YNCJCNTUCVJTAG-UHFFFAOYSA-N -1 1 276.691 1.250 20 0 CDADMM Clc1ccc(NCc2cc[nH]n2)nc1-c1nn[n-]n1 ZINC000737576207 575995442 /nfs/dbraw/zinc/99/54/42/575995442.db2.gz YNCJCNTUCVJTAG-UHFFFAOYSA-N -1 1 276.691 1.250 20 0 CDADMM CC(C)OC(=O)[C@@H]1CCCN1CCCCC(=O)[O-] ZINC000737641437 576007326 /nfs/dbraw/zinc/00/73/26/576007326.db2.gz PZUQCBBARTWMTD-NSHDSACASA-N -1 1 257.330 1.657 20 0 CDADMM O=C(CC1CCCCC1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000737813839 576013532 /nfs/dbraw/zinc/01/35/32/576013532.db2.gz LCFJLOOIWZBBBA-LLVKDONJSA-N -1 1 279.344 1.070 20 0 CDADMM Cn1[n-]c(COC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)nc1=O ZINC000765409944 576017871 /nfs/dbraw/zinc/01/78/71/576017871.db2.gz QEPMGOSNBXMRND-GHMZBOCLSA-N -1 1 291.282 1.094 20 0 CDADMM CC[C@@H](C)c1ccc(C(=O)OCc2nc(=O)n(C)[n-]2)cc1 ZINC000765496448 576030618 /nfs/dbraw/zinc/03/06/18/576030618.db2.gz NRDQISVYLVMSBB-SNVBAGLBSA-N -1 1 289.335 1.979 20 0 CDADMM CCC(CC)n1ccc(C(=O)OCc2nc(=O)n(C)[n-]2)n1 ZINC000765495532 576030723 /nfs/dbraw/zinc/03/07/23/576030723.db2.gz SUCJMGMSYNHRIE-UHFFFAOYSA-N -1 1 293.327 1.023 20 0 CDADMM CN1CCC[C@H]1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000738014415 576030974 /nfs/dbraw/zinc/03/09/74/576030974.db2.gz CETRURPEIFYXET-LBPRGKRZSA-N -1 1 262.309 1.346 20 0 CDADMM Cn1[n-]c(COC(=O)[C@H](c2ccccc2)C2CC2)nc1=O ZINC000765498606 576031463 /nfs/dbraw/zinc/03/14/63/576031463.db2.gz VJCQJABJCSAZNH-CYBMUJFWSA-N -1 1 287.319 1.345 20 0 CDADMM O=C(NCc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738117040 576039669 /nfs/dbraw/zinc/03/96/69/576039669.db2.gz PBTQKFIRCWADJK-UHFFFAOYSA-N -1 1 280.291 1.192 20 0 CDADMM O=C(NCc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738117040 576039672 /nfs/dbraw/zinc/03/96/72/576039672.db2.gz PBTQKFIRCWADJK-UHFFFAOYSA-N -1 1 280.291 1.192 20 0 CDADMM O=C(OC/C=C\Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738222368 576050027 /nfs/dbraw/zinc/05/00/27/576050027.db2.gz QMKJHLKTFZFICK-RJRFIUFISA-N -1 1 265.660 1.171 20 0 CDADMM O=C(OC/C=C\Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738222368 576050029 /nfs/dbraw/zinc/05/00/29/576050029.db2.gz QMKJHLKTFZFICK-RJRFIUFISA-N -1 1 265.660 1.171 20 0 CDADMM c1nc(CNc2c3ccccc3nnc2-c2nnn[n-]2)co1 ZINC000738435882 576074002 /nfs/dbraw/zinc/07/40/02/576074002.db2.gz DDNFLYYIVJGOKA-UHFFFAOYSA-N -1 1 294.278 1.410 20 0 CDADMM c1nc(CNc2c3ccccc3nnc2-c2nn[n-]n2)co1 ZINC000738435882 576074004 /nfs/dbraw/zinc/07/40/04/576074004.db2.gz DDNFLYYIVJGOKA-UHFFFAOYSA-N -1 1 294.278 1.410 20 0 CDADMM O=C([O-])c1ccc(NC(=O)CN2CC[C@@H](CCO)C2)cc1 ZINC000738458894 576077897 /nfs/dbraw/zinc/07/78/97/576077897.db2.gz DVERQJAKDWIXPJ-NSHDSACASA-N -1 1 292.335 1.028 20 0 CDADMM CCc1cc(C(=O)N(CCC(=O)[O-])CC2CC2)n[nH]1 ZINC000766914826 576145738 /nfs/dbraw/zinc/14/57/38/576145738.db2.gz YMGCEZVXVUFKJT-UHFFFAOYSA-N -1 1 265.313 1.299 20 0 CDADMM CCCn1cc(C(=O)[N-]c2nc(C3CC3)no2)nn1 ZINC000767150182 576163306 /nfs/dbraw/zinc/16/33/06/576163306.db2.gz NFDMOFUDFJNIFW-UHFFFAOYSA-N -1 1 262.273 1.201 20 0 CDADMM CN(CCCC(=O)[O-])Cc1nc(-c2cccnc2)no1 ZINC000739669161 576275069 /nfs/dbraw/zinc/27/50/69/576275069.db2.gz XRYHIRJANZCKLR-UHFFFAOYSA-N -1 1 276.296 1.428 20 0 CDADMM NC(=O)c1cc(CNC(=O)c2c([O-])cccc2Cl)on1 ZINC000769197465 576337242 /nfs/dbraw/zinc/33/72/42/576337242.db2.gz MWFUMDUBNWAZCU-UHFFFAOYSA-N -1 1 295.682 1.063 20 0 CDADMM O=C([O-])c1occc1CN1CCC[C@@H](n2cncn2)C1 ZINC000740280987 576456546 /nfs/dbraw/zinc/45/65/46/576456546.db2.gz GHNGUTHTHRXSMT-LLVKDONJSA-N -1 1 276.296 1.406 20 0 CDADMM O=C([N-]C[C@@H](O)c1ccco1)C(F)(F)C(F)F ZINC000762319308 576639406 /nfs/dbraw/zinc/63/94/06/576639406.db2.gz LDYAPDYXDDDXNT-RXMQYKEDSA-N -1 1 255.167 1.330 20 0 CDADMM CO[C@H]1CCCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC000747379760 576867470 /nfs/dbraw/zinc/86/74/70/576867470.db2.gz IKNLLPIZGKICFN-NSHDSACASA-N -1 1 293.367 1.865 20 0 CDADMM CC1(C)OCC([N-]C(=O)C(F)(F)C(F)F)CO1 ZINC000754734720 576913060 /nfs/dbraw/zinc/91/30/60/576913060.db2.gz PKSLLMPXYQDWSC-UHFFFAOYSA-N -1 1 259.199 1.155 20 0 CDADMM CC[C@H](C)c1ccc(C(=O)NN2CC(=O)[N-]C2=O)cc1 ZINC000755673631 576954765 /nfs/dbraw/zinc/95/47/65/576954765.db2.gz ZDPXLJKFRWOBMW-VIFPVBQESA-N -1 1 275.308 1.397 20 0 CDADMM O=C([N-]Cc1cocn1)C(F)(F)c1nccs1 ZINC000756474053 576991408 /nfs/dbraw/zinc/99/14/08/576991408.db2.gz NUXFTWIFLIZYMK-UHFFFAOYSA-N -1 1 259.237 1.539 20 0 CDADMM CC1(C)OCC(NC(=O)c2cc(F)ccc2[O-])CO1 ZINC000756704500 577000511 /nfs/dbraw/zinc/00/05/11/577000511.db2.gz GBGNTJKPURKHMP-UHFFFAOYSA-N -1 1 269.272 1.413 20 0 CDADMM CCC[C@H](NC(=O)c1nc(Cl)ccc1F)c1nn[n-]n1 ZINC000759299352 577167002 /nfs/dbraw/zinc/16/70/02/577167002.db2.gz LXXHDYDDOFOATF-ZETCQYMHSA-N -1 1 298.709 1.658 20 0 CDADMM O=C([O-])CC1CC(NCc2nccc(C(F)F)n2)C1 ZINC001601946374 1175079448 /nfs/dbraw/zinc/07/94/48/1175079448.db2.gz HWSLBYWCMHUDCQ-UHFFFAOYSA-N -1 1 271.267 1.757 20 0 CDADMM O=C([O-])CCC1CCN(CN2C[C@H](C3CC3)CC2=O)CC1 ZINC001601978007 1175094660 /nfs/dbraw/zinc/09/46/60/1175094660.db2.gz HTFWSUNQJCTCGK-CQSZACIVSA-N -1 1 294.395 1.779 20 0 CDADMM CC(C)n1ccnc1CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000710326076 601927413 /nfs/dbraw/zinc/92/74/13/601927413.db2.gz NJJZSDKRQLIFJN-CYBMUJFWSA-N -1 1 251.330 1.761 20 0 CDADMM CC(C)[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCS1 ZINC000820045610 599097310 /nfs/dbraw/zinc/09/73/10/599097310.db2.gz OHWCZZQMBNXNBF-NSHDSACASA-N -1 1 290.396 1.840 20 0 CDADMM CC(C)[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCS1 ZINC000820045610 599097313 /nfs/dbraw/zinc/09/73/13/599097313.db2.gz OHWCZZQMBNXNBF-NSHDSACASA-N -1 1 290.396 1.840 20 0 CDADMM CCc1cc(CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)[nH]n1 ZINC000818329443 597061872 /nfs/dbraw/zinc/06/18/72/597061872.db2.gz NDBGYWUYQBUFLS-JTQLQIEISA-N -1 1 294.355 1.368 20 0 CDADMM C[C@H](C(=O)NCC(F)(F)F)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000817737853 597104694 /nfs/dbraw/zinc/10/46/94/597104694.db2.gz KPCOFXZAFOCSRR-BDAKNGLRSA-N -1 1 296.289 1.240 20 0 CDADMM NC(=O)Cc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000822874017 607309309 /nfs/dbraw/zinc/30/93/09/607309309.db2.gz QBPGJSSITLFXKH-UHFFFAOYSA-N -1 1 298.306 1.100 20 0 CDADMM NC(=O)Cc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000822874017 607309310 /nfs/dbraw/zinc/30/93/10/607309310.db2.gz QBPGJSSITLFXKH-UHFFFAOYSA-N -1 1 298.306 1.100 20 0 CDADMM C[C@H](NCC(=O)NCC(=O)[O-])c1ccc(F)c(Cl)c1 ZINC000820142427 597808802 /nfs/dbraw/zinc/80/88/02/597808802.db2.gz UQYIHBSRVKPCSA-ZETCQYMHSA-N -1 1 288.706 1.331 20 0 CDADMM O=C([O-])CCCCN1CCN(c2ccc(F)cn2)CC1 ZINC000821515851 597811088 /nfs/dbraw/zinc/81/10/88/597811088.db2.gz FPUAIUKRARFNIJ-UHFFFAOYSA-N -1 1 281.331 1.598 20 0 CDADMM C[C@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824938173 608388115 /nfs/dbraw/zinc/38/81/15/608388115.db2.gz UFMUZDXCAUKRHG-DTWKUNHWSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824938173 608388116 /nfs/dbraw/zinc/38/81/16/608388116.db2.gz UFMUZDXCAUKRHG-DTWKUNHWSA-N -1 1 259.317 1.647 20 0 CDADMM O=C([O-])[C@H]1CCN(Cc2nc3c(s2)CCC3)C1 ZINC000821511223 598182478 /nfs/dbraw/zinc/18/24/78/598182478.db2.gz QSZOPGMOKMDHOC-QMMMGPOBSA-N -1 1 252.339 1.538 20 0 CDADMM COc1ccc(CN2CCC(C(=O)[O-])CC2)nc1 ZINC000820832270 598186163 /nfs/dbraw/zinc/18/61/63/598186163.db2.gz IYLPSZMXWSVMMI-UHFFFAOYSA-N -1 1 250.298 1.387 20 0 CDADMM CC(C)[C@@H](NCC(=O)N[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000222741470 598189011 /nfs/dbraw/zinc/18/90/11/598189011.db2.gz GKGSOXUPPJLRFQ-DMDPSCGWSA-N -1 1 270.373 1.380 20 0 CDADMM CN(Cc1ccccc1)c1nccnc1-c1nnn[n-]1 ZINC000095294776 598336614 /nfs/dbraw/zinc/33/66/14/598336614.db2.gz OEGZOWWHDFRNMC-UHFFFAOYSA-N -1 1 267.296 1.293 20 0 CDADMM CN(Cc1ccccc1)c1nccnc1-c1nn[n-]n1 ZINC000095294776 598336616 /nfs/dbraw/zinc/33/66/16/598336616.db2.gz OEGZOWWHDFRNMC-UHFFFAOYSA-N -1 1 267.296 1.293 20 0 CDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)c1cccs1 ZINC000095230574 598337257 /nfs/dbraw/zinc/33/72/57/598337257.db2.gz GOQAWMYODBSRQE-ZETCQYMHSA-N -1 1 273.325 1.891 20 0 CDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)c1cccs1 ZINC000095230574 598337259 /nfs/dbraw/zinc/33/72/59/598337259.db2.gz GOQAWMYODBSRQE-ZETCQYMHSA-N -1 1 273.325 1.891 20 0 CDADMM Fc1cccc(CCNc2nccnc2-c2nnn[n-]2)c1 ZINC000095144347 598338907 /nfs/dbraw/zinc/33/89/07/598338907.db2.gz MDRUVEMLZRSVCZ-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM Fc1cccc(CCNc2nccnc2-c2nn[n-]n2)c1 ZINC000095144347 598338909 /nfs/dbraw/zinc/33/89/09/598338909.db2.gz MDRUVEMLZRSVCZ-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM Fc1cc(F)cc(Oc2nccnc2-c2nn[n-]n2)c1 ZINC000095183981 598350774 /nfs/dbraw/zinc/35/07/74/598350774.db2.gz KUGRNOIKQLCSRO-UHFFFAOYSA-N -1 1 276.206 1.727 20 0 CDADMM COCC[C@H](C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000095153488 598578648 /nfs/dbraw/zinc/57/86/48/598578648.db2.gz KOONDBLZXVARFV-ZETCQYMHSA-N -1 1 282.735 1.752 20 0 CDADMM COCC[C@H](C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000095153488 598578650 /nfs/dbraw/zinc/57/86/50/598578650.db2.gz KOONDBLZXVARFV-ZETCQYMHSA-N -1 1 282.735 1.752 20 0 CDADMM O=C([O-])c1cnc(CN2CCC([C@H]3CCOC3)CC2)cn1 ZINC001602518498 1175265389 /nfs/dbraw/zinc/26/53/89/1175265389.db2.gz HASYYDOBIKKWIP-LBPRGKRZSA-N -1 1 291.351 1.423 20 0 CDADMM C[C@@H](Cc1ccco1)Nc1cccc(-c2nnn[n-]2)n1 ZINC000095229502 599406035 /nfs/dbraw/zinc/40/60/35/599406035.db2.gz RJWRRKNAGBDRSO-VIFPVBQESA-N -1 1 270.296 1.898 20 0 CDADMM C[C@@H](Cc1ccco1)Nc1cccc(-c2nn[n-]n2)n1 ZINC000095229502 599406036 /nfs/dbraw/zinc/40/60/36/599406036.db2.gz RJWRRKNAGBDRSO-VIFPVBQESA-N -1 1 270.296 1.898 20 0 CDADMM CCc1nc(CNc2ccc(-c3nnn[n-]3)nn2)cs1 ZINC000825745105 608416931 /nfs/dbraw/zinc/41/69/31/608416931.db2.gz IAPPPBLQHGRSKZ-UHFFFAOYSA-N -1 1 288.340 1.288 20 0 CDADMM CCc1nc(CNc2ccc(-c3nn[n-]n3)nn2)cs1 ZINC000825745105 608416932 /nfs/dbraw/zinc/41/69/32/608416932.db2.gz IAPPPBLQHGRSKZ-UHFFFAOYSA-N -1 1 288.340 1.288 20 0 CDADMM O=C([O-])c1cnc(NCCN2CCC2)cc1C(F)(F)F ZINC001602532249 1175274858 /nfs/dbraw/zinc/27/48/58/1175274858.db2.gz NVZRSXCHXMIRHE-UHFFFAOYSA-N -1 1 289.257 1.916 20 0 CDADMM CCc1nnc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)n1C ZINC000697339230 600296710 /nfs/dbraw/zinc/29/67/10/600296710.db2.gz WQQKJWCXNMURFO-JTQLQIEISA-N -1 1 278.356 1.064 20 0 CDADMM C[C@@H]1CCCN(C(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)C1 ZINC000405404914 600303554 /nfs/dbraw/zinc/30/35/54/600303554.db2.gz PKBHCWWSLVYSNZ-CHWSQXEVSA-N -1 1 294.395 1.432 20 0 CDADMM C[C@H](C[N@H+](C)Cc1cc(=O)oc2cc([O-])ccc12)C(=O)[O-] ZINC000042706519 600374264 /nfs/dbraw/zinc/37/42/64/600374264.db2.gz DAEAYEMVKVRTPL-SECBINFHSA-N -1 1 291.303 1.651 20 0 CDADMM C[C@H](C[N@@H+](C)Cc1cc(=O)oc2cc([O-])ccc12)C(=O)[O-] ZINC000042706519 600374268 /nfs/dbraw/zinc/37/42/68/600374268.db2.gz DAEAYEMVKVRTPL-SECBINFHSA-N -1 1 291.303 1.651 20 0 CDADMM O=C([O-])c1csc(CN2CC[C@H]3OCCC[C@H]3C2)n1 ZINC001602560560 1175297213 /nfs/dbraw/zinc/29/72/13/1175297213.db2.gz JICRGZMZUGZJQU-GXSJLCMTSA-N -1 1 282.365 1.842 20 0 CDADMM CC(C)(C)C[C@@H](CO)Nc1cccc(-c2nnn[n-]2)n1 ZINC000819906757 607468899 /nfs/dbraw/zinc/46/88/99/607468899.db2.gz JXBSLYQABLOCAX-VIFPVBQESA-N -1 1 276.344 1.471 20 0 CDADMM CC(C)(C)C[C@@H](CO)Nc1cccc(-c2nn[n-]n2)n1 ZINC000819906757 607468900 /nfs/dbraw/zinc/46/89/00/607468900.db2.gz JXBSLYQABLOCAX-VIFPVBQESA-N -1 1 276.344 1.471 20 0 CDADMM C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1nnc[nH]1 ZINC000827629350 600833607 /nfs/dbraw/zinc/83/36/07/600833607.db2.gz BQEGHWLWRMEVDE-SECBINFHSA-N -1 1 288.307 1.313 20 0 CDADMM CC[C@@H](O)CN1CCN(Cc2cc(C(=O)[O-])oc2C)CC1 ZINC000829005310 600841689 /nfs/dbraw/zinc/84/16/89/600841689.db2.gz YOHHCMZSHWLOCW-CYBMUJFWSA-N -1 1 296.367 1.175 20 0 CDADMM CON(C)C(=O)CN(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000831836487 601054975 /nfs/dbraw/zinc/05/49/75/601054975.db2.gz HXWIOLMMSSAJQZ-GFCCVEGCSA-N -1 1 294.351 1.229 20 0 CDADMM C[C@@H](C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)N(C)C ZINC000832803807 601137430 /nfs/dbraw/zinc/13/74/30/601137430.db2.gz ZPSRTERCCRQEMF-VIFPVBQESA-N -1 1 262.309 1.177 20 0 CDADMM Cc1ccccc1OC[C@H](O)CN1CC[C@](F)(C(=O)[O-])C1 ZINC000832979388 601439309 /nfs/dbraw/zinc/43/93/09/601439309.db2.gz OBMIGMPTLUMCRD-IUODEOHRSA-N -1 1 297.326 1.233 20 0 CDADMM O=C([O-])c1sccc1CN[C@H]1C[C@@H]2CCCCN2C1=O ZINC001602595216 1175313603 /nfs/dbraw/zinc/31/36/03/1175313603.db2.gz KGTKKBVKNJMITG-QWRGUYRKSA-N -1 1 294.376 1.689 20 0 CDADMM O=C([O-])CC1(NCc2coc(C3CC3)n2)CCOCC1 ZINC000833205376 601561421 /nfs/dbraw/zinc/56/14/21/601561421.db2.gz BIFMUSQTGLPPDQ-UHFFFAOYSA-N -1 1 280.324 1.666 20 0 CDADMM C[N@@H+](CCCCS(C)(=O)=O)Cc1ccc(C(=O)[O-])cc1 ZINC000705529870 601856761 /nfs/dbraw/zinc/85/67/61/601856761.db2.gz HYDUTPJKNFKTEE-UHFFFAOYSA-N -1 1 299.392 1.641 20 0 CDADMM C[C@H](c1nc(C2CC2)no1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000827958195 601933284 /nfs/dbraw/zinc/93/32/84/601933284.db2.gz QNJHXLGIFDZDIE-OQPBUACISA-N -1 1 265.313 1.805 20 0 CDADMM C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000827986172 602008471 /nfs/dbraw/zinc/00/84/71/602008471.db2.gz ONZTYJYULIQWFX-XPTSAGLGSA-N -1 1 277.324 1.153 20 0 CDADMM C[C@@H](CC(=O)[O-])C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000827280824 602071857 /nfs/dbraw/zinc/07/18/57/602071857.db2.gz MXEQCZUGJDLENW-UWVGGRQHSA-N -1 1 284.381 1.578 20 0 CDADMM CCCCc1noc(CNC(C)(C)CC(=O)[O-])n1 ZINC000829440717 602259984 /nfs/dbraw/zinc/25/99/84/602259984.db2.gz PKBYYWWKWICMGV-UHFFFAOYSA-N -1 1 255.318 1.755 20 0 CDADMM CCCC1(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)CCC1 ZINC000829231346 602315640 /nfs/dbraw/zinc/31/56/40/602315640.db2.gz WXVWGZVXHNUZHV-CYBMUJFWSA-N -1 1 296.411 1.964 20 0 CDADMM CN1CCN(C(=O)CCNC(=O)[O-])C2(CCCCC2)C1 ZINC000828500991 603553739 /nfs/dbraw/zinc/55/37/39/603553739.db2.gz SFQJESCNHNCVMQ-UHFFFAOYSA-N -1 1 283.372 1.121 20 0 CDADMM CC(C)C[C@@H](NC(=O)CN(C)[C@@H]1CCSC1)C(=O)[O-] ZINC000819966945 604662522 /nfs/dbraw/zinc/66/25/22/604662522.db2.gz IOUWQWIVENDCLI-GHMZBOCLSA-N -1 1 288.413 1.039 20 0 CDADMM CCCn1c(C)nnc1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000833652459 605045550 /nfs/dbraw/zinc/04/55/50/605045550.db2.gz JARJJXDDTBCOOI-LBPRGKRZSA-N -1 1 292.383 1.683 20 0 CDADMM CCN1C[C@H](C)N(C(=O)NCCCCCC(=O)[O-])C[C@H]1C ZINC000820348451 605141418 /nfs/dbraw/zinc/14/14/18/605141418.db2.gz VULNJTGYSRYEMD-OLZOCXBDSA-N -1 1 299.415 1.756 20 0 CDADMM CC1=C(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)CCC1 ZINC000833578606 605168103 /nfs/dbraw/zinc/16/81/03/605168103.db2.gz QDUVPVLZRDFNCM-GFCCVEGCSA-N -1 1 280.368 1.494 20 0 CDADMM CCN1C[C@H](C)N(C(=O)[C@H](NC(=O)[O-])C(C)C)C[C@H]1C ZINC000833655597 605173428 /nfs/dbraw/zinc/17/34/28/605173428.db2.gz FCRBXJFKNKWEDF-GRYCIOLGSA-N -1 1 285.388 1.220 20 0 CDADMM C[C@H]1CN(C(=O)C(C)(C)C)CCN1CCC(=O)[O-] ZINC000833618478 605255869 /nfs/dbraw/zinc/25/58/69/605255869.db2.gz OPHQUSQAVSBIER-JTQLQIEISA-N -1 1 256.346 1.040 20 0 CDADMM C[C@H]1CN(C(=O)Cc2cccs2)CCN1CCC(=O)[O-] ZINC000833622067 605276105 /nfs/dbraw/zinc/27/61/05/605276105.db2.gz LNHUNHFSFTXPCN-NSHDSACASA-N -1 1 296.392 1.298 20 0 CDADMM C[C@H]1CN(C(=O)/C=C\C(C)(C)C)CCN1CCC(=O)[O-] ZINC000833618204 605276823 /nfs/dbraw/zinc/27/68/23/605276823.db2.gz LURYFFDHOMOZBR-HWPRWLFBSA-N -1 1 282.384 1.596 20 0 CDADMM CC(C)(C)[C@H]1CCN(Cn2cc(C(=O)[O-])nn2)C1 ZINC000833425788 605348930 /nfs/dbraw/zinc/34/89/30/605348930.db2.gz QDEOOEXUIJTBRI-VIFPVBQESA-N -1 1 252.318 1.302 20 0 CDADMM CC(C)C[C@@H](NC(=O)CN1C[C@H](C)CC(C)(C)C1)C(=O)[O-] ZINC000833479228 605403543 /nfs/dbraw/zinc/40/35/43/605403543.db2.gz XQFLQEYASSLKFT-CHWSQXEVSA-N -1 1 298.427 1.970 20 0 CDADMM CCc1nc([C@@H](C)NC(=O)CC(C)(C)CC(=O)[O-])n[nH]1 ZINC000833673684 605720292 /nfs/dbraw/zinc/72/02/92/605720292.db2.gz LRJQNROJZXQEDZ-MRVPVSSYSA-N -1 1 282.344 1.435 20 0 CDADMM CC1(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])CCCCCC1 ZINC000833552671 605855926 /nfs/dbraw/zinc/85/59/26/605855926.db2.gz FQQKPSQPFHVMKU-LBPRGKRZSA-N -1 1 293.367 1.882 20 0 CDADMM CC1(COC(=O)c2ccc(-c3nnn[n-]3)s2)COC1 ZINC000820623439 606137265 /nfs/dbraw/zinc/13/72/65/606137265.db2.gz QHMRETHSWGWUCA-UHFFFAOYSA-N -1 1 280.309 1.122 20 0 CDADMM CC1(COC(=O)c2ccc(-c3nn[n-]n3)s2)COC1 ZINC000820623439 606137266 /nfs/dbraw/zinc/13/72/66/606137266.db2.gz QHMRETHSWGWUCA-UHFFFAOYSA-N -1 1 280.309 1.122 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000823290620 606197971 /nfs/dbraw/zinc/19/79/71/606197971.db2.gz ZJRPBSORMPMKEK-IWIIMEHWSA-N -1 1 299.334 1.947 20 0 CDADMM COC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(C)C ZINC000821683484 606573161 /nfs/dbraw/zinc/57/31/61/606573161.db2.gz BRALKIHKUDAFLM-MRVPVSSYSA-N -1 1 295.368 1.329 20 0 CDADMM COC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(C)C ZINC000821683484 606573163 /nfs/dbraw/zinc/57/31/63/606573163.db2.gz BRALKIHKUDAFLM-MRVPVSSYSA-N -1 1 295.368 1.329 20 0 CDADMM CC(C)[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000820044913 606725729 /nfs/dbraw/zinc/72/57/29/606725729.db2.gz IVOJLLXQDMUFLK-JTQLQIEISA-N -1 1 258.329 1.744 20 0 CDADMM CC(C)[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000820044913 606725730 /nfs/dbraw/zinc/72/57/30/606725730.db2.gz IVOJLLXQDMUFLK-JTQLQIEISA-N -1 1 258.329 1.744 20 0 CDADMM C[C@H]1C[C@H](CCn2cnc(-c3nn[n-]n3)n2)C[C@@H](C)C1 ZINC000820649125 606792159 /nfs/dbraw/zinc/79/21/59/606792159.db2.gz IUVPQWGLLICISX-URLYPYJESA-N -1 1 275.360 1.921 20 0 CDADMM CCOc1cccc(NCc2ccc(-c3nnn[n-]3)o2)n1 ZINC000821431771 607228895 /nfs/dbraw/zinc/22/88/95/607228895.db2.gz ZHGKQYLTBMBRNQ-UHFFFAOYSA-N -1 1 286.295 1.866 20 0 CDADMM CCOc1cccc(NCc2ccc(-c3nn[n-]n3)o2)n1 ZINC000821431771 607228896 /nfs/dbraw/zinc/22/88/96/607228896.db2.gz ZHGKQYLTBMBRNQ-UHFFFAOYSA-N -1 1 286.295 1.866 20 0 CDADMM CN(CCOc1ccccc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825946433 607987658 /nfs/dbraw/zinc/98/76/58/607987658.db2.gz XZZDASLMDNANNB-UHFFFAOYSA-N -1 1 297.322 1.172 20 0 CDADMM CN(CCOc1ccccc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825946433 607987659 /nfs/dbraw/zinc/98/76/59/607987659.db2.gz XZZDASLMDNANNB-UHFFFAOYSA-N -1 1 297.322 1.172 20 0 CDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000820513121 608166159 /nfs/dbraw/zinc/16/61/59/608166159.db2.gz VHARGOKTOYHFCA-ZCFIWIBFSA-N -1 1 264.310 1.884 20 0 CDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000820513121 608166162 /nfs/dbraw/zinc/16/61/62/608166162.db2.gz VHARGOKTOYHFCA-ZCFIWIBFSA-N -1 1 264.310 1.884 20 0 CDADMM Cn1cc(Nc2snc(Cl)c2-c2nnn[n-]2)cn1 ZINC000826362517 608176994 /nfs/dbraw/zinc/17/69/94/608176994.db2.gz VZACEJFSBOZNNZ-UHFFFAOYSA-N -1 1 282.720 1.454 20 0 CDADMM Cn1cc(Nc2snc(Cl)c2-c2nn[n-]n2)cn1 ZINC000826362517 608176995 /nfs/dbraw/zinc/17/69/95/608176995.db2.gz VZACEJFSBOZNNZ-UHFFFAOYSA-N -1 1 282.720 1.454 20 0 CDADMM COCCc1ccc(Oc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826163170 608389751 /nfs/dbraw/zinc/38/97/51/608389751.db2.gz IYZHDLOHPDGZGE-UHFFFAOYSA-N -1 1 298.306 1.638 20 0 CDADMM COCCc1ccc(Oc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826163170 608389753 /nfs/dbraw/zinc/38/97/53/608389753.db2.gz IYZHDLOHPDGZGE-UHFFFAOYSA-N -1 1 298.306 1.638 20 0 CDADMM Cc1ccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)o1 ZINC000826282698 608391712 /nfs/dbraw/zinc/39/17/12/608391712.db2.gz ASPIRNQNDFDNPM-MRVPVSSYSA-N -1 1 271.284 1.731 20 0 CDADMM Cc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)o1 ZINC000826282698 608391714 /nfs/dbraw/zinc/39/17/14/608391714.db2.gz ASPIRNQNDFDNPM-MRVPVSSYSA-N -1 1 271.284 1.731 20 0 CDADMM CN(CCNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC000825941865 608393588 /nfs/dbraw/zinc/39/35/88/608393588.db2.gz PPDJKIAKFVHRDF-UHFFFAOYSA-N -1 1 296.338 1.205 20 0 CDADMM CN(CCNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC000825941865 608393590 /nfs/dbraw/zinc/39/35/90/608393590.db2.gz PPDJKIAKFVHRDF-UHFFFAOYSA-N -1 1 296.338 1.205 20 0 CDADMM COc1cccc([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826214215 608401991 /nfs/dbraw/zinc/40/19/91/608401991.db2.gz DQMPDOMHRIJSMI-VIFPVBQESA-N -1 1 297.322 1.838 20 0 CDADMM COc1cccc([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826214215 608401993 /nfs/dbraw/zinc/40/19/93/608401993.db2.gz DQMPDOMHRIJSMI-VIFPVBQESA-N -1 1 297.322 1.838 20 0 CDADMM Cc1cccc2c1CCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC000826305483 608413906 /nfs/dbraw/zinc/41/39/06/608413906.db2.gz YARAMIZHXZBFRI-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM Cc1cccc2c1CCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC000826305483 608413907 /nfs/dbraw/zinc/41/39/07/608413907.db2.gz YARAMIZHXZBFRI-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM COC1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826145479 608419419 /nfs/dbraw/zinc/41/94/19/608419419.db2.gz HKZZSDODNWISCJ-UHFFFAOYSA-N -1 1 289.343 1.051 20 0 CDADMM COC1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826145479 608419420 /nfs/dbraw/zinc/41/94/20/608419420.db2.gz HKZZSDODNWISCJ-UHFFFAOYSA-N -1 1 289.343 1.051 20 0 CDADMM C[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@H]1C ZINC000824946811 608423020 /nfs/dbraw/zinc/42/30/20/608423020.db2.gz LCAVVZJBCALBFX-IUCAKERBSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@H]1C ZINC000824946811 608423021 /nfs/dbraw/zinc/42/30/21/608423021.db2.gz LCAVVZJBCALBFX-IUCAKERBSA-N -1 1 259.317 1.282 20 0 CDADMM Cc1cnc([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)s1 ZINC000826317881 608429864 /nfs/dbraw/zinc/42/98/64/608429864.db2.gz PCRUGNCWNDCFFC-SSDOTTSWSA-N -1 1 288.340 1.595 20 0 CDADMM Cc1cnc([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)s1 ZINC000826317881 608429866 /nfs/dbraw/zinc/42/98/66/608429866.db2.gz PCRUGNCWNDCFFC-SSDOTTSWSA-N -1 1 288.340 1.595 20 0 CDADMM C[C@H]1c2cccn2CCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000825029567 608496876 /nfs/dbraw/zinc/49/68/76/608496876.db2.gz WOLGOPUMAONAHI-JTQLQIEISA-N -1 1 284.323 1.838 20 0 CDADMM C[C@H]1c2cccn2CCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000825029567 608496878 /nfs/dbraw/zinc/49/68/78/608496878.db2.gz WOLGOPUMAONAHI-JTQLQIEISA-N -1 1 284.323 1.838 20 0 CDADMM CO[C@@H]1[C@@H](C)[C@H](Nc2cccc(-c3nnn[n-]3)n2)C1(C)C ZINC000826144566 608587908 /nfs/dbraw/zinc/58/79/08/608587908.db2.gz MJMNJWPCJSGVNP-KPXOXKRLSA-N -1 1 288.355 1.733 20 0 CDADMM CO[C@@H]1[C@@H](C)[C@H](Nc2cccc(-c3nn[n-]n3)n2)C1(C)C ZINC000826144566 608587909 /nfs/dbraw/zinc/58/79/09/608587909.db2.gz MJMNJWPCJSGVNP-KPXOXKRLSA-N -1 1 288.355 1.733 20 0 CDADMM Cc1nc(C)c(CC(=O)[N-]OCC(F)F)s1 ZINC000897394490 620700207 /nfs/dbraw/zinc/70/02/07/620700207.db2.gz NWNAZBJHIVDTFK-UHFFFAOYSA-N -1 1 250.270 1.615 20 0 CDADMM CCc1ccc(C(=O)Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000825704453 608889220 /nfs/dbraw/zinc/88/92/20/608889220.db2.gz ITRZVMBSJPYIOH-UHFFFAOYSA-N -1 1 282.307 1.509 20 0 CDADMM CCc1ccc(C(=O)Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000825704453 608889222 /nfs/dbraw/zinc/88/92/22/608889222.db2.gz ITRZVMBSJPYIOH-UHFFFAOYSA-N -1 1 282.307 1.509 20 0 CDADMM CC(C)(C)OCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824119792 609391257 /nfs/dbraw/zinc/39/12/57/609391257.db2.gz QICUUDDJORJYHV-UHFFFAOYSA-N -1 1 291.311 1.326 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C[C@H]1F ZINC000824947096 609400227 /nfs/dbraw/zinc/40/02/27/609400227.db2.gz MKEBNOAFIPVSQA-HTQZYQBOSA-N -1 1 295.343 1.748 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C[C@H]1F ZINC000824947096 609400229 /nfs/dbraw/zinc/40/02/29/609400229.db2.gz MKEBNOAFIPVSQA-HTQZYQBOSA-N -1 1 295.343 1.748 20 0 CDADMM O=C(NCc1cnc2n1CCOC2)c1cc(F)ccc1[O-] ZINC000890845310 617342127 /nfs/dbraw/zinc/34/21/27/617342127.db2.gz OMOFYKNIPCEPAY-UHFFFAOYSA-N -1 1 291.282 1.188 20 0 CDADMM COCc1nc(N2CCCC[C@@H](COC)C2)cc(=O)[n-]1 ZINC000893216628 617470011 /nfs/dbraw/zinc/47/00/11/617470011.db2.gz WMUWGMAZROUXHM-LLVKDONJSA-N -1 1 281.356 1.582 20 0 CDADMM CCn1ncn([N-]C(=O)N[C@](C)(CC)C(F)(F)F)c1=O ZINC000933510849 617474293 /nfs/dbraw/zinc/47/42/93/617474293.db2.gz XWYAOEOUVSMPLQ-SECBINFHSA-N -1 1 295.265 1.049 20 0 CDADMM CCCC(=O)N1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000949739166 614758368 /nfs/dbraw/zinc/75/83/68/614758368.db2.gz TYACTUVVYKLCLP-LLVKDONJSA-N -1 1 291.351 1.308 20 0 CDADMM COCCCCCNc1cc(=O)[n-]c(COC)n1 ZINC000892134052 617499454 /nfs/dbraw/zinc/49/94/54/617499454.db2.gz VWRYLXCEMYINIA-UHFFFAOYSA-N -1 1 255.318 1.557 20 0 CDADMM O=C(C=C[C@H]1CCCO1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891615838 617506998 /nfs/dbraw/zinc/50/69/98/617506998.db2.gz VJJSRJVEDXSAET-GQYWMQPJSA-N -1 1 289.335 1.735 20 0 CDADMM CCOCCCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891623561 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OZCPIPOQWRNUEK-UHFFFAOYSA-N -1 1 272.312 1.324 20 0 CDADMM O=C(NC1CCCCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606660733 1163951499 /nfs/dbraw/zinc/95/14/99/1163951499.db2.gz OZCPIPOQWRNUEK-UHFFFAOYSA-N -1 1 272.312 1.324 20 0 CDADMM CO[C@H](CN(C)[C@H](COC1CCC1)C(=O)[O-])C1CC1 ZINC001606668077 1163954021 /nfs/dbraw/zinc/95/40/21/1163954021.db2.gz HMEXSJGEIWYWAF-CHWSQXEVSA-N -1 1 271.357 1.366 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@@H]2CCC[C@H]21 ZINC001607021994 1164061971 /nfs/dbraw/zinc/06/19/71/1164061971.db2.gz JXVASUMGBOUERF-GXFFZTMASA-N -1 1 298.350 1.666 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@@H]2CCC[C@H]21 ZINC001607021994 1164061976 /nfs/dbraw/zinc/06/19/76/1164061976.db2.gz JXVASUMGBOUERF-GXFFZTMASA-N -1 1 298.350 1.666 20 0 CDADMM O[C@@H]1CCC[C@@H](CSc2cccnc2-c2nnn[n-]2)C1 ZINC001607099521 1164079346 /nfs/dbraw/zinc/07/93/46/1164079346.db2.gz BYVWOLYVHFTYAE-NXEZZACHSA-N -1 1 291.380 1.905 20 0 CDADMM O[C@@H]1CCC[C@@H](CSc2cccnc2-c2nn[n-]n2)C1 ZINC001607099521 1164079351 /nfs/dbraw/zinc/07/93/51/1164079351.db2.gz BYVWOLYVHFTYAE-NXEZZACHSA-N -1 1 291.380 1.905 20 0 CDADMM OCC[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001607106552 1164086706 /nfs/dbraw/zinc/08/67/06/1164086706.db2.gz XMXUZHGCVZQLFB-LLVKDONJSA-N -1 1 288.355 1.251 20 0 CDADMM OCC[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001607106552 1164086713 /nfs/dbraw/zinc/08/67/13/1164086713.db2.gz XMXUZHGCVZQLFB-LLVKDONJSA-N -1 1 288.355 1.251 20 0 CDADMM c1cc(-c2nnc([C@H]3CCCCO3)o2)oc1-c1nn[n-]n1 ZINC001607113682 1164092046 /nfs/dbraw/zinc/09/20/46/1164092046.db2.gz NYQFLJKVTQPZEN-MRVPVSSYSA-N -1 1 288.267 1.751 20 0 CDADMM c1cn(Cc2cnc(-c3ccccc3)o2)c(-c2nnn[n-]2)n1 ZINC001607124765 1164107937 /nfs/dbraw/zinc/10/79/37/1164107937.db2.gz CGAUATFYGIXPQR-UHFFFAOYSA-N -1 1 293.290 1.767 20 0 CDADMM c1cn(Cc2cnc(-c3ccccc3)o2)c(-c2nn[n-]n2)n1 ZINC001607124765 1164107939 /nfs/dbraw/zinc/10/79/39/1164107939.db2.gz CGAUATFYGIXPQR-UHFFFAOYSA-N -1 1 293.290 1.767 20 0 CDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CC[C@@H]2C[C@@H]2C1 ZINC001607131547 1164109735 /nfs/dbraw/zinc/10/97/35/1164109735.db2.gz HEHFOUGKVKQBPD-NXEZZACHSA-N -1 1 293.334 1.656 20 0 CDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CC[C@@H]2C[C@@H]2C1 ZINC001607131547 1164109740 /nfs/dbraw/zinc/10/97/40/1164109740.db2.gz HEHFOUGKVKQBPD-NXEZZACHSA-N -1 1 293.334 1.656 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCC[C@@H]2CCCS2)c1 ZINC001607133334 1164112435 /nfs/dbraw/zinc/11/24/35/1164112435.db2.gz CNXWSQZMYSQBQM-VIFPVBQESA-N -1 1 276.369 1.959 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCC[C@@H]2CCCS2)c1 ZINC001607133334 1164112440 /nfs/dbraw/zinc/11/24/40/1164112440.db2.gz CNXWSQZMYSQBQM-VIFPVBQESA-N -1 1 276.369 1.959 20 0 CDADMM c1cncc([C@H]2C[C@@H]2Nc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001607135933 1164114068 /nfs/dbraw/zinc/11/40/68/1164114068.db2.gz VDRVGAMQVIZOOD-NEPJUHHUSA-N -1 1 279.307 1.047 20 0 CDADMM c1cncc([C@H]2C[C@@H]2Nc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001607135933 1164114071 /nfs/dbraw/zinc/11/40/71/1164114071.db2.gz 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ZINC001607770972 1164290256 /nfs/dbraw/zinc/29/02/56/1164290256.db2.gz PRPNFYQREAPVPI-ZDUSSCGKSA-N -1 1 286.335 1.732 20 0 CDADMM Cc1ccc(CNC(=O)[C@@H](C)N[C@@H](C(=O)[O-])C2CC2)cc1 ZINC001607781363 1164294241 /nfs/dbraw/zinc/29/42/41/1164294241.db2.gz LZAWIBRLOVOJDA-BXUZGUMPSA-N -1 1 290.363 1.453 20 0 CDADMM Cc1ccc(NCc2n[nH]c(C3CC3)n2)nc1C(=O)[O-] ZINC001607808272 1164303651 /nfs/dbraw/zinc/30/36/51/1164303651.db2.gz KYRUFFGTTQZBKT-UHFFFAOYSA-N -1 1 273.296 1.696 20 0 CDADMM Cc1ccccc1[C@H](N)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001607879144 1164319739 /nfs/dbraw/zinc/31/97/39/1164319739.db2.gz VCGOCNNTDSRUMK-ZDUSSCGKSA-N -1 1 276.336 1.318 20 0 CDADMM Cc1ccccc1NC(=O)[C@H](C)N[C@H](C(=O)[O-])C1CC1 ZINC001607885955 1164321245 /nfs/dbraw/zinc/32/12/45/1164321245.db2.gz SWPWUGUCYWUFPP-GWCFXTLKSA-N -1 1 276.336 1.775 20 0 CDADMM Cc1ncc(NC(=O)CCc2cnc[nH]2)cc1C(=O)[O-] ZINC001607979892 1164360067 /nfs/dbraw/zinc/36/00/67/1164360067.db2.gz BBDHHFHYKSZZEE-UHFFFAOYSA-N -1 1 274.280 1.383 20 0 CDADMM Cc1noc([C@H](C)N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@@H]23)n1 ZINC001608021185 1164380399 /nfs/dbraw/zinc/38/03/99/1164380399.db2.gz LUKGUUUEMXGENK-RTCAKPBESA-N -1 1 265.313 1.528 20 0 CDADMM Cc1noc(C(C)C)c1NS(=O)(=O)CCC(=O)[O-] ZINC001608021150 1164380448 /nfs/dbraw/zinc/38/04/48/1164380448.db2.gz KLOKJGXPHDSGOV-UHFFFAOYSA-N -1 1 276.314 1.323 20 0 CDADMM O=C([O-])c1cc(Cl)cc(NC(=O)Cc2nc[nH]n2)c1O ZINC001608371163 1164500300 /nfs/dbraw/zinc/50/03/00/1164500300.db2.gz DIGFRRQMWMTQAG-UHFFFAOYSA-N -1 1 296.670 1.043 20 0 CDADMM O=C([O-])C[C@H](NC(=O)c1cc(F)cc(F)c1O)C1CC1 ZINC001608671967 1164598028 /nfs/dbraw/zinc/59/80/28/1164598028.db2.gz LZFUIZWVPXCCQF-JTQLQIEISA-N -1 1 285.246 1.654 20 0 CDADMM O=C([O-])CN(C(=O)c1cncc2nc[nH]c21)c1ccccc1 ZINC001608744006 1164627346 /nfs/dbraw/zinc/62/73/46/1164627346.db2.gz QFWYTUFFBMYLOW-UHFFFAOYSA-N -1 1 296.286 1.689 20 0 CDADMM O=C([O-])c1ccnc(NCc2ccc3cncn3c2)n1 ZINC001608953632 1164694799 /nfs/dbraw/zinc/69/47/99/1164694799.db2.gz JPNWMFHVSAUTQR-UHFFFAOYSA-N -1 1 269.264 1.435 20 0 CDADMM O=C([O-])c1sccc1C(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC001609008221 1164720173 /nfs/dbraw/zinc/72/01/73/1164720173.db2.gz JWRYNSZNQQSMMM-ZETCQYMHSA-N -1 1 292.320 1.194 20 0 CDADMM O=Cc1cc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)co1 ZINC001609048078 1164740306 /nfs/dbraw/zinc/74/03/06/1164740306.db2.gz CFZVBFYRFHOWAP-UHFFFAOYSA-N -1 1 299.242 1.919 20 0 CDADMM CC1(C)C[C@@H]1CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609144916 1164791713 /nfs/dbraw/zinc/79/17/13/1164791713.db2.gz SNEQKYMPNKTJSD-MRVPVSSYSA-N -1 1 277.353 1.704 20 0 CDADMM CC1(CNc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001609149680 1164796657 /nfs/dbraw/zinc/79/66/57/1164796657.db2.gz WHDAWGJCMSEMOQ-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM C[C@@H]1CCCC[C@@H]1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001609163957 1164810331 /nfs/dbraw/zinc/81/03/31/1164810331.db2.gz IZSGUJBAFSGPRK-BDAKNGLRSA-N -1 1 289.343 1.365 20 0 CDADMM C[C@@H]1CCCC[C@@H]1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001609163957 1164810339 /nfs/dbraw/zinc/81/03/39/1164810339.db2.gz IZSGUJBAFSGPRK-BDAKNGLRSA-N -1 1 289.343 1.365 20 0 CDADMM CC[C@H]1CCCN(Cn2cccc(-c3nnn[n-]3)c2=O)C1 ZINC001609200978 1164841546 /nfs/dbraw/zinc/84/15/46/1164841546.db2.gz UHNJZLSQALRRQL-NSHDSACASA-N -1 1 288.355 1.108 20 0 CDADMM CC[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609200850 1164842579 /nfs/dbraw/zinc/84/25/79/1164842579.db2.gz LVRNCVMVMKBKIS-ZETCQYMHSA-N -1 1 263.326 1.553 20 0 CDADMM CC[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609200850 1164842582 /nfs/dbraw/zinc/84/25/82/1164842582.db2.gz LVRNCVMVMKBKIS-ZETCQYMHSA-N -1 1 263.326 1.553 20 0 CDADMM CON(CC(C)(C)C)c1nccnc1-c1nn[nH]n1 ZINC001609332145 1164903237 /nfs/dbraw/zinc/90/32/37/1164903237.db2.gz WHJPDTVGXNNNKK-UHFFFAOYSA-N -1 1 263.305 1.071 20 0 CDADMM CON(CC(C)(C)C)c1nccnc1-c1nn[n-]n1 ZINC001609332145 1164903242 /nfs/dbraw/zinc/90/32/42/1164903242.db2.gz WHJPDTVGXNNNKK-UHFFFAOYSA-N -1 1 263.305 1.071 20 0 CDADMM Cc1cc(N2CC[C@@H]3OCC[C@@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001609405461 1164931239 /nfs/dbraw/zinc/93/12/39/1164931239.db2.gz LPIXUZXJEFNTCU-MFKMUULPSA-N -1 1 286.339 1.185 20 0 CDADMM Cc1cc(N2CC[C@@H]3OCC[C@@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001609405461 1164931248 /nfs/dbraw/zinc/93/12/48/1164931248.db2.gz LPIXUZXJEFNTCU-MFKMUULPSA-N -1 1 286.339 1.185 20 0 CDADMM Cc1ccc(CN(C)c2nc(C)cc(-c3nnn[n-]3)n2)cc1 ZINC001609423468 1164940440 /nfs/dbraw/zinc/94/04/40/1164940440.db2.gz RWHBQYHCXMFELI-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccc(CN(C)c2nc(C)cc(-c3nn[n-]n3)n2)cc1 ZINC001609423468 1164940446 /nfs/dbraw/zinc/94/04/46/1164940446.db2.gz RWHBQYHCXMFELI-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CCS[C@H]1C ZINC001609467759 1164966072 /nfs/dbraw/zinc/96/60/72/1164966072.db2.gz SHEPUDRMTFXPPA-CBAPKCEASA-N -1 1 293.352 1.392 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CCS[C@H]1C ZINC001609467759 1164966078 /nfs/dbraw/zinc/96/60/78/1164966078.db2.gz SHEPUDRMTFXPPA-CBAPKCEASA-N -1 1 293.352 1.392 20 0 CDADMM Clc1nsc(N2CCCO2)c1-c1nnn[n-]1 ZINC001609474450 1164967052 /nfs/dbraw/zinc/96/70/52/1164967052.db2.gz APGMATWJRVEPFT-UHFFFAOYSA-N -1 1 258.694 1.118 20 0 CDADMM Clc1nsc(N2CCCO2)c1-c1nn[n-]n1 ZINC001609474450 1164967058 /nfs/dbraw/zinc/96/70/58/1164967058.db2.gz APGMATWJRVEPFT-UHFFFAOYSA-N -1 1 258.694 1.118 20 0 CDADMM Fc1ccc2c(c1)CCN2c1cc(-c2nnn[n-]2)ncn1 ZINC001609491666 1164975629 /nfs/dbraw/zinc/97/56/29/1164975629.db2.gz YMFQECMDNTYQIF-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM Fc1ccc2c(c1)CCN2c1cc(-c2nn[n-]n2)ncn1 ZINC001609491666 1164975635 /nfs/dbraw/zinc/97/56/35/1164975635.db2.gz YMFQECMDNTYQIF-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM O=C(NC/C=C\C1CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001609547131 1164987220 /nfs/dbraw/zinc/98/72/20/1164987220.db2.gz QDKWAGAMCUFULQ-IHWYPQMZSA-N -1 1 287.298 1.702 20 0 CDADMM O=C(NC/C=C\C1CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001609547131 1164987226 /nfs/dbraw/zinc/98/72/26/1164987226.db2.gz QDKWAGAMCUFULQ-IHWYPQMZSA-N -1 1 287.298 1.702 20 0 CDADMM O=C(Nc1cccc(F)n1)c1ccc(-c2nnn[n-]2)s1 ZINC001609567312 1164989986 /nfs/dbraw/zinc/98/99/86/1164989986.db2.gz BEGXPKMXTGRVBG-UHFFFAOYSA-N -1 1 290.283 1.715 20 0 CDADMM O=C(Nc1cccc(F)n1)c1ccc(-c2nn[n-]n2)s1 ZINC001609567312 1164989987 /nfs/dbraw/zinc/98/99/87/1164989987.db2.gz BEGXPKMXTGRVBG-UHFFFAOYSA-N -1 1 290.283 1.715 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC(C2CC2)C1 ZINC001609566720 1164990217 /nfs/dbraw/zinc/99/02/17/1164990217.db2.gz BDMXEQDJGPNWNC-UHFFFAOYSA-N -1 1 285.311 1.135 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC(C2CC2)C1 ZINC001609566720 1164990229 /nfs/dbraw/zinc/99/02/29/1164990229.db2.gz BDMXEQDJGPNWNC-UHFFFAOYSA-N -1 1 285.311 1.135 20 0 CDADMM O=C(O[C@H]1CCCC[C@@H]1F)c1ccc(-c2nn[n-]n2)o1 ZINC001609578904 1164996435 /nfs/dbraw/zinc/99/64/35/1164996435.db2.gz LAKBCQDLOJTZOK-YUMQZZPRSA-N -1 1 280.259 1.897 20 0 CDADMM O=Cc1cccc(Oc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001609591561 1164999323 /nfs/dbraw/zinc/99/93/23/1164999323.db2.gz JUEIAKFSBMKZPW-UHFFFAOYSA-N -1 1 268.236 1.262 20 0 CDADMM O=Cc1cccc(Oc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001609591561 1164999331 /nfs/dbraw/zinc/99/93/31/1164999331.db2.gz JUEIAKFSBMKZPW-UHFFFAOYSA-N -1 1 268.236 1.262 20 0 CDADMM O=c1c(-c2nn[n-]n2)c2c(cn1CCC1CC1)CCC2 ZINC001609604457 1165000680 /nfs/dbraw/zinc/00/06/80/1165000680.db2.gz RAZRRUNOHUMHBR-UHFFFAOYSA-N -1 1 271.324 1.317 20 0 CDADMM c1ccc2c(c1)OC[C@@H]2CNc1ccnc(-c2nnn[n-]2)c1 ZINC001609618431 1165016072 /nfs/dbraw/zinc/01/60/72/1165016072.db2.gz GKJWGXLOKBBKQI-JTQLQIEISA-N -1 1 294.318 1.272 20 0 CDADMM c1ccc2c(c1)OC[C@@H]2CNc1ccnc(-c2nn[n-]n2)c1 ZINC001609618431 1165016080 /nfs/dbraw/zinc/01/60/80/1165016080.db2.gz GKJWGXLOKBBKQI-JTQLQIEISA-N -1 1 294.318 1.272 20 0 CDADMM C[C@@H](NCCOCCCO)c1cc(C(=O)[O-])co1 ZINC001609778309 1165077196 /nfs/dbraw/zinc/07/71/96/1165077196.db2.gz HCCAIWZBMABJRK-SECBINFHSA-N -1 1 257.286 1.027 20 0 CDADMM CO[C@@H](CN[C@@H](C(=O)[O-])c1ccsc1)C1CC1 ZINC001610230294 1165255245 /nfs/dbraw/zinc/25/52/45/1165255245.db2.gz YNCYNYZDPMVODW-WDEREUQCSA-N -1 1 255.339 1.888 20 0 CDADMM COc1ccc(F)c(CN2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001610338069 1165291825 /nfs/dbraw/zinc/29/18/25/1165291825.db2.gz NHLRMSWEMGCRFU-QWRGUYRKSA-N -1 1 283.299 1.102 20 0 CDADMM C[C@H]1CN(C[C@H](O)CCc2ccccc2)C[C@@H](C(=O)[O-])O1 ZINC001610395777 1165305799 /nfs/dbraw/zinc/30/57/99/1165305799.db2.gz JGFOXFZHQWJHMX-CFVMTHIKSA-N -1 1 293.363 1.154 20 0 CDADMM Cc1ccc2cc(CN3C[C@@H](O)C[C@H]3C(=O)[O-])ccc2n1 ZINC001610515992 1165335638 /nfs/dbraw/zinc/33/56/38/1165335638.db2.gz XVNZFZPKHOHTKX-ZFWWWQNUSA-N -1 1 286.331 1.563 20 0 CDADMM Cc1nc(CCN(C)[C@H](COC(C)C)C(=O)[O-])cs1 ZINC001610554660 1165353512 /nfs/dbraw/zinc/35/35/12/1165353512.db2.gz LIFDRTCXIUBWNR-GFCCVEGCSA-N -1 1 286.397 1.804 20 0 CDADMM Cc1nc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])n(C)c2)n[nH]1 ZINC001610573551 1165361128 /nfs/dbraw/zinc/36/11/28/1165361128.db2.gz VUFMDUCUPFCIHI-LURJTMIESA-N -1 1 292.299 1.033 20 0 CDADMM Cc1sccc1CN1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001610594829 1165369792 /nfs/dbraw/zinc/36/97/92/1165369792.db2.gz VQWCSJCKGLCSJW-GHMZBOCLSA-N -1 1 255.339 1.466 20 0 CDADMM Cc1cc2nc(C)cc(C(=O)Nc3c[n-][nH]c3=O)n2n1 ZINC001611373584 1165490539 /nfs/dbraw/zinc/49/05/39/1165490539.db2.gz BCVSIXMGTBMWEL-UHFFFAOYSA-N -1 1 272.268 1.027 20 0 CDADMM CCc1nc2ccccc2n1CCC(=O)Nc1nnn[n-]1 ZINC001628638518 1166085854 /nfs/dbraw/zinc/08/58/54/1166085854.db2.gz SSQAYHZNHIGOMQ-UHFFFAOYSA-N -1 1 285.311 1.141 20 0 CDADMM CCc1nc2ccccc2n1CCC(=O)Nc1nn[n-]n1 ZINC001628638518 1166085858 /nfs/dbraw/zinc/08/58/58/1166085858.db2.gz SSQAYHZNHIGOMQ-UHFFFAOYSA-N -1 1 285.311 1.141 20 0 CDADMM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)OCc1nn[n-]n1 ZINC001649225527 1166137882 /nfs/dbraw/zinc/13/78/82/1166137882.db2.gz FTUUBWPDNQBYGL-WOPDTQHZSA-N -1 1 296.371 1.720 20 0 CDADMM O=C(Nc1nnc(-c2ccncc2)s1)c1ccc([O-])cn1 ZINC001632367380 1166345017 /nfs/dbraw/zinc/34/50/17/1166345017.db2.gz OCAWORFKLDPKMK-UHFFFAOYSA-N -1 1 299.315 1.953 20 0 CDADMM CCC(CC)(NC(=O)c1ccc(OC)cc1)c1nn[n-]n1 ZINC000095284779 1166617324 /nfs/dbraw/zinc/61/73/24/1166617324.db2.gz NZMMTEMKLJPMEN-UHFFFAOYSA-N -1 1 289.339 1.654 20 0 CDADMM O=C(c1cccc([O-])c1F)N1Cc2cncnc2C1 ZINC001636606085 1166687000 /nfs/dbraw/zinc/68/70/00/1166687000.db2.gz QIURIPLGFPQGPN-UHFFFAOYSA-N -1 1 259.240 1.477 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cnn(C)c1Cl ZINC001637957149 1166806968 /nfs/dbraw/zinc/80/69/68/1166806968.db2.gz BXXMDXFVULSMRT-UHFFFAOYSA-N -1 1 255.665 1.063 20 0 CDADMM Cc1cc(-n2cncn2)ccc1C(=O)Nc1c[n-][nH]c1=O ZINC001641598350 1167123303 /nfs/dbraw/zinc/12/33/03/1167123303.db2.gz VKKRKLRSPVVVOL-UHFFFAOYSA-N -1 1 284.279 1.257 20 0 CDADMM CSc1nc(CNC(=O)C2CCC(O)CC2)cc(=O)[n-]1 ZINC001646250209 1167722903 /nfs/dbraw/zinc/72/29/03/1167722903.db2.gz STJKRYMYGNYYRQ-UHFFFAOYSA-N -1 1 297.380 1.071 20 0 CDADMM Cc1cc(O[C@H](C)C(=O)N(C)c2nn[n-]n2)ccc1Cl ZINC001646264781 1167733790 /nfs/dbraw/zinc/73/37/90/1167733790.db2.gz SPJOBGGRFRRFGX-MRVPVSSYSA-N -1 1 295.730 1.592 20 0 CDADMM CC1=NO[C@](C)(C(=O)Nc2n[n-]c(C(F)(F)F)n2)C1 ZINC001646649289 1168019616 /nfs/dbraw/zinc/01/96/16/1168019616.db2.gz ITGDIBPKLFROKF-QMMMGPOBSA-N -1 1 277.206 1.317 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@]1(F)CCOC1 ZINC001647393021 1168640675 /nfs/dbraw/zinc/64/06/75/1168640675.db2.gz VAUKVNGPTDGTIO-ZDUSSCGKSA-N -1 1 281.287 1.128 20 0 CDADMM CC[C@@H]1CCCC[C@H]1C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001649333044 1169208541 /nfs/dbraw/zinc/20/85/41/1169208541.db2.gz QJYMVPNXFYMOOL-IJLUTSLNSA-N -1 1 277.372 1.732 20 0 CDADMM CCC(CC)(NC(=O)CCOC(C)C)c1nn[n-]n1 ZINC001568663914 1169420623 /nfs/dbraw/zinc/42/06/23/1169420623.db2.gz GCEFCQAXLIDHSD-UHFFFAOYSA-N -1 1 269.349 1.146 20 0 CDADMM O=C(CCCc1nn[n-]n1)NCc1ccc2c(c1)CCC2 ZINC001650004165 1169593107 /nfs/dbraw/zinc/59/31/07/1169593107.db2.gz XOJVQLCJOSBQFT-UHFFFAOYSA-N -1 1 285.351 1.328 20 0 CDADMM CCc1nc(CN2C[C@H](CC)[C@@](F)(C(=O)[O-])C2)n[nH]1 ZINC001573833620 1170796936 /nfs/dbraw/zinc/79/69/36/1170796936.db2.gz MCZXNRNHJDMUBY-QPUJVOFHSA-N -1 1 270.308 1.002 20 0 CDADMM CC[C@@H]1CCCN(c2nnc(-c3c[n-][nH]c3=O)n2C)CC1 ZINC001650278475 1170914172 /nfs/dbraw/zinc/91/41/72/1170914172.db2.gz JPFAXKVJTWNKKM-SNVBAGLBSA-N -1 1 290.371 1.927 20 0 CDADMM Nc1ncccc1CN[C@H](C(=O)[O-])c1cccc(O)c1 ZINC001574292012 1170940748 /nfs/dbraw/zinc/94/07/48/1170940748.db2.gz RMHGQQBUNRPPMY-LBPRGKRZSA-N -1 1 273.292 1.285 20 0 CDADMM O=C([O-])c1n[n-]c(C[NH2+]Cc2cccc(C3CC3)c2)n1 ZINC001574423335 1170978802 /nfs/dbraw/zinc/97/88/02/1170978802.db2.gz VASTUHJSYGOLDP-UHFFFAOYSA-N -1 1 272.308 1.670 20 0 CDADMM c1coc([C@@H]2C[C@H]2Nc2nccnc2-c2nnn[n-]2)c1 ZINC001582820442 1172697627 /nfs/dbraw/zinc/69/76/27/1172697627.db2.gz FNDZEQARSUSYIK-HTQZYQBOSA-N -1 1 269.268 1.218 20 0 CDADMM c1coc([C@@H]2C[C@H]2Nc2nccnc2-c2nn[n-]n2)c1 ZINC001582820442 1172697630 /nfs/dbraw/zinc/69/76/30/1172697630.db2.gz FNDZEQARSUSYIK-HTQZYQBOSA-N -1 1 269.268 1.218 20 0 CDADMM CC(C)(C)O[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001589197783 1173127987 /nfs/dbraw/zinc/12/79/87/1173127987.db2.gz LXRMGUUHFGDCOY-DTORHVGOSA-N -1 1 289.343 1.415 20 0 CDADMM CC(C)(C)O[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001589197783 1173127994 /nfs/dbraw/zinc/12/79/94/1173127994.db2.gz LXRMGUUHFGDCOY-DTORHVGOSA-N -1 1 289.343 1.415 20 0 CDADMM CC(C)(CNc1n[nH]cc1-c1nnn[n-]1)c1ccccc1 ZINC001589288771 1173133840 /nfs/dbraw/zinc/13/38/40/1173133840.db2.gz RQKRXUSXFFFWNH-UHFFFAOYSA-N -1 1 283.339 1.980 20 0 CDADMM CC(C)(CNc1n[nH]cc1-c1nn[n-]n1)c1ccccc1 ZINC001589288771 1173133844 /nfs/dbraw/zinc/13/38/44/1173133844.db2.gz RQKRXUSXFFFWNH-UHFFFAOYSA-N -1 1 283.339 1.980 20 0 CDADMM CC(C)[C@@H]1[C@@H](C(C)C)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001589516391 1173152769 /nfs/dbraw/zinc/15/27/69/1173152769.db2.gz AMKAAZMOLKSQMR-ZYHUDNBSSA-N -1 1 287.371 1.774 20 0 CDADMM CC(C)CCNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001589602175 1173161753 /nfs/dbraw/zinc/16/17/53/1173161753.db2.gz UEKMVVYQCALIMB-UHFFFAOYSA-N -1 1 295.293 1.921 20 0 CDADMM CC(C)CCNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001589602175 1173161758 /nfs/dbraw/zinc/16/17/58/1173161758.db2.gz UEKMVVYQCALIMB-UHFFFAOYSA-N -1 1 295.293 1.921 20 0 CDADMM C[C@H](Cc1cccnc1)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589901532 1173197592 /nfs/dbraw/zinc/19/75/92/1173197592.db2.gz RAHNNKQVVSHBQE-SECBINFHSA-N -1 1 298.306 1.216 20 0 CDADMM C[C@H](Cc1cccnc1)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589901532 1173197594 /nfs/dbraw/zinc/19/75/94/1173197594.db2.gz RAHNNKQVVSHBQE-SECBINFHSA-N -1 1 298.306 1.216 20 0 CDADMM C[C@@H](N(C)C(=O)c1cccc(-c2nnn[n-]2)n1)C1(C)CC1 ZINC001589911323 1173203794 /nfs/dbraw/zinc/20/37/94/1173203794.db2.gz LDXPBRHOKBDVFP-SECBINFHSA-N -1 1 286.339 1.522 20 0 CDADMM C[C@@H](N(C)C(=O)c1cccc(-c2nn[n-]n2)n1)C1(C)CC1 ZINC001589911323 1173203799 /nfs/dbraw/zinc/20/37/99/1173203799.db2.gz LDXPBRHOKBDVFP-SECBINFHSA-N -1 1 286.339 1.522 20 0 CDADMM CC1(C)C[C@H](Nc2cc(-c3nnn[n-]3)ncn2)CCS1 ZINC001590083926 1173248311 /nfs/dbraw/zinc/24/83/11/1173248311.db2.gz OYQYBMPSDGWKNC-MRVPVSSYSA-N -1 1 291.384 1.743 20 0 CDADMM CC1(C)C[C@H](Nc2cc(-c3nn[n-]n3)ncn2)CCS1 ZINC001590083926 1173248319 /nfs/dbraw/zinc/24/83/19/1173248319.db2.gz OYQYBMPSDGWKNC-MRVPVSSYSA-N -1 1 291.384 1.743 20 0 CDADMM CC1(C)C[C@H](Nc2cccc(-c3nnn[n-]3)n2)CO1 ZINC001590083964 1173248738 /nfs/dbraw/zinc/24/87/38/1173248738.db2.gz QCDOQBFPHAUEEL-QMMMGPOBSA-N -1 1 260.301 1.241 20 0 CDADMM CC1(C)C[C@H](Nc2cccc(-c3nn[n-]n3)n2)CO1 ZINC001590083964 1173248742 /nfs/dbraw/zinc/24/87/42/1173248742.db2.gz QCDOQBFPHAUEEL-QMMMGPOBSA-N -1 1 260.301 1.241 20 0 CDADMM CC1(C)CC(Cn2cccc(-c3nn[n-]n3)c2=O)C1 ZINC001590079332 1173248901 /nfs/dbraw/zinc/24/89/01/1173248901.db2.gz FNIKHWBTQULWHU-UHFFFAOYSA-N -1 1 259.313 1.465 20 0 CDADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001590216898 1173294167 /nfs/dbraw/zinc/29/41/67/1173294167.db2.gz BBEIDASLYXLUQU-PXIYARARSA-N -1 1 299.334 1.803 20 0 CDADMM CC1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001590231615 1173309132 /nfs/dbraw/zinc/30/91/32/1173309132.db2.gz VSCSKZFOGADKOJ-UHFFFAOYSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@H]1CCC[C@H](CNc2cc(-c3nnn[n-]3)ncn2)O1 ZINC001590240503 1173314220 /nfs/dbraw/zinc/31/42/20/1173314220.db2.gz DJLQONCZGQCHQY-DTWKUNHWSA-N -1 1 275.316 1.026 20 0 CDADMM C[C@H]1CCC[C@H](CNc2cc(-c3nn[n-]n3)ncn2)O1 ZINC001590240503 1173314227 /nfs/dbraw/zinc/31/42/27/1173314227.db2.gz DJLQONCZGQCHQY-DTWKUNHWSA-N -1 1 275.316 1.026 20 0 CDADMM C[C@@H]1CC[C@]2(CCN(c3cc(-c4nnn[n-]4)ncn3)C2)C1 ZINC001590240356 1173314758 /nfs/dbraw/zinc/31/47/58/1173314758.db2.gz MRBACLGATVRWPQ-YGRLFVJLSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@@H]1CC[C@]2(CCN(c3cc(-c4nn[n-]n4)ncn3)C2)C1 ZINC001590240356 1173314766 /nfs/dbraw/zinc/31/47/66/1173314766.db2.gz MRBACLGATVRWPQ-YGRLFVJLSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001590240687 1173315357 /nfs/dbraw/zinc/31/53/57/1173315357.db2.gz SWVKWRKOZJWWTR-OPRDCNLKSA-N -1 1 273.344 1.315 20 0 CDADMM C[C@H]1CCCC[C@H]1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001590254606 1173322066 /nfs/dbraw/zinc/32/20/66/1173322066.db2.gz XOWXXPFKCFLLRR-IUCAKERBSA-N -1 1 261.333 1.828 20 0 CDADMM C[C@H]1CCCC[C@H]1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001590254606 1173322073 /nfs/dbraw/zinc/32/20/73/1173322073.db2.gz XOWXXPFKCFLLRR-IUCAKERBSA-N -1 1 261.333 1.828 20 0 CDADMM C[C@H]1CCCC[C@@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001590256146 1173323469 /nfs/dbraw/zinc/32/34/69/1173323469.db2.gz ZRPXQMXISWSIMJ-IUCAKERBSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@H]1CCCC[C@@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001590256146 1173323473 /nfs/dbraw/zinc/32/34/73/1173323473.db2.gz ZRPXQMXISWSIMJ-IUCAKERBSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@H]1CCCC[C@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001590256145 1173324680 /nfs/dbraw/zinc/32/46/80/1173324680.db2.gz ZRPXQMXISWSIMJ-DTWKUNHWSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@H]1CCCC[C@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001590256145 1173324687 /nfs/dbraw/zinc/32/46/87/1173324687.db2.gz ZRPXQMXISWSIMJ-DTWKUNHWSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccsc2-c2nnn[n-]2)[C@@H]1C ZINC001590270430 1173330555 /nfs/dbraw/zinc/33/05/55/1173330555.db2.gz WPDZTDHMDVWERW-HTQZYQBOSA-N -1 1 277.353 1.799 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccsc2-c2nn[n-]n2)[C@@H]1C ZINC001590270430 1173330562 /nfs/dbraw/zinc/33/05/62/1173330562.db2.gz WPDZTDHMDVWERW-HTQZYQBOSA-N -1 1 277.353 1.799 20 0 CDADMM C[C@H]1COC[C@H]1Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001590324533 1173353559 /nfs/dbraw/zinc/35/35/59/1173353559.db2.gz MGQNFTGIKZYLKH-LKFCYVNXSA-N -1 1 296.334 1.284 20 0 CDADMM C[C@H]1COC[C@H]1Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001590324533 1173353564 /nfs/dbraw/zinc/35/35/64/1173353564.db2.gz MGQNFTGIKZYLKH-LKFCYVNXSA-N -1 1 296.334 1.284 20 0 CDADMM C[C@H]1COCC[C@H]1CNc1cccnc1-c1nnn[n-]1 ZINC001590323572 1173355282 /nfs/dbraw/zinc/35/52/82/1173355282.db2.gz JYSKQMVDEUZNDQ-UWVGGRQHSA-N -1 1 274.328 1.346 20 0 CDADMM C[C@H]1COCC[C@H]1CNc1cccnc1-c1nn[n-]n1 ZINC001590323572 1173355289 /nfs/dbraw/zinc/35/52/89/1173355289.db2.gz JYSKQMVDEUZNDQ-UWVGGRQHSA-N -1 1 274.328 1.346 20 0 CDADMM C/C=C\CNC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001590353567 1173371233 /nfs/dbraw/zinc/37/12/33/1173371233.db2.gz HSEWHHIFLJUTPL-ARJAWSKDSA-N -1 1 279.329 1.329 20 0 CDADMM C/C=C\CNC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590353567 1173371239 /nfs/dbraw/zinc/37/12/39/1173371239.db2.gz HSEWHHIFLJUTPL-ARJAWSKDSA-N -1 1 279.329 1.329 20 0 CDADMM CC[C@H](OC)C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001590478108 1173428077 /nfs/dbraw/zinc/42/80/77/1173428077.db2.gz FHOKCWOXIRVBQT-QMMMGPOBSA-N -1 1 282.325 1.396 20 0 CDADMM CC[C@@]1(O)CCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590500910 1173437388 /nfs/dbraw/zinc/43/73/88/1173437388.db2.gz RWAAYGSLUYKJQM-CYBMUJFWSA-N -1 1 274.328 1.003 20 0 CDADMM CC[C@@]1(O)CCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590500910 1173437391 /nfs/dbraw/zinc/43/73/91/1173437391.db2.gz RWAAYGSLUYKJQM-CYBMUJFWSA-N -1 1 274.328 1.003 20 0 CDADMM CC[C@@H]1C[C@@H](C)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001590503896 1173441322 /nfs/dbraw/zinc/44/13/22/1173441322.db2.gz UEYSROKDJGBISD-RKDXNWHRSA-N -1 1 259.317 1.282 20 0 CDADMM CCO[C@@H]1C[C@H]1COC(=O)c1sccc1-c1nn[n-]n1 ZINC001590794895 1173514210 /nfs/dbraw/zinc/51/42/10/1173514210.db2.gz LBLJDYJFKNHXQT-IONNQARKSA-N -1 1 294.336 1.510 20 0 CDADMM CCOC1CC2(C[C@@H]2Nc2nccnc2-c2nnn[n-]2)C1 ZINC001590794864 1173514312 /nfs/dbraw/zinc/51/43/12/1173514312.db2.gz JHESBMDUWVMNMR-JVVWGOMOSA-N -1 1 287.327 1.026 20 0 CDADMM CCOC1CC2(C[C@@H]2Nc2nccnc2-c2nn[n-]n2)C1 ZINC001590794864 1173514313 /nfs/dbraw/zinc/51/43/13/1173514313.db2.gz JHESBMDUWVMNMR-JVVWGOMOSA-N -1 1 287.327 1.026 20 0 CDADMM CCO[C@@H]1CCC[C@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001590819825 1173522253 /nfs/dbraw/zinc/52/22/53/1173522253.db2.gz DXNQYUOAOZNFAR-PSASIEDQSA-N -1 1 275.316 1.026 20 0 CDADMM CCO[C@@H]1CCC[C@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001590819825 1173522259 /nfs/dbraw/zinc/52/22/59/1173522259.db2.gz DXNQYUOAOZNFAR-PSASIEDQSA-N -1 1 275.316 1.026 20 0 CDADMM CCO[C@H]1C[C@H](OC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590822576 1173525410 /nfs/dbraw/zinc/52/54/10/1173525410.db2.gz SPFNHMJIQFGBGR-KYZUINATSA-N -1 1 278.268 1.184 20 0 CDADMM CCO[C@H]1C[C@H](OC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590822576 1173525416 /nfs/dbraw/zinc/52/54/16/1173525416.db2.gz SPFNHMJIQFGBGR-KYZUINATSA-N -1 1 278.268 1.184 20 0 CDADMM CCc1ccc(CCNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001590888141 1173536948 /nfs/dbraw/zinc/53/69/48/1173536948.db2.gz ZQSYCMBXJDVYSK-UHFFFAOYSA-N -1 1 295.350 1.296 20 0 CDADMM CCc1nc(N[C@@H]2CC[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001590917776 1173542511 /nfs/dbraw/zinc/54/25/11/1173542511.db2.gz YEEIBVHDNKSENQ-DTWKUNHWSA-N -1 1 273.344 1.820 20 0 CDADMM CCc1nc(N[C@@H]2CC[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001590917776 1173542515 /nfs/dbraw/zinc/54/25/15/1173542515.db2.gz YEEIBVHDNKSENQ-DTWKUNHWSA-N -1 1 273.344 1.820 20 0 CDADMM CCc1nc(NCCc2ccoc2)cc(-c2nnn[n-]2)n1 ZINC001590922343 1173544265 /nfs/dbraw/zinc/54/42/65/1173544265.db2.gz MCCZOQICAKRLLZ-UHFFFAOYSA-N -1 1 285.311 1.467 20 0 CDADMM CCc1nc(NCCc2ccoc2)cc(-c2nn[n-]n2)n1 ZINC001590922343 1173544269 /nfs/dbraw/zinc/54/42/69/1173544269.db2.gz MCCZOQICAKRLLZ-UHFFFAOYSA-N -1 1 285.311 1.467 20 0 CDADMM CCc1nc(NCCc2cccnc2)cc(-c2nnn[n-]2)n1 ZINC001590922134 1173544337 /nfs/dbraw/zinc/54/43/37/1173544337.db2.gz DDKRFSZOQNESLG-UHFFFAOYSA-N -1 1 296.338 1.269 20 0 CDADMM CCc1nc(NCCc2cccnc2)cc(-c2nn[n-]n2)n1 ZINC001590922134 1173544343 /nfs/dbraw/zinc/54/43/43/1173544343.db2.gz DDKRFSZOQNESLG-UHFFFAOYSA-N -1 1 296.338 1.269 20 0 CDADMM CCc1nc(N[C@@H]2CC[C@H](OC)C2)cc(-c2nnn[n-]2)n1 ZINC001590917454 1173544963 /nfs/dbraw/zinc/54/49/63/1173544963.db2.gz QEBINURCJQROIT-BDAKNGLRSA-N -1 1 289.343 1.199 20 0 CDADMM CCc1nc(N[C@@H]2CC[C@H](OC)C2)cc(-c2nn[n-]n2)n1 ZINC001590917454 1173544968 /nfs/dbraw/zinc/54/49/68/1173544968.db2.gz QEBINURCJQROIT-BDAKNGLRSA-N -1 1 289.343 1.199 20 0 CDADMM CCn1cc(CN(C)c2cc(C)nc(-c3nnn[n-]3)c2)cn1 ZINC001590953338 1173549629 /nfs/dbraw/zinc/54/96/29/1173549629.db2.gz OOSSZXBKQLYWMM-UHFFFAOYSA-N -1 1 298.354 1.423 20 0 CDADMM CCn1cc(CN(C)c2cc(C)nc(-c3nn[n-]n3)c2)cn1 ZINC001590953338 1173549635 /nfs/dbraw/zinc/54/96/35/1173549635.db2.gz OOSSZXBKQLYWMM-UHFFFAOYSA-N -1 1 298.354 1.423 20 0 CDADMM CCn1nccc1-c1cc(C)nc(-c2nnn[n-]2)c1 ZINC001590969656 1173552689 /nfs/dbraw/zinc/55/26/89/1173552689.db2.gz ILCHGICUKRPKEL-UHFFFAOYSA-N -1 1 255.285 1.454 20 0 CDADMM CCn1nc(C)c(CNc2cncc(-c3nnn[n-]3)n2)c1C ZINC001590965982 1173552726 /nfs/dbraw/zinc/55/27/26/1173552726.db2.gz YYKREDJBVGHOIS-UHFFFAOYSA-N -1 1 299.342 1.102 20 0 CDADMM CCn1nc(C)c(CNc2cncc(-c3nn[n-]n3)n2)c1C ZINC001590965982 1173552732 /nfs/dbraw/zinc/55/27/32/1173552732.db2.gz YYKREDJBVGHOIS-UHFFFAOYSA-N -1 1 299.342 1.102 20 0 CDADMM CN(C(=O)c1cccc(F)c1-c1nnn[n-]1)C1CCC1 ZINC001590994611 1173557849 /nfs/dbraw/zinc/55/78/49/1173557849.db2.gz BCHBZBDHSOGRGN-UHFFFAOYSA-N -1 1 275.287 1.630 20 0 CDADMM CN(C)c1ccccc1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001591034597 1173563915 /nfs/dbraw/zinc/56/39/15/1173563915.db2.gz ASDSCZXLVLSYMB-UHFFFAOYSA-N -1 1 295.350 1.362 20 0 CDADMM CN(C)c1ccccc1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001591034597 1173563918 /nfs/dbraw/zinc/56/39/18/1173563918.db2.gz ASDSCZXLVLSYMB-UHFFFAOYSA-N -1 1 295.350 1.362 20 0 CDADMM CN(c1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H]1CCC[C@H]1O ZINC001591156641 1173586177 /nfs/dbraw/zinc/58/61/77/1173586177.db2.gz HKGXZCTWQSTMRE-RKDXNWHRSA-N -1 1 294.746 1.265 20 0 CDADMM CN(c1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H]1CCC[C@H]1O ZINC001591156641 1173586182 /nfs/dbraw/zinc/58/61/82/1173586182.db2.gz HKGXZCTWQSTMRE-RKDXNWHRSA-N -1 1 294.746 1.265 20 0 CDADMM COC(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001591274977 1173599095 /nfs/dbraw/zinc/59/90/95/1173599095.db2.gz GPJAKMHJWHOZMF-UHFFFAOYSA-N -1 1 269.211 1.001 20 0 CDADMM COC(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001591274977 1173599098 /nfs/dbraw/zinc/59/90/98/1173599098.db2.gz GPJAKMHJWHOZMF-UHFFFAOYSA-N -1 1 269.211 1.001 20 0 CDADMM COC(=O)c1ccc(Oc2ncncc2-c2nnn[n-]2)cc1 ZINC001591298444 1173599121 /nfs/dbraw/zinc/59/91/21/1173599121.db2.gz QDKMSOFJGABQEG-UHFFFAOYSA-N -1 1 298.262 1.236 20 0 CDADMM COC(=O)c1ccc(Oc2ncncc2-c2nn[n-]n2)cc1 ZINC001591298444 1173599128 /nfs/dbraw/zinc/59/91/28/1173599128.db2.gz QDKMSOFJGABQEG-UHFFFAOYSA-N -1 1 298.262 1.236 20 0 CDADMM CO[C@@H](C)Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001591323571 1173609394 /nfs/dbraw/zinc/60/93/94/1173609394.db2.gz AHTKMJYQIKXRBU-VIFPVBQESA-N -1 1 285.311 1.160 20 0 CDADMM CON(CC(C)(C)C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001591464557 1173655491 /nfs/dbraw/zinc/65/54/91/1173655491.db2.gz IYJIIAZXGWPELI-UHFFFAOYSA-N -1 1 290.327 1.311 20 0 CDADMM CON(CC(C)(C)C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001591464557 1173655494 /nfs/dbraw/zinc/65/54/94/1173655494.db2.gz IYJIIAZXGWPELI-UHFFFAOYSA-N -1 1 290.327 1.311 20 0 CDADMM Cc1c(F)cccc1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591822426 1173709033 /nfs/dbraw/zinc/70/90/33/1173709033.db2.gz NAWFZWZALFZXRN-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1c(F)cccc1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591822426 1173709037 /nfs/dbraw/zinc/70/90/37/1173709037.db2.gz NAWFZWZALFZXRN-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C)C[C@@H](C)[C@@H]2C)n1 ZINC001591884417 1173737627 /nfs/dbraw/zinc/73/76/27/1173737627.db2.gz ZMPLEKVLEXKIJL-KKZNHRDASA-N -1 1 287.371 1.836 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](C)C[C@@H](C)[C@@H]2C)n1 ZINC001591884417 1173737632 /nfs/dbraw/zinc/73/76/32/1173737632.db2.gz ZMPLEKVLEXKIJL-KKZNHRDASA-N -1 1 287.371 1.836 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](C)C3(CCC3)C2)n1 ZINC001591884797 1173738792 /nfs/dbraw/zinc/73/87/92/1173738792.db2.gz AGHFVCMGUKIPSE-SNVBAGLBSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](C)C3(CCC3)C2)n1 ZINC001591884797 1173738802 /nfs/dbraw/zinc/73/88/02/1173738802.db2.gz AGHFVCMGUKIPSE-SNVBAGLBSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](CO)CC(C)(C)C)n1 ZINC001591891861 1173741901 /nfs/dbraw/zinc/74/19/01/1173741901.db2.gz VQMWGRDYHKXYAZ-VIFPVBQESA-N -1 1 291.359 1.174 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](CO)CC(C)(C)C)n1 ZINC001591891861 1173741906 /nfs/dbraw/zinc/74/19/06/1173741906.db2.gz VQMWGRDYHKXYAZ-VIFPVBQESA-N -1 1 291.359 1.174 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC(C)(C)c2ncc[nH]2)n1 ZINC001591890460 1173742151 /nfs/dbraw/zinc/74/21/51/1173742151.db2.gz FZHBVRYJPFFVIK-UHFFFAOYSA-N -1 1 285.315 1.035 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC(C)(C)c2ncc[nH]2)n1 ZINC001591890460 1173742158 /nfs/dbraw/zinc/74/21/58/1173742158.db2.gz FZHBVRYJPFFVIK-UHFFFAOYSA-N -1 1 285.315 1.035 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)c2nccnc2C)n1 ZINC001591890896 1173742773 /nfs/dbraw/zinc/74/27/73/1173742773.db2.gz KTDPHRKUFVIMDJ-SECBINFHSA-N -1 1 297.326 1.237 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)c2nccnc2C)n1 ZINC001591890896 1173742779 /nfs/dbraw/zinc/74/27/79/1173742779.db2.gz KTDPHRKUFVIMDJ-SECBINFHSA-N -1 1 297.326 1.237 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(Nc2cncc(N(C)C)c2)n1 ZINC001591903713 1173744524 /nfs/dbraw/zinc/74/45/24/1173744524.db2.gz QKGMCNJNPOUALR-UHFFFAOYSA-N -1 1 297.326 1.170 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(Nc2cncc(N(C)C)c2)n1 ZINC001591903713 1173744527 /nfs/dbraw/zinc/74/45/27/1173744527.db2.gz QKGMCNJNPOUALR-UHFFFAOYSA-N -1 1 297.326 1.170 20 0 CDADMM Cc1cc(N2CCC[C@@H](CO)[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592005038 1173770948 /nfs/dbraw/zinc/77/09/48/1173770948.db2.gz GPZZYGPPECIWGD-QWRGUYRKSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(N2CCC[C@@H](CO)[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592005038 1173770950 /nfs/dbraw/zinc/77/09/50/1173770950.db2.gz GPZZYGPPECIWGD-QWRGUYRKSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)s1 ZINC001592132264 1173807304 /nfs/dbraw/zinc/80/73/04/1173807304.db2.gz DNOLXPZHAQAQAR-UHFFFAOYSA-N -1 1 289.324 1.222 20 0 CDADMM Cc1ccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)s1 ZINC001592132264 1173807306 /nfs/dbraw/zinc/80/73/06/1173807306.db2.gz DNOLXPZHAQAQAR-UHFFFAOYSA-N -1 1 289.324 1.222 20 0 CDADMM Cc1ccc(C)c(CN(C)c2nccnc2-c2nnn[n-]2)c1 ZINC001592140249 1173812875 /nfs/dbraw/zinc/81/28/75/1173812875.db2.gz CJKGTNYTHIFDIB-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccc(C)c(CN(C)c2nccnc2-c2nn[n-]n2)c1 ZINC001592140249 1173812879 /nfs/dbraw/zinc/81/28/79/1173812879.db2.gz CJKGTNYTHIFDIB-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccc(N2C[C@@H](C)C(O)[C@H](C)C2)nc1-c1nnn[n-]1 ZINC001592174513 1173823425 /nfs/dbraw/zinc/82/34/25/1173823425.db2.gz HVXTWGOIAFTTHE-NXEZZACHSA-N -1 1 288.355 1.023 20 0 CDADMM Cc1ccc(N2C[C@@H](C)C(O)[C@H](C)C2)nc1-c1nn[n-]n1 ZINC001592174513 1173823434 /nfs/dbraw/zinc/82/34/34/1173823434.db2.gz HVXTWGOIAFTTHE-NXEZZACHSA-N -1 1 288.355 1.023 20 0 CDADMM Cc1ccc(N2C[C@H](C)[C@](C)(CO)C2)c(-c2nnn[n-]2)n1 ZINC001592174384 1173823742 /nfs/dbraw/zinc/82/37/42/1173823742.db2.gz CGTFAHOHVFWHDH-XPTSAGLGSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(N2C[C@H](C)[C@](C)(CO)C2)c(-c2nn[n-]n2)n1 ZINC001592174384 1173823746 /nfs/dbraw/zinc/82/37/46/1173823746.db2.gz CGTFAHOHVFWHDH-XPTSAGLGSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(N[C@@H]2CCOC(C)(C)C2)c(-c2nnn[n-]2)n1 ZINC001592183236 1173828438 /nfs/dbraw/zinc/82/84/38/1173828438.db2.gz BEWUUUYXMMJFES-SNVBAGLBSA-N -1 1 288.355 1.940 20 0 CDADMM Cc1ccc(N[C@@H]2CCOC(C)(C)C2)c(-c2nn[n-]n2)n1 ZINC001592183236 1173828440 /nfs/dbraw/zinc/82/84/40/1173828440.db2.gz BEWUUUYXMMJFES-SNVBAGLBSA-N -1 1 288.355 1.940 20 0 CDADMM Cc1ccc(NCCc2ccccn2)nc1-c1nnn[n-]1 ZINC001592185717 1173831785 /nfs/dbraw/zinc/83/17/85/1173831785.db2.gz KIZFXJGIKNQVQT-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1ccc(NCCc2ccccn2)nc1-c1nn[n-]n1 ZINC001592185717 1173831790 /nfs/dbraw/zinc/83/17/90/1173831790.db2.gz KIZFXJGIKNQVQT-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1[nH]nc(NC(=O)CCC(C)(C)C)c1-c1nn[n-]n1 ZINC001592328896 1173855325 /nfs/dbraw/zinc/85/53/25/1173855325.db2.gz YZOLYZQUWPIVRE-UHFFFAOYSA-N -1 1 277.332 1.663 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[Si](C)(C)C)c1C ZINC001592339114 1173859089 /nfs/dbraw/zinc/85/90/89/1173859089.db2.gz DSXZIGSUEGRELZ-UHFFFAOYSA-N -1 1 250.382 1.557 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[Si](C)(C)C)c1C ZINC001592339114 1173859093 /nfs/dbraw/zinc/85/90/93/1173859093.db2.gz DSXZIGSUEGRELZ-UHFFFAOYSA-N -1 1 250.382 1.557 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(Cc2ccc3c(c2)COC3)c1C ZINC001592339329 1173860108 /nfs/dbraw/zinc/86/01/08/1173860108.db2.gz HPXCTWAGLVMBSB-UHFFFAOYSA-N -1 1 296.334 1.759 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2ccc3c(c2)COC3)c1C ZINC001592339329 1173860114 /nfs/dbraw/zinc/86/01/14/1173860114.db2.gz HPXCTWAGLVMBSB-UHFFFAOYSA-N -1 1 296.334 1.759 20 0 CDADMM Cc1nc(N[C@]23C[C@H]2CCCC3)cc(-c2nnn[n-]2)n1 ZINC001592380158 1173874427 /nfs/dbraw/zinc/87/44/27/1173874427.db2.gz DGDMHJSQQLRIQT-NOZJJQNGSA-N -1 1 271.328 1.710 20 0 CDADMM Cc1nc(N[C@]23C[C@H]2CCCC3)cc(-c2nn[n-]n2)n1 ZINC001592380158 1173874432 /nfs/dbraw/zinc/87/44/32/1173874432.db2.gz DGDMHJSQQLRIQT-NOZJJQNGSA-N -1 1 271.328 1.710 20 0 CDADMM Cc1nc(NCCSC(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001592391565 1173879264 /nfs/dbraw/zinc/87/92/64/1173879264.db2.gz OYVUQRWXEGFYOT-UHFFFAOYSA-N -1 1 293.400 1.909 20 0 CDADMM Cc1nc(NCCSC(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001592391565 1173879269 /nfs/dbraw/zinc/87/92/69/1173879269.db2.gz OYVUQRWXEGFYOT-UHFFFAOYSA-N -1 1 293.400 1.909 20 0 CDADMM Cc1ncsc1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001592426310 1173887822 /nfs/dbraw/zinc/88/78/22/1173887822.db2.gz VGGSJRBVXAQLNJ-UHFFFAOYSA-N -1 1 290.308 1.785 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@H]1CC1(F)F ZINC001592504029 1173907444 /nfs/dbraw/zinc/90/74/44/1173907444.db2.gz QMRPIDYWVDFTAV-ZCFIWIBFSA-N -1 1 284.222 1.580 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@H]1CC1(F)F ZINC001592504029 1173907450 /nfs/dbraw/zinc/90/74/50/1173907450.db2.gz QMRPIDYWVDFTAV-ZCFIWIBFSA-N -1 1 284.222 1.580 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC1CCOCC1 ZINC001592502958 1173908630 /nfs/dbraw/zinc/90/86/30/1173908630.db2.gz YTSHLPCEIQBGRT-UHFFFAOYSA-N -1 1 278.268 1.104 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC1CCOCC1 ZINC001592502958 1173908634 /nfs/dbraw/zinc/90/86/34/1173908634.db2.gz YTSHLPCEIQBGRT-UHFFFAOYSA-N -1 1 278.268 1.104 20 0 CDADMM Clc1ccc(NCc2cccnn2)nc1-c1nnn[n-]1 ZINC001592532226 1173913002 /nfs/dbraw/zinc/91/30/02/1173913002.db2.gz PUOZGTGPPXIDDY-UHFFFAOYSA-N -1 1 288.702 1.317 20 0 CDADMM Clc1ccc(NCc2cccnn2)nc1-c1nn[n-]n1 ZINC001592532226 1173913006 /nfs/dbraw/zinc/91/30/06/1173913006.db2.gz PUOZGTGPPXIDDY-UHFFFAOYSA-N -1 1 288.702 1.317 20 0 CDADMM Clc1ccc(CNc2ncncc2-c2nn[n-]n2)cn1 ZINC001592531773 1173913589 /nfs/dbraw/zinc/91/35/89/1173913589.db2.gz XMGGZBCMZRMKSC-UHFFFAOYSA-N -1 1 288.702 1.317 20 0 CDADMM FC(F)[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001592623232 1173932314 /nfs/dbraw/zinc/93/23/14/1173932314.db2.gz DGDZEMVCTINBKO-ZETCQYMHSA-N -1 1 271.296 1.768 20 0 CDADMM FC(F)[C@H]1CCCCN1Cc1ccnc(-c2nnn[n-]2)c1 ZINC001592625651 1173933235 /nfs/dbraw/zinc/93/32/35/1173933235.db2.gz ZEZGJHSJFRHDGM-LLVKDONJSA-N -1 1 294.309 1.881 20 0 CDADMM FC(F)[C@H]1CCCCN1Cc1ccnc(-c2nn[n-]n2)c1 ZINC001592625651 1173933245 /nfs/dbraw/zinc/93/32/45/1173933245.db2.gz ZEZGJHSJFRHDGM-LLVKDONJSA-N -1 1 294.309 1.881 20 0 CDADMM FC1(F)CC[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001592628569 1173935738 /nfs/dbraw/zinc/93/57/38/1173935738.db2.gz VAAXNCYZXRICDU-ZCFIWIBFSA-N -1 1 267.243 1.256 20 0 CDADMM FC1(F)CC[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001592628569 1173935744 /nfs/dbraw/zinc/93/57/44/1173935744.db2.gz VAAXNCYZXRICDU-ZCFIWIBFSA-N -1 1 267.243 1.256 20 0 CDADMM FC1(F)CC(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001592627641 1173936524 /nfs/dbraw/zinc/93/65/24/1173936524.db2.gz MBJBWOXAZKZDJB-UHFFFAOYSA-N -1 1 267.243 1.114 20 0 CDADMM FC1(F)CC(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001592627641 1173936527 /nfs/dbraw/zinc/93/65/27/1173936527.db2.gz MBJBWOXAZKZDJB-UHFFFAOYSA-N -1 1 267.243 1.114 20 0 CDADMM F[C@@H]1CCCC[C@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001592632896 1173945040 /nfs/dbraw/zinc/94/50/40/1173945040.db2.gz YKKZRAXVTGHCRU-HTQZYQBOSA-N -1 1 263.280 1.349 20 0 CDADMM F[C@@H]1CCCC[C@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001592632896 1173945044 /nfs/dbraw/zinc/94/50/44/1173945044.db2.gz YKKZRAXVTGHCRU-HTQZYQBOSA-N -1 1 263.280 1.349 20 0 CDADMM F[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC001592632923 1173945650 /nfs/dbraw/zinc/94/56/50/1173945650.db2.gz ZPMSDXZHJHTEQQ-SECBINFHSA-N -1 1 284.298 1.963 20 0 CDADMM F[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC001592632923 1173945656 /nfs/dbraw/zinc/94/56/56/1173945656.db2.gz ZPMSDXZHJHTEQQ-SECBINFHSA-N -1 1 284.298 1.963 20 0 CDADMM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(-c2nnn[n-]2)o1 ZINC001592983366 1174013286 /nfs/dbraw/zinc/01/32/86/1174013286.db2.gz SRWPLVNMNIGOGI-VGMNWLOBSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(-c2nn[n-]n2)o1 ZINC001592983366 1174013291 /nfs/dbraw/zinc/01/32/91/1174013291.db2.gz SRWPLVNMNIGOGI-VGMNWLOBSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(NC[C@@H]1CC=CCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593030883 1174015105 /nfs/dbraw/zinc/01/51/05/1174015105.db2.gz QWAMSMNGEBTLGY-SNVBAGLBSA-N -1 1 299.338 1.740 20 0 CDADMM O=C(NC[C@@H]1CC=CCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593030883 1174015111 /nfs/dbraw/zinc/01/51/11/1174015111.db2.gz QWAMSMNGEBTLGY-SNVBAGLBSA-N -1 1 299.338 1.740 20 0 CDADMM O=C(NCCC1CC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593062174 1174018222 /nfs/dbraw/zinc/01/82/22/1174018222.db2.gz XLFSJDRRNIDSPY-UHFFFAOYSA-N -1 1 273.300 1.183 20 0 CDADMM O=C(NCCC1CC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593062174 1174018225 /nfs/dbraw/zinc/01/82/25/1174018225.db2.gz XLFSJDRRNIDSPY-UHFFFAOYSA-N -1 1 273.300 1.183 20 0 CDADMM O=C(Nc1c[nH]nc1Cl)c1csc(-c2nn[n-]n2)c1 ZINC001593199229 1174033088 /nfs/dbraw/zinc/03/30/88/1174033088.db2.gz XSDRWXKWPJOFBV-UHFFFAOYSA-N -1 1 295.715 1.557 20 0 CDADMM O=C([O-])CCCCC[NH2+]Cc1csc(-c2nnn[n-]2)c1 ZINC001593278143 1174044855 /nfs/dbraw/zinc/04/48/55/1174044855.db2.gz SMLKQNRWTCGCSS-UHFFFAOYSA-N -1 1 295.368 1.663 20 0 CDADMM O=C(OCc1cncs1)c1coc(-c2nnn[n-]2)c1 ZINC001593303918 1174060439 /nfs/dbraw/zinc/06/04/39/1174060439.db2.gz RLRLRWLKCNFILR-UHFFFAOYSA-N -1 1 277.265 1.273 20 0 CDADMM O=C(OCc1cncs1)c1coc(-c2nn[n-]n2)c1 ZINC001593303918 1174060443 /nfs/dbraw/zinc/06/04/43/1174060443.db2.gz RLRLRWLKCNFILR-UHFFFAOYSA-N -1 1 277.265 1.273 20 0 CDADMM O=Cc1cccc(Oc2ccncc2-c2nn[n-]n2)c1 ZINC001593415842 1174077481 /nfs/dbraw/zinc/07/74/81/1174077481.db2.gz GZBRGFYNBFRROD-UHFFFAOYSA-N -1 1 267.248 1.867 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1ccc(F)c(F)c1 ZINC001593496758 1174091513 /nfs/dbraw/zinc/09/15/13/1174091513.db2.gz XDTDELQOZPDVTD-UHFFFAOYSA-N -1 1 289.245 1.355 20 0 CDADMM OCc1cccc(Sc2ncncc2-c2nnn[n-]2)c1 ZINC001593536105 1174108872 /nfs/dbraw/zinc/10/88/72/1174108872.db2.gz RIXLEVQZPYIQQA-UHFFFAOYSA-N -1 1 286.320 1.300 20 0 CDADMM OCc1cccc(Sc2ncncc2-c2nn[n-]n2)c1 ZINC001593536105 1174108875 /nfs/dbraw/zinc/10/88/75/1174108875.db2.gz RIXLEVQZPYIQQA-UHFFFAOYSA-N -1 1 286.320 1.300 20 0 CDADMM c1c(S[C@@H]2CCOC2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543102 1174111485 /nfs/dbraw/zinc/11/14/85/1174111485.db2.gz BMVSVHZWIDSYBP-MRVPVSSYSA-N -1 1 290.352 1.415 20 0 CDADMM c1c(S[C@@H]2CCOC2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543102 1174111486 /nfs/dbraw/zinc/11/14/86/1174111486.db2.gz BMVSVHZWIDSYBP-MRVPVSSYSA-N -1 1 290.352 1.415 20 0 CDADMM c1cc(N2CCC[C@@H]2C2CCCC2)nc(-c2nn[n-]n2)n1 ZINC001593559377 1174133753 /nfs/dbraw/zinc/13/37/53/1174133753.db2.gz NUBRBZWXPHJXGA-LLVKDONJSA-N -1 1 285.355 1.816 20 0 CDADMM c1c(Nc2cccc(-c3nnn[n-]3)n2)nn2c1CCCC2 ZINC001593561343 1174135758 /nfs/dbraw/zinc/13/57/58/1174135758.db2.gz PNNNLFKXOGNJRO-UHFFFAOYSA-N -1 1 282.311 1.538 20 0 CDADMM c1c(Nc2cccc(-c3nn[n-]n3)n2)nn2c1CCCC2 ZINC001593561343 1174135761 /nfs/dbraw/zinc/13/57/61/1174135761.db2.gz PNNNLFKXOGNJRO-UHFFFAOYSA-N -1 1 282.311 1.538 20 0 CDADMM c1ccc(-c2nnn(CC3CCC3)c2-c2nn[n-]n2)cc1 ZINC001593568056 1174142722 /nfs/dbraw/zinc/14/27/22/1174142722.db2.gz NIQZBIXWOPAFEP-UHFFFAOYSA-N -1 1 281.323 1.925 20 0 CDADMM c1cn(C[C@H]2CCC3(CCCC3)O2)c(-c2nnn[n-]2)n1 ZINC001593581986 1174148146 /nfs/dbraw/zinc/14/81/46/1174148146.db2.gz AJHJZDWHJCJFDN-SNVBAGLBSA-N -1 1 274.328 1.555 20 0 CDADMM c1cn(C[C@H]2CCC3(CCCC3)O2)c(-c2nn[n-]n2)n1 ZINC001593581986 1174148157 /nfs/dbraw/zinc/14/81/57/1174148157.db2.gz AJHJZDWHJCJFDN-SNVBAGLBSA-N -1 1 274.328 1.555 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCCCCC2CC2)n1 ZINC001593584909 1174152907 /nfs/dbraw/zinc/15/29/07/1174152907.db2.gz QTPBPXVOBGADRO-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCCCCC2CC2)n1 ZINC001593584909 1174152912 /nfs/dbraw/zinc/15/29/12/1174152912.db2.gz QTPBPXVOBGADRO-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CSc1ncccn1 ZINC001593587281 1174153882 /nfs/dbraw/zinc/15/38/82/1174153882.db2.gz FKDGIURLHXEROC-UHFFFAOYSA-N -1 1 260.282 1.542 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1CSc1ncccn1 ZINC001593587281 1174153886 /nfs/dbraw/zinc/15/38/86/1174153886.db2.gz FKDGIURLHXEROC-UHFFFAOYSA-N -1 1 260.282 1.542 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CCCC3(CC3)C2)n1 ZINC001593590455 1174157219 /nfs/dbraw/zinc/15/72/19/1174157219.db2.gz SZOYZPZUDDOAMJ-UHFFFAOYSA-N -1 1 257.301 1.037 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CCCC3(CC3)C2)n1 ZINC001593590455 1174157223 /nfs/dbraw/zinc/15/72/23/1174157223.db2.gz SZOYZPZUDDOAMJ-UHFFFAOYSA-N -1 1 257.301 1.037 20 0 CDADMM c1cc2c(s1)CCCN(c1ncncc1-c1nn[n-]n1)C2 ZINC001593592461 1174159068 /nfs/dbraw/zinc/15/90/68/1174159068.db2.gz XZFCOOBFZJXUJO-UHFFFAOYSA-N -1 1 299.363 1.671 20 0 CDADMM c1nc(NCC2(C3CC3)CCC2)cc(-c2nnn[n-]2)n1 ZINC001593590753 1174160515 /nfs/dbraw/zinc/16/05/15/1174160515.db2.gz DMVXOUZWORURQG-UHFFFAOYSA-N -1 1 271.328 1.649 20 0 CDADMM Cc1cc(C2CCN(c3cnc(C(=O)[O-])cn3)CC2)[nH]n1 ZINC001600183401 1174390482 /nfs/dbraw/zinc/39/04/82/1174390482.db2.gz BANHJKREEUZXGF-UHFFFAOYSA-N -1 1 287.323 1.590 20 0 CDADMM Cc1cc(CN2C[C@@H](O)C[C@H]2C(=O)[O-])cc2cccnc12 ZINC001600192767 1174397609 /nfs/dbraw/zinc/39/76/09/1174397609.db2.gz STPSOIMLURTONT-KBPBESRZSA-N -1 1 286.331 1.563 20 0 CDADMM Cc1cccc([C@@H](O)CNCc2ncc(C(=O)[O-])s2)c1 ZINC001600518548 1174495392 /nfs/dbraw/zinc/49/53/92/1174495392.db2.gz FONOCNCWRRPBOW-NSHDSACASA-N -1 1 292.360 1.973 20 0 CDADMM OCc1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000095234260 1174517503 /nfs/dbraw/zinc/51/75/03/1174517503.db2.gz GORNMAKEBIOFGL-UHFFFAOYSA-N -1 1 253.265 1.421 20 0 CDADMM OCc1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000095234260 1174517511 /nfs/dbraw/zinc/51/75/11/1174517511.db2.gz GORNMAKEBIOFGL-UHFFFAOYSA-N -1 1 253.265 1.421 20 0 CDADMM Cc1cnn([C@@H]2CCN(Cc3cc(C(=O)[O-])co3)C2)c1 ZINC001600637705 1174544408 /nfs/dbraw/zinc/54/44/08/1174544408.db2.gz VPJKJSNTJGVIAU-GFCCVEGCSA-N -1 1 275.308 1.930 20 0 CDADMM Cc1cnn([C@H]2CCN(Cc3ccc(C(=O)[O-])n3C)C2)c1 ZINC001600636317 1174544772 /nfs/dbraw/zinc/54/47/72/1174544772.db2.gz BAKGSVKLWMJPPQ-ZDUSSCGKSA-N -1 1 288.351 1.675 20 0 CDADMM Cc1nnc(CN2CC[C@@](C(=O)[O-])(c3ccccc3)C2)o1 ZINC001600795677 1174615584 /nfs/dbraw/zinc/61/55/84/1174615584.db2.gz 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604971935 /nfs/dbraw/zinc/97/19/35/604971935.db2.gz XFXIMRXWUMOFDS-UHFFFAOYSA-N -1 1 255.289 1.992 20 0 CDADMM O=C([O-])[C@H](O)C1CCN(C[C@H](O)c2cccc(F)c2)CC1 ZINC000833771162 604987373 /nfs/dbraw/zinc/98/73/73/604987373.db2.gz WVTMHSNTWBERCD-UONOGXRCSA-N -1 1 297.326 1.017 20 0 CDADMM CCC[C@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1)N(C)C ZINC000833647323 605036197 /nfs/dbraw/zinc/03/61/97/605036197.db2.gz BVOPJLMIOOZKBG-CYBMUJFWSA-N -1 1 294.351 1.819 20 0 CDADMM CC[C@H](C)[C@H](C)NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833637374 605048316 /nfs/dbraw/zinc/04/83/16/605048316.db2.gz DLDOFAOFVSXTMC-AVGNSLFASA-N -1 1 299.415 1.611 20 0 CDADMM CC(C)c1nc([C@@H](C)NC(=O)[C@@H](NC(=O)[O-])C(C)C)n[nH]1 ZINC000833511891 605071894 /nfs/dbraw/zinc/07/18/94/605071894.db2.gz DQBPUTNIFOZRIT-BDAKNGLRSA-N -1 1 297.359 1.398 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1C[C@H]1C1CC1 ZINC000833625630 605115294 /nfs/dbraw/zinc/11/52/94/605115294.db2.gz WXTPGWQLAOEDDS-WXHSDQCUSA-N -1 1 280.368 1.040 20 0 CDADMM C[C@H]1CN(C(=O)[C@H]2CCC(C)(C)C2)CCN1CCC(=O)[O-] ZINC000833617951 605129730 /nfs/dbraw/zinc/12/97/30/605129730.db2.gz JCVRJMNSUALBCP-STQMWFEESA-N -1 1 296.411 1.820 20 0 CDADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N[C@@H]1CCOC1 ZINC000826523775 607736837 /nfs/dbraw/zinc/73/68/37/607736837.db2.gz XJQQRRMNYOAVDE-SECBINFHSA-N -1 1 282.307 1.616 20 0 CDADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N[C@@H]1CCOC1 ZINC000826523775 607736838 /nfs/dbraw/zinc/73/68/38/607736838.db2.gz XJQQRRMNYOAVDE-SECBINFHSA-N -1 1 282.307 1.616 20 0 CDADMM CC[C@@H]1CC[C@@H](C)N1c1ccc(-c2nnn[n-]2)nn1 ZINC000825195295 608237176 /nfs/dbraw/zinc/23/71/76/608237176.db2.gz VUPZGXCZJWJIPQ-RKDXNWHRSA-N -1 1 259.317 1.424 20 0 CDADMM CC[C@@H]1CC[C@@H](C)N1c1ccc(-c2nn[n-]n2)nn1 ZINC000825195295 608237177 /nfs/dbraw/zinc/23/71/77/608237177.db2.gz VUPZGXCZJWJIPQ-RKDXNWHRSA-N -1 1 259.317 1.424 20 0 CDADMM CC[C@H](C)[C@H](NC(=O)CN1CC[C@@H](C)[C@@H](C)C1)C(=O)[O-] ZINC000833639967 605212947 /nfs/dbraw/zinc/21/29/47/605212947.db2.gz SCNCWTYZIBPQFS-OPDFLTKYSA-N -1 1 284.400 1.580 20 0 CDADMM C[C@@]1(C(=O)[O-])CCN(Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000833554844 605266892 /nfs/dbraw/zinc/26/68/92/605266892.db2.gz MKBPZNGSUMTQTC-OAHLLOKOSA-N -1 1 290.367 1.787 20 0 CDADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCCC[C@@H]2C2OCCO2)O1 ZINC000833586584 605329206 /nfs/dbraw/zinc/32/92/06/605329206.db2.gz YWIZEHZMMHWCCP-WCQYABFASA-N -1 1 297.351 1.361 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CN2CCOC(C)(C)[C@H]2C)O1 ZINC000833577643 605355019 /nfs/dbraw/zinc/35/50/19/605355019.db2.gz FABGXIGNLZEFTP-GHMZBOCLSA-N -1 1 269.341 1.633 20 0 CDADMM Cc1cc(C[C@@H](C)NC(=O)[C@H](NC(=O)[O-])C(C)C)n[nH]1 ZINC000830029435 605434911 /nfs/dbraw/zinc/43/49/11/605434911.db2.gz GPYLISSBQJZIHX-LDYMZIIASA-N -1 1 282.344 1.058 20 0 CDADMM Cc1cc(C[C@H](C)NC(=O)[C@H](NC(=O)[O-])C(C)C)n[nH]1 ZINC000830029432 605434928 /nfs/dbraw/zinc/43/49/28/605434928.db2.gz GPYLISSBQJZIHX-GZMMTYOYSA-N -1 1 282.344 1.058 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2)[C@@H](C)CN1C ZINC000833620787 605530200 /nfs/dbraw/zinc/53/02/00/605530200.db2.gz HJEYYXYCPSOGIU-MNOVXSKESA-N -1 1 291.351 1.941 20 0 CDADMM Cc1cc(CNC(=O)CC(C)(C)CC(=O)[O-])n[nH]1 ZINC000716813258 605708307 /nfs/dbraw/zinc/70/83/07/605708307.db2.gz YQUJISPQDSWFBF-UHFFFAOYSA-N -1 1 253.302 1.225 20 0 CDADMM Cc1ccnc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822374259 606495806 /nfs/dbraw/zinc/49/58/06/606495806.db2.gz OAHFKNHQUQAXTR-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM Cc1ccnc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822374259 606495808 /nfs/dbraw/zinc/49/58/08/606495808.db2.gz OAHFKNHQUQAXTR-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM COCC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821685416 606544500 /nfs/dbraw/zinc/54/45/00/606544500.db2.gz CLMWGPKNAUTDCT-ZETCQYMHSA-N -1 1 281.341 1.083 20 0 CDADMM COCC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821685416 606544502 /nfs/dbraw/zinc/54/45/02/606544502.db2.gz CLMWGPKNAUTDCT-ZETCQYMHSA-N -1 1 281.341 1.083 20 0 CDADMM CC1CC(NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820659494 606546981 /nfs/dbraw/zinc/54/69/81/606546981.db2.gz YDNWYKUNEHAYAR-UHFFFAOYSA-N -1 1 263.326 1.457 20 0 CDADMM CC1CC(NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820659494 606546983 /nfs/dbraw/zinc/54/69/83/606546983.db2.gz YDNWYKUNEHAYAR-UHFFFAOYSA-N -1 1 263.326 1.457 20 0 CDADMM CSCCCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821960852 606567009 /nfs/dbraw/zinc/56/70/09/606567009.db2.gz DTVLUQLUQZTEBU-UHFFFAOYSA-N -1 1 297.409 1.801 20 0 CDADMM CSCCCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821960852 606567011 /nfs/dbraw/zinc/56/70/11/606567011.db2.gz DTVLUQLUQZTEBU-UHFFFAOYSA-N -1 1 297.409 1.801 20 0 CDADMM C[C@H]1CSCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820813826 606569234 /nfs/dbraw/zinc/56/92/34/606569234.db2.gz NMPVHUUXIGSMDE-ZETCQYMHSA-N -1 1 295.393 1.506 20 0 CDADMM C[C@H]1CSCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820813826 606569235 /nfs/dbraw/zinc/56/92/35/606569235.db2.gz NMPVHUUXIGSMDE-ZETCQYMHSA-N -1 1 295.393 1.506 20 0 CDADMM c1cn(Cc2coc(-c3ccccc3)n2)c(-c2nnn[n-]2)n1 ZINC000823766356 606655273 /nfs/dbraw/zinc/65/52/73/606655273.db2.gz AWOKOPJPSRTYAL-UHFFFAOYSA-N -1 1 293.290 1.767 20 0 CDADMM c1cn(Cc2coc(-c3ccccc3)n2)c(-c2nn[n-]n2)n1 ZINC000823766356 606655274 /nfs/dbraw/zinc/65/52/74/606655274.db2.gz AWOKOPJPSRTYAL-UHFFFAOYSA-N -1 1 293.290 1.767 20 0 CDADMM CC(C)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820037316 606688567 /nfs/dbraw/zinc/68/85/67/606688567.db2.gz CEACICJCSHPZFB-NSHDSACASA-N -1 1 286.339 1.380 20 0 CDADMM CC(C)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820037316 606688568 /nfs/dbraw/zinc/68/85/68/606688568.db2.gz CEACICJCSHPZFB-NSHDSACASA-N -1 1 286.339 1.380 20 0 CDADMM CC[C@H](CCO)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820902300 606724560 /nfs/dbraw/zinc/72/45/60/606724560.db2.gz JJFULDINWSLDSU-MRVPVSSYSA-N -1 1 296.762 1.736 20 0 CDADMM CC[C@H](CCO)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820902300 606724561 /nfs/dbraw/zinc/72/45/61/606724561.db2.gz JJFULDINWSLDSU-MRVPVSSYSA-N -1 1 296.762 1.736 20 0 CDADMM CCc1cc(NCc2ccc(-c3nn[n-]n3)s2)n(C)n1 ZINC000821470108 606917788 /nfs/dbraw/zinc/91/77/88/606917788.db2.gz MABJBFCNDGSDKB-UHFFFAOYSA-N -1 1 289.368 1.836 20 0 CDADMM C[C@@]1(CNc2nccnc2-c2nnn[n-]2)CCCS1 ZINC000820623157 606946440 /nfs/dbraw/zinc/94/64/40/606946440.db2.gz GTXWWSDEUIKCFU-NSHDSACASA-N -1 1 277.357 1.354 20 0 CDADMM C[C@@]1(CNc2nccnc2-c2nn[n-]n2)CCCS1 ZINC000820623157 606946442 /nfs/dbraw/zinc/94/64/42/606946442.db2.gz GTXWWSDEUIKCFU-NSHDSACASA-N -1 1 277.357 1.354 20 0 CDADMM FC(F)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000822729150 607040489 /nfs/dbraw/zinc/04/04/89/607040489.db2.gz USRONCZMJFACAM-UHFFFAOYSA-N -1 1 281.270 1.138 20 0 CDADMM FC(F)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000822729150 607040490 /nfs/dbraw/zinc/04/04/90/607040490.db2.gz USRONCZMJFACAM-UHFFFAOYSA-N -1 1 281.270 1.138 20 0 CDADMM C[C@H]1OCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)[C@H]1C ZINC000820821412 607066431 /nfs/dbraw/zinc/06/64/31/607066431.db2.gz SSZHFEAEYNVRGH-JGVFFNPUSA-N -1 1 293.352 1.178 20 0 CDADMM C[C@H]1OCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)[C@H]1C ZINC000820821412 607066434 /nfs/dbraw/zinc/06/64/34/607066434.db2.gz SSZHFEAEYNVRGH-JGVFFNPUSA-N -1 1 293.352 1.178 20 0 CDADMM CC[C@H](CCOC)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825114130 607836707 /nfs/dbraw/zinc/83/67/07/607836707.db2.gz JXJGLFYUJVQGPA-MRVPVSSYSA-N -1 1 296.352 1.900 20 0 CDADMM CC[C@H](CCOC)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825114130 607836708 /nfs/dbraw/zinc/83/67/08/607836708.db2.gz JXJGLFYUJVQGPA-MRVPVSSYSA-N -1 1 296.352 1.900 20 0 CDADMM CSCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000826229156 607895001 /nfs/dbraw/zinc/89/50/01/607895001.db2.gz ROESPRIAVFSKHT-UHFFFAOYSA-N -1 1 276.778 1.752 20 0 CDADMM CSCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000826229156 607895002 /nfs/dbraw/zinc/89/50/02/607895002.db2.gz ROESPRIAVFSKHT-UHFFFAOYSA-N -1 1 276.778 1.752 20 0 CDADMM CC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825202936 607988838 /nfs/dbraw/zinc/98/88/38/607988838.db2.gz LODDFTFCXHIGGP-SECBINFHSA-N -1 1 259.317 1.283 20 0 CDADMM CC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000825202936 607988839 /nfs/dbraw/zinc/98/88/39/607988839.db2.gz LODDFTFCXHIGGP-SECBINFHSA-N -1 1 259.317 1.283 20 0 CDADMM Cc1ccc(C(=O)Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000826281156 608012809 /nfs/dbraw/zinc/01/28/09/608012809.db2.gz GWXTUVYKGNBJGC-UHFFFAOYSA-N -1 1 268.280 1.255 20 0 CDADMM Cc1ccc(C(=O)Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000826281156 608012810 /nfs/dbraw/zinc/01/28/10/608012810.db2.gz GWXTUVYKGNBJGC-UHFFFAOYSA-N -1 1 268.280 1.255 20 0 CDADMM COc1cccc(CCCn2ccnc2-c2nnn[n-]2)c1 ZINC000826215916 608014177 /nfs/dbraw/zinc/01/41/77/608014177.db2.gz CCVGHNQJAKYBAK-UHFFFAOYSA-N -1 1 284.323 1.705 20 0 CDADMM COc1cccc(CCCn2ccnc2-c2nn[n-]n2)c1 ZINC000826215916 608014178 /nfs/dbraw/zinc/01/41/78/608014178.db2.gz CCVGHNQJAKYBAK-UHFFFAOYSA-N -1 1 284.323 1.705 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CNc1cnn(CC2CC2)c1 ZINC000826526613 608055944 /nfs/dbraw/zinc/05/59/44/608055944.db2.gz FIISYWRAMIHHPE-UHFFFAOYSA-N -1 1 285.311 1.678 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1CNc1cnn(CC2CC2)c1 ZINC000826526613 608055945 /nfs/dbraw/zinc/05/59/45/608055945.db2.gz FIISYWRAMIHHPE-UHFFFAOYSA-N -1 1 285.311 1.678 20 0 CDADMM CCC1(O)CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825176313 608239283 /nfs/dbraw/zinc/23/92/83/608239283.db2.gz OQDPAFZPGKWRKS-UHFFFAOYSA-N -1 1 289.343 1.152 20 0 CDADMM CCC1(O)CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825176313 608239285 /nfs/dbraw/zinc/23/92/85/608239285.db2.gz OQDPAFZPGKWRKS-UHFFFAOYSA-N -1 1 289.343 1.152 20 0 CDADMM C[C@H]1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824927842 608403042 /nfs/dbraw/zinc/40/30/42/608403042.db2.gz QREBBPJUCWPRDO-UWVGGRQHSA-N -1 1 273.344 1.895 20 0 CDADMM C[C@H]1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824927842 608403044 /nfs/dbraw/zinc/40/30/44/608403044.db2.gz QREBBPJUCWPRDO-UWVGGRQHSA-N -1 1 273.344 1.895 20 0 CDADMM CC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1nccs1 ZINC000825148778 608421769 /nfs/dbraw/zinc/42/17/69/608421769.db2.gz UFJNIURONBJXJN-SSDOTTSWSA-N -1 1 288.340 1.676 20 0 CDADMM CC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1nccs1 ZINC000825148778 608421771 /nfs/dbraw/zinc/42/17/71/608421771.db2.gz UFJNIURONBJXJN-SSDOTTSWSA-N -1 1 288.340 1.676 20 0 CDADMM Fc1cccc2c1CCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC000826377729 608439193 /nfs/dbraw/zinc/43/91/93/608439193.db2.gz DBRQYBAOFWZPAM-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM Fc1cccc2c1CCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC000826377729 608439194 /nfs/dbraw/zinc/43/91/94/608439194.db2.gz DBRQYBAOFWZPAM-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM Cc1ccc(CCn2cccc(-c3nn[n-]n3)c2=O)cc1 ZINC000826287578 608475647 /nfs/dbraw/zinc/47/56/47/608475647.db2.gz UQGJZPSCVDQXKH-UHFFFAOYSA-N -1 1 281.319 1.580 20 0 CDADMM c1cc(CNc2ccc3c(c2)COC3)cc(-c2nnn[n-]2)n1 ZINC000826516632 608543373 /nfs/dbraw/zinc/54/33/73/608543373.db2.gz UBUKWKXGIUHKQD-UHFFFAOYSA-N -1 1 294.318 1.904 20 0 CDADMM c1cc(CNc2ccc3c(c2)COC3)cc(-c2nn[n-]n2)n1 ZINC000826516632 608543374 /nfs/dbraw/zinc/54/33/74/608543374.db2.gz UBUKWKXGIUHKQD-UHFFFAOYSA-N -1 1 294.318 1.904 20 0 CDADMM CN(Cc1cscn1)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825992425 608636184 /nfs/dbraw/zinc/63/61/84/608636184.db2.gz WNLKDUHJLKAPKQ-UHFFFAOYSA-N -1 1 276.325 1.548 20 0 CDADMM CN(Cc1cscn1)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825992425 608636186 /nfs/dbraw/zinc/63/61/86/608636186.db2.gz WNLKDUHJLKAPKQ-UHFFFAOYSA-N -1 1 276.325 1.548 20 0 CDADMM Cc1cccc(CCCn2cnc(-c3nn[n-]n3)n2)c1 ZINC000826297494 609308001 /nfs/dbraw/zinc/30/80/01/609308001.db2.gz KAAWQQGEYYRPSE-UHFFFAOYSA-N -1 1 269.312 1.399 20 0 CDADMM CC1(C)C[C@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)O1 ZINC000824796904 609318991 /nfs/dbraw/zinc/31/89/91/609318991.db2.gz UMCAKAGIWPDSLT-QMMMGPOBSA-N -1 1 289.343 1.415 20 0 CDADMM CC1(C)C[C@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)O1 ZINC000824796904 609318994 /nfs/dbraw/zinc/31/89/94/609318994.db2.gz UMCAKAGIWPDSLT-QMMMGPOBSA-N -1 1 289.343 1.415 20 0 CDADMM C[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C[C@@H]1F ZINC000824962359 609319199 /nfs/dbraw/zinc/31/91/99/609319199.db2.gz UBEDRXNGVPMWBA-IUCAKERBSA-N -1 1 262.292 1.446 20 0 CDADMM C[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C[C@@H]1F ZINC000824962359 609319200 /nfs/dbraw/zinc/31/92/00/609319200.db2.gz UBEDRXNGVPMWBA-IUCAKERBSA-N -1 1 262.292 1.446 20 0 CDADMM c1cc2c(c(NCc3ccnc(-c4nnn[n-]4)c3)c1)OCO2 ZINC000826517126 609444824 /nfs/dbraw/zinc/44/48/24/609444824.db2.gz RQPABNKGMBSCEX-UHFFFAOYSA-N -1 1 296.290 1.603 20 0 CDADMM c1cc2c(c(NCc3ccnc(-c4nn[n-]n4)c3)c1)OCO2 ZINC000826517126 609444826 /nfs/dbraw/zinc/44/48/26/609444826.db2.gz RQPABNKGMBSCEX-UHFFFAOYSA-N -1 1 296.290 1.603 20 0 CDADMM C[C@H]1C[C@@H](CCNc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000824885375 609596357 /nfs/dbraw/zinc/59/63/57/609596357.db2.gz SITOBFVWJHYETA-QWRGUYRKSA-N -1 1 288.355 1.879 20 0 CDADMM C[C@H]1C[C@@H](CCNc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000824885375 609596360 /nfs/dbraw/zinc/59/63/60/609596360.db2.gz SITOBFVWJHYETA-QWRGUYRKSA-N -1 1 288.355 1.879 20 0 CDADMM CSc1cc(C)ccc1[N-]C(=O)c1nnn(C)n1 ZINC000891599107 617500191 /nfs/dbraw/zinc/50/01/91/617500191.db2.gz SMXHMCBMUWVJBX-UHFFFAOYSA-N -1 1 263.326 1.493 20 0 CDADMM O=C(C=C[C@H]1CCOC1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891615866 617504916 /nfs/dbraw/zinc/50/49/16/617504916.db2.gz VYAVNWUQJHCDKP-PORFMDCZSA-N -1 1 289.335 1.592 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@@H]1C[C@@]12CCOC2 ZINC000891618902 617507301 /nfs/dbraw/zinc/50/73/01/617507301.db2.gz UOAKZIJMYBAAIO-ZUZCIYMTSA-N -1 1 289.335 1.426 20 0 CDADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)C1(n2cccn2)CC1 ZINC000892153280 617510224 /nfs/dbraw/zinc/51/02/24/617510224.db2.gz NPDHKHVVXXCXDJ-UHFFFAOYSA-N -1 1 286.217 1.148 20 0 CDADMM COCc1nc(N[C@H](C)c2nnc3n2CCC3)cc(=O)[n-]1 ZINC000891678671 617534792 /nfs/dbraw/zinc/53/47/92/617534792.db2.gz MBLXUMDWJOBQCF-MRVPVSSYSA-N -1 1 290.327 1.039 20 0 CDADMM COCc1nc(NC[C@@](C)(O)c2cccs2)cc(=O)[n-]1 ZINC000892640430 617554528 /nfs/dbraw/zinc/55/45/28/617554528.db2.gz KLSLYRYMWARRKM-CYBMUJFWSA-N -1 1 295.364 1.710 20 0 CDADMM CC[C@H](C(=O)N(C)c1nn[n-]n1)c1ccc(F)cc1 ZINC000892954886 617978335 /nfs/dbraw/zinc/97/83/35/617978335.db2.gz UPPBKKQWARFEGY-JTQLQIEISA-N -1 1 263.276 1.495 20 0 CDADMM COCc1nc(N2CCCSCC2)cc(=O)[n-]1 ZINC000891863363 617681606 /nfs/dbraw/zinc/68/16/06/617681606.db2.gz DKGJZORXYNPJFY-UHFFFAOYSA-N -1 1 255.343 1.272 20 0 CDADMM CC(C)OC(=O)c1cc(NC(=O)[C@@H](F)C(C)C)n[nH]1 ZINC000888119055 620750630 /nfs/dbraw/zinc/75/06/30/620750630.db2.gz RDADUAWIGNKZER-JTQLQIEISA-N -1 1 271.292 1.908 20 0 CDADMM CC[C@]1(C)CN(c2cc(=O)[n-]c(COC)n2)CCO1 ZINC000893393621 617785736 /nfs/dbraw/zinc/78/57/36/617785736.db2.gz AJXIKBLMAJQLFE-CYBMUJFWSA-N -1 1 267.329 1.334 20 0 CDADMM CC[S@](C)(=O)=NC([O-])=C1C[C@@H](c2ccccc2)OC1=O ZINC000925820867 617786090 /nfs/dbraw/zinc/78/60/90/617786090.db2.gz MWBYPVVYHTVSEH-PVUDRZGPSA-N -1 1 295.360 1.935 20 0 CDADMM C[C@@H]1SCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000867456050 617786596 /nfs/dbraw/zinc/78/65/96/617786596.db2.gz ZQXSHBWVNVBSRM-BQBZGAKWSA-N -1 1 294.348 1.532 20 0 CDADMM C[C@@H](CSCc1ccccc1)C(=O)N(C)c1nn[n-]n1 ZINC000892954197 617974364 /nfs/dbraw/zinc/97/43/64/617974364.db2.gz FNDUJXTWRVUZIJ-JTQLQIEISA-N -1 1 291.380 1.732 20 0 CDADMM COc1ccc([C@@H](NCc2cncn2C)C(=O)[O-])cc1F ZINC000901862463 618303196 /nfs/dbraw/zinc/30/31/96/618303196.db2.gz XNSPVVYCFHCMMZ-CYBMUJFWSA-N -1 1 293.298 1.483 20 0 CDADMM CCc1nc(CNc2cc(=O)[n-]c(COC)n2)co1 ZINC000894098698 618399322 /nfs/dbraw/zinc/39/93/22/618399322.db2.gz YQAACENAFGKXGF-UHFFFAOYSA-N -1 1 264.285 1.491 20 0 CDADMM COc1ncncc1CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000901992415 618432688 /nfs/dbraw/zinc/43/26/88/618432688.db2.gz JATZHSQUVVUYQA-VIFPVBQESA-N -1 1 265.313 1.170 20 0 CDADMM COc1nccnc1CN1CCCC[C@H]1CCC(=O)[O-] ZINC000901997076 618440039 /nfs/dbraw/zinc/44/00/39/618440039.db2.gz LVLFBAQXCHSLCB-NSHDSACASA-N -1 1 279.340 1.705 20 0 CDADMM O=C([O-])CC1(NC(=O)c2cccc3nc[nH]c32)CCC1 ZINC000902004301 618479168 /nfs/dbraw/zinc/47/91/68/618479168.db2.gz IUJNBHQETUCBPH-UHFFFAOYSA-N -1 1 273.292 1.690 20 0 CDADMM C[C@H](CO)CSc1snc(Cl)c1-c1nnn[n-]1 ZINC000824441784 618571557 /nfs/dbraw/zinc/57/15/57/618571557.db2.gz SGDRVQNSWWYMBD-SCSAIBSYSA-N -1 1 291.789 1.697 20 0 CDADMM C[C@H](CO)CSc1snc(Cl)c1-c1nn[n-]n1 ZINC000824441784 618571560 /nfs/dbraw/zinc/57/15/60/618571560.db2.gz SGDRVQNSWWYMBD-SCSAIBSYSA-N -1 1 291.789 1.697 20 0 CDADMM CC(C)[C@@]1(C)CC(=O)N(CN2CC[C@@](C)(C(=O)[O-])C2)C1=O ZINC000826722150 618609024 /nfs/dbraw/zinc/60/90/24/618609024.db2.gz FMNFRFKLSJBTPK-HUUCEWRRSA-N -1 1 296.367 1.162 20 0 CDADMM C[C@@H]1CCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000828285610 618617793 /nfs/dbraw/zinc/61/77/93/618617793.db2.gz NMDVDZARAPQSFV-KOLCDFICSA-N -1 1 294.376 1.893 20 0 CDADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@@H]3CCC[C@H]23)co1 ZINC000889598944 618643349 /nfs/dbraw/zinc/64/33/49/618643349.db2.gz GBHXZCIJCLWWBW-INTQDDNPSA-N -1 1 298.364 1.106 20 0 CDADMM CC(C)(C)CCCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000909415812 619127684 /nfs/dbraw/zinc/12/76/84/619127684.db2.gz XFFAYRFNJAJHTO-GFCCVEGCSA-N -1 1 284.400 1.726 20 0 CDADMM COc1cccc([O-])c1C(=O)Nc1nc2n(n1)CCCC2 ZINC000909443839 619285945 /nfs/dbraw/zinc/28/59/45/619285945.db2.gz UASSFLVJWNYUOD-UHFFFAOYSA-N -1 1 288.307 1.581 20 0 CDADMM C[C@@H](Cc1ccc(NC(=O)CN2CCCC2)cc1)C(=O)[O-] ZINC000909520723 619629822 /nfs/dbraw/zinc/62/98/22/619629822.db2.gz SOKRMOYGMNIDLK-LBPRGKRZSA-N -1 1 290.363 1.984 20 0 CDADMM CN(CCc1ccccc1)CC(=O)[N-]OCc1ccccn1 ZINC000909546083 620280036 /nfs/dbraw/zinc/28/00/36/620280036.db2.gz IAYGXTFKTORQKL-UHFFFAOYSA-N -1 1 299.374 1.804 20 0 CDADMM O=C([O-])[C@@H]1CN(C(=O)CN2CCCC2)c2ccccc21 ZINC000909579286 620454339 /nfs/dbraw/zinc/45/43/39/620454339.db2.gz BVHSMYALVWPCTF-GFCCVEGCSA-N -1 1 274.320 1.297 20 0 CDADMM CC1(C)CCC[C@H]1NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000909581747 620458594 /nfs/dbraw/zinc/45/85/94/620458594.db2.gz BTKPDANJIZSHKE-VXGBXAGGSA-N -1 1 282.384 1.478 20 0 CDADMM CCN(C(=O)N[C@@H]1CCCc2cn[nH]c21)C(C)(C)C(=O)[O-] ZINC000929009008 620851366 /nfs/dbraw/zinc/85/13/66/620851366.db2.gz BYZRSFBVHSHWJI-SNVBAGLBSA-N -1 1 294.355 1.682 20 0 CDADMM CN(C)c1ccnc(CNC(=O)[C@@]2(C(=O)[O-])CC2(C)C)c1 ZINC000902814424 625468532 /nfs/dbraw/zinc/46/85/32/625468532.db2.gz OPCJVEDXDYSZIC-OAHLLOKOSA-N -1 1 291.351 1.265 20 0 CDADMM CCCC1(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000909677537 621535059 /nfs/dbraw/zinc/53/50/59/621535059.db2.gz FVMOJKLGVYLCKO-GFCCVEGCSA-N -1 1 282.384 1.480 20 0 CDADMM CC(C)[C@H]1CC[C@H](C(=O)NCc2nc([O-])cc(=O)[nH]2)CC1 ZINC000898756765 621860807 /nfs/dbraw/zinc/86/08/07/621860807.db2.gz LOHTZBQHDHMJGW-XYPYZODXSA-N -1 1 293.367 1.966 20 0 CDADMM CC[C@@H]1CCC[C@@H]1C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898754026 621865187 /nfs/dbraw/zinc/86/51/87/621865187.db2.gz DGYJRKTUIONPGZ-BDAKNGLRSA-N -1 1 265.313 1.330 20 0 CDADMM Cc1cccc(CO[N-]C(=O)CCC(=O)c2ccccn2)n1 ZINC000898932407 621971112 /nfs/dbraw/zinc/97/11/12/621971112.db2.gz LTIPYXIKRSBOPV-UHFFFAOYSA-N -1 1 299.330 1.996 20 0 CDADMM O=C(NCCc1ccco1)c1cnc(C2CC2)[n-]c1=O ZINC000899971374 622585762 /nfs/dbraw/zinc/58/57/62/622585762.db2.gz ANKGQNPFJGBOHL-UHFFFAOYSA-N -1 1 273.292 1.625 20 0 CDADMM CCO[C@@H]1C[C@](NCc2cn(CC)nn2)(C(=O)[O-])C1(C)C ZINC000900036268 622663020 /nfs/dbraw/zinc/66/30/20/622663020.db2.gz XDXLDEVLCLOIJQ-RISCZKNCSA-N -1 1 296.371 1.046 20 0 CDADMM C[C@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)[C@@H](C)CO1 ZINC000900136619 622727435 /nfs/dbraw/zinc/72/74/35/622727435.db2.gz PIXJWAQOIKNNIW-IUCAKERBSA-N -1 1 277.324 1.309 20 0 CDADMM C[C@@H](O)C[C@@H](C)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900800518 623552085 /nfs/dbraw/zinc/55/20/85/623552085.db2.gz NPXAKCYBYHNGAR-RKDXNWHRSA-N -1 1 279.340 1.196 20 0 CDADMM CCC[C@@H](NC(=O)[C@@H]1CCN1C(C)(C)C)c1nnn[n-]1 ZINC000900983008 623750773 /nfs/dbraw/zinc/75/07/73/623750773.db2.gz HRUKEHDGCOAMML-ZJUUUORDSA-N -1 1 280.376 1.030 20 0 CDADMM C[C@H](C[C@H]1CCOC1)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901049611 623844813 /nfs/dbraw/zinc/84/48/13/623844813.db2.gz XTEZSOWIOAEVKW-NXEZZACHSA-N -1 1 291.351 1.605 20 0 CDADMM CC(C)C[C@H](O)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901076663 623857574 /nfs/dbraw/zinc/85/75/74/623857574.db2.gz OQHNXBROQGKFFS-JTQLQIEISA-N -1 1 279.340 1.196 20 0 CDADMM Cc1c(CNC(=O)c2cnc(C3CC3)[n-]c2=O)cnn1C ZINC000901231730 624020994 /nfs/dbraw/zinc/02/09/94/624020994.db2.gz XGYMWURGGBVTEY-UHFFFAOYSA-N -1 1 287.323 1.032 20 0 CDADMM C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N(C)CCCC(=O)[O-])C1 ZINC000901423633 624231419 /nfs/dbraw/zinc/23/14/19/624231419.db2.gz GPAMRQOIKWEEDI-ONGXEEELSA-N -1 1 279.340 1.399 20 0 CDADMM CN(CCc1ccccc1)CC(=O)NCCCCC(=O)[O-] ZINC000901485109 624312912 /nfs/dbraw/zinc/31/29/12/624312912.db2.gz CTBROIXBWXYXPQ-UHFFFAOYSA-N -1 1 292.379 1.532 20 0 CDADMM CC[C@H](C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)N(C)C ZINC000901640901 624385569 /nfs/dbraw/zinc/38/55/69/624385569.db2.gz XNNMHVJFITURSV-CHWSQXEVSA-N -1 1 290.363 1.932 20 0 CDADMM COCCN(CCC(=O)[O-])Cc1cnc2cccc(C)n12 ZINC000901661803 624397936 /nfs/dbraw/zinc/39/79/36/624397936.db2.gz KNPBENVBPDYPHO-UHFFFAOYSA-N -1 1 291.351 1.566 20 0 CDADMM COc1cccc([C@H](NCc2cnn(C)c2)C(=O)[O-])c1 ZINC000901755286 624438730 /nfs/dbraw/zinc/43/87/30/624438730.db2.gz IZSCVPKLUUOFQM-ZDUSSCGKSA-N -1 1 275.308 1.344 20 0 CDADMM O=C([O-])/C=C/c1ccc(CN[C@@H]2CC(=O)N(C3CC3)C2)o1 ZINC000902267078 624626244 /nfs/dbraw/zinc/62/62/44/624626244.db2.gz CALJQQUYPXRSHI-BRAIEQGRSA-N -1 1 290.319 1.230 20 0 CDADMM CCS[C@H]1CCCC[C@H]1NCc1cn(CC(=O)[O-])nn1 ZINC000902338061 624696662 /nfs/dbraw/zinc/69/66/62/624696662.db2.gz OPQVPMALKHUGCL-NEPJUHHUSA-N -1 1 298.412 1.517 20 0 CDADMM CC(C)[C@H](C(=O)Nc1cc(C(=O)[O-])n[nH]1)N1CCCCC1 ZINC000902674062 625158140 /nfs/dbraw/zinc/15/81/40/625158140.db2.gz FJZDHLRVQJLUNS-GFCCVEGCSA-N -1 1 294.355 1.557 20 0 CDADMM CCC[C@H](NC(=O)C1=Cc2ccccc2OC1)c1nn[n-]n1 ZINC000170025050 625879468 /nfs/dbraw/zinc/87/94/68/625879468.db2.gz SMWZCYMHCOMPBI-LBPRGKRZSA-N -1 1 299.334 1.633 20 0 CDADMM O=C([O-])C[C@H]1CN(CC[C@@H]2CCCC2(F)F)CCO1 ZINC000903602207 626031439 /nfs/dbraw/zinc/03/14/39/626031439.db2.gz 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1163439765 /nfs/dbraw/zinc/43/97/65/1163439765.db2.gz YVSZOTHVNBOZDV-UHFFFAOYSA-N -1 1 292.295 1.433 20 0 CDADMM COCCC1CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001605080511 1163445434 /nfs/dbraw/zinc/44/54/34/1163445434.db2.gz IGLSYDNZVQUVGG-UHFFFAOYSA-N -1 1 288.355 1.515 20 0 CDADMM COCCC1CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001605080511 1163445439 /nfs/dbraw/zinc/44/54/39/1163445439.db2.gz IGLSYDNZVQUVGG-UHFFFAOYSA-N -1 1 288.355 1.515 20 0 CDADMM CO[C@H]1C[C@H](CNc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001605153590 1163470544 /nfs/dbraw/zinc/47/05/44/1163470544.db2.gz KVLFYTFSCZSJLJ-ZKCHVHJHSA-N -1 1 294.746 1.752 20 0 CDADMM CO[C@H]1C[C@H](CNc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001605153590 1163470545 /nfs/dbraw/zinc/47/05/45/1163470545.db2.gz KVLFYTFSCZSJLJ-ZKCHVHJHSA-N -1 1 294.746 1.752 20 0 CDADMM CCN(C(C)=O)c1nc(CNCC2(C(=O)[O-])CC2)cs1 ZINC001605405468 1163552989 /nfs/dbraw/zinc/55/29/89/1163552989.db2.gz OLSRFXLAEACIGF-UHFFFAOYSA-N -1 1 297.380 1.470 20 0 CDADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001605426823 1163560744 /nfs/dbraw/zinc/56/07/44/1163560744.db2.gz YABORXGPCIFIBP-ZIYJGFGOSA-N -1 1 284.323 1.036 20 0 CDADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001605426823 1163560751 /nfs/dbraw/zinc/56/07/51/1163560751.db2.gz YABORXGPCIFIBP-ZIYJGFGOSA-N -1 1 284.323 1.036 20 0 CDADMM CCN1C[C@H](C)N(C(=O)c2ccc(C(=O)[O-])n2C)C[C@H]1C ZINC001605471099 1163576934 /nfs/dbraw/zinc/57/69/34/1163576934.db2.gz YTUBYNYEENLMBX-MNOVXSKESA-N -1 1 293.367 1.278 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(F)CC2)c1 ZINC001605560035 1163609791 /nfs/dbraw/zinc/60/97/91/1163609791.db2.gz NUFBACRXWNPYJK-UHFFFAOYSA-N -1 1 262.292 1.508 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(F)CC2)c1 ZINC001605560035 1163609795 /nfs/dbraw/zinc/60/97/95/1163609795.db2.gz NUFBACRXWNPYJK-UHFFFAOYSA-N -1 1 262.292 1.508 20 0 CDADMM Cc1cc(N2CC[C@@H](C)O[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001605698066 1163645422 /nfs/dbraw/zinc/64/54/22/1163645422.db2.gz DDCIJGIRQNAELN-MNOVXSKESA-N -1 1 288.355 1.574 20 0 CDADMM Cc1cc(N2CC[C@@H](C)O[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001605698066 1163645425 /nfs/dbraw/zinc/64/54/25/1163645425.db2.gz DDCIJGIRQNAELN-MNOVXSKESA-N -1 1 288.355 1.574 20 0 CDADMM Cc1cc(NCC2(C)COC2)nc(-c2nnn[n-]2)c1 ZINC001605728219 1163653967 /nfs/dbraw/zinc/65/39/67/1163653967.db2.gz BPLKKCYSDMPTGE-UHFFFAOYSA-N -1 1 260.301 1.019 20 0 CDADMM Cc1cc(NCC2(C)COC2)nc(-c2nn[n-]n2)c1 ZINC001605728219 1163653973 /nfs/dbraw/zinc/65/39/73/1163653973.db2.gz BPLKKCYSDMPTGE-UHFFFAOYSA-N -1 1 260.301 1.019 20 0 CDADMM Cc1cc(NC[C@@H]2CC[C@H](O)C2)cc(-c2nnn[n-]2)n1 ZINC001605729399 1163654126 /nfs/dbraw/zinc/65/41/26/1163654126.db2.gz CQWVMTTTYFBYFR-KOLCDFICSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cc(NC[C@@H]2CC[C@H](O)C2)cc(-c2nn[n-]n2)n1 ZINC001605729399 1163654128 /nfs/dbraw/zinc/65/41/28/1163654128.db2.gz CQWVMTTTYFBYFR-KOLCDFICSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cc(NC[C@@H](C)C[C@H](C)O)cc(-c2nnn[n-]2)n1 ZINC001605727124 1163654338 /nfs/dbraw/zinc/65/43/38/1163654338.db2.gz PVXHPWSBQCYCKJ-WPRPVWTQSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1cc(NC[C@@H](C)C[C@H](C)O)cc(-c2nn[n-]n2)n1 ZINC001605727124 1163654342 /nfs/dbraw/zinc/65/43/42/1163654342.db2.gz PVXHPWSBQCYCKJ-WPRPVWTQSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1cc(NCc2ccon2)cc(-c2nnn[n-]2)n1 ZINC001605739901 1163657372 /nfs/dbraw/zinc/65/73/72/1163657372.db2.gz NHXBBZLSAQYLOP-UHFFFAOYSA-N -1 1 257.257 1.170 20 0 CDADMM Cc1cc(NCc2ccon2)cc(-c2nn[n-]n2)n1 ZINC001605739901 1163657375 /nfs/dbraw/zinc/65/73/75/1163657375.db2.gz NHXBBZLSAQYLOP-UHFFFAOYSA-N -1 1 257.257 1.170 20 0 CDADMM Cc1ccc(N(C)Cc2ccccn2)nc1-c1nnn[n-]1 ZINC001605866116 1163697650 /nfs/dbraw/zinc/69/76/50/1163697650.db2.gz KOAQEIRWDYCZIO-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1ccc(N(C)Cc2ccccn2)nc1-c1nn[n-]n1 ZINC001605866116 1163697652 /nfs/dbraw/zinc/69/76/52/1163697652.db2.gz KOAQEIRWDYCZIO-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM CCc1nc(COC(=O)c2cc(F)cc(C(=O)[O-])c2)n[nH]1 ZINC001605870294 1163699595 /nfs/dbraw/zinc/69/95/95/1163699595.db2.gz YGAGQXFJGSKIEU-UHFFFAOYSA-N -1 1 293.254 1.561 20 0 CDADMM Cc1ccc(O)c(NC(=O)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001605876011 1163702416 /nfs/dbraw/zinc/70/24/16/1163702416.db2.gz ZCRYJJMAIKBJFP-UHFFFAOYSA-N -1 1 296.290 1.528 20 0 CDADMM Cc1ccc(O)c(NC(=O)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001605876011 1163702423 /nfs/dbraw/zinc/70/24/23/1163702423.db2.gz ZCRYJJMAIKBJFP-UHFFFAOYSA-N -1 1 296.290 1.528 20 0 CDADMM Cc1ncsc1CNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001605875436 1163702791 /nfs/dbraw/zinc/70/27/91/1163702791.db2.gz LNFUBYPDOZOTCT-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1ncsc1CNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001605875436 1163702797 /nfs/dbraw/zinc/70/27/97/1163702797.db2.gz LNFUBYPDOZOTCT-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1cccc(CCCn2cncc(-c3nn[n-]n3)c2=O)c1 ZINC001605912045 1163711594 /nfs/dbraw/zinc/71/15/94/1163711594.db2.gz MRKJHMGEPWFAQP-UHFFFAOYSA-N -1 1 296.334 1.365 20 0 CDADMM Cc1cnc(COc2ccc(F)nc2-c2nn[nH]n2)nc1 ZINC001605979171 1163734572 /nfs/dbraw/zinc/73/45/72/1163734572.db2.gz RXRPQTLUZWRUIS-UHFFFAOYSA-N -1 1 287.258 1.078 20 0 CDADMM Cc1cnc(COc2ccc(F)nc2-c2nn[n-]n2)nc1 ZINC001605979171 1163734577 /nfs/dbraw/zinc/73/45/77/1163734577.db2.gz RXRPQTLUZWRUIS-UHFFFAOYSA-N -1 1 287.258 1.078 20 0 CDADMM Cc1[nH]nc(NC(=O)C[C@@H]2CCC[C@@H]2C)c1-c1nn[n-]n1 ZINC001606013235 1163743126 /nfs/dbraw/zinc/74/31/26/1163743126.db2.gz IXQRWDDNLVEHLM-CBAPKCEASA-N -1 1 289.343 1.663 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@H]2CC[C@H](C)C2)c1-c1nn[n-]n1 ZINC001606013495 1163744714 /nfs/dbraw/zinc/74/47/14/1163744714.db2.gz ROXOEARGRIUMKB-XPUUQOCRSA-N -1 1 275.316 1.273 20 0 CDADMM Cc1nc(-c2noc(-c3cc(-c4nnn[n-]4)oc3C)n2)co1 ZINC001606023647 1163750006 /nfs/dbraw/zinc/75/00/06/1163750006.db2.gz AVQLNCVKBCGALW-UHFFFAOYSA-N -1 1 299.250 1.782 20 0 CDADMM Cc1nc(-c2noc(-c3cc(-c4nn[n-]n4)oc3C)n2)co1 ZINC001606023647 1163750012 /nfs/dbraw/zinc/75/00/12/1163750012.db2.gz AVQLNCVKBCGALW-UHFFFAOYSA-N -1 1 299.250 1.782 20 0 CDADMM Cc1nc(N[C@H](C)Cc2ccccn2)cc(-c2nnn[n-]2)n1 ZINC001606060354 1163759410 /nfs/dbraw/zinc/75/94/10/1163759410.db2.gz ISTJSMDBIWXFOJ-SECBINFHSA-N -1 1 296.338 1.403 20 0 CDADMM Cc1nc(N[C@H](C)Cc2ccccn2)cc(-c2nn[n-]n2)n1 ZINC001606060354 1163759416 /nfs/dbraw/zinc/75/94/16/1163759416.db2.gz ISTJSMDBIWXFOJ-SECBINFHSA-N -1 1 296.338 1.403 20 0 CDADMM Cl/C=C\Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001606185479 1163801675 /nfs/dbraw/zinc/80/16/75/1163801675.db2.gz SEKFPLDQIFAGSC-DAXSKMNVSA-N -1 1 287.714 1.878 20 0 CDADMM CN1CC2(C1)CCN(C(=O)/C=C\c1cc(C(=O)[O-])co1)C2 ZINC001606208850 1163813722 /nfs/dbraw/zinc/81/37/22/1163813722.db2.gz NGWQVYGBQZQLOK-IHWYPQMZSA-N -1 1 290.319 1.155 20 0 CDADMM Cn1cc(C=Cc2cnc(-c3nnn[n-]3)cn2)c(C2CC2)n1 ZINC001606238001 1163824802 /nfs/dbraw/zinc/82/48/02/1163824802.db2.gz UUSQMKNLMHBBNK-PLNGDYQASA-N -1 1 294.322 1.438 20 0 CDADMM Cn1cc(C=Cc2cnc(-c3nn[n-]n3)cn2)c(C2CC2)n1 ZINC001606238001 1163824810 /nfs/dbraw/zinc/82/48/10/1163824810.db2.gz UUSQMKNLMHBBNK-PLNGDYQASA-N -1 1 294.322 1.438 20 0 CDADMM F[C@@H]1CCCC[C@@H]1Nc1ncncc1-c1nn[n-]n1 ZINC001606302855 1163848217 /nfs/dbraw/zinc/84/82/17/1163848217.db2.gz MZSGAHMHKVXGQP-BDAKNGLRSA-N -1 1 263.280 1.349 20 0 CDADMM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1CCC1CC1 ZINC001606373284 1163881450 /nfs/dbraw/zinc/88/14/50/1163881450.db2.gz JZHANSDDAUTIFJ-MNOVXSKESA-N -1 1 255.314 1.125 20 0 CDADMM COCC[N@@H+](CCC(=O)[O-])Cc1ccc(C(=O)[O-])s1 ZINC001606886811 1164025091 /nfs/dbraw/zinc/02/50/91/1164025091.db2.gz ALUOAMPTWXYUJQ-UHFFFAOYSA-N -1 1 287.337 1.369 20 0 CDADMM c1c(-c2nnn[n-]2)nc(C2CC2)nc1N1CC[C@@H]2CCC[C@@H]21 ZINC001607114819 1164093823 /nfs/dbraw/zinc/09/38/23/1164093823.db2.gz QZUYLRGNDJTSCK-CABZTGNLSA-N -1 1 297.366 1.913 20 0 CDADMM c1c(-c2nn[n-]n2)nc(C2CC2)nc1N1CC[C@@H]2CCC[C@@H]21 ZINC001607114819 1164093827 /nfs/dbraw/zinc/09/38/27/1164093827.db2.gz QZUYLRGNDJTSCK-CABZTGNLSA-N -1 1 297.366 1.913 20 0 CDADMM c1cn2c(n1)[C@H](Nc1cccc(-c3nnn[n-]3)n1)CC2 ZINC001607120011 1164103109 /nfs/dbraw/zinc/10/31/09/1164103109.db2.gz QEKLVXAQNXLYOS-SECBINFHSA-N -1 1 268.284 1.015 20 0 CDADMM c1cn2c(n1)[C@H](Nc1cccc(-c3nn[n-]n3)n1)CC2 ZINC001607120011 1164103114 /nfs/dbraw/zinc/10/31/14/1164103114.db2.gz QEKLVXAQNXLYOS-SECBINFHSA-N -1 1 268.284 1.015 20 0 CDADMM c1cc2cc(Nc3cnc(-c4nnn[n-]4)cn3)ccc2[nH]1 ZINC001607123519 1164105055 /nfs/dbraw/zinc/10/50/55/1164105055.db2.gz RKJHLIQUALDZNU-UHFFFAOYSA-N -1 1 278.279 1.882 20 0 CDADMM c1cc2cc(Nc3cnc(-c4nn[n-]n4)cn3)ccc2[nH]1 ZINC001607123519 1164105060 /nfs/dbraw/zinc/10/50/60/1164105060.db2.gz RKJHLIQUALDZNU-UHFFFAOYSA-N -1 1 278.279 1.882 20 0 CDADMM c1ccc([C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001607130894 1164110155 /nfs/dbraw/zinc/11/01/55/1164110155.db2.gz KCAUZKLGWLCZHA-HAQNSBGRSA-N -1 1 293.334 1.437 20 0 CDADMM c1cc(-c2nn[n-]n2)sc1CNc1cccnn1 ZINC001607135506 1164114236 /nfs/dbraw/zinc/11/42/36/1164114236.db2.gz HMYVNGKVIAJXOQ-UHFFFAOYSA-N -1 1 259.298 1.330 20 0 CDADMM c1cc(Oc2cc(-c3nnn[n-]3)ncn2)cc2c1CCC2 ZINC001607137040 1164116628 /nfs/dbraw/zinc/11/66/28/1164116628.db2.gz GBRFJKKZQLTVLA-UHFFFAOYSA-N -1 1 280.291 1.938 20 0 CDADMM c1cc(Oc2cc(-c3nn[n-]n3)ncn2)cc2c1CCC2 ZINC001607137040 1164116631 /nfs/dbraw/zinc/11/66/31/1164116631.db2.gz GBRFJKKZQLTVLA-UHFFFAOYSA-N -1 1 280.291 1.938 20 0 CDADMM Cc1cc(NC(=O)CCc2cnc[nH]2)ccc1C(=O)[O-] ZINC001607678689 1164266228 /nfs/dbraw/zinc/26/62/28/1164266228.db2.gz XXBWBTUGONRUHQ-UHFFFAOYSA-N -1 1 273.292 1.988 20 0 CDADMM Cc1nc(CC(=O)Nc2ccc(C(=O)[O-])s2)n[nH]1 ZINC001607937179 1164345522 /nfs/dbraw/zinc/34/55/22/1164345522.db2.gz URHCMSKGRSKRFI-UHFFFAOYSA-N -1 1 266.282 1.054 20 0 CDADMM Cn1ccc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)n1 ZINC001608124634 1164418184 /nfs/dbraw/zinc/41/81/84/1164418184.db2.gz KEJZJHFEUPKYRC-UHFFFAOYSA-N -1 1 285.263 1.247 20 0 CDADMM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)[C@@H]1CCN1C1CCCC1)C2 ZINC001608491681 1164526196 /nfs/dbraw/zinc/52/61/96/1164526196.db2.gz MWOYGKVQULKPKR-IZBNFRDHSA-N -1 1 292.379 1.373 20 0 CDADMM O=C([O-])[C@H](c1c(F)cccc1Cl)N1CC[C@H](CO)C1 ZINC001608560364 1164546983 /nfs/dbraw/zinc/54/69/83/1164546983.db2.gz ZQDCLNCROANHDF-UFBFGSQYSA-N -1 1 287.718 1.919 20 0 CDADMM O=C([O-])[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC001608633699 1164581700 /nfs/dbraw/zinc/58/17/00/1164581700.db2.gz AFCJERYRRVWBJN-MWLCHTKSSA-N -1 1 283.711 1.872 20 0 CDADMM O=C([O-])Cc1cccc(NC(=O)c2c[nH]nc2C2CC2)n1 ZINC001608786867 1164637208 /nfs/dbraw/zinc/63/72/08/1164637208.db2.gz XAVNNBQUJAYXFW-UHFFFAOYSA-N -1 1 286.291 1.562 20 0 CDADMM O=C([O-])c1cc(CNC(=O)c2n[nH]c3ccccc32)ccn1 ZINC001608842638 1164660646 /nfs/dbraw/zinc/66/06/46/1164660646.db2.gz DYIPLJJTMFXWOY-UHFFFAOYSA-N -1 1 296.286 1.586 20 0 CDADMM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCCN2C2CC2)cn1 ZINC001608883344 1164674425 /nfs/dbraw/zinc/67/44/25/1164674425.db2.gz IJSWCCFNLVRBQE-ZDUSSCGKSA-N -1 1 289.335 1.023 20 0 CDADMM O=C([O-])c1cn(C2CCN(Cc3ccoc3)CC2)nn1 ZINC001608962722 1164695808 /nfs/dbraw/zinc/69/58/08/1164695808.db2.gz XGAMGROQHHIXCA-UHFFFAOYSA-N -1 1 276.296 1.406 20 0 CDADMM O=C([O-])C1CC(OC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001609014744 1164722572 /nfs/dbraw/zinc/72/25/72/1164722572.db2.gz OSOLHZYRCZBFLM-UHFFFAOYSA-N -1 1 264.281 1.309 20 0 CDADMM CC(C)(C)C(=O)COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609073327 1164757175 /nfs/dbraw/zinc/75/71/75/1164757175.db2.gz KRRLAVBHCTUAPX-UHFFFAOYSA-N -1 1 289.295 1.034 20 0 CDADMM CC(C)(C)C(=O)COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609073327 1164757182 /nfs/dbraw/zinc/75/71/82/1164757182.db2.gz KRRLAVBHCTUAPX-UHFFFAOYSA-N -1 1 289.295 1.034 20 0 CDADMM CC(C)[C@@H]1CCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001609091843 1164768249 /nfs/dbraw/zinc/76/82/49/1164768249.db2.gz SXPQAQXYSIAZKS-LBPRGKRZSA-N -1 1 258.329 1.887 20 0 CDADMM CC(C)[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001609091843 1164768255 /nfs/dbraw/zinc/76/82/55/1164768255.db2.gz SXPQAQXYSIAZKS-LBPRGKRZSA-N -1 1 258.329 1.887 20 0 CDADMM CC(C)[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCS1 ZINC001609091787 1164768470 /nfs/dbraw/zinc/76/84/70/1164768470.db2.gz RNIXPBHFHCWDIU-SNVBAGLBSA-N -1 1 291.384 1.235 20 0 CDADMM CC(C)[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCS1 ZINC001609091787 1164768477 /nfs/dbraw/zinc/76/84/77/1164768477.db2.gz RNIXPBHFHCWDIU-SNVBAGLBSA-N -1 1 291.384 1.235 20 0 CDADMM C[C@@H](Cc1ccco1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001609115828 1164775874 /nfs/dbraw/zinc/77/58/74/1164775874.db2.gz MQMCFLCKAYIDLH-VIFPVBQESA-N -1 1 298.306 1.216 20 0 CDADMM C[C@@H](Cc1ccco1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001609115828 1164775882 /nfs/dbraw/zinc/77/58/82/1164775882.db2.gz MQMCFLCKAYIDLH-VIFPVBQESA-N -1 1 298.306 1.216 20 0 CDADMM CC1(C)CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001609145228 1164793442 /nfs/dbraw/zinc/79/34/42/1164793442.db2.gz GINPGQBDESMOGM-SECBINFHSA-N -1 1 273.344 1.895 20 0 CDADMM CC1(C)CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001609145228 1164793449 /nfs/dbraw/zinc/79/34/49/1164793449.db2.gz GINPGQBDESMOGM-SECBINFHSA-N -1 1 273.344 1.895 20 0 CDADMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)ncn2)[C@H]2CCCC[C@H]12 ZINC001609175574 1164817232 /nfs/dbraw/zinc/81/72/32/1164817232.db2.gz UHXUUSDXGNNBTO-FOGDFJRCSA-N -1 1 285.355 1.672 20 0 CDADMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)ncn2)[C@H]2CCCC[C@H]12 ZINC001609175574 1164817238 /nfs/dbraw/zinc/81/72/38/1164817238.db2.gz UHXUUSDXGNNBTO-FOGDFJRCSA-N -1 1 285.355 1.672 20 0 CDADMM CO[C@H](C)[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001609308437 1164887260 /nfs/dbraw/zinc/88/72/60/1164887260.db2.gz LZONKCXQFWDMAL-RFZPGFLSSA-N -1 1 288.764 1.812 20 0 CDADMM CO[C@H](C)[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609308437 1164887267 /nfs/dbraw/zinc/88/72/67/1164887267.db2.gz LZONKCXQFWDMAL-RFZPGFLSSA-N -1 1 288.764 1.812 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(CC2CC2)CC2CCC2)n1 ZINC001609391707 1164923933 /nfs/dbraw/zinc/92/39/33/1164923933.db2.gz SMCBBKUJOBNLRA-UHFFFAOYSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(CC2CC2)CC2CCC2)n1 ZINC001609391707 1164923938 /nfs/dbraw/zinc/92/39/38/1164923938.db2.gz SMCBBKUJOBNLRA-UHFFFAOYSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1cc(NC[C@@H]2CC[C@@H](C)O2)cc(-c2nnn[n-]2)n1 ZINC001609409343 1164934203 /nfs/dbraw/zinc/93/42/03/1164934203.db2.gz HXSDIRZTTSWYLT-KOLCDFICSA-N -1 1 274.328 1.550 20 0 CDADMM Cc1cc(NC[C@@H]2CC[C@@H](C)O2)cc(-c2nn[n-]n2)n1 ZINC001609409343 1164934209 /nfs/dbraw/zinc/93/42/09/1164934209.db2.gz HXSDIRZTTSWYLT-KOLCDFICSA-N -1 1 274.328 1.550 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@H](C)c2ccccc2)c1-c1nn[n-]n1 ZINC001609444593 1164950867 /nfs/dbraw/zinc/95/08/67/1164950867.db2.gz JSPZFBGIXDXKOL-MRVPVSSYSA-N -1 1 297.322 1.640 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@@H](C)[C@H](F)C1 ZINC001609466886 1164963434 /nfs/dbraw/zinc/96/34/34/1164963434.db2.gz NHRKWHICXGMTPV-GMSGAONNSA-N -1 1 293.302 1.588 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@@H](C)[C@H](F)C1 ZINC001609466886 1164963442 /nfs/dbraw/zinc/96/34/42/1164963442.db2.gz NHRKWHICXGMTPV-GMSGAONNSA-N -1 1 293.302 1.588 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCCOC[C@H]1C ZINC001609466985 1164964129 /nfs/dbraw/zinc/96/41/29/1164964129.db2.gz PTUMUMMPNJAAHK-MRVPVSSYSA-N -1 1 291.311 1.019 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCCOC[C@H]1C ZINC001609466985 1164964133 /nfs/dbraw/zinc/96/41/33/1164964133.db2.gz PTUMUMMPNJAAHK-MRVPVSSYSA-N -1 1 291.311 1.019 20 0 CDADMM Fc1ccc(OCCOCC2CCC2)c(-c2nn[n-]n2)n1 ZINC001609491338 1164975524 /nfs/dbraw/zinc/97/55/24/1164975524.db2.gz YJNMUHDOOKPDDF-UHFFFAOYSA-N -1 1 293.302 1.596 20 0 CDADMM O=C(N[C@H]1C=CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001609540297 1164984817 /nfs/dbraw/zinc/98/48/17/1164984817.db2.gz VXQRRDYIYHINOJ-JTQLQIEISA-N -1 1 270.296 1.100 20 0 CDADMM O=C(N[C@H]1C=CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001609540297 1164984819 /nfs/dbraw/zinc/98/48/19/1164984819.db2.gz VXQRRDYIYHINOJ-JTQLQIEISA-N -1 1 270.296 1.100 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001609577237 1164993090 /nfs/dbraw/zinc/99/30/90/1164993090.db2.gz FQYOOFHYTLJNAZ-GDNZZTSVSA-N -1 1 299.334 1.741 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001609577237 1164993097 /nfs/dbraw/zinc/99/30/97/1164993097.db2.gz FQYOOFHYTLJNAZ-GDNZZTSVSA-N -1 1 299.334 1.741 20 0 CDADMM O=C(OC[C@@H]1CCCOC1)c1ccc(-c2nn[n-]n2)o1 ZINC001609574235 1164993562 /nfs/dbraw/zinc/99/35/62/1164993562.db2.gz NBCABXNBWCDJSQ-MRVPVSSYSA-N -1 1 278.268 1.043 20 0 CDADMM O=C(OCCCCF)c1cccc(-c2nnn[n-]2)n1 ZINC001609574316 1164993660 /nfs/dbraw/zinc/99/36/60/1164993660.db2.gz RCPLVEFQEBYNQN-UHFFFAOYSA-N -1 1 265.248 1.168 20 0 CDADMM O=C(OCCCCF)c1cccc(-c2nn[n-]n2)n1 ZINC001609574316 1164993667 /nfs/dbraw/zinc/99/36/67/1164993667.db2.gz RCPLVEFQEBYNQN-UHFFFAOYSA-N -1 1 265.248 1.168 20 0 CDADMM c1cc(-c2nc([C@@H]3CCCOC3)no2)cc(-c2nnn[n-]2)n1 ZINC001609612952 1165006369 /nfs/dbraw/zinc/00/63/69/1165006369.db2.gz YZZHXNBFGJSIEV-SECBINFHSA-N -1 1 299.294 1.206 20 0 CDADMM c1cc(-c2nc([C@@H]3CCCOC3)no2)cc(-c2nn[n-]n2)n1 ZINC001609612952 1165006373 /nfs/dbraw/zinc/00/63/73/1165006373.db2.gz YZZHXNBFGJSIEV-SECBINFHSA-N -1 1 299.294 1.206 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1N[C@H]1CCO[C@H](C2CC2)C1 ZINC001609621262 1165018586 /nfs/dbraw/zinc/01/85/86/1165018586.db2.gz XWMCFWQKTNADMX-ONGXEEELSA-N -1 1 287.327 1.026 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1N[C@H]1CCO[C@H](C2CC2)C1 ZINC001609621262 1165018590 /nfs/dbraw/zinc/01/85/90/1165018590.db2.gz XWMCFWQKTNADMX-ONGXEEELSA-N -1 1 287.327 1.026 20 0 CDADMM C[C@@H]1OCC[C@]12CN([C@@H](C(=O)[O-])c1cccnc1)CCO2 ZINC001609880465 1165128599 /nfs/dbraw/zinc/12/85/99/1165128599.db2.gz XBCWACNLWHLEHM-LNSITVRQSA-N -1 1 292.335 1.087 20 0 CDADMM CN(C(=O)c1cccc2c[nH]nc21)C(C)(C)CC(=O)[O-] ZINC001610093010 1165214209 /nfs/dbraw/zinc/21/42/09/1165214209.db2.gz DCXJFLMANZRACJ-UHFFFAOYSA-N -1 1 275.308 1.888 20 0 CDADMM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cnc[nH]1 ZINC001610394195 1165306371 /nfs/dbraw/zinc/30/63/71/1165306371.db2.gz TXVQBNZVHIAUHO-SNVBAGLBSA-N -1 1 273.292 1.525 20 0 CDADMM Cc1cc(CN2C[C@H]3C[C@@]3(CO)C2)oc1C(=O)[O-] ZINC001610462564 1165323262 /nfs/dbraw/zinc/32/32/62/1165323262.db2.gz WLGZKPWOZKTPFH-RNCFNFMXSA-N -1 1 251.282 1.100 20 0 CDADMM O=C([O-])c1ccc(CN2CC[C@@H](Nc3ncccn3)C2)o1 ZINC001610825903 1165454920 /nfs/dbraw/zinc/45/49/20/1165454920.db2.gz KXKWEHRAMMKYLB-SNVBAGLBSA-N -1 1 288.307 1.454 20 0 CDADMM Cc1[nH]nc2nc(C)cc(C(=O)Nc3c[n-][nH]c3=O)c12 ZINC001611379053 1165491484 /nfs/dbraw/zinc/49/14/84/1165491484.db2.gz DSVNXUBAJOAXJM-UHFFFAOYSA-N -1 1 272.268 1.256 20 0 CDADMM O=C(NCc1nc2ccccc2o1)c1cncc([O-])c1 ZINC001625382294 1165903855 /nfs/dbraw/zinc/90/38/55/1165903855.db2.gz DGBPPFVDGZVPAT-UHFFFAOYSA-N -1 1 269.260 1.858 20 0 CDADMM Cc1cc(NC(=O)c2ccc([O-])cn2)ccc1-n1cnnn1 ZINC001629583840 1166150068 /nfs/dbraw/zinc/15/00/68/1166150068.db2.gz DNIODKXJSWAYOD-UHFFFAOYSA-N -1 1 296.290 1.324 20 0 CDADMM C[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccns1 ZINC000885166684 1166516085 /nfs/dbraw/zinc/51/60/85/1166516085.db2.gz GBKMAZXBHQRYRE-BDAKNGLRSA-N -1 1 260.384 1.858 20 0 CDADMM CCOC(=O)CS(=O)(=O)[N-]c1ccc([C@H](C)O)cc1 ZINC000049061798 1166528039 /nfs/dbraw/zinc/52/80/39/1166528039.db2.gz VIEWRZWBQUBKAH-VIFPVBQESA-N -1 1 287.337 1.045 20 0 CDADMM O=C(N[C@H]1CCc2n[nH]cc2C1)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155269852 1167110954 /nfs/dbraw/zinc/11/09/54/1167110954.db2.gz RMIUCPBDWWBQIU-VIFPVBQESA-N -1 1 297.318 1.279 20 0 CDADMM Cc1nccnc1CNC(=O)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155273862 1167114806 /nfs/dbraw/zinc/11/48/06/1167114806.db2.gz ZTEIDOSQVKAARY-UHFFFAOYSA-N -1 1 283.291 1.297 20 0 CDADMM O=C(NCc1cscc1Cl)c1cnncc1[O-] ZINC001155556623 1167229285 /nfs/dbraw/zinc/22/92/85/1167229285.db2.gz ZBUQDCZSBOKWCF-UHFFFAOYSA-N -1 1 269.713 1.827 20 0 CDADMM CC(C)c1nc(CN[C@]2(CC(=O)[O-])CCOC2)cs1 ZINC001646228545 1167708334 /nfs/dbraw/zinc/70/83/34/1167708334.db2.gz WKVOKQSDOOLRLG-ZDUSSCGKSA-N -1 1 284.381 1.990 20 0 CDADMM CCC[C@@H](NC(=O)[C@@H](C)OC1CCCCC1)c1nn[n-]n1 ZINC001649721035 1169307708 /nfs/dbraw/zinc/30/77/08/1169307708.db2.gz QYRZNYUDISSFHE-ZYHUDNBSSA-N -1 1 295.387 1.895 20 0 CDADMM Cc1c(Br)cncc1CNC[C@H](F)C(=O)[O-] ZINC001650013772 1169607115 /nfs/dbraw/zinc/60/71/15/1169607115.db2.gz GJOXCMKWPLCJCM-VIFPVBQESA-N -1 1 291.120 1.665 20 0 CDADMM C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CCCCN2C)[C@@H](C)[C@H]1C(=O)[O-] ZINC001573632667 1170713913 /nfs/dbraw/zinc/71/39/13/1170713913.db2.gz LYYJBCBYQVYTOC-QMVSFRDZSA-N -1 1 296.411 1.817 20 0 CDADMM CCn1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])n1 ZINC001578770099 1171999894 /nfs/dbraw/zinc/99/98/94/1171999894.db2.gz LSNCXUQIDZZLFZ-UHFFFAOYSA-N -1 1 299.294 1.041 20 0 CDADMM Cn1c2ccc(NC(=O)c3ccc([O-])cn3)cc2n(C)c1=O ZINC001583604648 1172768055 /nfs/dbraw/zinc/76/80/55/1172768055.db2.gz DVVZQOUFIGFHBO-UHFFFAOYSA-N -1 1 298.302 1.230 20 0 CDADMM CC(C)[C@@H]1C[C@@H]1COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589502688 1173151435 /nfs/dbraw/zinc/15/14/35/1173151435.db2.gz PWBDEGFDKBEPSN-ZJUUUORDSA-N -1 1 287.323 1.711 20 0 CDADMM CC(C)[C@@H]1C[C@@H]1COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589502688 1173151443 /nfs/dbraw/zinc/15/14/43/1173151443.db2.gz PWBDEGFDKBEPSN-ZJUUUORDSA-N -1 1 287.323 1.711 20 0 CDADMM CC(C)[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001589509204 1173154249 /nfs/dbraw/zinc/15/42/49/1173154249.db2.gz MZWWNTDNQKKQSD-VIFPVBQESA-N -1 1 259.317 1.282 20 0 CDADMM CC(C)c1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cn1 ZINC001589768212 1173175003 /nfs/dbraw/zinc/17/50/03/1173175003.db2.gz RFKNMUBQEGEBFL-UHFFFAOYSA-N -1 1 298.310 1.361 20 0 CDADMM CC(C)c1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cn1 ZINC001589768212 1173175011 /nfs/dbraw/zinc/17/50/11/1173175011.db2.gz RFKNMUBQEGEBFL-UHFFFAOYSA-N -1 1 298.310 1.361 20 0 CDADMM CC(C)[C@@H]1C[C@H]1CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589763337 1173176147 /nfs/dbraw/zinc/17/61/47/1173176147.db2.gz DDXGKIBDKHDEBQ-QWRGUYRKSA-N -1 1 286.339 1.284 20 0 CDADMM CC(C)[C@@H]1C[C@H]1CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589763337 1173176150 /nfs/dbraw/zinc/17/61/50/1173176150.db2.gz DDXGKIBDKHDEBQ-QWRGUYRKSA-N -1 1 286.339 1.284 20 0 CDADMM C[C@@H](NCc1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC001589970949 1173217890 /nfs/dbraw/zinc/21/78/90/1173217890.db2.gz PYGVVRNNIREMCH-RXMQYKEDSA-N -1 1 277.275 1.969 20 0 CDADMM CC1(C)[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)o3)C[C@@H]21 ZINC001590079665 1173248429 /nfs/dbraw/zinc/24/84/29/1173248429.db2.gz KVQAKDZHERTILI-OCAPTIKFSA-N -1 1 273.296 1.188 20 0 CDADMM CC1(C)[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)o3)C[C@@H]21 ZINC001590079665 1173248437 /nfs/dbraw/zinc/24/84/37/1173248437.db2.gz KVQAKDZHERTILI-OCAPTIKFSA-N -1 1 273.296 1.188 20 0 CDADMM CC1(C)CC(COC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590079445 1173249473 /nfs/dbraw/zinc/24/94/73/1173249473.db2.gz HVZQDMYKPNHYHI-UHFFFAOYSA-N -1 1 287.323 1.855 20 0 CDADMM CC1(C)CC(COC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590079445 1173249484 /nfs/dbraw/zinc/24/94/84/1173249484.db2.gz HVZQDMYKPNHYHI-UHFFFAOYSA-N -1 1 287.323 1.855 20 0 CDADMM CC1(C)CC[C@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590093489 1173253652 /nfs/dbraw/zinc/25/36/52/1173253652.db2.gz RYAQRJXLSQAPLF-LLVKDONJSA-N -1 1 286.339 1.109 20 0 CDADMM CC1(C)CC[C@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590093489 1173253657 /nfs/dbraw/zinc/25/36/57/1173253657.db2.gz RYAQRJXLSQAPLF-LLVKDONJSA-N -1 1 286.339 1.109 20 0 CDADMM CC1(C)CC[C@@H](O)[C@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001590099129 1173256213 /nfs/dbraw/zinc/25/62/13/1173256213.db2.gz AIFXUVFJUOSBAI-GHMZBOCLSA-N -1 1 288.355 1.613 20 0 CDADMM CC1(C)CC[C@@H](O)[C@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001590099129 1173256218 /nfs/dbraw/zinc/25/62/18/1173256218.db2.gz AIFXUVFJUOSBAI-GHMZBOCLSA-N -1 1 288.355 1.613 20 0 CDADMM CC1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC001590102213 1173256680 /nfs/dbraw/zinc/25/66/80/1173256680.db2.gz LZRVKCUCMACSQX-UHFFFAOYSA-N -1 1 286.339 1.522 20 0 CDADMM CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC001590102213 1173256687 /nfs/dbraw/zinc/25/66/87/1173256687.db2.gz LZRVKCUCMACSQX-UHFFFAOYSA-N -1 1 286.339 1.522 20 0 CDADMM CC1(C)CCC[C@]1(O)CNc1cc(-c2nnn[n-]2)ncn1 ZINC001590098452 1173257539 /nfs/dbraw/zinc/25/75/39/1173257539.db2.gz SNNGVKMSFXTQNN-ZDUSSCGKSA-N -1 1 289.343 1.010 20 0 CDADMM CC1(C)CCC[C@]1(O)CNc1cc(-c2nn[n-]n2)ncn1 ZINC001590098452 1173257543 /nfs/dbraw/zinc/25/75/43/1173257543.db2.gz SNNGVKMSFXTQNN-ZDUSSCGKSA-N -1 1 289.343 1.010 20 0 CDADMM CC1(C)CO[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590111078 1173260632 /nfs/dbraw/zinc/26/06/32/1173260632.db2.gz NRIWGJQMHUZFFV-SECBINFHSA-N -1 1 289.343 1.274 20 0 CDADMM CC1(C)CO[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590111078 1173260640 /nfs/dbraw/zinc/26/06/40/1173260640.db2.gz NRIWGJQMHUZFFV-SECBINFHSA-N -1 1 289.343 1.274 20 0 CDADMM CC1(C)CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)[C@H]1C1CC1 ZINC001590103626 1173261001 /nfs/dbraw/zinc/26/10/01/1173261001.db2.gz CTMBUJXXZGQYME-LBPRGKRZSA-N -1 1 298.350 1.522 20 0 CDADMM CC1(C)CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)[C@H]1C1CC1 ZINC001590103626 1173261005 /nfs/dbraw/zinc/26/10/05/1173261005.db2.gz CTMBUJXXZGQYME-LBPRGKRZSA-N -1 1 298.350 1.522 20 0 CDADMM CC1(CC(F)F)CN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590122826 1173264761 /nfs/dbraw/zinc/26/47/61/1173264761.db2.gz AFDBPESVPZFGLB-UHFFFAOYSA-N -1 1 280.282 1.743 20 0 CDADMM CC1(CC(F)F)CN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590122826 1173264764 /nfs/dbraw/zinc/26/47/64/1173264764.db2.gz AFDBPESVPZFGLB-UHFFFAOYSA-N -1 1 280.282 1.743 20 0 CDADMM CC1(F)CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001590142035 1173271142 /nfs/dbraw/zinc/27/11/42/1173271142.db2.gz UFPGICBSORVFGK-UHFFFAOYSA-N -1 1 268.683 1.463 20 0 CDADMM CC1(F)CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001590142035 1173271149 /nfs/dbraw/zinc/27/11/49/1173271149.db2.gz UFPGICBSORVFGK-UHFFFAOYSA-N -1 1 268.683 1.463 20 0 CDADMM C[C@@H]1C[C@H](C)N1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590188261 1173284692 /nfs/dbraw/zinc/28/46/92/1173284692.db2.gz CDKZAEZOEBVTKC-OCAPTIKFSA-N -1 1 273.300 1.276 20 0 CDADMM C[C@@H]1C[C@H](C)N1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590188261 1173284701 /nfs/dbraw/zinc/28/47/01/1173284701.db2.gz CDKZAEZOEBVTKC-OCAPTIKFSA-N -1 1 273.300 1.276 20 0 CDADMM C[C@@H]1C[C@H]1CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590221854 1173300161 /nfs/dbraw/zinc/30/01/61/1173300161.db2.gz UPDGGDJFSGQYSA-RQJHMYQMSA-N -1 1 263.326 1.314 20 0 CDADMM C[C@@H]1CCCCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590261610 1173324129 /nfs/dbraw/zinc/32/41/29/1173324129.db2.gz UKKRTOWEDXMGFA-SNVBAGLBSA-N -1 1 286.339 1.205 20 0 CDADMM C[C@@H]1CCCCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590261610 1173324135 /nfs/dbraw/zinc/32/41/35/1173324135.db2.gz UKKRTOWEDXMGFA-SNVBAGLBSA-N -1 1 286.339 1.205 20 0 CDADMM C[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC12CCC2 ZINC001590274278 1173336803 /nfs/dbraw/zinc/33/68/03/1173336803.db2.gz IFSQWVXEJFOVFC-SNVBAGLBSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@@H]1[C@H](C)CN(c2ccnc(-c3nnn[n-]3)c2)[C@H]1C ZINC001590316568 1173352686 /nfs/dbraw/zinc/35/26/86/1173352686.db2.gz SZDJANRAAKJVIL-BBBLOLIVSA-N -1 1 258.329 1.742 20 0 CDADMM CC[C@@H](OC)C(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001590476172 1173426935 /nfs/dbraw/zinc/42/69/35/1173426935.db2.gz BVAFVXYISYVCPL-SSDOTTSWSA-N -1 1 296.356 1.019 20 0 CDADMM CC[C@@H](OC)C(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001590476172 1173426943 /nfs/dbraw/zinc/42/69/43/1173426943.db2.gz BVAFVXYISYVCPL-SSDOTTSWSA-N -1 1 296.356 1.019 20 0 CDADMM CCOC1CC2(C[C@H]2Nc2ncncc2-c2nn[n-]n2)C1 ZINC001590794507 1173512362 /nfs/dbraw/zinc/51/23/62/1173512362.db2.gz IDJDBEICVBTRAC-MDGUTJNFSA-N -1 1 287.327 1.026 20 0 CDADMM CC[C@@H]1C[C@H]1Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590860735 1173530849 /nfs/dbraw/zinc/53/08/49/1173530849.db2.gz XURGQLYJVIHEBS-VXNVDRBHSA-N -1 1 271.328 1.745 20 0 CDADMM CC[C@@H]1C[C@H]1Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590860735 1173530856 /nfs/dbraw/zinc/53/08/56/1173530856.db2.gz XURGQLYJVIHEBS-VXNVDRBHSA-N -1 1 271.328 1.745 20 0 CDADMM CC[C@@H]1OCC[C@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590861649 1173531578 /nfs/dbraw/zinc/53/15/78/1173531578.db2.gz OFYPEJGKNQLYMK-BDAKNGLRSA-N -1 1 293.352 1.226 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N(CC)C[C@H](C)OC)n1 ZINC001590904625 1173537793 /nfs/dbraw/zinc/53/77/93/1173537793.db2.gz CHIAHXYFFXDJFQ-VIFPVBQESA-N -1 1 291.359 1.080 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N(CC)C[C@H](C)OC)n1 ZINC001590904625 1173537800 /nfs/dbraw/zinc/53/78/00/1173537800.db2.gz CHIAHXYFFXDJFQ-VIFPVBQESA-N -1 1 291.359 1.080 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)Cc2cccnc2)n1 ZINC001590904964 1173539893 /nfs/dbraw/zinc/53/98/93/1173539893.db2.gz OIXJEQHEWKFBSC-UHFFFAOYSA-N -1 1 296.338 1.251 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)Cc2cccnc2)n1 ZINC001590904964 1173539899 /nfs/dbraw/zinc/53/98/99/1173539899.db2.gz OIXJEQHEWKFBSC-UHFFFAOYSA-N -1 1 296.338 1.251 20 0 CDADMM CCc1nc(N[C@@H]2CCCC2(F)F)cc(-c2nnn[n-]2)n1 ZINC001590917624 1173543533 /nfs/dbraw/zinc/54/35/33/1173543533.db2.gz RJYJFLHMKJGVRV-MRVPVSSYSA-N -1 1 295.297 1.819 20 0 CDADMM CCc1nc(N[C@@H]2CCCC2(F)F)cc(-c2nn[n-]n2)n1 ZINC001590917624 1173543541 /nfs/dbraw/zinc/54/35/41/1173543541.db2.gz RJYJFLHMKJGVRV-MRVPVSSYSA-N -1 1 295.297 1.819 20 0 CDADMM CCn1nccc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001590969351 1173554127 /nfs/dbraw/zinc/55/41/27/1173554127.db2.gz GRKFIGMVKMIUJR-UHFFFAOYSA-N -1 1 299.294 1.041 20 0 CDADMM COC1(COC(=O)c2coc(-c3nnn[n-]3)c2)CCC1 ZINC001591344486 1173619685 /nfs/dbraw/zinc/61/96/85/1173619685.db2.gz XEADLLRVBSLFQO-UHFFFAOYSA-N -1 1 278.268 1.186 20 0 CDADMM COC1(COC(=O)c2coc(-c3nn[n-]n3)c2)CCC1 ZINC001591344486 1173619689 /nfs/dbraw/zinc/61/96/89/1173619689.db2.gz XEADLLRVBSLFQO-UHFFFAOYSA-N -1 1 278.268 1.186 20 0 CDADMM CO[C@]1(CNc2cccnc2-c2nnn[n-]2)CCSC1 ZINC001591342608 1173620785 /nfs/dbraw/zinc/62/07/85/1173620785.db2.gz HMZZEOBTTGSBSK-LBPRGKRZSA-N -1 1 292.368 1.196 20 0 CDADMM CO[C@]1(CNc2cccnc2-c2nn[n-]n2)CCSC1 ZINC001591342608 1173620788 /nfs/dbraw/zinc/62/07/88/1173620788.db2.gz HMZZEOBTTGSBSK-LBPRGKRZSA-N -1 1 292.368 1.196 20 0 CDADMM COC[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001591383057 1173640267 /nfs/dbraw/zinc/64/02/67/1173640267.db2.gz SLQJQSAVLXQQAK-CQSZACIVSA-N -1 1 296.334 1.483 20 0 CDADMM COC[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001591383057 1173640271 /nfs/dbraw/zinc/64/02/71/1173640271.db2.gz SLQJQSAVLXQQAK-CQSZACIVSA-N -1 1 296.334 1.483 20 0 CDADMM COc1cc(OC)c2ncc(-c3nn[n-]n3)c(OC)c2c1 ZINC001591552066 1173669510 /nfs/dbraw/zinc/66/95/10/1173669510.db2.gz XYGXALLCJUFWIP-UHFFFAOYSA-N -1 1 287.279 1.441 20 0 CDADMM COc1ccccc1Oc1cc(-c2nnn[n-]2)ncn1 ZINC001591652869 1173676058 /nfs/dbraw/zinc/67/60/58/1173676058.db2.gz RAFOVWRLBLUIDN-UHFFFAOYSA-N -1 1 270.252 1.458 20 0 CDADMM COc1ccccc1Oc1cc(-c2nn[n-]n2)ncn1 ZINC001591652869 1173676064 /nfs/dbraw/zinc/67/60/64/1173676064.db2.gz RAFOVWRLBLUIDN-UHFFFAOYSA-N -1 1 270.252 1.458 20 0 CDADMM COc1ccccc1Oc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591652485 1173677314 /nfs/dbraw/zinc/67/73/14/1173677314.db2.gz LZYSPTLCHFMYHJ-UHFFFAOYSA-N -1 1 284.279 1.766 20 0 CDADMM COc1ccccc1Oc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591652485 1173677317 /nfs/dbraw/zinc/67/73/17/1173677317.db2.gz LZYSPTLCHFMYHJ-UHFFFAOYSA-N -1 1 284.279 1.766 20 0 CDADMM C[C@@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccco1 ZINC001591732783 1173693816 /nfs/dbraw/zinc/69/38/16/1173693816.db2.gz NXVSJKKONNTEBQ-MRVPVSSYSA-N -1 1 285.263 1.773 20 0 CDADMM C[C@@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccco1 ZINC001591732783 1173693820 /nfs/dbraw/zinc/69/38/20/1173693820.db2.gz NXVSJKKONNTEBQ-MRVPVSSYSA-N -1 1 285.263 1.773 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3CCCC[C@@H]32)n1 ZINC001591887746 1173739876 /nfs/dbraw/zinc/73/98/76/1173739876.db2.gz ALGRCDZQHMBZPI-JQWIXIFHSA-N -1 1 285.355 1.734 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3CCCC[C@@H]32)n1 ZINC001591887746 1173739881 /nfs/dbraw/zinc/73/98/81/1173739881.db2.gz ALGRCDZQHMBZPI-JQWIXIFHSA-N -1 1 285.355 1.734 20 0 CDADMM Cc1cc(N2C[C@@H](C)C[C@H](CO)C2)cc(-c2nnn[n-]2)n1 ZINC001591998445 1173768391 /nfs/dbraw/zinc/76/83/91/1173768391.db2.gz HHBJOGBJYQVRRM-ONGXEEELSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(N2C[C@@H](C)C[C@H](CO)C2)cc(-c2nn[n-]n2)n1 ZINC001591998445 1173768393 /nfs/dbraw/zinc/76/83/93/1173768393.db2.gz HHBJOGBJYQVRRM-ONGXEEELSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(N2C[C@@H]3[C@H](C2)C3(C)C)cc(-c2nnn[n-]2)n1 ZINC001592001177 1173768953 /nfs/dbraw/zinc/76/89/53/1173768953.db2.gz PZABFZKLGORMOB-PHIMTYICSA-N -1 1 270.340 1.662 20 0 CDADMM Cc1cc(N2C[C@@H]3[C@H](C2)C3(C)C)cc(-c2nn[n-]n2)n1 ZINC001592001177 1173768961 /nfs/dbraw/zinc/76/89/61/1173768961.db2.gz PZABFZKLGORMOB-PHIMTYICSA-N -1 1 270.340 1.662 20 0 CDADMM Cc1cc(NCC(C)(C)CO)nc(-c2nnn[n-]2)c1 ZINC001592039740 1173781195 /nfs/dbraw/zinc/78/11/95/1173781195.db2.gz VFGJSKWGBYCLGD-UHFFFAOYSA-N -1 1 262.317 1.001 20 0 CDADMM Cc1cc(NCC(C)(C)CO)nc(-c2nn[n-]n2)c1 ZINC001592039740 1173781198 /nfs/dbraw/zinc/78/11/98/1173781198.db2.gz VFGJSKWGBYCLGD-UHFFFAOYSA-N -1 1 262.317 1.001 20 0 CDADMM Cc1cc(NC[C@@H](O)CC(C)C)nc(-c2nnn[n-]2)c1 ZINC001592041900 1173783808 /nfs/dbraw/zinc/78/38/08/1173783808.db2.gz NIDRTVVYZBTYGV-JTQLQIEISA-N -1 1 276.344 1.389 20 0 CDADMM Cc1cc(NC[C@@H](O)CC(C)C)nc(-c2nn[n-]n2)c1 ZINC001592041900 1173783813 /nfs/dbraw/zinc/78/38/13/1173783813.db2.gz NIDRTVVYZBTYGV-JTQLQIEISA-N -1 1 276.344 1.389 20 0 CDADMM Cc1cc(NCC[C@@H]2CCCOC2)nc(-c2nnn[n-]2)c1 ZINC001592046283 1173787313 /nfs/dbraw/zinc/78/73/13/1173787313.db2.gz RAKCTRTWHWRXJF-NSHDSACASA-N -1 1 288.355 1.799 20 0 CDADMM Cc1cc(NCC[C@@H]2CCCOC2)nc(-c2nn[n-]n2)c1 ZINC001592046283 1173787317 /nfs/dbraw/zinc/78/73/17/1173787317.db2.gz RAKCTRTWHWRXJF-NSHDSACASA-N -1 1 288.355 1.799 20 0 CDADMM Cc1ccc(CC[C@H](C)Nc2cc(-c3nnn[n-]3)ncn2)o1 ZINC001592150525 1173812682 /nfs/dbraw/zinc/81/26/82/1173812682.db2.gz CUDLNERTDPAUJU-VIFPVBQESA-N -1 1 299.338 1.991 20 0 CDADMM Cc1ccc(CC[C@H](C)Nc2cc(-c3nn[n-]n3)ncn2)o1 ZINC001592150525 1173812687 /nfs/dbraw/zinc/81/26/87/1173812687.db2.gz CUDLNERTDPAUJU-VIFPVBQESA-N -1 1 299.338 1.991 20 0 CDADMM Cc1ccc(F)c(CCNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001592173674 1173822992 /nfs/dbraw/zinc/82/29/92/1173822992.db2.gz HLUOIVNQZKFPKN-UHFFFAOYSA-N -1 1 299.313 1.759 20 0 CDADMM Cc1ccc(F)c(CCNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001592173674 1173822997 /nfs/dbraw/zinc/82/29/97/1173822997.db2.gz HLUOIVNQZKFPKN-UHFFFAOYSA-N -1 1 299.313 1.759 20 0 CDADMM Cc1ccc(NCC2CC=CC2)c(-c2nnn[n-]2)n1 ZINC001592182865 1173825823 /nfs/dbraw/zinc/82/58/23/1173825823.db2.gz CCVZNVWRAUIZBE-UHFFFAOYSA-N -1 1 256.313 1.948 20 0 CDADMM Cc1ccc(NCC2CC=CC2)c(-c2nn[n-]n2)n1 ZINC001592182865 1173825828 /nfs/dbraw/zinc/82/58/28/1173825828.db2.gz CCVZNVWRAUIZBE-UHFFFAOYSA-N -1 1 256.313 1.948 20 0 CDADMM Cc1ccccc1C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001592256944 1173835584 /nfs/dbraw/zinc/83/55/84/1173835584.db2.gz PUMABULJTAXEBV-NSHDSACASA-N -1 1 295.350 1.430 20 0 CDADMM Cc1ccn(C[C@@H]2CCO[C@H](C)C2)c(=O)c1-c1nn[n-]n1 ZINC001592266812 1173839223 /nfs/dbraw/zinc/83/92/23/1173839223.db2.gz XWJIERAVVKVUEF-GHMZBOCLSA-N -1 1 289.339 1.152 20 0 CDADMM Cc1coc(C)c1C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592307751 1173851989 /nfs/dbraw/zinc/85/19/89/1173851989.db2.gz RNZCIUJYJVDDID-UHFFFAOYSA-N -1 1 273.256 1.052 20 0 CDADMM Cc1conc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001592311939 1173852754 /nfs/dbraw/zinc/85/27/54/1173852754.db2.gz MFEWMGBJAQNELK-UHFFFAOYSA-N -1 1 286.251 1.121 20 0 CDADMM Cc1nc(N[C@H](C)Cc2cccnc2)cc(-c2nnn[n-]2)n1 ZINC001592381476 1173874586 /nfs/dbraw/zinc/87/45/86/1173874586.db2.gz YZSMEKFLUNZRBM-SECBINFHSA-N -1 1 296.338 1.403 20 0 CDADMM Cc1nc(N[C@H](C)Cc2cccnc2)cc(-c2nn[n-]n2)n1 ZINC001592381476 1173874590 /nfs/dbraw/zinc/87/45/90/1173874590.db2.gz YZSMEKFLUNZRBM-SECBINFHSA-N -1 1 296.338 1.403 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@H]2C[C@H]2C(C)C)c1-c1nnn[n-]1 ZINC001592441307 1173889803 /nfs/dbraw/zinc/88/98/03/1173889803.db2.gz DQIIWQZFELIUKS-IUCAKERBSA-N -1 1 289.343 1.139 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@H]2C[C@H]2C(C)C)c1-c1nn[n-]n1 ZINC001592441307 1173889811 /nfs/dbraw/zinc/88/98/11/1173889811.db2.gz DQIIWQZFELIUKS-IUCAKERBSA-N -1 1 289.343 1.139 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@@H]2C[C@H]2C(C)C)c1-c1nnn[n-]1 ZINC001592441305 1173891575 /nfs/dbraw/zinc/89/15/75/1173891575.db2.gz DQIIWQZFELIUKS-DTWKUNHWSA-N -1 1 289.343 1.139 20 0 CDADMM Cc1noc(OCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001592462261 1173897036 /nfs/dbraw/zinc/89/70/36/1173897036.db2.gz FBJNXUBQBUBMGT-UHFFFAOYSA-N -1 1 264.270 1.199 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@H](C)[C@H](C)C1 ZINC001592496883 1173905951 /nfs/dbraw/zinc/90/59/51/1173905951.db2.gz NULVYOCXJHPQIR-OCAPTIKFSA-N -1 1 275.312 1.496 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@H](C)[C@H](C)C1 ZINC001592496883 1173905957 /nfs/dbraw/zinc/90/59/57/1173905957.db2.gz NULVYOCXJHPQIR-OCAPTIKFSA-N -1 1 275.312 1.496 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccnn1C1CC1 ZINC001592502741 1173907568 /nfs/dbraw/zinc/90/75/68/1173907568.db2.gz IKFIRMJCTCAIMF-UHFFFAOYSA-N -1 1 299.294 1.552 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccnn1C1CC1 ZINC001592502741 1173907573 /nfs/dbraw/zinc/90/75/73/1173907573.db2.gz IKFIRMJCTCAIMF-UHFFFAOYSA-N -1 1 299.294 1.552 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCCOC(C)C ZINC001592504169 1173908325 /nfs/dbraw/zinc/90/83/25/1173908325.db2.gz XHDXIBOAHFNPLZ-UHFFFAOYSA-N -1 1 294.311 1.740 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCCOC(C)C ZINC001592504169 1173908329 /nfs/dbraw/zinc/90/83/29/1173908329.db2.gz XHDXIBOAHFNPLZ-UHFFFAOYSA-N -1 1 294.311 1.740 20 0 CDADMM FC1(F)CCC[C@H]1NCc1nc(-c2nnn[n-]2)cs1 ZINC001592627733 1173936092 /nfs/dbraw/zinc/93/60/92/1173936092.db2.gz DBZMANKRRORQCB-SSDOTTSWSA-N -1 1 286.311 1.601 20 0 CDADMM FC1(F)CCC[C@H]1NCc1nc(-c2nn[n-]n2)cs1 ZINC001592627733 1173936102 /nfs/dbraw/zinc/93/61/02/1173936102.db2.gz DBZMANKRRORQCB-SSDOTTSWSA-N -1 1 286.311 1.601 20 0 CDADMM FC1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001592631819 1173942788 /nfs/dbraw/zinc/94/27/88/1173942788.db2.gz XXNSOOASMSNUPP-UHFFFAOYSA-N -1 1 277.307 1.019 20 0 CDADMM Fc1ccc(SCCn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001592652811 1173954775 /nfs/dbraw/zinc/95/47/75/1173954775.db2.gz UOPBMVKTYNTYHN-UHFFFAOYSA-N -1 1 291.315 1.390 20 0 CDADMM Fc1ccccc1SCCn1cnc(-c2nn[n-]n2)n1 ZINC001592661824 1173958819 /nfs/dbraw/zinc/95/88/19/1173958819.db2.gz NKHWNMXJGMIHHO-UHFFFAOYSA-N -1 1 291.315 1.390 20 0 CDADMM O=C(CC1(O)CCC1)OCc1ccc(-c2nn[n-]n2)s1 ZINC001592806888 1173990763 /nfs/dbraw/zinc/99/07/63/1173990763.db2.gz VJQQYFXUBYTUHA-UHFFFAOYSA-N -1 1 294.336 1.277 20 0 CDADMM O=C(Cn1ccnc1-c1nn[n-]n1)C1CCCCCC1 ZINC001592939110 1174006122 /nfs/dbraw/zinc/00/61/22/1174006122.db2.gz YNHZKPUAZNJLOV-UHFFFAOYSA-N -1 1 274.328 1.603 20 0 CDADMM O=C(Cn1ccnc1-c1nnn[n-]1)C1CCCCCC1 ZINC001592939110 1174006118 /nfs/dbraw/zinc/00/61/18/1174006118.db2.gz YNHZKPUAZNJLOV-UHFFFAOYSA-N -1 1 274.328 1.603 20 0 CDADMM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1csc(-c2nn[n-]n2)c1 ZINC001592973828 1174010018 /nfs/dbraw/zinc/01/00/18/1174010018.db2.gz INHLOEYMJQSRNY-NQMVMOMDSA-N -1 1 289.364 1.847 20 0 CDADMM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1cccc(F)c1-c1nnn[n-]1 ZINC001593003950 1174012635 /nfs/dbraw/zinc/01/26/35/1174012635.db2.gz JUGIGFPFVPIWFW-IJBDUVHLSA-N -1 1 287.298 1.534 20 0 CDADMM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1cccc(F)c1-c1nn[n-]n1 ZINC001593003950 1174012643 /nfs/dbraw/zinc/01/26/43/1174012643.db2.gz JUGIGFPFVPIWFW-IJBDUVHLSA-N -1 1 287.298 1.534 20 0 CDADMM O=C(NC[C@H]1CC=CCC1)c1coc(-c2nnn[n-]2)c1 ZINC001593028304 1174015741 /nfs/dbraw/zinc/01/57/41/1174015741.db2.gz COXBHGIKYFWQTH-VIFPVBQESA-N -1 1 273.296 1.546 20 0 CDADMM O=C(NC[C@H]1CC=CCC1)c1coc(-c2nn[n-]n2)c1 ZINC001593028304 1174015746 /nfs/dbraw/zinc/01/57/46/1174015746.db2.gz COXBHGIKYFWQTH-VIFPVBQESA-N -1 1 273.296 1.546 20 0 CDADMM O=C(NCCCC(F)F)c1cccc(F)c1-c1nnn[n-]1 ZINC001593066777 1174019898 /nfs/dbraw/zinc/01/98/98/1174019898.db2.gz LVIRZOXIUDTJBV-UHFFFAOYSA-N -1 1 299.256 1.781 20 0 CDADMM O=C(NCCCC(F)F)c1cccc(F)c1-c1nn[n-]n1 ZINC001593066777 1174019904 /nfs/dbraw/zinc/01/99/04/1174019904.db2.gz LVIRZOXIUDTJBV-UHFFFAOYSA-N -1 1 299.256 1.781 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@]12C[C@@H]1CCCC2 ZINC001593197547 1174033106 /nfs/dbraw/zinc/03/31/06/1174033106.db2.gz LHVCIHGAPHSOKC-MADCSZMMSA-N -1 1 273.300 1.109 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@]12C[C@@H]1CCCC2 ZINC001593197547 1174033111 /nfs/dbraw/zinc/03/31/11/1174033111.db2.gz LHVCIHGAPHSOKC-MADCSZMMSA-N -1 1 273.300 1.109 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1ccncc1F ZINC001593245535 1174040215 /nfs/dbraw/zinc/04/02/15/1174040215.db2.gz RZTFBJULYQAMIA-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1ccncc1F ZINC001593245535 1174040218 /nfs/dbraw/zinc/04/02/18/1174040218.db2.gz RZTFBJULYQAMIA-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(OC[C@@H]1CCCCO1)c1ccsc1-c1nnn[n-]1 ZINC001593284400 1174052338 /nfs/dbraw/zinc/05/23/38/1174052338.db2.gz NLSFFGPOWAXPHO-QMMMGPOBSA-N -1 1 294.336 1.654 20 0 CDADMM O=C(OC[C@@H]1CCCCO1)c1ccsc1-c1nn[n-]n1 ZINC001593284400 1174052341 /nfs/dbraw/zinc/05/23/41/1174052341.db2.gz NLSFFGPOWAXPHO-QMMMGPOBSA-N -1 1 294.336 1.654 20 0 CDADMM O=C(OC[C@H]1CC=CCC1)c1coc(-c2nnn[n-]2)c1 ZINC001593284773 1174052707 /nfs/dbraw/zinc/05/27/07/1174052707.db2.gz NSFXHTDWJWHMEQ-VIFPVBQESA-N -1 1 274.280 1.973 20 0 CDADMM O=C(OC[C@H]1CC=CCC1)c1coc(-c2nn[n-]n2)c1 ZINC001593284773 1174052716 /nfs/dbraw/zinc/05/27/16/1174052716.db2.gz NSFXHTDWJWHMEQ-VIFPVBQESA-N -1 1 274.280 1.973 20 0 CDADMM O=C(OCc1cnns1)c1ccsc1-c1nnn[n-]1 ZINC001593305513 1174058925 /nfs/dbraw/zinc/05/89/25/1174058925.db2.gz RODONSMNGJBNJQ-UHFFFAOYSA-N -1 1 294.321 1.137 20 0 CDADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CC2(CC2)C1 ZINC001593313849 1174063211 /nfs/dbraw/zinc/06/32/11/1174063211.db2.gz GVOAQPAZFGCEKK-UHFFFAOYSA-N -1 1 294.318 1.584 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@H]1C1CC1 ZINC001593348580 1174067344 /nfs/dbraw/zinc/06/73/44/1174067344.db2.gz FYCBJUDDFFSXSA-LBPRGKRZSA-N -1 1 284.323 1.276 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@H]1C1CC1 ZINC001593348580 1174067350 /nfs/dbraw/zinc/06/73/50/1174067350.db2.gz FYCBJUDDFFSXSA-LBPRGKRZSA-N -1 1 284.323 1.276 20 0 CDADMM OC[C@H](CC1CCCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001593523346 1174101591 /nfs/dbraw/zinc/10/15/91/1174101591.db2.gz VRCWAYFQYZTPJJ-JTQLQIEISA-N -1 1 289.343 1.010 20 0 CDADMM OC[C@H](CC1CCCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001593523346 1174101594 /nfs/dbraw/zinc/10/15/94/1174101594.db2.gz VRCWAYFQYZTPJJ-JTQLQIEISA-N -1 1 289.343 1.010 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC001593549713 1174121791 /nfs/dbraw/zinc/12/17/91/1174121791.db2.gz BUBQFCSXSFQZAY-ZYHUDNBSSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC001593549713 1174121795 /nfs/dbraw/zinc/12/17/95/1174121795.db2.gz BUBQFCSXSFQZAY-ZYHUDNBSSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(CN(c2cnc(-c3nnn[n-]3)cn2)C2CC2)co1 ZINC001593554723 1174128717 /nfs/dbraw/zinc/12/87/17/1174128717.db2.gz RLFRSIGPHJOGAD-UHFFFAOYSA-N -1 1 283.295 1.419 20 0 CDADMM c1cc(CN(c2cnc(-c3nn[n-]n3)cn2)C2CC2)co1 ZINC001593554723 1174128721 /nfs/dbraw/zinc/12/87/21/1174128721.db2.gz RLFRSIGPHJOGAD-UHFFFAOYSA-N -1 1 283.295 1.419 20 0 CDADMM c1cc(N2CC[C@H](C3CCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001593557696 1174131306 /nfs/dbraw/zinc/13/13/06/1174131306.db2.gz RWCKWJRJICBOMY-NSHDSACASA-N -1 1 270.340 1.888 20 0 CDADMM c1cc(N2CC[C@H](C3CCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001593557696 1174131313 /nfs/dbraw/zinc/13/13/13/1174131313.db2.gz RWCKWJRJICBOMY-NSHDSACASA-N -1 1 270.340 1.888 20 0 CDADMM c1cc(NCC2(CC3CC3)CC2)cc(-c2nnn[n-]2)n1 ZINC001593559002 1174133003 /nfs/dbraw/zinc/13/30/03/1174133003.db2.gz RXYJSTJUCZOMDW-UHFFFAOYSA-N -1 1 270.340 1.676 20 0 CDADMM c1cc(NCC2(CC3CC3)CC2)cc(-c2nn[n-]n2)n1 ZINC001593559002 1174133009 /nfs/dbraw/zinc/13/30/09/1174133009.db2.gz RXYJSTJUCZOMDW-UHFFFAOYSA-N -1 1 270.340 1.676 20 0 CDADMM c1cc2c(s1)CN(c1ccnc(-c3nnn[n-]3)c1)CC2 ZINC001593559272 1174133687 /nfs/dbraw/zinc/13/36/87/1174133687.db2.gz UCGZHTPJRPMLKX-UHFFFAOYSA-N -1 1 284.348 1.886 20 0 CDADMM c1cc2c(s1)CN(c1ccnc(-c3nn[n-]n3)c1)CC2 ZINC001593559272 1174133688 /nfs/dbraw/zinc/13/36/88/1174133688.db2.gz UCGZHTPJRPMLKX-UHFFFAOYSA-N -1 1 284.348 1.886 20 0 CDADMM c1cc(NC[C@H]2C[C@H]2C2CCCC2)cc(-c2nnn[n-]2)n1 ZINC001593557966 1174133710 /nfs/dbraw/zinc/13/37/10/1174133710.db2.gz FBTCYLRDMNZXKT-YPMHNXCESA-N -1 1 284.367 1.922 20 0 CDADMM c1cc(NC[C@H]2C[C@H]2C2CCCC2)cc(-c2nn[n-]n2)n1 ZINC001593557966 1174133712 /nfs/dbraw/zinc/13/37/12/1174133712.db2.gz FBTCYLRDMNZXKT-YPMHNXCESA-N -1 1 284.367 1.922 20 0 CDADMM c1cc(N[C@@H]2CCCC3(CC3)C2)nc(-c2nn[n-]n2)n1 ZINC001593558093 1174133821 /nfs/dbraw/zinc/13/38/21/1174133821.db2.gz ILVKALFNKIYWKZ-SECBINFHSA-N -1 1 271.328 1.213 20 0 CDADMM c1cc2cc(Oc3ccnc(-c4nn[n-]n4)n3)ccc2cn1 ZINC001593564499 1174137601 /nfs/dbraw/zinc/13/76/01/1174137601.db2.gz HXOLJUYQQBQVTO-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1ccc([C@@H]2C[C@H]2Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001593577689 1174145963 /nfs/dbraw/zinc/14/59/63/1174145963.db2.gz YZDFLSTZAMBXNR-WDEREUQCSA-N -1 1 279.307 1.625 20 0 CDADMM c1ccc([C@@H]2C[C@H]2Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001593577689 1174145973 /nfs/dbraw/zinc/14/59/73/1174145973.db2.gz YZDFLSTZAMBXNR-WDEREUQCSA-N -1 1 279.307 1.625 20 0 CDADMM c1c(-c2nn[n-]n2)nnn1C[C@H]1CCc2ccccc2C1 ZINC001593580182 1174147492 /nfs/dbraw/zinc/14/74/92/1174147492.db2.gz AAVPSTKWKLAMNU-JTQLQIEISA-N -1 1 281.323 1.263 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(N[C@H](C2CC2)C2CCC2)n1 ZINC001593592139 1174159588 /nfs/dbraw/zinc/15/95/88/1174159588.db2.gz TZQSPHCHBDBWDG-NSHDSACASA-N -1 1 271.328 1.647 20 0 CDADMM c1cc(-c2nc(-c3cncs3)no2)oc1-c1nnn[n-]1 ZINC001593592802 1174159638 /nfs/dbraw/zinc/15/96/38/1174159638.db2.gz DNAVCOVSFHXYRG-UHFFFAOYSA-N -1 1 287.264 1.633 20 0 CDADMM c1cc(-c2nc(-c3cncs3)no2)oc1-c1nn[n-]n1 ZINC001593592802 1174159641 /nfs/dbraw/zinc/15/96/41/1174159641.db2.gz DNAVCOVSFHXYRG-UHFFFAOYSA-N -1 1 287.264 1.633 20 0 CDADMM c1ncc(N2CCC[C@H]2C2CCCC2)nc1-c1nnn[n-]1 ZINC001593593812 1174162627 /nfs/dbraw/zinc/16/26/27/1174162627.db2.gz UVGMUXPZEANZEQ-LBPRGKRZSA-N -1 1 285.355 1.816 20 0 CDADMM c1ncc(N2CCC[C@H]2C2CCCC2)nc1-c1nn[n-]n1 ZINC001593593812 1174162631 /nfs/dbraw/zinc/16/26/31/1174162631.db2.gz UVGMUXPZEANZEQ-LBPRGKRZSA-N -1 1 285.355 1.816 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1N[C@@H]1CC12CCCCC2 ZINC001593594839 1174164819 /nfs/dbraw/zinc/16/48/19/1174164819.db2.gz IISGSLIJZCGBKD-SNVBAGLBSA-N -1 1 271.328 1.791 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1N[C@@H]1CC12CCCCC2 ZINC001593594839 1174164824 /nfs/dbraw/zinc/16/48/24/1174164824.db2.gz IISGSLIJZCGBKD-SNVBAGLBSA-N -1 1 271.328 1.791 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NCC[C@@H]1CCCCO1 ZINC001593595835 1174166456 /nfs/dbraw/zinc/16/64/56/1174166456.db2.gz YUXRMFVMDLMVLZ-VIFPVBQESA-N -1 1 275.316 1.028 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NCC[C@@H]1CCCCO1 ZINC001593595835 1174166462 /nfs/dbraw/zinc/16/64/62/1174166462.db2.gz YUXRMFVMDLMVLZ-VIFPVBQESA-N -1 1 275.316 1.028 20 0 CDADMM Cc1cc(CN2C[C@H](O)C[C@H]2C(=O)[O-])cc2cccnc12 ZINC001600192768 1174399223 /nfs/dbraw/zinc/39/92/23/1174399223.db2.gz STPSOIMLURTONT-KGLIPLIRSA-N -1 1 286.331 1.563 20 0 CDADMM Cc1cc(CNc2n[nH]c(N(C)C)n2)ccc1C(=O)[O-] ZINC001600211515 1174411381 /nfs/dbraw/zinc/41/13/81/1174411381.db2.gz AZWHYKURPKJYJV-UHFFFAOYSA-N -1 1 275.312 1.489 20 0 CDADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N(C)CCCO ZINC001600352614 1174450846 /nfs/dbraw/zinc/45/08/46/1174450846.db2.gz NEKHTVDFVATJQK-LLVKDONJSA-N -1 1 294.351 1.334 20 0 CDADMM Cc1ccc(C)c(OCCN2CCC[C@H](O)[C@@H]2C(=O)[O-])c1 ZINC001600390277 1174461467 /nfs/dbraw/zinc/46/14/67/1174461467.db2.gz ZHFBOZICPPVIBY-DZGCQCFKSA-N -1 1 293.363 1.592 20 0 CDADMM Cc1ccccc1[C@H](O)CN1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001600574294 1174510318 /nfs/dbraw/zinc/51/03/18/1174510318.db2.gz QARGBPPINLZLIU-YUTCNCBUSA-N -1 1 279.336 1.202 20 0 CDADMM Cc1nc([C@H]2CCN(Cc3cc(C(=O)[O-])n(C)c3)C2)no1 ZINC001600696345 1174567552 /nfs/dbraw/zinc/56/75/52/1174567552.db2.gz DZPKZCOSESYWOS-NSHDSACASA-N -1 1 290.323 1.404 20 0 CDADMM Cc1oc(CN(C)C[C@H]2CC3(CC3)C(=O)O2)cc1C(=O)[O-] ZINC001600842206 1174637801 /nfs/dbraw/zinc/63/78/01/1174637801.db2.gz AYUQOFAPRAAYAH-LLVKDONJSA-N -1 1 293.319 1.814 20 0 CDADMM Cn1c(Cl)ncc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC001600918412 1174665010 /nfs/dbraw/zinc/66/50/10/1174665010.db2.gz QPZYAIQBMPZIKN-NSHDSACASA-N -1 1 279.727 1.989 20 0 CDADMM Cn1c(CN[C@H]2c3ccccc3C[C@@H]2O)ccc1C(=O)[O-] ZINC001600917047 1174665268 /nfs/dbraw/zinc/66/52/68/1174665268.db2.gz ZNCPDDSNHSFRDT-GJZGRUSLSA-N -1 1 286.331 1.471 20 0 CDADMM Cn1cc(CN[C@@H](CO)CC(F)(F)F)cc1C(=O)[O-] ZINC001600952772 1174677048 /nfs/dbraw/zinc/67/70/48/1174677048.db2.gz LTSWCFFFSNRMFE-MRVPVSSYSA-N -1 1 280.246 1.126 20 0 CDADMM C[C@@H]1CN(c2ccnc(-c3nnn[n-]3)c2)C[C@@H](C)S1 ZINC000103598186 1174681337 /nfs/dbraw/zinc/68/13/37/1174681337.db2.gz VYWHZXWHUWGLSP-RKDXNWHRSA-N -1 1 276.369 1.592 20 0 CDADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)c2)C[C@@H](C)S1 ZINC000103598186 1174681340 /nfs/dbraw/zinc/68/13/40/1174681340.db2.gz VYWHZXWHUWGLSP-RKDXNWHRSA-N -1 1 276.369 1.592 20 0 CDADMM Cn1ccnc1CN1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC001600985679 1174692872 /nfs/dbraw/zinc/69/28/72/1174692872.db2.gz XXHDMBRDUMBQKZ-GRYCIOLGSA-N -1 1 263.341 1.495 20 0 CDADMM O=C(C=Cc1ccc(C(=O)[O-])o1)NCc1cnc[nH]1 ZINC001601236497 1174805102 /nfs/dbraw/zinc/80/51/02/1174805102.db2.gz FIAHSZLFLQLOBE-DUXPYHPUSA-N -1 1 261.237 1.031 20 0 CDADMM O=C([O-])[C@H](C[C@@H]1CCCOC1)NCc1ccc(CO)o1 ZINC001601644408 1174926738 /nfs/dbraw/zinc/92/67/38/1174926738.db2.gz ZCFOTOIEENZVCP-GWCFXTLKSA-N -1 1 283.324 1.131 20 0 CDADMM O=C([O-])[C@@H](c1ccccc1F)N1CC[C@@](O)(C2CC2)C1 ZINC001601697193 1174949069 /nfs/dbraw/zinc/94/90/69/1174949069.db2.gz ZZPBHTFKWCGIIK-HIFRSBDPSA-N -1 1 279.311 1.798 20 0 CDADMM O=C([O-])[C@H](c1cccnc1)N1CCCC2(C1)OCCO2 ZINC001601699065 1174952634 /nfs/dbraw/zinc/95/26/34/1174952634.db2.gz WUTOHJUJXZSCOA-LBPRGKRZSA-N -1 1 278.308 1.046 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2nnc(C3CCC3)[nH]2)C1 ZINC001601804305 1175014564 /nfs/dbraw/zinc/01/45/64/1175014564.db2.gz NBICKVIKEXZZRK-NXEZZACHSA-N -1 1 292.339 1.902 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2n[nH]c(C3CCC3)n2)C1 ZINC001601804305 1175014569 /nfs/dbraw/zinc/01/45/69/1175014569.db2.gz NBICKVIKEXZZRK-NXEZZACHSA-N -1 1 292.339 1.902 20 0 CDADMM O=C([O-])[C@@H]1CCN(Cc2ccon2)[C@H]2CCC[C@H]21 ZINC001601827954 1175026329 /nfs/dbraw/zinc/02/63/29/1175026329.db2.gz MEVWJOTWCZQYCH-TUAOUCFPSA-N -1 1 250.298 1.750 20 0 CDADMM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC001602105208 1175131479 /nfs/dbraw/zinc/13/14/79/1175131479.db2.gz FCWCWBNYIQKNII-GARJFASQSA-N -1 1 291.351 1.274 20 0 CDADMM O=C([O-])Cc1csc(NC(=O)c2cccc(F)c2O)n1 ZINC001602153514 1175144718 /nfs/dbraw/zinc/14/47/18/1175144718.db2.gz WFBXOFCVUFCTGB-UHFFFAOYSA-N -1 1 296.279 1.867 20 0 CDADMM O=C([O-])c1c[nH]c(CN2CCC[C@H](O)C2)c1C1CC1 ZINC001602234472 1175175363 /nfs/dbraw/zinc/17/53/63/1175175363.db2.gz UTGRCERWRMYFDF-JTQLQIEISA-N -1 1 264.325 1.547 20 0 CDADMM O=C([O-])c1cc(C2CN(C[C@@H](O)c3ccccc3)C2)[nH]n1 ZINC001602254063 1175181910 /nfs/dbraw/zinc/18/19/10/1175181910.db2.gz LPKJYKJRTOOFNU-CQSZACIVSA-N -1 1 287.319 1.241 20 0 CDADMM O=C([O-])c1cc(F)cc(C(=O)NCCN2CC=CCC2)c1 ZINC001602269837 1175189959 /nfs/dbraw/zinc/18/99/59/1175189959.db2.gz QNSJJILIJKBNTH-UHFFFAOYSA-N -1 1 292.310 1.516 20 0 CDADMM O=C([O-])c1ccc(C(=O)Nc2cnn(-c3ccncc3)c2)[nH]1 ZINC001602325308 1175205666 /nfs/dbraw/zinc/20/56/66/1175205666.db2.gz GIPRQVSCCVPNIK-UHFFFAOYSA-N -1 1 297.274 1.546 20 0 CDADMM O=C([O-])c1ccccc1OCC[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC001602473224 1175252140 /nfs/dbraw/zinc/25/21/40/1175252140.db2.gz QKMTVHPRKIWBPU-AWEZNQCLSA-N -1 1 297.282 1.262 20 0 CDADMM O=C([O-])c1cnc(CN2CCC[C@@H](c3cccnc3)C2)cn1 ZINC001602520629 1175267935 /nfs/dbraw/zinc/26/79/35/1175267935.db2.gz SGHZUMARJPBJDY-CYBMUJFWSA-N -1 1 298.346 1.949 20 0 CDADMM O=C([O-])c1cnoc1CN1CCC[C@H](c2ncccn2)C1 ZINC001602547733 1175286878 /nfs/dbraw/zinc/28/68/78/1175286878.db2.gz XVVJFQVAEHZMMJ-JTQLQIEISA-N -1 1 288.307 1.542 20 0 CDADMM C1=CO[C@H](CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CC1 ZINC001602749352 1175385696 /nfs/dbraw/zinc/38/56/96/1175385696.db2.gz LNWXFBQSBRSVRT-JTQLQIEISA-N -1 1 299.338 1.639 20 0 CDADMM C1=CO[C@H](CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CC1 ZINC001602749352 1175385699 /nfs/dbraw/zinc/38/56/99/1175385699.db2.gz LNWXFBQSBRSVRT-JTQLQIEISA-N -1 1 299.338 1.639 20 0 CDADMM CC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001602957816 1175458952 /nfs/dbraw/zinc/45/89/52/1175458952.db2.gz ILMCMMWCADHTQP-VIFPVBQESA-N -1 1 289.295 1.043 20 0 CDADMM CC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001602957816 1175458960 /nfs/dbraw/zinc/45/89/60/1175458960.db2.gz ILMCMMWCADHTQP-VIFPVBQESA-N -1 1 289.295 1.043 20 0 CDADMM C/C(=C\CN1CCCN(c2ncccc2F)CC1)C(=O)[O-] ZINC001602962905 1175462351 /nfs/dbraw/zinc/46/23/51/1175462351.db2.gz QEZQOYIGWAADGP-LFYBBSHMSA-N -1 1 293.342 1.764 20 0 CDADMM CC(C)[C@@H]1C[C@H]1C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001603245445 1175526060 /nfs/dbraw/zinc/52/60/60/1175526060.db2.gz ZWGSEWBJUOPQAM-VHSXEESVSA-N -1 1 276.296 1.795 20 0 CDADMM CC(C)[C@@H]1C[C@H]1C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001603245445 1175526067 /nfs/dbraw/zinc/52/60/67/1175526067.db2.gz ZWGSEWBJUOPQAM-VHSXEESVSA-N -1 1 276.296 1.795 20 0 CDADMM C[C@@H](CCCO)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001603477699 1175556721 /nfs/dbraw/zinc/55/67/21/1175556721.db2.gz XRZPHFPAEDPYDH-QMMMGPOBSA-N -1 1 296.762 1.736 20 0 CDADMM C[C@@H](CCCO)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001603477699 1175556728 /nfs/dbraw/zinc/55/67/28/1175556728.db2.gz XRZPHFPAEDPYDH-QMMMGPOBSA-N -1 1 296.762 1.736 20 0 CDADMM C[C@H](CC1CCC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001603462860 1175556971 /nfs/dbraw/zinc/55/69/71/1175556971.db2.gz BUDRSLFPPPXFBM-SECBINFHSA-N -1 1 258.329 1.674 20 0 CDADMM C[C@H](CC1CCC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001603462860 1175556976 /nfs/dbraw/zinc/55/69/76/1175556976.db2.gz BUDRSLFPPPXFBM-SECBINFHSA-N -1 1 258.329 1.674 20 0 CDADMM C[C@H](CNc1ncncc1-c1nn[n-]n1)CC(F)(F)F ZINC001603565443 1175565148 /nfs/dbraw/zinc/56/51/48/1175565148.db2.gz XECZFUJKLNDJQB-LURJTMIESA-N -1 1 287.249 1.657 20 0 CDADMM CC(C)(CNC(=O)N1CCN(CC2CC2)CC1)CC(=O)[O-] ZINC001603626834 1175581186 /nfs/dbraw/zinc/58/11/86/1175581186.db2.gz UQJWYFXLEIJAGA-UHFFFAOYSA-N -1 1 297.399 1.225 20 0 CDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccns1 ZINC001603684190 1175597275 /nfs/dbraw/zinc/59/72/75/1175597275.db2.gz VEZVJTJDVNOHQT-ZCFIWIBFSA-N -1 1 274.313 1.286 20 0 CDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccns1 ZINC001603684190 1175597284 /nfs/dbraw/zinc/59/72/84/1175597284.db2.gz VEZVJTJDVNOHQT-ZCFIWIBFSA-N -1 1 274.313 1.286 20 0 CDADMM Cc1c(-c2nnn[n-]2)c(NC(=O)C2=C(C)CCC2)nn1C ZINC001603826261 1175644913 /nfs/dbraw/zinc/64/49/13/1175644913.db2.gz HMQIGQZLLPMYMN-UHFFFAOYSA-N -1 1 287.327 1.348 20 0 CDADMM Cc1c(-c2nn[n-]n2)c(NC(=O)C2=C(C)CCC2)nn1C ZINC001603826261 1175644916 /nfs/dbraw/zinc/64/49/16/1175644916.db2.gz HMQIGQZLLPMYMN-UHFFFAOYSA-N -1 1 287.327 1.348 20 0 CDADMM C[C@@H]1C[C@@H]1C(=O)COC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001603864851 1175660264 /nfs/dbraw/zinc/66/02/64/1175660264.db2.gz MGIYPWAPHZSZFS-SVRRBLITSA-N -1 1 292.320 1.310 20 0 CDADMM C[C@@H]1C[C@@H]1C(=O)COC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603864851 1175660273 /nfs/dbraw/zinc/66/02/73/1175660273.db2.gz MGIYPWAPHZSZFS-SVRRBLITSA-N -1 1 292.320 1.310 20 0 CDADMM CC[C@H](C)[C@H](CNc1ncncc1-c1nn[n-]n1)OC ZINC001603998097 1175714469 /nfs/dbraw/zinc/71/44/69/1175714469.db2.gz BWHXYFCCOMYXJC-WPRPVWTQSA-N -1 1 277.332 1.130 20 0 CDADMM CC[C@@H](CO)N(C)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001604041098 1175731130 /nfs/dbraw/zinc/73/11/30/1175731130.db2.gz XTZXFAVQVPFZTJ-JTQLQIEISA-N -1 1 298.350 1.622 20 0 CDADMM CC[C@@H](CO)N(C)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001604041098 1175731134 /nfs/dbraw/zinc/73/11/34/1175731134.db2.gz XTZXFAVQVPFZTJ-JTQLQIEISA-N -1 1 298.350 1.622 20 0 CDADMM CC[C@@H](F)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001604044940 1175731841 /nfs/dbraw/zinc/73/18/41/1175731841.db2.gz BOUGMGAHWGJCSB-RXMQYKEDSA-N -1 1 270.293 1.318 20 0 CDADMM CC[C@@H](F)C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001604044940 1175731843 /nfs/dbraw/zinc/73/18/43/1175731843.db2.gz BOUGMGAHWGJCSB-RXMQYKEDSA-N -1 1 270.293 1.318 20 0 CDADMM C[C@H](/C=C/C(=O)[O-])NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001604058654 1175739140 /nfs/dbraw/zinc/73/91/40/1175739140.db2.gz FJYLJOCHINNNNQ-WEMAUNJASA-N -1 1 286.291 1.231 20 0 CDADMM O=C([O-])c1cccc(S(=O)(=O)Nc2cncc(F)c2)c1 ZINC000312527526 1186701395 /nfs/dbraw/zinc/70/13/95/1186701395.db2.gz GWDIGPXFBXQUCA-UHFFFAOYSA-N -1 1 296.279 1.720 20 0 CDADMM Cc1c(=O)n(CCN2CCOCC2)[n-]c1-c1ccccc1 ZINC001771841712 1186899737 /nfs/dbraw/zinc/89/97/37/1186899737.db2.gz CRVUFYRDOIHQKP-CYBMUJFWSA-N -1 1 287.363 1.201 20 0 CDADMM Fc1ccc(OCc2ccccn2)c(-c2nn[n-]n2)n1 ZINC001606322811 1163860566 /nfs/dbraw/zinc/86/05/66/1163860566.db2.gz IKURJAFAHKWVBV-UHFFFAOYSA-N -1 1 272.243 1.375 20 0 CDADMM CO[C@@H](C)c1nc(CNC2(CC(=O)[O-])CC2)cs1 ZINC001606665393 1163953162 /nfs/dbraw/zinc/95/31/62/1163953162.db2.gz MSAVFYGPRLVEPD-QMMMGPOBSA-N -1 1 270.354 1.947 20 0 CDADMM COC[C@]1(C(=O)[O-])CCCN1Cc1cnn(C)c1C1CC1 ZINC001606834062 1164009365 /nfs/dbraw/zinc/00/93/65/1164009365.db2.gz IKJYCUKWIMGPRB-HNNXBMFYSA-N -1 1 293.367 1.363 20 0 CDADMM O=C(N[C@@H]1CCCC[C@H]1F)c1ccsc1-c1nnn[n-]1 ZINC001606865863 1164019006 /nfs/dbraw/zinc/01/90/06/1164019006.db2.gz KOBWFFVIVXAMNG-RKDXNWHRSA-N -1 1 295.343 1.939 20 0 CDADMM O=C(N[C@@H]1CCCC[C@H]1F)c1ccsc1-c1nn[n-]n1 ZINC001606865863 1164019012 /nfs/dbraw/zinc/01/90/12/1164019012.db2.gz KOBWFFVIVXAMNG-RKDXNWHRSA-N -1 1 295.343 1.939 20 0 CDADMM O=C(OCCC(F)(F)F)c1ccnc(-c2nnn[n-]2)c1 ZINC001606967903 1164043803 /nfs/dbraw/zinc/04/38/03/1164043803.db2.gz RJVODBXOSJHVBK-UHFFFAOYSA-N -1 1 287.201 1.371 20 0 CDADMM O=C(OCCC(F)(F)F)c1ccnc(-c2nn[n-]n2)c1 ZINC001606967903 1164043810 /nfs/dbraw/zinc/04/38/10/1164043810.db2.gz RJVODBXOSJHVBK-UHFFFAOYSA-N -1 1 287.201 1.371 20 0 CDADMM O=C(OCCCCCF)c1ccc(-c2nnn[n-]2)nc1 ZINC001606967984 1164044278 /nfs/dbraw/zinc/04/42/78/1164044278.db2.gz CFSGWZSIHVETKX-UHFFFAOYSA-N -1 1 279.275 1.558 20 0 CDADMM O=C(OCCCCCF)c1ccc(-c2nn[n-]n2)nc1 ZINC001606967984 1164044284 /nfs/dbraw/zinc/04/42/84/1164044284.db2.gz CFSGWZSIHVETKX-UHFFFAOYSA-N -1 1 279.275 1.558 20 0 CDADMM O=C(OCc1cncs1)c1sccc1-c1nn[n-]n1 ZINC001606985785 1164050442 /nfs/dbraw/zinc/05/04/42/1164050442.db2.gz YSEZCCFVXHOABO-UHFFFAOYSA-N -1 1 293.333 1.742 20 0 CDADMM COc1cc(CNCc2ccc(C(=O)[O-])[nH]2)ccn1 ZINC001607163960 1164124255 /nfs/dbraw/zinc/12/42/55/1164124255.db2.gz MUWMQMWUFIGCDR-UHFFFAOYSA-N -1 1 261.281 1.406 20 0 CDADMM COc1ccc(C(=O)[O-])cc1CN[C@@H]1C(=O)NCC[C@H]1C ZINC001607215520 1164131538 /nfs/dbraw/zinc/13/15/38/1164131538.db2.gz CDEKSQMWXCLBDI-RNCFNFMXSA-N -1 1 292.335 1.008 20 0 CDADMM Cc1cn[nH]c1C[N@@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC001607556619 1164224875 /nfs/dbraw/zinc/22/48/75/1164224875.db2.gz RSBDMECWBLQZRV-JGPRNRPPSA-N -1 1 251.330 1.792 20 0 CDADMM Cc1cc(CNCCc2ncc(C(=O)[O-])s2)no1 ZINC001607649520 1164258510 /nfs/dbraw/zinc/25/85/10/1164258510.db2.gz GHURHMFIAOZBJF-UHFFFAOYSA-N -1 1 267.310 1.470 20 0 CDADMM Cc1coc(C)c1C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001607918405 1164338733 /nfs/dbraw/zinc/33/87/33/1164338733.db2.gz ROUPJAMBVCJJGZ-LLVKDONJSA-N -1 1 294.351 1.517 20 0 CDADMM Cc1nnc([C@H](C)OC(=O)c2cccc(CC(=O)[O-])c2)[nH]1 ZINC001607935486 1164343378 /nfs/dbraw/zinc/34/33/78/1164343378.db2.gz POMGZRQUCWDMPG-QMMMGPOBSA-N -1 1 289.291 1.658 20 0 CDADMM Cc1nn(-c2ccccn2)c(C)c1CN[C@H](CF)C(=O)[O-] ZINC001607995936 1164368283 /nfs/dbraw/zinc/36/82/83/1164368283.db2.gz IHNVYZZGKRHNIN-GFCCVEGCSA-N -1 1 292.314 1.396 20 0 CDADMM Cc1noc([C@@H](C)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)n1 ZINC001608021233 1164380098 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CDADMM Cc1ccc([O-])c(C(=O)N[C@@H]2C(=O)NCc3ccccc32)n1 ZINC001195330070 924574934 /nfs/dbraw/zinc/57/49/34/924574934.db2.gz CAMZUXBQAVKEPY-ZDUSSCGKSA-N -1 1 297.314 1.197 20 0 CDADMM CCOC(=O)NC(=S)[N-]c1cccnc1-n1cccn1 ZINC001195449103 924596021 /nfs/dbraw/zinc/59/60/21/924596021.db2.gz DXMGUGOSEKBERT-UHFFFAOYSA-N -1 1 291.336 1.710 20 0 CDADMM CCOC(=O)NC(=S)[N-]c1cnc(Cl)nc1 ZINC001195455484 924600724 /nfs/dbraw/zinc/60/07/24/924600724.db2.gz VQELPHCTNLYOOR-UHFFFAOYSA-N -1 1 260.706 1.573 20 0 CDADMM CCOC(=O)NC(=S)[N-]c1c2c(ccc1C)C(=O)NC2 ZINC001195483475 924623131 /nfs/dbraw/zinc/62/31/31/924623131.db2.gz VNHGXGPJQTXBOY-UHFFFAOYSA-N -1 1 293.348 1.681 20 0 CDADMM O=S(=O)([N-]c1cccc(F)c1CO)c1ccc(O)cc1 ZINC001195802447 924738292 /nfs/dbraw/zinc/73/82/92/924738292.db2.gz DAKZAISMEBFEMK-UHFFFAOYSA-N -1 1 297.307 1.824 20 0 CDADMM CCOC(=O)CS(=O)(=O)[N-]c1cc(C)c(F)c(C)c1 ZINC001195975178 924774777 /nfs/dbraw/zinc/77/47/77/924774777.db2.gz VYJDSTUTEJCVBM-UHFFFAOYSA-N -1 1 289.328 1.747 20 0 CDADMM O=C(c1c[nH]c(=S)[n-]c1=O)N1C2CCC1CC2 ZINC001196015902 924786719 /nfs/dbraw/zinc/78/67/19/924786719.db2.gz KJQXNMHIHRTECB-UHFFFAOYSA-N -1 1 251.311 1.238 20 0 CDADMM COc1cc(F)ncc1[N-]S(=O)(=O)Cc1ccccn1 ZINC001197790312 925219861 /nfs/dbraw/zinc/21/98/61/925219861.db2.gz OGLVNGGTAVNPCT-UHFFFAOYSA-N -1 1 297.311 1.566 20 0 CDADMM COc1cnc(C(=O)[N-]c2nonc2C)c(F)c1 ZINC001197802838 925224062 /nfs/dbraw/zinc/22/40/62/925224062.db2.gz GZJAVKWPHIPOMA-UHFFFAOYSA-N -1 1 252.205 1.173 20 0 CDADMM COCCNC(=S)Nc1c(F)cc([O-])cc1F ZINC001197868346 925266389 /nfs/dbraw/zinc/26/63/89/925266389.db2.gz WTEIYYSEROXJPS-UHFFFAOYSA-N -1 1 262.281 1.603 20 0 CDADMM O=C([O-])[C@H]1CCCN(C(=O)c2cnc(C3CC3)[nH]2)C1 ZINC001119539372 925370788 /nfs/dbraw/zinc/37/07/88/925370788.db2.gz RRIVZDHTKIFQGN-VIFPVBQESA-N -1 1 263.297 1.224 20 0 CDADMM O=C(Nc1ccc2[nH][n-]c(=O)c2c1)C(=O)c1ccco1 ZINC001142284340 937000418 /nfs/dbraw/zinc/00/04/18/937000418.db2.gz YHOXJLGAVWRVBC-UHFFFAOYSA-N -1 1 271.232 1.683 20 0 CDADMM CN1C(=O)Cc2cc(CNC(=O)c3ccc([O-])cn3)ccc21 ZINC001413789683 937011213 /nfs/dbraw/zinc/01/12/13/937011213.db2.gz QBYDDJWZSFQJEX-UHFFFAOYSA-N -1 1 297.314 1.236 20 0 CDADMM CCCn1nccc1NC(=O)CN[C@H](C(=O)[O-])[C@@H](C)CC ZINC000823033275 925668709 /nfs/dbraw/zinc/66/87/09/925668709.db2.gz OFQBMRUFHISEAP-GWCFXTLKSA-N -1 1 296.371 1.321 20 0 CDADMM CSC[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000824887339 925842477 /nfs/dbraw/zinc/84/24/77/925842477.db2.gz JHEKFCVWXYHVFA-ZETCQYMHSA-N -1 1 267.354 1.541 20 0 CDADMM Cc1nsc(C)c1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000825318625 925864308 /nfs/dbraw/zinc/86/43/08/925864308.db2.gz XUKZHDXOEFRBIK-UHFFFAOYSA-N -1 1 292.368 1.293 20 0 CDADMM CN1CCCC[C@H](C(=O)Nc2cc([O-])c(F)cc2F)C1=O ZINC000827726760 925961793 /nfs/dbraw/zinc/96/17/93/925961793.db2.gz HMYMCEAPZDEKTL-MRVPVSSYSA-N -1 1 298.289 1.867 20 0 CDADMM NC(=O)c1ccc(NC(=O)NC(=O)c2ccccc2)cc1[O-] ZINC001202459237 926576693 /nfs/dbraw/zinc/57/66/93/926576693.db2.gz QPGUUEXNEZNUQZ-UHFFFAOYSA-N -1 1 299.286 1.453 20 0 CDADMM O=C(NCc1ccncn1)c1ccc2cccnc2c1[O-] ZINC001149326594 937169440 /nfs/dbraw/zinc/16/94/40/937169440.db2.gz JYZUACLCHSGDAA-UHFFFAOYSA-N -1 1 280.287 1.660 20 0 CDADMM C[C@@H]1CCN(C(=O)C(C)(C)C)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856419982 928593954 /nfs/dbraw/zinc/59/39/54/928593954.db2.gz OVBKSLNEQSUCEG-BDAKNGLRSA-N -1 1 294.317 1.948 20 0 CDADMM Cc1cc(C=O)c([O-])c(C(=O)NC[C@H]2C[C@@H](O)C2)c1 ZINC001151200909 937274142 /nfs/dbraw/zinc/27/41/42/937274142.db2.gz FHSLEBTXPXQAPQ-JGZJWPJOSA-N -1 1 263.293 1.014 20 0 CDADMM Cc1cc2c(c(-c3cnn(C(C)C)c3)n1)C(=O)[N-]C2=O ZINC001242436738 928814228 /nfs/dbraw/zinc/81/42/28/928814228.db2.gz ROUALYMAVMUBJN-UHFFFAOYSA-N -1 1 270.292 1.718 20 0 CDADMM COCCN(CC(C)C)c1cc(Cl)[n-]c(=O)n1 ZINC000858454194 928864698 /nfs/dbraw/zinc/86/46/98/928864698.db2.gz XUPRCKONKSWFKF-UHFFFAOYSA-N -1 1 259.737 1.944 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2ncc3ncsc3n2)[n-]1 ZINC001159198567 929787731 /nfs/dbraw/zinc/78/77/31/929787731.db2.gz QVXLTTBDUIJHET-UHFFFAOYSA-N -1 1 286.280 1.202 20 0 CDADMM O=C(c1cc(=O)c2cccc(O)c2[n-]1)N1CC(C(F)F)C1 ZINC001152680410 937379766 /nfs/dbraw/zinc/37/97/66/937379766.db2.gz XXPAQTHGAUDPPP-UHFFFAOYSA-N -1 1 294.257 1.983 20 0 CDADMM C[C@@H]1C(=O)CCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000885053164 930669583 /nfs/dbraw/zinc/66/95/83/930669583.db2.gz DTVCZTWIMCSIAM-SECBINFHSA-N -1 1 261.277 1.155 20 0 CDADMM O=C(NCCCC[P@@](=O)([O-])O)c1cc2ccoc2cn1 ZINC001153316517 937438593 /nfs/dbraw/zinc/43/85/93/937438593.db2.gz PYUUXEVQFFXVPS-UHFFFAOYSA-N -1 1 298.235 1.516 20 0 CDADMM COC[C@]1(C(=O)[O-])CCCN1Cc1cc2cccnc2o1 ZINC000818630099 930730174 /nfs/dbraw/zinc/73/01/74/930730174.db2.gz SJLPLWXHDJZSAD-HNNXBMFYSA-N -1 1 290.319 1.893 20 0 CDADMM Cn1nncc1NC(=O)c1c([O-])ccc2ccccc21 ZINC001153499353 937448488 /nfs/dbraw/zinc/44/84/88/937448488.db2.gz SPDVRIOSFPPGAH-UHFFFAOYSA-N -1 1 268.276 1.926 20 0 CDADMM O=C(C[C@@H]1CCCO1)NCCc1c(F)cc([O-])cc1F ZINC000886264915 930844361 /nfs/dbraw/zinc/84/43/61/930844361.db2.gz PYNQPSRDWINVGO-JTQLQIEISA-N -1 1 285.290 1.898 20 0 CDADMM Cc1ccc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)nc1 ZINC000819969047 930859853 /nfs/dbraw/zinc/85/98/53/930859853.db2.gz HEZXDCAWCANLHZ-JTQLQIEISA-N -1 1 288.307 1.498 20 0 CDADMM CC[C@@H]1C(=O)NCCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000886511731 930897275 /nfs/dbraw/zinc/89/72/75/930897275.db2.gz DAUSNIRXHVJAKA-LLVKDONJSA-N -1 1 296.754 1.786 20 0 CDADMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cc2c[nH]ccc-2n1 ZINC001153811394 937472769 /nfs/dbraw/zinc/47/27/69/937472769.db2.gz KVGGFYZDHPQBDB-UHFFFAOYSA-N -1 1 299.338 1.374 20 0 CDADMM O=C(NCc1cc[nH]c1)c1c[n-]c2cccnc2c1=O ZINC001153862089 937478171 /nfs/dbraw/zinc/47/81/71/937478171.db2.gz PAZLOFHJGLMXQA-UHFFFAOYSA-N -1 1 268.276 1.181 20 0 CDADMM O=C(N[C@@H]1CC12CCC2)c1c[n-]c2cccnc2c1=O ZINC001153863467 937478586 /nfs/dbraw/zinc/47/85/86/937478586.db2.gz OVXRWFIMWRLQQI-LLVKDONJSA-N -1 1 269.304 1.596 20 0 CDADMM C[C@H]1CCN[C@H](c2nc(-c3ccc(C(=O)[O-])[nH]3)no2)C1 ZINC000822635176 931188968 /nfs/dbraw/zinc/18/89/68/931188968.db2.gz RTPCZYZVOHLKEE-XVKPBYJWSA-N -1 1 276.296 1.824 20 0 CDADMM CCCCOC(=O)[C@H](C)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000844241546 931565817 /nfs/dbraw/zinc/56/58/17/931565817.db2.gz WIIBZEZCEXFAFM-SRVKXCTJSA-N -1 1 271.357 1.761 20 0 CDADMM O=C(CSc1ncc[nH]1)c1ccc([O-])cc1O ZINC000231166319 931627490 /nfs/dbraw/zinc/62/74/90/931627490.db2.gz KLLBTDYOJCMUQD-UHFFFAOYSA-N -1 1 250.279 1.796 20 0 CDADMM CC(=O)N1CCN(Cc2c(F)cc([O-])cc2F)CC1 ZINC001144544779 931882174 /nfs/dbraw/zinc/88/21/74/931882174.db2.gz GXZCEMFWUOKXRP-UHFFFAOYSA-N -1 1 270.279 1.335 20 0 CDADMM CO[C@@H]1CN(Cc2cc(F)c([O-])cc2F)C[C@@H]1OC ZINC001144646967 931940444 /nfs/dbraw/zinc/94/04/44/931940444.db2.gz SHXJQKJZKYYSME-BETUJISGSA-N -1 1 273.279 1.516 20 0 CDADMM C[C@@]1(CO)CN(Cc2cc(F)c([O-])cc2F)CC[C@H]1O ZINC001144647386 931940507 /nfs/dbraw/zinc/94/05/07/931940507.db2.gz FDWWGCKLFHPQFG-KGLIPLIRSA-N -1 1 287.306 1.236 20 0 CDADMM Cc1nccc(CNC(=O)c2cnc(C3CC3)[n-]c2=O)n1 ZINC001411665067 931949252 /nfs/dbraw/zinc/94/92/52/931949252.db2.gz KONKKMJHXSTRLB-UHFFFAOYSA-N -1 1 285.307 1.088 20 0 CDADMM N#CN1CCN(Cc2cc(F)c([O-])cc2F)CC1 ZINC001144664088 931950004 /nfs/dbraw/zinc/95/00/04/931950004.db2.gz UOWQYVYUUWIMOP-UHFFFAOYSA-N -1 1 253.252 1.269 20 0 CDADMM C[C@@H]1C(=O)N(C)CCN1Cc1cc(F)c([O-])cc1F ZINC001144658156 931955807 /nfs/dbraw/zinc/95/58/07/931955807.db2.gz SVJRBHAEWZETLS-MRVPVSSYSA-N -1 1 270.279 1.333 20 0 CDADMM COC(=O)[C@H](C)CN(C(=O)c1ccc([O-])cc1F)C1CC1 ZINC001411729263 931984981 /nfs/dbraw/zinc/98/49/81/931984981.db2.gz AWSHWPWNRJSBAQ-SECBINFHSA-N -1 1 295.310 1.945 20 0 CDADMM COC(=O)c1ccc(S(=O)(=O)[N-]C/C=C\C2CC2)o1 ZINC001324941715 932010101 /nfs/dbraw/zinc/01/01/01/932010101.db2.gz VFNFWFLVHDNHMU-IHWYPQMZSA-N -1 1 285.321 1.311 20 0 CDADMM CC[C@@H]1CN(C(=O)c2ccc(F)c([O-])c2)C[C@H](C)[S@@]1=O ZINC001412113232 932268615 /nfs/dbraw/zinc/26/86/15/932268615.db2.gz WJRSEBUEUUSUQJ-XAJVAHTNSA-N -1 1 299.367 1.903 20 0 CDADMM Cc1cc2c(c(NC[C@H](O)c3ccco3)n1)C(=O)[N-]C2=O ZINC001154878052 937598567 /nfs/dbraw/zinc/59/85/67/937598567.db2.gz LDFJEVVNMSIUGC-VIFPVBQESA-N -1 1 287.275 1.012 20 0 CDADMM CC[C@H](C)C(=O)N[C@@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC001412488997 932452515 /nfs/dbraw/zinc/45/25/15/932452515.db2.gz HSKBHPDMRQVMBF-QWRGUYRKSA-N -1 1 293.367 1.410 20 0 CDADMM Cc1[n-][nH]c2ncnc(=NC(=O)c3csc(C)c3C)c1-2 ZINC001147513547 932528999 /nfs/dbraw/zinc/52/89/99/932528999.db2.gz NZIPZFSVPGOADY-UHFFFAOYSA-N -1 1 287.348 1.965 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc3[nH]ccc3cn2)n1 ZINC001154953655 937611576 /nfs/dbraw/zinc/61/15/76/937611576.db2.gz UZVWHSZFGDZDJZ-UHFFFAOYSA-N -1 1 299.290 1.715 20 0 CDADMM COc1ccnc(NC(=O)c2c(CO)cnc(C)c2[O-])c1 ZINC001147834361 932615045 /nfs/dbraw/zinc/61/50/45/932615045.db2.gz QVAJUYOSZUCDPY-UHFFFAOYSA-N -1 1 289.291 1.244 20 0 CDADMM O=C(N[C@@H](CCO)C1CC1)c1c(F)ccc([O-])c1F ZINC001412702408 932648400 /nfs/dbraw/zinc/64/84/00/932648400.db2.gz 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604978679 /nfs/dbraw/zinc/97/86/79/604978679.db2.gz AVQPLKGVLAXBCB-ZDUSSCGKSA-N -1 1 267.300 1.483 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CC=CCC1 ZINC000833624047 605102950 /nfs/dbraw/zinc/10/29/50/605102950.db2.gz UIUASOOSLLGNPF-OLZOCXBDSA-N -1 1 280.368 1.350 20 0 CDADMM C[C@](CO)(NCc1ccc(C(=O)[O-])[nH]1)c1ccccc1 ZINC000833518956 605114826 /nfs/dbraw/zinc/11/48/26/605114826.db2.gz OIDZNJHFSSGONU-OAHLLOKOSA-N -1 1 274.320 1.710 20 0 CDADMM C[C@@H]1CN(C(=O)C2CCCCC2)CCN1CCC(=O)[O-] ZINC000833617787 605258753 /nfs/dbraw/zinc/25/87/53/605258753.db2.gz HBDGOBPNXIWQSR-GFCCVEGCSA-N -1 1 282.384 1.574 20 0 CDADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCOCC23CCCC3)O1 ZINC000833580139 605376827 /nfs/dbraw/zinc/37/68/27/605376827.db2.gz PRYRCZXLVJPVGU-LBPRGKRZSA-N -1 1 281.352 1.779 20 0 CDADMM C[C@@H](O)[C@H]1CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000833527745 605698375 /nfs/dbraw/zinc/69/83/75/605698375.db2.gz LPZDGDAJZZKWKE-PWSUYJOCSA-N -1 1 292.335 1.026 20 0 CDADMM O=C(OCC1CCOCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823401328 606135728 /nfs/dbraw/zinc/13/57/28/606135728.db2.gz SPKQTBDQKFLEKV-UHFFFAOYSA-N -1 1 294.336 1.512 20 0 CDADMM O=C(OCC1CCOCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823401328 606135730 /nfs/dbraw/zinc/13/57/30/606135730.db2.gz SPKQTBDQKFLEKV-UHFFFAOYSA-N -1 1 294.336 1.512 20 0 CDADMM CCCC(C)(C)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821008349 606169523 /nfs/dbraw/zinc/16/95/23/606169523.db2.gz JMZDZCRQLBFSEH-UHFFFAOYSA-N -1 1 292.347 1.300 20 0 CDADMM CCCC(C)(C)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821008349 606169524 /nfs/dbraw/zinc/16/95/24/606169524.db2.gz JMZDZCRQLBFSEH-UHFFFAOYSA-N -1 1 292.347 1.300 20 0 CDADMM CC(C)[C@@H](C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820017417 606293902 /nfs/dbraw/zinc/29/39/02/606293902.db2.gz WSJFFCQMIIQYHI-MRVPVSSYSA-N -1 1 275.312 1.803 20 0 CDADMM Cn1cc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cn1 ZINC000822684980 606459758 /nfs/dbraw/zinc/45/97/58/606459758.db2.gz OEQVAYOBUDYAMK-UHFFFAOYSA-N -1 1 276.691 1.392 20 0 CDADMM Cn1cc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cn1 ZINC000822684980 606459759 /nfs/dbraw/zinc/45/97/59/606459759.db2.gz OEQVAYOBUDYAMK-UHFFFAOYSA-N -1 1 276.691 1.392 20 0 CDADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)c1nccs1 ZINC000821573627 606508318 /nfs/dbraw/zinc/50/83/18/606508318.db2.gz XYBCDOLBRARTCT-UHFFFAOYSA-N -1 1 292.349 1.661 20 0 CDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)c1nccs1 ZINC000821573627 606508320 /nfs/dbraw/zinc/50/83/20/606508320.db2.gz XYBCDOLBRARTCT-UHFFFAOYSA-N -1 1 292.349 1.661 20 0 CDADMM O=C(NCCCC1CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823187113 606568532 /nfs/dbraw/zinc/56/85/32/606568532.db2.gz BLXNKUMCCZYAGG-UHFFFAOYSA-N -1 1 277.353 1.848 20 0 CDADMM O=C(NCCCC1CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823187113 606568533 /nfs/dbraw/zinc/56/85/33/606568533.db2.gz BLXNKUMCCZYAGG-UHFFFAOYSA-N -1 1 277.353 1.848 20 0 CDADMM CO[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)C(C)C ZINC000821677297 606581395 /nfs/dbraw/zinc/58/13/95/606581395.db2.gz TUJGXVCHEWGRQD-MRVPVSSYSA-N -1 1 295.368 1.329 20 0 CDADMM CO[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)C(C)C ZINC000821677297 606581394 /nfs/dbraw/zinc/58/13/94/606581394.db2.gz TUJGXVCHEWGRQD-MRVPVSSYSA-N -1 1 295.368 1.329 20 0 CDADMM c1cc(-c2nc(-c3cnccn3)no2)sc1-c1nnn[n-]1 ZINC000823809666 606601721 /nfs/dbraw/zinc/60/17/21/606601721.db2.gz PDXYGRVIVCYMMM-UHFFFAOYSA-N -1 1 298.291 1.435 20 0 CDADMM c1cc(-c2nc(-c3cnccn3)no2)sc1-c1nn[n-]n1 ZINC000823809666 606601722 /nfs/dbraw/zinc/60/17/22/606601722.db2.gz PDXYGRVIVCYMMM-UHFFFAOYSA-N -1 1 298.291 1.435 20 0 CDADMM Cc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(C)o1 ZINC000822184622 606652061 /nfs/dbraw/zinc/65/20/61/606652061.db2.gz YCVYQYBSNTYQKG-UHFFFAOYSA-N -1 1 299.290 1.829 20 0 CDADMM Cc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(C)o1 ZINC000822184622 606652062 /nfs/dbraw/zinc/65/20/62/606652062.db2.gz YCVYQYBSNTYQKG-UHFFFAOYSA-N -1 1 299.290 1.829 20 0 CDADMM Cc1cc(C)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)o1 ZINC000822194012 606653692 /nfs/dbraw/zinc/65/36/92/606653692.db2.gz DZDWLZUVAHDUQX-UHFFFAOYSA-N -1 1 299.290 1.829 20 0 CDADMM Cc1cc(C)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)o1 ZINC000822194012 606653693 /nfs/dbraw/zinc/65/36/93/606653693.db2.gz DZDWLZUVAHDUQX-UHFFFAOYSA-N -1 1 299.290 1.829 20 0 CDADMM CSC[C@H](C)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821956362 607104712 /nfs/dbraw/zinc/10/47/12/607104712.db2.gz MYBDMVRSCBDLQO-YFKPBYRVSA-N -1 1 284.370 1.261 20 0 CDADMM CSC[C@H](C)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821956362 607104713 /nfs/dbraw/zinc/10/47/13/607104713.db2.gz MYBDMVRSCBDLQO-YFKPBYRVSA-N -1 1 284.370 1.261 20 0 CDADMM Cc1ccnc(Oc2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826314867 607867112 /nfs/dbraw/zinc/86/71/12/607867112.db2.gz PWGXEKGKWMLQHC-UHFFFAOYSA-N -1 1 272.243 1.897 20 0 CDADMM Cc1ccnc(Oc2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826314867 607867113 /nfs/dbraw/zinc/86/71/13/607867113.db2.gz PWGXEKGKWMLQHC-UHFFFAOYSA-N -1 1 272.243 1.897 20 0 CDADMM CN(c1cccc(-c2nnn[n-]2)n1)C(C1CC1)C1CC1 ZINC000826004327 607898140 /nfs/dbraw/zinc/89/81/40/607898140.db2.gz SJNXEBHVXFNBTN-UHFFFAOYSA-N -1 1 270.340 1.887 20 0 CDADMM CN(c1cccc(-c2nn[n-]n2)n1)C(C1CC1)C1CC1 ZINC000826004327 607898141 /nfs/dbraw/zinc/89/81/41/607898141.db2.gz SJNXEBHVXFNBTN-UHFFFAOYSA-N -1 1 270.340 1.887 20 0 CDADMM CCCN(CC1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC000095277781 607902654 /nfs/dbraw/zinc/90/26/54/607902654.db2.gz AQPAIALFZHHEOQ-UHFFFAOYSA-N -1 1 258.329 1.888 20 0 CDADMM CCCN(CC1CC1)c1cccc(-c2nn[n-]n2)n1 ZINC000095277781 607902655 /nfs/dbraw/zinc/90/26/55/607902655.db2.gz AQPAIALFZHHEOQ-UHFFFAOYSA-N -1 1 258.329 1.888 20 0 CDADMM C[C@@H]1Cc2ccccc2N1c1ccc(-c2nnn[n-]2)nn1 ZINC000825014497 607988402 /nfs/dbraw/zinc/98/84/02/607988402.db2.gz WLMKUYOELHBTGS-SECBINFHSA-N -1 1 279.307 1.739 20 0 CDADMM C[C@@H]1Cc2ccccc2N1c1ccc(-c2nn[n-]n2)nn1 ZINC000825014497 607988403 /nfs/dbraw/zinc/98/84/03/607988403.db2.gz WLMKUYOELHBTGS-SECBINFHSA-N -1 1 279.307 1.739 20 0 CDADMM C[C@H]1OCC[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000825022586 608148574 /nfs/dbraw/zinc/14/85/74/608148574.db2.gz YUGYTDHZIDZDSD-HTRCEHHLSA-N -1 1 280.719 1.504 20 0 CDADMM C[C@H]1OCC[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000825022586 608148575 /nfs/dbraw/zinc/14/85/75/608148575.db2.gz YUGYTDHZIDZDSD-HTRCEHHLSA-N -1 1 280.719 1.504 20 0 CDADMM CC[C@H](C)N(OC)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825066944 608193479 /nfs/dbraw/zinc/19/34/79/608193479.db2.gz FWAVYSNZOAKGGV-ZETCQYMHSA-N -1 1 281.341 1.730 20 0 CDADMM CC[C@H](C)N(OC)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825066944 608193480 /nfs/dbraw/zinc/19/34/80/608193480.db2.gz FWAVYSNZOAKGGV-ZETCQYMHSA-N -1 1 281.341 1.730 20 0 CDADMM C[C@H]1CCCC[C@@H]1N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824936454 608394965 /nfs/dbraw/zinc/39/49/65/608394965.db2.gz HJEKHOFLJDZJFH-ONGXEEELSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@H]1CCCC[C@@H]1N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824936454 608394967 /nfs/dbraw/zinc/39/49/67/608394967.db2.gz HJEKHOFLJDZJFH-ONGXEEELSA-N -1 1 273.344 1.672 20 0 CDADMM c1cc(N2CCC[C@@H]2C2CCC2)nnc1-c1nnn[n-]1 ZINC000826516922 608412661 /nfs/dbraw/zinc/41/26/61/608412661.db2.gz IIRNYDYJXWCASA-LLVKDONJSA-N -1 1 271.328 1.426 20 0 CDADMM c1cc(N2CCC[C@@H]2C2CCC2)nnc1-c1nn[n-]n1 ZINC000826516922 608412663 /nfs/dbraw/zinc/41/26/63/608412663.db2.gz IIRNYDYJXWCASA-LLVKDONJSA-N -1 1 271.328 1.426 20 0 CDADMM FC1(F)CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826370035 608433433 /nfs/dbraw/zinc/43/34/33/608433433.db2.gz AOANTJLBOABQES-LURJTMIESA-N -1 1 267.243 1.256 20 0 CDADMM FC1(F)CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826370035 608433434 /nfs/dbraw/zinc/43/34/34/608433434.db2.gz AOANTJLBOABQES-LURJTMIESA-N -1 1 267.243 1.256 20 0 CDADMM CC[C@H](CSC)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825126605 608474813 /nfs/dbraw/zinc/47/48/13/608474813.db2.gz JGCJEAMVEQIHBM-SECBINFHSA-N -1 1 292.368 1.133 20 0 CDADMM CC[C@H](CSC)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825126605 608474814 /nfs/dbraw/zinc/47/48/14/608474814.db2.gz JGCJEAMVEQIHBM-SECBINFHSA-N -1 1 292.368 1.133 20 0 CDADMM CC1(C)COCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000824812014 608619732 /nfs/dbraw/zinc/61/97/32/608619732.db2.gz GDUNWKWVPXPLIL-UHFFFAOYSA-N -1 1 263.301 1.071 20 0 CDADMM CC1(C)COCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000824812014 608619731 /nfs/dbraw/zinc/61/97/31/608619731.db2.gz GDUNWKWVPXPLIL-UHFFFAOYSA-N -1 1 263.301 1.071 20 0 CDADMM COCc1nc(NCc2cc(C)no2)cc(=O)[n-]1 ZINC000892020024 617414180 /nfs/dbraw/zinc/41/41/80/617414180.db2.gz YRXVMGJAJFBIFS-UHFFFAOYSA-N -1 1 250.258 1.237 20 0 CDADMM COCc1nc(NC[C@](C)(O)c2ccccc2)cc(=O)[n-]1 ZINC000892534713 617482932 /nfs/dbraw/zinc/48/29/32/617482932.db2.gz UAAPAWBJWXZITL-HNNXBMFYSA-N -1 1 289.335 1.648 20 0 CDADMM Cc1ccc(NC(=O)N2CCN(CCC(=O)[O-])CC2)cc1 ZINC000035687038 617484031 /nfs/dbraw/zinc/48/40/31/617484031.db2.gz NFNFQPRHTMJRPF-UHFFFAOYSA-N -1 1 291.351 1.619 20 0 CDADMM C[C@H]1COCC[C@@H]1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891619495 617507651 /nfs/dbraw/zinc/50/76/51/617507651.db2.gz ZYQDZACVSMTWQE-UWVGGRQHSA-N -1 1 291.351 1.672 20 0 CDADMM O=C(C=CC1CC1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891620856 617508533 /nfs/dbraw/zinc/50/85/33/617508533.db2.gz ADCZQRXIHQJTHC-BQYQJAHWSA-N -1 1 259.309 1.966 20 0 CDADMM CCO[C@@H](C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891625164 617511288 /nfs/dbraw/zinc/51/12/88/617511288.db2.gz VYCAWBLURAGXTH-QMMMGPOBSA-N -1 1 265.313 1.425 20 0 CDADMM C[C@H](Cc1ccccc1Cl)C(=O)N(C)c1nn[n-]n1 ZINC000892955159 617978347 /nfs/dbraw/zinc/97/83/47/617978347.db2.gz WZHZAFRKPBRTTQ-MRVPVSSYSA-N -1 1 279.731 1.695 20 0 CDADMM CCC[C@@H]1CCCN(C(=O)Cc2sc(N)nc2[O-])C1 ZINC000137082839 618086792 /nfs/dbraw/zinc/08/67/92/618086792.db2.gz RRAUXNLOMSUYBB-ZJUUUORDSA-N -1 1 283.397 1.372 20 0 CDADMM COCc1nc(NCC[C@@H](O)c2ccccc2)cc(=O)[n-]1 ZINC000892714299 617625382 /nfs/dbraw/zinc/62/53/82/617625382.db2.gz MKBHCVYDDRUOMX-GFCCVEGCSA-N -1 1 289.335 1.864 20 0 CDADMM Cc1cnccc1C(=O)Nc1cc(C(=O)OC(C)C)[nH]n1 ZINC000888119007 620750881 /nfs/dbraw/zinc/75/08/81/620750881.db2.gz PYTSFZYAIFUDEW-UHFFFAOYSA-N -1 1 288.307 1.931 20 0 CDADMM COCc1nc(N2CC[C@@H](C)[C@@H](OC)C2)cc(=O)[n-]1 ZINC000893388244 617773561 /nfs/dbraw/zinc/77/35/61/617773561.db2.gz JOIBTEZEVZDVCX-ZJUUUORDSA-N -1 1 267.329 1.190 20 0 CDADMM COc1ccc(C[C@@H](C)C(=O)N(C)c2nn[n-]n2)cc1 ZINC000892954145 617974564 /nfs/dbraw/zinc/97/45/64/617974564.db2.gz DDCZEMNUAXTWBU-SECBINFHSA-N -1 1 275.312 1.050 20 0 CDADMM Cc1ccc(C(=O)N(C)c2nn[n-]n2)c(Cl)c1C ZINC000892954498 617976873 /nfs/dbraw/zinc/97/68/73/617976873.db2.gz JSOCGXFKBCIKIU-UHFFFAOYSA-N -1 1 265.704 1.747 20 0 CDADMM COCc1nc(N2CC[C@@H](OC)[C@@H](C)C2)cc(=O)[n-]1 ZINC000894063536 618327632 /nfs/dbraw/zinc/32/76/32/618327632.db2.gz MYPMGDGUGLIOEZ-VHSXEESVSA-N -1 1 267.329 1.190 20 0 CDADMM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NC1(CC(=O)[O-])CCC1 ZINC000902003402 618477836 /nfs/dbraw/zinc/47/78/36/618477836.db2.gz ABSLAQACCMSPNO-NOZJJQNGSA-N -1 1 291.351 1.589 20 0 CDADMM COc1cccc(C)c1NC(=O)CCCc1nn[n-]n1 ZINC000822466493 618546065 /nfs/dbraw/zinc/54/60/65/618546065.db2.gz CIOXBEXBLXVALZ-UHFFFAOYSA-N -1 1 275.312 1.478 20 0 CDADMM 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CDADMM CSCC[C@H](NC(=O)c1ccsc1C)c1nn[n-]n1 ZINC000912863200 630251958 /nfs/dbraw/zinc/25/19/58/630251958.db2.gz OKNJZRMZECQKFV-VIFPVBQESA-N -1 1 297.409 1.794 20 0 CDADMM COC[C@H]1CCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000913152308 630385509 /nfs/dbraw/zinc/38/55/09/630385509.db2.gz JFGVUCTZUSPIIC-SNVBAGLBSA-N -1 1 277.324 1.311 20 0 CDADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)[C@@H]1CCC=CO1 ZINC000913437916 630481176 /nfs/dbraw/zinc/48/11/76/630481176.db2.gz PEXJKERUDAQEQW-RYUDHWBXSA-N -1 1 285.307 1.098 20 0 CDADMM C[C@@H]1CC[C@@H](C(=O)N2CCC(c3nn[n-]n3)CC2)C[C@H]1C ZINC000913746502 630744418 /nfs/dbraw/zinc/74/44/18/630744418.db2.gz XGUPUYWUNUTGKL-NQBHXWOUSA-N -1 1 291.399 1.978 20 0 CDADMM [O-]c1ccc(-c2noc([C@H]3C[C@@H](O)C3)n2)cc1F ZINC000924006882 631969974 /nfs/dbraw/zinc/96/99/74/631969974.db2.gz LNTOSXZMCXZRGP-OCAPTIKFSA-N -1 1 250.229 1.820 20 0 CDADMM CC(C)[C@H](NCC(=O)N(C)C1CCC(C)CC1)C(=O)[O-] ZINC000035391578 632078567 /nfs/dbraw/zinc/07/85/67/632078567.db2.gz HPGVRYUYAHTMTP-YIZWMMSDSA-N -1 1 284.400 1.722 20 0 CDADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc[n+]([O-])cc1 ZINC000917113624 632152444 /nfs/dbraw/zinc/15/24/44/632152444.db2.gz GIFDHRJLYOUHGG-UHFFFAOYSA-N -1 1 296.286 1.668 20 0 CDADMM CC[C@@H](CO)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000917747378 632275564 /nfs/dbraw/zinc/27/55/64/632275564.db2.gz SRUCUUCOMOQBPC-YFKPBYRVSA-N -1 1 250.270 1.983 20 0 CDADMM CCC[C@@](C)(NC(=O)CN1CC[C@H](C)C1)C(=O)[O-] ZINC000736953994 633221216 /nfs/dbraw/zinc/22/12/16/633221216.db2.gz GFAKDQNDVHLZIS-GXFFZTMASA-N -1 1 256.346 1.088 20 0 CDADMM CC[C@@H](C)CCC(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001349002469 1158995686 /nfs/dbraw/zinc/99/56/86/1158995686.db2.gz NLHBSARCHHMIKH-ZJUUUORDSA-N -1 1 251.334 1.342 20 0 CDADMM Cc1nc2cc(Nc3[nH]c(=O)nc4[n-]c(=O)[nH]c43)cnc2o1 ZINC001170222490 1162313607 /nfs/dbraw/zinc/31/36/07/1162313607.db2.gz FFCMCTLHGNOIHR-UHFFFAOYSA-N -1 1 299.250 1.304 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2ncnc3[nH]cc(F)c32)[n-]1 ZINC001170223882 1162314815 /nfs/dbraw/zinc/31/48/15/1162314815.db2.gz SQOUNPVQXOTVEK-UHFFFAOYSA-N -1 1 286.230 1.213 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2nncc3ccoc32)[n-]1 ZINC001170226886 1162316756 /nfs/dbraw/zinc/31/67/56/1162316756.db2.gz AYIGDQGDBKPUHL-UHFFFAOYSA-N -1 1 269.224 1.338 20 0 CDADMM Cc1sccc1C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC001129519408 1162481818 /nfs/dbraw/zinc/48/18/18/1162481818.db2.gz FMAKRUANXVKJFM-UHFFFAOYSA-N -1 1 289.320 1.348 20 0 CDADMM Cc1ccc(-c2ocnc2C(=O)N(C)c2nn[n-]n2)cc1 ZINC001131169591 1162820142 /nfs/dbraw/zinc/82/01/42/1162820142.db2.gz KMLCMGPQVINICH-UHFFFAOYSA-N -1 1 284.279 1.440 20 0 CDADMM CN(C(=O)Cc1cccc2ccccc21)c1nn[n-]n1 ZINC001131170087 1162820331 /nfs/dbraw/zinc/82/03/31/1162820331.db2.gz RWVHIWOBXRODTN-UHFFFAOYSA-N -1 1 267.292 1.558 20 0 CDADMM C[C@@H](NC(=O)c1ncccc1[O-])c1csnn1 ZINC000398374500 1160103978 /nfs/dbraw/zinc/10/39/78/1160103978.db2.gz QOZBIXZBDLWQKY-ZCFIWIBFSA-N -1 1 250.283 1.130 20 0 CDADMM CCC[C@@H](C)[C@@H](CO)Nc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001604134783 1163101869 /nfs/dbraw/zinc/10/18/69/1163101869.db2.gz LMMZITUNISBTFM-MWLCHTKSSA-N -1 1 290.371 1.779 20 0 CDADMM CCC[C@@H](C)[C@@H](CO)Nc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001604134783 1163101870 /nfs/dbraw/zinc/10/18/70/1163101870.db2.gz LMMZITUNISBTFM-MWLCHTKSSA-N -1 1 290.371 1.779 20 0 CDADMM CCCC[C@@H](C)N(C)c1cc(-c2nnn[n-]2)ncn1 ZINC001604161919 1163111614 /nfs/dbraw/zinc/11/16/14/1163111614.db2.gz CMRMYMYSJUHMMW-SECBINFHSA-N -1 1 261.333 1.672 20 0 CDADMM CCCC[C@@H](C)N(C)c1cc(-c2nn[n-]n2)ncn1 ZINC001604161919 1163111618 /nfs/dbraw/zinc/11/16/18/1163111618.db2.gz CMRMYMYSJUHMMW-SECBINFHSA-N -1 1 261.333 1.672 20 0 CDADMM CCCC[C@@H](C)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001604159972 1163112148 /nfs/dbraw/zinc/11/21/48/1163112148.db2.gz QVSWVGYDGJWQEJ-MRVPVSSYSA-N -1 1 294.384 1.766 20 0 CDADMM CCCC[C@@H](C)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001604159972 1163112151 /nfs/dbraw/zinc/11/21/51/1163112151.db2.gz QVSWVGYDGJWQEJ-MRVPVSSYSA-N -1 1 294.384 1.766 20 0 CDADMM CCCCOC(=O)CSc1cccc(-c2nnn[n-]2)n1 ZINC001604185646 1163118559 /nfs/dbraw/zinc/11/85/59/1163118559.db2.gz MBCFYCVLZCWTKP-UHFFFAOYSA-N -1 1 293.352 1.697 20 0 CDADMM CCCCOC(=O)CSc1cccc(-c2nn[n-]n2)n1 ZINC001604185646 1163118566 /nfs/dbraw/zinc/11/85/66/1163118566.db2.gz MBCFYCVLZCWTKP-UHFFFAOYSA-N -1 1 293.352 1.697 20 0 CDADMM C[C@@H](Cn1cncn1)NCc1ccc(/C=C\C(=O)[O-])o1 ZINC001604249468 1163133974 /nfs/dbraw/zinc/13/39/74/1163133974.db2.gz OBQFTVLZBLPZBK-LWTINBJPSA-N -1 1 276.296 1.147 20 0 CDADMM C/C(=C\CN1C[C@H](C)O[C@]2(CCCOC2)C1)C(=O)[O-] ZINC001602962849 1175461687 /nfs/dbraw/zinc/46/16/87/1175461687.db2.gz PKVNMCCNTKVKRT-JSGVTYIYSA-N -1 1 269.341 1.287 20 0 CDADMM C[C@@H](O)CN(Cc1oncc1C(=O)[O-])Cc1ccccc1 ZINC001604387030 1163172646 /nfs/dbraw/zinc/17/26/46/1163172646.db2.gz IYVACWLZZOJYIJ-LLVKDONJSA-N -1 1 290.319 1.756 20 0 CDADMM CCOC(=O)c1cnn(CC=C(C)C)c1-c1nn[n-]n1 ZINC001604391449 1163173945 /nfs/dbraw/zinc/17/39/45/1163173945.db2.gz ZZHJZCAAPDYZQE-UHFFFAOYSA-N -1 1 276.300 1.206 20 0 CDADMM CN(CC1CCC1)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001649257938 1161181290 /nfs/dbraw/zinc/18/12/90/1161181290.db2.gz XEYHVRUCYFFMTG-UHFFFAOYSA-N -1 1 273.340 1.606 20 0 CDADMM O=C(N[C@@H](CNc1ncccn1)C1CC1)c1ncccc1[O-] ZINC001109821666 1162039361 /nfs/dbraw/zinc/03/93/61/1162039361.db2.gz MJPBXWOBBWYUJH-NSHDSACASA-N -1 1 299.334 1.198 20 0 CDADMM Cn1[n-]cc2c(=NC(=O)c3ccc(F)c(F)c3)ccnc1-2 ZINC000791285882 1162211370 /nfs/dbraw/zinc/21/13/70/1162211370.db2.gz JWYUJDMTRHHDSZ-UHFFFAOYSA-N -1 1 288.257 1.872 20 0 CDADMM Cc1[nH]n(Cc2ccc(F)c(F)c2)c(=O)c1CC(=O)[O-] ZINC001604616487 1163250711 /nfs/dbraw/zinc/25/07/11/1163250711.db2.gz WFGMMUWNRMDNOQ-VIFPVBQESA-N -1 1 282.246 1.774 20 0 CDADMM C[C@@H]1[N@@H+](C[C@H]2[C@@H](C(=O)[O-])C2(F)F)CCOC1(C)C ZINC001604828550 1163343795 /nfs/dbraw/zinc/34/37/95/1163343795.db2.gz WNAMEMNNHYQQKO-CIUDSAMLSA-N -1 1 263.284 1.452 20 0 CDADMM C[C@@H]1N(C[C@H]2[C@@H](C(=O)[O-])C2(F)F)CCOC1(C)C ZINC001604828550 1163343801 /nfs/dbraw/zinc/34/38/01/1163343801.db2.gz WNAMEMNNHYQQKO-CIUDSAMLSA-N -1 1 263.284 1.452 20 0 CDADMM CN(c1cncc(-c2nnn[n-]2)n1)C1CCCCCC1 ZINC001604831461 1163345382 /nfs/dbraw/zinc/34/53/82/1163345382.db2.gz NZMHEAKDEQNALZ-UHFFFAOYSA-N -1 1 273.344 1.816 20 0 CDADMM CN(c1cncc(-c2nn[n-]n2)n1)C1CCCCCC1 ZINC001604831461 1163345387 /nfs/dbraw/zinc/34/53/87/1163345387.db2.gz NZMHEAKDEQNALZ-UHFFFAOYSA-N -1 1 273.344 1.816 20 0 CDADMM COC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001604979027 1163402946 /nfs/dbraw/zinc/40/29/46/1163402946.db2.gz KLDMFIXSIRRTRM-UHFFFAOYSA-N -1 1 298.262 1.236 20 0 CDADMM COC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001604979027 1163402951 /nfs/dbraw/zinc/40/29/51/1163402951.db2.gz KLDMFIXSIRRTRM-UHFFFAOYSA-N -1 1 298.262 1.236 20 0 CDADMM CO[C@@H]1CCC[C@H]1CNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001605029323 1163422869 /nfs/dbraw/zinc/42/28/69/1163422869.db2.gz CGACOMWBMMBSIX-GXSJLCMTSA-N -1 1 289.343 1.192 20 0 CDADMM CO[C@@H]1CCC[C@H]1CNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001605029323 1163422873 /nfs/dbraw/zinc/42/28/73/1163422873.db2.gz CGACOMWBMMBSIX-GXSJLCMTSA-N -1 1 289.343 1.192 20 0 CDADMM CO[C@@H]1CC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001605029486 1163423090 /nfs/dbraw/zinc/42/30/90/1163423090.db2.gz MAAJIFIOUWGPFV-JGVFFNPUSA-N -1 1 294.746 1.895 20 0 CDADMM CO[C@@H]1CC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001605029486 1163423095 /nfs/dbraw/zinc/42/30/95/1163423095.db2.gz MAAJIFIOUWGPFV-JGVFFNPUSA-N -1 1 294.746 1.895 20 0 CDADMM CCN(C)[C@@H](C(=O)N[C@@H](CF)C(=O)[O-])c1ccccc1 ZINC001605407189 1163552009 /nfs/dbraw/zinc/55/20/09/1163552009.db2.gz HPPUFODUHKCLLJ-NWDGAFQWSA-N -1 1 282.315 1.218 20 0 CDADMM C[C@]12CCCC[C@H]1CN2C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001605448360 1163568003 /nfs/dbraw/zinc/56/80/03/1163568003.db2.gz XMQXBPXYBIOWID-NHYWBVRUSA-N -1 1 298.350 1.666 20 0 CDADMM C[C@]12CCCC[C@H]1CN2C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001605448360 1163568009 /nfs/dbraw/zinc/56/80/09/1163568009.db2.gz XMQXBPXYBIOWID-NHYWBVRUSA-N -1 1 298.350 1.666 20 0 CDADMM Cc1c(-c2nnn[n-]2)c(NC(=O)C=Cc2ccco2)nn1C ZINC001605464797 1163573916 /nfs/dbraw/zinc/57/39/16/1163573916.db2.gz MKAMNKHDJKFKJR-AATRIKPKSA-N -1 1 299.294 1.154 20 0 CDADMM Cc1c(-c2nn[n-]n2)c(NC(=O)C=Cc2ccco2)nn1C ZINC001605464797 1163573919 /nfs/dbraw/zinc/57/39/19/1163573919.db2.gz MKAMNKHDJKFKJR-AATRIKPKSA-N -1 1 299.294 1.154 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCS[C@H](C)[C@@H]2C)n1 ZINC001605564327 1163611673 /nfs/dbraw/zinc/61/16/73/1163611673.db2.gz SCIRAUOFEGJYQH-DTWKUNHWSA-N -1 1 291.384 1.295 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCS[C@H](C)[C@@H]2C)n1 ZINC001605564327 1163611677 /nfs/dbraw/zinc/61/16/77/1163611677.db2.gz SCIRAUOFEGJYQH-DTWKUNHWSA-N -1 1 291.384 1.295 20 0 CDADMM CCOC(=O)c1cc(CN(C)C[C@@H](C)C(=O)[O-])on1 ZINC001605566536 1163612746 /nfs/dbraw/zinc/61/27/46/1163612746.db2.gz YTFWWMSOYFXWSR-MRVPVSSYSA-N -1 1 270.285 1.004 20 0 CDADMM Cc1cc(N[C@H]2CCSC2)nc(-c2nnn[n-]2)c1 ZINC001605723181 1163652079 /nfs/dbraw/zinc/65/20/79/1163652079.db2.gz IENPMUDKXGHWHN-QMMMGPOBSA-N -1 1 262.342 1.488 20 0 CDADMM Cc1cc(N[C@H]2CCSC2)nc(-c2nn[n-]n2)c1 ZINC001605723181 1163652083 /nfs/dbraw/zinc/65/20/83/1163652083.db2.gz IENPMUDKXGHWHN-QMMMGPOBSA-N -1 1 262.342 1.488 20 0 CDADMM Cc1cc(NCCC2(CO)CCC2)cc(-c2nnn[n-]2)n1 ZINC001605730459 1163654378 /nfs/dbraw/zinc/65/43/78/1163654378.db2.gz OUZZMWYMNTXYEI-UHFFFAOYSA-N -1 1 288.355 1.535 20 0 CDADMM Cc1cc(NC[C@@H]2CCC[C@@H](O)C2)nc(-c2nnn[n-]2)c1 ZINC001605732047 1163654576 /nfs/dbraw/zinc/65/45/76/1163654576.db2.gz TUJGRYMVHGCIRP-GHMZBOCLSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1cc(NC[C@@H]2CCC[C@@H](O)C2)nc(-c2nn[n-]n2)c1 ZINC001605732047 1163654581 /nfs/dbraw/zinc/65/45/81/1163654581.db2.gz TUJGRYMVHGCIRP-GHMZBOCLSA-N -1 1 288.355 1.533 20 0 CDADMM CCc1noc([C@H](C)N[C@@H]2CCC[C@@H]2C(=O)[O-])n1 ZINC001605873747 1163701624 /nfs/dbraw/zinc/70/16/24/1163701624.db2.gz MBXHBTXAVRADTN-XHNCKOQMSA-N -1 1 253.302 1.536 20 0 CDADMM Cc1ccc2c(c1)CCN2c1ncncc1-c1nn[n-]n1 ZINC001605888857 1163706255 /nfs/dbraw/zinc/70/62/55/1163706255.db2.gz RLARDHARUPDNRT-UHFFFAOYSA-N -1 1 279.307 1.659 20 0 CDADMM CCn1ccc(CN2CCC[C@@](C)(C(=O)[O-])C2)n1 ZINC001605928335 1163717638 /nfs/dbraw/zinc/71/76/38/1163717638.db2.gz ZUCGRYMWTWRGQD-CYBMUJFWSA-N -1 1 251.330 1.590 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(CC(=O)C2CCCC2)c1C ZINC001606020791 1163747991 /nfs/dbraw/zinc/74/79/91/1163747991.db2.gz CAEXENVZLYRJTM-UHFFFAOYSA-N -1 1 274.328 1.439 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(CC(=O)C2CCCC2)c1C ZINC001606020791 1163747996 /nfs/dbraw/zinc/74/79/96/1163747996.db2.gz CAEXENVZLYRJTM-UHFFFAOYSA-N -1 1 274.328 1.439 20 0 CDADMM Cc1nc(NCC2CC(C)C2)cc(-c2nnn[n-]2)n1 ZINC001606070159 1163763058 /nfs/dbraw/zinc/76/30/58/1163763058.db2.gz ZXEUHHMYFFHFNW-UHFFFAOYSA-N -1 1 259.317 1.423 20 0 CDADMM Cc1nc(NCC2CC(C)C2)cc(-c2nn[n-]n2)n1 ZINC001606070159 1163763062 /nfs/dbraw/zinc/76/30/62/1163763062.db2.gz ZXEUHHMYFFHFNW-UHFFFAOYSA-N -1 1 259.317 1.423 20 0 CDADMM Cc1ncc(CNc2cc(-c3nnn[n-]3)ncn2)s1 ZINC001606089241 1163769480 /nfs/dbraw/zinc/76/94/80/1163769480.db2.gz JRECGMIMFFORND-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM Cc1ncc(CNc2cc(-c3nn[n-]n3)ncn2)s1 ZINC001606089241 1163769488 /nfs/dbraw/zinc/76/94/88/1163769488.db2.gz JRECGMIMFFORND-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM Cc1noc([C@@H](C)N(C)Cc2ccc(-c3nnn[n-]3)o2)n1 ZINC001606128241 1163780280 /nfs/dbraw/zinc/78/02/80/1163780280.db2.gz VPPIOISPPURURO-SSDOTTSWSA-N -1 1 289.299 1.344 20 0 CDADMM Cc1noc([C@@H](C)N(C)Cc2ccc(-c3nn[n-]n3)o2)n1 ZINC001606128241 1163780286 /nfs/dbraw/zinc/78/02/86/1163780286.db2.gz VPPIOISPPURURO-SSDOTTSWSA-N -1 1 289.299 1.344 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@H](C)[C@@H](C)[C@H]1C ZINC001606166067 1163793629 /nfs/dbraw/zinc/79/36/29/1163793629.db2.gz NEZLQBZVFKXDJA-DJLDLDEBSA-N -1 1 289.339 1.885 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@H](C)[C@@H](C)[C@H]1C ZINC001606166067 1163793636 /nfs/dbraw/zinc/79/36/36/1163793636.db2.gz NEZLQBZVFKXDJA-DJLDLDEBSA-N -1 1 289.339 1.885 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC/C=C/Cl ZINC001606171142 1163795941 /nfs/dbraw/zinc/79/59/41/1163795941.db2.gz UPYAONDGESPDES-NSCUHMNNSA-N -1 1 268.660 1.677 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC/C=C/Cl ZINC001606171142 1163795948 /nfs/dbraw/zinc/79/59/48/1163795948.db2.gz UPYAONDGESPDES-NSCUHMNNSA-N -1 1 268.660 1.677 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC001606169280 1163796597 /nfs/dbraw/zinc/79/65/97/1163796597.db2.gz QQDWFMSQZGWTKX-ONGXEEELSA-N -1 1 287.323 1.544 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC001606169280 1163796603 /nfs/dbraw/zinc/79/66/03/1163796603.db2.gz QQDWFMSQZGWTKX-ONGXEEELSA-N -1 1 287.323 1.544 20 0 CDADMM CN1CC2(C1)CCN(C(=O)/C=C/c1cc(C(=O)[O-])co1)C2 ZINC001606208851 1163813084 /nfs/dbraw/zinc/81/30/84/1163813084.db2.gz NGWQVYGBQZQLOK-NSCUHMNNSA-N -1 1 290.319 1.155 20 0 CDADMM CNC(=O)OC[C@H]1CCCCN1Cc1occc1C(=O)[O-] ZINC001606279408 1163835712 /nfs/dbraw/zinc/83/57/12/1163835712.db2.gz FHBNQVMQLGUYGE-SNVBAGLBSA-N -1 1 296.323 1.688 20 0 CDADMM COC(=O)NC1CCN(Cc2ccc(C(=O)[O-])o2)CC1 ZINC001606494236 1163915802 /nfs/dbraw/zinc/91/58/02/1163915802.db2.gz VEHGRRHYTFRGBI-UHFFFAOYSA-N -1 1 282.296 1.298 20 0 CDADMM O=C([O-])c1ccc(NC(=O)[C@@H]2CCCc3[nH]ncc32)nc1 ZINC001606500413 1163917845 /nfs/dbraw/zinc/91/78/45/1163917845.db2.gz GULNIUPBAGDNGC-SECBINFHSA-N -1 1 286.291 1.562 20 0 CDADMM COC(CN(C/C=C/Cl)CCC(=O)[O-])OC ZINC001606667826 1163954273 /nfs/dbraw/zinc/95/42/73/1163954273.db2.gz CLFVYAYWQGKRDC-HWKANZROSA-N -1 1 251.710 1.135 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ncn1C/C=C\c1ccccc1 ZINC001607090760 1164078087 /nfs/dbraw/zinc/07/80/87/1164078087.db2.gz YKABFLKVJZONBP-DAXSKMNVSA-N -1 1 280.291 1.137 20 0 CDADMM c1nn(C2CCCC2)cc1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001607122104 1164105441 /nfs/dbraw/zinc/10/54/41/1164105441.db2.gz UBZUOWJFZMGPAD-UHFFFAOYSA-N -1 1 297.326 1.134 20 0 CDADMM c1cn(CCN2CCc3ccccc32)c(-c2nnn[n-]2)n1 ZINC001607132314 1164111325 /nfs/dbraw/zinc/11/13/25/1164111325.db2.gz BVILKHYPXDWHGI-UHFFFAOYSA-N -1 1 281.323 1.126 20 0 CDADMM c1cn(CCN2CCc3ccccc32)c(-c2nn[n-]n2)n1 ZINC001607132314 1164111330 /nfs/dbraw/zinc/11/13/30/1164111330.db2.gz BVILKHYPXDWHGI-UHFFFAOYSA-N -1 1 281.323 1.126 20 0 CDADMM c1cnc(N2CCCC3(CC3)C2)c(-c2nnn[n-]2)n1 ZINC001607134734 1164114826 /nfs/dbraw/zinc/11/48/26/1164114826.db2.gz NCNTXSXEVBKCHE-UHFFFAOYSA-N -1 1 257.301 1.037 20 0 CDADMM c1cnc(N2CCCC3(CC3)C2)c(-c2nn[n-]n2)n1 ZINC001607134734 1164114829 /nfs/dbraw/zinc/11/48/29/1164114829.db2.gz NCNTXSXEVBKCHE-UHFFFAOYSA-N -1 1 257.301 1.037 20 0 CDADMM COc1ccc(N2CCN(C/C(C)=C\C(=O)[O-])CC2)nc1 ZINC001607271292 1164140209 /nfs/dbraw/zinc/14/02/09/1164140209.db2.gz WOIDQMFJPQLSOC-XFXZXTDPSA-N -1 1 291.351 1.243 20 0 CDADMM Cc1cc(C(=O)[O-])oc1-c1nc([C@@H]2CCCN2)no1 ZINC001607601620 1164235477 /nfs/dbraw/zinc/23/54/77/1164235477.db2.gz GAVFRRBKPHRTFB-ZETCQYMHSA-N -1 1 263.253 1.761 20 0 CDADMM Cc1cc(CN2CC[C@@H](O)[C@H](C)C2)[nH]c1C(=O)[O-] ZINC001607637658 1164249345 /nfs/dbraw/zinc/24/93/45/1164249345.db2.gz FWCFQINGUDLJBY-MWLCHTKSSA-N -1 1 252.314 1.224 20 0 CDADMM Cc1cc(CN2C[C@H](C(=O)[O-])C[C@H](O)C2)cc(Cl)n1 ZINC001607637701 1164249942 /nfs/dbraw/zinc/24/99/42/1164249942.db2.gz HFNDYNJMZOTHNG-MNOVXSKESA-N -1 1 284.743 1.311 20 0 CDADMM Cc1cc(CN2CC([C@H]3CCOC3)C2)[nH]c1C(=O)[O-] ZINC001607640138 1164252404 /nfs/dbraw/zinc/25/24/04/1164252404.db2.gz KJMGFAMAPJAYIM-JTQLQIEISA-N -1 1 264.325 1.490 20 0 CDADMM Cc1ccc(CN[C@](C)(CC(=O)[O-])c2ccncc2)nn1 ZINC001607783236 1164296067 /nfs/dbraw/zinc/29/60/67/1164296067.db2.gz UOYLYSPDJZVUSV-OAHLLOKOSA-N -1 1 286.335 1.660 20 0 CDADMM CCO[C@H](C)C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000345499538 1164341589 /nfs/dbraw/zinc/34/15/89/1164341589.db2.gz TUJFOVMYBYKSEN-SECBINFHSA-N -1 1 291.311 1.142 20 0 CDADMM Cc1nc(COC(=O)c2cc(C(=O)[O-])oc2C)n[nH]1 ZINC001607936557 1164344922 /nfs/dbraw/zinc/34/49/22/1164344922.db2.gz JRMREUUFNUEWKV-UHFFFAOYSA-N -1 1 265.225 1.070 20 0 CDADMM Cc1[nH+]c(N2CCC[C@@H]2C(=O)[O-])ccc1C(=O)[O-] ZINC001607961864 1164355010 /nfs/dbraw/zinc/35/50/10/1164355010.db2.gz AMVLDNYNMWJNMJ-SECBINFHSA-N -1 1 250.254 1.142 20 0 CDADMM Cn1nc(NC(=O)c2cccc(F)c2O)cc1C(=O)[O-] ZINC001608151744 1164426791 /nfs/dbraw/zinc/42/67/91/1164426791.db2.gz SJLMQJPGPNAGGP-UHFFFAOYSA-N -1 1 279.227 1.215 20 0 CDADMM O=C([O-])[C@@H](CC1CC1)NC(=O)c1cc2[nH]cnc2cc1F ZINC001608392326 1164504732 /nfs/dbraw/zinc/50/47/32/1164504732.db2.gz NRMMQJQVCKBEBQ-GFCCVEGCSA-N -1 1 291.282 1.685 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NC2(c3nnc[nH]3)CCC2)C1 ZINC001608621159 1164576493 /nfs/dbraw/zinc/57/64/93/1164576493.db2.gz ALPAFQMZLIOODU-NXEZZACHSA-N -1 1 292.339 1.191 20 0 CDADMM O=C([O-])CC[C@H]1CCCN(Cc2cc(=O)c(O)co2)C1 ZINC001608707782 1164612754 /nfs/dbraw/zinc/61/27/54/1164612754.db2.gz KKWNVGZZTXTJLJ-SNVBAGLBSA-N -1 1 281.308 1.422 20 0 CDADMM O=C([O-])[C@]12CCC[C@H]1N(Cc1cnc(Cl)cn1)CC2 ZINC001608825068 1164653665 /nfs/dbraw/zinc/65/36/65/1164653665.db2.gz NPVMNAZOQHCQNL-MFKMUULPSA-N -1 1 281.743 1.959 20 0 CDADMM O=C([O-])c1ccc(NC(=O)[C@@H]2CCCc3n[nH]nc32)s1 ZINC001608899803 1164679875 /nfs/dbraw/zinc/67/98/75/1164679875.db2.gz KGTUKZKPNFZOBS-ZCFIWIBFSA-N -1 1 292.320 1.623 20 0 CDADMM CC(C)CC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001609093552 1164766019 /nfs/dbraw/zinc/76/60/19/1164766019.db2.gz HRJMAPARCGKRCR-UHFFFAOYSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)CC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001609093552 1164766025 /nfs/dbraw/zinc/76/60/25/1164766025.db2.gz HRJMAPARCGKRCR-UHFFFAOYSA-N -1 1 287.371 1.919 20 0 CDADMM C[C@@H](Cn1cncc(-c2nn[n-]n2)c1=O)c1ccccc1 ZINC001609116291 1164780407 /nfs/dbraw/zinc/78/04/07/1164780407.db2.gz GKGNTKSVJRLOBA-JTQLQIEISA-N -1 1 282.307 1.227 20 0 CDADMM CC1(C)CC[C@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001609144862 1164792886 /nfs/dbraw/zinc/79/28/86/1164792886.db2.gz QQVGUNCLEKLNPB-JTQLQIEISA-N -1 1 287.323 1.997 20 0 CDADMM CC1(C)CC[C@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001609144862 1164792894 /nfs/dbraw/zinc/79/28/94/1164792894.db2.gz QQVGUNCLEKLNPB-JTQLQIEISA-N -1 1 287.323 1.997 20 0 CDADMM C[C@H]1CC(Nc2ccnc(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC001609157186 1164802549 /nfs/dbraw/zinc/80/25/49/1164802549.db2.gz IFIFGMDBTBGPEU-IUCAKERBSA-N -1 1 274.328 1.052 20 0 CDADMM C[C@H]1CC(Nc2ccnc(-c3nn[n-]n3)c2)C[C@H](C)O1 ZINC001609157186 1164802552 /nfs/dbraw/zinc/80/25/52/1164802552.db2.gz IFIFGMDBTBGPEU-IUCAKERBSA-N -1 1 274.328 1.052 20 0 CDADMM C[C@@H]1CC[C@H](C)CN1c1cc(-c2nnn[n-]2)ncn1 ZINC001609161676 1164808234 /nfs/dbraw/zinc/80/82/34/1164808234.db2.gz XKZDQDSRUUYPIA-DTWKUNHWSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@@H]1CC[C@H](C)CN1c1cc(-c2nn[n-]n2)ncn1 ZINC001609161676 1164808242 /nfs/dbraw/zinc/80/82/42/1164808242.db2.gz XKZDQDSRUUYPIA-DTWKUNHWSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001609200617 1164842487 /nfs/dbraw/zinc/84/24/87/1164842487.db2.gz ASCZFGWBNMKMDV-QMMMGPOBSA-N -1 1 261.285 1.393 20 0 CDADMM CC[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609200617 1164842491 /nfs/dbraw/zinc/84/24/91/1164842491.db2.gz ASCZFGWBNMKMDV-QMMMGPOBSA-N -1 1 261.285 1.393 20 0 CDADMM CC/C=C\CCOC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609203346 1164846339 /nfs/dbraw/zinc/84/63/39/1164846339.db2.gz JGDZFFNLSHFEKK-ARJAWSKDSA-N -1 1 273.296 1.775 20 0 CDADMM CC/C=C\CCOC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609203346 1164846343 /nfs/dbraw/zinc/84/63/43/1164846343.db2.gz JGDZFFNLSHFEKK-ARJAWSKDSA-N -1 1 273.296 1.775 20 0 CDADMM CCn1cc([C@H](C)Nc2cc(C)nc(-c3nnn[n-]3)c2)cn1 ZINC001609258625 1164866167 /nfs/dbraw/zinc/86/61/67/1164866167.db2.gz FEDUFAYQQZJREI-JTQLQIEISA-N -1 1 298.354 1.382 20 0 CDADMM CCn1cc([C@H](C)Nc2cc(C)nc(-c3nn[n-]n3)c2)cn1 ZINC001609258625 1164866171 /nfs/dbraw/zinc/86/61/71/1164866171.db2.gz FEDUFAYQQZJREI-JTQLQIEISA-N -1 1 298.354 1.382 20 0 CDADMM CCn1nc(C)c(Nc2nc(C)cc(-c3nnn[n-]3)n2)c1C ZINC001609259928 1164870272 /nfs/dbraw/zinc/87/02/72/1164870272.db2.gz YQZPHBHMNGOVFY-UHFFFAOYSA-N -1 1 299.342 1.542 20 0 CDADMM CCn1nc(C)c(Nc2nc(C)cc(-c3nn[n-]n3)n2)c1C ZINC001609259928 1164870274 /nfs/dbraw/zinc/87/02/74/1164870274.db2.gz YQZPHBHMNGOVFY-UHFFFAOYSA-N -1 1 299.342 1.542 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]2C(C)C)n1 ZINC001609391546 1164922956 /nfs/dbraw/zinc/92/29/56/1164922956.db2.gz MXQWMNGGJWNDTM-LLVKDONJSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]2C(C)C)n1 ZINC001609391546 1164922960 /nfs/dbraw/zinc/92/29/60/1164922960.db2.gz MXQWMNGGJWNDTM-LLVKDONJSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@H](C)c2ccco2)c1-c1nn[n-]n1 ZINC001609444017 1164951656 /nfs/dbraw/zinc/95/16/56/1164951656.db2.gz FLIZYEJECDSFDB-ZCFIWIBFSA-N -1 1 287.283 1.233 20 0 CDADMM Cc1nc(CNc2ccc(C)c(-c3nnn[n-]3)n2)cs1 ZINC001609450335 1164953227 /nfs/dbraw/zinc/95/32/27/1164953227.db2.gz KGNTUBMNSDQFFS-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1nc(CNc2ccc(C)c(-c3nn[n-]n3)n2)cs1 ZINC001609450335 1164953231 /nfs/dbraw/zinc/95/32/31/1164953231.db2.gz KGNTUBMNSDQFFS-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1ccn(C[C@H](C)C(=O)Nc2c(C)[n-][nH]c2=O)n1 ZINC000868544756 1164960864 /nfs/dbraw/zinc/96/08/64/1164960864.db2.gz HYXFRTRZAXFBFE-ZETCQYMHSA-N -1 1 263.301 1.203 20 0 CDADMM Cc1nsc(N2CC(C)(F)C2)c1-c1nn[n-]n1 ZINC001609464006 1164961573 /nfs/dbraw/zinc/96/15/73/1164961573.db2.gz LTDLMDYCDPIVGX-UHFFFAOYSA-N -1 1 254.294 1.180 20 0 CDADMM Cc1occc1CNCc1nc(-c2nnn[n-]2)cs1 ZINC001609470690 1164964234 /nfs/dbraw/zinc/96/42/34/1164964234.db2.gz KDYNBUJXXGRKHD-UHFFFAOYSA-N -1 1 276.325 1.514 20 0 CDADMM O=C(OCCCCCF)c1ccnc(-c2nnn[n-]2)c1 ZINC001609574184 1164994990 /nfs/dbraw/zinc/99/49/90/1164994990.db2.gz LPKJUKFFMRHOBT-UHFFFAOYSA-N -1 1 279.275 1.558 20 0 CDADMM O=C(OCCCCCF)c1ccnc(-c2nn[n-]n2)c1 ZINC001609574184 1164994995 /nfs/dbraw/zinc/99/49/95/1164994995.db2.gz LPKJUKFFMRHOBT-UHFFFAOYSA-N -1 1 279.275 1.558 20 0 CDADMM OCCCCCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001609609865 1165005390 /nfs/dbraw/zinc/00/53/90/1165005390.db2.gz SEAYLFNYPGOJKQ-UHFFFAOYSA-N -1 1 288.764 1.551 20 0 CDADMM OCCCCCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609609865 1165005394 /nfs/dbraw/zinc/00/53/94/1165005394.db2.gz SEAYLFNYPGOJKQ-UHFFFAOYSA-N -1 1 288.764 1.551 20 0 CDADMM c1cc(-c2nc([C@H]3CCCO3)no2)sc1-c1nnn[n-]1 ZINC001609612664 1165006600 /nfs/dbraw/zinc/00/66/00/1165006600.db2.gz IGISJPPNNWKOAA-ZCFIWIBFSA-N -1 1 290.308 1.830 20 0 CDADMM c1cc(-c2nc([C@H]3CCCO3)no2)sc1-c1nn[n-]n1 ZINC001609612664 1165006605 /nfs/dbraw/zinc/00/66/05/1165006605.db2.gz IGISJPPNNWKOAA-ZCFIWIBFSA-N -1 1 290.308 1.830 20 0 CDADMM c1ccc2c(c1)OC[C@H]2CNc1cccc(-c2nnn[n-]2)n1 ZINC001609614570 1165008827 /nfs/dbraw/zinc/00/88/27/1165008827.db2.gz APZKSRMKPAMWDS-SNVBAGLBSA-N -1 1 294.318 1.850 20 0 CDADMM c1ccc2c(c1)OC[C@H]2CNc1cccc(-c2nn[n-]n2)n1 ZINC001609614570 1165008830 /nfs/dbraw/zinc/00/88/30/1165008830.db2.gz APZKSRMKPAMWDS-SNVBAGLBSA-N -1 1 294.318 1.850 20 0 CDADMM COC[C@H](NCc1cccc(C(=O)[O-])n1)[C@H]1CCCO1 ZINC001610251295 1165273458 /nfs/dbraw/zinc/27/34/58/1165273458.db2.gz SKOAPFUPWJUHGN-QWHCGFSZSA-N -1 1 280.324 1.063 20 0 CDADMM Cc1cc(C(=O)N([C@H](C)C(=O)[O-])C2CCC2)n[nH]1 ZINC001610434239 1165315360 /nfs/dbraw/zinc/31/53/60/1165315360.db2.gz LSTUWPAQORZTJV-MRVPVSSYSA-N -1 1 251.286 1.186 20 0 CDADMM Cc1cc(CNC(=O)c2cccc(CC(=O)[O-])c2)n[nH]1 ZINC001610458916 1165319495 /nfs/dbraw/zinc/31/94/95/1165319495.db2.gz FJIDNGMXXFAOLD-UHFFFAOYSA-N -1 1 273.292 1.275 20 0 CDADMM Cc1nn(-c2cccc(F)c2)cc1CN[C@H](CF)C(=O)[O-] ZINC001610567781 1165359826 /nfs/dbraw/zinc/35/98/26/1165359826.db2.gz YNLWESOSWIYASG-CYBMUJFWSA-N -1 1 295.289 1.832 20 0 CDADMM O=C([O-])C[C@@]1(NC/C(Cl)=C/Cl)CCCOC1 ZINC001610758474 1165431991 /nfs/dbraw/zinc/43/19/91/1165431991.db2.gz NWQZAPJADKEONI-NVDWLVSRSA-N -1 1 268.140 1.919 20 0 CDADMM O=C([O-])C[C@@H]1CCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC001610762992 1165433358 /nfs/dbraw/zinc/43/33/58/1165433358.db2.gz LFFCZINYJYBTII-LBPRGKRZSA-N -1 1 263.293 1.824 20 0 CDADMM Cn1cc(C(=O)Nc2c[n-][nH]c2=O)c(-c2ccncc2)n1 ZINC001611380774 1165492597 /nfs/dbraw/zinc/49/25/97/1165492597.db2.gz XAHMCXFANLSBJO-UHFFFAOYSA-N -1 1 284.279 1.163 20 0 CDADMM O=C(NCCn1ccnc1)c1ncc2ccccc2c1[O-] ZINC001624445977 1165843013 /nfs/dbraw/zinc/84/30/13/1165843013.db2.gz XNGJZNQIWWPCCM-UHFFFAOYSA-N -1 1 282.303 1.567 20 0 CDADMM CC[C@@H](C)OCC(=O)NC(CC)(CC)c1nn[n-]n1 ZINC001626908328 1165966496 /nfs/dbraw/zinc/96/64/96/1165966496.db2.gz ANDOEZLYFQYSOF-SECBINFHSA-N -1 1 269.349 1.146 20 0 CDADMM O=C(OCc1nn[n-]n1)[C@@H]1SCCc2ccccc21 ZINC001649228276 1166163503 /nfs/dbraw/zinc/16/35/03/1166163503.db2.gz OJNUKBDTOJXSHV-LLVKDONJSA-N -1 1 276.321 1.274 20 0 CDADMM Cc1ccoc1CC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001630783285 1166232245 /nfs/dbraw/zinc/23/22/45/1166232245.db2.gz MSKYBICRDMZKTR-CQSZACIVSA-N -1 1 297.318 1.549 20 0 CDADMM Cn1cccc(NC(=O)c2cccc([O-])c2F)c1=O ZINC001632899212 1166384924 /nfs/dbraw/zinc/38/49/24/1166384924.db2.gz KJVOMCLEIALCLQ-UHFFFAOYSA-N -1 1 262.240 1.482 20 0 CDADMM Cc1nncn1CCNC(=O)c1ncc2ccccc2c1[O-] ZINC001634112679 1166471264 /nfs/dbraw/zinc/47/12/64/1166471264.db2.gz LVNVNYSRDPJWJO-UHFFFAOYSA-N -1 1 297.318 1.270 20 0 CDADMM Cn1c(Cl)cnc1CN(CCC(=O)[O-])CC1CC1 ZINC000717159766 1166493276 /nfs/dbraw/zinc/49/32/76/1166493276.db2.gz PQGZGDRPBMBIOX-UHFFFAOYSA-N -1 1 271.748 1.760 20 0 CDADMM O=C(NCc1ccc[nH]c1=O)c1ncc2ccccc2c1[O-] ZINC001634910115 1166546273 /nfs/dbraw/zinc/54/62/73/1166546273.db2.gz JAKQUHVISUNIBP-UHFFFAOYSA-N -1 1 295.298 1.971 20 0 CDADMM O=C(OCc1nn[n-]n1)c1cc2c(s1)CCCCC2 ZINC000095218037 1166609558 /nfs/dbraw/zinc/60/95/58/1166609558.db2.gz GPECOIRUDUHMDS-UHFFFAOYSA-N -1 1 278.337 1.887 20 0 CDADMM N#CCSCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000050603648 1166669876 /nfs/dbraw/zinc/66/98/76/1166669876.db2.gz QEDAHWSXLSOEAI-UHFFFAOYSA-N -1 1 265.220 1.019 20 0 CDADMM O=C(Nc1n[nH]c2ncnn12)c1ccc([O-])c(Cl)c1 ZINC001636998638 1166713191 /nfs/dbraw/zinc/71/31/91/1166713191.db2.gz WEXPNSXVWQJTNR-UHFFFAOYSA-N -1 1 278.659 1.064 20 0 CDADMM O=C(NCCC1COC1)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155269914 1167112350 /nfs/dbraw/zinc/11/23/50/1167112350.db2.gz UUEVBQJERMISOP-UHFFFAOYSA-N -1 1 261.281 1.035 20 0 CDADMM O=C(NCc1nc([O-])cc(=O)[nH]1)c1cccc2cnccc21 ZINC001641493583 1167112459 /nfs/dbraw/zinc/11/24/59/1167112459.db2.gz SSQYOXZICBEDAY-UHFFFAOYSA-N -1 1 296.286 1.366 20 0 CDADMM Cc1[n-][nH]c2ncnc(=NC(=O)c3cc4n[nH]cc4s3)c1-2 ZINC001155546218 1167224567 /nfs/dbraw/zinc/22/45/67/1167224567.db2.gz PHAGYIVWTPGFGU-UHFFFAOYSA-N -1 1 299.319 1.225 20 0 CDADMM C[C@H](C(=O)OCc1nc(=O)n(C)[n-]1)c1ccc(F)cc1F ZINC001645682275 1167464080 /nfs/dbraw/zinc/46/40/80/1167464080.db2.gz BHKHBVGCRKEQGS-ZETCQYMHSA-N -1 1 297.261 1.234 20 0 CDADMM CSc1ncc(C(=O)NC/C=C/Cl)c(=O)[n-]1 ZINC001646517180 1167895653 /nfs/dbraw/zinc/89/56/53/1167895653.db2.gz ITMPIEPAIIPZLI-NSCUHMNNSA-N -1 1 259.718 1.386 20 0 CDADMM COc1ccc(-c2cc(C(=O)Nc3nn[n-]n3)no2)cc1 ZINC001565960721 1168086729 /nfs/dbraw/zinc/08/67/29/1168086729.db2.gz VNKYUIPZBJDSLU-UHFFFAOYSA-N -1 1 286.251 1.116 20 0 CDADMM CC(=O)Nc1ccc(NC(=O)c2ccc(O)cc2[O-])nc1 ZINC001647137277 1168401619 /nfs/dbraw/zinc/40/16/19/1168401619.db2.gz SXMDKYHAFBFIKH-UHFFFAOYSA-N -1 1 287.275 1.704 20 0 CDADMM CCc1n[nH]c(=O)c(C(=O)Nc2c(C)[n-][nH]c2=O)c1CC ZINC001647214413 1168456700 /nfs/dbraw/zinc/45/67/00/1168456700.db2.gz WRPMFJWKSMQUNN-UHFFFAOYSA-N -1 1 291.311 1.296 20 0 CDADMM COc1cncc(S(=O)(=O)[N-]C2(C(F)(F)F)CC2)c1 ZINC001647387606 1168635748 /nfs/dbraw/zinc/63/57/48/1168635748.db2.gz BQLCZDIHBXPUJY-UHFFFAOYSA-N -1 1 296.270 1.463 20 0 CDADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC[C@@H](CCO)C1 ZINC001647410671 1168655894 /nfs/dbraw/zinc/65/58/94/1168655894.db2.gz WCCQEAATVHYWGK-JTQLQIEISA-N -1 1 291.351 1.294 20 0 CDADMM O=C(COC(=O)c1nccs1)c1ccc([O-])cc1O ZINC001649774509 1169353594 /nfs/dbraw/zinc/35/35/94/1169353594.db2.gz CDJLUDLORKLDNR-UHFFFAOYSA-N -1 1 279.273 1.594 20 0 CDADMM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1cccc(F)c1O ZINC001573601334 1170703108 /nfs/dbraw/zinc/70/31/08/1170703108.db2.gz NTICJUGMGXZZBC-YGRLFVJLSA-N -1 1 281.283 1.905 20 0 CDADMM C[C@@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1)c1ccccn1 ZINC001574098546 1170878380 /nfs/dbraw/zinc/87/83/80/1170878380.db2.gz CLQFLTWDJUGVHO-NEPJUHHUSA-N -1 1 291.351 1.055 20 0 CDADMM CC(C)[C@@H]1C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001574393589 1170966784 /nfs/dbraw/zinc/96/67/84/1170966784.db2.gz PQDIORKZUFOQMU-IUCAKERBSA-N -1 1 291.380 1.950 20 0 CDADMM CC(C)[C@@H]1C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001574393589 1170966790 /nfs/dbraw/zinc/96/67/90/1170966790.db2.gz PQDIORKZUFOQMU-IUCAKERBSA-N -1 1 291.380 1.950 20 0 CDADMM O=C([O-])[C@@H]1C[C@H]1CN1CCc2nc[nH]c2C12CCC2 ZINC001574395423 1170968959 /nfs/dbraw/zinc/96/89/59/1170968959.db2.gz GHDBLHJKXQJFDY-VHSXEESVSA-N -1 1 261.325 1.368 20 0 CDADMM O=C([O-])c1cnn2cc(CN[C@@H]3CCCC[C@H]3F)cnc12 ZINC001574422550 1170977943 /nfs/dbraw/zinc/97/79/43/1170977943.db2.gz GKTDZGCKFCHVLX-VXGBXAGGSA-N -1 1 292.314 1.798 20 0 CDADMM CCc1noc(CCCC(=O)Nc2c[n-][nH]c2=O)n1 ZINC001654600113 1171622336 /nfs/dbraw/zinc/62/23/36/1171622336.db2.gz PQUFGDPKYUKDPC-UHFFFAOYSA-N -1 1 265.273 1.022 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)[C@H]1CCOc2ccccc21 ZINC001654603503 1171624331 /nfs/dbraw/zinc/62/43/31/1171624331.db2.gz QIAPAUWZAMCSAJ-VIFPVBQESA-N -1 1 259.265 1.620 20 0 CDADMM Cc1nc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)oc1C ZINC001581485381 1172612757 /nfs/dbraw/zinc/61/27/57/1172612757.db2.gz DODWJZCNPZTJTI-UHFFFAOYSA-N -1 1 299.294 1.048 20 0 CDADMM Cc1nc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)oc1C ZINC001581485381 1172612762 /nfs/dbraw/zinc/61/27/62/1172612762.db2.gz DODWJZCNPZTJTI-UHFFFAOYSA-N -1 1 299.294 1.048 20 0 CDADMM Cc1ncccc1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001581562335 1172615593 /nfs/dbraw/zinc/61/55/93/1172615593.db2.gz QFHJMIPQPKXBFY-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM Cc1ncccc1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001581562335 1172615596 /nfs/dbraw/zinc/61/55/96/1172615596.db2.gz QFHJMIPQPKXBFY-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM Cc1nsc(NCc2ccc[nH]c2=O)c1-c1nn[n-]n1 ZINC001581721493 1172619579 /nfs/dbraw/zinc/61/95/79/1172619579.db2.gz OEDCPPJDWBOCRT-UHFFFAOYSA-N -1 1 289.324 1.344 20 0 CDADMM O=C(C=Cc1cccc(F)c1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001581955213 1172633795 /nfs/dbraw/zinc/63/37/95/1172633795.db2.gz RFTFYBZAGOVSRG-PLNGDYQASA-N -1 1 299.269 1.381 20 0 CDADMM Cc1noc2ncc(NC(=O)c3ccc([O-])cn3)cc12 ZINC001584041677 1172796988 /nfs/dbraw/zinc/79/69/88/1172796988.db2.gz YGMDSIJARSGVGI-UHFFFAOYSA-N -1 1 270.248 1.884 20 0 CDADMM Cc1nc2c(cccc2C(=O)N2CC[C@H](c3nn[n-]n3)C2)o1 ZINC001588217968 1173017802 /nfs/dbraw/zinc/01/78/02/1173017802.db2.gz LMOGMZOSRCQOFQ-VIFPVBQESA-N -1 1 298.306 1.279 20 0 CDADMM CC(C)(CNc1ccnc(-c2nnn[n-]2)c1)C1CCC1 ZINC001589293420 1173133419 /nfs/dbraw/zinc/13/34/19/1173133419.db2.gz XQHFKZLNIWNPAV-UHFFFAOYSA-N -1 1 272.356 1.922 20 0 CDADMM CC(C)(CNc1ccnc(-c2nn[n-]n2)c1)C1CCC1 ZINC001589293420 1173133422 /nfs/dbraw/zinc/13/34/22/1173133422.db2.gz XQHFKZLNIWNPAV-UHFFFAOYSA-N -1 1 272.356 1.922 20 0 CDADMM CC(C)C[C@H](C)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589551047 1173158508 /nfs/dbraw/zinc/15/85/08/1173158508.db2.gz SJKHOUVPENMFMC-VIFPVBQESA-N -1 1 274.328 1.426 20 0 CDADMM CC(C)C[C@H](C)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589551047 1173158511 /nfs/dbraw/zinc/15/85/11/1173158511.db2.gz SJKHOUVPENMFMC-VIFPVBQESA-N -1 1 274.328 1.426 20 0 CDADMM CC(C)CO[C@@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001589639120 1173166214 /nfs/dbraw/zinc/16/62/14/1173166214.db2.gz SMKXFDFDIBMDAF-VIFPVBQESA-N -1 1 294.311 1.564 20 0 CDADMM CC(C)CO[C@@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001589639120 1173166220 /nfs/dbraw/zinc/16/62/20/1173166220.db2.gz SMKXFDFDIBMDAF-VIFPVBQESA-N -1 1 294.311 1.564 20 0 CDADMM CC(C)O[C@H]1CCCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001589739223 1173171511 /nfs/dbraw/zinc/17/15/11/1173171511.db2.gz HAIGRVXCLSPASS-JTQLQIEISA-N -1 1 289.343 1.051 20 0 CDADMM C[C@H](CNc1cc(-c2nnn[n-]2)ncn1)c1ccncc1 ZINC001589876098 1173192619 /nfs/dbraw/zinc/19/26/19/1173192619.db2.gz OEDFDZNVXXYQCH-SECBINFHSA-N -1 1 282.311 1.267 20 0 CDADMM C[C@H](CNc1cc(-c2nn[n-]n2)ncn1)c1ccncc1 ZINC001589876098 1173192624 /nfs/dbraw/zinc/19/26/24/1173192624.db2.gz OEDFDZNVXXYQCH-SECBINFHSA-N -1 1 282.311 1.267 20 0 CDADMM C[C@@H](CNc1ncncc1-c1nn[n-]n1)c1ccccn1 ZINC001589880638 1173193015 /nfs/dbraw/zinc/19/30/15/1173193015.db2.gz KWVYQFKSSQYHJH-VIFPVBQESA-N -1 1 282.311 1.267 20 0 CDADMM CC1(C)C[C@H](Sc2ncncc2-c2nnn[n-]2)CO1 ZINC001590086267 1173252235 /nfs/dbraw/zinc/25/22/35/1173252235.db2.gz YUCFXKIKZTVFML-ZETCQYMHSA-N -1 1 278.341 1.316 20 0 CDADMM CC1(C)C[C@H](Sc2ncncc2-c2nn[n-]n2)CO1 ZINC001590086267 1173252242 /nfs/dbraw/zinc/25/22/42/1173252242.db2.gz YUCFXKIKZTVFML-ZETCQYMHSA-N -1 1 278.341 1.316 20 0 CDADMM CC1(C)CN(C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)C1 ZINC001590102860 1173257483 /nfs/dbraw/zinc/25/74/83/1173257483.db2.gz WKPTWFRMMSQMCQ-UHFFFAOYSA-N -1 1 293.277 1.627 20 0 CDADMM CC1(C)CN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)C1 ZINC001590102860 1173257489 /nfs/dbraw/zinc/25/74/89/1173257489.db2.gz WKPTWFRMMSQMCQ-UHFFFAOYSA-N -1 1 293.277 1.627 20 0 CDADMM CC1(C)CCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590094996 1173257852 /nfs/dbraw/zinc/25/78/52/1173257852.db2.gz MWCDSXOJJNCCRF-SNVBAGLBSA-N -1 1 275.312 1.768 20 0 CDADMM CC1(C)CCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590094996 1173257856 /nfs/dbraw/zinc/25/78/56/1173257856.db2.gz MWCDSXOJJNCCRF-SNVBAGLBSA-N -1 1 275.312 1.768 20 0 CDADMM C[C@H]1C[C@H](C)CN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590189016 1173283715 /nfs/dbraw/zinc/28/37/15/1173283715.db2.gz UJLRZAXQPRYIAU-IUCAKERBSA-N -1 1 275.312 1.578 20 0 CDADMM C[C@H]1C[C@H](C)CN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590189016 1173283720 /nfs/dbraw/zinc/28/37/20/1173283720.db2.gz UJLRZAXQPRYIAU-IUCAKERBSA-N -1 1 275.312 1.578 20 0 CDADMM C[C@H]1C[C@H](C)N(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590189637 1173285444 /nfs/dbraw/zinc/28/54/44/1173285444.db2.gz IOCFVISSVMEUGP-IUCAKERBSA-N -1 1 272.312 1.132 20 0 CDADMM C[C@H]1C[C@H](C)N(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590189637 1173285448 /nfs/dbraw/zinc/28/54/48/1173285448.db2.gz IOCFVISSVMEUGP-IUCAKERBSA-N -1 1 272.312 1.132 20 0 CDADMM CC1CC(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCCC3)C1 ZINC001590192462 1173287557 /nfs/dbraw/zinc/28/75/57/1173287557.db2.gz JTLKIWOMKGGKOY-UHFFFAOYSA-N -1 1 299.378 1.953 20 0 CDADMM C[C@@H]1C[C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)CCS1 ZINC001590202708 1173290455 /nfs/dbraw/zinc/29/04/55/1173290455.db2.gz HKFVWSYUZALJDF-VXNVDRBHSA-N -1 1 293.352 1.474 20 0 CDADMM C[C@@H]1C[C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)CCS1 ZINC001590202708 1173290463 /nfs/dbraw/zinc/29/04/63/1173290463.db2.gz HKFVWSYUZALJDF-VXNVDRBHSA-N -1 1 293.352 1.474 20 0 CDADMM C[C@@H]1C[C@H]1c1noc(-c2coc(-c3nnn[n-]3)c2)n1 ZINC001590220516 1173300186 /nfs/dbraw/zinc/30/01/86/1173300186.db2.gz PUVOPGYNFWOBLM-IYSWYEEDSA-N -1 1 258.241 1.633 20 0 CDADMM C[C@@H]1C[C@H]1c1noc(-c2coc(-c3nn[n-]n3)c2)n1 ZINC001590220516 1173300196 /nfs/dbraw/zinc/30/01/96/1173300196.db2.gz PUVOPGYNFWOBLM-IYSWYEEDSA-N -1 1 258.241 1.633 20 0 CDADMM C[C@@H]1CC[C@@H](NC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590236694 1173309619 /nfs/dbraw/zinc/30/96/19/1173309619.db2.gz LENDVWAGAXAIBP-VXNVDRBHSA-N -1 1 261.285 1.378 20 0 CDADMM C[C@@H]1CC[C@@H](NC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590236694 1173309625 /nfs/dbraw/zinc/30/96/25/1173309625.db2.gz LENDVWAGAXAIBP-VXNVDRBHSA-N -1 1 261.285 1.378 20 0 CDADMM C[C@@H]1CC[C@@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590239655 1173309727 /nfs/dbraw/zinc/30/97/27/1173309727.db2.gz JVFNWNDXMDEXOE-SVRRBLITSA-N -1 1 263.326 1.457 20 0 CDADMM C[C@@H]1CCCN1C(=O)c1ccsc1-c1nn[n-]n1 ZINC001590265723 1173328166 /nfs/dbraw/zinc/32/81/66/1173328166.db2.gz WHGDVEDVWRVFKN-SSDOTTSWSA-N -1 1 263.326 1.553 20 0 CDADMM C[C@H]1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001590251654 1173320265 /nfs/dbraw/zinc/32/02/65/1173320265.db2.gz XWBJJXUYYJNURA-IUCAKERBSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@H]1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001590251654 1173320273 /nfs/dbraw/zinc/32/02/73/1173320273.db2.gz XWBJJXUYYJNURA-IUCAKERBSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@@H]1CCCN1C(=O)c1ccsc1-c1nnn[n-]1 ZINC001590265723 1173328160 /nfs/dbraw/zinc/32/81/60/1173328160.db2.gz WHGDVEDVWRVFKN-SSDOTTSWSA-N -1 1 263.326 1.553 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)CCC1(F)F ZINC001590297328 1173339710 /nfs/dbraw/zinc/33/97/10/1173339710.db2.gz CMLQRTIZCSBTOL-ZETCQYMHSA-N -1 1 297.265 1.577 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)CCC1(F)F ZINC001590297328 1173339718 /nfs/dbraw/zinc/33/97/18/1173339718.db2.gz CMLQRTIZCSBTOL-ZETCQYMHSA-N -1 1 297.265 1.577 20 0 CDADMM C[C@H]1Cc2cnccc2N1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590332607 1173359921 /nfs/dbraw/zinc/35/99/21/1173359921.db2.gz ZCBOJNBOVSUCKP-QMMMGPOBSA-N -1 1 296.290 1.446 20 0 CDADMM CC[C@H](C(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccccc1 ZINC001590372331 1173380074 /nfs/dbraw/zinc/38/00/74/1173380074.db2.gz RPZQEFDKSAGKKC-JTQLQIEISA-N -1 1 297.322 1.479 20 0 CDADMM CC[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001590515075 1173445684 /nfs/dbraw/zinc/44/56/84/1173445684.db2.gz VIPFCZMKJPMZBO-ZJUUUORDSA-N -1 1 258.329 1.887 20 0 CDADMM CC[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001590515075 1173445690 /nfs/dbraw/zinc/44/56/90/1173445690.db2.gz VIPFCZMKJPMZBO-ZJUUUORDSA-N -1 1 258.329 1.887 20 0 CDADMM CC[C@@H]1CCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590515087 1173447283 /nfs/dbraw/zinc/44/72/83/1173447283.db2.gz VWBGKIMUXOYXMB-SECBINFHSA-N -1 1 287.327 1.526 20 0 CDADMM CC[C@@H]1CCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590515087 1173447287 /nfs/dbraw/zinc/44/72/87/1173447287.db2.gz VWBGKIMUXOYXMB-SECBINFHSA-N -1 1 287.327 1.526 20 0 CDADMM CC[C@@H]1CO[C@H](C)CN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590524749 1173451610 /nfs/dbraw/zinc/45/16/10/1173451610.db2.gz SEPIBZVXQUAFGP-RKDXNWHRSA-N -1 1 291.311 1.099 20 0 CDADMM CC[C@@H]1CO[C@H](C)CN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590524749 1173451615 /nfs/dbraw/zinc/45/16/15/1173451615.db2.gz SEPIBZVXQUAFGP-RKDXNWHRSA-N -1 1 291.311 1.099 20 0 CDADMM CCC/C(C)=C/C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001590543464 1173458000 /nfs/dbraw/zinc/45/80/00/1173458000.db2.gz MTDIRJYHVUZCCM-CSKARUKUSA-N -1 1 286.339 1.971 20 0 CDADMM CCC/C(C)=C/C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001590543464 1173458004 /nfs/dbraw/zinc/45/80/04/1173458004.db2.gz MTDIRJYHVUZCCM-CSKARUKUSA-N -1 1 286.339 1.971 20 0 CDADMM CCCCCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590599000 1173472772 /nfs/dbraw/zinc/47/27/72/1173472772.db2.gz QLQKMHSBNNXMAQ-UHFFFAOYSA-N -1 1 265.342 1.848 20 0 CDADMM CCCn1cc(Nc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001590663894 1173483295 /nfs/dbraw/zinc/48/32/95/1173483295.db2.gz AQNVCDZWMTWRCQ-UHFFFAOYSA-N -1 1 271.288 1.007 20 0 CDADMM CCCn1cc(Nc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001590663894 1173483301 /nfs/dbraw/zinc/48/33/01/1173483301.db2.gz AQNVCDZWMTWRCQ-UHFFFAOYSA-N -1 1 271.288 1.007 20 0 CDADMM CCOCc1ccc(Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001590816652 1173520384 /nfs/dbraw/zinc/52/03/84/1173520384.db2.gz OZLUVTBTVPJEKO-UHFFFAOYSA-N -1 1 297.322 1.359 20 0 CDADMM CCc1nc(NC[C@@H]2CCC=CO2)cc(-c2nnn[n-]2)n1 ZINC001590918108 1173545295 /nfs/dbraw/zinc/54/52/95/1173545295.db2.gz QHUOODATFSYKSU-VIFPVBQESA-N -1 1 287.327 1.324 20 0 CDADMM CCc1nc(NC[C@@H]2CCC=CO2)cc(-c2nn[n-]n2)n1 ZINC001590918108 1173545302 /nfs/dbraw/zinc/54/53/02/1173545302.db2.gz QHUOODATFSYKSU-VIFPVBQESA-N -1 1 287.327 1.324 20 0 CDADMM CN(C[C@@H]1CC1(C)C)c1cccnc1-c1nnn[n-]1 ZINC001591053993 1173567027 /nfs/dbraw/zinc/56/70/27/1173567027.db2.gz ZRDRUNLIFRDMTL-VIFPVBQESA-N -1 1 258.329 1.744 20 0 CDADMM CN(C[C@@H]1CC1(C)C)c1cccnc1-c1nn[n-]n1 ZINC001591053993 1173567029 /nfs/dbraw/zinc/56/70/29/1173567029.db2.gz ZRDRUNLIFRDMTL-VIFPVBQESA-N -1 1 258.329 1.744 20 0 CDADMM CN(Cc1ccccc1)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591148642 1173582506 /nfs/dbraw/zinc/58/25/06/1173582506.db2.gz YOWXFDDBBZSVPR-UHFFFAOYSA-N -1 1 294.318 1.534 20 0 CDADMM CN(Cc1ccccc1)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591148642 1173582512 /nfs/dbraw/zinc/58/25/12/1173582512.db2.gz YOWXFDDBBZSVPR-UHFFFAOYSA-N -1 1 294.318 1.534 20 0 CDADMM COC(=O)c1ccc(NC2CC=CC2)c(-c2nnn[n-]2)n1 ZINC001591296362 1173598418 /nfs/dbraw/zinc/59/84/18/1173598418.db2.gz UMAVFFQYLFPOMT-UHFFFAOYSA-N -1 1 286.295 1.179 20 0 CDADMM COC(=O)c1ccc(NC2CC=CC2)c(-c2nn[n-]n2)n1 ZINC001591296362 1173598425 /nfs/dbraw/zinc/59/84/25/1173598425.db2.gz UMAVFFQYLFPOMT-UHFFFAOYSA-N -1 1 286.295 1.179 20 0 CDADMM COC(=O)c1ccc(NC[C@H]2C[C@H]2C)c(-c2nnn[n-]2)n1 ZINC001591295592 1173598642 /nfs/dbraw/zinc/59/86/42/1173598642.db2.gz LBOUOVXZOBNLKW-HTQZYQBOSA-N -1 1 288.311 1.116 20 0 CDADMM COC(=O)c1ccc(NC[C@H]2C[C@H]2C)c(-c2nn[n-]n2)n1 ZINC001591295592 1173598647 /nfs/dbraw/zinc/59/86/47/1173598647.db2.gz LBOUOVXZOBNLKW-HTQZYQBOSA-N -1 1 288.311 1.116 20 0 CDADMM CO[C@H]1CN(c2ccc(C)nc2-c2nnn[n-]2)CC[C@H]1C ZINC001591359630 1173628127 /nfs/dbraw/zinc/62/81/27/1173628127.db2.gz DVOUUQAAMWGTKP-SKDRFNHKSA-N -1 1 288.355 1.431 20 0 CDADMM CO[C@H]1CN(c2ccc(C)nc2-c2nn[n-]n2)CC[C@H]1C ZINC001591359630 1173628130 /nfs/dbraw/zinc/62/81/30/1173628130.db2.gz DVOUUQAAMWGTKP-SKDRFNHKSA-N -1 1 288.355 1.431 20 0 CDADMM CO[C@@]1(C)C[C@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591473582 1173659325 /nfs/dbraw/zinc/65/93/25/1173659325.db2.gz MVNRIPLBSZBLQP-MOFOKWOHSA-N -1 1 286.748 1.566 20 0 CDADMM COc1ccc(Oc2nc(C)cc(-c3nnn[n-]3)n2)cn1 ZINC001591621767 1173675907 /nfs/dbraw/zinc/67/59/07/1173675907.db2.gz XKXRJIWNCVQLDZ-UHFFFAOYSA-N -1 1 285.267 1.161 20 0 CDADMM COc1ccc(Oc2nc(C)cc(-c3nn[n-]n3)n2)cn1 ZINC001591621767 1173675911 /nfs/dbraw/zinc/67/59/11/1173675911.db2.gz XKXRJIWNCVQLDZ-UHFFFAOYSA-N -1 1 285.267 1.161 20 0 CDADMM COc1ccc2c(c1)CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001591626547 1173677206 /nfs/dbraw/zinc/67/72/06/1173677206.db2.gz KDGGNQNJYAIBIK-UHFFFAOYSA-N -1 1 295.306 1.360 20 0 CDADMM COc1ccc2c(c1)CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001591626547 1173677209 /nfs/dbraw/zinc/67/72/09/1173677209.db2.gz KDGGNQNJYAIBIK-UHFFFAOYSA-N -1 1 295.306 1.360 20 0 CDADMM C[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001591735002 1173695119 /nfs/dbraw/zinc/69/51/19/1173695119.db2.gz JUFAPZSIEGUVBZ-RKDXNWHRSA-N -1 1 259.317 1.282 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@H](C)[C@H]2C)c1 ZINC001591889065 1173738978 /nfs/dbraw/zinc/73/89/78/1173738978.db2.gz XGKYREUUEGNPBC-NXEZZACHSA-N -1 1 274.328 1.184 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@H](C)[C@H]2C)c1 ZINC001591889065 1173738983 /nfs/dbraw/zinc/73/89/83/1173738983.db2.gz XGKYREUUEGNPBC-NXEZZACHSA-N -1 1 274.328 1.184 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1 ZINC001591884401 1173740081 /nfs/dbraw/zinc/74/00/81/1173740081.db2.gz YTULYMDOMDMHDF-IWIIMEHWSA-N -1 1 288.355 1.023 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1 ZINC001591884401 1173740085 /nfs/dbraw/zinc/74/00/85/1173740085.db2.gz YTULYMDOMDMHDF-IWIIMEHWSA-N -1 1 288.355 1.023 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCc2ncccc2C)n1 ZINC001591900849 1173744358 /nfs/dbraw/zinc/74/43/58/1173744358.db2.gz FUVWCOPVGUWBCM-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCc2ncccc2C)n1 ZINC001591900849 1173744363 /nfs/dbraw/zinc/74/43/63/1173744363.db2.gz FUVWCOPVGUWBCM-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)c(C)o1 ZINC001591933324 1173746542 /nfs/dbraw/zinc/74/65/42/1173746542.db2.gz GMAUCGKDHGLAQD-UHFFFAOYSA-N -1 1 284.279 1.724 20 0 CDADMM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)c(C)o1 ZINC001591933324 1173746546 /nfs/dbraw/zinc/74/65/46/1173746546.db2.gz GMAUCGKDHGLAQD-UHFFFAOYSA-N -1 1 284.279 1.724 20 0 CDADMM Cc1cc(CNc2cc(C)cc(-c3nnn[n-]3)n2)on1 ZINC001592052929 1173789879 /nfs/dbraw/zinc/78/98/79/1173789879.db2.gz XZGKQEGYFGKLTG-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1cc(CNc2cc(C)cc(-c3nn[n-]n3)n2)on1 ZINC001592052929 1173789884 /nfs/dbraw/zinc/78/98/84/1173789884.db2.gz XZGKQEGYFGKLTG-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1ccc(-c2nnn[n-]2)nc1N1C[C@H](O)CC(C)(C)C1 ZINC001592110657 1173803016 /nfs/dbraw/zinc/80/30/16/1173803016.db2.gz RNAQFIGOMLRCIQ-SNVBAGLBSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1C[C@H](O)CC(C)(C)C1 ZINC001592110657 1173803019 /nfs/dbraw/zinc/80/30/19/1173803019.db2.gz RNAQFIGOMLRCIQ-SNVBAGLBSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(C(=O)OCc2cccnc2-c2nnn[n-]2)cn1 ZINC001592133648 1173807473 /nfs/dbraw/zinc/80/74/73/1173807473.db2.gz QXAPUWWRFPOIEA-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1ccc(C(=O)OCc2cccnc2-c2nn[n-]n2)cn1 ZINC001592133648 1173807479 /nfs/dbraw/zinc/80/74/79/1173807479.db2.gz QXAPUWWRFPOIEA-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1ccc(CCNc2ncncc2-c2nn[n-]n2)c(C)c1 ZINC001592151216 1173812403 /nfs/dbraw/zinc/81/24/03/1173812403.db2.gz JGRDFEFDEQZJJV-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(CCNc2ncncc2-c2nn[n-]n2)cc1C ZINC001592151232 1173812538 /nfs/dbraw/zinc/81/25/38/1173812538.db2.gz KBOKOMTXTICQKJ-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(N2CC[C@H](C)[C@H](F)C2)nc1-c1nnn[n-]1 ZINC001592176183 1173823161 /nfs/dbraw/zinc/82/31/61/1173823161.db2.gz XABRMYAPBBJNHR-WCBMZHEXSA-N -1 1 276.319 1.754 20 0 CDADMM Cc1ccc(N2CC[C@H](C)[C@H](F)C2)nc1-c1nn[n-]n1 ZINC001592176183 1173823163 /nfs/dbraw/zinc/82/31/63/1173823163.db2.gz XABRMYAPBBJNHR-WCBMZHEXSA-N -1 1 276.319 1.754 20 0 CDADMM Cc1ccc(NC2CCC(C)(O)CC2)c(-c2nnn[n-]2)n1 ZINC001592183964 1173827920 /nfs/dbraw/zinc/82/79/20/1173827920.db2.gz MVVYFNUZLWBEQK-UHFFFAOYSA-N -1 1 288.355 1.676 20 0 CDADMM Cc1ccc(NC2CCC(C)(O)CC2)c(-c2nn[n-]n2)n1 ZINC001592183964 1173827924 /nfs/dbraw/zinc/82/79/24/1173827924.db2.gz MVVYFNUZLWBEQK-UHFFFAOYSA-N -1 1 288.355 1.676 20 0 CDADMM Cc1cccc(C)c1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001592224449 1173833002 /nfs/dbraw/zinc/83/30/02/1173833002.db2.gz SXZUWUWYZXGWME-UHFFFAOYSA-N -1 1 295.350 1.350 20 0 CDADMM Cc1cccc(NC(=O)c2ccsc2-c2nnn[n-]2)n1 ZINC001592235721 1173835256 /nfs/dbraw/zinc/83/52/56/1173835256.db2.gz SXFOOQUPTXWNKF-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM Cc1cccc(NC(=O)c2ccsc2-c2nn[n-]n2)n1 ZINC001592235721 1173835261 /nfs/dbraw/zinc/83/52/61/1173835261.db2.gz SXFOOQUPTXWNKF-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM Cc1ccccc1OC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001592259080 1173838498 /nfs/dbraw/zinc/83/84/98/1173838498.db2.gz LPVIHWLRHPYZDA-UHFFFAOYSA-N -1 1 281.275 1.789 20 0 CDADMM Cc1ccccc1OC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001592259080 1173838502 /nfs/dbraw/zinc/83/85/02/1173838502.db2.gz LPVIHWLRHPYZDA-UHFFFAOYSA-N -1 1 281.275 1.789 20 0 CDADMM Cc1cnc(CNc2ncncc2-c2nn[n-]n2)c(C)c1 ZINC001592293646 1173848118 /nfs/dbraw/zinc/84/81/18/1173848118.db2.gz FXMIRHVFAWOFIM-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1cnc(C)c(NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001592292679 1173848172 /nfs/dbraw/zinc/84/81/72/1173848172.db2.gz OSJUJRMGKGAHRI-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1cnc(C)c(NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001592292679 1173848174 /nfs/dbraw/zinc/84/81/74/1173848174.db2.gz OSJUJRMGKGAHRI-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1cnccc1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001592300594 1173852653 /nfs/dbraw/zinc/85/26/53/1173852653.db2.gz NHPSLJNGOMLPMG-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM Cc1[nH]nc(NCc2ccc3[nH]ccc3c2)c1-c1nnn[n-]1 ZINC001592330481 1173857193 /nfs/dbraw/zinc/85/71/93/1173857193.db2.gz HRSZCEYTQFRSPR-UHFFFAOYSA-N -1 1 294.322 1.992 20 0 CDADMM Cc1[nH]nc(NCc2ccc3[nH]ccc3c2)c1-c1nn[n-]n1 ZINC001592330481 1173857201 /nfs/dbraw/zinc/85/72/01/1173857201.db2.gz HRSZCEYTQFRSPR-UHFFFAOYSA-N -1 1 294.322 1.992 20 0 CDADMM Cc1nc(NCCC2CCCC2)cc(-c2nnn[n-]2)n1 ZINC001592389594 1173880131 /nfs/dbraw/zinc/88/01/31/1173880131.db2.gz QNASIUPKMIQULC-UHFFFAOYSA-N -1 1 273.344 1.957 20 0 CDADMM Cc1nc(NCCC2CCCC2)cc(-c2nn[n-]n2)n1 ZINC001592389594 1173880135 /nfs/dbraw/zinc/88/01/35/1173880135.db2.gz QNASIUPKMIQULC-UHFFFAOYSA-N -1 1 273.344 1.957 20 0 CDADMM Cc1ncc(CNc2snc(C)c2-c2nn[n-]n2)o1 ZINC001592410391 1173880518 /nfs/dbraw/zinc/88/05/18/1173880518.db2.gz NSWWFQMIHXGAJI-UHFFFAOYSA-N -1 1 277.313 1.540 20 0 CDADMM Cc1occc1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001592511533 1173910656 /nfs/dbraw/zinc/91/06/56/1173910656.db2.gz YFHJAJQYAXVINN-UHFFFAOYSA-N -1 1 271.284 1.195 20 0 CDADMM Clc1ccc(CNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001592529655 1173913461 /nfs/dbraw/zinc/91/34/61/1173913461.db2.gz UQXWDVIJDVCUFO-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM Clc1ccc(CNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001592529655 1173913464 /nfs/dbraw/zinc/91/34/64/1173913464.db2.gz UQXWDVIJDVCUFO-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM Cn1cnc2cc(Nc3cc(-c4nn[n-]n4)ncn3)ccc21 ZINC001592588245 1173923651 /nfs/dbraw/zinc/92/36/51/1173923651.db2.gz NLWUBPGYEGYVPQ-UHFFFAOYSA-N -1 1 293.294 1.287 20 0 CDADMM FC1(F)[C@@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C[C@@H]21 ZINC001592628296 1173936053 /nfs/dbraw/zinc/93/60/53/1173936053.db2.gz UIGNXOOJORHRPR-POBXSPIYSA-N -1 1 279.254 1.112 20 0 CDADMM FC1(F)[C@@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C[C@@H]21 ZINC001592628296 1173936058 /nfs/dbraw/zinc/93/60/58/1173936058.db2.gz UIGNXOOJORHRPR-POBXSPIYSA-N -1 1 279.254 1.112 20 0 CDADMM FC1(F)C[C@@]12CCCN(c1cc(-c3nnn[n-]3)ncn1)C2 ZINC001592630886 1173939338 /nfs/dbraw/zinc/93/93/38/1173939338.db2.gz SLMCKOQEBKPDOJ-LLVKDONJSA-N -1 1 293.281 1.282 20 0 CDADMM FC1(F)C[C@@]12CCCN(c1cc(-c3nn[n-]n3)ncn1)C2 ZINC001592630886 1173939345 /nfs/dbraw/zinc/93/93/45/1173939345.db2.gz SLMCKOQEBKPDOJ-LLVKDONJSA-N -1 1 293.281 1.282 20 0 CDADMM FC1(F)CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001592630911 1173941500 /nfs/dbraw/zinc/94/15/00/1173941500.db2.gz UAVCQMLDPZCBQU-UHFFFAOYSA-N -1 1 295.297 1.316 20 0 CDADMM O=C(C[C@@H]1CCCO1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592823530 1173994352 /nfs/dbraw/zinc/99/43/52/1173994352.db2.gz UBFDXRVDERSKLB-QMMMGPOBSA-N -1 1 293.352 1.114 20 0 CDADMM O=C(CCCC1CC1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592836850 1173998723 /nfs/dbraw/zinc/99/87/23/1173998723.db2.gz QHGZTTVCPMXYNC-UHFFFAOYSA-N -1 1 286.339 1.458 20 0 CDADMM O=C(CCCC1CC1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592836850 1173998736 /nfs/dbraw/zinc/99/87/36/1173998736.db2.gz QHGZTTVCPMXYNC-UHFFFAOYSA-N -1 1 286.339 1.458 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@H]1CC12CCCC2 ZINC001592914755 1174003277 /nfs/dbraw/zinc/00/32/77/1174003277.db2.gz GNVSAGSGFXOOKN-LBPRGKRZSA-N -1 1 298.350 1.253 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H]1CC12CCCC2 ZINC001592914755 1174003284 /nfs/dbraw/zinc/00/32/84/1174003284.db2.gz GNVSAGSGFXOOKN-LBPRGKRZSA-N -1 1 298.350 1.253 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1ccccc1O ZINC001592914899 1174004569 /nfs/dbraw/zinc/00/45/69/1174004569.db2.gz BFFIHFSQFSGRQO-UHFFFAOYSA-N -1 1 296.290 1.149 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1ccccc1O ZINC001592914899 1174004576 /nfs/dbraw/zinc/00/45/76/1174004576.db2.gz BFFIHFSQFSGRQO-UHFFFAOYSA-N -1 1 296.290 1.149 20 0 CDADMM O=C(NCCCC1CC1)c1csc(-c2nn[n-]n2)c1 ZINC001593066593 1174021134 /nfs/dbraw/zinc/02/11/34/1174021134.db2.gz HVLPZJUEMOEXTB-UHFFFAOYSA-N -1 1 277.353 1.848 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CC[C@H](F)C1 ZINC001593137744 1174024020 /nfs/dbraw/zinc/02/40/20/1174024020.db2.gz RZBQUMPRGBMCFC-ZETCQYMHSA-N -1 1 296.331 1.182 20 0 CDADMM O=C(NOc1ccccc1F)c1ccc(-c2nn[n-]n2)o1 ZINC001593170790 1174029402 /nfs/dbraw/zinc/02/94/02/1174029402.db2.gz QFVDRONAYFSQJA-UHFFFAOYSA-N -1 1 289.226 1.323 20 0 CDADMM O=C(Nc1cc2n(n1)CCCC2)c1ccc(-c2nn[n-]n2)o1 ZINC001593212095 1174034524 /nfs/dbraw/zinc/03/45/24/1174034524.db2.gz GURARKFRBDEKBW-UHFFFAOYSA-N -1 1 299.294 1.245 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC001593243562 1174038050 /nfs/dbraw/zinc/03/80/50/1174038050.db2.gz GUIMXMJCYCWNLL-ATZCPNFKSA-N -1 1 299.338 1.572 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC001593243562 1174038062 /nfs/dbraw/zinc/03/80/62/1174038062.db2.gz GUIMXMJCYCWNLL-ATZCPNFKSA-N -1 1 299.338 1.572 20 0 CDADMM O=C(OC1([C@@H]2CCOC2)CC1)c1ccc(-c2nn[n-]n2)o1 ZINC001593281946 1174048770 /nfs/dbraw/zinc/04/87/70/1174048770.db2.gz OIJVUBICHPGSGM-MRVPVSSYSA-N -1 1 290.279 1.186 20 0 CDADMM O=C(OC1CCSCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593280765 1174048806 /nfs/dbraw/zinc/04/88/06/1174048806.db2.gz MENWAHQSLRTADE-UHFFFAOYSA-N -1 1 291.336 1.314 20 0 CDADMM O=C(OC1CCSCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593280765 1174048811 /nfs/dbraw/zinc/04/88/11/1174048811.db2.gz MENWAHQSLRTADE-UHFFFAOYSA-N -1 1 291.336 1.314 20 0 CDADMM O=C(OC[C@H]1C[C@]12CCOC2)c1coc(-c2nnn[n-]2)c1 ZINC001593284999 1174051080 /nfs/dbraw/zinc/05/10/80/1174051080.db2.gz PUTOFTMZFFHANY-RNCFNFMXSA-N -1 1 290.279 1.043 20 0 CDADMM O=C(OC[C@H]1C[C@]12CCOC2)c1coc(-c2nn[n-]n2)c1 ZINC001593284999 1174051090 /nfs/dbraw/zinc/05/10/90/1174051090.db2.gz PUTOFTMZFFHANY-RNCFNFMXSA-N -1 1 290.279 1.043 20 0 CDADMM O=C(OCc1ccccc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593300698 1174058443 /nfs/dbraw/zinc/05/84/43/1174058443.db2.gz GKERBZDBLQTMGI-UHFFFAOYSA-N -1 1 270.248 1.817 20 0 CDADMM O=C(OCc1ccoc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593302974 1174059334 /nfs/dbraw/zinc/05/93/34/1174059334.db2.gz MLHUUOAGYZNQEZ-UHFFFAOYSA-N -1 1 260.209 1.410 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(C2CC2)CC1 ZINC001593336914 1174066788 /nfs/dbraw/zinc/06/67/88/1174066788.db2.gz IPJAYVVPHQDZOF-UHFFFAOYSA-N -1 1 298.350 1.524 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(C2CC2)CC1 ZINC001593336914 1174066797 /nfs/dbraw/zinc/06/67/97/1174066797.db2.gz IPJAYVVPHQDZOF-UHFFFAOYSA-N -1 1 298.350 1.524 20 0 CDADMM O=C(c1ccsc1-c1nnn[n-]1)N1C[C@@H](F)[C@@H](F)C1 ZINC001593362854 1174070020 /nfs/dbraw/zinc/07/00/20/1174070020.db2.gz ZWYSRTHOHLTBOC-KNVOCYPGSA-N -1 1 285.279 1.060 20 0 CDADMM O=C(c1ccsc1-c1nn[n-]n1)N1C[C@@H](F)[C@@H](F)C1 ZINC001593362854 1174070025 /nfs/dbraw/zinc/07/00/25/1174070025.db2.gz ZWYSRTHOHLTBOC-KNVOCYPGSA-N -1 1 285.279 1.060 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CC[C@H](C2CC2)C1 ZINC001593358891 1174070703 /nfs/dbraw/zinc/07/07/03/1174070703.db2.gz RYZSHIMWNJFVQH-NSHDSACASA-N -1 1 284.323 1.134 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CC[C@H](C2CC2)C1 ZINC001593358891 1174070707 /nfs/dbraw/zinc/07/07/07/1174070707.db2.gz RYZSHIMWNJFVQH-NSHDSACASA-N -1 1 284.323 1.134 20 0 CDADMM O=Cc1ccc(Oc2nnccc2-c2nnn[n-]2)c(F)c1 ZINC001593416141 1174077758 /nfs/dbraw/zinc/07/77/58/1174077758.db2.gz MYIOOONQLJYZJW-UHFFFAOYSA-N -1 1 286.226 1.401 20 0 CDADMM O=Cc1ccc(Oc2nnccc2-c2nn[n-]n2)c(F)c1 ZINC001593416141 1174077771 /nfs/dbraw/zinc/07/77/71/1174077771.db2.gz MYIOOONQLJYZJW-UHFFFAOYSA-N -1 1 286.226 1.401 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC001593549711 1174120964 /nfs/dbraw/zinc/12/09/64/1174120964.db2.gz BUBQFCSXSFQZAY-JQWIXIFHSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC001593549711 1174120968 /nfs/dbraw/zinc/12/09/68/1174120968.db2.gz BUBQFCSXSFQZAY-JQWIXIFHSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(N[C@@H](C2CC2)C2CCC2)cc(-c2nnn[n-]2)n1 ZINC001593558688 1174132679 /nfs/dbraw/zinc/13/26/79/1174132679.db2.gz OUQNOPOAPLJZBQ-CYBMUJFWSA-N -1 1 270.340 1.674 20 0 CDADMM c1cc(N[C@@H](C2CC2)C2CCC2)cc(-c2nn[n-]n2)n1 ZINC001593558688 1174132687 /nfs/dbraw/zinc/13/26/87/1174132687.db2.gz OUQNOPOAPLJZBQ-CYBMUJFWSA-N -1 1 270.340 1.674 20 0 CDADMM c1cc2c(s1)CCCN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001593564837 1174140933 /nfs/dbraw/zinc/14/09/33/1174140933.db2.gz MULRXJCRQUGUOI-UHFFFAOYSA-N -1 1 299.363 1.671 20 0 CDADMM c1cc2c(s1)CCCN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001593564837 1174140935 /nfs/dbraw/zinc/14/09/35/1174140935.db2.gz MULRXJCRQUGUOI-UHFFFAOYSA-N -1 1 299.363 1.671 20 0 CDADMM c1cc2n(c1)CCN(Cc1csc(-c3nn[n-]n3)c1)C2 ZINC001593566399 1174141073 /nfs/dbraw/zinc/14/10/73/1174141073.db2.gz LRWRYHXLBLNGCN-UHFFFAOYSA-N -1 1 286.364 1.746 20 0 CDADMM c1cnc(N2CC[C@H]3CCCC[C@H]3C2)c(-c2nnn[n-]2)n1 ZINC001593583529 1174150713 /nfs/dbraw/zinc/15/07/13/1174150713.db2.gz ICYHJQSCBKZFJW-MNOVXSKESA-N -1 1 285.355 1.673 20 0 CDADMM c1cnc(N2CC[C@H]3CCCC[C@H]3C2)c(-c2nn[n-]n2)n1 ZINC001593583529 1174150718 /nfs/dbraw/zinc/15/07/18/1174150718.db2.gz ICYHJQSCBKZFJW-MNOVXSKESA-N -1 1 285.355 1.673 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@@H]2CCC[C@@H]2C2CC2)n1 ZINC001593582901 1174151120 /nfs/dbraw/zinc/15/11/20/1174151120.db2.gz DWTRPRZRAXYLRF-WDEREUQCSA-N -1 1 285.355 1.895 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@@H]2CCC[C@@H]2C2CC2)n1 ZINC001593582901 1174151125 /nfs/dbraw/zinc/15/11/25/1174151125.db2.gz DWTRPRZRAXYLRF-WDEREUQCSA-N -1 1 285.355 1.895 20 0 CDADMM c1cnc(N2CCC3(CCC3)CC2)c(-c2nnn[n-]2)n1 ZINC001593583558 1174151169 /nfs/dbraw/zinc/15/11/69/1174151169.db2.gz IXHDGYLVHKLUKK-UHFFFAOYSA-N -1 1 271.328 1.427 20 0 CDADMM c1cnc(N2CCC3(CCC3)CC2)c(-c2nn[n-]n2)n1 ZINC001593583558 1174151170 /nfs/dbraw/zinc/15/11/70/1174151170.db2.gz IXHDGYLVHKLUKK-UHFFFAOYSA-N -1 1 271.328 1.427 20 0 CDADMM Cc1cc(C(=O)N2CCNC[C@H]2C(C)C)oc1C(=O)[O-] ZINC001600084273 1174356583 /nfs/dbraw/zinc/35/65/83/1174356583.db2.gz FUFWPYZZWNRHMV-JTQLQIEISA-N -1 1 280.324 1.356 20 0 CDADMM Cc1cc(C(=O)[O-])oc1C(=O)Nc1cccc2[nH]nnc21 ZINC001600133086 1174373646 /nfs/dbraw/zinc/37/36/46/1174373646.db2.gz WHKQJGANAPIDND-UHFFFAOYSA-N -1 1 286.247 1.810 20 0 CDADMM Cc1ccc2[nH]nnc2c1NC(=O)[C@H](C)CC(=O)[O-] ZINC001600490345 1174489068 /nfs/dbraw/zinc/48/90/68/1174489068.db2.gz QAYKSFQIDWDHBT-SSDOTTSWSA-N -1 1 262.269 1.316 20 0 CDADMM Cc1ccccc1[C@@H](C(=O)[O-])N1CCc2ncncc2C1 ZINC001600567146 1174509538 /nfs/dbraw/zinc/50/95/38/1174509538.db2.gz GAEZAFUSLHKBRV-HNNXBMFYSA-N -1 1 283.331 1.969 20 0 CDADMM Cc1cn(C)nc1CN1[C@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001600612540 1174528266 /nfs/dbraw/zinc/52/82/66/1174528266.db2.gz LGIUJAJJLPHGON-SAXRGWBVSA-N -1 1 293.367 1.324 20 0 CDADMM Cc1nc(CN2C[C@@H](C(=O)[O-])Oc3cc(F)ccc32)n[nH]1 ZINC001600671689 1174558337 /nfs/dbraw/zinc/55/83/37/1174558337.db2.gz UYKYKIMGTMBALC-NSHDSACASA-N -1 1 292.270 1.104 20 0 CDADMM Cc1ncoc1CN(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC001600758676 1174598610 /nfs/dbraw/zinc/59/86/10/1174598610.db2.gz UQAVHIYHCSOYCY-NSHDSACASA-N -1 1 268.313 1.439 20 0 CDADMM Cc1noc2ncc(CN3CC(C)(C(=O)[O-])C3)cc12 ZINC001600816087 1174625680 /nfs/dbraw/zinc/62/56/80/1174625680.db2.gz LBRVNPKTCBZUEI-UHFFFAOYSA-N -1 1 261.281 1.438 20 0 CDADMM COc1ccc(CNc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC000103627595 1174684374 /nfs/dbraw/zinc/68/43/74/1174684374.db2.gz SZVZNKGOGSJMDA-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM COc1ccc(CNc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC000103627595 1174684382 /nfs/dbraw/zinc/68/43/82/1174684382.db2.gz SZVZNKGOGSJMDA-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM Cn1cncc1CN[C@@H](C(=O)[O-])c1cccc(O)c1 ZINC001600994310 1174696591 /nfs/dbraw/zinc/69/65/91/1174696591.db2.gz NYOFVIANQXCJFB-GFCCVEGCSA-N -1 1 261.281 1.041 20 0 CDADMM NCc1nccnc1N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001601191915 1174785066 /nfs/dbraw/zinc/78/50/66/1174785066.db2.gz IAVRMCAZGVCVDG-LBPRGKRZSA-N -1 1 284.319 1.124 20 0 CDADMM O=C([O-])c1ccc(NC(=O)CN2CCC[C@@H]2CCO)cc1 ZINC001601313044 1174830489 /nfs/dbraw/zinc/83/04/89/1174830489.db2.gz BORCONFXXKHRSV-CYBMUJFWSA-N -1 1 292.335 1.170 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)Cc3ccncc3)[nH]c21 ZINC001601371337 1174848637 /nfs/dbraw/zinc/84/86/37/1174848637.db2.gz HPZLMRZUMSBSHC-UHFFFAOYSA-N -1 1 296.286 1.837 20 0 CDADMM O=C([O-])[C@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)C1CC1 ZINC001601393267 1174854874 /nfs/dbraw/zinc/85/48/74/1174854874.db2.gz NFJYXERWAOLTHT-LLVKDONJSA-N -1 1 286.291 1.065 20 0 CDADMM O=C([O-])[C@@H](CNC(=O)c1cc(F)cc(F)c1O)CC1CC1 ZINC001601457691 1174875864 /nfs/dbraw/zinc/87/58/64/1174875864.db2.gz BGDWXZGROWNWPA-MRVPVSSYSA-N -1 1 299.273 1.901 20 0 CDADMM O=C([O-])c1ccc(NC(=O)c2cnc3nc[nH]c3c2)cc1O ZINC001601598558 1174909289 /nfs/dbraw/zinc/90/92/89/1174909289.db2.gz KSGHFHLYLNUQMK-UHFFFAOYSA-N -1 1 298.258 1.614 20 0 CDADMM O=C([O-])[C@@H](CF)NCc1cnn(-c2ccc(F)cc2)c1 ZINC001601652062 1174931679 /nfs/dbraw/zinc/93/16/79/1174931679.db2.gz XTTOETXSOJKOLI-GFCCVEGCSA-N -1 1 281.262 1.524 20 0 CDADMM 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1.843 20 0 CDADMM O=C([O-])[C@@H](OC(=O)c1ccc(-c2nnc[nH]2)cc1)C1CC1 ZINC001595273731 949878313 /nfs/dbraw/zinc/87/83/13/949878313.db2.gz SBBUQHVNIGBEPA-NSHDSACASA-N -1 1 287.275 1.492 20 0 CDADMM Nc1cccc(-c2nnn(-c3c([O-])cccc3F)n2)c1 ZINC001249996077 949927246 /nfs/dbraw/zinc/92/72/46/949927246.db2.gz FRVKNJDSHAFLMD-UHFFFAOYSA-N -1 1 271.255 1.756 20 0 CDADMM CCCN1CCN(CCCC(=O)[O-])C(C)(C)C1=O ZINC001589675554 949994941 /nfs/dbraw/zinc/99/49/41/949994941.db2.gz RNYKPOASMFLFEO-UHFFFAOYSA-N -1 1 256.346 1.184 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)COc1cc(F)cc(F)c1 ZINC001362793917 971624443 /nfs/dbraw/zinc/62/44/43/971624443.db2.gz IVRZVPSPGDCDBW-UHFFFAOYSA-N -1 1 283.234 1.719 20 0 CDADMM C[C@@H]1C[C@@H]1c1cc(NC(=O)CCCc2nn[n-]n2)n[nH]1 ZINC001362837375 971656347 /nfs/dbraw/zinc/65/63/47/971656347.db2.gz ACRLXDCGSVSFPQ-SFYZADRCSA-N -1 1 275.316 1.008 20 0 CDADMM CC(C)(C)C[C@@H]1C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573854908 950354386 /nfs/dbraw/zinc/35/43/86/950354386.db2.gz HGCFIPVZZKCESW-DTWKUNHWSA-N -1 1 273.344 1.315 20 0 CDADMM CCN(Cc1nccn1CC(F)(F)F)[C@@H](C)C(=O)[O-] ZINC001589739403 950557958 /nfs/dbraw/zinc/55/79/58/950557958.db2.gz PVSQUACSHJRIJQ-QMMMGPOBSA-N -1 1 279.262 1.740 20 0 CDADMM CCN1[C@H](C)CN(C(=O)c2ccc(C(=O)[O-])cn2)C[C@@H]1C ZINC001589883151 950701449 /nfs/dbraw/zinc/70/14/49/950701449.db2.gz YPJLHTBEEDHMLE-PHIMTYICSA-N -1 1 291.351 1.335 20 0 CDADMM O=C([O-])CCN(Cc1nccs1)C1CCOCC1 ZINC001595055962 951499266 /nfs/dbraw/zinc/49/92/66/951499266.db2.gz NICCOGBRGMZOLU-UHFFFAOYSA-N -1 1 270.354 1.599 20 0 CDADMM O=C([O-])CNC1(c2ncc(Br)cn2)CCC1 ZINC001595102836 951866639 /nfs/dbraw/zinc/86/66/39/951866639.db2.gz VVMLQSSMGIKILK-UHFFFAOYSA-N -1 1 286.129 1.293 20 0 CDADMM O=C([O-])[C@H]1C[C@H](NCc2ncc(Br)s2)C1 ZINC001595201536 952315122 /nfs/dbraw/zinc/31/51/22/952315122.db2.gz NPYUHWBSSYTHLX-IZLXSQMJSA-N -1 1 291.170 1.858 20 0 CDADMM O=C(Nc1ccnc(OCCO)c1)c1ccc([O-])cc1F ZINC001363126957 971908736 /nfs/dbraw/zinc/90/87/36/971908736.db2.gz VDFOODZTOHWRJT-UHFFFAOYSA-N -1 1 292.266 1.550 20 0 CDADMM Cc1nnsc1CNCc1ccsc1C(=O)[O-] ZINC000384133973 971912108 /nfs/dbraw/zinc/91/21/08/971912108.db2.gz LXMXFIKPFAKROF-UHFFFAOYSA-N -1 1 269.351 1.896 20 0 CDADMM O=C(Nc1ncccc1CO)c1cnc(C2CC2)[n-]c1=O ZINC001363507761 953396784 /nfs/dbraw/zinc/39/67/84/953396784.db2.gz KSUFRHAZJFWNGU-UHFFFAOYSA-N -1 1 286.291 1.199 20 0 CDADMM CC(C)(C)OC(=O)c1cc(NC(=O)C2(O)CCCC2)n[nH]1 ZINC001363514458 953402816 /nfs/dbraw/zinc/40/28/16/953402816.db2.gz PQNXIYHJUNPXNQ-UHFFFAOYSA-N -1 1 295.339 1.609 20 0 CDADMM C[C@@](CO)(NC(=O)c1ccc([O-])cn1)c1ccc(O)cc1 ZINC001363583118 953494147 /nfs/dbraw/zinc/49/41/47/953494147.db2.gz GUSKOYBFRGATJU-HNNXBMFYSA-N -1 1 288.303 1.130 20 0 CDADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cn(C)nc1Cl ZINC001589308637 953776177 /nfs/dbraw/zinc/77/61/77/953776177.db2.gz WVSJVHXRNXKLKD-IUCAKERBSA-N -1 1 271.748 1.759 20 0 CDADMM C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589324497 953890241 /nfs/dbraw/zinc/89/02/41/953890241.db2.gz WMZLHMXAOUJZAL-UWVGGRQHSA-N -1 1 277.324 1.591 20 0 CDADMM C[C@@H]1CCCN(C(=O)c2cccc(F)c2O)[C@@H]1C(=O)[O-] ZINC001589330010 953946192 /nfs/dbraw/zinc/94/61/92/953946192.db2.gz TYXSJUFXSMEMKB-KCJUWKMLSA-N -1 1 281.283 1.857 20 0 CDADMM O=C([O-])C1(C(=O)Nc2ccc3[nH]nnc3c2)CC=CC1 ZINC001594870623 954351029 /nfs/dbraw/zinc/35/10/29/954351029.db2.gz SBUPETQSAAJZCO-UHFFFAOYSA-N -1 1 272.264 1.317 20 0 CDADMM CN1CCC[C@H]1C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001593780097 954638367 /nfs/dbraw/zinc/63/83/67/954638367.db2.gz LKBMKIHVHLMLAJ-RYUDHWBXSA-N -1 1 280.299 1.162 20 0 CDADMM Nc1ncc2c(n1)CN(C(=O)c1ccc([O-])cc1F)CC2 ZINC001363267020 972034436 /nfs/dbraw/zinc/03/44/36/972034436.db2.gz PECWZHVIELBUFH-UHFFFAOYSA-N -1 1 288.282 1.102 20 0 CDADMM O=C(COc1ccc(F)cc1Cl)Nc1c[n-][nH]c1=O ZINC001364507396 954706790 /nfs/dbraw/zinc/70/67/90/954706790.db2.gz NQHOQZYALBPWKG-UHFFFAOYSA-N -1 1 285.662 1.925 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1ccc(N2CCOCC2)cc1 ZINC001364512604 954719733 /nfs/dbraw/zinc/71/97/33/954719733.db2.gz QHUVEEBTTKZLPC-UHFFFAOYSA-N -1 1 288.307 1.204 20 0 CDADMM O=C([O-])C1CN(C(=O)c2ccc(CN3CCCC3)o2)C1 ZINC001594948788 954941118 /nfs/dbraw/zinc/94/11/18/954941118.db2.gz MBMREWDSRRYLLM-UHFFFAOYSA-N -1 1 278.308 1.032 20 0 CDADMM COc1nscc1CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000712929521 955069882 /nfs/dbraw/zinc/06/98/82/955069882.db2.gz XGEUULMZXQJEPI-LLVKDONJSA-N -1 1 256.327 1.448 20 0 CDADMM Cc1n[nH]c(C(=O)NC[C@H](C(=O)[O-])C2CCC2)c1C ZINC000716727656 955134220 /nfs/dbraw/zinc/13/42/20/955134220.db2.gz KDCGWNKZRGBBJD-JTQLQIEISA-N -1 1 265.313 1.257 20 0 CDADMM COC(=O)c1occc1CN(C)C[C@H](C)C(=O)[O-] ZINC001593897666 955838961 /nfs/dbraw/zinc/83/89/61/955838961.db2.gz GVXWDNJCCHAJGF-QMMMGPOBSA-N -1 1 255.270 1.219 20 0 CDADMM O=C(NC1(c2nn[n-]n2)CCC1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001303222707 956068531 /nfs/dbraw/zinc/06/85/31/956068531.db2.gz VJIUTUGQDKTHDN-AEJSXWLSSA-N -1 1 261.329 1.131 20 0 CDADMM C[C@@H](CNC(=O)c1ccc([O-])c(F)c1)c1ncon1 ZINC001303988683 956143127 /nfs/dbraw/zinc/14/31/27/956143127.db2.gz WBTZLTUSQWAOIN-ZETCQYMHSA-N -1 1 265.244 1.448 20 0 CDADMM CC(C)N(C)C(=O)[C@@H](C)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC001589137423 956238493 /nfs/dbraw/zinc/23/84/93/956238493.db2.gz ZYYLTAPWXDFTNT-TZMCWYRMSA-N -1 1 292.379 1.527 20 0 CDADMM COC(=O)/C=C\[C@@H](C)NC(=O)c1c([O-])cccc1F ZINC001305797497 956276308 /nfs/dbraw/zinc/27/63/08/956276308.db2.gz IKWCWCMEQDGGDS-NFXKFNAJSA-N -1 1 267.256 1.379 20 0 CDADMM CCCCn1ncc(C(=O)Nc2c[n-][nH]c2=O)c1C ZINC001306847934 956338529 /nfs/dbraw/zinc/33/85/29/956338529.db2.gz FSRKQQXUIXUWSR-UHFFFAOYSA-N -1 1 263.301 1.673 20 0 CDADMM CC(C)(C)N1CCN(C(=O)[C@]2(C(=O)[O-])CC2(C)C)CC1 ZINC001330607135 956511414 /nfs/dbraw/zinc/51/14/14/956511414.db2.gz ZPTGNUIZETYMFL-HNNXBMFYSA-N -1 1 282.384 1.430 20 0 CDADMM CC(C)c1n[nH]c(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC001603114695 972190319 /nfs/dbraw/zinc/19/03/19/972190319.db2.gz BVGGTWINUHOXAZ-SFYZADRCSA-N -1 1 266.301 1.368 20 0 CDADMM CC(C)c1nc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)n[nH]1 ZINC001603114695 972190321 /nfs/dbraw/zinc/19/03/21/972190321.db2.gz BVGGTWINUHOXAZ-SFYZADRCSA-N -1 1 266.301 1.368 20 0 CDADMM COC[C@]1(C(=O)[O-])CCN(Cc2nc(C(C)C)c[nH]2)C1 ZINC001593966425 956548617 /nfs/dbraw/zinc/54/86/17/956548617.db2.gz DQCVHTCQRBXLEE-AWEZNQCLSA-N -1 1 281.356 1.456 20 0 CDADMM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1nnc(C2CCC2)[nH]1 ZINC001589216973 956728940 /nfs/dbraw/zinc/72/89/40/956728940.db2.gz CCBBPOZREYQZFU-CYBMUJFWSA-N -1 1 278.312 1.512 20 0 CDADMM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC001589216973 956728949 /nfs/dbraw/zinc/72/89/49/956728949.db2.gz CCBBPOZREYQZFU-CYBMUJFWSA-N -1 1 278.312 1.512 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2[nH]ncc2F)c2ccccc21 ZINC001594730880 957037130 /nfs/dbraw/zinc/03/71/30/957037130.db2.gz DXDBQMGPZPBBHP-MWLCHTKSSA-N -1 1 289.266 1.592 20 0 CDADMM C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1ccc(C(=O)[O-])cn1 ZINC001589262303 957043176 /nfs/dbraw/zinc/04/31/76/957043176.db2.gz MEERWXAARYXNKO-GMTAPVOTSA-N -1 1 291.351 1.333 20 0 CDADMM C[C@@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)N(C)C ZINC001262156048 957267698 /nfs/dbraw/zinc/26/76/98/957267698.db2.gz DNSBVXWOQIXZQJ-JTQLQIEISA-N -1 1 264.325 1.592 20 0 CDADMM CCN(C(=O)c1cnc(C(C)C)[nH]1)[C@H](C)C(=O)[O-] ZINC001327857315 957350546 /nfs/dbraw/zinc/35/05/46/957350546.db2.gz FIYWEGGTUWDSKG-MRVPVSSYSA-N -1 1 253.302 1.468 20 0 CDADMM O=C([O-])c1ccnc(NCCCCn2ccnc2)c1 ZINC000045110042 957451672 /nfs/dbraw/zinc/45/16/72/957451672.db2.gz BRTCDTUXGHLFFJ-UHFFFAOYSA-N -1 1 260.297 1.869 20 0 CDADMM C[C@H](CN(C)C(=O)CCC1CCC1)NCc1n[nH]c(=O)[n-]1 ZINC001425552420 957564584 /nfs/dbraw/zinc/56/45/84/957564584.db2.gz VUFXTCJBHYLTQV-SNVBAGLBSA-N -1 1 295.387 1.027 20 0 CDADMM CCO[N-]C(=O)CNCc1nc2c(s1)C[C@@H](C)CC2 ZINC001332610154 957637410 /nfs/dbraw/zinc/63/74/10/957637410.db2.gz GWWULSGYGSXCCP-VIFPVBQESA-N -1 1 283.397 1.425 20 0 CDADMM Cc1cc(CCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)n[nH]1 ZINC001594300099 957896578 /nfs/dbraw/zinc/89/65/78/957896578.db2.gz BSRAXGPXYBQLCJ-LBPRGKRZSA-N -1 1 293.367 1.754 20 0 CDADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)CCCC1CC1 ZINC001367387748 957985798 /nfs/dbraw/zinc/98/57/98/957985798.db2.gz ULPJTXNLOPTGKJ-SNVBAGLBSA-N -1 1 295.387 1.027 20 0 CDADMM C[C@@H]1[C@H](C(=O)[O-])CCN1CC(=O)NCc1cccs1 ZINC000092925398 958197726 /nfs/dbraw/zinc/19/77/26/958197726.db2.gz MUVGPBZGVATYBE-MWLCHTKSSA-N -1 1 282.365 1.159 20 0 CDADMM COc1ccc(NC(=O)CN2CC[C@@H](C(=O)[O-])[C@@H]2C)cc1 ZINC000092940006 958207552 /nfs/dbraw/zinc/20/75/52/958207552.db2.gz VEJOYJGWRWYYCF-GXFFZTMASA-N -1 1 292.335 1.429 20 0 CDADMM CC[C@@](C)(NCC(=O)N1c2ccccc2C[C@@H]1C)C(=O)[O-] ZINC000094228414 958272685 /nfs/dbraw/zinc/27/26/85/958272685.db2.gz RDDGLHHUECVZBR-MEDUHNTESA-N -1 1 290.363 1.807 20 0 CDADMM CC[C@](C)(NCC(=O)N1c2ccccc2C[C@H]1C)C(=O)[O-] ZINC000094228415 958272888 /nfs/dbraw/zinc/27/28/88/958272888.db2.gz RDDGLHHUECVZBR-BZNIZROVSA-N -1 1 290.363 1.807 20 0 CDADMM NCc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)o1 ZINC000094570922 958294599 /nfs/dbraw/zinc/29/45/99/958294599.db2.gz XRNCWHCFIFYZOV-JTQLQIEISA-N -1 1 280.324 1.455 20 0 CDADMM C[C@H]1CN(Cc2ccc(C(=O)[O-])cn2)CCCO1 ZINC000094762713 958311185 /nfs/dbraw/zinc/31/11/85/958311185.db2.gz YRGNGMKQILPIOW-JTQLQIEISA-N -1 1 250.298 1.391 20 0 CDADMM CS(=O)(=O)C1CCN(CCC2(C(=O)[O-])CCC2)CC1 ZINC001594163289 958921208 /nfs/dbraw/zinc/92/12/08/958921208.db2.gz BKLJNORFWZRTSQ-UHFFFAOYSA-N -1 1 289.397 1.140 20 0 CDADMM CN(C(=O)C(C)(C)c1cccc(F)c1)c1nn[n-]n1 ZINC001334238861 958967200 /nfs/dbraw/zinc/96/72/00/958967200.db2.gz QOXSZZRIBRJACX-UHFFFAOYSA-N -1 1 263.276 1.279 20 0 CDADMM CC(C)[C@@](O)(CN1CCO[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001573491202 959025194 /nfs/dbraw/zinc/02/51/94/959025194.db2.gz BUQDUNNNDDFHBF-ZBFHGGJFSA-N -1 1 293.363 1.316 20 0 CDADMM Cc1ccccc1NCCc1nc([C@@H](N)CC(=O)[O-])no1 ZINC001594420092 959051365 /nfs/dbraw/zinc/05/13/65/959051365.db2.gz RELCXZVXAQHQDY-JTQLQIEISA-N -1 1 290.323 1.507 20 0 CDADMM CC(C)C[C@@H](NC(=O)c1ccc(CN(C)C)nc1)C(=O)[O-] ZINC001573528916 959156453 /nfs/dbraw/zinc/15/64/53/959156453.db2.gz DIAAWPQDCKHOFQ-CYBMUJFWSA-N -1 1 293.367 1.372 20 0 CDADMM N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCC(=O)[O-] ZINC000161176245 959170685 /nfs/dbraw/zinc/17/06/85/959170685.db2.gz HQSSMQLUTBWGDW-GFCCVEGCSA-N -1 1 289.335 1.019 20 0 CDADMM CCCN(CC(=O)[O-])[C@@H]1CCCN(C(C)C)C1=O ZINC000184931954 959473141 /nfs/dbraw/zinc/47/31/41/959473141.db2.gz IJRJNPFSEKGWJV-LLVKDONJSA-N -1 1 256.346 1.182 20 0 CDADMM Cc1c(Cl)c(CN[C@H](C(=O)[O-])C(C)C)nn1C ZINC001594262400 959707002 /nfs/dbraw/zinc/70/70/02/959707002.db2.gz DXLBUYYYPNLNGU-JTQLQIEISA-N -1 1 259.737 1.581 20 0 CDADMM COC[C@@H](NCc1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC001335466271 959822099 /nfs/dbraw/zinc/82/20/99/959822099.db2.gz QZSJZSQVJQBUIC-SECBINFHSA-N -1 1 279.670 1.807 20 0 CDADMM CC(C)(C)NC(=O)CCNCc1cc(C(=O)[O-])co1 ZINC000228179168 960002524 /nfs/dbraw/zinc/00/25/24/960002524.db2.gz RFGDBKVECLTTEQ-UHFFFAOYSA-N -1 1 268.313 1.372 20 0 CDADMM Cc1nc(CNC(=O)Nc2ccc(C)c(C(=O)[O-])c2)n[nH]1 ZINC000392365840 972477004 /nfs/dbraw/zinc/47/70/04/972477004.db2.gz QZUMDMZUZMCJAO-UHFFFAOYSA-N -1 1 289.295 1.441 20 0 CDADMM COC(=O)c1nc[nH]c1NC(=O)c1cc(C)cc(F)c1 ZINC001433472297 960350027 /nfs/dbraw/zinc/35/00/27/960350027.db2.gz HKLDTZQJLDROBP-UHFFFAOYSA-N -1 1 277.255 1.896 20 0 CDADMM Cc1oc(CN(C)C2CCS(=O)CC2)cc1C(=O)[O-] ZINC001571030256 960480726 /nfs/dbraw/zinc/48/07/26/960480726.db2.gz WXYRQRWVASKHLJ-UHFFFAOYSA-N -1 1 285.365 1.629 20 0 CDADMM Cc1nn(C)c(C)c1CNCc1ccoc1C(=O)[O-] ZINC000235799523 960498676 /nfs/dbraw/zinc/49/86/76/960498676.db2.gz KEGUPLLNFMIQBP-UHFFFAOYSA-N -1 1 263.297 1.618 20 0 CDADMM C[C@@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2cc(C(=O)[O-])n[nH]2)C1 ZINC001573757990 960577857 /nfs/dbraw/zinc/57/78/57/960577857.db2.gz LQIJVYAOWIUPDJ-SVRRBLITSA-N -1 1 289.295 1.136 20 0 CDADMM Cc1ccccc1[C@H](O)CNC(=O)c1ccc([O-])cn1 ZINC001433791694 960623414 /nfs/dbraw/zinc/62/34/14/960623414.db2.gz FMSFYBDVKOTTOL-CQSZACIVSA-N -1 1 272.304 1.559 20 0 CDADMM CCC(CC)(NC(=O)c1cc(C2CC2)n[nH]1)c1nn[n-]n1 ZINC001433962194 960814795 /nfs/dbraw/zinc/81/47/95/960814795.db2.gz BMYKHDQMPPQZPS-UHFFFAOYSA-N -1 1 289.343 1.246 20 0 CDADMM CCC(CC)(NC(=O)[C@@H]1O[C@H](C)C[C@@H]1C)c1nn[n-]n1 ZINC001433966376 960817260 /nfs/dbraw/zinc/81/72/60/960817260.db2.gz IUGZMPUKVGFHKW-IVZWLZJFSA-N -1 1 281.360 1.145 20 0 CDADMM CCC(CC)(NC(=O)Cc1ccc(F)cn1)c1nn[n-]n1 ZINC001433964368 960821119 /nfs/dbraw/zinc/82/11/19/960821119.db2.gz DGSCORQYLUCEPF-UHFFFAOYSA-N -1 1 292.318 1.108 20 0 CDADMM CCc1nc(NC(=O)c2snnc2C(C)C)n[nH]1 ZINC001337185311 961006668 /nfs/dbraw/zinc/00/66/68/961006668.db2.gz GJHCZXFTNBZVMY-UHFFFAOYSA-N -1 1 266.330 1.594 20 0 CDADMM O=C(Nc1cc(CO)cc(CO)c1)c1ccc([O-])cn1 ZINC001434235606 961105310 /nfs/dbraw/zinc/10/53/10/961105310.db2.gz HYGZNTMUSRIBEP-UHFFFAOYSA-N -1 1 274.276 1.024 20 0 CDADMM Cc1cccc([C@@H](NC(=O)CN2CC[C@H](C)C2)C(=O)[O-])c1 ZINC001574390146 961166921 /nfs/dbraw/zinc/16/69/21/961166921.db2.gz ROPXDYDKKYITHG-SWLSCSKDSA-N -1 1 290.363 1.579 20 0 CDADMM CC(C)(C)c1nc(CN(CC(=O)[O-])CC2CC2)n[nH]1 ZINC001588747997 961188392 /nfs/dbraw/zinc/18/83/92/961188392.db2.gz GNARXMZUNCALPY-UHFFFAOYSA-N -1 1 266.345 1.399 20 0 CDADMM CCCc1nc(C)c(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)o1 ZINC001419041657 961294135 /nfs/dbraw/zinc/29/41/35/961294135.db2.gz HKXDNKFWZFIYPO-SECBINFHSA-N -1 1 290.327 1.078 20 0 CDADMM CC[C@@H](C(=O)Nc1c[n-][nH]c1=O)N(C)C(=O)OC(C)(C)C ZINC001434433255 961377353 /nfs/dbraw/zinc/37/73/53/961377353.db2.gz NHXUXWGDLWRPIG-VIFPVBQESA-N -1 1 298.343 1.699 20 0 CDADMM CCOC(=O)c1cc(CN(C)CCCC(=O)[O-])on1 ZINC001573901131 961425577 /nfs/dbraw/zinc/42/55/77/961425577.db2.gz NILZFNGIBSFGJX-UHFFFAOYSA-N -1 1 270.285 1.148 20 0 CDADMM CC[C@@H](C(=O)Nc1ccccc1CC(=O)[O-])N(C)C ZINC001332160423 961489734 /nfs/dbraw/zinc/48/97/34/961489734.db2.gz 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575610846 /nfs/dbraw/zinc/61/08/46/575610846.db2.gz LKSQDXDIWQOQAW-SECBINFHSA-N -1 1 281.323 1.656 20 0 CDADMM C[C@@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736275929 575610847 /nfs/dbraw/zinc/61/08/47/575610847.db2.gz LKSQDXDIWQOQAW-SECBINFHSA-N -1 1 281.323 1.656 20 0 CDADMM CC(C)[C@H](NC(=O)[O-])C(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000736359760 575639943 /nfs/dbraw/zinc/63/99/43/575639943.db2.gz CFVWEIPFIPJGFF-AVGNSLFASA-N -1 1 297.399 1.364 20 0 CDADMM CC[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736398806 575647728 /nfs/dbraw/zinc/64/77/28/575647728.db2.gz DLMSSQGQQYJCAM-LLVKDONJSA-N -1 1 286.339 1.666 20 0 CDADMM CC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736398806 575647730 /nfs/dbraw/zinc/64/77/30/575647730.db2.gz DLMSSQGQQYJCAM-LLVKDONJSA-N -1 1 286.339 1.666 20 0 CDADMM CO[C@@H](CNC(=O)c1c([O-])cccc1F)C(F)(F)F ZINC000772063858 575657320 /nfs/dbraw/zinc/65/73/20/575657320.db2.gz LLELQWJXOHYTQK-QMMMGPOBSA-N -1 1 281.205 1.838 20 0 CDADMM 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292.379 1.876 20 0 CDADMM CC[C@@H]1c2ccccc2CCN1CC(=O)NCCC(=O)[O-] ZINC000736952056 575775896 /nfs/dbraw/zinc/77/58/96/575775896.db2.gz ZYJXDVZWCSQXHM-CQSZACIVSA-N -1 1 290.363 1.587 20 0 CDADMM CON(C)CCNC(=O)c1cc2ccccc2cc1[O-] ZINC000773167444 575788157 /nfs/dbraw/zinc/78/81/57/575788157.db2.gz POFKZMQHOLBKPD-UHFFFAOYSA-N -1 1 274.320 1.768 20 0 CDADMM O=C(c1ccnc(F)c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000773498152 575816294 /nfs/dbraw/zinc/81/62/94/575816294.db2.gz OMMACBYMWZVCNU-UHFFFAOYSA-N -1 1 292.270 1.329 20 0 CDADMM CN(C(=O)COC(=O)c1ccc([O-])cc1F)C1CC1 ZINC000773580846 575827045 /nfs/dbraw/zinc/82/70/45/575827045.db2.gz JOKGJVYEEVXXRC-UHFFFAOYSA-N -1 1 267.256 1.309 20 0 CDADMM Cn1cc(NC(=O)c2ccc3n[n-]c(=S)n3c2)cn1 ZINC000773777369 575838820 /nfs/dbraw/zinc/83/88/20/575838820.db2.gz WVYWYDKHOBMCRB-UHFFFAOYSA-N -1 1 274.309 1.004 20 0 CDADMM CC(=O)C[C@H]1COCCN1C(=O)c1c([O-])cccc1Cl ZINC000773884723 575843015 /nfs/dbraw/zinc/84/30/15/575843015.db2.gz ZDWJJACOTQSEEY-JTQLQIEISA-N -1 1 297.738 1.866 20 0 CDADMM Cc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737394366 575954226 /nfs/dbraw/zinc/95/42/26/575954226.db2.gz RSKQTUMVVJSTHG-UHFFFAOYSA-N -1 1 294.318 1.500 20 0 CDADMM Cc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737394366 575954228 /nfs/dbraw/zinc/95/42/28/575954228.db2.gz RSKQTUMVVJSTHG-UHFFFAOYSA-N -1 1 294.318 1.500 20 0 CDADMM CN(CC(=O)Nc1cc(C(=O)[O-])n(C)c1)CC(C)(C)C ZINC000737395186 575954822 /nfs/dbraw/zinc/95/48/22/575954822.db2.gz QXVRXPQCEPYCAL-UHFFFAOYSA-N -1 1 281.356 1.640 20 0 CDADMM CN(CCN1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC000737440620 575965438 /nfs/dbraw/zinc/96/54/38/575965438.db2.gz FMBOYNMMDQBYNZ-UHFFFAOYSA-N -1 1 263.341 1.418 20 0 CDADMM Cc1nc(CCNc2cccc(-c3nnn[n-]3)n2)cs1 ZINC000737472292 575973206 /nfs/dbraw/zinc/97/32/06/575973206.db2.gz STKLHCCRHLYXGL-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM Cc1nc(CCNc2cccc(-c3nn[n-]n3)n2)cs1 ZINC000737472292 575973208 /nfs/dbraw/zinc/97/32/08/575973208.db2.gz STKLHCCRHLYXGL-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM CN(Cc1cccc(C(=O)[O-])c1)[C@@H]1CCCCNC1=O ZINC000737488015 575974612 /nfs/dbraw/zinc/97/46/12/575974612.db2.gz WVQZOZSJRKASAE-CYBMUJFWSA-N -1 1 276.336 1.485 20 0 CDADMM COC(=O)[C@@H]1CCCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000737586444 575997376 /nfs/dbraw/zinc/99/73/76/575997376.db2.gz YNETVTPLSSABJX-SECBINFHSA-N -1 1 267.281 1.363 20 0 CDADMM CC[C@H](Nc1ccccc1)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765475394 576027529 /nfs/dbraw/zinc/02/75/29/576027529.db2.gz XDAMPFLXIMSHBN-NSHDSACASA-N -1 1 290.323 1.042 20 0 CDADMM Cc1ccc(F)c(C(=O)OCc2nc(=O)n(C)[n-]2)c1F ZINC000765494910 576030738 /nfs/dbraw/zinc/03/07/38/576030738.db2.gz BGDKFXWANYXHDD-UHFFFAOYSA-N -1 1 283.234 1.052 20 0 CDADMM Cc1cc(NC(=O)[C@H]2CCCN2C)ccc1C(=O)[O-] ZINC000738423394 576072253 /nfs/dbraw/zinc/07/22/53/576072253.db2.gz WCPFCYKNALLBKK-GFCCVEGCSA-N -1 1 262.309 1.726 20 0 CDADMM c1ccc2c(c1)C[C@H]2CNc1nccnc1-c1nnn[n-]1 ZINC000738435890 576073913 /nfs/dbraw/zinc/07/39/13/576073913.db2.gz 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/nfs/dbraw/zinc/24/04/65/576240465.db2.gz UDNZDKZQPIPRNM-JTQLQIEISA-N -1 1 296.298 1.492 20 0 CDADMM O=C(NC[C@@H](O)c1ccncc1)c1ccc([O-])c(F)c1 ZINC000768325900 576272244 /nfs/dbraw/zinc/27/22/44/576272244.db2.gz WEDPMVKPTIMTGR-CYBMUJFWSA-N -1 1 276.267 1.390 20 0 CDADMM C[C@H](O)C[C@@H]1COCCN1C(=O)c1c([O-])cccc1Cl ZINC000768550524 576295530 /nfs/dbraw/zinc/29/55/30/576295530.db2.gz FAIDATJNISTNOP-VHSXEESVSA-N -1 1 299.754 1.658 20 0 CDADMM CC(C)[C@@H](C(=O)[N-]OCC(F)F)N1C[C@@H](C)O[C@H](C)C1 ZINC000760146174 576461416 /nfs/dbraw/zinc/46/14/16/576461416.db2.gz FQTXVRRAKNLKDJ-FOGDFJRCSA-N -1 1 294.342 1.433 20 0 CDADMM O=C(NCCC1CC(O)C1)c1c([O-])cccc1Cl ZINC000762715725 576665978 /nfs/dbraw/zinc/66/59/78/576665978.db2.gz AWTARGKMPJQNMZ-UHFFFAOYSA-N -1 1 269.728 1.936 20 0 CDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCCF ZINC000744958424 576706832 /nfs/dbraw/zinc/70/68/32/576706832.db2.gz XTXVXUXSNMNEIO-UHFFFAOYSA-N -1 1 267.260 1.107 20 0 CDADMM CC(C)(C)N1C[C@H](C(=O)[N-]OCc2cccnc2)CC1=O ZINC000747169671 576861348 /nfs/dbraw/zinc/86/13/48/576861348.db2.gz AWHMURWMNPDKTJ-GFCCVEGCSA-N -1 1 291.351 1.276 20 0 CDADMM Cc1nc(C(=O)Nc2ccncc2[O-])nn1-c1ccccc1 ZINC000748313063 576904838 /nfs/dbraw/zinc/90/48/38/576904838.db2.gz VDMNLKTYGWQTCR-UHFFFAOYSA-N -1 1 295.302 1.351 20 0 CDADMM C[C@@H](OC(=O)c1cc(F)cc(Cl)c1[O-])C(=O)N(C)C ZINC000748476782 576914375 /nfs/dbraw/zinc/91/43/75/576914375.db2.gz GYXMHMZFVSHHRI-ZCFIWIBFSA-N -1 1 289.690 1.818 20 0 CDADMM O=C([N-]O[C@H]1CCCCO1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000749617291 576955684 /nfs/dbraw/zinc/95/56/84/576955684.db2.gz CYVWHBHAGJTPHU-STQMWFEESA-N -1 1 296.367 1.209 20 0 CDADMM O=c1cc(CN2CCc3c[nH]nc3C2)c2ccc([O-])cc2o1 ZINC000750721822 577002408 /nfs/dbraw/zinc/00/24/08/577002408.db2.gz NIKLLLAOOWNQBL-UHFFFAOYSA-N -1 1 297.314 1.780 20 0 CDADMM CNC(=O)c1ccc(C=C2SC(=O)[N-]C2=O)cc1 ZINC000750856318 577010789 /nfs/dbraw/zinc/01/07/89/577010789.db2.gz GRLKOGRRALAJPB-TWGQIWQCSA-N -1 1 262.290 1.370 20 0 CDADMM O=C([O-])C[C@H](CNC(=O)c1cccc(F)c1O)C1CC1 ZINC001601894663 1175056631 /nfs/dbraw/zinc/05/66/31/1175056631.db2.gz NHJIXDWLOVIVOR-SECBINFHSA-N -1 1 281.283 1.762 20 0 CDADMM O=C([O-])CC[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1Cl ZINC001602005233 1175107819 /nfs/dbraw/zinc/10/78/19/1175107819.db2.gz XZRSXONJLDOWHS-UHFFFAOYSA-N -1 1 289.690 1.840 20 0 CDADMM C/C(=C\CN1CC[C@@](O)(C(F)(F)F)C1)C(=O)[O-] ZINC000304556176 601421238 /nfs/dbraw/zinc/42/12/38/601421238.db2.gz KRJYWEPHYNTPNO-NOKZVFQSSA-N -1 1 253.220 1.016 20 0 CDADMM O=C([O-])c1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)s1 ZINC001602339392 1175214310 /nfs/dbraw/zinc/21/43/10/1175214310.db2.gz LEBDDMYHNHKPKN-WDEREUQCSA-N -1 1 295.360 1.989 20 0 CDADMM CC1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820595412 599203593 /nfs/dbraw/zinc/20/35/93/599203593.db2.gz ILZFJOLUYBOVPF-UHFFFAOYSA-N -1 1 272.312 1.134 20 0 CDADMM CC1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820595412 599203594 /nfs/dbraw/zinc/20/35/94/599203594.db2.gz ILZFJOLUYBOVPF-UHFFFAOYSA-N -1 1 272.312 1.134 20 0 CDADMM O=C([O-])c1ccc(CNC[C@@H](O)C(F)(F)F)c(F)c1 ZINC001602347123 1175218758 /nfs/dbraw/zinc/21/87/58/1175218758.db2.gz ANOKCEJKHCKWNL-SECBINFHSA-N -1 1 281.205 1.537 20 0 CDADMM CC(C)n1nccc1NC(=O)[C@@H](C)N(C)CCC(=O)[O-] ZINC000817743844 596996265 /nfs/dbraw/zinc/99/62/65/596996265.db2.gz JCKBRCAVARDUAM-SNVBAGLBSA-N -1 1 282.344 1.198 20 0 CDADMM CC(C)S(=O)(=O)CCCN1CCC[C@H](CC(=O)[O-])C1 ZINC000696720530 597069882 /nfs/dbraw/zinc/06/98/82/597069882.db2.gz BPBSFKRRBUYDNN-GFCCVEGCSA-N -1 1 291.413 1.386 20 0 CDADMM CC(C)[C@H](NCC(=O)NCC(=O)[O-])c1ccccc1Cl ZINC000819962075 597808151 /nfs/dbraw/zinc/80/81/51/597808151.db2.gz JJGBECNGLYUJAC-AWEZNQCLSA-N -1 1 298.770 1.828 20 0 CDADMM CCCCOCCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000825290752 608387990 /nfs/dbraw/zinc/38/79/90/608387990.db2.gz HEJNLNXVZVQVME-UHFFFAOYSA-N -1 1 277.332 1.275 20 0 CDADMM CCCCOCCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000825290752 608387992 /nfs/dbraw/zinc/38/79/92/608387992.db2.gz HEJNLNXVZVQVME-UHFFFAOYSA-N -1 1 277.332 1.275 20 0 CDADMM O=C([O-])[C@@H]1CN(C[C@@H]2CCOc3ccccc32)CCO1 ZINC000162035243 598122219 /nfs/dbraw/zinc/12/22/19/598122219.db2.gz DWXLHWHUVNNXHO-FZMZJTMJSA-N -1 1 277.320 1.338 20 0 CDADMM CN(C)C(=O)c1ccc(CN2CCC[C@H](CC(=O)[O-])C2)[nH]1 ZINC000820535249 598151326 /nfs/dbraw/zinc/15/13/26/598151326.db2.gz KOLXOSMGSYQKJR-LLVKDONJSA-N -1 1 293.367 1.403 20 0 CDADMM c1cnc(N2CCCCCCC2)c(-c2nnn[n-]2)n1 ZINC000095183794 598335487 /nfs/dbraw/zinc/33/54/87/598335487.db2.gz HDSGQJNURGPNFS-UHFFFAOYSA-N -1 1 259.317 1.427 20 0 CDADMM c1cnc(N2CCCCCCC2)c(-c2nn[n-]n2)n1 ZINC000095183794 598335490 /nfs/dbraw/zinc/33/54/90/598335490.db2.gz HDSGQJNURGPNFS-UHFFFAOYSA-N -1 1 259.317 1.427 20 0 CDADMM c1ccc2c(c1)CN(c1nccnc1-c1nnn[n-]1)C2 ZINC000095169611 598362698 /nfs/dbraw/zinc/36/26/98/598362698.db2.gz MAJSGTAQFYFAPC-UHFFFAOYSA-N -1 1 265.280 1.177 20 0 CDADMM c1ccc2c(c1)CN(c1nccnc1-c1nn[n-]n1)C2 ZINC000095169611 598362699 /nfs/dbraw/zinc/36/26/99/598362699.db2.gz MAJSGTAQFYFAPC-UHFFFAOYSA-N -1 1 265.280 1.177 20 0 CDADMM CC[C@@]1(C)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825165019 608425707 /nfs/dbraw/zinc/42/57/07/608425707.db2.gz PZNMSNCNTCAOFC-ZDUSSCGKSA-N -1 1 273.344 1.673 20 0 CDADMM CC[C@@]1(C)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000825165019 608425710 /nfs/dbraw/zinc/42/57/10/608425710.db2.gz PZNMSNCNTCAOFC-ZDUSSCGKSA-N -1 1 273.344 1.673 20 0 CDADMM CS[C@@H]1CCCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000821956670 607385951 /nfs/dbraw/zinc/38/59/51/607385951.db2.gz UXCKFNMCMVEQRA-SNVBAGLBSA-N -1 1 290.396 1.984 20 0 CDADMM CS[C@@H]1CCCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000821956670 607385952 /nfs/dbraw/zinc/38/59/52/607385952.db2.gz UXCKFNMCMVEQRA-SNVBAGLBSA-N -1 1 290.396 1.984 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NCC(C1CC1)C1CC1 ZINC000826514975 608427465 /nfs/dbraw/zinc/42/74/65/608427465.db2.gz JAHHFFRTAFQLKY-UHFFFAOYSA-N -1 1 271.328 1.505 20 0 CDADMM CO[C@@]1(C)C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1(C)C ZINC000821677992 599687347 /nfs/dbraw/zinc/68/73/47/599687347.db2.gz HWXIPNZEQFXCFI-YGRLFVJLSA-N -1 1 288.355 1.877 20 0 CDADMM CO[C@@]1(C)C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1(C)C ZINC000821677992 599687348 /nfs/dbraw/zinc/68/73/48/599687348.db2.gz HWXIPNZEQFXCFI-YGRLFVJLSA-N -1 1 288.355 1.877 20 0 CDADMM O=C([O-])c1cncc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])c1 ZINC001602538115 1175280246 /nfs/dbraw/zinc/28/02/46/1175280246.db2.gz MUJSYSYSKOWVSI-LLVKDONJSA-N -1 1 264.281 1.219 20 0 CDADMM Cc1cc(NS(=O)(=O)c2c(C)noc2C)c(C(=O)[O-])[nH]1 ZINC000163453175 600175896 /nfs/dbraw/zinc/17/58/96/600175896.db2.gz GLHQXUQNODGMLH-UHFFFAOYSA-N -1 1 299.308 1.427 20 0 CDADMM O=C([O-])c1ccc(CN2CCN(C3CCC3)CC2)o1 ZINC000381080559 600223565 /nfs/dbraw/zinc/22/35/65/600223565.db2.gz ATFBOZXMRDUKPV-UHFFFAOYSA-N -1 1 264.325 1.648 20 0 CDADMM O=C1OCC[C@@H]1CCOc1cccc(F)c1-c1nn[n-]n1 ZINC000826483184 607866498 /nfs/dbraw/zinc/86/64/98/607866498.db2.gz DNMIWVWDFDNNEM-QMMMGPOBSA-N -1 1 292.270 1.338 20 0 CDADMM CCn1ccnc1CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405349292 600302203 /nfs/dbraw/zinc/30/22/03/600302203.db2.gz YHJNIWBKSHMINU-LLVKDONJSA-N -1 1 263.341 1.590 20 0 CDADMM CCC[C@H]1CC(=O)N(CN(CC)CCC(=O)[O-])C1 ZINC000829255103 600713310 /nfs/dbraw/zinc/71/33/10/600713310.db2.gz FFXDGCHIGIRUFH-NSHDSACASA-N -1 1 256.346 1.389 20 0 CDADMM CCC[C@H]1[C@@H](C)CCCN1Cn1cc(C(=O)[O-])nn1 ZINC000829254701 600713689 /nfs/dbraw/zinc/71/36/89/600713689.db2.gz DJAWSKVUAHUXMK-JQWIXIFHSA-N -1 1 266.345 1.834 20 0 CDADMM C/C(=C/CSc1nc(-c2cccnc2)n[nH]1)C(=O)[O-] ZINC000825793206 600728510 /nfs/dbraw/zinc/72/85/10/600728510.db2.gz OTTFRRAARVAVBF-YWEYNIOJSA-N -1 1 276.321 1.990 20 0 CDADMM CCc1cnc(CN(C[C@@H](C)C(=O)[O-])C2CC2)o1 ZINC000830290500 600823493 /nfs/dbraw/zinc/82/34/93/600823493.db2.gz RPLWLDOXRDFHQL-SECBINFHSA-N -1 1 252.314 1.922 20 0 CDADMM CN(C(=O)c1ccc(C(=O)[O-])s1)[C@H]1CCCN(C)C1 ZINC000053250317 600928712 /nfs/dbraw/zinc/92/87/12/600928712.db2.gz FHFASZDJBDEWOO-VIFPVBQESA-N -1 1 282.365 1.613 20 0 CDADMM CC[C@](C)(NCCC(=O)N(C)CC(=O)[O-])c1nccs1 ZINC000828692986 601015501 /nfs/dbraw/zinc/01/55/01/601015501.db2.gz PITQCJRPXMCDSY-ZDUSSCGKSA-N -1 1 299.396 1.291 20 0 CDADMM Cc1cccc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)n1 ZINC000832963855 601098927 /nfs/dbraw/zinc/09/89/27/601098927.db2.gz SIOQTGCXCDZMIA-GFCCVEGCSA-N -1 1 291.351 1.011 20 0 CDADMM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)N(C)C ZINC000832803759 601136524 /nfs/dbraw/zinc/13/65/24/601136524.db2.gz TXRZKHXAPAFYAR-CABZTGNLSA-N -1 1 282.315 1.408 20 0 CDADMM C[C@](NCC(=O)NCCC1CCCCC1)(C(=O)[O-])C1CC1 ZINC000827729283 601176886 /nfs/dbraw/zinc/17/68/86/601176886.db2.gz ZFXPFAZPROUPAD-MRXNPFEDSA-N -1 1 296.411 1.916 20 0 CDADMM CN(CC(=O)[O-])C(=O)CCN1CC[C@H]1c1cccc(F)c1 ZINC000830691794 601182977 /nfs/dbraw/zinc/18/29/77/601182977.db2.gz CYSCPGKETYFWQY-ZDUSSCGKSA-N -1 1 294.326 1.506 20 0 CDADMM CC(C)N(CCC(=O)[O-])CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000826947140 601397939 /nfs/dbraw/zinc/39/79/39/601397939.db2.gz RASYRULOJFNWAX-CHWSQXEVSA-N -1 1 282.384 1.920 20 0 CDADMM O=C([O-])Nc1ccc(NC(=O)NCc2c[nH]nn2)cc1 ZINC000833289790 601405667 /nfs/dbraw/zinc/40/56/67/601405667.db2.gz LAUFVDQRVCKIPW-UHFFFAOYSA-N -1 1 276.256 1.216 20 0 CDADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCN(CCCCO)CC1 ZINC000827929265 601422499 /nfs/dbraw/zinc/42/24/99/601422499.db2.gz XYFJJUZCYDILCC-LBPRGKRZSA-N -1 1 296.367 1.429 20 0 CDADMM CCNC(=O)CN1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000829790654 601433703 /nfs/dbraw/zinc/43/37/03/601433703.db2.gz ZPGDTPPHOZHHJL-OLZOCXBDSA-N -1 1 282.384 1.478 20 0 CDADMM Cc1ccc(OCCN2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000832952543 601444168 /nfs/dbraw/zinc/44/41/68/601444168.db2.gz QGVFLRKDMRMPLP-CQSZACIVSA-N -1 1 267.300 1.872 20 0 CDADMM COC[C@](C)(CC(=O)[O-])NCc1cc(C(=O)OC)co1 ZINC000831577262 601488573 /nfs/dbraw/zinc/48/85/73/601488573.db2.gz DFFMZXWXMFDCBM-ZDUSSCGKSA-N -1 1 285.296 1.036 20 0 CDADMM Cc1ccc(C)c(NC(=O)CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000111254379 601506146 /nfs/dbraw/zinc/50/61/46/601506146.db2.gz VCQKDFXDTPXRJQ-CHWSQXEVSA-N -1 1 290.363 1.894 20 0 CDADMM C[C@@H]1CN(CC(=O)Nc2cccc(Cl)c2)C[C@H]1C(=O)[O-] ZINC000235347678 601520595 /nfs/dbraw/zinc/52/05/95/601520595.db2.gz ZXNRECLWHYSFCT-BXKDBHETSA-N -1 1 296.754 1.931 20 0 CDADMM C[C@H]1CN(CC(=O)NCc2cccs2)C[C@@H]1C(=O)[O-] ZINC000111255367 601526657 /nfs/dbraw/zinc/52/66/57/601526657.db2.gz DNIUDEGGXJNQQF-ONGXEEELSA-N -1 1 282.365 1.017 20 0 CDADMM CCc1noc([C@H](C)N2C[C@H](C(=O)[O-])[C@H](C)C2)n1 ZINC000830339044 601529789 /nfs/dbraw/zinc/52/97/89/601529789.db2.gz JTWBJKLQABLYHV-VGMNWLOBSA-N -1 1 253.302 1.346 20 0 CDADMM CC(C)n1ccc(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000227105321 601542436 /nfs/dbraw/zinc/54/24/36/601542436.db2.gz IEEQJPCWPJIHDB-ZYHUDNBSSA-N -1 1 251.330 1.617 20 0 CDADMM CN(C)Cc1ccsc1C(=O)NCCCC(=O)[O-] ZINC000818385378 601545764 /nfs/dbraw/zinc/54/57/64/601545764.db2.gz HJGGOZJPPFMEGT-UHFFFAOYSA-N -1 1 270.354 1.404 20 0 CDADMM Cn1c(CCN2CC[C@](F)(C(=O)[O-])C2)nc2ccccc21 ZINC000833038339 601553049 /nfs/dbraw/zinc/55/30/49/601553049.db2.gz CDQAGMUWJWTVQR-OAHLLOKOSA-N -1 1 291.326 1.614 20 0 CDADMM Cc1cc(CC(=O)Nc2ccc(CC(=O)[O-])cc2)n[nH]1 ZINC000832882852 601645663 /nfs/dbraw/zinc/64/56/63/601645663.db2.gz DNGRXUYYQHOILM-UHFFFAOYSA-N -1 1 273.292 1.526 20 0 CDADMM O=C([O-])C1(CNC(=O)c2[nH]nc3c2CCC3)CCCC1 ZINC000833137087 601649892 /nfs/dbraw/zinc/64/98/92/601649892.db2.gz LJJNJZJXDQITGR-UHFFFAOYSA-N -1 1 277.324 1.273 20 0 CDADMM CCCCN(CCO)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000829389947 601681547 /nfs/dbraw/zinc/68/15/47/601681547.db2.gz ZZRSNMFWABTCHR-UHFFFAOYSA-N -1 1 294.351 1.418 20 0 CDADMM Fc1cccc2c1N(Cc1ccnc(-c3nnn[n-]3)c1)CC2 ZINC000826377907 607524542 /nfs/dbraw/zinc/52/45/42/607524542.db2.gz LPXSHLMFZJHDCB-UHFFFAOYSA-N -1 1 296.309 1.964 20 0 CDADMM Fc1cccc2c1N(Cc1ccnc(-c3nn[n-]n3)c1)CC2 ZINC000826377907 607524544 /nfs/dbraw/zinc/52/45/44/607524544.db2.gz LPXSHLMFZJHDCB-UHFFFAOYSA-N -1 1 296.309 1.964 20 0 CDADMM Cc1n[nH]c(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c1C ZINC000832847186 601746865 /nfs/dbraw/zinc/74/68/65/601746865.db2.gz CEWHQELDVPZIRT-GFCCVEGCSA-N -1 1 291.282 1.721 20 0 CDADMM C[C@@H](C(=O)N1CCC(CCC(=O)[O-])CC1)N(C)C ZINC000832798430 601819475 /nfs/dbraw/zinc/81/94/75/601819475.db2.gz JPNSIJFDJBEWII-JTQLQIEISA-N -1 1 256.346 1.040 20 0 CDADMM CC(C)N(C)C(=O)[C@H](C)N1CCSC[C@@H]1CC(=O)[O-] ZINC000826924335 601926713 /nfs/dbraw/zinc/92/67/13/601926713.db2.gz CKMCSJDRKJSNFN-QWRGUYRKSA-N -1 1 288.413 1.134 20 0 CDADMM CC(C)n1ccnc1CN1CC[C@](C)(C(=O)[O-])C1 ZINC000710326079 601927523 /nfs/dbraw/zinc/92/75/23/601927523.db2.gz NJJZSDKRQLIFJN-ZDUSSCGKSA-N -1 1 251.330 1.761 20 0 CDADMM Cn1cccc1C(=O)CN1CC[C@](C)(C(=O)[O-])C1 ZINC000833056370 601930728 /nfs/dbraw/zinc/93/07/28/601930728.db2.gz PHQMWEXDANDCFC-ZDUSSCGKSA-N -1 1 250.298 1.004 20 0 CDADMM CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)NCC(=O)[O-] ZINC000819966769 602029465 /nfs/dbraw/zinc/02/94/65/602029465.db2.gz DEBRSLGPRCAKSW-MRXNPFEDSA-N -1 1 290.363 1.443 20 0 CDADMM CC(C)[C@@H]1c2ccccc2CCN1CC(=O)NCC(=O)[O-] ZINC000819966769 602029468 /nfs/dbraw/zinc/02/94/68/602029468.db2.gz DEBRSLGPRCAKSW-MRXNPFEDSA-N -1 1 290.363 1.443 20 0 CDADMM O=C([O-])[C@H](OC(=O)CCc1nc[nH]n1)c1ccccc1F ZINC000833105115 602089601 /nfs/dbraw/zinc/08/96/01/602089601.db2.gz YRXDUMGRVCJXOR-GFCCVEGCSA-N -1 1 293.254 1.246 20 0 CDADMM C[C@@H]1CCCC[C@H]1NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C ZINC000828252137 602224327 /nfs/dbraw/zinc/22/43/27/602224327.db2.gz PUTKDSHRZPYOJI-NQBHXWOUSA-N -1 1 284.400 1.770 20 0 CDADMM Cc1ccc(CNC(=O)CN[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000832931760 602226764 /nfs/dbraw/zinc/22/67/64/602226764.db2.gz NMLNYLDRXWKVOE-CQSZACIVSA-N -1 1 292.379 1.700 20 0 CDADMM CC[C@H](C(=O)Nc1cccc(CC(=O)[O-])c1)N(C)C ZINC000818132087 604318853 /nfs/dbraw/zinc/31/88/53/604318853.db2.gz ABGZLCKJQUEBEW-GFCCVEGCSA-N -1 1 264.325 1.592 20 0 CDADMM C[C@@H]1CN(C(=O)c2cccc(C(=O)[O-])c2)[C@@H](C)CN1C ZINC000820245179 604577627 /nfs/dbraw/zinc/57/76/27/604577627.db2.gz KZNHOXCGJRABAJ-MNOVXSKESA-N -1 1 276.336 1.549 20 0 CDADMM O=C([O-])c1ccc(C(=O)N[C@H]2CCc3nc[nH]c3C2)s1 ZINC000833311176 604710644 /nfs/dbraw/zinc/71/06/44/604710644.db2.gz XKVNHVJSBRLHKF-ZETCQYMHSA-N -1 1 291.332 1.457 20 0 CDADMM O=C([O-])[C@H](O)C1CCN(Cc2cccc3c2OCO3)CC1 ZINC000833770286 604761854 /nfs/dbraw/zinc/76/18/54/604761854.db2.gz CEKAECXMSXSLMT-CYBMUJFWSA-N -1 1 293.319 1.073 20 0 CDADMM CCNC(=O)CN(CCCC(=O)[O-])Cc1ccccc1 ZINC000829790107 604783202 /nfs/dbraw/zinc/78/32/02/604783202.db2.gz HQNDUZSUIQQGBG-UHFFFAOYSA-N -1 1 278.352 1.490 20 0 CDADMM C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cccc(C(=O)[O-])c1O ZINC000833602343 604798776 /nfs/dbraw/zinc/79/87/76/604798776.db2.gz HMIPWKGJHCWUKC-NXEZZACHSA-N -1 1 292.335 1.902 20 0 CDADMM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccccc2F)CCN1C ZINC000833624376 604934569 /nfs/dbraw/zinc/93/45/69/604934569.db2.gz QLAZRPYPOBTHPC-ZWNOBZJWSA-N -1 1 266.316 1.587 20 0 CDADMM CCc1oc(C(=O)[O-])cc1CN1CCN(C)[C@H](C)C1 ZINC000833678895 604934695 /nfs/dbraw/zinc/93/46/95/604934695.db2.gz RCLQIHNCLFMLJV-SNVBAGLBSA-N -1 1 266.341 1.676 20 0 CDADMM Cc1ccc(S(=O)(=O)Nc2cn[nH]c2)cc1C(=O)[O-] ZINC000035764166 604946387 /nfs/dbraw/zinc/94/63/87/604946387.db2.gz RUJATWXUARAYGC-UHFFFAOYSA-N -1 1 281.293 1.217 20 0 CDADMM COc1ccccc1NC(=O)CN1CCC[C@@H]1CC(=O)[O-] ZINC000042163716 604964160 /nfs/dbraw/zinc/96/41/60/604964160.db2.gz JQPHDQFSZUUSMS-LLVKDONJSA-N -1 1 292.335 1.573 20 0 CDADMM CCN(CC)CC(=O)Nc1cncc(C(=O)[O-])c1 ZINC000829671769 604970272 /nfs/dbraw/zinc/97/02/72/604970272.db2.gz MMMSVCDGDCEMCW-UHFFFAOYSA-N -1 1 251.286 1.060 20 0 CDADMM COCc1cccc(CN2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC000833726037 604975798 /nfs/dbraw/zinc/97/57/98/604975798.db2.gz OMXNCYUMEJVOHF-AWEZNQCLSA-N -1 1 267.300 1.832 20 0 CDADMM O=C([O-])[C@@H](O)C1CCN(CCOc2ccccc2F)CC1 ZINC000833770794 604975841 /nfs/dbraw/zinc/97/58/41/604975841.db2.gz NTZBZBTXLGOSLW-AWEZNQCLSA-N -1 1 297.326 1.362 20 0 CDADMM Cc1ncc2c(n1)CCC[C@H]2N[C@H](C(=O)[O-])c1cccnc1 ZINC000833009073 605002405 /nfs/dbraw/zinc/00/24/05/605002405.db2.gz AGBRASVQEJDQJY-CABCVRRESA-N -1 1 298.346 1.973 20 0 CDADMM CCC[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1)N(C)C ZINC000833647324 605036180 /nfs/dbraw/zinc/03/61/80/605036180.db2.gz BVOPJLMIOOZKBG-ZDUSSCGKSA-N -1 1 294.351 1.819 20 0 CDADMM CCC1(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)COC1 ZINC000833647186 605059417 /nfs/dbraw/zinc/05/94/17/605059417.db2.gz ZOVSZRHYPUHFDB-UHFFFAOYSA-N -1 1 289.291 1.626 20 0 CDADMM C[C@H]1CC[C@@]2(CCN(Cn3cnc(C(=O)[O-])n3)C2)C1 ZINC000833609312 605060774 /nfs/dbraw/zinc/06/07/74/605060774.db2.gz DXDILICFPSBFTP-GXFFZTMASA-N -1 1 264.329 1.446 20 0 CDADMM C[C@@H]1CC[C@@]2(CCN(Cn3cc(C(=O)[O-])nn3)C2)C1 ZINC000833613588 605061277 /nfs/dbraw/zinc/06/12/77/605061277.db2.gz YRICMFNPFNFRBP-ZWNOBZJWSA-N -1 1 264.329 1.446 20 0 CDADMM CC(C)CCC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833484638 605104390 /nfs/dbraw/zinc/10/43/90/605104390.db2.gz YQYZXMNIUBWQSA-GFCCVEGCSA-N -1 1 270.373 1.430 20 0 CDADMM CC(=O)N(C)C1CCN(Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC000833387816 605105749 /nfs/dbraw/zinc/10/57/49/605105749.db2.gz AQGLQPXLYOTAFK-UHFFFAOYSA-N -1 1 279.340 1.156 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CC12CCCC2 ZINC000833626231 605112757 /nfs/dbraw/zinc/11/27/57/605112757.db2.gz YYUVXQADBJQARQ-CHWSQXEVSA-N -1 1 294.395 1.574 20 0 CDADMM CC(C)N(CCCC(=O)[O-])CC(=O)OC(C)(C)C ZINC000833498706 605147792 /nfs/dbraw/zinc/14/77/92/605147792.db2.gz VLNGUKWIYGNLFE-UHFFFAOYSA-N -1 1 259.346 1.903 20 0 CDADMM C[C@@H](C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)C(C)(C)C ZINC000833621722 605158044 /nfs/dbraw/zinc/15/80/44/605158044.db2.gz NJYMEXUXIMXMSW-RYUDHWBXSA-N -1 1 284.400 1.676 20 0 CDADMM CCN1C[C@H](C)N(C(=O)[C@@H](NC(=O)[O-])C(C)C)C[C@@H]1C ZINC000833655599 605173478 /nfs/dbraw/zinc/17/34/78/605173478.db2.gz FCRBXJFKNKWEDF-SRVKXCTJSA-N -1 1 285.388 1.220 20 0 CDADMM C[C@@H]1CC[C@@]2(CCN(CN3C[C@@H](C(=O)[O-])CC3=O)C2)C1 ZINC000833609937 605178211 /nfs/dbraw/zinc/17/82/11/605178211.db2.gz HRYGVUHSJZPXOZ-TYNCELHUSA-N -1 1 280.368 1.389 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CN2CC[C@H](C)[C@@H](F)C2)O1 ZINC000833584822 605391148 /nfs/dbraw/zinc/39/11/48/605391148.db2.gz RMAKRSXLWKGLAJ-XRNSZHNASA-N -1 1 257.305 1.814 20 0 CDADMM COC[C@](C)(CC(=O)[O-])NCc1c(F)cccc1F ZINC000833722306 605678254 /nfs/dbraw/zinc/67/82/54/605678254.db2.gz QPBMSWYMLMVYSK-ZDUSSCGKSA-N -1 1 273.279 1.934 20 0 CDADMM CC(C)N(CCC(=O)[O-])C(=O)c1cccc2nn[nH]c21 ZINC000833496549 605778687 /nfs/dbraw/zinc/77/86/87/605778687.db2.gz BERHRXXIEPRRNC-UHFFFAOYSA-N -1 1 276.296 1.283 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccnc1 ZINC000823294649 606195448 /nfs/dbraw/zinc/19/54/48/606195448.db2.gz LUNXMQRUXLGINN-UHFFFAOYSA-N -1 1 282.263 1.220 20 0 CDADMM C[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccco1 ZINC000819866465 606292241 /nfs/dbraw/zinc/29/22/41/606292241.db2.gz MZSAXMWPUZTRHO-QMMMGPOBSA-N -1 1 299.290 1.908 20 0 CDADMM C[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])C1CC1 ZINC000819867424 606297041 /nfs/dbraw/zinc/29/70/41/606297041.db2.gz RULWUOZOWUCSLA-ZETCQYMHSA-N -1 1 273.296 1.557 20 0 CDADMM C[C@@H]1C[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820665739 606525663 /nfs/dbraw/zinc/52/56/63/606525663.db2.gz GMWGVROSXUSVBL-RNFRBKRXSA-N -1 1 263.326 1.314 20 0 CDADMM C[C@@H]1C[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820665739 606525664 /nfs/dbraw/zinc/52/56/64/606525664.db2.gz GMWGVROSXUSVBL-RNFRBKRXSA-N -1 1 263.326 1.314 20 0 CDADMM CC[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820981334 606547337 /nfs/dbraw/zinc/54/73/37/606547337.db2.gz REUPVYCZEDWQHQ-MRVPVSSYSA-N -1 1 277.353 1.943 20 0 CDADMM CC[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820981334 606547339 /nfs/dbraw/zinc/54/73/39/606547339.db2.gz REUPVYCZEDWQHQ-MRVPVSSYSA-N -1 1 277.353 1.943 20 0 CDADMM C[C@@H]1C[C@H](C)CN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820650193 606569186 /nfs/dbraw/zinc/56/91/86/606569186.db2.gz RLBKMTRABIMUCZ-JGVFFNPUSA-N -1 1 277.353 1.799 20 0 CDADMM C[C@@H]1C[C@H](C)CN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820650193 606569187 /nfs/dbraw/zinc/56/91/87/606569187.db2.gz RLBKMTRABIMUCZ-JGVFFNPUSA-N -1 1 277.353 1.799 20 0 CDADMM C(=C/c1ccccc1)\Cn1ccnc1-c1nnn[n-]1 ZINC000819710165 606654775 /nfs/dbraw/zinc/65/47/75/606654775.db2.gz YCWNHOUGQUZYGR-QPJJXVBHSA-N -1 1 252.281 1.777 20 0 CDADMM C(=C/c1ccccc1)\Cn1ccnc1-c1nn[n-]n1 ZINC000819710165 606654776 /nfs/dbraw/zinc/65/47/76/606654776.db2.gz YCWNHOUGQUZYGR-QPJJXVBHSA-N -1 1 252.281 1.777 20 0 CDADMM CC(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000820045568 606725825 /nfs/dbraw/zinc/72/58/25/606725825.db2.gz NQXNUSJPTJKHIM-SECBINFHSA-N -1 1 259.317 1.139 20 0 CDADMM CC(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000820045568 606725826 /nfs/dbraw/zinc/72/58/26/606725826.db2.gz NQXNUSJPTJKHIM-SECBINFHSA-N -1 1 259.317 1.139 20 0 CDADMM CC[C@@H](C)CSc1nccnc1-c1nn[n-]n1 ZINC000820869229 606799079 /nfs/dbraw/zinc/79/90/79/606799079.db2.gz FFRMXNSQTSGNBG-SSDOTTSWSA-N -1 1 250.331 1.795 20 0 CDADMM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)C(=O)OC(C)(C)C ZINC000820432284 606918640 /nfs/dbraw/zinc/91/86/40/606918640.db2.gz NPAGTIOWHXNZGE-MRVPVSSYSA-N -1 1 293.327 1.280 20 0 CDADMM C[C@@H](NCc1ccc(-c2nn[n-]n2)o1)C(=O)OC(C)(C)C ZINC000820432284 606918641 /nfs/dbraw/zinc/91/86/41/606918641.db2.gz NPAGTIOWHXNZGE-MRVPVSSYSA-N -1 1 293.327 1.280 20 0 CDADMM O=C(Nc1ccc(F)nc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823346133 607100856 /nfs/dbraw/zinc/10/08/56/607100856.db2.gz JOPZOHGAWDGEJC-UHFFFAOYSA-N -1 1 290.283 1.715 20 0 CDADMM O=C(Nc1ccc(F)nc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823346133 607100858 /nfs/dbraw/zinc/10/08/58/607100858.db2.gz JOPZOHGAWDGEJC-UHFFFAOYSA-N -1 1 290.283 1.715 20 0 CDADMM Cc1cc(COc2cccc(F)c2-c2nnn[n-]2)no1 ZINC000826267584 607865302 /nfs/dbraw/zinc/86/53/02/607865302.db2.gz LXALQHLKDXIPGY-UHFFFAOYSA-N -1 1 275.243 1.881 20 0 CDADMM Cc1cc(COc2cccc(F)c2-c2nn[n-]n2)no1 ZINC000826267584 607865303 /nfs/dbraw/zinc/86/53/03/607865303.db2.gz LXALQHLKDXIPGY-UHFFFAOYSA-N -1 1 275.243 1.881 20 0 CDADMM O=C1OCC[C@@H]1CCOc1cccc(F)c1-c1nnn[n-]1 ZINC000826483184 607866497 /nfs/dbraw/zinc/86/64/97/607866497.db2.gz DNMIWVWDFDNNEM-QMMMGPOBSA-N -1 1 292.270 1.338 20 0 CDADMM OCc1cccc(CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000095144093 607898525 /nfs/dbraw/zinc/89/85/25/607898525.db2.gz VXMVVOKWKJMQLG-UHFFFAOYSA-N -1 1 282.307 1.366 20 0 CDADMM OCc1cccc(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000095144093 607898526 /nfs/dbraw/zinc/89/85/26/607898526.db2.gz VXMVVOKWKJMQLG-UHFFFAOYSA-N -1 1 282.307 1.366 20 0 CDADMM CCOC(=O)[C@H](CC)Sc1cccc(-c2nnn[n-]2)n1 ZINC000825486825 607900858 /nfs/dbraw/zinc/90/08/58/607900858.db2.gz ZOLBMNKRMKPJHP-VIFPVBQESA-N -1 1 293.352 1.696 20 0 CDADMM CCOC(=O)[C@H](CC)Sc1cccc(-c2nn[n-]n2)n1 ZINC000825486825 607900859 /nfs/dbraw/zinc/90/08/59/607900859.db2.gz ZOLBMNKRMKPJHP-VIFPVBQESA-N -1 1 293.352 1.696 20 0 CDADMM CSC[C@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000826228269 607902547 /nfs/dbraw/zinc/90/25/47/607902547.db2.gz KAXATIZDBGIBQJ-SECBINFHSA-N -1 1 276.369 1.594 20 0 CDADMM CSC[C@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000826228269 607902548 /nfs/dbraw/zinc/90/25/48/607902548.db2.gz KAXATIZDBGIBQJ-SECBINFHSA-N -1 1 276.369 1.594 20 0 CDADMM Cc1ccc(CN(C)c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826287926 607987655 /nfs/dbraw/zinc/98/76/55/607987655.db2.gz JOTQHJPTKCIBEI-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1ccc(CN(C)c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826287926 607987656 /nfs/dbraw/zinc/98/76/56/607987656.db2.gz JOTQHJPTKCIBEI-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM CC1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCC1 ZINC000824783326 607998366 /nfs/dbraw/zinc/99/83/66/607998366.db2.gz FOSLXWDERAVISE-UHFFFAOYSA-N -1 1 273.296 1.701 20 0 CDADMM CC(C)(O)[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000824171878 608193791 /nfs/dbraw/zinc/19/37/91/608193791.db2.gz GEMAGDGEWGKSTA-JTQLQIEISA-N -1 1 274.328 1.001 20 0 CDADMM CC(C)(O)[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000824171878 608193792 /nfs/dbraw/zinc/19/37/92/608193792.db2.gz GEMAGDGEWGKSTA-JTQLQIEISA-N -1 1 274.328 1.001 20 0 CDADMM O=C(Nc1cc(Cl)[nH]n1)c1ccc(-c2nn[n-]n2)s1 ZINC000826451592 608200525 /nfs/dbraw/zinc/20/05/25/608200525.db2.gz NJLHDLUXCYEAAR-UHFFFAOYSA-N -1 1 295.715 1.557 20 0 CDADMM CCN(CCc1ccccc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825425061 608400265 /nfs/dbraw/zinc/40/02/65/608400265.db2.gz ZLVGRMDSLDJPRW-UHFFFAOYSA-N -1 1 295.350 1.726 20 0 CDADMM CCN(CCc1ccccc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825425061 608400266 /nfs/dbraw/zinc/40/02/66/608400266.db2.gz ZLVGRMDSLDJPRW-UHFFFAOYSA-N -1 1 295.350 1.726 20 0 CDADMM CCn1nc(C)c(CNc2ccc(-c3nnn[n-]3)nn2)c1C ZINC000825806815 608411788 /nfs/dbraw/zinc/41/17/88/608411788.db2.gz GFSJQKOWAGHUBX-UHFFFAOYSA-N -1 1 299.342 1.102 20 0 CDADMM CCn1nc(C)c(CNc2ccc(-c3nn[n-]n3)nn2)c1C ZINC000825806815 608411789 /nfs/dbraw/zinc/41/17/89/608411789.db2.gz GFSJQKOWAGHUBX-UHFFFAOYSA-N -1 1 299.342 1.102 20 0 CDADMM COC1(C)CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000826143702 608411982 /nfs/dbraw/zinc/41/19/82/608411982.db2.gz LXHQKCYXTHJLQQ-UHFFFAOYSA-N -1 1 274.328 1.267 20 0 CDADMM COC1(C)CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000826143702 608411983 /nfs/dbraw/zinc/41/19/83/608411983.db2.gz LXHQKCYXTHJLQQ-UHFFFAOYSA-N -1 1 274.328 1.267 20 0 CDADMM CC(C)n1cc([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC000824655737 608417847 /nfs/dbraw/zinc/41/78/47/608417847.db2.gz FMRONKKJUYBIKA-VIFPVBQESA-N -1 1 299.342 1.607 20 0 CDADMM CC(C)n1cc([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC000824655737 608417849 /nfs/dbraw/zinc/41/78/49/608417849.db2.gz FMRONKKJUYBIKA-VIFPVBQESA-N -1 1 299.342 1.607 20 0 CDADMM C[C@@H]1CC(Nc2ccc(-c3nnn[n-]3)nn2)C[C@@H](C)C1 ZINC000824874647 608420720 /nfs/dbraw/zinc/42/07/20/608420720.db2.gz FHVLIPXFAYTWFR-IUCAKERBSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CC(Nc2ccc(-c3nn[n-]n3)nn2)C[C@@H](C)C1 ZINC000824874647 608420721 /nfs/dbraw/zinc/42/07/21/608420721.db2.gz FHVLIPXFAYTWFR-IUCAKERBSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@]1(c2ccccc2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824843181 608424251 /nfs/dbraw/zinc/42/42/51/608424251.db2.gz BIYRBFFZRMENKE-DOMZBBRYSA-N -1 1 293.334 1.799 20 0 CDADMM C[C@@]1(c2ccccc2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824843181 608424252 /nfs/dbraw/zinc/42/42/52/608424252.db2.gz BIYRBFFZRMENKE-DOMZBBRYSA-N -1 1 293.334 1.799 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NCC(C1CC1)C1CC1 ZINC000826514975 608427463 /nfs/dbraw/zinc/42/74/63/608427463.db2.gz JAHHFFRTAFQLKY-UHFFFAOYSA-N -1 1 271.328 1.505 20 0 CDADMM CCC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825251834 608431410 /nfs/dbraw/zinc/43/14/10/608431410.db2.gz DKMRGWYHJSVXRY-JTQLQIEISA-N -1 1 273.344 1.673 20 0 CDADMM CCC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000825251834 608431412 /nfs/dbraw/zinc/43/14/12/608431412.db2.gz DKMRGWYHJSVXRY-JTQLQIEISA-N -1 1 273.344 1.673 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC12CCC(CC1)C2 ZINC000826513970 609597282 /nfs/dbraw/zinc/59/72/82/609597282.db2.gz CIWXIZOKJSJUMU-UHFFFAOYSA-N -1 1 257.301 1.401 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC12CCC(CC1)C2 ZINC000826513970 609597285 /nfs/dbraw/zinc/59/72/85/609597285.db2.gz CIWXIZOKJSJUMU-UHFFFAOYSA-N -1 1 257.301 1.401 20 0 CDADMM O=C(c1ncc2ccccc2c1[O-])N1CC[C@@H](O)[C@H](F)C1 ZINC000890682650 617267841 /nfs/dbraw/zinc/26/78/41/617267841.db2.gz AOCXIZCQTBUWSP-VXGBXAGGSA-N -1 1 290.294 1.485 20 0 CDADMM CC(C)[C@H]1CN(C)CCN1C(=O)c1cccc(F)c1[O-] ZINC000933293017 617385624 /nfs/dbraw/zinc/38/56/24/617385624.db2.gz JZCUMDVIVCVODI-CYBMUJFWSA-N -1 1 280.343 1.944 20 0 CDADMM CC[C@@H](C)[C@@H](O)CNc1cc(=O)[n-]c(COC)n1 ZINC000892502570 617437527 /nfs/dbraw/zinc/43/75/27/617437527.db2.gz TZTSVPKSTOMBOY-BDAKNGLRSA-N -1 1 255.318 1.148 20 0 CDADMM CCC(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC000959295842 614770236 /nfs/dbraw/zinc/77/02/36/614770236.db2.gz ZIYLSBFGVOSHIT-GHMZBOCLSA-N -1 1 291.351 1.022 20 0 CDADMM CO[C@@H]1CC[C@@H](C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)C1 ZINC000891616204 617505289 /nfs/dbraw/zinc/50/52/89/617505289.db2.gz WLVXCPZSUYBJTK-NXEZZACHSA-N -1 1 291.351 1.815 20 0 CDADMM COCc1nc(NCCc2cccnc2)cc(=O)[n-]1 ZINC000891683935 617538089 /nfs/dbraw/zinc/53/80/89/617538089.db2.gz BWNSFWJRGSWWAH-UHFFFAOYSA-N -1 1 260.297 1.378 20 0 CDADMM COCc1nc(N(C)Cc2cnccc2C)cc(=O)[n-]1 ZINC000893628625 617722189 /nfs/dbraw/zinc/72/21/89/617722189.db2.gz YSZWAVHNWHVXPF-UHFFFAOYSA-N -1 1 274.324 1.668 20 0 CDADMM COC[C@H](C)[C@@H](C)C(=O)Nc1cc(C(=O)OC(C)C)[nH]n1 ZINC000888119062 620750369 /nfs/dbraw/zinc/75/03/69/620750369.db2.gz RKNCYZMZTFEHBJ-VHSXEESVSA-N -1 1 297.355 1.832 20 0 CDADMM COCc1nc(N2CCSC(C)(C)C2)cc(=O)[n-]1 ZINC000892861886 617836533 /nfs/dbraw/zinc/83/65/33/617836533.db2.gz QGHQEKVMIAEMDC-UHFFFAOYSA-N -1 1 269.370 1.660 20 0 CDADMM COCc1nc(N[C@@H](C)C[C@H]2CCOC2)cc(=O)[n-]1 ZINC000892910497 617892000 /nfs/dbraw/zinc/89/20/00/617892000.db2.gz DDPXTIZPVBDHMT-VHSXEESVSA-N -1 1 267.329 1.556 20 0 CDADMM C[C@@](NC(=O)c1[nH]nc2c1CCCCC2)(C(=O)[O-])C1CC1 ZINC000909323251 617963018 /nfs/dbraw/zinc/96/30/18/617963018.db2.gz OXRNHYPNCLEQRP-HNNXBMFYSA-N -1 1 291.351 1.662 20 0 CDADMM COCc1nc(N[C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)cc(=O)[n-]1 ZINC000893099588 618165132 /nfs/dbraw/zinc/16/51/32/618165132.db2.gz OVXALCRHTYYYSO-BZHVJNSISA-N -1 1 281.356 1.800 20 0 CDADMM COCc1nc(NC[C@@H](OC)C2CC2)cc(=O)[n-]1 ZINC000893989296 618238893 /nfs/dbraw/zinc/23/88/93/618238893.db2.gz UHWNWFMSVSWOLI-SECBINFHSA-N -1 1 253.302 1.166 20 0 CDADMM CCc1ccc(CN[C@H](C(=O)[O-])[C@H]2CCCOC2)o1 ZINC000901829988 618278321 /nfs/dbraw/zinc/27/83/21/618278321.db2.gz AIRMWGSIISOKIZ-GWCFXTLKSA-N -1 1 267.325 1.811 20 0 CDADMM C[C@@]1(CS(=O)(=O)[N-]CC2(C)OCCCO2)CC1(F)F ZINC000882125142 619308121 /nfs/dbraw/zinc/30/81/21/619308121.db2.gz AKELFCZAXZCGRU-VIFPVBQESA-N -1 1 299.339 1.104 20 0 CDADMM O=C([O-])[C@H](CC1CC1)NC(=O)c1[nH]nc2c1CCCCC2 ZINC000909468531 619346552 /nfs/dbraw/zinc/34/65/52/619346552.db2.gz ZLRCZIIDCWPFEB-LBPRGKRZSA-N -1 1 291.351 1.662 20 0 CDADMM O=C([O-])[C@H](CC1CC1)NC(=O)c1ccc2cncn2c1 ZINC000909472661 619354894 /nfs/dbraw/zinc/35/48/94/619354894.db2.gz SDWZAOVBQZPNLQ-LBPRGKRZSA-N -1 1 273.292 1.317 20 0 CDADMM C[C@@H](Cc1ccc(NC(=O)[C@H](C)N(C)C)cc1)C(=O)[O-] ZINC000909521681 619670094 /nfs/dbraw/zinc/67/00/94/619670094.db2.gz WDRDSONXCXIMAV-QWRGUYRKSA-N -1 1 278.352 1.838 20 0 CDADMM Cn1ccc(C2CCN(c3cc(Cl)[n-]c(=O)n3)CC2)n1 ZINC000895642481 619780141 /nfs/dbraw/zinc/78/01/41/619780141.db2.gz DSUZTRCPOPDOMJ-UHFFFAOYSA-N -1 1 293.758 1.953 20 0 CDADMM C[C@@H](C(=O)[N-]OCc1ccccn1)N1CCSCC1 ZINC000909541554 620264454 /nfs/dbraw/zinc/26/44/54/620264454.db2.gz FHOLKSVLTCVWBC-NSHDSACASA-N -1 1 281.381 1.067 20 0 CDADMM C[C@@H](CCO)CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897074801 620365694 /nfs/dbraw/zinc/36/56/94/620365694.db2.gz QVKPIDDQDFHPQA-JTQLQIEISA-N -1 1 289.331 1.999 20 0 CDADMM CN1CCC[C@H]1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000909600406 620491261 /nfs/dbraw/zinc/49/12/61/620491261.db2.gz NUSNUXMVEYJZHT-XJKSGUPXSA-N -1 1 290.363 1.239 20 0 CDADMM O=C(C[N@@H+]1CCC[C@@H](C(=O)[O-])C1)NCC1(C2CC2)CCC1 ZINC000909598707 620491866 /nfs/dbraw/zinc/49/18/66/620491866.db2.gz DEUBCTWMWRZSDE-GFCCVEGCSA-N -1 1 294.395 1.480 20 0 CDADMM O=C(CN1CCC[C@@H](C(=O)[O-])C1)NCC1(C2CC2)CCC1 ZINC000909598707 620491867 /nfs/dbraw/zinc/49/18/67/620491867.db2.gz DEUBCTWMWRZSDE-GFCCVEGCSA-N -1 1 294.395 1.480 20 0 CDADMM CC[C@H](C(=O)Nc1cc(COC)cc(C(=O)[O-])c1)N(C)C ZINC000909627907 620520663 /nfs/dbraw/zinc/52/06/63/620520663.db2.gz ZVXPYYFGQBPVAO-CYBMUJFWSA-N -1 1 294.351 1.810 20 0 CDADMM C[C@H]1C[C@@H](O)CN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897529729 620925222 /nfs/dbraw/zinc/92/52/22/620925222.db2.gz ULLGGSYZVLBXBB-JOYOIKCWSA-N -1 1 287.315 1.846 20 0 CDADMM Cc1nc(C)c(CC(=O)[N-]O[C@@H](CO)C(C)C)s1 ZINC000897952383 621244025 /nfs/dbraw/zinc/24/40/25/621244025.db2.gz GWZCTJISOGDCBT-JTQLQIEISA-N -1 1 272.370 1.367 20 0 CDADMM CC1CCN(CC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])CC1 ZINC000909677703 621568655 /nfs/dbraw/zinc/56/86/55/621568655.db2.gz NRXOWMYVLVBMGX-GZBFAFLISA-N -1 1 294.395 1.430 20 0 CDADMM CC[C@H](CNC(=O)[C@H]1CCCc2[nH]ncc21)C(=O)[O-] ZINC000902849231 625513549 /nfs/dbraw/zinc/51/35/49/625513549.db2.gz JODUYDATXTUTMA-BDAKNGLRSA-N -1 1 265.313 1.057 20 0 CDADMM Cc1cccc(CO[N-]C(=O)[C@H](C)N2CCSCC2)n1 ZINC000898933368 621972583 /nfs/dbraw/zinc/97/25/83/621972583.db2.gz AMYPSQAXPPVIJV-LBPRGKRZSA-N -1 1 295.408 1.375 20 0 CDADMM O=C(NCc1ccco1)c1cnc(C2CC2)[n-]c1=O ZINC000899902762 622519568 /nfs/dbraw/zinc/51/95/68/622519568.db2.gz AKEIAQZYFDKOKC-UHFFFAOYSA-N -1 1 259.265 1.583 20 0 CDADMM C[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)C1CCOCC1 ZINC000901078231 623858287 /nfs/dbraw/zinc/85/82/87/623858287.db2.gz PDFMZNQRGISBRW-VIFPVBQESA-N -1 1 291.351 1.605 20 0 CDADMM C[C@@H](C(=O)[O-])N(C)C(=O)c1cc2[nH]cnc2cc1F ZINC000901452579 624239523 /nfs/dbraw/zinc/23/95/23/624239523.db2.gz XYDQVXFBKQVPMG-LURJTMIESA-N -1 1 265.244 1.247 20 0 CDADMM Cc1cc(NC(=O)[C@@H](C)N(C)C)ccc1C(=O)[O-] ZINC000901476645 624265377 /nfs/dbraw/zinc/26/53/77/624265377.db2.gz GIBOYMXCEUAQDL-SECBINFHSA-N -1 1 250.298 1.582 20 0 CDADMM O=C([O-])[C@H]1CCCCN1C(=O)c1cc2[nH]cnc2cc1F ZINC000901498773 624301762 /nfs/dbraw/zinc/30/17/62/624301762.db2.gz AABUVFRPCUPBRY-GFCCVEGCSA-N -1 1 291.282 1.781 20 0 CDADMM Cc1occc1CN1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000901524312 624317020 /nfs/dbraw/zinc/31/70/20/624317020.db2.gz LFPDLJDWUKPGSC-LBPRGKRZSA-N -1 1 290.323 1.715 20 0 CDADMM CO[C@@H](CN[C@@H](C(=O)[O-])c1cccs1)C1CC1 ZINC000901597005 624364468 /nfs/dbraw/zinc/36/44/68/624364468.db2.gz CRPDPDBUYVXWMM-GXSJLCMTSA-N -1 1 255.339 1.888 20 0 CDADMM O=C([O-])[C@H](N[C@@H]1CCOC1)c1cc(F)ccc1F ZINC000901635132 624382521 /nfs/dbraw/zinc/38/25/21/624382521.db2.gz IASZRRJUIOQEBW-LDYMZIIASA-N -1 1 257.236 1.469 20 0 CDADMM Cc1cc(Cl)ncc1[N-]S(=O)(=O)N=S(C)(C)=O ZINC000901641306 624386353 /nfs/dbraw/zinc/38/63/53/624386353.db2.gz HGQGPFZXAJSIMH-UHFFFAOYSA-N -1 1 297.789 1.428 20 0 CDADMM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000901661357 624397746 /nfs/dbraw/zinc/39/77/46/624397746.db2.gz KYYDODVDSWKNIU-UWVGGRQHSA-N -1 1 287.319 1.746 20 0 CDADMM C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)NC(C)(C)C(=O)[O-] ZINC000902211484 624538493 /nfs/dbraw/zinc/53/84/93/624538493.db2.gz VOXWGTPOQIGCGW-OIBJUYFYSA-N -1 1 265.313 1.055 20 0 CDADMM CC1CCN(CC(=O)NCc2ccccc2C(=O)[O-])CC1 ZINC000902370238 624702126 /nfs/dbraw/zinc/70/21/26/624702126.db2.gz QJPIQPKNEYFXBE-UHFFFAOYSA-N -1 1 290.363 1.733 20 0 CDADMM CC[C@H](COCC1CC1)NCc1cc(C(=O)[O-])no1 ZINC000902355747 624719395 /nfs/dbraw/zinc/71/93/95/624719395.db2.gz OCLXVDYZJRAXJP-SNVBAGLBSA-N -1 1 268.313 1.668 20 0 CDADMM C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000902512077 624884740 /nfs/dbraw/zinc/88/47/40/624884740.db2.gz IMEUFRMUQJFWCD-HOSYDEDBSA-N -1 1 291.351 1.399 20 0 CDADMM C[C@@H]1CN(CC(=O)[O-])C[C@H](C)N1CC(F)(F)F ZINC000903712566 626069176 /nfs/dbraw/zinc/06/91/76/626069176.db2.gz OEPJSVOWXZWCPA-OCAPTIKFSA-N -1 1 254.252 1.028 20 0 CDADMM C[C@@H]1C[C@H](C)[N@@H+](Cc2cnn(C)n2)[C@H](C)[C@H]1C(=O)[O-] ZINC000903950789 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GXNAPCUENBECKL-RKDXNWHRSA-N -1 1 288.355 1.023 20 0 CDADMM Cc1cc(N[C@H]2CCCC2(C)C)cc(-c2nnn[n-]2)n1 ZINC001605722719 1163651379 /nfs/dbraw/zinc/65/13/79/1163651379.db2.gz IYAPTKWEHVATMA-LBPRGKRZSA-N -1 1 272.356 1.983 20 0 CDADMM Cc1cc(N[C@H]2CCCC2(C)C)cc(-c2nn[n-]n2)n1 ZINC001605722719 1163651381 /nfs/dbraw/zinc/65/13/81/1163651381.db2.gz IYAPTKWEHVATMA-LBPRGKRZSA-N -1 1 272.356 1.983 20 0 CDADMM Cc1cc(NC2C[C@H](C)O[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001605723271 1163651881 /nfs/dbraw/zinc/65/18/81/1163651881.db2.gz QAFIDEPOXJPPEX-UWVGGRQHSA-N -1 1 288.355 1.360 20 0 CDADMM Cc1cc(NC2C[C@H](C)O[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001605723271 1163651883 /nfs/dbraw/zinc/65/18/83/1163651883.db2.gz QAFIDEPOXJPPEX-UWVGGRQHSA-N -1 1 288.355 1.360 20 0 CDADMM Cc1ccc(CN(C)c2ncncc2-c2nn[n-]n2)s1 ZINC001605846381 1163686506 /nfs/dbraw/zinc/68/65/06/1163686506.db2.gz HXNMCQJEUDYYMU-UHFFFAOYSA-N -1 1 287.352 1.663 20 0 CDADMM CCc1nc([C@H](C)NC(=O)C[C@@H](C)CC(=O)[O-])n[nH]1 ZINC001605845655 1163686519 /nfs/dbraw/zinc/68/65/19/1163686519.db2.gz PCPSTSXHWFHJEZ-SFYZADRCSA-N -1 1 268.317 1.045 20 0 CDADMM Cc1coc(CNCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001605996273 1163739272 /nfs/dbraw/zinc/73/92/72/1163739272.db2.gz OVJGZICLQCVXFU-UHFFFAOYSA-N -1 1 276.325 1.514 20 0 CDADMM Cc1coc(CNCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001605996273 1163739275 /nfs/dbraw/zinc/73/92/75/1163739275.db2.gz OVJGZICLQCVXFU-UHFFFAOYSA-N -1 1 276.325 1.514 20 0 CDADMM Cc1conc1NCc1nc(-c2nnn[n-]2)cs1 ZINC001605999591 1163739538 /nfs/dbraw/zinc/73/95/38/1163739538.db2.gz XUFPDHIKGJTPLQ-UHFFFAOYSA-N -1 1 263.286 1.232 20 0 CDADMM Cc1conc1NCc1nc(-c2nn[n-]n2)cs1 ZINC001605999591 1163739547 /nfs/dbraw/zinc/73/95/47/1163739547.db2.gz XUFPDHIKGJTPLQ-UHFFFAOYSA-N -1 1 263.286 1.232 20 0 CDADMM Cc1cscc1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001606006832 1163741320 /nfs/dbraw/zinc/74/13/20/1163741320.db2.gz MCIBMBBYEUGZLT-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1cscc1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001606006832 1163741326 /nfs/dbraw/zinc/74/13/26/1163741326.db2.gz MCIBMBBYEUGZLT-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H]3CCC[C@@H]32)n1 ZINC001606020905 1163748974 /nfs/dbraw/zinc/74/89/74/1163748974.db2.gz DUSOZJZCGWXKPE-JQWIXIFHSA-N -1 1 285.355 1.734 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H]3CCC[C@@H]32)n1 ZINC001606020905 1163748980 /nfs/dbraw/zinc/74/89/80/1163748980.db2.gz DUSOZJZCGWXKPE-JQWIXIFHSA-N -1 1 285.355 1.734 20 0 CDADMM Cc1nc(CCNc2ncncc2-c2nn[n-]n2)cs1 ZINC001606042241 1163755743 /nfs/dbraw/zinc/75/57/43/1163755743.db2.gz QEVQJAWHIHRMIP-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM Cc1nc(NCCC(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001606072566 1163762354 /nfs/dbraw/zinc/76/23/54/1163762354.db2.gz ZOGZXCAGSXJJOC-UHFFFAOYSA-N -1 1 261.333 1.813 20 0 CDADMM Cc1nc(NCCC(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001606072566 1163762364 /nfs/dbraw/zinc/76/23/64/1163762364.db2.gz ZOGZXCAGSXJJOC-UHFFFAOYSA-N -1 1 261.333 1.813 20 0 CDADMM CN(Cc1ccc(C(=O)[O-])cc1F)C[C@H](O)C1CC1 ZINC001606154211 1163789920 /nfs/dbraw/zinc/78/99/20/1163789920.db2.gz SUOOCRAUDXEXHJ-ZDUSSCGKSA-N -1 1 267.300 1.727 20 0 CDADMM CN(Cc1cccc(S(C)(=O)=O)c1)C(C)(C)CC(=O)[O-] ZINC001606167260 1163794370 /nfs/dbraw/zinc/79/43/70/1163794370.db2.gz UTMWTMDKBDPLRS-UHFFFAOYSA-N -1 1 299.392 1.775 20 0 CDADMM FC1(F)C[C@]12CCCN(c1ncncc1-c1nn[n-]n1)C2 ZINC001606300052 1163846803 /nfs/dbraw/zinc/84/68/03/1163846803.db2.gz GEGZRIRWIALCOG-NSHDSACASA-N -1 1 293.281 1.282 20 0 CDADMM Fc1ccc(COc2ccc(F)nc2-c2nn[n-]n2)nc1 ZINC001606319504 1163857436 /nfs/dbraw/zinc/85/74/36/1163857436.db2.gz PCTGIMACBSMBSG-UHFFFAOYSA-N -1 1 290.233 1.514 20 0 CDADMM Fc1ccc2c(c1)CN(c1ncncc1-c1nn[n-]n1)CC2 ZINC001606326865 1163863283 /nfs/dbraw/zinc/86/32/83/1163863283.db2.gz LWUWAUCMYUPRTD-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@]12C[C@H]1CCC2 ZINC001606897492 1164026597 /nfs/dbraw/zinc/02/65/97/1164026597.db2.gz KXYOFIZEZZIAAB-YMTOWFKASA-N -1 1 285.307 1.701 20 0 CDADMM COC[C@@H]1C[C@@H](O)CN1Cc1csc(C(=O)[O-])c1 ZINC001606937688 1164034380 /nfs/dbraw/zinc/03/43/80/1164034380.db2.gz FYZRYNJPHVDIGX-VHSXEESVSA-N -1 1 271.338 1.028 20 0 CDADMM O=C(Nc1cnn2ccccc12)c1coc(-c2nnn[n-]2)c1 ZINC001606946845 1164036940 /nfs/dbraw/zinc/03/69/40/1164036940.db2.gz ACNZXCPIRSQVRL-UHFFFAOYSA-N -1 1 295.262 1.360 20 0 CDADMM O=C(Nc1cnn2ccccc12)c1coc(-c2nn[n-]n2)c1 ZINC001606946845 1164036943 /nfs/dbraw/zinc/03/69/43/1164036943.db2.gz ACNZXCPIRSQVRL-UHFFFAOYSA-N -1 1 295.262 1.360 20 0 CDADMM O=C(OCc1ccccn1)c1sccc1-c1nn[n-]n1 ZINC001606982283 1164047721 /nfs/dbraw/zinc/04/77/21/1164047721.db2.gz KKHJTMWSIRPFBZ-UHFFFAOYSA-N -1 1 287.304 1.680 20 0 CDADMM CO[C@@H]1COC[C@@H]1NCc1ccc(C(=O)[O-])cc1F ZINC001606999917 1164058191 /nfs/dbraw/zinc/05/81/91/1164058191.db2.gz LWIUDNKIRRXZPG-NWDGAFQWSA-N -1 1 269.272 1.027 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1CC1CCCCCC1 ZINC001607091411 1164075601 /nfs/dbraw/zinc/07/56/01/1164075601.db2.gz MQAYGSGUGJBFBA-UHFFFAOYSA-N -1 1 273.340 1.999 20 0 CDADMM c1c(NC2CCOCC2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001607114959 1164096353 /nfs/dbraw/zinc/09/63/53/1164096353.db2.gz XREREXAUELBNCN-UHFFFAOYSA-N -1 1 287.327 1.125 20 0 CDADMM c1c(NC2CCOCC2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001607114959 1164096358 /nfs/dbraw/zinc/09/63/58/1164096358.db2.gz XREREXAUELBNCN-UHFFFAOYSA-N -1 1 287.327 1.125 20 0 CDADMM c1cc(CSc2ccnc(-c3nn[n-]n3)n2)ccn1 ZINC001607119845 1164103747 /nfs/dbraw/zinc/10/37/47/1164103747.db2.gz JMTWBBHMXWMHAY-UHFFFAOYSA-N -1 1 271.309 1.344 20 0 CDADMM c1ncc(N2CCCC3(CCCC3)C2)nc1-c1nnn[n-]1 ZINC001607138964 1164119908 /nfs/dbraw/zinc/11/99/08/1164119908.db2.gz QBCQRUBWBUCYGB-UHFFFAOYSA-N -1 1 285.355 1.817 20 0 CDADMM c1ncc(N2CCCC3(CCCC3)C2)nc1-c1nn[n-]n1 ZINC001607138964 1164119913 /nfs/dbraw/zinc/11/99/13/1164119913.db2.gz QBCQRUBWBUCYGB-UHFFFAOYSA-N -1 1 285.355 1.817 20 0 CDADMM C[C@H]1CN(CCCOCC(F)(F)F)C[C@@H](C(=O)[O-])O1 ZINC001607476285 1164197288 /nfs/dbraw/zinc/19/72/88/1164197288.db2.gz KCOZRPAWYDHZPV-IUCAKERBSA-N -1 1 285.262 1.129 20 0 CDADMM Cc1ccc(C(=O)NCCCc2nc[nH]n2)cc1C(=O)[O-] ZINC001607732444 1164280746 /nfs/dbraw/zinc/28/07/46/1164280746.db2.gz LPAYWJVNNAUEFP-UHFFFAOYSA-N -1 1 288.307 1.174 20 0 CDADMM Cc1nnc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)[nH]1 ZINC001607964236 1164356316 /nfs/dbraw/zinc/35/63/16/1164356316.db2.gz ZGIHZQPKTMLNBU-UHFFFAOYSA-N -1 1 280.671 1.717 20 0 CDADMM Cc1n[nH]c(NC(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC001607964236 1164356322 /nfs/dbraw/zinc/35/63/22/1164356322.db2.gz ZGIHZQPKTMLNBU-UHFFFAOYSA-N -1 1 280.671 1.717 20 0 CDADMM Cc1ncoc1CN1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001607992593 1164367074 /nfs/dbraw/zinc/36/70/74/1164367074.db2.gz CGHJJDLHZPXVPK-JTQLQIEISA-N -1 1 278.230 1.822 20 0 CDADMM Cc1nnc(CN[C@@]2(C)CCCC[C@H]2C(=O)[O-])o1 ZINC001608016622 1164377971 /nfs/dbraw/zinc/37/79/71/1164377971.db2.gz QVMHNRJDDXZNKQ-CABZTGNLSA-N -1 1 253.302 1.501 20 0 CDADMM Cn1c(CN[C@H](C(=O)[O-])c2cccc(O)c2)cnc1Cl ZINC001608103026 1164410100 /nfs/dbraw/zinc/41/01/00/1164410100.db2.gz IEADYKNBQDOPHF-NSHDSACASA-N -1 1 295.726 1.695 20 0 CDADMM Cn1nc(NC(=O)c2cccc3nc[nH]c32)cc1C(=O)[O-] ZINC001608150935 1164425908 /nfs/dbraw/zinc/42/59/08/1164425908.db2.gz FIGWMEXJXSYGLH-UHFFFAOYSA-N -1 1 285.263 1.247 20 0 CDADMM NCc1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])co1 ZINC001608257948 1164472212 /nfs/dbraw/zinc/47/22/12/1164472212.db2.gz REYPSGRTANATBU-UWJYBYFXSA-N -1 1 278.308 1.064 20 0 CDADMM C[C@H](Cc1cnc[nH]1)C(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC000864116234 1164510614 /nfs/dbraw/zinc/51/06/14/1164510614.db2.gz OFYFSYHQCMTAQZ-BDAKNGLRSA-N -1 1 265.313 1.052 20 0 CDADMM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1ccc(CN2CCCC2)o1 ZINC001608490659 1164526266 /nfs/dbraw/zinc/52/62/66/1164526266.db2.gz SWFRCBGUEWJXCZ-NEPJUHHUSA-N -1 1 292.335 1.468 20 0 CDADMM O=C([O-])[C@@H](c1ccccc1)N1CCc2n[nH]cc2C1 ZINC001608561015 1164546136 /nfs/dbraw/zinc/54/61/36/1164546136.db2.gz IGHACCDEEBFJEJ-CYBMUJFWSA-N -1 1 257.293 1.594 20 0 CDADMM O=C([O-])[C@H](c1ccccc1)N1CCc2n[nH]cc2C1 ZINC001608561016 1164546254 /nfs/dbraw/zinc/54/62/54/1164546254.db2.gz IGHACCDEEBFJEJ-ZDUSSCGKSA-N -1 1 257.293 1.594 20 0 CDADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1cccs1)C[C@@H]2C(=O)[O-] ZINC001608611467 1164572236 /nfs/dbraw/zinc/57/22/36/1164572236.db2.gz ROGUXKLRFZJTJC-GOSTWBGLSA-N -1 1 295.360 1.746 20 0 CDADMM O=C([O-])C[C@H](NC(=O)c1[nH]ncc1F)C1CCCC1 ZINC001608674773 1164599497 /nfs/dbraw/zinc/59/94/97/1164599497.db2.gz YDGZEHPUUYMYMO-VIFPVBQESA-N -1 1 269.276 1.312 20 0 CDADMM CC(C)(CNc1cccnc1-c1nnn[n-]1)OCC1CC1 ZINC001609084221 1164761233 /nfs/dbraw/zinc/76/12/33/1164761233.db2.gz OSSKJBPOEGABJA-UHFFFAOYSA-N -1 1 288.355 1.879 20 0 CDADMM CC(C)(CNc1cccnc1-c1nn[n-]n1)OCC1CC1 ZINC001609084221 1164761238 /nfs/dbraw/zinc/76/12/38/1164761238.db2.gz OSSKJBPOEGABJA-UHFFFAOYSA-N -1 1 288.355 1.879 20 0 CDADMM CC(C)C(NC(=O)c1cccc(-c2nnn[n-]2)n1)C(C)C ZINC001609088672 1164764856 /nfs/dbraw/zinc/76/48/56/1164764856.db2.gz WFWDKUYPVNSYQI-UHFFFAOYSA-N -1 1 288.355 1.672 20 0 CDADMM CC(C)C(NC(=O)c1cccc(-c2nn[n-]n2)n1)C(C)C ZINC001609088672 1164764860 /nfs/dbraw/zinc/76/48/60/1164764860.db2.gz WFWDKUYPVNSYQI-UHFFFAOYSA-N -1 1 288.355 1.672 20 0 CDADMM C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccccn1 ZINC001609121911 1164779605 /nfs/dbraw/zinc/77/96/05/1164779605.db2.gz LAOSLUAUMPALCL-SECBINFHSA-N -1 1 295.306 1.148 20 0 CDADMM C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccccn1 ZINC001609121911 1164779610 /nfs/dbraw/zinc/77/96/10/1164779610.db2.gz LAOSLUAUMPALCL-SECBINFHSA-N -1 1 295.306 1.148 20 0 CDADMM CC1(CC(=O)Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001609148661 1164797868 /nfs/dbraw/zinc/79/78/68/1164797868.db2.gz GUGWVCHADGVGIR-UHFFFAOYSA-N -1 1 258.285 1.390 20 0 CDADMM CC1(CC(=O)Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001609148661 1164797874 /nfs/dbraw/zinc/79/78/74/1164797874.db2.gz GUGWVCHADGVGIR-UHFFFAOYSA-N -1 1 258.285 1.390 20 0 CDADMM C[C@@H]1CCCC[C@H]1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001609163960 1164810530 /nfs/dbraw/zinc/81/05/30/1164810530.db2.gz IZSGUJBAFSGPRK-RKDXNWHRSA-N -1 1 289.343 1.365 20 0 CDADMM C[C@@H]1CCCC[C@H]1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001609163960 1164810538 /nfs/dbraw/zinc/81/05/38/1164810538.db2.gz IZSGUJBAFSGPRK-RKDXNWHRSA-N -1 1 289.343 1.365 20 0 CDADMM CCC(CC)CNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001609189099 1164830202 /nfs/dbraw/zinc/83/02/02/1164830202.db2.gz KYVHXKJKDHLHJD-UHFFFAOYSA-N -1 1 277.328 1.934 20 0 CDADMM CCC(CC)CNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609189099 1164830214 /nfs/dbraw/zinc/83/02/14/1164830214.db2.gz KYVHXKJKDHLHJD-UHFFFAOYSA-N -1 1 277.328 1.934 20 0 CDADMM CC[C@@H]1CN(c2cccnc2-c2nnn[n-]2)CCS1 ZINC001609202365 1164842944 /nfs/dbraw/zinc/84/29/44/1164842944.db2.gz FSTYSKJORDZSOL-SECBINFHSA-N -1 1 276.369 1.594 20 0 CDADMM CC[C@@H]1CN(c2cccnc2-c2nn[n-]n2)CCS1 ZINC001609202365 1164842952 /nfs/dbraw/zinc/84/29/52/1164842952.db2.gz FSTYSKJORDZSOL-SECBINFHSA-N -1 1 276.369 1.594 20 0 CDADMM CCc1ccc(COc2cccnc2-c2nnn[n-]2)nc1 ZINC001609251889 1164867048 /nfs/dbraw/zinc/86/70/48/1164867048.db2.gz QRSWUZHGLDJIBH-UHFFFAOYSA-N -1 1 282.307 1.798 20 0 CDADMM CCc1ccc(COc2cccnc2-c2nn[n-]n2)nc1 ZINC001609251889 1164867053 /nfs/dbraw/zinc/86/70/53/1164867053.db2.gz QRSWUZHGLDJIBH-UHFFFAOYSA-N -1 1 282.307 1.798 20 0 CDADMM CCc1noc(C)c1CNc1cccc(-c2nnn[n-]2)n1 ZINC001609256122 1164867899 /nfs/dbraw/zinc/86/78/99/1164867899.db2.gz KGQQLBPTECPBRR-UHFFFAOYSA-N -1 1 285.311 1.733 20 0 CDADMM CCc1noc(C)c1CNc1cccc(-c2nn[n-]n2)n1 ZINC001609256122 1164867905 /nfs/dbraw/zinc/86/79/05/1164867905.db2.gz KGQQLBPTECPBRR-UHFFFAOYSA-N -1 1 285.311 1.733 20 0 CDADMM CO[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2 ZINC001609313664 1164893019 /nfs/dbraw/zinc/89/30/19/1164893019.db2.gz PGDPFSBDDQAFIP-ZJUUUORDSA-N -1 1 287.327 1.026 20 0 CDADMM CO[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2 ZINC001609313664 1164893031 /nfs/dbraw/zinc/89/30/31/1164893031.db2.gz PGDPFSBDDQAFIP-ZJUUUORDSA-N -1 1 287.327 1.026 20 0 CDADMM Cc1csc(Sc2nc(C)cc(-c3nnn[n-]3)n2)n1 ZINC001609393062 1164925258 /nfs/dbraw/zinc/92/52/58/1164925258.db2.gz WEWFEGWUQAILHL-UHFFFAOYSA-N -1 1 291.365 1.881 20 0 CDADMM Cc1csc(Sc2nc(C)cc(-c3nn[n-]n3)n2)n1 ZINC001609393062 1164925263 /nfs/dbraw/zinc/92/52/63/1164925263.db2.gz WEWFEGWUQAILHL-UHFFFAOYSA-N -1 1 291.365 1.881 20 0 CDADMM Cc1cc(NCCCOC(C)C)cc(-c2nnn[n-]2)n1 ZINC001609409526 1164935029 /nfs/dbraw/zinc/93/50/29/1164935029.db2.gz MTFINEOXSJTYGV-UHFFFAOYSA-N -1 1 276.344 1.797 20 0 CDADMM Cc1cc(NCCCOC(C)C)cc(-c2nn[n-]n2)n1 ZINC001609409526 1164935037 /nfs/dbraw/zinc/93/50/37/1164935037.db2.gz MTFINEOXSJTYGV-UHFFFAOYSA-N -1 1 276.344 1.797 20 0 CDADMM Cc1ccc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)nc1 ZINC001609423731 1164939129 /nfs/dbraw/zinc/93/91/29/1164939129.db2.gz MUNQOPYLDJIIGI-UHFFFAOYSA-N -1 1 296.338 1.783 20 0 CDADMM Cc1ccc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)nc1 ZINC001609423731 1164939134 /nfs/dbraw/zinc/93/91/34/1164939134.db2.gz MUNQOPYLDJIIGI-UHFFFAOYSA-N -1 1 296.338 1.783 20 0 CDADMM Cc1ccc(N[C@H]2CCS[C@@H]2C)nc1-c1nnn[n-]1 ZINC001609426052 1164941866 /nfs/dbraw/zinc/94/18/66/1164941866.db2.gz BQKKQDFUCVXPEV-BDAKNGLRSA-N -1 1 276.369 1.876 20 0 CDADMM Cc1ccc(N[C@H]2CCS[C@@H]2C)nc1-c1nn[n-]n1 ZINC001609426052 1164941873 /nfs/dbraw/zinc/94/18/73/1164941873.db2.gz BQKKQDFUCVXPEV-BDAKNGLRSA-N -1 1 276.369 1.876 20 0 CDADMM Cc1ccc(NCC[C@H]2CCCCO2)nc1-c1nnn[n-]1 ZINC001609426402 1164942884 /nfs/dbraw/zinc/94/28/84/1164942884.db2.gz RHIJQFATOZOYBK-LLVKDONJSA-N -1 1 288.355 1.941 20 0 CDADMM Cc1ccc(NCC[C@H]2CCCCO2)nc1-c1nn[n-]n1 ZINC001609426402 1164942892 /nfs/dbraw/zinc/94/28/92/1164942892.db2.gz RHIJQFATOZOYBK-LLVKDONJSA-N -1 1 288.355 1.941 20 0 CDADMM Cc1ccnc(COc2ccc(F)nc2-c2nn[n-]n2)n1 ZINC001609438611 1164944757 /nfs/dbraw/zinc/94/47/57/1164944757.db2.gz WEERBTIVFIVGIP-UHFFFAOYSA-N -1 1 287.258 1.078 20 0 CDADMM Cc1ccncc1[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609439231 1164949119 /nfs/dbraw/zinc/94/91/19/1164949119.db2.gz SCCSSWBBOWABGZ-VIFPVBQESA-N -1 1 298.306 1.654 20 0 CDADMM O=C(N[C@@H](C1CC1)C1CCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001609539246 1164982641 /nfs/dbraw/zinc/98/26/41/1164982641.db2.gz UZIDJWMCWAWOQA-CYBMUJFWSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(N[C@@H](C1CC1)C1CCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001609539246 1164982649 /nfs/dbraw/zinc/98/26/49/1164982649.db2.gz UZIDJWMCWAWOQA-CYBMUJFWSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(OC[C@H]1CCCS1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609574111 1164993540 /nfs/dbraw/zinc/99/35/40/1164993540.db2.gz HIBNPIVQIWBRPI-SECBINFHSA-N -1 1 291.336 1.314 20 0 CDADMM O=C(OC[C@H]1CCCS1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609574111 1164993545 /nfs/dbraw/zinc/99/35/45/1164993545.db2.gz HIBNPIVQIWBRPI-SECBINFHSA-N -1 1 291.336 1.314 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N(CC2CC2)CC2CCC2)n1 ZINC001609619760 1165014222 /nfs/dbraw/zinc/01/42/22/1165014222.db2.gz AXNVFICOCJFRBT-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N(CC2CC2)CC2CCC2)n1 ZINC001609619760 1165014229 /nfs/dbraw/zinc/01/42/29/1165014229.db2.gz AXNVFICOCJFRBT-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@]1(C(=O)[O-])CCCN(Cn2c(=O)oc3ccccc32)C1 ZINC001609811022 1165090972 /nfs/dbraw/zinc/09/09/72/1165090972.db2.gz GSAQOIUBBYYGRU-HNNXBMFYSA-N -1 1 290.319 1.739 20 0 CDADMM CCc1oc(CNCc2ncccc2O)cc1C(=O)[O-] ZINC001610081403 1165210162 /nfs/dbraw/zinc/21/01/62/1165210162.db2.gz OBNZMYWCCBCTJX-UHFFFAOYSA-N -1 1 276.292 1.931 20 0 CDADMM Cc1cccc(CN2CCC[C@@H]2C(=O)NCC(=O)[O-])c1 ZINC001610522013 1165338283 /nfs/dbraw/zinc/33/82/83/1165338283.db2.gz LGJCKZSTUMKROV-CYBMUJFWSA-N -1 1 276.336 1.160 20 0 CDADMM Cc1sc([C@H]2CCCN2CCCO)nc1C(=O)[O-] ZINC001610591104 1165370236 /nfs/dbraw/zinc/37/02/36/1165370236.db2.gz FWPDXSQIQLKQRJ-SECBINFHSA-N -1 1 270.354 1.669 20 0 CDADMM O=C([O-])c1ccc(-c2nc([C@@H]3CCCN3)no2)cc1F ZINC001610818129 1165452352 /nfs/dbraw/zinc/45/23/52/1165452352.db2.gz IAMAMHBJEVCPPE-JTQLQIEISA-N -1 1 277.255 1.998 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)[C@]3(F)CCOC3)[nH]c21 ZINC001610850145 1165461275 /nfs/dbraw/zinc/46/12/75/1165461275.db2.gz PKKVWXLGPMZINQ-ZDUSSCGKSA-N -1 1 293.254 1.328 20 0 CDADMM O=C([O-])c1cn([C@@H]2CCN(Cc3ccc(F)cc3)C2)nn1 ZINC001610859866 1165464592 /nfs/dbraw/zinc/46/45/92/1165464592.db2.gz XQKJBMLHPXBARF-GFCCVEGCSA-N -1 1 290.298 1.562 20 0 CDADMM O=C(Nc1cccc2c1OCC2)c1ccc([O-])cn1 ZINC001632962404 1166388415 /nfs/dbraw/zinc/38/84/15/1166388415.db2.gz MCFYIXKMYAVTNP-UHFFFAOYSA-N -1 1 256.261 1.974 20 0 CDADMM O=S(=O)(CC(F)(F)F)[N-]c1cc(Cl)ncc1O ZINC001253118730 1166389025 /nfs/dbraw/zinc/38/90/25/1166389025.db2.gz VOWNMSRHKIAISX-UHFFFAOYSA-N -1 1 290.650 1.745 20 0 CDADMM C[C@H](C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)n1cccn1 ZINC001634381636 1166496062 /nfs/dbraw/zinc/49/60/62/1166496062.db2.gz LCWWTWHOCUVCND-LLVKDONJSA-N -1 1 297.318 1.974 20 0 CDADMM Cc1nc(CNC(=O)c2cccc([O-])c2F)[nH]c1C ZINC001635376095 1166584036 /nfs/dbraw/zinc/58/40/36/1166584036.db2.gz ZERVAINLFUCOBG-UHFFFAOYSA-N -1 1 263.272 1.801 20 0 CDADMM Cn1nncc1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001636000350 1166639761 /nfs/dbraw/zinc/63/97/61/1166639761.db2.gz JOPOTHNEDSJBID-UHFFFAOYSA-N -1 1 266.688 1.355 20 0 CDADMM COc1c[nH]nc1NC(=O)c1ccc(OC)cc1[O-] ZINC001640537485 1167034610 /nfs/dbraw/zinc/03/46/10/1167034610.db2.gz WDYBJCKSTFDZBB-UHFFFAOYSA-N -1 1 263.253 1.385 20 0 CDADMM COC1CCC(NC(=O)c2[n-][nH]c3cc(=O)ccc2-3)CC1 ZINC001155269837 1167111040 /nfs/dbraw/zinc/11/10/40/1167111040.db2.gz RBNCHPRMKVFHQR-UHFFFAOYSA-N -1 1 289.335 1.956 20 0 CDADMM CC1(C)[C@H](O)C[C@H]1NC(=O)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155273112 1167113006 /nfs/dbraw/zinc/11/30/06/1167113006.db2.gz JAYPKMHLCPUXAW-GHMZBOCLSA-N -1 1 275.308 1.158 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cc(-c2cccc(O)c2)on1 ZINC001641601775 1167124792 /nfs/dbraw/zinc/12/47/92/1167124792.db2.gz ZEQKWMOUFDRYKB-UHFFFAOYSA-N -1 1 286.247 1.728 20 0 CDADMM CO[C@H](C)[C@H](NCc1c(F)cc(C)cc1F)C(=O)[O-] ZINC001646384436 1167832277 /nfs/dbraw/zinc/83/22/77/1167832277.db2.gz SPDLDIDSNULMON-PELKAZGASA-N -1 1 273.279 1.851 20 0 CDADMM CSc1ncc(C(=O)NC/C=C\Cl)c(=O)[n-]1 ZINC001646517179 1167894992 /nfs/dbraw/zinc/89/49/92/1167894992.db2.gz ITMPIEPAIIPZLI-IHWYPQMZSA-N -1 1 259.718 1.386 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cccc(C[S@@](C)=O)c1 ZINC001647211908 1168454027 /nfs/dbraw/zinc/45/40/27/1168454027.db2.gz WXOAJXGBNMSFOY-HXUWFJFHSA-N -1 1 293.348 1.555 20 0 CDADMM CCc1oc(CN[C@H](COC)[C@@H]2CCCO2)cc1C(=O)[O-] ZINC001650012932 1169606169 /nfs/dbraw/zinc/60/61/69/1169606169.db2.gz PGSTXOUFURKQSU-OCCSQVGLSA-N -1 1 297.351 1.824 20 0 CDADMM O=C(CO[C@@H]1CCOC1)Nc1cc([O-])c(F)cc1F ZINC001650024411 1169622268 /nfs/dbraw/zinc/62/22/68/1169622268.db2.gz WHAQUWGGECMEHY-SSDOTTSWSA-N -1 1 273.235 1.414 20 0 CDADMM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1ncn[nH]1 ZINC001574172891 1170905237 /nfs/dbraw/zinc/90/52/37/1170905237.db2.gz OGIIUJBQDFMUDF-JTQLQIEISA-N -1 1 274.280 1.059 20 0 CDADMM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1nc[nH]n1 ZINC001574172891 1170905250 /nfs/dbraw/zinc/90/52/50/1170905250.db2.gz OGIIUJBQDFMUDF-JTQLQIEISA-N -1 1 274.280 1.059 20 0 CDADMM Cn1nc(-c2ccccc2)cc1C(=O)Nc1ccncc1[O-] ZINC001650783595 1171256536 /nfs/dbraw/zinc/25/65/36/1171256536.db2.gz SQUOJLOJQIEFMQ-UHFFFAOYSA-N -1 1 294.314 1.862 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1scnc1Cl ZINC001582807402 1172692210 /nfs/dbraw/zinc/69/22/10/1172692210.db2.gz ZNWSSNCHXULUIU-UHFFFAOYSA-N -1 1 294.727 1.187 20 0 CDADMM CC(C)(C)O[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001589197785 1173128236 /nfs/dbraw/zinc/12/82/36/1173128236.db2.gz LXRMGUUHFGDCOY-KYZUINATSA-N -1 1 289.343 1.415 20 0 CDADMM CC(C)(C)O[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001589197785 1173128242 /nfs/dbraw/zinc/12/82/42/1173128242.db2.gz LXRMGUUHFGDCOY-KYZUINATSA-N -1 1 289.343 1.415 20 0 CDADMM CC(C)(C)SCn1cc(-c2nn[n-]n2)ccc1=O ZINC001589208854 1173129185 /nfs/dbraw/zinc/12/91/85/1173129185.db2.gz DKTISNBBCPRJDC-UHFFFAOYSA-N -1 1 265.342 1.518 20 0 CDADMM C[C@@H](C1CC1)N(C(=O)c1coc(-c2nnn[n-]2)c1)C1CC1 ZINC001589787496 1173182148 /nfs/dbraw/zinc/18/21/48/1173182148.db2.gz SBXXBXBQTORMMZ-QMMMGPOBSA-N -1 1 287.323 1.863 20 0 CDADMM C[C@@H](C1CC1)N(C(=O)c1coc(-c2nn[n-]n2)c1)C1CC1 ZINC001589787496 1173182149 /nfs/dbraw/zinc/18/21/49/1173182149.db2.gz SBXXBXBQTORMMZ-QMMMGPOBSA-N -1 1 287.323 1.863 20 0 CDADMM C[C@H](C1CC1)n1cc(Nc2ncncc2-c2nn[n-]n2)cn1 ZINC001589788541 1173182156 /nfs/dbraw/zinc/18/21/56/1173182156.db2.gz YAYKEGHVYBXFAS-MRVPVSSYSA-N -1 1 297.326 1.568 20 0 CDADMM C[C@H](CC1CCCC1)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001589801111 1173183755 /nfs/dbraw/zinc/18/37/55/1173183755.db2.gz IYHCSDVNTRXNHK-MRVPVSSYSA-N -1 1 289.343 1.745 20 0 CDADMM C[C@H](Cc1cnn(C)c1)Nc1cccnc1-c1nnn[n-]1 ZINC001589904324 1173200789 /nfs/dbraw/zinc/20/07/89/1173200789.db2.gz MHQHYNGYYQLPQK-SECBINFHSA-N -1 1 284.327 1.038 20 0 CDADMM C[C@H](Cc1cnn(C)c1)Nc1cccnc1-c1nn[n-]n1 ZINC001589904324 1173200792 /nfs/dbraw/zinc/20/07/92/1173200792.db2.gz MHQHYNGYYQLPQK-SECBINFHSA-N -1 1 284.327 1.038 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)C1CCOCC1 ZINC001589944669 1173206770 /nfs/dbraw/zinc/20/67/70/1173206770.db2.gz RBRHSVQNIOSVBF-MRVPVSSYSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)C1CCOCC1 ZINC001589944669 1173206774 /nfs/dbraw/zinc/20/67/74/1173206774.db2.gz RBRHSVQNIOSVBF-MRVPVSSYSA-N -1 1 291.311 1.005 20 0 CDADMM CC1(C)C[C@H](Sc2cc(-c3nnn[n-]3)ncn2)CO1 ZINC001590084808 1173251272 /nfs/dbraw/zinc/25/12/72/1173251272.db2.gz JBTOCFNALFNYQR-ZETCQYMHSA-N -1 1 278.341 1.316 20 0 CDADMM CC1(C)C[C@H](Sc2cc(-c3nn[n-]n3)ncn2)CO1 ZINC001590084808 1173251277 /nfs/dbraw/zinc/25/12/77/1173251277.db2.gz JBTOCFNALFNYQR-ZETCQYMHSA-N -1 1 278.341 1.316 20 0 CDADMM CC1(CC(F)F)CN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590123584 1173265092 /nfs/dbraw/zinc/26/50/92/1173265092.db2.gz ORTJCVJAMRZIPU-UHFFFAOYSA-N -1 1 281.270 1.138 20 0 CDADMM CC1(CC(F)F)CN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590123584 1173265097 /nfs/dbraw/zinc/26/50/97/1173265097.db2.gz ORTJCVJAMRZIPU-UHFFFAOYSA-N -1 1 281.270 1.138 20 0 CDADMM C[C@@]1(COC(=O)c2cccc(-c3nnn[n-]3)n2)CC1(F)F ZINC001590137437 1173269174 /nfs/dbraw/zinc/26/91/74/1173269174.db2.gz YRCWPWYJTZNYBF-NSHDSACASA-N -1 1 295.249 1.464 20 0 CDADMM C[C@@]1(COC(=O)c2cccc(-c3nn[n-]n3)n2)CC1(F)F ZINC001590137437 1173269181 /nfs/dbraw/zinc/26/91/81/1173269181.db2.gz YRCWPWYJTZNYBF-NSHDSACASA-N -1 1 295.249 1.464 20 0 CDADMM C[C@]1(c2ccccc2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001590152221 1173274956 /nfs/dbraw/zinc/27/49/56/1173274956.db2.gz SPSSCHRMSLTUSD-IUODEOHRSA-N -1 1 293.334 1.799 20 0 CDADMM C[C@]1(c2ccccc2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001590152221 1173274960 /nfs/dbraw/zinc/27/49/60/1173274960.db2.gz SPSSCHRMSLTUSD-IUODEOHRSA-N -1 1 293.334 1.799 20 0 CDADMM C[C@H]1CC(F)(F)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001590191546 1173286449 /nfs/dbraw/zinc/28/64/49/1173286449.db2.gz GKFUSUCVHAGKGC-ZETCQYMHSA-N -1 1 281.270 1.281 20 0 CDADMM C[C@H]1CC(F)(F)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001590191546 1173286453 /nfs/dbraw/zinc/28/64/53/1173286453.db2.gz GKFUSUCVHAGKGC-ZETCQYMHSA-N -1 1 281.270 1.281 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590222095 1173302009 /nfs/dbraw/zinc/30/20/09/1173302009.db2.gz FSDDUWSJNYZUCD-ZJUUUORDSA-N -1 1 286.339 1.661 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590222095 1173302016 /nfs/dbraw/zinc/30/20/16/1173302016.db2.gz FSDDUWSJNYZUCD-ZJUUUORDSA-N -1 1 286.339 1.661 20 0 CDADMM C[C@H]1C[C@H]1COC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590223146 1173303000 /nfs/dbraw/zinc/30/30/00/1173303000.db2.gz ZNOVLPRGECUXMR-WPRPVWTQSA-N -1 1 273.296 1.003 20 0 CDADMM C[C@H]1C[C@H]1COC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590223146 1173303008 /nfs/dbraw/zinc/30/30/08/1173303008.db2.gz ZNOVLPRGECUXMR-WPRPVWTQSA-N -1 1 273.296 1.003 20 0 CDADMM C[C@@H]1CCC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)o2)O1 ZINC001590243697 1173312900 /nfs/dbraw/zinc/31/29/00/1173312900.db2.gz PRUMIUSAPROIOW-RKDXNWHRSA-N -1 1 291.311 1.147 20 0 CDADMM C[C@@H]1CCC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)o2)O1 ZINC001590243697 1173312907 /nfs/dbraw/zinc/31/29/07/1173312907.db2.gz PRUMIUSAPROIOW-RKDXNWHRSA-N -1 1 291.311 1.147 20 0 CDADMM C[C@@H]1CCCC[C@@H]1Cn1cccc(-c2nn[n-]n2)c1=O ZINC001590255248 1173324846 /nfs/dbraw/zinc/32/48/46/1173324846.db2.gz ZYWRYJSLQAQRBQ-GHMZBOCLSA-N -1 1 273.340 1.855 20 0 CDADMM C[C@H]1CN(C(=O)c2csc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001590300452 1173341922 /nfs/dbraw/zinc/34/19/22/1173341922.db2.gz AOBALNODCWOBGL-OCAPTIKFSA-N -1 1 277.353 1.656 20 0 CDADMM C[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1c1ccccc1 ZINC001590315491 1173352526 /nfs/dbraw/zinc/35/25/26/1173352526.db2.gz MSEPJQQVYCSHOV-GXFFZTMASA-N -1 1 293.334 1.854 20 0 CDADMM CCC(=O)CCCOC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590359772 1173373028 /nfs/dbraw/zinc/37/30/28/1173373028.db2.gz NKTYVLKWMHLJNL-UHFFFAOYSA-N -1 1 289.295 1.178 20 0 CDADMM CCC(=O)CCCOC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590359772 1173373039 /nfs/dbraw/zinc/37/30/39/1173373039.db2.gz NKTYVLKWMHLJNL-UHFFFAOYSA-N -1 1 289.295 1.178 20 0 CDADMM CC[C@@](C)(COC(=O)c1sccc1-c1nn[n-]n1)OC ZINC001590382010 1173384305 /nfs/dbraw/zinc/38/43/05/1173384305.db2.gz JZUACSVFFJGFOA-LBPRGKRZSA-N -1 1 296.352 1.900 20 0 CDADMM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(C)(C)O ZINC001590459401 1173417328 /nfs/dbraw/zinc/41/73/28/1173417328.db2.gz IJBPOPMPYRWSBY-SECBINFHSA-N -1 1 295.368 1.208 20 0 CDADMM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(C)(C)O ZINC001590459401 1173417344 /nfs/dbraw/zinc/41/73/44/1173417344.db2.gz IJBPOPMPYRWSBY-SECBINFHSA-N -1 1 295.368 1.208 20 0 CDADMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(C)(C)O ZINC001590459402 1173417635 /nfs/dbraw/zinc/41/76/35/1173417635.db2.gz IJBPOPMPYRWSBY-VIFPVBQESA-N -1 1 295.368 1.208 20 0 CDADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(C)(C)O ZINC001590459402 1173417638 /nfs/dbraw/zinc/41/76/38/1173417638.db2.gz IJBPOPMPYRWSBY-VIFPVBQESA-N -1 1 295.368 1.208 20 0 CDADMM CC[C@H](Sc1cccnc1-c1nnn[n-]1)C(=O)OC ZINC001590482298 1173430603 /nfs/dbraw/zinc/43/06/03/1173430603.db2.gz DYQAMYWXJGSJTO-ZETCQYMHSA-N -1 1 279.325 1.305 20 0 CDADMM CC[C@H](Sc1cccnc1-c1nn[n-]n1)C(=O)OC ZINC001590482298 1173430608 /nfs/dbraw/zinc/43/06/08/1173430608.db2.gz DYQAMYWXJGSJTO-ZETCQYMHSA-N -1 1 279.325 1.305 20 0 CDADMM CCC1(C)CN(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001590490985 1173434208 /nfs/dbraw/zinc/43/42/08/1173434208.db2.gz XAKZQLGHJNRBBS-UHFFFAOYSA-N -1 1 264.358 1.555 20 0 CDADMM CCC1(C)CN(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001590490985 1173434211 /nfs/dbraw/zinc/43/42/11/1173434211.db2.gz XAKZQLGHJNRBBS-UHFFFAOYSA-N -1 1 264.358 1.555 20 0 CDADMM CC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001590515222 1173446330 /nfs/dbraw/zinc/44/63/30/1173446330.db2.gz ZKOSRYLGBVFEGY-DTWKUNHWSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001590515222 1173446333 /nfs/dbraw/zinc/44/63/33/1173446333.db2.gz ZKOSRYLGBVFEGY-DTWKUNHWSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@H]1COCCN1C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590526445 1173451397 /nfs/dbraw/zinc/45/13/97/1173451397.db2.gz PWAWFEPPZUEISO-VIFPVBQESA-N -1 1 291.311 1.019 20 0 CDADMM CC[C@H]1COCCN1C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590526445 1173451402 /nfs/dbraw/zinc/45/14/02/1173451402.db2.gz PWAWFEPPZUEISO-VIFPVBQESA-N -1 1 291.311 1.019 20 0 CDADMM CCC[C@@H](CC)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001590554266 1173459587 /nfs/dbraw/zinc/45/95/87/1173459587.db2.gz SLMWCFDAHKGSCK-LLVKDONJSA-N -1 1 288.355 1.704 20 0 CDADMM CCC[C@@H](CC)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001590554266 1173459602 /nfs/dbraw/zinc/45/96/02/1173459602.db2.gz SLMWCFDAHKGSCK-LLVKDONJSA-N -1 1 288.355 1.704 20 0 CDADMM CCC[C@@H]1CN(c2cccnc2-c2nnn[n-]2)CCO1 ZINC001590568871 1173465682 /nfs/dbraw/zinc/46/56/82/1173465682.db2.gz JWKDOGYWVOCKRJ-SNVBAGLBSA-N -1 1 274.328 1.267 20 0 CDADMM CCC[C@@H]1CN(c2cccnc2-c2nn[n-]n2)CCO1 ZINC001590568871 1173465689 /nfs/dbraw/zinc/46/56/89/1173465689.db2.gz JWKDOGYWVOCKRJ-SNVBAGLBSA-N -1 1 274.328 1.267 20 0 CDADMM CCCCOCCn1cc(C)cc(-c2nn[n-]n2)c1=O ZINC001590613206 1173474421 /nfs/dbraw/zinc/47/44/21/1173474421.db2.gz PCFHRQSIPCAMGB-UHFFFAOYSA-N -1 1 277.328 1.154 20 0 CDADMM CCN(CC1CCC1)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590689947 1173492390 /nfs/dbraw/zinc/49/23/90/1173492390.db2.gz CMBLBGJZBRRAQQ-UHFFFAOYSA-N -1 1 275.312 1.722 20 0 CDADMM CCN(CC1CCC1)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590689947 1173492399 /nfs/dbraw/zinc/49/23/99/1173492399.db2.gz CMBLBGJZBRRAQQ-UHFFFAOYSA-N -1 1 275.312 1.722 20 0 CDADMM CCN(CCSC)c1ccc(C)nc1-c1nnn[n-]1 ZINC001590719068 1173500508 /nfs/dbraw/zinc/50/05/08/1173500508.db2.gz YLNCOWQDOOLPNY-UHFFFAOYSA-N -1 1 278.385 1.759 20 0 CDADMM CCN(CCSC)c1ccc(C)nc1-c1nn[n-]n1 ZINC001590719068 1173500513 /nfs/dbraw/zinc/50/05/13/1173500513.db2.gz YLNCOWQDOOLPNY-UHFFFAOYSA-N -1 1 278.385 1.759 20 0 CDADMM CCOC1CC(Cn2c(C)c(C)nc2-c2nnn[n-]2)C1 ZINC001590788907 1173509251 /nfs/dbraw/zinc/50/92/51/1173509251.db2.gz VKDPKHUJCWYFCI-UHFFFAOYSA-N -1 1 276.344 1.495 20 0 CDADMM CCOC1CC(Cn2c(C)c(C)nc2-c2nn[n-]n2)C1 ZINC001590788907 1173509255 /nfs/dbraw/zinc/50/92/55/1173509255.db2.gz VKDPKHUJCWYFCI-UHFFFAOYSA-N -1 1 276.344 1.495 20 0 CDADMM CCON(CC)C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590818418 1173522569 /nfs/dbraw/zinc/52/25/69/1173522569.db2.gz ZRMASICKHNLXGZ-UHFFFAOYSA-N -1 1 279.275 1.419 20 0 CDADMM CCON(CC)C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590818418 1173522576 /nfs/dbraw/zinc/52/25/76/1173522576.db2.gz ZRMASICKHNLXGZ-UHFFFAOYSA-N -1 1 279.275 1.419 20 0 CDADMM CCc1ccccc1Cn1cc(C)cc(-c2nn[n-]n2)c1=O ZINC001590897593 1173535461 /nfs/dbraw/zinc/53/54/61/1173535461.db2.gz JEDGZSWCJFTUGR-UHFFFAOYSA-N -1 1 295.346 1.948 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C2CCC2)n1 ZINC001590903736 1173540040 /nfs/dbraw/zinc/54/00/40/1173540040.db2.gz LSHWZMRHMPIFJU-UHFFFAOYSA-N -1 1 259.317 1.208 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C2CCC2)n1 ZINC001590903736 1173540045 /nfs/dbraw/zinc/54/00/45/1173540045.db2.gz LSHWZMRHMPIFJU-UHFFFAOYSA-N -1 1 259.317 1.208 20 0 CDADMM CCc1ncc(CNc2ccc(C)c(-c3nnn[n-]3)n2)o1 ZINC001590924369 1173543209 /nfs/dbraw/zinc/54/32/09/1173543209.db2.gz BCSXWRKAUUVBRG-UHFFFAOYSA-N -1 1 285.311 1.733 20 0 CDADMM CCc1ncc(CNc2ccc(C)c(-c3nn[n-]n3)n2)o1 ZINC001590924369 1173543214 /nfs/dbraw/zinc/54/32/14/1173543214.db2.gz BCSXWRKAUUVBRG-UHFFFAOYSA-N -1 1 285.311 1.733 20 0 CDADMM CCc1nnc(NCc2csc(-c3nn[n-]n3)c2)s1 ZINC001590933017 1173546134 /nfs/dbraw/zinc/54/61/34/1173546134.db2.gz WXRYATZNBVENHU-UHFFFAOYSA-N -1 1 293.381 1.954 20 0 CDADMM CN(CCCF)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC001591066613 1173571902 /nfs/dbraw/zinc/57/19/02/1173571902.db2.gz LPMATOFZGVYIIR-UHFFFAOYSA-N -1 1 287.302 1.606 20 0 CDADMM CN(CCCF)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC001591066613 1173571905 /nfs/dbraw/zinc/57/19/05/1173571905.db2.gz LPMATOFZGVYIIR-UHFFFAOYSA-N -1 1 287.302 1.606 20 0 CDADMM CO[C@@H]1CC[C@@H]1N(C)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591352749 1173626333 /nfs/dbraw/zinc/62/63/33/1173626333.db2.gz AFJONRNPBICAIZ-DTWKUNHWSA-N -1 1 293.352 1.178 20 0 CDADMM CO[C@H]1C[C@H](CNc2cc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001591474216 1173658081 /nfs/dbraw/zinc/65/80/81/1173658081.db2.gz HGBLLEZPWKOJAR-MGCOHNPYSA-N -1 1 274.328 1.407 20 0 CDADMM CO[C@H]1C[C@H](CNc2cc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001591474216 1173658083 /nfs/dbraw/zinc/65/80/83/1173658083.db2.gz HGBLLEZPWKOJAR-MGCOHNPYSA-N -1 1 274.328 1.407 20 0 CDADMM CO[C@H]1C[C@H](OC(=O)c2csc(-c3nnn[n-]3)c2)C1 ZINC001591473570 1173659371 /nfs/dbraw/zinc/65/93/71/1173659371.db2.gz JHOQKQJKCGRSHF-ZKCHVHJHSA-N -1 1 280.309 1.262 20 0 CDADMM CO[C@H]1C[C@H](OC(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001591473570 1173659374 /nfs/dbraw/zinc/65/93/74/1173659374.db2.gz JHOQKQJKCGRSHF-ZKCHVHJHSA-N -1 1 280.309 1.262 20 0 CDADMM CS[C@@H](C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001591687056 1173678355 /nfs/dbraw/zinc/67/83/55/1173678355.db2.gz UNKODUKMWBTYFX-LURJTMIESA-N -1 1 283.382 1.296 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCCC[C@@H]2C)n1 ZINC001591887975 1173737951 /nfs/dbraw/zinc/73/79/51/1173737951.db2.gz INUOERJGMIIWRK-JTQLQIEISA-N -1 1 273.344 1.734 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCCO2)c1 ZINC001591884199 1173738511 /nfs/dbraw/zinc/73/85/11/1173738511.db2.gz DAYOLZYFKRSTDA-JTQLQIEISA-N -1 1 274.328 1.185 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCCO2)c1 ZINC001591884199 1173738515 /nfs/dbraw/zinc/73/85/15/1173738515.db2.gz DAYOLZYFKRSTDA-JTQLQIEISA-N -1 1 274.328 1.185 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](C)[C@H](F)C2)n1 ZINC001591884963 1173739291 /nfs/dbraw/zinc/73/92/91/1173739291.db2.gz ILHPFKNNLDFZGB-IONNQARKSA-N -1 1 277.307 1.149 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](C)[C@H](F)C2)n1 ZINC001591884963 1173739295 /nfs/dbraw/zinc/73/92/95/1173739295.db2.gz ILHPFKNNLDFZGB-IONNQARKSA-N -1 1 277.307 1.149 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](n3cccn3)C2)c1 ZINC001591886891 1173739552 /nfs/dbraw/zinc/73/95/52/1173739552.db2.gz MVJZEHMNUNFTAX-LLVKDONJSA-N -1 1 296.338 1.218 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](n3cccn3)C2)c1 ZINC001591886891 1173739556 /nfs/dbraw/zinc/73/95/56/1173739556.db2.gz MVJZEHMNUNFTAX-LLVKDONJSA-N -1 1 296.338 1.218 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCS[C@H](C)C2)n1 ZINC001591893668 1173742831 /nfs/dbraw/zinc/74/28/31/1173742831.db2.gz OCGBFARNLYSDML-BDAKNGLRSA-N -1 1 291.384 1.661 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCS[C@H](C)C2)n1 ZINC001591893668 1173742835 /nfs/dbraw/zinc/74/28/35/1173742835.db2.gz OCGBFARNLYSDML-BDAKNGLRSA-N -1 1 291.384 1.661 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2Cc3ccccc32)n1 ZINC001591897061 1173745133 /nfs/dbraw/zinc/74/51/33/1173745133.db2.gz XBQWJMNNPCNCOE-NSHDSACASA-N -1 1 293.334 1.717 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2Cc3ccccc32)n1 ZINC001591897061 1173745142 /nfs/dbraw/zinc/74/51/42/1173745142.db2.gz XBQWJMNNPCNCOE-NSHDSACASA-N -1 1 293.334 1.717 20 0 CDADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)NC(C)C ZINC001591990112 1173767126 /nfs/dbraw/zinc/76/71/26/1173767126.db2.gz LQAUNTKUVRYXOJ-UHFFFAOYSA-N -1 1 299.331 1.001 20 0 CDADMM Cc1cc(N2CCOC[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001592008655 1173771540 /nfs/dbraw/zinc/77/15/40/1173771540.db2.gz LWDOMIOZMKIUFT-VIFPVBQESA-N -1 1 274.328 1.043 20 0 CDADMM Cc1cc(N2CCOC[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001592008655 1173771542 /nfs/dbraw/zinc/77/15/42/1173771542.db2.gz LWDOMIOZMKIUFT-VIFPVBQESA-N -1 1 274.328 1.043 20 0 CDADMM Cc1cc(N2CC[C@@H]3C[C@@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001592005112 1173772392 /nfs/dbraw/zinc/77/23/92/1173772392.db2.gz RTFLZYMHGYFCSS-NXEZZACHSA-N -1 1 256.313 1.416 20 0 CDADMM Cc1cc(N2CC[C@@H]3C[C@@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001592005112 1173772396 /nfs/dbraw/zinc/77/23/96/1173772396.db2.gz RTFLZYMHGYFCSS-NXEZZACHSA-N -1 1 256.313 1.416 20 0 CDADMM Cc1cnc(CNc2cc(C)cc(-c3nnn[n-]3)n2)o1 ZINC001592053480 1173789670 /nfs/dbraw/zinc/78/96/70/1173789670.db2.gz DXLMMRWDNRIFTC-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1cnc(CNc2cc(C)cc(-c3nn[n-]n3)n2)o1 ZINC001592053480 1173789676 /nfs/dbraw/zinc/78/96/76/1173789676.db2.gz DXLMMRWDNRIFTC-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC[C@@](C)(CO)C1 ZINC001592109937 1173801091 /nfs/dbraw/zinc/80/10/91/1173801091.db2.gz IQPACVFKAOAKBN-CQSZACIVSA-N -1 1 288.355 1.169 20 0 CDADMM Cc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001592182610 1173826247 /nfs/dbraw/zinc/82/62/47/1173826247.db2.gz XKHCTPYIVFRNBA-UHFFFAOYSA-N -1 1 295.306 1.146 20 0 CDADMM Cc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001592182610 1173826257 /nfs/dbraw/zinc/82/62/57/1173826257.db2.gz XKHCTPYIVFRNBA-UHFFFAOYSA-N -1 1 295.306 1.146 20 0 CDADMM Cc1ccc2nc(CNc3n[nH]cc3-c3nnn[n-]3)cn2c1 ZINC001592207855 1173832365 /nfs/dbraw/zinc/83/23/65/1173832365.db2.gz OLRUWEXSJQOACZ-UHFFFAOYSA-N -1 1 295.310 1.158 20 0 CDADMM Cc1ccc2nc(CNc3n[nH]cc3-c3nn[n-]n3)cn2c1 ZINC001592207855 1173832371 /nfs/dbraw/zinc/83/23/71/1173832371.db2.gz OLRUWEXSJQOACZ-UHFFFAOYSA-N -1 1 295.310 1.158 20 0 CDADMM Cc1cccc(C)c1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592224303 1173833048 /nfs/dbraw/zinc/83/30/48/1173833048.db2.gz QCAWGSXOAZBPOJ-UHFFFAOYSA-N -1 1 283.295 1.459 20 0 CDADMM Cc1cccc(C)c1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592224303 1173833054 /nfs/dbraw/zinc/83/30/54/1173833054.db2.gz QCAWGSXOAZBPOJ-UHFFFAOYSA-N -1 1 283.295 1.459 20 0 CDADMM Cc1cccc(C)c1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001592223963 1173833612 /nfs/dbraw/zinc/83/36/12/1173833612.db2.gz HYEGROMZEVCRPI-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1cccc(C)c1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001592223963 1173833619 /nfs/dbraw/zinc/83/36/19/1173833619.db2.gz HYEGROMZEVCRPI-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccccc1C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001592256943 1173836629 /nfs/dbraw/zinc/83/66/29/1173836629.db2.gz PUMABULJTAXEBV-LLVKDONJSA-N -1 1 295.350 1.430 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1cccc(C)n1 ZINC001592230793 1173836775 /nfs/dbraw/zinc/83/67/75/1173836775.db2.gz MKUNPFLLTKXXOJ-UHFFFAOYSA-N -1 1 299.290 1.829 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1cccc(C)n1 ZINC001592230793 1173836777 /nfs/dbraw/zinc/83/67/77/1173836777.db2.gz MKUNPFLLTKXXOJ-UHFFFAOYSA-N -1 1 299.290 1.829 20 0 CDADMM Cc1ccnc(C)c1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001592272200 1173840549 /nfs/dbraw/zinc/84/05/49/1173840549.db2.gz URANIPDQPJWWTH-UHFFFAOYSA-N -1 1 295.306 1.526 20 0 CDADMM Cc1ccnc(C)c1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001592272200 1173840550 /nfs/dbraw/zinc/84/05/50/1173840550.db2.gz URANIPDQPJWWTH-UHFFFAOYSA-N -1 1 295.306 1.526 20 0 CDADMM Cc1ccoc1CNc1nccnc1-c1nnn[n-]1 ZINC001592283855 1173845973 /nfs/dbraw/zinc/84/59/73/1173845973.db2.gz MQYMHFDFCHFLJF-UHFFFAOYSA-N -1 1 257.257 1.170 20 0 CDADMM Cc1ccoc1CNc1nccnc1-c1nn[n-]n1 ZINC001592283855 1173845977 /nfs/dbraw/zinc/84/59/77/1173845977.db2.gz MQYMHFDFCHFLJF-UHFFFAOYSA-N -1 1 257.257 1.170 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@@H](C)C(C)C)c1-c1nn[n-]n1 ZINC001592327660 1173855213 /nfs/dbraw/zinc/85/52/13/1173855213.db2.gz LDCAAICVTGNLRD-LURJTMIESA-N -1 1 263.305 1.129 20 0 CDADMM Cc1nc(NC(=O)c2csc(-c3nn[n-]n3)c2)oc1C ZINC001592376936 1173874074 /nfs/dbraw/zinc/87/40/74/1173874074.db2.gz KKNRCSRFIHMDRZ-UHFFFAOYSA-N -1 1 290.308 1.785 20 0 CDADMM Cc1nnc(CNc2ccc(C)c(-c3nnn[n-]3)n2)s1 ZINC001592443002 1173890942 /nfs/dbraw/zinc/89/09/42/1173890942.db2.gz KNKGVJWEHXSQQK-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Cc1nnc(CNc2ccc(C)c(-c3nn[n-]n3)n2)s1 ZINC001592443002 1173890949 /nfs/dbraw/zinc/89/09/49/1173890949.db2.gz KNKGVJWEHXSQQK-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Clc1ccc(N2OC3CCC2CC3)nc1-c1nnn[n-]1 ZINC001592531989 1173913350 /nfs/dbraw/zinc/91/33/50/1173913350.db2.gz FQNCHFACJSSYLT-UHFFFAOYSA-N -1 1 292.730 1.978 20 0 CDADMM Clc1ccc(N2OC3CCC2CC3)nc1-c1nn[n-]n1 ZINC001592531989 1173913354 /nfs/dbraw/zinc/91/33/54/1173913354.db2.gz FQNCHFACJSSYLT-UHFFFAOYSA-N -1 1 292.730 1.978 20 0 CDADMM FC(F)(F)C1CN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001592616416 1173930950 /nfs/dbraw/zinc/93/09/50/1173930950.db2.gz XEHSDTWSUODNQA-UHFFFAOYSA-N -1 1 270.218 1.260 20 0 CDADMM FC(F)(F)C1CN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001592616416 1173930955 /nfs/dbraw/zinc/93/09/55/1173930955.db2.gz XEHSDTWSUODNQA-UHFFFAOYSA-N -1 1 270.218 1.260 20 0 CDADMM FC1(F)C[C@@]12CCCN(c1nccnc1-c1nnn[n-]1)C2 ZINC001592628763 1173935648 /nfs/dbraw/zinc/93/56/48/1173935648.db2.gz ALLGWJTYIASDQM-LLVKDONJSA-N -1 1 293.281 1.282 20 0 CDADMM FC1(F)C[C@@]12CCCN(c1nccnc1-c1nn[n-]n1)C2 ZINC001592628763 1173935659 /nfs/dbraw/zinc/93/56/59/1173935659.db2.gz ALLGWJTYIASDQM-LLVKDONJSA-N -1 1 293.281 1.282 20 0 CDADMM Fc1cccc(CCCNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001592654691 1173955619 /nfs/dbraw/zinc/95/56/19/1173955619.db2.gz LCMUACRVHIYHOB-UHFFFAOYSA-N -1 1 299.313 1.841 20 0 CDADMM Fc1cccc(CCCNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001592654691 1173955623 /nfs/dbraw/zinc/95/56/23/1173955623.db2.gz LCMUACRVHIYHOB-UHFFFAOYSA-N -1 1 299.313 1.841 20 0 CDADMM Fc1cccc2c1CN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001592661643 1173957165 /nfs/dbraw/zinc/95/71/65/1173957165.db2.gz WTJWHLUIQYEAAQ-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM O=C(N[C@@]12C[C@@H]1CCCC2)c1cccc(-c2nnn[n-]2)n1 ZINC001592962948 1174005256 /nfs/dbraw/zinc/00/52/56/1174005256.db2.gz MKHUKYLGFQEOTH-XPTSAGLGSA-N -1 1 284.323 1.324 20 0 CDADMM O=C(N[C@@]12C[C@@H]1CCCC2)c1cccc(-c2nn[n-]n2)n1 ZINC001592962948 1174005264 /nfs/dbraw/zinc/00/52/64/1174005264.db2.gz MKHUKYLGFQEOTH-XPTSAGLGSA-N -1 1 284.323 1.324 20 0 CDADMM O=C(N[C@@H]1C=CCCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001592965907 1174008988 /nfs/dbraw/zinc/00/89/88/1174008988.db2.gz QOVLBBQTJQSTNM-SECBINFHSA-N -1 1 270.296 1.100 20 0 CDADMM O=C(N[C@@H]1C=CCCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001592965907 1174008994 /nfs/dbraw/zinc/00/89/94/1174008994.db2.gz QOVLBBQTJQSTNM-SECBINFHSA-N -1 1 270.296 1.100 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@H]1Cc2ccccc21 ZINC001593243454 1174036513 /nfs/dbraw/zinc/03/65/13/1174036513.db2.gz MFTCXXYLMKCLMK-NSHDSACASA-N -1 1 292.302 1.540 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@H]1Cc2ccccc21 ZINC001593243454 1174036523 /nfs/dbraw/zinc/03/65/23/1174036523.db2.gz MFTCXXYLMKCLMK-NSHDSACASA-N -1 1 292.302 1.540 20 0 CDADMM O=C(Nc1ccc2c[nH]nc2c1)c1ccc(-c2nn[n-]n2)o1 ZINC001593239247 1174037035 /nfs/dbraw/zinc/03/70/35/1174037035.db2.gz QOFZQZWGJYASGN-UHFFFAOYSA-N -1 1 295.262 1.588 20 0 CDADMM O=C(OCC1CC(F)(F)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001593283803 1174052411 /nfs/dbraw/zinc/05/24/11/1174052411.db2.gz CRNVJDJOLYWWCO-UHFFFAOYSA-N -1 1 284.222 1.662 20 0 CDADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001593297381 1174056588 /nfs/dbraw/zinc/05/65/88/1174056588.db2.gz HSRLMHNWIVBUFL-IEBDPFPHSA-N -1 1 288.307 1.939 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001593297381 1174056592 /nfs/dbraw/zinc/05/65/92/1174056592.db2.gz HSRLMHNWIVBUFL-IEBDPFPHSA-N -1 1 288.307 1.939 20 0 CDADMM O=C(OCCc1ccoc1)c1sccc1-c1nn[n-]n1 ZINC001593292950 1174057086 /nfs/dbraw/zinc/05/70/86/1174057086.db2.gz OBQBBFUJDDJTNX-UHFFFAOYSA-N -1 1 290.304 1.921 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@H]1CC12CC2 ZINC001593301140 1174060137 /nfs/dbraw/zinc/06/01/37/1174060137.db2.gz CRTNSBPIARCXDK-SECBINFHSA-N -1 1 271.280 1.105 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@H]1CC12CC2 ZINC001593301140 1174060144 /nfs/dbraw/zinc/06/01/44/1174060144.db2.gz CRTNSBPIARCXDK-SECBINFHSA-N -1 1 271.280 1.105 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC=CC12CCCC2 ZINC001593348341 1174067777 /nfs/dbraw/zinc/06/77/77/1174067777.db2.gz TUZNBKLDAROASC-UHFFFAOYSA-N -1 1 296.334 1.587 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC=CC12CCCC2 ZINC001593348341 1174067783 /nfs/dbraw/zinc/06/77/83/1174067783.db2.gz TUZNBKLDAROASC-UHFFFAOYSA-N -1 1 296.334 1.587 20 0 CDADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC[C@@H]2C[C@@H]21 ZINC001593361933 1174071417 /nfs/dbraw/zinc/07/14/17/1174071417.db2.gz BXUHGGIILGREQG-APPZFPTMSA-N -1 1 275.337 1.553 20 0 CDADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCC[C@@H]2C[C@@H]21 ZINC001593361933 1174071421 /nfs/dbraw/zinc/07/14/21/1174071421.db2.gz BXUHGGIILGREQG-APPZFPTMSA-N -1 1 275.337 1.553 20 0 CDADMM O=C1CCCC12CCN(c1ccnc(-c3nnn[n-]3)c1)CC2 ZINC001593394000 1174075494 /nfs/dbraw/zinc/07/54/94/1174075494.db2.gz QJFXSZQWLOOXMM-UHFFFAOYSA-N -1 1 298.350 1.601 20 0 CDADMM O=C1CCCC12CCN(c1ccnc(-c3nn[n-]n3)c1)CC2 ZINC001593394000 1174075502 /nfs/dbraw/zinc/07/55/02/1174075502.db2.gz QJFXSZQWLOOXMM-UHFFFAOYSA-N -1 1 298.350 1.601 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ncn1C[C@H]1CC2CCC1CC2 ZINC001593493471 1174087384 /nfs/dbraw/zinc/08/73/84/1174087384.db2.gz IDSPPAPMPKAIFO-VQXHTEKXSA-N -1 1 286.339 1.250 20 0 CDADMM Oc1ccccc1Sc1ccc(-c2nnn[n-]2)nn1 ZINC001593542088 1174111517 /nfs/dbraw/zinc/11/15/17/1174111517.db2.gz XKPXPCDSGMFFHD-UHFFFAOYSA-N -1 1 272.293 1.514 20 0 CDADMM Oc1ccccc1Sc1ccc(-c2nn[n-]n2)nn1 ZINC001593542088 1174111518 /nfs/dbraw/zinc/11/15/18/1174111518.db2.gz XKPXPCDSGMFFHD-UHFFFAOYSA-N -1 1 272.293 1.514 20 0 CDADMM c1cc(N2C[C@@H]3CCCC[C@@H]32)nc(-c2nn[n-]n2)n1 ZINC001593559329 1174136247 /nfs/dbraw/zinc/13/62/47/1174136247.db2.gz WHSCTNFNCQDZDI-IUCAKERBSA-N -1 1 257.301 1.036 20 0 CDADMM c1ccc(COCCNc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001593573634 1174145143 /nfs/dbraw/zinc/14/51/43/1174145143.db2.gz DRAUNSRXMJJPFQ-UHFFFAOYSA-N -1 1 296.334 1.890 20 0 CDADMM c1ccc(COCCNc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001593573634 1174145152 /nfs/dbraw/zinc/14/51/52/1174145152.db2.gz DRAUNSRXMJJPFQ-UHFFFAOYSA-N -1 1 296.334 1.890 20 0 CDADMM c1cn(CCc2noc3ccccc23)c(-c2nnn[n-]2)n1 ZINC001593577576 1174146092 /nfs/dbraw/zinc/14/60/92/1174146092.db2.gz GJTNWZCLCIEZPU-UHFFFAOYSA-N -1 1 281.279 1.447 20 0 CDADMM c1cn(CCc2noc3ccccc23)c(-c2nn[n-]n2)n1 ZINC001593577576 1174146097 /nfs/dbraw/zinc/14/60/97/1174146097.db2.gz GJTNWZCLCIEZPU-UHFFFAOYSA-N -1 1 281.279 1.447 20 0 CDADMM c1cncc([C@@H]2CCCN2c2ncncc2-c2nn[n-]n2)c1 ZINC001593588025 1174154872 /nfs/dbraw/zinc/15/48/72/1174154872.db2.gz UEUUQWNVSNQIBD-LBPRGKRZSA-N -1 1 294.322 1.393 20 0 CDADMM c1coc([C@H]2CCN(c3ccnc(-c4nnn[n-]4)c3)C2)c1 ZINC001593589610 1174156112 /nfs/dbraw/zinc/15/61/12/1174156112.db2.gz HEHHFCCZONZPEB-JTQLQIEISA-N -1 1 282.307 1.849 20 0 CDADMM c1coc([C@H]2CCN(c3ccnc(-c4nn[n-]n4)c3)C2)c1 ZINC001593589610 1174156115 /nfs/dbraw/zinc/15/61/15/1174156115.db2.gz HEHHFCCZONZPEB-JTQLQIEISA-N -1 1 282.307 1.849 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NCC1CCCCC1 ZINC001593590262 1174157724 /nfs/dbraw/zinc/15/77/24/1174157724.db2.gz MJYIRBAYRMYYOK-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NCC1CCCCC1 ZINC001593590262 1174157730 /nfs/dbraw/zinc/15/77/30/1174157730.db2.gz MJYIRBAYRMYYOK-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM Cc1c(NC(=O)[C@@H](C)N(C)C)cccc1C(=O)[O-] ZINC001600045689 1174347387 /nfs/dbraw/zinc/34/73/87/1174347387.db2.gz RGQMPRJEFOKKIG-SECBINFHSA-N -1 1 250.298 1.582 20 0 CDADMM Cc1cc(CN2CCO[C@H](C)CC2)[nH]c1C(=O)[O-] ZINC001600195580 1174400560 /nfs/dbraw/zinc/40/05/60/1174400560.db2.gz ZFZJGVNYXRKZRK-SNVBAGLBSA-N -1 1 252.314 1.632 20 0 CDADMM Cc1cc(NC(=O)c2cnc3nc[nH]c3c2)c(C(=O)[O-])[nH]1 ZINC001600276977 1174434904 /nfs/dbraw/zinc/43/49/04/1174434904.db2.gz ANQMWYCRHAGVOJ-UHFFFAOYSA-N -1 1 285.263 1.545 20 0 CDADMM Cc1ccc([C@@H](C)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c(C)n1 ZINC001600371320 1174456416 /nfs/dbraw/zinc/45/64/16/1174456416.db2.gz AIYKUBATKXLDPO-WOPDTQHZSA-N -1 1 293.367 1.327 20 0 CDADMM Cc1ccc(NC(=O)CN2CC[C@H](C)C2)cc1C(=O)[O-] ZINC001600447542 1174478091 /nfs/dbraw/zinc/47/80/91/1174478091.db2.gz LKCLMHQLBTZAPE-JTQLQIEISA-N -1 1 276.336 1.974 20 0 CDADMM Cc1ccc2nc(NC(=O)c3cc(C(=O)[O-])on3)[nH]c2c1 ZINC001600488442 1174489003 /nfs/dbraw/zinc/48/90/03/1174489003.db2.gz GUABQYXGEPFGFR-UHFFFAOYSA-N -1 1 286.247 1.810 20 0 CDADMM Cc1ccc2nc(CN[C@]3(CC(=O)[O-])CCOC3)cn2c1 ZINC001600503594 1174491396 /nfs/dbraw/zinc/49/13/96/1174491396.db2.gz NIUWARBXNRMUES-HNNXBMFYSA-N -1 1 289.335 1.366 20 0 CDADMM Cc1ccccc1[C@@H](N)C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001600571048 1174511251 /nfs/dbraw/zinc/51/12/51/1174511251.db2.gz DVWFJAUTMZXOKV-XHJNMGKDSA-N -1 1 288.347 1.220 20 0 CDADMM Cc1ccnc(CN2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC001600599770 1174522339 /nfs/dbraw/zinc/52/23/39/1174522339.db2.gz DIALOZWMJKUUKY-GFCCVEGCSA-N -1 1 287.323 1.127 20 0 CDADMM Cc1cncc([C@@H](C)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC001600625789 1174538065 /nfs/dbraw/zinc/53/80/65/1174538065.db2.gz PAAUNPSHQSVNFN-VWYCJHECSA-N -1 1 279.340 1.018 20 0 CDADMM Cc1coc(C)c1C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001600639178 1174545891 /nfs/dbraw/zinc/54/58/91/1174545891.db2.gz XSABQPSYTMFLDM-NSHDSACASA-N -1 1 294.351 1.517 20 0 CDADMM Cc1nc(C)c(C(=O)Nc2cc(C(=O)[O-])n(C)c2)[nH]1 ZINC001600685275 1174562132 /nfs/dbraw/zinc/56/21/32/1174562132.db2.gz YZVGTLJVLITJKD-UHFFFAOYSA-N -1 1 262.269 1.316 20 0 CDADMM Cc1nc([C@@H](C)NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)n[nH]1 ZINC001600793478 1174613186 /nfs/dbraw/zinc/61/31/86/1174613186.db2.gz YZWXMWAMOVYHLW-SZEHBUNVSA-N -1 1 280.328 1.181 20 0 CDADMM Cc1oc(CN(C)C[C@@H]2CCc3ncnn32)cc1C(=O)[O-] ZINC001600842322 1174637791 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/nfs/dbraw/zinc/15/16/44/998151644.db2.gz PVNVQLPFRJDJMJ-ONGXEEELSA-N -1 1 286.278 1.488 20 0 CDADMM Cc1[nH]n(Cc2cc(F)ccc2F)c(=O)c1CC(=O)[O-] ZINC001594115093 998246722 /nfs/dbraw/zinc/24/67/22/998246722.db2.gz YNITUCJHOJUFQG-SNVBAGLBSA-N -1 1 282.246 1.774 20 0 CDADMM C[C@@H]1[C@@H](C)N(C(=O)Nc2ccc(C(=O)[O-])cn2)CCN1C ZINC001594176684 998680358 /nfs/dbraw/zinc/68/03/58/998680358.db2.gz KOOYNGHQYFXGQH-NXEZZACHSA-N -1 1 292.339 1.336 20 0 CDADMM C[C@@H]1CCCC[C@@H]1C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001594362247 999369646 /nfs/dbraw/zinc/36/96/46/999369646.db2.gz XOGBQGCTSWWTEW-RDBSUJKOSA-N -1 1 296.411 1.820 20 0 CDADMM C[C@H]1CCCCN1CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001594374360 999410101 /nfs/dbraw/zinc/41/01/01/999410101.db2.gz LVSAEOQMZMQXKT-LBPRGKRZSA-N -1 1 282.384 1.765 20 0 CDADMM C[C@H]1CCN(CC(=O)NCc2ccc(C(=O)[O-])cc2F)C1 ZINC001594415115 999553626 /nfs/dbraw/zinc/55/36/26/999553626.db2.gz WHVAKNYZDOFJFI-JTQLQIEISA-N -1 1 294.326 1.482 20 0 CDADMM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001594448343 999644400 /nfs/dbraw/zinc/64/44/00/999644400.db2.gz RNVZYZOLABWEHP-ZDSQKVDBSA-N -1 1 289.335 1.365 20 0 CDADMM C[C@H]1CN(C(=O)[C@@H]2CC23CCC3)CCN1CCC(=O)[O-] ZINC001594463026 999676907 /nfs/dbraw/zinc/67/69/07/999676907.db2.gz RGSLKMINOALHDN-RYUDHWBXSA-N -1 1 280.368 1.184 20 0 CDADMM CCCN(CC(=O)N(C)C)Cc1ccc(C(=O)[O-])c(C)c1 ZINC001605306251 1163519937 /nfs/dbraw/zinc/51/99/37/1163519937.db2.gz DYPQKLGTTBVWGT-UHFFFAOYSA-N -1 1 292.379 1.993 20 0 CDADMM CS[C@H](C)[C@H](C)OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001605365441 1163535620 /nfs/dbraw/zinc/53/56/20/1163535620.db2.gz IEPVIVBHKVJGFJ-JGVFFNPUSA-N -1 1 293.352 1.559 20 0 CDADMM CS[C@H](C)[C@H](C)OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001605365441 1163535623 /nfs/dbraw/zinc/53/56/23/1163535623.db2.gz IEPVIVBHKVJGFJ-JGVFFNPUSA-N -1 1 293.352 1.559 20 0 CDADMM CS[C@H]1CC[C@H](Nc2cccnc2-c2nnn[n-]2)C1 ZINC001605371840 1163536644 /nfs/dbraw/zinc/53/66/44/1163536644.db2.gz OIJQZDCUGNFAJM-IUCAKERBSA-N -1 1 276.369 1.958 20 0 CDADMM CS[C@H]1CC[C@H](Nc2cccnc2-c2nn[n-]n2)C1 ZINC001605371840 1163536652 /nfs/dbraw/zinc/53/66/52/1163536652.db2.gz OIJQZDCUGNFAJM-IUCAKERBSA-N -1 1 276.369 1.958 20 0 CDADMM C[C@H]1CCCN(C(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001605442736 1163564589 /nfs/dbraw/zinc/56/45/89/1163564589.db2.gz OOQCPDKGFOXJAA-QMMMGPOBSA-N -1 1 277.353 1.800 20 0 CDADMM CCN1CCCC[C@H]1C(=O)NCc1cc(C(=O)[O-])co1 ZINC001605477723 1163580225 /nfs/dbraw/zinc/58/02/25/1163580225.db2.gz PIJIEWSBNBBTID-LBPRGKRZSA-N -1 1 280.324 1.468 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@@H](C)CC2)c1 ZINC001605563035 1163610598 /nfs/dbraw/zinc/61/05/98/1163610598.db2.gz PJKXCFSHBVEOEL-JTQLQIEISA-N -1 1 274.328 1.185 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@@H](C)CC2)c1 ZINC001605563035 1163610600 /nfs/dbraw/zinc/61/06/00/1163610600.db2.gz PJKXCFSHBVEOEL-JTQLQIEISA-N -1 1 274.328 1.185 20 0 CDADMM CCc1oc2ccccc2c1CNCC(=O)NCC(=O)[O-] ZINC001605891811 1163708353 /nfs/dbraw/zinc/70/83/53/1163708353.db2.gz BBHZYYZVKAVGRK-UHFFFAOYSA-N -1 1 290.319 1.286 20 0 CDADMM CCc1oc(CNCc2cc(C)[nH]n2)cc1C(=O)[O-] ZINC001605890746 1163709104 /nfs/dbraw/zinc/70/91/04/1163709104.db2.gz PVZAGCBDFXLHLY-UHFFFAOYSA-N -1 1 263.297 1.862 20 0 CDADMM Cc1nsc(N2[C@H](C)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001606142389 1163784919 /nfs/dbraw/zinc/78/49/19/1163784919.db2.gz FDUKZMXDNDDQJJ-OLQVQODUSA-N -1 1 250.331 1.619 20 0 CDADMM Cc1nsc(N2CC[C@@H]2C(F)F)c1-c1nn[n-]n1 ZINC001606145189 1163786308 /nfs/dbraw/zinc/78/63/08/1163786308.db2.gz YUISPAFQNZGVCE-RXMQYKEDSA-N -1 1 272.284 1.475 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C1(F)CCCC1 ZINC001593244538 1174040004 /nfs/dbraw/zinc/04/00/04/1174040004.db2.gz ZTONQPFWEDKHJN-UHFFFAOYSA-N -1 1 276.275 1.483 20 0 CDADMM O=C(OC/C=C/Cl)c1sccc1-c1nn[n-]n1 ZINC001593286942 1174050108 /nfs/dbraw/zinc/05/01/08/1174050108.db2.gz QOIVBKVUKKQIHK-HNQUOIGGSA-N -1 1 270.701 1.838 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)C1CCCC1 ZINC001593301625 1174060327 /nfs/dbraw/zinc/06/03/27/1174060327.db2.gz MDPRKGZPKXNHNB-UHFFFAOYSA-N -1 1 273.296 1.495 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)C1CCCC1 ZINC001593301625 1174060332 /nfs/dbraw/zinc/06/03/32/1174060332.db2.gz MDPRKGZPKXNHNB-UHFFFAOYSA-N -1 1 273.296 1.495 20 0 CDADMM C[C@H](OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1nnc[nH]1 ZINC001604396339 1163175795 /nfs/dbraw/zinc/17/57/95/1163175795.db2.gz DZQPZYMPTAEIKT-DJLDLDEBSA-N -1 1 267.285 1.300 20 0 CDADMM O[C@H]1CCC[C@@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001593538678 1174110729 /nfs/dbraw/zinc/11/07/29/1174110729.db2.gz ZVEASGWGXDJPOF-YUMQZZPRSA-N -1 1 280.719 1.240 20 0 CDADMM O[C@H]1CCC[C@@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001593538678 1174110733 /nfs/dbraw/zinc/11/07/33/1174110733.db2.gz ZVEASGWGXDJPOF-YUMQZZPRSA-N -1 1 280.719 1.240 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1N[C@H]1CC12CCCCC2 ZINC001593594838 1174165448 /nfs/dbraw/zinc/16/54/48/1174165448.db2.gz IISGSLIJZCGBKD-JTQLQIEISA-N -1 1 271.328 1.791 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1N[C@H]1CC12CCCCC2 ZINC001593594838 1174165453 /nfs/dbraw/zinc/16/54/53/1174165453.db2.gz IISGSLIJZCGBKD-JTQLQIEISA-N -1 1 271.328 1.791 20 0 CDADMM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2ccc([O-])cn2)C1(C)C ZINC001597554784 1174280699 /nfs/dbraw/zinc/28/06/99/1174280699.db2.gz TWKHGOOLTKWQEE-XXILOJSOSA-N -1 1 264.325 1.577 20 0 CDADMM Cc1cc(C(=O)NCc2n[nH]c(C(C)C)n2)oc1C(=O)[O-] ZINC001600095849 1174361267 /nfs/dbraw/zinc/36/12/67/1174361267.db2.gz UPVNBLHTZVRMLE-UHFFFAOYSA-N -1 1 292.295 1.458 20 0 CDADMM CC(C)(F)CNCc1cnc2c(C(=O)[O-])cnn2c1 ZINC001573482177 1170670335 /nfs/dbraw/zinc/67/03/35/1170670335.db2.gz QAEBVIMZRKCIDN-UHFFFAOYSA-N -1 1 266.276 1.265 20 0 CDADMM CCOC(=O)[C@@H]1CCC[C@@H]1NCc1noc(C)c1C(=O)[O-] ZINC001573791328 1170777853 /nfs/dbraw/zinc/77/78/53/1170777853.db2.gz GHLNTOXYGPDRIG-ZJUUUORDSA-N -1 1 296.323 1.503 20 0 CDADMM CN1C[C@H](NC(=O)c2ncsc2NC(=O)[O-])C(C)(C)C1 ZINC001573883292 1170818583 /nfs/dbraw/zinc/81/85/83/1170818583.db2.gz SQNCKBHLGWFWIA-ZETCQYMHSA-N -1 1 298.368 1.303 20 0 CDADMM Cn1cc(Cl)c(CN[C@H]2CCC[C@]2(C)C(=O)[O-])n1 ZINC001574213575 1170922662 /nfs/dbraw/zinc/92/26/62/1170922662.db2.gz MOKCYHARMFRJNQ-JQWIXIFHSA-N -1 1 271.748 1.807 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)[C@@H]1CC(=O)c2ccccc21 ZINC001651044554 1171280382 /nfs/dbraw/zinc/28/03/82/1171280382.db2.gz OPAGWWMUFISLGM-SECBINFHSA-N -1 1 257.249 1.424 20 0 CDADMM CC(C)c1oncc1NC(=O)c1csc(C[NH3+])n1 ZINC001575898065 1171291396 /nfs/dbraw/zinc/29/13/96/1171291396.db2.gz IQCCMSUHGNWHEO-UHFFFAOYSA-N -1 1 266.326 1.966 20 0 CDADMM CC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)[C@@H]1C ZINC001577161300 1171611662 /nfs/dbraw/zinc/61/16/62/1171611662.db2.gz NHQFUJDWYDBMDB-RKDXNWHRSA-N -1 1 275.312 1.720 20 0 CDADMM CC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)[C@@H]1C ZINC001577161300 1171611672 /nfs/dbraw/zinc/61/16/72/1171611672.db2.gz NHQFUJDWYDBMDB-RKDXNWHRSA-N -1 1 275.312 1.720 20 0 CDADMM COc1nscc1S(=O)(=O)[N-][C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC001657032231 1171916284 /nfs/dbraw/zinc/91/62/84/1171916284.db2.gz YUQSYUUARNYTEK-LURQLKTLSA-N -1 1 288.394 1.475 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(C3CC3)[nH]n2)n1 ZINC000585681790 342453402 /nfs/dbraw/zinc/45/34/02/342453402.db2.gz FRRSLMAQUCXYQK-UHFFFAOYSA-N -1 1 289.295 1.439 20 0 CDADMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1)C(F)(F)F ZINC000114135880 342531634 /nfs/dbraw/zinc/53/16/34/342531634.db2.gz RMHQXULHALBZPQ-YFKPBYRVSA-N -1 1 288.678 1.964 20 0 CDADMM OCC1(CO)CC(N=c2[n-]c(C(F)(F)F)cs2)C1 ZINC000624698674 342009315 /nfs/dbraw/zinc/00/93/15/342009315.db2.gz WQVAUTIMZDKOOP-UHFFFAOYSA-N -1 1 282.287 1.129 20 0 CDADMM O=c1[n-]nc(C2CCN(c3cc(C4CC4)ncn3)CC2)o1 ZINC000641554868 365566958 /nfs/dbraw/zinc/56/69/58/365566958.db2.gz KBFUWADDZSFCKT-UHFFFAOYSA-N -1 1 287.323 1.827 20 0 CDADMM CC[C@H](NC(=O)N=c1[n-]sc2ccccc21)[C@@H](C)O ZINC000640340106 361814052 /nfs/dbraw/zinc/81/40/52/361814052.db2.gz OFUDEPPDZYZVDK-SCZZXKLOSA-N -1 1 279.365 1.999 20 0 CDADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]CC[C@H](C)O ZINC000082994605 178333498 /nfs/dbraw/zinc/33/34/98/178333498.db2.gz XJJVBKQEBUOGOV-YFKPBYRVSA-N -1 1 284.790 1.154 20 0 CDADMM C[C@H]1CCC[C@@H](C(=O)NC(C)(C)c2nn[n-]n2)C1 ZINC000354757679 365670797 /nfs/dbraw/zinc/67/07/97/365670797.db2.gz JXHHMTSKMYYMCZ-DTWKUNHWSA-N -1 1 251.334 1.377 20 0 CDADMM Cn1ccnc1NC(=O)c1c(F)ccc([O-])c1F ZINC000622708615 342118261 /nfs/dbraw/zinc/11/82/61/342118261.db2.gz CRRFSRAYSILQAE-UHFFFAOYSA-N -1 1 253.208 1.656 20 0 CDADMM Cc1ocnc1C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000591441990 342632438 /nfs/dbraw/zinc/63/24/38/342632438.db2.gz VXIRRUYEZZNIKV-LLVKDONJSA-N -1 1 284.279 1.016 20 0 CDADMM CCOCCNC(=O)N=c1[n-]sc2ccccc21 ZINC000640341716 361839628 /nfs/dbraw/zinc/83/96/28/361839628.db2.gz JJSBNJISLWECEG-UHFFFAOYSA-N -1 1 265.338 1.876 20 0 CDADMM C[C@](O)(CNC(=O)c1ncc2ccccc2c1[O-])C1CC1 ZINC000611694266 346853979 /nfs/dbraw/zinc/85/39/79/346853979.db2.gz RVJHFWLTQHGPEY-INIZCTEOSA-N -1 1 286.331 1.831 20 0 CDADMM O=C(N=c1[n-]sc2ccccc21)N[C@H]1C[C@@H](CO)C1 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O=C(COC[C@H]1CCCO1)Nc1ccc(F)cc1[O-] ZINC000532267158 391741354 /nfs/dbraw/zinc/74/13/54/391741354.db2.gz LFXJHXKAKVCWMC-SNVBAGLBSA-N -1 1 269.272 1.665 20 0 CDADMM CC(C)C[C@@H]1C[C@H](N=c2[nH]c(C(=O)[O-])co2)CCO1 ZINC000649394674 392170322 /nfs/dbraw/zinc/17/03/22/392170322.db2.gz XQRFEDLHJFOGSK-NXEZZACHSA-N -1 1 268.313 1.800 20 0 CDADMM O=C(c1ccc(Cl)cc1[O-])N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252848368 392253565 /nfs/dbraw/zinc/25/35/65/392253565.db2.gz DLSXKWQAICJABF-KPXOXKRLSA-N -1 1 281.739 1.889 20 0 CDADMM O=C([O-])CCCCCNC(=O)Cc1[nH]nc2ccccc21 ZINC000238144623 131078022 /nfs/dbraw/zinc/07/80/22/131078022.db2.gz WMGJAQBKPYQOPQ-UHFFFAOYSA-N -1 1 289.335 1.867 20 0 CDADMM CC(C)c1cccc(O[C@H](C)C(=O)Nc2nnn[n-]2)c1 ZINC000264042616 131385260 /nfs/dbraw/zinc/38/52/60/131385260.db2.gz WDFFOZUVEQPWKS-SECBINFHSA-N -1 1 275.312 1.729 20 0 CDADMM CC(C)c1cccc(O[C@H](C)C(=O)Nc2nn[n-]n2)c1 ZINC000264042616 131385262 /nfs/dbraw/zinc/38/52/62/131385262.db2.gz WDFFOZUVEQPWKS-SECBINFHSA-N -1 1 275.312 1.729 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cn2ccc(C)cc2n1 ZINC000646409090 392418007 /nfs/dbraw/zinc/41/80/07/392418007.db2.gz FICILOPELWSYBP-UHFFFAOYSA-N -1 1 271.280 1.632 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000646409620 392418972 /nfs/dbraw/zinc/41/89/72/392418972.db2.gz ONDQLVSNDJNCHR-UHFFFAOYSA-N -1 1 284.279 1.461 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(Cl)cn1C ZINC000646412447 392422727 /nfs/dbraw/zinc/42/27/27/392422727.db2.gz IQSXKGHDVGGHTP-UHFFFAOYSA-N -1 1 254.677 1.668 20 0 CDADMM CC[C@@H]1CN(C)CCN1C(=O)N=c1ncn(C(C)(C)C)[n-]1 ZINC000517218764 392855430 /nfs/dbraw/zinc/85/54/30/392855430.db2.gz OBDIBNXYKCIDFO-LLVKDONJSA-N -1 1 294.403 1.013 20 0 CDADMM CC[C@H](O)CCNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000268651456 132043044 /nfs/dbraw/zinc/04/30/44/132043044.db2.gz AWZIEVIHZOXMSM-JTQLQIEISA-N -1 1 295.383 1.679 20 0 CDADMM COCC[N-]S(=O)(=O)c1sccc1Cl ZINC000451012102 393050544 /nfs/dbraw/zinc/05/05/44/393050544.db2.gz 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413851270 /nfs/dbraw/zinc/85/12/70/413851270.db2.gz GGDZAVQKVHPHFA-UHFFFAOYSA-N -1 1 293.758 1.738 20 0 CDADMM Cc1cnc(S[C@@H](C(=O)N(C)C)C(C)C)[n-]c1=O ZINC000657261773 414077920 /nfs/dbraw/zinc/07/79/20/414077920.db2.gz SDDXVVIBNIIHMP-SECBINFHSA-N -1 1 269.370 1.696 20 0 CDADMM O=C([O-])[C@H]1CN(CC[C@H]2CCc3ccccc32)CCO1 ZINC000659788496 414115121 /nfs/dbraw/zinc/11/51/21/414115121.db2.gz JEFULCWWHUGSGX-UKRRQHHQSA-N -1 1 275.348 1.892 20 0 CDADMM O=C([O-])CN1CC[C@@H](N2CCCc3ccccc3C2)C1=O ZINC000662207074 414563185 /nfs/dbraw/zinc/56/31/85/414563185.db2.gz UVLZSKYZAPGDAN-CQSZACIVSA-N -1 1 288.347 1.120 20 0 CDADMM O=C(Nc1nnn[n-]1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000076963571 177135696 /nfs/dbraw/zinc/13/56/96/177135696.db2.gz ZXMQAMWXSFWNFM-JGVFFNPUSA-N -1 1 297.240 1.961 20 0 CDADMM O=C(Nc1nn[n-]n1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000076963571 177135698 /nfs/dbraw/zinc/13/56/98/177135698.db2.gz ZXMQAMWXSFWNFM-JGVFFNPUSA-N -1 1 297.240 1.961 20 0 CDADMM CC(C)[C@@H]([NH2+]Cc1csc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001589476258 1173148271 /nfs/dbraw/zinc/14/82/71/1173148271.db2.gz VTVMYKUSZJJJTG-SECBINFHSA-N -1 1 281.341 1.127 20 0 CDADMM CC(C)C[C@H](C)Cn1ccn2ncc(-c3nn[n-]n3)c12 ZINC001589550472 1173158584 /nfs/dbraw/zinc/15/85/84/1173158584.db2.gz YQASPYXQDQQJKW-JTQLQIEISA-N -1 1 273.344 1.998 20 0 CDADMM CC(C)n1ccnc1Sc1cnc(-c2nn[n-]n2)cn1 ZINC001589783276 1173180135 /nfs/dbraw/zinc/18/01/35/1173180135.db2.gz GSHUZPGPEFVKEH-UHFFFAOYSA-N -1 1 288.340 1.585 20 0 CDADMM CC(F)(F)COC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589908069 1173201594 /nfs/dbraw/zinc/20/15/94/1173201594.db2.gz CPHQLLZPFVRNLJ-UHFFFAOYSA-N -1 1 283.238 1.003 20 0 CDADMM CC(F)(F)COC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589908069 1173201599 /nfs/dbraw/zinc/20/15/99/1173201599.db2.gz CPHQLLZPFVRNLJ-UHFFFAOYSA-N -1 1 283.238 1.003 20 0 CDADMM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1[nH]nc2c1CCCC2 ZINC000659234068 423860783 /nfs/dbraw/zinc/86/07/83/423860783.db2.gz FJRVVUMOOSCFEU-XHDPSFHLSA-N 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Cc1cc(CNc2nnc(CCCC(=O)[O-])s2)[nH]n1 ZINC001600212835 1174413089 /nfs/dbraw/zinc/41/30/89/1174413089.db2.gz VJRSKCXQQSKTKW-UHFFFAOYSA-N -1 1 281.341 1.589 20 0 CDADMM CCC[C@@H](NC(=O)COc1cccc(C)c1)c1nn[n-]n1 ZINC000176777633 528973006 /nfs/dbraw/zinc/97/30/06/528973006.db2.gz BFTQYTLUXWWURY-GFCCVEGCSA-N -1 1 289.339 1.545 20 0 CDADMM CC(C)c1cc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)n[nH]1 ZINC000262505194 535348509 /nfs/dbraw/zinc/34/85/09/535348509.db2.gz ZHNHLIYECXYTCD-JTQLQIEISA-N -1 1 291.351 1.860 20 0 CDADMM CCc1nc(=NC[C@]2(N(C)C)CCSC2)s[n-]1 ZINC000426908400 536117853 /nfs/dbraw/zinc/11/78/53/536117853.db2.gz XYONWVAYSVZVBU-LLVKDONJSA-N -1 1 272.443 1.372 20 0 CDADMM Cc1ccccc1OCC(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000123980010 538418693 /nfs/dbraw/zinc/41/86/93/538418693.db2.gz QULZDRILYWFSDI-LLVKDONJSA-N -1 1 289.339 1.149 20 0 CDADMM Cc1ccccc1[C@@H](C(=O)[O-])N1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC001600566952 1174509455 /nfs/dbraw/zinc/50/94/55/1174509455.db2.gz 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575084200 /nfs/dbraw/zinc/08/42/00/575084200.db2.gz DMJXJIJSQHVNFM-UHFFFAOYSA-N -1 1 298.295 1.828 20 0 CDADMM C[C@H](C(=O)OCc1nc(=O)n(C)[n-]1)c1ccsc1 ZINC000765480253 575090313 /nfs/dbraw/zinc/09/03/13/575090313.db2.gz PSQNZHDGELWZRY-ZETCQYMHSA-N -1 1 267.310 1.017 20 0 CDADMM CCS(=O)(=O)CCN(C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000737887948 575100938 /nfs/dbraw/zinc/10/09/38/575100938.db2.gz WYQNJBMGJRSXBS-CYBMUJFWSA-N -1 1 299.392 1.049 20 0 CDADMM O=C([O-])[C@H]1[C@H](CN2CCn3cccc3C2)C1(F)F ZINC001601747333 1174980561 /nfs/dbraw/zinc/98/05/61/1174980561.db2.gz CRWIHODYFJLWRP-VHSXEESVSA-N -1 1 256.252 1.270 20 0 CDADMM O=C([O-])[C@H]1[C@@H](CN2CCn3cccc3C2)C1(F)F ZINC001601747331 1174981479 /nfs/dbraw/zinc/98/14/79/1174981479.db2.gz CRWIHODYFJLWRP-NXEZZACHSA-N -1 1 256.252 1.270 20 0 CDADMM O=C([O-])c1ccoc1CN1CCC[C@H](n2cncn2)C1 ZINC000740249261 576450319 /nfs/dbraw/zinc/45/03/19/576450319.db2.gz UECUMSWKUPWVHU-JTQLQIEISA-N -1 1 276.296 1.406 20 0 CDADMM COc1ccc(OS(=O)(=O)c2c[n-]cn2)cc1OC 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CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736741690 575732391 /nfs/dbraw/zinc/73/23/91/575732391.db2.gz IOGBHMXTAQZUSH-UHFFFAOYSA-N -1 1 280.291 1.538 20 0 CDADMM O=C([N-]OC1CCOCC1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000772709962 575740589 /nfs/dbraw/zinc/74/05/89/575740589.db2.gz KSNRIBHJNZZWSF-NSHDSACASA-N -1 1 296.367 1.004 20 0 CDADMM COC1CCC(N(C)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000736963862 575777627 /nfs/dbraw/zinc/77/76/27/575777627.db2.gz XFSKUGDCVKSOEO-UHFFFAOYSA-N -1 1 288.355 1.656 20 0 CDADMM COC1CCC(N(C)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000736963862 575777628 /nfs/dbraw/zinc/77/76/28/575777628.db2.gz XFSKUGDCVKSOEO-UHFFFAOYSA-N -1 1 288.355 1.656 20 0 CDADMM O=C([C@@H]1CC=CCC1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773157521 575786578 /nfs/dbraw/zinc/78/65/78/575786578.db2.gz CXDFGHUDTHZKOP-ZJUUUORDSA-N -1 1 279.369 1.173 20 0 CDADMM CC(C)C(=O)N1CCC(C(=O)[N-]Oc2ccccc2)CC1 ZINC000773473675 575814139 /nfs/dbraw/zinc/81/41/39/575814139.db2.gz QKVWYAMYGRKWCB-UHFFFAOYSA-N -1 1 290.363 1.991 20 0 CDADMM COc1ccccc1CCNc1cccc(-c2nnn[n-]2)n1 ZINC000737150044 575832600 /nfs/dbraw/zinc/83/26/00/575832600.db2.gz KVZHRSFPILZASR-UHFFFAOYSA-N -1 1 296.334 1.925 20 0 CDADMM COc1ccccc1CCNc1cccc(-c2nn[n-]n2)n1 ZINC000737150044 575832601 /nfs/dbraw/zinc/83/26/01/575832601.db2.gz KVZHRSFPILZASR-UHFFFAOYSA-N -1 1 296.334 1.925 20 0 CDADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1F ZINC000737273979 575932277 /nfs/dbraw/zinc/93/22/77/575932277.db2.gz JVAGVZSHYKGVKL-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1F ZINC000737273979 575932279 /nfs/dbraw/zinc/93/22/79/575932279.db2.gz JVAGVZSHYKGVKL-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM CN(C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000737360746 575947027 /nfs/dbraw/zinc/94/70/27/575947027.db2.gz NSHRVZPFBDOCEI-NSHDSACASA-N -1 1 268.288 1.019 20 0 CDADMM CN1CCC[C@@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000737518605 575981430 /nfs/dbraw/zinc/98/14/30/575981430.db2.gz DLHYRWWEFYFKOM-ZIAGYGMSSA-N -1 1 288.347 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CC(C)C[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824227727 607763287 /nfs/dbraw/zinc/76/32/87/607763287.db2.gz AWCWRZJQBAISAE-SECBINFHSA-N -1 1 274.328 1.426 20 0 CDADMM CC(C)C[C@@H](NC(=O)CN[C@@H](C)c1cccnc1)C(=O)[O-] ZINC000833482392 605795344 /nfs/dbraw/zinc/79/53/44/605795344.db2.gz PRVMWDYQVRYVLU-WCQYABFASA-N -1 1 293.367 1.348 20 0 CDADMM CNC(=O)[C@@H](NCc1cc(C(=O)[O-])ccc1F)C(C)C ZINC000833699054 605845114 /nfs/dbraw/zinc/84/51/14/605845114.db2.gz DMCKOWJXIPRNAI-LBPRGKRZSA-N -1 1 282.315 1.384 20 0 CDADMM C[C@@H](CO)CSc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820280384 606090931 /nfs/dbraw/zinc/09/09/31/606090931.db2.gz FAPFXYLPFKUDEH-LURJTMIESA-N -1 1 285.760 1.636 20 0 CDADMM C[C@@H](CO)CSc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820280384 606090936 /nfs/dbraw/zinc/09/09/36/606090936.db2.gz FAPFXYLPFKUDEH-LURJTMIESA-N -1 1 285.760 1.636 20 0 CDADMM O=C(OC[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823400504 606135036 /nfs/dbraw/zinc/13/50/36/606135036.db2.gz FANSGGYHFMOJNH-ZETCQYMHSA-N -1 1 280.309 1.122 20 0 CDADMM O=C(OC[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823400504 606135037 /nfs/dbraw/zinc/13/50/37/606135037.db2.gz FANSGGYHFMOJNH-ZETCQYMHSA-N -1 1 280.309 1.122 20 0 CDADMM OCC1(CNc2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000823714590 606142877 /nfs/dbraw/zinc/14/28/77/606142877.db2.gz NOMOUXWAASGMPD-UHFFFAOYSA-N -1 1 296.334 1.599 20 0 CDADMM OCC1(CNc2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000823714590 606142875 /nfs/dbraw/zinc/14/28/75/606142875.db2.gz NOMOUXWAASGMPD-UHFFFAOYSA-N -1 1 296.334 1.599 20 0 CDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H]1CCOC1 ZINC000820512637 606181660 /nfs/dbraw/zinc/18/16/60/606181660.db2.gz MGUBYZFFKKLNHZ-JGVFFNPUSA-N -1 1 294.336 1.510 20 0 CDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H]1CCOC1 ZINC000820512637 606181661 /nfs/dbraw/zinc/18/16/61/606181661.db2.gz MGUBYZFFKKLNHZ-JGVFFNPUSA-N -1 1 294.336 1.510 20 0 CDADMM O=C(CCC1CC1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822950324 606295955 /nfs/dbraw/zinc/29/59/55/606295955.db2.gz JXNVGJCXJOMZNP-UHFFFAOYSA-N -1 1 273.296 1.701 20 0 CDADMM CC(C)CN1CC(=O)N[C@@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000820092267 606393133 /nfs/dbraw/zinc/39/31/33/606393133.db2.gz JXXNWSCAPRASIE-LBPRGKRZSA-N -1 1 292.368 1.015 20 0 CDADMM C[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820709457 606436614 /nfs/dbraw/zinc/43/66/14/606436614.db2.gz IXVXBLOGAKKCEZ-SSDOTTSWSA-N -1 1 263.326 1.553 20 0 CDADMM C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820709457 606436616 /nfs/dbraw/zinc/43/66/16/606436616.db2.gz IXVXBLOGAKKCEZ-SSDOTTSWSA-N -1 1 263.326 1.553 20 0 CDADMM CC(C)[C@@H]1OCC[C@@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC000820047239 606471897 /nfs/dbraw/zinc/47/18/97/606471897.db2.gz WRWADTRFIWDSIS-MFKMUULPSA-N -1 1 288.355 1.735 20 0 CDADMM CC(C)[C@@H]1OCC[C@@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC000820047239 606471899 /nfs/dbraw/zinc/47/18/99/606471899.db2.gz WRWADTRFIWDSIS-MFKMUULPSA-N -1 1 288.355 1.735 20 0 CDADMM OC[C@@H](CNc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000823705887 606478167 /nfs/dbraw/zinc/47/81/67/606478167.db2.gz IOLQDIQQJAQWJQ-GFCCVEGCSA-N -1 1 296.334 1.450 20 0 CDADMM OC[C@@H](CNc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000823705887 606478169 /nfs/dbraw/zinc/47/81/69/606478169.db2.gz IOLQDIQQJAQWJQ-GFCCVEGCSA-N -1 1 296.334 1.450 20 0 CDADMM CCC(C)(C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820848342 606488561 /nfs/dbraw/zinc/48/85/61/606488561.db2.gz VHZNWVKITDDCIZ-UHFFFAOYSA-N -1 1 265.342 1.847 20 0 CDADMM CCC(C)(C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820848342 606488562 /nfs/dbraw/zinc/48/85/62/606488562.db2.gz VHZNWVKITDDCIZ-UHFFFAOYSA-N -1 1 265.342 1.847 20 0 CDADMM O=C(CC1CCCC1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000822940719 606531015 /nfs/dbraw/zinc/53/10/15/606531015.db2.gz BQOYIOWHDANFEO-UHFFFAOYSA-N -1 1 261.289 1.109 20 0 CDADMM O=C(CC1CCCC1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000822940719 606531016 /nfs/dbraw/zinc/53/10/16/606531016.db2.gz BQOYIOWHDANFEO-UHFFFAOYSA-N -1 1 261.289 1.109 20 0 CDADMM O=C(NCC1CCOCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823183186 606543925 /nfs/dbraw/zinc/54/39/25/606543925.db2.gz SQWRZEJIMFPQST-UHFFFAOYSA-N -1 1 293.352 1.085 20 0 CDADMM O=C(NCC1CCOCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823183186 606543927 /nfs/dbraw/zinc/54/39/27/606543927.db2.gz SQWRZEJIMFPQST-UHFFFAOYSA-N -1 1 293.352 1.085 20 0 CDADMM CC(C)[C@@H](C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820015682 606648575 /nfs/dbraw/zinc/64/85/75/606648575.db2.gz FGNCSLVNYPKCAF-SECBINFHSA-N -1 1 275.312 1.597 20 0 CDADMM CC(C)[C@@H](C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820015682 606648576 /nfs/dbraw/zinc/64/85/76/606648576.db2.gz FGNCSLVNYPKCAF-SECBINFHSA-N -1 1 275.312 1.597 20 0 CDADMM CC(C)CCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820068193 606653275 /nfs/dbraw/zinc/65/32/75/606653275.db2.gz OSRUTSLWFQEMNC-UHFFFAOYSA-N -1 1 275.312 1.741 20 0 CDADMM CC(C)CCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820068193 606653276 /nfs/dbraw/zinc/65/32/76/606653276.db2.gz OSRUTSLWFQEMNC-UHFFFAOYSA-N -1 1 275.312 1.741 20 0 CDADMM CCCC[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821039120 606924596 /nfs/dbraw/zinc/92/45/96/606924596.db2.gz AKENXMKEGWZOMF-VIFPVBQESA-N -1 1 275.312 1.997 20 0 CDADMM CCCC[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821039120 606924599 /nfs/dbraw/zinc/92/45/99/606924599.db2.gz AKENXMKEGWZOMF-VIFPVBQESA-N -1 1 275.312 1.997 20 0 CDADMM C[C@@H]1CC[C@@H](CC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000820685313 607042830 /nfs/dbraw/zinc/04/28/30/607042830.db2.gz UBEKKOCCUVQRPA-HTQZYQBOSA-N -1 1 275.316 1.112 20 0 CDADMM CCc1ocnc1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821563798 607102924 /nfs/dbraw/zinc/10/29/24/607102924.db2.gz FZTCUGGRGCGFNY-UHFFFAOYSA-N -1 1 291.296 1.126 20 0 CDADMM CCc1ocnc1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821563798 607102926 /nfs/dbraw/zinc/10/29/26/607102926.db2.gz FZTCUGGRGCGFNY-UHFFFAOYSA-N -1 1 291.296 1.126 20 0 CDADMM O=c1c(-c2nn[n-]n2)cn(C/C=C/Cl)c2ccccc12 ZINC000823657429 607166629 /nfs/dbraw/zinc/16/66/29/607166629.db2.gz OTLDLSVXLMULHP-ZZXKWVIFSA-N -1 1 287.710 1.934 20 0 CDADMM C[C@@H]1COCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000825006626 607825600 /nfs/dbraw/zinc/82/56/00/607825600.db2.gz MOCKFKLQLAHKFZ-QMMMGPOBSA-N -1 1 293.352 1.037 20 0 CDADMM C[C@@H]1COCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000825006626 607825601 /nfs/dbraw/zinc/82/56/01/607825601.db2.gz MOCKFKLQLAHKFZ-QMMMGPOBSA-N -1 1 293.352 1.037 20 0 CDADMM Fc1cccc(OC[C@H]2CCOC2)c1-c1nnn[n-]1 ZINC000826377728 607864825 /nfs/dbraw/zinc/86/48/25/607864825.db2.gz DAAURUSPFLMYPG-QMMMGPOBSA-N -1 1 264.260 1.421 20 0 CDADMM Fc1cccc(OC[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826377728 607864826 /nfs/dbraw/zinc/86/48/26/607864826.db2.gz DAAURUSPFLMYPG-QMMMGPOBSA-N -1 1 264.260 1.421 20 0 CDADMM Cc1ccnc(COc2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826308465 607890551 /nfs/dbraw/zinc/89/05/51/607890551.db2.gz AJMQJNQDGDWMNC-UHFFFAOYSA-N -1 1 286.270 1.683 20 0 CDADMM Cc1ccnc(COc2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826308465 607890552 /nfs/dbraw/zinc/89/05/52/607890552.db2.gz AJMQJNQDGDWMNC-UHFFFAOYSA-N -1 1 286.270 1.683 20 0 CDADMM c1ccc2c(c1)CCN2c1cccc(-c2nnn[n-]2)n1 ZINC000095169583 607894455 /nfs/dbraw/zinc/89/44/55/607894455.db2.gz ZEVPGVQABJTCEO-UHFFFAOYSA-N -1 1 264.292 1.956 20 0 CDADMM c1ccc2c(c1)CCN2c1cccc(-c2nn[n-]n2)n1 ZINC000095169583 607894456 /nfs/dbraw/zinc/89/44/56/607894456.db2.gz ZEVPGVQABJTCEO-UHFFFAOYSA-N -1 1 264.292 1.956 20 0 CDADMM CC[C@@H]1C[C@@H](C)CN1c1cccc(-c2nnn[n-]2)n1 ZINC000825181911 607900758 /nfs/dbraw/zinc/90/07/58/607900758.db2.gz GJUMKHOVBZTCKP-NXEZZACHSA-N -1 1 258.329 1.887 20 0 CDADMM CC[C@@H]1C[C@@H](C)CN1c1cccc(-c2nn[n-]n2)n1 ZINC000825181911 607900759 /nfs/dbraw/zinc/90/07/59/607900759.db2.gz GJUMKHOVBZTCKP-NXEZZACHSA-N -1 1 258.329 1.887 20 0 CDADMM c1ccc(CN(c2ccc(-c3nnn[n-]3)nn2)C2CC2)cc1 ZINC000826521514 607989471 /nfs/dbraw/zinc/98/94/71/607989471.db2.gz PQSPAHHSEPFDTD-UHFFFAOYSA-N -1 1 293.334 1.826 20 0 CDADMM c1ccc(CN(c2ccc(-c3nn[n-]n3)nn2)C2CC2)cc1 ZINC000826521514 607989472 /nfs/dbraw/zinc/98/94/72/607989472.db2.gz PQSPAHHSEPFDTD-UHFFFAOYSA-N -1 1 293.334 1.826 20 0 CDADMM CCc1ccccc1NC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000825723395 608012936 /nfs/dbraw/zinc/01/29/36/608012936.db2.gz ZLTXKSTYCXTZHC-UHFFFAOYSA-N -1 1 297.322 1.264 20 0 CDADMM CCc1ccccc1NC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000825723395 608012937 /nfs/dbraw/zinc/01/29/37/608012937.db2.gz ZLTXKSTYCXTZHC-UHFFFAOYSA-N -1 1 297.322 1.264 20 0 CDADMM CCCc1ccc(C(=O)Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000825348065 608014138 /nfs/dbraw/zinc/01/41/38/608014138.db2.gz BNLDWLDJOIMMLZ-UHFFFAOYSA-N -1 1 296.334 1.899 20 0 CDADMM CCCc1ccc(C(=O)Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000825348065 608014139 /nfs/dbraw/zinc/01/41/39/608014139.db2.gz BNLDWLDJOIMMLZ-UHFFFAOYSA-N -1 1 296.334 1.899 20 0 CDADMM CN(CC(C)(C)O)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000825897989 608122655 /nfs/dbraw/zinc/12/26/55/608122655.db2.gz UGIDYNFSBLFZPT-UHFFFAOYSA-N -1 1 298.350 1.622 20 0 CDADMM CN(CC(C)(C)O)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000825897989 608122656 /nfs/dbraw/zinc/12/26/56/608122656.db2.gz UGIDYNFSBLFZPT-UHFFFAOYSA-N -1 1 298.350 1.622 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NCCC1=CCCCC1 ZINC000823868008 608388199 /nfs/dbraw/zinc/38/81/99/608388199.db2.gz MQAWFSPLCCTFCE-UHFFFAOYSA-N -1 1 271.328 1.959 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NCCC1=CCCCC1 ZINC000823868008 608388201 /nfs/dbraw/zinc/38/82/01/608388201.db2.gz MQAWFSPLCCTFCE-UHFFFAOYSA-N -1 1 271.328 1.959 20 0 CDADMM C[C@@H]1CCOCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000824969470 608416596 /nfs/dbraw/zinc/41/65/96/608416596.db2.gz USNUDUWXAVEPLJ-MRVPVSSYSA-N -1 1 294.746 1.530 20 0 CDADMM C[C@@H]1CCOCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000824969470 608416598 /nfs/dbraw/zinc/41/65/98/608416598.db2.gz USNUDUWXAVEPLJ-MRVPVSSYSA-N -1 1 294.746 1.530 20 0 CDADMM c1coc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826526286 608421160 /nfs/dbraw/zinc/42/11/60/608421160.db2.gz SJUNIKBGJWEOQZ-SNVBAGLBSA-N -1 1 283.295 1.591 20 0 CDADMM c1coc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826526286 608421162 /nfs/dbraw/zinc/42/11/62/608421162.db2.gz SJUNIKBGJWEOQZ-SNVBAGLBSA-N -1 1 283.295 1.591 20 0 CDADMM CS[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826226519 608424824 /nfs/dbraw/zinc/42/48/24/608424824.db2.gz AZZNFSDQUQGTML-YUMQZZPRSA-N -1 1 277.357 1.353 20 0 CDADMM CS[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826226519 608424825 /nfs/dbraw/zinc/42/48/25/608424825.db2.gz AZZNFSDQUQGTML-YUMQZZPRSA-N -1 1 277.357 1.353 20 0 CDADMM C[C@@H](Cc1ccncc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824465669 608428587 /nfs/dbraw/zinc/42/85/87/608428587.db2.gz RDJVQRZXOKBEMI-VIFPVBQESA-N -1 1 282.311 1.095 20 0 CDADMM C[C@@H](Cc1ccncc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824465669 608428588 /nfs/dbraw/zinc/42/85/88/608428588.db2.gz RDJVQRZXOKBEMI-VIFPVBQESA-N -1 1 282.311 1.095 20 0 CDADMM CC(C)[C@H]1OCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824229148 608428606 /nfs/dbraw/zinc/42/86/06/608428606.db2.gz OLFLAVYYXHZPII-JOYOIKCWSA-N -1 1 289.343 1.130 20 0 CDADMM CC(C)[C@H]1OCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824229148 608428607 /nfs/dbraw/zinc/42/86/07/608428607.db2.gz OLFLAVYYXHZPII-JOYOIKCWSA-N -1 1 289.343 1.130 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1N[C@@H]1CCOC2(CCC2)C1 ZINC000826514530 608435170 /nfs/dbraw/zinc/43/51/70/608435170.db2.gz UWDOZIAMBHJGLG-SECBINFHSA-N -1 1 287.327 1.170 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1N[C@@H]1CCOC2(CCC2)C1 ZINC000826514530 608435171 /nfs/dbraw/zinc/43/51/71/608435171.db2.gz UWDOZIAMBHJGLG-SECBINFHSA-N -1 1 287.327 1.170 20 0 CDADMM C[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC000824961788 608440244 /nfs/dbraw/zinc/44/02/44/608440244.db2.gz ISBYHSQTLBJIMA-DTWKUNHWSA-N -1 1 259.317 1.139 20 0 CDADMM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC000824961788 608440246 /nfs/dbraw/zinc/44/02/46/608440246.db2.gz ISBYHSQTLBJIMA-DTWKUNHWSA-N -1 1 259.317 1.139 20 0 CDADMM CC(C)[C@@H](O)C1(CNc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000824200673 608586362 /nfs/dbraw/zinc/58/63/62/608586362.db2.gz RTBWCAUODMOZMB-GFCCVEGCSA-N -1 1 288.355 1.471 20 0 CDADMM CC(C)[C@@H](O)C1(CNc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000824200673 608586363 /nfs/dbraw/zinc/58/63/63/608586363.db2.gz RTBWCAUODMOZMB-GFCCVEGCSA-N -1 1 288.355 1.471 20 0 CDADMM FC(F)O[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000826369400 609316981 /nfs/dbraw/zinc/31/69/81/609316981.db2.gz AUAVRDMSARIBTD-MRVPVSSYSA-N -1 1 296.281 1.470 20 0 CDADMM FC(F)O[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000826369400 609316983 /nfs/dbraw/zinc/31/69/83/609316983.db2.gz AUAVRDMSARIBTD-MRVPVSSYSA-N -1 1 296.281 1.470 20 0 CDADMM c1[nH]nc(NCc2cncc3ccccc32)c1-c1nnn[n-]1 ZINC000826522633 609489158 /nfs/dbraw/zinc/48/91/58/609489158.db2.gz IMARWLFTFKSVNE-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1[nH]nc(NCc2cncc3ccccc32)c1-c1nn[n-]n1 ZINC000826522633 609489161 /nfs/dbraw/zinc/48/91/61/609489161.db2.gz IMARWLFTFKSVNE-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM CC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)c1ncccc1[O-] ZINC000962945234 613578196 /nfs/dbraw/zinc/57/81/96/613578196.db2.gz MSCGZKKUUDRJJB-NEPJUHHUSA-N -1 1 289.335 1.013 20 0 CDADMM COCc1nc(NC[C@]2(C)CCO[C@@H]2C2CC2)cc(=O)[n-]1 ZINC000893215695 617469602 /nfs/dbraw/zinc/46/96/02/617469602.db2.gz KXQSLOLDEKFTEY-CABCVRRESA-N -1 1 293.367 1.946 20 0 CDADMM CCn1nccc1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891616802 617505780 /nfs/dbraw/zinc/50/57/80/617505780.db2.gz ALTCVDAGHVLDEM-UHFFFAOYSA-N -1 1 287.323 1.530 20 0 CDADMM COCc1nc(NCc2csc(C)n2)cc(=O)[n-]1 ZINC000891883204 617713716 /nfs/dbraw/zinc/71/37/16/617713716.db2.gz JIUZJBOPJRDTNL-UHFFFAOYSA-N -1 1 266.326 1.706 20 0 CDADMM COCc1nc(N(C)Cc2nccs2)cc(=O)[n-]1 ZINC000892769385 617721043 /nfs/dbraw/zinc/72/10/43/617721043.db2.gz YHSOIORQMAXHFB-UHFFFAOYSA-N -1 1 266.326 1.422 20 0 CDADMM COCc1nc(NC[C@@H](C)c2ccncc2)cc(=O)[n-]1 ZINC000892835944 617809312 /nfs/dbraw/zinc/80/93/12/617809312.db2.gz JYXROEWCFVNSMQ-SNVBAGLBSA-N -1 1 274.324 1.939 20 0 CDADMM C[C@@H]1CC[C@H](NC(=O)CN2CCC[C@H](C(=O)[O-])C2)C1 ZINC000910558977 618300611 /nfs/dbraw/zinc/30/06/11/618300611.db2.gz GQPUEAOGFDFTOA-WOPDTQHZSA-N -1 1 268.357 1.088 20 0 CDADMM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC[C@@H](c1cccs1)N(C)C 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KMNKBAUSUMMPKG-ZCFIWIBFSA-N -1 1 286.299 1.435 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@]1(C)CCOC1 ZINC001606169610 1163797129 /nfs/dbraw/zinc/79/71/29/1163797129.db2.gz PHEFZHRXSQBGDV-LBPRGKRZSA-N -1 1 278.268 1.104 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@]1(C)CCOC1 ZINC001606169610 1163797137 /nfs/dbraw/zinc/79/71/37/1163797137.db2.gz PHEFZHRXSQBGDV-LBPRGKRZSA-N -1 1 278.268 1.104 20 0 CDADMM CN(Cc1nccn1C)C[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001606177246 1163798628 /nfs/dbraw/zinc/79/86/28/1163798628.db2.gz UTNGYSFDKNNGQK-NWDGAFQWSA-N -1 1 265.357 1.743 20 0 CDADMM Clc1ccc(Cn2cc(-c3nn[n-]n3)nn2)cc1Cl ZINC001606191016 1163802618 /nfs/dbraw/zinc/80/26/18/1163802618.db2.gz BHZBZRUIHIHIHP-UHFFFAOYSA-N -1 1 296.121 1.813 20 0 CDADMM FC(F)(F)C1=CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001606289245 1163838430 /nfs/dbraw/zinc/83/84/30/1163838430.db2.gz ZLEOXWOIEOXJCX-UHFFFAOYSA-N -1 1 296.256 1.961 20 0 CDADMM FC(F)(F)C1=CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001606289245 1163838435 /nfs/dbraw/zinc/83/84/35/1163838435.db2.gz ZLEOXWOIEOXJCX-UHFFFAOYSA-N -1 1 296.256 1.961 20 0 CDADMM O=C(NC[C@H]1CCC=CO1)c1ccc(-c2nnn[n-]2)s1 ZINC001606728770 1163974936 /nfs/dbraw/zinc/97/49/36/1163974936.db2.gz ZMPCOEGERXXQDB-MRVPVSSYSA-N -1 1 291.336 1.351 20 0 CDADMM O=C(NC[C@H]1CCC=CO1)c1ccc(-c2nn[n-]n2)s1 ZINC001606728770 1163974939 /nfs/dbraw/zinc/97/49/39/1163974939.db2.gz ZMPCOEGERXXQDB-MRVPVSSYSA-N -1 1 291.336 1.351 20 0 CDADMM COCCOc1cccc(CN[C@@H](CF)C(=O)[O-])c1 ZINC001606917238 1164029005 /nfs/dbraw/zinc/02/90/05/1164029005.db2.gz LSOUFVRIYGHWHE-LBPRGKRZSA-N -1 1 271.288 1.224 20 0 CDADMM O=C(Nc1cccc(O)c1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606939392 1164035487 /nfs/dbraw/zinc/03/54/87/1164035487.db2.gz WZEOMHGTFWIOFS-UHFFFAOYSA-N -1 1 282.263 1.220 20 0 CDADMM O=C(Nc1cccc(O)c1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606939392 1164035493 /nfs/dbraw/zinc/03/54/93/1164035493.db2.gz WZEOMHGTFWIOFS-UHFFFAOYSA-N -1 1 282.263 1.220 20 0 CDADMM O=C(OCCc1ccoc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606972256 1164045945 /nfs/dbraw/zinc/04/59/45/1164045945.db2.gz PQILUVUMYCMPMB-UHFFFAOYSA-N -1 1 285.263 1.254 20 0 CDADMM O=C(OCCc1ccoc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606972256 1164045947 /nfs/dbraw/zinc/04/59/47/1164045947.db2.gz PQILUVUMYCMPMB-UHFFFAOYSA-N -1 1 285.263 1.254 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@@H]2C[C@@H]21 ZINC001607016693 1164060460 /nfs/dbraw/zinc/06/04/60/1164060460.db2.gz DRGXSVJDKHHJHL-SFYZADRCSA-N -1 1 259.269 1.084 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@@H]2C[C@@H]21 ZINC001607016693 1164060465 /nfs/dbraw/zinc/06/04/65/1164060465.db2.gz DRGXSVJDKHHJHL-SFYZADRCSA-N -1 1 259.269 1.084 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(F)(F)CC1 ZINC001607017592 1164060502 /nfs/dbraw/zinc/06/05/02/1164060502.db2.gz YLDQPQJGYJDFAW-UHFFFAOYSA-N -1 1 294.265 1.133 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(F)(F)CC1 ZINC001607017592 1164060511 /nfs/dbraw/zinc/06/05/11/1164060511.db2.gz YLDQPQJGYJDFAW-UHFFFAOYSA-N -1 1 294.265 1.133 20 0 CDADMM c1cc(N2CCCC[C@@H]2C2CCC2)nnc1-c1nnn[n-]1 ZINC001607120256 1164103249 /nfs/dbraw/zinc/10/32/49/1164103249.db2.gz WSLHGBQUCAIUBO-GFCCVEGCSA-N -1 1 285.355 1.816 20 0 CDADMM c1cc(N2CCCC[C@@H]2C2CCC2)nnc1-c1nn[n-]n1 ZINC001607120256 1164103251 /nfs/dbraw/zinc/10/32/51/1164103251.db2.gz WSLHGBQUCAIUBO-GFCCVEGCSA-N -1 1 285.355 1.816 20 0 CDADMM c1cc(NC[C@H]2CC[C@@H](C3CC3)O2)cc(-c2nnn[n-]2)n1 ZINC001607120602 1164103771 /nfs/dbraw/zinc/10/37/71/1164103771.db2.gz FINWVVPMYKXPPU-YPMHNXCESA-N -1 1 286.339 1.053 20 0 CDADMM c1cc(NC[C@H]2CC[C@@H](C3CC3)O2)cc(-c2nn[n-]n2)n1 ZINC001607120602 1164103778 /nfs/dbraw/zinc/10/37/78/1164103778.db2.gz FINWVVPMYKXPPU-YPMHNXCESA-N -1 1 286.339 1.053 20 0 CDADMM c1oc(-c2ccccc2)nc1Cn1cc(-c2nn[n-]n2)nn1 ZINC001607124950 1164107638 /nfs/dbraw/zinc/10/76/38/1164107638.db2.gz JEVFEBLHEXIBEB-UHFFFAOYSA-N -1 1 294.278 1.162 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NC[C@@H]1C[C@H]1C1CCC1 ZINC001607138537 1164119052 /nfs/dbraw/zinc/11/90/52/1164119052.db2.gz HRKOLQJRASXVQA-UWVGGRQHSA-N -1 1 271.328 1.505 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NC[C@@H]1C[C@H]1C1CCC1 ZINC001607138537 1164119057 /nfs/dbraw/zinc/11/90/57/1164119057.db2.gz HRKOLQJRASXVQA-UWVGGRQHSA-N -1 1 271.328 1.505 20 0 CDADMM C[C@H](C(=O)[O-])N(C)Cc1ccn(-c2ccccc2F)n1 ZINC001607451498 1164186739 /nfs/dbraw/zinc/18/67/39/1164186739.db2.gz MNZPFIBZFSDEFG-SNVBAGLBSA-N -1 1 277.299 1.916 20 0 CDADMM C[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccc(OCC(=O)[O-])cc1 ZINC001607463777 1164190565 /nfs/dbraw/zinc/19/05/65/1164190565.db2.gz QWPKQKVVMMJBDG-GWCFXTLKSA-N -1 1 293.319 1.588 20 0 CDADMM Cc1cc(C(=O)N(C)[C@H]2CN3CCC2CC3)oc1C(=O)[O-] ZINC001607568606 1164228207 /nfs/dbraw/zinc/22/82/07/1164228207.db2.gz KBLLITAAUVCVQA-NSHDSACASA-N -1 1 292.335 1.452 20 0 CDADMM Cc1coc(C)c1C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001607918406 1164339607 /nfs/dbraw/zinc/33/96/07/1164339607.db2.gz ROUPJAMBVCJJGZ-NSHDSACASA-N -1 1 294.351 1.517 20 0 CDADMM NC(=O)[C@@H]1c2ccccc2CCN1CC1(CC(=O)[O-])CC1 ZINC001608230000 1164461522 /nfs/dbraw/zinc/46/15/22/1164461522.db2.gz TUSBVJAVUNRBCG-AWEZNQCLSA-N -1 1 288.347 1.326 20 0 CDADMM O=C([O-])C1CN(Cc2cnc3c(F)cccc3c2)C1 ZINC001608645026 1164587390 /nfs/dbraw/zinc/58/73/90/1164587390.db2.gz FGYOBVPXYUCFLY-UHFFFAOYSA-N -1 1 260.268 1.890 20 0 CDADMM O=C([O-])CNC(=O)CCN1CC[C@@H]1c1ccc(F)cc1 ZINC001608751898 1164629366 /nfs/dbraw/zinc/62/93/66/1164629366.db2.gz DEEXQYMPRVGRKZ-GFCCVEGCSA-N -1 1 280.299 1.163 20 0 CDADMM CC(C)C1(CNc2ncncc2-c2nn[n-]n2)CC1 ZINC001609089573 1164765513 /nfs/dbraw/zinc/76/55/13/1164765513.db2.gz CVFRQBIFMFDDFD-UHFFFAOYSA-N -1 1 259.317 1.505 20 0 CDADMM CC(C)c1cc(NC(=O)c2cccc(-c3nnn[n-]3)n2)n[nH]1 ZINC001609104449 1164769785 /nfs/dbraw/zinc/76/97/85/1164769785.db2.gz QVELMXHYMSHPGL-UHFFFAOYSA-N -1 1 298.310 1.361 20 0 CDADMM CC(C)c1cc(NC(=O)c2cccc(-c3nn[n-]n3)n2)n[nH]1 ZINC001609104449 1164769790 /nfs/dbraw/zinc/76/97/90/1164769790.db2.gz QVELMXHYMSHPGL-UHFFFAOYSA-N -1 1 298.310 1.361 20 0 CDADMM Cc1cc(N2CCC=C(C)C2)cc(-c2nnn[n-]2)n1 ZINC001609151970 1164786611 /nfs/dbraw/zinc/78/66/11/1164786611.db2.gz VTEOWFFYMBUGQQ-UHFFFAOYSA-N -1 1 256.313 1.727 20 0 CDADMM Cc1cc(N2CCC=C(C)C2)cc(-c2nn[n-]n2)n1 ZINC001609151970 1164786614 /nfs/dbraw/zinc/78/66/14/1164786614.db2.gz VTEOWFFYMBUGQQ-UHFFFAOYSA-N -1 1 256.313 1.727 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)[C@@H](C)[C@H](C)O1 ZINC001609171567 1164814007 /nfs/dbraw/zinc/81/40/07/1164814007.db2.gz IGVUSGKPWWHHCK-VGMNWLOBSA-N -1 1 291.311 1.098 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)[C@@H](C)[C@H](C)O1 ZINC001609171567 1164814014 /nfs/dbraw/zinc/81/40/14/1164814014.db2.gz IGVUSGKPWWHHCK-VGMNWLOBSA-N -1 1 291.311 1.098 20 0 CDADMM C[C@H]1Oc2ccccc2[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001609178780 1164821553 /nfs/dbraw/zinc/82/15/53/1164821553.db2.gz DPVWIQPHAJJGJZ-OQPBUACISA-N -1 1 295.306 1.591 20 0 CDADMM C[C@H]1Oc2ccccc2[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001609178780 1164821556 /nfs/dbraw/zinc/82/15/56/1164821556.db2.gz DPVWIQPHAJJGJZ-OQPBUACISA-N -1 1 295.306 1.591 20 0 CDADMM CC[C@@H]1CCCN(Cn2cccc(-c3nnn[n-]3)c2=O)C1 ZINC001609200977 1164842586 /nfs/dbraw/zinc/84/25/86/1164842586.db2.gz UHNJZLSQALRRQL-LLVKDONJSA-N -1 1 288.355 1.108 20 0 CDADMM CCC[C@@H](C)NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609204578 1164844956 /nfs/dbraw/zinc/84/49/56/1164844956.db2.gz IEQIABLASKSAEL-MRVPVSSYSA-N -1 1 277.303 1.924 20 0 CDADMM CCC[C@@H](C)NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609204578 1164844962 /nfs/dbraw/zinc/84/49/62/1164844962.db2.gz IEQIABLASKSAEL-MRVPVSSYSA-N -1 1 277.303 1.924 20 0 CDADMM CCO[C@@H]1CCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001609241837 1164864321 /nfs/dbraw/zinc/86/43/21/1164864321.db2.gz YOFMWOIUZSBRBE-PSASIEDQSA-N -1 1 275.316 1.026 20 0 CDADMM CCO[C@@H]1CCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001609241837 1164864327 /nfs/dbraw/zinc/86/43/27/1164864327.db2.gz YOFMWOIUZSBRBE-PSASIEDQSA-N -1 1 275.316 1.026 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC(C)(C)[C@@H]2C2CC2)n1 ZINC001609391536 1164921890 /nfs/dbraw/zinc/92/18/90/1164921890.db2.gz MLQKJOYNGQVZDR-NSHDSACASA-N -1 1 285.355 1.590 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC(C)(C)[C@@H]2C2CC2)n1 ZINC001609391536 1164921897 /nfs/dbraw/zinc/92/18/97/1164921897.db2.gz MLQKJOYNGQVZDR-NSHDSACASA-N -1 1 285.355 1.590 20 0 CDADMM Cc1ccc(Cn2cc(-c3nn[n-]n3)ccc2=O)cc1 ZINC001609424283 1164941247 /nfs/dbraw/zinc/94/12/47/1164941247.db2.gz ZZKLZQIUCQRYLD-UHFFFAOYSA-N -1 1 267.292 1.385 20 0 CDADMM Cc1ccc(NCCOCC2CCC2)nc1-c1nnn[n-]1 ZINC001609426243 1164942300 /nfs/dbraw/zinc/94/23/00/1164942300.db2.gz JYIQSDBLHSWUNQ-UHFFFAOYSA-N -1 1 288.355 1.799 20 0 CDADMM Cc1ccc(NCCOCC2CCC2)nc1-c1nn[n-]n1 ZINC001609426243 1164942304 /nfs/dbraw/zinc/94/23/04/1164942304.db2.gz JYIQSDBLHSWUNQ-UHFFFAOYSA-N -1 1 288.355 1.799 20 0 CDADMM Cc1cccc(CN(C)c2ccc(-c3nnn[n-]3)nn2)c1C ZINC001609431585 1164943624 /nfs/dbraw/zinc/94/36/24/1164943624.db2.gz QLRROOUGBFTUIJ-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1cccc(CN(C)c2ccc(-c3nn[n-]n3)nn2)c1C ZINC001609431585 1164943631 /nfs/dbraw/zinc/94/36/31/1164943631.db2.gz QLRROOUGBFTUIJ-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccccc1CCCn1cnc(-c2nn[n-]n2)cc1=O ZINC001609436361 1164945912 /nfs/dbraw/zinc/94/59/12/1164945912.db2.gz LFTPCHXBRQSAIY-UHFFFAOYSA-N -1 1 296.334 1.365 20 0 CDADMM Cc1ccn(CCCC(C)C)c(=O)c1-c1nn[n-]n1 ZINC001609437357 1164946512 /nfs/dbraw/zinc/94/65/12/1164946512.db2.gz AQWLSNUVSBAUSN-UHFFFAOYSA-N -1 1 261.329 1.773 20 0 CDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CCCC2(C)C)n1 ZINC001609477240 1164968067 /nfs/dbraw/zinc/96/80/67/1164968067.db2.gz IAFMZCUNVYXYPR-VIFPVBQESA-N -1 1 289.343 1.365 20 0 CDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CCCC2(C)C)n1 ZINC001609477240 1164968073 /nfs/dbraw/zinc/96/80/73/1164968073.db2.gz IAFMZCUNVYXYPR-VIFPVBQESA-N -1 1 289.343 1.365 20 0 CDADMM C/C(=C\CN1CC[C@@H](n2cc(Cl)cn2)C1)C(=O)[O-] ZINC001609503752 1164981416 /nfs/dbraw/zinc/98/14/16/1164981416.db2.gz ZCFIMOFKKZVPIC-OEJVIOGHSA-N -1 1 269.732 1.814 20 0 CDADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCCCO1 ZINC001609584822 1164999342 /nfs/dbraw/zinc/99/93/42/1164999342.db2.gz KCRKDXQTRSRRFA-UHFFFAOYSA-N -1 1 265.298 1.096 20 0 CDADMM c1cc(N2CCC[C@H](C3CC3)C2)nnc1-c1nnn[n-]1 ZINC001609614377 1165009863 /nfs/dbraw/zinc/00/98/63/1165009863.db2.gz NCBZJSQNPIVYIB-JTQLQIEISA-N -1 1 271.328 1.283 20 0 CDADMM c1cc(N2CCC[C@H](C3CC3)C2)nnc1-c1nn[n-]n1 ZINC001609614377 1165009869 /nfs/dbraw/zinc/00/98/69/1165009869.db2.gz NCBZJSQNPIVYIB-JTQLQIEISA-N -1 1 271.328 1.283 20 0 CDADMM C[C@@H]1[C@H](C(=O)[O-])CCN1[C@H](C(N)=O)c1ccc(F)cc1 ZINC001609833706 1165103514 /nfs/dbraw/zinc/10/35/14/1165103514.db2.gz MLIRSQNMNXEHBM-FXAINCCUSA-N -1 1 280.299 1.147 20 0 CDADMM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)N1CCN[C@H](C)C1 ZINC001610452561 1165319554 /nfs/dbraw/zinc/31/95/54/1165319554.db2.gz PNWBQZFIGMNNEU-LLVKDONJSA-N -1 1 291.351 1.827 20 0 CDADMM C[C@@H]1C(=O)CC[C@@H](C(=O)Nc2c[n-][nH]c2=O)C1(C)C ZINC001611379364 1165490722 /nfs/dbraw/zinc/49/07/22/1165490722.db2.gz FQFOVYWANNFLMS-SFYZADRCSA-N -1 1 265.313 1.695 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cccc(Oc2cnccn2)c1 ZINC001611378956 1165490977 /nfs/dbraw/zinc/49/09/77/1165490977.db2.gz ADPHBEXOLAWGDI-UHFFFAOYSA-N -1 1 297.274 1.950 20 0 CDADMM COC(=O)C1(NC(=O)c2cc(Cl)ccc2[O-])CC1 ZINC001623236774 1165756580 /nfs/dbraw/zinc/75/65/80/1165756580.db2.gz ZANZOMNWOTYLLE-UHFFFAOYSA-N -1 1 269.684 1.481 20 0 CDADMM Cc1nc2c(cccc2C(=O)Nc2c(C)[n-][nH]c2=O)[nH]1 ZINC001625353910 1165902705 /nfs/dbraw/zinc/90/27/05/1165902705.db2.gz BVPKSNIKIMTVCI-UHFFFAOYSA-N -1 1 271.280 1.861 20 0 CDADMM CCC(CC)(NC(=O)[C@@H](C)C1CCC1)c1nn[n-]n1 ZINC001626909231 1165966343 /nfs/dbraw/zinc/96/63/43/1165966343.db2.gz ZJPPEJURBLTFHJ-VIFPVBQESA-N -1 1 265.361 1.767 20 0 CDADMM Cc1sc(C(=O)Nc2cccn(C)c2=O)nc1[O-] ZINC001627283713 1165988110 /nfs/dbraw/zinc/98/81/10/1165988110.db2.gz PSSNWGUYHPYJES-UHFFFAOYSA-N -1 1 265.294 1.108 20 0 CDADMM O=C(Nc1ncccc1CO)c1cc(F)ccc1[O-] ZINC001631100970 1166250636 /nfs/dbraw/zinc/25/06/36/1166250636.db2.gz HEEYENWFUZBPHZ-UHFFFAOYSA-N -1 1 262.240 1.671 20 0 CDADMM Cc1nn(C)cc1CNC(=O)c1ncc2ccccc2c1[O-] ZINC001632760241 1166374855 /nfs/dbraw/zinc/37/48/55/1166374855.db2.gz FIDHNZWNLUXEQR-UHFFFAOYSA-N -1 1 296.330 1.912 20 0 CDADMM CCCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000095277119 1166615625 /nfs/dbraw/zinc/61/56/25/1166615625.db2.gz BOORFCUYJZSFAJ-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM CCCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000095277119 1166615628 /nfs/dbraw/zinc/61/56/28/1166615628.db2.gz BOORFCUYJZSFAJ-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM O=C(NCc1ccc2oc(=O)[nH]c2c1)c1ccc([O-])cn1 ZINC001637573781 1166770058 /nfs/dbraw/zinc/77/00/58/1166770058.db2.gz OLEKIWXBMOSNEG-UHFFFAOYSA-N -1 1 285.259 1.564 20 0 CDADMM COc1cccn2ncc(C(=O)Nc3ccncc3[O-])c12 ZINC001638304632 1166837539 /nfs/dbraw/zinc/83/75/39/1166837539.db2.gz SQHGMMAIJZEXHF-UHFFFAOYSA-N -1 1 284.275 1.118 20 0 CDADMM CCC(CC)(NC(=O)[C@H]1CC[C@H](C)C1)c1nn[n-]n1 ZINC001640154748 1167000299 /nfs/dbraw/zinc/00/02/99/1167000299.db2.gz HDCYRMKOVSMUDD-UWVGGRQHSA-N -1 1 265.361 1.767 20 0 CDADMM Cc1nocc1[N-]C(=O)c1c(C)oc2nc[nH]c(=O)c21 ZINC001640532079 1167032727 /nfs/dbraw/zinc/03/27/27/1167032727.db2.gz OMSDXQGKYJIKSH-UHFFFAOYSA-N -1 1 274.236 1.786 20 0 CDADMM CO[C@@H]1CC[C@H](C)N(C(=O)c2ccc([O-])cn2)C1 ZINC001151554618 1167079467 /nfs/dbraw/zinc/07/94/67/1167079467.db2.gz LJBXMPGZIPITHQ-GXSJLCMTSA-N -1 1 250.298 1.427 20 0 CDADMM COC1CC(CNC(=O)c2[n-][nH]c3cc(=O)ccc2-3)C1 ZINC001155276692 1167114536 /nfs/dbraw/zinc/11/45/36/1167114536.db2.gz QOUUJAPSHBFNLW-UHFFFAOYSA-N -1 1 275.308 1.423 20 0 CDADMM CCC[C@@H]1C[C@H](C(=O)Nc2c[n-][nH]c2=O)CCO1 ZINC001641600855 1167122401 /nfs/dbraw/zinc/12/24/01/1167122401.db2.gz ICOIARCWFNVUAG-RKDXNWHRSA-N -1 1 253.302 1.649 20 0 CDADMM C[C@@H](C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)n1cncn1 ZINC001641686779 1167129443 /nfs/dbraw/zinc/12/94/43/1167129443.db2.gz QESGHIDRPDEXMN-JTQLQIEISA-N -1 1 298.306 1.369 20 0 CDADMM CCc1nc(CNC(=O)c2ccc([O-])c(F)c2)c[nH]1 ZINC001645212044 1167376246 /nfs/dbraw/zinc/37/62/46/1167376246.db2.gz BAHQJELPBJWUPK-UHFFFAOYSA-N -1 1 263.272 1.747 20 0 CDADMM O=C(COC(=O)[C@@H]1C[C@H]1C1CC1)c1ccc([O-])cc1O ZINC001645594985 1167433240 /nfs/dbraw/zinc/43/32/40/1167433240.db2.gz WWLGLOMEJQXYNX-NWDGAFQWSA-N -1 1 276.288 1.870 20 0 CDADMM O=C(NCc1ccon1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001563130742 1168111047 /nfs/dbraw/zinc/11/10/47/1168111047.db2.gz NDQKVFHRBMCANF-UHFFFAOYSA-N -1 1 299.290 1.888 20 0 CDADMM CCc1n[nH]cc1C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001647948216 1169083636 /nfs/dbraw/zinc/08/36/36/1169083636.db2.gz WXURLUJHHQOCNO-LBPRGKRZSA-N -1 1 297.322 1.005 20 0 CDADMM C[C@@H]1CCCN(C(=O)c2cccc([O-])c2F)[C@@H]1CO ZINC001648193259 1169106074 /nfs/dbraw/zinc/10/60/74/1169106074.db2.gz UFJNMZCZWMGORC-MWLCHTKSSA-N -1 1 267.300 1.764 20 0 CDADMM CS(=O)(=O)c1ccc(CN(CC(=O)[O-])C2CCC2)cc1 ZINC001649868384 1169448973 /nfs/dbraw/zinc/44/89/73/1169448973.db2.gz CKWWCWXMMBWJOH-UHFFFAOYSA-N -1 1 297.376 1.529 20 0 CDADMM Cc1sc(NC(=O)c2ncc(C)cc2O)nc1C(=O)[O-] ZINC001574173114 1170904311 /nfs/dbraw/zinc/90/43/11/1170904311.db2.gz OLXRNFHUJVDUDK-UHFFFAOYSA-N -1 1 293.304 1.811 20 0 CDADMM O=C([O-])[C@@H]1C[C@H]1CN1CCn2cnc(C(F)(F)F)c2C1 ZINC001574396015 1170970216 /nfs/dbraw/zinc/97/02/16/1170970216.db2.gz WIPOSNPHPMFEGD-JGVFFNPUSA-N -1 1 289.257 1.438 20 0 CDADMM Cn1nncc1NC(=O)c1cc2ccccc2cc1[O-] ZINC001652730735 1171469003 /nfs/dbraw/zinc/46/90/03/1171469003.db2.gz GECINDLMTVKOGM-UHFFFAOYSA-N -1 1 268.276 1.926 20 0 CDADMM CCc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)nc1 ZINC001578526196 1171941736 /nfs/dbraw/zinc/94/17/36/1171941736.db2.gz FBXUFJWWHBSLTN-UHFFFAOYSA-N -1 1 295.306 1.471 20 0 CDADMM CCc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)nc1 ZINC001578526196 1171941742 /nfs/dbraw/zinc/94/17/42/1171941742.db2.gz FBXUFJWWHBSLTN-UHFFFAOYSA-N -1 1 295.306 1.471 20 0 CDADMM CN(Cc1ccc(O)cc1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001579253228 1172126356 /nfs/dbraw/zinc/12/63/56/1172126356.db2.gz JJKVJRPZGALOBM-UHFFFAOYSA-N -1 1 299.290 1.438 20 0 CDADMM CN(Cc1ccc(O)cc1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001579253228 1172126360 /nfs/dbraw/zinc/12/63/60/1172126360.db2.gz JJKVJRPZGALOBM-UHFFFAOYSA-N -1 1 299.290 1.438 20 0 CDADMM Cc1[nH]nc(NCc2cccc3c[nH]nc32)c1-c1nn[n-]n1 ZINC001581403512 1172608315 /nfs/dbraw/zinc/60/83/15/1172608315.db2.gz PNXOSBUWFFWBPC-UHFFFAOYSA-N -1 1 295.310 1.387 20 0 CDADMM O=C(Nc1cnn2ccccc12)c1ccc(-c2nn[n-]n2)o1 ZINC001582651107 1172687516 /nfs/dbraw/zinc/68/75/16/1172687516.db2.gz VVZQTLQZIQAQMO-UHFFFAOYSA-N -1 1 295.262 1.360 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1cc(F)cc(F)c1 ZINC001582806941 1172691826 /nfs/dbraw/zinc/69/18/26/1172691826.db2.gz XXXSKFMSYINNPW-UHFFFAOYSA-N -1 1 289.245 1.355 20 0 CDADMM Oc1ccc(CNc2cncc(-c3nnn[n-]3)n2)cc1F ZINC001582816923 1172697447 /nfs/dbraw/zinc/69/74/47/1172697447.db2.gz URCSHRBCHZUKOJ-UHFFFAOYSA-N -1 1 287.258 1.114 20 0 CDADMM Oc1ccc(CNc2cncc(-c3nn[n-]n3)n2)cc1F ZINC001582816923 1172697451 /nfs/dbraw/zinc/69/74/51/1172697451.db2.gz URCSHRBCHZUKOJ-UHFFFAOYSA-N -1 1 287.258 1.114 20 0 CDADMM COC(=O)c1nc[nH]c1NC(=O)c1cccc2ccncc21 ZINC001587268135 1172979423 /nfs/dbraw/zinc/97/94/23/1172979423.db2.gz CONRTTNZILHLLP-UHFFFAOYSA-N -1 1 296.286 1.997 20 0 CDADMM CC(C)CCOCCOC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589606996 1173163618 /nfs/dbraw/zinc/16/36/18/1173163618.db2.gz NHIKZMOGCVHMRW-UHFFFAOYSA-N -1 1 294.311 1.679 20 0 CDADMM CC(C)CCOCCOC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589606996 1173163623 /nfs/dbraw/zinc/16/36/23/1173163623.db2.gz NHIKZMOGCVHMRW-UHFFFAOYSA-N -1 1 294.311 1.679 20 0 CDADMM CC(C)n1ccnc1Sc1cnc(-c2nnn[n-]2)cn1 ZINC001589783276 1173180133 /nfs/dbraw/zinc/18/01/33/1173180133.db2.gz GSHUZPGPEFVKEH-UHFFFAOYSA-N -1 1 288.340 1.585 20 0 CDADMM C[C@H](CO)CSCc1ccc(-c2nn[n-]n2)s1 ZINC001589881870 1173196584 /nfs/dbraw/zinc/19/65/84/1173196584.db2.gz FTRJVJSJSNDBPF-SSDOTTSWSA-N -1 1 270.383 1.790 20 0 CDADMM CC1(C)CC[C@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001590088956 1173251485 /nfs/dbraw/zinc/25/14/85/1173251485.db2.gz LSPFQHRUNVNUPB-ZETCQYMHSA-N -1 1 275.316 1.355 20 0 CDADMM CC1(C)CC[C@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001590088956 1173251496 /nfs/dbraw/zinc/25/14/96/1173251496.db2.gz LSPFQHRUNVNUPB-ZETCQYMHSA-N -1 1 275.316 1.355 20 0 CDADMM CC1(C)C[C@H](OC(=O)c2csc(-c3nnn[n-]3)c2)CO1 ZINC001590084264 1173251883 /nfs/dbraw/zinc/25/18/83/1173251883.db2.gz AFTGVHDNCPLASB-QMMMGPOBSA-N -1 1 294.336 1.653 20 0 CDADMM CC1(C)C[C@H](OC(=O)c2csc(-c3nn[n-]n3)c2)CO1 ZINC001590084264 1173251889 /nfs/dbraw/zinc/25/18/89/1173251889.db2.gz AFTGVHDNCPLASB-QMMMGPOBSA-N -1 1 294.336 1.653 20 0 CDADMM CC1=CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)CC1 ZINC001590162024 1173278384 /nfs/dbraw/zinc/27/83/84/1173278384.db2.gz SFDFADKCWXIJCC-UHFFFAOYSA-N -1 1 283.339 1.691 20 0 CDADMM CC1=CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)CC1 ZINC001590162024 1173278388 /nfs/dbraw/zinc/27/83/88/1173278388.db2.gz SFDFADKCWXIJCC-UHFFFAOYSA-N -1 1 283.339 1.691 20 0 CDADMM C[C@@H]1CC(Nc2cc(-c3nnn[n-]3)ncn2)C[C@@H](C)O1 ZINC001590208966 1173294131 /nfs/dbraw/zinc/29/41/31/1173294131.db2.gz YRLVDASXZZURQL-HTQZYQBOSA-N -1 1 275.316 1.025 20 0 CDADMM C[C@@H]1CC(Nc2cc(-c3nn[n-]n3)ncn2)C[C@@H](C)O1 ZINC001590208966 1173294137 /nfs/dbraw/zinc/29/41/37/1173294137.db2.gz YRLVDASXZZURQL-HTQZYQBOSA-N -1 1 275.316 1.025 20 0 CDADMM C[C@H]1C[C@@H]1c1ccc(CNc2cnc(-c3nnn[n-]3)cn2)o1 ZINC001590217206 1173298886 /nfs/dbraw/zinc/29/88/86/1173298886.db2.gz AICBGROZBPOMCA-WPRPVWTQSA-N -1 1 297.322 1.985 20 0 CDADMM C[C@H]1C[C@@H]1c1ccc(CNc2cnc(-c3nn[n-]n3)cn2)o1 ZINC001590217206 1173298892 /nfs/dbraw/zinc/29/88/92/1173298892.db2.gz AICBGROZBPOMCA-WPRPVWTQSA-N -1 1 297.322 1.985 20 0 CDADMM C[C@H]1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)O1 ZINC001590230136 1173307949 /nfs/dbraw/zinc/30/79/49/1173307949.db2.gz KROACPVHWWHEDE-YUMQZZPRSA-N -1 1 293.352 1.226 20 0 CDADMM C[C@H]1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)O1 ZINC001590230136 1173307953 /nfs/dbraw/zinc/30/79/53/1173307953.db2.gz KROACPVHWWHEDE-YUMQZZPRSA-N -1 1 293.352 1.226 20 0 CDADMM C[C@@H]1CC[C@@]2(CCN(c3cc(-c4nnn[n-]4)ncn3)C2)C1 ZINC001590240354 1173315138 /nfs/dbraw/zinc/31/51/38/1173315138.db2.gz MRBACLGATVRWPQ-QMTHXVAHSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@@H]1CC[C@@]2(CCN(c3cc(-c4nn[n-]n4)ncn3)C2)C1 ZINC001590240354 1173315145 /nfs/dbraw/zinc/31/51/45/1173315145.db2.gz MRBACLGATVRWPQ-QMTHXVAHSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@@H]1CCC[C@@H](C2CN(c3cc(-c4nnn[n-]4)ncn3)C2)C1 ZINC001590244669 1173315813 /nfs/dbraw/zinc/31/58/13/1173315813.db2.gz UAMWAMUXSQRWPV-GHMZBOCLSA-N -1 1 299.382 1.919 20 0 CDADMM C[C@@H]1CCC[C@@H](C2CN(c3cc(-c4nn[n-]n4)ncn3)C2)C1 ZINC001590244669 1173315821 /nfs/dbraw/zinc/31/58/21/1173315821.db2.gz UAMWAMUXSQRWPV-GHMZBOCLSA-N -1 1 299.382 1.919 20 0 CDADMM C[C@@H]1CCCC[C@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001590256147 1173322345 /nfs/dbraw/zinc/32/23/45/1173322345.db2.gz ZRPXQMXISWSIMJ-RKDXNWHRSA-N -1 1 259.317 1.647 20 0 CDADMM CC1CN(c2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)C1 ZINC001590311295 1173348295 /nfs/dbraw/zinc/34/82/95/1173348295.db2.gz BUGYSCYXQCZUAY-UHFFFAOYSA-N -1 1 284.245 1.737 20 0 CDADMM CC1CN(c2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)C1 ZINC001590311295 1173348300 /nfs/dbraw/zinc/34/83/00/1173348300.db2.gz BUGYSCYXQCZUAY-UHFFFAOYSA-N -1 1 284.245 1.737 20 0 CDADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)Cc2cncnc21 ZINC001590314995 1173351774 /nfs/dbraw/zinc/35/17/74/1173351774.db2.gz KPDIQKLOZQFAQI-SECBINFHSA-N -1 1 294.322 1.175 20 0 CDADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)Cc2cncnc21 ZINC001590314995 1173351784 /nfs/dbraw/zinc/35/17/84/1173351784.db2.gz KPDIQKLOZQFAQI-SECBINFHSA-N -1 1 294.322 1.175 20 0 CDADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1c1ccccc1 ZINC001590315493 1173352334 /nfs/dbraw/zinc/35/23/34/1173352334.db2.gz MSEPJQQVYCSHOV-MFKMUULPSA-N -1 1 293.334 1.854 20 0 CDADMM CC[C@@H](C)[C@](C)(O)CNc1nc(-c2nn[n-]n2)ccc1C ZINC001590395786 1173386533 /nfs/dbraw/zinc/38/65/33/1173386533.db2.gz DJNRUWURIRDYGN-QMTHXVAHSA-N -1 1 290.371 1.779 20 0 CDADMM CCC1(C)CN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590490362 1173430275 /nfs/dbraw/zinc/43/02/75/1173430275.db2.gz LCYYJUIDGVKCNW-UHFFFAOYSA-N -1 1 272.312 1.134 20 0 CDADMM CCC1(C)CN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590490362 1173430278 /nfs/dbraw/zinc/43/02/78/1173430278.db2.gz LCYYJUIDGVKCNW-UHFFFAOYSA-N -1 1 272.312 1.134 20 0 CDADMM CCC1(CNC(=O)c2ccc(-c3nnn[n-]3)o2)CCC1 ZINC001590495233 1173434673 /nfs/dbraw/zinc/43/46/73/1173434673.db2.gz BCDSTZYPDJSPTR-UHFFFAOYSA-N -1 1 275.312 1.770 20 0 CDADMM CCC1(CNC(=O)c2ccc(-c3nn[n-]n3)o2)CCC1 ZINC001590495233 1173434678 /nfs/dbraw/zinc/43/46/78/1173434678.db2.gz BCDSTZYPDJSPTR-UHFFFAOYSA-N -1 1 275.312 1.770 20 0 CDADMM CCC1(O)CCC(Nc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590499721 1173437836 /nfs/dbraw/zinc/43/78/36/1173437836.db2.gz HAZOLNDCGABOND-UHFFFAOYSA-N -1 1 288.355 1.179 20 0 CDADMM CCC1(O)CCC(Nc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590499721 1173437840 /nfs/dbraw/zinc/43/78/40/1173437840.db2.gz HAZOLNDCGABOND-UHFFFAOYSA-N -1 1 288.355 1.179 20 0 CDADMM CC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001590515223 1173447270 /nfs/dbraw/zinc/44/72/70/1173447270.db2.gz ZKOSRYLGBVFEGY-IUCAKERBSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001590515223 1173447275 /nfs/dbraw/zinc/44/72/75/1173447275.db2.gz ZKOSRYLGBVFEGY-IUCAKERBSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@H]1COC(C)(C)CN1c1cc(-c2nnn[n-]2)ncn1 ZINC001590521572 1173449939 /nfs/dbraw/zinc/44/99/39/1173449939.db2.gz BRXFOSWUIVMUTO-VIFPVBQESA-N -1 1 289.343 1.051 20 0 CDADMM CC[C@H]1COC(C)(C)CN1c1cc(-c2nn[n-]n2)ncn1 ZINC001590521572 1173449944 /nfs/dbraw/zinc/44/99/44/1173449944.db2.gz BRXFOSWUIVMUTO-VIFPVBQESA-N -1 1 289.343 1.051 20 0 CDADMM CCC[C@H](CCO)CNc1ccc(C)nc1-c1nnn[n-]1 ZINC001590556779 1173459553 /nfs/dbraw/zinc/45/95/53/1173459553.db2.gz XUILHMQKZHPIKR-LLVKDONJSA-N -1 1 290.371 1.781 20 0 CDADMM CCC[C@H](CCO)CNc1ccc(C)nc1-c1nn[n-]n1 ZINC001590556779 1173459561 /nfs/dbraw/zinc/45/95/61/1173459561.db2.gz XUILHMQKZHPIKR-LLVKDONJSA-N -1 1 290.371 1.781 20 0 CDADMM CCC[C@H]1CCCN1c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001590571637 1173465712 /nfs/dbraw/zinc/46/57/12/1173465712.db2.gz GXXZGTXATSNPPZ-JTQLQIEISA-N -1 1 273.344 1.734 20 0 CDADMM CCC[C@H]1CCCN1c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001590571637 1173465718 /nfs/dbraw/zinc/46/57/18/1173465718.db2.gz GXXZGTXATSNPPZ-JTQLQIEISA-N -1 1 273.344 1.734 20 0 CDADMM CCCCC(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001590570963 1173465772 /nfs/dbraw/zinc/46/57/72/1173465772.db2.gz UUSNXFXNZKUSAR-UHFFFAOYSA-N -1 1 260.301 1.415 20 0 CDADMM CCCCC(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001590570963 1173465776 /nfs/dbraw/zinc/46/57/76/1173465776.db2.gz UUSNXFXNZKUSAR-UHFFFAOYSA-N -1 1 260.301 1.415 20 0 CDADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC001590673367 1173487616 /nfs/dbraw/zinc/48/76/16/1173487616.db2.gz GVDJUWJNYNDICW-UHFFFAOYSA-N -1 1 274.328 1.522 20 0 CDADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001590673367 1173487622 /nfs/dbraw/zinc/48/76/22/1173487622.db2.gz GVDJUWJNYNDICW-UHFFFAOYSA-N -1 1 274.328 1.522 20 0 CDADMM CCN(CC1CC1)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590690153 1173492357 /nfs/dbraw/zinc/49/23/57/1173492357.db2.gz IHYZEXCPVLVXQA-UHFFFAOYSA-N -1 1 286.339 1.063 20 0 CDADMM CCN(CC1CC1)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590690153 1173492361 /nfs/dbraw/zinc/49/23/61/1173492361.db2.gz IHYZEXCPVLVXQA-UHFFFAOYSA-N -1 1 286.339 1.063 20 0 CDADMM CCN(Cc1ccc(C)cc1)c1cncc(-c2nnn[n-]2)n1 ZINC001590719069 1173497855 /nfs/dbraw/zinc/49/78/55/1173497855.db2.gz GKEJRSAVUVIYHK-UHFFFAOYSA-N -1 1 295.350 1.992 20 0 CDADMM CCN(Cc1ccc(C)cc1)c1cncc(-c2nn[n-]n2)n1 ZINC001590719069 1173497863 /nfs/dbraw/zinc/49/78/63/1173497863.db2.gz GKEJRSAVUVIYHK-UHFFFAOYSA-N -1 1 295.350 1.992 20 0 CDADMM CCN(CCSC)c1snc(C)c1-c1nn[n-]n1 ZINC001590718770 1173500489 /nfs/dbraw/zinc/50/04/89/1173500489.db2.gz QVZGBLKXMGAEHJ-UHFFFAOYSA-N -1 1 284.414 1.821 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC(C)=C[C@H](C)C2)n1 ZINC001590905331 1173538147 /nfs/dbraw/zinc/53/81/47/1173538147.db2.gz UXNBKFDKWWIQKV-VIFPVBQESA-N -1 1 285.355 1.622 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC(C)=C[C@H](C)C2)n1 ZINC001590905331 1173538152 /nfs/dbraw/zinc/53/81/52/1173538152.db2.gz UXNBKFDKWWIQKV-VIFPVBQESA-N -1 1 285.355 1.622 20 0 CDADMM CCc1nc(N[C@@H]2CCCC23CC3)cc(-c2nnn[n-]2)n1 ZINC001590917782 1173545274 /nfs/dbraw/zinc/54/52/74/1173545274.db2.gz YIOVPDYDUQKCCS-SNVBAGLBSA-N -1 1 285.355 1.964 20 0 CDADMM CCc1nc(N[C@@H]2CCCC23CC3)cc(-c2nn[n-]n2)n1 ZINC001590917782 1173545280 /nfs/dbraw/zinc/54/52/80/1173545280.db2.gz YIOVPDYDUQKCCS-SNVBAGLBSA-N -1 1 285.355 1.964 20 0 CDADMM CN(CCc1ccccc1F)c1cnc(-c2nnn[n-]2)cn1 ZINC001591122509 1173575221 /nfs/dbraw/zinc/57/52/21/1173575221.db2.gz TZCXZPZABFUVPR-UHFFFAOYSA-N -1 1 299.313 1.475 20 0 CDADMM CN(CCc1ccccc1F)c1cnc(-c2nn[n-]n2)cn1 ZINC001591122509 1173575228 /nfs/dbraw/zinc/57/52/28/1173575228.db2.gz TZCXZPZABFUVPR-UHFFFAOYSA-N -1 1 299.313 1.475 20 0 CDADMM CN(Cc1ccc(-c2nnn[n-]2)o1)C1(C(F)(F)F)CC1 ZINC001591136473 1173577905 /nfs/dbraw/zinc/57/79/05/1173577905.db2.gz CLTSQAQFDKBAIS-UHFFFAOYSA-N -1 1 287.245 1.986 20 0 CDADMM CN(Cc1ccc(-c2nn[n-]n2)o1)C1(C(F)(F)F)CC1 ZINC001591136473 1173577910 /nfs/dbraw/zinc/57/79/10/1173577910.db2.gz CLTSQAQFDKBAIS-UHFFFAOYSA-N -1 1 287.245 1.986 20 0 CDADMM CN(Cc1csc(-c2nn[n-]n2)c1)Cc1nccn1C ZINC001591151692 1173581572 /nfs/dbraw/zinc/58/15/72/1173581572.db2.gz ZMBVEUOIKZSDMN-UHFFFAOYSA-N -1 1 289.368 1.294 20 0 CDADMM COC1(CCNc2ccc(C)c(-c3nnn[n-]3)n2)CCC1 ZINC001591341002 1173617815 /nfs/dbraw/zinc/61/78/15/1173617815.db2.gz HEYXZNFIPNZVQI-UHFFFAOYSA-N -1 1 288.355 1.941 20 0 CDADMM COC1(CCNc2ccc(C)c(-c3nn[n-]n3)n2)CCC1 ZINC001591341002 1173617818 /nfs/dbraw/zinc/61/78/18/1173617818.db2.gz HEYXZNFIPNZVQI-UHFFFAOYSA-N -1 1 288.355 1.941 20 0 CDADMM CO[C@@H]1[C@@H](C)[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1(C)C ZINC001591346545 1173620718 /nfs/dbraw/zinc/62/07/18/1173620718.db2.gz WTVVFAFBGGEDLD-WHGOUJPWSA-N -1 1 289.343 1.128 20 0 CDADMM CO[C@@H]1[C@@H](C)[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1(C)C ZINC001591346545 1173620720 /nfs/dbraw/zinc/62/07/20/1173620720.db2.gz WTVVFAFBGGEDLD-WHGOUJPWSA-N -1 1 289.343 1.128 20 0 CDADMM CO[C@H]1C[C@@H](Nc2ccc(C)nc2-c2nnn[n-]2)C1(C)C ZINC001591349001 1173622986 /nfs/dbraw/zinc/62/29/86/1173622986.db2.gz BWUXUJWKHSWJEF-MNOVXSKESA-N -1 1 288.355 1.796 20 0 CDADMM CO[C@H]1C[C@@H](Nc2ccc(C)nc2-c2nn[n-]n2)C1(C)C ZINC001591349001 1173622991 /nfs/dbraw/zinc/62/29/91/1173622991.db2.gz BWUXUJWKHSWJEF-MNOVXSKESA-N -1 1 288.355 1.796 20 0 CDADMM COCC(C)(C)CCNc1ncncc1-c1nn[n-]n1 ZINC001591369779 1173634223 /nfs/dbraw/zinc/63/42/23/1173634223.db2.gz XTPBYYYTFIESFU-UHFFFAOYSA-N -1 1 277.332 1.131 20 0 CDADMM COc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001591618996 1173677295 /nfs/dbraw/zinc/67/72/95/1173677295.db2.gz DWQUILDHXPIHDD-UHFFFAOYSA-N -1 1 286.247 1.688 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C)CCC[C@H]2C)n1 ZINC001591883754 1173734584 /nfs/dbraw/zinc/73/45/84/1173734584.db2.gz FBQQVUFCTFXCBW-GXSJLCMTSA-N -1 1 287.371 1.980 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C)CCC[C@H]2C)n1 ZINC001591883754 1173734590 /nfs/dbraw/zinc/73/45/90/1173734590.db2.gz FBQQVUFCTFXCBW-GXSJLCMTSA-N -1 1 287.371 1.980 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCC[C@H](C)C2)n1 ZINC001591882655 1173734705 /nfs/dbraw/zinc/73/47/05/1173734705.db2.gz OOIZIGRXFHAGFI-ONGXEEELSA-N -1 1 287.371 1.980 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCC[C@H](C)C2)n1 ZINC001591882655 1173734709 /nfs/dbraw/zinc/73/47/09/1173734709.db2.gz OOIZIGRXFHAGFI-ONGXEEELSA-N -1 1 287.371 1.980 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)COCC2CC2)n1 ZINC001591890851 1173739916 /nfs/dbraw/zinc/73/99/16/1173739916.db2.gz HARWBRLDTNRTPG-VIFPVBQESA-N -1 1 289.343 1.192 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)COCC2CC2)n1 ZINC001591890851 1173739922 /nfs/dbraw/zinc/73/99/22/1173739922.db2.gz HARWBRLDTNRTPG-VIFPVBQESA-N -1 1 289.343 1.192 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](CF)C2)c1 ZINC001591886403 1173740168 /nfs/dbraw/zinc/74/01/68/1173740168.db2.gz VWLGOEFVONWYCY-SECBINFHSA-N -1 1 262.292 1.366 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC001591894921 1173740562 /nfs/dbraw/zinc/74/05/62/1173740562.db2.gz GMNOFUQWMWTTAU-OUAUKWLOSA-N -1 1 285.355 1.813 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC001591894921 1173740569 /nfs/dbraw/zinc/74/05/69/1173740569.db2.gz GMNOFUQWMWTTAU-OUAUKWLOSA-N -1 1 285.355 1.813 20 0 CDADMM Cc1cc(C)cc(CN(C)c2cc(-c3nnn[n-]3)ncn2)c1 ZINC001591951097 1173751742 /nfs/dbraw/zinc/75/17/42/1173751742.db2.gz IXPNFRAPTYNRQL-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1cc(C)cc(CN(C)c2cc(-c3nn[n-]n3)ncn2)c1 ZINC001591951097 1173751749 /nfs/dbraw/zinc/75/17/49/1173751749.db2.gz IXPNFRAPTYNRQL-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1cc(C)nc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001591957703 1173754313 /nfs/dbraw/zinc/75/43/13/1173754313.db2.gz AYPOTXCUZZCOHZ-UHFFFAOYSA-N -1 1 284.279 1.724 20 0 CDADMM Cc1cc(CNc2nc(-c3nn[n-]n3)ccc2C)n(C)n1 ZINC001591970314 1173763117 /nfs/dbraw/zinc/76/31/17/1173763117.db2.gz CVMVQKRVHKUEIK-UHFFFAOYSA-N -1 1 284.327 1.224 20 0 CDADMM Cc1cc(NCC2CCOCC2)nc(-c2nnn[n-]2)c1 ZINC001592045013 1173784321 /nfs/dbraw/zinc/78/43/21/1173784321.db2.gz LYKOACISNJQBSP-UHFFFAOYSA-N -1 1 274.328 1.409 20 0 CDADMM Cc1cc(NCC2CCOCC2)nc(-c2nn[n-]n2)c1 ZINC001592045013 1173784325 /nfs/dbraw/zinc/78/43/25/1173784325.db2.gz LYKOACISNJQBSP-UHFFFAOYSA-N -1 1 274.328 1.409 20 0 CDADMM Cc1cc(Nc2cncc(-c3nnn[n-]3)n2)ccc1F ZINC001592057053 1173788551 /nfs/dbraw/zinc/78/85/51/1173788551.db2.gz NAUPERNGPUVJJS-UHFFFAOYSA-N -1 1 271.259 1.848 20 0 CDADMM Cc1cc(Nc2cncc(-c3nn[n-]n3)n2)ccc1F ZINC001592057053 1173788556 /nfs/dbraw/zinc/78/85/56/1173788556.db2.gz NAUPERNGPUVJJS-UHFFFAOYSA-N -1 1 271.259 1.848 20 0 CDADMM Cc1cc(O)ccc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592056746 1173789019 /nfs/dbraw/zinc/78/90/19/1173789019.db2.gz TYIYSFKMCFVXLV-UHFFFAOYSA-N -1 1 285.263 1.726 20 0 CDADMM Cc1cc(CCNc2nc(-c3nn[n-]n3)ccc2C)nn1C ZINC001592112355 1173801246 /nfs/dbraw/zinc/80/12/46/1173801246.db2.gz HLMFJVGJAVWVFV-UHFFFAOYSA-N -1 1 298.354 1.267 20 0 CDADMM Cc1ccc(NC[C@@]2(C)CCCCO2)nc1-c1nnn[n-]1 ZINC001592183101 1173825497 /nfs/dbraw/zinc/82/54/97/1173825497.db2.gz MAWKUKDIFMMYMH-CQSZACIVSA-N -1 1 288.355 1.941 20 0 CDADMM Cc1ccc(NC[C@@]2(C)CCCCO2)nc1-c1nn[n-]n1 ZINC001592183101 1173825501 /nfs/dbraw/zinc/82/55/01/1173825501.db2.gz MAWKUKDIFMMYMH-CQSZACIVSA-N -1 1 288.355 1.941 20 0 CDADMM Cc1cnc(CSc2cccnc2-c2nnn[n-]2)nc1 ZINC001592295257 1173849882 /nfs/dbraw/zinc/84/98/82/1173849882.db2.gz WXSFMJBOIDGAKB-UHFFFAOYSA-N -1 1 285.336 1.652 20 0 CDADMM Cc1cnc(CSc2cccnc2-c2nn[n-]n2)nc1 ZINC001592295257 1173849889 /nfs/dbraw/zinc/84/98/89/1173849889.db2.gz WXSFMJBOIDGAKB-UHFFFAOYSA-N -1 1 285.336 1.652 20 0 CDADMM Cc1csc(Sc2cncc(-c3nnn[n-]3)n2)n1 ZINC001592323942 1173853786 /nfs/dbraw/zinc/85/37/86/1173853786.db2.gz LDANRRUJFKITKY-UHFFFAOYSA-N -1 1 277.338 1.573 20 0 CDADMM Cc1csc(Sc2cncc(-c3nn[n-]n3)n2)n1 ZINC001592323942 1173853788 /nfs/dbraw/zinc/85/37/88/1173853788.db2.gz LDANRRUJFKITKY-UHFFFAOYSA-N -1 1 277.338 1.573 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(CCC2SCCS2)c1C ZINC001592339583 1173861425 /nfs/dbraw/zinc/86/14/25/1173861425.db2.gz PRZZEOPASFBFDO-UHFFFAOYSA-N -1 1 296.425 1.876 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCS[C@@H](C)CC2)n1 ZINC001592340194 1173861720 /nfs/dbraw/zinc/86/17/20/1173861720.db2.gz DTQUKHNUHGKRCB-QMMMGPOBSA-N -1 1 291.384 1.297 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCS[C@@H](C)CC2)n1 ZINC001592340194 1173861723 /nfs/dbraw/zinc/86/17/23/1173861723.db2.gz DTQUKHNUHGKRCB-QMMMGPOBSA-N -1 1 291.384 1.297 20 0 CDADMM Cc1nc(C)c(CNc2snc(C)c2-c2nn[n-]n2)o1 ZINC001592357814 1173866871 /nfs/dbraw/zinc/86/68/71/1173866871.db2.gz ZIKAEAJZXIKOTE-UHFFFAOYSA-N -1 1 291.340 1.849 20 0 CDADMM Cc1nc(Cl)n(Cc2ccc(-c3nnn[n-]3)o2)n1 ZINC001592362930 1173868851 /nfs/dbraw/zinc/86/88/51/1173868851.db2.gz KCBRTUQROILLBG-UHFFFAOYSA-N -1 1 265.664 1.061 20 0 CDADMM Cc1nc(Cl)n(Cc2ccc(-c3nn[n-]n3)o2)n1 ZINC001592362930 1173868853 /nfs/dbraw/zinc/86/88/53/1173868853.db2.gz KCBRTUQROILLBG-UHFFFAOYSA-N -1 1 265.664 1.061 20 0 CDADMM Cc1[nH]c(=NOCCOC(C)C)ccc1-c1nn[n-]n1 ZINC001592393952 1173879298 /nfs/dbraw/zinc/87/92/98/1173879298.db2.gz JPERHFPROLUAPY-UHFFFAOYSA-N -1 1 278.316 1.339 20 0 CDADMM Cc1ncsc1CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001592426425 1173888888 /nfs/dbraw/zinc/88/88/88/1173888888.db2.gz YHLOSOZVPWGFBI-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1ncsc1CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001592426425 1173888892 /nfs/dbraw/zinc/88/88/92/1173888892.db2.gz YHLOSOZVPWGFBI-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1ncsc1CCn1ccc(-c2nn[n-]n2)cc1=O ZINC001592425013 1173888987 /nfs/dbraw/zinc/88/89/87/1173888987.db2.gz NVIYHGGGZPLIIS-UHFFFAOYSA-N -1 1 288.336 1.036 20 0 CDADMM Cc1nsc(S[C@@H]2CCO[C@H]2C)c1-c1nnn[n-]1 ZINC001592494105 1173904323 /nfs/dbraw/zinc/90/43/23/1173904323.db2.gz BZXKTOKYSIMOCU-NKWVEPMBSA-N -1 1 283.382 1.901 20 0 CDADMM Cc1nsc(S[C@@H]2CCO[C@H]2C)c1-c1nn[n-]n1 ZINC001592494105 1173904330 /nfs/dbraw/zinc/90/43/30/1173904330.db2.gz BZXKTOKYSIMOCU-NKWVEPMBSA-N -1 1 283.382 1.901 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCO[C@H](C)[C@H]1C ZINC001592499180 1173905836 /nfs/dbraw/zinc/90/58/36/1173905836.db2.gz IQQNEWSMWCRRAJ-HTQZYQBOSA-N -1 1 291.311 1.018 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCO[C@H](C)[C@H]1C ZINC001592499180 1173905842 /nfs/dbraw/zinc/90/58/42/1173905842.db2.gz IQQNEWSMWCRRAJ-HTQZYQBOSA-N -1 1 291.311 1.018 20 0 CDADMM Clc1ccc(N2CCCCCO2)nc1-c1nnn[n-]1 ZINC001592532385 1173913404 /nfs/dbraw/zinc/91/34/04/1173913404.db2.gz OKULSCKENFTQAZ-UHFFFAOYSA-N -1 1 280.719 1.837 20 0 CDADMM Clc1ccc(N2CCCCCO2)nc1-c1nn[n-]n1 ZINC001592532385 1173913409 /nfs/dbraw/zinc/91/34/09/1173913409.db2.gz OKULSCKENFTQAZ-UHFFFAOYSA-N -1 1 280.719 1.837 20 0 CDADMM Clc1ccc(SC2COC2)nc1-c1nnn[n-]1 ZINC001592533284 1173913742 /nfs/dbraw/zinc/91/37/42/1173913742.db2.gz PMLYYJUCMMSIFW-UHFFFAOYSA-N -1 1 269.717 1.406 20 0 CDADMM Clc1ccc(SC2COC2)nc1-c1nn[n-]n1 ZINC001592533284 1173913745 /nfs/dbraw/zinc/91/37/45/1173913745.db2.gz PMLYYJUCMMSIFW-UHFFFAOYSA-N -1 1 269.717 1.406 20 0 CDADMM Clc1nc(N2CC[C@H]2C2CC2)sc1-c1nnn[n-]1 ZINC001592541464 1173915283 /nfs/dbraw/zinc/91/52/83/1173915283.db2.gz ZFJPCMYYLMTKCV-LURJTMIESA-N -1 1 282.760 1.965 20 0 CDADMM Clc1nc(N2CC[C@H]2C2CC2)sc1-c1nn[n-]n1 ZINC001592541464 1173915287 /nfs/dbraw/zinc/91/52/87/1173915287.db2.gz ZFJPCMYYLMTKCV-LURJTMIESA-N -1 1 282.760 1.965 20 0 CDADMM Clc1nc(NCC2CC2)sc1-c1nnn[n-]1 ZINC001592540565 1173916291 /nfs/dbraw/zinc/91/62/91/1173916291.db2.gz MIOXYHPVUZHRNS-UHFFFAOYSA-N -1 1 256.722 1.799 20 0 CDADMM Clc1nc(NCC2CC2)sc1-c1nn[n-]n1 ZINC001592540565 1173916296 /nfs/dbraw/zinc/91/62/96/1173916296.db2.gz MIOXYHPVUZHRNS-UHFFFAOYSA-N -1 1 256.722 1.799 20 0 CDADMM FCCn1ccc(NCc2ccc(-c3nnn[n-]3)o2)n1 ZINC001592629529 1173938856 /nfs/dbraw/zinc/93/88/56/1173938856.db2.gz HNXXZCNEWVCWBM-UHFFFAOYSA-N -1 1 277.263 1.238 20 0 CDADMM FCCn1ccc(NCc2ccc(-c3nn[n-]n3)o2)n1 ZINC001592629529 1173938860 /nfs/dbraw/zinc/93/88/60/1173938860.db2.gz HNXXZCNEWVCWBM-UHFFFAOYSA-N -1 1 277.263 1.238 20 0 CDADMM O=C(C[C@@H]1CC[C@H]2C[C@H]21)OCc1ccc(-c2nnn[n-]2)o1 ZINC001592819975 1173995154 /nfs/dbraw/zinc/99/51/54/1173995154.db2.gz DWIWSNHWXKSCIZ-ATZCPNFKSA-N -1 1 288.307 1.939 20 0 CDADMM O=C(C[C@@H]1CC[C@H]2C[C@H]21)OCc1ccc(-c2nn[n-]n2)o1 ZINC001592819975 1173995156 /nfs/dbraw/zinc/99/51/56/1173995156.db2.gz DWIWSNHWXKSCIZ-ATZCPNFKSA-N -1 1 288.307 1.939 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCCCCF ZINC001592915400 1174002503 /nfs/dbraw/zinc/00/25/03/1174002503.db2.gz UAIUPYHLQRQPOH-UHFFFAOYSA-N -1 1 279.275 1.097 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCCCCF ZINC001592915400 1174002510 /nfs/dbraw/zinc/00/25/10/1174002510.db2.gz UAIUPYHLQRQPOH-UHFFFAOYSA-N -1 1 279.275 1.097 20 0 CDADMM O=C(NCC1CCCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593032455 1174015968 /nfs/dbraw/zinc/01/59/68/1174015968.db2.gz XLHQVDQQQUAPIU-UHFFFAOYSA-N -1 1 289.314 1.926 20 0 CDADMM O=C(NCC1CCCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593032455 1174015974 /nfs/dbraw/zinc/01/59/74/1174015974.db2.gz XLHQVDQQQUAPIU-UHFFFAOYSA-N -1 1 289.314 1.926 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cc[nH]c1C1CC1 ZINC001593197062 1174033045 /nfs/dbraw/zinc/03/30/45/1174033045.db2.gz FIXJXNPHDBYXAM-UHFFFAOYSA-N -1 1 284.283 1.048 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc[nH]c1C1CC1 ZINC001593197062 1174033052 /nfs/dbraw/zinc/03/30/52/1174033052.db2.gz FIXJXNPHDBYXAM-UHFFFAOYSA-N -1 1 284.283 1.048 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C1(F)CCCC1 ZINC001593244538 1174039997 /nfs/dbraw/zinc/03/99/97/1174039997.db2.gz ZTONQPFWEDKHJN-UHFFFAOYSA-N -1 1 276.275 1.483 20 0 CDADMM O=C([O-])[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001593279249 1174049318 /nfs/dbraw/zinc/04/93/18/1174049318.db2.gz ZZIPHBYMCFIWSU-QMMMGPOBSA-N -1 1 293.352 1.225 20 0 CDADMM O=C([O-])[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001593279249 1174049325 /nfs/dbraw/zinc/04/93/25/1174049325.db2.gz ZZIPHBYMCFIWSU-QMMMGPOBSA-N -1 1 293.352 1.225 20 0 CDADMM O=C([O-])[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001593279249 1174049333 /nfs/dbraw/zinc/04/93/33/1174049333.db2.gz ZZIPHBYMCFIWSU-QMMMGPOBSA-N -1 1 293.352 1.225 20 0 CDADMM O=C([O-])[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001593279249 1174049341 /nfs/dbraw/zinc/04/93/41/1174049341.db2.gz ZZIPHBYMCFIWSU-QMMMGPOBSA-N -1 1 293.352 1.225 20 0 CDADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC[C@@H]2C[C@@H]2C1 ZINC001593370757 1174071475 /nfs/dbraw/zinc/07/14/75/1174071475.db2.gz HROPGPCEVVLRIH-HTQZYQBOSA-N -1 1 275.337 1.410 20 0 CDADMM O=C1CC[C@H](CSc2cccc(F)c2-c2nn[n-]n2)O1 ZINC001593391673 1174076556 /nfs/dbraw/zinc/07/65/56/1174076556.db2.gz UKAJDJNAMQKZSY-SSDOTTSWSA-N -1 1 294.311 1.804 20 0 CDADMM OC[C@@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)C1CC1 ZINC001593526162 1174103167 /nfs/dbraw/zinc/10/31/67/1174103167.db2.gz JHWMOXIUUUQOEJ-RXMQYKEDSA-N -1 1 286.748 1.159 20 0 CDADMM OC[C@@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)C1CC1 ZINC001593526162 1174103176 /nfs/dbraw/zinc/10/31/76/1174103176.db2.gz JHWMOXIUUUQOEJ-RXMQYKEDSA-N -1 1 286.748 1.159 20 0 CDADMM OCc1cccc(CNc2cccnc2-c2nnn[n-]2)c1 ZINC001593535553 1174106657 /nfs/dbraw/zinc/10/66/57/1174106657.db2.gz ZKPPKFSSNWKKHN-UHFFFAOYSA-N -1 1 282.307 1.366 20 0 CDADMM OCc1cccc(CNc2cccnc2-c2nn[n-]n2)c1 ZINC001593535553 1174106660 /nfs/dbraw/zinc/10/66/60/1174106660.db2.gz ZKPPKFSSNWKKHN-UHFFFAOYSA-N -1 1 282.307 1.366 20 0 CDADMM c1cc(-c2noc(-c3ccnc(-c4nnn[n-]4)c3)n2)co1 ZINC001593545214 1174114912 /nfs/dbraw/zinc/11/49/12/1174114912.db2.gz ZYJFUEGAPATBJU-UHFFFAOYSA-N -1 1 281.235 1.572 20 0 CDADMM c1cc(-c2noc(-c3ccnc(-c4nn[n-]n4)c3)n2)co1 ZINC001593545214 1174114914 /nfs/dbraw/zinc/11/49/14/1174114914.db2.gz ZYJFUEGAPATBJU-UHFFFAOYSA-N -1 1 281.235 1.572 20 0 CDADMM c1cc(-c2nc(C[C@@H]3CCCO3)no2)oc1-c1nn[n-]n1 ZINC001593544361 1174115299 /nfs/dbraw/zinc/11/52/99/1174115299.db2.gz CUZRJMALRBLIOI-ZETCQYMHSA-N -1 1 288.267 1.231 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC[C@@H]1CC[C@H](C2CC2)O1 ZINC001593552133 1174126266 /nfs/dbraw/zinc/12/62/66/1174126266.db2.gz WLCAGYILDBDNRF-GXSJLCMTSA-N -1 1 287.327 1.026 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC[C@@H]1CC[C@H](C2CC2)O1 ZINC001593552133 1174126271 /nfs/dbraw/zinc/12/62/71/1174126271.db2.gz WLCAGYILDBDNRF-GXSJLCMTSA-N -1 1 287.327 1.026 20 0 CDADMM c1cc([C@H](Nc2ccc(-c3nnn[n-]3)nn2)C2CC2)ccn1 ZINC001593552242 1174126670 /nfs/dbraw/zinc/12/66/70/1174126670.db2.gz RROAUYBHGJGXIM-CYBMUJFWSA-N -1 1 294.322 1.615 20 0 CDADMM c1cc([C@H](Nc2ccc(-c3nn[n-]n3)nn2)C2CC2)ccn1 ZINC001593552242 1174126673 /nfs/dbraw/zinc/12/66/73/1174126673.db2.gz RROAUYBHGJGXIM-CYBMUJFWSA-N -1 1 294.322 1.615 20 0 CDADMM c1cc(N2CC[C@H]([C@H]3CCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001593557648 1174131148 /nfs/dbraw/zinc/13/11/48/1174131148.db2.gz QBXUVBFRFLDADK-QWRGUYRKSA-N -1 1 286.339 1.125 20 0 CDADMM c1cc(N2CC[C@H]([C@H]3CCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001593557648 1174131154 /nfs/dbraw/zinc/13/11/54/1174131154.db2.gz QBXUVBFRFLDADK-QWRGUYRKSA-N -1 1 286.339 1.125 20 0 CDADMM c1cc(NC[C@@H]2CC3(CCC3)CO2)cc(-c2nnn[n-]2)n1 ZINC001593558444 1174132470 /nfs/dbraw/zinc/13/24/70/1174132470.db2.gz NJPMWERBFPTJNB-NSHDSACASA-N -1 1 286.339 1.055 20 0 CDADMM c1cc(NC[C@@H]2CC3(CCC3)CO2)cc(-c2nn[n-]n2)n1 ZINC001593558444 1174132474 /nfs/dbraw/zinc/13/24/74/1174132474.db2.gz NJPMWERBFPTJNB-NSHDSACASA-N -1 1 286.339 1.055 20 0 CDADMM c1cc(N[C@H]2CC23CCOCC3)nc(-c2nnn[n-]2)c1 ZINC001593558057 1174132964 /nfs/dbraw/zinc/13/29/64/1174132964.db2.gz HNDGQBFQKMNJAV-JTQLQIEISA-N -1 1 272.312 1.243 20 0 CDADMM c1cc(N[C@H]2CC23CCOCC3)nc(-c2nn[n-]n2)c1 ZINC001593558057 1174132970 /nfs/dbraw/zinc/13/29/70/1174132970.db2.gz HNDGQBFQKMNJAV-JTQLQIEISA-N -1 1 272.312 1.243 20 0 CDADMM c1cc(N2C[C@H](C3CC3)C[C@@H]2C2CC2)nnc1-c1nnn[n-]1 ZINC001593558098 1174134006 /nfs/dbraw/zinc/13/40/06/1174134006.db2.gz IWIFFRNZIPWQTK-DGCLKSJQSA-N -1 1 297.366 1.672 20 0 CDADMM c1cc(N2C[C@H](C3CC3)C[C@@H]2C2CC2)nnc1-c1nn[n-]n1 ZINC001593558098 1174134010 /nfs/dbraw/zinc/13/40/10/1174134010.db2.gz IWIFFRNZIPWQTK-DGCLKSJQSA-N -1 1 297.366 1.672 20 0 CDADMM c1cc2c(c(Oc3ccc(-c4nnn[n-]4)nn3)c1)CCC2 ZINC001593566997 1174140714 /nfs/dbraw/zinc/14/07/14/1174140714.db2.gz RHUWTEAWWAYKSU-UHFFFAOYSA-N -1 1 280.291 1.938 20 0 CDADMM c1cc2c(c(Oc3ccc(-c4nn[n-]n4)nn3)c1)CCC2 ZINC001593566997 1174140717 /nfs/dbraw/zinc/14/07/17/1174140717.db2.gz RHUWTEAWWAYKSU-UHFFFAOYSA-N -1 1 280.291 1.938 20 0 CDADMM c1ccc2c(c1)C[C@H](CNc1cnc(-c3nnn[n-]3)cn1)O2 ZINC001593580185 1174147404 /nfs/dbraw/zinc/14/74/04/1174147404.db2.gz AAWJTNYXZFUTKB-SNVBAGLBSA-N -1 1 295.306 1.072 20 0 CDADMM c1ccc2c(c1)C[C@H](CNc1cnc(-c3nn[n-]n3)cn1)O2 ZINC001593580185 1174147410 /nfs/dbraw/zinc/14/74/10/1174147410.db2.gz AAWJTNYXZFUTKB-SNVBAGLBSA-N -1 1 295.306 1.072 20 0 CDADMM c1cn(CCOCC2CCCC2)c(-c2nnn[n-]2)n1 ZINC001593582998 1174149486 /nfs/dbraw/zinc/14/94/86/1174149486.db2.gz JOYTXUSKHIGWJE-UHFFFAOYSA-N -1 1 262.317 1.270 20 0 CDADMM c1cn(CCOCC2CCCC2)c(-c2nn[n-]n2)n1 ZINC001593582998 1174149490 /nfs/dbraw/zinc/14/94/90/1174149490.db2.gz JOYTXUSKHIGWJE-UHFFFAOYSA-N -1 1 262.317 1.270 20 0 CDADMM c1nc(-c2nn[n-]n2)ncc1OCCC1CCCC1 ZINC001593590456 1174158029 /nfs/dbraw/zinc/15/80/29/1174158029.db2.gz SZPRWLBIHKGBEN-UHFFFAOYSA-N -1 1 260.301 1.616 20 0 CDADMM c1sc(-c2nn[n-]n2)cc1CN(C1CC1)C1COC1 ZINC001593594773 1174162619 /nfs/dbraw/zinc/16/26/19/1174162619.db2.gz XJOFJCVVRKRJIT-UHFFFAOYSA-N -1 1 277.353 1.291 20 0 CDADMM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@H]2N1Cc1cncn1C ZINC001594339926 1174183718 /nfs/dbraw/zinc/18/37/18/1174183718.db2.gz LRXYAEXJJDWHEZ-XEZLXBQYSA-N -1 1 279.340 1.015 20 0 CDADMM Cc1cc(C)c(C[N@@H+](CCC(=O)[O-])CC(=O)[O-])cc1C ZINC001600160166 1174383880 /nfs/dbraw/zinc/38/38/80/1174383880.db2.gz PYSHKDBXMAOZLD-UHFFFAOYSA-N -1 1 279.336 1.973 20 0 CDADMM Cc1cc(NS(=O)(=O)CC2(F)CC2)ncc1C(=O)[O-] ZINC001600281986 1174436839 /nfs/dbraw/zinc/43/68/39/1174436839.db2.gz VTFAICRCIQUBMS-UHFFFAOYSA-N -1 1 288.300 1.332 20 0 CDADMM Cc1ccc(CC[N@@H+](CCC(=O)[O-])CC(=O)[O-])cc1 ZINC001600407855 1174464726 /nfs/dbraw/zinc/46/47/26/1174464726.db2.gz XOZNHXLRCXUKAD-UHFFFAOYSA-N -1 1 265.309 1.399 20 0 CDADMM Cc1ccc(NC(=O)[C@@H](N)COC(C)C)cc1C(=O)[O-] ZINC001600455617 1174481347 /nfs/dbraw/zinc/48/13/47/1174481347.db2.gz XNYPCAKBOALQGJ-LBPRGKRZSA-N -1 1 280.324 1.384 20 0 CDADMM c1cc(Oc2cnc(-c3nnn[n-]3)cn2)cc2c1CCC2 ZINC000095165806 1174502811 /nfs/dbraw/zinc/50/28/11/1174502811.db2.gz JXCVAYYYJGNISJ-UHFFFAOYSA-N -1 1 280.291 1.938 20 0 CDADMM c1cc(Oc2cnc(-c3nn[n-]n3)cn2)cc2c1CCC2 ZINC000095165806 1174502816 /nfs/dbraw/zinc/50/28/16/1174502816.db2.gz JXCVAYYYJGNISJ-UHFFFAOYSA-N -1 1 280.291 1.938 20 0 CDADMM Cc1nc(CN[C@@]2(CC(=O)[O-])CCOC2)cs1 ZINC001600702122 1174572768 /nfs/dbraw/zinc/57/27/68/1174572768.db2.gz KDGLVBDIOPYPNA-LLVKDONJSA-N -1 1 256.327 1.175 20 0 CDADMM Cc1ncc(NC(=O)N2CC[N@H+]3CC[C@H]2C3)cc1C(=O)[O-] ZINC001600739725 1174585718 /nfs/dbraw/zinc/58/57/18/1174585718.db2.gz DSCLTMKGHTVIOZ-NSHDSACASA-N -1 1 290.323 1.010 20 0 CDADMM Cc1noc([C@@H]2CCCN2CC2(CC(=O)[O-])CC2)n1 ZINC001600814116 1174623657 /nfs/dbraw/zinc/62/36/57/1174623657.db2.gz YZUWXIUOOXOMSV-JTQLQIEISA-N -1 1 265.313 1.770 20 0 CDADMM Cn1c(CN[C@@H](CO)c2ccsc2)ccc1C(=O)[O-] ZINC001600917242 1174664492 /nfs/dbraw/zinc/66/44/92/1174664492.db2.gz ZGTNQBLSRAHUEI-NSHDSACASA-N -1 1 280.349 1.608 20 0 CDADMM Nc1cnc(CN2CCc3ccccc3[C@@H]2C(=O)[O-])cn1 ZINC001601218472 1174796031 /nfs/dbraw/zinc/79/60/31/1174796031.db2.gz LIPSQGZTNWTDLZ-CQSZACIVSA-N -1 1 284.319 1.243 20 0 CDADMM O=C([O-])c1ccc(CNCC(=O)Nc2cccc(F)c2)[nH]1 ZINC001601328039 1174834896 /nfs/dbraw/zinc/83/48/96/1174834896.db2.gz ZPLDLTPLCPRPDF-UHFFFAOYSA-N -1 1 291.282 1.580 20 0 CDADMM O=C([O-])c1ccoc1CN1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001601433353 1174869188 /nfs/dbraw/zinc/86/91/88/1174869188.db2.gz DADMNKNRZYZSOI-SNVBAGLBSA-N -1 1 293.323 1.014 20 0 CDADMM O=C([O-])[C@H](N[C@@H](CO)C1CC1)c1c(F)cccc1Cl ZINC001601666155 1174936182 /nfs/dbraw/zinc/93/61/82/1174936182.db2.gz DRVCMPZQKMSPME-CMPLNLGQSA-N -1 1 287.718 1.965 20 0 CDADMM O=C([O-])C12CC(C1)CN2Cc1ccc(Cl)cn1 ZINC001601728872 1174972292 /nfs/dbraw/zinc/97/22/92/1174972292.db2.gz XTWBYYKGHBVWOF-UHFFFAOYSA-N -1 1 252.701 1.784 20 0 CDADMM O=C([O-])[C@@H]1CC12CCN(Cc1cc3n(n1)CCC3)CC2 ZINC001601774726 1175001089 /nfs/dbraw/zinc/00/10/89/1175001089.db2.gz KPXPTRXJRXLELP-ZDUSSCGKSA-N -1 1 275.352 1.516 20 0 CDADMM O=C([O-])[C@@H]1CCN(CN2CC[C@@H](c3ccccc3)C2=O)C1 ZINC001601825673 1175024100 /nfs/dbraw/zinc/02/41/00/1175024100.db2.gz KGWLGPGLUUBIMW-KGLIPLIRSA-N -1 1 288.347 1.367 20 0 CDADMM O=C([O-])/C=C\c1ccc(OCCN2CC[C@H]2CO)cc1 ZINC001601882775 1175050855 /nfs/dbraw/zinc/05/08/55/1175050855.db2.gz JGIXGKSRZLBNOJ-RJNRQISESA-N -1 1 277.320 1.230 20 0 CDADMM O=C([O-])[C@@H](F)CNC[C@@H](O)c1cccc(Cl)c1 ZINC001602170146 1175150069 /nfs/dbraw/zinc/15/00/69/1175150069.db2.gz QYUYHIZHYIVMAI-VHSXEESVSA-N -1 1 261.680 1.386 20 0 CDADMM O=C([O-])[C@@H]1CN(CN2CCC3(CCCC3)CC2)C(=O)O1 ZINC001602187757 1175155937 /nfs/dbraw/zinc/15/59/37/1175155937.db2.gz HBVVHCHMIPKSJV-NSHDSACASA-N -1 1 282.340 1.506 20 0 CDADMM O=C([O-])c1cc(CN2CCC(c3cn[nH]c3)CC2)on1 ZINC001602256203 1175183539 /nfs/dbraw/zinc/18/35/39/1175183539.db2.gz FHTBZKVUPWMGSG-UHFFFAOYSA-N -1 1 276.296 1.476 20 0 CDADMM O=C([O-])c1cccc2c1C[N@@H+](CC[C@@H]1CCOC1=O)CC2 ZINC001602459987 1175246796 /nfs/dbraw/zinc/24/67/96/1175246796.db2.gz JBLZVESSGNKFDT-GFCCVEGCSA-N -1 1 289.331 1.696 20 0 CDADMM O=C([O-])c1ccoc1CN1CC[C@@H](N2CCOC2=O)C1 ZINC001602485602 1175256814 /nfs/dbraw/zinc/25/68/14/1175256814.db2.gz OWPZFPHRIOOHQG-SECBINFHSA-N -1 1 280.280 1.004 20 0 CDADMM O=C([O-])c1ccoc1CN1CCC[C@H](n2ccnn2)C1 ZINC001602486284 1175260048 /nfs/dbraw/zinc/26/00/48/1175260048.db2.gz VTXDLFZLCHLBHI-JTQLQIEISA-N -1 1 276.296 1.406 20 0 CDADMM O=C([O-])c1cnc(CN2CCC3(CCOC3)CC2)cn1 ZINC001602518460 1175263710 /nfs/dbraw/zinc/26/37/10/1175263710.db2.gz FTFALUOGUMNFHG-UHFFFAOYSA-N -1 1 277.324 1.177 20 0 CDADMM O=C([O-])c1cnc(CNC[C@@H]2CC3(CCC3)CO2)s1 ZINC001602521563 1175270747 /nfs/dbraw/zinc/27/07/47/1175270747.db2.gz UPUMABNCZUIHJK-VIFPVBQESA-N -1 1 282.365 1.890 20 0 CDADMM O=C([O-])c1cnc(CNCCOCC2CCC2)s1 ZINC001602523419 1175271383 /nfs/dbraw/zinc/27/13/83/1175271383.db2.gz OFWUQBNEBNETKM-UHFFFAOYSA-N -1 1 270.354 1.748 20 0 CDADMM O=C([O-])c1ncn(CN2CC[C@H](C3CCC3)C2)n1 ZINC001602580053 1175305955 /nfs/dbraw/zinc/30/59/55/1175305955.db2.gz DPDGURDAUNKAOF-JTQLQIEISA-N -1 1 250.302 1.056 20 0 CDADMM CC(=Cc1cccnc1)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001602905735 1175448324 /nfs/dbraw/zinc/44/83/24/1175448324.db2.gz ATAYHGZILDWMCK-YVMONPNESA-N -1 1 296.294 1.027 20 0 CDADMM C[C@H](C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1)C(C)(C)C ZINC001603019657 1175477854 /nfs/dbraw/zinc/47/78/54/1175477854.db2.gz NAJAEEWQFUYXEN-SECBINFHSA-N -1 1 289.339 1.959 20 0 CDADMM C[C@H](C(=O)Nc1cc(C(=O)[O-])n(C)n1)N1CCCCCC1 ZINC001603173878 1175509071 /nfs/dbraw/zinc/50/90/71/1175509071.db2.gz AHHWWLHFBPYQKY-SNVBAGLBSA-N -1 1 294.355 1.321 20 0 CDADMM CC(C)[C@H](C)OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001603211619 1175515118 /nfs/dbraw/zinc/51/51/18/1175515118.db2.gz SHSWVXFBOHVYRQ-QMMMGPOBSA-N -1 1 261.285 1.463 20 0 CDADMM CC(C)[C@H](C)OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001603211619 1175515122 /nfs/dbraw/zinc/51/51/22/1175515122.db2.gz SHSWVXFBOHVYRQ-QMMMGPOBSA-N -1 1 261.285 1.463 20 0 CDADMM CC(C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC001603229054 1175520911 /nfs/dbraw/zinc/52/09/11/1175520911.db2.gz OSLFAZUPOUALKK-NSHDSACASA-N -1 1 275.312 1.624 20 0 CDADMM CC(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC001603229054 1175520913 /nfs/dbraw/zinc/52/09/13/1175520913.db2.gz OSLFAZUPOUALKK-NSHDSACASA-N -1 1 275.312 1.624 20 0 CDADMM CC(C)CCOCCOC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603282573 1175531413 /nfs/dbraw/zinc/53/14/13/1175531413.db2.gz FMOIYBZPKAUXKH-UHFFFAOYSA-N -1 1 294.311 1.679 20 0 CDADMM CC(C)(C)[C@@H](NC(=O)c1cncc2nc[nH]c21)C(=O)[O-] ZINC001603310523 1175536719 /nfs/dbraw/zinc/53/67/19/1175536719.db2.gz OEZWSMZSZONKOY-JTQLQIEISA-N -1 1 276.296 1.187 20 0 CDADMM CC(C)OCCONC(=O)c1ccsc1-c1nnn[n-]1 ZINC001603356699 1175547142 /nfs/dbraw/zinc/54/71/42/1175547142.db2.gz FUKJGMMTVHPUEG-UHFFFAOYSA-N -1 1 297.340 1.015 20 0 CDADMM CC(C)OCCONC(=O)c1ccsc1-c1nn[n-]n1 ZINC001603356699 1175547145 /nfs/dbraw/zinc/54/71/45/1175547145.db2.gz FUKJGMMTVHPUEG-UHFFFAOYSA-N -1 1 297.340 1.015 20 0 CDADMM CC(C)n1cc(OCc2nc(-c3nnn[n-]3)cs2)cn1 ZINC001603430815 1175554067 /nfs/dbraw/zinc/55/40/67/1175554067.db2.gz OQFDLYUFYLQNIV-UHFFFAOYSA-N -1 1 291.340 1.680 20 0 CDADMM CC(C)n1cc(OCc2nc(-c3nn[n-]n3)cs2)cn1 ZINC001603430815 1175554073 /nfs/dbraw/zinc/55/40/73/1175554073.db2.gz OQFDLYUFYLQNIV-UHFFFAOYSA-N -1 1 291.340 1.680 20 0 CDADMM CC(C)(C)c1nc(CN[C@@H](C(=O)[O-])C2CC2)n[nH]1 ZINC001603551475 1175564366 /nfs/dbraw/zinc/56/43/66/1175564366.db2.gz RQRQXRBGMOCXPJ-SECBINFHSA-N -1 1 252.318 1.055 20 0 CDADMM C[C@H](Cc1cccs1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001603584600 1175571847 /nfs/dbraw/zinc/57/18/47/1175571847.db2.gz DDLVMAIBZHKNAG-MRVPVSSYSA-N -1 1 287.352 1.183 20 0 CDADMM C[C@H](OC(=O)c1ccsc1-c1nnn[n-]1)C(=O)C1CC1 ZINC001603704964 1175605627 /nfs/dbraw/zinc/60/56/27/1175605627.db2.gz OBKKOIAAILDWPH-LURJTMIESA-N -1 1 292.320 1.453 20 0 CDADMM C[C@H](OC(=O)c1ccsc1-c1nn[n-]n1)C(=O)C1CC1 ZINC001603704964 1175605631 /nfs/dbraw/zinc/60/56/31/1175605631.db2.gz OBKKOIAAILDWPH-LURJTMIESA-N -1 1 292.320 1.453 20 0 CDADMM CC1(C)CCC[C@H](CNc2cc(-c3nnn[n-]3)ncn2)O1 ZINC001603774822 1175627514 /nfs/dbraw/zinc/62/75/14/1175627514.db2.gz RJSXGQQHYRFEOS-SECBINFHSA-N -1 1 289.343 1.416 20 0 CDADMM CC1(C)CCC[C@H](CNc2cc(-c3nn[n-]n3)ncn2)O1 ZINC001603774822 1175627519 /nfs/dbraw/zinc/62/75/19/1175627519.db2.gz RJSXGQQHYRFEOS-SECBINFHSA-N -1 1 289.343 1.416 20 0 CDADMM CC1(CNc2cnc(-c3nnn[n-]3)cn2)CC(F)(F)C1 ZINC001603808660 1175640409 /nfs/dbraw/zinc/64/04/09/1175640409.db2.gz YYHLVIIXGHEGMI-UHFFFAOYSA-N -1 1 281.270 1.504 20 0 CDADMM CC1(CNc2cnc(-c3nn[n-]n3)cn2)CC(F)(F)C1 ZINC001603808660 1175640413 /nfs/dbraw/zinc/64/04/13/1175640413.db2.gz YYHLVIIXGHEGMI-UHFFFAOYSA-N -1 1 281.270 1.504 20 0 CDADMM CC(C)CN1CCC[C@H]1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001603816981 1175640928 /nfs/dbraw/zinc/64/09/28/1175640928.db2.gz YMRBYANDHQUIHY-NSHDSACASA-N -1 1 294.355 1.027 20 0 CDADMM C[C@]1(F)CCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001603810682 1175641134 /nfs/dbraw/zinc/64/11/34/1175641134.db2.gz VZCCLBVDEWRVOK-LBPRGKRZSA-N -1 1 279.275 1.424 20 0 CDADMM C[C@]1(F)CCCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001603810682 1175641136 /nfs/dbraw/zinc/64/11/36/1175641136.db2.gz VZCCLBVDEWRVOK-LBPRGKRZSA-N -1 1 279.275 1.424 20 0 CDADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001603870245 1175661220 /nfs/dbraw/zinc/66/12/20/1175661220.db2.gz GJPRAJOLHSHRKV-KATARQTJSA-N -1 1 271.328 1.361 20 0 CDADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001603870245 1175661224 /nfs/dbraw/zinc/66/12/24/1175661224.db2.gz GJPRAJOLHSHRKV-KATARQTJSA-N -1 1 271.328 1.361 20 0 CDADMM C[C@@H]1C[C@H]1c1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)n[nH]1 ZINC001603871552 1175661310 /nfs/dbraw/zinc/66/13/10/1175661310.db2.gz OURRRMFJKKCARB-HTRCEHHLSA-N -1 1 299.294 1.559 20 0 CDADMM C[C@@H]1C[C@H]1c1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)n[nH]1 ZINC001603871552 1175661315 /nfs/dbraw/zinc/66/13/15/1175661315.db2.gz OURRRMFJKKCARB-HTRCEHHLSA-N -1 1 299.294 1.559 20 0 CDADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001603870590 1175661372 /nfs/dbraw/zinc/66/13/72/1175661372.db2.gz IZMSIGDABCSVNK-DOLQZWNJSA-N -1 1 271.328 1.361 20 0 CDADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001603870590 1175661375 /nfs/dbraw/zinc/66/13/75/1175661375.db2.gz IZMSIGDABCSVNK-DOLQZWNJSA-N -1 1 271.328 1.361 20 0 CDADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001603870242 1175662050 /nfs/dbraw/zinc/66/20/50/1175662050.db2.gz GJPRAJOLHSHRKV-DOLQZWNJSA-N -1 1 271.328 1.361 20 0 CDADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001603870242 1175662054 /nfs/dbraw/zinc/66/20/54/1175662054.db2.gz GJPRAJOLHSHRKV-DOLQZWNJSA-N -1 1 271.328 1.361 20 0 CDADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001603873540 1175664313 /nfs/dbraw/zinc/66/43/13/1175664313.db2.gz YTLGVWYMHAFYQR-QCZKYFFMSA-N -1 1 270.340 1.388 20 0 CDADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001603873540 1175664317 /nfs/dbraw/zinc/66/43/17/1175664317.db2.gz YTLGVWYMHAFYQR-QCZKYFFMSA-N -1 1 270.340 1.388 20 0 CDADMM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1c(O)cccc1F ZINC001603917181 1175684212 /nfs/dbraw/zinc/68/42/12/1175684212.db2.gz LIBABCYAZMZMFC-SNVBAGLBSA-N -1 1 299.298 1.482 20 0 CDADMM CC(C)OC[C@H](N)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001603925790 1175687627 /nfs/dbraw/zinc/68/76/27/1175687627.db2.gz JDGQTWAYZBHANE-NSHDSACASA-N -1 1 284.287 1.215 20 0 CDADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@@H](C2CC2)O1 ZINC001603941203 1175692767 /nfs/dbraw/zinc/69/27/67/1175692767.db2.gz ZJAKEEMKLGQMKT-SKDRFNHKSA-N -1 1 286.339 1.265 20 0 CDADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@@H](C2CC2)O1 ZINC001603941203 1175692770 /nfs/dbraw/zinc/69/27/70/1175692770.db2.gz ZJAKEEMKLGQMKT-SKDRFNHKSA-N -1 1 286.339 1.265 20 0 CDADMM CC[C@H](C[C@H](C)CO)Nc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001604015523 1175721030 /nfs/dbraw/zinc/72/10/30/1175721030.db2.gz JOSMSBIWYPYNID-WDEREUQCSA-N -1 1 290.371 1.779 20 0 CDADMM CC[C@H](C[C@H](C)CO)Nc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001604015523 1175721033 /nfs/dbraw/zinc/72/10/33/1175721033.db2.gz JOSMSBIWYPYNID-WDEREUQCSA-N -1 1 290.371 1.779 20 0 CDADMM CC[C@@H](CO)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001604039743 1175730117 /nfs/dbraw/zinc/73/01/17/1175730117.db2.gz JVVQQJCKZHCBQS-YFKPBYRVSA-N -1 1 288.764 1.184 20 0 CDADMM CC[C@@H](CO)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001604039743 1175730121 /nfs/dbraw/zinc/73/01/21/1175730121.db2.gz JVVQQJCKZHCBQS-YFKPBYRVSA-N -1 1 288.764 1.184 20 0 CDADMM CC[C@H]1CCCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001604106577 1175764974 /nfs/dbraw/zinc/76/49/74/1175764974.db2.gz RFHYNBVSJFYCSU-VIFPVBQESA-N -1 1 277.353 1.943 20 0 CDADMM CC(C)CN1CCN(C(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000132735557 1175796956 /nfs/dbraw/zinc/79/69/56/1175796956.db2.gz QCXFYYLGYUHUOS-UHFFFAOYSA-N -1 1 280.324 1.392 20 0 CDADMM C[C@H](CO[C@@H]1CCOC1)NC(=O)c1ccc([O-])cc1F ZINC000164678434 1180769302 /nfs/dbraw/zinc/76/93/02/1180769302.db2.gz NFLZNLBEALJXPS-MWLCHTKSSA-N -1 1 283.299 1.455 20 0 CDADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cc(C)on1 ZINC001771618432 1184779994 /nfs/dbraw/zinc/77/99/94/1184779994.db2.gz KILLIBOYPIHZKI-UHFFFAOYSA-N -1 1 294.336 1.439 20 0 CDADMM COc1cccc([C@@H](N)C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC001771830138 1186893126 /nfs/dbraw/zinc/89/31/26/1186893126.db2.gz WISGGBUXOWLWNA-DOMZBBRYSA-N -1 1 292.335 1.018 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@H](C)[C@@H]1C ZINC001606166227 1163794414 /nfs/dbraw/zinc/79/44/14/1163794414.db2.gz QAAAFDORZOLQPM-YUMQZZPRSA-N -1 1 275.312 1.639 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@H](C)[C@@H]1C ZINC001606166227 1163794422 /nfs/dbraw/zinc/79/44/22/1163794422.db2.gz QAAAFDORZOLQPM-YUMQZZPRSA-N -1 1 275.312 1.639 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(CC(F)F)C(C)C ZINC001606164984 1163795115 /nfs/dbraw/zinc/79/51/15/1163795115.db2.gz KDKVDQGYWGIBQS-UHFFFAOYSA-N -1 1 299.281 1.884 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(CC(F)F)C(C)C ZINC001606164984 1163795121 /nfs/dbraw/zinc/79/51/21/1163795121.db2.gz KDKVDQGYWGIBQS-UHFFFAOYSA-N -1 1 299.281 1.884 20 0 CDADMM CNC(=O)N[C@H]1CCN(Cc2ccc(C)c(C(=O)[O-])c2)C1 ZINC001606280944 1163836354 /nfs/dbraw/zinc/83/63/54/1163836354.db2.gz LZPUFOQLHYVNBK-LBPRGKRZSA-N -1 1 291.351 1.197 20 0 CDADMM FC1(F)CCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001606300285 1163844787 /nfs/dbraw/zinc/84/47/87/1163844787.db2.gz SIQVKOBPULBKOP-SSDOTTSWSA-N -1 1 267.243 1.256 20 0 CDADMM FC1(F)CCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001606300285 1163844796 /nfs/dbraw/zinc/84/47/96/1163844796.db2.gz SIQVKOBPULBKOP-SSDOTTSWSA-N -1 1 267.243 1.256 20 0 CDADMM FC1(F)CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001606299233 1163843888 /nfs/dbraw/zinc/84/38/88/1163843888.db2.gz AFFLSFKRWLPMOW-UHFFFAOYSA-N -1 1 272.646 1.370 20 0 CDADMM FC1(F)CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001606299233 1163843896 /nfs/dbraw/zinc/84/38/96/1163843896.db2.gz AFFLSFKRWLPMOW-UHFFFAOYSA-N -1 1 272.646 1.370 20 0 CDADMM Fc1ccc(OCC2CC=CC2)c(-c2nnn[n-]2)n1 ZINC001606322798 1163859802 /nfs/dbraw/zinc/85/98/02/1163859802.db2.gz IBIOPLUBBBFTPG-UHFFFAOYSA-N -1 1 261.260 1.746 20 0 CDADMM Fc1ccc(OCC2CC=CC2)c(-c2nn[n-]n2)n1 ZINC001606322798 1163859806 /nfs/dbraw/zinc/85/98/06/1163859806.db2.gz IBIOPLUBBBFTPG-UHFFFAOYSA-N -1 1 261.260 1.746 20 0 CDADMM COCCOC[C@@H](C)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001606903860 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CDADMM COC[C@H](NC(=O)CCCCC(C)(C)C)c1nn[n-]n1 ZINC001303579640 956103750 /nfs/dbraw/zinc/10/37/50/956103750.db2.gz AWYBVQJVTFTGOG-JTQLQIEISA-N -1 1 283.376 1.610 20 0 CDADMM C[C@@H](OC(=O)[C@@H]1CCCN1C1CCCC1)C(=O)[O-] ZINC001589155248 956370789 /nfs/dbraw/zinc/37/07/89/956370789.db2.gz GPNULXZJTRFJFT-KOLCDFICSA-N -1 1 255.314 1.410 20 0 CDADMM CC(C)c1nc(COC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)n[nH]1 ZINC001603107250 972184714 /nfs/dbraw/zinc/18/47/14/972184714.db2.gz SZZYTBYXSXWALM-DTWKUNHWSA-N -1 1 281.312 1.472 20 0 CDADMM CC(C)c1nnc(COC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)[nH]1 ZINC001603107250 972184716 /nfs/dbraw/zinc/18/47/16/972184716.db2.gz SZZYTBYXSXWALM-DTWKUNHWSA-N -1 1 281.312 1.472 20 0 CDADMM CCc1cccnc1NC(=O)CCCc1nn[n-]n1 ZINC001332062535 957419681 /nfs/dbraw/zinc/41/96/81/957419681.db2.gz XODCWJSZCPSVSR-UHFFFAOYSA-N -1 1 260.301 1.119 20 0 CDADMM C[C@H](CNc1nc(Cl)nc2[nH]cnc21)C(=O)[O-] ZINC001603193068 972296701 /nfs/dbraw/zinc/29/67/01/972296701.db2.gz HJTRHJFLAUFCHY-SCSAIBSYSA-N -1 1 255.665 1.091 20 0 CDADMM O=C(Nc1cnccc1CO)c1ccc([O-])cc1F ZINC001545801662 957901940 /nfs/dbraw/zinc/90/19/40/957901940.db2.gz AFAKMYBRFYLEGL-UHFFFAOYSA-N -1 1 262.240 1.671 20 0 CDADMM Cc1ccc(C)c(NC(=O)CNC(C)(C)C(=O)[O-])c1 ZINC000087625837 958025919 /nfs/dbraw/zinc/02/59/19/958025919.db2.gz YCNGKSFYODURPS-UHFFFAOYSA-N -1 1 264.325 1.695 20 0 CDADMM Cc1cc(=O)[n-]c([C@H](C)[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)n1 ZINC001594326794 958180350 /nfs/dbraw/zinc/18/03/50/958180350.db2.gz JSHXUYNHRFYMON-INTQDDNPSA-N -1 1 279.340 1.594 20 0 CDADMM Cc1cc(=O)[n-]c([C@H](C)[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)n1 ZINC001594326794 958180357 /nfs/dbraw/zinc/18/03/57/958180357.db2.gz JSHXUYNHRFYMON-INTQDDNPSA-N -1 1 279.340 1.594 20 0 CDADMM C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1nc(=O)c2sccc2[n-]1 ZINC000092939502 958204549 /nfs/dbraw/zinc/20/45/49/958204549.db2.gz OUEQUWKKDWXENW-JGVFFNPUSA-N -1 1 293.348 1.692 20 0 CDADMM CC[C@](C)(NCC(=O)N(C)C1CCCCC1)C(=O)[O-] ZINC000094228231 958271628 /nfs/dbraw/zinc/27/16/28/958271628.db2.gz IPTRNJMHIKHUIZ-AWEZNQCLSA-N -1 1 270.373 1.620 20 0 CDADMM CSc1cc(C)c(C(=O)N(C)c2nn[n-]n2)o1 ZINC001333647186 958477886 /nfs/dbraw/zinc/47/78/86/958477886.db2.gz NEHPDBRQFWNYHM-UHFFFAOYSA-N -1 1 253.287 1.100 20 0 CDADMM Cc1c([C@@H](NCc2cnc(F)c(C)c2)C(=O)[O-])cnn1C ZINC001333947323 958723464 /nfs/dbraw/zinc/72/34/64/958723464.db2.gz JYACCYVFIUAZRZ-GFCCVEGCSA-N -1 1 292.314 1.487 20 0 CDADMM Cc1ccc(OCCCOCc2nn[n-]n2)cc1C ZINC001334030872 958779688 /nfs/dbraw/zinc/77/96/88/958779688.db2.gz BHNXHSHFAVPTQZ-UHFFFAOYSA-N -1 1 262.313 1.802 20 0 CDADMM Cc1nn(C)c(Cl)c1CNCCSCC(=O)[O-] ZINC001334057576 958799429 /nfs/dbraw/zinc/79/94/29/958799429.db2.gz SUIYEVKCHXKNCY-UHFFFAOYSA-N -1 1 277.777 1.289 20 0 CDADMM COc1ncncc1CN1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001594159776 958873850 /nfs/dbraw/zinc/87/38/50/958873850.db2.gz XEPPPMLVUBAAKU-KOLCDFICSA-N -1 1 265.313 1.028 20 0 CDADMM O=C(Nc1cccc([O-])c1Br)C(=O)NC1CC1 ZINC001334157756 958890001 /nfs/dbraw/zinc/89/00/01/958890001.db2.gz VIHNSWJIQDIWJP-UHFFFAOYSA-N -1 1 299.124 1.372 20 0 CDADMM C[C@@H](C(=O)[O-])C(=O)Nc1cc(C(=O)OC(C)(C)C)[nH]n1 ZINC001588575685 959223205 /nfs/dbraw/zinc/22/32/05/959223205.db2.gz IMCCKUPYICGTEX-ZCFIWIBFSA-N -1 1 283.284 1.024 20 0 CDADMM Cc1[nH]nc(CNC(=O)[C@@H](C(=O)[O-])C2CCCC2)c1C ZINC001594441721 959280020 /nfs/dbraw/zinc/28/00/20/959280020.db2.gz PVXKCAMRAGSZER-LBPRGKRZSA-N -1 1 279.340 1.534 20 0 CDADMM Cc1nc(N[C@@H](C)CN2CCN(C)CC2)sc1C(=O)[O-] ZINC001594460238 959448020 /nfs/dbraw/zinc/44/80/20/959448020.db2.gz YWTXBPKVUQEART-VIFPVBQESA-N -1 1 298.412 1.198 20 0 CDADMM C[C@@H]1[C@@H](C)N(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCN1C ZINC001573690682 959779758 /nfs/dbraw/zinc/77/97/58/959779758.db2.gz PJZXWVSCQYQZPU-WISYIIOYSA-N -1 1 268.357 1.038 20 0 CDADMM CN(C)Cc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cn1 ZINC001604074847 972466006 /nfs/dbraw/zinc/46/60/06/972466006.db2.gz JRCNGFPZSHHJEB-GFCCVEGCSA-N -1 1 291.351 1.080 20 0 CDADMM O=C([O-])c1coc(CNCc2ccc(CO)cc2)c1 ZINC000227459141 959949961 /nfs/dbraw/zinc/94/99/61/959949961.db2.gz SFGDVTVQAWZERY-UHFFFAOYSA-N -1 1 261.277 1.760 20 0 CDADMM CN(CCc1ccccc1C(=O)[O-])[C@H]1CCN(C)C1=O ZINC000228514701 960018141 /nfs/dbraw/zinc/01/81/41/960018141.db2.gz XVRJPKCZUCXUFD-ZDUSSCGKSA-N -1 1 276.336 1.090 20 0 CDADMM CC(C)NC(=O)CN(C)CCc1ccccc1C(=O)[O-] ZINC000228513258 960018617 /nfs/dbraw/zinc/01/86/17/960018617.db2.gz AHOPUFSWLODCCU-UHFFFAOYSA-N -1 1 278.352 1.384 20 0 CDADMM CN(CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])C1CCC1 ZINC001604102449 972506180 /nfs/dbraw/zinc/50/61/80/972506180.db2.gz VBHNTOYRYBGTEC-GFCCVEGCSA-N -1 1 284.400 1.866 20 0 CDADMM Cc1cc(NC(=O)c2ccc([O-])cn2)ccc1C(N)=O ZINC001433674355 960504920 /nfs/dbraw/zinc/50/49/20/960504920.db2.gz JBUACOIQOFEYTJ-UHFFFAOYSA-N -1 1 271.276 1.447 20 0 CDADMM Cc1c(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)ccc2cncn21 ZINC001574297908 960705462 /nfs/dbraw/zinc/70/54/62/960705462.db2.gz OIQKZZRMBGDUFL-MNOVXSKESA-N -1 1 287.319 1.626 20 0 CDADMM C[C@H]([C@H](C)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-])C(C)(C)C ZINC001571056518 960737402 /nfs/dbraw/zinc/73/74/02/960737402.db2.gz YUOWGUSNKNUHTN-HOSYDEDBSA-N -1 1 295.383 1.840 20 0 CDADMM C[C@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])[C@H](C(N)=O)C1 ZINC001433927528 960775518 /nfs/dbraw/zinc/77/55/18/960775518.db2.gz RJKNCKDCVYMSSK-KWQFWETISA-N -1 1 296.754 1.772 20 0 CDADMM CCC(CC)(NC(=O)Cc1ccc(C)nc1)c1nn[n-]n1 ZINC001433970990 960828602 /nfs/dbraw/zinc/82/86/02/960828602.db2.gz ZQRPZVPZGUZYOU-UHFFFAOYSA-N -1 1 288.355 1.277 20 0 CDADMM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1CC[S@@](C)=O ZINC001571067098 960844560 /nfs/dbraw/zinc/84/45/60/960844560.db2.gz OWHSMGHECXHGHJ-FKIZINRSSA-N -1 1 298.408 1.629 20 0 CDADMM CC(C)(CCNS(=O)(=O)c1ccccc1O)C(=O)[O-] ZINC001588778310 961287975 /nfs/dbraw/zinc/28/79/75/961287975.db2.gz FGDHGCBBUIIZPN-UHFFFAOYSA-N -1 1 287.337 1.171 20 0 CDADMM Cc1cc(=O)[n-]c([C@H](C)[N@@H+](C)C[C@@H](C)C(=O)[O-])n1 ZINC001329678110 961298505 /nfs/dbraw/zinc/29/85/05/961298505.db2.gz FMDQSFXNKKQWGL-APPZFPTMSA-N -1 1 253.302 1.204 20 0 CDADMM Cc1cc(=O)[n-]c([C@H](C)[N@H+](C)C[C@@H](C)C(=O)[O-])n1 ZINC001329678110 961298518 /nfs/dbraw/zinc/29/85/18/961298518.db2.gz FMDQSFXNKKQWGL-APPZFPTMSA-N -1 1 253.302 1.204 20 0 CDADMM Cc1nc([C@@H](C)[N-]S(=O)(=O)c2ccco2)no1 ZINC001324312029 961302864 /nfs/dbraw/zinc/30/28/64/961302864.db2.gz QTSMHSRHKNJSRL-ZCFIWIBFSA-N -1 1 257.271 1.011 20 0 CDADMM Cn1cc(CN2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)nn1 ZINC001574458187 961528986 /nfs/dbraw/zinc/52/89/86/961528986.db2.gz NJBKBBFEGGTAAW-UONOGXRCSA-N -1 1 286.335 1.115 20 0 CDADMM CCC(=O)N[C@@]1(CNCc2n[nH]c(=O)[n-]2)CCCC[C@H]1C ZINC001419361806 961631429 /nfs/dbraw/zinc/63/14/29/961631429.db2.gz CTQSXCRMVSQRBQ-QMTHXVAHSA-N -1 1 295.387 1.075 20 0 CDADMM COc1ccc([O-])c(S(=O)(=O)NCc2cccn2C)c1 ZINC001434553401 961693030 /nfs/dbraw/zinc/69/30/30/961693030.db2.gz KHEMQXUPSZCSLO-UHFFFAOYSA-N -1 1 296.348 1.218 20 0 CDADMM O=C([N-]c1n[nH]c(-c2ccco2)n1)c1ncc(F)cc1F ZINC001338258919 961718722 /nfs/dbraw/zinc/71/87/22/961718722.db2.gz XVNQETAZTIGXIB-UHFFFAOYSA-N -1 1 291.217 1.990 20 0 CDADMM O=C(NC[C@@H](O)c1c(F)cccc1F)c1ccc([O-])cn1 ZINC001419627637 961886578 /nfs/dbraw/zinc/88/65/78/961886578.db2.gz GOCSHSAADFRXQS-GFCCVEGCSA-N -1 1 294.257 1.529 20 0 CDADMM CN1CCC[C@H]1C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001574029521 961993405 /nfs/dbraw/zinc/99/34/05/961993405.db2.gz IOQAROQVVJLWBG-QWRGUYRKSA-N -1 1 270.373 1.476 20 0 CDADMM Cc1ccc(CN[C@@H](C[C@H]2CCCO2)C(=O)[O-])o1 ZINC001339241138 962262912 /nfs/dbraw/zinc/26/29/12/962262912.db2.gz NQXGTVCHNSHGJB-PWSUYJOCSA-N -1 1 253.298 1.700 20 0 CDADMM O=C([O-])C[C@@H]1COCCN1C[C@H](O)CC1CCCC1 ZINC000300071664 962977483 /nfs/dbraw/zinc/97/74/83/962977483.db2.gz CLAYXEMVSDFBLX-CHWSQXEVSA-N -1 1 271.357 1.103 20 0 CDADMM CCn1cc(NC(=O)c2cc(F)ccc2[O-])c(C(N)=O)n1 ZINC001420822433 963278717 /nfs/dbraw/zinc/27/87/17/963278717.db2.gz QEIZRHJBRUHLAU-UHFFFAOYSA-N -1 1 292.270 1.099 20 0 CDADMM COc1cc(CNCc2cc(C(=O)[O-])c(C)n2C)ccn1 ZINC000314055608 963704322 /nfs/dbraw/zinc/70/43/22/963704322.db2.gz RUPBEXKTHRFZMX-UHFFFAOYSA-N -1 1 289.335 1.725 20 0 CDADMM Cc1cnn(CCN[C@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC000314634064 963781600 /nfs/dbraw/zinc/78/16/00/963781600.db2.gz JMOJHOKCRNNTBP-SECBINFHSA-N -1 1 280.353 1.697 20 0 CDADMM COc1ccc(OC)c(CNC(=O)c2ccc([O-])cn2)c1 ZINC001440975525 964306187 /nfs/dbraw/zinc/30/61/87/964306187.db2.gz UZXSCKLGPLYFNS-UHFFFAOYSA-N -1 1 288.303 1.734 20 0 CDADMM CN(C(=O)[C@H]1CC[C@H](c2ccccc2)C1)c1nn[n-]n1 ZINC001552962876 964454173 /nfs/dbraw/zinc/45/41/73/964454173.db2.gz SFGTZFXEEYVOTF-RYUDHWBXSA-N -1 1 271.324 1.746 20 0 CDADMM C[C@H](C(=O)N1CC[C@@H](c2nn[n-]n2)C1)C1CCCC1 ZINC001347475008 965544464 /nfs/dbraw/zinc/54/44/64/965544464.db2.gz SBNSLBQSOWPMJI-GXSJLCMTSA-N -1 1 263.345 1.342 20 0 CDADMM C[C@@H](C(=O)N1CC[C@@H](c2nn[n-]n2)C1)C1CCCC1 ZINC001347475012 965544535 /nfs/dbraw/zinc/54/45/35/965544535.db2.gz SBNSLBQSOWPMJI-MWLCHTKSSA-N -1 1 263.345 1.342 20 0 CDADMM COC(=O)C=C([O-])N=[S@](C)(=O)c1ccccc1F ZINC001347597158 965611842 /nfs/dbraw/zinc/61/18/42/965611842.db2.gz ODUQYRILTCHUGA-GOSISDBHSA-N -1 1 273.285 1.372 20 0 CDADMM O=C([O-])[C@@]12CCC[C@H]1N(C(=O)[C@@H]1C[C@@H]1c1cnc[nH]1)CC2 ZINC001550382788 965902564 /nfs/dbraw/zinc/90/25/64/965902564.db2.gz UZWNTTNQENIOAA-PETRGTFGSA-N -1 1 289.335 1.369 20 0 CDADMM Cc1ccnc(C(=O)NCC2(C3(O)CCC3)CCC2)c1[O-] ZINC001550470853 965952726 /nfs/dbraw/zinc/95/27/26/965952726.db2.gz QEPSBPPITGYQAW-UHFFFAOYSA-N -1 1 290.363 1.911 20 0 CDADMM C[C@@H]1CC[C@H](CC(=O)N2CC[C@@H](c3nn[n-]n3)C2)C1 ZINC001349001923 966249015 /nfs/dbraw/zinc/24/90/15/966249015.db2.gz GXAQBGDBZCSARX-OUAUKWLOSA-N -1 1 263.345 1.342 20 0 CDADMM C[C@@H](C(=O)[O-])[C@H](C)NCc1nc(-c2ccco2)no1 ZINC001349582559 966394282 /nfs/dbraw/zinc/39/42/82/966394282.db2.gz XZNMUZVSSWIYJL-SFYZADRCSA-N -1 1 265.269 1.528 20 0 CDADMM CCCC[C@@](C)(F)C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001350225590 966611865 /nfs/dbraw/zinc/61/18/65/966611865.db2.gz VLJGATWUZXAJRW-JOYOIKCWSA-N -1 1 269.324 1.434 20 0 CDADMM O=C([N-]c1nc2cnccn2n1)c1cc(C2CC2)no1 ZINC001350262364 966618668 /nfs/dbraw/zinc/61/86/68/966618668.db2.gz DQRIIXHTPRWPOE-UHFFFAOYSA-N -1 1 270.252 1.242 20 0 CDADMM O=C(NCc1cnn(CC2CCC2)c1)c1cnncc1[O-] ZINC001551607006 966737719 /nfs/dbraw/zinc/73/77/19/966737719.db2.gz PNMDEQHXYGFJRC-UHFFFAOYSA-N -1 1 287.323 1.109 20 0 CDADMM O=C(c1ncccc1[O-])N1CC[C@H]1C1CCOCC1 ZINC001551760689 966802863 /nfs/dbraw/zinc/80/28/63/966802863.db2.gz HQQJSSZEISPUIQ-NSHDSACASA-N -1 1 262.309 1.428 20 0 CDADMM CCn1cc(C(=O)N(C)c2nn[n-]n2)c(-c2ccccc2)n1 ZINC001539047406 967080517 /nfs/dbraw/zinc/08/05/17/967080517.db2.gz CIGVYQACACCUJO-UHFFFAOYSA-N -1 1 297.322 1.360 20 0 CDADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NCc1ccon1 ZINC001448662225 967197520 /nfs/dbraw/zinc/19/75/20/967197520.db2.gz XPXPAVQUGYRHSI-SNVBAGLBSA-N -1 1 290.323 1.026 20 0 CDADMM O=C(Nc1cccc2c1CNC2=O)c1ccc([O-])cn1 ZINC001449096811 967359913 /nfs/dbraw/zinc/35/99/13/967359913.db2.gz FTQJUZMROFNORG-UHFFFAOYSA-N -1 1 269.260 1.283 20 0 CDADMM Cc1nnc(CNC(=O)c2ccc(F)c([O-])c2)o1 ZINC001544574220 967369183 /nfs/dbraw/zinc/36/91/83/967369183.db2.gz HBQMIDMYMUXXTQ-UHFFFAOYSA-N -1 1 251.217 1.153 20 0 CDADMM Cc1cc(CCCC(=O)N(C)c2nn[n-]n2)c(C)s1 ZINC001548471523 967509085 /nfs/dbraw/zinc/50/90/85/967509085.db2.gz QNRLYHOWZURKHU-UHFFFAOYSA-N -1 1 279.369 1.864 20 0 CDADMM O=C([O-])CC[C@H]1CCCCN1C(=O)Cc1ccn[nH]1 ZINC000091948325 967593020 /nfs/dbraw/zinc/59/30/20/967593020.db2.gz BOFRWJSKSPJSGN-LLVKDONJSA-N -1 1 265.313 1.198 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCC(C)(C)C ZINC001548630887 967660549 /nfs/dbraw/zinc/66/05/49/967660549.db2.gz BAJPKAPXTCRYRN-UHFFFAOYSA-N -1 1 255.343 1.555 20 0 CDADMM COc1ccnc(CN2CCC(C(=O)[O-])CC2)c1OC ZINC000232197460 967741790 /nfs/dbraw/zinc/74/17/90/967741790.db2.gz VIOPJCBRNOVNQU-UHFFFAOYSA-N -1 1 280.324 1.395 20 0 CDADMM CC[C@@H](C)CNC(=S)NCCCC[P@](=O)([O-])O ZINC001200273140 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/nfs/dbraw/zinc/58/02/81/574580281.db2.gz CGIGXJPGPJVXBA-LBPRGKRZSA-N -1 1 275.308 1.839 20 0 CDADMM c1ccc([C@@H]2C[C@@H]2Nc2nccnc2-c2nnn[n-]2)cc1 ZINC000738427364 574580972 /nfs/dbraw/zinc/58/09/72/574580972.db2.gz HGLNQLBWDUZGSN-QWRGUYRKSA-N -1 1 279.307 1.625 20 0 CDADMM c1ccc([C@@H]2C[C@@H]2Nc2nccnc2-c2nn[n-]n2)cc1 ZINC000738427364 574580973 /nfs/dbraw/zinc/58/09/73/574580973.db2.gz HGLNQLBWDUZGSN-QWRGUYRKSA-N -1 1 279.307 1.625 20 0 CDADMM O=C([O-])C1CCN(C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000740482338 574631699 /nfs/dbraw/zinc/63/16/99/574631699.db2.gz ZYDNKOURASKTSZ-GFCCVEGCSA-N -1 1 285.290 1.795 20 0 CDADMM COC(=O)c1coc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000737715001 574728169 /nfs/dbraw/zinc/72/81/69/574728169.db2.gz WDQWEADWFCYSHG-GFCCVEGCSA-N -1 1 293.319 1.753 20 0 CDADMM O=C(NOCc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738139704 574754990 /nfs/dbraw/zinc/75/49/90/574754990.db2.gz NXUDBMCYMNSIHQ-UHFFFAOYSA-N -1 1 296.290 1.123 20 0 CDADMM O=C(NOCc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738139704 574754993 /nfs/dbraw/zinc/75/49/93/574754993.db2.gz NXUDBMCYMNSIHQ-UHFFFAOYSA-N -1 1 296.290 1.123 20 0 CDADMM O=C([O-])c1csc(NC(=O)NCCCc2nc[nH]n2)c1 ZINC001601501212 1174886274 /nfs/dbraw/zinc/88/62/74/1174886274.db2.gz FKOFSAGGMPGZPN-UHFFFAOYSA-N -1 1 295.324 1.319 20 0 CDADMM O=C([O-])[C@@H](OC(=O)[C@H]1CCCN1C1CCCC1)C1CC1 ZINC001601690213 1174946533 /nfs/dbraw/zinc/94/65/33/1174946533.db2.gz YWIGLEHUNUZSCJ-OLZOCXBDSA-N -1 1 281.352 1.800 20 0 CDADMM O=C([O-])[C@@H](c1ccccc1F)N1CC[C@](O)(C2CC2)C1 ZINC001601697195 1174948813 /nfs/dbraw/zinc/94/88/13/1174948813.db2.gz ZZPBHTFKWCGIIK-UKRRQHHQSA-N -1 1 279.311 1.798 20 0 CDADMM O=C(C=CSc1ccccc1)NCc1nn[n-]n1 ZINC000732157878 575081908 /nfs/dbraw/zinc/08/19/08/575081908.db2.gz JWWUMHNWDIWNDX-VOTSOKGWSA-N -1 1 261.310 1.122 20 0 CDADMM O=C([O-])[C@]1(F)CCN(C[C@H]2CCC3(CCCC3)O2)C1 ZINC001601717273 1174965462 /nfs/dbraw/zinc/96/54/62/1174965462.db2.gz VPVPANSJVNKMEP-RISCZKNCSA-N -1 1 271.332 1.977 20 0 CDADMM Cc1n[n-]cc1S(=O)(=O)Oc1c(F)cccc1F ZINC000732215164 575083633 /nfs/dbraw/zinc/08/36/33/575083633.db2.gz AIDRRJORKSRZGB-UHFFFAOYSA-N -1 1 274.248 1.764 20 0 CDADMM Cc1[n-]ncc1S(=O)(=O)Oc1c(F)cccc1F ZINC000732215164 575083634 /nfs/dbraw/zinc/08/36/34/575083634.db2.gz AIDRRJORKSRZGB-UHFFFAOYSA-N -1 1 274.248 1.764 20 0 CDADMM Cc1n[n-]cc1S(=O)(=O)Oc1cccc(F)c1F ZINC000732219765 575084184 /nfs/dbraw/zinc/08/41/84/575084184.db2.gz HDCTUYMVBRRPHO-UHFFFAOYSA-N -1 1 274.248 1.764 20 0 CDADMM C[C@H](C(=O)OCc1nc(=O)n(C)[n-]1)c1cccs1 ZINC000765480765 575090350 /nfs/dbraw/zinc/09/03/50/575090350.db2.gz PSRSMHOHFOWVDD-ZETCQYMHSA-N -1 1 267.310 1.017 20 0 CDADMM CN(C)C(=O)C1(C[N-]C(=O)C(F)(F)F)CCCC1 ZINC000733276415 575110448 /nfs/dbraw/zinc/11/04/48/575110448.db2.gz CYISJGZQRNZXEM-UHFFFAOYSA-N -1 1 266.263 1.314 20 0 CDADMM CN(C)C(=O)[C@@H]1CCC[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000734143758 575156778 /nfs/dbraw/zinc/15/67/78/575156778.db2.gz FXNNDXRMRKMULK-HTQZYQBOSA-N -1 1 266.263 1.312 20 0 CDADMM O=C([N-]CCCOC(=O)C1=CCCC1)C(F)(F)F ZINC000774969640 575257106 /nfs/dbraw/zinc/25/71/06/575257106.db2.gz RWIVIHDKQAPTGC-UHFFFAOYSA-N -1 1 265.231 1.709 20 0 CDADMM COc1cccc([N-]S(=O)(=O)C[C@H]2CCCO2)c1F ZINC000769890145 575395214 /nfs/dbraw/zinc/39/52/14/575395214.db2.gz MZITVLNLLQIXCG-SECBINFHSA-N -1 1 289.328 1.755 20 0 CDADMM Cc1nc(CC(C)C)sc1C(=O)[N-]N1CCCC1=O ZINC000770544353 575464135 /nfs/dbraw/zinc/46/41/35/575464135.db2.gz GXMKKYAXMSRHCC-UHFFFAOYSA-N -1 1 281.381 1.917 20 0 CDADMM C[C@@H](C(=O)n1ncc(-c2nn[n-]n2)c1N)c1cccs1 ZINC000735572081 575487060 /nfs/dbraw/zinc/48/70/60/575487060.db2.gz QNCORENVJXUNRQ-ZCFIWIBFSA-N -1 1 289.324 1.151 20 0 CDADMM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3ncccc32)c1 ZINC000771065485 575542712 /nfs/dbraw/zinc/54/27/12/575542712.db2.gz BYQXQXDCQFQNNF-UHFFFAOYSA-N -1 1 297.314 1.949 20 0 CDADMM C[C@H](C(=O)NCC(=O)[O-])N1CCCc2ccccc2C1 ZINC000736210318 575590379 /nfs/dbraw/zinc/59/03/79/575590379.db2.gz XVHSNDRENCGZEQ-LLVKDONJSA-N -1 1 276.336 1.024 20 0 CDADMM C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736231285 575595019 /nfs/dbraw/zinc/59/50/19/575595019.db2.gz WUHVWDWBUHPJKH-RKDXNWHRSA-N -1 1 272.312 1.132 20 0 CDADMM C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736231285 575595022 /nfs/dbraw/zinc/59/50/22/575595022.db2.gz WUHVWDWBUHPJKH-RKDXNWHRSA-N -1 1 272.312 1.132 20 0 CDADMM C/C=C/C[C@H](CO)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000771614099 575596927 /nfs/dbraw/zinc/59/69/27/575596927.db2.gz WRYSITNIPRXKRB-MVIFTORASA-N -1 1 293.367 1.671 20 0 CDADMM CC(C)[C@@H]1CC(=O)N(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)C1 ZINC000736392980 575647700 /nfs/dbraw/zinc/64/77/00/575647700.db2.gz YIORHAJSWPMEST-CHWSQXEVSA-N -1 1 294.395 1.635 20 0 CDADMM CC[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC000736404776 575649552 /nfs/dbraw/zinc/64/95/52/575649552.db2.gz AVVGOOKLCNQEAM-VHSXEESVSA-N -1 1 274.328 1.265 20 0 CDADMM CC[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC000736404776 575649555 /nfs/dbraw/zinc/64/95/55/575649555.db2.gz AVVGOOKLCNQEAM-VHSXEESVSA-N -1 1 274.328 1.265 20 0 CDADMM CC[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@@H](C)O1 ZINC000736404774 575650145 /nfs/dbraw/zinc/65/01/45/575650145.db2.gz AVVGOOKLCNQEAM-NXEZZACHSA-N -1 1 274.328 1.265 20 0 CDADMM CC[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@@H](C)O1 ZINC000736404774 575650146 /nfs/dbraw/zinc/65/01/46/575650146.db2.gz AVVGOOKLCNQEAM-NXEZZACHSA-N -1 1 274.328 1.265 20 0 CDADMM CCCC(=O)COC(=O)c1sccc1-c1nn[n-]n1 ZINC000736409984 575653022 /nfs/dbraw/zinc/65/30/22/575653022.db2.gz JFVALOZHVDAUKM-UHFFFAOYSA-N -1 1 280.309 1.454 20 0 CDADMM CCC[C@@H](NC(=O)Cc1ccn(C(C)C)n1)c1nn[n-]n1 ZINC000736431569 575659265 /nfs/dbraw/zinc/65/92/65/575659265.db2.gz MXEYCQOYGQRHKH-LLVKDONJSA-N -1 1 291.359 1.177 20 0 CDADMM C[C@@](O)(CN[C@H](c1ccccc1)c1ccccn1)C(=O)[O-] ZINC000736677662 575718016 /nfs/dbraw/zinc/71/80/16/575718016.db2.gz QIZPUBQIAWFWGE-GDBMZVCRSA-N -1 1 286.331 1.596 20 0 CDADMM CC1(C)[C@@H]2CN(CC(=O)Nc3ccccc3C(=O)[O-])C[C@@H]21 ZINC000736726600 575729462 /nfs/dbraw/zinc/72/94/62/575729462.db2.gz OYNPMZISIZYWTP-TXEJJXNPSA-N -1 1 288.347 1.911 20 0 CDADMM C[C@H]1CCCC[C@H]1N(C)C(=O)CNC(C)(C)C(=O)[O-] ZINC000736784371 575743938 /nfs/dbraw/zinc/74/39/38/575743938.db2.gz IDOMRIDAQXPBLS-WDEREUQCSA-N -1 1 270.373 1.476 20 0 CDADMM O=C(c1cc(Cl)c[nH]1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773160703 575786909 /nfs/dbraw/zinc/78/69/09/575786909.db2.gz VSLKPIBKUCSGFE-QMMMGPOBSA-N -1 1 298.759 1.112 20 0 CDADMM C[C@H](CN(C)C(=O)[C@H](F)Cc1ccccc1)c1nn[n-]n1 ZINC000774005094 575848000 /nfs/dbraw/zinc/84/80/00/575848000.db2.gz RABISEZQTSHSSO-ZYHUDNBSSA-N -1 1 291.330 1.342 20 0 CDADMM CCOCCN1CCN(Cc2ccoc2C(=O)[O-])C[C@@H]1C ZINC000737177075 575895651 /nfs/dbraw/zinc/89/56/51/575895651.db2.gz MVVHGQLOSZWUHQ-LBPRGKRZSA-N -1 1 296.367 1.520 20 0 CDADMM Cc1cc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)on1 ZINC000737265619 575924719 /nfs/dbraw/zinc/92/47/19/575924719.db2.gz YDYINABYJSEUNU-UHFFFAOYSA-N -1 1 291.702 1.824 20 0 CDADMM Cc1cc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)on1 ZINC000737265619 575924721 /nfs/dbraw/zinc/92/47/21/575924721.db2.gz YDYINABYJSEUNU-UHFFFAOYSA-N -1 1 291.702 1.824 20 0 CDADMM Cc1ccc(OCCNc2nccnc2-c2nnn[n-]2)cc1 ZINC000737364704 575947514 /nfs/dbraw/zinc/94/75/14/575947514.db2.gz CQPSYYKWEWDEOW-UHFFFAOYSA-N -1 1 297.322 1.456 20 0 CDADMM Cc1ccc(OCCNc2nccnc2-c2nn[n-]n2)cc1 ZINC000737364704 575947516 /nfs/dbraw/zinc/94/75/16/575947516.db2.gz CQPSYYKWEWDEOW-UHFFFAOYSA-N -1 1 297.322 1.456 20 0 CDADMM CN(CC(=O)Nc1cccc(C(=O)[O-])c1)CC(C)(C)O ZINC000737397785 575955575 /nfs/dbraw/zinc/95/55/75/575955575.db2.gz ZMFAHBRWMKSVPO-UHFFFAOYSA-N -1 1 280.324 1.026 20 0 CDADMM CN1CCCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000737516567 575980962 /nfs/dbraw/zinc/98/09/62/575980962.db2.gz BVZFVCCLRKOWOM-KBPBESRZSA-N -1 1 290.363 1.283 20 0 CDADMM O=C(C=C1CCCCC1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000765109519 575987965 /nfs/dbraw/zinc/98/79/65/575987965.db2.gz NBFDHSQFYIREMR-GFCCVEGCSA-N 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C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](N2CCCC2=O)C1 ZINC000833547939 605056418 /nfs/dbraw/zinc/05/64/18/605056418.db2.gz ZANRXJNXWZOZDU-WDEREUQCSA-N -1 1 292.335 1.736 20 0 CDADMM CCN1C[C@@H](C)N(C(=O)NCC(C)(C)C(=O)[O-])C[C@@H]1C ZINC000833658756 605123179 /nfs/dbraw/zinc/12/31/79/605123179.db2.gz VARYLVBMFHEKTR-WDEREUQCSA-N -1 1 285.388 1.221 20 0 CDADMM CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000820348584 605132737 /nfs/dbraw/zinc/13/27/37/605132737.db2.gz ZKRIMCAWBUQKEF-NEPJUHHUSA-N -1 1 290.363 1.940 20 0 CDADMM CCN1C[C@H](C)N(C(=O)c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000820348584 605132739 /nfs/dbraw/zinc/13/27/39/605132739.db2.gz ZKRIMCAWBUQKEF-NEPJUHHUSA-N -1 1 290.363 1.940 20 0 CDADMM CN1CCN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C(C)(C)C1 ZINC000833698074 605180191 /nfs/dbraw/zinc/18/01/91/605180191.db2.gz YBPUQERCSQGLQJ-NWDGAFQWSA-N -1 1 282.384 1.430 20 0 CDADMM CC(C)(CC(=O)[O-])[NH2+]Cc1cc(=O)oc2cc([O-])ccc12 ZINC000833456309 605241547 /nfs/dbraw/zinc/24/15/47/605241547.db2.gz RPCNMJJESBNEHX-UHFFFAOYSA-N -1 1 291.303 1.842 20 0 CDADMM C[C@H]1CN(C(=O)[C@H]2CC=CCC2)CCN1CCC(=O)[O-] ZINC000833618440 605256298 /nfs/dbraw/zinc/25/62/98/605256298.db2.gz OAGMJRRZRFSCKD-STQMWFEESA-N -1 1 280.368 1.350 20 0 CDADMM CCC[C@@H](C(=O)Nc1ccc(C(=O)[O-])nc1)N(C)C ZINC000833648891 605257008 /nfs/dbraw/zinc/25/70/08/605257008.db2.gz ZTJQOGNPPAVTFG-NSHDSACASA-N -1 1 265.313 1.449 20 0 CDADMM Cc1cc(C[C@@H](C)NC(=O)[C@@H](NC(=O)[O-])C(C)C)n[nH]1 ZINC000830029433 605435255 /nfs/dbraw/zinc/43/52/55/605435255.db2.gz GPYLISSBQJZIHX-KCJUWKMLSA-N -1 1 282.344 1.058 20 0 CDADMM CC(C)(C)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819891903 606135266 /nfs/dbraw/zinc/13/52/66/606135266.db2.gz KRWKGZWGFNUDID-UHFFFAOYSA-N -1 1 294.336 1.700 20 0 CDADMM CC(C)(C)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819891903 606135268 /nfs/dbraw/zinc/13/52/68/606135268.db2.gz KRWKGZWGFNUDID-UHFFFAOYSA-N -1 1 294.336 1.700 20 0 CDADMM OCC1(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CCCC1 ZINC000823712955 606227201 /nfs/dbraw/zinc/22/72/01/606227201.db2.gz AKIXNLLSRNBWRG-UHFFFAOYSA-N -1 1 294.746 1.632 20 0 CDADMM OCC1(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CCCC1 ZINC000823712955 606227203 /nfs/dbraw/zinc/22/72/03/606227203.db2.gz AKIXNLLSRNBWRG-UHFFFAOYSA-N -1 1 294.746 1.632 20 0 CDADMM CCC[C@@H]1C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821033454 606444290 /nfs/dbraw/zinc/44/42/90/606444290.db2.gz BGAGUDGTFIMMHH-LDYMZIIASA-N -1 1 272.312 1.180 20 0 CDADMM CCC[C@@H]1C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821033454 606444292 /nfs/dbraw/zinc/44/42/92/606444292.db2.gz BGAGUDGTFIMMHH-LDYMZIIASA-N -1 1 272.312 1.180 20 0 CDADMM C[C@H]1C[C@@H]1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820666167 606453130 /nfs/dbraw/zinc/45/31/30/606453130.db2.gz HCSDAEWGEBJCLS-NKWVEPMBSA-N -1 1 264.720 1.983 20 0 CDADMM C[C@H]1C[C@@H]1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820666167 606453132 /nfs/dbraw/zinc/45/31/32/606453132.db2.gz HCSDAEWGEBJCLS-NKWVEPMBSA-N -1 1 264.720 1.983 20 0 CDADMM CCC(CC)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820897358 606486806 /nfs/dbraw/zinc/48/68/06/606486806.db2.gz BCDNGCDKBVRTPI-UHFFFAOYSA-N -1 1 265.342 1.847 20 0 CDADMM CCC(CC)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820897358 606486807 /nfs/dbraw/zinc/48/68/07/606486807.db2.gz BCDNGCDKBVRTPI-UHFFFAOYSA-N -1 1 265.342 1.847 20 0 CDADMM CC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820988931 606689843 /nfs/dbraw/zinc/68/98/43/606689843.db2.gz JIVKFRBJWHBRQD-QMMMGPOBSA-N -1 1 277.353 1.800 20 0 CDADMM CC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820988931 606689844 /nfs/dbraw/zinc/68/98/44/606689844.db2.gz JIVKFRBJWHBRQD-QMMMGPOBSA-N -1 1 277.353 1.800 20 0 CDADMM C[C@@H]1CCC(=CC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000820678656 606828357 /nfs/dbraw/zinc/82/83/57/606828357.db2.gz WWHSAARMOGUWMC-BESBCXERSA-N -1 1 273.300 1.032 20 0 CDADMM FC1(F)CC[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000822736972 606881535 /nfs/dbraw/zinc/88/15/35/606881535.db2.gz MZZNXEBYFPDMBO-SSDOTTSWSA-N -1 1 266.255 1.861 20 0 CDADMM FC1(F)CC[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000822736972 606881536 /nfs/dbraw/zinc/88/15/36/606881536.db2.gz MZZNXEBYFPDMBO-SSDOTTSWSA-N -1 1 266.255 1.861 20 0 CDADMM Cc1ccsc1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822379648 607023958 /nfs/dbraw/zinc/02/39/58/607023958.db2.gz RTFFDEJIPCHCJX-UHFFFAOYSA-N -1 1 292.349 1.945 20 0 CDADMM Cc1ccsc1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822379648 607023960 /nfs/dbraw/zinc/02/39/60/607023960.db2.gz RTFFDEJIPCHCJX-UHFFFAOYSA-N -1 1 292.349 1.945 20 0 CDADMM CC(C)CO[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000820103258 607044113 /nfs/dbraw/zinc/04/41/13/607044113.db2.gz RHZMPWIDYLTKHQ-NSHDSACASA-N -1 1 288.355 1.513 20 0 CDADMM CC(C)CO[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000820103258 607044115 /nfs/dbraw/zinc/04/41/15/607044115.db2.gz RHZMPWIDYLTKHQ-NSHDSACASA-N -1 1 288.355 1.513 20 0 CDADMM C1=CCC(Nc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000819718794 607118337 /nfs/dbraw/zinc/11/83/37/607118337.db2.gz QLQNBHADHZJSCW-UHFFFAOYSA-N -1 1 279.307 1.940 20 0 CDADMM C1=CCC(Nc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000819718794 607118339 /nfs/dbraw/zinc/11/83/39/607118339.db2.gz QLQNBHADHZJSCW-UHFFFAOYSA-N -1 1 279.307 1.940 20 0 CDADMM O=C(N[C@H]1CC2CCC1CC2)c1ccc(-c2nnn[n-]2)nc1 ZINC000823145208 607168225 /nfs/dbraw/zinc/16/82/25/607168225.db2.gz PADQBUWZDPGBCP-ZPPKWKGLSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(N[C@H]1CC2CCC1CC2)c1ccc(-c2nn[n-]n2)nc1 ZINC000823145208 607168226 /nfs/dbraw/zinc/16/82/26/607168226.db2.gz PADQBUWZDPGBCP-ZPPKWKGLSA-N -1 1 298.350 1.570 20 0 CDADMM Fc1cccc(OC[C@H]2CCCCO2)c1-c1nnn[n-]1 ZINC000826377825 607864641 /nfs/dbraw/zinc/86/46/41/607864641.db2.gz HWBKXIIRVAFGAV-SECBINFHSA-N -1 1 278.287 1.954 20 0 CDADMM Fc1cccc(OC[C@H]2CCCCO2)c1-c1nn[n-]n1 ZINC000826377825 607864642 /nfs/dbraw/zinc/86/46/42/607864642.db2.gz HWBKXIIRVAFGAV-SECBINFHSA-N -1 1 278.287 1.954 20 0 CDADMM Fc1cccc(OC[C@@H]2CCOC2)c1-c1nnn[n-]1 ZINC000826377727 607864840 /nfs/dbraw/zinc/86/48/40/607864840.db2.gz DAAURUSPFLMYPG-MRVPVSSYSA-N -1 1 264.260 1.421 20 0 CDADMM Fc1cccc(OC[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826377727 607864841 /nfs/dbraw/zinc/86/48/41/607864841.db2.gz DAAURUSPFLMYPG-MRVPVSSYSA-N -1 1 264.260 1.421 20 0 CDADMM COC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccco1 ZINC000826151591 607901789 /nfs/dbraw/zinc/90/17/89/607901789.db2.gz FLDRMPRKNWRRCI-SNVBAGLBSA-N -1 1 286.295 1.654 20 0 CDADMM COC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccco1 ZINC000826151591 607901790 /nfs/dbraw/zinc/90/17/90/607901790.db2.gz FLDRMPRKNWRRCI-SNVBAGLBSA-N -1 1 286.295 1.654 20 0 CDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccncc1 ZINC000824723655 607959353 /nfs/dbraw/zinc/95/93/53/607959353.db2.gz TWEJMTVGMSSOGX-SECBINFHSA-N -1 1 296.290 1.575 20 0 CDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccncc1 ZINC000824723655 607959354 /nfs/dbraw/zinc/95/93/54/607959354.db2.gz TWEJMTVGMSSOGX-SECBINFHSA-N -1 1 296.290 1.575 20 0 CDADMM CC(C)(CO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000824163125 608170563 /nfs/dbraw/zinc/17/05/63/608170563.db2.gz YVGQPNGLJDBGSH-UHFFFAOYSA-N -1 1 274.737 1.159 20 0 CDADMM CC(C)(CO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000824163125 608170564 /nfs/dbraw/zinc/17/05/64/608170564.db2.gz YVGQPNGLJDBGSH-UHFFFAOYSA-N -1 1 274.737 1.159 20 0 CDADMM COCCSc1snc(Cl)c1-c1nnn[n-]1 ZINC000826163342 608187472 /nfs/dbraw/zinc/18/74/72/608187472.db2.gz PRYJMKYADKEBOW-UHFFFAOYSA-N -1 1 277.762 1.715 20 0 CDADMM COCCSc1snc(Cl)c1-c1nn[n-]n1 ZINC000826163342 608187473 /nfs/dbraw/zinc/18/74/73/608187473.db2.gz PRYJMKYADKEBOW-UHFFFAOYSA-N -1 1 277.762 1.715 20 0 CDADMM COc1ccccc1[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826218622 608389781 /nfs/dbraw/zinc/38/97/81/608389781.db2.gz HPUWYUJWIFBTDC-SECBINFHSA-N -1 1 297.322 1.838 20 0 CDADMM COc1ccccc1[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826218622 608389783 /nfs/dbraw/zinc/38/97/83/608389783.db2.gz HPUWYUJWIFBTDC-SECBINFHSA-N -1 1 297.322 1.838 20 0 CDADMM Clc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)o1 ZINC000826352226 608391842 /nfs/dbraw/zinc/39/18/42/608391842.db2.gz SZPATMSXOZIODO-UHFFFAOYSA-N -1 1 277.675 1.515 20 0 CDADMM Clc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)o1 ZINC000826352226 608391844 /nfs/dbraw/zinc/39/18/44/608391844.db2.gz SZPATMSXOZIODO-UHFFFAOYSA-N -1 1 277.675 1.515 20 0 CDADMM C[C@@H]1CCCC[C@@H]1N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824936452 608394387 /nfs/dbraw/zinc/39/43/87/608394387.db2.gz HJEKHOFLJDZJFH-KOLCDFICSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1CCCC[C@@H]1N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824936452 608394389 /nfs/dbraw/zinc/39/43/89/608394389.db2.gz HJEKHOFLJDZJFH-KOLCDFICSA-N -1 1 273.344 1.672 20 0 CDADMM CCCCCS(=O)(=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825275806 608395768 /nfs/dbraw/zinc/39/57/68/608395768.db2.gz BPZGAZZBNCWFFO-UHFFFAOYSA-N -1 1 295.368 1.367 20 0 CDADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)c2ccccc21 ZINC000824992089 608400179 /nfs/dbraw/zinc/40/01/79/608400179.db2.gz JWJQSYGCOVDVKX-SECBINFHSA-N -1 1 279.307 1.912 20 0 CDADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)c2ccccc21 ZINC000824992089 608400180 /nfs/dbraw/zinc/40/01/80/608400180.db2.gz JWJQSYGCOVDVKX-SECBINFHSA-N -1 1 279.307 1.912 20 0 CDADMM Cc1nc(Sc2ccc(-c3nnn[n-]3)nn2)sc1C ZINC000826327396 608425483 /nfs/dbraw/zinc/42/54/83/608425483.db2.gz GETCEYRKHGPXPX-UHFFFAOYSA-N -1 1 291.365 1.881 20 0 CDADMM Cc1nc(Sc2ccc(-c3nn[n-]n3)nn2)sc1C ZINC000826327396 608425484 /nfs/dbraw/zinc/42/54/84/608425484.db2.gz GETCEYRKHGPXPX-UHFFFAOYSA-N -1 1 291.365 1.881 20 0 CDADMM C[C@H]1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC000824915188 609389413 /nfs/dbraw/zinc/38/94/13/609389413.db2.gz CBNSRLYROGHGEE-IINYFYTJSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@H]1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC000824915188 609389415 /nfs/dbraw/zinc/38/94/15/609389415.db2.gz CBNSRLYROGHGEE-IINYFYTJSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@@]1(C2CC2)COCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000890586667 617221797 /nfs/dbraw/zinc/22/17/97/617221797.db2.gz NFFVZZHTPHMFLM-INIZCTEOSA-N -1 1 289.331 1.602 20 0 CDADMM O=C([N-][C@H]1Cc2ccccc2[C@@H]1O)C(F)(F)C(F)F ZINC000891084466 617360835 /nfs/dbraw/zinc/36/08/35/617360835.db2.gz ILYIGUPTSVSZKB-IUCAKERBSA-N -1 1 277.217 1.661 20 0 CDADMM O=C([N-]OCC(F)F)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC000935388449 617398126 /nfs/dbraw/zinc/39/81/26/617398126.db2.gz KSUCVIUPDHVADY-SDBXPKJASA-N -1 1 282.246 1.209 20 0 CDADMM CCO[C@@H]1CCCN(c2cc(=O)[n-]c(COC)n2)C1 ZINC000891998681 617398497 /nfs/dbraw/zinc/39/84/97/617398497.db2.gz VHRMAFDPIJHWAL-SNVBAGLBSA-N -1 1 267.329 1.334 20 0 CDADMM CCc1nc(CN(C)c2cc(=O)[n-]c(COC)n2)cs1 ZINC000892000687 617399532 /nfs/dbraw/zinc/39/95/32/617399532.db2.gz SVJMEMWKLFPVEK-UHFFFAOYSA-N -1 1 294.380 1.984 20 0 CDADMM C[C@H](COc1ccccc1)NC(=O)c1ncccc1[O-] ZINC000725888454 617432135 /nfs/dbraw/zinc/43/21/35/617432135.db2.gz NRNWKPBAWXMYEG-LLVKDONJSA-N -1 1 272.304 1.985 20 0 CDADMM CC[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000937861469 615425543 /nfs/dbraw/zinc/42/55/43/615425543.db2.gz SPZMLTHOSWLADD-MNOVXSKESA-N -1 1 291.351 1.164 20 0 CDADMM COCc1nc(N2CCC[C@@H]2c2cc(C)on2)cc(=O)[n-]1 ZINC000891700916 617545698 /nfs/dbraw/zinc/54/56/98/617545698.db2.gz SYEWUJHXLFWVPX-LLVKDONJSA-N -1 1 290.323 1.967 20 0 CDADMM COCc1nc(NC[C@@H](O)c2ccc(F)cc2)cc(=O)[n-]1 ZINC000891772218 617578556 /nfs/dbraw/zinc/57/85/56/617578556.db2.gz YXVBWZOOPADZLB-LLVKDONJSA-N -1 1 293.298 1.613 20 0 CDADMM CN(C(=O)c1ccc(C2CCC2)cc1)c1nn[n-]n1 ZINC000892955194 617973568 /nfs/dbraw/zinc/97/35/68/617973568.db2.gz YJNJCJRHXSBUDB-UHFFFAOYSA-N -1 1 257.297 1.744 20 0 CDADMM COC(=O)[C@@H]1CCCC[C@]1(C)[N-]C(=O)C(F)(F)F ZINC000849384446 617825885 /nfs/dbraw/zinc/82/58/85/617825885.db2.gz RTOMEFTZHIFAHN-XVKPBYJWSA-N -1 1 267.247 1.787 20 0 CDADMM CC[C@@]1(C)CCN(c2cc(=O)[n-]c(COC)n2)C1 ZINC000892898971 617877510 /nfs/dbraw/zinc/87/75/10/617877510.db2.gz CGRGEULGWYLEKB-ZDUSSCGKSA-N -1 1 251.330 1.955 20 0 CDADMM Cc1c(C(=O)N(C)c2nn[n-]n2)cnn1CCC(C)C ZINC000892954258 617974944 /nfs/dbraw/zinc/97/49/44/617974944.db2.gz GXXSYJPXJZQIJY-UHFFFAOYSA-N -1 1 277.332 1.027 20 0 CDADMM CO[C@H]1COCC[C@H]1N(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000893835462 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266.232 1.427 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC1(F)CC1 ZINC001606168798 1163797707 /nfs/dbraw/zinc/79/77/07/1163797707.db2.gz ACXXWQIFIHUBRT-UHFFFAOYSA-N -1 1 266.232 1.427 20 0 CDADMM CN1CC[C@@H]1CNc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001606218612 1163815346 /nfs/dbraw/zinc/81/53/46/1163815346.db2.gz JKRDBVHFYGNFGK-SSDOTTSWSA-N -1 1 289.257 1.915 20 0 CDADMM CNC(=O)[C@@H](NCc1ccc(/C=C/C(=O)[O-])o1)C(C)C ZINC001606279833 1163836510 /nfs/dbraw/zinc/83/65/10/1163836510.db2.gz VDOBLMJEYWXURP-YBJDMEARSA-N -1 1 280.324 1.238 20 0 CDADMM FCCOCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001606302516 1163841927 /nfs/dbraw/zinc/84/19/27/1163841927.db2.gz HCPAXLPQHYMFMI-UHFFFAOYSA-N -1 1 292.727 1.375 20 0 CDADMM FCCOCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001606302516 1163841933 /nfs/dbraw/zinc/84/19/33/1163841933.db2.gz HCPAXLPQHYMFMI-UHFFFAOYSA-N -1 1 292.727 1.375 20 0 CDADMM FC1(F)CCC[C@H]1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001606300572 1163846368 /nfs/dbraw/zinc/84/63/68/1163846368.db2.gz WPMVBYZIGIUETA-ZETCQYMHSA-N 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/nfs/dbraw/zinc/95/23/76/1163952376.db2.gz HBTYLPLBVQMCRQ-LPEHRKFASA-N -1 1 284.323 1.180 20 0 CDADMM O=C(NC[C@@H]1CCCC1=O)c1ccc(-c2nnn[n-]2)s1 ZINC001606727028 1163973145 /nfs/dbraw/zinc/97/31/45/1163973145.db2.gz LPYZKOLEJMWSJY-ZETCQYMHSA-N -1 1 291.336 1.027 20 0 CDADMM O=C(NC[C@@H]1CCCC1=O)c1ccc(-c2nn[n-]n2)s1 ZINC001606727028 1163973148 /nfs/dbraw/zinc/97/31/48/1163973148.db2.gz LPYZKOLEJMWSJY-ZETCQYMHSA-N -1 1 291.336 1.027 20 0 CDADMM O=C(NC/C=C/C1CC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606753926 1163983030 /nfs/dbraw/zinc/98/30/30/1163983030.db2.gz ICZDLKGIBKOGBY-OWOJBTEDSA-N -1 1 285.311 1.349 20 0 CDADMM O=C(NC/C=C/C1CC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606753926 1163983034 /nfs/dbraw/zinc/98/30/34/1163983034.db2.gz ICZDLKGIBKOGBY-OWOJBTEDSA-N -1 1 285.311 1.349 20 0 CDADMM O=C(NCCc1ccc(O)cc1)c1coc(-c2nnn[n-]2)c1 ZINC001606795196 1163995418 /nfs/dbraw/zinc/99/54/18/1163995418.db2.gz XEUCXVRRCUBOJR-UHFFFAOYSA-N -1 1 299.290 1.138 20 0 CDADMM O=C(NCCc1ccc(O)cc1)c1coc(-c2nn[n-]n2)c1 ZINC001606795196 1163995422 /nfs/dbraw/zinc/99/54/22/1163995422.db2.gz XEUCXVRRCUBOJR-UHFFFAOYSA-N -1 1 299.290 1.138 20 0 CDADMM COC[C@H](NCc1cc(C)c(C(=O)[O-])o1)[C@H]1CCCO1 ZINC001606814141 1164000557 /nfs/dbraw/zinc/00/05/57/1164000557.db2.gz BWCQKEYKDDLTEB-NWDGAFQWSA-N -1 1 283.324 1.570 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C12CC(C1)C2 ZINC001606897749 1164027081 /nfs/dbraw/zinc/02/70/81/1164027081.db2.gz MTWLZICPTOCFPT-UHFFFAOYSA-N -1 1 271.280 1.311 20 0 CDADMM O=C(Nc1cnnc(Cl)c1)c1coc(-c2nnn[n-]2)c1 ZINC001606947950 1164036234 /nfs/dbraw/zinc/03/62/34/1164036234.db2.gz UEZAHSPGSNRBED-UHFFFAOYSA-N -1 1 291.658 1.155 20 0 CDADMM O=C(Nc1cnnc(Cl)c1)c1coc(-c2nn[n-]n2)c1 ZINC001606947950 1164036241 /nfs/dbraw/zinc/03/62/41/1164036241.db2.gz UEZAHSPGSNRBED-UHFFFAOYSA-N -1 1 291.658 1.155 20 0 CDADMM O=C(OC[C@H]1C[C@H]2C[C@H]2C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606974040 1164045866 /nfs/dbraw/zinc/04/58/66/1164045866.db2.gz UXGKSIDLTFZLRB-UIKWRGBMSA-N -1 1 285.307 1.465 20 0 CDADMM O=C(OC[C@H]1C[C@H]2C[C@H]2C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606974040 1164045870 /nfs/dbraw/zinc/04/58/70/1164045870.db2.gz UXGKSIDLTFZLRB-UIKWRGBMSA-N -1 1 285.307 1.465 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)[C@H]1CCSC1 ZINC001606979372 1164047550 /nfs/dbraw/zinc/04/75/50/1164047550.db2.gz WLPLESXCAJJRCT-ZETCQYMHSA-N -1 1 296.377 1.725 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@@H]2CCCC[C@@H]21 ZINC001607022294 1164063823 /nfs/dbraw/zinc/06/38/23/1164063823.db2.gz RBSPZZVGMBWRAD-GWCFXTLKSA-N -1 1 298.350 1.666 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@@H]2CCCC[C@@H]21 ZINC001607022294 1164063826 /nfs/dbraw/zinc/06/38/26/1164063826.db2.gz RBSPZZVGMBWRAD-GWCFXTLKSA-N -1 1 298.350 1.666 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@@H]2C[C@@H]21 ZINC001607033507 1164065468 /nfs/dbraw/zinc/06/54/68/1164065468.db2.gz UDMXPSIRBLLWSZ-APPZFPTMSA-N -1 1 259.269 1.084 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@@H]2C[C@@H]21 ZINC001607033507 1164065473 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CCc1csc(NC(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001609254151 1164866058 /nfs/dbraw/zinc/86/60/58/1164866058.db2.gz MASUEVHFINVXOC-UHFFFAOYSA-N -1 1 290.308 1.731 20 0 CDADMM CO[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)CC[C@H]1C ZINC001609315791 1164896105 /nfs/dbraw/zinc/89/61/05/1164896105.db2.gz UAQWECKIBXMHAT-KOLCDFICSA-N -1 1 274.328 1.123 20 0 CDADMM CO[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)CC[C@H]1C ZINC001609315791 1164896110 /nfs/dbraw/zinc/89/61/10/1164896110.db2.gz UAQWECKIBXMHAT-KOLCDFICSA-N -1 1 274.328 1.123 20 0 CDADMM COC[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001609320172 1164899371 /nfs/dbraw/zinc/89/93/71/1164899371.db2.gz ZRXCPFVIUNAOEL-LLVKDONJSA-N -1 1 288.355 1.515 20 0 CDADMM COC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001609320172 1164899380 /nfs/dbraw/zinc/89/93/80/1164899380.db2.gz ZRXCPFVIUNAOEL-LLVKDONJSA-N -1 1 288.355 1.515 20 0 CDADMM Cc1cc(N2CCC(F)(F)CC2)cc(-c2nnn[n-]2)n1 ZINC001609404843 1164931871 /nfs/dbraw/zinc/93/18/71/1164931871.db2.gz MPKYEAVBJWHSDY-UHFFFAOYSA-N -1 1 280.282 1.806 20 0 CDADMM Cc1cc(N2CCC(F)(F)CC2)cc(-c2nn[n-]n2)n1 ZINC001609404843 1164931873 /nfs/dbraw/zinc/93/18/73/1164931873.db2.gz MPKYEAVBJWHSDY-UHFFFAOYSA-N -1 1 280.282 1.806 20 0 CDADMM Cc1ccnc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001609438805 1164949067 /nfs/dbraw/zinc/94/90/67/1164949067.db2.gz KKEYGGUCZUIZQE-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1ccnc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001609438805 1164949071 /nfs/dbraw/zinc/94/90/71/1164949071.db2.gz KKEYGGUCZUIZQE-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1[nH]nc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)c1C ZINC001609444475 1164951370 /nfs/dbraw/zinc/95/13/70/1164951370.db2.gz DUVWIQAEMCLITD-UHFFFAOYSA-N -1 1 287.283 1.360 20 0 CDADMM Cc1[nH]nc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)c1C ZINC001609444475 1164951377 /nfs/dbraw/zinc/95/13/77/1164951377.db2.gz DUVWIQAEMCLITD-UHFFFAOYSA-N -1 1 287.283 1.360 20 0 CDADMM Cc1noc(C)c1N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609462861 1164961641 /nfs/dbraw/zinc/96/16/41/1164961641.db2.gz 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ZINC001610572524 1165361435 /nfs/dbraw/zinc/36/14/35/1165361435.db2.gz FXPNFHAUXRXSPZ-MRVPVSSYSA-N -1 1 288.307 1.231 20 0 CDADMM O=C([O-])c1cc(F)ccc1CN1CC[C@@H](n2cncn2)C1 ZINC001610813387 1165451337 /nfs/dbraw/zinc/45/13/37/1165451337.db2.gz VVLHLYJEQUCJAQ-GFCCVEGCSA-N -1 1 290.298 1.562 20 0 CDADMM O=C([O-])c1ccc(-c2nc([C@H]3CCCN3)no2)nc1 ZINC001610817979 1165452556 /nfs/dbraw/zinc/45/25/56/1165452556.db2.gz AKJDUUNXMWYVGK-MRVPVSSYSA-N -1 1 260.253 1.254 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2nc3c(s2)CCC3)c1[O-] ZINC001623378518 1165768915 /nfs/dbraw/zinc/76/89/15/1165768915.db2.gz NLZVRVWXHYCAOV-UHFFFAOYSA-N -1 1 264.310 1.621 20 0 CDADMM CCC(CC)(NC(=O)c1cc2c[nH]ccc-2n1)c1nn[n-]n1 ZINC001626909218 1165966457 /nfs/dbraw/zinc/96/64/57/1165966457.db2.gz YUZSIWDJEHOIHK-UHFFFAOYSA-N -1 1 299.338 1.521 20 0 CDADMM O=C(NCc1ncc[nH]1)c1ccc2ccc(O)cc2c1[O-] ZINC001629200181 1166122443 /nfs/dbraw/zinc/12/24/43/1166122443.db2.gz MBIKVCIOJWVMGR-UHFFFAOYSA-N -1 1 283.287 1.904 20 0 CDADMM CCOc1ncccc1NC(=O)c1ccc([O-])cn1 ZINC001629820957 1166165070 /nfs/dbraw/zinc/16/50/70/1166165070.db2.gz SDUQSORLZZSAOL-UHFFFAOYSA-N -1 1 259.265 1.833 20 0 CDADMM Cc1ccc([C@@H](O)CNC(=O)c2ccc([O-])cn2)o1 ZINC001630019219 1166180649 /nfs/dbraw/zinc/18/06/49/1166180649.db2.gz QOIIWTDBDQFIRF-NSHDSACASA-N -1 1 262.265 1.152 20 0 CDADMM COc1ccccc1Oc1cnc(-c2nnn[n-]2)cn1 ZINC000095307107 1166617785 /nfs/dbraw/zinc/61/77/85/1166617785.db2.gz HZCFIWPIDQDQRP-UHFFFAOYSA-N -1 1 270.252 1.458 20 0 CDADMM COc1ccccc1Oc1cnc(-c2nn[n-]n2)cn1 ZINC000095307107 1166617788 /nfs/dbraw/zinc/61/77/88/1166617788.db2.gz HZCFIWPIDQDQRP-UHFFFAOYSA-N -1 1 270.252 1.458 20 0 CDADMM Cc1ccc(Oc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC000095324476 1166620410 /nfs/dbraw/zinc/62/04/10/1166620410.db2.gz MFROFPSGXGAFPT-UHFFFAOYSA-N -1 1 255.241 1.152 20 0 CDADMM Cc1ccc(Oc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC000095324476 1166620414 /nfs/dbraw/zinc/62/04/14/1166620414.db2.gz MFROFPSGXGAFPT-UHFFFAOYSA-N -1 1 255.241 1.152 20 0 CDADMM Cc1c(C(=O)Nc2c[n-][nH]c2=O)cnn1-c1ccccn1 ZINC001638735774 1166868115 /nfs/dbraw/zinc/86/81/15/1166868115.db2.gz YNJKVNINBSTYQJ-UHFFFAOYSA-N -1 1 284.279 1.257 20 0 CDADMM Cc1c[nH]nc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001642154604 1167157808 /nfs/dbraw/zinc/15/78/08/1167157808.db2.gz IMLCFTOOZXNVDM-UHFFFAOYSA-N -1 1 253.208 1.954 20 0 CDADMM CCn1cccc(NC(=O)c2ccc3nc([O-])oc3c2)c1=O ZINC001642955405 1167214499 /nfs/dbraw/zinc/21/44/99/1167214499.db2.gz BAODMJDKLGAOIH-UHFFFAOYSA-N -1 1 299.286 1.967 20 0 CDADMM O=[P@@]([O-])(O)CCCCOC1CCC(O)CC1 ZINC001217901601 1167374701 /nfs/dbraw/zinc/37/47/01/1167374701.db2.gz SLORRPRRMLFAHB-UHFFFAOYSA-N -1 1 252.247 1.264 20 0 CDADMM Cn1cc(CN2CCC[C@@H](C(=O)[O-])C2)c(C(F)F)n1 ZINC001646090288 1167643962 /nfs/dbraw/zinc/64/39/62/1167643962.db2.gz VCYCFYNGMCDLSX-MRVPVSSYSA-N -1 1 273.283 1.654 20 0 CDADMM CC(C)C[C@H](C)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001609692004 1167946381 /nfs/dbraw/zinc/94/63/81/1167946381.db2.gz CXWCLOPTPLWWBH-QWHCGFSZSA-N -1 1 284.400 1.676 20 0 CDADMM O=C(c1c([O-])cccc1Cl)N1CC[C@]2(CCOC2=O)C1 ZINC001647620953 1168947351 /nfs/dbraw/zinc/94/73/51/1168947351.db2.gz FIQWDGCVLVCVTH-AWEZNQCLSA-N -1 1 295.722 1.825 20 0 CDADMM C[C@H](CC(=O)[O-])NC(=O)c1ccc(CN2CCCCC2)o1 ZINC001574004305 1170859368 /nfs/dbraw/zinc/85/93/68/1170859368.db2.gz VCMSXHMKKXVLFD-LLVKDONJSA-N -1 1 294.351 1.859 20 0 CDADMM Cc1nc(N(C)C)sc1C(=O)Nc1c[n-][nH]c1=O ZINC001654603347 1171623607 /nfs/dbraw/zinc/62/36/07/1171623607.db2.gz KDYYTJXMCXLZEB-UHFFFAOYSA-N -1 1 267.314 1.199 20 0 CDADMM CN(Cc1ccco1)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001579262009 1172128950 /nfs/dbraw/zinc/12/89/50/1172128950.db2.gz CGZWKJZZBYTADE-UHFFFAOYSA-N -1 1 289.320 1.793 20 0 CDADMM CO[C@H](C)CN(C(=O)c1coc(-c2nnn[n-]2)c1)C(C)C ZINC001579578991 1172216677 /nfs/dbraw/zinc/21/66/77/1172216677.db2.gz ODTVXGYTTJDMND-SECBINFHSA-N -1 1 293.327 1.345 20 0 CDADMM CO[C@H](C)CN(C(=O)c1coc(-c2nn[n-]n2)c1)C(C)C ZINC001579578991 1172216683 /nfs/dbraw/zinc/21/66/83/1172216683.db2.gz ODTVXGYTTJDMND-SECBINFHSA-N -1 1 293.327 1.345 20 0 CDADMM COc1ccccc1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001580078737 1172345354 /nfs/dbraw/zinc/34/53/54/1172345354.db2.gz KEYORPQEKXPROD-UHFFFAOYSA-N -1 1 296.290 1.523 20 0 CDADMM COc1ccccc1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001580078737 1172345360 /nfs/dbraw/zinc/34/53/60/1172345360.db2.gz KEYORPQEKXPROD-UHFFFAOYSA-N -1 1 296.290 1.523 20 0 CDADMM O=C(Nc1ccsc1)c1coc(-c2nnn[n-]2)c1 ZINC001582650283 1172686954 /nfs/dbraw/zinc/68/69/54/1172686954.db2.gz TWBZGFZQPDUOGK-UHFFFAOYSA-N -1 1 261.266 1.774 20 0 CDADMM O=C(Nc1ccsc1)c1coc(-c2nn[n-]n2)c1 ZINC001582650283 1172686960 /nfs/dbraw/zinc/68/69/60/1172686960.db2.gz TWBZGFZQPDUOGK-UHFFFAOYSA-N -1 1 261.266 1.774 20 0 CDADMM O=C(Nc1cccc2nccn21)c1coc(-c2nnn[n-]2)c1 ZINC001582647378 1172687527 /nfs/dbraw/zinc/68/75/27/1172687527.db2.gz STSHUBPQKXNOTL-UHFFFAOYSA-N -1 1 295.262 1.360 20 0 CDADMM O=C(Nc1cccc2nccn21)c1coc(-c2nn[n-]n2)c1 ZINC001582647378 1172687534 /nfs/dbraw/zinc/68/75/34/1172687534.db2.gz STSHUBPQKXNOTL-UHFFFAOYSA-N -1 1 295.262 1.360 20 0 CDADMM CC(C)(O)CCOC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001589333375 1173139041 /nfs/dbraw/zinc/13/90/41/1173139041.db2.gz VNGXLHMVQBZXFF-UHFFFAOYSA-N -1 1 282.325 1.246 20 0 CDADMM CC(C)(O)CCOC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589333375 1173139045 /nfs/dbraw/zinc/13/90/45/1173139045.db2.gz VNGXLHMVQBZXFF-UHFFFAOYSA-N -1 1 282.325 1.246 20 0 CDADMM CC(C)=CCNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589379151 1173141647 /nfs/dbraw/zinc/14/16/47/1173141647.db2.gz DWUUFMQFWVDKTK-UHFFFAOYSA-N -1 1 271.328 1.912 20 0 CDADMM CC(C)=CCNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589379151 1173141652 /nfs/dbraw/zinc/14/16/52/1173141652.db2.gz DWUUFMQFWVDKTK-UHFFFAOYSA-N -1 1 271.328 1.912 20 0 CDADMM CC(C)COc1cccc(Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC001589648166 1173166184 /nfs/dbraw/zinc/16/61/84/1173166184.db2.gz JOYJQGAIFZANGE-UHFFFAOYSA-N -1 1 299.338 1.541 20 0 CDADMM CC(C)[C@@H]1C[C@H]1Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589763415 1173175821 /nfs/dbraw/zinc/17/58/21/1173175821.db2.gz JZTQHAAMFWTCMG-VHSXEESVSA-N -1 1 285.355 1.991 20 0 CDADMM CC(C)[C@@H]1C[C@H]1Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589763415 1173175827 /nfs/dbraw/zinc/17/58/27/1173175827.db2.gz JZTQHAAMFWTCMG-VHSXEESVSA-N -1 1 285.355 1.991 20 0 CDADMM CC(C)n1ccc(CNc2cc(-c3nnn[n-]3)ncn2)n1 ZINC001589782696 1173179640 /nfs/dbraw/zinc/17/96/40/1173179640.db2.gz XCJBHAGYXNNXCH-UHFFFAOYSA-N -1 1 285.315 1.046 20 0 CDADMM CC(C)n1ccc(CNc2cc(-c3nn[n-]n3)ncn2)n1 ZINC001589782696 1173179644 /nfs/dbraw/zinc/17/96/44/1173179644.db2.gz XCJBHAGYXNNXCH-UHFFFAOYSA-N -1 1 285.315 1.046 20 0 CDADMM C[C@H](C[C@@H]1CCOC1)Nc1cccnc1-c1nnn[n-]1 ZINC001589802019 1173184386 /nfs/dbraw/zinc/18/43/86/1173184386.db2.gz GTNGVMGUCXFGGW-ZJUUUORDSA-N -1 1 274.328 1.489 20 0 CDADMM C[C@H](C[C@@H]1CCOC1)Nc1cccnc1-c1nn[n-]n1 ZINC001589802019 1173184396 /nfs/dbraw/zinc/18/43/96/1173184396.db2.gz GTNGVMGUCXFGGW-ZJUUUORDSA-N -1 1 274.328 1.489 20 0 CDADMM CC(C)n1cc([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001589991766 1173225424 /nfs/dbraw/zinc/22/54/24/1173225424.db2.gz RGGLUIHBNRPIBY-SECBINFHSA-N -1 1 299.342 1.607 20 0 CDADMM CC(C)n1cc([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001589991766 1173225430 /nfs/dbraw/zinc/22/54/30/1173225430.db2.gz RGGLUIHBNRPIBY-SECBINFHSA-N -1 1 299.342 1.607 20 0 CDADMM CC1(C)CC[C@H](CNc2nccnc2-c2nnn[n-]2)OC1 ZINC001590090391 1173253240 /nfs/dbraw/zinc/25/32/40/1173253240.db2.gz IDNHINMGZXMIPQ-SECBINFHSA-N -1 1 289.343 1.274 20 0 CDADMM CC1(C)CC[C@H](CNc2nccnc2-c2nn[n-]n2)OC1 ZINC001590090391 1173253245 /nfs/dbraw/zinc/25/32/45/1173253245.db2.gz IDNHINMGZXMIPQ-SECBINFHSA-N -1 1 289.343 1.274 20 0 CDADMM C[C@]1(c2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)CCCO1 ZINC001590153531 1173275880 /nfs/dbraw/zinc/27/58/80/1173275880.db2.gz VXJIQOZCECNYFY-CYBMUJFWSA-N -1 1 299.294 1.337 20 0 CDADMM C[C@]1(c2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)CCCO1 ZINC001590153531 1173275886 /nfs/dbraw/zinc/27/58/86/1173275886.db2.gz VXJIQOZCECNYFY-CYBMUJFWSA-N -1 1 299.294 1.337 20 0 CDADMM C[C@H]1CCCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590254090 1173321046 /nfs/dbraw/zinc/32/10/46/1173321046.db2.gz JQVQWFBUHZAGON-JTQLQIEISA-N -1 1 258.329 1.888 20 0 CDADMM C[C@H]1CCCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590254090 1173321053 /nfs/dbraw/zinc/32/10/53/1173321053.db2.gz JQVQWFBUHZAGON-JTQLQIEISA-N -1 1 258.329 1.888 20 0 CDADMM C[C@@H]1CN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001590294131 1173339177 /nfs/dbraw/zinc/33/91/77/1173339177.db2.gz KNUYNZZJYWDAFK-RKDXNWHRSA-N -1 1 287.327 1.381 20 0 CDADMM C[C@@H]1CN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001590294131 1173339184 /nfs/dbraw/zinc/33/91/84/1173339184.db2.gz KNUYNZZJYWDAFK-RKDXNWHRSA-N -1 1 287.327 1.381 20 0 CDADMM C[C@@H]1[C@@H](C)[C@H](C)CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590315707 1173350848 /nfs/dbraw/zinc/35/08/48/1173350848.db2.gz HXDFYMPBVONBHZ-HRDYMLBCSA-N -1 1 259.317 1.137 20 0 CDADMM C[C@@H]1[C@@H](C)[C@H](C)CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590315707 1173350855 /nfs/dbraw/zinc/35/08/55/1173350855.db2.gz HXDFYMPBVONBHZ-HRDYMLBCSA-N -1 1 259.317 1.137 20 0 CDADMM C[C@@H]1c2ccsc2CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001590339645 1173366268 /nfs/dbraw/zinc/36/62/68/1173366268.db2.gz XYULNYNEKBQNPX-MRVPVSSYSA-N -1 1 299.363 1.842 20 0 CDADMM C[C@@H]1c2ccsc2CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001590339645 1173366275 /nfs/dbraw/zinc/36/62/75/1173366275.db2.gz XYULNYNEKBQNPX-MRVPVSSYSA-N -1 1 299.363 1.842 20 0 CDADMM CC[C@H](NCc1nc(-c2nnn[n-]2)cs1)C(F)F ZINC001590469811 1173420762 /nfs/dbraw/zinc/42/07/62/1173420762.db2.gz RBERJFSPIKIUEM-YFKPBYRVSA-N -1 1 274.300 1.457 20 0 CDADMM CC[C@H](NCc1nc(-c2nn[n-]n2)cs1)C(F)F ZINC001590469811 1173420765 /nfs/dbraw/zinc/42/07/65/1173420765.db2.gz RBERJFSPIKIUEM-YFKPBYRVSA-N -1 1 274.300 1.457 20 0 CDADMM CC[C@@]1(C)CN(c2snc(C)c2-c2nn[n-]n2)CCO1 ZINC001590490248 1173431506 /nfs/dbraw/zinc/43/15/06/1173431506.db2.gz KJOMNBGMEHEEAB-LBPRGKRZSA-N -1 1 294.384 1.637 20 0 CDADMM CCC1(CC)CN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590492602 1173434577 /nfs/dbraw/zinc/43/45/77/1173434577.db2.gz GMZBDJHKSUWGDN-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CC[C@@H]1CCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001590517696 1173446879 /nfs/dbraw/zinc/44/68/79/1173446879.db2.gz PKTGAGBZKPUDDL-RXMQYKEDSA-N -1 1 270.749 1.965 20 0 CDADMM CC[C@@H]1CCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001590517696 1173446884 /nfs/dbraw/zinc/44/68/84/1173446884.db2.gz PKTGAGBZKPUDDL-RXMQYKEDSA-N -1 1 270.749 1.965 20 0 CDADMM CCN(C[C@H]1CCOC1)c1cc(C)nc(-c2nnn[n-]2)c1 ZINC001590691289 1173493581 /nfs/dbraw/zinc/49/35/81/1173493581.db2.gz UGIQQUZJZWTRDZ-LLVKDONJSA-N -1 1 288.355 1.433 20 0 CDADMM CCN(C[C@H]1CCOC1)c1cc(C)nc(-c2nn[n-]n2)c1 ZINC001590691289 1173493584 /nfs/dbraw/zinc/49/35/84/1173493584.db2.gz UGIQQUZJZWTRDZ-LLVKDONJSA-N -1 1 288.355 1.433 20 0 CDADMM CCN(CC1CC1)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590690122 1173493711 /nfs/dbraw/zinc/49/37/11/1173493711.db2.gz GYUPZFGLAGTVCC-UHFFFAOYSA-N -1 1 287.327 1.526 20 0 CDADMM CCN(CC1CC1)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590690122 1173493714 /nfs/dbraw/zinc/49/37/14/1173493714.db2.gz GYUPZFGLAGTVCC-UHFFFAOYSA-N -1 1 287.327 1.526 20 0 CDADMM CCOC(=O)[C@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001590753026 1173507570 /nfs/dbraw/zinc/50/75/70/1173507570.db2.gz XVVASGXZVVPPFI-ZCFIWIBFSA-N -1 1 296.356 1.243 20 0 CDADMM CCOC1CC(Sc2cccnc2-c2nnn[n-]2)C1 ZINC001590790501 1173509387 /nfs/dbraw/zinc/50/93/87/1173509387.db2.gz IHWJKONBUYNOLS-UHFFFAOYSA-N -1 1 277.353 1.921 20 0 CDADMM CCOC1CC(Sc2cccnc2-c2nn[n-]n2)C1 ZINC001590790501 1173509389 /nfs/dbraw/zinc/50/93/89/1173509389.db2.gz IHWJKONBUYNOLS-UHFFFAOYSA-N -1 1 277.353 1.921 20 0 CDADMM CCOCCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001590815904 1173520456 /nfs/dbraw/zinc/52/04/56/1173520456.db2.gz WWNBMJCWCZDWDA-UHFFFAOYSA-N -1 1 274.737 1.425 20 0 CDADMM CC[C@@H]1CC[C@@H](C)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590857972 1173529101 /nfs/dbraw/zinc/52/91/01/1173529101.db2.gz NSVVPUIJZIOQFC-NXEZZACHSA-N -1 1 273.344 1.672 20 0 CDADMM CCc1cc(NCc2nc(-c3nnn[n-]3)cs2)no1 ZINC001590883463 1173535783 /nfs/dbraw/zinc/53/57/83/1173535783.db2.gz CHIBEFQAEDXPLJ-UHFFFAOYSA-N -1 1 277.313 1.486 20 0 CDADMM CCc1cc(NCc2nc(-c3nn[n-]n3)cs2)no1 ZINC001590883463 1173535787 /nfs/dbraw/zinc/53/57/87/1173535787.db2.gz CHIBEFQAEDXPLJ-UHFFFAOYSA-N -1 1 277.313 1.486 20 0 CDADMM CCc1nc(Nc2ccc(NC)nc2)cc(-c2nn[n-]n2)n1 ZINC001590925827 1173543120 /nfs/dbraw/zinc/54/31/20/1173543120.db2.gz ZYZOZJOHLKUHAO-UHFFFAOYSA-N -1 1 297.326 1.399 20 0 CDADMM CCc1nc(NCc2ccco2)cc(-c2nn[n-]n2)n1 ZINC001590922698 1173544776 /nfs/dbraw/zinc/54/47/76/1173544776.db2.gz LCIOUGSMWKEQJK-UHFFFAOYSA-N -1 1 271.284 1.424 20 0 CDADMM CCc1nc(NCc2ccco2)cc(-c2nnn[n-]2)n1 ZINC001590922698 1173544772 /nfs/dbraw/zinc/54/47/72/1173544772.db2.gz LCIOUGSMWKEQJK-UHFFFAOYSA-N -1 1 271.284 1.424 20 0 CDADMM CN(Cc1nc(-c2nnn[n-]2)cs1)CC(F)(F)F ZINC001591151949 1173581293 /nfs/dbraw/zinc/58/12/93/1173581293.db2.gz LHMPVQDQLHJNRJ-UHFFFAOYSA-N -1 1 278.263 1.317 20 0 CDADMM CN(Cc1nc(-c2nn[n-]n2)cs1)CC(F)(F)F ZINC001591151949 1173581296 /nfs/dbraw/zinc/58/12/96/1173581296.db2.gz LHMPVQDQLHJNRJ-UHFFFAOYSA-N -1 1 278.263 1.317 20 0 CDADMM CNC(=O)CCSc1cccc(F)c1-c1nn[n-]n1 ZINC001591208444 1173590019 /nfs/dbraw/zinc/59/00/19/1173590019.db2.gz OBZCJOVNAUAKPV-UHFFFAOYSA-N -1 1 281.316 1.234 20 0 CDADMM CO[C@@H](CNc1ccnc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001591330138 1173614921 /nfs/dbraw/zinc/61/49/21/1173614921.db2.gz VYGSPZAUBZMUBO-NSHDSACASA-N -1 1 276.344 1.157 20 0 CDADMM CO[C@@H](CNc1ccnc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001591330138 1173614925 /nfs/dbraw/zinc/61/49/25/1173614925.db2.gz VYGSPZAUBZMUBO-NSHDSACASA-N -1 1 276.344 1.157 20 0 CDADMM COC1(C)CCN(c2ccc(C)c(-c3nnn[n-]3)n2)CC1 ZINC001591339951 1173618966 /nfs/dbraw/zinc/61/89/66/1173618966.db2.gz YGUPOPZTKYZIKR-UHFFFAOYSA-N -1 1 288.355 1.575 20 0 CDADMM COC1(C)CCN(c2ccc(C)c(-c3nn[n-]n3)n2)CC1 ZINC001591339951 1173618969 /nfs/dbraw/zinc/61/89/69/1173618969.db2.gz YGUPOPZTKYZIKR-UHFFFAOYSA-N -1 1 288.355 1.575 20 0 CDADMM CO[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001591353813 1173625055 /nfs/dbraw/zinc/62/50/55/1173625055.db2.gz HEXRZVOTYJETIN-VIFPVBQESA-N -1 1 291.311 1.101 20 0 CDADMM CO[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001591353813 1173625059 /nfs/dbraw/zinc/62/50/59/1173625059.db2.gz HEXRZVOTYJETIN-VIFPVBQESA-N -1 1 291.311 1.101 20 0 CDADMM CO[C@H]1C[C@@H](COC(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001591473026 1173657963 /nfs/dbraw/zinc/65/79/63/1173657963.db2.gz QOCCVPGTYOBNCM-OCAPTIKFSA-N -1 1 294.336 1.510 20 0 CDADMM CO[C@H]1C[C@@H](COC(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001591473026 1173657966 /nfs/dbraw/zinc/65/79/66/1173657966.db2.gz QOCCVPGTYOBNCM-OCAPTIKFSA-N -1 1 294.336 1.510 20 0 CDADMM COc1cc(NCc2csc(-c3nn[n-]n3)c2)nn1C ZINC001591547104 1173666088 /nfs/dbraw/zinc/66/60/88/1173666088.db2.gz BLYIMTUHWVEZGU-UHFFFAOYSA-N -1 1 291.340 1.282 20 0 CDADMM COc1cncc(C=CCCn2ccnc2-c2nnn[n-]2)c1 ZINC001591658997 1173678433 /nfs/dbraw/zinc/67/84/33/1173678433.db2.gz OVNOMBISUDCBFH-DUXPYHPUSA-N -1 1 297.322 1.570 20 0 CDADMM COc1cncc(C=CCCn2ccnc2-c2nn[n-]n2)c1 ZINC001591658997 1173678438 /nfs/dbraw/zinc/67/84/38/1173678438.db2.gz OVNOMBISUDCBFH-DUXPYHPUSA-N -1 1 297.322 1.570 20 0 CDADMM C[C@@H]1CC[C@@H](O)CN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001591735687 1173693697 /nfs/dbraw/zinc/69/36/97/1173693697.db2.gz UKSANLQRFOYANQ-HTQZYQBOSA-N -1 1 294.746 1.265 20 0 CDADMM C[C@@H]1CC[C@@H](O)CN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001591735687 1173693702 /nfs/dbraw/zinc/69/37/02/1173693702.db2.gz UKSANLQRFOYANQ-HTQZYQBOSA-N -1 1 294.746 1.265 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)Cc2ccoc2)n1 ZINC001591884475 1173738665 /nfs/dbraw/zinc/73/86/65/1173738665.db2.gz GTSLLKZJKHASFR-UHFFFAOYSA-N -1 1 271.284 1.195 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)Cc2ccoc2)n1 ZINC001591884475 1173738672 /nfs/dbraw/zinc/73/86/72/1173738672.db2.gz GTSLLKZJKHASFR-UHFFFAOYSA-N -1 1 271.284 1.195 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)C(C)(C)C)n1 ZINC001591902277 1173744855 /nfs/dbraw/zinc/74/48/55/1173744855.db2.gz ORNKJWFTQOMCAY-MRVPVSSYSA-N -1 1 261.333 1.812 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)C(C)(C)C)n1 ZINC001591902277 1173744862 /nfs/dbraw/zinc/74/48/62/1173744862.db2.gz ORNKJWFTQOMCAY-MRVPVSSYSA-N -1 1 261.333 1.812 20 0 CDADMM Cc1cc(N(C)C(=O)c2ccc(-c3nn[n-]n3)o2)ccc1O ZINC001591995617 1173767358 /nfs/dbraw/zinc/76/73/58/1173767358.db2.gz JFHUEHKHMPKBNN-UHFFFAOYSA-N -1 1 299.290 1.750 20 0 CDADMM Cc1cc(N2CCC(C)(CO)CC2)cc(-c2nnn[n-]2)n1 ZINC001591998993 1173769225 /nfs/dbraw/zinc/76/92/25/1173769225.db2.gz ACIJMVCLTZRQJB-UHFFFAOYSA-N -1 1 288.355 1.169 20 0 CDADMM Cc1cc(N2CCC(C)(CO)CC2)cc(-c2nn[n-]n2)n1 ZINC001591998993 1173769230 /nfs/dbraw/zinc/76/92/30/1173769230.db2.gz ACIJMVCLTZRQJB-UHFFFAOYSA-N -1 1 288.355 1.169 20 0 CDADMM Cc1cc(N(C)[C@H]2CC[C@H](O)CC2)cc(-c2nnn[n-]2)n1 ZINC001591999780 1173769916 /nfs/dbraw/zinc/76/99/16/1173769916.db2.gz WMZCCCKSKQQGQL-UMSPYCQHSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1cc(N(C)[C@H]2CC[C@H](O)CC2)cc(-c2nn[n-]n2)n1 ZINC001591999780 1173769920 /nfs/dbraw/zinc/76/99/20/1173769920.db2.gz WMZCCCKSKQQGQL-UMSPYCQHSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1cc(NCCCC2(O)CCC2)nc(-c2nnn[n-]2)c1 ZINC001592047378 1173787153 /nfs/dbraw/zinc/78/71/53/1173787153.db2.gz LNSYSEZTBIZHJR-UHFFFAOYSA-N -1 1 288.355 1.677 20 0 CDADMM Cc1cc(NCCCC2(O)CCC2)nc(-c2nn[n-]n2)c1 ZINC001592047378 1173787159 /nfs/dbraw/zinc/78/71/59/1173787159.db2.gz LNSYSEZTBIZHJR-UHFFFAOYSA-N -1 1 288.355 1.677 20 0 CDADMM Cc1ccc(CCCOc2cnc(-c3nn[n-]n3)nc2)cc1 ZINC001592150177 1173811543 /nfs/dbraw/zinc/81/15/43/1173811543.db2.gz RHJVAVRWUIQIFF-UHFFFAOYSA-N -1 1 296.334 1.977 20 0 CDADMM Cc1ccc(CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)o1 ZINC001592157575 1173814002 /nfs/dbraw/zinc/81/40/02/1173814002.db2.gz FIPFMRKEBDULPT-UHFFFAOYSA-N -1 1 298.306 1.022 20 0 CDADMM Cc1ccc(CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)o1 ZINC001592157575 1173814009 /nfs/dbraw/zinc/81/40/09/1173814009.db2.gz FIPFMRKEBDULPT-UHFFFAOYSA-N -1 1 298.306 1.022 20 0 CDADMM Cc1ccc(Cn2cc(-c3nn[n-]n3)ccc2=O)c(C)c1 ZINC001592171785 1173820691 /nfs/dbraw/zinc/82/06/91/1173820691.db2.gz OOGKXRRQCPIQSB-UHFFFAOYSA-N -1 1 281.319 1.694 20 0 CDADMM Cc1ccc(F)c(CCNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001592173789 1173822494 /nfs/dbraw/zinc/82/24/94/1173822494.db2.gz ORZUQUHPMAAMET-UHFFFAOYSA-N -1 1 299.313 1.181 20 0 CDADMM Cc1ccc(N2CC[C@H](C)[C@H]2C)c(-c2nnn[n-]2)n1 ZINC001592176275 1173823098 /nfs/dbraw/zinc/82/30/98/1173823098.db2.gz YQBXABNMDIUIPI-WCBMZHEXSA-N -1 1 258.329 1.805 20 0 CDADMM Cc1ccc(N2CC[C@H](C)[C@H]2C)c(-c2nn[n-]n2)n1 ZINC001592176275 1173823102 /nfs/dbraw/zinc/82/31/02/1173823102.db2.gz YQBXABNMDIUIPI-WCBMZHEXSA-N -1 1 258.329 1.805 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@@H](C)O[C@@H]2C)nc1-c1nnn[n-]1 ZINC001592183275 1173827974 /nfs/dbraw/zinc/82/79/74/1173827974.db2.gz CFFPXNDVVZNYCZ-OPRDCNLKSA-N -1 1 274.328 1.548 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@@H](C)O[C@@H]2C)nc1-c1nn[n-]n1 ZINC001592183275 1173827976 /nfs/dbraw/zinc/82/79/76/1173827976.db2.gz CFFPXNDVVZNYCZ-OPRDCNLKSA-N -1 1 274.328 1.548 20 0 CDADMM Cc1ccc(OCCNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001592188228 1173830977 /nfs/dbraw/zinc/83/09/77/1173830977.db2.gz NLCLKBTZOFXZBG-UHFFFAOYSA-N -1 1 297.322 1.456 20 0 CDADMM Cc1ccc(OCCNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001592188228 1173830983 /nfs/dbraw/zinc/83/09/83/1173830983.db2.gz NLCLKBTZOFXZBG-UHFFFAOYSA-N -1 1 297.322 1.456 20 0 CDADMM Cc1cnc(CCNc2nc(-c3nn[n-]n3)ccc2C)cn1 ZINC001592292552 1173849524 /nfs/dbraw/zinc/84/95/24/1173849524.db2.gz JOWSASAZPGJJMS-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1cnc([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)o2)o1 ZINC001592292370 1173849978 /nfs/dbraw/zinc/84/99/78/1173849978.db2.gz GIAJFKZHFHKHIZ-SSDOTTSWSA-N -1 1 289.251 1.674 20 0 CDADMM Cc1[nH]nc(NC(=O)CSC(C)(C)C)c1-c1nn[n-]n1 ZINC001592328368 1173854249 /nfs/dbraw/zinc/85/42/49/1173854249.db2.gz QYXDTAIRLQTPIH-UHFFFAOYSA-N -1 1 295.372 1.368 20 0 CDADMM Cc1nc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])co1 ZINC001592350274 1173865913 /nfs/dbraw/zinc/86/59/13/1173865913.db2.gz BADIGFKQQITFRI-UHFFFAOYSA-N -1 1 286.251 1.121 20 0 CDADMM Cc1nc(NCC2(C3CC3)CCC2)cc(-c2nnn[n-]2)n1 ZINC001592386109 1173877543 /nfs/dbraw/zinc/87/75/43/1173877543.db2.gz MVVVCPQLACMQOT-UHFFFAOYSA-N -1 1 285.355 1.957 20 0 CDADMM Cc1nc(NCC2(C3CC3)CCC2)cc(-c2nn[n-]n2)n1 ZINC001592386109 1173877553 /nfs/dbraw/zinc/87/75/53/1173877553.db2.gz MVVVCPQLACMQOT-UHFFFAOYSA-N -1 1 285.355 1.957 20 0 CDADMM Cc1nocc1CNc1cccc(-c2nnn[n-]2)n1 ZINC001592466448 1173897549 /nfs/dbraw/zinc/89/75/49/1173897549.db2.gz WBYJJFHMZRHNFQ-UHFFFAOYSA-N -1 1 257.257 1.170 20 0 CDADMM Cc1nocc1CNc1cccc(-c2nn[n-]n2)n1 ZINC001592466448 1173897554 /nfs/dbraw/zinc/89/75/54/1173897554.db2.gz WBYJJFHMZRHNFQ-UHFFFAOYSA-N -1 1 257.257 1.170 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCc1ccoc1 ZINC001592504203 1173907221 /nfs/dbraw/zinc/90/72/21/1173907221.db2.gz YPVMXBLXRZXMHV-UHFFFAOYSA-N -1 1 288.263 1.761 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCc1ccoc1 ZINC001592504203 1173907225 /nfs/dbraw/zinc/90/72/25/1173907225.db2.gz YPVMXBLXRZXMHV-UHFFFAOYSA-N -1 1 288.263 1.761 20 0 CDADMM Cn1ccc2ccc(Nc3cc(-c4nnn[n-]4)ncn3)cc21 ZINC001592581584 1173921475 /nfs/dbraw/zinc/92/14/75/1173921475.db2.gz HSLJSSNWSSQLRQ-UHFFFAOYSA-N -1 1 292.306 1.892 20 0 CDADMM Cn1ccc2ccc(Nc3cc(-c4nn[n-]n4)ncn3)cc21 ZINC001592581584 1173921479 /nfs/dbraw/zinc/92/14/79/1173921479.db2.gz HSLJSSNWSSQLRQ-UHFFFAOYSA-N -1 1 292.306 1.892 20 0 CDADMM FC(F)C1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001592624886 1173932072 /nfs/dbraw/zinc/93/20/72/1173932072.db2.gz ONDSPUUIJCOMII-UHFFFAOYSA-N -1 1 295.297 1.893 20 0 CDADMM FC(F)C1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001592624886 1173932076 /nfs/dbraw/zinc/93/20/76/1173932076.db2.gz ONDSPUUIJCOMII-UHFFFAOYSA-N -1 1 295.297 1.893 20 0 CDADMM FC(F)[C@@H]1CCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001592625274 1173933771 /nfs/dbraw/zinc/93/37/71/1173933771.db2.gz QVFBNEOESNPSIU-LURJTMIESA-N -1 1 286.673 1.759 20 0 CDADMM FC(F)[C@@H]1CCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001592625274 1173933775 /nfs/dbraw/zinc/93/37/75/1173933775.db2.gz QVFBNEOESNPSIU-LURJTMIESA-N -1 1 286.673 1.759 20 0 CDADMM FC1(F)CC(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001592628086 1173934759 /nfs/dbraw/zinc/93/47/59/1173934759.db2.gz QIDDLTWBDBOIKU-UHFFFAOYSA-N -1 1 267.243 1.114 20 0 CDADMM FC1(F)CC(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001592628086 1173934761 /nfs/dbraw/zinc/93/47/61/1173934761.db2.gz QIDDLTWBDBOIKU-UHFFFAOYSA-N -1 1 267.243 1.114 20 0 CDADMM FC1(F)C[C@@H]1CCNc1ccnc(-c2nnn[n-]2)c1 ZINC001592629501 1173937907 /nfs/dbraw/zinc/93/79/07/1173937907.db2.gz HLOWBJUBIGHMDM-ZETCQYMHSA-N -1 1 266.255 1.719 20 0 CDADMM FC1(F)C[C@@H]1CCNc1ccnc(-c2nn[n-]n2)c1 ZINC001592629501 1173937910 /nfs/dbraw/zinc/93/79/10/1173937910.db2.gz HLOWBJUBIGHMDM-ZETCQYMHSA-N -1 1 266.255 1.719 20 0 CDADMM Fc1ccc(Oc2cc(-c3nnn[n-]3)ncn2)c(F)c1 ZINC001592652345 1173952294 /nfs/dbraw/zinc/95/22/94/1173952294.db2.gz GEPKOJRBKUHZKF-UHFFFAOYSA-N -1 1 276.206 1.727 20 0 CDADMM Fc1ccc(Oc2cc(-c3nn[n-]n3)ncn2)c(F)c1 ZINC001592652345 1173952297 /nfs/dbraw/zinc/95/22/97/1173952297.db2.gz GEPKOJRBKUHZKF-UHFFFAOYSA-N -1 1 276.206 1.727 20 0 CDADMM Fc1ccc([C@@H]2C[C@H]2Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001592653312 1173954789 /nfs/dbraw/zinc/95/47/89/1173954789.db2.gz VIGSHTYSFGVLBX-WDEREUQCSA-N -1 1 297.297 1.764 20 0 CDADMM Fc1ccc([C@@H]2C[C@H]2Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001592653312 1173954795 /nfs/dbraw/zinc/95/47/95/1173954795.db2.gz VIGSHTYSFGVLBX-WDEREUQCSA-N -1 1 297.297 1.764 20 0 CDADMM Fc1cccc(F)c1CCCn1ccnc1-c1nnn[n-]1 ZINC001592656602 1173954835 /nfs/dbraw/zinc/95/48/35/1173954835.db2.gz FKXQOJICLOACAI-UHFFFAOYSA-N -1 1 290.277 1.974 20 0 CDADMM Fc1cccc(F)c1CCCn1ccnc1-c1nn[n-]n1 ZINC001592656602 1173954839 /nfs/dbraw/zinc/95/48/39/1173954839.db2.gz FKXQOJICLOACAI-UHFFFAOYSA-N -1 1 290.277 1.974 20 0 CDADMM Fc1cccc(NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001592658440 1173956781 /nfs/dbraw/zinc/95/67/81/1173956781.db2.gz PIZPOQZUJZPOAN-UHFFFAOYSA-N -1 1 277.288 1.469 20 0 CDADMM Fc1cccc(NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001592658440 1173956786 /nfs/dbraw/zinc/95/67/86/1173956786.db2.gz PIZPOQZUJZPOAN-UHFFFAOYSA-N -1 1 277.288 1.469 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1C[C@H]1C1CCCC1 ZINC001592754629 1173985733 /nfs/dbraw/zinc/98/57/33/1173985733.db2.gz PVJLQRIRVNVWGF-IUCAKERBSA-N -1 1 287.327 1.112 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCc1ccccc1 ZINC001592914828 1174003764 /nfs/dbraw/zinc/00/37/64/1174003764.db2.gz LMPKIPXNIBRXCQ-UHFFFAOYSA-N -1 1 295.302 1.548 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCc1ccccc1 ZINC001592914828 1174003772 /nfs/dbraw/zinc/00/37/72/1174003772.db2.gz LMPKIPXNIBRXCQ-UHFFFAOYSA-N -1 1 295.302 1.548 20 0 CDADMM O=C(N[C@@H]1CC2CCC1CC2)c1cccc(-c2nnn[n-]2)n1 ZINC001592971177 1174008194 /nfs/dbraw/zinc/00/81/94/1174008194.db2.gz LCRDUEVBPXTGBG-SRHKJQAYSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(N[C@@H]1CC2CCC1CC2)c1cccc(-c2nn[n-]n2)n1 ZINC001592971177 1174008196 /nfs/dbraw/zinc/00/81/96/1174008196.db2.gz LCRDUEVBPXTGBG-SRHKJQAYSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(N[C@H]1CC2CCC1CC2)c1cccc(-c2nnn[n-]2)n1 ZINC001592971178 1174010244 /nfs/dbraw/zinc/01/02/44/1174010244.db2.gz LCRDUEVBPXTGBG-ZPPKWKGLSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(N[C@H]1CC2CCC1CC2)c1cccc(-c2nn[n-]n2)n1 ZINC001592971178 1174010249 /nfs/dbraw/zinc/01/02/49/1174010249.db2.gz LCRDUEVBPXTGBG-ZPPKWKGLSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@H]1CC=CCC1 ZINC001593133914 1174022795 /nfs/dbraw/zinc/02/27/95/1174022795.db2.gz UNUJBDGHCNXCCE-VIFPVBQESA-N -1 1 289.364 1.901 20 0 CDADMM O=C(NOCC1CC1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001593169438 1174028765 /nfs/dbraw/zinc/02/87/65/1174028765.db2.gz RRGAZSBGCLWBBU-UHFFFAOYSA-N -1 1 295.249 1.216 20 0 CDADMM O=C(NOCC1CC1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001593169438 1174028768 /nfs/dbraw/zinc/02/87/68/1174028768.db2.gz RRGAZSBGCLWBBU-UHFFFAOYSA-N -1 1 295.249 1.216 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1C[C@H]1C1CCC1 ZINC001593256386 1174043466 /nfs/dbraw/zinc/04/34/66/1174043466.db2.gz RFVPVILRTUHQCG-WDEREUQCSA-N -1 1 299.338 1.572 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1C[C@H]1C1CCC1 ZINC001593256386 1174043472 /nfs/dbraw/zinc/04/34/72/1174043472.db2.gz RFVPVILRTUHQCG-WDEREUQCSA-N -1 1 299.338 1.572 20 0 CDADMM O=C([O-])C[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001593275422 1174044974 /nfs/dbraw/zinc/04/49/74/1174044974.db2.gz BOJHJKYEFBRIRP-VIFPVBQESA-N -1 1 291.311 1.146 20 0 CDADMM O=C([O-])C[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001593275422 1174044996 /nfs/dbraw/zinc/04/49/96/1174044996.db2.gz BOJHJKYEFBRIRP-VIFPVBQESA-N -1 1 291.311 1.146 20 0 CDADMM O=C([O-])C[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001593275422 1174045001 /nfs/dbraw/zinc/04/50/01/1174045001.db2.gz BOJHJKYEFBRIRP-VIFPVBQESA-N -1 1 291.311 1.146 20 0 CDADMM O=C(OCC1CC=CC1)c1ccc(-c2nn[n-]n2)o1 ZINC001593283626 1174048969 /nfs/dbraw/zinc/04/89/69/1174048969.db2.gz ARVBVGPYRNHLSA-UHFFFAOYSA-N -1 1 260.253 1.583 20 0 CDADMM O=C(OC[C@@H]1C[C@H]1C1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593291650 1174056709 /nfs/dbraw/zinc/05/67/09/1174056709.db2.gz ZOYUENZNCVINRT-QWRGUYRKSA-N -1 1 285.307 1.465 20 0 CDADMM O=C(OC[C@@H]1C[C@H]1C1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593291650 1174056714 /nfs/dbraw/zinc/05/67/14/1174056714.db2.gz ZOYUENZNCVINRT-QWRGUYRKSA-N -1 1 285.307 1.465 20 0 CDADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC2CCC1CC2 ZINC001593370747 1174071302 /nfs/dbraw/zinc/07/13/02/1174071302.db2.gz HHDZPBLWHGGTCV-UHFFFAOYSA-N -1 1 289.364 1.943 20 0 CDADMM O=c1cc(CC2CC2)[n-]n1-c1cccc(-c2nn[nH]n2)c1 ZINC001593385852 1174072860 /nfs/dbraw/zinc/07/28/60/1174072860.db2.gz PLOOJBBPAOMEPH-UHFFFAOYSA-N -1 1 282.307 1.760 20 0 CDADMM O=c1c(-c2nn[n-]n2)cc2c(n1[C@@H]1C=CCCC1)CCC2 ZINC001593490365 1174086184 /nfs/dbraw/zinc/08/61/84/1174086184.db2.gz GLJMXGUDPQYQCL-LLVKDONJSA-N -1 1 283.335 1.798 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1C[C@H]1CCC2(CCC2)O1 ZINC001593492076 1174087421 /nfs/dbraw/zinc/08/74/21/1174087421.db2.gz AQLXYFDCUJFKQG-SNVBAGLBSA-N -1 1 287.323 1.130 20 0 CDADMM c1c(-c2nnn[n-]2)nc(C2CC2)nc1N1CCC[C@H]2C[C@H]21 ZINC001593544075 1174114660 /nfs/dbraw/zinc/11/46/60/1174114660.db2.gz RLVNPOXKKZMCIG-GXSJLCMTSA-N -1 1 283.339 1.523 20 0 CDADMM c1c(-c2nn[n-]n2)nc(C2CC2)nc1N1CCC[C@H]2C[C@H]21 ZINC001593544075 1174114664 /nfs/dbraw/zinc/11/46/64/1174114664.db2.gz RLVNPOXKKZMCIG-GXSJLCMTSA-N -1 1 283.339 1.523 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2C[C@@H](C3CC3)[C@@H]2C2CC2)c1 ZINC001593550335 1174121274 /nfs/dbraw/zinc/12/12/74/1174121274.db2.gz RONDVISNHBQNBI-FZMZJTMJSA-N -1 1 282.351 1.887 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2C[C@@H](C3CC3)[C@@H]2C2CC2)c1 ZINC001593550335 1174121278 /nfs/dbraw/zinc/12/12/78/1174121278.db2.gz RONDVISNHBQNBI-FZMZJTMJSA-N -1 1 282.351 1.887 20 0 CDADMM c1nc(C2CC2)oc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001593552080 1174127450 /nfs/dbraw/zinc/12/74/50/1174127450.db2.gz UHAIMGDQULYPQW-UHFFFAOYSA-N -1 1 254.253 1.794 20 0 CDADMM c1nc(C2CC2)oc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001593552080 1174127453 /nfs/dbraw/zinc/12/74/53/1174127453.db2.gz UHAIMGDQULYPQW-UHFFFAOYSA-N -1 1 254.253 1.794 20 0 CDADMM c1cc(N2C[C@H](C3CC3)[C@@H]2C2CC2)nc(-c2nn[n-]n2)n1 ZINC001593556972 1174131780 /nfs/dbraw/zinc/13/17/80/1174131780.db2.gz ADJGZDKUFWPJNF-PWSUYJOCSA-N -1 1 283.339 1.282 20 0 CDADMM c1cc(NC[C@]23C[C@H]2CCC3)cc(-c2nnn[n-]2)n1 ZINC001593560584 1174136117 /nfs/dbraw/zinc/13/61/17/1174136117.db2.gz HBVBJZJDDKBIHK-RNCFNFMXSA-N -1 1 256.313 1.286 20 0 CDADMM c1cc(NC[C@]23C[C@H]2CCC3)cc(-c2nn[n-]n2)n1 ZINC001593560584 1174136119 /nfs/dbraw/zinc/13/61/19/1174136119.db2.gz HBVBJZJDDKBIHK-RNCFNFMXSA-N -1 1 256.313 1.286 20 0 CDADMM c1cc(NCCOCC2CCC2)cc(-c2nnn[n-]2)n1 ZINC001593560591 1174136325 /nfs/dbraw/zinc/13/63/25/1174136325.db2.gz HMEBXZKXUJARKD-UHFFFAOYSA-N -1 1 274.328 1.490 20 0 CDADMM c1cc(NCCOCC2CCC2)cc(-c2nn[n-]n2)n1 ZINC001593560591 1174136330 /nfs/dbraw/zinc/13/63/30/1174136330.db2.gz HMEBXZKXUJARKD-UHFFFAOYSA-N -1 1 274.328 1.490 20 0 CDADMM c1ccc([C@@H]2CCN2c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001593573987 1174144732 /nfs/dbraw/zinc/14/47/32/1174144732.db2.gz UXYJDPIFSDFXJG-NSHDSACASA-N -1 1 279.307 1.608 20 0 CDADMM c1ccc([C@H]2CCN2c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001593573985 1174146386 /nfs/dbraw/zinc/14/63/86/1174146386.db2.gz UXYJDPIFSDFXJG-LLVKDONJSA-N -1 1 279.307 1.608 20 0 CDADMM c1ccc2c(c1)CN(c1cc(-c3nnn[n-]3)ncn1)C2 ZINC001593580176 1174147633 /nfs/dbraw/zinc/14/76/33/1174147633.db2.gz LCLVDBGDNURWBU-UHFFFAOYSA-N -1 1 265.280 1.177 20 0 CDADMM c1ccc2c(c1)CN(c1cc(-c3nn[n-]n3)ncn1)C2 ZINC001593580176 1174147635 /nfs/dbraw/zinc/14/76/35/1174147635.db2.gz LCLVDBGDNURWBU-UHFFFAOYSA-N -1 1 265.280 1.177 20 0 CDADMM c1ccc2c(c1)CC[C@H](Nc1ccnc(-c3nn[n-]n3)n1)C2 ZINC001593581888 1174147717 /nfs/dbraw/zinc/14/77/17/1174147717.db2.gz YFGSTRLBFOJESG-LBPRGKRZSA-N -1 1 293.334 1.048 20 0 CDADMM c1cn(C[C@H]2CCCC3(CCC3)O2)c(-c2nnn[n-]2)n1 ZINC001593582022 1174148092 /nfs/dbraw/zinc/14/80/92/1174148092.db2.gz BSYJHPMCSWCTML-SNVBAGLBSA-N -1 1 274.328 1.555 20 0 CDADMM c1cn(C[C@H]2CCCC3(CCC3)O2)c(-c2nn[n-]n2)n1 ZINC001593582022 1174148096 /nfs/dbraw/zinc/14/80/96/1174148096.db2.gz BSYJHPMCSWCTML-SNVBAGLBSA-N -1 1 274.328 1.555 20 0 CDADMM c1nc(-c2nn[n-]n2)nn1CC[C@H]1CCc2ccccc21 ZINC001593581114 1174148721 /nfs/dbraw/zinc/14/87/21/1174148721.db2.gz LQWIMLUYQYFRMM-LLVKDONJSA-N -1 1 281.323 1.578 20 0 CDADMM c1coc([C@@H]2C[C@H]2Nc2cncc(-c3nnn[n-]3)n2)c1 ZINC001593588482 1174155370 /nfs/dbraw/zinc/15/53/70/1174155370.db2.gz ACLOMRAFFVAZJK-HTQZYQBOSA-N -1 1 269.268 1.218 20 0 CDADMM c1coc([C@@H]2C[C@H]2Nc2cncc(-c3nn[n-]n3)n2)c1 ZINC001593588482 1174155376 /nfs/dbraw/zinc/15/53/76/1174155376.db2.gz ACLOMRAFFVAZJK-HTQZYQBOSA-N -1 1 269.268 1.218 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC001593590302 1174157320 /nfs/dbraw/zinc/15/73/20/1174157320.db2.gz NONJZMMLWRLESN-HRDYMLBCSA-N -1 1 257.301 1.257 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC001593590302 1174157323 /nfs/dbraw/zinc/15/73/23/1174157323.db2.gz NONJZMMLWRLESN-HRDYMLBCSA-N -1 1 257.301 1.257 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NC[C@]23C[C@H]2CCCC3)n1 ZINC001593595828 1174164486 /nfs/dbraw/zinc/16/44/86/1174164486.db2.gz YSMKDRYRZQQVSG-RNCFNFMXSA-N -1 1 271.328 1.649 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NC[C@@H]2C[C@H]2C2CC2)n1 ZINC001593595513 1174165522 /nfs/dbraw/zinc/16/55/22/1174165522.db2.gz SFCNUOYIMJWDPX-IUCAKERBSA-N -1 1 257.301 1.115 20 0 CDADMM C[C@@H](O)CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001593771005 1174171780 /nfs/dbraw/zinc/17/17/80/1174171780.db2.gz RSDRLJBZPKGAFE-MRVPVSSYSA-N -1 1 261.277 1.362 20 0 CDADMM O=c1[n-]c(CN2C[C@H]3CCCC[C@@]32c2ccccc2)n[nH]1 ZINC000091594741 1174302596 /nfs/dbraw/zinc/30/25/96/1174302596.db2.gz IKHZVTCTNAVGQN-CZUORRHYSA-N -1 1 284.363 1.999 20 0 CDADMM Cc1[nH]c(CN(C)C[C@H]2CCCO2)cc1C(=O)[O-] ZINC001599962496 1174330197 /nfs/dbraw/zinc/33/01/97/1174330197.db2.gz RFUUWDGFVHQRKI-LLVKDONJSA-N -1 1 252.314 1.632 20 0 CDADMM Cc1cc(C[C@@H](C)NC(=O)c2ccsc2C(=O)[O-])n[nH]1 ZINC001600189683 1174393538 /nfs/dbraw/zinc/39/35/38/1174393538.db2.gz SVFYJATYACASSZ-SSDOTTSWSA-N -1 1 293.348 1.839 20 0 CDADMM Cc1cc(COCCc2c[nH]nn2)oc1C(=O)[O-] ZINC001600215602 1174414487 /nfs/dbraw/zinc/41/44/87/1174414487.db2.gz YYUJYINZGPAULU-UHFFFAOYSA-N -1 1 251.242 1.164 20 0 CDADMM Cc1ccc(NC[C@@H]2[C@H](C(=O)[O-])C2(F)F)c(N(C)C)n1 ZINC001600460004 1174482598 /nfs/dbraw/zinc/48/25/98/1174482598.db2.gz XXTYPIBYXYAGOE-PSASIEDQSA-N -1 1 285.294 1.834 20 0 CDADMM C[C@@H](N(C)c1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC000095195269 1174509511 /nfs/dbraw/zinc/50/95/11/1174509511.db2.gz QJZUWIDLQUTNCI-MRVPVSSYSA-N -1 1 261.333 1.528 20 0 CDADMM C[C@@H](N(C)c1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC000095195269 1174509515 /nfs/dbraw/zinc/50/95/15/1174509515.db2.gz QJZUWIDLQUTNCI-MRVPVSSYSA-N -1 1 261.333 1.528 20 0 CDADMM Cc1cncc([C@H](C)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC001600625788 1174538719 /nfs/dbraw/zinc/53/87/19/1174538719.db2.gz PAAUNPSHQSVNFN-DCAQKATOSA-N -1 1 279.340 1.018 20 0 CDADMM Cc1ncc(CCNCc2ncc(C(=O)[O-])s2)s1 ZINC001600737264 1174584670 /nfs/dbraw/zinc/58/46/70/1174584670.db2.gz QMMYJGVXDANBSH-UHFFFAOYSA-N -1 1 283.378 1.939 20 0 CDADMM Cn1c(CNC2(CC(=O)[O-])CCC2)nnc1C1CCC1 ZINC001600916312 1174663509 /nfs/dbraw/zinc/66/35/09/1174663509.db2.gz HUHGPQVZDLAZBU-UHFFFAOYSA-N -1 1 278.356 1.570 20 0 CDADMM Cn1cc(CN2CC[C@@](C(=O)[O-])(c3ccccc3)C2)nn1 ZINC001600951259 1174674166 /nfs/dbraw/zinc/67/41/66/1174674166.db2.gz CLGOFOMZIYJGBL-HNNXBMFYSA-N -1 1 286.335 1.043 20 0 CDADMM C[C@@H]1C[C@H](C)CN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC000103593531 1174681347 /nfs/dbraw/zinc/68/13/47/1174681347.db2.gz DOXMMAGQNORGMK-AOOOYVTPSA-N -1 1 258.329 1.744 20 0 CDADMM C[C@@H]1C[C@H](C)CN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC000103593531 1174681350 /nfs/dbraw/zinc/68/13/50/1174681350.db2.gz DOXMMAGQNORGMK-AOOOYVTPSA-N -1 1 258.329 1.744 20 0 CDADMM Cn1nccc1CN[C@@H](C(=O)[O-])c1cccc(O)c1 ZINC001601039426 1174712809 /nfs/dbraw/zinc/71/28/09/1174712809.db2.gz KNEYIPVKEIBURJ-GFCCVEGCSA-N -1 1 261.281 1.041 20 0 CDADMM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1[C@H](C(=O)[O-])c1ccccc1 ZINC001601141348 1174761145 /nfs/dbraw/zinc/76/11/45/1174761145.db2.gz LEUIODDBCUQRAA-CRWXNKLISA-N -1 1 288.347 1.398 20 0 CDADMM NC(=O)[C@@H]1Cc2ccccc2CN1CC1(CC(=O)[O-])CC1 ZINC001601159198 1174766249 /nfs/dbraw/zinc/76/62/49/1174766249.db2.gz FVCHVVSYRCRBFX-ZDUSSCGKSA-N -1 1 288.347 1.154 20 0 CDADMM NC(=O)c1cccc(CNCc2ccoc2C(=O)[O-])c1 ZINC001601167776 1174767449 /nfs/dbraw/zinc/76/74/49/1174767449.db2.gz GUECDIKXOWUXGS-UHFFFAOYSA-N -1 1 274.276 1.367 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](NC(=O)c2cccc(F)c2O)[C@H]2C[C@H]21 ZINC001601573573 1174904394 /nfs/dbraw/zinc/90/43/94/1174904394.db2.gz UHJXSEKPPDMNNQ-LOKLDPHHSA-N -1 1 279.267 1.370 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2ccccc2-c2nnc[nH]2)no1 ZINC001601622199 1174914214 /nfs/dbraw/zinc/91/42/14/1174914214.db2.gz JXEYBUMKNWHXKS-UHFFFAOYSA-N -1 1 299.246 1.410 20 0 CDADMM O=C([O-])[C@@H]1[C@@H](CN2CCn3cccc3C2)C1(F)F ZINC001601747334 1174981247 /nfs/dbraw/zinc/98/12/47/1174981247.db2.gz CRWIHODYFJLWRP-ZJUUUORDSA-N -1 1 256.252 1.270 20 0 CDADMM O=C([O-])[C@@H]1CC12CCN(C(=O)CCc1cnc[nH]1)CC2 ZINC001601771763 1174999311 /nfs/dbraw/zinc/99/93/11/1174999311.db2.gz MGPMBCGVZCVNKD-NSHDSACASA-N -1 1 277.324 1.056 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](C(=O)Nc2ccccc2-c2nnc[nH]2)C1 ZINC001602217305 1175171362 /nfs/dbraw/zinc/17/13/62/1175171362.db2.gz VEXZIZQXYDPSGV-DTORHVGOSA-N -1 1 286.291 1.521 20 0 CDADMM O=C([O-])c1ccc(N[C@H]2CCCc3cn[nH]c32)nn1 ZINC001602381903 1175229631 /nfs/dbraw/zinc/22/96/31/1175229631.db2.gz PZVMWOUNXGXCEZ-QMMMGPOBSA-N -1 1 259.269 1.387 20 0 CDADMM CCOC(=O)CS(=O)(=O)[N-]c1ccc(F)cc1 ZINC000206891927 1175240214 /nfs/dbraw/zinc/24/02/14/1175240214.db2.gz KFJGRJJLKBDFAK-UHFFFAOYSA-N -1 1 261.274 1.131 20 0 CDADMM O=C([O-])c1cnc(C2CCN(Cc3cn[nH]c3)CC2)s1 ZINC001602518047 1175265438 /nfs/dbraw/zinc/26/54/38/1175265438.db2.gz CMSAPUQJSRXMAP-UHFFFAOYSA-N -1 1 292.364 1.944 20 0 CDADMM O=C([O-])c1cncc(S(=O)(=O)Nc2ncccc2F)c1 ZINC001602543443 1175284625 /nfs/dbraw/zinc/28/46/25/1175284625.db2.gz JIYZIZJJFSIFFI-UHFFFAOYSA-N -1 1 297.267 1.115 20 0 CDADMM O=C([O-])c1coc(C(=O)Nc2ccn(-c3ccncc3)n2)c1 ZINC001602551461 1175290895 /nfs/dbraw/zinc/29/08/95/1175290895.db2.gz ZQRHVGJHASSNME-UHFFFAOYSA-N -1 1 298.258 1.811 20 0 CDADMM C/C(=C/C(=O)[O-])CN1CC[C@H](n2cc(Cl)cn2)C1 ZINC001602957068 1175457466 /nfs/dbraw/zinc/45/74/66/1175457466.db2.gz DHEKADWTDZDHNH-NJHLSQGMSA-N -1 1 269.732 1.814 20 0 CDADMM C/C(=C/CN1CCc2c(cccc2C(N)=O)C1)C(=O)[O-] ZINC001602963344 1175463011 /nfs/dbraw/zinc/46/30/11/1175463011.db2.gz CIRJHWGLHYCZOM-YHYXMXQVSA-N -1 1 274.320 1.175 20 0 CDADMM C/C(=C\CN1CCC=C(c2cnn(C)c2)C1)C(=O)[O-] ZINC001602963167 1175463083 /nfs/dbraw/zinc/46/30/83/1175463083.db2.gz WTCRDKGZHDMRQD-VZUCSPMQSA-N -1 1 261.325 1.540 20 0 CDADMM CC(C)(C)n1cc(Nc2ncncc2-c2nn[n-]n2)cn1 ZINC001603132954 1175497803 /nfs/dbraw/zinc/49/78/03/1175497803.db2.gz HRFUCPATTOWRFG-UHFFFAOYSA-N -1 1 285.315 1.352 20 0 CDADMM C[C@H](CC(=O)[O-])NC(=O)c1sccc1CN(C)C ZINC001603134695 1175498692 /nfs/dbraw/zinc/49/86/92/1175498692.db2.gz YYWBTVIKUVZPMD-MRVPVSSYSA-N -1 1 270.354 1.403 20 0 CDADMM CC(C)=CC(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001603184443 1175510023 /nfs/dbraw/zinc/51/00/23/1175510023.db2.gz GQNFFDALPJNDSC-UHFFFAOYSA-N -1 1 273.300 1.372 20 0 CDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001603243691 1175524045 /nfs/dbraw/zinc/52/40/45/1175524045.db2.gz HCFGZUKQYISZKT-YUMQZZPRSA-N -1 1 292.368 1.232 20 0 CDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001603243691 1175524048 /nfs/dbraw/zinc/52/40/48/1175524048.db2.gz HCFGZUKQYISZKT-YUMQZZPRSA-N -1 1 292.368 1.232 20 0 CDADMM CC(C)OC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001603343969 1175544353 /nfs/dbraw/zinc/54/43/53/1175544353.db2.gz WZPAEUUPCXPTFC-UHFFFAOYSA-N -1 1 296.308 1.037 20 0 CDADMM CC(C)OC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001603343969 1175544359 /nfs/dbraw/zinc/54/43/59/1175544359.db2.gz WZPAEUUPCXPTFC-UHFFFAOYSA-N -1 1 296.308 1.037 20 0 CDADMM CC(C)(C)OC(=O)n1cc(-c2nnc[nH]2)cc1C(=O)[O-] ZINC001603506677 1175557893 /nfs/dbraw/zinc/55/78/93/1175557893.db2.gz DJJILBPWISARAC-UHFFFAOYSA-N -1 1 278.268 1.755 20 0 CDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001603687733 1175597500 /nfs/dbraw/zinc/59/75/00/1175597500.db2.gz VITVFXRPTDIPLM-SECBINFHSA-N -1 1 267.296 1.830 20 0 CDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001603687733 1175597505 /nfs/dbraw/zinc/59/75/05/1175597505.db2.gz VITVFXRPTDIPLM-SECBINFHSA-N -1 1 267.296 1.830 20 0 CDADMM CC1(C)CC[C@H](Cn2cccc(-c3nn[n-]n3)c2=O)OC1 ZINC001603771984 1175626840 /nfs/dbraw/zinc/62/68/40/1175626840.db2.gz JCKFXOYBSVOGHG-SNVBAGLBSA-N -1 1 289.339 1.234 20 0 CDADMM CC1(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCC3)CCC1 ZINC001603809104 1175639465 /nfs/dbraw/zinc/63/94/65/1175639465.db2.gz BWLAVFDYUXPNHQ-UHFFFAOYSA-N -1 1 285.351 1.707 20 0 CDADMM CC1=CCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001603825617 1175645355 /nfs/dbraw/zinc/64/53/55/1175645355.db2.gz CIFDGAQOENXUOA-UHFFFAOYSA-N -1 1 259.269 1.252 20 0 CDADMM CC1=CCCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001603825617 1175645359 /nfs/dbraw/zinc/64/53/59/1175645359.db2.gz CIFDGAQOENXUOA-UHFFFAOYSA-N -1 1 259.269 1.252 20 0 CDADMM CC1=C[C@@H](C)CN(c2ncncc2-c2nn[n-]n2)C1 ZINC001603827667 1175646631 /nfs/dbraw/zinc/64/66/31/1175646631.db2.gz NFSZQENGYBLICY-MRVPVSSYSA-N -1 1 257.301 1.059 20 0 CDADMM C[C@H]1CC(C)(C)CN1c1ncncc1-c1nn[n-]n1 ZINC001603845933 1175650351 /nfs/dbraw/zinc/65/03/51/1175650351.db2.gz OERFOVVUINWXPW-QMMMGPOBSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603953003 1175697497 /nfs/dbraw/zinc/69/74/97/1175697497.db2.gz FKVQYLSRVCAWBI-LITAXDCLSA-N -1 1 291.311 1.001 20 0 CDADMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603953003 1175697498 /nfs/dbraw/zinc/69/74/98/1175697498.db2.gz FKVQYLSRVCAWBI-LITAXDCLSA-N -1 1 291.311 1.001 20 0 CDADMM CC(C)Oc1ccnc(CN[C@H]2CCO[C@H]2C(=O)[O-])c1 ZINC001603957021 1175698340 /nfs/dbraw/zinc/69/83/40/1175698340.db2.gz MEBGNCNVENFGCE-QWHCGFSZSA-N -1 1 280.324 1.201 20 0 CDADMM C/C=C/C[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001603963296 1175702066 /nfs/dbraw/zinc/70/20/66/1175702066.db2.gz NPMRCWODTRXHKO-KXMPLOMGSA-N -1 1 285.355 1.839 20 0 CDADMM C/C=C/C[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001603963296 1175702071 /nfs/dbraw/zinc/70/20/71/1175702071.db2.gz NPMRCWODTRXHKO-KXMPLOMGSA-N -1 1 285.355 1.839 20 0 CDADMM CC[C@@H](C)C[C@@H](CO)Nc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001604001393 1175713305 /nfs/dbraw/zinc/71/33/05/1175713305.db2.gz TZWUHTVTYNGVTR-KOLCDFICSA-N -1 1 290.371 1.779 20 0 CDADMM CC[C@@H](C)C[C@@H](CO)Nc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001604001393 1175713317 /nfs/dbraw/zinc/71/33/17/1175713317.db2.gz TZWUHTVTYNGVTR-KOLCDFICSA-N -1 1 290.371 1.779 20 0 CDADMM CC[C@H](C)CCC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001604005332 1175716899 /nfs/dbraw/zinc/71/68/99/1175716899.db2.gz PNACSYWIWDSENL-QMMMGPOBSA-N -1 1 294.384 1.766 20 0 CDADMM CC[C@H](C)CCC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001604005332 1175716903 /nfs/dbraw/zinc/71/69/03/1175716903.db2.gz PNACSYWIWDSENL-QMMMGPOBSA-N -1 1 294.384 1.766 20 0 CDADMM CC[C@@H](C)N(OC)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001604008409 1175719382 /nfs/dbraw/zinc/71/93/82/1175719382.db2.gz YHRVJUSFZLBDLE-SSDOTTSWSA-N -1 1 265.273 1.262 20 0 CDADMM CCC(CC)[C@@H](C)C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001604023422 1175723831 /nfs/dbraw/zinc/72/38/31/1175723831.db2.gz PZGVZFUXIJRUIC-SSDOTTSWSA-N -1 1 291.359 1.909 20 0 CDADMM CC(C)(C)O[N-]C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000134231099 1175814614 /nfs/dbraw/zinc/81/46/14/1175814614.db2.gz AOXYYRHATWVELI-JTQLQIEISA-N -1 1 268.357 1.624 20 0 CDADMM Nc1cccc(S(=O)(=O)[N-]c2ccc(CO)cc2)c1 ZINC000138985228 1177370304 /nfs/dbraw/zinc/37/03/04/1177370304.db2.gz PKWSKSZYXNLQJH-UHFFFAOYSA-N -1 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CCCNC(=O)[C@H](C)S(=O)(=O)c1ccc([O-])cc1 ZINC000049489189 519894470 /nfs/dbraw/zinc/89/44/70/519894470.db2.gz FHIVXWQWBXHKDO-VIFPVBQESA-N -1 1 271.338 1.081 20 0 CDADMM CCCCCC[C@@H](C)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000364701171 520110608 /nfs/dbraw/zinc/11/06/08/520110608.db2.gz WDIMLIRTCZFBQQ-VXGBXAGGSA-N -1 1 295.387 1.706 20 0 CDADMM CC[C@@H](C)CC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000365038794 521936382 /nfs/dbraw/zinc/93/63/82/521936382.db2.gz DHXNEOUXMOSIQP-ZJUUUORDSA-N -1 1 251.334 1.342 20 0 CDADMM CC[C@@H](C)NC(=O)CS(=O)(=O)c1ccc([O-])cc1 ZINC000049489273 522169604 /nfs/dbraw/zinc/16/96/04/522169604.db2.gz JCYXQXJHRQKJDP-SECBINFHSA-N -1 1 271.338 1.081 20 0 CDADMM COC[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCO1)c1ccco1 ZINC000080790223 522373017 /nfs/dbraw/zinc/37/30/17/522373017.db2.gz OJMKDRLLVPTKMT-WDEREUQCSA-N -1 1 289.353 1.066 20 0 CDADMM CO[C@@H](C)c1nc(=NCC[C@@H](O)C(C)C)s[n-]1 ZINC000337887551 523458828 /nfs/dbraw/zinc/45/88/28/523458828.db2.gz ZATUGAWBCSEUPR-DTWKUNHWSA-N -1 1 259.375 1.486 20 0 CDADMM CCc1cc(=O)[n-]c(SCCN2CCCC2=O)n1 ZINC000188080985 523740966 /nfs/dbraw/zinc/74/09/66/523740966.db2.gz FDRXZUGIRCRSHQ-UHFFFAOYSA-N -1 1 267.354 1.047 20 0 CDADMM CO[C@H](C)c1nc(=NCCCNC(=O)C(C)C)s[n-]1 ZINC000337867758 523907761 /nfs/dbraw/zinc/90/77/61/523907761.db2.gz LSNFYKAIFXXCPL-SECBINFHSA-N -1 1 286.401 1.242 20 0 CDADMM CCc1ccc(NC(=O)[C@H](C)N(C)CCC(=O)[O-])cc1 ZINC000062453640 523989223 /nfs/dbraw/zinc/98/92/23/523989223.db2.gz GPCKLCZKRIFIOL-NSHDSACASA-N -1 1 278.352 1.983 20 0 CDADMM COc1ccc(F)cc1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000183397603 524299118 /nfs/dbraw/zinc/29/91/18/524299118.db2.gz FIAOLZUZNFTFRK-QMMMGPOBSA-N -1 1 293.302 1.223 20 0 CDADMM C[C@@H]1Cc2ccccc2N1C(=O)CN[C@H](C(=O)[O-])C1CC1 ZINC000054522780 525528541 /nfs/dbraw/zinc/52/85/41/525528541.db2.gz QPTUWJRTCYMOKW-BMIGLBTASA-N -1 1 288.347 1.417 20 0 CDADMM Cc1cc(CN(C)CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cs1 ZINC001600189576 1174395069 /nfs/dbraw/zinc/39/50/69/1174395069.db2.gz ANJCZVZOUHIKDF-RYUDHWBXSA-N -1 1 296.392 1.325 20 0 CDADMM C[C@@H](O)C[C@H](C)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000340796620 525834599 /nfs/dbraw/zinc/83/45/99/525834599.db2.gz WJYAZBNAILTFJS-NKWVEPMBSA-N -1 1 297.298 1.542 20 0 CDADMM O=C(c1cc(F)ccc1[O-])N1CCO[C@@H](c2ncon2)C1 ZINC000363775519 526623168 /nfs/dbraw/zinc/62/31/68/526623168.db2.gz HCOIAKLMCJQGON-LLVKDONJSA-N -1 1 293.254 1.128 20 0 CDADMM O=C(CNC(=O)c1ccccc1)Nc1ccc(F)cc1[O-] ZINC000340329167 526863091 /nfs/dbraw/zinc/86/30/91/526863091.db2.gz VQUAQEFECRONED-UHFFFAOYSA-N -1 1 288.278 1.900 20 0 CDADMM O=C(Nc1nnn[n-]1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184061477 527540200 /nfs/dbraw/zinc/54/02/00/527540200.db2.gz CDXXCRNOMIGLKO-RITPCOANSA-N -1 1 283.213 1.359 20 0 CDADMM O=C(Nc1nn[n-]n1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184061477 527540202 /nfs/dbraw/zinc/54/02/02/527540202.db2.gz CDXXCRNOMIGLKO-RITPCOANSA-N -1 1 283.213 1.359 20 0 CDADMM CCOC(=O)C[C@H](C)NC(=O)c1ccc([O-])cc1F ZINC000164899910 528895561 /nfs/dbraw/zinc/89/55/61/528895561.db2.gz IWGWASIRNMYADH-QMMMGPOBSA-N -1 1 269.272 1.603 20 0 CDADMM CC(C)(NC(=O)[C@H]1CCCc2sccc21)c1nn[n-]n1 ZINC000434240548 535236323 /nfs/dbraw/zinc/23/63/23/535236323.db2.gz UGVUXUHDBUYEQY-VIFPVBQESA-N -1 1 291.380 1.733 20 0 CDADMM CCC[C@@H](C)CC(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000183393571 535323366 /nfs/dbraw/zinc/32/33/66/535323366.db2.gz KDGUWBAWNRGHML-NXEZZACHSA-N -1 1 253.350 1.588 20 0 CDADMM CC(C)c1cc(=NC(=O)C(=O)c2ccc([O-])cc2)[nH][nH]1 ZINC000438910359 535336977 /nfs/dbraw/zinc/33/69/77/535336977.db2.gz ASWFGHVJZOYBMC-UHFFFAOYSA-N -1 1 273.292 1.482 20 0 CDADMM CCc1n[nH]c([N-]S(=O)(=O)c2cnn(C)c2C)c1C ZINC000427748947 536011988 /nfs/dbraw/zinc/01/19/88/536011988.db2.gz NGFXOARRVOLEAR-UHFFFAOYSA-N -1 1 283.357 1.123 20 0 CDADMM Cc1cc2[nH]ncc2cc1NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001600306227 1174441972 /nfs/dbraw/zinc/44/19/72/1174441972.db2.gz FPBDWPFHPXRQHR-DTORHVGOSA-N -1 1 273.292 1.921 20 0 CDADMM Cc1cnc(CN[C@@]2(CC(=O)[O-])CCCOC2)s1 ZINC001600621321 1174534482 /nfs/dbraw/zinc/53/44/82/1174534482.db2.gz RZSZZLMMPRHJMR-GFCCVEGCSA-N -1 1 270.354 1.565 20 0 CDADMM Cc1nc(C)c(NS(=O)(=O)CC(C)(C)C(=O)[O-])s1 ZINC001600692905 1174566671 /nfs/dbraw/zinc/56/66/71/1174566671.db2.gz RWNRTKIYMAAJAX-UHFFFAOYSA-N -1 1 292.382 1.612 20 0 CDADMM CC[C@@]1(N=c2nc(C(F)(F)F)[n-]s2)CCOC1 ZINC000393462131 574420200 /nfs/dbraw/zinc/42/02/00/574420200.db2.gz APXRBCLIQITJRY-MRVPVSSYSA-N -1 1 267.276 1.960 20 0 CDADMM Cc1oc(CN(CCO)[C@H]2CCO[C@H]2C)cc1C(=O)[O-] ZINC001600846139 1174640983 /nfs/dbraw/zinc/64/09/83/1174640983.db2.gz WXHUPMAJPGNVSJ-GWCFXTLKSA-N -1 1 283.324 1.258 20 0 CDADMM Cc1sc([C@@H]2CCCN2Cc2nnc[nH]2)nc1C(=O)[O-] ZINC001600884772 1174652547 /nfs/dbraw/zinc/65/25/47/1174652547.db2.gz OGKLXCLHJITJSK-QMMMGPOBSA-N -1 1 293.352 1.605 20 0 CDADMM CC1(C)CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000103591544 1174682589 /nfs/dbraw/zinc/68/25/89/1174682589.db2.gz IXHBCKNKYMYAGM-UHFFFAOYSA-N -1 1 258.329 1.888 20 0 CDADMM CC1(C)CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000103591544 1174682591 /nfs/dbraw/zinc/68/25/91/1174682591.db2.gz IXHBCKNKYMYAGM-UHFFFAOYSA-N -1 1 258.329 1.888 20 0 CDADMM O=C([O-])c1ncn(CN2CCC[C@@H]2C2CCC2)n1 ZINC000740285000 574583885 /nfs/dbraw/zinc/58/38/85/574583885.db2.gz RDVOLIWUXGQIEA-SNVBAGLBSA-N -1 1 250.302 1.198 20 0 CDADMM c1ccc2c(c1)SC[C@@H]2Nc1nccnc1-c1nnn[n-]1 ZINC000738441546 574587638 /nfs/dbraw/zinc/58/76/38/574587638.db2.gz KXJIKUPBDSFMSA-VIFPVBQESA-N -1 1 297.347 1.916 20 0 CDADMM c1ccc2c(c1)SC[C@@H]2Nc1nccnc1-c1nn[n-]n1 ZINC000738441546 574587640 /nfs/dbraw/zinc/58/76/40/574587640.db2.gz KXJIKUPBDSFMSA-VIFPVBQESA-N -1 1 297.347 1.916 20 0 CDADMM CC1CCC(C)(NC(=O)CCn2cc[n-]c(=O)c2=O)CC1 ZINC000729264955 574743182 /nfs/dbraw/zinc/74/31/82/574743182.db2.gz YWZZAEKANAQNRU-UHFFFAOYSA-N -1 1 293.367 1.012 20 0 CDADMM O=C([O-])[C@H]1CCN(Cn2cnc(-c3ccccc3)n2)C1 ZINC000739599119 574818354 /nfs/dbraw/zinc/81/83/54/574818354.db2.gz SNJNWBOLHFGPKC-LBPRGKRZSA-N -1 1 272.308 1.309 20 0 CDADMM CC(=O)c1cccc(OS(=O)(=O)c2c[n-]nc2C)c1 ZINC000730099522 574849937 /nfs/dbraw/zinc/84/99/37/574849937.db2.gz RSSCXNDKQLZILS-UHFFFAOYSA-N -1 1 280.305 1.688 20 0 CDADMM CCO[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)C(F)F)[C@]12CCCO2 ZINC000759243204 574920875 /nfs/dbraw/zinc/92/08/75/574920875.db2.gz BWLBDWOYKPDENP-SOCHQFKDSA-N -1 1 299.264 1.730 20 0 CDADMM O=C([O-])[C@H](c1c(F)cccc1Cl)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001601691059 1174947313 /nfs/dbraw/zinc/94/73/13/1174947313.db2.gz ULVYVGQZSSDVEE-QARKVSRYSA-N -1 1 299.729 1.775 20 0 CDADMM COCCN1CCN([C@H](C)c2ccc(C(=O)[O-])o2)C[C@H]1C ZINC000737814645 575047467 /nfs/dbraw/zinc/04/74/67/575047467.db2.gz XHHOIZMYVPIMAV-VXGBXAGGSA-N -1 1 296.367 1.691 20 0 CDADMM COCCN1CCN([C@H](C)c2ccc(C(=O)[O-])o2)C[C@@H]1C ZINC000737814643 575047558 /nfs/dbraw/zinc/04/75/58/575047558.db2.gz XHHOIZMYVPIMAV-NWDGAFQWSA-N -1 1 296.367 1.691 20 0 CDADMM C[C@@H]1CCCC[C@H]1CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732089798 575079224 /nfs/dbraw/zinc/07/92/24/575079224.db2.gz NANKULJRBASRJE-GRYCIOLGSA-N -1 1 293.371 1.316 20 0 CDADMM C[C@@H](CCC(C)(C)C)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000755292533 575121430 /nfs/dbraw/zinc/12/14/30/575121430.db2.gz BZHCAUVHLFMUDA-WDEREUQCSA-N -1 1 295.387 1.562 20 0 CDADMM C[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@H]1O ZINC000768827305 575138165 /nfs/dbraw/zinc/13/81/65/575138165.db2.gz PBJHBRBNPDHBKY-GMSGAONNSA-N -1 1 255.701 1.498 20 0 CDADMM O=C(c1cc(O)ccc1Cl)N1CC[N@H+]2CC[C@H]1C2 ZINC000381702063 575158905 /nfs/dbraw/zinc/15/89/05/575158905.db2.gz OZNICSGTTVYMBS-VIFPVBQESA-N -1 1 266.728 1.576 20 0 CDADMM CCCOC(=O)[C@H](C)N1CCCC[C@H]1CC(=O)[O-] ZINC000737029765 575799572 /nfs/dbraw/zinc/79/95/72/575799572.db2.gz MPAQYUJCEJYXQJ-QWRGUYRKSA-N -1 1 257.330 1.657 20 0 CDADMM Cc1cc(NC(=O)c2ccc3n[n-]c(=S)n3c2)n(C)n1 ZINC000774359211 575201171 /nfs/dbraw/zinc/20/11/71/575201171.db2.gz YQTNWTKWTOMCGN-UHFFFAOYSA-N -1 1 288.336 1.312 20 0 CDADMM O=C(COCC1CC1)OCCC[N-]C(=O)C(F)(F)F ZINC000774923222 575252166 /nfs/dbraw/zinc/25/21/66/575252166.db2.gz ZKTZBURYXRKPRC-UHFFFAOYSA-N -1 1 283.246 1.025 20 0 CDADMM COCc1ccc(NC(=O)C2=C([O-])C(C)N=N2)cc1 ZINC000769525465 575356420 /nfs/dbraw/zinc/35/64/20/575356420.db2.gz UZXIKTASQPCHJN-UHFFFAOYSA-N -1 1 261.281 1.822 20 0 CDADMM COC(=O)[C@H]1CCCN1C(=O)c1c([O-])cccc1Cl ZINC000769671051 575369499 /nfs/dbraw/zinc/36/94/99/575369499.db2.gz HLMYDBAYKOKZPQ-SECBINFHSA-N -1 1 283.711 1.823 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCO[C@@H](C)C1 ZINC000770265068 575435786 /nfs/dbraw/zinc/43/57/86/575435786.db2.gz JZNIBAVUBHWDAH-GXSJLCMTSA-N -1 1 293.367 1.911 20 0 CDADMM CC(C)[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735702192 575501073 /nfs/dbraw/zinc/50/10/73/575501073.db2.gz OTRPRUARDPACNC-VIFPVBQESA-N -1 1 274.328 1.284 20 0 CDADMM CC(C)[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735702192 575501076 /nfs/dbraw/zinc/50/10/76/575501076.db2.gz OTRPRUARDPACNC-VIFPVBQESA-N -1 1 274.328 1.284 20 0 CDADMM CCC[C@@H](NC(=O)CCn1nc(C)cc1C)c1nn[n-]n1 ZINC000736430447 575659196 /nfs/dbraw/zinc/65/91/96/575659196.db2.gz DYVLMJTYTNSTCX-LLVKDONJSA-N -1 1 291.359 1.061 20 0 CDADMM C[C@@H]1CCC[C@@H](C)N(Cn2cnc(C(=O)[O-])n2)C1 ZINC000736775827 575740136 /nfs/dbraw/zinc/74/01/36/575740136.db2.gz SGVPCGGGWAUBPR-NXEZZACHSA-N -1 1 252.318 1.444 20 0 CDADMM CC[C@](C)(NCc1occc1C(=O)OC)C(=O)[O-] ZINC000736864821 575766661 /nfs/dbraw/zinc/76/66/61/575766661.db2.gz YQMISYNXGXCZPC-LBPRGKRZSA-N -1 1 255.270 1.409 20 0 CDADMM CC(C)CCC(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773152852 575785943 /nfs/dbraw/zinc/78/59/43/575785943.db2.gz NRDTYQWUQNREGB-SECBINFHSA-N -1 1 269.374 1.252 20 0 CDADMM COc1ccccc1C[C@@H](C)CC(=O)OCc1nn[n-]n1 ZINC000737152597 575833573 /nfs/dbraw/zinc/83/35/73/575833573.db2.gz KNAVTTLLEVTLMT-SNVBAGLBSA-N -1 1 290.323 1.520 20 0 CDADMM Cc1cccc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000737395988 575955204 /nfs/dbraw/zinc/95/52/04/575955204.db2.gz DOUGDFAEBABGQA-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1cccc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000737395988 575955208 /nfs/dbraw/zinc/95/52/08/575955208.db2.gz DOUGDFAEBABGQA-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM CN(Cc1ccc(C(=O)[O-])cc1)[C@H]1CCCCNC1=O ZINC000737470542 575972781 /nfs/dbraw/zinc/97/27/81/575972781.db2.gz ISBPSDGLEWFLJZ-ZDUSSCGKSA-N -1 1 276.336 1.485 20 0 CDADMM Clc1ccc(NCc2cocn2)nc1-c1nnn[n-]1 ZINC000737576162 575995369 /nfs/dbraw/zinc/99/53/69/575995369.db2.gz WSYGNRWBOPDMMK-UHFFFAOYSA-N -1 1 277.675 1.515 20 0 CDADMM Clc1ccc(NCc2cocn2)nc1-c1nn[n-]n1 ZINC000737576162 575995370 /nfs/dbraw/zinc/99/53/70/575995370.db2.gz WSYGNRWBOPDMMK-UHFFFAOYSA-N -1 1 277.675 1.515 20 0 CDADMM Cn1[n-]c(COC(=O)/C=C/c2cccc(F)c2)nc1=O ZINC000765399353 576016174 /nfs/dbraw/zinc/01/61/74/576016174.db2.gz WSIHCPULVXZOKZ-AATRIKPKSA-N -1 1 277.255 1.004 20 0 CDADMM Cn1[n-]c(COC(=O)C2C3CC4CC(C3)CC2C4)nc1=O ZINC000765410239 576017755 /nfs/dbraw/zinc/01/77/55/576017755.db2.gz XFRXTABNRHQDAA-UHFFFAOYSA-N -1 1 291.351 1.224 20 0 CDADMM Cc1cc(C(=O)OCc2nc(=O)n(C)[n-]2)cc(C)c1F ZINC000765495739 576030661 /nfs/dbraw/zinc/03/06/61/576030661.db2.gz GXBFNVUVTQKPQR-UHFFFAOYSA-N -1 1 279.271 1.221 20 0 CDADMM Cc1ccc(Cl)cc1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765503025 576031966 /nfs/dbraw/zinc/03/19/66/576031966.db2.gz PTVZMGFCXJHJEG-UHFFFAOYSA-N -1 1 281.699 1.427 20 0 CDADMM O=C(OCC(F)F)c1sccc1-c1nn[n-]n1 ZINC000738217967 576049161 /nfs/dbraw/zinc/04/91/61/576049161.db2.gz BDMUPBRTXFXZSN-UHFFFAOYSA-N -1 1 260.225 1.350 20 0 CDADMM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)[O-])[nH]n2)o1 ZINC000738248039 576053231 /nfs/dbraw/zinc/05/32/31/576053231.db2.gz BYWQWKDRYADGRW-ZETCQYMHSA-N -1 1 264.237 1.608 20 0 CDADMM O=C([O-])[C@@H](CNC(=O)C(F)(F)F)Cc1cccc(F)c1 ZINC000739499019 576241979 /nfs/dbraw/zinc/24/19/79/576241979.db2.gz QDMBVALPIRHJOE-MRVPVSSYSA-N -1 1 293.216 1.748 20 0 CDADMM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000739552631 576252538 /nfs/dbraw/zinc/25/25/38/576252538.db2.gz JHGTWNAYOHFINT-WDSKDSINSA-N -1 1 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/nfs/dbraw/zinc/10/13/20/605101320.db2.gz KCBWDQSRWCABCC-RYUDHWBXSA-N -1 1 270.373 1.286 20 0 CDADMM C[C@@H]1CCC[C@@H](C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)C1 ZINC000833608523 605111976 /nfs/dbraw/zinc/11/19/76/605111976.db2.gz BDNFNLWJNOVBPW-MGPQQGTHSA-N -1 1 296.411 1.820 20 0 CDADMM C[C@@H]1CC[C@]2(CCN(CN3C[C@@H](C(=O)[O-])CC3=O)C2)C1 ZINC000833609938 605178143 /nfs/dbraw/zinc/17/81/43/605178143.db2.gz HRYGVUHSJZPXOZ-XUJVJEKNSA-N -1 1 280.368 1.389 20 0 CDADMM CC(C)([NH2+]Cc1cc(=O)oc2cc([O-])ccc12)C(=O)[O-] ZINC000087624987 605238710 /nfs/dbraw/zinc/23/87/10/605238710.db2.gz SNIAOUKGKPWTJE-UHFFFAOYSA-N -1 1 277.276 1.451 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CN2CCCC[C@@H]2C2OCCO2)O1 ZINC000833586582 605328745 /nfs/dbraw/zinc/32/87/45/605328745.db2.gz YWIZEHZMMHWCCP-DGCLKSJQSA-N -1 1 297.351 1.361 20 0 CDADMM C[C@@H](C(=O)[O-])N1CCc2c(ncn2-c2ccccc2)C1 ZINC000819896130 605386920 /nfs/dbraw/zinc/38/69/20/605386920.db2.gz WZNINMKAMIAQTP-NSHDSACASA-N -1 1 271.320 1.704 20 0 CDADMM Cc1cc(CNC(=O)NCC2(C(=O)[O-])CCCCC2)n[nH]1 ZINC000833745396 605399631 /nfs/dbraw/zinc/39/96/31/605399631.db2.gz GGXUCNRDSUKJIK-UHFFFAOYSA-N -1 1 294.355 1.552 20 0 CDADMM C(=Cc1ccncn1)c1nc(-c2nnn[n-]2)cs1 ZINC001602745390 1175382729 /nfs/dbraw/zinc/38/27/29/1175382729.db2.gz CYOBHFNYACVSDF-UPHRSURJSA-N -1 1 257.282 1.284 20 0 CDADMM C(=Cc1ccncn1)c1nc(-c2nn[n-]n2)cs1 ZINC001602745390 1175382735 /nfs/dbraw/zinc/38/27/35/1175382735.db2.gz CYOBHFNYACVSDF-UPHRSURJSA-N -1 1 257.282 1.284 20 0 CDADMM C[C@H](NC(=O)NCCCCCCC(=O)[O-])c1nnc[nH]1 ZINC000230434454 605501103 /nfs/dbraw/zinc/50/11/03/605501103.db2.gz RNQUZANHENNGSM-VIFPVBQESA-N -1 1 283.332 1.200 20 0 CDADMM C[C@@H]1CN(Cc2cccc(Br)n2)C[C@H]1C(=O)[O-] ZINC000833628816 605522042 /nfs/dbraw/zinc/52/20/42/605522042.db2.gz BLOGIZRMVDYSLT-PSASIEDQSA-N -1 1 299.168 1.997 20 0 CDADMM COCCCCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821686870 606539117 /nfs/dbraw/zinc/53/91/17/606539117.db2.gz CULDQSVWFPZWGL-UHFFFAOYSA-N -1 1 295.368 1.475 20 0 CDADMM COCCCCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821686870 606539119 /nfs/dbraw/zinc/53/91/19/606539119.db2.gz CULDQSVWFPZWGL-UHFFFAOYSA-N -1 1 295.368 1.475 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC2(CC2)CC1 ZINC000823484149 606558235 /nfs/dbraw/zinc/55/82/35/606558235.db2.gz SBXJWTYHGQNUEG-UHFFFAOYSA-N -1 1 289.364 1.944 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC2(CC2)CC1 ZINC000823484149 606558237 /nfs/dbraw/zinc/55/82/37/606558237.db2.gz SBXJWTYHGQNUEG-UHFFFAOYSA-N -1 1 289.364 1.944 20 0 CDADMM FC1(F)CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC000822736809 606881747 /nfs/dbraw/zinc/88/17/47/606881747.db2.gz KOFSZWWNZWOHJK-ZCFIWIBFSA-N -1 1 267.243 1.256 20 0 CDADMM FC1(F)CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC000822736809 606881750 /nfs/dbraw/zinc/88/17/50/606881750.db2.gz KOFSZWWNZWOHJK-ZCFIWIBFSA-N -1 1 267.243 1.256 20 0 CDADMM Cn1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000822684915 606968534 /nfs/dbraw/zinc/96/85/34/606968534.db2.gz LWFDKCRXAARKGV-UHFFFAOYSA-N -1 1 284.279 1.163 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc(Cl)o1 ZINC000823379740 607109042 /nfs/dbraw/zinc/10/90/42/607109042.db2.gz GQSYLHSEVPUWNI-UHFFFAOYSA-N -1 1 296.699 1.822 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(Cl)o1 ZINC000823379740 607109043 /nfs/dbraw/zinc/10/90/43/607109043.db2.gz GQSYLHSEVPUWNI-UHFFFAOYSA-N -1 1 296.699 1.822 20 0 CDADMM O=C(Cc1ccco1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823115874 607234729 /nfs/dbraw/zinc/23/47/29/607234729.db2.gz VXEKWLIKFNGIJL-UHFFFAOYSA-N -1 1 285.263 1.347 20 0 CDADMM CC[C@@H](CCOC)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825114132 607836805 /nfs/dbraw/zinc/83/68/05/607836805.db2.gz JXJGLFYUJVQGPA-QMMMGPOBSA-N -1 1 296.352 1.900 20 0 CDADMM CC[C@@H](CCOC)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825114132 607836806 /nfs/dbraw/zinc/83/68/06/607836806.db2.gz JXJGLFYUJVQGPA-QMMMGPOBSA-N -1 1 296.352 1.900 20 0 CDADMM CN(C)c1cccc(CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000825879696 607898014 /nfs/dbraw/zinc/89/80/14/607898014.db2.gz OLVRXICXLWRHMT-UHFFFAOYSA-N -1 1 295.350 1.940 20 0 CDADMM CN(C)c1cccc(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000825879696 607898015 /nfs/dbraw/zinc/89/80/15/607898015.db2.gz OLVRXICXLWRHMT-UHFFFAOYSA-N -1 1 295.350 1.940 20 0 CDADMM CNc1nc(CNc2cccc(-c3nnn[n-]3)n2)cs1 ZINC000826099111 607900647 /nfs/dbraw/zinc/90/06/47/607900647.db2.gz YNMLRAHWRMAFNL-UHFFFAOYSA-N -1 1 288.340 1.372 20 0 CDADMM CNc1nc(CNc2cccc(-c3nn[n-]n3)n2)cs1 ZINC000826099111 607900648 /nfs/dbraw/zinc/90/06/48/607900648.db2.gz YNMLRAHWRMAFNL-UHFFFAOYSA-N -1 1 288.340 1.372 20 0 CDADMM C[C@@H]1C[C@@H](C)CN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824875603 607987706 /nfs/dbraw/zinc/98/77/06/607987706.db2.gz NOHRUMYOHLZGKG-RKDXNWHRSA-N -1 1 259.317 1.139 20 0 CDADMM C[C@@H]1C[C@@H](C)CN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824875603 607987707 /nfs/dbraw/zinc/98/77/07/607987707.db2.gz NOHRUMYOHLZGKG-RKDXNWHRSA-N -1 1 259.317 1.139 20 0 CDADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc[nH]1 ZINC000824662979 608017210 /nfs/dbraw/zinc/01/72/10/608017210.db2.gz UBLIASRLGLRIHA-QMMMGPOBSA-N -1 1 255.285 1.763 20 0 CDADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc[nH]1 ZINC000824662979 608017211 /nfs/dbraw/zinc/01/72/11/608017211.db2.gz UBLIASRLGLRIHA-QMMMGPOBSA-N -1 1 255.285 1.763 20 0 CDADMM CCN(CCCO)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825419389 608187691 /nfs/dbraw/zinc/18/76/91/608187691.db2.gz OMVHHCQFOXFENV-UHFFFAOYSA-N -1 1 288.764 1.185 20 0 CDADMM CCN(CCCO)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825419389 608187692 /nfs/dbraw/zinc/18/76/92/608187692.db2.gz OMVHHCQFOXFENV-UHFFFAOYSA-N -1 1 288.764 1.185 20 0 CDADMM C[C@]1(Nc2snc(Cl)c2-c2nnn[n-]2)CCOC1 ZINC000824838641 608191870 /nfs/dbraw/zinc/19/18/70/608191870.db2.gz SDXFHEOAMXBKOD-VIFPVBQESA-N -1 1 286.748 1.568 20 0 CDADMM C[C@]1(Nc2snc(Cl)c2-c2nn[n-]n2)CCOC1 ZINC000824838641 608191872 /nfs/dbraw/zinc/19/18/72/608191872.db2.gz SDXFHEOAMXBKOD-VIFPVBQESA-N -1 1 286.748 1.568 20 0 CDADMM c1ccc(CSc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826521960 608389499 /nfs/dbraw/zinc/38/94/99/608389499.db2.gz FVKQRYIWNBWXCN-UHFFFAOYSA-N -1 1 270.321 1.949 20 0 CDADMM c1ccc(CSc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826521960 608389502 /nfs/dbraw/zinc/38/95/02/608389502.db2.gz FVKQRYIWNBWXCN-UHFFFAOYSA-N -1 1 270.321 1.949 20 0 CDADMM c1cncc(CN(c2ccc(-c3nnn[n-]3)nn2)C2CC2)c1 ZINC000826525376 608404527 /nfs/dbraw/zinc/40/45/27/608404527.db2.gz HPFSHNUHDHWEHX-UHFFFAOYSA-N -1 1 294.322 1.221 20 0 CDADMM c1cncc(CN(c2ccc(-c3nn[n-]n3)nn2)C2CC2)c1 ZINC000826525376 608404529 /nfs/dbraw/zinc/40/45/29/608404529.db2.gz HPFSHNUHDHWEHX-UHFFFAOYSA-N -1 1 294.322 1.221 20 0 CDADMM CC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC000824832015 608416837 /nfs/dbraw/zinc/41/68/37/608416837.db2.gz QDUQCZXJYKZKHY-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM CC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC000824832015 608416838 /nfs/dbraw/zinc/41/68/38/608416838.db2.gz QDUQCZXJYKZKHY-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ccc(-c2nnn[n-]2)nn1 ZINC000824901597 608424618 /nfs/dbraw/zinc/42/46/18/608424618.db2.gz ZHTOWPANHDHAAR-FOGDFJRCSA-N -1 1 285.355 1.814 20 0 CDADMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ccc(-c2nn[n-]n2)nn1 ZINC000824901597 608424620 /nfs/dbraw/zinc/42/46/20/608424620.db2.gz ZHTOWPANHDHAAR-FOGDFJRCSA-N -1 1 285.355 1.814 20 0 CDADMM CC(C)CCSc1ccc(-c2nnn[n-]2)nn1 ZINC000824249490 608426127 /nfs/dbraw/zinc/42/61/27/608426127.db2.gz OUQOJMOXUAOWAG-UHFFFAOYSA-N -1 1 250.331 1.795 20 0 CDADMM CC(C)CCSc1ccc(-c2nn[n-]n2)nn1 ZINC000824249490 608426128 /nfs/dbraw/zinc/42/61/28/608426128.db2.gz OUQOJMOXUAOWAG-UHFFFAOYSA-N -1 1 250.331 1.795 20 0 CDADMM Cc1c(NCc2ccc(-c3nnn[n-]3)o2)cnn1C ZINC000826242441 608428322 /nfs/dbraw/zinc/42/83/22/608428322.db2.gz OXCYAHXJAGUFFD-UHFFFAOYSA-N -1 1 259.273 1.114 20 0 CDADMM Cc1c(NCc2ccc(-c3nn[n-]n3)o2)cnn1C ZINC000826242441 608428323 /nfs/dbraw/zinc/42/83/23/608428323.db2.gz OXCYAHXJAGUFFD-UHFFFAOYSA-N -1 1 259.273 1.114 20 0 CDADMM Cc1nc(C)c(Cn2ccnc2-c2nnn[n-]2)s1 ZINC000826324428 608892638 /nfs/dbraw/zinc/89/26/38/608892638.db2.gz QGXUFFVCQIEORN-UHFFFAOYSA-N -1 1 261.314 1.185 20 0 CDADMM Cc1nc(C)c(Cn2ccnc2-c2nn[n-]n2)s1 ZINC000826324428 608892643 /nfs/dbraw/zinc/89/26/43/608892643.db2.gz QGXUFFVCQIEORN-UHFFFAOYSA-N -1 1 261.314 1.185 20 0 CDADMM Cc1cc(NCc2ccc(-c3nn[n-]n3)s2)no1 ZINC000826271121 609264834 /nfs/dbraw/zinc/26/48/34/609264834.db2.gz DEHJUSIZMSXMOH-UHFFFAOYSA-N -1 1 262.298 1.837 20 0 CDADMM COC1(CNc2cccc(-c3nnn[n-]3)n2)CCC1 ZINC000826144914 609554253 /nfs/dbraw/zinc/55/42/53/609554253.db2.gz VOOOOQFDVZTCRD-UHFFFAOYSA-N -1 1 260.301 1.243 20 0 CDADMM COC1(CNc2cccc(-c3nn[n-]n3)n2)CCC1 ZINC000826144914 609554256 /nfs/dbraw/zinc/55/42/56/609554256.db2.gz VOOOOQFDVZTCRD-UHFFFAOYSA-N -1 1 260.301 1.243 20 0 CDADMM NC(=O)C[C@H]1CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000807911224 617357172 /nfs/dbraw/zinc/35/71/72/617357172.db2.gz MCXYOOSKAUBXGH-MRVPVSSYSA-N -1 1 282.727 1.383 20 0 CDADMM CC(C)=CCN1CCCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC000980980236 614294430 /nfs/dbraw/zinc/29/44/30/614294430.db2.gz XTYMMVSWBFWIAP-UHFFFAOYSA-N -1 1 292.383 1.538 20 0 CDADMM CC[N@H+](CCCO)Cc1ncc(Br)cc1[O-] ZINC000892111117 617487310 /nfs/dbraw/zinc/48/73/10/617487310.db2.gz JGXOTKHMLOHQQM-UHFFFAOYSA-N -1 1 289.173 1.754 20 0 CDADMM CCOC1(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CCC1 ZINC000891616245 617505386 /nfs/dbraw/zinc/50/53/86/617505386.db2.gz WVAHSTNHVPYMAF-UHFFFAOYSA-N -1 1 291.351 1.959 20 0 CDADMM O=S(=O)([N-]CCC1CCC1)c1ccc(F)nc1F ZINC000866945200 620717513 /nfs/dbraw/zinc/71/75/13/620717513.db2.gz BVCGMRRXQSEYMY-UHFFFAOYSA-N -1 1 276.308 1.828 20 0 CDADMM C[C@H](CC(=O)N(C)c1nn[n-]n1)c1ccc(F)cc1F ZINC000892954581 617977318 /nfs/dbraw/zinc/97/73/18/617977318.db2.gz MMSSPANNIXMVLF-SSDOTTSWSA-N -1 1 281.266 1.635 20 0 CDADMM COCc1nc(N2CCOC3(CCCCC3)C2)cc(=O)[n-]1 ZINC000892686920 617592003 /nfs/dbraw/zinc/59/20/03/617592003.db2.gz FWLPHMKDSGUTNQ-UHFFFAOYSA-N -1 1 293.367 1.868 20 0 CDADMM O=C(N[C@H]1CC12CC(O)C2)c1ccc2ccc(O)cc2c1[O-] ZINC000888948751 617600860 /nfs/dbraw/zinc/60/08/60/617600860.db2.gz NSPOCMZHANPLKY-WKXXDYOBSA-N -1 1 299.326 1.894 20 0 CDADMM CCCc1noc(CN2C[C@H](C)[C@@H](C(=O)[O-])C2)n1 ZINC000223822519 617765472 /nfs/dbraw/zinc/76/54/72/617765472.db2.gz YAYXNQNVFJEDLV-IUCAKERBSA-N -1 1 253.302 1.175 20 0 CDADMM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)N(C)C ZINC000909369196 617969954 /nfs/dbraw/zinc/96/99/54/617969954.db2.gz BTOLINYTSXMUSV-SKDRFNHKSA-N -1 1 298.770 1.922 20 0 CDADMM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)Cc1cnc[nH]1 ZINC000909373420 617994446 /nfs/dbraw/zinc/99/44/46/617994446.db2.gz XSIVYXGBTQIRGE-ZDUSSCGKSA-N -1 1 287.319 1.593 20 0 CDADMM COCc1nc(N[C@@H]2CCOC(C)(C)C2)cc(=O)[n-]1 ZINC000892969950 618003397 /nfs/dbraw/zinc/00/33/97/618003397.db2.gz AFMWHYDQVVFJQY-SECBINFHSA-N -1 1 267.329 1.698 20 0 CDADMM CCC(CC)(CNC(=O)[C@H]1CCc2nc[nH]c2C1)C(=O)[O-] ZINC000909381423 618036032 /nfs/dbraw/zinc/03/60/32/618036032.db2.gz AJERTIHKBXNNCB-JTQLQIEISA-N -1 1 293.367 1.522 20 0 CDADMM CCC(CC)(CNC(=O)C1(N(C)C)CC1)C(=O)[O-] ZINC000909383388 618044044 /nfs/dbraw/zinc/04/40/44/618044044.db2.gz SIOUXMMMVNVRLW-UHFFFAOYSA-N -1 1 256.346 1.088 20 0 CDADMM CC1(NC(=O)CN2CCC[C@H](C(=O)[O-])C2)CCCCC1 ZINC000909402377 618087679 /nfs/dbraw/zinc/08/76/79/618087679.db2.gz LJVCRPVDSNBURN-LBPRGKRZSA-N -1 1 282.384 1.622 20 0 CDADMM COCc1nc(N2CC[C@@H](n3cc(C)cn3)C2)cc(=O)[n-]1 ZINC000893922133 618180606 /nfs/dbraw/zinc/18/06/06/618180606.db2.gz AWQIJEVFETXENK-LLVKDONJSA-N -1 1 289.339 1.285 20 0 CDADMM COCc1nc(N2CC[C@@](C)(COC)C2)cc(=O)[n-]1 ZINC000894024265 618258158 /nfs/dbraw/zinc/25/81/58/618258158.db2.gz QOKOQQUPODBOEZ-CYBMUJFWSA-N -1 1 267.329 1.191 20 0 CDADMM O=C(c1cc(Cl)ccc1[O-])N1CCCn2nncc2C1 ZINC000894256415 618293148 /nfs/dbraw/zinc/29/31/48/618293148.db2.gz AKPANEJIRZCFSX-UHFFFAOYSA-N -1 1 292.726 1.683 20 0 CDADMM COc1ccc(CN2CC[C@@](O)(C(=O)[O-])C2)cc1Cl ZINC000901902135 618353593 /nfs/dbraw/zinc/35/35/93/618353593.db2.gz MMOJDSGUNURAKJ-ZDUSSCGKSA-N -1 1 285.727 1.370 20 0 CDADMM COCc1nc(NCCC[C@@H]2CCOC2)cc(=O)[n-]1 ZINC000894109317 618440018 /nfs/dbraw/zinc/44/00/18/618440018.db2.gz 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1 297.336 1.174 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2cc(C(F)(F)F)ncn2)[n-]1 ZINC001170232288 1162308764 /nfs/dbraw/zinc/30/87/64/1162308764.db2.gz HOJCKAPEFDMMIU-UHFFFAOYSA-N -1 1 297.200 1.611 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2cnc(C3CC3)nc2)[n-]1 ZINC001170234697 1162309632 /nfs/dbraw/zinc/30/96/32/1162309632.db2.gz WJWRVZIEIPEAIN-UHFFFAOYSA-N -1 1 269.268 1.470 20 0 CDADMM Cc1ncc(Cl)c(Nc2[n-]c(=O)nc3nc[nH]c32)n1 ZINC001170222851 1162313685 /nfs/dbraw/zinc/31/36/85/1162313685.db2.gz GQYFHQFFGNOUHA-UHFFFAOYSA-N -1 1 277.675 1.554 20 0 CDADMM CS[C@H](C)C[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC000692861175 1159723233 /nfs/dbraw/zinc/72/32/33/1159723233.db2.gz IQYUXICRQGYXRO-ZCFIWIBFSA-N -1 1 298.792 1.904 20 0 CDADMM CCCCC(=O)COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001604157146 1163110223 /nfs/dbraw/zinc/11/02/23/1163110223.db2.gz WESSJGXSKOJCNL-UHFFFAOYSA-N -1 1 289.295 1.178 20 0 CDADMM CCCCC(=O)COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001604157146 1163110226 /nfs/dbraw/zinc/11/02/26/1163110226.db2.gz 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/nfs/dbraw/zinc/51/76/47/1161517647.db2.gz PENOECZLCOGWSW-UHFFFAOYSA-N -1 1 296.246 1.253 20 0 CDADMM C[C@@]1(C(=O)[O-])CCCN(Cc2cn(C3CC3)cn2)C1 ZINC001604496866 1163208161 /nfs/dbraw/zinc/20/81/61/1163208161.db2.gz UQXQZWOPUNIVJA-CQSZACIVSA-N -1 1 263.341 1.905 20 0 CDADMM CCc1cccnc1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001604536864 1163223968 /nfs/dbraw/zinc/22/39/68/1163223968.db2.gz UCRFCZYUHNTKJK-UHFFFAOYSA-N -1 1 295.306 1.471 20 0 CDADMM CCc1cccnc1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001604536864 1163223972 /nfs/dbraw/zinc/22/39/72/1163223972.db2.gz UCRFCZYUHNTKJK-UHFFFAOYSA-N -1 1 295.306 1.471 20 0 CDADMM CC1(C)CN(CN2CCC[C@](C)(C(=O)[O-])C2)C(=O)O1 ZINC001604544789 1163224921 /nfs/dbraw/zinc/22/49/21/1163224921.db2.gz DNNVHDIMLHIBLH-ZDUSSCGKSA-N -1 1 270.329 1.361 20 0 CDADMM CCn1ccnc1[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001604612144 1163248140 /nfs/dbraw/zinc/24/81/40/1163248140.db2.gz BWNMSHJMIVTEDF-MRVPVSSYSA-N -1 1 285.315 1.046 20 0 CDADMM CCn1ccnc1[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001604612144 1163248145 /nfs/dbraw/zinc/24/81/45/1163248145.db2.gz BWNMSHJMIVTEDF-MRVPVSSYSA-N -1 1 285.315 1.046 20 0 CDADMM Cc1[nH]n(Cc2ccc(F)c(F)c2)c(=O)c1CC(=O)[O-] ZINC001604616486 1163251366 /nfs/dbraw/zinc/25/13/66/1163251366.db2.gz WFGMMUWNRMDNOQ-SECBINFHSA-N -1 1 282.246 1.774 20 0 CDADMM CON(CC(C)(C)C)c1cncc(-c2nnn[n-]2)n1 ZINC001605142252 1163465913 /nfs/dbraw/zinc/46/59/13/1163465913.db2.gz KLILWXCEMMFNTK-UHFFFAOYSA-N -1 1 263.305 1.071 20 0 CDADMM CCC[C@@H]1CNCCN1C(=O)Nc1ccccc1C(=O)[O-] ZINC001605230653 1163495503 /nfs/dbraw/zinc/49/55/03/1163495503.db2.gz ZHQVYCZLTJAZHT-LLVKDONJSA-N -1 1 291.351 1.991 20 0 CDADMM C[C@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccco1 ZINC001605442727 1163564572 /nfs/dbraw/zinc/56/45/72/1163564572.db2.gz NXVSJKKONNTEBQ-QMMMGPOBSA-N -1 1 285.263 1.773 20 0 CDADMM C[C@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccco1 ZINC001605442727 1163564574 /nfs/dbraw/zinc/56/45/74/1163564574.db2.gz NXVSJKKONNTEBQ-QMMMGPOBSA-N -1 1 285.263 1.773 20 0 CDADMM C[C@H](OC(=O)c1coc(-c2nnn[n-]2)c1)C1CCC1 ZINC001605442548 1163565756 /nfs/dbraw/zinc/56/57/56/1163565756.db2.gz AOBFVIIFBMNTTI-ZETCQYMHSA-N -1 1 262.269 1.805 20 0 CDADMM C[C@H](OC(=O)c1coc(-c2nn[n-]n2)c1)C1CCC1 ZINC001605442548 1163565759 /nfs/dbraw/zinc/56/57/59/1163565759.db2.gz AOBFVIIFBMNTTI-ZETCQYMHSA-N -1 1 262.269 1.805 20 0 CDADMM CCN1C[C@@H](C)N(C(=O)CCCC(=O)[O-])C[C@H]1C ZINC001605466650 1163573955 /nfs/dbraw/zinc/57/39/55/1163573955.db2.gz YDNUSNMPVPKJBS-GHMZBOCLSA-N -1 1 256.346 1.182 20 0 CDADMM CCN1C[C@H](C)N(C(=O)CCCC(=O)[O-])C[C@@H]1C ZINC001605466652 1163574141 /nfs/dbraw/zinc/57/41/41/1163574141.db2.gz YDNUSNMPVPKJBS-QWRGUYRKSA-N -1 1 256.346 1.182 20 0 CDADMM CCNC(=O)[C@H](C)N[C@@H](C)c1ccccc1OCC(=O)[O-] ZINC001605487664 1163583932 /nfs/dbraw/zinc/58/39/32/1163583932.db2.gz ZFYDQYSSGAAWIG-QWRGUYRKSA-N -1 1 294.351 1.325 20 0 CDADMM CCNCc1cn(Cc2cccc(C(=O)[O-])c2Cl)nn1 ZINC001605499029 1163586876 /nfs/dbraw/zinc/58/68/76/1163586876.db2.gz OFTAIOYIKNWIDP-UHFFFAOYSA-N 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Cc1nnc(CNc2cccc(-c3nn[n-]n3)n2)n1C1CC1 ZINC001606120244 1163777232 /nfs/dbraw/zinc/77/72/32/1163777232.db2.gz IPBBNMAXBBDNDB-UHFFFAOYSA-N -1 1 297.326 1.109 20 0 CDADMM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc(-c2nnn[n-]2)n1 ZINC001606662100 1163952123 /nfs/dbraw/zinc/95/21/23/1163952123.db2.gz HBTYLPLBVQMCRQ-OPRDCNLKSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc(-c2nn[n-]n2)n1 ZINC001606662100 1163952128 /nfs/dbraw/zinc/95/21/28/1163952128.db2.gz HBTYLPLBVQMCRQ-OPRDCNLKSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccnc(-c2nnn[n-]2)c1 ZINC001606671073 1163955291 /nfs/dbraw/zinc/95/52/91/1163955291.db2.gz REIIYGGXWRWHRW-MIMYLULJSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccnc(-c2nn[n-]n2)c1 ZINC001606671073 1163955301 /nfs/dbraw/zinc/95/53/01/1163955301.db2.gz REIIYGGXWRWHRW-MIMYLULJSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(NC[C@]12C[C@H]1CCC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001606803793 1163997482 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CO[C@@H]1COC[C@@H]1NCc1ccc(C(=O)[O-])c(F)c1 ZINC001606999737 1164058181 /nfs/dbraw/zinc/05/81/81/1164058181.db2.gz GRDGKFDQKHISSG-NWDGAFQWSA-N -1 1 269.272 1.027 20 0 CDADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC(F)(F)C1 ZINC001607032055 1164064695 /nfs/dbraw/zinc/06/46/95/1164064695.db2.gz PPZBBSUTEDUXPD-UHFFFAOYSA-N -1 1 285.279 1.409 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1ncccc1Cl ZINC001607090683 1164076131 /nfs/dbraw/zinc/07/61/31/1164076131.db2.gz UVZZQMILIMAIGI-UHFFFAOYSA-N -1 1 288.698 1.125 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1CC[C@H](O)c1ccccc1 ZINC001607091166 1164076608 /nfs/dbraw/zinc/07/66/08/1164076608.db2.gz KLVLLMKUJGZQEK-ZDUSSCGKSA-N -1 1 297.318 1.152 20 0 CDADMM c1c(NC[C@H]2CCCO2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001607114202 1164092274 /nfs/dbraw/zinc/09/22/74/1164092274.db2.gz HGPKTSIZOMZCJT-SECBINFHSA-N -1 1 287.327 1.125 20 0 CDADMM c1c(NC[C@H]2CCCO2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001607114202 1164092281 /nfs/dbraw/zinc/09/22/81/1164092281.db2.gz HGPKTSIZOMZCJT-SECBINFHSA-N -1 1 287.327 1.125 20 0 CDADMM c1ccc([C@@H]2C[C@@H]2Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001607129995 1164111358 /nfs/dbraw/zinc/11/13/58/1164111358.db2.gz YZDFLSTZAMBXNR-QWRGUYRKSA-N -1 1 279.307 1.625 20 0 CDADMM c1ccc([C@@H]2C[C@@H]2Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001607129995 1164111362 /nfs/dbraw/zinc/11/13/62/1164111362.db2.gz YZDFLSTZAMBXNR-QWRGUYRKSA-N -1 1 279.307 1.625 20 0 CDADMM c1cc([C@@H]2C[C@H]2Nc2cc(-c3nnn[n-]3)ncn2)cs1 ZINC001607137398 1164116277 /nfs/dbraw/zinc/11/62/77/1164116277.db2.gz SIUWNROADQQCDP-DTWKUNHWSA-N -1 1 285.336 1.686 20 0 CDADMM c1cc([C@@H]2C[C@H]2Nc2cc(-c3nn[n-]n3)ncn2)cs1 ZINC001607137398 1164116280 /nfs/dbraw/zinc/11/62/80/1164116280.db2.gz SIUWNROADQQCDP-DTWKUNHWSA-N -1 1 285.336 1.686 20 0 CDADMM C[C@@H]1CN(Cn2cc3[nH]cccc-3c2=O)C[C@H]1CC(=O)[O-] ZINC001607437835 1164181525 /nfs/dbraw/zinc/18/15/25/1164181525.db2.gz IFIFSMXTNAWWOP-GHMZBOCLSA-N -1 1 289.335 1.038 20 0 CDADMM O=C([O-])c1ccccc1CCC(=O)NCCN1CC=CC1 ZINC001608318228 1164490064 /nfs/dbraw/zinc/49/00/64/1164490064.db2.gz FOBYQJPTIYFRAM-UHFFFAOYSA-N -1 1 288.347 1.305 20 0 CDADMM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc2[nH]nnc21 ZINC001608519519 1164531361 /nfs/dbraw/zinc/53/13/61/1164531361.db2.gz UANROBWITNIKQB-DTWKUNHWSA-N -1 1 288.307 1.787 20 0 CDADMM O=C([O-])[C@H](c1cccnc1)N1CCOC2(CCOCC2)C1 ZINC001608563659 1164547404 /nfs/dbraw/zinc/54/74/04/1164547404.db2.gz ZEEHELVPSBDLRB-ZDUSSCGKSA-N -1 1 292.335 1.089 20 0 CDADMM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)[C@@H]3CCCN3C3CC3)[C@@H]2C1 ZINC001608651242 1164590929 /nfs/dbraw/zinc/59/09/29/1164590929.db2.gz PQVVWYOBOCNGJC-UVHGVLLISA-N -1 1 292.379 1.229 20 0 CDADMM O=C([O-])c1c[nH]c(=O)c(NC(=O)c2ccc3cncn3c2)c1 ZINC001608831088 1164653910 /nfs/dbraw/zinc/65/39/10/1164653910.db2.gz BBCMEPTVLKNJMW-UHFFFAOYSA-N -1 1 298.258 1.385 20 0 CDADMM O=C([O-])c1cnc(CCNCc2nc(CO)cs2)s1 ZINC001608971057 1164698096 /nfs/dbraw/zinc/69/80/96/1164698096.db2.gz SOMSZIQXCXZKHI-UHFFFAOYSA-N -1 1 299.377 1.122 20 0 CDADMM O=C([O-])c1cnc(NCc2c[nH]nn2)c(C(F)(F)F)c1 ZINC001608977782 1164702318 /nfs/dbraw/zinc/70/23/18/1164702318.db2.gz AUXUYEHATSYSLP-UHFFFAOYSA-N -1 1 287.201 1.529 20 0 CDADMM O=C([O-])c1cncc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1 ZINC001608980984 1164704490 /nfs/dbraw/zinc/70/44/90/1164704490.db2.gz YDYZGYYGXZECPF-QWHCGFSZSA-N -1 1 290.319 1.322 20 0 CDADMM C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)C1CCC1 ZINC001609122417 1164780235 /nfs/dbraw/zinc/78/02/35/1164780235.db2.gz VNBBSNHKVSVLAA-QMMMGPOBSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)C1CCC1 ZINC001609122417 1164780240 /nfs/dbraw/zinc/78/02/40/1164780240.db2.gz VNBBSNHKVSVLAA-QMMMGPOBSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(F)F ZINC001609132312 1164786705 /nfs/dbraw/zinc/78/67/05/1164786705.db2.gz QVGYPLULASWUEH-BYPYZUCNSA-N -1 1 274.252 1.739 20 0 CDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(F)F ZINC001609132312 1164786709 /nfs/dbraw/zinc/78/67/09/1164786709.db2.gz QVGYPLULASWUEH-BYPYZUCNSA-N -1 1 274.252 1.739 20 0 CDADMM C[C@]1(c2ccccc2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001609151791 1164799974 /nfs/dbraw/zinc/79/99/74/1164799974.db2.gz PRPFUNQVRXBZPY-IUODEOHRSA-N -1 1 293.334 1.799 20 0 CDADMM C[C@]1(c2ccccc2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001609151791 1164799982 /nfs/dbraw/zinc/79/99/82/1164799982.db2.gz PRPFUNQVRXBZPY-IUODEOHRSA-N -1 1 293.334 1.799 20 0 CDADMM CC[C@@H]1CN(c2cc(C)nc(-c3nnn[n-]3)c2)C[C@@H](C)O1 ZINC001609202545 1164842595 /nfs/dbraw/zinc/84/25/95/1164842595.db2.gz KFQJNVNYSLFRHD-ZYHUDNBSSA-N -1 1 288.355 1.574 20 0 CDADMM CC[C@@H]1CN(c2cc(C)nc(-c3nn[n-]n3)c2)C[C@@H](C)O1 ZINC001609202545 1164842596 /nfs/dbraw/zinc/84/25/96/1164842596.db2.gz KFQJNVNYSLFRHD-ZYHUDNBSSA-N -1 1 288.355 1.574 20 0 CDADMM COCC1(CNc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001609319178 1164898035 /nfs/dbraw/zinc/89/80/35/1164898035.db2.gz IXEXPGINYLJRGW-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM COCC1(CNc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001609319178 1164898042 /nfs/dbraw/zinc/89/80/42/1164898042.db2.gz IXEXPGINYLJRGW-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM Cc1cc(NCC[C@H](C)CCO)cc(-c2nnn[n-]2)n1 ZINC001609409341 1164933967 /nfs/dbraw/zinc/93/39/67/1164933967.db2.gz HXNPDVZIQCEYMY-VIFPVBQESA-N -1 1 276.344 1.391 20 0 CDADMM Cc1cc(NCC[C@H](C)CCO)cc(-c2nn[n-]n2)n1 ZINC001609409341 1164933974 /nfs/dbraw/zinc/93/39/74/1164933974.db2.gz HXNPDVZIQCEYMY-VIFPVBQESA-N -1 1 276.344 1.391 20 0 CDADMM Cc1cc(NC2CCCCC2)cc(-c2nnn[n-]2)n1 ZINC001609409023 1164934593 /nfs/dbraw/zinc/93/45/93/1164934593.db2.gz UGEZNKWSGSSFQQ-UHFFFAOYSA-N -1 1 258.329 1.737 20 0 CDADMM Cc1cc(NC2CCCCC2)cc(-c2nn[n-]n2)n1 ZINC001609409023 1164934601 /nfs/dbraw/zinc/93/46/01/1164934601.db2.gz UGEZNKWSGSSFQQ-UHFFFAOYSA-N -1 1 258.329 1.737 20 0 CDADMM Cc1cc(N[C@H](C)CCCCO)cc(-c2nnn[n-]2)n1 ZINC001609408576 1164934788 /nfs/dbraw/zinc/93/47/88/1164934788.db2.gz CNFQUYCVYYIMIE-SECBINFHSA-N -1 1 276.344 1.533 20 0 CDADMM Cc1cc(N[C@H](C)CCCCO)cc(-c2nn[n-]n2)n1 ZINC001609408576 1164934792 /nfs/dbraw/zinc/93/47/92/1164934792.db2.gz CNFQUYCVYYIMIE-SECBINFHSA-N -1 1 276.344 1.533 20 0 CDADMM Cc1noc(C)c1[C@H](C)Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001609408848 1164935655 /nfs/dbraw/zinc/93/56/55/1164935655.db2.gz NOINIAPDDOZEMW-QMMMGPOBSA-N -1 1 299.338 1.770 20 0 CDADMM Cc1noc(C)c1[C@H](C)Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001609408848 1164935660 /nfs/dbraw/zinc/93/56/60/1164935660.db2.gz NOINIAPDDOZEMW-QMMMGPOBSA-N -1 1 299.338 1.770 20 0 CDADMM Cc1ccn(CC2CCCC2)c(=O)c1-c1nn[n-]n1 ZINC001609437746 1164945037 /nfs/dbraw/zinc/94/50/37/1164945037.db2.gz XQHNTDGFCKJDHO-UHFFFAOYSA-N -1 1 259.313 1.527 20 0 CDADMM Cc1ncccc1CNc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001609456849 1164959664 /nfs/dbraw/zinc/95/96/64/1164959664.db2.gz JNRSQQWUEMYJGA-UHFFFAOYSA-N -1 1 296.338 1.783 20 0 CDADMM Cc1ncccc1CNc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001609456849 1164959668 /nfs/dbraw/zinc/95/96/68/1164959668.db2.gz JNRSQQWUEMYJGA-UHFFFAOYSA-N -1 1 296.338 1.783 20 0 CDADMM Fc1cc2cccnc2c(Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC001609489529 1164974571 /nfs/dbraw/zinc/97/45/71/1164974571.db2.gz MEOBUPGAPROJFA-UHFFFAOYSA-N -1 1 296.269 1.194 20 0 CDADMM C/C(=C\CN[C@@H](C)c1nnc2ccccn21)C(=O)[O-] ZINC001609503611 1164977598 /nfs/dbraw/zinc/97/75/98/1164977598.db2.gz UHFPPGSFOTWSPI-ZKXNXJMVSA-N -1 1 260.297 1.411 20 0 CDADMM O=C(NCCNc1ccccc1)c1ccc(-c2nnn[n-]2)o1 ZINC001609548928 1164986919 /nfs/dbraw/zinc/98/69/19/1164986919.db2.gz FNBZURXTTIUTQR-UHFFFAOYSA-N -1 1 298.306 1.302 20 0 CDADMM O=C(NCCNc1ccccc1)c1ccc(-c2nn[n-]n2)o1 ZINC001609548928 1164986930 /nfs/dbraw/zinc/98/69/30/1164986930.db2.gz FNBZURXTTIUTQR-UHFFFAOYSA-N -1 1 298.306 1.302 20 0 CDADMM O[C@H]1CCC[C@H](CNc2cccnc2-c2nnn[n-]2)C1 ZINC001609607586 1165000165 /nfs/dbraw/zinc/00/01/65/1165000165.db2.gz HTLRYIQBBJAWND-UWVGGRQHSA-N -1 1 274.328 1.225 20 0 CDADMM O[C@H]1CCC[C@H](CNc2cccnc2-c2nn[n-]n2)C1 ZINC001609607586 1165000170 /nfs/dbraw/zinc/00/01/70/1165000170.db2.gz HTLRYIQBBJAWND-UWVGGRQHSA-N -1 1 274.328 1.225 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@H]2CCO[C@H](C3CC3)C2)c1 ZINC001609619035 1165014729 /nfs/dbraw/zinc/01/47/29/1165014729.db2.gz FQYMVHXRMFYMAN-JQWIXIFHSA-N -1 1 286.339 1.631 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@H]2CCO[C@H](C3CC3)C2)c1 ZINC001609619035 1165014732 /nfs/dbraw/zinc/01/47/32/1165014732.db2.gz FQYMVHXRMFYMAN-JQWIXIFHSA-N -1 1 286.339 1.631 20 0 CDADMM c1ccc2c(c1)OC[C@@H]2CNc1nccnc1-c1nnn[n-]1 ZINC001609618417 1165015000 /nfs/dbraw/zinc/01/50/00/1165015000.db2.gz FVDRWFNGEOIZTF-VIFPVBQESA-N -1 1 295.306 1.245 20 0 CDADMM c1ccc2c(c1)OC[C@@H]2CNc1nccnc1-c1nn[n-]n1 ZINC001609618417 1165015007 /nfs/dbraw/zinc/01/50/07/1165015007.db2.gz FVDRWFNGEOIZTF-VIFPVBQESA-N -1 1 295.306 1.245 20 0 CDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CC2CC(C)(C)C2)CC1 ZINC001609735118 1165060768 /nfs/dbraw/zinc/06/07/68/1165060768.db2.gz XVSYJDWUBGOUDQ-LBPRGKRZSA-N -1 1 296.411 1.820 20 0 CDADMM C[C@H](c1ccc(C(=O)[O-])o1)N1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC001609808596 1165089615 /nfs/dbraw/zinc/08/96/15/1165089615.db2.gz IGWJPACJRHHHBI-BSTOTGJRSA-N -1 1 292.335 1.625 20 0 CDADMM C[C@H](NCCC(=O)NCC(=O)[O-])c1ccc(F)cc1F ZINC001610395183 1165305955 /nfs/dbraw/zinc/30/59/55/1165305955.db2.gz NVLCRCMORCHWTF-QMMMGPOBSA-N -1 1 286.278 1.206 20 0 CDADMM Cc1cc(C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)cs1 ZINC001610434490 1165314630 /nfs/dbraw/zinc/31/46/30/1165314630.db2.gz GODKPUGVACYINN-NSHDSACASA-N -1 1 282.365 1.145 20 0 CDADMM Cc1cccc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c1 ZINC001610518463 1165336482 /nfs/dbraw/zinc/33/64/82/1165336482.db2.gz FSHFDJRKHHEVBG-CYBMUJFWSA-N -1 1 290.363 1.616 20 0 CDADMM Cc1cncc(CN2CC[N@H+](CCC(=O)[O-])C[C@@H]2C)c1 ZINC001610540746 1165348275 /nfs/dbraw/zinc/34/82/75/1165348275.db2.gz MTHBLMUZKRVLEN-ZDUSSCGKSA-N -1 1 277.368 1.371 20 0 CDADMM O=C([O-])c1cc(F)ccc1CN1CC[C@H](n2cncn2)C1 ZINC001610813388 1165451346 /nfs/dbraw/zinc/45/13/46/1165451346.db2.gz VVLHLYJEQUCJAQ-LBPRGKRZSA-N -1 1 290.298 1.562 20 0 CDADMM O=C([O-])c1coc(CN[C@@H](c2nnc[nH]2)c2ccccc2)c1 ZINC001610867689 1165468218 /nfs/dbraw/zinc/46/82/18/1165468218.db2.gz OCCNBAUTNOFXLR-CYBMUJFWSA-N -1 1 298.302 1.975 20 0 CDADMM C[C@H]1C(=O)CC[C@H](C(=O)Nc2c[n-][nH]c2=O)C1(C)C ZINC001611379363 1165491594 /nfs/dbraw/zinc/49/15/94/1165491594.db2.gz FQFOVYWANNFLMS-JGVFFNPUSA-N -1 1 265.313 1.695 20 0 CDADMM C[C@H](NC(=O)c1ccc([O-])cn1)c1cccc(O)c1 ZINC001635357899 1166581388 /nfs/dbraw/zinc/58/13/88/1166581388.db2.gz IXKGHWGLBHEMTM-VIFPVBQESA-N -1 1 258.277 1.984 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2ccc3oc(CO)cc3c2)c1[O-] ZINC001636551045 1166681557 /nfs/dbraw/zinc/68/15/57/1166681557.db2.gz KBQJFUJYRNTYGN-UHFFFAOYSA-N -1 1 287.275 1.915 20 0 CDADMM O=C(N[C@H](CCO)c1ccco1)c1cccc([O-])c1F ZINC001412048168 1166723473 /nfs/dbraw/zinc/72/34/73/1166723473.db2.gz DOEHEBZDDGPHTD-SNVBAGLBSA-N -1 1 279.267 1.978 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(Cn2cncn2)cc1 ZINC001637951800 1166806188 /nfs/dbraw/zinc/80/61/88/1166806188.db2.gz DBXMJVVJBLYHDK-UHFFFAOYSA-N -1 1 298.306 1.316 20 0 CDADMM C[C@H]1CCC[C@@H](OCC(=O)Nc2c[n-][nH]c2=O)C1 ZINC001638735673 1166867285 /nfs/dbraw/zinc/86/72/85/1166867285.db2.gz SXJPZLGCIVQZCM-DTWKUNHWSA-N -1 1 253.302 1.649 20 0 CDADMM Cc1c[nH+]ccc1NS(=O)(=O)c1ccc(N)cc1 ZINC000111043126 1166985841 /nfs/dbraw/zinc/98/58/41/1166985841.db2.gz WBUOIMVRCCSUEU-UHFFFAOYSA-N -1 1 263.322 1.773 20 0 CDADMM C[C@H](Cc1ccccn1)NC(=O)c1ccc([O-])cn1 ZINC001640195584 1167003188 /nfs/dbraw/zinc/00/31/88/1167003188.db2.gz NYSPSRPKHCXLIR-SNVBAGLBSA-N -1 1 257.293 1.543 20 0 CDADMM Cn1cnc(CNC(=O)c2ccc(Cl)cc2[O-])c1 ZINC001640416330 1167022462 /nfs/dbraw/zinc/02/24/62/1167022462.db2.gz SFUWDRNNDRKXBY-UHFFFAOYSA-N -1 1 265.700 1.709 20 0 CDADMM Cc1c(NC(=O)c2nc3ccc(Cl)nc3[n-]2)ncn1C ZINC001155176878 1167104648 /nfs/dbraw/zinc/10/46/48/1167104648.db2.gz JSDMIFGXDMIZHG-UHFFFAOYSA-N -1 1 290.714 1.906 20 0 CDADMM C[C@@H](C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)n1cccc1 ZINC001645805624 1167513778 /nfs/dbraw/zinc/51/37/78/1167513778.db2.gz IKNGRKGQNMGLHA-QWRGUYRKSA-N -1 1 290.323 1.544 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1COc2ccc(F)cc2C1 ZINC001645988608 1167599766 /nfs/dbraw/zinc/59/97/66/1167599766.db2.gz RAIARWYFIZQDMA-VIFPVBQESA-N -1 1 291.282 1.753 20 0 CDADMM CCOC[C@H](NCc1c(Cl)nc(Cl)n1C)C(=O)[O-] ZINC001646232493 1167713240 /nfs/dbraw/zinc/71/32/40/1167713240.db2.gz DSJSDVIELAVYAM-LURJTMIESA-N -1 1 296.154 1.306 20 0 CDADMM O=C(NCc1cccc(F)c1F)c1ncccc1[O-] ZINC001648117832 1169097104 /nfs/dbraw/zinc/09/71/04/1169097104.db2.gz NYNIZPPHFVSRRW-UHFFFAOYSA-N -1 1 264.231 1.995 20 0 CDADMM Cc1ccn(C)c1C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001649764994 1169346409 /nfs/dbraw/zinc/34/64/09/1169346409.db2.gz PRBAOODPCNGFMJ-UHFFFAOYSA-N -1 1 289.287 1.784 20 0 CDADMM CCC(CC)(NC(=O)c1c[nH]c2ncccc12)c1nn[n-]n1 ZINC001568663891 1169420601 /nfs/dbraw/zinc/42/06/01/1169420601.db2.gz FHIZMAABJRTSCE-UHFFFAOYSA-N -1 1 299.338 1.521 20 0 CDADMM COCc1ccc(CNCc2cn(C)nc2C(=O)[O-])cc1 ZINC001650009519 1169599830 /nfs/dbraw/zinc/59/98/30/1169599830.db2.gz BNGNIJWZTDOGOB-UHFFFAOYSA-N -1 1 289.335 1.555 20 0 CDADMM C[C@@H](C1CC1)N(C(=O)CN[C@@H](CC1CC1)C(=O)[O-])C1CC1 ZINC001573534947 1170685185 /nfs/dbraw/zinc/68/51/85/1170685185.db2.gz GKPQQKQYDYNWNR-HZMBPMFUSA-N -1 1 294.395 1.619 20 0 CDADMM CN(CC(=O)[O-])C(=O)C[N@H+]1CCC[C@]1(C)c1ccccc1 ZINC001573864700 1170810382 /nfs/dbraw/zinc/81/03/82/1170810382.db2.gz LHULHQIVCJGJFU-MRXNPFEDSA-N -1 1 290.363 1.541 20 0 CDADMM CC(C)[C@@H]1C[C@H]1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001574393221 1170966405 /nfs/dbraw/zinc/96/64/05/1170966405.db2.gz BEHBKIRAPMVQLZ-GXSJLCMTSA-N -1 1 289.314 1.780 20 0 CDADMM CC(C)[C@@H]1C[C@H]1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001574393221 1170966408 /nfs/dbraw/zinc/96/64/08/1170966408.db2.gz BEHBKIRAPMVQLZ-GXSJLCMTSA-N -1 1 289.314 1.780 20 0 CDADMM O=C(Cc1ccccc1Cl)Nc1c[n-][nH]c1=O ZINC001654600128 1171622666 /nfs/dbraw/zinc/62/26/66/1171622666.db2.gz QGGTXVBTGGRMHU-UHFFFAOYSA-N -1 1 251.673 1.950 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1ccc2nsnc2c1 ZINC001654603337 1171624649 /nfs/dbraw/zinc/62/46/49/1171624649.db2.gz JZBXXJVVFPMTKK-UHFFFAOYSA-N -1 1 261.266 1.372 20 0 CDADMM COCc1cccc(CC(=O)Nc2c[n-][nH]c2=O)c1 ZINC001654603526 1171625167 /nfs/dbraw/zinc/62/51/67/1171625167.db2.gz RRNFBMCTCFBKQX-UHFFFAOYSA-N -1 1 261.281 1.443 20 0 CDADMM CC[C@@H]1OCC[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001578444189 1171913454 /nfs/dbraw/zinc/91/34/54/1171913454.db2.gz LTOBSWDOVKYUOH-BDAKNGLRSA-N -1 1 294.746 1.895 20 0 CDADMM CC[C@@H]1OCC[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001578444189 1171913461 /nfs/dbraw/zinc/91/34/61/1171913461.db2.gz LTOBSWDOVKYUOH-BDAKNGLRSA-N -1 1 294.746 1.895 20 0 CDADMM O=C(NCc1ccccc1)c1coc(-c2nnn[n-]2)c1 ZINC001582554846 1172682081 /nfs/dbraw/zinc/68/20/81/1172682081.db2.gz OOFLOWZCQPBXJY-UHFFFAOYSA-N -1 1 269.264 1.390 20 0 CDADMM O=C(NCc1ccccc1)c1coc(-c2nn[n-]n2)c1 ZINC001582554846 1172682086 /nfs/dbraw/zinc/68/20/86/1172682086.db2.gz OOFLOWZCQPBXJY-UHFFFAOYSA-N -1 1 269.264 1.390 20 0 CDADMM O=C(Nc1c[nH]nc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC001582632596 1172685160 /nfs/dbraw/zinc/68/51/60/1172685160.db2.gz QBUGUIKMMNATGP-UHFFFAOYSA-N -1 1 295.715 1.557 20 0 CDADMM O=C(Nc1c[nH]nc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC001582632596 1172685163 /nfs/dbraw/zinc/68/51/63/1172685163.db2.gz QBUGUIKMMNATGP-UHFFFAOYSA-N -1 1 295.715 1.557 20 0 CDADMM c1cc2c(c(Oc3cc(-c4nnn[n-]4)ncn3)c1)OCCC2 ZINC001582817356 1172697021 /nfs/dbraw/zinc/69/70/21/1172697021.db2.gz DSPVYNYMOHHVBV-UHFFFAOYSA-N -1 1 296.290 1.774 20 0 CDADMM c1cc2c(c(Oc3cc(-c4nn[n-]n4)ncn3)c1)OCCC2 ZINC001582817356 1172697026 /nfs/dbraw/zinc/69/70/26/1172697026.db2.gz DSPVYNYMOHHVBV-UHFFFAOYSA-N -1 1 296.290 1.774 20 0 CDADMM O=C(NCc1nn[n-]n1)c1[nH]ccc1-c1ccccc1 ZINC001584968598 1172869382 /nfs/dbraw/zinc/86/93/82/1172869382.db2.gz WKCPKHVXGAFSDN-UHFFFAOYSA-N -1 1 268.280 1.125 20 0 CDADMM COc1cc(C(=O)N(C)c2nn[n-]n2)c2ccccc2n1 ZINC001587340022 1172981276 /nfs/dbraw/zinc/98/12/76/1172981276.db2.gz XQVJXKJAERIYSC-UHFFFAOYSA-N -1 1 284.279 1.033 20 0 CDADMM O=C(c1ncc2ccccc2c1[O-])N1CC(n2ccnn2)C1 ZINC001588384648 1173056670 /nfs/dbraw/zinc/05/66/70/1173056670.db2.gz BBOYBSDQWISDDQ-UHFFFAOYSA-N -1 1 295.302 1.229 20 0 CDADMM CC(C)(C)CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589131043 1173125839 /nfs/dbraw/zinc/12/58/39/1173125839.db2.gz UMKDUNFRYCSYFG-UHFFFAOYSA-N -1 1 275.316 1.429 20 0 CDADMM CC(C)(C)CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589131043 1173125845 /nfs/dbraw/zinc/12/58/45/1173125845.db2.gz UMKDUNFRYCSYFG-UHFFFAOYSA-N -1 1 275.316 1.429 20 0 CDADMM CC(C)[C@@H]1C[C@@H]1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589502139 1173151667 /nfs/dbraw/zinc/15/16/67/1173151667.db2.gz NMLCTZQGNHERBO-MNOVXSKESA-N -1 1 287.323 1.711 20 0 CDADMM CC(C)[C@@H]1C[C@@H]1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589502139 1173151671 /nfs/dbraw/zinc/15/16/71/1173151671.db2.gz NMLCTZQGNHERBO-MNOVXSKESA-N -1 1 287.323 1.711 20 0 CDADMM CC(C)OCCCN(C)c1cccnc1-c1nnn[n-]1 ZINC001589747846 1173174161 /nfs/dbraw/zinc/17/41/61/1173174161.db2.gz GOFXTPYMTGNEKQ-UHFFFAOYSA-N -1 1 276.344 1.513 20 0 CDADMM CC(C)OCCCN(C)c1cccnc1-c1nn[n-]n1 ZINC001589747846 1173174163 /nfs/dbraw/zinc/17/41/63/1173174163.db2.gz GOFXTPYMTGNEKQ-UHFFFAOYSA-N -1 1 276.344 1.513 20 0 CDADMM CC(C)c1c[nH]c(Sc2cc(-c3nnn[n-]3)ncn2)n1 ZINC001589764942 1173177383 /nfs/dbraw/zinc/17/73/83/1173177383.db2.gz HCCHPVDQFIQVOZ-UHFFFAOYSA-N -1 1 288.340 1.654 20 0 CDADMM CC(C)c1c[nH]c(Sc2cc(-c3nn[n-]n3)ncn2)n1 ZINC001589764942 1173177385 /nfs/dbraw/zinc/17/73/85/1173177385.db2.gz HCCHPVDQFIQVOZ-UHFFFAOYSA-N -1 1 288.340 1.654 20 0 CDADMM CC(C)n1cc(C=Cc2nc(-c3nnn[n-]3)cs2)nn1 ZINC001589781867 1173179679 /nfs/dbraw/zinc/17/96/79/1173179679.db2.gz IGJAXKVZEAETDY-ARJAWSKDSA-N -1 1 288.340 1.666 20 0 CDADMM C[C@H](C[C@H]1CCOC1)OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589803029 1173185330 /nfs/dbraw/zinc/18/53/30/1173185330.db2.gz MXEJVXGZAVOMJQ-RKDXNWHRSA-N -1 1 292.295 1.432 20 0 CDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001589878617 1173191754 /nfs/dbraw/zinc/19/17/54/1173191754.db2.gz FLYMIXIODPLTJO-JTQLQIEISA-N -1 1 281.323 1.872 20 0 CDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001589878617 1173191764 /nfs/dbraw/zinc/19/17/64/1173191764.db2.gz FLYMIXIODPLTJO-JTQLQIEISA-N -1 1 281.323 1.872 20 0 CDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)c1ccccn1 ZINC001589879534 1173193425 /nfs/dbraw/zinc/19/34/25/1173193425.db2.gz RRYGWSHAYJURQG-SECBINFHSA-N -1 1 282.311 1.267 20 0 CDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)c1ccccn1 ZINC001589879534 1173193427 /nfs/dbraw/zinc/19/34/27/1173193427.db2.gz RRYGWSHAYJURQG-SECBINFHSA-N -1 1 282.311 1.267 20 0 CDADMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C1CC1 ZINC001590108247 1173259655 /nfs/dbraw/zinc/25/96/55/1173259655.db2.gz MEZMFMMEKOTJMT-LLVKDONJSA-N -1 1 271.328 1.282 20 0 CDADMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C1CC1 ZINC001590108247 1173259659 /nfs/dbraw/zinc/25/96/59/1173259659.db2.gz MEZMFMMEKOTJMT-LLVKDONJSA-N -1 1 271.328 1.282 20 0 CDADMM CC1(C)OCC[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC001590118487 1173262804 /nfs/dbraw/zinc/26/28/04/1173262804.db2.gz LOZYHVLRJNKUNT-VIFPVBQESA-N -1 1 260.301 1.241 20 0 CDADMM CC1(C)OCC[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC001590118487 1173262808 /nfs/dbraw/zinc/26/28/08/1173262808.db2.gz LOZYHVLRJNKUNT-VIFPVBQESA-N -1 1 260.301 1.241 20 0 CDADMM CC1(CSCc2nc(-c3nnn[n-]3)cs2)COC1 ZINC001590138702 1173270970 /nfs/dbraw/zinc/27/09/70/1173270970.db2.gz CYDWCHUGPNFDDH-UHFFFAOYSA-N -1 1 283.382 1.593 20 0 CDADMM CC1(CSCc2nc(-c3nn[n-]n3)cs2)COC1 ZINC001590138702 1173270973 /nfs/dbraw/zinc/27/09/73/1173270973.db2.gz CYDWCHUGPNFDDH-UHFFFAOYSA-N -1 1 283.382 1.593 20 0 CDADMM C[C@@H]1C[C@@H](C(=O)Nc2ncc(-c3nnn[n-]3)s2)[C@@H](C)O1 ZINC001590184554 1173280823 /nfs/dbraw/zinc/28/08/23/1173280823.db2.gz HFDQWGRQVMOREN-FSDSQADBSA-N -1 1 294.340 1.075 20 0 CDADMM C[C@@H]1C[C@@H](C(=O)Nc2ncc(-c3nn[n-]n3)s2)[C@@H](C)O1 ZINC001590184554 1173280829 /nfs/dbraw/zinc/28/08/29/1173280829.db2.gz HFDQWGRQVMOREN-FSDSQADBSA-N -1 1 294.340 1.075 20 0 CDADMM CC1CC(CNC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590195244 1173289369 /nfs/dbraw/zinc/28/93/69/1173289369.db2.gz ZUXUUVYURDRJOA-UHFFFAOYSA-N -1 1 261.285 1.236 20 0 CDADMM CC1CC(CNC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590195244 1173289373 /nfs/dbraw/zinc/28/93/73/1173289373.db2.gz ZUXUUVYURDRJOA-UHFFFAOYSA-N -1 1 261.285 1.236 20 0 CDADMM C[C@@H]1C[C@H]1c1noc(-c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001590219131 1173298150 /nfs/dbraw/zinc/29/81/50/1173298150.db2.gz KZUQMABNOXJCBY-HTRCEHHLSA-N -1 1 269.268 1.435 20 0 CDADMM C[C@@H]1C[C@H]1c1noc(-c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001590219131 1173298158 /nfs/dbraw/zinc/29/81/58/1173298158.db2.gz KZUQMABNOXJCBY-HTRCEHHLSA-N -1 1 269.268 1.435 20 0 CDADMM C[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590222094 1173300255 /nfs/dbraw/zinc/30/02/55/1173300255.db2.gz FSDDUWSJNYZUCD-VHSXEESVSA-N -1 1 286.339 1.661 20 0 CDADMM C[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590222094 1173300264 /nfs/dbraw/zinc/30/02/64/1173300264.db2.gz FSDDUWSJNYZUCD-VHSXEESVSA-N -1 1 286.339 1.661 20 0 CDADMM C[C@H]1CN(c2ccnc(-c3nnn[n-]3)c2)CC2(CCC2)O1 ZINC001590314572 1173350758 /nfs/dbraw/zinc/35/07/58/1173350758.db2.gz JCNQAOMEHIGAPP-JTQLQIEISA-N -1 1 286.339 1.410 20 0 CDADMM C[C@H]1CN(c2ccnc(-c3nn[n-]n3)c2)CC2(CCC2)O1 ZINC001590314572 1173350767 /nfs/dbraw/zinc/35/07/67/1173350767.db2.gz JCNQAOMEHIGAPP-JTQLQIEISA-N -1 1 286.339 1.410 20 0 CDADMM C[C@@H]1COCCN(C(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001590326799 1173359225 /nfs/dbraw/zinc/35/92/25/1173359225.db2.gz UJKWSDGLZWFKJI-QMMMGPOBSA-N -1 1 293.352 1.037 20 0 CDADMM C[C@@H]1COCCN(C(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001590326799 1173359232 /nfs/dbraw/zinc/35/92/32/1173359232.db2.gz UJKWSDGLZWFKJI-QMMMGPOBSA-N -1 1 293.352 1.037 20 0 CDADMM CC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCO1 ZINC001590473551 1173423817 /nfs/dbraw/zinc/42/38/17/1173423817.db2.gz PYJHFVREDYNKAP-SCZZXKLOSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCO1 ZINC001590473551 1173423821 /nfs/dbraw/zinc/42/38/21/1173423821.db2.gz PYJHFVREDYNKAP-SCZZXKLOSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ncc[nH]1 ZINC001590472941 1173423918 /nfs/dbraw/zinc/42/39/18/1173423918.db2.gz IXXUEMCHQYIOHQ-QMMMGPOBSA-N -1 1 270.300 1.548 20 0 CDADMM CC[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ncc[nH]1 ZINC001590472941 1173423921 /nfs/dbraw/zinc/42/39/21/1173423921.db2.gz IXXUEMCHQYIOHQ-QMMMGPOBSA-N -1 1 270.300 1.548 20 0 CDADMM CC[C@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)[C@H]1CCCO1 ZINC001590472342 1173424171 /nfs/dbraw/zinc/42/41/71/1173424171.db2.gz TVIUWZRRUHGCJD-GXSJLCMTSA-N -1 1 289.343 1.335 20 0 CDADMM CC[C@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)[C@H]1CCCO1 ZINC001590472342 1173424179 /nfs/dbraw/zinc/42/41/79/1173424179.db2.gz TVIUWZRRUHGCJD-GXSJLCMTSA-N -1 1 289.343 1.335 20 0 CDADMM CC[C@@H](Nc1cccnc1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC001590473239 1173424518 /nfs/dbraw/zinc/42/45/18/1173424518.db2.gz MRCMPGYONVYEIK-GHMZBOCLSA-N -1 1 288.355 1.879 20 0 CDADMM CC[C@@H](Nc1cccnc1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC001590473239 1173424523 /nfs/dbraw/zinc/42/45/23/1173424523.db2.gz MRCMPGYONVYEIK-GHMZBOCLSA-N -1 1 288.355 1.879 20 0 CDADMM CC[C@H]1[C@@H](C)CCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590502474 1173437202 /nfs/dbraw/zinc/43/72/02/1173437202.db2.gz PZYVBENZSOFTOT-CABZTGNLSA-N -1 1 286.339 1.522 20 0 CDADMM CC[C@H]1[C@@H](C)CCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590502474 1173437208 /nfs/dbraw/zinc/43/72/08/1173437208.db2.gz PZYVBENZSOFTOT-CABZTGNLSA-N -1 1 286.339 1.522 20 0 CDADMM CC[C@H]1C[C@H](Nc2cc(C)cc(-c3nnn[n-]3)n2)CCO1 ZINC001590504821 1173440554 /nfs/dbraw/zinc/44/05/54/1173440554.db2.gz MJLKNDKRBBGQQI-MNOVXSKESA-N -1 1 288.355 1.940 20 0 CDADMM CC[C@H]1C[C@H](Nc2cc(C)cc(-c3nn[n-]n3)n2)CCO1 ZINC001590504821 1173440563 /nfs/dbraw/zinc/44/05/63/1173440563.db2.gz MJLKNDKRBBGQQI-MNOVXSKESA-N -1 1 288.355 1.940 20 0 CDADMM CC[C@H]1C[C@@H](OC(=O)c2coc(-c3nnn[n-]3)c2)CCO1 ZINC001590503826 1173440794 /nfs/dbraw/zinc/44/07/94/1173440794.db2.gz BUNXRUQYVQYGCD-UWVGGRQHSA-N -1 1 292.295 1.574 20 0 CDADMM CC[C@H]1C[C@@H](OC(=O)c2coc(-c3nn[n-]n3)c2)CCO1 ZINC001590503826 1173440802 /nfs/dbraw/zinc/44/08/02/1173440802.db2.gz BUNXRUQYVQYGCD-UWVGGRQHSA-N -1 1 292.295 1.574 20 0 CDADMM CC[C@H]1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001590506813 1173441123 /nfs/dbraw/zinc/44/11/23/1173441123.db2.gz HRGBTKMDEIJDBY-VHSXEESVSA-N -1 1 273.344 1.895 20 0 CDADMM CC[C@H]1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001590506813 1173441131 /nfs/dbraw/zinc/44/11/31/1173441131.db2.gz HRGBTKMDEIJDBY-VHSXEESVSA-N -1 1 273.344 1.895 20 0 CDADMM CC[C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc(C)n2)CC1 ZINC001590513231 1173442086 /nfs/dbraw/zinc/44/20/86/1173442086.db2.gz PDZSOMNNDVIMLO-LLVKDONJSA-N -1 1 287.371 1.982 20 0 CDADMM CC[C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc(C)n2)CC1 ZINC001590513231 1173442091 /nfs/dbraw/zinc/44/20/91/1173442091.db2.gz PDZSOMNNDVIMLO-LLVKDONJSA-N -1 1 287.371 1.982 20 0 CDADMM CC[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(C)n2)[C@@H]1C ZINC001590515098 1173446913 /nfs/dbraw/zinc/44/69/13/1173446913.db2.gz WCZACEQWPRBTTI-SCZZXKLOSA-N -1 1 273.344 1.590 20 0 CDADMM CC[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(C)n2)[C@@H]1C ZINC001590515098 1173446918 /nfs/dbraw/zinc/44/69/18/1173446918.db2.gz WCZACEQWPRBTTI-SCZZXKLOSA-N -1 1 273.344 1.590 20 0 CDADMM CC[C@@H]1CO[C@@H](C)CN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590524747 1173453287 /nfs/dbraw/zinc/45/32/87/1173453287.db2.gz SEPIBZVXQUAFGP-DTWKUNHWSA-N -1 1 291.311 1.099 20 0 CDADMM CC[C@@H]1CO[C@@H](C)CN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590524747 1173453300 /nfs/dbraw/zinc/45/33/00/1173453300.db2.gz SEPIBZVXQUAFGP-DTWKUNHWSA-N -1 1 291.311 1.099 20 0 CDADMM CCCC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001590582820 1173469801 /nfs/dbraw/zinc/46/98/01/1173469801.db2.gz WODCOBBTCBWUBU-NSHDSACASA-N -1 1 287.371 1.849 20 0 CDADMM CCCc1nnc(NCc2nc(-c3nnn[n-]3)cs2)o1 ZINC001590661045 1173484202 /nfs/dbraw/zinc/48/42/02/1173484202.db2.gz USXZQLDLSNNYNU-UHFFFAOYSA-N -1 1 292.328 1.271 20 0 CDADMM CCCc1nnc(NCc2nc(-c3nn[n-]n3)cs2)o1 ZINC001590661045 1173484209 /nfs/dbraw/zinc/48/42/09/1173484209.db2.gz USXZQLDLSNNYNU-UHFFFAOYSA-N -1 1 292.328 1.271 20 0 CDADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)o1)c1ccncc1 ZINC001590674234 1173485818 /nfs/dbraw/zinc/48/58/18/1173485818.db2.gz XGMGKYQETPZHNP-UHFFFAOYSA-N -1 1 284.279 1.521 20 0 CDADMM CCN(C(=O)c1coc(-c2nnn[n-]2)c1)[C@@H]1CCCOC1 ZINC001590676021 1173487132 /nfs/dbraw/zinc/48/71/32/1173487132.db2.gz FYPQSHHVGNSHAG-SNVBAGLBSA-N -1 1 291.311 1.101 20 0 CDADMM CCN(C(=O)c1coc(-c2nn[n-]n2)c1)[C@@H]1CCCOC1 ZINC001590676021 1173487135 /nfs/dbraw/zinc/48/71/35/1173487135.db2.gz FYPQSHHVGNSHAG-SNVBAGLBSA-N -1 1 291.311 1.101 20 0 CDADMM CCN(CCC1CC1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590692022 1173493322 /nfs/dbraw/zinc/49/33/22/1173493322.db2.gz CMTAXHMSUBLCNV-UHFFFAOYSA-N -1 1 286.339 1.524 20 0 CDADMM CCN(CCC1CC1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590692022 1173493328 /nfs/dbraw/zinc/49/33/28/1173493328.db2.gz CMTAXHMSUBLCNV-UHFFFAOYSA-N -1 1 286.339 1.524 20 0 CDADMM CCOCCCOC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001590810425 1173516832 /nfs/dbraw/zinc/51/68/32/1173516832.db2.gz NODJFUCISKJHHH-UHFFFAOYSA-N -1 1 282.325 1.512 20 0 CDADMM CCOCCCOC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590810425 1173516837 /nfs/dbraw/zinc/51/68/37/1173516837.db2.gz NODJFUCISKJHHH-UHFFFAOYSA-N -1 1 282.325 1.512 20 0 CDADMM CCOc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001590836454 1173526091 /nfs/dbraw/zinc/52/60/91/1173526091.db2.gz XQFXJKUTWLHBJX-UHFFFAOYSA-N -1 1 297.322 1.089 20 0 CDADMM CCc1cnc(CNc2cc(C)nc(-c3nnn[n-]3)c2)o1 ZINC001590900416 1173539910 /nfs/dbraw/zinc/53/99/10/1173539910.db2.gz ODHJRHBBTHGKRW-UHFFFAOYSA-N -1 1 285.311 1.733 20 0 CDADMM CCc1cnc(CNc2cc(C)nc(-c3nn[n-]n3)c2)o1 ZINC001590900416 1173539918 /nfs/dbraw/zinc/53/99/18/1173539918.db2.gz ODHJRHBBTHGKRW-UHFFFAOYSA-N -1 1 285.311 1.733 20 0 CDADMM CCc1nc(C)c(CNc2nccnc2-c2nnn[n-]2)o1 ZINC001590911990 1173542408 /nfs/dbraw/zinc/54/24/08/1173542408.db2.gz VUEYQQZGABNUMQ-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CCc1nc(C)c(CNc2nccnc2-c2nn[n-]n2)o1 ZINC001590911990 1173542412 /nfs/dbraw/zinc/54/24/12/1173542412.db2.gz VUEYQQZGABNUMQ-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CCn1cnc2c1CCN(c1cccc(-c3nn[n-]n3)n1)C2 ZINC001590963669 1173552463 /nfs/dbraw/zinc/55/24/63/1173552463.db2.gz HDOUXMWIUIKHFI-UHFFFAOYSA-N -1 1 296.338 1.041 20 0 CDADMM CN(C)C(=O)OCSc1cccc(F)c1-c1nn[n-]n1 ZINC001591004978 1173559339 /nfs/dbraw/zinc/55/93/39/1173559339.db2.gz WWYGZLOQSVMZFT-UHFFFAOYSA-N -1 1 297.315 1.754 20 0 CDADMM CN(C)c1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001591033650 1173562899 /nfs/dbraw/zinc/56/28/99/1173562899.db2.gz WPCXOSNHVMMLLP-UHFFFAOYSA-N -1 1 298.306 1.778 20 0 CDADMM CN(C)c1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001591033650 1173562903 /nfs/dbraw/zinc/56/29/03/1173562903.db2.gz WPCXOSNHVMMLLP-UHFFFAOYSA-N -1 1 298.306 1.778 20 0 CDADMM CN(CCCF)c1snc(Cl)c1-c1nnn[n-]1 ZINC001591066809 1173572642 /nfs/dbraw/zinc/57/26/42/1173572642.db2.gz RTPCMSPWSBKICU-UHFFFAOYSA-N -1 1 276.728 1.772 20 0 CDADMM CN(CCCF)c1snc(Cl)c1-c1nn[n-]n1 ZINC001591066809 1173572645 /nfs/dbraw/zinc/57/26/45/1173572645.db2.gz RTPCMSPWSBKICU-UHFFFAOYSA-N -1 1 276.728 1.772 20 0 CDADMM CN(c1cc(-c2nnn[n-]2)nc(C2CC2)n1)C1CC1 ZINC001591154884 1173586110 /nfs/dbraw/zinc/58/61/10/1173586110.db2.gz PVONXKMQNRBVMB-UHFFFAOYSA-N -1 1 257.301 1.133 20 0 CDADMM CN(c1cc(-c2nn[n-]n2)nc(C2CC2)n1)C1CC1 ZINC001591154884 1173586113 /nfs/dbraw/zinc/58/61/13/1173586113.db2.gz PVONXKMQNRBVMB-UHFFFAOYSA-N -1 1 257.301 1.133 20 0 CDADMM COC(=O)c1ccc(NC2CCCC2)c(-c2nnn[n-]2)n1 ZINC001591295451 1173599453 /nfs/dbraw/zinc/59/94/53/1173599453.db2.gz GQUFXYVLIFMLIS-UHFFFAOYSA-N -1 1 288.311 1.403 20 0 CDADMM COC(=O)c1ccc(NC2CCCC2)c(-c2nn[n-]n2)n1 ZINC001591295451 1173599458 /nfs/dbraw/zinc/59/94/58/1173599458.db2.gz GQUFXYVLIFMLIS-UHFFFAOYSA-N -1 1 288.311 1.403 20 0 CDADMM CO[C@H]1CC[C@H](C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001591347374 1173621172 /nfs/dbraw/zinc/62/11/72/1173621172.db2.gz FNRLVDXDTVZAGW-IUCAKERBSA-N -1 1 288.311 1.015 20 0 CDADMM CO[C@H]1CC[C@H](C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001591347374 1173621175 /nfs/dbraw/zinc/62/11/75/1173621175.db2.gz FNRLVDXDTVZAGW-IUCAKERBSA-N -1 1 288.311 1.015 20 0 CDADMM COCCCCNc1ccc(C)nc1-c1nn[n-]n1 ZINC001591412331 1173647593 /nfs/dbraw/zinc/64/75/93/1173647593.db2.gz KUNHLRMOSJSVJC-UHFFFAOYSA-N -1 1 262.317 1.409 20 0 CDADMM COCCCCNc1ccc(C)nc1-c1nnn[n-]1 ZINC001591412331 1173647584 /nfs/dbraw/zinc/64/75/84/1173647584.db2.gz KUNHLRMOSJSVJC-UHFFFAOYSA-N -1 1 262.317 1.409 20 0 CDADMM COCc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001591458054 1173654433 /nfs/dbraw/zinc/65/44/33/1173654433.db2.gz CRRMIUUISGSDCR-UHFFFAOYSA-N -1 1 299.290 1.858 20 0 CDADMM COc1cccc([C@@H](C)Nc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001591633931 1173676966 /nfs/dbraw/zinc/67/69/66/1173676966.db2.gz UDSOIQSISRHDJA-SECBINFHSA-N -1 1 297.322 1.838 20 0 CDADMM COc1cccc([C@@H](C)Nc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001591633931 1173676976 /nfs/dbraw/zinc/67/69/76/1173676976.db2.gz UDSOIQSISRHDJA-SECBINFHSA-N -1 1 297.322 1.838 20 0 CDADMM COc1cccc2c1CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001591643882 1173677438 /nfs/dbraw/zinc/67/74/38/1173677438.db2.gz VAJANFKEHUXCJW-UHFFFAOYSA-N -1 1 295.306 1.186 20 0 CDADMM COc1cccc2c1CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001591643882 1173677441 /nfs/dbraw/zinc/67/74/41/1173677441.db2.gz VAJANFKEHUXCJW-UHFFFAOYSA-N -1 1 295.306 1.186 20 0 CDADMM C[C@@H](Nc1ncncc1-c1nn[n-]n1)c1ncccc1F ZINC001591731972 1173694588 /nfs/dbraw/zinc/69/45/88/1173694588.db2.gz XYUFEMIYANSMTI-SSDOTTSWSA-N -1 1 286.274 1.364 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](C)[C@@H](C)C2)n1 ZINC001591884945 1173739587 /nfs/dbraw/zinc/73/95/87/1173739587.db2.gz HYHLXVIFVUFSHS-BDAKNGLRSA-N -1 1 273.344 1.447 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](C)[C@@H](C)C2)n1 ZINC001591884945 1173739593 /nfs/dbraw/zinc/73/95/93/1173739593.db2.gz HYHLXVIFVUFSHS-BDAKNGLRSA-N -1 1 273.344 1.447 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(C)CC2)c1 ZINC001591884897 1173740258 /nfs/dbraw/zinc/74/02/58/1173740258.db2.gz FNRKKHRAWOOWID-UHFFFAOYSA-N -1 1 258.329 1.806 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CC=CCC2)n1 ZINC001591892706 1173741955 /nfs/dbraw/zinc/74/19/55/1173741955.db2.gz IQGVQGUFNNAOJJ-SECBINFHSA-N -1 1 257.301 1.486 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CC=CCC2)n1 ZINC001591892706 1173741960 /nfs/dbraw/zinc/74/19/60/1173741960.db2.gz IQGVQGUFNNAOJJ-SECBINFHSA-N -1 1 257.301 1.486 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCS[C@H]2C)n1 ZINC001591893316 1173742919 /nfs/dbraw/zinc/74/29/19/1173742919.db2.gz AQZVUPRKBKQBJK-YUMQZZPRSA-N -1 1 277.357 1.271 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCS[C@H]2C)n1 ZINC001591893316 1173742921 /nfs/dbraw/zinc/74/29/21/1173742921.db2.gz AQZVUPRKBKQBJK-YUMQZZPRSA-N -1 1 277.357 1.271 20 0 CDADMM Cc1cc(N[C@H]2CCOC(C)(C)C2)cc(-c2nnn[n-]2)n1 ZINC001592039668 1173780557 /nfs/dbraw/zinc/78/05/57/1173780557.db2.gz DPAGBFDSMWMWKW-JTQLQIEISA-N -1 1 288.355 1.362 20 0 CDADMM Cc1cc(N[C@H]2CCOC(C)(C)C2)cc(-c2nn[n-]n2)n1 ZINC001592039668 1173780562 /nfs/dbraw/zinc/78/05/62/1173780562.db2.gz DPAGBFDSMWMWKW-JTQLQIEISA-N -1 1 288.355 1.362 20 0 CDADMM Cc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)o2)nc1 ZINC001592167212 1173821517 /nfs/dbraw/zinc/82/15/17/1173821517.db2.gz ASZSQPRWWCVIHA-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1ccc(N[C@H]2CSC2(C)C)c(-c2nnn[n-]2)n1 ZINC001592183454 1173822788 /nfs/dbraw/zinc/82/27/88/1173822788.db2.gz DWFWOACLMXGOLB-VIFPVBQESA-N -1 1 276.369 1.876 20 0 CDADMM Cc1ccc(N[C@H]2CSC2(C)C)c(-c2nn[n-]n2)n1 ZINC001592183454 1173822792 /nfs/dbraw/zinc/82/27/92/1173822792.db2.gz DWFWOACLMXGOLB-VIFPVBQESA-N -1 1 276.369 1.876 20 0 CDADMM Cc1ccc(NC[C@H]2CC[C@@H](O)C2)c(-c2nn[n-]n2)n1 ZINC001592182838 1173825156 /nfs/dbraw/zinc/82/51/56/1173825156.db2.gz BHWUVVAJUROHHF-VHSXEESVSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1ccc(NC[C@H]2CC[C@@H](O)C2)c(-c2nnn[n-]2)n1 ZINC001592182838 1173825149 /nfs/dbraw/zinc/82/51/49/1173825149.db2.gz BHWUVVAJUROHHF-VHSXEESVSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1nc([C@H](C)Nc2ccc(C)nc2-c2nnn[n-]2)no1 ZINC001592184552 1173827835 /nfs/dbraw/zinc/82/78/35/1173827835.db2.gz UJMCYSJLMVDIOL-ZETCQYMHSA-N -1 1 286.299 1.435 20 0 CDADMM Cc1nc([C@H](C)Nc2ccc(C)nc2-c2nn[n-]n2)no1 ZINC001592184552 1173827841 /nfs/dbraw/zinc/82/78/41/1173827841.db2.gz UJMCYSJLMVDIOL-ZETCQYMHSA-N -1 1 286.299 1.435 20 0 CDADMM Cc1ccn(C/C=C/Cl)c(=O)c1-c1nn[n-]n1 ZINC001592266162 1173838070 /nfs/dbraw/zinc/83/80/70/1173838070.db2.gz OMVWAQRHAVTDDI-DUXPYHPUSA-N -1 1 251.677 1.089 20 0 CDADMM Cc1ccn(CN(C(C)C)C2CC2)c(=O)c1-c1nn[n-]n1 ZINC001592266835 1173838421 /nfs/dbraw/zinc/83/84/21/1173838421.db2.gz ZDIHTQGLRKEBNA-UHFFFAOYSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccccc1[C@@H]1C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001592260755 1173838673 /nfs/dbraw/zinc/83/86/73/1173838673.db2.gz LAUNRVUHRZJBEO-NWDGAFQWSA-N -1 1 293.334 1.933 20 0 CDADMM Cc1ccccc1[C@@H]1C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001592260755 1173838676 /nfs/dbraw/zinc/83/86/76/1173838676.db2.gz LAUNRVUHRZJBEO-NWDGAFQWSA-N -1 1 293.334 1.933 20 0 CDADMM Cc1ccncc1COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001592279201 1173843125 /nfs/dbraw/zinc/84/31/25/1173843125.db2.gz OLRJWQVBBJGCLG-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1ccncc1COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001592279201 1173843128 /nfs/dbraw/zinc/84/31/28/1173843128.db2.gz OLRJWQVBBJGCLG-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](C)[C@@H]2C)n1 ZINC001592341372 1173862095 /nfs/dbraw/zinc/86/20/95/1173862095.db2.gz RFVLJNQEOSQUHR-IUCAKERBSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCCCC[C@H]2C)n1 ZINC001592341585 1173862082 /nfs/dbraw/zinc/86/20/82/1173862082.db2.gz XHTUCAGTWQFWJW-SECBINFHSA-N -1 1 273.344 1.734 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCCCC[C@H]2C)n1 ZINC001592341585 1173862086 /nfs/dbraw/zinc/86/20/86/1173862086.db2.gz XHTUCAGTWQFWJW-SECBINFHSA-N -1 1 273.344 1.734 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCSC[C@H]1C ZINC001592500608 1173909218 /nfs/dbraw/zinc/90/92/18/1173909218.db2.gz XWAJMZGYTDGCIW-SSDOTTSWSA-N -1 1 293.352 1.346 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCSC[C@H]1C ZINC001592500608 1173909222 /nfs/dbraw/zinc/90/92/22/1173909222.db2.gz XWAJMZGYTDGCIW-SSDOTTSWSA-N -1 1 293.352 1.346 20 0 CDADMM Clc1csc(CNc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001592538214 1173915038 /nfs/dbraw/zinc/91/50/38/1173915038.db2.gz IFFHLOHBEZSNAX-UHFFFAOYSA-N -1 1 281.732 1.917 20 0 CDADMM Clc1csc(CNc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001592538214 1173915045 /nfs/dbraw/zinc/91/50/45/1173915045.db2.gz IFFHLOHBEZSNAX-UHFFFAOYSA-N -1 1 281.732 1.917 20 0 CDADMM Clc1nc(NCCn2cccn2)sc1-c1nnn[n-]1 ZINC001592540445 1173915083 /nfs/dbraw/zinc/91/50/83/1173915083.db2.gz LPGMOOMYFBXKRT-UHFFFAOYSA-N -1 1 296.747 1.285 20 0 CDADMM Clc1nc(NCCn2cccn2)sc1-c1nn[n-]n1 ZINC001592540445 1173915088 /nfs/dbraw/zinc/91/50/88/1173915088.db2.gz LPGMOOMYFBXKRT-UHFFFAOYSA-N -1 1 296.747 1.285 20 0 CDADMM FC1(CCNc2ncncc2-c2nn[n-]n2)CCC1 ZINC001592628095 1173932597 /nfs/dbraw/zinc/93/25/97/1173932597.db2.gz QMAVLWPCEDNSLU-UHFFFAOYSA-N -1 1 263.280 1.351 20 0 CDADMM FC1(F)CCCC[C@@H]1COc1cnc(-c2nn[n-]n2)nc1 ZINC001592628291 1173936029 /nfs/dbraw/zinc/93/60/29/1173936029.db2.gz QJXKQDJVGNCQIM-MRVPVSSYSA-N -1 1 296.281 1.861 20 0 CDADMM Fc1cc(CNc2cccc(-c3nnn[n-]3)n2)ccn1 ZINC001592639045 1173947383 /nfs/dbraw/zinc/94/73/83/1173947383.db2.gz NOPLJDFTWGZGCG-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM Fc1cc(CNc2cccc(-c3nn[n-]n3)n2)ccn1 ZINC001592639045 1173947388 /nfs/dbraw/zinc/94/73/88/1173947388.db2.gz NOPLJDFTWGZGCG-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM Fc1ccc(C(F)(F)Cn2cc(-c3nn[n-]n3)nn2)cc1 ZINC001592645756 1173953018 /nfs/dbraw/zinc/95/30/18/1173953018.db2.gz GPAGEQRPGSUPJR-UHFFFAOYSA-N -1 1 295.228 1.389 20 0 CDADMM Fc1cccc(CCCNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001592654769 1173954218 /nfs/dbraw/zinc/95/42/18/1173954218.db2.gz MWANZRPQWDLOOE-UHFFFAOYSA-N -1 1 299.313 1.262 20 0 CDADMM Fc1ccc2c(c1)OCCN2c1ccnc(-c2nnn[n-]2)c1 ZINC001592654446 1173956072 /nfs/dbraw/zinc/95/60/72/1173956072.db2.gz JVSAXAYSBHYKAA-UHFFFAOYSA-N -1 1 298.281 1.931 20 0 CDADMM Fc1ccc2c(c1)OCCN2c1ccnc(-c2nn[n-]n2)c1 ZINC001592654446 1173956076 /nfs/dbraw/zinc/95/60/76/1173956076.db2.gz JVSAXAYSBHYKAA-UHFFFAOYSA-N -1 1 298.281 1.931 20 0 CDADMM Fc1ccc2c(c1)CC[C@H]2Nc1cnc(-c2nnn[n-]2)cn1 ZINC001592653181 1173956211 /nfs/dbraw/zinc/95/62/11/1173956211.db2.gz ORAPEWWPNCWFFJ-LLVKDONJSA-N -1 1 297.297 1.895 20 0 CDADMM Fc1ccc2c(c1)CC[C@H]2Nc1cnc(-c2nn[n-]n2)cn1 ZINC001592653181 1173956215 /nfs/dbraw/zinc/95/62/15/1173956215.db2.gz ORAPEWWPNCWFFJ-LLVKDONJSA-N -1 1 297.297 1.895 20 0 CDADMM Fc1cccc(OCCc2cnoc2)c1-c1nnn[n-]1 ZINC001592658662 1173958412 /nfs/dbraw/zinc/95/84/12/1173958412.db2.gz XBUNLRANOHYXPA-UHFFFAOYSA-N -1 1 275.243 1.615 20 0 CDADMM Fc1cccc(OCCc2cnoc2)c1-c1nn[n-]n1 ZINC001592658662 1173958417 /nfs/dbraw/zinc/95/84/17/1173958417.db2.gz XBUNLRANOHYXPA-UHFFFAOYSA-N -1 1 275.243 1.615 20 0 CDADMM Fc1cccc2c1N(c1cc(-c3nnn[n-]3)ncn1)CC2 ZINC001592661521 1173958870 /nfs/dbraw/zinc/95/88/70/1173958870.db2.gz SCAZPNAPDOZJRA-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM Fc1cccc2c1N(c1cc(-c3nn[n-]n3)ncn1)CC2 ZINC001592661521 1173958877 /nfs/dbraw/zinc/95/88/77/1173958877.db2.gz SCAZPNAPDOZJRA-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM NC(CC1CC1)=[NH+]OCc1ccc(-c2nn[nH]n2)s1 ZINC001592739809 1173983779 /nfs/dbraw/zinc/98/37/79/1173983779.db2.gz SAUSFYLLHLEXFV-UHFFFAOYSA-N -1 1 278.341 1.727 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC12CCC(CC1)C2 ZINC001592915754 1174002906 /nfs/dbraw/zinc/00/29/06/1174002906.db2.gz SKCLQLDVJAFHGO-UHFFFAOYSA-N -1 1 298.350 1.253 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC12CCC(CC1)C2 ZINC001592915754 1174002912 /nfs/dbraw/zinc/00/29/12/1174002912.db2.gz SKCLQLDVJAFHGO-UHFFFAOYSA-N -1 1 298.350 1.253 20 0 CDADMM O=C(NC12CCC(CC1)CC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001592962317 1174006608 /nfs/dbraw/zinc/00/66/08/1174006608.db2.gz IDADUBWDWRKZOC-UHFFFAOYSA-N -1 1 298.350 1.714 20 0 CDADMM O=C(NC12CCC(CC1)CC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001592962317 1174006612 /nfs/dbraw/zinc/00/66/12/1174006612.db2.gz IDADUBWDWRKZOC-UHFFFAOYSA-N -1 1 298.350 1.714 20 0 CDADMM O=C(N[C@@H]1C=CCCC1)c1csc(-c2nn[n-]n2)c1 ZINC001592965788 1174007822 /nfs/dbraw/zinc/00/78/22/1174007822.db2.gz OTODKRVKKZZIGB-SECBINFHSA-N -1 1 275.337 1.767 20 0 CDADMM O=C(NCCc1ccccc1)c1coc(-c2nnn[n-]2)c1 ZINC001593106438 1174021024 /nfs/dbraw/zinc/02/10/24/1174021024.db2.gz NXCWNMLIAGSORW-UHFFFAOYSA-N -1 1 283.291 1.432 20 0 CDADMM O=C(NCCc1ccccc1)c1coc(-c2nn[n-]n2)c1 ZINC001593106438 1174021034 /nfs/dbraw/zinc/02/10/34/1174021034.db2.gz NXCWNMLIAGSORW-UHFFFAOYSA-N -1 1 283.291 1.432 20 0 CDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cccs1 ZINC001593146634 1174025992 /nfs/dbraw/zinc/02/59/92/1174025992.db2.gz XVYCLADHYWLCPQ-UHFFFAOYSA-N -1 1 286.320 1.253 20 0 CDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cccs1 ZINC001593146634 1174025995 /nfs/dbraw/zinc/02/59/95/1174025995.db2.gz XVYCLADHYWLCPQ-UHFFFAOYSA-N -1 1 286.320 1.253 20 0 CDADMM O=C(NCc1ccco1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593147402 1174026812 /nfs/dbraw/zinc/02/68/12/1174026812.db2.gz PQCJSXNQRZPCPM-UHFFFAOYSA-N -1 1 285.267 1.176 20 0 CDADMM O=C(NCc1ccco1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593147402 1174026815 /nfs/dbraw/zinc/02/68/15/1174026815.db2.gz PQCJSXNQRZPCPM-UHFFFAOYSA-N -1 1 285.267 1.176 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CCCSC1 ZINC001593268261 1174045256 /nfs/dbraw/zinc/04/52/56/1174045256.db2.gz RSIUJUGWTFEKTB-LURJTMIESA-N -1 1 296.381 1.405 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CCCSC1 ZINC001593268261 1174045263 /nfs/dbraw/zinc/04/52/63/1174045263.db2.gz RSIUJUGWTFEKTB-LURJTMIESA-N -1 1 296.381 1.405 20 0 CDADMM O=C(OC[C@@H]1CC1(F)F)c1cccc(-c2nnn[n-]2)n1 ZINC001593285333 1174050591 /nfs/dbraw/zinc/05/05/91/1174050591.db2.gz SETILUPKRIQCKV-LURJTMIESA-N -1 1 281.222 1.074 20 0 CDADMM O=C(OC[C@@H]1CC1(F)F)c1cccc(-c2nn[n-]n2)n1 ZINC001593285333 1174050597 /nfs/dbraw/zinc/05/05/97/1174050597.db2.gz SETILUPKRIQCKV-LURJTMIESA-N -1 1 281.222 1.074 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1C2CCC1CC2 ZINC001593340915 1174068364 /nfs/dbraw/zinc/06/83/64/1174068364.db2.gz OVFYVJPPOXECBQ-UHFFFAOYSA-N -1 1 259.269 1.227 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1C2CCC1CC2 ZINC001593340915 1174068371 /nfs/dbraw/zinc/06/83/71/1174068371.db2.gz OVFYVJPPOXECBQ-UHFFFAOYSA-N -1 1 259.269 1.227 20 0 CDADMM O=c1c2c([n-]n1Cc1ccc(-c3nn[nH]n3)cc1)CCCC2 ZINC001593382776 1174074995 /nfs/dbraw/zinc/07/49/95/1174074995.db2.gz SASQLTBOZKDXQO-GFCCVEGCSA-N -1 1 296.334 1.755 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CC(CC3CC3)C2)c1 ZINC001593549884 1174121214 /nfs/dbraw/zinc/12/12/14/1174121214.db2.gz HAVSAFPCERBMIE-UHFFFAOYSA-N -1 1 256.313 1.498 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CC[C@@H]2[C@@H]2CCCOC2)c1 ZINC001593550001 1174121389 /nfs/dbraw/zinc/12/13/89/1174121389.db2.gz KJRFKTLLMHZCER-ZYHUDNBSSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CC[C@@H]2[C@@H]2CCCOC2)c1 ZINC001593550001 1174121393 /nfs/dbraw/zinc/12/13/93/1174121393.db2.gz KJRFKTLLMHZCER-ZYHUDNBSSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(N2CC[C@H]([C@H]3CCCO3)C2)cc(-c2nnn[n-]2)n1 ZINC001593557637 1174130424 /nfs/dbraw/zinc/13/04/24/1174130424.db2.gz PVKDJXDDFBMYGA-GXFFZTMASA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(N2CC[C@H]([C@H]3CCCO3)C2)cc(-c2nn[n-]n2)n1 ZINC001593557637 1174130429 /nfs/dbraw/zinc/13/04/29/1174130429.db2.gz PVKDJXDDFBMYGA-GXFFZTMASA-N -1 1 286.339 1.267 20 0 CDADMM c1ccc2c(c1)CCN2c1cc(-c2nnn[n-]2)ncn1 ZINC001593581054 1174147794 /nfs/dbraw/zinc/14/77/94/1174147794.db2.gz ZUFIEKSCROHRBO-UHFFFAOYSA-N -1 1 265.280 1.351 20 0 CDADMM c1ccc2c(c1)CCN2c1cc(-c2nn[n-]n2)ncn1 ZINC001593581054 1174147800 /nfs/dbraw/zinc/14/78/00/1174147800.db2.gz ZUFIEKSCROHRBO-UHFFFAOYSA-N -1 1 265.280 1.351 20 0 CDADMM c1ccc2c(c1)SC[C@H]2Nc1cncc(-c2nnn[n-]2)n1 ZINC001593580315 1174148538 /nfs/dbraw/zinc/14/85/38/1174148538.db2.gz SVZSXADYCJTPPM-SNVBAGLBSA-N -1 1 297.347 1.916 20 0 CDADMM c1ccc2c(c1)SC[C@H]2Nc1cncc(-c2nn[n-]n2)n1 ZINC001593580315 1174148543 /nfs/dbraw/zinc/14/85/43/1174148543.db2.gz SVZSXADYCJTPPM-SNVBAGLBSA-N -1 1 297.347 1.916 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@@H]2CCCSC2)c1 ZINC001593583371 1174149363 /nfs/dbraw/zinc/14/93/63/1174149363.db2.gz ZNCMAAUDFCWTAQ-MRVPVSSYSA-N -1 1 262.342 1.569 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@@H]2CCCSC2)c1 ZINC001593583371 1174149367 /nfs/dbraw/zinc/14/93/67/1174149367.db2.gz ZNCMAAUDFCWTAQ-MRVPVSSYSA-N -1 1 262.342 1.569 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC001593583265 1174151208 /nfs/dbraw/zinc/15/12/08/1174151208.db2.gz UMDDAXMLXCBCKO-UTLUCORTSA-N -1 1 256.313 1.862 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC001593583265 1174151211 /nfs/dbraw/zinc/15/12/11/1174151211.db2.gz UMDDAXMLXCBCKO-UTLUCORTSA-N -1 1 256.313 1.862 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OC[C@@H]2C[C@@]23CCOC3)c1 ZINC001593583625 1174151279 /nfs/dbraw/zinc/15/12/79/1174151279.db2.gz BNZXOUFOGAZEGS-TVQRCGJNSA-N -1 1 273.296 1.067 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OC[C@@H]2C[C@@]23CCOC3)c1 ZINC001593583625 1174151284 /nfs/dbraw/zinc/15/12/84/1174151284.db2.gz BNZXOUFOGAZEGS-TVQRCGJNSA-N -1 1 273.296 1.067 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(Oc2ccc3nccnc3n2)c1 ZINC001593584291 1174153290 /nfs/dbraw/zinc/15/32/90/1174153290.db2.gz KSPDBCRCIQESMD-UHFFFAOYSA-N -1 1 292.262 1.392 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(Oc2ccc3nccnc3n2)c1 ZINC001593584291 1174153293 /nfs/dbraw/zinc/15/32/93/1174153293.db2.gz KSPDBCRCIQESMD-UHFFFAOYSA-N -1 1 292.262 1.392 20 0 CDADMM c1cn2ncc(-c3nn[n-]n3)c2n1CCC1CCCC1 ZINC001593592804 1174159146 /nfs/dbraw/zinc/15/91/46/1174159146.db2.gz DOLYRYAXUZCNOQ-UHFFFAOYSA-N -1 1 271.328 1.896 20 0 CDADMM c1sc(-c2nn[n-]n2)cc1CNc1nc(C2CC2)no1 ZINC001593596309 1174167160 /nfs/dbraw/zinc/16/71/60/1174167160.db2.gz UEQIXWYZOAPSFN-UHFFFAOYSA-N -1 1 289.324 1.801 20 0 CDADMM Cc1cc(CN)oc1C(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC001600191281 1174396429 /nfs/dbraw/zinc/39/64/29/1174396429.db2.gz FHAUPBCATQHLKN-ZDUSSCGKSA-N -1 1 266.297 1.126 20 0 CDADMM Cc1cc(CN2C[C@@H]3C[C@H]2C[S@@]3=O)ccc1C(=O)[O-] ZINC001600195878 1174402170 /nfs/dbraw/zinc/40/21/70/1174402170.db2.gz FFIIARILKRUUQV-ZKTNFTSUSA-N -1 1 279.361 1.398 20 0 CDADMM Cc1cc(NS(=O)(=O)CCC(=O)[O-])cc2[nH]ncc21 ZINC001600281538 1174436630 /nfs/dbraw/zinc/43/66/30/1174436630.db2.gz FPKVRUBWZVNFSG-UHFFFAOYSA-N -1 1 283.309 1.088 20 0 CDADMM Cc1ccc(-c2n[nH]c(NC(=O)CCCC(=O)[O-])n2)o1 ZINC001600320389 1174442900 /nfs/dbraw/zinc/44/29/00/1174442900.db2.gz ZQKNQNIHGZZMOS-UHFFFAOYSA-N -1 1 278.268 1.567 20 0 CDADMM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ncn[nH]2)cc1 ZINC001600371974 1174457129 /nfs/dbraw/zinc/45/71/29/1174457129.db2.gz KOQVUWJQFPKSGC-SNVBAGLBSA-N -1 1 274.280 1.059 20 0 CDADMM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2nc[nH]n2)cc1 ZINC001600371974 1174457134 /nfs/dbraw/zinc/45/71/34/1174457134.db2.gz KOQVUWJQFPKSGC-SNVBAGLBSA-N -1 1 274.280 1.059 20 0 CDADMM Cc1cccc([C@H](O)CNCc2cc(C(=O)[O-])no2)c1 ZINC001600520774 1174495713 /nfs/dbraw/zinc/49/57/13/1174495713.db2.gz YOTZKXUOWJLURL-CYBMUJFWSA-N -1 1 276.292 1.504 20 0 CDADMM Cc1ccccc1CN1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001600579757 1174512161 /nfs/dbraw/zinc/51/21/61/1174512161.db2.gz UUPIZIZSDRLIFS-CYBMUJFWSA-N -1 1 276.336 1.160 20 0 CDADMM Cc1oc(CNC(=O)CCN2CC[C@@H](F)C2)cc1C(=O)[O-] ZINC001600847398 1174641180 /nfs/dbraw/zinc/64/11/80/1174641180.db2.gz YCZRBGCAJACSDY-SNVBAGLBSA-N -1 1 298.314 1.336 20 0 CDADMM Nc1cnc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])cn1 ZINC001601218194 1174795171 /nfs/dbraw/zinc/79/51/71/1174795171.db2.gz HLNNUXLWUDURLC-ZDUSSCGKSA-N -1 1 284.319 1.070 20 0 CDADMM Nc1ccnc2c1CN(Cc1ccc(C(=O)[O-])o1)CC2 ZINC001601218228 1174796205 /nfs/dbraw/zinc/79/62/05/1174796205.db2.gz IECWTQWVWUUNSU-UHFFFAOYSA-N -1 1 273.292 1.513 20 0 CDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1cc(Cl)cs1 ZINC001601565864 1174901777 /nfs/dbraw/zinc/90/17/77/1174901777.db2.gz NWFYTZYZGYGLRF-QMMMGPOBSA-N -1 1 299.739 1.550 20 0 CDADMM O=C([O-])[C@@H]1CCN(CN2C[C@@H](C3CCCCC3)CC2=O)C1 ZINC001601825831 1175023016 /nfs/dbraw/zinc/02/30/16/1175023016.db2.gz RTUNFKLDKAXYMW-KGLIPLIRSA-N -1 1 294.395 1.779 20 0 CDADMM O=C([O-])C[C@@H](NCc1nc2c(o1)CCCC2)C1CC1 ZINC001601907211 1175060177 /nfs/dbraw/zinc/06/01/77/1175060177.db2.gz RLOWYIWNCOUXSB-LLVKDONJSA-N -1 1 264.325 1.896 20 0 CDADMM O=C([O-])C[C@]1(NCc2scnc2Cl)CCCOC1 ZINC001601938096 1175074479 /nfs/dbraw/zinc/07/44/79/1175074479.db2.gz VPMJGAGVVRJSHC-LLVKDONJSA-N -1 1 290.772 1.910 20 0 CDADMM O=C([O-])Cc1c[nH]n(Cc2ccccc2F)c1=O ZINC001601942388 1175076197 /nfs/dbraw/zinc/07/61/97/1175076197.db2.gz ZSONMLXISAMMEQ-VIFPVBQESA-N -1 1 250.229 1.245 20 0 CDADMM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2nnc(C3CCC3)[nH]2)CC1 ZINC001602216024 1175169879 /nfs/dbraw/zinc/16/98/79/1175169879.db2.gz SMGRODBLPMBAQR-MGCOHNPYSA-N -1 1 292.339 1.902 20 0 CDADMM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2n[nH]c(C3CCC3)n2)CC1 ZINC001602216024 1175169881 /nfs/dbraw/zinc/16/98/81/1175169881.db2.gz SMGRODBLPMBAQR-MGCOHNPYSA-N -1 1 292.339 1.902 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](O)CN1Cc1ccc2cc[nH]c2c1 ZINC001602219171 1175172711 /nfs/dbraw/zinc/17/27/11/1175172711.db2.gz ATBUSJWUQBLSNV-DGCLKSJQSA-N -1 1 260.293 1.188 20 0 CDADMM O=C([O-])c1cnc(CN2CC[C@@H](O)C23CCCC3)s1 ZINC001602519028 1175266546 /nfs/dbraw/zinc/26/65/46/1175266546.db2.gz NPNHIWSBUSUUMI-SNVBAGLBSA-N -1 1 282.365 1.721 20 0 CDADMM O=C([O-])c1coc(C(=O)Nc2nc(-c3ccco3)n[nH]2)c1 ZINC001602551414 1175290850 /nfs/dbraw/zinc/29/08/50/1175290850.db2.gz WLOUVMQTSMJHSP-UHFFFAOYSA-N -1 1 288.219 1.608 20 0 CDADMM C(=Cc1ccccc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001602745887 1175381120 /nfs/dbraw/zinc/38/11/20/1175381120.db2.gz WRRCBVRSLHHGRM-DAXSKMNVSA-N -1 1 279.307 1.782 20 0 CDADMM C(=Cc1ccccc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001602745887 1175381124 /nfs/dbraw/zinc/38/11/24/1175381124.db2.gz WRRCBVRSLHHGRM-DAXSKMNVSA-N -1 1 279.307 1.782 20 0 CDADMM CC(=O)C[C@H](C)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001602914365 1175451349 /nfs/dbraw/zinc/45/13/49/1175451349.db2.gz HFJSXLSHGCGMSJ-LURJTMIESA-N -1 1 279.325 1.026 20 0 CDADMM CC(=O)C[C@H](C)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001602914365 1175451352 /nfs/dbraw/zinc/45/13/52/1175451352.db2.gz HFJSXLSHGCGMSJ-LURJTMIESA-N -1 1 279.325 1.026 20 0 CDADMM CC(C)(C)[C@H]1CCC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001603066650 1175484445 /nfs/dbraw/zinc/48/44/45/1175484445.db2.gz UGGVNNBJIQFTAF-UWVGGRQHSA-N -1 1 287.371 1.705 20 0 CDADMM CC(=O)c1ccc(C(=O)O[C@H]2C[C@@H](C(=O)[O-])[N@@H+](C)C2)cc1 ZINC001603107722 1175491736 /nfs/dbraw/zinc/49/17/36/1175491736.db2.gz HQHICEJAYACDIG-STQMWFEESA-N -1 1 291.303 1.203 20 0 CDADMM CC(=O)c1ccc(C(=O)O[C@H]2C[C@@H](C(=O)[O-])N(C)C2)cc1 ZINC001603107722 1175491739 /nfs/dbraw/zinc/49/17/39/1175491739.db2.gz HQHICEJAYACDIG-STQMWFEESA-N -1 1 291.303 1.203 20 0 CDADMM CC(C)=CCCOC(=O)c1ccnc(-c2nnn[n-]2)c1 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283.291 1.630 20 0 CDADMM O=C(CCCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1)C1CC1 ZINC001411938672 932160852 /nfs/dbraw/zinc/16/08/52/932160852.db2.gz OHBSFGDSNZOXDZ-LLVKDONJSA-N -1 1 291.355 1.055 20 0 CDADMM Cc1ccc(C(=O)NCCCC[P@](=O)([O-])O)cn1 ZINC001147168623 932432449 /nfs/dbraw/zinc/43/24/49/932432449.db2.gz OXEWNKHEJNQGNO-UHFFFAOYSA-N -1 1 272.241 1.078 20 0 CDADMM CC(C)c1cc(C(=O)[N-]c2ncn(C)c3ncnc2-3)no1 ZINC001147472976 932511959 /nfs/dbraw/zinc/51/19/59/932511959.db2.gz CYQMRKCAJNMWFI-UHFFFAOYSA-N -1 1 286.295 1.679 20 0 CDADMM CSc1ncc(C(=O)N(C)c2cccc(C)n2)c(=O)[n-]1 ZINC001412596918 932544721 /nfs/dbraw/zinc/54/47/21/932544721.db2.gz UPLQOTSEOIUUGS-UHFFFAOYSA-N -1 1 290.348 1.884 20 0 CDADMM Cc1ncc(CO)c(C(=O)N(C)C2CC(F)(F)C2)c1[O-] ZINC001147834055 932615262 /nfs/dbraw/zinc/61/52/62/932615262.db2.gz LOLUHZGSSUHZIV-UHFFFAOYSA-N -1 1 286.278 1.458 20 0 CDADMM Cc1ncc(CO)c(C(=O)N2CCC3(CCC3)C2)c1[O-] ZINC001147838718 932616659 /nfs/dbraw/zinc/61/66/59/932616659.db2.gz XZAJVAPEYOSKAX-UHFFFAOYSA-N -1 1 276.336 1.604 20 0 CDADMM Cc1ncc(CO)c(C(=O)N[C@@H](C)c2ccno2)c1[O-] ZINC001147848263 932619183 /nfs/dbraw/zinc/61/91/83/932619183.db2.gz IEDPPDXLTYIXKV-ZETCQYMHSA-N -1 1 277.280 1.067 20 0 CDADMM CO[C@@H]1CN(Cc2cc(F)c([O-])c(F)c2)C[C@@H]1OC ZINC000234862663 932621938 /nfs/dbraw/zinc/62/19/38/932621938.db2.gz OOEOTKNDBKBJDE-TXEJJXNPSA-N -1 1 273.279 1.516 20 0 CDADMM COc1cccc(C(=O)Nc2n[nH]c3nccnc23)c1O ZINC001148197687 932658308 /nfs/dbraw/zinc/65/83/08/932658308.db2.gz XNPGTDIEFQXUGY-UHFFFAOYSA-N -1 1 285.263 1.271 20 0 CDADMM Cc1cc(=O)n(-c2ccc(C(=O)Nc3nccn3C)cc2)[n-]1 ZINC001148326551 932692430 /nfs/dbraw/zinc/69/24/30/932692430.db2.gz QZVLWWVDQGKLEO-UHFFFAOYSA-N -1 1 297.318 1.785 20 0 CDADMM O=C(N[C@@H]1C[C@H]1F)c1cc([O-])c(Br)c(O)c1 ZINC001148989800 932819631 /nfs/dbraw/zinc/81/96/31/932819631.db2.gz KATHPSIKCSDOET-PHDIDXHHSA-N -1 1 290.088 1.701 20 0 CDADMM Cc1nc2c(o1)CCN(C(=O)c1[n-][nH]c3cc(=O)ccc1-3)C2 ZINC001155266311 937656069 /nfs/dbraw/zinc/65/60/69/937656069.db2.gz BORUCUZOGNCXMK-UHFFFAOYSA-N -1 1 298.302 1.763 20 0 CDADMM C[C@@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)N(C)C ZINC001119531159 937728579 /nfs/dbraw/zinc/72/85/79/937728579.db2.gz BJPLPXHJKNTBKD-QWRGUYRKSA-N -1 1 256.346 1.040 20 0 CDADMM C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C(=O)[O-] ZINC001119582454 937735359 /nfs/dbraw/zinc/73/53/59/937735359.db2.gz XJPWEGYNYGZONK-PWSUYJOCSA-N -1 1 268.357 1.040 20 0 CDADMM O=C(Cn1cc(C2CC2)nn1)Nc1cc(F)cc(F)c1[O-] ZINC001119586638 937735697 /nfs/dbraw/zinc/73/56/97/937735697.db2.gz MSPRFOSVHNFKLP-UHFFFAOYSA-N -1 1 294.261 1.778 20 0 CDADMM [O-]c1cccnc1CN1CC[C@](O)(CF)[C@@H](F)C1 ZINC001138391880 934289436 /nfs/dbraw/zinc/28/94/36/934289436.db2.gz YUMACVNHOWSKAO-RYUDHWBXSA-N -1 1 258.268 1.032 20 0 CDADMM C[C@@H](NCc1c(F)cc(F)c(F)c1F)C(=O)[O-] ZINC001120263010 937790100 /nfs/dbraw/zinc/79/01/00/937790100.db2.gz HGKOFDMQKBRXPR-SCSAIBSYSA-N -1 1 251.179 1.806 20 0 CDADMM CN(C)C(=O)OCCNC(=O)c1ccc(Cl)cc1[O-] ZINC000688989657 934758838 /nfs/dbraw/zinc/75/88/38/934758838.db2.gz WYDUKGNSFFQWNI-UHFFFAOYSA-N -1 1 286.715 1.474 20 0 CDADMM Cc1oc(C(=O)[O-])cc1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000689081832 934770433 /nfs/dbraw/zinc/77/04/33/934770433.db2.gz HHENZVKJWPYSDG-SNVBAGLBSA-N -1 1 280.324 1.452 20 0 CDADMM CCO[C@@H](C(=O)OCc1nn[n-]n1)c1ccccc1 ZINC001123118828 936117300 /nfs/dbraw/zinc/11/73/00/936117300.db2.gz ARGVPSUBMHLISW-LLVKDONJSA-N -1 1 262.269 1.021 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCC(C)(C)CCCO ZINC001123680538 936200128 /nfs/dbraw/zinc/20/01/28/936200128.db2.gz KHUTXHXKWATRJM-UHFFFAOYSA-N -1 1 299.396 1.308 20 0 CDADMM CCC[C@@H](C)CC(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001123868390 936236182 /nfs/dbraw/zinc/23/61/82/936236182.db2.gz FCDVCWPEWXPSOV-ZJUUUORDSA-N -1 1 251.334 1.342 20 0 CDADMM CCC[C@@H](C)CC(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001123868386 936237008 /nfs/dbraw/zinc/23/70/08/936237008.db2.gz FCDVCWPEWXPSOV-NXEZZACHSA-N -1 1 251.334 1.342 20 0 CDADMM Cc1cnc(Cl)c(C(=O)N2CC[C@H](c3nn[n-]n3)C2)c1 ZINC001123962623 936256528 /nfs/dbraw/zinc/25/65/28/936256528.db2.gz VFXZTTQGHKCSFY-QMMMGPOBSA-N -1 1 292.730 1.186 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCCC(F)F ZINC001124112296 936285878 /nfs/dbraw/zinc/28/58/78/936285878.db2.gz RFBHZDCRNWAKSX-UHFFFAOYSA-N -1 1 263.269 1.164 20 0 CDADMM C[C@@H]1CCCN(c2nnc(-c3c[n-][nH]c3=O)n2C)C1 ZINC001121469817 937873047 /nfs/dbraw/zinc/87/30/47/937873047.db2.gz NPDCOMAGIITHHJ-MRVPVSSYSA-N -1 1 262.317 1.147 20 0 CDADMM CC1(C)CC[C@H](CO)N(C(=O)c2ccc([O-])cn2)C1 ZINC001156263281 938342696 /nfs/dbraw/zinc/34/26/96/938342696.db2.gz QJWQFNVOTFQLJJ-SNVBAGLBSA-N -1 1 264.325 1.410 20 0 CDADMM CCC(CC)(NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1nn[n-]n1 ZINC001156920023 938434065 /nfs/dbraw/zinc/43/40/65/938434065.db2.gz CEOYOLDGIZFCCQ-GRYCIOLGSA-N -1 1 289.383 1.934 20 0 CDADMM Cc1[nH+][n-]c2nnc(NC(=O)c3cncc([O-])c3)c-2c1C ZINC001157403742 938487205 /nfs/dbraw/zinc/48/72/05/938487205.db2.gz OFUKPYKPIJCFJV-UHFFFAOYSA-N -1 1 284.279 1.323 20 0 CDADMM Cc1c[nH]c(=O)c(CNC(=O)c2ncccc2[O-])c1 ZINC001158365535 938615304 /nfs/dbraw/zinc/61/53/04/938615304.db2.gz OMCWTZCYTSTXSE-UHFFFAOYSA-N -1 1 259.265 1.126 20 0 CDADMM Cc1cc2c(ccnc2Nc2c(O)[nH]c(=O)[n-]c2=S)o1 ZINC001160858018 938833207 /nfs/dbraw/zinc/83/32/07/938833207.db2.gz KZZVRATZNIGWJV-QMMMGPOBSA-N -1 1 290.304 1.084 20 0 CDADMM Cc1c(C(=O)Nc2c[n-][nH]c2=O)nnn1-c1ccc(C)cc1 ZINC001161384371 938898487 /nfs/dbraw/zinc/89/84/87/938898487.db2.gz MAYLGUZSCQFGOI-UHFFFAOYSA-N -1 1 298.306 1.565 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cnc(CC2CC2)s1 ZINC001161391825 938899280 /nfs/dbraw/zinc/89/92/80/938899280.db2.gz QENDPVNUNPIFEA-UHFFFAOYSA-N -1 1 264.310 1.777 20 0 CDADMM O=C(NCCc1c(F)cc([O-])cc1F)c1c[nH]c(=S)[nH]1 ZINC001161854046 938935976 /nfs/dbraw/zinc/93/59/76/938935976.db2.gz FLKFUCQUFQPASD-UHFFFAOYSA-N -1 1 299.302 1.655 20 0 CDADMM CC(=O)N1CCC2(CN(Cc3ccc(C(=O)[O-])cc3)C2)C1 ZINC001204154445 939739063 /nfs/dbraw/zinc/73/90/63/939739063.db2.gz JEZRRNYUPGABDL-UHFFFAOYSA-N -1 1 288.347 1.439 20 0 CDADMM CN(C1CN(Cc2ccc(C(=O)[O-])cc2)C1)[C@H]1CCOC1 ZINC001204155414 939739122 /nfs/dbraw/zinc/73/91/22/939739122.db2.gz MRNZEEABJDCDNC-AWEZNQCLSA-N -1 1 290.363 1.290 20 0 CDADMM COC(=O)c1nsnc1[N-]c1cnn(CC(C)C)c1 ZINC001205850282 939945364 /nfs/dbraw/zinc/94/53/64/939945364.db2.gz ISZOFLIFNXQPCQ-UHFFFAOYSA-N -1 1 281.341 1.921 20 0 CDADMM Nc1cc(S(=O)(=O)[N-]c2ccccc2N)ccc1O ZINC001206348179 940023592 /nfs/dbraw/zinc/02/35/92/940023592.db2.gz SIZQJJOJRIDFCK-UHFFFAOYSA-N -1 1 279.321 1.357 20 0 CDADMM CC[C@@H](C)CC(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001207914448 940261967 /nfs/dbraw/zinc/26/19/67/940261967.db2.gz LLSNBTQEJKUWEQ-MNOVXSKESA-N -1 1 295.387 1.027 20 0 CDADMM Nc1cncc(S(=O)(=O)[N-]c2ccc3nc[nH]c3c2)c1 ZINC001209848725 940646492 /nfs/dbraw/zinc/64/64/92/940646492.db2.gz QRYGNWFPIZPXLT-UHFFFAOYSA-N -1 1 289.320 1.341 20 0 CDADMM Cn1cncc1Nc1cccc(S(=O)(=O)[O-])c1 ZINC001211249728 940741290 /nfs/dbraw/zinc/74/12/90/940741290.db2.gz ZFOAFXFSRBLFRY-UHFFFAOYSA-N -1 1 253.283 1.410 20 0 CDADMM Cc1cc(C)c(Nc2c(N)[nH]c(=S)[n-]c2=O)cn1 ZINC001213507716 940776831 /nfs/dbraw/zinc/77/68/31/940776831.db2.gz CQFOSROTIDETKL-UHFFFAOYSA-N -1 1 263.326 1.809 20 0 CDADMM Cc1ccc(O)c(Nc2c(N)[nH]c(=S)[n-]c2=O)c1 ZINC001214221092 940809074 /nfs/dbraw/zinc/80/90/74/940809074.db2.gz YHLRZULIHIKNTL-UHFFFAOYSA-N -1 1 264.310 1.811 20 0 CDADMM Nc1ncnc2nn(-c3cc(F)c([O-])c(Cl)c3)cc21 ZINC001214480192 940824664 /nfs/dbraw/zinc/82/46/64/940824664.db2.gz OASFJUUXDJKHMO-UHFFFAOYSA-N -1 1 279.662 1.678 20 0 CDADMM O=C([O-])c1cc(Nc2ccnc(CO)c2)cnc1F ZINC001215103480 940857190 /nfs/dbraw/zinc/85/71/90/940857190.db2.gz TYOXGYQVGKGVMC-UHFFFAOYSA-N -1 1 263.228 1.550 20 0 CDADMM Nc1[nH]c(=S)[n-]c(=O)c1Nc1cc2n[nH]cc2c(F)c1 ZINC001215554046 940893870 /nfs/dbraw/zinc/89/38/70/940893870.db2.gz UFWKDQZGZLRAJY-UHFFFAOYSA-N -1 1 292.299 1.812 20 0 CDADMM COc1c(O)cccc1Nc1cc(=O)[n-]c(N(C)C)n1 ZINC001216349588 940934535 /nfs/dbraw/zinc/93/45/35/940934535.db2.gz YOVSIFTZCCWCGI-UHFFFAOYSA-N -1 1 276.296 1.706 20 0 CDADMM CCS(=O)(=O)c1ccc([O-])c(NC2=CCCOC2)c1 ZINC001216506468 940943192 /nfs/dbraw/zinc/94/31/92/940943192.db2.gz OAHNQNKTUVKQPJ-UHFFFAOYSA-N -1 1 283.349 1.902 20 0 CDADMM COc1ccc(NC(=O)CCCc2nn[n-]n2)cc1OC ZINC001362014158 970775613 /nfs/dbraw/zinc/77/56/13/970775613.db2.gz YPFFHEVXZVXASJ-UHFFFAOYSA-N -1 1 291.311 1.178 20 0 CDADMM COc1cc2ccc(=O)oc2c(O[C@H]2C[C@@H](O)C2)c1[O-] ZINC001218418283 941214698 /nfs/dbraw/zinc/21/46/98/941214698.db2.gz VDOONQCWONKZBB-DTORHVGOSA-N -1 1 278.260 1.409 20 0 CDADMM Cc1cc(=O)oc2cc([O-])cc(OC[C@H]3C[C@H](O)C3)c12 ZINC001218425528 941216090 /nfs/dbraw/zinc/21/60/90/941216090.db2.gz CUZMBKSANLPWMC-MGCOHNPYSA-N -1 1 276.288 1.957 20 0 CDADMM CN(C)C(=O)c1cccc(CNC(=O)c2ccc([O-])cn2)c1 ZINC001362039271 970805139 /nfs/dbraw/zinc/80/51/39/970805139.db2.gz AWERPVQGJJYKAP-UHFFFAOYSA-N -1 1 299.330 1.419 20 0 CDADMM CNC(=O)c1ccccc1NC(=O)C1=C([O-])C(C)N=N1 ZINC001362040864 970807827 /nfs/dbraw/zinc/80/78/27/970807827.db2.gz GZQLPJIULMJLHI-UHFFFAOYSA-N -1 1 274.280 1.036 20 0 CDADMM Cc1cc(=O)n(C)cc1NC(=O)c1c(F)ccc([O-])c1F ZINC001362051759 970821619 /nfs/dbraw/zinc/82/16/19/970821619.db2.gz XWRHPRQSOSHVSC-UHFFFAOYSA-N -1 1 294.257 1.930 20 0 CDADMM C[C@@H](COc1ccccc1)OCCCOCc1nn[n-]n1 ZINC001223027165 941651126 /nfs/dbraw/zinc/65/11/26/941651126.db2.gz MQIPFJTZNQBBTI-LBPRGKRZSA-N -1 1 292.339 1.591 20 0 CDADMM CCn1cc(NC(=O)c2cccc([O-])c2F)ccc1=O ZINC001362070220 970847973 /nfs/dbraw/zinc/84/79/73/970847973.db2.gz CXTMUNWOZOHDSD-UHFFFAOYSA-N -1 1 276.267 1.965 20 0 CDADMM COc1cnc(=S)[n-]c1O[C@H]1COc2cnccc21 ZINC001226246750 941974141 /nfs/dbraw/zinc/97/41/41/941974141.db2.gz QYYIQCPVGSZYDR-JTQLQIEISA-N -1 1 277.305 1.681 20 0 CDADMM C[C@H]1C[C@@H](Oc2nc(=O)[nH]c(=O)[n-]2)CC(C)(C)C1 ZINC001227569228 942190719 /nfs/dbraw/zinc/19/07/19/942190719.db2.gz VWADNNGZZIMZOM-JGVFFNPUSA-N -1 1 253.302 1.876 20 0 CDADMM O=c1nc2ncsc2c(OC2CCN(CCF)CC2)[n-]1 ZINC001227607527 942194878 /nfs/dbraw/zinc/19/48/78/942194878.db2.gz KCURABHLNVELQY-UHFFFAOYSA-N -1 1 298.343 1.605 20 0 CDADMM CC[C@@H]1OC(=O)C(Oc2[n-]c(=O)nc3c2COC3)=C1C ZINC001227689409 942203224 /nfs/dbraw/zinc/20/32/24/942203224.db2.gz FKZXPBFXBUBUHE-VIFPVBQESA-N -1 1 278.264 1.201 20 0 CDADMM CC1=C(Oc2[n-]c(=O)nc3c2CO[C@H]3C)C(=O)O[C@@H]1C ZINC001227713379 942209625 /nfs/dbraw/zinc/20/96/25/942209625.db2.gz NZOWXYXJKVZGHQ-RQJHMYQMSA-N -1 1 278.264 1.372 20 0 CDADMM COC(=O)c1n[n-]c(O[C@H]2CCc3cccc(C)c32)n1 ZINC001228308959 942295352 /nfs/dbraw/zinc/29/53/52/942295352.db2.gz QAOUOIPGAGBJPQ-JTQLQIEISA-N -1 1 273.292 1.966 20 0 CDADMM COC(=O)c1nc(O[C@H]2CCc3cccc(C)c32)n[n-]1 ZINC001228308959 942295355 /nfs/dbraw/zinc/29/53/55/942295355.db2.gz QAOUOIPGAGBJPQ-JTQLQIEISA-N -1 1 273.292 1.966 20 0 CDADMM COC(=O)c1n[n-]c(O[C@H](C)c2ccc(OC)cc2)n1 ZINC001228312523 942296334 /nfs/dbraw/zinc/29/63/34/942296334.db2.gz TYFNHUCPNIJAPC-MRVPVSSYSA-N -1 1 277.280 1.740 20 0 CDADMM COC(=O)c1nc(O[C@H](C)c2ccc(OC)cc2)n[n-]1 ZINC001228312523 942296335 /nfs/dbraw/zinc/29/63/35/942296335.db2.gz TYFNHUCPNIJAPC-MRVPVSSYSA-N -1 1 277.280 1.740 20 0 CDADMM CCC(=O)c1c(O)cc([O-])cc1OC(=O)[C@H](O)CC ZINC001228553946 942334528 /nfs/dbraw/zinc/33/45/28/942334528.db2.gz FMQTYEQIKHKPTP-SECBINFHSA-N -1 1 268.265 1.367 20 0 CDADMM COCC(COC)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229129962 942423051 /nfs/dbraw/zinc/42/30/51/942423051.db2.gz SJSKEPYFDBTXOY-UHFFFAOYSA-N -1 1 280.276 1.539 20 0 CDADMM O=c1ccc2c(O[C@H]3CCCOC3=O)cc([O-])cc2o1 ZINC001229135896 942423192 /nfs/dbraw/zinc/42/31/92/942423192.db2.gz SEGCLYFWPUUDPY-JTQLQIEISA-N -1 1 276.244 1.583 20 0 CDADMM COC(=O)c1c[n-]c(=O)nc1OC1CCC(C)CC1 ZINC001229872711 942546311 /nfs/dbraw/zinc/54/63/11/942546311.db2.gz MYIARQKQOOANFI-UHFFFAOYSA-N -1 1 266.297 1.926 20 0 CDADMM COc1c(OC2=C(C)[C@H](C)OC2=O)nc(C)[n-]c1=O ZINC001230020555 942571897 /nfs/dbraw/zinc/57/18/97/942571897.db2.gz DKLXSQNXGBTQJR-LURJTMIESA-N -1 1 266.253 1.097 20 0 CDADMM CCOCC(COCC)Oc1nc(C)[n-]c(=O)c1OC ZINC001230022503 942572268 /nfs/dbraw/zinc/57/22/68/942572268.db2.gz VVUOBTZFCAOGSR-UHFFFAOYSA-N -1 1 286.328 1.320 20 0 CDADMM O=c1nc(OC2CCN(CCF)CC2)nc(Cl)[n-]1 ZINC001230242007 942594960 /nfs/dbraw/zinc/59/49/60/942594960.db2.gz VBXBCERIPFDWSO-UHFFFAOYSA-N -1 1 276.699 1.043 20 0 CDADMM O=C(Nc1ccc2c(c1)NC(=O)CC2)c1ccc([O-])cn1 ZINC001362144687 970941389 /nfs/dbraw/zinc/94/13/89/970941389.db2.gz BZRKMODACVCPHL-UHFFFAOYSA-N -1 1 283.287 1.924 20 0 CDADMM [O-]c1cc(CN2CC[C@](F)(CO)C2)ccc1Cl ZINC001231732452 942990936 /nfs/dbraw/zinc/99/09/36/942990936.db2.gz CNDNIDQXORXVNG-GFCCVEGCSA-N -1 1 259.708 1.952 20 0 CDADMM CN(C1COC1)C1CN(Cc2ccc(Cl)c([O-])c2)C1 ZINC001231734024 942992114 /nfs/dbraw/zinc/99/21/14/942992114.db2.gz OHODIYNOPYEQIZ-UHFFFAOYSA-N -1 1 282.771 1.560 20 0 CDADMM O=C1CC[C@@H]2CN(Cc3ccc(F)c([O-])c3F)CCN12 ZINC001232934806 943439492 /nfs/dbraw/zinc/43/94/92/943439492.db2.gz KFXVQQUZRDEZGG-SNVBAGLBSA-N -1 1 282.290 1.477 20 0 CDADMM [O-]c1cnc(Cl)cc1CN1CC[C@H](F)[C@@H](O)C1 ZINC001233032932 943468558 /nfs/dbraw/zinc/46/85/58/943468558.db2.gz WEGXQWBSPKFDGX-WPRPVWTQSA-N -1 1 260.696 1.345 20 0 CDADMM [O-]c1cnc(Cl)cc1CN1CCn2ncnc2C1 ZINC001233033353 943468701 /nfs/dbraw/zinc/46/87/01/943468701.db2.gz LYNULTVTTLLMIG-UHFFFAOYSA-N -1 1 265.704 1.048 20 0 CDADMM CC(C)C[C@@H](C)OCCC(=O)OCc1nn[n-]n1 ZINC001525996563 971013968 /nfs/dbraw/zinc/01/39/68/971013968.db2.gz XTXYASVSUOYUJA-SECBINFHSA-N -1 1 256.306 1.084 20 0 CDADMM COC(=O)c1n[nH]c(C(=O)OC)c1O[C@H](C)C1=CC=C[CH]1 ZINC001234189002 943770435 /nfs/dbraw/zinc/77/04/35/943770435.db2.gz HXECVLNXQZEFRF-MRVPVSSYSA-N -1 1 291.283 1.451 20 0 CDADMM C[N@H+]1CC[C@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234339190 943806643 /nfs/dbraw/zinc/80/66/43/943806643.db2.gz PMPBTSBCGHAQJK-NSHDSACASA-N -1 1 273.225 1.241 20 0 CDADMM Cc1ccccc1[C@@H](C)Oc1c(C(N)=O)nc[n-]c1=O ZINC001234465209 943849673 /nfs/dbraw/zinc/84/96/73/943849673.db2.gz CYATYXTWFGJRRA-SECBINFHSA-N 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PHAUBQITIDYTBG-SNVBAGLBSA-N -1 1 253.298 1.979 20 0 CDADMM CCc1ccccc1[N-]S(=O)(=O)CC(=O)OC ZINC001259026232 945470031 /nfs/dbraw/zinc/47/00/31/945470031.db2.gz LSHYUGDMQNCQDI-UHFFFAOYSA-N -1 1 257.311 1.164 20 0 CDADMM COC(=O)CS(=O)(=O)[N-]c1ccc(OC)cc1Cl ZINC001259026404 945471169 /nfs/dbraw/zinc/47/11/69/945471169.db2.gz SPTNYNRNTMDLKH-UHFFFAOYSA-N -1 1 293.728 1.263 20 0 CDADMM C[C@@]1([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C[C@@H](O)C1 ZINC001259043085 945476748 /nfs/dbraw/zinc/47/67/48/945476748.db2.gz OGTRMMYCBPTDSA-MHWOZMEASA-N -1 1 295.282 1.296 20 0 CDADMM Cc1cncnc1[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC001259248161 945514358 /nfs/dbraw/zinc/51/43/58/945514358.db2.gz IWXNYCNFNKQWBS-UHFFFAOYSA-N -1 1 281.312 1.866 20 0 CDADMM C[C@@]1([N-]S(=O)(=O)c2cc(Cl)ccc2F)C[C@@H](O)C1 ZINC001259459688 945574884 /nfs/dbraw/zinc/57/48/84/945574884.db2.gz CGNGUOURAGRPNK-JLIMDTESSA-N -1 1 293.747 1.671 20 0 CDADMM COCCS(=O)(=O)[N-]c1ccc2ocnc2c1 ZINC001259971157 945763787 /nfs/dbraw/zinc/76/37/87/945763787.db2.gz 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/nfs/dbraw/zinc/31/84/39/946318439.db2.gz OAKJZAQCAJXJNQ-OAQYLSRUSA-N -1 1 299.351 1.904 20 0 CDADMM CCC[C@H](NC(=O)CCCn1cccc1)c1nn[n-]n1 ZINC001362392804 971223176 /nfs/dbraw/zinc/22/31/76/971223176.db2.gz KUPWPJBMLXXMOS-NSHDSACASA-N -1 1 276.344 1.439 20 0 CDADMM CN1CCN(c2ccc(-c3cncc(C(=O)[O-])c3)cn2)CC1 ZINC001241801394 946475044 /nfs/dbraw/zinc/47/50/44/946475044.db2.gz ILTLDGBRERNJKW-UHFFFAOYSA-N -1 1 298.346 1.594 20 0 CDADMM CS(=O)(=O)c1ccc(-c2ccc(F)cc2[O-])cn1 ZINC001242217471 946641382 /nfs/dbraw/zinc/64/13/82/946641382.db2.gz CHSUFAWZNULMDO-UHFFFAOYSA-N -1 1 267.281 1.997 20 0 CDADMM Cc1nc(-c2ccccc2C(=O)[O-])nc2nc[nH]c21 ZINC001242877932 946916225 /nfs/dbraw/zinc/91/62/25/946916225.db2.gz UBNIHSUUOCQRAV-UHFFFAOYSA-N -1 1 254.249 1.978 20 0 CDADMM CC(=O)c1cccc(COc2cnc(-c3nn[n-]n3)nc2)c1 ZINC001573556097 946922215 /nfs/dbraw/zinc/92/22/15/946922215.db2.gz VXWLTXULJMKEQO-UHFFFAOYSA-N -1 1 296.290 1.438 20 0 CDADMM CN(C)C(=O)c1ncc(-c2ccc([O-])c(F)c2F)cn1 ZINC001243345399 947087155 /nfs/dbraw/zinc/08/71/55/947087155.db2.gz QGIQYXFHTPRHKI-UHFFFAOYSA-N -1 1 279.246 1.829 20 0 CDADMM COc1ncc(-c2ccc(-c3nn[n-]n3)nc2)cc1O ZINC001244847444 947494136 /nfs/dbraw/zinc/49/41/36/947494136.db2.gz ZHLVYNROPLXXRG-UHFFFAOYSA-N -1 1 270.252 1.038 20 0 CDADMM O=c1cc(-c2c(F)cccc2F)[n-]n1C1=NCCN1 ZINC001245932893 947853006 /nfs/dbraw/zinc/85/30/06/947853006.db2.gz SBTSRYLXGGEBGI-UHFFFAOYSA-N -1 1 264.235 1.341 20 0 CDADMM O=S(=O)([N-]CC1(F)COC1)c1ccc(Cl)s1 ZINC001256527370 948335615 /nfs/dbraw/zinc/33/56/15/948335615.db2.gz MYGPALWYSHLJMR-UHFFFAOYSA-N -1 1 285.749 1.418 20 0 CDADMM Fc1cc(F)c(-c2noc(Cc3nnn[n-]3)n2)cc1Cl ZINC001247142976 948600057 /nfs/dbraw/zinc/60/00/57/948600057.db2.gz VIQZQIZWZAMILG-UHFFFAOYSA-N -1 1 298.640 1.772 20 0 CDADMM Fc1cc(F)c(-c2noc(Cc3nn[n-]n3)n2)cc1Cl ZINC001247142976 948600064 /nfs/dbraw/zinc/60/00/64/948600064.db2.gz VIQZQIZWZAMILG-UHFFFAOYSA-N -1 1 298.640 1.772 20 0 CDADMM O=C([O-])c1cc(NC(=O)c2cc(Cl)ccc2O)[nH]n1 ZINC000080658157 949010119 /nfs/dbraw/zinc/01/01/19/949010119.db2.gz XVJRZNCEIONPDM-UHFFFAOYSA-N -1 1 281.655 1.719 20 0 CDADMM CCCN(CC(=O)[O-])Cc1cn2ccnc2s1 ZINC001589669658 949921512 /nfs/dbraw/zinc/92/15/12/949921512.db2.gz LRPIXAHFAQCRJW-UHFFFAOYSA-N -1 1 253.327 1.692 20 0 CDADMM CCC(CC)(NC(=O)c1cnc(Cl)n1C)c1nn[n-]n1 ZINC001362789665 971621090 /nfs/dbraw/zinc/62/10/90/971621090.db2.gz ZVJMJPSQDGFPMV-UHFFFAOYSA-N -1 1 297.750 1.032 20 0 CDADMM COc1ccc2c(c1[N-]S(=O)(=O)N(C)C)C(=O)CC2 ZINC001251094214 950602252 /nfs/dbraw/zinc/60/22/52/950602252.db2.gz KNQCEIVZTJWXSI-UHFFFAOYSA-N -1 1 284.337 1.042 20 0 CDADMM O=C([O-])CC1(C(=O)NOc2ccc(F)cc2)CCC1 ZINC001594976775 950925314 /nfs/dbraw/zinc/92/53/14/950925314.db2.gz NMAYAZPXZAFFBU-UHFFFAOYSA-N -1 1 267.256 1.881 20 0 CDADMM O=C([O-])CCCC(=O)OCc1nc[nH]c1C(F)(F)F ZINC001595031311 951370094 /nfs/dbraw/zinc/37/00/94/951370094.db2.gz KGGCCKPWMNYICX-UHFFFAOYSA-N -1 1 280.202 1.727 20 0 CDADMM COc1ccc(OC[C@H](O)CNC2=CC=C[CH]2)cc1 ZINC001252739260 951617332 /nfs/dbraw/zinc/61/73/32/951617332.db2.gz XGRZBGHNLYEYII-CYBMUJFWSA-N -1 1 260.313 1.682 20 0 CDADMM O=S(=O)(/C=C/c1ccccc1)[N-]c1ncccc1CO ZINC001252964026 951720968 /nfs/dbraw/zinc/72/09/68/951720968.db2.gz WCMRDBHJTLWXAF-CSKARUKUSA-N -1 1 290.344 1.987 20 0 CDADMM COCCc1ccc(OC[C@@H](O)CNC2=CC=C[CH]2)cc1 ZINC001253073711 951745239 /nfs/dbraw/zinc/74/52/39/951745239.db2.gz WFULIBCTVKRLIT-INIZCTEOSA-N -1 1 288.367 1.863 20 0 CDADMM O=C([O-])CCC(=O)CNC[C@H](O)c1ccc(F)c(F)c1 ZINC001253379098 951866505 /nfs/dbraw/zinc/86/65/05/951866505.db2.gz WFYFFHLCVDSNAZ-LBPRGKRZSA-N -1 1 287.262 1.022 20 0 CDADMM CSc1nc(NC[C@@H](O)COC(C)(C)C)cc(=O)[n-]1 ZINC001253445816 951906648 /nfs/dbraw/zinc/90/66/48/951906648.db2.gz KPWQBJJIVBTKEF-MRVPVSSYSA-N -1 1 287.385 1.492 20 0 CDADMM COc1coc(C(=O)Nc2cc([O-])c(F)cc2F)cc1=O ZINC001362989813 971793585 /nfs/dbraw/zinc/79/35/85/971793585.db2.gz YXCLYWFNWVPONF-UHFFFAOYSA-N -1 1 297.213 1.885 20 0 CDADMM COCC1=CCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000382538619 971820095 /nfs/dbraw/zinc/82/00/95/971820095.db2.gz RTWSXHGDLJPLNL-UHFFFAOYSA-N -1 1 251.282 1.756 20 0 CDADMM O=C(CNC(=O)c1ncccc1[O-])c1c(F)cccc1F ZINC001363113157 971898309 /nfs/dbraw/zinc/89/83/09/971898309.db2.gz YXZGSSAQTUBFFF-UHFFFAOYSA-N -1 1 292.241 1.678 20 0 CDADMM CCC(CC)(NC(=O)c1cnc(C)nc1C)c1nn[n-]n1 ZINC001363135553 971916348 /nfs/dbraw/zinc/91/63/48/971916348.db2.gz JFBDDXXGLIWLKI-UHFFFAOYSA-N -1 1 289.343 1.052 20 0 CDADMM CC[C@H](C)[C@H](NC(=O)CCCCc1c[nH]nn1)C(=O)[O-] ZINC001593609444 953451970 /nfs/dbraw/zinc/45/19/70/953451970.db2.gz LYGVXUJHVWDUNN-CABZTGNLSA-N -1 1 282.344 1.133 20 0 CDADMM CCOC(=O)C(C)(C)O[N-]C(=O)CC[C@H]1CCCO1 ZINC001324806115 953585600 /nfs/dbraw/zinc/58/56/00/953585600.db2.gz OBYSALNODXLLIN-SNVBAGLBSA-N -1 1 273.329 1.335 20 0 CDADMM CSc1ncc(C(=O)Nc2ncccc2CO)c(=O)[n-]1 ZINC001363175040 971946910 /nfs/dbraw/zinc/94/69/10/971946910.db2.gz USRAYYAZXQJLDP-UHFFFAOYSA-N -1 1 292.320 1.044 20 0 CDADMM CCc1nc(NC(=O)C=Cc2ccc(C(=O)[O-])o2)n[nH]1 ZINC001593647489 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/nfs/dbraw/zinc/68/44/96/1173684496.db2.gz RZDFIGZWAGVYQI-UHFFFAOYSA-N -1 1 297.409 1.800 20 0 CDADMM CSCCCCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001591699592 1173685893 /nfs/dbraw/zinc/68/58/93/1173685893.db2.gz UJEOCMXKTPEEEF-UHFFFAOYSA-N -1 1 279.373 1.024 20 0 CDADMM CSCCCNc1snc(C)c1-c1nn[n-]n1 ZINC001591699032 1173687178 /nfs/dbraw/zinc/68/71/78/1173687178.db2.gz BAHKMOXQCVVOIG-UHFFFAOYSA-N -1 1 270.387 1.797 20 0 CDADMM CS[C@H]1C[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001591702370 1173689677 /nfs/dbraw/zinc/68/96/77/1173689677.db2.gz ASLCVLGIBNHOOG-DTORHVGOSA-N -1 1 291.336 1.313 20 0 CDADMM CS[C@H]1C[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001591702370 1173689680 /nfs/dbraw/zinc/68/96/80/1173689680.db2.gz ASLCVLGIBNHOOG-DTORHVGOSA-N -1 1 291.336 1.313 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCC(C)(C)O2)n1 ZINC001591895040 1173741841 /nfs/dbraw/zinc/74/18/41/1173741841.db2.gz NVZDDVAPXWFCCH-SECBINFHSA-N -1 1 289.343 1.335 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCC(C)(C)O2)n1 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CN(C)c1cc(C(=O)Nc2nnn[n-]2)c2ccccc2n1 ZINC000182717462 323297362 /nfs/dbraw/zinc/29/73/62/323297362.db2.gz QUIXYTGNGKSLIJ-UHFFFAOYSA-N -1 1 283.295 1.066 20 0 CDADMM CN(C)c1cc(C(=O)Nc2nn[n-]n2)c2ccccc2n1 ZINC000182717462 323297365 /nfs/dbraw/zinc/29/73/65/323297365.db2.gz QUIXYTGNGKSLIJ-UHFFFAOYSA-N -1 1 283.295 1.066 20 0 CDADMM CO[C@@H]([C@H](C)NC(=O)c1ncccc1[O-])C1CC1 ZINC000388267784 323784036 /nfs/dbraw/zinc/78/40/36/323784036.db2.gz DHEHPAAKFRQDLM-UFBFGSQYSA-N -1 1 250.298 1.331 20 0 CDADMM CC[C@@H](N=c1[nH]c(C(F)(F)F)cs1)C(=O)[O-] ZINC000579209880 324127955 /nfs/dbraw/zinc/12/79/55/324127955.db2.gz KFRIRSSAVMELCT-SCSAIBSYSA-N -1 1 254.233 1.859 20 0 CDADMM COCC1(CC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)CC1 ZINC000579715749 324263795 /nfs/dbraw/zinc/26/37/95/324263795.db2.gz DCABWDMXMJJALN-SNVBAGLBSA-N -1 1 295.339 1.298 20 0 CDADMM O=C1CN(Cc2ncccc2[O-])CN1Cc1ccccc1 ZINC000581217002 324682377 /nfs/dbraw/zinc/68/23/77/324682377.db2.gz AFXKWWOGRVXIOU-UHFFFAOYSA-N -1 1 283.331 1.589 20 0 CDADMM Cc1nsc(C)c1Cn1ccnc1-c1nnn[n-]1 ZINC001592468248 1173896097 /nfs/dbraw/zinc/89/60/97/1173896097.db2.gz IFULCSYSYDHEPH-UHFFFAOYSA-N -1 1 261.314 1.185 20 0 CDADMM Cc1nsc(C)c1Cn1ccnc1-c1nn[n-]n1 ZINC001592468248 1173896101 /nfs/dbraw/zinc/89/61/01/1173896101.db2.gz IFULCSYSYDHEPH-UHFFFAOYSA-N -1 1 261.314 1.185 20 0 CDADMM CN(C)[C@H](CNC(=O)NCCCC(=O)[O-])c1cccs1 ZINC000582962811 325078514 /nfs/dbraw/zinc/07/85/14/325078514.db2.gz QZYCHNSTPIJMME-SNVBAGLBSA-N -1 1 299.396 1.515 20 0 CDADMM O=C([O-])C[C@H]1CCCN(C(=O)c2ccc3cncn3c2)C1 ZINC000583204617 325127812 /nfs/dbraw/zinc/12/78/12/325127812.db2.gz MOIXGBXUWMQWMB-LLVKDONJSA-N -1 1 287.319 1.661 20 0 CDADMM C[C@@H]1CN(C(=O)c2cncc([O-])c2)CC2(CCC2)O1 ZINC000583567208 325201337 /nfs/dbraw/zinc/20/13/37/325201337.db2.gz MSAVEWFSFXNDRP-SNVBAGLBSA-N -1 1 262.309 1.571 20 0 CDADMM Cc1nsc(C)c1COc1cnc(-c2nn[n-]n2)nc1 ZINC001592468918 1173900572 /nfs/dbraw/zinc/90/05/72/1173900572.db2.gz UTHLDNDQBOIQAB-UHFFFAOYSA-N -1 1 289.324 1.309 20 0 CDADMM CCn1ccnc1CNC(=O)c1ccc([O-])cc1F ZINC000385481603 1160441721 /nfs/dbraw/zinc/44/17/21/1160441721.db2.gz OAHJCITVQLAZTC-UHFFFAOYSA-N -1 1 263.272 1.678 20 0 CDADMM COC[C@@H](C)CC(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000674841396 482406928 /nfs/dbraw/zinc/40/69/28/482406928.db2.gz BCSXOZWADPSFFT-GWCFXTLKSA-N -1 1 289.339 1.078 20 0 CDADMM CN(Cc1cn(C)nn1)Cc1cccc([O-])c1Cl ZINC000668603773 482488115 /nfs/dbraw/zinc/48/81/15/482488115.db2.gz JHYNVSUNBDGDDR-UHFFFAOYSA-N -1 1 266.732 1.806 20 0 CDADMM CCN(Cc1cnn(C)c1)C(=O)c1ccc([O-])c(F)c1 ZINC000681032897 482663780 /nfs/dbraw/zinc/66/37/80/482663780.db2.gz XFAQUINDGAGYIO-UHFFFAOYSA-N -1 1 277.299 1.927 20 0 CDADMM O=C(NCCCOC1CCOCC1)c1ccc([O-])c(F)c1 ZINC000681048680 482670759 /nfs/dbraw/zinc/67/07/59/482670759.db2.gz DWMKEUFPENNRNN-UHFFFAOYSA-N -1 1 297.326 1.847 20 0 CDADMM C[C@@H](O)C[C@@H]1COCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681084803 482693988 /nfs/dbraw/zinc/69/39/88/482693988.db2.gz DJBDOYHTNNYGLE-MWLCHTKSSA-N -1 1 283.299 1.143 20 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AWYJYKMRKFZBRE-JTQLQIEISA-N -1 1 267.354 1.757 20 0 CDADMM O=C([O-])CCN1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000821525101 597438462 /nfs/dbraw/zinc/43/84/62/597438462.db2.gz OPYRBDLDTKBSAA-BXKDBHETSA-N -1 1 271.263 1.547 20 0 CDADMM Cc1oc(C(=O)[O-])cc1CN(C)C[C@@H]1CN(C)CCO1 ZINC000707843051 599923762 /nfs/dbraw/zinc/92/37/62/599923762.db2.gz XETAQOQQWOGOAV-LBPRGKRZSA-N -1 1 282.340 1.049 20 0 CDADMM Cn1c2ccccc2nc1CN1CC[C@@H](C(=O)[O-])C1 ZINC000819063739 597535437 /nfs/dbraw/zinc/53/54/37/597535437.db2.gz KEORGIGLDSKODJ-SNVBAGLBSA-N -1 1 259.309 1.480 20 0 CDADMM CO[C@@H](C)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821673880 607320187 /nfs/dbraw/zinc/32/01/87/607320187.db2.gz NPSOYLNPFIDTBU-LURJTMIESA-N -1 1 268.298 1.120 20 0 CDADMM CO[C@@H](C)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821673880 607320188 /nfs/dbraw/zinc/32/01/88/607320188.db2.gz NPSOYLNPFIDTBU-LURJTMIESA-N -1 1 268.298 1.120 20 0 CDADMM O=C([O-])[C@H]1CCCN1C(=O)c1cccc2[nH]cnc21 ZINC000821542811 598208406 /nfs/dbraw/zinc/20/84/06/598208406.db2.gz YBUCPWQBMJKMPM-SNVBAGLBSA-N -1 1 259.265 1.252 20 0 CDADMM O=C([O-])c1cn(CN2CC[C@H](C3CCCCC3)C2)nn1 ZINC001602505829 1175262627 /nfs/dbraw/zinc/26/26/27/1175262627.db2.gz ZXZVAQYQWSPFCA-LBPRGKRZSA-N -1 1 278.356 1.836 20 0 CDADMM Cc1cc(CNc2cccc(-c3nnn[n-]3)n2)on1 ZINC000095321297 599417791 /nfs/dbraw/zinc/41/77/91/599417791.db2.gz FPQJUZYYVHBAJS-UHFFFAOYSA-N -1 1 257.257 1.170 20 0 CDADMM Cc1cc(CNc2cccc(-c3nn[n-]n3)n2)on1 ZINC000095321297 599417794 /nfs/dbraw/zinc/41/77/94/599417794.db2.gz FPQJUZYYVHBAJS-UHFFFAOYSA-N -1 1 257.257 1.170 20 0 CDADMM CN(c1cc(-c2nnn[n-]2)nc2ccccc21)[C@H]1CCOC1 ZINC000821619192 599544801 /nfs/dbraw/zinc/54/48/01/599544801.db2.gz MSQKAZRKEWJHJF-JTQLQIEISA-N -1 1 296.334 1.640 20 0 CDADMM CN(c1cc(-c2nn[n-]n2)nc2ccccc21)[C@H]1CCOC1 ZINC000821619192 599544803 /nfs/dbraw/zinc/54/48/03/599544803.db2.gz MSQKAZRKEWJHJF-JTQLQIEISA-N -1 1 296.334 1.640 20 0 CDADMM C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCC(=O)[O-] ZINC000095758065 600094463 /nfs/dbraw/zinc/09/44/63/600094463.db2.gz WTDJNKSAVVRASP-SNVBAGLBSA-N -1 1 272.345 1.402 20 0 CDADMM CCC[C@@](C)(NCC(=O)N1CCc2ccccc21)C(=O)[O-] ZINC000036808479 600150855 /nfs/dbraw/zinc/15/08/55/600150855.db2.gz OOEVWOUPDUPIPG-MRXNPFEDSA-N -1 1 290.363 1.809 20 0 CDADMM O=C([O-])c1cnoc1COC(=O)c1c(F)cc(O)cc1F ZINC001602546201 1175285546 /nfs/dbraw/zinc/28/55/46/1175285546.db2.gz MQSCQHWTUNFPBX-UHFFFAOYSA-N -1 1 299.185 1.714 20 0 CDADMM CCn1c(C)nnc1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000697353689 600299462 /nfs/dbraw/zinc/29/94/62/600299462.db2.gz KUAFRILNVYUSBC-NSHDSACASA-N -1 1 278.356 1.293 20 0 CDADMM CCC[C@](C)(NCC(=O)N1CCCC[C@H]1C)C(=O)[O-] ZINC000036808644 600461769 /nfs/dbraw/zinc/46/17/69/600461769.db2.gz BOXHNLKFZLIXQM-RISCZKNCSA-N -1 1 270.373 1.620 20 0 CDADMM O=C([O-])[C@@H]1CCN(Cc2nnc(-c3cccc(F)c3)o2)C1 ZINC000819286695 600818115 /nfs/dbraw/zinc/81/81/15/600818115.db2.gz HAZILOYJNAYRMO-SNVBAGLBSA-N -1 1 291.282 1.782 20 0 CDADMM CCOC(=O)[C@H](CC)N1CCC(CC(=O)[O-])CC1 ZINC000829823571 600819350 /nfs/dbraw/zinc/81/93/50/600819350.db2.gz XVPUTKFUSUUOPX-NSHDSACASA-N -1 1 257.330 1.515 20 0 CDADMM O=C([O-])c1n[nH]c2c1CN(C[C@@H]1CCC=CO1)CC2 ZINC001602567583 1175299932 /nfs/dbraw/zinc/29/99/32/1175299932.db2.gz RYYIFHIEXWDLBA-VIFPVBQESA-N -1 1 263.297 1.159 20 0 CDADMM CC(C)CN(C(=O)CN[C@@](C)(C(=O)[O-])C1CC1)C1CC1 ZINC000826865588 601032055 /nfs/dbraw/zinc/03/20/55/601032055.db2.gz RNRKOOMFHDIAEW-OAHLLOKOSA-N -1 1 282.384 1.476 20 0 CDADMM CC(C)N(CCC(=O)[O-])CC(=O)Nc1nc(C2CC2)no1 ZINC000826946632 601055393 /nfs/dbraw/zinc/05/53/93/601055393.db2.gz HDINXUCYRGUTJR-UHFFFAOYSA-N -1 1 296.327 1.071 20 0 CDADMM Cc1oc(CN(C)[C@@H]2CCCOC2)cc1C(=O)[O-] ZINC000402219175 601144513 /nfs/dbraw/zinc/14/45/13/601144513.db2.gz OAYYVJSESATSMG-SNVBAGLBSA-N -1 1 253.298 1.897 20 0 CDADMM Cc1cccc(CNC(=O)CN[C@](C)(C(=O)[O-])C2CC2)c1 ZINC000832966939 601174035 /nfs/dbraw/zinc/17/40/35/601174035.db2.gz HGRHJWVPKCJWEM-INIZCTEOSA-N -1 1 290.363 1.454 20 0 CDADMM CCc1oc(C(=O)[O-])cc1CN(C)C[C@@H]1CN(C)CCO1 ZINC000830355266 601416991 /nfs/dbraw/zinc/41/69/91/601416991.db2.gz GMQFYBPAEARGCU-LBPRGKRZSA-N -1 1 296.367 1.303 20 0 CDADMM O=C([O-])CC[N@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000833236774 601431490 /nfs/dbraw/zinc/43/14/90/601431490.db2.gz ZSNJDRCKOHONKR-NWDGAFQWSA-N -1 1 269.341 1.817 20 0 CDADMM COC[C@@](C)(CC(=O)OC)NCc1ccc(C(=O)[O-])o1 ZINC000831591230 601489176 /nfs/dbraw/zinc/48/91/76/601489176.db2.gz SINAGFRKDIBGCA-CYBMUJFWSA-N -1 1 285.296 1.036 20 0 CDADMM C[C@@H]1C[C@H](NC(=O)c2ccc(C(=O)[O-])s2)CN1C1CC1 ZINC000828185176 601506850 /nfs/dbraw/zinc/50/68/50/601506850.db2.gz VQXSRMMJIHHYAW-BDAKNGLRSA-N -1 1 294.376 1.801 20 0 CDADMM C[C@@H]1CN([C@H](C(N)=O)c2ccc(F)cc2)C[C@@H]1C(=O)[O-] ZINC000828410324 601529531 /nfs/dbraw/zinc/52/95/31/601529531.db2.gz ANUHKIWTARUKGW-ZHAHWJHGSA-N -1 1 280.299 1.005 20 0 CDADMM COC(=O)c1occc1CN1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000831470024 601534537 /nfs/dbraw/zinc/53/45/37/601534537.db2.gz CCLWRNAKRQQYGM-SCZZXKLOSA-N -1 1 267.281 1.219 20 0 CDADMM Cc1cc(CC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)n[nH]1 ZINC000832884479 601610222 /nfs/dbraw/zinc/61/02/22/601610222.db2.gz ZXACJHWFSFWTMN-CYBMUJFWSA-N -1 1 292.266 1.769 20 0 CDADMM Nc1cc(N)nc(SCc2ccc(C(=O)[O-])c(F)c2)n1 ZINC000236342186 601621866 /nfs/dbraw/zinc/62/18/66/601621866.db2.gz KOIGPBOKEYAPCB-UHFFFAOYSA-N -1 1 294.311 1.771 20 0 CDADMM CCCCN(CCO)CC(=O)Nc1ccccc1C(=O)[O-] ZINC000829389888 601681495 /nfs/dbraw/zinc/68/14/95/601681495.db2.gz WUABNOSCTGBARX-UHFFFAOYSA-N -1 1 294.351 1.418 20 0 CDADMM C[C@H]1CN(C(=O)c2cccc3n[nH]cc32)C[C@H]1C(=O)[O-] ZINC000828404119 601756588 /nfs/dbraw/zinc/75/65/88/601756588.db2.gz XVOXKXVCBNOXQT-GZMMTYOYSA-N -1 1 273.292 1.356 20 0 CDADMM Cc1ccc2oc(=O)n(CN3C[C@H](C)[C@H](C(=O)[O-])C3)c2c1 ZINC000832960129 601820007 /nfs/dbraw/zinc/82/00/07/601820007.db2.gz MIDYALRQULRNCL-WDEREUQCSA-N -1 1 290.319 1.513 20 0 CDADMM CCc1oc(C(=O)[O-])cc1CN1CCSC[C@@H]1CCO 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CN(C)CC(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000830596422 604352611 /nfs/dbraw/zinc/35/26/11/604352611.db2.gz MDVVEGKLYUBELW-UHFFFAOYSA-N -1 1 278.352 1.442 20 0 CDADMM O=C([O-])c1cccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)n1 ZINC000833328452 604426213 /nfs/dbraw/zinc/42/62/13/604426213.db2.gz NIBKMLWNPCYXKS-SECBINFHSA-N -1 1 286.291 1.310 20 0 CDADMM CCCc1cc(C(=O)N(C)[C@@H](COC(C)C)C(=O)[O-])n[nH]1 ZINC000829562823 604451220 /nfs/dbraw/zinc/45/12/20/604451220.db2.gz ZRKSFSWKJXCGOV-LBPRGKRZSA-N -1 1 297.355 1.312 20 0 CDADMM C/C(=C\CN1C[C@H](O)C[C@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000833385898 604645037 /nfs/dbraw/zinc/64/50/37/604645037.db2.gz XWHKLDWMMVCOML-BBVLPBNKSA-N -1 1 279.311 1.964 20 0 CDADMM Cc1nnc(COC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)[nH]1 ZINC000832999103 604669497 /nfs/dbraw/zinc/66/94/97/604669497.db2.gz CWIHLYILNTVISJ-BDAKNGLRSA-N -1 1 267.285 1.047 20 0 CDADMM COC[C@@](C)(CC(=O)[O-])NCc1csc(C2CC2)n1 ZINC000833722121 604766537 /nfs/dbraw/zinc/76/65/37/604766537.db2.gz KCCNXAKONJFXNM-CYBMUJFWSA-N -1 1 284.381 1.990 20 0 CDADMM C[C@]1(C(=O)[O-])CCN(CN2Cc3ccc(F)cc3C2=O)C1 ZINC000833553977 604861059 /nfs/dbraw/zinc/86/10/59/604861059.db2.gz JWNWMVWYYPJKNY-HNNXBMFYSA-N -1 1 292.310 1.536 20 0 CDADMM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cnc[nH]2)C1 ZINC000134976107 604894227 /nfs/dbraw/zinc/89/42/27/604894227.db2.gz PXFZDCIKZOUONX-VIFPVBQESA-N -1 1 265.313 1.373 20 0 CDADMM CC[C@@H](C)OCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825075238 607724949 /nfs/dbraw/zinc/72/49/49/607724949.db2.gz NMCZTTBWYHTQHZ-SECBINFHSA-N -1 1 291.311 1.120 20 0 CDADMM CC[C@@H](C)OCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825075238 607724951 /nfs/dbraw/zinc/72/49/51/607724951.db2.gz NMCZTTBWYHTQHZ-SECBINFHSA-N -1 1 291.311 1.120 20 0 CDADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CCc2cn[nH]c2C1 ZINC000833546332 605049516 /nfs/dbraw/zinc/04/95/16/605049516.db2.gz FNOUMBFJYXVPPA-MRVPVSSYSA-N -1 1 261.281 1.820 20 0 CDADMM CCN1C[C@H](C)N(C(=O)C2CCC(C(=O)[O-])CC2)C[C@@H]1C ZINC000833658758 605091501 /nfs/dbraw/zinc/09/15/01/605091501.db2.gz VDMJSUWLJAOJPW-FEPKRQSRSA-N -1 1 296.411 1.819 20 0 CDADMM CCN1C[C@@H](C)N(C(=O)c2cccc(C(=O)[O-])n2)C[C@H]1C ZINC000833658379 605133996 /nfs/dbraw/zinc/13/39/96/605133996.db2.gz SCUANPSBHOKBFX-GHMZBOCLSA-N -1 1 291.351 1.335 20 0 CDADMM CNC(=O)[C@H](NCc1ccc(C(=O)[O-])cc1F)C(C)C ZINC000833699207 605140461 /nfs/dbraw/zinc/14/04/61/605140461.db2.gz IROJPSDKBRGQMC-GFCCVEGCSA-N -1 1 282.315 1.384 20 0 CDADMM CC1=C(C(=O)[O-])C[C@@H](CN(C)Cc2ccoc2)O1 ZINC000833585361 605324798 /nfs/dbraw/zinc/32/47/98/605324798.db2.gz WPYKKWCBWNBTOM-NSHDSACASA-N -1 1 251.282 1.859 20 0 CDADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCCC[C@H]2C2OCCO2)O1 ZINC000833586581 605328987 /nfs/dbraw/zinc/32/89/87/605328987.db2.gz YWIZEHZMMHWCCP-AAEUAGOBSA-N -1 1 297.351 1.361 20 0 CDADMM CC1=C(C(=O)[O-])C[C@@H](CN(C)Cc2cccnc2)O1 ZINC000833584796 605376548 /nfs/dbraw/zinc/37/65/48/605376548.db2.gz RAGUCNUKLVPIKW-LBPRGKRZSA-N -1 1 262.309 1.661 20 0 CDADMM CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000824211346 605774232 /nfs/dbraw/zinc/77/42/32/605774232.db2.gz OYBZTADQITUWIB-LOWVWBTDSA-N -1 1 297.399 1.410 20 0 CDADMM Cc1cc(C[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[O-])n[nH]1 ZINC000830029551 605805747 /nfs/dbraw/zinc/80/57/47/605805747.db2.gz HVKQCWPIKXCFIR-CABZTGNLSA-N -1 1 296.371 1.448 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000823742482 606106314 /nfs/dbraw/zinc/10/63/14/606106314.db2.gz HCKQUSUKQWEYHO-PHIMTYICSA-N -1 1 270.340 1.888 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000823742482 606106312 /nfs/dbraw/zinc/10/63/12/606106312.db2.gz HCKQUSUKQWEYHO-PHIMTYICSA-N -1 1 270.340 1.888 20 0 CDADMM c1nc(CCNc2cccc(-c3nnn[n-]3)n2)cs1 ZINC000095147447 606123901 /nfs/dbraw/zinc/12/39/01/606123901.db2.gz NJCLMDCAQAPNOY-UHFFFAOYSA-N -1 1 273.325 1.373 20 0 CDADMM c1nc(CCNc2cccc(-c3nn[n-]n3)n2)cs1 ZINC000095147447 606123903 /nfs/dbraw/zinc/12/39/03/606123903.db2.gz NJCLMDCAQAPNOY-UHFFFAOYSA-N -1 1 273.325 1.373 20 0 CDADMM C[C@@H]1CCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820726935 606460415 /nfs/dbraw/zinc/46/04/15/606460415.db2.gz DIOJYKBJYCLTFC-ZCFIWIBFSA-N -1 1 250.693 1.514 20 0 CDADMM C[C@@H]1CCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820726935 606460417 /nfs/dbraw/zinc/46/04/17/606460417.db2.gz DIOJYKBJYCLTFC-ZCFIWIBFSA-N -1 1 250.693 1.514 20 0 CDADMM CC[C@@H](COC)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820915187 606466693 /nfs/dbraw/zinc/46/66/93/606466693.db2.gz SSSVQUWSCUQKKX-ZETCQYMHSA-N -1 1 282.735 1.752 20 0 CDADMM CC[C@@H](COC)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820915187 606466695 /nfs/dbraw/zinc/46/66/95/606466695.db2.gz SSSVQUWSCUQKKX-ZETCQYMHSA-N -1 1 282.735 1.752 20 0 CDADMM O=C(NCc1ccco1)c1ccc(-c2nnn[n-]2)s1 ZINC000823261123 606486182 /nfs/dbraw/zinc/48/61/82/606486182.db2.gz BIOHPFGBLDWZJU-UHFFFAOYSA-N -1 1 275.293 1.451 20 0 CDADMM O=C(NCc1ccco1)c1ccc(-c2nn[n-]n2)s1 ZINC000823261123 606486183 /nfs/dbraw/zinc/48/61/83/606486183.db2.gz BIOHPFGBLDWZJU-UHFFFAOYSA-N -1 1 275.293 1.451 20 0 CDADMM CN(Cc1ccoc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821615580 606531589 /nfs/dbraw/zinc/53/15/89/606531589.db2.gz DBESQZOINOXNCQ-UHFFFAOYSA-N -1 1 289.320 1.793 20 0 CDADMM CN(Cc1ccoc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821615580 606531591 /nfs/dbraw/zinc/53/15/91/606531591.db2.gz DBESQZOINOXNCQ-UHFFFAOYSA-N -1 1 289.320 1.793 20 0 CDADMM C[C@H](CC(=O)OCc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC000820225868 606648473 /nfs/dbraw/zinc/64/84/73/606648473.db2.gz QWVWCCRPLRPMMO-SECBINFHSA-N -1 1 287.323 1.741 20 0 CDADMM C[C@H](CC(=O)OCc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC000820225868 606648474 /nfs/dbraw/zinc/64/84/74/606648474.db2.gz QWVWCCRPLRPMMO-SECBINFHSA-N -1 1 287.323 1.741 20 0 CDADMM CC(C)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820037315 606688589 /nfs/dbraw/zinc/68/85/89/606688589.db2.gz CEACICJCSHPZFB-LLVKDONJSA-N -1 1 286.339 1.380 20 0 CDADMM CC(C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820037315 606688590 /nfs/dbraw/zinc/68/85/90/606688590.db2.gz CEACICJCSHPZFB-LLVKDONJSA-N -1 1 286.339 1.380 20 0 CDADMM C[C@@H]1CC(CCn2cnc(-c3nn[n-]n3)n2)C[C@@H](C)C1 ZINC000820649126 606792211 /nfs/dbraw/zinc/79/22/11/606792211.db2.gz IUVPQWGLLICISX-UWVGGRQHSA-N -1 1 275.360 1.921 20 0 CDADMM CC(C)C[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000820067504 607043906 /nfs/dbraw/zinc/04/39/06/607043906.db2.gz JMWBLWURUUIVQY-NSHDSACASA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)C[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000820067504 607043907 /nfs/dbraw/zinc/04/39/07/607043907.db2.gz JMWBLWURUUIVQY-NSHDSACASA-N -1 1 287.371 1.919 20 0 CDADMM Oc1cccc(CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826511326 607897728 /nfs/dbraw/zinc/89/77/28/607897728.db2.gz LEQGAVZHYOLGHN-UHFFFAOYSA-N -1 1 268.280 1.579 20 0 CDADMM Oc1cccc(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826511326 607897729 /nfs/dbraw/zinc/89/77/29/607897729.db2.gz LEQGAVZHYOLGHN-UHFFFAOYSA-N -1 1 268.280 1.579 20 0 CDADMM CCn1nc(C)c(Nc2cccc(-c3nnn[n-]3)n2)c1C ZINC000825807848 607900785 /nfs/dbraw/zinc/90/07/85/607900785.db2.gz WXIGEVPJRNJDFX-UHFFFAOYSA-N -1 1 284.327 1.839 20 0 CDADMM CCn1nc(C)c(Nc2cccc(-c3nn[n-]n3)n2)c1C ZINC000825807848 607900786 /nfs/dbraw/zinc/90/07/86/607900786.db2.gz WXIGEVPJRNJDFX-UHFFFAOYSA-N -1 1 284.327 1.839 20 0 CDADMM CCOC(=O)C[C@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000825499917 607902063 /nfs/dbraw/zinc/90/20/63/607902063.db2.gz XQGUCWWSTIILMO-QMMMGPOBSA-N -1 1 276.300 1.015 20 0 CDADMM CCOC(=O)C[C@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000825499917 607902062 /nfs/dbraw/zinc/90/20/62/607902062.db2.gz XQGUCWWSTIILMO-QMMMGPOBSA-N -1 1 276.300 1.015 20 0 CDADMM C[C@@H]1C[C@H](C)CN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824875599 607987324 /nfs/dbraw/zinc/98/73/24/607987324.db2.gz NOHRUMYOHLZGKG-DTORHVGOSA-N -1 1 259.317 1.139 20 0 CDADMM C[C@@H]1C[C@H](C)CN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824875599 607987325 /nfs/dbraw/zinc/98/73/25/607987325.db2.gz NOHRUMYOHLZGKG-DTORHVGOSA-N -1 1 259.317 1.139 20 0 CDADMM Cn1cccc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826363300 607997526 /nfs/dbraw/zinc/99/75/26/607997526.db2.gz GNUQKRUBOHTRIR-UHFFFAOYSA-N -1 1 284.279 1.163 20 0 CDADMM CC(C)=C(C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824178408 607999132 /nfs/dbraw/zinc/99/91/32/607999132.db2.gz ROIGJJVLKVTMIR-UHFFFAOYSA-N -1 1 273.296 1.867 20 0 CDADMM C[C@@H]1CCCC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824938171 608387910 /nfs/dbraw/zinc/38/79/10/608387910.db2.gz UFMUZDXCAUKRHG-BDAKNGLRSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@@H]1CCCC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824938171 608387912 /nfs/dbraw/zinc/38/79/12/608387912.db2.gz UFMUZDXCAUKRHG-BDAKNGLRSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC000824429830 608389612 /nfs/dbraw/zinc/38/96/12/608389612.db2.gz ZCCRKIFIRCDEQD-SNVBAGLBSA-N -1 1 281.323 1.872 20 0 CDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC000824429830 608389613 /nfs/dbraw/zinc/38/96/13/608389613.db2.gz ZCCRKIFIRCDEQD-SNVBAGLBSA-N -1 1 281.323 1.872 20 0 CDADMM ClC1(Cl)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826350232 608390845 /nfs/dbraw/zinc/39/08/45/608390845.db2.gz NDQQGXIICHFZLO-RXMQYKEDSA-N -1 1 286.126 1.262 20 0 CDADMM ClC1(Cl)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826350232 608390847 /nfs/dbraw/zinc/39/08/47/608390847.db2.gz NDQQGXIICHFZLO-RXMQYKEDSA-N -1 1 286.126 1.262 20 0 CDADMM C[C@H]1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824928205 608396463 /nfs/dbraw/zinc/39/64/63/608396463.db2.gz SGJCDATZDDGEKU-UWVGGRQHSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@H]1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824928205 608396465 /nfs/dbraw/zinc/39/64/65/608396465.db2.gz SGJCDATZDDGEKU-UWVGGRQHSA-N -1 1 273.344 1.672 20 0 CDADMM Fc1ccc(F)c(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826374943 608413941 /nfs/dbraw/zinc/41/39/41/608413941.db2.gz SRSUHEDABBDGLA-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM Fc1ccc(F)c(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826374943 608413943 /nfs/dbraw/zinc/41/39/43/608413943.db2.gz SRSUHEDABBDGLA-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM Cc1ccc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)o1 ZINC000826285643 608420421 /nfs/dbraw/zinc/42/04/21/608420421.db2.gz FSUPCGAKXIUJNC-LLVKDONJSA-N -1 1 297.322 1.900 20 0 CDADMM Cc1ccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)o1 ZINC000826285643 608420422 /nfs/dbraw/zinc/42/04/22/608420422.db2.gz FSUPCGAKXIUJNC-LLVKDONJSA-N -1 1 297.322 1.900 20 0 CDADMM c1ccc(C[C@H]2C[C@@H]2Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826520783 608423913 /nfs/dbraw/zinc/42/39/13/608423913.db2.gz RCHKZAHJADXINF-AAEUAGOBSA-N -1 1 293.334 1.700 20 0 CDADMM c1ccc(C[C@H]2C[C@@H]2Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826520783 608423915 /nfs/dbraw/zinc/42/39/15/608423915.db2.gz RCHKZAHJADXINF-AAEUAGOBSA-N -1 1 293.334 1.700 20 0 CDADMM CC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC000825213209 608512197 /nfs/dbraw/zinc/51/21/97/608512197.db2.gz WWOQBXZFDPIFHE-SECBINFHSA-N -1 1 263.301 1.071 20 0 CDADMM CC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC000825213209 608512199 /nfs/dbraw/zinc/51/21/99/608512199.db2.gz WWOQBXZFDPIFHE-SECBINFHSA-N -1 1 263.301 1.071 20 0 CDADMM Clc1ccccc1CCCn1cnc(-c2nn[n-]n2)n1 ZINC000826353339 609486592 /nfs/dbraw/zinc/48/65/92/609486592.db2.gz LHPYLZCMBQYGQZ-UHFFFAOYSA-N -1 1 289.730 1.744 20 0 CDADMM O=C(NCC[C@H](O)C1CC1)c1ncc2ccccc2c1[O-] ZINC000890716298 617300930 /nfs/dbraw/zinc/30/09/30/617300930.db2.gz FVHLXGIRYPMYQU-ZDUSSCGKSA-N -1 1 286.331 1.831 20 0 CDADMM O=C(N[C@H]1COC[C@H]1C1CC1)c1c([O-])cccc1F ZINC000891051153 617356963 /nfs/dbraw/zinc/35/69/63/617356963.db2.gz UPZJDALGYYTJON-ONGXEEELSA-N -1 1 265.284 1.686 20 0 CDADMM COCc1nc(NCCCn2nc(C)cc2C)cc(=O)[n-]1 ZINC000891469396 617426583 /nfs/dbraw/zinc/42/65/83/617426583.db2.gz HBDVZLHJBMTYQP-UHFFFAOYSA-N -1 1 291.355 1.644 20 0 CDADMM CC(=O)NC[C@@H]1[C@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC000945756326 613818583 /nfs/dbraw/zinc/81/85/83/613818583.db2.gz KLGVYQLQPLZBRR-ZYHUDNBSSA-N -1 1 291.351 1.164 20 0 CDADMM COCc1nc(NCCc2ccccc2OC)cc(=O)[n-]1 ZINC000891507561 617451228 /nfs/dbraw/zinc/45/12/28/617451228.db2.gz HDCAMTXVGFAHCH-UHFFFAOYSA-N -1 1 289.335 1.992 20 0 CDADMM C[C@@H]1C[C@@H](C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CO1 ZINC000891616970 617505942 /nfs/dbraw/zinc/50/59/42/617505942.db2.gz CNBLXESTGOVBBD-RKDXNWHRSA-N -1 1 277.324 1.425 20 0 CDADMM C[C@@H]1C[C@@H](C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CCO1 ZINC000891618323 617507112 /nfs/dbraw/zinc/50/71/12/617507112.db2.gz OYLUKKUXMCKUBL-ZJUUUORDSA-N -1 1 291.351 1.815 20 0 CDADMM COCc1nc(N2CCC(c3cn[nH]c3)CC2)cc(=O)[n-]1 ZINC000892211977 617554879 /nfs/dbraw/zinc/55/48/79/617554879.db2.gz PZUWENLBNWHSHE-UHFFFAOYSA-N -1 1 289.339 1.436 20 0 CDADMM COCc1nc(NCc2cccc3c2OCO3)cc(=O)[n-]1 ZINC000891955922 617835266 /nfs/dbraw/zinc/83/52/66/617835266.db2.gz PBENWFQLVOXDKA-UHFFFAOYSA-N -1 1 289.291 1.669 20 0 CDADMM COCc1nc(N[C@@H]2CCOC[C@H]2C)cc(=O)[n-]1 ZINC000893499818 617998166 /nfs/dbraw/zinc/99/81/66/617998166.db2.gz DVOZCLXCAGJMFK-RKDXNWHRSA-N -1 1 253.302 1.166 20 0 CDADMM C[C@@H]1CCC[C@@H](CNC(=O)CN2CCC[C@H](C(=O)[O-])C2)C1 ZINC000909400816 618083714 /nfs/dbraw/zinc/08/37/14/618083714.db2.gz KWAOOLCDCYOSJT-MCIONIFRSA-N -1 1 296.411 1.726 20 0 CDADMM Cc1occc1CN(C)C(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000909400754 618084045 /nfs/dbraw/zinc/08/40/45/618084045.db2.gz JDOGRUMRKNBUAD-ZDUSSCGKSA-N -1 1 294.351 1.343 20 0 CDADMM COCc1nc(N2CCC(OC(C)C)CC2)cc(=O)[n-]1 ZINC000892401777 618153472 /nfs/dbraw/zinc/15/34/72/618153472.db2.gz NNAQUDOYIYYAID-UHFFFAOYSA-N -1 1 281.356 1.722 20 0 CDADMM O=C([O-])[C@H](CC(F)(F)F)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000909672461 620788727 /nfs/dbraw/zinc/78/87/27/620788727.db2.gz LYAOHFGVNFRCLT-QYNIQEEDSA-N -1 1 291.229 1.035 20 0 CDADMM CN(C)CC(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC000910582373 618288777 /nfs/dbraw/zinc/28/87/77/618288777.db2.gz UEQSXHQLELAYBL-LBPRGKRZSA-N -1 1 290.319 1.106 20 0 CDADMM O=C(c1c(F)ccc([O-])c1F)N1CCC(=O)N2CCC[C@H]21 ZINC000888165270 620801977 /nfs/dbraw/zinc/80/19/77/620801977.db2.gz DTFHSTLVNKRBRR-SNVBAGLBSA-N -1 1 296.273 1.465 20 0 CDADMM COc1ncc(CN(C[C@H](C)C(=O)[O-])C2CC2)s1 ZINC000901993351 618435245 /nfs/dbraw/zinc/43/52/45/618435245.db2.gz QRYNMCKPYPMKMW-QMMMGPOBSA-N -1 1 270.354 1.837 20 0 CDADMM CC(C)[C@H](CNC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C)C(=O)[O-] ZINC000902026108 618467903 /nfs/dbraw/zinc/46/79/03/618467903.db2.gz JDNUDEJKFMLNTB-KWBADKCTSA-N -1 1 293.367 1.549 20 0 CDADMM C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)NC1(CC(=O)[O-])CCC1 ZINC000902003405 618477896 /nfs/dbraw/zinc/47/78/96/618477896.db2.gz ABSLAQACCMSPNO-ZANVPECISA-N -1 1 291.351 1.589 20 0 CDADMM CC1CCN(CC(=O)N[C@H](C(=O)[O-])C2CCCCC2)CC1 ZINC000828284862 618617155 /nfs/dbraw/zinc/61/71/55/618617155.db2.gz ISSWTENRZFNDJZ-HNNXBMFYSA-N -1 1 296.411 1.868 20 0 CDADMM C[C@H]1CN(Cc2nnc3n2CCCCC3)C[C@H]1C(=O)[O-] ZINC000828463437 618622887 /nfs/dbraw/zinc/62/28/87/618622887.db2.gz PLJLCQRZQSIKKC-WDEREUQCSA-N -1 1 278.356 1.157 20 0 CDADMM COCc1nc(N2C[C@@H]3C[C@H]2CS3)cc(=O)[n-]1 ZINC000894171535 618654245 /nfs/dbraw/zinc/65/42/45/618654245.db2.gz 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O=C(COC(=O)c1ccccc1)[N-]C(=O)c1ccccc1 ZINC000003398524 631807484 /nfs/dbraw/zinc/80/74/84/631807484.db2.gz FBVNQRRNLMEIEY-UHFFFAOYSA-N -1 1 283.283 1.800 20 0 CDADMM Cc1ccccc1CN(C)C(=O)CN[C@@H](C(=O)[O-])C(C)C ZINC000035391877 632086687 /nfs/dbraw/zinc/08/66/87/632086687.db2.gz AHEMQIZAFNHRPI-OAHLLOKOSA-N -1 1 292.379 1.652 20 0 CDADMM Cc1[n-]n(-c2ccc(S(C)(=O)=O)cc2)c(=O)c1F ZINC000917345874 632198768 /nfs/dbraw/zinc/19/87/68/632198768.db2.gz OJFFBILAGBQLIB-SNVBAGLBSA-N -1 1 270.285 1.151 20 0 CDADMM Cc1cc(S(=O)(=O)[N-]C(C)(C)c2ncc[nH]2)sn1 ZINC000919419920 632585922 /nfs/dbraw/zinc/58/59/22/632585922.db2.gz NSOUMZMHFSSUHZ-UHFFFAOYSA-N -1 1 286.382 1.388 20 0 CDADMM CCC[C@](C)(NCC(=O)Nc1ccc(Cl)cn1)C(=O)[O-] ZINC000736963771 633228093 /nfs/dbraw/zinc/22/80/93/633228093.db2.gz LTNKTTRVGGFVKX-ZDUSSCGKSA-N -1 1 299.758 1.907 20 0 CDADMM Nc1cccc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)c1 ZINC001170217311 1162302443 /nfs/dbraw/zinc/30/24/43/1162302443.db2.gz BREIEZJPWRRLOI-UHFFFAOYSA-N -1 1 258.241 1.042 20 0 CDADMM O=c1[n-]c2nc(=O)[nH]c(Nc3cnc4c(c3)CCC4)c2[nH]1 ZINC001170220347 1162304092 /nfs/dbraw/zinc/30/40/92/1162304092.db2.gz WHFUZMAYCMWGKU-UHFFFAOYSA-N -1 1 284.279 1.343 20 0 CDADMM Cc1ccc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)c(F)n1 ZINC001170220334 1162304609 /nfs/dbraw/zinc/30/46/09/1162304609.db2.gz VKMNBHMXZCTGJE-UHFFFAOYSA-N -1 1 276.231 1.302 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2cnc(Cl)cn2)[n-]1 ZINC001170232276 1162308643 /nfs/dbraw/zinc/30/86/43/1162308643.db2.gz HAVRPKXPTFSVEG-UHFFFAOYSA-N -1 1 263.648 1.246 20 0 CDADMM Cc1c(Cl)ncnc1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170224394 1162314720 /nfs/dbraw/zinc/31/47/20/1162314720.db2.gz YJZONUFQVPMIKK-UHFFFAOYSA-N -1 1 277.675 1.554 20 0 CDADMM Nc1noc2cc(Nc3[n-]c(=O)nc4nc[nH]c43)ccc12 ZINC001170228833 1162318046 /nfs/dbraw/zinc/31/80/46/1162318046.db2.gz KEZJAHRKYKKPBJ-UHFFFAOYSA-N -1 1 283.251 1.526 20 0 CDADMM O=C(Nc1ccc(C2(O)COC2)cc1)c1ccccc1[O-] ZINC000807871006 1162788172 /nfs/dbraw/zinc/78/81/72/1162788172.db2.gz PEZKULXJCRGNQS-UHFFFAOYSA-N -1 1 285.299 1.862 20 0 CDADMM CCC[C@H](O)CCCSc1nccnc1-c1nn[nH]n1 ZINC001604148382 1163107253 /nfs/dbraw/zinc/10/72/53/1163107253.db2.gz ZNWCLHKJFBVPBA-VIFPVBQESA-N -1 1 294.384 1.690 20 0 CDADMM CCC[C@H](O)CCCSc1nccnc1-c1nn[n-]n1 ZINC001604148382 1163107258 /nfs/dbraw/zinc/10/72/58/1163107258.db2.gz ZNWCLHKJFBVPBA-VIFPVBQESA-N -1 1 294.384 1.690 20 0 CDADMM CCCC[C@@](C)(F)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001604159892 1163112827 /nfs/dbraw/zinc/11/28/27/1163112827.db2.gz OCFBRDIBGMPRTA-LLVKDONJSA-N -1 1 281.295 1.447 20 0 CDADMM CCCC[C@@](C)(F)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001604159892 1163112830 /nfs/dbraw/zinc/11/28/30/1163112830.db2.gz OCFBRDIBGMPRTA-LLVKDONJSA-N -1 1 281.295 1.447 20 0 CDADMM CCCCCNC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001604180254 1163117056 /nfs/dbraw/zinc/11/70/56/1163117056.db2.gz MSWNZKJQLHWJQW-UHFFFAOYSA-N -1 1 294.384 1.918 20 0 CDADMM CCCCOC(=O)CSc1ccnc(-c2nnn[n-]2)c1 ZINC001604184995 1163119116 /nfs/dbraw/zinc/11/91/16/1163119116.db2.gz DLZIDPZJFGLQRN-UHFFFAOYSA-N -1 1 293.352 1.697 20 0 CDADMM CCCCOC(=O)CSc1ccnc(-c2nn[n-]n2)c1 ZINC001604184995 1163119119 /nfs/dbraw/zinc/11/91/19/1163119119.db2.gz DLZIDPZJFGLQRN-UHFFFAOYSA-N -1 1 293.352 1.697 20 0 CDADMM CCN(CC1CCC1)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001604288572 1163143154 /nfs/dbraw/zinc/14/31/54/1163143154.db2.gz ILDRKCNIYUMGFK-UHFFFAOYSA-N -1 1 286.339 1.524 20 0 CDADMM CCN(CC1CCC1)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001604288572 1163143157 /nfs/dbraw/zinc/14/31/57/1163143157.db2.gz ILDRKCNIYUMGFK-UHFFFAOYSA-N -1 1 286.339 1.524 20 0 CDADMM CCN(Cc1cccc(-c2nnn[n-]2)n1)CC(F)F ZINC001604323779 1163149662 /nfs/dbraw/zinc/14/96/62/1163149662.db2.gz YJTAFGQMZZVPPV-UHFFFAOYSA-N -1 1 268.271 1.349 20 0 CDADMM CCN(Cc1cccc(-c2nn[n-]n2)n1)CC(F)F ZINC001604323779 1163149667 /nfs/dbraw/zinc/14/96/67/1163149667.db2.gz YJTAFGQMZZVPPV-UHFFFAOYSA-N -1 1 268.271 1.349 20 0 CDADMM CCOC(=O)CN(CC)Cc1csc(-c2nn[n-]n2)c1 ZINC001604376406 1163167820 /nfs/dbraw/zinc/16/78/20/1163167820.db2.gz XBDNILLXHBTGSL-UHFFFAOYSA-N -1 1 295.368 1.313 20 0 CDADMM Cn1[n-]c(CN2Cc3ccccc3C3(CCC3)C2)nc1=O ZINC000335310308 1161455296 /nfs/dbraw/zinc/45/52/96/1161455296.db2.gz NEDVNZDDFGUDHQ-UHFFFAOYSA-N -1 1 284.363 1.546 20 0 CDADMM CCO[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001604412601 1163181144 /nfs/dbraw/zinc/18/11/44/1163181144.db2.gz WMWDZUKFSHAHRE-SECBINFHSA-N -1 1 294.384 1.637 20 0 CDADMM C[C@@H](c1csnn1)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001604475518 1163194521 /nfs/dbraw/zinc/19/45/21/1163194521.db2.gz LYEJDAAMWVEJJK-HOTUBEGUSA-N -1 1 283.353 1.022 20 0 CDADMM C[C@@]1(C(=O)[O-])CCCN(Cc2ncccc2F)C1 ZINC001604496076 1163208142 /nfs/dbraw/zinc/20/81/42/1163208142.db2.gz DQMQYESRZXULRK-CYBMUJFWSA-N -1 1 252.289 1.907 20 0 CDADMM CCc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)nc1 ZINC001604525074 1163217765 /nfs/dbraw/zinc/21/77/65/1163217765.db2.gz UEGGIJWUVSJTOX-UHFFFAOYSA-N -1 1 295.306 1.471 20 0 CDADMM CCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)nc1 ZINC001604525074 1163217769 /nfs/dbraw/zinc/21/77/69/1163217769.db2.gz UEGGIJWUVSJTOX-UHFFFAOYSA-N -1 1 295.306 1.471 20 0 CDADMM CCc1nc(NCc2cnccc2C)cc(-c2nnn[n-]2)n1 ZINC001604569638 1163233449 /nfs/dbraw/zinc/23/34/49/1163233449.db2.gz CRTMQIGZEGWRTF-UHFFFAOYSA-N -1 1 296.338 1.535 20 0 CDADMM CCc1nc(NCc2cnccc2C)cc(-c2nn[n-]n2)n1 ZINC001604569638 1163233457 /nfs/dbraw/zinc/23/34/57/1163233457.db2.gz CRTMQIGZEGWRTF-UHFFFAOYSA-N -1 1 296.338 1.535 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CN2C[C@@H](C)O[C@@]3(CCOC3)C2)O1 ZINC001604610022 1163246837 /nfs/dbraw/zinc/24/68/37/1163246837.db2.gz KVBXLZHOHGUFQM-HCKVZZMMSA-N -1 1 297.351 1.014 20 0 CDADMM C[C@@H]1[C@H](C(=O)[O-])CCN1CC(=O)c1cccn1C ZINC001604638672 1163262604 /nfs/dbraw/zinc/26/26/04/1163262604.db2.gz YJRJFSLSFBTGQC-NXEZZACHSA-N -1 1 250.298 1.003 20 0 CDADMM CO[C@@H](C)Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001605005663 1163412481 /nfs/dbraw/zinc/41/24/81/1163412481.db2.gz PLQGEWIPRMZMMI-VIFPVBQESA-N -1 1 285.307 1.217 20 0 CDADMM CO[C@H]1CC[C@H](OC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC001605028370 1163423484 /nfs/dbraw/zinc/42/34/84/1163423484.db2.gz CMKHCYOGMAPFLO-YUMQZZPRSA-N -1 1 294.336 1.653 20 0 CDADMM COC/C(C)=C/COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001605045058 1163429355 /nfs/dbraw/zinc/42/93/55/1163429355.db2.gz UYXOSKOCCNHZNX-RMKNXTFCSA-N -1 1 289.295 1.011 20 0 CDADMM COC/C(C)=C/COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001605045058 1163429359 /nfs/dbraw/zinc/42/93/59/1163429359.db2.gz UYXOSKOCCNHZNX-RMKNXTFCSA-N -1 1 289.295 1.011 20 0 CDADMM COCC1(N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC001605068230 1163438699 /nfs/dbraw/zinc/43/86/99/1163438699.db2.gz KYSORYNECFEIIO-UHFFFAOYSA-N -1 1 293.352 1.179 20 0 CDADMM COCC1(N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC001605068230 1163438704 /nfs/dbraw/zinc/43/87/04/1163438704.db2.gz KYSORYNECFEIIO-UHFFFAOYSA-N -1 1 293.352 1.179 20 0 CDADMM C[C@@H]1c2ccccc2CN1c1cc(-c2nnn[n-]2)ncn1 ZINC001605431766 1163561920 /nfs/dbraw/zinc/56/19/20/1163561920.db2.gz GADVTCZEHOIUAQ-SECBINFHSA-N -1 1 279.307 1.738 20 0 CDADMM C[C@@H]1c2ccccc2CN1c1cc(-c2nn[n-]n2)ncn1 ZINC001605431766 1163561923 /nfs/dbraw/zinc/56/19/23/1163561923.db2.gz GADVTCZEHOIUAQ-SECBINFHSA-N -1 1 279.307 1.738 20 0 CDADMM CCN(CCC(=O)[O-])CN1C(=O)CC12CCCC2 ZINC001605443219 1163565232 /nfs/dbraw/zinc/56/52/32/1163565232.db2.gz XIVFNGWMPXZHIJ-UHFFFAOYSA-N -1 1 254.330 1.286 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCC(F)(F)F)c1 ZINC001605556634 1163607865 /nfs/dbraw/zinc/60/78/65/1163607865.db2.gz AKKBBOQOFQTGFY-UHFFFAOYSA-N -1 1 286.261 1.959 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCC(F)(F)F)c1 ZINC001605556634 1163607869 /nfs/dbraw/zinc/60/78/69/1163607869.db2.gz AKKBBOQOFQTGFY-UHFFFAOYSA-N -1 1 286.261 1.959 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCc3c[nH]nc32)n1 ZINC001605572821 1163613613 /nfs/dbraw/zinc/61/36/13/1163613613.db2.gz NCZVEIOSRLRLFW-VIFPVBQESA-N -1 1 297.326 1.178 20 0 CDADMM Cc1cc(N[C@@H]2CS[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001605723043 1163651038 /nfs/dbraw/zinc/65/10/38/1163651038.db2.gz GPODHKMNUNWDBT-WPRPVWTQSA-N -1 1 276.369 1.298 20 0 CDADMM Cc1cc(N[C@@H]2CS[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001605723043 1163651044 /nfs/dbraw/zinc/65/10/44/1163651044.db2.gz GPODHKMNUNWDBT-WPRPVWTQSA-N -1 1 276.369 1.298 20 0 CDADMM CCc1[nH]c(CNC[C@@H]2CC(C)=NO2)cc1C(=O)[O-] ZINC001605773287 1163667163 /nfs/dbraw/zinc/66/71/63/1163667163.db2.gz CDVLSGRNULJNBY-JTQLQIEISA-N -1 1 265.313 1.530 20 0 CDADMM CCc1cc(CNC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)[nH]n1 ZINC001605798050 1163673804 /nfs/dbraw/zinc/67/38/04/1163673804.db2.gz AFJJWKUWXBJGPX-KOLCDFICSA-N -1 1 294.355 1.415 20 0 CDADMM Cc1ccc(CC(=O)Nc2c[nH]nc2-c2nn[nH]n2)cc1 ZINC001605838604 1163684049 /nfs/dbraw/zinc/68/40/49/1163684049.db2.gz KGHHAMULCIHLFG-UHFFFAOYSA-N -1 1 283.295 1.079 20 0 CDADMM Cc1ccc(CC(=O)Nc2c[nH]nc2-c2nn[n-]n2)cc1 ZINC001605838604 1163684053 /nfs/dbraw/zinc/68/40/53/1163684053.db2.gz KGHHAMULCIHLFG-UHFFFAOYSA-N -1 1 283.295 1.079 20 0 CDADMM Cc1nn(C)cc1CNc1ccc(C)nc1-c1nnn[n-]1 ZINC001605875198 1163702083 /nfs/dbraw/zinc/70/20/83/1163702083.db2.gz BTYXPSZWJDCSJT-UHFFFAOYSA-N -1 1 284.327 1.224 20 0 CDADMM Cc1nn(C)cc1CNc1ccc(C)nc1-c1nn[n-]n1 ZINC001605875198 1163702089 /nfs/dbraw/zinc/70/20/89/1163702089.db2.gz BTYXPSZWJDCSJT-UHFFFAOYSA-N -1 1 284.327 1.224 20 0 CDADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CCC1CC1 ZINC001605889907 1163709231 /nfs/dbraw/zinc/70/92/31/1163709231.db2.gz UBTDENMZGZTFFX-UHFFFAOYSA-N -1 1 296.334 1.685 20 0 CDADMM Cc1ccnc(CNc2cc(C)nc(-c3nnn[n-]3)c2)c1 ZINC001605954382 1163725019 /nfs/dbraw/zinc/72/50/19/1163725019.db2.gz FWWQQMUTLHZSMM-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1ccnc(CNc2cc(C)nc(-c3nn[n-]n3)c2)c1 ZINC001605954382 1163725025 /nfs/dbraw/zinc/72/50/25/1163725025.db2.gz FWWQQMUTLHZSMM-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1[nH]nc(NC(=O)CCCC(C)C)c1-c1nn[n-]n1 ZINC001606013933 1163744735 /nfs/dbraw/zinc/74/47/35/1163744735.db2.gz ZSAKQLCGUAZVJX-UHFFFAOYSA-N -1 1 277.332 1.663 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N(C)[C@@H](C)C2(C)CC2)n1 ZINC001606020383 1163747799 /nfs/dbraw/zinc/74/77/99/1163747799.db2.gz WHTSHKOFJGTILS-QMMMGPOBSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N(C)[C@@H](C)C2(C)CC2)n1 ZINC001606020383 1163747804 /nfs/dbraw/zinc/74/78/04/1163747804.db2.gz WHTSHKOFJGTILS-QMMMGPOBSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1C ZINC001606021156 1163748557 /nfs/dbraw/zinc/74/85/57/1163748557.db2.gz KWFKJLJKCKKCKE-SRVKXCTJSA-N -1 1 288.355 1.638 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1C ZINC001606021156 1163748565 /nfs/dbraw/zinc/74/85/65/1163748565.db2.gz KWFKJLJKCKKCKE-SRVKXCTJSA-N -1 1 288.355 1.638 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC001606166325 1163794465 /nfs/dbraw/zinc/79/44/65/1163794465.db2.gz QGJAPUNWFUHBOL-BDAKNGLRSA-N -1 1 289.339 1.886 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC001606166325 1163794472 /nfs/dbraw/zinc/79/44/72/1163794472.db2.gz QGJAPUNWFUHBOL-BDAKNGLRSA-N -1 1 289.339 1.886 20 0 CDADMM CN1CCCC[C@H]1C(=O)NCc1ccccc1CC(=O)[O-] ZINC001606224547 1163817092 /nfs/dbraw/zinc/81/70/92/1163817092.db2.gz KTDUHBXHBGFNSR-AWEZNQCLSA-N -1 1 290.363 1.414 20 0 CDADMM Fc1cccc2c1CC[C@@H]2Nc1cncc(-c2nnn[n-]2)n1 ZINC001606332143 1163864545 /nfs/dbraw/zinc/86/45/45/1163864545.db2.gz ICAJXJMVODOBAS-NSHDSACASA-N -1 1 297.297 1.895 20 0 CDADMM Fc1cccc2c1CC[C@@H]2Nc1cncc(-c2nn[n-]n2)n1 ZINC001606332143 1163864555 /nfs/dbraw/zinc/86/45/55/1163864555.db2.gz ICAJXJMVODOBAS-NSHDSACASA-N -1 1 297.297 1.895 20 0 CDADMM COC(=O)N(C)CCNCc1ccc(C(=O)[O-])cc1F ZINC001606488028 1163913484 /nfs/dbraw/zinc/91/34/84/1163913484.db2.gz NOEVHLNQNMKVPK-UHFFFAOYSA-N -1 1 284.287 1.312 20 0 CDADMM O=C(Cc1ccoc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001606610270 1163936115 /nfs/dbraw/zinc/93/61/15/1163936115.db2.gz ODWGBBCGUWSTPF-UHFFFAOYSA-N -1 1 285.263 1.141 20 0 CDADMM O=C(Cc1ccoc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001606610270 1163936122 /nfs/dbraw/zinc/93/61/22/1163936122.db2.gz ODWGBBCGUWSTPF-UHFFFAOYSA-N -1 1 285.263 1.141 20 0 CDADMM O=C(NC[C@H]1CCCC1=O)c1ccc(-c2nnn[n-]2)s1 ZINC001606727027 1163973416 /nfs/dbraw/zinc/97/34/16/1163973416.db2.gz LPYZKOLEJMWSJY-SSDOTTSWSA-N -1 1 291.336 1.027 20 0 CDADMM O=C(NC[C@H]1CCCC1=O)c1ccc(-c2nn[n-]n2)s1 ZINC001606727027 1163973421 /nfs/dbraw/zinc/97/34/21/1163973421.db2.gz LPYZKOLEJMWSJY-SSDOTTSWSA-N -1 1 291.336 1.027 20 0 CDADMM O=C(NCCc1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC001606796622 1163995883 /nfs/dbraw/zinc/99/58/83/1163995883.db2.gz IWDYMAKVFQKBHY-UHFFFAOYSA-N -1 1 294.318 1.234 20 0 CDADMM O=C(NCCc1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC001606796622 1163995889 /nfs/dbraw/zinc/99/58/89/1163995889.db2.gz IWDYMAKVFQKBHY-UHFFFAOYSA-N -1 1 294.318 1.234 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001606892659 1164024503 /nfs/dbraw/zinc/02/45/03/1164024503.db2.gz SSCWWXLMBZEQRX-PSVAKVPMSA-N -1 1 287.327 1.355 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001606892659 1164024507 /nfs/dbraw/zinc/02/45/07/1164024507.db2.gz SSCWWXLMBZEQRX-PSVAKVPMSA-N -1 1 287.327 1.355 20 0 CDADMM O=C(Nc1ccc(F)nn1)c1ccsc1-c1nnn[n-]1 ZINC001606923898 1164032629 /nfs/dbraw/zinc/03/26/29/1164032629.db2.gz XAOWXYIPIIHARK-UHFFFAOYSA-N -1 1 291.271 1.110 20 0 CDADMM O=C(Nc1ccc(F)nn1)c1ccsc1-c1nn[n-]n1 ZINC001606923898 1164032634 /nfs/dbraw/zinc/03/26/34/1164032634.db2.gz XAOWXYIPIIHARK-UHFFFAOYSA-N -1 1 291.271 1.110 20 0 CDADMM O=C(Nc1cnn(C(F)F)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001606947362 1164037091 /nfs/dbraw/zinc/03/70/91/1164037091.db2.gz NGOGCEVRLDFICO-UHFFFAOYSA-N -1 1 295.209 1.304 20 0 CDADMM CC1(C)[C@@H]2C[C@@H](Nc3[nH]c(=O)nc4[n-]c(=O)[nH]c43)C[C@@H]21 ZINC001170726642 1164047258 /nfs/dbraw/zinc/04/72/58/1164047258.db2.gz HBQHILNHWFJFDZ-POBXSPIYSA-N -1 1 275.312 1.562 20 0 CDADMM O=c1c(-c2nn[n-]n2)cncn1C/C=C/c1ccccc1 ZINC001607089679 1164074251 /nfs/dbraw/zinc/07/42/51/1164074251.db2.gz HNYGUTYHFKUNCA-QPJJXVBHSA-N -1 1 280.291 1.137 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1CC[C@@H]1CCCC1(F)F ZINC001607089788 1164074601 /nfs/dbraw/zinc/07/46/01/1164074601.db2.gz BNALNMSHCAOEOO-JTQLQIEISA-N -1 1 295.293 1.854 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1ccc(Cl)cc1 ZINC001607091754 1164077070 /nfs/dbraw/zinc/07/70/70/1164077070.db2.gz UDBMTJICDIPOBQ-UHFFFAOYSA-N -1 1 288.698 1.125 20 0 CDADMM OC[C@H]1C[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001607108714 1164091242 /nfs/dbraw/zinc/09/12/42/1164091242.db2.gz IMCKRZKZMNLGDE-KNVOCYPGSA-N -1 1 280.719 1.098 20 0 CDADMM OC[C@H]1C[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001607108714 1164091249 /nfs/dbraw/zinc/09/12/49/1164091249.db2.gz IMCKRZKZMNLGDE-KNVOCYPGSA-N -1 1 280.719 1.098 20 0 CDADMM c1cn(C2CC2)c(Sc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001607132767 1164113235 /nfs/dbraw/zinc/11/32/35/1164113235.db2.gz BLSVMGSOZHSWDN-UHFFFAOYSA-N -1 1 286.324 1.339 20 0 CDADMM c1cn(C2CC2)c(Sc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001607132767 1164113237 /nfs/dbraw/zinc/11/32/37/1164113237.db2.gz BLSVMGSOZHSWDN-UHFFFAOYSA-N -1 1 286.324 1.339 20 0 CDADMM c1cncc(CN(c2ccnc(-c3nnn[n-]3)c2)C2CC2)c1 ZINC001607136132 1164115077 /nfs/dbraw/zinc/11/50/77/1164115077.db2.gz PKKIYDDXUJLGLY-UHFFFAOYSA-N -1 1 293.334 1.826 20 0 CDADMM c1cncc(CN(c2ccnc(-c3nn[n-]n3)c2)C2CC2)c1 ZINC001607136132 1164115083 /nfs/dbraw/zinc/11/50/83/1164115083.db2.gz PKKIYDDXUJLGLY-UHFFFAOYSA-N -1 1 293.334 1.826 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001607136655 1164116913 /nfs/dbraw/zinc/11/69/13/1164116913.db2.gz NHLRSMMGDVVCMX-UTLUCORTSA-N -1 1 271.328 1.505 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001607136655 1164116916 /nfs/dbraw/zinc/11/69/16/1164116916.db2.gz NHLRSMMGDVVCMX-UTLUCORTSA-N -1 1 271.328 1.505 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NC[C@H]1CC2(CCC2)CO1 ZINC001607139108 1164119740 /nfs/dbraw/zinc/11/97/40/1164119740.db2.gz WERNTZJCWVIRTL-SECBINFHSA-N -1 1 287.327 1.028 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NC[C@H]1CC2(CCC2)CO1 ZINC001607139108 1164119746 /nfs/dbraw/zinc/11/97/46/1164119746.db2.gz WERNTZJCWVIRTL-SECBINFHSA-N -1 1 287.327 1.028 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NCC2CCCCC2)n1 ZINC001607139087 1164120945 /nfs/dbraw/zinc/12/09/45/1164120945.db2.gz VSICSCGDNAZKRN-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM COc1ccc(C(=O)[O-])cc1C[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC001607215242 1164131125 /nfs/dbraw/zinc/13/11/25/1164131125.db2.gz KVFWWYMRLTXDJA-SECBINFHSA-N -1 1 281.308 1.546 20 0 CDADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CC[C@@H](C)[C@@H]1C ZINC001607495657 1164207381 /nfs/dbraw/zinc/20/73/81/1164207381.db2.gz PCRBOXBWDXSRSR-SCZZXKLOSA-N -1 1 264.325 1.934 20 0 CDADMM Cc1cc(CN2CCC[C@H](O)[C@@H]2C(=O)[O-])cs1 ZINC001607639806 1164252934 /nfs/dbraw/zinc/25/29/34/1164252934.db2.gz RETYEMNVOFRDER-WDEREUQCSA-N -1 1 255.339 1.466 20 0 CDADMM CC[C@@H](OC)C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000346127844 1164343103 /nfs/dbraw/zinc/34/31/03/1164343103.db2.gz ZDBAFLXKNIACAA-LLVKDONJSA-N -1 1 291.311 1.142 20 0 CDADMM COC[C@H]([N-]S(=O)(=O)c1cnoc1C)c1ccccc1 ZINC001187410455 1164363824 /nfs/dbraw/zinc/36/38/24/1164363824.db2.gz SLUBJBVJSTWWIB-LBPRGKRZSA-N -1 1 296.348 1.649 20 0 CDADMM Cc1nnsc1CN1CCSC[C@@H](C(=O)[O-])C1 ZINC001608018338 1164379282 /nfs/dbraw/zinc/37/92/82/1164379282.db2.gz DNOCDULTOPDDAX-QMMMGPOBSA-N -1 1 273.383 1.096 20 0 CDADMM Cn1cc(CNC2(CC(=O)[O-])CC2)c(Br)n1 ZINC001608114474 1164405569 /nfs/dbraw/zinc/40/55/69/1164405569.db2.gz LATSCKAEUVBEIA-UHFFFAOYSA-N -1 1 288.145 1.280 20 0 CDADMM Nc1ccnc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)n1 ZINC001608273837 1164476795 /nfs/dbraw/zinc/47/67/95/1164476795.db2.gz DAASLHNBIBQGIL-VWYCJHECSA-N -1 1 276.340 1.134 20 0 CDADMM O=C([O-])[C@@H](CNC(=O)CCc1c[nH]nn1)CC1CCCC1 ZINC001608317179 1164489018 /nfs/dbraw/zinc/48/90/18/1164489018.db2.gz QZPARUQUZYLFTA-LLVKDONJSA-N -1 1 294.355 1.135 20 0 CDADMM O=C([O-])[C@H](N[C@H]1CCCN(C2CCCCC2)C1=O)C1CC1 ZINC001608545676 1164540031 /nfs/dbraw/zinc/54/00/31/1164540031.db2.gz DXVHQLSPAIVCAW-UONOGXRCSA-N -1 1 294.395 1.763 20 0 CDADMM O=C([O-])[C@H](NCC(=O)N(C1CC1)C1CCCC1)C1CC1 ZINC001608545741 1164540075 /nfs/dbraw/zinc/54/00/75/1164540075.db2.gz FVUYLINYOZAUMI-CQSZACIVSA-N -1 1 280.368 1.373 20 0 CDADMM O=C([O-])[C@]1(F)CCN(Cc2ccccc2-n2cncn2)C1 ZINC001608577948 1164554672 /nfs/dbraw/zinc/55/46/72/1164554672.db2.gz YCGOOQRJKHPNOK-AWEZNQCLSA-N -1 1 290.298 1.266 20 0 CDADMM O=C([O-])[C@@H]1CCN(Cc2c[nH]cn2)[C@H]([C@H]2CCCO2)C1 ZINC001608634629 1164584113 /nfs/dbraw/zinc/58/41/13/1164584113.db2.gz XUECKNGXNZIYOT-KGYLQXTDSA-N -1 1 279.340 1.254 20 0 CDADMM O=C([O-])c1occc1COC(=O)c1ccc2cncn2c1 ZINC001609024992 1164732454 /nfs/dbraw/zinc/73/24/54/1164732454.db2.gz WVRGEVRLHOVZFK-UHFFFAOYSA-N -1 1 286.243 1.983 20 0 CDADMM CC(C)c1nn(C)cc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001609107196 1164774064 /nfs/dbraw/zinc/77/40/64/1164774064.db2.gz XVHHGULNCHBCBQ-UHFFFAOYSA-N -1 1 269.312 1.786 20 0 CDADMM CC(C)c1nn(C)cc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001609107196 1164774071 /nfs/dbraw/zinc/77/40/71/1164774071.db2.gz XVHHGULNCHBCBQ-UHFFFAOYSA-N -1 1 269.312 1.786 20 0 CDADMM CC[C@@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001609199940 1164839861 /nfs/dbraw/zinc/83/98/61/1164839861.db2.gz JJPQMXCVUGYCOM-ZJUUUORDSA-N -1 1 273.344 1.895 20 0 CDADMM CN(C)c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609270467 1164875413 /nfs/dbraw/zinc/87/54/13/1164875413.db2.gz ZIKCEGFXYPUFKP-UHFFFAOYSA-N -1 1 298.306 1.778 20 0 CDADMM CO[C@H](C)CCC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609308067 1164884818 /nfs/dbraw/zinc/88/48/18/1164884818.db2.gz BIIUDVVVBLGGGN-MRVPVSSYSA-N -1 1 276.300 1.015 20 0 CDADMM CO[C@H](C)CCC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609308067 1164884823 /nfs/dbraw/zinc/88/48/23/1164884823.db2.gz BIIUDVVVBLGGGN-MRVPVSSYSA-N -1 1 276.300 1.015 20 0 CDADMM COc1ccc(CCNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001609354511 1164908196 /nfs/dbraw/zinc/90/81/96/1164908196.db2.gz NUYNHZIYLSDRIZ-UHFFFAOYSA-N -1 1 297.322 1.320 20 0 CDADMM COc1ccc(CCNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001609354511 1164908203 /nfs/dbraw/zinc/90/82/03/1164908203.db2.gz NUYNHZIYLSDRIZ-UHFFFAOYSA-N -1 1 297.322 1.320 20 0 CDADMM COc1ccc(CNc2cccnc2-c2nnn[n-]2)cc1 ZINC001609356042 1164909003 /nfs/dbraw/zinc/90/90/03/1164909003.db2.gz KAHXFXHNMMHJHD-UHFFFAOYSA-N -1 1 282.307 1.882 20 0 CDADMM COc1ccc(CNc2cccnc2-c2nn[n-]n2)cc1 ZINC001609356042 1164909009 /nfs/dbraw/zinc/90/90/09/1164909009.db2.gz KAHXFXHNMMHJHD-UHFFFAOYSA-N -1 1 282.307 1.882 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC2(CCCC2)C1 ZINC001609581833 1164996177 /nfs/dbraw/zinc/99/61/77/1164996177.db2.gz KURIYVHOGMPPEP-UHFFFAOYSA-N -1 1 287.323 1.866 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC2(CCCC2)C1 ZINC001609581833 1164996184 /nfs/dbraw/zinc/99/61/84/1164996184.db2.gz KURIYVHOGMPPEP-UHFFFAOYSA-N -1 1 287.323 1.866 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC001609583817 1164997391 /nfs/dbraw/zinc/99/73/91/1164997391.db2.gz MNTMOJLLEDGFHJ-RYUDHWBXSA-N -1 1 298.350 1.524 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC001609583817 1164997395 /nfs/dbraw/zinc/99/73/95/1164997395.db2.gz MNTMOJLLEDGFHJ-RYUDHWBXSA-N -1 1 298.350 1.524 20 0 CDADMM O=c1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)o3)n2)c[nH]1 ZINC001609605251 1165000713 /nfs/dbraw/zinc/00/07/13/1165000713.db2.gz RKLTZMLMHIPFNK-UHFFFAOYSA-N -1 1 297.234 1.277 20 0 CDADMM CC1(C(=O)[O-])CN(C[C@H](O)c2cccc(F)c2)C1 ZINC001609812388 1165091372 /nfs/dbraw/zinc/09/13/72/1165091372.db2.gz YDCKXQRHSXWWQH-NSHDSACASA-N -1 1 253.273 1.266 20 0 CDADMM CC1=CCN(CCNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC001609829010 1165100248 /nfs/dbraw/zinc/10/02/48/1165100248.db2.gz UHEUXDGNTHKFAH-KBPBESRZSA-N -1 1 294.395 1.646 20 0 CDADMM CCc1nnc([C@H](C)N2CCC[C@@](C)(C(=O)[O-])C2)o1 ZINC001610073960 1165204487 /nfs/dbraw/zinc/20/44/87/1165204487.db2.gz QNTRCJJONPXARF-TVQRCGJNSA-N -1 1 267.329 1.880 20 0 CDADMM Cc1cc(CC(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)[nH]n1 ZINC001610458815 1165320427 /nfs/dbraw/zinc/32/04/27/1165320427.db2.gz CMOWBIFAAOIGJQ-SSDOTTSWSA-N -1 1 294.336 1.293 20 0 CDADMM Cc1ccc(-c2n[nH]cc2CN[C@H](CF)C(=O)[O-])cc1 ZINC001610480953 1165327045 /nfs/dbraw/zinc/32/70/45/1165327045.db2.gz KINGMBGGQZMARD-GFCCVEGCSA-N -1 1 277.299 1.897 20 0 CDADMM NC1(c2noc(-c3ccc(C(=O)[O-])c(F)c3)n2)CCC1 ZINC001610643204 1165391593 /nfs/dbraw/zinc/39/15/93/1165391593.db2.gz OERKXCQKDUTKDA-UHFFFAOYSA-N -1 1 277.255 1.912 20 0 CDADMM O=C([O-])[C@@H]1[C@H](CN2CCOC3(CCCC3)C2)C1(F)F ZINC001610731377 1165420627 /nfs/dbraw/zinc/42/06/27/1165420627.db2.gz LFZOFBITUFRXNG-UWVGGRQHSA-N -1 1 275.295 1.597 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@H]1NCc1nc(-c2ccccn2)no1 ZINC001610742702 1165424908 /nfs/dbraw/zinc/42/49/08/1165424908.db2.gz RPGOWNNDPGWXEB-NXEZZACHSA-N -1 1 288.307 1.475 20 0 CDADMM O=C([O-])c1cn([C@H]2CCCN(Cc3ccccn3)C2)nn1 ZINC001610857326 1165464309 /nfs/dbraw/zinc/46/43/09/1165464309.db2.gz WKEZDJXPFMIRHN-LBPRGKRZSA-N -1 1 287.323 1.208 20 0 CDADMM O=C([O-])c1coc(CN2CCC[C@H](n3ccnn3)C2)c1 ZINC001610867502 1165467726 /nfs/dbraw/zinc/46/77/26/1165467726.db2.gz KLFVTSOJMKNMDB-NSHDSACASA-N -1 1 276.296 1.406 20 0 CDADMM CCC[C@@H](NC(=O)c1ccnc2ccncc21)c1nn[n-]n1 ZINC001621661877 1165705818 /nfs/dbraw/zinc/70/58/18/1165705818.db2.gz ZKGATDPKUMXQLK-GFCCVEGCSA-N -1 1 297.322 1.414 20 0 CDADMM O=C(Nc1ccc2nc[nH]c2c1)c1c[n-]n2c1nccc2=O ZINC001626895880 1165964716 /nfs/dbraw/zinc/96/47/16/1165964716.db2.gz PBUSQJBKPPPITK-UHFFFAOYSA-N -1 1 294.274 1.151 20 0 CDADMM CCN(CC(=O)OC)C(=O)c1cc(Cl)ccc1[O-] ZINC000042305535 1166057196 /nfs/dbraw/zinc/05/71/96/1166057196.db2.gz WDQYKKANLLOGAJ-UHFFFAOYSA-N -1 1 271.700 1.681 20 0 CDADMM C[C@@H](NC(=O)c1ccc(F)c([O-])c1)c1nccn1C ZINC001630743752 1166227544 /nfs/dbraw/zinc/22/75/44/1166227544.db2.gz ZFFOFGKNFOLTMF-MRVPVSSYSA-N -1 1 263.272 1.756 20 0 CDADMM O=C([N-]N1CCOC1=O)c1cc(F)ccc1Cl ZINC001632966958 1166388627 /nfs/dbraw/zinc/38/86/27/1166388627.db2.gz CKYOMPUIPFRVPW-UHFFFAOYSA-N -1 1 258.636 1.576 20 0 CDADMM O=C(NCCc1cnoc1)c1ccc(F)c([O-])c1 ZINC001633064111 1166399364 /nfs/dbraw/zinc/39/93/64/1166399364.db2.gz AYKPACQEGAUQAN-UHFFFAOYSA-N -1 1 250.229 1.492 20 0 CDADMM Cc1nonc1C(=O)[N-]c1cccc2nsnc21 ZINC001634329094 1166490063 /nfs/dbraw/zinc/49/00/63/1166490063.db2.gz MQPFCDSAZHUKDH-UHFFFAOYSA-N -1 1 261.266 1.635 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCc2ccc(F)cc2)n1 ZINC000095331685 1166622777 /nfs/dbraw/zinc/62/27/77/1166622777.db2.gz KOSKXAODQVUNJW-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCc2ccc(F)cc2)n1 ZINC000095331685 1166622780 /nfs/dbraw/zinc/62/27/80/1166622780.db2.gz KOSKXAODQVUNJW-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM C[C@@H]1COCC[C@@H]1NC(=O)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155273513 1167112641 /nfs/dbraw/zinc/11/26/41/1167112641.db2.gz QCFZFKAZALUKSB-KCJUWKMLSA-N -1 1 275.308 1.423 20 0 CDADMM CC1(C)C[C@@H](NC(=O)c2[n-][nH]c3cc(=O)ccc2-3)CCO1 ZINC001155269999 1167112947 /nfs/dbraw/zinc/11/29/47/1167112947.db2.gz XGMHCQFTIFREBX-VIFPVBQESA-N -1 1 289.335 1.956 20 0 CDADMM O=C(CCCc1nn[n-]n1)Nc1nccc2ccncc21 ZINC001641529785 1167115560 /nfs/dbraw/zinc/11/55/60/1167115560.db2.gz LNSADWPHWFRJJD-UHFFFAOYSA-N -1 1 283.295 1.104 20 0 CDADMM CCN(CC(=O)[O-])C(=O)[C@H](N)c1cccc(Cl)c1 ZINC001609991368 1167981021 /nfs/dbraw/zinc/98/10/21/1167981021.db2.gz UXCJVTMZAHASLI-LLVKDONJSA-N -1 1 270.716 1.273 20 0 CDADMM C[C@@H](NC(=O)c1cccc([O-])c1F)c1ncon1 ZINC001566459388 1168286193 /nfs/dbraw/zinc/28/61/93/1168286193.db2.gz DGXPXGDZOHJXCC-ZCFIWIBFSA-N -1 1 251.217 1.405 20 0 CDADMM Cc1nc([C@@H](C)[N-]S(=O)(=O)c2cccc(C)c2F)no1 ZINC001647131697 1168398354 /nfs/dbraw/zinc/39/83/54/1168398354.db2.gz FEMPMJVLWVWCAP-MRVPVSSYSA-N -1 1 299.327 1.865 20 0 CDADMM CN(Cc1nccn1C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001647408565 1168654480 /nfs/dbraw/zinc/65/44/80/1168654480.db2.gz FRSUPNXFUJWFDF-UHFFFAOYSA-N -1 1 287.323 1.065 20 0 CDADMM COc1nc(Cl)c(C=Cc2ncc(OC)c(=O)[n-]2)n1C ZINC001647412761 1168661849 /nfs/dbraw/zinc/66/18/49/1168661849.db2.gz AMSJZILSQOJBEO-PLNGDYQASA-N -1 1 296.714 1.757 20 0 CDADMM Cn1cc(C(=O)NCc2nc([O-])cc(=O)[nH]2)c2ccccc21 ZINC001647868317 1169069390 /nfs/dbraw/zinc/06/93/90/1169069390.db2.gz NZNAZIKYJRPLEN-UHFFFAOYSA-N -1 1 298.302 1.310 20 0 CDADMM O=C([O-])c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)o1 ZINC001649931593 1169511317 /nfs/dbraw/zinc/51/13/17/1169511317.db2.gz BBRABTJHQPJYEN-LLVKDONJSA-N -1 1 278.308 1.221 20 0 CDADMM O=C([O-])c1ccc(CNC(=O)[C@H]2CCCN2C2CC2)o1 ZINC001649931593 1169511328 /nfs/dbraw/zinc/51/13/28/1169511328.db2.gz BBRABTJHQPJYEN-LLVKDONJSA-N -1 1 278.308 1.221 20 0 CDADMM CC[C@H]1CN(Cc2cccnc2N(C)C)C[C@]1(F)C(=O)[O-] ZINC001573826991 1170793220 /nfs/dbraw/zinc/79/32/20/1170793220.db2.gz ZSBNQHSTISVOCH-SWLSCSKDSA-N -1 1 295.358 1.782 20 0 CDADMM Cc1cc(=O)[n-]c(C[NH2+][C@@H](C)C2CCN(C(=O)[O-])CC2)n1 ZINC001574144397 1170897185 /nfs/dbraw/zinc/89/71/85/1170897185.db2.gz QFALRAUVDKZZFF-JTQLQIEISA-N -1 1 294.355 1.359 20 0 CDADMM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001574237059 1170926288 /nfs/dbraw/zinc/92/62/88/1170926288.db2.gz VSFUOSUMOAVJAT-HTQZYQBOSA-N -1 1 275.316 1.211 20 0 CDADMM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001574237059 1170926298 /nfs/dbraw/zinc/92/62/98/1170926298.db2.gz VSFUOSUMOAVJAT-HTQZYQBOSA-N -1 1 275.316 1.211 20 0 CDADMM C[C@@H]1Cc2ccccc2CN1c1cncc(-c2nnn[n-]2)n1 ZINC001576386722 1171410788 /nfs/dbraw/zinc/41/07/88/1171410788.db2.gz VOSSBGRJQSQLIO-SNVBAGLBSA-N -1 1 293.334 1.608 20 0 CDADMM C[C@@H]1Cc2ccccc2CN1c1cncc(-c2nn[n-]n2)n1 ZINC001576386722 1171410793 /nfs/dbraw/zinc/41/07/93/1171410793.db2.gz VOSSBGRJQSQLIO-SNVBAGLBSA-N -1 1 293.334 1.608 20 0 CDADMM CO[C@H]1CCC[C@@H](CC(=O)Nc2c[n-][nH]c2=O)C1 ZINC001654603682 1171624423 /nfs/dbraw/zinc/62/44/23/1171624423.db2.gz YQXYJWUOSLHMOR-BDAKNGLRSA-N -1 1 253.302 1.649 20 0 CDADMM O=C(c1ccc2c(c1)CCCN2)N1CC[C@H](c2nn[n-]n2)C1 ZINC001580822575 1172550133 /nfs/dbraw/zinc/55/01/33/1172550133.db2.gz YGOZJQKZOIWYBA-LBPRGKRZSA-N -1 1 298.350 1.188 20 0 CDADMM Cc1ccc(CNC(=O)c2ccsc2-c2nnn[n-]2)o1 ZINC001581200138 1172592875 /nfs/dbraw/zinc/59/28/75/1172592875.db2.gz YCSASCXYEGSQHN-UHFFFAOYSA-N -1 1 289.320 1.760 20 0 CDADMM Cc1ccc(CNC(=O)c2ccsc2-c2nn[n-]n2)o1 ZINC001581200138 1172592882 /nfs/dbraw/zinc/59/28/82/1172592882.db2.gz YCSASCXYEGSQHN-UHFFFAOYSA-N -1 1 289.320 1.760 20 0 CDADMM Fc1cc(Oc2nccnc2-c2nn[n-]n2)cnc1Cl ZINC001581853373 1172625246 /nfs/dbraw/zinc/62/52/46/1172625246.db2.gz JDSPLICTLYWAPR-UHFFFAOYSA-N -1 1 293.649 1.637 20 0 CDADMM c1cc2cccc(CNc3ncncc3-c3nn[n-]n3)c2[nH]1 ZINC001582816624 1172694972 /nfs/dbraw/zinc/69/49/72/1172694972.db2.gz MYKBLDSZZRCLHY-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NCCC1=CCCCC1 ZINC001588384374 1173057218 /nfs/dbraw/zinc/05/72/18/1173057218.db2.gz JVOLCANVQWOZFB-UHFFFAOYSA-N -1 1 271.328 1.959 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NCCC1=CCCCC1 ZINC001588384374 1173057223 /nfs/dbraw/zinc/05/72/23/1173057223.db2.gz JVOLCANVQWOZFB-UHFFFAOYSA-N -1 1 271.328 1.959 20 0 CDADMM C1=C[C@@H]2C[C@H]1C[C@H]2COc1cnc(-c2nn[n-]n2)nc1 ZINC001588386838 1173059580 /nfs/dbraw/zinc/05/95/80/1173059580.db2.gz QEQXWRIIGLPVQN-AEJSXWLSSA-N -1 1 270.296 1.248 20 0 CDADMM CC(=O)c1ccc(Oc2cc(-c3nnn[n-]3)ncn2)c(C)c1 ZINC001588917158 1173113365 /nfs/dbraw/zinc/11/33/65/1173113365.db2.gz FJBVMZSOMBXZCM-UHFFFAOYSA-N -1 1 296.290 1.960 20 0 CDADMM CC(=O)c1ccc(Oc2cc(-c3nn[n-]n3)ncn2)c(C)c1 ZINC001588917158 1173113369 /nfs/dbraw/zinc/11/33/69/1173113369.db2.gz FJBVMZSOMBXZCM-UHFFFAOYSA-N -1 1 296.290 1.960 20 0 CDADMM CC(C)(CF)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001589278211 1173135125 /nfs/dbraw/zinc/13/51/25/1173135125.db2.gz MJZRXAVGAZLUNH-UHFFFAOYSA-N -1 1 298.709 1.393 20 0 CDADMM CC(C)[C@@H](Sc1cccc(F)c1-c1nn[n-]n1)C(N)=O ZINC001589487423 1173149254 /nfs/dbraw/zinc/14/92/54/1173149254.db2.gz CDJQVOMJDOLFKJ-SNVBAGLBSA-N -1 1 295.343 1.608 20 0 CDADMM CC(C)[C@H]1CCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001589509713 1173153369 /nfs/dbraw/zinc/15/33/69/1173153369.db2.gz UAZGZYQNCCIBCE-JTQLQIEISA-N -1 1 258.329 1.744 20 0 CDADMM CC(C)[C@H]1CCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001589509713 1173153377 /nfs/dbraw/zinc/15/33/77/1173153377.db2.gz UAZGZYQNCCIBCE-JTQLQIEISA-N -1 1 258.329 1.744 20 0 CDADMM CC(C)[C@@H]1CN(c2cc(-c3nnn[n-]3)ncn2)[C@@H]1C(C)C ZINC001589517772 1173154646 /nfs/dbraw/zinc/15/46/46/1173154646.db2.gz OLFMDFPJQYRQMG-GXFFZTMASA-N -1 1 287.371 1.774 20 0 CDADMM CC(C)[C@@H]1CN(c2cc(-c3nn[n-]n3)ncn2)[C@@H]1C(C)C ZINC001589517772 1173154650 /nfs/dbraw/zinc/15/46/50/1173154650.db2.gz OLFMDFPJQYRQMG-GXFFZTMASA-N -1 1 287.371 1.774 20 0 CDADMM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589658411 1173165735 /nfs/dbraw/zinc/16/57/35/1173165735.db2.gz BRSWHVIROUMNEZ-NXEZZACHSA-N -1 1 286.339 1.882 20 0 CDADMM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589658411 1173165740 /nfs/dbraw/zinc/16/57/40/1173165740.db2.gz BRSWHVIROUMNEZ-NXEZZACHSA-N -1 1 286.339 1.882 20 0 CDADMM C[C@H](C1CC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589787159 1173181391 /nfs/dbraw/zinc/18/13/91/1173181391.db2.gz QTODWQAIAARRFK-SSDOTTSWSA-N -1 1 261.285 1.330 20 0 CDADMM C[C@H](C1CC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589787159 1173181396 /nfs/dbraw/zinc/18/13/96/1173181396.db2.gz QTODWQAIAARRFK-SSDOTTSWSA-N -1 1 261.285 1.330 20 0 CDADMM C[C@@H](CNC(=O)c1cccc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001589865314 1173190329 /nfs/dbraw/zinc/19/03/29/1173190329.db2.gz RGVGQJRHOFUYHJ-VIFPVBQESA-N -1 1 288.355 1.674 20 0 CDADMM C[C@@H](CNC(=O)c1cccc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001589865314 1173190335 /nfs/dbraw/zinc/19/03/35/1173190335.db2.gz RGVGQJRHOFUYHJ-VIFPVBQESA-N -1 1 288.355 1.674 20 0 CDADMM C[C@@H](COc1cnc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001589885614 1173196193 /nfs/dbraw/zinc/19/61/93/1173196193.db2.gz BSGYGQNTKJEDQX-JTQLQIEISA-N -1 1 282.307 1.839 20 0 CDADMM C[C@H](COC(=O)c1ccc(-c2nnn[n-]2)nc1)CC(F)F ZINC001589883105 1173196805 /nfs/dbraw/zinc/19/68/05/1173196805.db2.gz CHCFUHRPMXHTFH-ZETCQYMHSA-N -1 1 297.265 1.710 20 0 CDADMM C[C@H](COC(=O)c1ccc(-c2nn[n-]n2)nc1)CC(F)F ZINC001589883105 1173196808 /nfs/dbraw/zinc/19/68/08/1173196808.db2.gz CHCFUHRPMXHTFH-ZETCQYMHSA-N -1 1 297.265 1.710 20 0 CDADMM C[C@@H](Cc1ccncc1)Nc1ncncc1-c1nn[n-]n1 ZINC001589902839 1173198247 /nfs/dbraw/zinc/19/82/47/1173198247.db2.gz UVKYWKORPSIJMF-VIFPVBQESA-N -1 1 282.311 1.095 20 0 CDADMM CC1(C)C[C@@]1(C)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590087627 1173250627 /nfs/dbraw/zinc/25/06/27/1173250627.db2.gz VAKPGWJOGOYXMH-CYBMUJFWSA-N -1 1 287.327 1.572 20 0 CDADMM CC1(C)C[C@@]1(C)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590087627 1173250634 /nfs/dbraw/zinc/25/06/34/1173250634.db2.gz VAKPGWJOGOYXMH-CYBMUJFWSA-N -1 1 287.327 1.572 20 0 CDADMM CC1(C)CO[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590111708 1173262456 /nfs/dbraw/zinc/26/24/56/1173262456.db2.gz SSDYWWZIJKVFOU-VIFPVBQESA-N -1 1 289.343 1.274 20 0 CDADMM CC1(C)CO[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590111708 1173262461 /nfs/dbraw/zinc/26/24/61/1173262461.db2.gz SSDYWWZIJKVFOU-VIFPVBQESA-N -1 1 289.343 1.274 20 0 CDADMM CC1(c2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)CC1 ZINC001590153474 1173275414 /nfs/dbraw/zinc/27/54/14/1173275414.db2.gz UQUNBEDSAOYFTA-UHFFFAOYSA-N -1 1 269.268 1.363 20 0 CDADMM CC1(c2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)CC1 ZINC001590153474 1173275415 /nfs/dbraw/zinc/27/54/15/1173275415.db2.gz UQUNBEDSAOYFTA-UHFFFAOYSA-N -1 1 269.268 1.363 20 0 CDADMM Cc1nsc(N2CC=C(C)CC2)c1-c1nn[n-]n1 ZINC001590160515 1173277724 /nfs/dbraw/zinc/27/77/24/1173277724.db2.gz FTUZLOULHRCSRV-UHFFFAOYSA-N -1 1 262.342 1.788 20 0 CDADMM C[C@@H]1C[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001590219630 1173298560 /nfs/dbraw/zinc/29/85/60/1173298560.db2.gz OGRULORQCXKONP-SVRRBLITSA-N -1 1 264.310 1.627 20 0 CDADMM C[C@H]1CC[C@@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590239656 1173311408 /nfs/dbraw/zinc/31/14/08/1173311408.db2.gz JVFNWNDXMDEXOE-XPUUQOCRSA-N -1 1 263.326 1.457 20 0 CDADMM C[C@H]1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001590239847 1173311913 /nfs/dbraw/zinc/31/19/13/1173311913.db2.gz ORVCARBORGQEIF-HZMBPMFUSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@H]1CC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001590239847 1173311921 /nfs/dbraw/zinc/31/19/21/1173311921.db2.gz ORVCARBORGQEIF-HZMBPMFUSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@H]1CCC[C@H]1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590245841 1173317309 /nfs/dbraw/zinc/31/73/09/1173317309.db2.gz APDVVFSYPSECNK-WCBMZHEXSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@H]1CCC[C@H]1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590245841 1173317315 /nfs/dbraw/zinc/31/73/15/1173317315.db2.gz APDVVFSYPSECNK-WCBMZHEXSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@H]1CCCCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590259544 1173324913 /nfs/dbraw/zinc/32/49/13/1173324913.db2.gz KROQNEAWXHAQJX-VIFPVBQESA-N -1 1 287.327 1.668 20 0 CDADMM C[C@H]1CCCCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590259544 1173324922 /nfs/dbraw/zinc/32/49/22/1173324922.db2.gz KROQNEAWXHAQJX-VIFPVBQESA-N -1 1 287.327 1.668 20 0 CDADMM C[C@@H]1[C@@H](C)CN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001590308218 1173344689 /nfs/dbraw/zinc/34/46/89/1173344689.db2.gz FZNILOPLVKRZTI-NKWVEPMBSA-N -1 1 250.331 1.163 20 0 CDADMM C[C@@H]1[C@@H](C)CN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001590308218 1173344693 /nfs/dbraw/zinc/34/46/93/1173344693.db2.gz FZNILOPLVKRZTI-NKWVEPMBSA-N -1 1 250.331 1.163 20 0 CDADMM C[C@H]1COCC[C@@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC001590321860 1173355218 /nfs/dbraw/zinc/35/52/18/1173355218.db2.gz CZJSWONELHNHRB-VHSXEESVSA-N -1 1 274.328 1.346 20 0 CDADMM C[C@H]1COCC[C@@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC001590321860 1173355226 /nfs/dbraw/zinc/35/52/26/1173355226.db2.gz CZJSWONELHNHRB-VHSXEESVSA-N -1 1 274.328 1.346 20 0 CDADMM C/C=C(\C)COC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590349677 1173366643 /nfs/dbraw/zinc/36/66/43/1173366643.db2.gz KUXCOQDOWCRKRF-QPJJXVBHSA-N -1 1 262.269 1.891 20 0 CDADMM C/C=C(\C)COC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590349677 1173366647 /nfs/dbraw/zinc/36/66/47/1173366647.db2.gz KUXCOQDOWCRKRF-QPJJXVBHSA-N -1 1 262.269 1.891 20 0 CDADMM CC[C@@H](C)n1ncc(Nc2nccnc2-c2nnn[n-]2)c1C ZINC001590418361 1173401438 /nfs/dbraw/zinc/40/14/38/1173401438.db2.gz NWDKDDQOCLSJLW-MRVPVSSYSA-N -1 1 299.342 1.876 20 0 CDADMM CC[C@@H](C)n1ncc(Nc2nccnc2-c2nn[n-]n2)c1C ZINC001590418361 1173401440 /nfs/dbraw/zinc/40/14/40/1173401440.db2.gz NWDKDDQOCLSJLW-MRVPVSSYSA-N -1 1 299.342 1.876 20 0 CDADMM CC[C@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC001590474829 1173429349 /nfs/dbraw/zinc/42/93/49/1173429349.db2.gz OLHKJIKEWKPHCP-ONGXEEELSA-N -1 1 289.343 1.335 20 0 CDADMM CC[C@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001590474829 1173429353 /nfs/dbraw/zinc/42/93/53/1173429353.db2.gz OLHKJIKEWKPHCP-ONGXEEELSA-N -1 1 289.343 1.335 20 0 CDADMM CC[C@H]1C[C@@H](Nc2cccnc2-c2nnn[n-]2)CCO1 ZINC001590505237 1173440404 /nfs/dbraw/zinc/44/04/04/1173440404.db2.gz OQTDPZGEJFMVNA-UWVGGRQHSA-N -1 1 274.328 1.631 20 0 CDADMM CC[C@H]1C[C@@H](Nc2cccnc2-c2nn[n-]n2)CCO1 ZINC001590505237 1173440411 /nfs/dbraw/zinc/44/04/11/1173440411.db2.gz OQTDPZGEJFMVNA-UWVGGRQHSA-N -1 1 274.328 1.631 20 0 CDADMM CCN(C(=O)c1coc(-c2nnn[n-]2)c1)C1CCC1 ZINC001590676763 1173486053 /nfs/dbraw/zinc/48/60/53/1173486053.db2.gz UOSDATKTMFKAAZ-UHFFFAOYSA-N -1 1 261.285 1.474 20 0 CDADMM CCN(C(=O)c1coc(-c2nn[n-]n2)c1)C1CCC1 ZINC001590676763 1173486058 /nfs/dbraw/zinc/48/60/58/1173486058.db2.gz UOSDATKTMFKAAZ-UHFFFAOYSA-N -1 1 261.285 1.474 20 0 CDADMM CCOC(CSc1cccnc1-c1nnn[n-]1)OCC ZINC001590785054 1173511322 /nfs/dbraw/zinc/51/13/22/1173511322.db2.gz IDYHORVZWNPSPD-UHFFFAOYSA-N -1 1 295.368 1.753 20 0 CDADMM CCOC(CSc1cccnc1-c1nn[n-]n1)OCC ZINC001590785054 1173511329 /nfs/dbraw/zinc/51/13/29/1173511329.db2.gz IDYHORVZWNPSPD-UHFFFAOYSA-N -1 1 295.368 1.753 20 0 CDADMM CCOC1(CNc2ccnc(-c3nnn[n-]3)c2)CCCC1 ZINC001590786416 1173511361 /nfs/dbraw/zinc/51/13/61/1173511361.db2.gz HNEGJRQCEYDXGT-UHFFFAOYSA-N -1 1 288.355 1.445 20 0 CDADMM CCOC1(CNc2ccnc(-c3nn[n-]n3)c2)CCCC1 ZINC001590786416 1173511371 /nfs/dbraw/zinc/51/13/71/1173511371.db2.gz HNEGJRQCEYDXGT-UHFFFAOYSA-N -1 1 288.355 1.445 20 0 CDADMM CCOCc1cccc(Nc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001590816829 1173518551 /nfs/dbraw/zinc/51/85/51/1173518551.db2.gz SBQAJEOJXXGBSN-UHFFFAOYSA-N -1 1 296.334 1.964 20 0 CDADMM CCOCc1cccc(Nc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001590816829 1173518555 /nfs/dbraw/zinc/51/85/55/1173518555.db2.gz SBQAJEOJXXGBSN-UHFFFAOYSA-N -1 1 296.334 1.964 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H]3CCC[C@@H]32)n1 ZINC001590907415 1173541709 /nfs/dbraw/zinc/54/17/09/1173541709.db2.gz IAQNAZWGSNLZFU-PWSUYJOCSA-N -1 1 299.382 1.988 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H]3CCC[C@@H]32)n1 ZINC001590907415 1173541714 /nfs/dbraw/zinc/54/17/14/1173541714.db2.gz IAQNAZWGSNLZFU-PWSUYJOCSA-N -1 1 299.382 1.988 20 0 CDADMM CCn1nnc(C)c1C=Cc1nc(-c2nnn[n-]2)cs1 ZINC001590971529 1173552154 /nfs/dbraw/zinc/55/21/54/1173552154.db2.gz ZUFUUEQFRRWQBL-SNAWJCMRSA-N -1 1 288.340 1.413 20 0 CDADMM CCn1nnc(C)c1C=Cc1nc(-c2nn[n-]n2)cs1 ZINC001590971529 1173552167 /nfs/dbraw/zinc/55/21/67/1173552167.db2.gz ZUFUUEQFRRWQBL-SNAWJCMRSA-N -1 1 288.340 1.413 20 0 CDADMM CCn1ncc(Nc2cccc(-c3nnn[n-]3)n2)c1C ZINC001590969589 1173553301 /nfs/dbraw/zinc/55/33/01/1173553301.db2.gz AZZTYGQJKGQOCM-UHFFFAOYSA-N -1 1 270.300 1.530 20 0 CDADMM CCn1ncc(Nc2cccc(-c3nn[n-]n3)n2)c1C ZINC001590969589 1173553306 /nfs/dbraw/zinc/55/33/06/1173553306.db2.gz AZZTYGQJKGQOCM-UHFFFAOYSA-N -1 1 270.300 1.530 20 0 CDADMM COC(=O)/C(C)=C\CNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001591228373 1173594926 /nfs/dbraw/zinc/59/49/26/1173594926.db2.gz KDGJVLPJPUKXOC-WTKPLQERSA-N -1 1 288.311 1.101 20 0 CDADMM COC(=O)/C(C)=C\CNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001591228373 1173594928 /nfs/dbraw/zinc/59/49/28/1173594928.db2.gz KDGJVLPJPUKXOC-WTKPLQERSA-N -1 1 288.311 1.101 20 0 CDADMM COC(C)(C)CC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001591315795 1173601393 /nfs/dbraw/zinc/60/13/93/1173601393.db2.gz FWIYGWDDEBXAGU-UHFFFAOYSA-N -1 1 295.368 1.360 20 0 CDADMM CO[C@](C)([C@@H](C)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001591317733 1173605633 /nfs/dbraw/zinc/60/56/33/1173605633.db2.gz HFELSRDBILURFW-YMTOWFKASA-N -1 1 288.355 1.877 20 0 CDADMM CO[C@](C)([C@@H](C)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001591317733 1173605636 /nfs/dbraw/zinc/60/56/36/1173605636.db2.gz HFELSRDBILURFW-YMTOWFKASA-N -1 1 288.355 1.877 20 0 CDADMM CO[C@@H]([C@H](C)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001591326459 1173611706 /nfs/dbraw/zinc/61/17/06/1173611706.db2.gz LLDIIGMYULHNOW-UFBFGSQYSA-N -1 1 274.328 1.487 20 0 CDADMM CO[C@@H]([C@H](C)NC(=O)c1coc(-c2nnn[n-]2)c1)C1CC1 ZINC001591326002 1173613114 /nfs/dbraw/zinc/61/31/14/1173613114.db2.gz FUZZAMVZVPKOSQ-CPCISQLKSA-N -1 1 291.311 1.003 20 0 CDADMM CO[C@@H]([C@H](C)NC(=O)c1coc(-c2nn[n-]n2)c1)C1CC1 ZINC001591326002 1173613124 /nfs/dbraw/zinc/61/31/24/1173613124.db2.gz FUZZAMVZVPKOSQ-CPCISQLKSA-N -1 1 291.311 1.003 20 0 CDADMM COCC1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001591392063 1173641971 /nfs/dbraw/zinc/64/19/71/1173641971.db2.gz HJKPEYKQOVFXMJ-UHFFFAOYSA-N -1 1 289.343 1.274 20 0 CDADMM COCC1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001591392063 1173641973 /nfs/dbraw/zinc/64/19/73/1173641973.db2.gz HJKPEYKQOVFXMJ-UHFFFAOYSA-N -1 1 289.343 1.274 20 0 CDADMM CO[C@@H]1CCCC[C@H]1Nc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001591467458 1173655459 /nfs/dbraw/zinc/65/54/59/1173655459.db2.gz IXFLSLPILSJQSM-GHMZBOCLSA-N -1 1 288.355 1.940 20 0 CDADMM CO[C@@H]1CCCC[C@H]1Nc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001591467458 1173655462 /nfs/dbraw/zinc/65/54/62/1173655462.db2.gz IXFLSLPILSJQSM-GHMZBOCLSA-N -1 1 288.355 1.940 20 0 CDADMM COc1ccc(CNc2cccnc2-c2nnn[n-]2)cn1 ZINC001591602108 1173672995 /nfs/dbraw/zinc/67/29/95/1173672995.db2.gz BEUTWVLGXFWGPR-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM COc1ccc(CNc2cccnc2-c2nn[n-]n2)cn1 ZINC001591602108 1173672999 /nfs/dbraw/zinc/67/29/99/1173672999.db2.gz BEUTWVLGXFWGPR-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM COc1cccnc1NC(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001591655132 1173676331 /nfs/dbraw/zinc/67/63/31/1173676331.db2.gz WUYQWOIODGYUNO-UHFFFAOYSA-N -1 1 286.251 1.116 20 0 CDADMM COc1cccnc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591655132 1173676335 /nfs/dbraw/zinc/67/63/35/1173676335.db2.gz WUYQWOIODGYUNO-UHFFFAOYSA-N -1 1 286.251 1.116 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CC2CCC2)c1 ZINC001591883480 1173736441 /nfs/dbraw/zinc/73/64/41/1173736441.db2.gz PJRDKYQHBROXLT-UHFFFAOYSA-N -1 1 258.329 1.806 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CC2CCC2)c1 ZINC001591883480 1173736446 /nfs/dbraw/zinc/73/64/46/1173736446.db2.gz PJRDKYQHBROXLT-UHFFFAOYSA-N -1 1 258.329 1.806 20 0 CDADMM Cc1cc(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)cs1 ZINC001591978139 1173764363 /nfs/dbraw/zinc/76/43/63/1173764363.db2.gz WDEKDRPYSCCYFU-UHFFFAOYSA-N -1 1 287.348 1.755 20 0 CDADMM Cc1cc(F)ccc1Cn1ccn2ncc(-c3nn[n-]n3)c12 ZINC001591992965 1173767917 /nfs/dbraw/zinc/76/79/17/1173767917.db2.gz ICYVSBNJAKOQTK-UHFFFAOYSA-N -1 1 297.297 1.812 20 0 CDADMM Cc1cc(F)cc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001591991898 1173768361 /nfs/dbraw/zinc/76/83/61/1173768361.db2.gz YZQYDCZSGAXILY-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1cc(F)cc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001591991898 1173768364 /nfs/dbraw/zinc/76/83/64/1173768364.db2.gz YZQYDCZSGAXILY-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1cc(NC[C@@H]2CCO[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001592045036 1173783777 /nfs/dbraw/zinc/78/37/77/1173783777.db2.gz MONLMCUWFUMBQQ-WDEREUQCSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(NC[C@@H]2CCO[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001592045036 1173783782 /nfs/dbraw/zinc/78/37/82/1173783782.db2.gz MONLMCUWFUMBQQ-WDEREUQCSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(NCCCC(C)(C)CO)cc(-c2nnn[n-]2)n1 ZINC001592046088 1173784939 /nfs/dbraw/zinc/78/49/39/1173784939.db2.gz NMPIQYJOGJHFAS-UHFFFAOYSA-N -1 1 290.371 1.781 20 0 CDADMM Cc1cc(NCCCC(C)(C)CO)cc(-c2nn[n-]n2)n1 ZINC001592046088 1173784945 /nfs/dbraw/zinc/78/49/45/1173784945.db2.gz NMPIQYJOGJHFAS-UHFFFAOYSA-N -1 1 290.371 1.781 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H]1CCO[C@@H](C)C1 ZINC001592114048 1173805712 /nfs/dbraw/zinc/80/57/12/1173805712.db2.gz MVFFLENJZGTJIR-WDEREUQCSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(N2CCC=C(F)C2)nc1-c1nnn[n-]1 ZINC001592178369 1173825296 /nfs/dbraw/zinc/82/52/96/1173825296.db2.gz WKRCIBYTXPUEDD-UHFFFAOYSA-N -1 1 260.276 1.634 20 0 CDADMM Cc1ccc(N2CCC=C(F)C2)nc1-c1nn[n-]n1 ZINC001592178369 1173825300 /nfs/dbraw/zinc/82/53/00/1173825300.db2.gz WKRCIBYTXPUEDD-UHFFFAOYSA-N -1 1 260.276 1.634 20 0 CDADMM Cc1ccc(N[C@H]2CC23CCC3)nc1-c1nnn[n-]1 ZINC001592183444 1173828771 /nfs/dbraw/zinc/82/87/71/1173828771.db2.gz DSUPTIIZDAURDK-VIFPVBQESA-N -1 1 256.313 1.925 20 0 CDADMM Cc1ccc(NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)nc1-c1nnn[n-]1 ZINC001592186215 1173831280 /nfs/dbraw/zinc/83/12/80/1173831280.db2.gz UJBMQMKRHYSIHZ-TUAOUCFPSA-N -1 1 298.350 1.573 20 0 CDADMM Cc1ccc(NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)nc1-c1nn[n-]n1 ZINC001592186215 1173831289 /nfs/dbraw/zinc/83/12/89/1173831289.db2.gz UJBMQMKRHYSIHZ-TUAOUCFPSA-N -1 1 298.350 1.573 20 0 CDADMM Cc1cccc(C)c1CCNc1ncncc1-c1nn[n-]n1 ZINC001592223567 1173832570 /nfs/dbraw/zinc/83/25/70/1173832570.db2.gz AERIPCDBHAMDBY-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc2c(c1)[C@H](Nc1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001592201660 1173832901 /nfs/dbraw/zinc/83/29/01/1173832901.db2.gz YBKAJNKQCDXNNW-GFCCVEGCSA-N -1 1 293.334 1.486 20 0 CDADMM Cc1ccoc1COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001592283607 1173845388 /nfs/dbraw/zinc/84/53/88/1173845388.db2.gz JPGRVLUSMSEYIO-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1ccoc1COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001592283607 1173845393 /nfs/dbraw/zinc/84/53/93/1173845393.db2.gz JPGRVLUSMSEYIO-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2C[C@@H](C)[C@H](C)C2)n1 ZINC001592337621 1173859056 /nfs/dbraw/zinc/85/90/56/1173859056.db2.gz MCGALANHTMPELR-HTQZYQBOSA-N -1 1 259.317 1.057 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2C[C@@H](C)[C@H](C)C2)n1 ZINC001592337621 1173859060 /nfs/dbraw/zinc/85/90/60/1173859060.db2.gz MCGALANHTMPELR-HTQZYQBOSA-N -1 1 259.317 1.057 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(Cc2ccc(F)cn2)c1C ZINC001592340661 1173861931 /nfs/dbraw/zinc/86/19/31/1173861931.db2.gz ZHOMHGFKSKQURT-UHFFFAOYSA-N -1 1 273.275 1.262 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2ccc(F)cn2)c1C ZINC001592340661 1173861935 /nfs/dbraw/zinc/86/19/35/1173861935.db2.gz ZHOMHGFKSKQURT-UHFFFAOYSA-N -1 1 273.275 1.262 20 0 CDADMM Cc1nc(Sc2cc(-c3nnn[n-]3)ncn2)sc1C ZINC001592399097 1173881899 /nfs/dbraw/zinc/88/18/99/1173881899.db2.gz KBCPHXWINAYRAY-UHFFFAOYSA-N -1 1 291.365 1.881 20 0 CDADMM Cc1nc(Sc2cc(-c3nn[n-]n3)ncn2)sc1C ZINC001592399097 1173881901 /nfs/dbraw/zinc/88/19/01/1173881901.db2.gz KBCPHXWINAYRAY-UHFFFAOYSA-N -1 1 291.365 1.881 20 0 CDADMM Cc1nsc(N2CC[C@H](C)C2)c1-c1nn[n-]n1 ZINC001592472360 1173899561 /nfs/dbraw/zinc/89/95/61/1173899561.db2.gz DOEOQKHKXTYPHV-LURJTMIESA-N -1 1 250.331 1.478 20 0 CDADMM Cc1noc(C)c1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001592459627 1173898072 /nfs/dbraw/zinc/89/80/72/1173898072.db2.gz MZKWFSBIVMIQGB-UHFFFAOYSA-N -1 1 290.308 1.785 20 0 CDADMM Cc1nsc(N2CC[C@H](C(C)(C)O)C2)c1-c1nn[n-]n1 ZINC001592473019 1173898942 /nfs/dbraw/zinc/89/89/42/1173898942.db2.gz IGPIAMLQXKFUSO-QMMMGPOBSA-N -1 1 294.384 1.229 20 0 CDADMM Cc1nsc(NC(=O)N[C@@H](C)C2CC2)c1-c1nnn[n-]1 ZINC001592483963 1173903185 /nfs/dbraw/zinc/90/31/85/1173903185.db2.gz SFTBNLMNRGAYDN-YFKPBYRVSA-N -1 1 293.356 1.552 20 0 CDADMM Cc1nsc(NC(=O)N[C@@H](C)C2CC2)c1-c1nn[n-]n1 ZINC001592483963 1173903189 /nfs/dbraw/zinc/90/31/89/1173903189.db2.gz SFTBNLMNRGAYDN-YFKPBYRVSA-N -1 1 293.356 1.552 20 0 CDADMM Clc1cccc(CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001592534400 1173913371 /nfs/dbraw/zinc/91/33/71/1173913371.db2.gz NFVLHTOSJPMXDF-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM Clc1cccc(CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001592534400 1173913375 /nfs/dbraw/zinc/91/33/75/1173913375.db2.gz NFVLHTOSJPMXDF-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM Clc1nc(N2CCC3(CC3)C2)sc1-c1nnn[n-]1 ZINC001592540345 1173916558 /nfs/dbraw/zinc/91/65/58/1173916558.db2.gz ITUWVTSNNXAMLQ-UHFFFAOYSA-N -1 1 282.760 1.967 20 0 CDADMM Clc1nc(N2CCC3(CC3)C2)sc1-c1nn[n-]n1 ZINC001592540345 1173916562 /nfs/dbraw/zinc/91/65/62/1173916562.db2.gz ITUWVTSNNXAMLQ-UHFFFAOYSA-N -1 1 282.760 1.967 20 0 CDADMM FC1(F)CCC[C@H](CNc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001592628545 1173935588 /nfs/dbraw/zinc/93/55/88/1173935588.db2.gz UGROWAOFWMASCA-QMMMGPOBSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(F)CCC[C@H](CNc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001592628545 1173935598 /nfs/dbraw/zinc/93/55/98/1173935598.db2.gz UGROWAOFWMASCA-QMMMGPOBSA-N -1 1 295.297 1.894 20 0 CDADMM Fc1ccc(CNc2n[nH]cc2-c2nnn[n-]2)c(Cl)c1 ZINC001592649583 1173952160 /nfs/dbraw/zinc/95/21/60/1173952160.db2.gz LBWZRJHYTDZDSC-UHFFFAOYSA-N -1 1 293.693 1.994 20 0 CDADMM Fc1ccc(CNc2n[nH]cc2-c2nn[n-]n2)c(Cl)c1 ZINC001592649583 1173952165 /nfs/dbraw/zinc/95/21/65/1173952165.db2.gz LBWZRJHYTDZDSC-UHFFFAOYSA-N -1 1 293.693 1.994 20 0 CDADMM O=C(C[C@H]1C=CCCC1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592812242 1173995746 /nfs/dbraw/zinc/99/57/46/1173995746.db2.gz FGAZOLAVZWVSLP-NSHDSACASA-N -1 1 298.350 1.624 20 0 CDADMM O=C(C[C@H]1C=CCCC1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592812242 1173995756 /nfs/dbraw/zinc/99/57/56/1173995756.db2.gz FGAZOLAVZWVSLP-NSHDSACASA-N -1 1 298.350 1.624 20 0 CDADMM O=C(CCc1ccsc1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592855180 1173997369 /nfs/dbraw/zinc/99/73/69/1173997369.db2.gz GXUYJROQYBOILA-UHFFFAOYSA-N -1 1 289.324 1.223 20 0 CDADMM O=C(CCCCCO)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001592835109 1173997539 /nfs/dbraw/zinc/99/75/39/1173997539.db2.gz HVGZDBNXVJUGFL-UHFFFAOYSA-N -1 1 291.311 1.064 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)O[C@H]1CCC12CCC2 ZINC001592915107 1174003811 /nfs/dbraw/zinc/00/38/11/1174003811.db2.gz PWUHQJMUAKVFED-LBPRGKRZSA-N -1 1 299.334 1.680 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)O[C@H]1CCC12CCC2 ZINC001592915107 1174003818 /nfs/dbraw/zinc/00/38/18/1174003818.db2.gz PWUHQJMUAKVFED-LBPRGKRZSA-N -1 1 299.334 1.680 20 0 CDADMM O=C(NCCC1CCCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001593065061 1174022287 /nfs/dbraw/zinc/02/22/87/1174022287.db2.gz LCHUEKZWUPHSFH-UHFFFAOYSA-N -1 1 275.312 1.770 20 0 CDADMM O=C(NCCC1CCCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001593065061 1174022292 /nfs/dbraw/zinc/02/22/92/1174022292.db2.gz LCHUEKZWUPHSFH-UHFFFAOYSA-N -1 1 275.312 1.770 20 0 CDADMM O=C(Nc1ccc2n[nH]cc2c1)c1ccc(-c2nn[n-]n2)o1 ZINC001593240790 1174036156 /nfs/dbraw/zinc/03/61/56/1174036156.db2.gz PYKFDCNAJJXFFX-UHFFFAOYSA-N -1 1 295.262 1.588 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)NC1CCC=CCC1 ZINC001593244365 1174039097 /nfs/dbraw/zinc/03/90/97/1174039097.db2.gz PKVUZUXWQKBMON-UHFFFAOYSA-N -1 1 299.338 1.882 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)NC1CCC=CCC1 ZINC001593244365 1174039100 /nfs/dbraw/zinc/03/91/00/1174039100.db2.gz PKVUZUXWQKBMON-UHFFFAOYSA-N -1 1 299.338 1.882 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@H]1CCCOCC1 ZINC001593244432 1174039288 /nfs/dbraw/zinc/03/92/88/1174039288.db2.gz XNCRCDDQLSWMDW-VIFPVBQESA-N -1 1 288.311 1.017 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@H]1CCCOCC1 ZINC001593244432 1174039294 /nfs/dbraw/zinc/03/92/94/1174039294.db2.gz XNCRCDDQLSWMDW-VIFPVBQESA-N -1 1 288.311 1.017 20 0 CDADMM O=C(Nn1cnc2ccccc21)c1ccc(-c2nn[n-]n2)o1 ZINC001593275674 1174046608 /nfs/dbraw/zinc/04/66/08/1174046608.db2.gz HBZHJQIKDXLTSV-UHFFFAOYSA-N -1 1 295.262 1.193 20 0 CDADMM O=C(O[C@H]1CCCCC1=O)c1ccc(-c2nn[n-]n2)o1 ZINC001593279630 1174048617 /nfs/dbraw/zinc/04/86/17/1174048617.db2.gz ABUSDWUKIXIVBY-QMMMGPOBSA-N -1 1 276.252 1.128 20 0 CDADMM O=C(OCn1ccnc1-c1nnn[n-]1)OC1CCCCC1 ZINC001593306214 1174060203 /nfs/dbraw/zinc/06/02/03/1174060203.db2.gz QFCADLLWAIDDEA-UHFFFAOYSA-N -1 1 292.299 1.507 20 0 CDADMM O=C(OCn1ccnc1-c1nn[n-]n1)OC1CCCCC1 ZINC001593306214 1174060206 /nfs/dbraw/zinc/06/02/06/1174060206.db2.gz QFCADLLWAIDDEA-UHFFFAOYSA-N -1 1 292.299 1.507 20 0 CDADMM OC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CCCCC1 ZINC001593526897 1174102047 /nfs/dbraw/zinc/10/20/47/1174102047.db2.gz TWUFRRZGYJOBHW-NSHDSACASA-N -1 1 289.343 1.010 20 0 CDADMM OC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC001593526897 1174102053 /nfs/dbraw/zinc/10/20/53/1174102053.db2.gz TWUFRRZGYJOBHW-NSHDSACASA-N -1 1 289.343 1.010 20 0 CDADMM Oc1ccc(CCCNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001593540755 1174111311 /nfs/dbraw/zinc/11/13/11/1174111311.db2.gz NZWPUNBRZMLJPS-UHFFFAOYSA-N -1 1 297.322 1.407 20 0 CDADMM Oc1ccc(CCCNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001593540755 1174111316 /nfs/dbraw/zinc/11/13/16/1174111316.db2.gz NZWPUNBRZMLJPS-UHFFFAOYSA-N -1 1 297.322 1.407 20 0 CDADMM c1cc(NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)cc(-c2nnn[n-]2)n1 ZINC001593557982 1174134029 /nfs/dbraw/zinc/13/40/29/1174134029.db2.gz FIXIPKLRCLZHJG-GAFUQQFSSA-N -1 1 286.339 1.053 20 0 CDADMM c1cc(NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)cc(-c2nn[n-]n2)n1 ZINC001593557982 1174134032 /nfs/dbraw/zinc/13/40/32/1174134032.db2.gz FIXIPKLRCLZHJG-GAFUQQFSSA-N -1 1 286.339 1.053 20 0 CDADMM c1cc(N2CCC[C@@H]2C2CC2)nc(-c2nn[n-]n2)n1 ZINC001593559473 1174135231 /nfs/dbraw/zinc/13/52/31/1174135231.db2.gz OSJAPIIPPYMFKY-SECBINFHSA-N -1 1 257.301 1.036 20 0 CDADMM c1c(Nc2ccnc(-c3nnn[n-]3)c2)nn2c1CCCC2 ZINC001593560535 1174136144 /nfs/dbraw/zinc/13/61/44/1174136144.db2.gz FGJRPPOFICCZDE-UHFFFAOYSA-N -1 1 282.311 1.538 20 0 CDADMM c1c(Nc2ccnc(-c3nn[n-]n3)c2)nn2c1CCCC2 ZINC001593560535 1174136148 /nfs/dbraw/zinc/13/61/48/1174136148.db2.gz FGJRPPOFICCZDE-UHFFFAOYSA-N -1 1 282.311 1.538 20 0 CDADMM c1ccc2c(c1)CC(CNc1cnc(-c3nnn[n-]3)cn1)C2 ZINC001593581617 1174147122 /nfs/dbraw/zinc/14/71/22/1174147122.db2.gz SOSWFFCXDWMZAU-UHFFFAOYSA-N -1 1 293.334 1.484 20 0 CDADMM c1ccc2c(c1)CC(CNc1cnc(-c3nn[n-]n3)cn1)C2 ZINC001593581617 1174147129 /nfs/dbraw/zinc/14/71/29/1174147129.db2.gz SOSWFFCXDWMZAU-UHFFFAOYSA-N -1 1 293.334 1.484 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CSc1cnccn1 ZINC001593588368 1174155319 /nfs/dbraw/zinc/15/53/19/1174155319.db2.gz WHYFXXLMZAOSSZ-UHFFFAOYSA-N -1 1 260.282 1.542 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1CSc1cnccn1 ZINC001593588368 1174155324 /nfs/dbraw/zinc/15/53/24/1174155324.db2.gz WHYFXXLMZAOSSZ-UHFFFAOYSA-N -1 1 260.282 1.542 20 0 CDADMM O=C(NC1(c2nn[n-]n2)CCC1)c1onc2ccccc21 ZINC001593864426 1174174174 /nfs/dbraw/zinc/17/41/74/1174174174.db2.gz YLRPXNKAOMHNLP-UHFFFAOYSA-N -1 1 284.279 1.150 20 0 CDADMM CON(C(=O)c1ccc(Cl)cc1O)[C@@H](C)C(=O)[O-] ZINC001594038468 1174177332 /nfs/dbraw/zinc/17/73/32/1174177332.db2.gz FHQVDPAJEXLZLC-LURJTMIESA-N -1 1 273.672 1.522 20 0 CDADMM Cn1c2ccccc2nc1NC(=O)c1ccc([O-])cn1 ZINC001595056722 1174195682 /nfs/dbraw/zinc/19/56/82/1174195682.db2.gz ROMZJKHZYTWKSI-UHFFFAOYSA-N -1 1 268.276 1.926 20 0 CDADMM Cc1cc(C(=O)[O-])oc1C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC001600129031 1174371304 /nfs/dbraw/zinc/37/13/04/1174371304.db2.gz FODBWEQAPVPSAG-IUCAKERBSA-N -1 1 266.297 1.109 20 0 CDADMM Cc1cc(CNC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)n[nH]1 ZINC001600198567 1174403850 /nfs/dbraw/zinc/40/38/50/1174403850.db2.gz OIAZAGNSGMUMQI-XJKSGUPXSA-N -1 1 299.330 1.593 20 0 CDADMM Cc1cc(=O)[n-]c([C@H](C)[NH2+][C@H]2CCC[C@@H]2C(=O)[O-])n1 ZINC001600286070 1174439116 /nfs/dbraw/zinc/43/91/16/1174439116.db2.gz GTRBFCKWQWBAGA-GUBZILKMSA-N -1 1 265.313 1.395 20 0 CDADMM Cc1ccc2nc(CN[C@@]3(CC(=O)[O-])CCOC3)cn2c1 ZINC001600503595 1174491013 /nfs/dbraw/zinc/49/10/13/1174491013.db2.gz NIUWARBXNRMUES-OAHLLOKOSA-N -1 1 289.335 1.366 20 0 CDADMM Cc1cnc([C@H](C)N2CCC([C@H](O)C(=O)[O-])CC2)cn1 ZINC001600618038 1174532037 /nfs/dbraw/zinc/53/20/37/1174532037.db2.gz CYOZAYVJHOJLIX-GWCFXTLKSA-N -1 1 279.340 1.004 20 0 CDADMM Cc1nnc(S[C@H](C)C(=O)C(C)(C)C(=O)[O-])[nH]1 ZINC001600798848 1174617037 /nfs/dbraw/zinc/61/70/37/1174617037.db2.gz FYANNZGAPHBVGF-RXMQYKEDSA-N -1 1 257.315 1.274 20 0 CDADMM Cc1n[nH]c(S[C@H](C)C(=O)C(C)(C)C(=O)[O-])n1 ZINC001600798848 1174617041 /nfs/dbraw/zinc/61/70/41/1174617041.db2.gz FYANNZGAPHBVGF-RXMQYKEDSA-N -1 1 257.315 1.274 20 0 CDADMM Cc1oc(C(=O)[O-])cc1C(=O)OCCN1CCCCC1 ZINC001600828708 1174632852 /nfs/dbraw/zinc/63/28/52/1174632852.db2.gz ZJKKLEXSWKQERA-UHFFFAOYSA-N -1 1 281.308 1.929 20 0 CDADMM Cn1cc(CNCc2cc(C(=O)[O-])c3n2CCCC3)cn1 ZINC001600954763 1174678315 /nfs/dbraw/zinc/67/83/15/1174678315.db2.gz NBAXIBYWZPVNND-UHFFFAOYSA-N -1 1 288.351 1.546 20 0 CDADMM NCc1cc(C(=O)N[C@H](CC(=O)[O-])C2CCCC2)co1 ZINC001601190366 1174784000 /nfs/dbraw/zinc/78/40/00/1174784000.db2.gz GOZOHHUMQDBRCS-GFCCVEGCSA-N -1 1 280.324 1.502 20 0 CDADMM O=C([O-])[C@H](NC(=O)c1cc2[nH]cnc2cc1F)C1CC1 ZINC001601393418 1174854850 /nfs/dbraw/zinc/85/48/50/1174854850.db2.gz PFEYSXQFKIOXCT-LLVKDONJSA-N -1 1 277.255 1.295 20 0 CDADMM O=C([O-])c1n[nH]cc1NC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC001601580669 1174907441 /nfs/dbraw/zinc/90/74/41/1174907441.db2.gz LNKQFWGUHCFHBJ-UHFFFAOYSA-N -1 1 298.258 1.202 20 0 CDADMM O=C([O-])[C@H](c1cccnc1)N1CCc2c(O)cccc2C1 ZINC001601696666 1174948593 /nfs/dbraw/zinc/94/85/93/1174948593.db2.gz JADQPVZKQPQYMF-HNNXBMFYSA-N -1 1 284.315 1.971 20 0 CDADMM O=C([O-])[C@H](c1ccccc1)N1CCN2C(=O)OCC[C@@H]2C1 ZINC001601696619 1174948701 /nfs/dbraw/zinc/94/87/01/1174948701.db2.gz SIGIPABJPJUABR-OLZOCXBDSA-N -1 1 290.319 1.339 20 0 CDADMM O=C([O-])[C@@H](c1cccnc1)N1CCC(F)(F)[C@H](CO)C1 ZINC001601698060 1174951102 /nfs/dbraw/zinc/95/11/02/1174951102.db2.gz HPXVBXDFCKEHIL-WDEREUQCSA-N -1 1 286.278 1.157 20 0 CDADMM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1ccc(CNCCF)cc1 ZINC001601781302 1175004506 /nfs/dbraw/zinc/00/45/06/1175004506.db2.gz NNKXGBZIIQTSIC-OLZOCXBDSA-N -1 1 294.326 1.083 20 0 CDADMM O=C([O-])[C@@H]1CCCC[C@H]1CN1CCO[C@H](C(F)F)C1 ZINC001601813218 1175019667 /nfs/dbraw/zinc/01/96/67/1175019667.db2.gz LHSRKRNJUPTVAB-AXFHLTTASA-N -1 1 277.311 1.843 20 0 CDADMM O=C([O-])C[N@@H+](CCOc1cccc(C(=O)[O-])c1)C1CCC1 ZINC001602056353 1175120581 /nfs/dbraw/zinc/12/05/81/1175120581.db2.gz YNZSYGYTCCKHEH-UHFFFAOYSA-N -1 1 293.319 1.703 20 0 CDADMM O=C([O-])C[N@@H+](Cc1ccccc1C(=O)[O-])C1CCC1 ZINC001602060299 1175122841 /nfs/dbraw/zinc/12/28/41/1175122841.db2.gz 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C[C@H](C(=O)[O-])N1CCN(c2nc(F)c(F)cc2F)CC1 ZINC001588596810 959378792 /nfs/dbraw/zinc/37/87/92/959378792.db2.gz FPMYKNDMUBTOKV-SSDOTTSWSA-N -1 1 289.257 1.094 20 0 CDADMM Cc1nc2cc(NCc3c(C(=O)[O-])cnn3C)ccc2n1C ZINC001594462767 959473456 /nfs/dbraw/zinc/47/34/56/959473456.db2.gz GSNJYMDSUNWHML-UHFFFAOYSA-N -1 1 299.334 1.926 20 0 CDADMM Cc1noc(C)c1[N-]C(=O)c1cc(CN(C)C)on1 ZINC001335208813 959637578 /nfs/dbraw/zinc/63/75/78/959637578.db2.gz GHICHPMUWQAQME-UHFFFAOYSA-N -1 1 264.285 1.593 20 0 CDADMM CN(CCN(C)C(=O)C(C)(C)F)C(=O)c1ncccc1[O-] ZINC001431300446 959701973 /nfs/dbraw/zinc/70/19/73/959701973.db2.gz JVEYUKYQULONRN-UHFFFAOYSA-N -1 1 297.330 1.066 20 0 CDADMM CC(C)(C)C[C@H]1CC(=O)N(CN2CC[C@H](C(=O)[O-])C2)C1 ZINC001588645485 959733195 /nfs/dbraw/zinc/73/31/95/959733195.db2.gz OSZURCLFJLNFBH-NEPJUHHUSA-N -1 1 282.384 1.635 20 0 CDADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(CC[S@@](=O)C(F)(F)F)C1 ZINC001573699958 959822376 /nfs/dbraw/zinc/82/23/76/959822376.db2.gz XQBYXBHQSWKRTH-VUNLKDGVSA-N -1 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1 293.739 1.998 20 0 CDADMM Cc1cc(C[N-]S(=O)(=O)c2cccnc2Cl)on1 ZINC000045006545 175288366 /nfs/dbraw/zinc/28/83/66/175288366.db2.gz JDFWRIYANIYQTH-UHFFFAOYSA-N -1 1 287.728 1.510 20 0 CDADMM C=COCCOC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001588716738 1173100450 /nfs/dbraw/zinc/10/04/50/1173100450.db2.gz JYZITKNURHDOOC-UHFFFAOYSA-N -1 1 264.241 1.085 20 0 CDADMM C=COCCOC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001588716738 1173100454 /nfs/dbraw/zinc/10/04/54/1173100454.db2.gz JYZITKNURHDOOC-UHFFFAOYSA-N -1 1 264.241 1.085 20 0 CDADMM CC(C)(C)SCC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589209157 1173128712 /nfs/dbraw/zinc/12/87/12/1173128712.db2.gz VDHUGJINCIVRSS-UHFFFAOYSA-N -1 1 292.368 1.732 20 0 CDADMM CC(C)(C)SCC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589209157 1173128716 /nfs/dbraw/zinc/12/87/16/1173128716.db2.gz VDHUGJINCIVRSS-UHFFFAOYSA-N -1 1 292.368 1.732 20 0 CDADMM CC(C)[C@@H](C)Sc1ncncc1-c1nnn[n-]1 ZINC001589436641 1173144509 /nfs/dbraw/zinc/14/45/09/1173144509.db2.gz CZWKHJUITYTREI-SSDOTTSWSA-N -1 1 250.331 1.793 20 0 CDADMM CC(C)[C@@H](C)Sc1ncncc1-c1nn[n-]n1 ZINC001589436641 1173144514 /nfs/dbraw/zinc/14/45/14/1173144514.db2.gz CZWKHJUITYTREI-SSDOTTSWSA-N -1 1 250.331 1.793 20 0 CDADMM CC(C)N(C)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589678677 1173168760 /nfs/dbraw/zinc/16/87/60/1173168760.db2.gz OCBCJGIAQKRBEU-UHFFFAOYSA-N -1 1 259.317 1.379 20 0 CDADMM CC(C)N(C)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589678677 1173168766 /nfs/dbraw/zinc/16/87/66/1173168766.db2.gz OCBCJGIAQKRBEU-UHFFFAOYSA-N -1 1 259.317 1.379 20 0 CDADMM CNC(=O)C[C@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000323093465 260274980 /nfs/dbraw/zinc/27/49/80/260274980.db2.gz XSCMRDWVQGZIBV-ZETCQYMHSA-N -1 1 270.716 1.300 20 0 CDADMM CC(C)(C)c1noc(CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n1 ZINC000652515077 424515507 /nfs/dbraw/zinc/51/55/07/424515507.db2.gz NUSQOKIVGFELHF-WDEREUQCSA-N -1 1 293.367 1.910 20 0 CDADMM O=C([O-])CC1(NC(=O)[C@H]2CCCc3[nH]ncc32)CCC1 ZINC000653321962 424592594 /nfs/dbraw/zinc/59/25/94/424592594.db2.gz FXUWCTGDCYASGN-VIFPVBQESA-N -1 1 277.324 1.343 20 0 CDADMM CC1(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)CC1 ZINC001590069627 1173242012 /nfs/dbraw/zinc/24/20/12/1173242012.db2.gz PVTRAIQUHQNPJX-UHFFFAOYSA-N -1 1 273.300 1.206 20 0 CDADMM C[C@@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)[C@H](C)O1 ZINC001590210743 1173295909 /nfs/dbraw/zinc/29/59/09/1173295909.db2.gz ZPLDTLDZCPWXCC-KHQFGBGNSA-N -1 1 260.301 1.240 20 0 CDADMM C[C@@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)[C@H](C)O1 ZINC001590210743 1173295913 /nfs/dbraw/zinc/29/59/13/1173295913.db2.gz ZPLDTLDZCPWXCC-KHQFGBGNSA-N -1 1 260.301 1.240 20 0 CDADMM CCC(C)(C)OC1CN(c2ncncc2-c2nn[n-]n2)C1 ZINC001590376502 1173380421 /nfs/dbraw/zinc/38/04/21/1173380421.db2.gz FGPHVMYGPOAAHJ-UHFFFAOYSA-N -1 1 289.343 1.051 20 0 CDADMM CC[C@@H](C)[C@H](C)C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001590398062 1173387963 /nfs/dbraw/zinc/38/79/63/1173387963.db2.gz WCHZAMCOLHHRDA-ZJUUUORDSA-N -1 1 289.339 1.959 20 0 CDADMM CC1(C)C(c2cc([N-]S(C)(=O)=O)n[nH]2)C1(C)C ZINC000336260243 278183702 /nfs/dbraw/zinc/18/37/02/278183702.db2.gz BLEUKECVDWOZPC-UHFFFAOYSA-N -1 1 257.359 1.931 20 0 CDADMM C[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C[C@H](C)O1 ZINC000073653977 288061572 /nfs/dbraw/zinc/06/15/72/288061572.db2.gz NWKURABBGXMPEF-AOOOYVTPSA-N -1 1 287.319 1.585 20 0 CDADMM C[C@@H](Cc1ccc(O)cc1)NC(=O)c1cncc([O-])c1 ZINC000132179157 279698646 /nfs/dbraw/zinc/69/86/46/279698646.db2.gz FMFILFFYZWRJGS-JTQLQIEISA-N -1 1 272.304 1.854 20 0 CDADMM COC(=O)c1c[n-]c(SCCOCC2CC2)n1 ZINC000193553236 280000352 /nfs/dbraw/zinc/00/03/52/280000352.db2.gz CJBPRIXEMVIDTC-UHFFFAOYSA-N -1 1 256.327 1.715 20 0 CDADMM O=C(N[C@H]1CCSc2c(F)cccc21)c1cnn[nH]1 ZINC000193724594 280009832 /nfs/dbraw/zinc/00/98/32/280009832.db2.gz KVNRNVWHXKMFKS-VIFPVBQESA-N -1 1 278.312 1.911 20 0 CDADMM C[C@@H](O)[C@@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000305234357 280614677 /nfs/dbraw/zinc/61/46/77/280614677.db2.gz NAYYCSOAFMIYNK-NXEZZACHSA-N -1 1 267.300 1.764 20 0 CDADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCC(F)(F)C[C@@H]1C ZINC000528546652 281258526 /nfs/dbraw/zinc/25/85/26/281258526.db2.gz CWSPOIYSSKPJIW-LURJTMIESA-N -1 1 295.311 1.204 20 0 CDADMM Cc1ccccc1-c1nc(C(=O)Nc2nn[n-]n2)cs1 ZINC000034613549 281327192 /nfs/dbraw/zinc/32/71/92/281327192.db2.gz URYHFISJBNNEEC-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM COCC1(C(=O)Nc2cccc(F)c2[O-])CCOCC1 ZINC000530006899 281415058 /nfs/dbraw/zinc/41/50/58/281415058.db2.gz XGWUWTNQCAKMPD-UHFFFAOYSA-N -1 1 283.299 1.913 20 0 CDADMM C[C@@H]1[C@H](C(=O)Nc2nnn[n-]2)CCN1c1ccccc1 ZINC000356476017 289001085 /nfs/dbraw/zinc/00/10/85/289001085.db2.gz JRMIGMPRBPEJLI-MWLCHTKSSA-N -1 1 272.312 1.053 20 0 CDADMM C[C@@H]1[C@H](C(=O)Nc2nn[n-]n2)CCN1c1ccccc1 ZINC000356476017 289001088 /nfs/dbraw/zinc/00/10/88/289001088.db2.gz JRMIGMPRBPEJLI-MWLCHTKSSA-N -1 1 272.312 1.053 20 0 CDADMM CCS(=O)(=O)[N-]c1n[nH]c(SC(C)C)n1 ZINC000152835464 289147847 /nfs/dbraw/zinc/14/78/47/289147847.db2.gz XVTVGJRZQHVMKT-UHFFFAOYSA-N -1 1 250.349 1.067 20 0 CDADMM CCS(=O)(=O)[N-]c1nc(SC(C)C)n[nH]1 ZINC000152835464 289147848 /nfs/dbraw/zinc/14/78/48/289147848.db2.gz XVTVGJRZQHVMKT-UHFFFAOYSA-N -1 1 250.349 1.067 20 0 CDADMM C[C@@]1(CNC(=O)c2ncccc2[O-])CCO[C@H]1C1CC1 ZINC000373243064 289173639 /nfs/dbraw/zinc/17/36/39/289173639.db2.gz KMOAHYGCLUFSQS-ZFWWWQNUSA-N -1 1 276.336 1.722 20 0 CDADMM CCC(=O)C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000548297690 289864973 /nfs/dbraw/zinc/86/49/73/289864973.db2.gz ANJZHEMPFPRPED-UHFFFAOYSA-N -1 1 267.306 1.690 20 0 CDADMM COc1cccc(CS(=O)(=O)c2ccc([O-])cc2)n1 ZINC000163435924 292841046 /nfs/dbraw/zinc/84/10/46/292841046.db2.gz ULOPNZUKEIZELX-UHFFFAOYSA-N -1 1 279.317 1.770 20 0 CDADMM CC(C)c1cc(NC[C@@H](C)C(=O)[O-])nc(N(C)C)n1 ZINC000563214148 293314658 /nfs/dbraw/zinc/31/46/58/293314658.db2.gz PEXNGSOMFWJBHN-SECBINFHSA-N -1 1 266.345 1.221 20 0 CDADMM CO[N-]C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000115327741 293373647 /nfs/dbraw/zinc/37/36/47/293373647.db2.gz LABWUWKERULHHJ-TZMCWYRMSA-N -1 1 292.335 1.282 20 0 CDADMM CCOC(=O)[C@H]1CCCCN1CCCCC(=O)[O-] ZINC000568274649 294007243 /nfs/dbraw/zinc/00/72/43/294007243.db2.gz JJEYAIIGRJGBFG-LLVKDONJSA-N -1 1 257.330 1.659 20 0 CDADMM C[C@@H](CC(=O)[O-])N(C)CCCS(=O)(=O)c1ccccc1 ZINC000568883462 294119579 /nfs/dbraw/zinc/11/95/79/294119579.db2.gz JKMMQOJVDNGSRS-LBPRGKRZSA-N -1 1 299.392 1.645 20 0 CDADMM O=C([O-])c1coc(NC[C@@H](O)CCc2ccccc2)n1 ZINC000569227194 294178195 /nfs/dbraw/zinc/17/81/95/294178195.db2.gz YFWPVSLJIIOTIT-NSHDSACASA-N -1 1 276.292 1.200 20 0 CDADMM Cc1cnc(SCC(=O)N2CCCCCC2)[n-]c1=O ZINC000570528590 294257885 /nfs/dbraw/zinc/25/78/85/294257885.db2.gz FDTGKENIKHMGJX-UHFFFAOYSA-N -1 1 281.381 1.985 20 0 CDADMM Cn1cc([C@@H]2N(C(=O)c3ncccc3[O-])CC2(C)C)cn1 ZINC000573239397 294780823 /nfs/dbraw/zinc/78/08/23/294780823.db2.gz MDUCNUPFWHPLMV-ZDUSSCGKSA-N -1 1 286.335 1.744 20 0 CDADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cnc[nH]2)c1 ZINC000574804369 295056295 /nfs/dbraw/zinc/05/62/95/295056295.db2.gz ALKYBRHJMCEKKB-UHFFFAOYSA-N -1 1 265.294 1.413 20 0 CDADMM C[C@@H](CN=c1[nH]c(C(=O)[O-])co1)N(C)c1ccccc1 ZINC000574918885 295077490 /nfs/dbraw/zinc/07/74/90/295077490.db2.gz BHGGQPWGAONBBN-JTQLQIEISA-N -1 1 275.308 1.732 20 0 CDADMM CCN(C[C@@H](C)OC)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001590680469 1173489186 /nfs/dbraw/zinc/48/91/86/1173489186.db2.gz CUOIEPNQACFIGD-MRVPVSSYSA-N -1 1 296.762 1.776 20 0 CDADMM CCN(C[C@@H](C)OC)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001590680469 1173489192 /nfs/dbraw/zinc/48/91/92/1173489192.db2.gz CUOIEPNQACFIGD-MRVPVSSYSA-N -1 1 296.762 1.776 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccc([O-])cc2F)CC[S@@]1=O ZINC000277509820 299957321 /nfs/dbraw/zinc/95/73/21/299957321.db2.gz JUTGXVQMVAEQHO-ZRNGKTOUSA-N -1 1 285.340 1.514 20 0 CDADMM O=S(=O)([N-][C@@]1(C(F)(F)F)CCOC1)c1ccoc1 ZINC000336573484 304765000 /nfs/dbraw/zinc/76/50/00/304765000.db2.gz SOBFNVBNQZQTON-QMMMGPOBSA-N -1 1 285.243 1.279 20 0 CDADMM Cc1nc([C@@H]2CCCCN2C(=O)c2cncc([O-])c2)no1 ZINC000367073214 302625413 /nfs/dbraw/zinc/62/54/13/302625413.db2.gz JHHQGBVBFZYOFB-LBPRGKRZSA-N -1 1 288.307 1.846 20 0 CDADMM COC[C@H]1CCN(c2ccc(C)c(-c3nnn[n-]3)n2)C1 ZINC001591393794 1173643963 /nfs/dbraw/zinc/64/39/63/1173643963.db2.gz HNVLJZFPMHFATI-JTQLQIEISA-N -1 1 274.328 1.043 20 0 CDADMM COC[C@H]1CCN(c2ccc(C)c(-c3nn[n-]n3)n2)C1 ZINC001591393794 1173643965 /nfs/dbraw/zinc/64/39/65/1173643965.db2.gz HNVLJZFPMHFATI-JTQLQIEISA-N -1 1 274.328 1.043 20 0 CDADMM COCC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)o1)C(C)C ZINC001591400472 1173647234 /nfs/dbraw/zinc/64/72/34/1173647234.db2.gz WYECSLNWDHYZBW-SECBINFHSA-N -1 1 294.311 1.678 20 0 CDADMM CS[C@H]1CC[C@@H](Nc2ncncc2-c2nn[n-]n2)C1 ZINC001591689082 1173681792 /nfs/dbraw/zinc/68/17/92/1173681792.db2.gz CDXNOEZOJLUTGH-SFYZADRCSA-N -1 1 277.357 1.353 20 0 CDADMM C[C@@H]1C[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)CC(=O)N1 ZINC000350842378 316211751 /nfs/dbraw/zinc/21/17/51/316211751.db2.gz YITVLGRYFWJOJB-VXNVDRBHSA-N -1 1 291.282 1.963 20 0 CDADMM O=C1CC[C@@H](Cc2nc(-c3ccc([O-])cc3F)no2)CN1 ZINC000351100798 316237508 /nfs/dbraw/zinc/23/75/08/316237508.db2.gz WJIRJXSNFWNRKN-QMMMGPOBSA-N -1 1 291.282 1.650 20 0 CDADMM Cc1nc([C@@H]2CCCN(C(=O)[C@H](C(=O)[O-])C(C)C)C2)n[nH]1 ZINC000563713263 316360220 /nfs/dbraw/zinc/36/02/20/316360220.db2.gz HIANJEIHNYXJQO-GHMZBOCLSA-N -1 1 294.355 1.176 20 0 CDADMM O=S(=O)([N-]C1(CCO)CC1)c1cc2ccccc2o1 ZINC000567010795 316720499 /nfs/dbraw/zinc/72/04/99/316720499.db2.gz ZTAXQIKTAJEIQQ-UHFFFAOYSA-N -1 1 281.333 1.626 20 0 CDADMM C[C@@H]1CCC[C@H](CNc2nc3[nH][n-]cc-3c(=O)n2)[C@@H]1C ZINC000575107590 316958422 /nfs/dbraw/zinc/95/84/22/316958422.db2.gz RDWXGXYIOKOLQR-OPRDCNLKSA-N -1 1 275.356 1.916 20 0 CDADMM CC[C@@]1(C(C)C)C[C@H]1Nc1nc2[nH][n-]cc-2c(=O)n1 ZINC000577203407 317285077 /nfs/dbraw/zinc/28/50/77/317285077.db2.gz JDJQWUVVOZUGBK-RNCFNFMXSA-N -1 1 261.329 1.669 20 0 CDADMM Cc1cc(NC(=O)CSc2ncc(C)c(=O)[n-]2)n(C)n1 ZINC000577295799 317304436 /nfs/dbraw/zinc/30/44/36/317304436.db2.gz ZUEPTHWDYSJTDT-UHFFFAOYSA-N -1 1 293.352 1.263 20 0 CDADMM Cc1cc(NCCOCC(F)F)cc(-c2nnn[n-]2)n1 ZINC001592050082 1173786658 /nfs/dbraw/zinc/78/66/58/1173786658.db2.gz KMOYYSHTDFEDSG-UHFFFAOYSA-N -1 1 284.270 1.264 20 0 CDADMM Cc1cc(NCCOCC(F)F)cc(-c2nn[n-]n2)n1 ZINC001592050082 1173786669 /nfs/dbraw/zinc/78/66/69/1173786669.db2.gz KMOYYSHTDFEDSG-UHFFFAOYSA-N -1 1 284.270 1.264 20 0 CDADMM Cc1nc(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)cs1 ZINC001592363008 1173868316 /nfs/dbraw/zinc/86/83/16/1173868316.db2.gz PIVRFMHAGIHXLW-UHFFFAOYSA-N -1 1 288.336 1.150 20 0 CDADMM CCC[C@H](NC(=O)CCc1cncc(F)c1)c1nn[n-]n1 ZINC000181525040 323237513 /nfs/dbraw/zinc/23/75/13/323237513.db2.gz ONWBBQWONNOBIS-NSHDSACASA-N -1 1 292.318 1.324 20 0 CDADMM C[C@@H](NC(=O)c1c([O-])cccc1F)C(=O)N1CCCCC1 ZINC000185055347 323380851 /nfs/dbraw/zinc/38/08/51/323380851.db2.gz IEOZQTXKNHEHNL-SNVBAGLBSA-N -1 1 294.326 1.662 20 0 CDADMM O=C(NC1(CO)CCCC1)c1c([O-])cccc1F ZINC000185621435 323392200 /nfs/dbraw/zinc/39/22/00/323392200.db2.gz IFFNESXDGWQEGJ-UHFFFAOYSA-N -1 1 253.273 1.566 20 0 CDADMM COC(=O)c1csc([N-]S(=O)(=O)C2CC2)c1 ZINC000185626019 323392771 /nfs/dbraw/zinc/39/27/71/323392771.db2.gz FMVUBPOWBHAFCS-UHFFFAOYSA-N -1 1 261.324 1.439 20 0 CDADMM Cc1nc(NCC(C)(C)C[C@H](C)O)cc(-c2nnn[n-]2)n1 ZINC001592384258 1173876732 /nfs/dbraw/zinc/87/67/32/1173876732.db2.gz PYYMMXWTPCCQPP-QMMMGPOBSA-N -1 1 291.359 1.174 20 0 CDADMM Cc1nc(NCC(C)(C)C[C@H](C)O)cc(-c2nn[n-]n2)n1 ZINC001592384258 1173876737 /nfs/dbraw/zinc/87/67/37/1173876737.db2.gz PYYMMXWTPCCQPP-QMMMGPOBSA-N -1 1 291.359 1.174 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@H]1O ZINC000387839370 323779042 /nfs/dbraw/zinc/77/90/42/323779042.db2.gz FJMHZBUVLGTTMV-WRWORJQWSA-N -1 1 255.701 1.498 20 0 CDADMM O=C([O-])CCC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC001610765511 970763215 /nfs/dbraw/zinc/76/32/15/970763215.db2.gz IJGOCJIVOLCQMZ-GFCCVEGCSA-N -1 1 294.351 1.788 20 0 CDADMM C[C@H](C(=O)[O-])C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000582665184 325019308 /nfs/dbraw/zinc/01/93/08/325019308.db2.gz UCYFDUFXJQMVRT-WCBMZHEXSA-N -1 1 270.354 1.188 20 0 CDADMM O=C([O-])C(=O)NCCCc1nc2ccc(Cl)cc2[nH]1 ZINC001143422912 1159094999 /nfs/dbraw/zinc/09/49/99/1159094999.db2.gz ULRFBWZVGZCZOW-UHFFFAOYSA-N -1 1 281.699 1.350 20 0 CDADMM COC1(CNc2nc(C(=O)[O-])co2)CCCCC1 ZINC000584175265 327058595 /nfs/dbraw/zinc/05/85/95/327058595.db2.gz PVYOTACBFJLLHU-UHFFFAOYSA-N -1 1 254.286 1.556 20 0 CDADMM CCOC(=O)c1ncc(C(=O)[N-]c2n[nH]c(CC)n2)s1 ZINC001771703194 1159492417 /nfs/dbraw/zinc/49/24/17/1159492417.db2.gz YPHMWLLZUSDYIG-UHFFFAOYSA-N -1 1 295.324 1.253 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC[C@H](C)CCO ZINC000397662483 1160070661 /nfs/dbraw/zinc/07/06/61/1160070661.db2.gz JNGZZPYSGUDFAK-JTQLQIEISA-N -1 1 295.383 1.752 20 0 CDADMM O=C1CCC(Oc2[n-]c(=O)ncc2Br)CC1 ZINC001227134065 1160294701 /nfs/dbraw/zinc/29/47/01/1160294701.db2.gz UHIZOJQAJKJQLS-UHFFFAOYSA-N -1 1 287.113 1.835 20 0 CDADMM O=C([O-])CCCCNC(=O)NCc1ccc2cncn2c1 ZINC000666552042 482242986 /nfs/dbraw/zinc/24/29/86/482242986.db2.gz XKPZZEWOGJMWBO-UHFFFAOYSA-N -1 1 290.323 1.388 20 0 CDADMM Cn1cnc2cccc(C(=O)Nc3ccncc3[O-])c21 ZINC000670815123 482469731 /nfs/dbraw/zinc/46/97/31/482469731.db2.gz JPFJODQZNBGQCU-UHFFFAOYSA-N -1 1 268.276 1.348 20 0 CDADMM COc1ccnc(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)c1OC ZINC000397026361 482497894 /nfs/dbraw/zinc/49/78/94/482497894.db2.gz VALFGRQEKXEBIW-MNOVXSKESA-N -1 1 294.351 1.784 20 0 CDADMM Cc1nnc([C@H](C)NC(=O)c2ccc([O-])c(F)c2)[nH]1 ZINC000672328817 482545506 /nfs/dbraw/zinc/54/55/06/482545506.db2.gz LSVZBOMRGQLAST-LURJTMIESA-N -1 1 264.260 1.449 20 0 CDADMM O=C(C(=O)N1CCC[C@@H]1C1CC1)c1ccc([O-])cc1 ZINC000672854433 482625558 /nfs/dbraw/zinc/62/55/58/482625558.db2.gz KCUQRNCFXAWHHS-CYBMUJFWSA-N -1 1 259.305 1.976 20 0 CDADMM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000680953560 482636196 /nfs/dbraw/zinc/63/61/96/482636196.db2.gz ZNKQOUOKANYYGD-ZJUUUORDSA-N -1 1 277.324 1.153 20 0 CDADMM CC[C@H]1CN(C(=O)c2ccc([O-])c(F)c2)CCO1 ZINC000681016919 482657405 /nfs/dbraw/zinc/65/74/05/482657405.db2.gz OEVQLZMRXHIOER-JTQLQIEISA-N -1 1 253.273 1.782 20 0 CDADMM NC(=O)[C@@H]1CCCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681017883 482659197 /nfs/dbraw/zinc/65/91/97/482659197.db2.gz FIGRKQIMRSYYHA-JTQLQIEISA-N -1 1 266.272 1.011 20 0 CDADMM O=C(C(=O)N1CC[C@]2(CCOC2)C1)c1ccc([O-])cc1 ZINC000684834178 482987544 /nfs/dbraw/zinc/98/75/44/482987544.db2.gz HZTRBKPCCXSKKL-HNNXBMFYSA-N -1 1 275.304 1.214 20 0 CDADMM O=C(N[C@@H]1CCn2ccnc2C1)c1c(F)ccc([O-])c1F ZINC000685473678 483142488 /nfs/dbraw/zinc/14/24/88/483142488.db2.gz KFUUUWRKXDEUAI-MRVPVSSYSA-N -1 1 293.273 1.612 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2nncn2-c2ccccc2)c1[O-] ZINC000678936954 483226395 /nfs/dbraw/zinc/22/63/95/483226395.db2.gz HCPATYONAQQWKM-UHFFFAOYSA-N -1 1 284.279 1.257 20 0 CDADMM CC[C@H](C)CC(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000683018853 483405649 /nfs/dbraw/zinc/40/56/49/483405649.db2.gz XVCNDASJTFVNJQ-GWCFXTLKSA-N -1 1 273.340 1.842 20 0 CDADMM CN1CCCC[C@H]1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000676212331 483438670 /nfs/dbraw/zinc/43/86/70/483438670.db2.gz CLXBFJAXAVCWHM-ZDUSSCGKSA-N -1 1 276.336 1.485 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2ccn(Cc3ccccc3)n2)c1[O-] ZINC000676694853 483562348 /nfs/dbraw/zinc/56/23/48/483562348.db2.gz PWRGNFQGFYIIQN-UHFFFAOYSA-N -1 1 297.318 1.921 20 0 CDADMM O=C([O-])c1cc(Cl)ccc1CN1CC[C@@H](CO)[C@H](O)C1 ZINC001142647053 1160757594 /nfs/dbraw/zinc/75/75/94/1160757594.db2.gz MMSXQQIYNPHPJM-GXFFZTMASA-N -1 1 299.754 1.213 20 0 CDADMM CCn1nc(C)c(C(=O)[N-]c2nc([C@H](C)OC)ns2)n1 ZINC001361383105 1160812730 /nfs/dbraw/zinc/81/27/30/1160812730.db2.gz HRDMICUGSDDGIO-ZETCQYMHSA-N -1 1 296.356 1.418 20 0 CDADMM C[C@]1([N-]S(=O)(=O)c2cc(F)c(F)cc2F)CCOC1 ZINC000158483691 534182930 /nfs/dbraw/zinc/18/29/30/534182930.db2.gz NKPLGSBZXFMKSJ-NSHDSACASA-N -1 1 295.282 1.561 20 0 CDADMM CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1ccc([O-])cc1F ZINC000182440916 521037815 /nfs/dbraw/zinc/03/78/15/521037815.db2.gz QHKCKIYKEUAWBN-DTWKUNHWSA-N -1 1 283.299 1.849 20 0 CDADMM CCCC[C@H](NC(=O)Cc1[nH]nc2ccccc21)C(=O)[O-] ZINC000184990146 521220016 /nfs/dbraw/zinc/22/00/16/521220016.db2.gz XRQFICUYAXRGOY-LBPRGKRZSA-N -1 1 289.335 1.865 20 0 CDADMM CCCc1nc(CS(=O)(=O)c2ncn[n-]2)cs1 ZINC000086169921 521520676 /nfs/dbraw/zinc/52/06/76/521520676.db2.gz XCCPNKYCMXIFAU-UHFFFAOYSA-N -1 1 272.355 1.188 20 0 CDADMM CCCc1nc(CS(=O)(=O)c2nc[n-]n2)cs1 ZINC000086169921 521520683 /nfs/dbraw/zinc/52/06/83/521520683.db2.gz XCCPNKYCMXIFAU-UHFFFAOYSA-N -1 1 272.355 1.188 20 0 CDADMM CCCN(CCC)C(=O)CN[C@@H](C(=O)[O-])C1CC1 ZINC000054523182 521635419 /nfs/dbraw/zinc/63/54/19/521635419.db2.gz HZVYQVRMBQNXEH-GFCCVEGCSA-N -1 1 256.346 1.088 20 0 CDADMM CCN1C[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)CC1=O ZINC000182878531 521728466 /nfs/dbraw/zinc/72/84/66/521728466.db2.gz HGDMAUVXLYFICU-MRVPVSSYSA-N -1 1 282.727 1.853 20 0 CDADMM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000246689716 523646414 /nfs/dbraw/zinc/64/64/14/523646414.db2.gz RLHRFOLPGFQLNK-HZNYWTHISA-N -1 1 296.392 1.597 20 0 CDADMM COC(=O)[C@H](C)CC(=O)Nc1ccc(F)cc1[O-] ZINC000340327338 523855519 /nfs/dbraw/zinc/85/55/19/523855519.db2.gz GTVJNMVIVNMXGT-SSDOTTSWSA-N -1 1 255.245 1.669 20 0 CDADMM CN1CCN(Cc2cccc([O-])c2Cl)CC1=O ZINC000334598767 523911486 /nfs/dbraw/zinc/91/14/86/523911486.db2.gz ZAZKUUFFTOFULO-UHFFFAOYSA-N -1 1 254.717 1.320 20 0 CDADMM C[C@H](CN(C)C(=O)CSc1ccccc1)c1nn[n-]n1 ZINC000183398793 524277591 /nfs/dbraw/zinc/27/75/91/524277591.db2.gz MZORQCCFSUDUNU-SNVBAGLBSA-N -1 1 291.380 1.554 20 0 CDADMM C[C@@H](CN(C)C(=O)c1cc(F)c(F)c(F)c1)c1nn[n-]n1 ZINC000183452238 524567930 /nfs/dbraw/zinc/56/79/30/524567930.db2.gz SHMYUPCTSPNYFI-LURJTMIESA-N -1 1 299.256 1.493 20 0 CDADMM C[C@@H]1CC[C@@H](CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)C1 ZINC000155643508 524579452 /nfs/dbraw/zinc/57/94/52/524579452.db2.gz XWJOOLPVNPXNAT-UTUOFQBUSA-N -1 1 277.372 1.732 20 0 CDADMM Cc1ccc(CS(=O)(=O)[N-]CC(F)F)cc1F ZINC000184176949 524634732 /nfs/dbraw/zinc/63/47/32/524634732.db2.gz BAGGALLVLZHPTG-UHFFFAOYSA-N -1 1 267.272 1.819 20 0 CDADMM C[C@H]1Cc2ccccc2N1C(=O)CN[C@H](C(=O)[O-])C1CC1 ZINC000054522781 524989216 /nfs/dbraw/zinc/98/92/16/524989216.db2.gz QPTUWJRTCYMOKW-BONVTDFDSA-N -1 1 288.347 1.417 20 0 CDADMM CS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2[O-])o1 ZINC000340328250 525244538 /nfs/dbraw/zinc/24/45/38/525244538.db2.gz QHRMRFAXKASVAW-UHFFFAOYSA-N -1 1 299.279 1.780 20 0 CDADMM C[S@@](=O)c1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000339937409 525379287 /nfs/dbraw/zinc/37/92/87/525379287.db2.gz LRGRNUVISVDTHV-LJQANCHMSA-N -1 1 276.317 1.777 20 0 CDADMM Cc1cc2nnc(SCc3nn[n-]n3)n2c2ccccc12 ZINC000353218667 525688079 /nfs/dbraw/zinc/68/80/79/525688079.db2.gz OLDRSIUYTKCUIV-UHFFFAOYSA-N -1 1 297.347 1.996 20 0 CDADMM Cc1cc(C[N@@H+](CCC(=O)[O-])CC(=O)[O-])ccc1F ZINC001600190582 1174395027 /nfs/dbraw/zinc/39/50/27/1174395027.db2.gz LXJJSAIAGGTWCP-UHFFFAOYSA-N -1 1 269.272 1.495 20 0 CDADMM CSc1nc(C)c(CCC(=O)NCCC2CC2)c(=O)[n-]1 ZINC000081020422 526211684 /nfs/dbraw/zinc/21/16/84/526211684.db2.gz CNOVYAZYKQLMGY-UHFFFAOYSA-N -1 1 295.408 1.649 20 0 CDADMM C/C=C/C[C@H](CO)NC(=O)c1cc(F)ccc1[O-] ZINC000187255275 526290534 /nfs/dbraw/zinc/29/05/34/526290534.db2.gz SEMBVDBKUFHIQK-VMZHVLLKSA-N -1 1 253.273 1.588 20 0 CDADMM CCC[C@H](NC(=O)c1cccc2c1OCO2)c1nn[n-]n1 ZINC000176756770 528205122 /nfs/dbraw/zinc/20/51/22/528205122.db2.gz KTRBCXLKCNIJFE-VIFPVBQESA-N -1 1 289.295 1.200 20 0 CDADMM CCNC(=O)c1ccc(=NC[C@@H]2CCOC(C)(C)C2)[n-]n1 ZINC000413335029 535414903 /nfs/dbraw/zinc/41/49/03/535414903.db2.gz KXLQWPHUQALSHK-LLVKDONJSA-N -1 1 292.383 1.265 20 0 CDADMM COc1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1 ZINC000095298991 536718458 /nfs/dbraw/zinc/71/84/58/536718458.db2.gz DWIYABQJXWSPGY-LLVKDONJSA-N -1 1 287.323 1.228 20 0 CDADMM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)CN(C)C(C)C ZINC001600344473 1174449866 /nfs/dbraw/zinc/44/98/66/1174449866.db2.gz KHFCPJYDKYDGGM-UHFFFAOYSA-N -1 1 280.324 1.678 20 0 CDADMM Cc1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c(C)s1 ZINC000129491542 538334053 /nfs/dbraw/zinc/33/40/53/538334053.db2.gz XHJHYMWBSYMXHP-JTQLQIEISA-N -1 1 291.380 1.898 20 0 CDADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)C2CCC2)o1 ZINC000129966140 538373914 /nfs/dbraw/zinc/37/39/14/538373914.db2.gz CBNVSGHTESMQGO-QMMMGPOBSA-N -1 1 286.353 1.106 20 0 CDADMM C[C@@H](CCCO)NC(=O)c1cc(Cl)ccc1[O-] ZINC000094945767 1174489641 /nfs/dbraw/zinc/48/96/41/1174489641.db2.gz WZGGSHJYNULFNS-QMMMGPOBSA-N -1 1 257.717 1.936 20 0 CDADMM Cc1nc([C@H](C)OC(=O)c2ccccc2C(=O)[O-])n[nH]1 ZINC001600667726 1174555157 /nfs/dbraw/zinc/55/51/57/1174555157.db2.gz YPVSVZSTAIQSAU-ZETCQYMHSA-N -1 1 275.264 1.729 20 0 CDADMM Cc1nc([C@@H](C)OC(=O)c2c[nH]c(C(=O)[O-])c2)n[nH]1 ZINC001600667027 1174555387 /nfs/dbraw/zinc/55/53/87/1174555387.db2.gz OJBAQOBGQQQGHO-RXMQYKEDSA-N -1 1 264.241 1.057 20 0 CDADMM Cc1nc([C@H](C)Sc2[nH]c(=O)nc(C)c2C(=O)[O-])n[nH]1 ZINC001600666899 1174555642 /nfs/dbraw/zinc/55/56/42/1174555642.db2.gz HJWRIDCFSOFZSV-YFKPBYRVSA-N -1 1 295.324 1.469 20 0 CDADMM Cc1n[nH]nc1C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001600675937 1174559209 /nfs/dbraw/zinc/55/92/09/1174559209.db2.gz XMZACGWHZWSADW-SNVBAGLBSA-N -1 1 280.328 1.124 20 0 CDADMM Cn1nccc1CCNC(C)(C)c1cc(C(=O)[O-])on1 ZINC001601035837 1174711201 /nfs/dbraw/zinc/71/12/01/1174711201.db2.gz VCGOVMSXIQGICH-UHFFFAOYSA-N -1 1 278.312 1.174 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](F)CN1CCC(=O)c1ccc(F)cc1 ZINC001601278295 1174823175 /nfs/dbraw/zinc/82/31/75/1174823175.db2.gz JMLGHDYRBJLDQO-RYUDHWBXSA-N -1 1 283.274 1.896 20 0 CDADMM O=C([O-])c1ccc(NC(=O)CN2CCC[C@H]2CCO)cc1 ZINC001601313047 1174830952 /nfs/dbraw/zinc/83/09/52/1174830952.db2.gz BORCONFXXKHRSV-ZDUSSCGKSA-N -1 1 292.335 1.170 20 0 CDADMM O=C([O-])[C@H]1CCCN(Cn2c(=O)oc3ccccc32)C1 ZINC000739582908 574813553 /nfs/dbraw/zinc/81/35/53/574813553.db2.gz PPWYDXVLGHAJPV-JTQLQIEISA-N -1 1 276.292 1.349 20 0 CDADMM O=C([N-]Cc1nc(-c2ccc(F)cc2)n[nH]1)C(F)(F)F ZINC000729847917 574824998 /nfs/dbraw/zinc/82/49/98/574824998.db2.gz XPRKRBPTMONFLB-UHFFFAOYSA-N -1 1 288.204 1.789 20 0 CDADMM O=C([N-]Cc1n[nH]c(-c2ccc(F)cc2)n1)C(F)(F)F ZINC000729847917 574824999 /nfs/dbraw/zinc/82/49/99/574824999.db2.gz XPRKRBPTMONFLB-UHFFFAOYSA-N -1 1 288.204 1.789 20 0 CDADMM COC(=O)[C@H](C[N-]C(=O)C(F)(F)F)c1ccc(C)cc1 ZINC000730559342 574991985 /nfs/dbraw/zinc/99/19/85/574991985.db2.gz WYFGDXDCGZOMHE-SNVBAGLBSA-N -1 1 289.253 1.930 20 0 CDADMM COCCOC1CCN(Cc2cc(C(=O)[O-])c(C)o2)CC1 ZINC000737811813 575018998 /nfs/dbraw/zinc/01/89/98/575018998.db2.gz HVWMSQKMELHRKL-UHFFFAOYSA-N -1 1 297.351 1.914 20 0 CDADMM O=C([O-])[C@]1(F)CCN(C[C@@H](O)c2ccccc2)C1 ZINC001601716824 1174964423 /nfs/dbraw/zinc/96/44/23/1174964423.db2.gz JBLPPDYJCUGKGS-YPMHNXCESA-N -1 1 253.273 1.219 20 0 CDADMM O=C([O-])[C@]1(F)CCN(CCSc2ccncc2)C1 ZINC001601716702 1174964438 /nfs/dbraw/zinc/96/44/38/1174964438.db2.gz CHIUQZQBWLRUPI-LBPRGKRZSA-N -1 1 270.329 1.672 20 0 CDADMM O=C(NCc1cccc2c1OCCO2)c1cncc([O-])c1 ZINC000732283415 575086737 /nfs/dbraw/zinc/08/67/37/575086737.db2.gz ZIWJFBYGJKPKIP-UHFFFAOYSA-N -1 1 286.287 1.488 20 0 CDADMM CCCN(C)CC(=O)Nc1ccccc1CC(=O)[O-] ZINC000737825351 575099807 /nfs/dbraw/zinc/09/98/07/575099807.db2.gz DXRHJAPAYDRYAO-UHFFFAOYSA-N -1 1 264.325 1.594 20 0 CDADMM CC[C@@H](C)[C@@H](O)CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000762438749 576645310 /nfs/dbraw/zinc/64/53/10/576645310.db2.gz CGWJCCWWFKNQLX-KOLCDFICSA-N -1 1 295.383 1.751 20 0 CDADMM CCC[C@H](NC(=O)[C@H](F)c1ccccc1)c1nn[n-]n1 ZINC000769588119 575362096 /nfs/dbraw/zinc/36/20/96/575362096.db2.gz NVXMPUFPLWMBRC-WDEREUQCSA-N -1 1 277.303 1.868 20 0 CDADMM C[C@H](CC(=O)OCc1nn[n-]n1)c1ccc(F)cc1 ZINC000735976281 575545271 /nfs/dbraw/zinc/54/52/71/575545271.db2.gz KQEGLJYYUKHMHW-MRVPVSSYSA-N -1 1 264.260 1.576 20 0 CDADMM C[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736276082 575610803 /nfs/dbraw/zinc/61/08/03/575610803.db2.gz YKZPHTGEVBNIKF-GXSJLCMTSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736276082 575610806 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O=C1N[C@H](c2ccc(-c3nn[n-]n3)s2)Nc2ccccc21 ZINC000823541286 606394814 /nfs/dbraw/zinc/39/48/14/606394814.db2.gz ODAWDZNGNXSDTK-LLVKDONJSA-N -1 1 298.331 1.782 20 0 CDADMM OCC1(CNc2nccnc2-c2nnn[n-]2)CCCCC1 ZINC000823714128 606433145 /nfs/dbraw/zinc/43/31/45/606433145.db2.gz KNRVODJGUNWUIS-UHFFFAOYSA-N -1 1 289.343 1.011 20 0 CDADMM OCC1(CNc2nccnc2-c2nn[n-]n2)CCCCC1 ZINC000823714128 606433146 /nfs/dbraw/zinc/43/31/46/606433146.db2.gz KNRVODJGUNWUIS-UHFFFAOYSA-N -1 1 289.343 1.011 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)[C@H]1C ZINC000820717519 606446406 /nfs/dbraw/zinc/44/64/06/606446406.db2.gz RHHWYMQHMKLQHA-SFYZADRCSA-N -1 1 277.353 1.799 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)[C@H]1C ZINC000820717519 606446407 /nfs/dbraw/zinc/44/64/07/606446407.db2.gz RHHWYMQHMKLQHA-SFYZADRCSA-N -1 1 277.353 1.799 20 0 CDADMM CC(C)N(C(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000820112555 606501199 /nfs/dbraw/zinc/50/11/99/606501199.db2.gz YEAPHTLHBACTFA-UHFFFAOYSA-N -1 1 277.353 1.941 20 0 CDADMM CC(C)N(C(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000820112555 606501200 /nfs/dbraw/zinc/50/12/00/606501200.db2.gz YEAPHTLHBACTFA-UHFFFAOYSA-N -1 1 277.353 1.941 20 0 CDADMM CCC(CC)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820892893 606516905 /nfs/dbraw/zinc/51/69/05/606516905.db2.gz GSZCCVMFCMVCDR-UHFFFAOYSA-N -1 1 275.312 1.741 20 0 CDADMM CCC(CC)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820892893 606516907 /nfs/dbraw/zinc/51/69/07/606516907.db2.gz GSZCCVMFCMVCDR-UHFFFAOYSA-N -1 1 275.312 1.741 20 0 CDADMM CC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820717824 606517666 /nfs/dbraw/zinc/51/76/66/606517666.db2.gz XGLFYGFGWFOYQI-UHFFFAOYSA-N -1 1 277.353 1.800 20 0 CDADMM CC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820717824 606517668 /nfs/dbraw/zinc/51/76/68/606517668.db2.gz XGLFYGFGWFOYQI-UHFFFAOYSA-N -1 1 277.353 1.800 20 0 CDADMM CC1(C)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820590465 606559670 /nfs/dbraw/zinc/55/96/70/606559670.db2.gz UKWQVPMKFPEUQI-ZETCQYMHSA-N -1 1 277.353 1.704 20 0 CDADMM CC1(C)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820590465 606559671 /nfs/dbraw/zinc/55/96/71/606559671.db2.gz UKWQVPMKFPEUQI-ZETCQYMHSA-N -1 1 277.353 1.704 20 0 CDADMM Clc1ccccc1Cn1ccnc1-c1nnn[n-]1 ZINC000822586245 606655033 /nfs/dbraw/zinc/65/50/33/606655033.db2.gz VDDWUQOXQXAZNX-UHFFFAOYSA-N -1 1 260.688 1.765 20 0 CDADMM Clc1ccccc1Cn1ccnc1-c1nn[n-]n1 ZINC000822586245 606655034 /nfs/dbraw/zinc/65/50/34/606655034.db2.gz VDDWUQOXQXAZNX-UHFFFAOYSA-N -1 1 260.688 1.765 20 0 CDADMM CC[C@H](C)C(=O)COC(=O)c1sccc1-c1nn[n-]n1 ZINC000820859019 606752021 /nfs/dbraw/zinc/75/20/21/606752021.db2.gz AHGPLXSTZYECGN-ZETCQYMHSA-N -1 1 294.336 1.700 20 0 CDADMM CC[C@H](O)CCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820931302 606879911 /nfs/dbraw/zinc/87/99/11/606879911.db2.gz DNZVFRWXPGFEGF-JTQLQIEISA-N -1 1 298.350 1.988 20 0 CDADMM CC[C@H](O)CCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820931302 606879912 /nfs/dbraw/zinc/87/99/12/606879912.db2.gz DNZVFRWXPGFEGF-JTQLQIEISA-N -1 1 298.350 1.988 20 0 CDADMM O=C(N[C@@H]1CCC(F)(F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823146191 606940967 /nfs/dbraw/zinc/94/09/67/606940967.db2.gz VGTLEJIFUCXYNF-MRVPVSSYSA-N -1 1 294.265 1.179 20 0 CDADMM O=C(N[C@@H]1CCC(F)(F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823146191 606940969 /nfs/dbraw/zinc/94/09/69/606940969.db2.gz VGTLEJIFUCXYNF-MRVPVSSYSA-N -1 1 294.265 1.179 20 0 CDADMM CCC[C@@H](CC)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821016714 607092788 /nfs/dbraw/zinc/09/27/88/607092788.db2.gz YVNOOXJMBZFDLH-SNVBAGLBSA-N -1 1 275.312 1.997 20 0 CDADMM CCC[C@@H](CC)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821016714 607092790 /nfs/dbraw/zinc/09/27/90/607092790.db2.gz YVNOOXJMBZFDLH-SNVBAGLBSA-N -1 1 275.312 1.997 20 0 CDADMM CC(C)CSCCCn1cccc(-c2nn[n-]n2)c1=O ZINC000824274883 607783723 /nfs/dbraw/zinc/78/37/23/607783723.db2.gz MHNLLMNCDWULED-UHFFFAOYSA-N -1 1 293.396 1.808 20 0 CDADMM CC(C)(C)n1cc(Nc2cccc(-c3nnn[n-]3)n2)cn1 ZINC000824152522 607897058 /nfs/dbraw/zinc/89/70/58/607897058.db2.gz GCBWSAUAYXSQEK-UHFFFAOYSA-N -1 1 284.327 1.957 20 0 CDADMM CC(C)(C)n1cc(Nc2cccc(-c3nn[n-]n3)n2)cn1 ZINC000824152522 607897059 /nfs/dbraw/zinc/89/70/59/607897059.db2.gz GCBWSAUAYXSQEK-UHFFFAOYSA-N -1 1 284.327 1.957 20 0 CDADMM Cn1nccc1CSCc1ccnc(-c2nnn[n-]2)c1 ZINC000826366667 608300068 /nfs/dbraw/zinc/30/00/68/608300068.db2.gz SPABGXDWZFIFAM-UHFFFAOYSA-N -1 1 287.352 1.429 20 0 CDADMM C(=Cc1ccncn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823861361 608317535 /nfs/dbraw/zinc/31/75/35/608317535.db2.gz FPFPXDLGGUDSII-UPHRSURJSA-N -1 1 256.294 1.889 20 0 CDADMM c1csc(CN(c2ccc(-c3nnn[n-]3)nn2)C2CC2)c1 ZINC000826526003 608395881 /nfs/dbraw/zinc/39/58/81/608395881.db2.gz HTJAFMYELAABFF-UHFFFAOYSA-N -1 1 299.363 1.887 20 0 CDADMM c1csc(CN(c2ccc(-c3nn[n-]n3)nn2)C2CC2)c1 ZINC000826526003 608395882 /nfs/dbraw/zinc/39/58/82/608395882.db2.gz HTJAFMYELAABFF-UHFFFAOYSA-N -1 1 299.363 1.887 20 0 CDADMM Cc1nc(CNc2ccc(-c3nnn[n-]3)nn2)cs1 ZINC000826326356 608400925 /nfs/dbraw/zinc/40/09/25/608400925.db2.gz MDLIOAFDFAKPAQ-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM Cc1nc(CNc2ccc(-c3nn[n-]n3)nn2)cs1 ZINC000826326356 608400926 /nfs/dbraw/zinc/40/09/26/608400926.db2.gz MDLIOAFDFAKPAQ-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM c1cc2c(cc1Nc1ccc(-c3nnn[n-]3)nn1)CCCO2 ZINC000826518410 608411218 /nfs/dbraw/zinc/41/12/18/608411218.db2.gz MUALZIVUEHMOET-UHFFFAOYSA-N -1 1 295.306 1.725 20 0 CDADMM c1cc2c(cc1Nc1ccc(-c3nn[n-]n3)nn1)CCCO2 ZINC000826518410 608411219 /nfs/dbraw/zinc/41/12/19/608411219.db2.gz MUALZIVUEHMOET-UHFFFAOYSA-N -1 1 295.306 1.725 20 0 CDADMM Oc1cccc2c1CC[C@@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826511175 608426412 /nfs/dbraw/zinc/42/64/12/608426412.db2.gz FQWGQRCLDROCAM-JTQLQIEISA-N -1 1 295.306 1.462 20 0 CDADMM Oc1cccc2c1CC[C@@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826511175 608426413 /nfs/dbraw/zinc/42/64/13/608426413.db2.gz FQWGQRCLDROCAM-JTQLQIEISA-N -1 1 295.306 1.462 20 0 CDADMM CC[C@@H](C)CN(CC)c1ccc(-c2nnn[n-]2)nn1 ZINC000825068829 608427307 /nfs/dbraw/zinc/42/73/07/608427307.db2.gz XBGOKOKRDREGAJ-SECBINFHSA-N -1 1 261.333 1.529 20 0 CDADMM CC[C@@H](C)CN(CC)c1ccc(-c2nn[n-]n2)nn1 ZINC000825068829 608427310 /nfs/dbraw/zinc/42/73/10/608427310.db2.gz XBGOKOKRDREGAJ-SECBINFHSA-N -1 1 261.333 1.529 20 0 CDADMM Cc1ccccc1[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826305963 608428691 /nfs/dbraw/zinc/42/86/91/608428691.db2.gz NALWUCHZLAMWEI-LBPRGKRZSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1ccccc1[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826305963 608428692 /nfs/dbraw/zinc/42/86/92/608428692.db2.gz NALWUCHZLAMWEI-LBPRGKRZSA-N -1 1 297.322 1.111 20 0 CDADMM c1cc2c(s1)CN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000826518712 608439391 /nfs/dbraw/zinc/43/93/91/608439391.db2.gz VVODRXZBQGULKN-UHFFFAOYSA-N -1 1 285.336 1.281 20 0 CDADMM c1cc2c(s1)CN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000826518712 608439392 /nfs/dbraw/zinc/43/93/92/608439392.db2.gz VVODRXZBQGULKN-UHFFFAOYSA-N -1 1 285.336 1.281 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N(C)C[C@H]1CCOC1 ZINC000826279862 608546078 /nfs/dbraw/zinc/54/60/78/608546078.db2.gz FJWCYKRRNACJFM-SNVBAGLBSA-N -1 1 274.328 1.043 20 0 CDADMM Cc1cccc2nc(Cn3ccnc3-c3nnn[n-]3)cn21 ZINC000826305426 608888424 /nfs/dbraw/zinc/88/84/24/608888424.db2.gz WELYOGZKXMLONL-UHFFFAOYSA-N -1 1 280.295 1.068 20 0 CDADMM Cc1cccc2nc(Cn3ccnc3-c3nn[n-]n3)cn21 ZINC000826305426 608888426 /nfs/dbraw/zinc/88/84/26/608888426.db2.gz WELYOGZKXMLONL-UHFFFAOYSA-N -1 1 280.295 1.068 20 0 CDADMM O=C(O[C@H]1C=CCC1)c1sccc1-c1nn[n-]n1 ZINC000826461774 609159036 /nfs/dbraw/zinc/15/90/36/609159036.db2.gz GOHCVKYDTYRBGG-ZETCQYMHSA-N -1 1 262.294 1.804 20 0 CDADMM C/C=C(\C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000937860121 613163922 /nfs/dbraw/zinc/16/39/22/613163922.db2.gz DGFHOQSVYHLKQC-LFJXOHPOSA-N -1 1 289.335 1.084 20 0 CDADMM O=C(N[C@H]1CC12CC(O)C2)c1ncc2ccccc2c1[O-] ZINC000888950752 617450704 /nfs/dbraw/zinc/45/07/04/617450704.db2.gz HEFWNXCSLCWPAZ-YWFMTQBDSA-N -1 1 284.315 1.584 20 0 CDADMM CCC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2ncccc2[O-])C1 ZINC000958981890 614734318 /nfs/dbraw/zinc/73/43/18/614734318.db2.gz AFECADKPMBJIMW-MNOVXSKESA-N -1 1 291.351 1.164 20 0 CDADMM CC(C)CS(=O)(=O)[N-]C(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC000892661260 617568193 /nfs/dbraw/zinc/56/81/93/617568193.db2.gz JYYWFYCSYJKNGK-VIFPVBQESA-N -1 1 299.396 1.250 20 0 CDADMM O=C([O-])[C@H](CC1CCCCC1)NC(=O)Cc1cnc[nH]1 ZINC000909668589 620723659 /nfs/dbraw/zinc/72/36/59/620723659.db2.gz QOUJXYTVVHUNAM-LBPRGKRZSA-N -1 1 279.340 1.492 20 0 CDADMM CN(C(=O)CCC(C)(C)c1ccccc1)c1nn[n-]n1 ZINC000892955195 617972885 /nfs/dbraw/zinc/97/28/85/617972885.db2.gz YLBICKDJDCOYHB-UHFFFAOYSA-N -1 1 273.340 1.921 20 0 CDADMM CC[C@H]1CN(c2cc(=O)[n-]c(COC)n2)CCS1 ZINC000892731141 617673143 /nfs/dbraw/zinc/67/31/43/617673143.db2.gz AXRFGUMBHMKIGH-VIFPVBQESA-N -1 1 269.370 1.660 20 0 CDADMM O=c1[n-]nc([C@H]2CCCN(c3nccs3)C2)o1 ZINC000893666177 617815264 /nfs/dbraw/zinc/81/52/64/617815264.db2.gz QWBRCXATNONGAQ-ZETCQYMHSA-N -1 1 252.299 1.616 20 0 CDADMM C[C@@H](CSc1ccc(F)cc1)C(=O)N(C)c1nn[n-]n1 ZINC000892954597 617976172 /nfs/dbraw/zinc/97/61/72/617976172.db2.gz MVJHRDRSWVEJEQ-QMMMGPOBSA-N -1 1 295.343 1.730 20 0 CDADMM C[C@@](NC(=O)Cc1n[nH]c2c1CCCC2)(C(=O)[O-])C1CC1 ZINC000909324788 618013065 /nfs/dbraw/zinc/01/30/65/618013065.db2.gz MQHZRPNINTZBLI-HNNXBMFYSA-N -1 1 291.351 1.201 20 0 CDADMM COCc1nc(N[C@H](C)[C@H]2CCCOC2)cc(=O)[n-]1 ZINC000893110468 618183489 /nfs/dbraw/zinc/18/34/89/618183489.db2.gz JFDZFUDZMNKVNC-ZJUUUORDSA-N -1 1 267.329 1.556 20 0 CDADMM CCc1nocc1CN(C)c1cc(=O)[n-]c(COC)n1 ZINC000893989096 618238866 /nfs/dbraw/zinc/23/88/66/618238866.db2.gz PSGREUGROSNBOH-UHFFFAOYSA-N -1 1 278.312 1.515 20 0 CDADMM Cc1ccc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])nn1 ZINC000901976553 618390731 /nfs/dbraw/zinc/39/07/31/618390731.db2.gz IXLGOOPCUYOFQU-OAHLLOKOSA-N -1 1 283.331 1.797 20 0 CDADMM Cn1nc(C(F)(F)F)cc1CN(CCC(=O)[O-])C1CC1 ZINC000901972865 618413129 /nfs/dbraw/zinc/41/31/29/618413129.db2.gz UHAZTWMQJJUHLX-UHFFFAOYSA-N -1 1 291.273 1.878 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000901992818 618435935 /nfs/dbraw/zinc/43/59/35/618435935.db2.gz MMGGEWCIXNRGPE-PKZYVASSSA-N -1 1 291.351 1.540 20 0 CDADMM C[C@H](C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)N(C)C ZINC000902006572 618483307 /nfs/dbraw/zinc/48/33/07/618483307.db2.gz KKOKWSHPPLICQC-ABAIWWIYSA-N -1 1 278.352 1.095 20 0 CDADMM C[C@@H]1C(=O)N(CN2CC[C@H](C(=O)[O-])C2)[C@H]1c1ccccc1 ZINC000818085067 618498287 /nfs/dbraw/zinc/49/82/87/618498287.db2.gz LYGSSJWHHALGIA-FPMFFAJLSA-N -1 1 288.347 1.570 20 0 CDADMM CN1CCC[C@@H]1C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000910924726 618603673 /nfs/dbraw/zinc/60/36/73/618603673.db2.gz DKJJCLTWDHFUHK-QWHCGFSZSA-N -1 1 294.326 1.032 20 0 CDADMM C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H](C(=O)[O-])c1ccccn1 ZINC000828213851 618614205 /nfs/dbraw/zinc/61/42/05/618614205.db2.gz FDSKOBXLRNSNFJ-GYSYKLTISA-N -1 1 291.351 1.196 20 0 CDADMM Cn1[n-]c(COC(=O)/C(F)=C\C2CCCCC2)nc1=O ZINC000814541018 618714243 /nfs/dbraw/zinc/71/42/43/618714243.db2.gz JPBIKADAGNUBRB-JXMROGBWSA-N -1 1 283.303 1.585 20 0 CDADMM COCc1nc(N2CCC(C3(O)CC3)CC2)cc(=O)[n-]1 ZINC000894379429 618835598 /nfs/dbraw/zinc/83/55/98/618835598.db2.gz MQBQYEKARKXGSL-UHFFFAOYSA-N -1 1 279.340 1.070 20 0 CDADMM CC[C@@H](C)C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000023520458 618842771 /nfs/dbraw/zinc/84/27/71/618842771.db2.gz FCPYRAXNQLQAGV-SNVBAGLBSA-N -1 1 263.293 1.532 20 0 CDADMM COCc1nc(N[C@@H]2CCCC[C@H]2OC)cc(=O)[n-]1 ZINC000894389736 618844975 /nfs/dbraw/zinc/84/49/75/618844975.db2.gz AZPAEFPSFOQOTM-NXEZZACHSA-N -1 1 267.329 1.698 20 0 CDADMM COCc1nc(N[C@H]2COC(C)(C)C2)cc(=O)[n-]1 ZINC000894481050 618911302 /nfs/dbraw/zinc/91/13/02/618911302.db2.gz MNBZASMREVJPCP-MRVPVSSYSA-N -1 1 253.302 1.308 20 0 CDADMM CCOC(=O)c1nc([C@@H](C)Nc2nccs2)n[n-]1 ZINC000894517255 618935794 /nfs/dbraw/zinc/93/57/94/618935794.db2.gz UVUCTXQTYNXTIQ-ZCFIWIBFSA-N -1 1 267.314 1.611 20 0 CDADMM CCOC(=O)c1nnc([C@@H](C)Nc2nccs2)[n-]1 ZINC000894517255 618935796 /nfs/dbraw/zinc/93/57/96/618935796.db2.gz UVUCTXQTYNXTIQ-ZCFIWIBFSA-N -1 1 267.314 1.611 20 0 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293.348 1.588 20 0 CDADMM O=C(N[C@H](CO)C[C@H]1CCCO1)c1ccc(Cl)cc1[O-] ZINC000899307499 622163807 /nfs/dbraw/zinc/16/38/07/622163807.db2.gz HLXQMGXJQAECEO-WDEREUQCSA-N -1 1 299.754 1.705 20 0 CDADMM Cc1ccc([C@H](CC(=O)NC[C@@H]2CCN2C)C(=O)[O-])cc1 ZINC000899836250 622468045 /nfs/dbraw/zinc/46/80/45/622468045.db2.gz SNTRJVJUILRUQI-KBPBESRZSA-N -1 1 290.363 1.374 20 0 CDADMM CC(C)COCCCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900017064 622644551 /nfs/dbraw/zinc/64/45/51/622644551.db2.gz ZQYWDMCOMFVHKZ-UHFFFAOYSA-N -1 1 293.367 1.852 20 0 CDADMM CCCn1cc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cn1 ZINC000900858657 623575382 /nfs/dbraw/zinc/57/53/82/623575382.db2.gz ABWWPNDKVYXXBX-UHFFFAOYSA-N -1 1 287.323 1.918 20 0 CDADMM COCCN(CCC(=O)[O-])c1ccnc(C)c1Cl ZINC000900979975 623745838 /nfs/dbraw/zinc/74/58/38/623745838.db2.gz SXVFRBJAJAIISW-UHFFFAOYSA-N -1 1 272.732 1.971 20 0 CDADMM CC(C)(O)[C@@H]1CCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901157588 623919047 /nfs/dbraw/zinc/91/90/47/623919047.db2.gz 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-1 1 287.290 1.875 20 0 CDADMM CCCCS[C@@H](C)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001604189351 1163119761 /nfs/dbraw/zinc/11/97/61/1163119761.db2.gz BGPLGRJFGZQIPP-ZETCQYMHSA-N -1 1 295.372 1.450 20 0 CDADMM CCCOC(=O)Oc1ccc(F)nc1-c1nn[n-]n1 ZINC001604228172 1163129281 /nfs/dbraw/zinc/12/92/81/1163129281.db2.gz DSMBRRZIIRVYAZ-UHFFFAOYSA-N -1 1 267.220 1.326 20 0 CDADMM C[C@H](Cn1cncn1)NCc1ccc(/C=C/C(=O)[O-])o1 ZINC001604249469 1163134097 /nfs/dbraw/zinc/13/40/97/1163134097.db2.gz OBQFTVLZBLPZBK-ORAHPGNNSA-N -1 1 276.296 1.147 20 0 CDADMM CCN(C(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1)C1CC1 ZINC001604264399 1163138596 /nfs/dbraw/zinc/13/85/96/1163138596.db2.gz XXNVJCZFKJHNIM-UHFFFAOYSA-N -1 1 296.334 1.973 20 0 CDADMM CCN(Cc1ccccc1F)c1ccnc(-c2nn[n-]n2)n1 ZINC001604324976 1163149331 /nfs/dbraw/zinc/14/93/31/1163149331.db2.gz RWAALYGRFMWUTA-UHFFFAOYSA-N -1 1 299.313 1.822 20 0 CDADMM CCN(Cc1ccoc1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001604324738 1163149568 /nfs/dbraw/zinc/14/95/68/1163149568.db2.gz IMYWYMQVWLQNQE-UHFFFAOYSA-N -1 1 287.279 1.715 20 0 CDADMM CCN(Cc1ccoc1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001604324738 1163149574 /nfs/dbraw/zinc/14/95/74/1163149574.db2.gz IMYWYMQVWLQNQE-UHFFFAOYSA-N -1 1 287.279 1.715 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2Cc3cccnc3C2)n1 ZINC001604548234 1163227296 /nfs/dbraw/zinc/22/72/96/1163227296.db2.gz FOGWNEHAHCTXHZ-UHFFFAOYSA-N -1 1 294.322 1.134 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2Cc3cccnc3C2)n1 ZINC001604548234 1163227301 /nfs/dbraw/zinc/22/73/01/1163227301.db2.gz FOGWNEHAHCTXHZ-UHFFFAOYSA-N -1 1 294.322 1.134 20 0 CDADMM CC1=CC[C@](C)(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])CC1 ZINC001604615860 1163250687 /nfs/dbraw/zinc/25/06/87/1163250687.db2.gz UFJXLQFCJAXMTB-DOMZBBRYSA-N -1 1 291.351 1.658 20 0 CDADMM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2Cl)C[C@@H]1O ZINC001604796219 1163325952 /nfs/dbraw/zinc/32/59/52/1163325952.db2.gz BKZFGYTWWBUHRQ-UFBFGSQYSA-N -1 1 269.728 1.851 20 0 CDADMM C[C@@H]1CSCCC[N@H+]1Cc1oncc1C(=O)[O-] ZINC001604826100 1163344086 /nfs/dbraw/zinc/34/40/86/1163344086.db2.gz YVUYNJXVFUJNGN-MRVPVSSYSA-N -1 1 256.327 1.700 20 0 CDADMM CO[C@H](Cn1cccc(-c2nn[n-]n2)c1=O)C1CCCC1 ZINC001605011937 1163416136 /nfs/dbraw/zinc/41/61/36/1163416136.db2.gz GSADUEVOQNFJFK-GFCCVEGCSA-N -1 1 289.339 1.234 20 0 CDADMM COC[C@H]1CCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001605072896 1163442047 /nfs/dbraw/zinc/44/20/47/1163442047.db2.gz RPKPQQQQEOXGRE-RXMQYKEDSA-N -1 1 286.748 1.202 20 0 CDADMM COC[C@H]1CCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001605072896 1163442051 /nfs/dbraw/zinc/44/20/51/1163442051.db2.gz RPKPQQQQEOXGRE-RXMQYKEDSA-N -1 1 286.748 1.202 20 0 CDADMM CC[C@@H]1CO[C@H](C)CN1C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC001605180241 1163478608 /nfs/dbraw/zinc/47/86/08/1163478608.db2.gz XDFXALNPRYIJDY-YUSALJHKSA-N -1 1 269.341 1.633 20 0 CDADMM CCC[C@@H](O)CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001605218101 1163490993 /nfs/dbraw/zinc/49/09/93/1163490993.db2.gz SKZMIZXIRXNBAC-MRVPVSSYSA-N -1 1 291.307 1.751 20 0 CDADMM CCCCNC(=S)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001605283840 1163514689 /nfs/dbraw/zinc/51/46/89/1163514689.db2.gz WTVRJVRZWTWYDO-NSHDSACASA-N -1 1 287.429 1.142 20 0 CDADMM Cc1cc(N[C@H]2CCC(C)(C)C2)cc(-c2nnn[n-]2)n1 ZINC001605723416 1163652280 /nfs/dbraw/zinc/65/22/80/1163652280.db2.gz RXVCTVSMJGINAM-JTQLQIEISA-N -1 1 272.356 1.983 20 0 CDADMM Cc1cc(N[C@H]2CCC(C)(C)C2)cc(-c2nn[n-]n2)n1 ZINC001605723416 1163652285 /nfs/dbraw/zinc/65/22/85/1163652285.db2.gz RXVCTVSMJGINAM-JTQLQIEISA-N -1 1 272.356 1.983 20 0 CDADMM Cc1ccc(N[C@@H]2COC[C@@H]2C)nc1-c1nnn[n-]1 ZINC001605871539 1163700374 /nfs/dbraw/zinc/70/03/74/1163700374.db2.gz FZDZRXUILYWORV-DTWKUNHWSA-N -1 1 260.301 1.017 20 0 CDADMM Cc1ccc(N[C@@H]2COC[C@@H]2C)nc1-c1nn[n-]n1 ZINC001605871539 1163700382 /nfs/dbraw/zinc/70/03/82/1163700382.db2.gz FZDZRXUILYWORV-DTWKUNHWSA-N -1 1 260.301 1.017 20 0 CDADMM CCc1oc(CN2CC[C@@H](C)[C@H](O)C2)cc1C(=O)[O-] ZINC001605890686 1163708580 /nfs/dbraw/zinc/70/85/80/1163708580.db2.gz UDVYXPBUCBMNSW-BXKDBHETSA-N -1 1 267.325 1.743 20 0 CDADMM Cc1cccc(CNc2n[nH]cc2-c2nnn[n-]2)c1C ZINC001605914156 1163712806 /nfs/dbraw/zinc/71/28/06/1163712806.db2.gz AQDATQVOJGHYLK-UHFFFAOYSA-N -1 1 269.312 1.819 20 0 CDADMM Cc1cccc(CNc2n[nH]cc2-c2nn[n-]n2)c1C ZINC001605914156 1163712814 /nfs/dbraw/zinc/71/28/14/1163712814.db2.gz AQDATQVOJGHYLK-UHFFFAOYSA-N -1 1 269.312 1.819 20 0 CDADMM Cc1nc(COC(=O)c2ccc(-c3nn[n-]n3)o2)oc1C ZINC001606043646 1163755669 /nfs/dbraw/zinc/75/56/69/1163755669.db2.gz DLLFEBGNIDJBNK-UHFFFAOYSA-N -1 1 289.251 1.422 20 0 CDADMM Cc1ncc(CSCc2ccc(-c3nnn[n-]3)o2)cn1 ZINC001606089301 1163769720 /nfs/dbraw/zinc/76/97/20/1163769720.db2.gz MTSRNROXEBWFEW-UHFFFAOYSA-N -1 1 288.336 1.992 20 0 CDADMM Clc1cncc(NCc2cccc(-c3nnn[n-]3)n2)c1 ZINC001606199196 1163805425 /nfs/dbraw/zinc/80/54/25/1163805425.db2.gz YBPLVAAXLYDACA-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM Clc1cncc(NCc2cccc(-c3nn[n-]n3)n2)c1 ZINC001606199196 1163805431 /nfs/dbraw/zinc/80/54/31/1163805431.db2.gz YBPLVAAXLYDACA-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM CNC(=O)C1CN(Cc2ccnc3c(C(=O)[O-])cccc23)C1 ZINC001606266406 1163831097 /nfs/dbraw/zinc/83/10/97/1163831097.db2.gz SWNRJQFNOUARKG-UHFFFAOYSA-N -1 1 299.330 1.111 20 0 CDADMM FC1(F)CC[C@H](CCNc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001606300034 1163845594 /nfs/dbraw/zinc/84/55/94/1163845594.db2.gz FYKPTAFPVRHCTD-MRVPVSSYSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(F)CC[C@H](CCNc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001606300034 1163845600 /nfs/dbraw/zinc/84/56/00/1163845600.db2.gz FYKPTAFPVRHCTD-MRVPVSSYSA-N -1 1 295.297 1.894 20 0 CDADMM F[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@@H]1F ZINC001606303852 1163849843 /nfs/dbraw/zinc/84/98/43/1163849843.db2.gz BZYVVUCNXHCZCV-ZXZARUISSA-N -1 1 292.702 1.473 20 0 CDADMM F[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@@H]1F ZINC001606303852 1163849847 /nfs/dbraw/zinc/84/98/47/1163849847.db2.gz BZYVVUCNXHCZCV-ZXZARUISSA-N -1 1 292.702 1.473 20 0 CDADMM O=C(NC[C@@H]1CC=CCC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606723253 1163971390 /nfs/dbraw/zinc/97/13/90/1163971390.db2.gz OWKGUTYIPDMDRX-SNVBAGLBSA-N -1 1 299.338 1.740 20 0 CDADMM O=C(NC[C@@H]1CC=CCC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606723253 1163971393 /nfs/dbraw/zinc/97/13/93/1163971393.db2.gz OWKGUTYIPDMDRX-SNVBAGLBSA-N -1 1 299.338 1.740 20 0 CDADMM COCCN(C/C=C(/C)C(=O)[O-])Cc1c(C)nn(C)c1C ZINC001606884400 1164022994 /nfs/dbraw/zinc/02/29/94/1164022994.db2.gz AEUFEAFWPQMDLC-WDZFZDKYSA-N -1 1 295.383 1.516 20 0 CDADMM COCC[N@@H+](CCC(=O)[O-])Cc1cc(C(=O)[O-])c(C)o1 ZINC001606886854 1164024456 /nfs/dbraw/zinc/02/44/56/1164024456.db2.gz IMZBWLRWYVWJFX-UHFFFAOYSA-N -1 1 285.296 1.209 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1C[C@@H]1C1CCCC1 ZINC001606892579 1164025058 /nfs/dbraw/zinc/02/50/58/1164025058.db2.gz PLYGQSDVLROHSG-RKDXNWHRSA-N -1 1 287.327 1.355 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1C[C@@H]1C1CCCC1 ZINC001606892579 1164025065 /nfs/dbraw/zinc/02/50/65/1164025065.db2.gz PLYGQSDVLROHSG-RKDXNWHRSA-N -1 1 287.327 1.355 20 0 CDADMM COC[C@H]1C[C@@H](O)CN1Cc1cc(C(=O)[O-])c(C(C)C)[nH]1 ZINC001606939046 1164034838 /nfs/dbraw/zinc/03/48/38/1164034838.db2.gz NAAYIWNZTFOJHJ-VXGBXAGGSA-N -1 1 296.367 1.418 20 0 CDADMM O=C([O-])C1(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCC1 ZINC001606958708 1164038488 /nfs/dbraw/zinc/03/84/88/1164038488.db2.gz FDFFVIWYJUHWRH-UHFFFAOYSA-N -1 1 293.352 1.273 20 0 CDADMM O=C(OC[C@@H]1C[C@H]1C1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001606973306 1164045248 /nfs/dbraw/zinc/04/52/48/1164045248.db2.gz BLDIRVBDCGNWTG-UWVGGRQHSA-N -1 1 285.307 1.465 20 0 CDADMM O=C(OC[C@@H]1C[C@H]1C1CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001606973306 1164045251 /nfs/dbraw/zinc/04/52/51/1164045251.db2.gz BLDIRVBDCGNWTG-UWVGGRQHSA-N -1 1 285.307 1.465 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@H]1C(F)(F)F ZINC001607031053 1164064473 /nfs/dbraw/zinc/06/44/73/1164064473.db2.gz QZOWWRUNDMFKTL-ZETCQYMHSA-N -1 1 287.201 1.237 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@H]1C(F)(F)F ZINC001607031053 1164064478 /nfs/dbraw/zinc/06/44/78/1164064478.db2.gz QZOWWRUNDMFKTL-ZETCQYMHSA-N -1 1 287.201 1.237 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@H]2CCC[C@@H]21 ZINC001607033071 1164065943 /nfs/dbraw/zinc/06/59/43/1164065943.db2.gz PIFJJBFCDJITHB-KOLCDFICSA-N -1 1 287.323 1.864 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@H]2CCC[C@@H]21 ZINC001607033071 1164065946 /nfs/dbraw/zinc/06/59/46/1164065946.db2.gz PIFJJBFCDJITHB-KOLCDFICSA-N -1 1 287.323 1.864 20 0 CDADMM Oc1ccccc1Sc1cc(-c2nnn[n-]2)ncn1 ZINC001607111838 1164089925 /nfs/dbraw/zinc/08/99/25/1164089925.db2.gz LEQPISXOSGHWFU-UHFFFAOYSA-N -1 1 272.293 1.514 20 0 CDADMM Oc1ccccc1Sc1cc(-c2nn[n-]n2)ncn1 ZINC001607111838 1164089931 /nfs/dbraw/zinc/08/99/31/1164089931.db2.gz LEQPISXOSGHWFU-UHFFFAOYSA-N -1 1 272.293 1.514 20 0 CDADMM c1cc(N2CCC3(CCCC3)C2)nc(-c2nn[n-]n2)n1 ZINC001607119713 1164101679 /nfs/dbraw/zinc/10/16/79/1164101679.db2.gz IGRPUGQOJKYUIE-UHFFFAOYSA-N -1 1 271.328 1.427 20 0 CDADMM c1cc(NC[C@@H]2CCCSC2)cc(-c2nnn[n-]2)n1 ZINC001607121237 1164103386 /nfs/dbraw/zinc/10/33/86/1164103386.db2.gz MFPDJYNAOWZHPN-VIFPVBQESA-N -1 1 276.369 1.239 20 0 CDADMM c1cc(NC[C@@H]2CCCSC2)cc(-c2nn[n-]n2)n1 ZINC001607121237 1164103388 /nfs/dbraw/zinc/10/33/88/1164103388.db2.gz MFPDJYNAOWZHPN-VIFPVBQESA-N -1 1 276.369 1.239 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CN1Cc2ccncc2C1 ZINC001607122940 1164105404 /nfs/dbraw/zinc/10/54/04/1164105404.db2.gz DFAVSJQVIHKFNS-UHFFFAOYSA-N -1 1 268.280 1.371 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1CN1Cc2ccncc2C1 ZINC001607122940 1164105410 /nfs/dbraw/zinc/10/54/10/1164105410.db2.gz DFAVSJQVIHKFNS-UHFFFAOYSA-N -1 1 268.280 1.371 20 0 CDADMM c1cc(NCC[C@@H]2CCCS2)nc(-c2nnn[n-]2)c1 ZINC001607122152 1164105606 /nfs/dbraw/zinc/10/56/06/1164105606.db2.gz ZVMAJXQLBLFWOE-VIFPVBQESA-N -1 1 276.369 1.959 20 0 CDADMM c1cc(NCC[C@@H]2CCCS2)nc(-c2nn[n-]n2)c1 ZINC001607122152 1164105611 /nfs/dbraw/zinc/10/56/11/1164105611.db2.gz ZVMAJXQLBLFWOE-VIFPVBQESA-N -1 1 276.369 1.959 20 0 CDADMM c1ccc(CCCNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001607128295 1164108694 /nfs/dbraw/zinc/10/86/94/1164108694.db2.gz JSYGDULJXJKNMH-UHFFFAOYSA-N -1 1 281.323 1.123 20 0 CDADMM c1sc(CSc2cccnn2)nc1-c1nnn[n-]1 ZINC001607135930 1164114838 /nfs/dbraw/zinc/11/48/38/1164114838.db2.gz UXIZSIHCXRKLMZ-UHFFFAOYSA-N -1 1 277.338 1.406 20 0 CDADMM c1sc(CSc2cccnn2)nc1-c1nn[n-]n1 ZINC001607135930 1164114840 /nfs/dbraw/zinc/11/48/40/1164114840.db2.gz UXIZSIHCXRKLMZ-UHFFFAOYSA-N -1 1 277.338 1.406 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CNC1(c2ncccn2)CCC1 ZINC001607134334 1164115558 /nfs/dbraw/zinc/11/55/58/1164115558.db2.gz YNXUTWLLCMJZSW-UHFFFAOYSA-N -1 1 297.322 1.419 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1CNC1(c2ncccn2)CCC1 ZINC001607134334 1164115560 /nfs/dbraw/zinc/11/55/60/1164115560.db2.gz YNXUTWLLCMJZSW-UHFFFAOYSA-N -1 1 297.322 1.419 20 0 CDADMM c1nc(NC[C@H]2CC3CCC2CC3)cc(-c2nnn[n-]2)n1 ZINC001607136919 1164116729 /nfs/dbraw/zinc/11/67/29/1164116729.db2.gz DYICOLSQUVGHCY-VQXHTEKXSA-N -1 1 285.355 1.895 20 0 CDADMM c1nc(NC[C@H]2CC3CCC2CC3)cc(-c2nn[n-]n2)n1 ZINC001607136919 1164116732 /nfs/dbraw/zinc/11/67/32/1164116732.db2.gz DYICOLSQUVGHCY-VQXHTEKXSA-N -1 1 285.355 1.895 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(N2CCC(C3CC3)CC2)n1 ZINC001607138752 1164120267 /nfs/dbraw/zinc/12/02/67/1164120267.db2.gz JWBZIMXGSKQZEX-UHFFFAOYSA-N -1 1 271.328 1.283 20 0 CDADMM COc1ccc(C(=O)[O-])c2c1CN(Cc1nnc[nH]1)CC2 ZINC001607215389 1164131284 /nfs/dbraw/zinc/13/12/84/1164131284.db2.gz RETOZRWGPXNWAU-UHFFFAOYSA-N -1 1 288.307 1.070 20 0 CDADMM C[C@@H]1CN(C(=O)c2cc(F)cc(F)c2O)C[C@H]1CC(=O)[O-] ZINC001607435067 1164179284 /nfs/dbraw/zinc/17/92/84/1164179284.db2.gz OXXUWVQIHFXUFF-HTQZYQBOSA-N -1 1 299.273 1.853 20 0 CDADMM Cc1n[nH]c(C(=O)N[C@H](C(=O)[O-])c2ccsc2)c1C ZINC001607500740 1164211030 /nfs/dbraw/zinc/21/10/30/1164211030.db2.gz WWKNZZZSTIYDHT-JTQLQIEISA-N -1 1 279.321 1.644 20 0 CDADMM Cc1cc(CN2CCC[C@H](O)[C@H]2C(=O)[O-])cs1 ZINC001607639805 1164252055 /nfs/dbraw/zinc/25/20/55/1164252055.db2.gz RETYEMNVOFRDER-QWRGUYRKSA-N -1 1 255.339 1.466 20 0 CDADMM Cn1c(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c[nH]c1=O ZINC001190999456 1164376789 /nfs/dbraw/zinc/37/67/89/1164376789.db2.gz ZGXPYTQBLYIDPP-UHFFFAOYSA-N -1 1 299.290 1.269 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)CCc3cn[nH]c3)[nH]c21 ZINC001608319124 1164489837 /nfs/dbraw/zinc/48/98/37/1164489837.db2.gz SAUNVUAROZOTKU-UHFFFAOYSA-N -1 1 299.290 1.556 20 0 CDADMM O=C([O-])c1ccc(NC(=O)Cc2n[nH]c(C3CC3)n2)cc1 ZINC001608372255 1164501208 /nfs/dbraw/zinc/50/12/08/1164501208.db2.gz LJTAZSMLLAUYRA-UHFFFAOYSA-N -1 1 286.291 1.562 20 0 CDADMM O=C([O-])[C@@H](N[C@@H]1CCCN(C2CCCCC2)C1=O)C1CC1 ZINC001608545675 1164540312 /nfs/dbraw/zinc/54/03/12/1164540312.db2.gz DXVHQLSPAIVCAW-KGLIPLIRSA-N -1 1 294.395 1.763 20 0 CDADMM O=C([O-])[C@@H]1CC(=O)N(CN2CC[C@H]3CCCC[C@H]3C2)C1 ZINC001608596987 1164566227 /nfs/dbraw/zinc/56/62/27/1164566227.db2.gz GIOHPCWMLLIDLS-FRRDWIJNSA-N -1 1 280.368 1.389 20 0 CDADMM O=C([O-])CNC(=O)[C@H]1CCCN1c1ccnc2ccccc21 ZINC001608751502 1164628523 /nfs/dbraw/zinc/62/85/23/1164628523.db2.gz RIKWYNKACFZXNL-CQSZACIVSA-N -1 1 299.330 1.404 20 0 CDADMM O=C([O-])c1cccc(CN2CCC(C3(O)CC3)CC2)n1 ZINC001608930637 1164687202 /nfs/dbraw/zinc/68/72/02/1164687202.db2.gz PJOJLSKLMLPGNO-UHFFFAOYSA-N -1 1 276.336 1.517 20 0 CDADMM CC(C)[C@@H]1CCCN(c2ncncc2-c2nn[n-]n2)CC1 ZINC001609091703 1164767426 /nfs/dbraw/zinc/76/74/26/1164767426.db2.gz SSYLUOMOFRLZTE-LLVKDONJSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCS1 ZINC001609091796 1164768097 /nfs/dbraw/zinc/76/80/97/1164768097.db2.gz RQTGORMWSXRBOD-SNVBAGLBSA-N -1 1 291.384 1.235 20 0 CDADMM CC(C)[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCS1 ZINC001609091796 1164768105 /nfs/dbraw/zinc/76/81/05/1164768105.db2.gz RQTGORMWSXRBOD-SNVBAGLBSA-N -1 1 291.384 1.235 20 0 CDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(F)F ZINC001609132313 1164786943 /nfs/dbraw/zinc/78/69/43/1164786943.db2.gz QVGYPLULASWUEH-SCSAIBSYSA-N -1 1 274.252 1.739 20 0 CDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(F)F ZINC001609132313 1164786952 /nfs/dbraw/zinc/78/69/52/1164786952.db2.gz QVGYPLULASWUEH-SCSAIBSYSA-N -1 1 274.252 1.739 20 0 CDADMM C[C@@H]1CN(c2cccnc2-c2nnn[n-]2)CC2(CCC2)O1 ZINC001609176061 1164815369 /nfs/dbraw/zinc/81/53/69/1164815369.db2.gz IDPCPHZQTKTOCV-SNVBAGLBSA-N -1 1 286.339 1.410 20 0 CDADMM C[C@@H]1CN(c2cccnc2-c2nn[n-]n2)CC2(CCC2)O1 ZINC001609176061 1164815378 /nfs/dbraw/zinc/81/53/78/1164815378.db2.gz IDPCPHZQTKTOCV-SNVBAGLBSA-N -1 1 286.339 1.410 20 0 CDADMM CC[C@]1(C)COCCN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001609197026 1164837268 /nfs/dbraw/zinc/83/72/68/1164837268.db2.gz MJXCMGDPJBIUGK-GFCCVEGCSA-N -1 1 294.384 1.324 20 0 CDADMM CC[C@]1(C)COCCN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001609197026 1164837272 /nfs/dbraw/zinc/83/72/72/1164837272.db2.gz MJXCMGDPJBIUGK-GFCCVEGCSA-N -1 1 294.384 1.324 20 0 CDADMM CN(CC1CCCC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001609273817 1164878222 /nfs/dbraw/zinc/87/82/22/1164878222.db2.gz FZQPGHAXCCUDPT-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CO[C@@H](C)CCOC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001609309248 1164891804 /nfs/dbraw/zinc/89/18/04/1164891804.db2.gz XSYIHNOUSBGBTM-ZETCQYMHSA-N -1 1 280.284 1.350 20 0 CDADMM CO[C@@H](C)CCOC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609309248 1164891813 /nfs/dbraw/zinc/89/18/13/1164891813.db2.gz XSYIHNOUSBGBTM-ZETCQYMHSA-N -1 1 280.284 1.350 20 0 CDADMM COc1cccc(CN(C)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001609361533 1164911351 /nfs/dbraw/zinc/91/13/51/1164911351.db2.gz HAYGLELQYLTFGX-UHFFFAOYSA-N -1 1 296.334 1.907 20 0 CDADMM COc1cccc(CN(C)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001609361533 1164911355 /nfs/dbraw/zinc/91/13/55/1164911355.db2.gz HAYGLELQYLTFGX-UHFFFAOYSA-N -1 1 296.334 1.907 20 0 CDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)C(=O)OC(C)(C)C ZINC001609375958 1164915553 /nfs/dbraw/zinc/91/55/53/1164915553.db2.gz CEYSXPJLEXFNRB-QMMMGPOBSA-N -1 1 290.327 1.404 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCC(C)(C)C2)n1 ZINC001609391439 1164922791 /nfs/dbraw/zinc/92/27/91/1164922791.db2.gz JKWJQLZLIPAKIC-JTQLQIEISA-N -1 1 287.371 1.980 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCC(C)(C)C2)n1 ZINC001609391439 1164922796 /nfs/dbraw/zinc/92/27/96/1164922796.db2.gz JKWJQLZLIPAKIC-JTQLQIEISA-N -1 1 287.371 1.980 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCC=CO2)n1 ZINC001609392435 1164927259 /nfs/dbraw/zinc/92/72/59/1164927259.db2.gz PWTDJCDUHVKRPL-SECBINFHSA-N -1 1 273.300 1.070 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCC=CO2)n1 ZINC001609392435 1164927265 /nfs/dbraw/zinc/92/72/65/1164927265.db2.gz PWTDJCDUHVKRPL-SECBINFHSA-N -1 1 273.300 1.070 20 0 CDADMM Cc1ccc(N(C)C[C@H]2CCCCO2)nc1-c1nnn[n-]1 ZINC001609424718 1164940284 /nfs/dbraw/zinc/94/02/84/1164940284.db2.gz DZSRKDIHJJSSNO-LLVKDONJSA-N -1 1 288.355 1.575 20 0 CDADMM Cc1ccc(N(C)C[C@H]2CCCCO2)nc1-c1nn[n-]n1 ZINC001609424718 1164940288 /nfs/dbraw/zinc/94/02/88/1164940288.db2.gz DZSRKDIHJJSSNO-LLVKDONJSA-N -1 1 288.355 1.575 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@H](C)C[C@H]1C ZINC001609466645 1164961266 /nfs/dbraw/zinc/96/12/66/1164961266.db2.gz FAILQQULAKMGPS-HTQZYQBOSA-N -1 1 275.312 1.639 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@H](C)C[C@H]1C ZINC001609466645 1164961275 /nfs/dbraw/zinc/96/12/75/1164961275.db2.gz FAILQQULAKMGPS-HTQZYQBOSA-N -1 1 275.312 1.639 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC12CCC(CC1)C2 ZINC001609467448 1164963789 /nfs/dbraw/zinc/96/37/89/1164963789.db2.gz GTOROXDIYPRQSB-UHFFFAOYSA-N -1 1 287.323 1.831 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC12CCC(CC1)C2 ZINC001609467448 1164963797 /nfs/dbraw/zinc/96/37/97/1164963797.db2.gz GTOROXDIYPRQSB-UHFFFAOYSA-N -1 1 287.323 1.831 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@H](C)[C@@H](F)C1 ZINC001609466889 1164964403 /nfs/dbraw/zinc/96/44/03/1164964403.db2.gz NHRKWHICXGMTPV-XVKPBYJWSA-N -1 1 293.302 1.588 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@H](C)[C@@H](F)C1 ZINC001609466889 1164964406 /nfs/dbraw/zinc/96/44/06/1164964406.db2.gz NHRKWHICXGMTPV-XVKPBYJWSA-N -1 1 293.302 1.588 20 0 CDADMM C/C(=C/COC(=O)c1[nH]nc2c1CCCCC2)C(=O)[O-] ZINC001609542908 1164985800 /nfs/dbraw/zinc/98/58/00/1164985800.db2.gz FXWOPPSUKFPXLV-CLFYSBASSA-N -1 1 278.308 1.866 20 0 CDADMM O=C(Nc1nccs1)c1cccc(F)c1-c1nnn[n-]1 ZINC001609570755 1164991849 /nfs/dbraw/zinc/99/18/49/1164991849.db2.gz WHYGOECRMIBJHW-UHFFFAOYSA-N -1 1 290.283 1.715 20 0 CDADMM O=C(Nc1nccs1)c1cccc(F)c1-c1nn[n-]n1 ZINC001609570755 1164991855 /nfs/dbraw/zinc/99/18/55/1164991855.db2.gz WHYGOECRMIBJHW-UHFFFAOYSA-N -1 1 290.283 1.715 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1ccc(F)cc1F ZINC001609605087 1165000184 /nfs/dbraw/zinc/00/01/84/1165000184.db2.gz HNOGUNGDXGDEKD-UHFFFAOYSA-N -1 1 289.245 1.355 20 0 CDADMM c1cc(N[C@@H]2CC[C@H]3C[C@H]3C2)nc(-c2nnn[n-]2)c1 ZINC001609614781 1165008398 /nfs/dbraw/zinc/00/83/98/1165008398.db2.gz MKONJWSJWHGWNE-LPEHRKFASA-N -1 1 256.313 1.862 20 0 CDADMM c1cc(N[C@@H]2CC[C@H]3C[C@H]3C2)nc(-c2nn[n-]n2)c1 ZINC001609614781 1165008404 /nfs/dbraw/zinc/00/84/04/1165008404.db2.gz MKONJWSJWHGWNE-LPEHRKFASA-N -1 1 256.313 1.862 20 0 CDADMM c1nn2ccccc2c1CNc1cccnc1-c1nnn[n-]1 ZINC001609619212 1165015997 /nfs/dbraw/zinc/01/59/97/1165015997.db2.gz JZPNGYFTEBBWCQ-UHFFFAOYSA-N -1 1 292.306 1.522 20 0 CDADMM c1nn2ccccc2c1CNc1cccnc1-c1nn[n-]n1 ZINC001609619212 1165016006 /nfs/dbraw/zinc/01/60/06/1165016006.db2.gz JZPNGYFTEBBWCQ-UHFFFAOYSA-N -1 1 292.306 1.522 20 0 CDADMM Cn1cc(CN[C@@H](CO)c2ccccc2)cc1C(=O)[O-] ZINC001610604948 1165375001 /nfs/dbraw/zinc/37/50/01/1165375001.db2.gz SWPQVKSGLCAUNV-ZDUSSCGKSA-N -1 1 274.320 1.547 20 0 CDADMM O=C([O-])CC1(CN2CCN(Cc3cscn3)CC2)CC1 ZINC001610753658 1165429042 /nfs/dbraw/zinc/42/90/42/1165429042.db2.gz KKEKWNCWHKMDCE-UHFFFAOYSA-N -1 1 295.408 1.516 20 0 CDADMM O=C([O-])c1nscc1NS(=O)(=O)CCC1CC1 ZINC001610872885 1165470105 /nfs/dbraw/zinc/47/01/05/1165470105.db2.gz LFSSZLLRRCQRML-UHFFFAOYSA-N -1 1 276.339 1.383 20 0 CDADMM O=C([O-])c1occc1CN[C@H]1c2ccccc2C[C@@H]1O ZINC001610874131 1165471141 /nfs/dbraw/zinc/47/11/41/1165471141.db2.gz KVKJXSHVVKJDEL-STQMWFEESA-N -1 1 273.288 1.726 20 0 CDADMM C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1c[n-][nH]c1=O ZINC001611379400 1165490960 /nfs/dbraw/zinc/49/09/60/1165490960.db2.gz GWGVUZPEPJUPRE-SECBINFHSA-N -1 1 297.318 1.876 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC001611374101 1165491242 /nfs/dbraw/zinc/49/12/42/1165491242.db2.gz MFFQQCPVJWZVLF-UHFFFAOYSA-N -1 1 287.254 1.897 20 0 CDADMM COc1ccc(SCCC(=O)OCc2nn[n-]n2)cc1 ZINC001649230019 1166183517 /nfs/dbraw/zinc/18/35/17/1166183517.db2.gz VWBWLBFZZBGGFS-UHFFFAOYSA-N -1 1 294.336 1.434 20 0 CDADMM COc1ccc(C)nc1NC(=O)c1ccc([O-])cn1 ZINC001630543618 1166213678 /nfs/dbraw/zinc/21/36/78/1166213678.db2.gz GCMPGXUDYXGTDE-UHFFFAOYSA-N -1 1 259.265 1.752 20 0 CDADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1cc(F)c[nH]1 ZINC001630782163 1166232338 /nfs/dbraw/zinc/23/23/38/1166232338.db2.gz BBSLBNHDHIXDDX-LLVKDONJSA-N -1 1 286.270 1.186 20 0 CDADMM C[C@@](O)(CNC(=O)c1ccc([O-])cn1)c1ccco1 ZINC001634451419 1166500656 /nfs/dbraw/zinc/50/06/56/1166500656.db2.gz NWFDBAIUAVGELJ-CYBMUJFWSA-N -1 1 262.265 1.018 20 0 CDADMM c1ccc2c(c1)CN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC000095169614 1166605074 /nfs/dbraw/zinc/60/50/74/1166605074.db2.gz QKPRYQBJHNPOJO-UHFFFAOYSA-N -1 1 265.280 1.177 20 0 CDADMM c1ccc2c(c1)CN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC000095169614 1166605078 /nfs/dbraw/zinc/60/50/78/1166605078.db2.gz QKPRYQBJHNPOJO-UHFFFAOYSA-N -1 1 265.280 1.177 20 0 CDADMM C[C@H]1C[C@@H]1C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000095265571 1166615770 /nfs/dbraw/zinc/61/57/70/1166615770.db2.gz LZURQJBSVKMYFG-KWQFWETISA-N -1 1 273.296 1.373 20 0 CDADMM C1=CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC000095337486 1166622744 /nfs/dbraw/zinc/62/27/44/1166622744.db2.gz LSQWHLMFVYISFC-SECBINFHSA-N -1 1 257.301 1.425 20 0 CDADMM C1=CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC000095337486 1166622748 /nfs/dbraw/zinc/62/27/48/1166622748.db2.gz LSQWHLMFVYISFC-SECBINFHSA-N -1 1 257.301 1.425 20 0 CDADMM O=C(N[C@H]1COCc2ccccc21)c1ncccc1[O-] ZINC001412263146 1166732238 /nfs/dbraw/zinc/73/22/38/1166732238.db2.gz ZDTINXHCDCXUBR-LBPRGKRZSA-N -1 1 270.288 1.789 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)[C@H]1CC12CCSCC2 ZINC001638735424 1166868315 /nfs/dbraw/zinc/86/83/15/1166868315.db2.gz HRUPLGCHVBXVCU-SSDOTTSWSA-N -1 1 253.327 1.587 20 0 CDADMM Cc1nnc(CNC(=O)c2c([O-])cccc2Cl)[nH]1 ZINC001640089144 1166993786 /nfs/dbraw/zinc/99/37/86/1166993786.db2.gz BIURCJOZNNLJPP-UHFFFAOYSA-N -1 1 266.688 1.402 20 0 CDADMM O=C(N[C@@H]1CCc2n[nH]cc2C1)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155269851 1167110730 /nfs/dbraw/zinc/11/07/30/1167110730.db2.gz RMIUCPBDWWBQIU-SECBINFHSA-N -1 1 297.318 1.279 20 0 CDADMM O=C(NCCc1cnccn1)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155269407 1167111352 /nfs/dbraw/zinc/11/13/52/1167111352.db2.gz DRFIIWUMSRBUEN-UHFFFAOYSA-N -1 1 283.291 1.031 20 0 CDADMM COc1cccn2c(C(=O)Nc3ncccc3[O-])nnc12 ZINC001156004117 1167283890 /nfs/dbraw/zinc/28/38/90/1167283890.db2.gz WPOMAWKIBAQDHE-UHFFFAOYSA-N -1 1 285.263 1.091 20 0 CDADMM Cc1cnc(SCn2nnc3ccccc32)[n-]c1=O ZINC001643947627 1167284029 /nfs/dbraw/zinc/28/40/29/1167284029.db2.gz NTGFFACMQGJONK-UHFFFAOYSA-N -1 1 273.321 1.985 20 0 CDADMM O=C(COC(=O)[C@H]1C[C@@]12CCOC2)c1ccc([O-])cc1O ZINC001645682672 1167464209 /nfs/dbraw/zinc/46/42/09/1167464209.db2.gz JZJDOBBVXIAENW-IAQYHMDHSA-N -1 1 292.287 1.250 20 0 CDADMM Cc1ccc(-c2nn(C)cc2CNC[C@H](F)C(=O)[O-])o1 ZINC001646232744 1167712458 /nfs/dbraw/zinc/71/24/58/1167712458.db2.gz MRLSGBCNQGHFGS-JTQLQIEISA-N -1 1 281.287 1.501 20 0 CDADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCO[C@H](C(C)(C)C)C2)O1 ZINC001609830000 1167965024 /nfs/dbraw/zinc/96/50/24/1167965024.db2.gz VPXOMGYILLDLOW-AAEUAGOBSA-N -1 1 283.368 1.881 20 0 CDADMM CO[C@@H](C)CCNC(=O)c1c(C)[n-]c(=O)nc1SC ZINC001647219325 1168459181 /nfs/dbraw/zinc/45/91/81/1168459181.db2.gz LNPUILIBQXGNDE-ZETCQYMHSA-N -1 1 285.369 1.367 20 0 CDADMM C[C@@H](CN(C)C(=O)c1onc2ccccc21)c1nn[n-]n1 ZINC001567309722 1168673419 /nfs/dbraw/zinc/67/34/19/1168673419.db2.gz JMIITUKQBCVZKI-QMMMGPOBSA-N -1 1 286.295 1.217 20 0 CDADMM COCCC1(C)CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001650020742 1169618291 /nfs/dbraw/zinc/61/82/91/1169618291.db2.gz OTBSASMRJMWUPK-UHFFFAOYSA-N -1 1 291.351 1.558 20 0 CDADMM Cc1cc(C(=O)N2C3CCC(CC3)[C@H]2C(=O)[O-])n[nH]1 ZINC001574128402 1170890816 /nfs/dbraw/zinc/89/08/16/1170890816.db2.gz UFAVNFRJDRCJJG-AMUVOQDHSA-N -1 1 263.297 1.186 20 0 CDADMM Cc1cc(C[NH2+][C@@H](C)c2nc(C(=O)[O-])n[n-]2)cc(C)n1 ZINC001574133461 1170891311 /nfs/dbraw/zinc/89/13/11/1170891311.db2.gz DFJDQMXONPSJLQ-VIFPVBQESA-N -1 1 275.312 1.366 20 0 CDADMM O=C([O-])c1ncc(CN[C@@H]2CCCCC23OCCO3)s1 ZINC001574423225 1170978215 /nfs/dbraw/zinc/97/82/15/1170978215.db2.gz MHLHHFPSMAUCGW-SNVBAGLBSA-N -1 1 298.364 1.617 20 0 CDADMM C[C@@H](CSC(F)(F)F)C(=O)Nc1c[n-][nH]c1=O ZINC001651044518 1171280795 /nfs/dbraw/zinc/28/07/95/1171280795.db2.gz NIIAZEAPHIYNGB-BYPYZUCNSA-N -1 1 269.248 1.943 20 0 CDADMM CC(C)CS(=O)(=O)[N-]c1cccc2c1OCCO2 ZINC000066582676 1171393819 /nfs/dbraw/zinc/39/38/19/1171393819.db2.gz ZDGXIYCBKNELBC-UHFFFAOYSA-N -1 1 271.338 1.856 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1ccc2c(c1)nc[nH]c2=O ZINC001654603480 1171625332 /nfs/dbraw/zinc/62/53/32/1171625332.db2.gz PAQSMIPGKSTCIF-UHFFFAOYSA-N -1 1 271.236 1.016 20 0 CDADMM COc1ccc(Nc2cncc(-c3nnn[n-]3)n2)cc1OC ZINC001580046196 1172332210 /nfs/dbraw/zinc/33/22/10/1172332210.db2.gz GIJHKCJKWPLRFJ-UHFFFAOYSA-N -1 1 299.294 1.418 20 0 CDADMM COc1ccc(Nc2cncc(-c3nn[n-]n3)n2)cc1OC ZINC001580046196 1172332218 /nfs/dbraw/zinc/33/22/18/1172332218.db2.gz GIJHKCJKWPLRFJ-UHFFFAOYSA-N -1 1 299.294 1.418 20 0 CDADMM F[C@@]1(c2ccccc2)C[C@@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001581851504 1172622425 /nfs/dbraw/zinc/62/24/25/1172622425.db2.gz ZTOXRHAPYCNAEM-DZGCQCFKSA-N -1 1 296.309 1.733 20 0 CDADMM F[C@@]1(c2ccccc2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001581851504 1172622432 /nfs/dbraw/zinc/62/24/32/1172622432.db2.gz ZTOXRHAPYCNAEM-DZGCQCFKSA-N -1 1 296.309 1.733 20 0 CDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)C1(C2CC2)CC1 ZINC001582554550 1172682388 /nfs/dbraw/zinc/68/23/88/1172682388.db2.gz JKFGVGFGBISVCB-UHFFFAOYSA-N -1 1 284.323 1.068 20 0 CDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)C1(C2CC2)CC1 ZINC001582554550 1172682393 /nfs/dbraw/zinc/68/23/93/1172682393.db2.gz JKFGVGFGBISVCB-UHFFFAOYSA-N -1 1 284.323 1.068 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cccc2c1CCC2 ZINC001582649570 1172686202 /nfs/dbraw/zinc/68/62/02/1172686202.db2.gz AFSCJYQCTWDIMV-UHFFFAOYSA-N -1 1 295.306 1.331 20 0 CDADMM C=C=CCNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001588466808 1173066313 /nfs/dbraw/zinc/06/63/13/1173066313.db2.gz PTSBNSOTAJWEFA-UHFFFAOYSA-N -1 1 277.234 1.216 20 0 CDADMM CC(=O)[C@@H](C)CCOC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001588787843 1173107293 /nfs/dbraw/zinc/10/72/93/1173107293.db2.gz ZTYOKJKQRHPHEP-ZETCQYMHSA-N -1 1 294.336 1.700 20 0 CDADMM CC(=O)[C@@H](C)CCOC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001588787843 1173107297 /nfs/dbraw/zinc/10/72/97/1173107297.db2.gz ZTYOKJKQRHPHEP-ZETCQYMHSA-N -1 1 294.336 1.700 20 0 CDADMM CC(C)(C)CC[C@H](CO)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589118326 1173123978 /nfs/dbraw/zinc/12/39/78/1173123978.db2.gz BXSJFZKDEQKFOF-SNVBAGLBSA-N -1 1 290.371 1.861 20 0 CDADMM CC(C)(C)CC[C@H](CO)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589118326 1173123982 /nfs/dbraw/zinc/12/39/82/1173123982.db2.gz BXSJFZKDEQKFOF-SNVBAGLBSA-N -1 1 290.371 1.861 20 0 CDADMM CC(C)(C)CC(C)(C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001589119318 1173127331 /nfs/dbraw/zinc/12/73/31/1173127331.db2.gz VNDFKIBBQVQBKD-UHFFFAOYSA-N -1 1 291.359 1.748 20 0 CDADMM CC(C)(CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)C1CC1 ZINC001589269800 1173131764 /nfs/dbraw/zinc/13/17/64/1173131764.db2.gz FSXLTGNUFGCXEY-UHFFFAOYSA-N -1 1 275.316 1.355 20 0 CDADMM CC(C)(CC(=O)Nc1n[nH]cc1-c1nn[n-]n1)C1CC1 ZINC001589269800 1173131767 /nfs/dbraw/zinc/13/17/67/1173131767.db2.gz FSXLTGNUFGCXEY-UHFFFAOYSA-N -1 1 275.316 1.355 20 0 CDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2C[C@@H]2F)n1 ZINC001589249145 1173132104 /nfs/dbraw/zinc/13/21/04/1173132104.db2.gz KVOBAKSOKPIWBV-XPUUQOCRSA-N -1 1 293.306 1.115 20 0 CDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2C[C@@H]2F)n1 ZINC001589249145 1173132117 /nfs/dbraw/zinc/13/21/17/1173132117.db2.gz KVOBAKSOKPIWBV-XPUUQOCRSA-N -1 1 293.306 1.115 20 0 CDADMM CC(C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001589292818 1173133932 /nfs/dbraw/zinc/13/39/32/1173133932.db2.gz LDRVDVSHGBVMAC-UHFFFAOYSA-N -1 1 259.317 1.505 20 0 CDADMM CC(C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001589292818 1173133938 /nfs/dbraw/zinc/13/39/38/1173133938.db2.gz LDRVDVSHGBVMAC-UHFFFAOYSA-N -1 1 259.317 1.505 20 0 CDADMM CC(C)(CNc1cncc(-c2nnn[n-]2)n1)C1CCC1 ZINC001589292845 1173134180 /nfs/dbraw/zinc/13/41/80/1173134180.db2.gz WNKOEDXISKJFOH-UHFFFAOYSA-N -1 1 273.344 1.895 20 0 CDADMM CC(C)(CNc1cncc(-c2nn[n-]n2)n1)C1CCC1 ZINC001589292845 1173134186 /nfs/dbraw/zinc/13/41/86/1173134186.db2.gz WNKOEDXISKJFOH-UHFFFAOYSA-N -1 1 273.344 1.895 20 0 CDADMM CC(C)[C@@]1(C)C[C@@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001589491683 1173150138 /nfs/dbraw/zinc/15/01/38/1173150138.db2.gz WLFKEHSBGWHHCP-JOYOIKCWSA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)[C@@]1(C)C[C@@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001589491683 1173150141 /nfs/dbraw/zinc/15/01/41/1173150141.db2.gz WLFKEHSBGWHHCP-JOYOIKCWSA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)C1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001589504303 1173152049 /nfs/dbraw/zinc/15/20/49/1173152049.db2.gz WQSYYDJENNZOIY-UHFFFAOYSA-N -1 1 287.371 1.705 20 0 CDADMM CC(C)CN(Cn1cccc(-c2nnn[n-]2)c1=O)C1CC1 ZINC001589628990 1173161851 /nfs/dbraw/zinc/16/18/51/1173161851.db2.gz WINKHLQXKGSJEO-UHFFFAOYSA-N -1 1 288.355 1.106 20 0 CDADMM CC(C)n1ncnc1COc1cccnc1-c1nnn[n-]1 ZINC001589785505 1173179725 /nfs/dbraw/zinc/17/97/25/1173179725.db2.gz HQRYEHFGMLBRIW-UHFFFAOYSA-N -1 1 286.299 1.013 20 0 CDADMM CC(C)n1ncnc1COc1cccnc1-c1nn[n-]n1 ZINC001589785505 1173179727 /nfs/dbraw/zinc/17/97/27/1173179727.db2.gz HQRYEHFGMLBRIW-UHFFFAOYSA-N -1 1 286.299 1.013 20 0 CDADMM C[C@@H](Cc1ccco1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589902346 1173197297 /nfs/dbraw/zinc/19/72/97/1173197297.db2.gz CYWLBVCLJCALQY-VIFPVBQESA-N -1 1 298.306 1.672 20 0 CDADMM C[C@@H](Cc1ccco1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589902346 1173197302 /nfs/dbraw/zinc/19/73/02/1173197302.db2.gz CYWLBVCLJCALQY-VIFPVBQESA-N -1 1 298.306 1.672 20 0 CDADMM CC(F)(F)C(C)(C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001589906588 1173200320 /nfs/dbraw/zinc/20/03/20/1173200320.db2.gz PZMOOWDJYJJBMM-UHFFFAOYSA-N -1 1 283.286 1.750 20 0 CDADMM CC(F)(F)C(C)(C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001589906588 1173200325 /nfs/dbraw/zinc/20/03/25/1173200325.db2.gz PZMOOWDJYJJBMM-UHFFFAOYSA-N -1 1 283.286 1.750 20 0 CDADMM C[C@@H](O)C(C)(C)CNc1cccnc1-c1nnn[n-]1 ZINC001589993305 1173225957 /nfs/dbraw/zinc/22/59/57/1173225957.db2.gz SADTYFLJITWNCD-MRVPVSSYSA-N -1 1 262.317 1.081 20 0 CDADMM C[C@@H](O)C(C)(C)CNc1cccnc1-c1nn[n-]n1 ZINC001589993305 1173225959 /nfs/dbraw/zinc/22/59/59/1173225959.db2.gz SADTYFLJITWNCD-MRVPVSSYSA-N -1 1 262.317 1.081 20 0 CDADMM C[C@@H](c1ccco1)N(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590050900 1173239385 /nfs/dbraw/zinc/23/93/85/1173239385.db2.gz PANFSXJQGKGJKF-QMMMGPOBSA-N -1 1 287.279 1.886 20 0 CDADMM C[C@@H](c1ccco1)N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590050900 1173239390 /nfs/dbraw/zinc/23/93/90/1173239390.db2.gz PANFSXJQGKGJKF-QMMMGPOBSA-N -1 1 287.279 1.886 20 0 CDADMM C[C@]1(C(=O)Nc2ncc(-c3nnn[n-]3)s2)C=CCC1 ZINC001590070516 1173242584 /nfs/dbraw/zinc/24/25/84/1173242584.db2.gz AXYZAGOPAGDIHI-NSHDSACASA-N -1 1 276.325 1.618 20 0 CDADMM C[C@]1(C(=O)Nc2ncc(-c3nn[n-]n3)s2)C=CCC1 ZINC001590070516 1173242592 /nfs/dbraw/zinc/24/25/92/1173242592.db2.gz AXYZAGOPAGDIHI-NSHDSACASA-N -1 1 276.325 1.618 20 0 CDADMM CC1(C)CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001590089923 1173254538 /nfs/dbraw/zinc/25/45/38/1173254538.db2.gz BGCVNRUCWDOOCC-QMMMGPOBSA-N -1 1 259.317 1.647 20 0 CDADMM CC1(C)CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001590089923 1173254546 /nfs/dbraw/zinc/25/45/46/1173254546.db2.gz BGCVNRUCWDOOCC-QMMMGPOBSA-N -1 1 259.317 1.647 20 0 CDADMM CC1(C)CO[C@H](CCNc2cccc(-c3nnn[n-]3)n2)C1 ZINC001590110813 1173260444 /nfs/dbraw/zinc/26/04/44/1173260444.db2.gz IUESBHSDHSYJPP-SNVBAGLBSA-N -1 1 288.355 1.879 20 0 CDADMM CC1(C)CO[C@H](CCNc2cccc(-c3nn[n-]n3)n2)C1 ZINC001590110813 1173260449 /nfs/dbraw/zinc/26/04/49/1173260449.db2.gz IUESBHSDHSYJPP-SNVBAGLBSA-N -1 1 288.355 1.879 20 0 CDADMM C[C@]1(CNc2cccc(-c3nnn[n-]3)n2)CC1(F)F ZINC001590136397 1173268665 /nfs/dbraw/zinc/26/86/65/1173268665.db2.gz UYEAQDFYOSAJCR-SNVBAGLBSA-N -1 1 266.255 1.719 20 0 CDADMM C[C@]1(CNc2cccc(-c3nn[n-]n3)n2)CC1(F)F ZINC001590136397 1173268667 /nfs/dbraw/zinc/26/86/67/1173268667.db2.gz UYEAQDFYOSAJCR-SNVBAGLBSA-N -1 1 266.255 1.719 20 0 CDADMM CC1(F)CCN(C(=O)c2csc(-c3nn[n-]n3)c2)CC1 ZINC001590141449 1173270115 /nfs/dbraw/zinc/27/01/15/1173270115.db2.gz JCUASWRRPKKYNZ-UHFFFAOYSA-N -1 1 295.343 1.892 20 0 CDADMM C[C@]1(c2ccccc2)C[C@@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001590151545 1173271401 /nfs/dbraw/zinc/27/14/01/1173271401.db2.gz GDUYZMLIXAJEMX-SWLSCSKDSA-N -1 1 293.334 1.799 20 0 CDADMM C[C@]1(c2ccccc2)C[C@@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001590151545 1173271408 /nfs/dbraw/zinc/27/14/08/1173271408.db2.gz GDUYZMLIXAJEMX-SWLSCSKDSA-N -1 1 293.334 1.799 20 0 CDADMM CC1=CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC001590160598 1173278210 /nfs/dbraw/zinc/27/82/10/1173278210.db2.gz OYSZSKRNRPFQSI-UHFFFAOYSA-N -1 1 293.334 1.966 20 0 CDADMM CC1=CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001590160598 1173278214 /nfs/dbraw/zinc/27/82/14/1173278214.db2.gz OYSZSKRNRPFQSI-UHFFFAOYSA-N -1 1 293.334 1.966 20 0 CDADMM C[C@@H]1C[C@H](C)N(C(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001590189661 1173285136 /nfs/dbraw/zinc/28/51/36/1173285136.db2.gz ITZXOUQFHDMRMU-SFYZADRCSA-N -1 1 277.353 1.799 20 0 CDADMM C[C@@H]1CC[C@H](CNC(=O)c2ccsc2-c2nnn[n-]2)O1 ZINC001590230677 1173307413 /nfs/dbraw/zinc/30/74/13/1173307413.db2.gz MZLNBSBMUUUPIX-HTQZYQBOSA-N -1 1 293.352 1.226 20 0 CDADMM C[C@@H]1CC[C@H](CNC(=O)c2ccsc2-c2nn[n-]n2)O1 ZINC001590230677 1173307420 /nfs/dbraw/zinc/30/74/20/1173307420.db2.gz MZLNBSBMUUUPIX-HTQZYQBOSA-N -1 1 293.352 1.226 20 0 CDADMM C[C@@H]1CCC[C@@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590244983 1173317588 /nfs/dbraw/zinc/31/75/88/1173317588.db2.gz XKFLFNAVLDSGIZ-NXEZZACHSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1CCC[C@@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590244983 1173317594 /nfs/dbraw/zinc/31/75/94/1173317594.db2.gz XKFLFNAVLDSGIZ-NXEZZACHSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1OCC[C@@H]1COc1ccc(F)nc1-c1nnn[n-]1 ZINC001590334980 1173359936 /nfs/dbraw/zinc/35/99/36/1173359936.db2.gz AVUXCDYXGLMQPN-JGVFFNPUSA-N -1 1 279.275 1.205 20 0 CDADMM C[C@@H]1OCC[C@@H]1COc1ccc(F)nc1-c1nn[n-]n1 ZINC001590334980 1173359945 /nfs/dbraw/zinc/35/99/45/1173359945.db2.gz AVUXCDYXGLMQPN-JGVFFNPUSA-N -1 1 279.275 1.205 20 0 CDADMM CCC(=CC(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1)CC ZINC001590355833 1173373780 /nfs/dbraw/zinc/37/37/80/1173373780.db2.gz HIPYOWGBAXBRIQ-UHFFFAOYSA-N -1 1 275.316 1.583 20 0 CDADMM CCC(C)(C)N(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590377248 1173379713 /nfs/dbraw/zinc/37/97/13/1173379713.db2.gz JPCQWYFBXXKYMQ-UHFFFAOYSA-N -1 1 263.301 1.720 20 0 CDADMM CCC(C)(C)N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590377248 1173379721 /nfs/dbraw/zinc/37/97/21/1173379721.db2.gz JPCQWYFBXXKYMQ-UHFFFAOYSA-N -1 1 263.301 1.720 20 0 CDADMM CC[C@@H](CSC)Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001590450065 1173413844 /nfs/dbraw/zinc/41/38/44/1173413844.db2.gz PQOPWRAVAJIQLG-VIFPVBQESA-N -1 1 278.385 1.546 20 0 CDADMM CC[C@@H](CSC)Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001590450065 1173413848 /nfs/dbraw/zinc/41/38/48/1173413848.db2.gz PQOPWRAVAJIQLG-VIFPVBQESA-N -1 1 278.385 1.546 20 0 CDADMM CCC1(O)CCC(Nc2ncncc2-c2nn[n-]n2)CC1 ZINC001590499312 1173436307 /nfs/dbraw/zinc/43/63/07/1173436307.db2.gz DMJYFBOYOCYBIO-UHFFFAOYSA-N -1 1 289.343 1.152 20 0 CDADMM CC[C@H]1CN(c2ccnc(-c3nnn[n-]3)c2)[C@H](C)CO1 ZINC001590520834 1173449018 /nfs/dbraw/zinc/44/90/18/1173449018.db2.gz JOSJTKIODXHGAI-KOLCDFICSA-N -1 1 274.328 1.265 20 0 CDADMM CC[C@H]1CN(c2ccnc(-c3nn[n-]n3)c2)[C@H](C)CO1 ZINC001590520834 1173449023 /nfs/dbraw/zinc/44/90/23/1173449023.db2.gz JOSJTKIODXHGAI-KOLCDFICSA-N -1 1 274.328 1.265 20 0 CDADMM CCC[C@@H](COC(=O)c1cc(-c2nnn[n-]2)oc1C)OC ZINC001590558236 1173463154 /nfs/dbraw/zinc/46/31/54/1173463154.db2.gz LQIZSMRMDXMWIN-VIFPVBQESA-N -1 1 294.311 1.740 20 0 CDADMM CCC[C@@H](COC(=O)c1cc(-c2nn[n-]n2)oc1C)OC ZINC001590558236 1173463161 /nfs/dbraw/zinc/46/31/61/1173463161.db2.gz LQIZSMRMDXMWIN-VIFPVBQESA-N -1 1 294.311 1.740 20 0 CDADMM CCCCCNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590599290 1173472953 /nfs/dbraw/zinc/47/29/53/1173472953.db2.gz VDFLCFYCMNYLGJ-UHFFFAOYSA-N -1 1 260.301 1.182 20 0 CDADMM CCCCCNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590599290 1173472958 /nfs/dbraw/zinc/47/29/58/1173472958.db2.gz VDFLCFYCMNYLGJ-UHFFFAOYSA-N -1 1 260.301 1.182 20 0 CDADMM CCc1cc2c(ncnc2-n2cnc(-c3nn[n-]n3)n2)s1 ZINC001590883686 1173537312 /nfs/dbraw/zinc/53/73/12/1173537312.db2.gz YIKCBEVQVNWHAL-UHFFFAOYSA-N -1 1 299.323 1.015 20 0 CDADMM CCc1ccsc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590903241 1173538568 /nfs/dbraw/zinc/53/85/68/1173538568.db2.gz HTUJZWMIWQASJW-UHFFFAOYSA-N -1 1 289.324 1.466 20 0 CDADMM CCc1ccsc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590903241 1173538571 /nfs/dbraw/zinc/53/85/71/1173538571.db2.gz HTUJZWMIWQASJW-UHFFFAOYSA-N -1 1 289.324 1.466 20 0 CDADMM CCc1nc(NCC(C)(F)F)cc(-c2nn[n-]n2)n1 ZINC001590916188 1173540657 /nfs/dbraw/zinc/54/06/57/1173540657.db2.gz KIVXASZTBZNQIL-UHFFFAOYSA-N -1 1 269.259 1.286 20 0 CDADMM CCc1nc(NCC(C)(F)F)cc(-c2nnn[n-]2)n1 ZINC001590916188 1173540649 /nfs/dbraw/zinc/54/06/49/1173540649.db2.gz KIVXASZTBZNQIL-UHFFFAOYSA-N -1 1 269.259 1.286 20 0 CDADMM CCc1nc(N[C@H](C)CSC)cc(-c2nn[n-]n2)n1 ZINC001590916428 1173542280 /nfs/dbraw/zinc/54/22/80/1173542280.db2.gz HXFCBUQAXJVJOT-SSDOTTSWSA-N -1 1 279.373 1.383 20 0 CDADMM CCc1nc(N[C@H](C)CSC)cc(-c2nnn[n-]2)n1 ZINC001590916428 1173542275 /nfs/dbraw/zinc/54/22/75/1173542275.db2.gz HXFCBUQAXJVJOT-SSDOTTSWSA-N -1 1 279.373 1.383 20 0 CDADMM CCc1nc(NCCC2(C)CC2)cc(-c2nnn[n-]2)n1 ZINC001590920300 1173545024 /nfs/dbraw/zinc/54/50/24/1173545024.db2.gz RKZJDZYMZUFBQR-UHFFFAOYSA-N -1 1 273.344 1.821 20 0 CDADMM CCc1nc(NCCC2(C)CC2)cc(-c2nn[n-]n2)n1 ZINC001590920300 1173545030 /nfs/dbraw/zinc/54/50/30/1173545030.db2.gz RKZJDZYMZUFBQR-UHFFFAOYSA-N -1 1 273.344 1.821 20 0 CDADMM CCn1cc(CSc2cccnc2-c2nnn[n-]2)nn1 ZINC001590953685 1173549306 /nfs/dbraw/zinc/54/93/06/1173549306.db2.gz LJWYCKUOFRCGQF-UHFFFAOYSA-N -1 1 288.340 1.165 20 0 CDADMM CCn1cc(CSc2cccnc2-c2nn[n-]n2)nn1 ZINC001590953685 1173549312 /nfs/dbraw/zinc/54/93/12/1173549312.db2.gz LJWYCKUOFRCGQF-UHFFFAOYSA-N -1 1 288.340 1.165 20 0 CDADMM CCn1cnnc1SCc1ccc(-c2nn[n-]n2)s1 ZINC001590963517 1173552003 /nfs/dbraw/zinc/55/20/03/1173552003.db2.gz XVVKOTSUGPGUHB-UHFFFAOYSA-N -1 1 293.381 1.832 20 0 CDADMM CN(Cc1nc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC001591152358 1173582972 /nfs/dbraw/zinc/58/29/72/1173582972.db2.gz YNUAOPWXSHOOCL-UHFFFAOYSA-N -1 1 272.337 1.960 20 0 CDADMM CN(Cc1nc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC001591152358 1173582974 /nfs/dbraw/zinc/58/29/74/1173582974.db2.gz YNUAOPWXSHOOCL-UHFFFAOYSA-N -1 1 272.337 1.960 20 0 CDADMM COC1CCC(Nc2cc(C)nc(-c3nnn[n-]3)c2)CC1 ZINC001591349780 1173623748 /nfs/dbraw/zinc/62/37/48/1173623748.db2.gz BYWSQIXRUUDCMW-UHFFFAOYSA-N -1 1 288.355 1.362 20 0 CDADMM COC1CCC(Nc2cc(C)nc(-c3nn[n-]n3)c2)CC1 ZINC001591349780 1173623750 /nfs/dbraw/zinc/62/37/50/1173623750.db2.gz BYWSQIXRUUDCMW-UHFFFAOYSA-N -1 1 288.355 1.362 20 0 CDADMM CO[C@@H]1CC[C@H]1N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591355809 1173629089 /nfs/dbraw/zinc/62/90/89/1173629089.db2.gz WMFKMYVXZKRHHF-HTQZYQBOSA-N -1 1 293.352 1.178 20 0 CDADMM CO[C@@H]1CC[C@H]1N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591355809 1173629091 /nfs/dbraw/zinc/62/90/91/1173629091.db2.gz WMFKMYVXZKRHHF-HTQZYQBOSA-N -1 1 293.352 1.178 20 0 CDADMM COCC1(CNc2nc(-c3nn[n-]n3)ccc2C)CCC1 ZINC001591388665 1173640870 /nfs/dbraw/zinc/64/08/70/1173640870.db2.gz HKYUYWIWDAWETP-UHFFFAOYSA-N -1 1 288.355 1.799 20 0 CDADMM COCCC(C)(C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001591398576 1173644232 /nfs/dbraw/zinc/64/42/32/1173644232.db2.gz XWMSDWRIOFYQEF-UHFFFAOYSA-N -1 1 277.332 1.192 20 0 CDADMM COCCC(C)(C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001591398576 1173644235 /nfs/dbraw/zinc/64/42/35/1173644235.db2.gz XWMSDWRIOFYQEF-UHFFFAOYSA-N -1 1 277.332 1.192 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](CF)C2)c1 ZINC001591889524 1173737899 /nfs/dbraw/zinc/73/78/99/1173737899.db2.gz RLNHNLAGMZCEET-SNVBAGLBSA-N -1 1 276.319 1.756 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](CF)C2)c1 ZINC001591889524 1173737905 /nfs/dbraw/zinc/73/79/05/1173737905.db2.gz RLNHNLAGMZCEET-SNVBAGLBSA-N -1 1 276.319 1.756 20 0 CDADMM Cc1cc(C)c(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)o1 ZINC001591946903 1173752731 /nfs/dbraw/zinc/75/27/31/1173752731.db2.gz FRYBSPXISFEWDH-UHFFFAOYSA-N -1 1 287.283 1.360 20 0 CDADMM Cc1[nH]nc(NCc2cnc(F)c(C)c2)c1-c1nnn[n-]1 ZINC001591969738 1173758479 /nfs/dbraw/zinc/75/84/79/1173758479.db2.gz JQFBFLFMRWLFMP-UHFFFAOYSA-N -1 1 288.290 1.353 20 0 CDADMM Cc1[nH]nc(NCc2cnc(F)c(C)c2)c1-c1nn[n-]n1 ZINC001591969738 1173758482 /nfs/dbraw/zinc/75/84/82/1173758482.db2.gz JQFBFLFMRWLFMP-UHFFFAOYSA-N -1 1 288.290 1.353 20 0 CDADMM Cc1cc(N[C@H]2CC3CCC2CC3)cc(-c2nnn[n-]2)n1 ZINC001592036627 1173778982 /nfs/dbraw/zinc/77/89/82/1173778982.db2.gz QNSQOYRJPGSRKX-XIVSLSHWSA-N -1 1 284.367 1.983 20 0 CDADMM Cc1cc(N[C@H]2CC3CCC2CC3)cc(-c2nn[n-]n2)n1 ZINC001592036627 1173778989 /nfs/dbraw/zinc/77/89/89/1173778989.db2.gz QNSQOYRJPGSRKX-XIVSLSHWSA-N -1 1 284.367 1.983 20 0 CDADMM Cc1cc(NCc2ccc(-c3nn[nH]n3)cn2)nc(C)[nH+]1 ZINC001592052132 1173787417 /nfs/dbraw/zinc/78/74/17/1173787417.db2.gz FQFUYSVOPHTFQG-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1cc([C@H](C)OC(=O)c2coc(-c3nnn[n-]3)c2)no1 ZINC001592068805 1173793297 /nfs/dbraw/zinc/79/32/97/1173793297.db2.gz QTGNKMHOYSLMNQ-ZETCQYMHSA-N -1 1 289.251 1.674 20 0 CDADMM Cc1cc([C@H](C)OC(=O)c2coc(-c3nn[n-]n3)c2)no1 ZINC001592068805 1173793299 /nfs/dbraw/zinc/79/32/99/1173793299.db2.gz QTGNKMHOYSLMNQ-ZETCQYMHSA-N -1 1 289.251 1.674 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@@H](C)[C@@H](CO)C1 ZINC001592111027 1173801746 /nfs/dbraw/zinc/80/17/46/1173801746.db2.gz YOQLAKUJFKAGGE-MWLCHTKSSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(CCNc2ccnc(-c3nnn[n-]3)c2)o1 ZINC001592151065 1173812863 /nfs/dbraw/zinc/81/28/63/1173812863.db2.gz FTYBLZXRLZSKTE-UHFFFAOYSA-N -1 1 270.296 1.818 20 0 CDADMM Cc1ccc(CCNc2ccnc(-c3nn[n-]n3)c2)o1 ZINC001592151065 1173812866 /nfs/dbraw/zinc/81/28/66/1173812866.db2.gz FTYBLZXRLZSKTE-UHFFFAOYSA-N -1 1 270.296 1.818 20 0 CDADMM Cc1ccc(N2CCOC[C@H](C)C2)nc1-c1nnn[n-]1 ZINC001592176895 1173823621 /nfs/dbraw/zinc/82/36/21/1173823621.db2.gz YYHAPLVFKUFPLV-SECBINFHSA-N -1 1 274.328 1.043 20 0 CDADMM Cc1ccc(N2CCOC[C@H](C)C2)nc1-c1nn[n-]n1 ZINC001592176895 1173823626 /nfs/dbraw/zinc/82/36/26/1173823626.db2.gz YYHAPLVFKUFPLV-SECBINFHSA-N -1 1 274.328 1.043 20 0 CDADMM Cc1ccc(N2CCC([C@@H](C)O)CC2)nc1-c1nnn[n-]1 ZINC001592177913 1173826996 /nfs/dbraw/zinc/82/69/96/1173826996.db2.gz OGMVZFUGKXYTSG-SNVBAGLBSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(N2CCC([C@@H](C)O)CC2)nc1-c1nn[n-]n1 ZINC001592177913 1173827005 /nfs/dbraw/zinc/82/70/05/1173827005.db2.gz OGMVZFUGKXYTSG-SNVBAGLBSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(NCc2ncccc2F)nc1-c1nnn[n-]1 ZINC001592185131 1173830274 /nfs/dbraw/zinc/83/02/74/1173830274.db2.gz JSTAOWJDTPVPQQ-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1ccc(NCc2ncccc2F)nc1-c1nn[n-]n1 ZINC001592185131 1173830280 /nfs/dbraw/zinc/83/02/80/1173830280.db2.gz JSTAOWJDTPVPQQ-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1cccc([C@@H](O)CNc2ncncc2-c2nn[n-]n2)c1 ZINC001592223866 1173832471 /nfs/dbraw/zinc/83/24/71/1173832471.db2.gz GULUTOFEIBYZOJ-LBPRGKRZSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1ccncc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001592279111 1173843068 /nfs/dbraw/zinc/84/30/68/1173843068.db2.gz HXMHLARRVJOMHP-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1ccncc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001592279111 1173843069 /nfs/dbraw/zinc/84/30/69/1173843069.db2.gz HXMHLARRVJOMHP-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1cncc(NC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001592300090 1173848853 /nfs/dbraw/zinc/84/88/53/1173848853.db2.gz HKTSHKLAKUPNOR-UHFFFAOYSA-N -1 1 270.252 1.415 20 0 CDADMM Cc1cncc(NC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001592300090 1173848855 /nfs/dbraw/zinc/84/88/55/1173848855.db2.gz HKTSHKLAKUPNOR-UHFFFAOYSA-N -1 1 270.252 1.415 20 0 CDADMM Cc1[nH]nc(NC(=O)C[C@H]2C=CCC2)c1-c1nn[n-]n1 ZINC001592327571 1173853555 /nfs/dbraw/zinc/85/35/55/1173853555.db2.gz FOYZABHQTSZZEA-QMMMGPOBSA-N -1 1 273.300 1.193 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@@H](C)c2ccccc2)c1-c1nn[n-]n1 ZINC001592330062 1173856199 /nfs/dbraw/zinc/85/61/99/1173856199.db2.gz JSPZFBGIXDXKOL-QMMMGPOBSA-N -1 1 297.322 1.640 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](c3ccco3)C2)n1 ZINC001592337652 1173859441 /nfs/dbraw/zinc/85/94/41/1173859441.db2.gz MYFDXUBYNAXFGX-SNVBAGLBSA-N -1 1 297.322 1.552 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](c3ccco3)C2)n1 ZINC001592337652 1173859445 /nfs/dbraw/zinc/85/94/45/1173859445.db2.gz MYFDXUBYNAXFGX-SNVBAGLBSA-N -1 1 297.322 1.552 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(Cc2cccc(F)c2)c1C ZINC001592339440 1173863083 /nfs/dbraw/zinc/86/30/83/1173863083.db2.gz MJVQZBUMQWJCFP-UHFFFAOYSA-N -1 1 272.287 1.867 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2cccc(F)c2)c1C ZINC001592339440 1173863092 /nfs/dbraw/zinc/86/30/92/1173863092.db2.gz MJVQZBUMQWJCFP-UHFFFAOYSA-N -1 1 272.287 1.867 20 0 CDADMM Cc1nc(N[C@@H](C)CC2CCC2)cc(-c2nnn[n-]2)n1 ZINC001592378037 1173874276 /nfs/dbraw/zinc/87/42/76/1173874276.db2.gz AFXIGCBEGSXUMW-QMMMGPOBSA-N -1 1 273.344 1.956 20 0 CDADMM Cc1nc(N[C@@H](C)CC2CCC2)cc(-c2nn[n-]n2)n1 ZINC001592378037 1173874280 /nfs/dbraw/zinc/87/42/80/1173874280.db2.gz AFXIGCBEGSXUMW-QMMMGPOBSA-N -1 1 273.344 1.956 20 0 CDADMM Cc1nc(NCCc2ccc(O)cc2)cc(-c2nnn[n-]2)n1 ZINC001592391037 1173878476 /nfs/dbraw/zinc/87/84/76/1173878476.db2.gz CVJZDMYABUDIKH-UHFFFAOYSA-N -1 1 297.322 1.325 20 0 CDADMM Cc1nc(NCCc2ccc(O)cc2)cc(-c2nn[n-]n2)n1 ZINC001592391037 1173878479 /nfs/dbraw/zinc/87/84/79/1173878479.db2.gz CVJZDMYABUDIKH-UHFFFAOYSA-N -1 1 297.322 1.325 20 0 CDADMM Cc1nccc(NC(=O)c2ccsc2-c2nnn[n-]2)n1 ZINC001592416244 1173885572 /nfs/dbraw/zinc/88/55/72/1173885572.db2.gz GWGMFLKXAYKYOI-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1nccc(NC(=O)c2ccsc2-c2nn[n-]n2)n1 ZINC001592416244 1173885574 /nfs/dbraw/zinc/88/55/74/1173885574.db2.gz GWGMFLKXAYKYOI-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCCC[C@@H]1F ZINC001592499754 1173904624 /nfs/dbraw/zinc/90/46/24/1173904624.db2.gz CEWGSWBHCZPMLY-VHSXEESVSA-N -1 1 293.302 1.779 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCCC[C@@H]1F ZINC001592499754 1173904628 /nfs/dbraw/zinc/90/46/28/1173904628.db2.gz CEWGSWBHCZPMLY-VHSXEESVSA-N -1 1 293.302 1.779 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCCn2nccc21 ZINC001592499298 1173905586 /nfs/dbraw/zinc/90/55/86/1173905586.db2.gz KKBZEVWTCFNROT-UHFFFAOYSA-N -1 1 299.294 1.015 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCCn2nccc21 ZINC001592499298 1173905593 /nfs/dbraw/zinc/90/55/93/1173905593.db2.gz KKBZEVWTCFNROT-UHFFFAOYSA-N -1 1 299.294 1.015 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@H]2C[C@H]21 ZINC001592499959 1173909024 /nfs/dbraw/zinc/90/90/24/1173909024.db2.gz SNWNMRPNXCNZIN-WCBMZHEXSA-N -1 1 273.296 1.393 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@H]2C[C@H]21 ZINC001592499959 1173909028 /nfs/dbraw/zinc/90/90/28/1173909028.db2.gz SNWNMRPNXCNZIN-WCBMZHEXSA-N -1 1 273.296 1.393 20 0 CDADMM Clc1nc(N2CCCO2)sc1-c1nnn[n-]1 ZINC001592540092 1173916507 /nfs/dbraw/zinc/91/65/07/1173916507.db2.gz GBBVMHLNYSXODP-UHFFFAOYSA-N -1 1 258.694 1.118 20 0 CDADMM Clc1nc(N2CCCO2)sc1-c1nn[n-]n1 ZINC001592540092 1173916511 /nfs/dbraw/zinc/91/65/11/1173916511.db2.gz GBBVMHLNYSXODP-UHFFFAOYSA-N -1 1 258.694 1.118 20 0 CDADMM FC1(C2CC2)CCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001592627781 1173935312 /nfs/dbraw/zinc/93/53/12/1173935312.db2.gz NAVVUHLULRJNIC-UHFFFAOYSA-N -1 1 289.318 1.375 20 0 CDADMM FC1(C2CC2)CCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001592627781 1173935318 /nfs/dbraw/zinc/93/53/18/1173935318.db2.gz NAVVUHLULRJNIC-UHFFFAOYSA-N -1 1 289.318 1.375 20 0 CDADMM FC1(F)CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001592628152 1173935484 /nfs/dbraw/zinc/93/54/84/1173935484.db2.gz MSVVWJWXTOAKCW-QMMMGPOBSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(F)CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001592628152 1173935494 /nfs/dbraw/zinc/93/54/94/1173935494.db2.gz MSVVWJWXTOAKCW-QMMMGPOBSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(F)CCC[C@@H]1NCc1nc(-c2nnn[n-]2)cs1 ZINC001592627734 1173935883 /nfs/dbraw/zinc/93/58/83/1173935883.db2.gz DBZMANKRRORQCB-ZETCQYMHSA-N -1 1 286.311 1.601 20 0 CDADMM FC1(F)CCC[C@@H]1NCc1nc(-c2nn[n-]n2)cs1 ZINC001592627734 1173935888 /nfs/dbraw/zinc/93/58/88/1173935888.db2.gz DBZMANKRRORQCB-ZETCQYMHSA-N -1 1 286.311 1.601 20 0 CDADMM O=C(CSc1cccc(F)c1-c1nn[n-]n1)N1CCC1 ZINC001592905366 1173999767 /nfs/dbraw/zinc/99/97/67/1173999767.db2.gz LEZSJOFOSCHCKN-UHFFFAOYSA-N -1 1 293.327 1.330 20 0 CDADMM O=C(NCC1(C2CC2)CCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593015544 1174011739 /nfs/dbraw/zinc/01/17/39/1174011739.db2.gz DZZSAWAHGCMQCF-UHFFFAOYSA-N -1 1 298.350 1.572 20 0 CDADMM O=C(NCC1(C2CC2)CCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593015544 1174011743 /nfs/dbraw/zinc/01/17/43/1174011743.db2.gz DZZSAWAHGCMQCF-UHFFFAOYSA-N -1 1 298.350 1.572 20 0 CDADMM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(-c2nnn[n-]2)nc1 ZINC001592983752 1174013744 /nfs/dbraw/zinc/01/37/44/1174013744.db2.gz YABAZIKOWVPGCN-MIMYLULJSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(-c2nn[n-]n2)nc1 ZINC001592983752 1174013751 /nfs/dbraw/zinc/01/37/51/1174013751.db2.gz YABAZIKOWVPGCN-MIMYLULJSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(NCCC1CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593062192 1174018457 /nfs/dbraw/zinc/01/84/57/1174018457.db2.gz XYRYRMKKBUGBNL-UHFFFAOYSA-N -1 1 275.287 1.536 20 0 CDADMM O=C(NCCC1CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593062192 1174018466 /nfs/dbraw/zinc/01/84/66/1174018466.db2.gz XYRYRMKKBUGBNL-UHFFFAOYSA-N -1 1 275.287 1.536 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC001593255780 1174038965 /nfs/dbraw/zinc/03/89/65/1174038965.db2.gz KMXQWTYGJGZXCU-INTQDDNPSA-N -1 1 299.338 1.572 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC001593255780 1174038971 /nfs/dbraw/zinc/03/89/71/1174038971.db2.gz KMXQWTYGJGZXCU-INTQDDNPSA-N -1 1 299.338 1.572 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)NC12CCC(CC1)C2 ZINC001593255038 1174039015 /nfs/dbraw/zinc/03/90/15/1174039015.db2.gz BUDQTLXSITXWDE-UHFFFAOYSA-N -1 1 299.338 1.716 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)NC12CCC(CC1)C2 ZINC001593255038 1174039022 /nfs/dbraw/zinc/03/90/22/1174039022.db2.gz BUDQTLXSITXWDE-UHFFFAOYSA-N -1 1 299.338 1.716 20 0 CDADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CC(C(F)F)C1 ZINC001593351101 1174067957 /nfs/dbraw/zinc/06/79/57/1174067957.db2.gz YTXCJFQIZOXEFW-UHFFFAOYSA-N -1 1 297.240 1.343 20 0 CDADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CC(C(F)F)C1 ZINC001593351101 1174067962 /nfs/dbraw/zinc/06/79/62/1174067962.db2.gz YTXCJFQIZOXEFW-UHFFFAOYSA-N -1 1 297.240 1.343 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@H]1C1CCCC1 ZINC001593348602 1174069497 /nfs/dbraw/zinc/06/94/97/1174069497.db2.gz GZYQVQFJGFLTGH-ZDUSSCGKSA-N -1 1 298.350 1.666 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@H]1C1CCCC1 ZINC001593348602 1174069501 /nfs/dbraw/zinc/06/95/01/1174069501.db2.gz GZYQVQFJGFLTGH-ZDUSSCGKSA-N -1 1 298.350 1.666 20 0 CDADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCCSC1 ZINC001593370763 1174071042 /nfs/dbraw/zinc/07/10/42/1174071042.db2.gz HTIKZCIPJWXQHC-UHFFFAOYSA-N -1 1 281.366 1.465 20 0 CDADMM O=c1c2c([n-]n1Cc1cccc(-c3nn[nH]n3)c1)CCC2 ZINC001593382315 1174075052 /nfs/dbraw/zinc/07/50/52/1174075052.db2.gz MLLADYZONSXNNV-LLVKDONJSA-N -1 1 282.307 1.365 20 0 CDADMM OC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CCCCC1 ZINC001593526896 1174101515 /nfs/dbraw/zinc/10/15/15/1174101515.db2.gz TWUFRRZGYJOBHW-LLVKDONJSA-N -1 1 289.343 1.010 20 0 CDADMM OC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC001593526896 1174101519 /nfs/dbraw/zinc/10/15/19/1174101519.db2.gz TWUFRRZGYJOBHW-LLVKDONJSA-N -1 1 289.343 1.010 20 0 CDADMM OCC1(CNc2cccc(-c3nnn[n-]3)n2)CCCC1 ZINC001593524797 1174103339 /nfs/dbraw/zinc/10/33/39/1174103339.db2.gz ZGZGLEBIFIZHFT-UHFFFAOYSA-N -1 1 274.328 1.226 20 0 CDADMM OCC1(CNc2cccc(-c3nn[n-]n3)n2)CCCC1 ZINC001593524797 1174103345 /nfs/dbraw/zinc/10/33/45/1174103345.db2.gz ZGZGLEBIFIZHFT-UHFFFAOYSA-N -1 1 274.328 1.226 20 0 CDADMM Oc1cccc2c1CCN(c1cccc(-c3nnn[n-]3)n1)C2 ZINC001593539929 1174112525 /nfs/dbraw/zinc/11/25/25/1174112525.db2.gz JKGPZSJRYYPRGJ-UHFFFAOYSA-N -1 1 294.318 1.530 20 0 CDADMM Oc1cccc2c1CCN(c1cccc(-c3nn[n-]n3)n1)C2 ZINC001593539929 1174112528 /nfs/dbraw/zinc/11/25/28/1174112528.db2.gz JKGPZSJRYYPRGJ-UHFFFAOYSA-N -1 1 294.318 1.530 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2C[C@H]3CCCC[C@H]32)c1 ZINC001593552153 1174126909 /nfs/dbraw/zinc/12/69/09/1174126909.db2.gz XNROTNIDANIWMU-MWLCHTKSSA-N -1 1 256.313 1.641 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2C[C@H]3CCCC[C@H]32)c1 ZINC001593552153 1174126912 /nfs/dbraw/zinc/12/69/12/1174126912.db2.gz XNROTNIDANIWMU-MWLCHTKSSA-N -1 1 256.313 1.641 20 0 CDADMM c1cc(N2C[C@H](C3CC3)[C@@H]2C2CC2)nnc1-c1nnn[n-]1 ZINC001593557671 1174131199 /nfs/dbraw/zinc/13/11/99/1174131199.db2.gz QXYKFAMJJVMCFR-MFKMUULPSA-N -1 1 283.339 1.282 20 0 CDADMM c1cc(N2C[C@H](C3CC3)[C@@H]2C2CC2)nnc1-c1nn[n-]n1 ZINC001593557671 1174131209 /nfs/dbraw/zinc/13/12/09/1174131209.db2.gz QXYKFAMJJVMCFR-MFKMUULPSA-N -1 1 283.339 1.282 20 0 CDADMM c1n[nH]cc1C1CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001593559794 1174136162 /nfs/dbraw/zinc/13/61/62/1174136162.db2.gz RCNJWVRKAFAWMZ-UHFFFAOYSA-N -1 1 296.338 1.369 20 0 CDADMM c1n[nH]cc1C1CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001593559794 1174136164 /nfs/dbraw/zinc/13/61/64/1174136164.db2.gz RCNJWVRKAFAWMZ-UHFFFAOYSA-N -1 1 296.338 1.369 20 0 CDADMM c1cc(-c2nn[n-]n2)sc1CNc1nnc2ccccn21 ZINC001593581990 1174147211 /nfs/dbraw/zinc/14/72/11/1174147211.db2.gz AMBGUBZYUMEXTB-UHFFFAOYSA-N -1 1 298.335 1.583 20 0 CDADMM c1cnc([C@H](Nc2cccc(-c3nnn[n-]3)n2)C2CC2)nc1 ZINC001593585617 1174152232 /nfs/dbraw/zinc/15/22/32/1174152232.db2.gz XEEANNQWLVCCDT-GFCCVEGCSA-N -1 1 294.322 1.615 20 0 CDADMM c1cnc([C@H](Nc2cccc(-c3nn[n-]n3)n2)C2CC2)nc1 ZINC001593585617 1174152236 /nfs/dbraw/zinc/15/22/36/1174152236.db2.gz XEEANNQWLVCCDT-GFCCVEGCSA-N -1 1 294.322 1.615 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OCCOC2CCCC2)c1 ZINC001593584261 1174152324 /nfs/dbraw/zinc/15/23/24/1174152324.db2.gz JYILOCHBBXXSGK-UHFFFAOYSA-N -1 1 275.312 1.600 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OCCOC2CCCC2)c1 ZINC001593584261 1174152328 /nfs/dbraw/zinc/15/23/28/1174152328.db2.gz JYILOCHBBXXSGK-UHFFFAOYSA-N -1 1 275.312 1.600 20 0 CDADMM c1nc(-c2nn[n-]n2)ncc1OCc1noc2c1CCCC2 ZINC001593590512 1174157968 /nfs/dbraw/zinc/15/79/68/1174157968.db2.gz WBPRHIQWLVQSMF-UHFFFAOYSA-N -1 1 299.294 1.103 20 0 CDADMM Cc1ccc(CN(C)[C@H]2CCN(CCC(=O)[O-])C2=O)s1 ZINC001600410144 1174465628 /nfs/dbraw/zinc/46/56/28/1174465628.db2.gz SVTOUGGWQNXWLK-LBPRGKRZSA-N -1 1 296.392 1.564 20 0 CDADMM Cn1c(CN[C@H](CO)c2ccsc2)ccc1C(=O)[O-] ZINC001600917241 1174665186 /nfs/dbraw/zinc/66/51/86/1174665186.db2.gz ZGTNQBLSRAHUEI-LLVKDONJSA-N -1 1 280.349 1.608 20 0 CDADMM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1[C@@H](C(=O)[O-])c1ccccc1 ZINC001601141355 1174760797 /nfs/dbraw/zinc/76/07/97/1174760797.db2.gz LEUIODDBCUQRAA-SYQHCUMBSA-N -1 1 288.347 1.398 20 0 CDADMM O=C([O-])[C@@H](CC(F)F)NCc1cn(C2CCC2)nn1 ZINC001601639359 1174922599 /nfs/dbraw/zinc/92/25/99/1174922599.db2.gz PWHVZPYBKJUWRI-SECBINFHSA-N -1 1 274.271 1.201 20 0 CDADMM O=C([O-])[C@@H]1CCN(CN2C[C@H](C3CCCCC3)CC2=O)C1 ZINC001601825833 1175024707 /nfs/dbraw/zinc/02/47/07/1175024707.db2.gz RTUNFKLDKAXYMW-ZIAGYGMSSA-N -1 1 294.395 1.779 20 0 CDADMM O=C([O-])CC1CC(NC(=O)[C@@H]2NCCc3ccccc32)C1 ZINC001601942957 1175078165 /nfs/dbraw/zinc/07/81/65/1175078165.db2.gz URSUZASDROCTPA-MBRGGSNBSA-N -1 1 288.347 1.243 20 0 CDADMM O=C([O-])[C@@H]1OCC[C@@H]1NCc1cn2cc(Cl)ccc2n1 ZINC001602202961 1175160865 /nfs/dbraw/zinc/16/08/65/1175160865.db2.gz MGTWMXDWFCNJRG-CMPLNLGQSA-N -1 1 295.726 1.319 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](O)CN1C/C=C/c1ccc(Cl)cc1 ZINC001602219510 1175172742 /nfs/dbraw/zinc/17/27/42/1175172742.db2.gz LOKQNYWSBLHFGZ-DKZVVXNFSA-N -1 1 281.739 1.873 20 0 CDADMM O=C([O-])c1cc(C2CN(C[C@H](O)c3ccccc3)C2)[nH]n1 ZINC001602254062 1175182361 /nfs/dbraw/zinc/18/23/61/1175182361.db2.gz LPKJYKJRTOOFNU-AWEZNQCLSA-N -1 1 287.319 1.241 20 0 CDADMM O=C([O-])c1cnc(N[C@@H](c2nnc[nH]2)c2ccccc2)nc1 ZINC001602529073 1175273001 /nfs/dbraw/zinc/27/30/01/1175273001.db2.gz GNQFIZWSINVCGM-LLVKDONJSA-N -1 1 296.290 1.494 20 0 CDADMM O=C([O-])c1cnc(N[C@H](c2nnc[nH]2)c2ccccc2)nc1 ZINC001602529081 1175273614 /nfs/dbraw/zinc/27/36/14/1175273614.db2.gz GNQFIZWSINVCGM-NSHDSACASA-N -1 1 296.290 1.494 20 0 CDADMM O=C([O-])c1cncc(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)c1 ZINC001602537966 1175278802 /nfs/dbraw/zinc/27/88/02/1175278802.db2.gz HNHJUDZQMDLLQM-JTQLQIEISA-N -1 1 264.281 1.076 20 0 CDADMM C(=Cc1ccccc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001602745888 1175381659 /nfs/dbraw/zinc/38/16/59/1175381659.db2.gz WRRCBVRSLHHGRM-QPJJXVBHSA-N -1 1 279.307 1.782 20 0 CDADMM C(=Cc1ccccc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001602745888 1175381667 /nfs/dbraw/zinc/38/16/67/1175381667.db2.gz WRRCBVRSLHHGRM-QPJJXVBHSA-N -1 1 279.307 1.782 20 0 CDADMM C=C/C=C/CC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001602806939 1175410063 /nfs/dbraw/zinc/41/00/63/1175410063.db2.gz BKZULOSRIVGVMX-ONEGZZNKSA-N -1 1 276.325 1.072 20 0 CDADMM C=C/C=C/CC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001602806939 1175410069 /nfs/dbraw/zinc/41/00/69/1175410069.db2.gz BKZULOSRIVGVMX-ONEGZZNKSA-N -1 1 276.325 1.072 20 0 CDADMM C=C/C=C\CCNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001602807815 1175410796 /nfs/dbraw/zinc/41/07/96/1175410796.db2.gz QIWVQAWRJQVYFP-ARJAWSKDSA-N -1 1 285.311 1.516 20 0 CDADMM C=C/C=C\CCNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001602807815 1175410798 /nfs/dbraw/zinc/41/07/98/1175410798.db2.gz QIWVQAWRJQVYFP-ARJAWSKDSA-N -1 1 285.311 1.516 20 0 CDADMM C/C(=C/CN1CCO[C@]2(CCSC2)C1)C(=O)[O-] ZINC001602965278 1175464959 /nfs/dbraw/zinc/46/49/59/1175464959.db2.gz WIFCARJWIMQNEZ-WJVNWJGRSA-N -1 1 257.355 1.225 20 0 CDADMM C[C@H](C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1)C1CCC1 ZINC001603020029 1175478860 /nfs/dbraw/zinc/47/88/60/1175478860.db2.gz YFEASHYHWOMMQT-VIFPVBQESA-N -1 1 287.323 1.713 20 0 CDADMM CC(=O)c1ccc(F)cc1NS(=O)(=O)CCC(=O)[O-] ZINC001603111537 1175493542 /nfs/dbraw/zinc/49/35/42/1175493542.db2.gz CMWLXSHOWYUVLZ-UHFFFAOYSA-N -1 1 289.284 1.245 20 0 CDADMM CC(C)C1CN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001603249067 1175526044 /nfs/dbraw/zinc/52/60/44/1175526044.db2.gz DZORIKCVRPOLOO-UHFFFAOYSA-N -1 1 261.285 1.188 20 0 CDADMM CC(C)C1CN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001603249067 1175526050 /nfs/dbraw/zinc/52/60/50/1175526050.db2.gz DZORIKCVRPOLOO-UHFFFAOYSA-N -1 1 261.285 1.188 20 0 CDADMM CC(C)OC(=O)CCCNc1ccnc(-c2nnn[n-]2)c1 ZINC001603340919 1175542385 /nfs/dbraw/zinc/54/23/85/1175542385.db2.gz MWXOMSKIZHXWJB-UHFFFAOYSA-N -1 1 290.327 1.405 20 0 CDADMM CC(C)OC(=O)CCCNc1ccnc(-c2nn[n-]n2)c1 ZINC001603340919 1175542392 /nfs/dbraw/zinc/54/23/92/1175542392.db2.gz MWXOMSKIZHXWJB-UHFFFAOYSA-N -1 1 290.327 1.405 20 0 CDADMM CC(C)c1noc(NCc2cccc(-c3nnn[n-]3)n2)n1 ZINC001603421521 1175550793 /nfs/dbraw/zinc/55/07/93/1175550793.db2.gz VBNPMMCFSPQKEA-UHFFFAOYSA-N -1 1 286.299 1.380 20 0 CDADMM CC(C)c1noc(NCc2cccc(-c3nn[n-]n3)n2)n1 ZINC001603421521 1175550799 /nfs/dbraw/zinc/55/07/99/1175550799.db2.gz VBNPMMCFSPQKEA-UHFFFAOYSA-N -1 1 286.299 1.380 20 0 CDADMM C[C@H](CCc1ccco1)Nc1ncncc1-c1nn[n-]n1 ZINC001603503072 1175558753 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CCc1ccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)s1 ZINC000732089670 575079150 /nfs/dbraw/zinc/07/91/50/575079150.db2.gz AGNQVRDTUMFPBH-SECBINFHSA-N -1 1 293.352 1.037 20 0 CDADMM O=C(Nc1ccc(N2CCOC2=O)cc1)c1cncc([O-])c1 ZINC000732275538 575085780 /nfs/dbraw/zinc/08/57/80/575085780.db2.gz KBRHWXHAUDSFRS-UHFFFAOYSA-N -1 1 299.286 1.996 20 0 CDADMM O=C([O-])[C@@H]1[C@H](O)CCCN1Cc1coc2ccccc12 ZINC001601752897 1174987915 /nfs/dbraw/zinc/98/79/15/1174987915.db2.gz KXNAAXYTZWUSOX-OCCSQVGLSA-N -1 1 275.304 1.843 20 0 CDADMM O=C([O-])[C@@H]1[C@H](O)CCCN1Cc1cc2ccncc2s1 ZINC001601755378 1174989891 /nfs/dbraw/zinc/98/98/91/1174989891.db2.gz PUTSHZPIRRKOIO-YPMHNXCESA-N -1 1 292.360 1.706 20 0 CDADMM CC[C@@H](OC)C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774935594 575253292 /nfs/dbraw/zinc/25/32/92/575253292.db2.gz DNTUTBLIYBSFKL-SSDOTTSWSA-N -1 1 271.235 1.023 20 0 CDADMM CC(C)(C)c1noc(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000735655446 575495871 /nfs/dbraw/zinc/49/58/71/575495871.db2.gz PETCUUVFKVXFLU-UHFFFAOYSA-N -1 1 271.284 1.609 20 0 CDADMM CC(C)(C)c1noc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000735655446 575495874 /nfs/dbraw/zinc/49/58/74/575495874.db2.gz PETCUUVFKVXFLU-UHFFFAOYSA-N -1 1 271.284 1.609 20 0 CDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccnc1 ZINC000736159115 575580022 /nfs/dbraw/zinc/58/00/22/575580022.db2.gz USGRBWOUIOPGSF-SECBINFHSA-N -1 1 296.290 1.575 20 0 CDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccnc1 ZINC000736159115 575580024 /nfs/dbraw/zinc/58/00/24/575580024.db2.gz USGRBWOUIOPGSF-SECBINFHSA-N -1 1 296.290 1.575 20 0 CDADMM C[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000736280307 575610732 /nfs/dbraw/zinc/61/07/32/575610732.db2.gz PVXRDBCWOLEHLB-YFKPBYRVSA-N -1 1 270.749 1.823 20 0 CDADMM C[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000736280307 575610735 /nfs/dbraw/zinc/61/07/35/575610735.db2.gz PVXRDBCWOLEHLB-YFKPBYRVSA-N -1 1 270.749 1.823 20 0 CDADMM CCCCCC[N@@H+](C)CC(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000736446995 575663518 /nfs/dbraw/zinc/66/35/18/575663518.db2.gz 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Cc1nc(-c2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)co1 ZINC001606024027 1163749436 /nfs/dbraw/zinc/74/94/36/1163749436.db2.gz STQPCOFZLIDDNU-UHFFFAOYSA-N -1 1 296.250 1.275 20 0 CDADMM Cc1nc(-c2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)co1 ZINC001606024027 1163749442 /nfs/dbraw/zinc/74/94/42/1163749442.db2.gz STQPCOFZLIDDNU-UHFFFAOYSA-N -1 1 296.250 1.275 20 0 CDADMM Cc1noc(C)c1[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccn1 ZINC001606129172 1163780323 /nfs/dbraw/zinc/78/03/23/1163780323.db2.gz FWGKBPPJFSERMH-QMMMGPOBSA-N -1 1 299.338 1.717 20 0 CDADMM CN(Cc1cnc[nH]1)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001606145897 1163786653 /nfs/dbraw/zinc/78/66/53/1163786653.db2.gz OBMCWEZXGMZOSA-DMWPJOQESA-N -1 1 292.339 1.050 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc([C@H]2C[C@H]2C)no1 ZINC001606164887 1163793771 /nfs/dbraw/zinc/79/37/71/1163793771.db2.gz IDDODNJEANEBBC-VDTYLAMSSA-N -1 1 272.268 1.942 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc([C@H]2C[C@H]2C)no1 ZINC001606164887 1163793774 /nfs/dbraw/zinc/79/37/74/1163793774.db2.gz IDDODNJEANEBBC-VDTYLAMSSA-N -1 1 272.268 1.942 20 0 CDADMM Cn1cc(Cl)c(NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001606241984 1163826337 /nfs/dbraw/zinc/82/63/37/1163826337.db2.gz FAKAEMYDYRSYSU-UHFFFAOYSA-N -1 1 296.747 1.322 20 0 CDADMM Cn1cc(Cl)c(NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001606241984 1163826343 /nfs/dbraw/zinc/82/63/43/1163826343.db2.gz FAKAEMYDYRSYSU-UHFFFAOYSA-N -1 1 296.747 1.322 20 0 CDADMM FC1(F)C[C@H]2CC[C@@H](C1)N2c1ncncc1-c1nn[n-]n1 ZINC001606300031 1163845492 /nfs/dbraw/zinc/84/54/92/1163845492.db2.gz FVMUMEJEXSPPIC-OCAPTIKFSA-N -1 1 293.281 1.423 20 0 CDADMM FC(F)c1noc(CNCc2ccc(-c3nnn[n-]3)o2)n1 ZINC001606299827 1163845783 /nfs/dbraw/zinc/84/57/83/1163845783.db2.gz HLHOOTBLVGYPFY-UHFFFAOYSA-N -1 1 297.225 1.070 20 0 CDADMM FC(F)c1noc(CNCc2ccc(-c3nn[n-]n3)o2)n1 ZINC001606299827 1163845791 /nfs/dbraw/zinc/84/57/91/1163845791.db2.gz HLHOOTBLVGYPFY-UHFFFAOYSA-N -1 1 297.225 1.070 20 0 CDADMM F[C@@H]1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001606300459 1163846812 /nfs/dbraw/zinc/84/68/12/1163846812.db2.gz VOIVOJGOEYLCKW-HTQZYQBOSA-N -1 1 263.280 1.349 20 0 CDADMM F[C@@H]1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001606300459 1163846815 /nfs/dbraw/zinc/84/68/15/1163846815.db2.gz VOIVOJGOEYLCKW-HTQZYQBOSA-N -1 1 263.280 1.349 20 0 CDADMM Fc1ccccc1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001606336179 1163866920 /nfs/dbraw/zinc/86/69/20/1163866920.db2.gz WYPWBDXFAALOHL-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM Fc1ccccc1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001606336179 1163866926 /nfs/dbraw/zinc/86/69/26/1163866926.db2.gz WYPWBDXFAALOHL-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606662930 1163952654 /nfs/dbraw/zinc/95/26/54/1163952654.db2.gz KVSNRZVOVOQTGN-FBIMIBRVSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606662930 1163952661 /nfs/dbraw/zinc/95/26/61/1163952661.db2.gz KVSNRZVOVOQTGN-FBIMIBRVSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(NCc1ccoc1)c1ccsc1-c1nnn[n-]1 ZINC001606841655 1164012481 /nfs/dbraw/zinc/01/24/81/1164012481.db2.gz HVPFFLJTJRUQRC-UHFFFAOYSA-N -1 1 275.293 1.451 20 0 CDADMM O=C(NCc1ccoc1)c1ccsc1-c1nn[n-]n1 ZINC001606841655 1164012490 /nfs/dbraw/zinc/01/24/90/1164012490.db2.gz HVPFFLJTJRUQRC-UHFFFAOYSA-N -1 1 275.293 1.451 20 0 CDADMM O=C(NOc1ccc(F)cc1)c1coc(-c2nnn[n-]2)c1 ZINC001606863512 1164019755 /nfs/dbraw/zinc/01/97/55/1164019755.db2.gz DBKWEEWQJUUHJI-UHFFFAOYSA-N -1 1 289.226 1.323 20 0 CDADMM O=C(NOc1ccc(F)cc1)c1coc(-c2nn[n-]n2)c1 ZINC001606863512 1164019764 /nfs/dbraw/zinc/01/97/64/1164019764.db2.gz DBKWEEWQJUUHJI-UHFFFAOYSA-N -1 1 289.226 1.323 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1Cc2ccc(O)cc2C1 ZINC001607032833 1164064969 /nfs/dbraw/zinc/06/49/69/1164064969.db2.gz NPLQUDTVRICQJO-UHFFFAOYSA-N -1 1 297.274 1.321 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1Cc2ccc(O)cc2C1 ZINC001607032833 1164064974 /nfs/dbraw/zinc/06/49/74/1164064974.db2.gz NPLQUDTVRICQJO-UHFFFAOYSA-N -1 1 297.274 1.321 20 0 CDADMM O=c1c(-c2nn[n-]n2)c2c(cn1CCCC1CC1)CCC2 ZINC001607088936 1164073406 /nfs/dbraw/zinc/07/34/06/1164073406.db2.gz CWLNMBSTGCSYBW-UHFFFAOYSA-N -1 1 285.351 1.707 20 0 CDADMM c1cc(CCNc2cccc(-c3nnn[n-]3)n2)co1 ZINC001607121558 1164103515 /nfs/dbraw/zinc/10/35/15/1164103515.db2.gz PSMPRRKKQBYGEK-UHFFFAOYSA-N -1 1 256.269 1.509 20 0 CDADMM c1cc(CCNc2cccc(-c3nn[n-]n3)n2)co1 ZINC001607121558 1164103521 /nfs/dbraw/zinc/10/35/21/1164103521.db2.gz PSMPRRKKQBYGEK-UHFFFAOYSA-N -1 1 256.269 1.509 20 0 CDADMM c1cc(Sc2ccc(-c3nnn[n-]3)nn2)cc2c1OCC2 ZINC001607123536 1164106706 /nfs/dbraw/zinc/10/67/06/1164106706.db2.gz RWLPFBCGVKFZGB-UHFFFAOYSA-N -1 1 298.331 1.743 20 0 CDADMM c1cc(Sc2ccc(-c3nn[n-]n3)nn2)cc2c1OCC2 ZINC001607123536 1164106710 /nfs/dbraw/zinc/10/67/10/1164106710.db2.gz RWLPFBCGVKFZGB-UHFFFAOYSA-N -1 1 298.331 1.743 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](C3CC3)C2)n1 ZINC001607136671 1164116195 /nfs/dbraw/zinc/11/61/95/1164116195.db2.gz NQOJZYZUNUABDK-SNVBAGLBSA-N -1 1 271.328 1.283 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](C3CC3)C2)n1 ZINC001607136671 1164116199 /nfs/dbraw/zinc/11/61/99/1164116199.db2.gz NQOJZYZUNUABDK-SNVBAGLBSA-N -1 1 271.328 1.283 20 0 CDADMM COc1nccc(CN2CC[C@H](C(=O)[O-])[C@@H]2C)c1F ZINC001607360363 1164157792 /nfs/dbraw/zinc/15/77/92/1164157792.db2.gz HLRXVRZUJANKOA-WPRPVWTQSA-N -1 1 268.288 1.524 20 0 CDADMM Cc1cc([C@H](C)NCC(=O)NCCC(=O)[O-])c(C)o1 ZINC001607609806 1164241251 /nfs/dbraw/zinc/24/12/51/1164241251.db2.gz WUZOBSAWVQHMJP-VIFPVBQESA-N -1 1 268.313 1.138 20 0 CDADMM Cc1cc(CN2CCc3cn[nH]c3C2)ccc1C(=O)[O-] ZINC001607641385 1164252023 /nfs/dbraw/zinc/25/20/23/1164252023.db2.gz AUEZHTFTGUHVFB-UHFFFAOYSA-N -1 1 271.320 1.975 20 0 CDADMM Cc1cc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)c(C(=O)[O-])[nH]1 ZINC001607675738 1164265693 /nfs/dbraw/zinc/26/56/93/1164265693.db2.gz HBSMOTCXBQHDOO-MRVPVSSYSA-N -1 1 288.307 1.488 20 0 CDADMM Cc1cncc(CCN[C@H](C)c2ncc(C(=O)[O-])s2)n1 ZINC001607910108 1164334593 /nfs/dbraw/zinc/33/45/93/1164334593.db2.gz UKNPVHRYNJCNQZ-SECBINFHSA-N -1 1 292.364 1.833 20 0 CDADMM Cc1ncc(CN2CCC(n3cc(C(=O)[O-])nn3)CC2)o1 ZINC001607978052 1164358536 /nfs/dbraw/zinc/35/85/36/1164358536.db2.gz IIKTZIIEQXMUHV-UHFFFAOYSA-N -1 1 291.311 1.110 20 0 CDADMM Cc1ncc(CN2[C@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)o1 ZINC001607977766 1164358583 /nfs/dbraw/zinc/35/85/83/1164358583.db2.gz DEYFIOBAKINWRK-ZJNJWXDTSA-N -1 1 280.324 1.578 20 0 CDADMM Cn1nncc1CNCc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001608167939 1164431938 /nfs/dbraw/zinc/43/19/38/1164431938.db2.gz LYRUGSOLPWDNIG-UHFFFAOYSA-N -1 1 275.312 1.009 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC001608526217 1164532856 /nfs/dbraw/zinc/53/28/56/1164532856.db2.gz NTGOHDHUDCWRMD-NKWVEPMBSA-N -1 1 279.683 1.876 20 0 CDADMM O=C([O-])[C@H](CF)NCc1ccc2scnc2c1 ZINC001608534093 1164536279 /nfs/dbraw/zinc/53/62/79/1164536279.db2.gz QPJUTFZKEVBANF-VIFPVBQESA-N -1 1 254.286 1.809 20 0 CDADMM O=C([O-])[C@@H]1CC12CCN(Cc1cn(C3CC3)nn1)CC2 ZINC001608608905 1164572894 /nfs/dbraw/zinc/57/28/94/1164572894.db2.gz YCBXGJKFUCQSRZ-LBPRGKRZSA-N -1 1 276.340 1.300 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@H]3CCCN3C3CC3)[C@@H]2C1 ZINC001608651240 1164590297 /nfs/dbraw/zinc/59/02/97/1164590297.db2.gz PQVVWYOBOCNGJC-NBUWXKEQSA-N -1 1 292.379 1.229 20 0 CDADMM O=C([O-])[C@H]1C[C@@H]2C[C@H](Nc3ncnc4[nH]cnc43)[C@@H]2C1 ZINC001608651602 1164590672 /nfs/dbraw/zinc/59/06/72/1164590672.db2.gz BZDGNVRLVZSQAN-XAVMHZPKSA-N -1 1 273.296 1.264 20 0 CDADMM O=C([O-])CC[N@@H+](CCOC1CCCCCC1)CC(=O)[O-] ZINC001608721526 1164620502 /nfs/dbraw/zinc/62/05/02/1164620502.db2.gz ATZJOGIOLGILCN-UHFFFAOYSA-N -1 1 287.356 1.587 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)c1c2[nH]cnc2ccc1F ZINC001608812542 1164646282 /nfs/dbraw/zinc/64/62/82/1164646282.db2.gz BDYPYWGPHOAIGE-RCOVLWMOSA-N -1 1 295.245 1.339 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(Cn3nccc3-c3ccncc3)C[C@@H]21 ZINC001608817189 1164648125 /nfs/dbraw/zinc/64/81/25/1164648125.db2.gz DYMVNBAORUUYIU-IMRBUKKESA-N -1 1 284.319 1.165 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc2c(cccc2O)s1 ZINC001608823816 1164652402 /nfs/dbraw/zinc/65/24/02/1164652402.db2.gz TURFZBZCBHYCCI-LDYMZIIASA-N -1 1 293.344 1.627 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](O)CN1Cc1cc2c(cccc2O)s1 ZINC001608823816 1164652406 /nfs/dbraw/zinc/65/24/06/1164652406.db2.gz TURFZBZCBHYCCI-LDYMZIIASA-N -1 1 293.344 1.627 20 0 CDADMM O=C([O-])c1cc2n(n1)CCC[C@@H]2N[C@@H]1C[C@H]1C(F)(F)F ZINC001608867353 1164665739 /nfs/dbraw/zinc/66/57/39/1164665739.db2.gz HBZFXKQJGXCGCH-GJMOJQLCSA-N -1 1 289.257 1.957 20 0 CDADMM O=C([O-])c1cncc(NCc2n[nH]c(-c3ccccc3)n2)n1 ZINC001608981890 1164704854 /nfs/dbraw/zinc/70/48/54/1164704854.db2.gz JMTCDYBKXSJBDG-UHFFFAOYSA-N -1 1 296.290 1.572 20 0 CDADMM O=C([O-])c1cncc(NCc2nc(-c3ccccc3)n[nH]2)n1 ZINC001608981890 1164704860 /nfs/dbraw/zinc/70/48/60/1164704860.db2.gz JMTCDYBKXSJBDG-UHFFFAOYSA-N -1 1 296.290 1.572 20 0 CDADMM O=C([O-])c1coc(CNC(=O)[C@@H]2CCCc3[nH]ncc32)c1 ZINC001608988556 1164710580 /nfs/dbraw/zinc/71/05/80/1164710580.db2.gz OFOTYLKNRYTXDN-SNVBAGLBSA-N -1 1 289.291 1.437 20 0 CDADMM CC(C)[C@H](C)Sc1cnc(-c2nnn[n-]2)cn1 ZINC001609086648 1164763254 /nfs/dbraw/zinc/76/32/54/1164763254.db2.gz BWXXMYFEYGIDTP-ZETCQYMHSA-N -1 1 250.331 1.793 20 0 CDADMM CC(C)[C@H](C)Sc1cnc(-c2nn[n-]n2)cn1 ZINC001609086648 1164763262 /nfs/dbraw/zinc/76/32/62/1164763262.db2.gz BWXXMYFEYGIDTP-ZETCQYMHSA-N -1 1 250.331 1.793 20 0 CDADMM CC(C)[C@@](C)(CO)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609086962 1164763383 /nfs/dbraw/zinc/76/33/83/1164763383.db2.gz VXQSIIGIRRDGEP-GFCCVEGCSA-N -1 1 295.368 1.065 20 0 CDADMM CC(C)[C@@](C)(CO)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609086962 1164763388 /nfs/dbraw/zinc/76/33/88/1164763388.db2.gz VXQSIIGIRRDGEP-GFCCVEGCSA-N -1 1 295.368 1.065 20 0 CDADMM CC(F)(F)CCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609116221 1164779821 /nfs/dbraw/zinc/77/98/21/1164779821.db2.gz DBQGEILJDBGBRU-UHFFFAOYSA-N -1 1 271.227 1.235 20 0 CDADMM CC(F)(F)CCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609116221 1164779826 /nfs/dbraw/zinc/77/98/26/1164779826.db2.gz DBQGEILJDBGBRU-UHFFFAOYSA-N -1 1 271.227 1.235 20 0 CDADMM CCC(CC)N(CC)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609189328 1164830765 /nfs/dbraw/zinc/83/07/65/1164830765.db2.gz SERMMFLWLYSENW-UHFFFAOYSA-N -1 1 288.355 1.912 20 0 CDADMM CCC(CC)N(CC)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609189328 1164830773 /nfs/dbraw/zinc/83/07/73/1164830773.db2.gz SERMMFLWLYSENW-UHFFFAOYSA-N -1 1 288.355 1.912 20 0 CDADMM CCc1ccccc1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609253295 1164867029 /nfs/dbraw/zinc/86/70/29/1164867029.db2.gz DHOQFFDCDPVPFD-UHFFFAOYSA-N -1 1 297.318 1.952 20 0 CDADMM CCc1ccccc1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609253295 1164867035 /nfs/dbraw/zinc/86/70/35/1164867035.db2.gz DHOQFFDCDPVPFD-UHFFFAOYSA-N -1 1 297.318 1.952 20 0 CDADMM CCn1ccc(CN(C)c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001609258661 1164867348 /nfs/dbraw/zinc/86/73/48/1164867348.db2.gz PRTPMLNWMQOILS-UHFFFAOYSA-N -1 1 284.327 1.115 20 0 CDADMM CCn1ccc(CN(C)c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001609258661 1164867358 /nfs/dbraw/zinc/86/73/58/1164867358.db2.gz PRTPMLNWMQOILS-UHFFFAOYSA-N -1 1 284.327 1.115 20 0 CDADMM CCc1nc(CNc2cccc(-c3nnn[n-]3)n2)co1 ZINC001609254942 1164868009 /nfs/dbraw/zinc/86/80/09/1164868009.db2.gz NFPOMZZKRVNWTJ-UHFFFAOYSA-N -1 1 271.284 1.424 20 0 CDADMM CCc1nc(CNc2cccc(-c3nn[n-]n3)n2)co1 ZINC001609254942 1164868016 /nfs/dbraw/zinc/86/80/16/1164868016.db2.gz NFPOMZZKRVNWTJ-UHFFFAOYSA-N -1 1 271.284 1.424 20 0 CDADMM CO[C@H](COc1cnc(-c2nn[n-]n2)nc1)CC(C)C ZINC001609311096 1164888436 /nfs/dbraw/zinc/88/84/36/1164888436.db2.gz PQBPRSSZXJWWTH-VIFPVBQESA-N -1 1 278.316 1.097 20 0 CDADMM C[C@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001609376082 1164915669 /nfs/dbraw/zinc/91/56/69/1164915669.db2.gz OGHDTGPPJULWCM-ZETCQYMHSA-N -1 1 259.269 1.217 20 0 CDADMM C[C@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001609376082 1164915677 /nfs/dbraw/zinc/91/56/77/1164915677.db2.gz OGHDTGPPJULWCM-ZETCQYMHSA-N -1 1 259.269 1.217 20 0 CDADMM Cc1c(Nc2nc(Cl)c(-c3nnn[n-]3)s2)cnn1C ZINC001609385570 1164920947 /nfs/dbraw/zinc/92/09/47/1164920947.db2.gz JFCUVWGINLAJNU-UHFFFAOYSA-N -1 1 296.747 1.762 20 0 CDADMM Cc1c(Nc2nc(Cl)c(-c3nn[n-]n3)s2)cnn1C ZINC001609385570 1164920952 /nfs/dbraw/zinc/92/09/52/1164920952.db2.gz JFCUVWGINLAJNU-UHFFFAOYSA-N -1 1 296.747 1.762 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2C[C@@H](C)O[C@H]2C)n1 ZINC001609392107 1164926836 /nfs/dbraw/zinc/92/68/36/1164926836.db2.gz GZVKDAVRVKCZTL-UTLUCORTSA-N -1 1 289.343 1.191 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2C[C@@H](C)O[C@H]2C)n1 ZINC001609392107 1164926839 /nfs/dbraw/zinc/92/68/39/1164926839.db2.gz GZVKDAVRVKCZTL-UTLUCORTSA-N -1 1 289.343 1.191 20 0 CDADMM Cc1cccc(CCC(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC001609431155 1164943569 /nfs/dbraw/zinc/94/35/69/1164943569.db2.gz SCSZPXHIWINCRX-UHFFFAOYSA-N -1 1 297.322 1.227 20 0 CDADMM Cc1nnc(CSc2cccc(F)c2-c2nn[n-]n2)o1 ZINC001609461173 1164957770 /nfs/dbraw/zinc/95/77/70/1164957770.db2.gz QVMGWKHGHAZXTP-UHFFFAOYSA-N -1 1 292.299 1.990 20 0 CDADMM Cc1nsc(N2CC3(C2)CC(F)(F)C3)c1-c1nn[n-]n1 ZINC001609463988 1164961982 /nfs/dbraw/zinc/96/19/82/1164961982.db2.gz KRGRNBDUDVPBBO-UHFFFAOYSA-N -1 1 298.322 1.867 20 0 CDADMM Cc1nsc(N(C)C[C@@H]2CCC[C@H]2O)c1-c1nn[n-]n1 ZINC001609464009 1164962985 /nfs/dbraw/zinc/96/29/85/1164962985.db2.gz LYNPYYGROBRJJI-DTWKUNHWSA-N -1 1 294.384 1.229 20 0 CDADMM CC(=O)[C@@](C)(O)CN1CCc2c(cccc2C(=O)[O-])C1 ZINC001609567842 1164990070 /nfs/dbraw/zinc/99/00/70/1164990070.db2.gz KEGABTGFOAXRKD-HNNXBMFYSA-N -1 1 277.320 1.083 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1Cc1ncc(Cl)s1 ZINC001609603720 1165001255 /nfs/dbraw/zinc/00/12/55/1165001255.db2.gz AIFZMYCIMOTEDS-UHFFFAOYSA-N -1 1 294.727 1.187 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CCC[C@@H]2C2CCCC2)n1 ZINC001609619773 1165015513 /nfs/dbraw/zinc/01/55/13/1165015513.db2.gz BYZSXHUOXGZXCQ-GFCCVEGCSA-N -1 1 285.355 1.816 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CCC[C@@H]2C2CCCC2)n1 ZINC001609619773 1165015515 /nfs/dbraw/zinc/01/55/15/1165015515.db2.gz BYZSXHUOXGZXCQ-GFCCVEGCSA-N -1 1 285.355 1.816 20 0 CDADMM C[C@H]1CCCN(C(=O)CN[C@H](C(=O)[O-])C2CCCCC2)C1 ZINC001609851922 1165112708 /nfs/dbraw/zinc/11/27/08/1165112708.db2.gz FOYPQKBEASBEDB-WFASDCNBSA-N -1 1 296.411 1.868 20 0 CDADMM CN(C)c1ccncc1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC001610106944 1165217751 /nfs/dbraw/zinc/21/77/51/1165217751.db2.gz JIZAQTOSFQPMGM-UHFFFAOYSA-N -1 1 289.291 1.369 20 0 CDADMM Cc1cccc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c1 ZINC001610518464 1165337454 /nfs/dbraw/zinc/33/74/54/1165337454.db2.gz FSHFDJRKHHEVBG-ZDUSSCGKSA-N -1 1 290.363 1.616 20 0 CDADMM Cc1nc([C@H](C)NC(=O)c2cccc(CC(=O)[O-])c2)n[nH]1 ZINC001610572528 1165360656 /nfs/dbraw/zinc/36/06/56/1165360656.db2.gz FXPNFHAUXRXSPZ-QMMMGPOBSA-N -1 1 288.307 1.231 20 0 CDADMM Cn1cc(NC(=O)c2cn[nH]c2C(C)(C)C)cc1C(=O)[O-] ZINC001610605906 1165375309 /nfs/dbraw/zinc/37/53/09/1165375309.db2.gz LPRAPHOMSDYNFS-UHFFFAOYSA-N -1 1 290.323 1.996 20 0 CDADMM O=C([O-])[C@@H](c1ccccc1Cl)N1CCc2n[nH]nc2C1 ZINC001610726099 1165417939 /nfs/dbraw/zinc/41/79/39/1165417939.db2.gz RSOYVBQYQFCXRA-GFCCVEGCSA-N -1 1 292.726 1.642 20 0 CDADMM O=C([O-])c1cc(CN2CC[C@H]([C@H](O)C(F)(F)F)C2)c[nH]1 ZINC001610810646 1165450160 /nfs/dbraw/zinc/45/01/60/1165450160.db2.gz BXXPVZJXPVKLPO-WPRPVWTQSA-N -1 1 292.257 1.458 20 0 CDADMM O=C([O-])c1cn([C@@H]2CCCN(Cc3ccccn3)C2)nn1 ZINC001610857325 1165464868 /nfs/dbraw/zinc/46/48/68/1165464868.db2.gz WKEZDJXPFMIRHN-GFCCVEGCSA-N -1 1 287.323 1.208 20 0 CDADMM O=C([O-])c1coc(CN2CCC(Cn3cncn3)CC2)c1 ZINC001610868209 1165468798 /nfs/dbraw/zinc/46/87/98/1165468798.db2.gz YWPLXDHYCGNWHA-UHFFFAOYSA-N -1 1 290.323 1.482 20 0 CDADMM CC(C)C[C@@H](C)OCCC(=O)Nc1c[n-][nH]c1=O ZINC001611380448 1165492447 /nfs/dbraw/zinc/49/24/47/1165492447.db2.gz UOYQDYWFMIPYLB-SECBINFHSA-N -1 1 255.318 1.895 20 0 CDADMM Cc1cc(=NS(=O)(=O)c2cn[n-]c2)c2ccccc2[nH]1 ZINC000037744560 1165787405 /nfs/dbraw/zinc/78/74/05/1165787405.db2.gz ACPJWEJDWNKJQS-UHFFFAOYSA-N -1 1 288.332 1.489 20 0 CDADMM O=C(Cc1c[nH]cn1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001629758532 1166162293 /nfs/dbraw/zinc/16/22/93/1166162293.db2.gz LOUWGTYLMSSROW-UHFFFAOYSA-N -1 1 283.291 1.687 20 0 CDADMM CCC(CC)(NC(=O)CC(C)(F)F)c1nn[n-]n1 ZINC001634819893 1166539061 /nfs/dbraw/zinc/53/90/61/1166539061.db2.gz HHUUJXPLOBEHPX-UHFFFAOYSA-N -1 1 261.276 1.377 20 0 CDADMM C[C@H]1[C@H](CO)CCN1C(=O)c1c([O-])cccc1Cl ZINC001635232492 1166569166 /nfs/dbraw/zinc/56/91/66/1166569166.db2.gz DLIYYTCOPNOVTD-IUCAKERBSA-N -1 1 269.728 1.889 20 0 CDADMM Oc1ccc(Sc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC000095146694 1166594938 /nfs/dbraw/zinc/59/49/38/1166594938.db2.gz WATFQUJMOYWNPB-UHFFFAOYSA-N -1 1 272.293 1.514 20 0 CDADMM Oc1ccc(Sc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC000095146694 1166594930 /nfs/dbraw/zinc/59/49/30/1166594930.db2.gz WATFQUJMOYWNPB-UHFFFAOYSA-N -1 1 272.293 1.514 20 0 CDADMM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000095265570 1166614948 /nfs/dbraw/zinc/61/49/48/1166614948.db2.gz LZURQJBSVKMYFG-KCJUWKMLSA-N -1 1 273.296 1.373 20 0 CDADMM CCC(CC)(NC(=O)[C@@H]1CCCS1)c1nn[n-]n1 ZINC000095261842 1166615215 /nfs/dbraw/zinc/61/52/15/1166615215.db2.gz MOLLHXPYBNTBHA-QMMMGPOBSA-N -1 1 269.374 1.227 20 0 CDADMM O=C(CCCc1nn[n-]n1)Nc1cccc2[nH]c(=O)oc21 ZINC001637209605 1166738854 /nfs/dbraw/zinc/73/88/54/1166738854.db2.gz IERGNZVXRNZKMC-UHFFFAOYSA-N -1 1 288.267 1.008 20 0 CDADMM Cc1ccc(CCNC(=O)c2ccc([O-])cn2)nc1 ZINC001637492434 1166762497 /nfs/dbraw/zinc/76/24/97/1166762497.db2.gz FVGBFIVBRDTLDV-UHFFFAOYSA-N -1 1 257.293 1.463 20 0 CDADMM Cc1cc2nc(C)cc(C(=O)Nc3c(C)[n-][nH]c3=O)n2n1 ZINC001637952324 1166807026 /nfs/dbraw/zinc/80/70/26/1166807026.db2.gz KNEDZHWZIXISRU-UHFFFAOYSA-N -1 1 286.295 1.336 20 0 CDADMM O=C(N[C@H]1C[C@H]1C1CC1)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155276690 1167113835 /nfs/dbraw/zinc/11/38/35/1167113835.db2.gz QONQTRZIQFNFIR-QWRGUYRKSA-N -1 1 257.293 1.797 20 0 CDADMM Cc1nc([N-]C(=O)c2ncoc2[C@@H]2CCCO2)nn1C ZINC001645834997 1167527604 /nfs/dbraw/zinc/52/76/04/1167527604.db2.gz AVEPCAATVDTSEM-QMMMGPOBSA-N -1 1 277.284 1.215 20 0 CDADMM O=C([O-])[C@@H](CO)NCc1ccc(F)cc1Br ZINC001646234114 1167715357 /nfs/dbraw/zinc/71/53/57/1167715357.db2.gz DUDXSAKEVMWBTD-SECBINFHSA-N -1 1 292.104 1.123 20 0 CDADMM O=C(Nc1cc(-c2nc[nH]n2)ccc1F)c1cncc([O-])c1 ZINC001448624480 1167729317 /nfs/dbraw/zinc/72/93/17/1167729317.db2.gz VLSWNHYXUQVNAD-UHFFFAOYSA-N -1 1 299.265 1.964 20 0 CDADMM Cc1cn2ccc(NC(=O)c3cncc([O-])c3)cc2n1 ZINC001646443764 1167858748 /nfs/dbraw/zinc/85/87/48/1167858748.db2.gz GQBAJZWORNFALQ-UHFFFAOYSA-N -1 1 268.276 1.996 20 0 CDADMM C[C@H]1COCCN1C1CCN(c2nc(C(=O)[O-])co2)CC1 ZINC001646506192 1167886169 /nfs/dbraw/zinc/88/61/69/1167886169.db2.gz ZOIBENOMIFAICU-JTQLQIEISA-N -1 1 295.339 1.062 20 0 CDADMM O=C(c1ccc(Cl)[nH]1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001649313095 1169189247 /nfs/dbraw/zinc/18/92/47/1169189247.db2.gz RPOUYRCTMALBCV-SSDOTTSWSA-N -1 1 298.759 1.112 20 0 CDADMM CC[C@@H](C)CC(=O)NC(CC)(CC)c1nn[n-]n1 ZINC001568664851 1169420723 /nfs/dbraw/zinc/42/07/23/1169420723.db2.gz WWOKPPGPAHWTPA-SECBINFHSA-N -1 1 253.350 1.767 20 0 CDADMM Cc1cc(=O)[n-]c(C[NH2+][C@@](C)(CC(=O)[O-])C(C)C)n1 ZINC001574144360 1170895361 /nfs/dbraw/zinc/89/53/61/1170895361.db2.gz ONSSGPYJBILBEW-ZDUSSCGKSA-N -1 1 267.329 1.470 20 0 CDADMM O=C([O-])Nc1ccc(C(=O)N[C@@]23CC[N@@H+](C2)CCC3)cc1 ZINC001574381185 1170963164 /nfs/dbraw/zinc/96/31/64/1170963164.db2.gz XHFJHOAVAZDGLX-HNNXBMFYSA-N -1 1 289.335 1.745 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)[C@H]1CCc2ccccc2O1 ZINC001651046071 1171281562 /nfs/dbraw/zinc/28/15/62/1171281562.db2.gz JPZIVGIKOODWJN-LLVKDONJSA-N -1 1 259.265 1.448 20 0 CDADMM Cn1nnnc1-c1ccccc1NC(=O)c1ccc([O-])cn1 ZINC001653232851 1171523105 /nfs/dbraw/zinc/52/31/05/1171523105.db2.gz CKHFNLKKCUGUCW-UHFFFAOYSA-N -1 1 296.290 1.230 20 0 CDADMM CC/C=C(/F)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001577182917 1171617670 /nfs/dbraw/zinc/61/76/70/1171617670.db2.gz USWLHRBTPQTAPL-FPYGCLRLSA-N -1 1 281.316 1.808 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cnc(-c2ccccn2)s1 ZINC001654603328 1171624541 /nfs/dbraw/zinc/62/45/41/1171624541.db2.gz JOQDIPXGXPCFRR-UHFFFAOYSA-N -1 1 287.304 1.886 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1ccc(-n2cccc2)nc1 ZINC001654603451 1171625210 /nfs/dbraw/zinc/62/52/10/1171625210.db2.gz OGOUGWMNSKZTAT-UHFFFAOYSA-N -1 1 269.264 1.553 20 0 CDADMM Cc1cc(Oc2nc3c(cnn3C)c(=O)[n-]2)ccc1C(N)=O ZINC001655679797 1171714955 /nfs/dbraw/zinc/71/49/55/1171714955.db2.gz IUXRVJFBFYBYMQ-UHFFFAOYSA-N -1 1 299.290 1.269 20 0 CDADMM O=C([N-]OCc1ccccn1)[C@@H]1NCCOc2ccccc21 ZINC001580742896 1172526084 /nfs/dbraw/zinc/52/60/84/1172526084.db2.gz ITCJEPGHOOSMHJ-OAHLLOKOSA-N -1 1 299.330 1.353 20 0 CDADMM Cc1ccc(Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001581209614 1172595099 /nfs/dbraw/zinc/59/50/99/1172595099.db2.gz NNIISACESZVCOY-UHFFFAOYSA-N -1 1 253.269 1.709 20 0 CDADMM Cc1ccc(Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001581209614 1172595102 /nfs/dbraw/zinc/59/51/02/1172595102.db2.gz NNIISACESZVCOY-UHFFFAOYSA-N -1 1 253.269 1.709 20 0 CDADMM Cc1ccccc1CC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001581257992 1172600749 /nfs/dbraw/zinc/60/07/49/1172600749.db2.gz BFUWKOUGSXQYEO-UHFFFAOYSA-N -1 1 297.322 1.090 20 0 CDADMM Cc1ccccc1CC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001581257992 1172600754 /nfs/dbraw/zinc/60/07/54/1172600754.db2.gz BFUWKOUGSXQYEO-UHFFFAOYSA-N -1 1 297.322 1.090 20 0 CDADMM Cc1nccnc1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001581565653 1172616504 /nfs/dbraw/zinc/61/65/04/1172616504.db2.gz CBBSSICRJGLYRU-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1nccnc1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001581565653 1172616512 /nfs/dbraw/zinc/61/65/12/1172616512.db2.gz CBBSSICRJGLYRU-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM COc1cncc(NC(=O)c2ccc(O)cc2[O-])c1 ZINC001586899108 1172963122 /nfs/dbraw/zinc/96/31/22/1172963122.db2.gz VTAAJPGXAQHZLK-UHFFFAOYSA-N -1 1 260.249 1.754 20 0 CDADMM COC[C@@H](NC(=O)c1ccc([O-])cn1)c1ccco1 ZINC001587344571 1172981781 /nfs/dbraw/zinc/98/17/81/1172981781.db2.gz DHYGPBPFKMEQKL-LLVKDONJSA-N -1 1 262.265 1.498 20 0 CDADMM c1cc(NC[C@H]2CCC=CO2)nc(-c2nnn[n-]2)c1 ZINC001588385642 1173055999 /nfs/dbraw/zinc/05/59/99/1173055999.db2.gz GPOVOYQGVAHISR-SECBINFHSA-N -1 1 258.285 1.366 20 0 CDADMM c1cc(NC[C@H]2CCC=CO2)nc(-c2nn[n-]n2)c1 ZINC001588385642 1173056003 /nfs/dbraw/zinc/05/60/03/1173056003.db2.gz GPOVOYQGVAHISR-SECBINFHSA-N -1 1 258.285 1.366 20 0 CDADMM CC(C)(C(=O)[O-])C(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC001588618284 1173091078 /nfs/dbraw/zinc/09/10/78/1173091078.db2.gz DZXPANNEWCYCTE-UHFFFAOYSA-N -1 1 292.270 1.660 20 0 CDADMM CC(C)(C)C[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001589119119 1173126766 /nfs/dbraw/zinc/12/67/66/1173126766.db2.gz NBZIKLUDFBCOJN-JTQLQIEISA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)(C)C[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001589119119 1173126770 /nfs/dbraw/zinc/12/67/70/1173126770.db2.gz NBZIKLUDFBCOJN-JTQLQIEISA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)[C@@H](C)Sc1cc(-c2nnn[n-]2)ncn1 ZINC001589437047 1173143821 /nfs/dbraw/zinc/14/38/21/1173143821.db2.gz RFHYAYAULKGZQJ-SSDOTTSWSA-N -1 1 250.331 1.793 20 0 CDADMM CC(C)[C@@H](C)Sc1cc(-c2nn[n-]n2)ncn1 ZINC001589437047 1173143828 /nfs/dbraw/zinc/14/38/28/1173143828.db2.gz RFHYAYAULKGZQJ-SSDOTTSWSA-N -1 1 250.331 1.793 20 0 CDADMM CC(C)[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589508139 1173152744 /nfs/dbraw/zinc/15/27/44/1173152744.db2.gz WZOGWSCHBIUVSY-WDEREUQCSA-N -1 1 287.371 1.705 20 0 CDADMM CC(C)CC[C@H](C)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001589588234 1173160270 /nfs/dbraw/zinc/16/02/70/1173160270.db2.gz MBNKLEWLIXVNEI-VIFPVBQESA-N -1 1 261.333 1.893 20 0 CDADMM CC(C)CC[C@H](C)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001589588234 1173160274 /nfs/dbraw/zinc/16/02/74/1173160274.db2.gz MBNKLEWLIXVNEI-VIFPVBQESA-N -1 1 261.333 1.893 20 0 CDADMM CC(C)CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001589635945 1173162571 /nfs/dbraw/zinc/16/25/71/1173162571.db2.gz RLKLSAFZTIMDOO-UHFFFAOYSA-N -1 1 263.276 1.392 20 0 CDADMM CC(C)CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001589635945 1173162575 /nfs/dbraw/zinc/16/25/75/1173162575.db2.gz RLKLSAFZTIMDOO-UHFFFAOYSA-N -1 1 263.276 1.392 20 0 CDADMM CC(C)OC1CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001589739478 1173171454 /nfs/dbraw/zinc/17/14/54/1173171454.db2.gz LFPAGHRHKBISFB-UHFFFAOYSA-N -1 1 288.355 1.656 20 0 CDADMM CC(C)OC1CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001589739478 1173171457 /nfs/dbraw/zinc/17/14/57/1173171457.db2.gz LFPAGHRHKBISFB-UHFFFAOYSA-N -1 1 288.355 1.656 20 0 CDADMM C[C@H](CNc1ccnc(-c2nnn[n-]2)c1)CC(F)(F)F ZINC001589878463 1173191808 /nfs/dbraw/zinc/19/18/08/1173191808.db2.gz KJGYDYPECRPTTB-ZETCQYMHSA-N -1 1 286.261 1.684 20 0 CDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)c1)CC(F)(F)F ZINC001589878463 1173191814 /nfs/dbraw/zinc/19/18/14/1173191814.db2.gz KJGYDYPECRPTTB-ZETCQYMHSA-N -1 1 286.261 1.684 20 0 CDADMM C[C@H](COc1cnc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001589886993 1173196430 /nfs/dbraw/zinc/19/64/30/1173196430.db2.gz OXBBQCMTFAEKNL-MRVPVSSYSA-N -1 1 262.317 1.718 20 0 CDADMM C[C@H](Cc1ccsc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001589901665 1173198885 /nfs/dbraw/zinc/19/88/85/1173198885.db2.gz BQBKPKJVSWMQDS-MRVPVSSYSA-N -1 1 287.352 1.761 20 0 CDADMM C[C@H](Cc1ccsc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001589901665 1173198887 /nfs/dbraw/zinc/19/88/87/1173198887.db2.gz BQBKPKJVSWMQDS-MRVPVSSYSA-N -1 1 287.352 1.761 20 0 CDADMM CC1(C)CC(NC(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001590083150 1173249551 /nfs/dbraw/zinc/24/95/51/1173249551.db2.gz QISMWCSXMYOXIH-UHFFFAOYSA-N -1 1 289.314 1.924 20 0 CDADMM CC1(C)CC(NC(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001590083150 1173249555 /nfs/dbraw/zinc/24/95/55/1173249555.db2.gz QISMWCSXMYOXIH-UHFFFAOYSA-N -1 1 289.314 1.924 20 0 CDADMM CC1(C)CCC[C@]1(O)CNc1cccc(-c2nnn[n-]2)n1 ZINC001590096646 1173257583 /nfs/dbraw/zinc/25/75/83/1173257583.db2.gz IOXFYWHLFVDUKR-AWEZNQCLSA-N -1 1 288.355 1.615 20 0 CDADMM CC1(C)CCC[C@]1(O)CNc1cccc(-c2nn[n-]n2)n1 ZINC001590096646 1173257585 /nfs/dbraw/zinc/25/75/85/1173257585.db2.gz IOXFYWHLFVDUKR-AWEZNQCLSA-N -1 1 288.355 1.615 20 0 CDADMM C[C@@]1(c2ccccc2)C[C@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590152031 1173273721 /nfs/dbraw/zinc/27/37/21/1173273721.db2.gz QFIOGHIWXULSOJ-ZBFHGGJFSA-N -1 1 292.346 1.826 20 0 CDADMM C[C@@]1(c2ccccc2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590152031 1173273724 /nfs/dbraw/zinc/27/37/24/1173273724.db2.gz QFIOGHIWXULSOJ-ZBFHGGJFSA-N -1 1 292.346 1.826 20 0 CDADMM C[C@H]1CC[C@@H](C(=O)OCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001590227221 1173304150 /nfs/dbraw/zinc/30/41/50/1173304150.db2.gz XSIHPSOGYLBDAM-JGVFFNPUSA-N -1 1 293.352 1.803 20 0 CDADMM C[C@H]1CC[C@@H](C(=O)OCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001590227221 1173304154 /nfs/dbraw/zinc/30/41/54/1173304154.db2.gz XSIHPSOGYLBDAM-JGVFFNPUSA-N -1 1 293.352 1.803 20 0 CDADMM C[C@@H]1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001590239850 1173310777 /nfs/dbraw/zinc/31/07/77/1173310777.db2.gz ORVCARBORGQEIF-YGRLFVJLSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@@H]1CC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001590239850 1173310781 /nfs/dbraw/zinc/31/07/81/1173310781.db2.gz ORVCARBORGQEIF-YGRLFVJLSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@H]1CCCC[C@H]1CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001590250033 1173319425 /nfs/dbraw/zinc/31/94/25/1173319425.db2.gz DMXOBEIYISFREI-IUCAKERBSA-N -1 1 289.343 1.502 20 0 CDADMM C[C@H]1CCCCCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590256069 1173324174 /nfs/dbraw/zinc/32/41/74/1173324174.db2.gz ZUDGOLSMQVOLOF-VIFPVBQESA-N -1 1 275.312 1.864 20 0 CDADMM C[C@H]1CCCCCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590256069 1173324182 /nfs/dbraw/zinc/32/41/82/1173324182.db2.gz ZUDGOLSMQVOLOF-VIFPVBQESA-N -1 1 275.312 1.864 20 0 CDADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)[C@H]2CCCC[C@@H]12 ZINC001590316649 1173351043 /nfs/dbraw/zinc/35/10/43/1173351043.db2.gz PBZWGGQJBYIZFL-SCVCMEIPSA-N -1 1 285.355 1.672 20 0 CDADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)[C@H]2CCCC[C@@H]12 ZINC001590316649 1173351051 /nfs/dbraw/zinc/35/10/51/1173351051.db2.gz PBZWGGQJBYIZFL-SCVCMEIPSA-N -1 1 285.355 1.672 20 0 CDADMM CC[C@@H](C)[C@](C)(O)CNc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001590395551 1173385009 /nfs/dbraw/zinc/38/50/09/1173385009.db2.gz AMCZUVPXCFYMCQ-YMTOWFKASA-N -1 1 290.371 1.779 20 0 CDADMM CC[C@@H](C)[C@](C)(O)CNc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001590395551 1173385016 /nfs/dbraw/zinc/38/50/16/1173385016.db2.gz AMCZUVPXCFYMCQ-YMTOWFKASA-N -1 1 290.371 1.779 20 0 CDADMM CC[C@H](Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1)OC ZINC001590452332 1173415435 /nfs/dbraw/zinc/41/54/35/1173415435.db2.gz QQYCFKOYXXPDKG-LLVKDONJSA-N -1 1 299.338 1.550 20 0 CDADMM CC[C@@H](F)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001590455529 1173417078 /nfs/dbraw/zinc/41/70/78/1173417078.db2.gz BDKMFHYXOFVISA-MRVPVSSYSA-N -1 1 265.248 1.053 20 0 CDADMM CC[C@@H](F)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001590455529 1173417086 /nfs/dbraw/zinc/41/70/86/1173417086.db2.gz BDKMFHYXOFVISA-MRVPVSSYSA-N -1 1 265.248 1.053 20 0 CDADMM CC[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001590505305 1173440103 /nfs/dbraw/zinc/44/01/03/1173440103.db2.gz OWTWXMBQAHHCIS-RKDXNWHRSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001590505305 1173440105 /nfs/dbraw/zinc/44/01/05/1173440105.db2.gz OWTWXMBQAHHCIS-RKDXNWHRSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@H]1CCC[C@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590508342 1173443298 /nfs/dbraw/zinc/44/32/98/1173443298.db2.gz MXAMIKUUVYFRGH-GXSJLCMTSA-N -1 1 258.329 1.674 20 0 CDADMM CC[C@H]1CCC[C@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590508342 1173443313 /nfs/dbraw/zinc/44/33/13/1173443313.db2.gz MXAMIKUUVYFRGH-GXSJLCMTSA-N -1 1 258.329 1.674 20 0 CDADMM CC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)[C@@H](CC)CO1 ZINC001590519519 1173447164 /nfs/dbraw/zinc/44/71/64/1173447164.db2.gz AKNRXYUXERYMNC-VHSXEESVSA-N -1 1 289.343 1.051 20 0 CDADMM CC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)[C@@H](CC)CO1 ZINC001590519519 1173447167 /nfs/dbraw/zinc/44/71/67/1173447167.db2.gz AKNRXYUXERYMNC-VHSXEESVSA-N -1 1 289.343 1.051 20 0 CDADMM CCC[C@H](C)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590553706 1173459990 /nfs/dbraw/zinc/45/99/90/1173459990.db2.gz REPIJTOOCLCLKV-QMMMGPOBSA-N -1 1 260.301 1.180 20 0 CDADMM CCC[C@H](C)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590553706 1173459996 /nfs/dbraw/zinc/45/99/96/1173459996.db2.gz REPIJTOOCLCLKV-QMMMGPOBSA-N -1 1 260.301 1.180 20 0 CDADMM CCCC1(C(=O)OCc2cccnc2-c2nnn[n-]2)CC1 ZINC001590564411 1173465571 /nfs/dbraw/zinc/46/55/71/1173465571.db2.gz ZLRMLMGXXZXUDM-UHFFFAOYSA-N -1 1 287.323 1.885 20 0 CDADMM CCCC1(C(=O)OCc2cccnc2-c2nn[n-]n2)CC1 ZINC001590564411 1173465576 /nfs/dbraw/zinc/46/55/76/1173465576.db2.gz ZLRMLMGXXZXUDM-UHFFFAOYSA-N -1 1 287.323 1.885 20 0 CDADMM CCN(CC(F)(F)F)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590682066 1173490586 /nfs/dbraw/zinc/49/05/86/1173490586.db2.gz DKKIMTNJICQHLN-UHFFFAOYSA-N -1 1 289.217 1.484 20 0 CDADMM CCN(CC(F)(F)F)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590682066 1173490587 /nfs/dbraw/zinc/49/05/87/1173490587.db2.gz DKKIMTNJICQHLN-UHFFFAOYSA-N -1 1 289.217 1.484 20 0 CDADMM CCOc1ccc(COc2cnc(-c3nn[n-]n3)nc2)nc1 ZINC001590835855 1173525333 /nfs/dbraw/zinc/52/53/33/1173525333.db2.gz IDRFNFLQHRCYLW-UHFFFAOYSA-N -1 1 299.294 1.029 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCC[C@H]2C)n1 ZINC001590907523 1173541958 /nfs/dbraw/zinc/54/19/58/1173541958.db2.gz LYGFFUXVXGJFOD-SECBINFHSA-N -1 1 273.344 1.598 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCC[C@H]2C)n1 ZINC001590907523 1173541963 /nfs/dbraw/zinc/54/19/63/1173541963.db2.gz LYGFFUXVXGJFOD-SECBINFHSA-N -1 1 273.344 1.598 20 0 CDADMM CCc1nc(N[C@@H]2CC[C@@H](OC)C2)cc(-c2nnn[n-]2)n1 ZINC001590917457 1173545104 /nfs/dbraw/zinc/54/51/04/1173545104.db2.gz QEBINURCJQROIT-RKDXNWHRSA-N -1 1 289.343 1.199 20 0 CDADMM CCc1nc(N[C@@H]2CC[C@@H](OC)C2)cc(-c2nn[n-]n2)n1 ZINC001590917457 1173545107 /nfs/dbraw/zinc/54/51/07/1173545107.db2.gz QEBINURCJQROIT-RKDXNWHRSA-N -1 1 289.343 1.199 20 0 CDADMM CCn1cc(CN(C)c2cc(C)cc(-c3nnn[n-]3)n2)cn1 ZINC001590952982 1173549402 /nfs/dbraw/zinc/54/94/02/1173549402.db2.gz KJQXLKOTFJVSIM-UHFFFAOYSA-N -1 1 298.354 1.423 20 0 CDADMM CCn1cc(CN(C)c2cc(C)cc(-c3nn[n-]n3)n2)cn1 ZINC001590952982 1173549408 /nfs/dbraw/zinc/54/94/08/1173549408.db2.gz KJQXLKOTFJVSIM-UHFFFAOYSA-N -1 1 298.354 1.423 20 0 CDADMM CN(C[C@H]1CC1(C)C)c1cc(-c2nnn[n-]2)ncn1 ZINC001591053969 1173564866 /nfs/dbraw/zinc/56/48/66/1173564866.db2.gz YMVHOFMSVBQBTQ-MRVPVSSYSA-N -1 1 259.317 1.139 20 0 CDADMM CN(C[C@H]1CC1(C)C)c1cc(-c2nn[n-]n2)ncn1 ZINC001591053969 1173564869 /nfs/dbraw/zinc/56/48/69/1173564869.db2.gz YMVHOFMSVBQBTQ-MRVPVSSYSA-N -1 1 259.317 1.139 20 0 CDADMM CN(Cc1nc(-c2nnn[n-]2)cs1)CC(F)F ZINC001591151666 1173582091 /nfs/dbraw/zinc/58/20/91/1173582091.db2.gz BJIPLYJVGWRCMA-UHFFFAOYSA-N -1 1 260.273 1.020 20 0 CDADMM CN(Cc1nc(-c2nn[n-]n2)cs1)CC(F)F ZINC001591151666 1173582095 /nfs/dbraw/zinc/58/20/95/1173582095.db2.gz BJIPLYJVGWRCMA-UHFFFAOYSA-N -1 1 260.273 1.020 20 0 CDADMM CO[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001591328559 1173613145 /nfs/dbraw/zinc/61/31/45/1173613145.db2.gz BGFLDDDTFTXLTN-QMMMGPOBSA-N -1 1 293.352 1.083 20 0 CDADMM CO[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001591328559 1173613150 /nfs/dbraw/zinc/61/31/50/1173613150.db2.gz BGFLDDDTFTXLTN-QMMMGPOBSA-N -1 1 293.352 1.083 20 0 CDADMM CO[C@@H](CC(C)C)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591327426 1173613697 /nfs/dbraw/zinc/61/36/97/1173613697.db2.gz PZENXGJRASYYAQ-JTQLQIEISA-N -1 1 290.327 1.261 20 0 CDADMM CO[C@@H](CC(C)C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591327426 1173613700 /nfs/dbraw/zinc/61/37/00/1173613700.db2.gz PZENXGJRASYYAQ-JTQLQIEISA-N -1 1 290.327 1.261 20 0 CDADMM CO[C@H]1CC[C@H](C)N(c2cc(C)nc(-c3nnn[n-]3)c2)C1 ZINC001591348527 1173621963 /nfs/dbraw/zinc/62/19/63/1173621963.db2.gz VDQNPGQOQDJEJW-JQWIXIFHSA-N -1 1 288.355 1.574 20 0 CDADMM CO[C@H]1CC[C@H](C)N(c2cc(C)nc(-c3nn[n-]n3)c2)C1 ZINC001591348527 1173621965 /nfs/dbraw/zinc/62/19/65/1173621965.db2.gz VDQNPGQOQDJEJW-JQWIXIFHSA-N -1 1 288.355 1.574 20 0 CDADMM CO[C@@H]1C[C@@H](Nc2cc(C)nc(-c3nnn[n-]3)c2)C1(C)C ZINC001591350524 1173623761 /nfs/dbraw/zinc/62/37/61/1173623761.db2.gz SIULMUKVXGAIIE-VXGBXAGGSA-N -1 1 288.355 1.217 20 0 CDADMM CO[C@@H]1C[C@@H](Nc2cc(C)nc(-c3nn[n-]n3)c2)C1(C)C ZINC001591350524 1173623764 /nfs/dbraw/zinc/62/37/64/1173623764.db2.gz SIULMUKVXGAIIE-VXGBXAGGSA-N -1 1 288.355 1.217 20 0 CDADMM CO[C@H]1CC[C@H](OC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001591352272 1173625722 /nfs/dbraw/zinc/62/57/22/1173625722.db2.gz WDOYUYWWURWUBD-IUCAKERBSA-N -1 1 278.268 1.184 20 0 CDADMM CO[C@H]1CC[C@H](OC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001591352272 1173625724 /nfs/dbraw/zinc/62/57/24/1173625724.db2.gz WDOYUYWWURWUBD-IUCAKERBSA-N -1 1 278.268 1.184 20 0 CDADMM CO[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001591357855 1173629043 /nfs/dbraw/zinc/62/90/43/1173629043.db2.gz JBUVFFOEVHKHCO-BXKDBHETSA-N -1 1 274.328 1.123 20 0 CDADMM CO[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001591357855 1173629047 /nfs/dbraw/zinc/62/90/47/1173629047.db2.gz JBUVFFOEVHKHCO-BXKDBHETSA-N -1 1 274.328 1.123 20 0 CDADMM COC[C@H](OC(=O)c1csc(-c2nnn[n-]2)c1)C(C)C ZINC001591381375 1173639268 /nfs/dbraw/zinc/63/92/68/1173639268.db2.gz VLYOTGLXDCQVTD-VIFPVBQESA-N -1 1 296.352 1.756 20 0 CDADMM COC[C@H](OC(=O)c1csc(-c2nn[n-]n2)c1)C(C)C ZINC001591381375 1173639271 /nfs/dbraw/zinc/63/92/71/1173639271.db2.gz VLYOTGLXDCQVTD-VIFPVBQESA-N -1 1 296.352 1.756 20 0 CDADMM COC[C@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)C(C)C ZINC001591381062 1173639818 /nfs/dbraw/zinc/63/98/18/1173639818.db2.gz SWGQFUSUIPJMGB-NSHDSACASA-N -1 1 291.311 1.090 20 0 CDADMM COC[C@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)C(C)C ZINC001591381062 1173639824 /nfs/dbraw/zinc/63/98/24/1173639824.db2.gz SWGQFUSUIPJMGB-NSHDSACASA-N -1 1 291.311 1.090 20 0 CDADMM COCCCCN(C)c1cccc(-c2nnn[n-]2)n1 ZINC001591411616 1173650569 /nfs/dbraw/zinc/65/05/69/1173650569.db2.gz SLXPWHZDZIAEHK-UHFFFAOYSA-N -1 1 262.317 1.125 20 0 CDADMM COCCCCN(C)c1cccc(-c2nn[n-]n2)n1 ZINC001591411616 1173650572 /nfs/dbraw/zinc/65/05/72/1173650572.db2.gz SLXPWHZDZIAEHK-UHFFFAOYSA-N -1 1 262.317 1.125 20 0 CDADMM COCCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591422189 1173651446 /nfs/dbraw/zinc/65/14/46/1173651446.db2.gz ZVYZJBFVKWTUBI-UHFFFAOYSA-N -1 1 274.737 1.059 20 0 CDADMM CO[C@H]1C[C@@H](COC(=O)c2csc(-c3nnn[n-]3)c2)C1 ZINC001591472911 1173657937 /nfs/dbraw/zinc/65/79/37/1173657937.db2.gz LLSSSTGCNLBREL-OTSSQURYSA-N -1 1 294.336 1.510 20 0 CDADMM CO[C@H]1C[C@@H](COC(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001591472911 1173657939 /nfs/dbraw/zinc/65/79/39/1173657939.db2.gz LLSSSTGCNLBREL-OTSSQURYSA-N -1 1 294.336 1.510 20 0 CDADMM COc1ccc(Nc2cc(-c3nnn[n-]3)ncn2)c(OC)c1 ZINC001591617238 1173674210 /nfs/dbraw/zinc/67/42/10/1173674210.db2.gz DEJZKVZTFKXGES-UHFFFAOYSA-N -1 1 299.294 1.418 20 0 CDADMM COc1ccc(Nc2cc(-c3nn[n-]n3)ncn2)c(OC)c1 ZINC001591617238 1173674216 /nfs/dbraw/zinc/67/42/16/1173674216.db2.gz DEJZKVZTFKXGES-UHFFFAOYSA-N -1 1 299.294 1.418 20 0 CDADMM C[C@@H]1C[C@H]1NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001591753226 1173696140 /nfs/dbraw/zinc/69/61/40/1173696140.db2.gz JYIUPIUFOFTXAK-GMSGAONNSA-N -1 1 282.307 1.486 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)n1 ZINC001591883903 1173735045 /nfs/dbraw/zinc/73/50/45/1173735045.db2.gz LDXLTHVIZMBJRY-XHVZSJERSA-N -1 1 299.382 1.980 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)n1 ZINC001591883903 1173735053 /nfs/dbraw/zinc/73/50/53/1173735053.db2.gz LDXLTHVIZMBJRY-XHVZSJERSA-N -1 1 299.382 1.980 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2C[C@@]2(C)C(C)C)n1 ZINC001591892921 1173741819 /nfs/dbraw/zinc/74/18/19/1173741819.db2.gz ULWNWGQSNMREGC-MFKMUULPSA-N -1 1 273.344 1.812 20 0 CDADMM Cc1cc(C)nc(NC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001591957891 1173751721 /nfs/dbraw/zinc/75/17/21/1173751721.db2.gz OZBFAAODJMYRHC-UHFFFAOYSA-N -1 1 295.306 1.526 20 0 CDADMM Cc1cc(C)nc(NC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001591957891 1173751728 /nfs/dbraw/zinc/75/17/28/1173751728.db2.gz OZBFAAODJMYRHC-UHFFFAOYSA-N -1 1 295.306 1.526 20 0 CDADMM Cc1cc(N2CC[C@]3(CC3(F)F)C2)cc(-c2nnn[n-]2)n1 ZINC001592003740 1173770367 /nfs/dbraw/zinc/77/03/67/1173770367.db2.gz ILXQBBWUXIGZJH-LBPRGKRZSA-N -1 1 292.293 1.806 20 0 CDADMM Cc1cc(N2CC[C@]3(CC3(F)F)C2)cc(-c2nn[n-]n2)n1 ZINC001592003740 1173770373 /nfs/dbraw/zinc/77/03/73/1173770373.db2.gz ILXQBBWUXIGZJH-LBPRGKRZSA-N -1 1 292.293 1.806 20 0 CDADMM Cc1cc(N[C@@H]2C[C@@H](O)C23CCC3)nc(-c2nnn[n-]2)c1 ZINC001592036174 1173780038 /nfs/dbraw/zinc/78/00/38/1173780038.db2.gz GKVRFUYWNUVDIS-GHMZBOCLSA-N -1 1 286.339 1.286 20 0 CDADMM Cc1cc(N[C@@H]2C[C@@H](O)C23CCC3)nc(-c2nn[n-]n2)c1 ZINC001592036174 1173780043 /nfs/dbraw/zinc/78/00/43/1173780043.db2.gz GKVRFUYWNUVDIS-GHMZBOCLSA-N -1 1 286.339 1.286 20 0 CDADMM Cc1cc(N[C@H]2CCCC[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592037098 1173781794 /nfs/dbraw/zinc/78/17/94/1173781794.db2.gz JSFZCYLVBXJYMU-SKDRFNHKSA-N -1 1 272.356 1.983 20 0 CDADMM Cc1cc(N[C@H]2CCCC[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592037098 1173781800 /nfs/dbraw/zinc/78/18/00/1173781800.db2.gz JSFZCYLVBXJYMU-SKDRFNHKSA-N -1 1 272.356 1.983 20 0 CDADMM Cc1cc(N[C@@H]2COC[C@@H]2C)nc(-c2nnn[n-]2)c1 ZINC001592040328 1173782714 /nfs/dbraw/zinc/78/27/14/1173782714.db2.gz WCVAGGPRAXJERJ-WCBMZHEXSA-N -1 1 260.301 1.017 20 0 CDADMM Cc1cc(N[C@@H]2COC[C@@H]2C)nc(-c2nn[n-]n2)c1 ZINC001592040328 1173782718 /nfs/dbraw/zinc/78/27/18/1173782718.db2.gz WCVAGGPRAXJERJ-WCBMZHEXSA-N -1 1 260.301 1.017 20 0 CDADMM Cc1ccc([C@@H](O)COc2cccnc2-c2nnn[n-]2)cc1 ZINC001592137228 1173811722 /nfs/dbraw/zinc/81/17/22/1173811722.db2.gz FCHIPUMHVHZHRT-LBPRGKRZSA-N -1 1 297.318 1.683 20 0 CDADMM Cc1ccc([C@@H](O)COc2cccnc2-c2nn[n-]n2)cc1 ZINC001592137228 1173811726 /nfs/dbraw/zinc/81/17/26/1173811726.db2.gz FCHIPUMHVHZHRT-LBPRGKRZSA-N -1 1 297.318 1.683 20 0 CDADMM Cc1ccc(N2C[C@@H](C)[C@](C)(CO)C2)c(-c2nnn[n-]2)n1 ZINC001592174383 1173822635 /nfs/dbraw/zinc/82/26/35/1173822635.db2.gz CGTFAHOHVFWHDH-OTYXRUKQSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(N2C[C@@H](C)[C@](C)(CO)C2)c(-c2nn[n-]n2)n1 ZINC001592174383 1173822639 /nfs/dbraw/zinc/82/26/39/1173822639.db2.gz CGTFAHOHVFWHDH-OTYXRUKQSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(N(C)C[C@@H]2CCOC2)nc1-c1nnn[n-]1 ZINC001592174793 1173823701 /nfs/dbraw/zinc/82/37/01/1173823701.db2.gz BMRUNFYJCIKGOL-JTQLQIEISA-N -1 1 274.328 1.043 20 0 CDADMM Cc1ccc(N(C)C[C@@H]2CCOC2)nc1-c1nn[n-]n1 ZINC001592174793 1173823704 /nfs/dbraw/zinc/82/37/04/1173823704.db2.gz BMRUNFYJCIKGOL-JTQLQIEISA-N -1 1 274.328 1.043 20 0 CDADMM Cc1ccc(N2CCC[C@@H](CO)CC2)c(-c2nnn[n-]2)n1 ZINC001592177910 1173826560 /nfs/dbraw/zinc/82/65/60/1173826560.db2.gz OFFFOMSFNRXSKN-LLVKDONJSA-N -1 1 288.355 1.169 20 0 CDADMM Cc1ccc(N2CCC[C@@H](CO)CC2)c(-c2nn[n-]n2)n1 ZINC001592177910 1173826564 /nfs/dbraw/zinc/82/65/64/1173826564.db2.gz OFFFOMSFNRXSKN-LLVKDONJSA-N -1 1 288.355 1.169 20 0 CDADMM Cc1ccc(OC(=O)Cc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001592186292 1173831039 /nfs/dbraw/zinc/83/10/39/1173831039.db2.gz IGSDUURZWUZTDK-UHFFFAOYSA-N -1 1 295.302 1.718 20 0 CDADMM Cc1ccc(OC(=O)Cc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001592186292 1173831047 /nfs/dbraw/zinc/83/10/47/1173831047.db2.gz IGSDUURZWUZTDK-UHFFFAOYSA-N -1 1 295.302 1.718 20 0 CDADMM Cc1ccn([C@H]2CCC(C)(C)C2=O)c(=O)c1-c1nn[n-]n1 ZINC001592265413 1173838308 /nfs/dbraw/zinc/83/83/08/1173838308.db2.gz XHZNSXNOAWYKKQ-VIFPVBQESA-N -1 1 287.323 1.267 20 0 CDADMM Cc1ccsc1CNc1ncncc1-c1nn[n-]n1 ZINC001592283368 1173846767 /nfs/dbraw/zinc/84/67/67/1173846767.db2.gz AOWAZKBHMPXQPQ-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ncc(C)cn1 ZINC001592293548 1173848658 /nfs/dbraw/zinc/84/86/58/1173848658.db2.gz DAKOXSWWTQNERF-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ncc(C)cn1 ZINC001592293548 1173848661 /nfs/dbraw/zinc/84/86/61/1173848661.db2.gz DAKOXSWWTQNERF-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)c1-c1nn[n-]n1 ZINC001592327202 1173855508 /nfs/dbraw/zinc/85/55/08/1173855508.db2.gz FRAOPCZIAQCCSK-ZOQUXTDFSA-N -1 1 287.327 1.129 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@H]2CC3(CCC3)CO2)c1C ZINC001592340689 1173861045 /nfs/dbraw/zinc/86/10/45/1173861045.db2.gz ZVHXRYXWHYIUNL-LLVKDONJSA-N -1 1 288.355 1.639 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@H]2CC3(CCC3)CO2)c1C ZINC001592340689 1173861051 /nfs/dbraw/zinc/86/10/51/1173861051.db2.gz ZVHXRYXWHYIUNL-LLVKDONJSA-N -1 1 288.355 1.639 20 0 CDADMM Cc1nc(N[C@H]2CSC[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592383677 1173876617 /nfs/dbraw/zinc/87/66/17/1173876617.db2.gz FUPPPJUABYPLRK-MUWHJKNJSA-N -1 1 277.357 1.129 20 0 CDADMM Cc1nc(N[C@H]2CSC[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592383677 1173876621 /nfs/dbraw/zinc/87/66/21/1173876621.db2.gz FUPPPJUABYPLRK-MUWHJKNJSA-N -1 1 277.357 1.129 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC(F)F ZINC001592502235 1173907509 /nfs/dbraw/zinc/90/75/09/1173907509.db2.gz QQCOSZYLZRPYJV-UHFFFAOYSA-N -1 1 258.184 1.190 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC(F)F ZINC001592502235 1173907513 /nfs/dbraw/zinc/90/75/13/1173907513.db2.gz QQCOSZYLZRPYJV-UHFFFAOYSA-N -1 1 258.184 1.190 20 0 CDADMM Clc1ncn(Cc2ccnc(-c3nnn[n-]3)c2)c1Cl ZINC001592537957 1173916636 /nfs/dbraw/zinc/91/66/36/1173916636.db2.gz MIOYEXCHLPTPTM-UHFFFAOYSA-N -1 1 296.121 1.813 20 0 CDADMM Clc1ncn(Cc2ccnc(-c3nn[n-]n3)c2)c1Cl ZINC001592537957 1173916644 /nfs/dbraw/zinc/91/66/44/1173916644.db2.gz MIOYEXCHLPTPTM-UHFFFAOYSA-N -1 1 296.121 1.813 20 0 CDADMM Cn1ncc(Nc2cncc(-c3nnn[n-]3)n2)c1C1CC1 ZINC001592602608 1173927757 /nfs/dbraw/zinc/92/77/57/1173927757.db2.gz SRGWHVLMTSVXPG-UHFFFAOYSA-N -1 1 283.299 1.011 20 0 CDADMM Cn1ncc(Nc2cncc(-c3nn[n-]n3)n2)c1C1CC1 ZINC001592602608 1173927761 /nfs/dbraw/zinc/92/77/61/1173927761.db2.gz SRGWHVLMTSVXPG-UHFFFAOYSA-N -1 1 283.299 1.011 20 0 CDADMM FC(F)(F)C1CN(Cc2cccc(-c3nn[n-]n3)n2)C1 ZINC001592615118 1173931292 /nfs/dbraw/zinc/93/12/92/1173931292.db2.gz FFTYDLGKAPMPTR-UHFFFAOYSA-N -1 1 284.245 1.256 20 0 CDADMM FC(F)C(F)(F)CNCc1csc(-c2nn[n-]n2)c1 ZINC001592624294 1173931792 /nfs/dbraw/zinc/93/17/92/1173931792.db2.gz JHUDPDLIDMIWSE-UHFFFAOYSA-N -1 1 295.265 1.918 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C1(C(F)F)CCCC1 ZINC001592754636 1173986107 /nfs/dbraw/zinc/98/61/07/1173986107.db2.gz QAGHWMPNCQPYJL-UHFFFAOYSA-N -1 1 297.269 1.111 20 0 CDADMM O=C(NC1(C(F)(F)F)CC1)c1coc(-c2nnn[n-]2)c1 ZINC001592957099 1174006353 /nfs/dbraw/zinc/00/63/53/1174006353.db2.gz ZOZIRYOLDMQSJE-UHFFFAOYSA-N -1 1 287.201 1.284 20 0 CDADMM O=C(NC1(C(F)(F)F)CC1)c1coc(-c2nn[n-]n2)c1 ZINC001592957099 1174006360 /nfs/dbraw/zinc/00/63/60/1174006360.db2.gz ZOZIRYOLDMQSJE-UHFFFAOYSA-N -1 1 287.201 1.284 20 0 CDADMM O=C(N[C@H]1CC12CCCC2)c1cccc(-c2nnn[n-]2)n1 ZINC001592967042 1174009411 /nfs/dbraw/zinc/00/94/11/1174009411.db2.gz QETQQTOCTBUAOC-NSHDSACASA-N -1 1 284.323 1.324 20 0 CDADMM O=C(N[C@H]1CC12CCCC2)c1cccc(-c2nn[n-]n2)n1 ZINC001592967042 1174009418 /nfs/dbraw/zinc/00/94/18/1174009418.db2.gz QETQQTOCTBUAOC-NSHDSACASA-N -1 1 284.323 1.324 20 0 CDADMM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(-c2nnn[n-]2)nc1 ZINC001592983750 1174012698 /nfs/dbraw/zinc/01/26/98/1174012698.db2.gz YABAZIKOWVPGCN-DVVUODLYSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(-c2nn[n-]n2)nc1 ZINC001592983750 1174012705 /nfs/dbraw/zinc/01/27/05/1174012705.db2.gz YABAZIKOWVPGCN-DVVUODLYSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(Nc1ccc(O)cc1O)c1ccc(-c2nn[n-]n2)o1 ZINC001593235456 1174037325 /nfs/dbraw/zinc/03/73/25/1174037325.db2.gz WLPCQPYAOLFBRO-UHFFFAOYSA-N -1 1 287.235 1.123 20 0 CDADMM O=C(Nc1cccc(C2CC2)n1)c1coc(-c2nnn[n-]2)c1 ZINC001593244840 1174039267 /nfs/dbraw/zinc/03/92/67/1174039267.db2.gz FCBFUGZTQQSYJR-UHFFFAOYSA-N -1 1 296.290 1.984 20 0 CDADMM O=C(Nc1cccc(C2CC2)n1)c1coc(-c2nn[n-]n2)c1 ZINC001593244840 1174039273 /nfs/dbraw/zinc/03/92/73/1174039273.db2.gz FCBFUGZTQQSYJR-UHFFFAOYSA-N -1 1 296.290 1.984 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cnc(C2CC2)o1 ZINC001593245552 1174039589 /nfs/dbraw/zinc/03/95/89/1174039589.db2.gz UNLWZYXVJXMSOK-UHFFFAOYSA-N -1 1 297.278 1.379 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cnc(C2CC2)o1 ZINC001593245552 1174039597 /nfs/dbraw/zinc/03/95/97/1174039597.db2.gz UNLWZYXVJXMSOK-UHFFFAOYSA-N -1 1 297.278 1.379 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001593244655 1174041026 /nfs/dbraw/zinc/04/10/26/1174041026.db2.gz WNDXBHWHGOAVDZ-LPEHRKFASA-N -1 1 299.338 1.572 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001593244655 1174041033 /nfs/dbraw/zinc/04/10/33/1174041033.db2.gz WNDXBHWHGOAVDZ-LPEHRKFASA-N -1 1 299.338 1.572 20 0 CDADMM O=C(Nc1cnc2ccccn21)c1ccc(-c2nn[n-]n2)o1 ZINC001593258673 1174043302 /nfs/dbraw/zinc/04/33/02/1174043302.db2.gz OYMLJKYYPNYAGX-UHFFFAOYSA-N -1 1 295.262 1.360 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@@H]1CC=CCC1 ZINC001593301776 1174060510 /nfs/dbraw/zinc/06/05/10/1174060510.db2.gz PDVWLMAULOIVQE-SNVBAGLBSA-N -1 1 285.307 1.661 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@@H]1CC=CCC1 ZINC001593301776 1174060513 /nfs/dbraw/zinc/06/05/13/1174060513.db2.gz PDVWLMAULOIVQE-SNVBAGLBSA-N -1 1 285.307 1.661 20 0 CDADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@@H](F)C1 ZINC001593349751 1174067394 /nfs/dbraw/zinc/06/73/94/1174067394.db2.gz FEAWQWLXSMOWQG-SSDOTTSWSA-N -1 1 279.250 1.190 20 0 CDADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@@H](F)C1 ZINC001593349751 1174067398 /nfs/dbraw/zinc/06/73/98/1174067398.db2.gz FEAWQWLXSMOWQG-SSDOTTSWSA-N -1 1 279.250 1.190 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC=C(Cl)C1 ZINC001593340951 1174067712 /nfs/dbraw/zinc/06/77/12/1174067712.db2.gz QDUQOHXCTVODTJ-UHFFFAOYSA-N -1 1 279.687 1.428 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC=C(Cl)C1 ZINC001593340951 1174067717 /nfs/dbraw/zinc/06/77/17/1174067717.db2.gz QDUQOHXCTVODTJ-UHFFFAOYSA-N -1 1 279.687 1.428 20 0 CDADMM O=c1cc(C2CCC2)ncn1Cc1ccc(-c2nnn[n-]2)o1 ZINC001593495561 1174087459 /nfs/dbraw/zinc/08/74/59/1174087459.db2.gz IVJHMTBLKVUCIP-UHFFFAOYSA-N -1 1 298.306 1.332 20 0 CDADMM O=c1cc(C2CCC2)ncn1Cc1ccc(-c2nn[n-]n2)o1 ZINC001593495561 1174087467 /nfs/dbraw/zinc/08/74/67/1174087467.db2.gz IVJHMTBLKVUCIP-UHFFFAOYSA-N -1 1 298.306 1.332 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1C[C@@H]1CCCCC1(F)F ZINC001593492394 1174087749 /nfs/dbraw/zinc/08/77/49/1174087749.db2.gz IZCJUJBKZABDRJ-VIFPVBQESA-N -1 1 295.293 1.854 20 0 CDADMM c1cc([C@@H]2CCCN2c2ccnc(-c3nnn[n-]3)c2)ccn1 ZINC001593552461 1174126413 /nfs/dbraw/zinc/12/64/13/1174126413.db2.gz YAFGEZFZIQCBOU-AWEZNQCLSA-N -1 1 293.334 1.998 20 0 CDADMM c1cc([C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)c2)ccn1 ZINC001593552461 1174126417 /nfs/dbraw/zinc/12/64/17/1174126417.db2.gz YAFGEZFZIQCBOU-AWEZNQCLSA-N -1 1 293.334 1.998 20 0 CDADMM c1cc([C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)ccn1 ZINC001593553659 1174126918 /nfs/dbraw/zinc/12/69/18/1174126918.db2.gz KXZSMUJEWJLDIK-LLVKDONJSA-N -1 1 294.322 1.046 20 0 CDADMM c1cc(NC[C@@H]2C[C@H]3CCC[C@H]3O2)cc(-c2nnn[n-]2)n1 ZINC001593557983 1174132510 /nfs/dbraw/zinc/13/25/10/1174132510.db2.gz FIXIPKLRCLZHJG-SUZMYJTESA-N -1 1 286.339 1.053 20 0 CDADMM c1cc(NC[C@@H]2C[C@H]3CCC[C@H]3O2)cc(-c2nn[n-]n2)n1 ZINC001593557983 1174132512 /nfs/dbraw/zinc/13/25/12/1174132512.db2.gz FIXIPKLRCLZHJG-SUZMYJTESA-N -1 1 286.339 1.053 20 0 CDADMM c1cc(N2CC[C@H]3CCCC[C@@H]3C2)nc(-c2nn[n-]n2)n1 ZINC001593558827 1174132619 /nfs/dbraw/zinc/13/26/19/1174132619.db2.gz HPGBASWHLHFEOU-GHMZBOCLSA-N -1 1 285.355 1.673 20 0 CDADMM c1cc(NC[C@@H]2C[C@H]2C2CC2)nc(-c2nnn[n-]2)c1 ZINC001593560947 1174136655 /nfs/dbraw/zinc/13/66/55/1174136655.db2.gz OLCGHTGYMXASOX-UWVGGRQHSA-N -1 1 256.313 1.720 20 0 CDADMM c1cc(NC[C@@H]2C[C@H]2C2CC2)nc(-c2nn[n-]n2)c1 ZINC001593560947 1174136662 /nfs/dbraw/zinc/13/66/62/1174136662.db2.gz OLCGHTGYMXASOX-UWVGGRQHSA-N -1 1 256.313 1.720 20 0 CDADMM c1ccc2c(c1)CC[C@@H](Nc1cncc(-c3nnn[n-]3)n1)C2 ZINC001593581766 1174147929 /nfs/dbraw/zinc/14/79/29/1174147929.db2.gz VEAUZTBAJKXYHA-GFCCVEGCSA-N -1 1 293.334 1.626 20 0 CDADMM c1ccc2c(c1)CC[C@@H](Nc1cncc(-c3nn[n-]n3)n1)C2 ZINC001593581766 1174147934 /nfs/dbraw/zinc/14/79/34/1174147934.db2.gz VEAUZTBAJKXYHA-GFCCVEGCSA-N -1 1 293.334 1.626 20 0 CDADMM c1cn(CCSCc2ccc(-c3nnn[n-]3)o2)cn1 ZINC001593582866 1174148569 /nfs/dbraw/zinc/14/85/69/1174148569.db2.gz CCFBLAXFANZACT-UHFFFAOYSA-N -1 1 276.325 1.590 20 0 CDADMM c1cn(CCSCc2ccc(-c3nn[n-]n3)o2)cn1 ZINC001593582866 1174148576 /nfs/dbraw/zinc/14/85/76/1174148576.db2.gz CCFBLAXFANZACT-UHFFFAOYSA-N -1 1 276.325 1.590 20 0 CDADMM C[C@@H](OC(=O)c1ccc(O)c(Cl)c1)C(=O)C(=O)[O-] ZINC001593583873 1174150432 /nfs/dbraw/zinc/15/04/32/1174150432.db2.gz CSOPZCFLXXEYLE-RXMQYKEDSA-N -1 1 272.640 1.245 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(SCc2ccncc2)c1 ZINC001593585691 1174152744 /nfs/dbraw/zinc/15/27/44/1174152744.db2.gz ZMYVLEZHWNLBAQ-UHFFFAOYSA-N -1 1 270.321 1.949 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(SCc2ccncc2)c1 ZINC001593585691 1174152749 /nfs/dbraw/zinc/15/27/49/1174152749.db2.gz ZMYVLEZHWNLBAQ-UHFFFAOYSA-N -1 1 270.321 1.949 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1SC[C@@H]1C[C@H]2C[C@H]2C1 ZINC001593590347 1174158352 /nfs/dbraw/zinc/15/83/52/1174158352.db2.gz OVDPOGHLOBKEDM-AYMMMOKOSA-N -1 1 274.353 1.795 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1SC[C@@H]1C[C@H]2C[C@H]2C1 ZINC001593590347 1174158355 /nfs/dbraw/zinc/15/83/55/1174158355.db2.gz OVDPOGHLOBKEDM-AYMMMOKOSA-N -1 1 274.353 1.795 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NC[C@H]2C[C@H]2C2CCCC2)n1 ZINC001593595147 1174165173 /nfs/dbraw/zinc/16/51/73/1174165173.db2.gz OGXPSSBJBDMCHY-MNOVXSKESA-N -1 1 285.355 1.895 20 0 CDADMM Cc1cc(CC(=O)OCc2csc(C(=O)[O-])c2)n[nH]1 ZINC001600187159 1174392571 /nfs/dbraw/zinc/39/25/71/1174392571.db2.gz PEELBTIVIGTGQY-UHFFFAOYSA-N -1 1 280.305 1.764 20 0 CDADMM Cc1cc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)oc1C(=O)[O-] ZINC001600193736 1174400180 /nfs/dbraw/zinc/40/01/80/1174400180.db2.gz XRPZMNOMXYEFKN-JGRMJRGVSA-N -1 1 297.376 1.772 20 0 CDADMM Cc1cc(CNCc2cccc(N(C)C)n2)[nH]c1C(=O)[O-] ZINC001600209516 1174409509 /nfs/dbraw/zinc/40/95/09/1174409509.db2.gz MWZFLYJDQSLSHF-UHFFFAOYSA-N -1 1 288.351 1.772 20 0 CDADMM Cc1cc(N)nc(N2CCC(CC(=O)[O-])CC2)n1 ZINC001600236583 1174419159 /nfs/dbraw/zinc/41/91/59/1174419159.db2.gz ARKXVSCAUXFLTB-UHFFFAOYSA-N -1 1 250.302 1.058 20 0 CDADMM Cc1nocc1CN[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC001600816502 1174627396 /nfs/dbraw/zinc/62/73/96/1174627396.db2.gz FLDLAMZXGYMWKA-AWEZNQCLSA-N -1 1 275.308 1.858 20 0 CDADMM Cc1oc(C(=O)[O-])cc1CN1CCC2=C(CCC(=O)N2)C1 ZINC001600827914 1174632650 /nfs/dbraw/zinc/63/26/50/1174632650.db2.gz NPTYMQZVIDZZEB-UHFFFAOYSA-N -1 1 290.319 1.656 20 0 CDADMM NC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC001601157176 1174765442 /nfs/dbraw/zinc/76/54/42/1174765442.db2.gz GJJWFNLRAQMGEN-WDEREUQCSA-N -1 1 297.742 1.208 20 0 CDADMM Nc1nc2c(c(NCc3nc(C(=O)[O-])co3)n1)CCCC2 ZINC001601220151 1174796768 /nfs/dbraw/zinc/79/67/68/1174796768.db2.gz RSMMRTFSKCYXRC-UHFFFAOYSA-N -1 1 289.295 1.236 20 0 CDADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)[C@H]1C[C@H]1C1CCCC1 ZINC001601568496 1174901342 /nfs/dbraw/zinc/90/13/42/1174901342.db2.gz VIIMWGCOWIDLDK-RWMBFGLXSA-N -1 1 291.351 1.348 20 0 CDADMM O=C([O-])[C@H](Cc1ccc(F)cc1)NC(=O)c1[nH]ncc1F ZINC001601565564 1174901962 /nfs/dbraw/zinc/90/19/62/1174901962.db2.gz BAVSXRAYXREFOV-JTQLQIEISA-N -1 1 295.245 1.114 20 0 CDADMM O=C([O-])[C@H](CC(F)F)NCc1ncc(Cl)s1 ZINC001601639575 1174921361 /nfs/dbraw/zinc/92/13/61/1174921361.db2.gz WSDBSQGIOURTOS-BYPYZUCNSA-N -1 1 270.688 1.995 20 0 CDADMM O=C([O-])[C@@H](CF)NCc1cccc2[nH]c(=O)oc21 ZINC001601652448 1174931354 /nfs/dbraw/zinc/93/13/54/1174931354.db2.gz YVEJHPGCZHOTOL-MRVPVSSYSA-N -1 1 254.217 1.046 20 0 CDADMM O=C([O-])C1=CC[C@H](NC(=O)c2cc3[nH]cnc3cc2F)C1 ZINC001601734386 1174973885 /nfs/dbraw/zinc/97/38/85/1174973885.db2.gz CGBLVKFYBZZOAH-QMMMGPOBSA-N -1 1 289.266 1.605 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)CN1CCSC1CCCCC1 ZINC001601774423 1175000265 /nfs/dbraw/zinc/00/02/65/1175000265.db2.gz YIGLNAZVAXJJET-PWSUYJOCSA-N -1 1 273.398 1.572 20 0 CDADMM O=C([O-])C[C@]1(NCc2cc(F)ncc2F)CCCOC1 ZINC001601936106 1175073614 /nfs/dbraw/zinc/07/36/14/1175073614.db2.gz KNHWAXDKOBMKSJ-CYBMUJFWSA-N -1 1 286.278 1.473 20 0 CDADMM O=C([O-])Cc1c[nH]n(Cc2cnc3ccccc3c2)c1=O ZINC001601942385 1175076762 /nfs/dbraw/zinc/07/67/62/1175076762.db2.gz ZREACAGXWJMBNY-GFCCVEGCSA-N -1 1 283.287 1.654 20 0 CDADMM O=C([O-])Cc1c[nH]n(Cc2ccc(F)cc2F)c1=O ZINC001601941878 1175077178 /nfs/dbraw/zinc/07/71/78/1175077178.db2.gz VHSIKQIHEIUVEH-MRVPVSSYSA-N -1 1 268.219 1.384 20 0 CDADMM O=C([O-])C[N@H+](Cc1csc(C(=O)[O-])c1)CC1CC1 ZINC001602060373 1175122746 /nfs/dbraw/zinc/12/27/46/1175122746.db2.gz RALFSINAMSVAPY-UHFFFAOYSA-N -1 1 269.322 1.743 20 0 CDADMM O=C([O-])Cc1ccc(CNC(=O)C(F)(F)F)cc1 ZINC001602118703 1175135019 /nfs/dbraw/zinc/13/50/19/1175135019.db2.gz MCDDBMPDMLUPMG-UHFFFAOYSA-N -1 1 261.199 1.492 20 0 CDADMM O=C([O-])Cc1cccc(NC(=O)c2cccc(F)c2O)n1 ZINC001602140603 1175139921 /nfs/dbraw/zinc/13/99/21/1175139921.db2.gz UVCOKEFLOZVTLT-UHFFFAOYSA-N -1 1 290.250 1.806 20 0 CDADMM O=C([O-])[C@@H]1CN(Cc2ncccn2)C[C@H]1c1ccc(O)cc1 ZINC001602190376 1175155945 /nfs/dbraw/zinc/15/59/45/1175155945.db2.gz LMFRVJOMZPZFKA-UONOGXRCSA-N -1 1 299.330 1.482 20 0 CDADMM O=C([O-])[C@@H]1OCC[C@@H]1NCc1nc2ccc(F)cc2s1 ZINC001602202798 1175161149 /nfs/dbraw/zinc/16/11/49/1175161149.db2.gz HMPZEXXELBRQPL-JOYOIKCWSA-N -1 1 296.323 1.767 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](C(=O)OCc2nc[nH]c2C(F)(F)F)C1 ZINC001602217361 1175170882 /nfs/dbraw/zinc/17/08/82/1175170882.db2.gz XSNXOAIWXUUUEW-OLQVQODUSA-N -1 1 292.213 1.583 20 0 CDADMM O=C([O-])c1cc(C2CN(Cc3ccc4c(c3)CCO4)C2)[nH]n1 ZINC001602254794 1175182175 /nfs/dbraw/zinc/18/21/75/1175182175.db2.gz POHHZYLLHVMUHA-UHFFFAOYSA-N -1 1 299.330 1.642 20 0 CDADMM O=C([O-])c1cc(-n2[nH]c([C@@H]3CCOC3)cc2=O)ccc1F ZINC001602278301 1175191775 /nfs/dbraw/zinc/19/17/75/1175191775.db2.gz BKELPPPKRIVKIP-MRVPVSSYSA-N -1 1 292.266 1.653 20 0 CDADMM O=C([O-])c1ccc(CN2CC[C@@H](Oc3ccncc3)C2)nc1 ZINC001602339394 1175213938 /nfs/dbraw/zinc/21/39/38/1175213938.db2.gz LEWIGZGXGGBFMT-OAHLLOKOSA-N -1 1 299.330 1.828 20 0 CDADMM O=C([O-])c1cnc(CNC[C@@H](CO)Cc2ccco2)s1 ZINC001602520916 1175269084 /nfs/dbraw/zinc/26/90/84/1175269084.db2.gz DHBHOIUMGGCLME-VIFPVBQESA-N -1 1 296.348 1.375 20 0 CDADMM O=C([O-])c1coc(CNc2nc(Cl)nc3[nH]cnc32)n1 ZINC001602557380 1175295765 /nfs/dbraw/zinc/29/57/65/1175295765.db2.gz RRHNXGVAYAJEEM-UHFFFAOYSA-N -1 1 294.658 1.256 20 0 CDADMM CC(=O)NCCN(C)Cc1ccc(F)cc1C(=O)[O-] ZINC001603047761 1175481762 /nfs/dbraw/zinc/48/17/62/1175481762.db2.gz PIRADNVJBYUBDL-UHFFFAOYSA-N -1 1 268.288 1.092 20 0 CDADMM CC(C)(C(=O)[O-])n1cc(NC(=O)c2ccc(CN)o2)cn1 ZINC001603286882 1175532869 /nfs/dbraw/zinc/53/28/69/1175532869.db2.gz UXTNJUBTIXCGAT-UHFFFAOYSA-N -1 1 292.295 1.007 20 0 CDADMM CC(C)CSCCCn1cc(-c2nn[n-]n2)nn1 ZINC001603304269 1175535645 /nfs/dbraw/zinc/53/56/45/1175535645.db2.gz MWFUFDDHILLWCI-UHFFFAOYSA-N -1 1 267.362 1.238 20 0 CDADMM CC(C)OC1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001603346925 1175544591 /nfs/dbraw/zinc/54/45/91/1175544591.db2.gz GMTMMXUMKBLTIP-UHFFFAOYSA-N -1 1 293.352 1.178 20 0 CDADMM CC(C)OC1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001603346925 1175544592 /nfs/dbraw/zinc/54/45/92/1175544592.db2.gz GMTMMXUMKBLTIP-UHFFFAOYSA-N -1 1 293.352 1.178 20 0 CDADMM CC(C)SCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001603377438 1175550190 /nfs/dbraw/zinc/55/01/90/1175550190.db2.gz UOTOIGFHUUQCEL-UHFFFAOYSA-N -1 1 265.346 1.210 20 0 CDADMM CC(C)SCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001603377438 1175550196 /nfs/dbraw/zinc/55/01/96/1175550196.db2.gz UOTOIGFHUUQCEL-UHFFFAOYSA-N -1 1 265.346 1.210 20 0 CDADMM C[C@@H](F)CCNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001603598313 1175573641 /nfs/dbraw/zinc/57/36/41/1175573641.db2.gz IGDULONMXZCHNF-ZCFIWIBFSA-N -1 1 298.709 1.393 20 0 CDADMM C[C@@H](F)CCNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001603599711 1175576735 /nfs/dbraw/zinc/57/67/35/1175576735.db2.gz XTOCJQAHKFGQFU-SSDOTTSWSA-N -1 1 277.307 1.694 20 0 CDADMM C[C@@H](F)CCNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001603599711 1175576741 /nfs/dbraw/zinc/57/67/41/1175576741.db2.gz 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CC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H](C)[S@@]1=O ZINC000287909698 280395092 /nfs/dbraw/zinc/39/50/92/280395092.db2.gz OKGPNZVLUHOVKD-QHJCOXKOSA-N -1 1 282.365 1.159 20 0 CDADMM CC(C)c1noc(=NCCN2CCSCC2)[n-]1 ZINC000524242497 281106445 /nfs/dbraw/zinc/10/64/45/281106445.db2.gz YWSHQDSOSSJUET-UHFFFAOYSA-N -1 1 256.375 1.076 20 0 CDADMM CC(C)O[C@@]1(C)C[C@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000529971173 281403290 /nfs/dbraw/zinc/40/32/90/281403290.db2.gz LVQJRUNCXZZUTJ-DOMZBBRYSA-N -1 1 277.320 1.647 20 0 CDADMM CC(=O)N1CC[C@@](C)(C(=O)Nc2cccc(F)c2[O-])C1 ZINC000530006506 281414384 /nfs/dbraw/zinc/41/43/84/281414384.db2.gz SRXSYORUKBBXJS-CQSZACIVSA-N -1 1 280.299 1.728 20 0 CDADMM Cc1n[nH]c([N-]S(=O)(=O)c2cncc(Cl)c2)c1C ZINC000532856308 282053705 /nfs/dbraw/zinc/05/37/05/282053705.db2.gz QESCAUFBIYYCKG-UHFFFAOYSA-N -1 1 286.744 1.876 20 0 CDADMM Cn1nc(C(=O)Nc2ccc(Cl)cc2[O-])ccc1=O ZINC000153613684 289175369 /nfs/dbraw/zinc/17/53/69/289175369.db2.gz LWHNKULVRJAZPG-UHFFFAOYSA-N -1 1 279.683 1.392 20 0 CDADMM O=C(N=c1cc2ccccn2[nH]1)c1csc(=NC2CC2)[n-]1 ZINC000553319341 290112045 /nfs/dbraw/zinc/11/20/45/290112045.db2.gz GKTMWQQMIJRCBW-UHFFFAOYSA-N -1 1 299.359 1.461 20 0 CDADMM O[C@@]1(CN=c2nc(C(F)(F)F)[n-]s2)CCSC1 ZINC000557628948 290358318 /nfs/dbraw/zinc/35/83/18/290358318.db2.gz CUUJCTBPNFRBSQ-SSDOTTSWSA-N -1 1 285.316 1.259 20 0 CDADMM CCOC(=O)C1(CN=c2nc(CCOC)[n-]s2)CCC1 ZINC000559847370 290462560 /nfs/dbraw/zinc/46/25/60/290462560.db2.gz UYOXHQQBNKCHBY-UHFFFAOYSA-N -1 1 299.396 1.294 20 0 CDADMM O=C(NCc1cc(F)cc(F)c1)c1cncc([O-])c1 ZINC000171763224 292905128 /nfs/dbraw/zinc/90/51/28/292905128.db2.gz YQHYYMUXCJVSLN-UHFFFAOYSA-N -1 1 264.231 1.995 20 0 CDADMM CCC[C@@H](NC(=O)[C@@H]1CCCCCC(=O)C1)c1nn[n-]n1 ZINC000562326864 293135877 /nfs/dbraw/zinc/13/58/77/293135877.db2.gz YYDSSSIERSVQGU-ZYHUDNBSSA-N -1 1 293.371 1.697 20 0 CDADMM CCCC[C@@H](CC)CNS(=O)(=O)c1c(C)o[n-]c1=N ZINC000564497906 293365140 /nfs/dbraw/zinc/36/51/40/293365140.db2.gz NKNUKKJTHXEQIF-SNVBAGLBSA-N -1 1 289.401 1.890 20 0 CDADMM CCCC[C@@H](CC)C[N-]S(=O)(=O)c1c(C)onc1N ZINC000564497906 293365142 /nfs/dbraw/zinc/36/51/42/293365142.db2.gz NKNUKKJTHXEQIF-SNVBAGLBSA-N -1 1 289.401 1.890 20 0 CDADMM COCCN(C)S(=O)(=O)[N-]c1c(C)noc1C1CC1 ZINC000565054016 293509369 /nfs/dbraw/zinc/50/93/69/293509369.db2.gz GDPGMIHUEKNQPL-UHFFFAOYSA-N -1 1 289.357 1.095 20 0 CDADMM C[C@@](O)(C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1CC1 ZINC000565423745 293609672 /nfs/dbraw/zinc/60/96/72/293609672.db2.gz GSNKFWZNNYFUJP-HNNXBMFYSA-N -1 1 287.319 1.882 20 0 CDADMM Cc1ncc(CNC(=O)c2c(F)ccc([O-])c2F)c(=O)[nH]1 ZINC000570249264 294202719 /nfs/dbraw/zinc/20/27/19/294202719.db2.gz YXDOQOGROOPDDF-UHFFFAOYSA-N -1 1 295.245 1.404 20 0 CDADMM CCCCCSc1cncc(-c2nnn[n-]2)n1 ZINC001590597328 1173472442 /nfs/dbraw/zinc/47/24/42/1173472442.db2.gz BREFBIRFERXNQN-UHFFFAOYSA-N -1 1 250.331 1.939 20 0 CDADMM CCCCCSc1cncc(-c2nn[n-]n2)n1 ZINC001590597328 1173472446 /nfs/dbraw/zinc/47/24/46/1173472446.db2.gz BREFBIRFERXNQN-UHFFFAOYSA-N -1 1 250.331 1.939 20 0 CDADMM CCn1c2ccccc2nc1CN(C)CCC(=O)[O-] ZINC000570996641 294348178 /nfs/dbraw/zinc/34/81/78/294348178.db2.gz SRDQQOYLTPDANO-UHFFFAOYSA-N -1 1 261.325 1.963 20 0 CDADMM C[C@H]1CN(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)C(C)(C)C1 ZINC000287050501 300093890 /nfs/dbraw/zinc/09/38/90/300093890.db2.gz DPVHSMGTIIOADT-RTEFUZQYSA-N -1 1 287.367 1.994 20 0 CDADMM C[C@H]1COCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000336395320 300339073 /nfs/dbraw/zinc/33/90/73/300339073.db2.gz OKFXLORZWDYKLA-MRVPVSSYSA-N -1 1 271.263 1.779 20 0 CDADMM Cn1cnnc1[C@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000271414190 303039028 /nfs/dbraw/zinc/03/90/28/303039028.db2.gz MGDWJYOWVRMZJQ-LLVKDONJSA-N -1 1 290.298 1.637 20 0 CDADMM CN(CCCCO)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591065588 1173569709 /nfs/dbraw/zinc/56/97/09/1173569709.db2.gz RRQKKWKDXAKLLB-UHFFFAOYSA-N -1 1 288.764 1.185 20 0 CDADMM CN(c1cccc(-c2nnn[n-]2)n1)[C@H](CO)CC(C)(C)C ZINC001591158569 1173585695 /nfs/dbraw/zinc/58/56/95/1173585695.db2.gz LGJILYIJZUNTNC-JTQLQIEISA-N -1 1 290.371 1.495 20 0 CDADMM CN(c1cccc(-c2nn[n-]n2)n1)[C@H](CO)CC(C)(C)C ZINC001591158569 1173585699 /nfs/dbraw/zinc/58/56/99/1173585699.db2.gz LGJILYIJZUNTNC-JTQLQIEISA-N -1 1 290.371 1.495 20 0 CDADMM COC[C@@H](CC(C)(C)C)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591375020 1173635435 /nfs/dbraw/zinc/63/54/35/1173635435.db2.gz IPRWKAAUGNLSKN-LLVKDONJSA-N -1 1 290.371 1.547 20 0 CDADMM COC[C@@H](CC(C)(C)C)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591375020 1173635440 /nfs/dbraw/zinc/63/54/40/1173635440.db2.gz IPRWKAAUGNLSKN-LLVKDONJSA-N -1 1 290.371 1.547 20 0 CDADMM CSCCOC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001591701200 1173689848 /nfs/dbraw/zinc/68/98/48/1173689848.db2.gz GXHMDJGNUZQICA-UHFFFAOYSA-N -1 1 270.339 1.448 20 0 CDADMM CSCCOC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591701200 1173689850 /nfs/dbraw/zinc/68/98/50/1173689850.db2.gz GXHMDJGNUZQICA-UHFFFAOYSA-N -1 1 270.339 1.448 20 0 CDADMM CSCCn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001591700677 1173690402 /nfs/dbraw/zinc/69/04/02/1173690402.db2.gz WTGDBWGSSYTDQE-UHFFFAOYSA-N -1 1 287.348 1.545 20 0 CDADMM C[C@@H](O)CSc1c2ccccc2nnc1-c1nn[nH]n1 ZINC001591731801 1173691662 /nfs/dbraw/zinc/69/16/62/1173691662.db2.gz UMNHVQZKRTXJSJ-SSDOTTSWSA-N -1 1 288.336 1.283 20 0 CDADMM C[C@@H](O)CSc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001591731801 1173691666 /nfs/dbraw/zinc/69/16/66/1173691666.db2.gz UMNHVQZKRTXJSJ-SSDOTTSWSA-N -1 1 288.336 1.283 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[Si](C)(C)C)n1 ZINC001591884779 1173738432 /nfs/dbraw/zinc/73/84/32/1173738432.db2.gz ZBCSWLPIMJDQHE-UHFFFAOYSA-N -1 1 277.408 1.279 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[Si](C)(C)C)n1 ZINC001591884779 1173738435 /nfs/dbraw/zinc/73/84/35/1173738435.db2.gz ZBCSWLPIMJDQHE-UHFFFAOYSA-N -1 1 277.408 1.279 20 0 CDADMM Cn1cc(NC(=O)c2cc(F)ccc2[O-])ccc1=O ZINC000175201724 315897868 /nfs/dbraw/zinc/89/78/68/315897868.db2.gz ROHAEZCFOLIGTJ-UHFFFAOYSA-N -1 1 262.240 1.482 20 0 CDADMM Cc1cc(C(=O)Nc2nn[n-]n2)nn1-c1cc(C)cc(C)c1 ZINC000180426921 316010006 /nfs/dbraw/zinc/01/00/06/316010006.db2.gz WYFDCNCGDBQPPV-UHFFFAOYSA-N -1 1 297.322 1.563 20 0 CDADMM Cn1nncc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350614663 316187665 /nfs/dbraw/zinc/18/76/65/316187665.db2.gz WDSWFAQCTXTKEG-UHFFFAOYSA-N -1 1 261.216 1.377 20 0 CDADMM [O-]c1ccc(-c2noc(CCn3ccnn3)n2)c(F)c1 ZINC000350614936 316187704 /nfs/dbraw/zinc/18/77/04/316187704.db2.gz ZAHURXATCHVHGO-UHFFFAOYSA-N -1 1 275.243 1.416 20 0 CDADMM Cc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)on1 ZINC001591930219 1173747439 /nfs/dbraw/zinc/74/74/39/1173747439.db2.gz YLBVHRWUYNPZSS-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM CCC[C@H]1CNCCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000569978019 316887618 /nfs/dbraw/zinc/88/76/18/316887618.db2.gz UVLNZLJSJADARU-ZDUSSCGKSA-N -1 1 276.336 1.599 20 0 CDADMM C[C@@H](CNC(=O)[C@H](C)C(=O)[O-])N1CCc2ccccc2C1 ZINC000576990986 317244707 /nfs/dbraw/zinc/24/47/07/317244707.db2.gz WQVCCIYMGBRUBA-RYUDHWBXSA-N -1 1 290.363 1.270 20 0 CDADMM CCCN(CC(=O)[O-])C(=O)[C@H](N)c1ccccc1C ZINC000577638932 317374738 /nfs/dbraw/zinc/37/47/38/317374738.db2.gz FSPVARJCYDFOHJ-CYBMUJFWSA-N -1 1 264.325 1.318 20 0 CDADMM Cc1ccc(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)o1 ZINC001592129502 1173808160 /nfs/dbraw/zinc/80/81/60/1173808160.db2.gz HRXNLQYGKJFAKQ-UHFFFAOYSA-N -1 1 273.256 1.052 20 0 CDADMM Cc1ccc(NCC[C@@H](C)CCO)c(-c2nnn[n-]2)n1 ZINC001592183036 1173825351 /nfs/dbraw/zinc/82/53/51/1173825351.db2.gz JORDMEQDFULEBB-SECBINFHSA-N -1 1 276.344 1.391 20 0 CDADMM Cc1ccc(NCC[C@@H](C)CCO)c(-c2nn[n-]n2)n1 ZINC001592183036 1173825354 /nfs/dbraw/zinc/82/53/54/1173825354.db2.gz JORDMEQDFULEBB-SECBINFHSA-N -1 1 276.344 1.391 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(Cc2nnsc2Cl)c1C ZINC001592340947 1173861441 /nfs/dbraw/zinc/86/14/41/1173861441.db2.gz MJTNDOXGFRWUIL-UHFFFAOYSA-N -1 1 296.747 1.233 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2nnsc2Cl)c1C ZINC001592340947 1173861445 /nfs/dbraw/zinc/86/14/45/1173861445.db2.gz MJTNDOXGFRWUIL-UHFFFAOYSA-N -1 1 296.747 1.233 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(Cc2nc(C(F)F)no2)c1C ZINC001592340980 1173861462 /nfs/dbraw/zinc/86/14/62/1173861462.db2.gz MTYMUQXNITYDJT-UHFFFAOYSA-N -1 1 296.241 1.049 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2nc(C(F)F)no2)c1C ZINC001592340980 1173861467 /nfs/dbraw/zinc/86/14/67/1173861467.db2.gz MTYMUQXNITYDJT-UHFFFAOYSA-N -1 1 296.241 1.049 20 0 CDADMM O=C(CCc1ccc2[nH]ccc2c1)Nc1nnn[n-]1 ZINC000180880897 323221582 /nfs/dbraw/zinc/22/15/82/323221582.db2.gz SHFZYHSNESLHKW-UHFFFAOYSA-N -1 1 256.269 1.252 20 0 CDADMM O=C(CCc1ccc2[nH]ccc2c1)Nc1nn[n-]n1 ZINC000180880897 323221585 /nfs/dbraw/zinc/22/15/85/323221585.db2.gz SHFZYHSNESLHKW-UHFFFAOYSA-N -1 1 256.269 1.252 20 0 CDADMM O=C([O-])c1cnc(N2CCN(Cc3ccccc3)CC2)cn1 ZINC000380890996 323619803 /nfs/dbraw/zinc/61/98/03/323619803.db2.gz BQDQXDPWDWBDOI-UHFFFAOYSA-N -1 1 298.346 1.497 20 0 CDADMM CCc1noc([C@H](C)N2CCC[C@@](C)(C(=O)[O-])C2)n1 ZINC000579116901 324110040 /nfs/dbraw/zinc/11/00/40/324110040.db2.gz JSJIBEBXUPDAGX-TVQRCGJNSA-N -1 1 267.329 1.880 20 0 CDADMM COc1cc(OC2CC2)ccc1C(=O)Nc1nnn[n-]1 ZINC000579785939 324276937 /nfs/dbraw/zinc/27/69/37/324276937.db2.gz BXYRRRCUOMMMEC-UHFFFAOYSA-N -1 1 275.268 1.002 20 0 CDADMM COc1cc(OC2CC2)ccc1C(=O)Nc1nn[n-]n1 ZINC000579785939 324276939 /nfs/dbraw/zinc/27/69/39/324276939.db2.gz BXYRRRCUOMMMEC-UHFFFAOYSA-N -1 1 275.268 1.002 20 0 CDADMM CC(C)OC(=O)CCNC(=O)c1c(F)ccc([O-])c1F ZINC000582513604 324989761 /nfs/dbraw/zinc/98/97/61/324989761.db2.gz MZMPHXMYGVGZMI-UHFFFAOYSA-N -1 1 287.262 1.742 20 0 CDADMM CCc1nc(SCC(=O)NC2CC2)[n-]c(=O)c1C ZINC000582557960 325000297 /nfs/dbraw/zinc/00/02/97/325000297.db2.gz YYRFAMLVNFIAMA-UHFFFAOYSA-N -1 1 267.354 1.424 20 0 CDADMM Cc1ccccc1[C@H](N)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000583206525 325129279 /nfs/dbraw/zinc/12/92/79/325129279.db2.gz JNZXWIUHDDSNKW-YPMHNXCESA-N -1 1 276.336 1.318 20 0 CDADMM CC(C)(NC(=O)c1cc2c([nH]1)CCCC2)c1nn[n-]n1 ZINC000583912436 325264432 /nfs/dbraw/zinc/26/44/32/325264432.db2.gz GYLZVEDDHPFGKX-UHFFFAOYSA-N -1 1 274.328 1.072 20 0 CDADMM CCOC(=O)c1c([N-]S(N)(=O)=O)sc2c1CCC2 ZINC000128980090 1159230785 /nfs/dbraw/zinc/23/07/85/1159230785.db2.gz KTVJRUFTLXIWCT-UHFFFAOYSA-N -1 1 290.366 1.029 20 0 CDADMM Cn1ncnc1SCC(=O)c1ccc([O-])cc1O ZINC000228035961 1159325108 /nfs/dbraw/zinc/32/51/08/1159325108.db2.gz WLDHWWXTCWKQPV-UHFFFAOYSA-N -1 1 265.294 1.201 20 0 CDADMM O=C([O-])c1cccc(F)c1NS(=O)(=O)c1ccco1 ZINC000682152790 482613147 /nfs/dbraw/zinc/61/31/47/482613147.db2.gz WXHUIXKGQRQEAN-UHFFFAOYSA-N -1 1 285.252 1.918 20 0 CDADMM O=C([O-])[C@@H]1CCC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC000680951534 482634787 /nfs/dbraw/zinc/63/47/87/482634787.db2.gz FVJWPIYKRPKOIU-SNVBAGLBSA-N -1 1 264.325 1.850 20 0 CDADMM O=C([O-])[C@@H]1CCCN(Cc2noc3c2CCCC3)C1 ZINC000680951534 482634792 /nfs/dbraw/zinc/63/47/92/482634792.db2.gz FVJWPIYKRPKOIU-SNVBAGLBSA-N -1 1 264.325 1.850 20 0 CDADMM CC(C)C(=O)NCCNC(=O)c1ccc([O-])c(F)c1 ZINC000681015344 482656957 /nfs/dbraw/zinc/65/69/57/482656957.db2.gz CXBGOUQDPVDOOU-UHFFFAOYSA-N -1 1 268.288 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CN(C)Cc1cc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])ccc1F ZINC000737367965 575949021 /nfs/dbraw/zinc/94/90/21/575949021.db2.gz GSYJHVNFTGKOOZ-RYUDHWBXSA-N -1 1 294.326 1.224 20 0 CDADMM Cc1cccc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737396273 575954999 /nfs/dbraw/zinc/95/49/99/575954999.db2.gz FJJFDJFJPQWRGG-UHFFFAOYSA-N -1 1 295.302 1.927 20 0 CDADMM Cc1cccc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737396273 575955002 /nfs/dbraw/zinc/95/50/02/575955002.db2.gz FJJFDJFJPQWRGG-UHFFFAOYSA-N -1 1 295.302 1.927 20 0 CDADMM C[C@@H](CC(=O)OCc1nc(=O)n(C)[n-]1)c1ccccc1 ZINC000765385277 576015047 /nfs/dbraw/zinc/01/50/47/576015047.db2.gz GJKJMABIICXAEZ-JTQLQIEISA-N -1 1 275.308 1.345 20 0 CDADMM Cn1[n-]c(COC(=O)c2cccc(C(F)F)c2)nc1=O ZINC000765468438 576027388 /nfs/dbraw/zinc/02/73/88/576027388.db2.gz TWUZHSBMXDBWLV-UHFFFAOYSA-N -1 1 283.234 1.403 20 0 CDADMM CCCC[C@@H](CC)CC(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765477374 576027562 /nfs/dbraw/zinc/02/75/62/576027562.db2.gz BLMVPJUPQZCHIB-SNVBAGLBSA-N -1 1 269.345 1.758 20 0 CDADMM Cc1ccc(CCCC(=O)OCc2nc(=O)n(C)[n-]2)s1 ZINC000765492086 576030299 /nfs/dbraw/zinc/03/02/99/576030299.db2.gz LBXBHGRADCPLQR-UHFFFAOYSA-N -1 1 295.364 1.544 20 0 CDADMM O=C(Nc1c([O-])cccc1F)c1cccc(-c2nn[nH]n2)c1 ZINC000738138785 576042236 /nfs/dbraw/zinc/04/22/36/576042236.db2.gz JJXOFRPUQICCQM-UHFFFAOYSA-N -1 1 299.265 1.964 20 0 CDADMM O=C(Nc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738192844 576047189 /nfs/dbraw/zinc/04/71/89/576047189.db2.gz YABVNSIDSDILTF-UHFFFAOYSA-N -1 1 266.264 1.514 20 0 CDADMM O=C(Nc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738192844 576047194 /nfs/dbraw/zinc/04/71/94/576047194.db2.gz YABVNSIDSDILTF-UHFFFAOYSA-N -1 1 266.264 1.514 20 0 CDADMM O=C(OCCc1cccnc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738222185 576050213 /nfs/dbraw/zinc/05/02/13/576050213.db2.gz LSPMEKMMPNTDGV-UHFFFAOYSA-N -1 1 296.290 1.056 20 0 CDADMM O=C(OCCc1cccnc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738222185 576050215 /nfs/dbraw/zinc/05/02/15/576050215.db2.gz LSPMEKMMPNTDGV-UHFFFAOYSA-N -1 1 296.290 1.056 20 0 CDADMM Cc1[nH]ncc1C(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC000738249002 576053476 /nfs/dbraw/zinc/05/34/76/576053476.db2.gz NATPIBXBOLZFFP-UHFFFAOYSA-N -1 1 295.324 1.229 20 0 CDADMM Cc1ccc([C@@H](C)NC(=O)CNC(C)(C)C(=O)[O-])cc1C ZINC000738262027 576054217 /nfs/dbraw/zinc/05/42/17/576054217.db2.gz SJYLCDSIVXEKNZ-GFCCVEGCSA-N -1 1 292.379 1.933 20 0 CDADMM O[C@@H](CNc1cccc(-c2nnn[n-]2)n1)Cc1ccccc1 ZINC000738381001 576064917 /nfs/dbraw/zinc/06/49/17/576064917.db2.gz FLIQHEVMSOVYRS-GFCCVEGCSA-N -1 1 296.334 1.277 20 0 CDADMM O[C@@H](CNc1cccc(-c2nn[n-]n2)n1)Cc1ccccc1 ZINC000738381001 576064919 /nfs/dbraw/zinc/06/49/19/576064919.db2.gz FLIQHEVMSOVYRS-GFCCVEGCSA-N -1 1 296.334 1.277 20 0 CDADMM O[C@H]1CCCC[C@@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC000738390101 576066706 /nfs/dbraw/zinc/06/67/06/576066706.db2.gz OYKFBOCNSGPUDJ-KOLCDFICSA-N -1 1 274.328 1.225 20 0 CDADMM O[C@H]1CCCC[C@@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC000738390101 576066707 /nfs/dbraw/zinc/06/67/07/576066707.db2.gz OYKFBOCNSGPUDJ-KOLCDFICSA-N -1 1 274.328 1.225 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCCCOC2CCCC2)n1 ZINC000738445131 576076326 /nfs/dbraw/zinc/07/63/26/576076326.db2.gz CXAGKBZSHPVGSM-UHFFFAOYSA-N -1 1 289.343 1.418 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCCCOC2CCCC2)n1 ZINC000738445131 576076327 /nfs/dbraw/zinc/07/63/27/576076327.db2.gz CXAGKBZSHPVGSM-UHFFFAOYSA-N -1 1 289.343 1.418 20 0 CDADMM COC[C@H](O)CCNC(=O)c1c([O-])cccc1Cl ZINC000766239806 576088157 /nfs/dbraw/zinc/08/81/57/576088157.db2.gz ONPJUDRKNHDDTG-MRVPVSSYSA-N -1 1 273.716 1.173 20 0 CDADMM Cc1cccnc1[C@H](N[C@H](C)C(=O)NCC(=O)[O-])C(C)C ZINC000738786337 576113974 /nfs/dbraw/zinc/11/39/74/576113974.db2.gz NPGAFIDNZWYMSS-DGCLKSJQSA-N -1 1 293.367 1.266 20 0 CDADMM CCc1cc(=O)[n-]c(SCC(=O)CCOC)n1 ZINC000767056928 576156766 /nfs/dbraw/zinc/15/67/66/576156766.db2.gz AYHRQVKFUWEYJN-UHFFFAOYSA-N -1 1 256.327 1.442 20 0 CDADMM NC(CN1CCCCCC1)=NOCc1ccc(C(=O)[O-])o1 ZINC000739185141 576179002 /nfs/dbraw/zinc/17/90/02/576179002.db2.gz ZWYNZFSZZLXGLC-UHFFFAOYSA-N -1 1 295.339 1.852 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H](C2OCCO2)C1 ZINC000767933064 576240138 /nfs/dbraw/zinc/24/01/38/576240138.db2.gz DYMYKDBHHQJIQT-LLVKDONJSA-N -1 1 295.310 1.756 20 0 CDADMM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000739548614 576251505 /nfs/dbraw/zinc/25/15/05/576251505.db2.gz POXMCXZMHNFXBE-SFYZADRCSA-N -1 1 293.710 1.553 20 0 CDADMM O=C(C[C@@H]1C=CS(=O)(=O)C1)Nc1ccc(F)cc1[O-] ZINC000768259110 576267203 /nfs/dbraw/zinc/26/72/03/576267203.db2.gz PZWCFIPTRMRXIL-QMMMGPOBSA-N -1 1 285.296 1.418 20 0 CDADMM O=C(Nc1cc(Cl)cc(Cl)c1O)c1cc(=O)[nH][n-]1 ZINC000760424622 576483796 /nfs/dbraw/zinc/48/37/96/576483796.db2.gz AGSIBYQLMNVXPO-UHFFFAOYSA-N -1 1 288.090 1.513 20 0 CDADMM O=C([N-]c1nnc(-c2ccco2)s1)c1ncccn1 ZINC000743298981 576631621 /nfs/dbraw/zinc/63/16/21/576631621.db2.gz DEYHYWQLJGNWRO-UHFFFAOYSA-N -1 1 273.277 1.840 20 0 CDADMM CC(C)N1CC[C@H]([N-]C(=O)C(F)(F)C(F)F)C1=O ZINC000749392400 576946428 /nfs/dbraw/zinc/94/64/28/576946428.db2.gz WYYOGOHUCNXWHK-LURJTMIESA-N -1 1 270.226 1.012 20 0 CDADMM COC(=O)C(C)(C)[N-]C(=O)C(F)(F)c1nccs1 ZINC000756647576 576998261 /nfs/dbraw/zinc/99/82/61/576998261.db2.gz UWWUMECGKJGCGX-UHFFFAOYSA-N -1 1 278.280 1.303 20 0 CDADMM COC[C@@H](C)CC(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000756661029 576999233 /nfs/dbraw/zinc/99/92/33/576999233.db2.gz DFRKBIGQABFPOF-NSHDSACASA-N -1 1 293.319 1.159 20 0 CDADMM CNC(=O)[C@@H](C)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000756938883 577015589 /nfs/dbraw/zinc/01/55/89/577015589.db2.gz SNPCASWKYXMNDA-ZCFIWIBFSA-N -1 1 292.232 1.307 20 0 CDADMM CCC(=O)c1cc(C(=O)Nc2nnn[n-]2)ccc1F ZINC000757003670 577019901 /nfs/dbraw/zinc/01/99/01/577019901.db2.gz HGSHQCDIXAGGSJ-UHFFFAOYSA-N -1 1 263.232 1.184 20 0 CDADMM CCC(=O)c1cc(C(=O)Nc2nn[n-]n2)ccc1F ZINC000757003670 577019903 /nfs/dbraw/zinc/01/99/03/577019903.db2.gz HGSHQCDIXAGGSJ-UHFFFAOYSA-N -1 1 263.232 1.184 20 0 CDADMM CCC[C@H](NC(=O)[C@H](C)c1ccc(C)o1)c1nn[n-]n1 ZINC000758293594 577095226 /nfs/dbraw/zinc/09/52/26/577095226.db2.gz YCSJBUSGWNIGQN-ZJUUUORDSA-N -1 1 277.328 1.862 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCOC1 ZINC000752413751 577104665 /nfs/dbraw/zinc/10/46/65/577104665.db2.gz LJEZNBNQDNTYJU-SECBINFHSA-N -1 1 265.313 1.133 20 0 CDADMM COc1cccc(OC)c1CC(=O)[N-]OCC(F)F ZINC000759331898 577169665 /nfs/dbraw/zinc/16/96/65/577169665.db2.gz UXNPPTAZINFBDW-UHFFFAOYSA-N -1 1 275.251 1.559 20 0 CDADMM O=C([O-])CC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC001601887991 1175052320 /nfs/dbraw/zinc/05/23/20/1175052320.db2.gz CTGCNJGWLSBHHB-LLVKDONJSA-N -1 1 280.324 1.398 20 0 CDADMM Cc1ccc2nc(CN3CC[C@H](C(=O)[O-])C3)cn2c1 ZINC000062134238 597529946 /nfs/dbraw/zinc/52/99/46/597529946.db2.gz RGMAXJOTSWXIBR-NSHDSACASA-N -1 1 259.309 1.549 20 0 CDADMM CC(C)Oc1ccc([C@@H](C)NCC(=O)NCC(=O)[O-])cc1 ZINC000820032850 597806122 /nfs/dbraw/zinc/80/61/22/597806122.db2.gz LDDAXYMDJPDTBV-LLVKDONJSA-N -1 1 294.351 1.325 20 0 CDADMM CN(C)C(=O)N1CCN(CCCCC(=O)[O-])C(C)(C)C1 ZINC000820530623 597810398 /nfs/dbraw/zinc/81/03/98/597810398.db2.gz XKWFQROUWXUFSB-UHFFFAOYSA-N -1 1 285.388 1.319 20 0 CDADMM O=C([O-])c1ccc(CN2CCN3C(=O)CC[C@H]3C2)cc1 ZINC000127507384 598083040 /nfs/dbraw/zinc/08/30/40/598083040.db2.gz OAWXHONABPRXRC-ZDUSSCGKSA-N -1 1 274.320 1.191 20 0 CDADMM C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1nnc[nH]1 ZINC000230434448 598214410 /nfs/dbraw/zinc/21/44/10/598214410.db2.gz AGMYARMBXAXKMP-MRVPVSSYSA-N -1 1 289.295 1.063 20 0 CDADMM C[C@@H](N[C@@H](C)CC(=O)[O-])c1nnc2n1CCCCC2 ZINC000820072585 598215022 /nfs/dbraw/zinc/21/50/22/598215022.db2.gz UFVIVFFHRAYYGV-VHSXEESVSA-N -1 1 266.345 1.518 20 0 CDADMM CC(C)(CO)CCCNc1cccc(-c2nnn[n-]2)n1 ZINC000819984632 599570336 /nfs/dbraw/zinc/57/03/36/599570336.db2.gz ZVCZZSTWOHXTIQ-UHFFFAOYSA-N -1 1 276.344 1.472 20 0 CDADMM CC(C)(CO)CCCNc1cccc(-c2nn[n-]n2)n1 ZINC000819984632 599570338 /nfs/dbraw/zinc/57/03/38/599570338.db2.gz ZVCZZSTWOHXTIQ-UHFFFAOYSA-N -1 1 276.344 1.472 20 0 CDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(F)(F)F ZINC000820508082 599627691 /nfs/dbraw/zinc/62/76/91/599627691.db2.gz MCUWBSHLMCJPCA-YFKPBYRVSA-N -1 1 287.201 1.369 20 0 CDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(F)(F)F ZINC000820508082 599627692 /nfs/dbraw/zinc/62/76/92/599627692.db2.gz MCUWBSHLMCJPCA-YFKPBYRVSA-N -1 1 287.201 1.369 20 0 CDADMM CCC(CC)(CCO)CNc1nccnc1-c1nnn[n-]1 ZINC000820887751 599688391 /nfs/dbraw/zinc/68/83/91/599688391.db2.gz PDLNTVPNXIQUOT-UHFFFAOYSA-N -1 1 291.359 1.257 20 0 CDADMM CCC(CC)(CCO)CNc1nccnc1-c1nn[n-]n1 ZINC000820887751 599688392 /nfs/dbraw/zinc/68/83/92/599688392.db2.gz PDLNTVPNXIQUOT-UHFFFAOYSA-N -1 1 291.359 1.257 20 0 CDADMM CCN(CC)CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000737085527 600280285 /nfs/dbraw/zinc/28/02/85/600280285.db2.gz OGGCOCCCEQZABQ-GFCCVEGCSA-N -1 1 276.336 1.543 20 0 CDADMM CCC[C@](C)(NCC(=O)N1C[C@H](C)C[C@@H](C)C1)C(=O)[O-] ZINC000217918666 600323148 /nfs/dbraw/zinc/32/31/48/600323148.db2.gz NQTZUAAOHXBUQX-JMSVASOKSA-N -1 1 284.400 1.724 20 0 CDADMM CC[C@@](C)(NCC(=O)N1CCCc2ccccc21)C(=O)[O-] ZINC000094228868 600562116 /nfs/dbraw/zinc/56/21/16/600562116.db2.gz VCHPWCPAQJTZMY-MRXNPFEDSA-N -1 1 290.363 1.809 20 0 CDADMM C/C(=C\CSc1nc(-c2ccccn2)n[nH]1)C(=O)[O-] ZINC000825793271 600729188 /nfs/dbraw/zinc/72/91/88/600729188.db2.gz PYOWVWGUHOSWHI-VMPITWQZSA-N -1 1 276.321 1.990 20 0 CDADMM Cc1c(Nc2cccc(-c3nn[n-]n3)n2)cnn1C ZINC000826243119 607901911 /nfs/dbraw/zinc/90/19/11/607901911.db2.gz VBUKIYQDXVXVAQ-UHFFFAOYSA-N -1 1 256.273 1.047 20 0 CDADMM CCN(CC)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000829672027 600818861 /nfs/dbraw/zinc/81/88/61/600818861.db2.gz WXNGDLGQBPYJRB-JTQLQIEISA-N -1 1 282.365 1.893 20 0 CDADMM CC[C@@H](O)CN1CCN(Cc2cc(C(=O)[O-])c(C)o2)CC1 ZINC000829004911 600841876 /nfs/dbraw/zinc/84/18/76/600841876.db2.gz RMOYVGBCLYYRRR-GFCCVEGCSA-N -1 1 296.367 1.175 20 0 CDADMM C[C@H]1CCCN1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000828271933 600874283 /nfs/dbraw/zinc/87/42/83/600874283.db2.gz RDOWYJAOYFAAII-JTQLQIEISA-N -1 1 262.309 1.808 20 0 CDADMM COC[C@](C)(CC(=O)OC)NCc1cc(C)c(C(=O)[O-])o1 ZINC000831591944 601135755 /nfs/dbraw/zinc/13/57/55/601135755.db2.gz ZKYZSJBTXRRTAO-AWEZNQCLSA-N -1 1 299.323 1.344 20 0 CDADMM C[C@@H](C(=O)N(CC(=O)[O-])c1ccccc1)N(C)C ZINC000832798885 601137948 /nfs/dbraw/zinc/13/79/48/601137948.db2.gz OGWXFBYKECPKND-JTQLQIEISA-N -1 1 250.298 1.054 20 0 CDADMM C/C(=C\CN1CCCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000229976885 601157269 /nfs/dbraw/zinc/15/72/69/601157269.db2.gz OTNKSNBYPPGBSR-WUXMJOGZSA-N -1 1 298.383 1.960 20 0 CDADMM Cc1ccc(C(=O)[O-])cc1NC(=O)NCc1c[nH]nn1 ZINC000398339501 601402393 /nfs/dbraw/zinc/40/23/93/601402393.db2.gz MMCCGHVHIRYIFZ-UHFFFAOYSA-N -1 1 275.268 1.133 20 0 CDADMM O=C([O-])CC[N@H+]1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000833236777 601431717 /nfs/dbraw/zinc/43/17/17/601431717.db2.gz ZSNJDRCKOHONKR-RYUDHWBXSA-N -1 1 269.341 1.817 20 0 CDADMM O=C([O-])CCN1CCN(C(=O)Nc2ccccc2)CC1 ZINC000035124615 601457180 /nfs/dbraw/zinc/45/71/80/601457180.db2.gz YRLAJHFICQTDMO-UHFFFAOYSA-N -1 1 277.324 1.311 20 0 CDADMM COC[C@@](C)(CC(=O)[O-])NCc1cc(C(=O)OC)c(C)o1 ZINC000831579318 601489610 /nfs/dbraw/zinc/48/96/10/601489610.db2.gz ZQJHSBXUMUVWDR-CQSZACIVSA-N -1 1 299.323 1.344 20 0 CDADMM CCC1CCC(NCC(=O)NCC2CC2)(C(=O)[O-])CC1 ZINC000829101295 601494061 /nfs/dbraw/zinc/49/40/61/601494061.db2.gz NHBZVVKDXRIOJG-UHFFFAOYSA-N -1 1 282.384 1.526 20 0 CDADMM CC(C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1)=C1CCCC1 ZINC000825990936 601503301 /nfs/dbraw/zinc/50/33/01/601503301.db2.gz RHXCVVAKZPQMKU-LBPRGKRZSA-N -1 1 294.395 1.884 20 0 CDADMM Cc1ccc(C)c(NC(=O)CN2C[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000111254377 601505785 /nfs/dbraw/zinc/50/57/85/601505785.db2.gz VCQKDFXDTPXRJQ-QWHCGFSZSA-N -1 1 290.363 1.894 20 0 CDADMM C[C@H]1CN(Cc2nc(-c3ccco3)no2)C[C@H]1C(=O)[O-] ZINC000251905113 601523349 /nfs/dbraw/zinc/52/33/49/601523349.db2.gz WSPSSTRUUJXLPR-DTWKUNHWSA-N -1 1 277.280 1.482 20 0 CDADMM COC(=O)/C(C)=C\CN1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000831053433 601543197 /nfs/dbraw/zinc/54/31/97/601543197.db2.gz PLQOJCWLEOGLQT-JOHMGYAOSA-N -1 1 289.331 1.790 20 0 CDADMM CC(C)CN(CC(N)=O)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000232604867 601617327 /nfs/dbraw/zinc/61/73/27/601617327.db2.gz OYOHKSIPMVUOTE-UHFFFAOYSA-N -1 1 282.315 1.467 20 0 CDADMM CCc1nnc(CNC(CC)(CC)CC(=O)[O-])o1 ZINC000830335722 601633872 /nfs/dbraw/zinc/63/38/72/601633872.db2.gz VLXUWWWMPHFWJH-UHFFFAOYSA-N -1 1 255.318 1.755 20 0 CDADMM Cc1ccncc1NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000832984935 601769950 /nfs/dbraw/zinc/76/99/50/601769950.db2.gz QSJPRHCJKXYYQR-UHFFFAOYSA-N -1 1 299.333 1.346 20 0 CDADMM CN(C)C1(C(=O)Nc2ccc(OCC(=O)[O-])cc2)CCC1 ZINC000830585273 601939867 /nfs/dbraw/zinc/93/98/67/601939867.db2.gz VUCZYDPKIKPCLS-UHFFFAOYSA-N -1 1 292.335 1.573 20 0 CDADMM CCCCN(CC(N)=O)Cc1ccc(C(=O)[O-])s1 ZINC000109602072 601942234 /nfs/dbraw/zinc/94/22/34/601942234.db2.gz NJXDWFSIHTUWMF-UHFFFAOYSA-N -1 1 270.354 1.534 20 0 CDADMM CCCCOC(=O)[C@@H](C)N1CC[C@](C)(C(=O)[O-])C1 ZINC000829401151 601948729 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Cc1nsc(N(C)C(=O)[C@@H]2C[C@H]2C)c1-c1nnn[n-]1 ZINC000822530557 606236985 /nfs/dbraw/zinc/23/69/85/606236985.db2.gz HGRCEEQUZXOGFK-IYSWYEEDSA-N -1 1 278.341 1.250 20 0 CDADMM Cc1nsc(N(C)C(=O)[C@@H]2C[C@H]2C)c1-c1nn[n-]n1 ZINC000822530557 606236987 /nfs/dbraw/zinc/23/69/87/606236987.db2.gz HGRCEEQUZXOGFK-IYSWYEEDSA-N -1 1 278.341 1.250 20 0 CDADMM O=C(NCCc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823224191 606486194 /nfs/dbraw/zinc/48/61/94/606486194.db2.gz SVFSDJKPZBWTRC-UHFFFAOYSA-N -1 1 299.359 1.901 20 0 CDADMM O=C(NCCc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823224191 606486195 /nfs/dbraw/zinc/48/61/95/606486195.db2.gz SVFSDJKPZBWTRC-UHFFFAOYSA-N -1 1 299.359 1.901 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CCOC1 ZINC000820390184 606572280 /nfs/dbraw/zinc/57/22/80/606572280.db2.gz FVQSCSURMGHLCX-SFYZADRCSA-N -1 1 293.352 1.083 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CCOC1 ZINC000820390184 606572281 /nfs/dbraw/zinc/57/22/81/606572281.db2.gz FVQSCSURMGHLCX-SFYZADRCSA-N -1 1 293.352 1.083 20 0 CDADMM Cc1c[nH]cc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822128379 606651130 /nfs/dbraw/zinc/65/11/30/606651130.db2.gz BQKDTPZAGXZXQW-UHFFFAOYSA-N -1 1 284.279 1.255 20 0 CDADMM Cc1c[nH]cc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822128379 606651131 /nfs/dbraw/zinc/65/11/31/606651131.db2.gz BQKDTPZAGXZXQW-UHFFFAOYSA-N -1 1 284.279 1.255 20 0 CDADMM CC[C@H](C)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820860816 606751918 /nfs/dbraw/zinc/75/19/18/606751918.db2.gz KSJFNBIELDBRPZ-QMMMGPOBSA-N -1 1 289.295 1.034 20 0 CDADMM CC[C@H](C)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820860816 606751920 /nfs/dbraw/zinc/75/19/20/606751920.db2.gz KSJFNBIELDBRPZ-QMMMGPOBSA-N -1 1 289.295 1.034 20 0 CDADMM CCCCOC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000825291194 607864987 /nfs/dbraw/zinc/86/49/87/607864987.db2.gz NXXYPWQYXJEBBR-UHFFFAOYSA-N -1 1 294.286 1.728 20 0 CDADMM CCCCOC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000825291194 607864988 /nfs/dbraw/zinc/86/49/88/607864988.db2.gz NXXYPWQYXJEBBR-UHFFFAOYSA-N -1 1 294.286 1.728 20 0 CDADMM CCCCCOC1CN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000825275894 607901471 /nfs/dbraw/zinc/90/14/71/607901471.db2.gz GNYYYOKHAXFARS-UHFFFAOYSA-N -1 1 288.355 1.657 20 0 CDADMM CCCCCOC1CN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000825275894 607901472 /nfs/dbraw/zinc/90/14/72/607901472.db2.gz GNYYYOKHAXFARS-UHFFFAOYSA-N -1 1 288.355 1.657 20 0 CDADMM Cc1c(Nc2cccc(-c3nnn[n-]3)n2)cnn1C ZINC000826243119 607901910 /nfs/dbraw/zinc/90/19/10/607901910.db2.gz VBUKIYQDXVXVAQ-UHFFFAOYSA-N -1 1 256.273 1.047 20 0 CDADMM COc1ccc(CCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826192604 607987729 /nfs/dbraw/zinc/98/77/29/607987729.db2.gz UBLHUONOLMISIM-UHFFFAOYSA-N -1 1 297.322 1.320 20 0 CDADMM COc1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826192604 607987728 /nfs/dbraw/zinc/98/77/28/607987728.db2.gz UBLHUONOLMISIM-UHFFFAOYSA-N -1 1 297.322 1.320 20 0 CDADMM C[C@@H]1OCC[C@@H]1Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000825020200 608148007 /nfs/dbraw/zinc/14/80/07/608148007.db2.gz JFVFRXKWOYUIPA-WPRPVWTQSA-N -1 1 297.322 1.399 20 0 CDADMM C[C@@H]1OCC[C@@H]1Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000825020200 608148008 /nfs/dbraw/zinc/14/80/08/608148008.db2.gz JFVFRXKWOYUIPA-WPRPVWTQSA-N -1 1 297.322 1.399 20 0 CDADMM C[C@@H]1OCC[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000825022587 608148640 /nfs/dbraw/zinc/14/86/40/608148640.db2.gz YUGYTDHZIDZDSD-POYBYMJQSA-N -1 1 280.719 1.504 20 0 CDADMM C[C@@H]1OCC[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000825022587 608148641 /nfs/dbraw/zinc/14/86/41/608148641.db2.gz YUGYTDHZIDZDSD-POYBYMJQSA-N -1 1 280.719 1.504 20 0 CDADMM Cc1cc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)no1 ZINC000826265629 608395347 /nfs/dbraw/zinc/39/53/47/608395347.db2.gz HNIDBLAJMUFDEQ-NSHDSACASA-N -1 1 298.310 1.295 20 0 CDADMM Cc1cc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)no1 ZINC000826265629 608395349 /nfs/dbraw/zinc/39/53/49/608395349.db2.gz HNIDBLAJMUFDEQ-NSHDSACASA-N -1 1 298.310 1.295 20 0 CDADMM C[C@H](Cc1cccs1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824457013 608396135 /nfs/dbraw/zinc/39/61/35/608396135.db2.gz CMQRZOSYQBTSNW-MRVPVSSYSA-N -1 1 287.352 1.761 20 0 CDADMM C[C@H](Cc1cccs1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824457013 608396137 /nfs/dbraw/zinc/39/61/37/608396137.db2.gz CMQRZOSYQBTSNW-MRVPVSSYSA-N -1 1 287.352 1.761 20 0 CDADMM Cc1occc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826342306 608403793 /nfs/dbraw/zinc/40/37/93/608403793.db2.gz FPEOPGSQGWRNQQ-UHFFFAOYSA-N -1 1 257.257 1.170 20 0 CDADMM Cc1occc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826342306 608403794 /nfs/dbraw/zinc/40/37/94/608403794.db2.gz FPEOPGSQGWRNQQ-UHFFFAOYSA-N -1 1 257.257 1.170 20 0 CDADMM Cc1cccc2c1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC000826305254 608407161 /nfs/dbraw/zinc/40/71/61/608407161.db2.gz PZYLTLIPVQECLC-UHFFFAOYSA-N -1 1 279.307 1.659 20 0 CDADMM Cc1cccc2c1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC000826305254 608407162 /nfs/dbraw/zinc/40/71/62/608407162.db2.gz PZYLTLIPVQECLC-UHFFFAOYSA-N -1 1 279.307 1.659 20 0 CDADMM Fc1cccc([C@H]2CCN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826376680 608426747 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CCN(CC1CC1)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001604288757 1163143939 /nfs/dbraw/zinc/14/39/39/1163143939.db2.gz MGTGCXIDBDZLHM-UHFFFAOYSA-N -1 1 259.317 1.201 20 0 CDADMM C[C@H](N[C@H](C(=O)[O-])C1CC1)C(=O)NC1CCCCC1 ZINC001604320298 1163147968 /nfs/dbraw/zinc/14/79/68/1163147968.db2.gz XFTYEHSQCBMYGI-CABZTGNLSA-N -1 1 268.357 1.277 20 0 CDADMM C[C@@H](NC[C@H](O)CC(C)(C)O)c1ncc(C(=O)[O-])s1 ZINC001604333275 1163154780 /nfs/dbraw/zinc/15/47/80/1163154780.db2.gz SBWPNDWPOHNMAE-HTQZYQBOSA-N -1 1 288.369 1.014 20 0 CDADMM CCNc1ccc(Nc2nccnc2-c2nnn[n-]2)cn1 ZINC001604360491 1163163850 /nfs/dbraw/zinc/16/38/50/1163163850.db2.gz ZXLYWXZUAXOHSD-UHFFFAOYSA-N -1 1 283.299 1.227 20 0 CDADMM CCNc1ccc(Nc2nccnc2-c2nn[n-]n2)cn1 ZINC001604360491 1163163856 /nfs/dbraw/zinc/16/38/56/1163163856.db2.gz ZXLYWXZUAXOHSD-UHFFFAOYSA-N -1 1 283.299 1.227 20 0 CDADMM CCO[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001604412602 1163180444 /nfs/dbraw/zinc/18/04/44/1163180444.db2.gz WMWDZUKFSHAHRE-VIFPVBQESA-N -1 1 294.384 1.637 20 0 CDADMM C[C@@H](c1nc(C(=O)[O-])co1)N1CCN(C2CCC2)CC1 ZINC001604476638 1163197217 /nfs/dbraw/zinc/19/72/17/1163197217.db2.gz CQZWBJUUBNXZGW-JTQLQIEISA-N -1 1 279.340 1.604 20 0 CDADMM CC[C@@H]1C[C@H]1CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001604491408 1163206808 /nfs/dbraw/zinc/20/68/08/1163206808.db2.gz WLHBLOSMSNAKQZ-SCZZXKLOSA-N -1 1 272.312 1.038 20 0 CDADMM CC[C@@H]1C[C@H]1CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001604491408 1163206814 /nfs/dbraw/zinc/20/68/14/1163206814.db2.gz WLHBLOSMSNAKQZ-SCZZXKLOSA-N -1 1 272.312 1.038 20 0 CDADMM CCc1cnc(NC(=O)c2coc(-c3nn[n-]n3)c2)s1 ZINC001604537615 1163222369 /nfs/dbraw/zinc/22/23/69/1163222369.db2.gz DBSZTDGGPRVEIM-UHFFFAOYSA-N -1 1 290.308 1.731 20 0 CDADMM CCc1cnc(NC(=O)c2coc(-c3nnn[n-]3)c2)s1 ZINC001604537615 1163222362 /nfs/dbraw/zinc/22/23/62/1163222362.db2.gz DBSZTDGGPRVEIM-UHFFFAOYSA-N -1 1 290.308 1.731 20 0 CDADMM CN(Cc1ccoc1)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001604821854 1163342290 /nfs/dbraw/zinc/34/22/90/1163342290.db2.gz OMOINQWMFCFICC-UHFFFAOYSA-N -1 1 289.320 1.793 20 0 CDADMM C[C@H]1OCC[C@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001604835012 1163347458 /nfs/dbraw/zinc/34/74/58/1163347458.db2.gz PBRXUSCDXACXKA-HTQZYQBOSA-N -1 1 289.291 1.625 20 0 CDADMM CO[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)[C@@H](C)C1 ZINC001605030292 1163425063 /nfs/dbraw/zinc/42/50/63/1163425063.db2.gz JXRGJTQGLFVHAR-IUCAKERBSA-N -1 1 291.311 1.099 20 0 CDADMM CO[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)[C@@H](C)C1 ZINC001605030292 1163425065 /nfs/dbraw/zinc/42/50/65/1163425065.db2.gz JXRGJTQGLFVHAR-IUCAKERBSA-N -1 1 291.311 1.099 20 0 CDADMM COCCC[C@@H](C)OC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001605087289 1163446375 /nfs/dbraw/zinc/44/63/75/1163446375.db2.gz OGYJHLUFNVPFOP-MRVPVSSYSA-N -1 1 296.352 1.900 20 0 CDADMM COCCC[C@@H](C)OC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001605087289 1163446378 /nfs/dbraw/zinc/44/63/78/1163446378.db2.gz OGYJHLUFNVPFOP-MRVPVSSYSA-N -1 1 296.352 1.900 20 0 CDADMM CCN(CCC(=O)[O-])CN1Cc2cc(OC)ccc2C1=O ZINC001605443074 1163564620 /nfs/dbraw/zinc/56/46/20/1163564620.db2.gz RFEKNBSKWPXWEB-UHFFFAOYSA-N -1 1 292.335 1.405 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]([C@@H](C)O)C2)c1 ZINC001605560986 1163611647 /nfs/dbraw/zinc/61/16/47/1163611647.db2.gz NJPNHAPXNMJUTA-GHMZBOCLSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]([C@@H](C)O)C2)c1 ZINC001605560986 1163611651 /nfs/dbraw/zinc/61/16/51/1163611651.db2.gz NJPNHAPXNMJUTA-GHMZBOCLSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(NCC[C@@H]2CCCCO2)nc(-c2nnn[n-]2)c1 ZINC001605729805 1163654092 /nfs/dbraw/zinc/65/40/92/1163654092.db2.gz LHQOADHMCSPYQR-NSHDSACASA-N -1 1 288.355 1.941 20 0 CDADMM Cc1cc(NCC[C@@H]2CCCCO2)nc(-c2nn[n-]n2)c1 ZINC001605729805 1163654095 /nfs/dbraw/zinc/65/40/95/1163654095.db2.gz LHQOADHMCSPYQR-NSHDSACASA-N -1 1 288.355 1.941 20 0 CDADMM Cc1cc2n[nH]cc2cc1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001605755100 1163661352 /nfs/dbraw/zinc/66/13/52/1163661352.db2.gz DHVFNCQWOXYAMP-UHFFFAOYSA-N -1 1 293.294 1.585 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCCCOC(F)F ZINC001605803521 1163677243 /nfs/dbraw/zinc/67/72/43/1163677243.db2.gz APGIGUYEUSEYBN-UHFFFAOYSA-N -1 1 284.270 1.611 20 0 CDADMM Cc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c(C)c1 ZINC001605823830 1163680848 /nfs/dbraw/zinc/68/08/48/1163680848.db2.gz NWTJHRFVBDPHCL-UHFFFAOYSA-N -1 1 283.295 1.459 20 0 CDADMM Cc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c(C)c1 ZINC001605823830 1163680849 /nfs/dbraw/zinc/68/08/49/1163680849.db2.gz NWTJHRFVBDPHCL-UHFFFAOYSA-N -1 1 283.295 1.459 20 0 CDADMM Cc1ccc(N2CCC[C@@H](F)C2)nc1-c1nnn[n-]1 ZINC001605864499 1163696752 /nfs/dbraw/zinc/69/67/52/1163696752.db2.gz GMTOVLZAGFKVBE-SECBINFHSA-N -1 1 262.292 1.508 20 0 CDADMM Cc1ccc(N2CCC[C@@H](F)C2)nc1-c1nn[n-]n1 ZINC001605864499 1163696754 /nfs/dbraw/zinc/69/67/54/1163696754.db2.gz GMTOVLZAGFKVBE-SECBINFHSA-N -1 1 262.292 1.508 20 0 CDADMM Cc1ccc(NC[C@H]2CCCCO2)nc1-c1nnn[n-]1 ZINC001605873165 1163700065 /nfs/dbraw/zinc/70/00/65/1163700065.db2.gz CYFDYNSWMQXCQC-SNVBAGLBSA-N -1 1 274.328 1.551 20 0 CDADMM Cc1ccc(NC[C@H]2CCCCO2)nc1-c1nn[n-]n1 ZINC001605873165 1163700072 /nfs/dbraw/zinc/70/00/72/1163700072.db2.gz CYFDYNSWMQXCQC-SNVBAGLBSA-N -1 1 274.328 1.551 20 0 CDADMM Cc1ccc(NCC[C@H]2CCCO2)nc1-c1nnn[n-]1 ZINC001605875067 1163701916 /nfs/dbraw/zinc/70/19/16/1163701916.db2.gz XGTNOOJZQMJYIO-SNVBAGLBSA-N -1 1 274.328 1.551 20 0 CDADMM Cc1ccc(NCC[C@H]2CCCO2)nc1-c1nn[n-]n1 ZINC001605875067 1163701919 /nfs/dbraw/zinc/70/19/19/1163701919.db2.gz XGTNOOJZQMJYIO-SNVBAGLBSA-N -1 1 274.328 1.551 20 0 CDADMM Cc1[nH]nc(NC(=O)C[C@H]2CC[C@H](C)C2)c1-c1nn[n-]n1 ZINC001606012904 1163743830 /nfs/dbraw/zinc/74/38/30/1163743830.db2.gz AMCZOZSBEIPTJK-CBAPKCEASA-N -1 1 289.343 1.663 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(Cc2ccn(C(C)C)n2)c1C ZINC001606021529 1163747207 /nfs/dbraw/zinc/74/72/07/1163747207.db2.gz VWYBBPGHFYEKGO-UHFFFAOYSA-N -1 1 286.343 1.506 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2ccn(C(C)C)n2)c1C ZINC001606021529 1163747212 /nfs/dbraw/zinc/74/72/12/1163747212.db2.gz VWYBBPGHFYEKGO-UHFFFAOYSA-N -1 1 286.343 1.506 20 0 CDADMM CN(C)Cc1ccsc1C(=O)NC1CC(CC(=O)[O-])C1 ZINC001606036740 1163751609 /nfs/dbraw/zinc/75/16/09/1163751609.db2.gz YPFAWFNFFRUBTQ-UHFFFAOYSA-N -1 1 296.392 1.793 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCC(C)C ZINC001606166870 1163794489 /nfs/dbraw/zinc/79/44/89/1163794489.db2.gz GZBDBOIYUIPSMI-UHFFFAOYSA-N -1 1 263.301 1.544 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCC(C)C ZINC001606166870 1163794493 /nfs/dbraw/zinc/79/44/93/1163794493.db2.gz GZBDBOIYUIPSMI-UHFFFAOYSA-N -1 1 263.301 1.544 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@H](C)[C@@H]1C ZINC001606165190 1163795035 /nfs/dbraw/zinc/79/50/35/1163795035.db2.gz ACLUWRWJAJUWOA-BQBZGAKWSA-N -1 1 261.285 1.249 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@H](C)[C@@H]1C ZINC001606165190 1163795029 /nfs/dbraw/zinc/79/50/29/1163795029.db2.gz ACLUWRWJAJUWOA-BQBZGAKWSA-N -1 1 261.285 1.249 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@H]1CCCOC1 ZINC001606169208 1163795861 /nfs/dbraw/zinc/79/58/61/1163795861.db2.gz FNCRHKPVWOQKLG-MRVPVSSYSA-N -1 1 278.268 1.104 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@H]1CCCOC1 ZINC001606169208 1163795866 /nfs/dbraw/zinc/79/58/66/1163795866.db2.gz FNCRHKPVWOQKLG-MRVPVSSYSA-N -1 1 278.268 1.104 20 0 CDADMM Clc1cnc(Oc2cccnc2-c2nnn[n-]2)nc1 ZINC001606198461 1163804810 /nfs/dbraw/zinc/80/48/10/1163804810.db2.gz LYDFJSCXTWTMIQ-UHFFFAOYSA-N -1 1 275.659 1.497 20 0 CDADMM Clc1cnc(Oc2cccnc2-c2nn[n-]n2)nc1 ZINC001606198461 1163804816 /nfs/dbraw/zinc/80/48/16/1163804816.db2.gz LYDFJSCXTWTMIQ-UHFFFAOYSA-N -1 1 275.659 1.497 20 0 CDADMM Cn1ccc(CNC(=O)c2csc(-c3nn[n-]n3)c2)c1 ZINC001606249881 1163826436 /nfs/dbraw/zinc/82/64/36/1163826436.db2.gz JBUAZDQQCDDYAQ-UHFFFAOYSA-N -1 1 288.336 1.197 20 0 CDADMM Fc1ccc2c(c1)CCN(c1ccnc(-c3nnn[n-]3)c1)C2 ZINC001606327218 1163862085 /nfs/dbraw/zinc/86/20/85/1163862085.db2.gz XTPMDGDDMJPNKH-UHFFFAOYSA-N -1 1 296.309 1.964 20 0 CDADMM Fc1ccc2c(c1)CCN(c1ccnc(-c3nn[n-]n3)c1)C2 ZINC001606327218 1163862091 /nfs/dbraw/zinc/86/20/91/1163862091.db2.gz XTPMDGDDMJPNKH-UHFFFAOYSA-N -1 1 296.309 1.964 20 0 CDADMM COC(=O)CC1(NCc2cc(C(=O)[O-])c(C)o2)CCC1 ZINC001606445430 1163902816 /nfs/dbraw/zinc/90/28/16/1163902816.db2.gz IMENEAVYGWVTRE-UHFFFAOYSA-N -1 1 281.308 1.862 20 0 CDADMM COC(=O)c1ccoc1CN[C@H]1CCC[C@H]1C(=O)[O-] ZINC001606623144 1163937882 /nfs/dbraw/zinc/93/78/82/1163937882.db2.gz RKQKCJCRTSLTLE-SCZZXKLOSA-N -1 1 267.281 1.409 20 0 CDADMM O=C(N[C@H]1CC2CCC1CC2)c1coc(-c2nnn[n-]2)c1 ZINC001606655167 1163947789 /nfs/dbraw/zinc/94/77/89/1163947789.db2.gz FOJJQGNONHHXIH-AMUVOQDHSA-N -1 1 287.323 1.768 20 0 CDADMM O=C(N[C@H]1CC2CCC1CC2)c1coc(-c2nn[n-]n2)c1 ZINC001606655167 1163947793 /nfs/dbraw/zinc/94/77/93/1163947793.db2.gz FOJJQGNONHHXIH-AMUVOQDHSA-N -1 1 287.323 1.768 20 0 CDADMM O=C(NCCC1CCCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606761654 1163986376 /nfs/dbraw/zinc/98/63/76/1163986376.db2.gz QJOILKQIDPWUIH-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM O=C(NCCC1CCCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606761654 1163986378 /nfs/dbraw/zinc/98/63/78/1163986378.db2.gz QJOILKQIDPWUIH-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM O=C(Nc1ccccn1)c1csc(-c2nn[n-]n2)c1 ZINC001606940148 1164035050 /nfs/dbraw/zinc/03/50/50/1164035050.db2.gz GULCIMNSQMFSDY-UHFFFAOYSA-N -1 1 272.293 1.576 20 0 CDADMM O=C(Nc1cnnc(Cl)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001606946857 1164036893 /nfs/dbraw/zinc/03/68/93/1164036893.db2.gz ARNCKSONJJPDBT-UHFFFAOYSA-N -1 1 291.658 1.155 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCCC2(CC2)C1 ZINC001607025823 1164062496 /nfs/dbraw/zinc/06/24/96/1164062496.db2.gz LOYIUINSEXOBAX-UHFFFAOYSA-N -1 1 284.323 1.278 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCCC2(CC2)C1 ZINC001607025823 1164062503 /nfs/dbraw/zinc/06/25/03/1164062503.db2.gz LOYIUINSEXOBAX-UHFFFAOYSA-N -1 1 284.323 1.278 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001607116498 1164095864 /nfs/dbraw/zinc/09/58/64/1164095864.db2.gz MSKFPJCXARKCNH-QXFUBDJGSA-N -1 1 257.301 1.257 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001607116498 1164095867 /nfs/dbraw/zinc/09/58/67/1164095867.db2.gz MSKFPJCXARKCNH-QXFUBDJGSA-N -1 1 257.301 1.257 20 0 CDADMM c1cc(NC[C@H]2CC[C@H](C3CC3)O2)cc(-c2nnn[n-]2)n1 ZINC001607120600 1164103393 /nfs/dbraw/zinc/10/33/93/1164103393.db2.gz FINWVVPMYKXPPU-DGCLKSJQSA-N -1 1 286.339 1.053 20 0 CDADMM c1cc(NC[C@H]2CC[C@H](C3CC3)O2)cc(-c2nn[n-]n2)n1 ZINC001607120600 1164103395 /nfs/dbraw/zinc/10/33/95/1164103395.db2.gz FINWVVPMYKXPPU-DGCLKSJQSA-N -1 1 286.339 1.053 20 0 CDADMM c1ccc(CCNc2cccnc2-c2nnn[n-]2)nc1 ZINC001607128378 1164107194 /nfs/dbraw/zinc/10/71/94/1164107194.db2.gz MITBUKKRVHJDFU-UHFFFAOYSA-N -1 1 267.296 1.311 20 0 CDADMM c1ccc(CCNc2cccnc2-c2nn[n-]n2)nc1 ZINC001607128378 1164107200 /nfs/dbraw/zinc/10/72/00/1164107200.db2.gz MITBUKKRVHJDFU-UHFFFAOYSA-N -1 1 267.296 1.311 20 0 CDADMM O=C(Nc1cnc2ccnn2c1)c1ccc(F)c([O-])c1 ZINC001607172813 1164126294 /nfs/dbraw/zinc/12/62/94/1164126294.db2.gz YGYIJEYKXCXCHW-UHFFFAOYSA-N -1 1 272.239 1.826 20 0 CDADMM Cc1nc(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)c[nH]1 ZINC000339288586 1164320349 /nfs/dbraw/zinc/32/03/49/1164320349.db2.gz DALBPZNFEVEQJZ-UHFFFAOYSA-N -1 1 299.294 1.063 20 0 CDADMM Cn1c(CN[C@@H](C(=O)[O-])c2cccc(O)c2)cnc1Cl ZINC001608103023 1164410312 /nfs/dbraw/zinc/41/03/12/1164410312.db2.gz IEADYKNBQDOPHF-LLVKDONJSA-N -1 1 295.726 1.695 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)c3ccccn3)[nH]c21 ZINC001608524145 1164531811 /nfs/dbraw/zinc/53/18/11/1164531811.db2.gz GWBDXFNTOXFZEO-UHFFFAOYSA-N -1 1 282.259 1.908 20 0 CDADMM O=C([O-])[C@H](c1ccccc1F)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001608564647 1164547621 /nfs/dbraw/zinc/54/76/21/1164547621.db2.gz YCEKBJLITJMDLU-MJVIPROJSA-N -1 1 296.317 1.679 20 0 CDADMM O=C([O-])[C@@H]1Cc2ccc(O)cc2CN1Cc1ccccn1 ZINC001608652787 1164590355 /nfs/dbraw/zinc/59/03/55/1164590355.db2.gz LLDPVAHVVUVSDG-HNNXBMFYSA-N -1 1 284.315 1.799 20 0 CDADMM O=C([O-])C[C@]1(NCc2nc3c(s2)CCCC3)CCOC1 ZINC001608688772 1164605001 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CCc1c(C(=O)OCc2nn[n-]n2)cnn1C(C)(C)C ZINC001646881215 1168222049 /nfs/dbraw/zinc/22/20/49/1168222049.db2.gz DAIDEYIDTYZSLY-UHFFFAOYSA-N -1 1 278.316 1.071 20 0 CDADMM O=C([N-]c1ccns1)c1nc(-c2cnccn2)no1 ZINC001648182999 1169106458 /nfs/dbraw/zinc/10/64/58/1169106458.db2.gz XBFURLGKBZMLPJ-UHFFFAOYSA-N -1 1 274.265 1.235 20 0 CDADMM COC[C@@H](C)Oc1ccc(CNC[C@@H](F)C(=O)[O-])cc1 ZINC001649883031 1169466388 /nfs/dbraw/zinc/46/63/88/1169466388.db2.gz LILYPPOIGLACRP-ZWNOBZJWSA-N -1 1 285.315 1.613 20 0 CDADMM O=C([O-])c1nnc(NC(=O)c2cc(C(F)F)n[nH]2)s1 ZINC001574347155 1170954106 /nfs/dbraw/zinc/95/41/06/1170954106.db2.gz XFYHBKSPZDQXJI-UHFFFAOYSA-N -1 1 289.223 1.149 20 0 CDADMM O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)c1cccc2nn[nH]c21 ZINC001574398594 1170969499 /nfs/dbraw/zinc/96/94/99/1170969499.db2.gz FVSFRMAXJYKLML-SXMVTHIZSA-N -1 1 286.291 1.036 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cccc2cccnc21 ZINC001651044808 1171282025 /nfs/dbraw/zinc/28/20/25/1171282025.db2.gz YVECNEHWAMBQBY-UHFFFAOYSA-N -1 1 254.249 1.916 20 0 CDADMM Cn1nncc1NC(=O)c1ccc2ccccc2c1[O-] ZINC001652730973 1171468515 /nfs/dbraw/zinc/46/85/15/1171468515.db2.gz PRVSXTWZJLKZSY-UHFFFAOYSA-N -1 1 268.276 1.926 20 0 CDADMM O=C(Nc1ccncc1[O-])c1cc2cccn2cn1 ZINC001654301774 1171605316 /nfs/dbraw/zinc/60/53/16/1171605316.db2.gz VZUYUUZMDQRXNW-UHFFFAOYSA-N -1 1 254.249 1.109 20 0 CDADMM Cc1cc(-c2nn[n-]n2)c(=O)n(C[C@@H]2C[C@H]3C=C[C@@H]2C3)c1 ZINC001580609399 1172482603 /nfs/dbraw/zinc/48/26/03/1172482603.db2.gz WXAYWEKOOQMDFP-TUAOUCFPSA-N -1 1 283.335 1.549 20 0 CDADMM C1=C(c2ccccc2)CN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001588389566 1173059476 /nfs/dbraw/zinc/05/94/76/1173059476.db2.gz WKNNURBJYKOKLN-UHFFFAOYSA-N -1 1 291.318 1.560 20 0 CDADMM C1=C(c2ccccc2)CN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001588389566 1173059483 /nfs/dbraw/zinc/05/94/83/1173059483.db2.gz WKNNURBJYKOKLN-UHFFFAOYSA-N -1 1 291.318 1.560 20 0 CDADMM CC(=O)c1cc(COc2cccnc2-c2nnn[n-]2)on1 ZINC001588900542 1173110640 /nfs/dbraw/zinc/11/06/40/1173110640.db2.gz FKEGFAQRMHBLQM-UHFFFAOYSA-N -1 1 286.251 1.031 20 0 CDADMM CC(=O)c1cc(COc2cccnc2-c2nn[n-]n2)on1 ZINC001588900542 1173110646 /nfs/dbraw/zinc/11/06/46/1173110646.db2.gz FKEGFAQRMHBLQM-UHFFFAOYSA-N -1 1 286.251 1.031 20 0 CDADMM CC(C)[C@H]1CCN1C(=O)c1ccsc1-c1nnn[n-]1 ZINC001589509914 1173153146 /nfs/dbraw/zinc/15/31/46/1173153146.db2.gz IFJIPAVCSUXBJN-SECBINFHSA-N -1 1 277.353 1.799 20 0 CDADMM CC(C)[C@H]1CCN1C(=O)c1ccsc1-c1nn[n-]n1 ZINC001589509914 1173153150 /nfs/dbraw/zinc/15/31/50/1173153150.db2.gz IFJIPAVCSUXBJN-SECBINFHSA-N -1 1 277.353 1.799 20 0 CDADMM CC(C)C[C@H]1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001589572972 1173160829 /nfs/dbraw/zinc/16/08/29/1173160829.db2.gz SEYIJSZCPSFKDM-SNVBAGLBSA-N -1 1 289.339 1.968 20 0 CDADMM CC(C)C[C@H]1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001589572972 1173160837 /nfs/dbraw/zinc/16/08/37/1173160837.db2.gz SEYIJSZCPSFKDM-SNVBAGLBSA-N -1 1 289.339 1.968 20 0 CDADMM CC(C)c1ccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)nc1 ZINC001589768050 1173177275 /nfs/dbraw/zinc/17/72/75/1173177275.db2.gz GZDPSIDCRCIEBZ-UHFFFAOYSA-N -1 1 298.310 1.361 20 0 CDADMM C[C@H](COc1ccccc1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589887555 1173196648 /nfs/dbraw/zinc/19/66/48/1173196648.db2.gz ZIQHREFQDAXNAN-LLVKDONJSA-N -1 1 296.334 1.563 20 0 CDADMM C[C@H](COc1ccccc1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589887555 1173196652 /nfs/dbraw/zinc/19/66/52/1173196652.db2.gz ZIQHREFQDAXNAN-LLVKDONJSA-N -1 1 296.334 1.563 20 0 CDADMM C[C@@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)C(C)(C)O ZINC001589992391 1173223661 /nfs/dbraw/zinc/22/36/61/1173223661.db2.gz UTRBBIJGMKEHDH-SCSAIBSYSA-N -1 1 288.764 1.548 20 0 CDADMM C[C@@H](Sc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H](C)O ZINC001589994086 1173225342 /nfs/dbraw/zinc/22/53/42/1173225342.db2.gz DGOGEVMFBKQAOV-IUYQGCFVSA-N -1 1 291.789 1.838 20 0 CDADMM C[C@@H](O)C(C)(C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001589993104 1173225706 /nfs/dbraw/zinc/22/57/06/1173225706.db2.gz LDJBZMNSOTYGQX-SCSAIBSYSA-N -1 1 288.764 1.548 20 0 CDADMM C[C@@H](Oc1cnc(-c2nn[n-]n2)nc1)C(=O)C(C)(C)C ZINC001590034199 1173236498 /nfs/dbraw/zinc/23/64/98/1173236498.db2.gz GSKHFNMZJUUPKO-SSDOTTSWSA-N -1 1 276.300 1.039 20 0 CDADMM CC1(C(=O)n2ncc(-c3nn[n-]n3)c2N)CCCCC1 ZINC001590074402 1173244881 /nfs/dbraw/zinc/24/48/81/1173244881.db2.gz TYLKPVWVJXMYFA-UHFFFAOYSA-N -1 1 275.316 1.256 20 0 CDADMM CC1(C)C[C@@H]1CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590087789 1173251294 /nfs/dbraw/zinc/25/12/94/1173251294.db2.gz LPBKQMFJHLYBIA-MRVPVSSYSA-N -1 1 272.312 1.038 20 0 CDADMM CC1(C)C[C@@H]1CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590087789 1173251303 /nfs/dbraw/zinc/25/13/03/1173251303.db2.gz LPBKQMFJHLYBIA-MRVPVSSYSA-N -1 1 272.312 1.038 20 0 CDADMM CC1(C)C[C@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)CO1 ZINC001590084640 1173252165 /nfs/dbraw/zinc/25/21/65/1173252165.db2.gz HJZBMABMKZHPSE-ZETCQYMHSA-N -1 1 294.336 1.653 20 0 CDADMM CC1(C)C[C@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)CO1 ZINC001590084640 1173252167 /nfs/dbraw/zinc/25/21/67/1173252167.db2.gz HJZBMABMKZHPSE-ZETCQYMHSA-N -1 1 294.336 1.653 20 0 CDADMM CC1(CCNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001590124476 1173264877 /nfs/dbraw/zinc/26/48/77/1173264877.db2.gz BZENSBKIAQYMSD-UHFFFAOYSA-N -1 1 286.339 1.111 20 0 CDADMM CC1(CCNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001590124476 1173264881 /nfs/dbraw/zinc/26/48/81/1173264881.db2.gz BZENSBKIAQYMSD-UHFFFAOYSA-N -1 1 286.339 1.111 20 0 CDADMM CC1(CC(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)CC1 ZINC001590123567 1173265183 /nfs/dbraw/zinc/26/51/83/1173265183.db2.gz QFWLHBJFZVIVKD-UHFFFAOYSA-N -1 1 287.327 1.596 20 0 CDADMM CC1(Cn2cc(-c3nn[n-]n3)c3ccccc3c2=O)COC1 ZINC001590142024 1173268802 /nfs/dbraw/zinc/26/88/02/1173268802.db2.gz RVYVJFMJEJDGSK-UHFFFAOYSA-N -1 1 297.318 1.218 20 0 CDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)Cc2ccccc2C1 ZINC001590149226 1173272265 /nfs/dbraw/zinc/27/22/65/1173272265.db2.gz AIDQYHIOHZXUMR-UHFFFAOYSA-N -1 1 293.334 1.626 20 0 CDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)Cc2ccccc2C1 ZINC001590149226 1173272269 /nfs/dbraw/zinc/27/22/69/1173272269.db2.gz AIDQYHIOHZXUMR-UHFFFAOYSA-N -1 1 293.334 1.626 20 0 CDADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCS1 ZINC001590210102 1173295138 /nfs/dbraw/zinc/29/51/38/1173295138.db2.gz LWYYBHCFYHXBMG-SFYZADRCSA-N -1 1 277.357 1.353 20 0 CDADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCS1 ZINC001590210102 1173295144 /nfs/dbraw/zinc/29/51/44/1173295144.db2.gz LWYYBHCFYHXBMG-SFYZADRCSA-N -1 1 277.357 1.353 20 0 CDADMM C[C@@H]1C[C@@H](OC(=O)c2coc(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC001590213829 1173295656 /nfs/dbraw/zinc/29/56/56/1173295656.db2.gz KWXHZLVAJOWEHH-DIYOJNKTSA-N -1 1 292.295 1.573 20 0 CDADMM C[C@@H]1C[C@@H](OC(=O)c2coc(-c3nn[n-]n3)c2)C[C@H](C)O1 ZINC001590213829 1173295662 /nfs/dbraw/zinc/29/56/62/1173295662.db2.gz KWXHZLVAJOWEHH-DIYOJNKTSA-N -1 1 292.295 1.573 20 0 CDADMM C[C@H]1CC[C@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590239654 1173310358 /nfs/dbraw/zinc/31/03/58/1173310358.db2.gz JVFNWNDXMDEXOE-POYBYMJQSA-N -1 1 263.326 1.457 20 0 CDADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCC[C@H](C)C1 ZINC001590249128 1173319159 /nfs/dbraw/zinc/31/91/59/1173319159.db2.gz BPEBWAAFOCVNMZ-GARJFASQSA-N -1 1 287.371 1.705 20 0 CDADMM C[C@H]1CCCC[C@@H]1CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001590250030 1173320739 /nfs/dbraw/zinc/32/07/39/1173320739.db2.gz DMXOBEIYISFREI-DTWKUNHWSA-N -1 1 289.343 1.502 20 0 CDADMM C[C@@H]1CCCC[C@@H]1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001590254607 1173322926 /nfs/dbraw/zinc/32/29/26/1173322926.db2.gz XOWXXPFKCFLLRR-RKDXNWHRSA-N -1 1 261.333 1.828 20 0 CDADMM C[C@@H]1CCCC[C@@H]1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001590254607 1173322935 /nfs/dbraw/zinc/32/29/35/1173322935.db2.gz XOWXXPFKCFLLRR-RKDXNWHRSA-N -1 1 261.333 1.828 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001590269927 1173331224 /nfs/dbraw/zinc/33/12/24/1173331224.db2.gz IHBTXCCKLXRFJU-ZJUUUORDSA-N -1 1 286.339 1.380 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001590269927 1173331229 /nfs/dbraw/zinc/33/12/29/1173331229.db2.gz IHBTXCCKLXRFJU-ZJUUUORDSA-N -1 1 286.339 1.380 20 0 CDADMM C[C@H]1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)CCS1 ZINC001590270211 1173332101 /nfs/dbraw/zinc/33/21/01/1173332101.db2.gz PQQOXMRYXWJYIR-QMMMGPOBSA-N -1 1 293.352 1.427 20 0 CDADMM C[C@H]1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)CCS1 ZINC001590270211 1173332109 /nfs/dbraw/zinc/33/21/09/1173332109.db2.gz PQQOXMRYXWJYIR-QMMMGPOBSA-N -1 1 293.352 1.427 20 0 CDADMM C[C@@H]1CCN1c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590277522 1173337291 /nfs/dbraw/zinc/33/72/91/1173337291.db2.gz SUTAMYUPGVGFDP-SSDOTTSWSA-N -1 1 257.301 1.133 20 0 CDADMM C[C@@H]1CCN1c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590277522 1173337296 /nfs/dbraw/zinc/33/72/96/1173337296.db2.gz SUTAMYUPGVGFDP-SSDOTTSWSA-N -1 1 257.301 1.133 20 0 CDADMM C[C@@H]1OCC[C@H]1COc1cccc(F)c1-c1nnn[n-]1 ZINC001590340362 1173368178 /nfs/dbraw/zinc/36/81/78/1173368178.db2.gz YYJMIGVGSWCUFL-IUCAKERBSA-N -1 1 278.287 1.810 20 0 CDADMM CC[C@@H](COC)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590449068 1173414699 /nfs/dbraw/zinc/41/46/99/1173414699.db2.gz QIWMGTMUDXSERN-ZETCQYMHSA-N -1 1 281.341 1.083 20 0 CDADMM CC[C@@H](COC)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590449068 1173414702 /nfs/dbraw/zinc/41/47/02/1173414702.db2.gz QIWMGTMUDXSERN-ZETCQYMHSA-N -1 1 281.341 1.083 20 0 CDADMM CC[C@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccncc1 ZINC001590472827 1173424079 /nfs/dbraw/zinc/42/40/79/1173424079.db2.gz HVSDYVGSOAMVGQ-LBPRGKRZSA-N -1 1 281.323 1.642 20 0 CDADMM CC[C@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccncc1 ZINC001590472827 1173424080 /nfs/dbraw/zinc/42/40/80/1173424080.db2.gz HVSDYVGSOAMVGQ-LBPRGKRZSA-N -1 1 281.323 1.642 20 0 CDADMM CCC1(NC(=O)c2ccnc(-c3nnn[n-]3)c2)CCCC1 ZINC001590497949 1173436665 /nfs/dbraw/zinc/43/66/65/1173436665.db2.gz DKBIJWVYPCTLPE-UHFFFAOYSA-N -1 1 286.339 1.714 20 0 CDADMM CCC1(NC(=O)c2ccnc(-c3nn[n-]n3)c2)CCCC1 ZINC001590497949 1173436671 /nfs/dbraw/zinc/43/66/71/1173436671.db2.gz DKBIJWVYPCTLPE-UHFFFAOYSA-N -1 1 286.339 1.714 20 0 CDADMM CC[C@H]1C[C@@H](C)CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590502463 1173436860 /nfs/dbraw/zinc/43/68/60/1173436860.db2.gz AJRLCVARWWAOSJ-BDAKNGLRSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@H]1C[C@@H](C)CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590502463 1173436861 /nfs/dbraw/zinc/43/68/61/1173436861.db2.gz AJRLCVARWWAOSJ-BDAKNGLRSA-N -1 1 259.317 1.282 20 0 CDADMM CCCn1cc(Nc2cc(-c3nnn[n-]3)nc(CC)n2)cn1 ZINC001590663908 1173483311 /nfs/dbraw/zinc/48/33/11/1173483311.db2.gz BPJXPZMAPYRPAH-UHFFFAOYSA-N -1 1 299.342 1.569 20 0 CDADMM CCCn1cc(Nc2cc(-c3nn[n-]n3)nc(CC)n2)cn1 ZINC001590663908 1173483314 /nfs/dbraw/zinc/48/33/14/1173483314.db2.gz BPJXPZMAPYRPAH-UHFFFAOYSA-N -1 1 299.342 1.569 20 0 CDADMM CCN(CC)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001590689561 1173492660 /nfs/dbraw/zinc/49/26/60/1173492660.db2.gz VRIUPNNPEVQSQP-UHFFFAOYSA-N -1 1 258.738 1.823 20 0 CDADMM CCN(CC)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590689561 1173492666 /nfs/dbraw/zinc/49/26/66/1173492666.db2.gz VRIUPNNPEVQSQP-UHFFFAOYSA-N -1 1 258.738 1.823 20 0 CDADMM CCOC(=O)[C@@H](C)CNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001590749926 1173504179 /nfs/dbraw/zinc/50/41/79/1173504179.db2.gz DTEGVKIUTSBELF-VIFPVBQESA-N -1 1 290.327 1.181 20 0 CDADMM CCOC(=O)[C@@H](C)CNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001590749926 1173504181 /nfs/dbraw/zinc/50/41/81/1173504181.db2.gz DTEGVKIUTSBELF-VIFPVBQESA-N -1 1 290.327 1.181 20 0 CDADMM CCOC1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001590795919 1173513986 /nfs/dbraw/zinc/51/39/86/1173513986.db2.gz FBIJENOGGQDMHQ-UHFFFAOYSA-N -1 1 286.748 1.202 20 0 CDADMM CCOC1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001590795919 1173513990 /nfs/dbraw/zinc/51/39/90/1173513990.db2.gz FBIJENOGGQDMHQ-UHFFFAOYSA-N -1 1 286.748 1.202 20 0 CDADMM CCc1cc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)ccc1O ZINC001590881091 1173534196 /nfs/dbraw/zinc/53/41/96/1173534196.db2.gz LGXRXYDJOIHTEX-UHFFFAOYSA-N -1 1 299.294 1.110 20 0 CDADMM CCc1cc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)ccc1O ZINC001590881091 1173534199 /nfs/dbraw/zinc/53/41/99/1173534199.db2.gz LGXRXYDJOIHTEX-UHFFFAOYSA-N -1 1 299.294 1.110 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC(CC)C2)n1 ZINC001590904859 1173538069 /nfs/dbraw/zinc/53/80/69/1173538069.db2.gz LPOKLBZKHRPVFD-UHFFFAOYSA-N -1 1 259.317 1.065 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC(CC)C2)n1 ZINC001590904859 1173538077 /nfs/dbraw/zinc/53/80/77/1173538077.db2.gz LPOKLBZKHRPVFD-UHFFFAOYSA-N -1 1 259.317 1.065 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]3CCCC[C@@H]32)n1 ZINC001590907233 1173541844 /nfs/dbraw/zinc/54/18/44/1173541844.db2.gz SCIVJASZTOXBLI-JQWIXIFHSA-N -1 1 299.382 1.988 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]3CCCC[C@@H]32)n1 ZINC001590907233 1173541849 /nfs/dbraw/zinc/54/18/49/1173541849.db2.gz SCIVJASZTOXBLI-JQWIXIFHSA-N -1 1 299.382 1.988 20 0 CDADMM CCn1cc(Nc2snc(C)c2-c2nn[n-]n2)cn1 ZINC001590954886 1173549006 /nfs/dbraw/zinc/54/90/06/1173549006.db2.gz FCSHPZYKLGBLSK-UHFFFAOYSA-N -1 1 276.329 1.592 20 0 CDADMM CCn1cc(CNc2cccnc2-c2nnn[n-]2)cn1 ZINC001590954572 1173551135 /nfs/dbraw/zinc/55/11/35/1173551135.db2.gz ZVDMEVBBNSXGDX-UHFFFAOYSA-N -1 1 270.300 1.090 20 0 CDADMM CCn1cc(CNc2cccnc2-c2nn[n-]n2)cn1 ZINC001590954572 1173551139 /nfs/dbraw/zinc/55/11/39/1173551139.db2.gz ZVDMEVBBNSXGDX-UHFFFAOYSA-N -1 1 270.300 1.090 20 0 CDADMM CN(C(=O)Nc1ccnc(-c2nnn[n-]2)c1)C1CCCC1 ZINC001590985511 1173557273 /nfs/dbraw/zinc/55/72/73/1173557273.db2.gz RGUVNWMMZVKVOA-UHFFFAOYSA-N -1 1 287.327 1.668 20 0 CDADMM CN(C(=O)Nc1ccnc(-c2nn[n-]n2)c1)C1CCCC1 ZINC001590985511 1173557278 /nfs/dbraw/zinc/55/72/78/1173557278.db2.gz RGUVNWMMZVKVOA-UHFFFAOYSA-N -1 1 287.327 1.668 20 0 CDADMM COC(C)(C)C[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001591317460 1173604474 /nfs/dbraw/zinc/60/44/74/1173604474.db2.gz YTFJGXKHXMXLQA-SECBINFHSA-N -1 1 291.359 1.581 20 0 CDADMM COC(C)(C)C[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001591317460 1173604482 /nfs/dbraw/zinc/60/44/82/1173604482.db2.gz YTFJGXKHXMXLQA-SECBINFHSA-N -1 1 291.359 1.581 20 0 CDADMM COC1CC(CCNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001591347254 1173620748 /nfs/dbraw/zinc/62/07/48/1173620748.db2.gz BKLFBULCRXIQKO-UHFFFAOYSA-N -1 1 294.384 1.859 20 0 CDADMM COCC1(C(=O)Nc2ncc(-c3nnn[n-]3)s2)CCC1 ZINC001591387169 1173640165 /nfs/dbraw/zinc/64/01/65/1173640165.db2.gz QVTRCQYVWFCVAW-UHFFFAOYSA-N -1 1 294.340 1.078 20 0 CDADMM COCC1(C(=O)Nc2ncc(-c3nn[n-]n3)s2)CCC1 ZINC001591387169 1173640169 /nfs/dbraw/zinc/64/01/69/1173640169.db2.gz QVTRCQYVWFCVAW-UHFFFAOYSA-N -1 1 294.340 1.078 20 0 CDADMM COC[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001591394109 1173644656 /nfs/dbraw/zinc/64/46/56/1173644656.db2.gz MMSBJNCJMFUABP-SECBINFHSA-N -1 1 294.384 1.494 20 0 CDADMM COc1c(-c2nn[n-]n2)ccc(=O)n1C[C@@H](C)CC(C)C ZINC001591474330 1173658555 /nfs/dbraw/zinc/65/85/55/1173658555.db2.gz YQPZFMVACHEARQ-JTQLQIEISA-N -1 1 291.355 1.719 20 0 CDADMM CO[C@H]1C[C@@H](CNc2ccc(C)c(-c3nnn[n-]3)n2)C1 ZINC001591472757 1173659463 /nfs/dbraw/zinc/65/94/63/1173659463.db2.gz DFMXYCBDINCBQX-AOOOYVTPSA-N -1 1 274.328 1.407 20 0 CDADMM CO[C@H]1C[C@@H](CNc2ccc(C)c(-c3nn[n-]n3)n2)C1 ZINC001591472757 1173659469 /nfs/dbraw/zinc/65/94/69/1173659469.db2.gz DFMXYCBDINCBQX-AOOOYVTPSA-N -1 1 274.328 1.407 20 0 CDADMM COc1ccc(Cn2c(C)c(C)nc2-c2nn[n-]n2)cn1 ZINC001591604758 1173674408 /nfs/dbraw/zinc/67/44/08/1173674408.db2.gz DXSWYNAAILJEEP-UHFFFAOYSA-N -1 1 285.311 1.132 20 0 CDADMM CSC1(CNC(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001591688069 1173679475 /nfs/dbraw/zinc/67/94/75/1173679475.db2.gz CCEXYAZJZFEYSC-UHFFFAOYSA-N -1 1 279.325 1.085 20 0 CDADMM CSC1(CNC(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001591688069 1173679478 /nfs/dbraw/zinc/67/94/78/1173679478.db2.gz CCEXYAZJZFEYSC-UHFFFAOYSA-N -1 1 279.325 1.085 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCc2ccn(C(C)C)n2)n1 ZINC001591901105 1173744631 /nfs/dbraw/zinc/74/46/31/1173744631.db2.gz LQVIVTROPWOHJO-UHFFFAOYSA-N -1 1 299.342 1.355 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCc2ccn(C(C)C)n2)n1 ZINC001591901105 1173744635 /nfs/dbraw/zinc/74/46/35/1173744635.db2.gz LQVIVTROPWOHJO-UHFFFAOYSA-N -1 1 299.342 1.355 20 0 CDADMM Cc1cc(N2CCC[C@@H]2C[C@H](C)O)cc(-c2nnn[n-]2)n1 ZINC001592006955 1173771547 /nfs/dbraw/zinc/77/15/47/1173771547.db2.gz QCOYTSKTHNEZPH-WDEREUQCSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1cc(N2CCC[C@@H]2C[C@H](C)O)cc(-c2nn[n-]n2)n1 ZINC001592006955 1173771549 /nfs/dbraw/zinc/77/15/49/1173771549.db2.gz QCOYTSKTHNEZPH-WDEREUQCSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1cc(NCC2(CO)CCCC2)cc(-c2nnn[n-]2)n1 ZINC001592042461 1173784921 /nfs/dbraw/zinc/78/49/21/1173784921.db2.gz GPXPMCBRKORYBQ-UHFFFAOYSA-N -1 1 288.355 1.535 20 0 CDADMM Cc1cc(NCC2(CO)CCCC2)cc(-c2nn[n-]n2)n1 ZINC001592042461 1173784927 /nfs/dbraw/zinc/78/49/27/1173784927.db2.gz GPXPMCBRKORYBQ-UHFFFAOYSA-N -1 1 288.355 1.535 20 0 CDADMM Cc1cc(NCc2noc(C3CC3)n2)cc(-c2nnn[n-]2)n1 ZINC001592053563 1173788456 /nfs/dbraw/zinc/78/84/56/1173788456.db2.gz JJFJRRSUVJHFMY-UHFFFAOYSA-N -1 1 298.310 1.443 20 0 CDADMM Cc1cc(NCc2noc(C3CC3)n2)cc(-c2nn[n-]n2)n1 ZINC001592053563 1173788462 /nfs/dbraw/zinc/78/84/62/1173788462.db2.gz JJFJRRSUVJHFMY-UHFFFAOYSA-N -1 1 298.310 1.443 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H]1C[C@@H](C)O[C@H]1C ZINC001592114021 1173805439 /nfs/dbraw/zinc/80/54/39/1173805439.db2.gz MDYSOGQOSUXPTJ-VWYCJHECSA-N -1 1 288.355 1.796 20 0 CDADMM Cc1ccc(N2C[C@H](C)OC(C)(C)C2)nc1-c1nnn[n-]1 ZINC001592174516 1173823675 /nfs/dbraw/zinc/82/36/75/1173823675.db2.gz HZRNYUQRBLVFKJ-JTQLQIEISA-N -1 1 288.355 1.574 20 0 CDADMM Cc1ccc(N2C[C@H](C)OC(C)(C)C2)nc1-c1nn[n-]n1 ZINC001592174516 1173823679 /nfs/dbraw/zinc/82/36/79/1173823679.db2.gz HZRNYUQRBLVFKJ-JTQLQIEISA-N -1 1 288.355 1.574 20 0 CDADMM Cc1ccc(NCC[C@H]2CCOC2)nc1-c1nnn[n-]1 ZINC001592185504 1173831526 /nfs/dbraw/zinc/83/15/26/1173831526.db2.gz ALBOTNCSKAANSJ-JTQLQIEISA-N -1 1 274.328 1.409 20 0 CDADMM Cc1ccc(NCC[C@H]2CCOC2)nc1-c1nn[n-]n1 ZINC001592185504 1173831535 /nfs/dbraw/zinc/83/15/35/1173831535.db2.gz ALBOTNCSKAANSJ-JTQLQIEISA-N -1 1 274.328 1.409 20 0 CDADMM Cc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)o2)n1 ZINC001592230663 1173835624 /nfs/dbraw/zinc/83/56/24/1173835624.db2.gz CEXLELDLONZSGA-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001592230663 1173835628 /nfs/dbraw/zinc/83/56/28/1173835628.db2.gz CEXLELDLONZSGA-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1cnc(COc2cccnc2-c2nnn[n-]2)s1 ZINC001592295278 1173850541 /nfs/dbraw/zinc/85/05/41/1173850541.db2.gz YDFNPBLYANHLRG-UHFFFAOYSA-N -1 1 274.309 1.606 20 0 CDADMM Cc1cnc(COc2cccnc2-c2nn[n-]n2)s1 ZINC001592295278 1173850548 /nfs/dbraw/zinc/85/05/48/1173850548.db2.gz YDFNPBLYANHLRG-UHFFFAOYSA-N -1 1 274.309 1.606 20 0 CDADMM Cc1csc(=O)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001592311760 1173852350 /nfs/dbraw/zinc/85/23/50/1173852350.db2.gz FPFWEYUOTGPFJG-UHFFFAOYSA-N -1 1 263.282 1.040 20 0 CDADMM Cc1csc(=O)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001592311760 1173852355 /nfs/dbraw/zinc/85/23/55/1173852355.db2.gz FPFWEYUOTGPFJG-UHFFFAOYSA-N -1 1 263.282 1.040 20 0 CDADMM Cc1[nH]nc(NC(=O)C[C@@H](C)CC(C)C)c1-c1nn[n-]n1 ZINC001592327524 1173853934 /nfs/dbraw/zinc/85/39/34/1173853934.db2.gz DVYWPFOAEFQPNK-QMMMGPOBSA-N -1 1 291.359 1.909 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@H]2CC[C@H](C3CC3)O2)c1C ZINC001592339406 1173862033 /nfs/dbraw/zinc/86/20/33/1173862033.db2.gz KXRVGVFVXNNPLW-VXGBXAGGSA-N -1 1 288.355 1.638 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@H]2CC[C@H](C3CC3)O2)c1C ZINC001592339406 1173862035 /nfs/dbraw/zinc/86/20/35/1173862035.db2.gz KXRVGVFVXNNPLW-VXGBXAGGSA-N -1 1 288.355 1.638 20 0 CDADMM Cc1n[nH]c(=NOCCOC(C)C)c(-c2nn[n-]n2)c1C ZINC001592449035 1173894333 /nfs/dbraw/zinc/89/43/33/1173894333.db2.gz BXYRXHXCSHNXCS-UHFFFAOYSA-N -1 1 293.331 1.042 20 0 CDADMM Cc1nsc(NC[C@@H](C)CCCO)c1-c1nn[n-]n1 ZINC001592486746 1173903148 /nfs/dbraw/zinc/90/31/48/1173903148.db2.gz RNCFBXBTIDJCSV-ZETCQYMHSA-N -1 1 282.373 1.452 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1nccn1C1CC1 ZINC001592501491 1173907052 /nfs/dbraw/zinc/90/70/52/1173907052.db2.gz LSDHFFXAOQXXKT-UHFFFAOYSA-N -1 1 299.294 1.552 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1nccn1C1CC1 ZINC001592501491 1173907056 /nfs/dbraw/zinc/90/70/56/1173907056.db2.gz LSDHFFXAOQXXKT-UHFFFAOYSA-N -1 1 299.294 1.552 20 0 CDADMM Cc1occc1-c1noc(-c2cccc(-c3nnn[n-]3)n2)n1 ZINC001592510792 1173908464 /nfs/dbraw/zinc/90/84/64/1173908464.db2.gz WSMGDLTVRPEADK-UHFFFAOYSA-N -1 1 295.262 1.880 20 0 CDADMM Cc1occc1-c1noc(-c2cccc(-c3nn[n-]n3)n2)n1 ZINC001592510792 1173908469 /nfs/dbraw/zinc/90/84/69/1173908469.db2.gz WSMGDLTVRPEADK-UHFFFAOYSA-N -1 1 295.262 1.880 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CC[C@@H]1C ZINC001592499990 1173909111 /nfs/dbraw/zinc/90/91/11/1173909111.db2.gz UDCHRHSEVGFOPQ-IMTBSYHQSA-N -1 1 261.285 1.296 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CC[C@@H]1C ZINC001592499990 1173909119 /nfs/dbraw/zinc/90/91/19/1173909119.db2.gz UDCHRHSEVGFOPQ-IMTBSYHQSA-N -1 1 261.285 1.296 20 0 CDADMM FC(F)(F)c1ccc(Nc2cn[nH]c2)nc1-c1nnn[n-]1 ZINC001592620288 1173929839 /nfs/dbraw/zinc/92/98/39/1173929839.db2.gz FGZXTYVJGGCXBS-UHFFFAOYSA-N -1 1 296.216 1.747 20 0 CDADMM FC(F)(F)c1ccc(Nc2cn[nH]c2)nc1-c1nn[n-]n1 ZINC001592620288 1173929846 /nfs/dbraw/zinc/92/98/46/1173929846.db2.gz FGZXTYVJGGCXBS-UHFFFAOYSA-N -1 1 296.216 1.747 20 0 CDADMM Fc1ccc(Oc2cc(C3CC3)ncn2)c(-c2nn[n-]n2)n1 ZINC001592652841 1173956438 /nfs/dbraw/zinc/95/64/38/1173956438.db2.gz VYTZMJHUXUJMIQ-UHFFFAOYSA-N -1 1 299.269 1.861 20 0 CDADMM O=C(C[C@H]1CC=CCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592816720 1173995185 /nfs/dbraw/zinc/99/51/85/1173995185.db2.gz PIDMGWHBVXFRBO-JTQLQIEISA-N -1 1 284.323 1.947 20 0 CDADMM O=C(C[C@H]1CC=CCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592816720 1173995191 /nfs/dbraw/zinc/99/51/91/1173995191.db2.gz PIDMGWHBVXFRBO-JTQLQIEISA-N -1 1 284.323 1.947 20 0 CDADMM O=C(NC[C@@H]1CCCC12CC2)c1coc(-c2nnn[n-]2)c1 ZINC001593032328 1174016170 /nfs/dbraw/zinc/01/61/70/1174016170.db2.gz UBCCEHMCXRDMQQ-JTQLQIEISA-N -1 1 287.323 1.770 20 0 CDADMM O=C(NC[C@@H]1CCCC12CC2)c1coc(-c2nn[n-]n2)c1 ZINC001593032328 1174016177 /nfs/dbraw/zinc/01/61/77/1174016177.db2.gz UBCCEHMCXRDMQQ-JTQLQIEISA-N -1 1 287.323 1.770 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@H]1C=CCC1 ZINC001593137857 1174022960 /nfs/dbraw/zinc/02/29/60/1174022960.db2.gz XPYUWYHBATUDOF-QMMMGPOBSA-N -1 1 290.352 1.446 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC[C@@H]2CCC[C@@H]21 ZINC001593244120 1174040678 /nfs/dbraw/zinc/04/06/78/1174040678.db2.gz MBRBXWNHEDLQGB-ONGXEEELSA-N -1 1 299.338 1.668 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC[C@@H]2CCC[C@@H]21 ZINC001593244120 1174040682 /nfs/dbraw/zinc/04/06/82/1174040682.db2.gz MBRBXWNHEDLQGB-ONGXEEELSA-N -1 1 299.338 1.668 20 0 CDADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCCSC1 ZINC001593350920 1174067422 /nfs/dbraw/zinc/06/74/22/1174067422.db2.gz YWQRTPDENHSAQE-UHFFFAOYSA-N -1 1 293.327 1.542 20 0 CDADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCCSC1 ZINC001593350920 1174067427 /nfs/dbraw/zinc/06/74/27/1174067427.db2.gz YWQRTPDENHSAQE-UHFFFAOYSA-N -1 1 293.327 1.542 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCc2c1cccc2F ZINC001593339393 1174067444 /nfs/dbraw/zinc/06/74/44/1174067444.db2.gz QFBQAZQQPSIFNN-UHFFFAOYSA-N -1 1 299.265 1.802 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC2(CC2)C1 ZINC001593338881 1174068185 /nfs/dbraw/zinc/06/81/85/1174068185.db2.gz JEUWKHFSECXNHF-UHFFFAOYSA-N -1 1 261.310 1.164 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC2(CC2)C1 ZINC001593338881 1174068189 /nfs/dbraw/zinc/06/81/89/1174068189.db2.gz JEUWKHFSECXNHF-UHFFFAOYSA-N -1 1 261.310 1.164 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@H]1C(F)F ZINC001593369304 1174070102 /nfs/dbraw/zinc/07/01/02/1174070102.db2.gz HLQMSAUQWUKZLJ-ZETCQYMHSA-N -1 1 283.238 1.329 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@H]1C(F)F ZINC001593369304 1174070112 /nfs/dbraw/zinc/07/01/12/1174070112.db2.gz HLQMSAUQWUKZLJ-ZETCQYMHSA-N -1 1 283.238 1.329 20 0 CDADMM O[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)C1CC1 ZINC001593508191 1174092554 /nfs/dbraw/zinc/09/25/54/1174092554.db2.gz ZGKBVSYLUFRBPT-YFKPBYRVSA-N -1 1 286.748 1.159 20 0 CDADMM O[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)C1CC1 ZINC001593508191 1174092560 /nfs/dbraw/zinc/09/25/60/1174092560.db2.gz ZGKBVSYLUFRBPT-YFKPBYRVSA-N -1 1 286.748 1.159 20 0 CDADMM O[C@@H]1Cc2ccccc2[C@H]1Nc1cccnc1-c1nnn[n-]1 ZINC001593520258 1174098224 /nfs/dbraw/zinc/09/82/24/1174098224.db2.gz DVNVSAIYOUODIM-CHWSQXEVSA-N -1 1 294.318 1.332 20 0 CDADMM O[C@@H]1Cc2ccccc2[C@H]1Nc1cccnc1-c1nn[n-]n1 ZINC001593520258 1174098231 /nfs/dbraw/zinc/09/82/31/1174098231.db2.gz DVNVSAIYOUODIM-CHWSQXEVSA-N -1 1 294.318 1.332 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2C[C@H](C3CC3)[C@@H]2C2CC2)c1 ZINC001593550337 1174121608 /nfs/dbraw/zinc/12/16/08/1174121608.db2.gz RONDVISNHBQNBI-RISCZKNCSA-N -1 1 282.351 1.887 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2C[C@H](C3CC3)[C@@H]2C2CC2)c1 ZINC001593550337 1174121612 /nfs/dbraw/zinc/12/16/12/1174121612.db2.gz RONDVISNHBQNBI-RISCZKNCSA-N -1 1 282.351 1.887 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC[C@@H]1CC2(CCC2)CO1 ZINC001593550874 1174122959 /nfs/dbraw/zinc/12/29/59/1174122959.db2.gz DARLZULWKFFJQE-VIFPVBQESA-N -1 1 287.327 1.028 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC[C@@H]1CC2(CCC2)CO1 ZINC001593550874 1174122967 /nfs/dbraw/zinc/12/29/67/1174122967.db2.gz DARLZULWKFFJQE-VIFPVBQESA-N -1 1 287.327 1.028 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1N[C@H]1CCO[C@H](C2CC2)C1 ZINC001593550850 1174125136 /nfs/dbraw/zinc/12/51/36/1174125136.db2.gz CNTOOMDBJNEEPX-ONGXEEELSA-N -1 1 287.327 1.026 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1N[C@H]1CCO[C@H](C2CC2)C1 ZINC001593550850 1174125137 /nfs/dbraw/zinc/12/51/37/1174125137.db2.gz CNTOOMDBJNEEPX-ONGXEEELSA-N -1 1 287.327 1.026 20 0 CDADMM c1cc([C@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)n[nH]1 ZINC001593552439 1174126323 /nfs/dbraw/zinc/12/63/23/1174126323.db2.gz XNYGVQDGHWELDR-LLVKDONJSA-N -1 1 297.326 1.111 20 0 CDADMM c1cc([C@H]2CCCCN2c2cnc(-c3nn[n-]n3)cn2)n[nH]1 ZINC001593552439 1174126331 /nfs/dbraw/zinc/12/63/31/1174126331.db2.gz XNYGVQDGHWELDR-LLVKDONJSA-N -1 1 297.326 1.111 20 0 CDADMM c1cc(CCCNc2ccc(-c3nn[n-]n3)nn2)cs1 ZINC001593553680 1174126800 /nfs/dbraw/zinc/12/68/00/1174126800.db2.gz LORXWZXEFZKHKT-UHFFFAOYSA-N -1 1 287.352 1.763 20 0 CDADMM c1cc(CCCNc2ccc(-c3nnn[n-]3)nn2)cs1 ZINC001593553680 1174126795 /nfs/dbraw/zinc/12/67/95/1174126795.db2.gz LORXWZXEFZKHKT-UHFFFAOYSA-N -1 1 287.352 1.763 20 0 CDADMM c1c2ccccc2[nH]c1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001593577825 1174146350 /nfs/dbraw/zinc/14/63/50/1174146350.db2.gz BPHQEUUYRRFQQB-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1c2ccccc2[nH]c1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001593577825 1174146351 /nfs/dbraw/zinc/14/63/51/1174146351.db2.gz BPHQEUUYRRFQQB-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OCc2nc3c(o2)CCCC3)c1 ZINC001593584854 1174153608 /nfs/dbraw/zinc/15/36/08/1174153608.db2.gz PBWWDDVEVVJJOE-UHFFFAOYSA-N -1 1 298.306 1.708 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OCc2nc3c(o2)CCCC3)c1 ZINC001593584854 1174153614 /nfs/dbraw/zinc/15/36/14/1174153614.db2.gz PBWWDDVEVVJJOE-UHFFFAOYSA-N -1 1 298.306 1.708 20 0 CDADMM c1cncc([C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001593587707 1174154989 /nfs/dbraw/zinc/15/49/89/1174154989.db2.gz MZMKRAXPSIPPGW-NSHDSACASA-N -1 1 294.322 1.046 20 0 CDADMM c1cncc([C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001593587707 1174154992 /nfs/dbraw/zinc/15/49/92/1174154992.db2.gz MZMKRAXPSIPPGW-NSHDSACASA-N -1 1 294.322 1.046 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1N[C@H](C1CC1)C1CCC1 ZINC001593590166 1174158263 /nfs/dbraw/zinc/15/82/63/1174158263.db2.gz IPRGAVULMLBMMC-LBPRGKRZSA-N -1 1 271.328 1.647 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1N[C@H](C1CC1)C1CCC1 ZINC001593590166 1174158267 /nfs/dbraw/zinc/15/82/67/1174158267.db2.gz IPRGAVULMLBMMC-LBPRGKRZSA-N -1 1 271.328 1.647 20 0 CDADMM c1nn(C2CCCC2)cc1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001593590958 1174160192 /nfs/dbraw/zinc/16/01/92/1174160192.db2.gz GDJOPJGKXUAEQH-UHFFFAOYSA-N -1 1 297.326 1.712 20 0 CDADMM c1nn(C2CCCC2)cc1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001593590958 1174160210 /nfs/dbraw/zinc/16/02/10/1174160210.db2.gz GDJOPJGKXUAEQH-UHFFFAOYSA-N -1 1 297.326 1.712 20 0 CDADMM Cc1cc2cn[nH]c2c(C(=O)Nc2cc(C(=O)[O-])n(C)n2)c1 ZINC001600097816 1174361360 /nfs/dbraw/zinc/36/13/60/1174361360.db2.gz FPFDMBBJEJGRQG-UHFFFAOYSA-N -1 1 299.290 1.555 20 0 CDADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccnc2)c(=O)n1C ZINC001600418772 1174470770 /nfs/dbraw/zinc/47/07/70/1174470770.db2.gz HBARUCZCGYSEJC-CYBMUJFWSA-N -1 1 287.319 1.004 20 0 CDADMM CC(=O)Nc1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000095133205 1174496715 /nfs/dbraw/zinc/49/67/15/1174496715.db2.gz QIXGYFIEJHWPJD-UHFFFAOYSA-N -1 1 280.291 1.887 20 0 CDADMM CC(=O)Nc1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000095133205 1174496721 /nfs/dbraw/zinc/49/67/21/1174496721.db2.gz QIXGYFIEJHWPJD-UHFFFAOYSA-N -1 1 280.291 1.887 20 0 CDADMM Cc1ccccc1[C@H](C(=O)[O-])[N@H+](C)C[C@@H](C)C(=O)[O-] ZINC001600566272 1174506118 /nfs/dbraw/zinc/50/61/18/1174506118.db2.gz VGPKMTFCCJDWRQ-ZYHUDNBSSA-N -1 1 265.309 1.773 20 0 CDADMM Cc1cnc(C(C)(C)NCCC(=O)N(C)CC(=O)[O-])s1 ZINC001600617383 1174531941 /nfs/dbraw/zinc/53/19/41/1174531941.db2.gz GGQHXNMCDDISMK-UHFFFAOYSA-N -1 1 299.396 1.209 20 0 CDADMM Cc1cncc(CN2CCC([C@@H](O)C(=O)[O-])CC2)c1 ZINC001600627314 1174539695 /nfs/dbraw/zinc/53/96/95/1174539695.db2.gz JVDAPMZCCOHQKY-CYBMUJFWSA-N -1 1 264.325 1.048 20 0 CDADMM Cc1[nH+]c(N2CCC(C(=O)[O-])CC2)ccc1C(=O)[O-] ZINC001600707965 1174575197 /nfs/dbraw/zinc/57/51/97/1174575197.db2.gz DZVRSBXBBMPECM-UHFFFAOYSA-N -1 1 264.281 1.389 20 0 CDADMM NC(=O)C1(NCc2ccc(C(=O)[O-])c3cccnc23)CC1 ZINC001601139320 1174760290 /nfs/dbraw/zinc/76/02/90/1174760290.db2.gz RNKWGBNPJHRMCH-UHFFFAOYSA-N -1 1 285.303 1.041 20 0 CDADMM NCc1nccnc1NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001601191929 1174785081 /nfs/dbraw/zinc/78/50/81/1174785081.db2.gz IPXIKKCEGPGDQR-LLVKDONJSA-N -1 1 278.356 1.628 20 0 CDADMM O=C(/C=C\c1cc(C(=O)[O-])co1)OCCN1CCC1 ZINC001601235660 1174803927 /nfs/dbraw/zinc/80/39/27/1174803927.db2.gz DLBJRYFGRAFUKQ-IHWYPQMZSA-N -1 1 265.265 1.240 20 0 CDADMM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1ccc(F)cc1O ZINC001601571374 1174903151 /nfs/dbraw/zinc/90/31/51/1174903151.db2.gz KAZFEMNDMRXECC-APPZFPTMSA-N -1 1 253.229 1.124 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1ccc(C2CCC2)cc1 ZINC001601771829 1174999516 /nfs/dbraw/zinc/99/95/16/1174999516.db2.gz HIFAHMHDKKCELT-CABCVRRESA-N -1 1 275.348 1.974 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](O)CN1C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001601774694 1175000822 /nfs/dbraw/zinc/00/08/22/1175000822.db2.gz ZIHQQEWABKFGLC-ZQDZILKHSA-N -1 1 291.347 1.427 20 0 CDADMM O=C([O-])[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@H]1c1nnc[n-]1 ZINC001601812665 1175018440 /nfs/dbraw/zinc/01/84/40/1175018440.db2.gz IGZQOJYIQCMOQL-TUAOUCFPSA-N -1 1 278.356 1.833 20 0 CDADMM O=C([O-])[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@H]1c1nnc[n-]1 ZINC001601812665 1175018446 /nfs/dbraw/zinc/01/84/46/1175018446.db2.gz IGZQOJYIQCMOQL-TUAOUCFPSA-N -1 1 278.356 1.833 20 0 CDADMM O=C([O-])[C@@H]1CCN(Cc2cnon2)[C@H]2CCC[C@@H]21 ZINC001601828209 1175027489 /nfs/dbraw/zinc/02/74/89/1175027489.db2.gz OLLFICVNQCXLMK-MXWKQRLJSA-N -1 1 251.286 1.145 20 0 CDADMM O=C([O-])c1cc(CN[C@@H]2CCN(CC(F)(F)F)C2)on1 ZINC001602258123 1175185952 /nfs/dbraw/zinc/18/59/52/1175185952.db2.gz DGVGRRNBELTUPN-SSDOTTSWSA-N -1 1 293.245 1.099 20 0 CDADMM O=C([O-])c1ccc(Cl)c(CN2CCC[C@H](O)C2)c1 ZINC001602358497 1175222301 /nfs/dbraw/zinc/22/23/01/1175222301.db2.gz UFONDAVKLJRAIQ-NSHDSACASA-N -1 1 269.728 1.995 20 0 CDADMM O=C([O-])c1ccoc1C[N@H+]1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001602486337 1175258902 /nfs/dbraw/zinc/25/89/02/1175258902.db2.gz WWQLOJUEVUFELN-MRVPVSSYSA-N -1 1 292.295 1.181 20 0 CDADMM O=C([O-])c1cnc(CN2CCSC[C@@H]2C2CC2)cn1 ZINC001602520590 1175268708 /nfs/dbraw/zinc/26/87/08/1175268708.db2.gz QXWQOBQRYIHJOQ-GFCCVEGCSA-N -1 1 279.365 1.502 20 0 CDADMM C=C/C=C\CCNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001602806897 1175409996 /nfs/dbraw/zinc/40/99/96/1175409996.db2.gz APMFZMRTUUSDBS-ARJAWSKDSA-N -1 1 275.337 1.790 20 0 CDADMM C=C/C=C\CCNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001602806897 1175410000 /nfs/dbraw/zinc/41/00/00/1175410000.db2.gz APMFZMRTUUSDBS-ARJAWSKDSA-N -1 1 275.337 1.790 20 0 CDADMM CC(=CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccccc1 ZINC001602901764 1175448369 /nfs/dbraw/zinc/44/83/69/1175448369.db2.gz PLMBKIGSVCRINV-VQHVLOKHSA-N -1 1 295.306 1.632 20 0 CDADMM CC(=CC(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccccc1 ZINC001602901764 1175448371 /nfs/dbraw/zinc/44/83/71/1175448371.db2.gz PLMBKIGSVCRINV-VQHVLOKHSA-N -1 1 295.306 1.632 20 0 CDADMM C[C@@H](C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccco1 ZINC001603145707 1175500628 /nfs/dbraw/zinc/50/06/28/1175500628.db2.gz IDQSFUZJZDSCDB-LLVKDONJSA-N -1 1 294.351 1.391 20 0 CDADMM CC(C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001603151378 1175501966 /nfs/dbraw/zinc/50/19/66/1175501966.db2.gz MKHCAYMSBOGTHK-UHFFFAOYSA-N -1 1 273.344 1.317 20 0 CDADMM CC(C)(C)N1CC[C@H](NCc2ccc(C(=O)[O-])[nH]2)C1=O ZINC001603344648 1175544547 /nfs/dbraw/zinc/54/45/47/1175544547.db2.gz OXMJNNNHIKLOPU-JTQLQIEISA-N -1 1 279.340 1.202 20 0 CDADMM C[C@@H](CO)[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001603566447 1175565997 /nfs/dbraw/zinc/56/59/97/1175565997.db2.gz MLAPMZSKNVIHMZ-CRCLSJGQSA-N -1 1 288.764 1.405 20 0 CDADMM C[C@@H](CO)[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001603566447 1175566003 /nfs/dbraw/zinc/56/60/03/1175566003.db2.gz MLAPMZSKNVIHMZ-CRCLSJGQSA-N -1 1 288.764 1.405 20 0 CDADMM C[C@@H](Cc1ccsc1)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001603590138 1175571269 /nfs/dbraw/zinc/57/12/69/1175571269.db2.gz VRUVUKJWWUVRNO-QMMMGPOBSA-N -1 1 287.352 1.761 20 0 CDADMM C[C@@H](Cc1ccsc1)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001603590138 1175571275 /nfs/dbraw/zinc/57/12/75/1175571275.db2.gz VRUVUKJWWUVRNO-QMMMGPOBSA-N -1 1 287.352 1.761 20 0 CDADMM C[C@@H](Cc1ccccc1F)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001603583886 1175572949 /nfs/dbraw/zinc/57/29/49/1175572949.db2.gz ACOJOZIBFVESLO-JTQLQIEISA-N -1 1 298.325 1.866 20 0 CDADMM C[C@@H](Cc1ccccc1F)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001603583886 1175572952 /nfs/dbraw/zinc/57/29/52/1175572952.db2.gz ACOJOZIBFVESLO-JTQLQIEISA-N -1 1 298.325 1.866 20 0 CDADMM C[C@@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1ccc[nH]1 ZINC001603648994 1175586206 /nfs/dbraw/zinc/58/62/06/1175586206.db2.gz LRXHWTFLPPBYOG-SSDOTTSWSA-N -1 1 288.336 1.747 20 0 CDADMM CC1(C)C[C@@H]1CNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001603766591 1175623470 /nfs/dbraw/zinc/62/34/70/1175623470.db2.gz NUQNSQKVUPHJFF-SSDOTTSWSA-N -1 1 277.353 1.704 20 0 CDADMM CC1(C)C[C@@H]1CNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001603766591 1175623472 /nfs/dbraw/zinc/62/34/72/1175623472.db2.gz NUQNSQKVUPHJFF-SSDOTTSWSA-N -1 1 277.353 1.704 20 0 CDADMM CC1=NO[C@@H](COC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001603828742 1175646424 /nfs/dbraw/zinc/64/64/24/1175646424.db2.gz YJVIXJOIDZROKY-SSDOTTSWSA-N -1 1 293.308 1.250 20 0 CDADMM CC1=NO[C@@H](COC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001603828742 1175646428 /nfs/dbraw/zinc/64/64/28/1175646428.db2.gz YJVIXJOIDZROKY-SSDOTTSWSA-N -1 1 293.308 1.250 20 0 CDADMM CC1=C(C(=O)Nc2ncc(-c3nnn[n-]3)s2)CCC1 ZINC001603827484 1175647007 /nfs/dbraw/zinc/64/70/07/1175647007.db2.gz PAKLOBTYDAVGOE-UHFFFAOYSA-N -1 1 276.325 1.762 20 0 CDADMM CC1=C(C(=O)Nc2ncc(-c3nn[n-]n3)s2)CCC1 ZINC001603827484 1175647011 /nfs/dbraw/zinc/64/70/11/1175647011.db2.gz PAKLOBTYDAVGOE-UHFFFAOYSA-N -1 1 276.325 1.762 20 0 CDADMM C[C@H]1C[C@@H](CNC(=O)c2coc(-c3nnn[n-]3)c2)CCO1 ZINC001603850556 1175653147 /nfs/dbraw/zinc/65/31/47/1175653147.db2.gz HSVDNYDCVAUMPX-IUCAKERBSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@H]1C[C@@H](CNC(=O)c2coc(-c3nn[n-]n3)c2)CCO1 ZINC001603850556 1175653149 /nfs/dbraw/zinc/65/31/49/1175653149.db2.gz HSVDNYDCVAUMPX-IUCAKERBSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@@H]1C[C@H]1Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC001603870391 1175661200 /nfs/dbraw/zinc/66/12/00/1175661200.db2.gz HIGDBFGRFVMCAS-ZJUUUORDSA-N -1 1 281.319 1.838 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC(C)(C)O1 ZINC001603931428 1175689460 /nfs/dbraw/zinc/68/94/60/1175689460.db2.gz OMTRZBHBXKTYHX-QMMMGPOBSA-N -1 1 291.311 1.099 20 0 CDADMM 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/nfs/dbraw/zinc/02/60/48/964026048.db2.gz NHZKRCYGHVFONZ-LBPRGKRZSA-N -1 1 286.335 1.368 20 0 CDADMM CN(Cc1nccn1C)C(=O)c1cccc([O-])c1F ZINC001440648899 964125434 /nfs/dbraw/zinc/12/54/34/964125434.db2.gz UCBQLPNFLQJRAR-UHFFFAOYSA-N -1 1 263.272 1.537 20 0 CDADMM O=C(C[C@H]1C[C@H]1Cc1ccccc1)NCc1nn[n-]n1 ZINC001553108611 964533659 /nfs/dbraw/zinc/53/36/59/964533659.db2.gz FOFJEOZTDPWKRQ-VXGBXAGGSA-N -1 1 271.324 1.085 20 0 CDADMM O=C(OCc1nn[n-]n1)c1ccccc1OC1CC1 ZINC001345158315 964607828 /nfs/dbraw/zinc/60/78/28/964607828.db2.gz ZSTCATBGHFVENA-UHFFFAOYSA-N -1 1 260.253 1.098 20 0 CDADMM O=C(NCc1nccnc1Cl)c1cncc([O-])c1 ZINC001556548497 965057871 /nfs/dbraw/zinc/05/78/71/965057871.db2.gz VVWWFNCSIPPNTC-UHFFFAOYSA-N -1 1 264.672 1.161 20 0 CDADMM CSc1ncc(C(=O)N[C@@]2(C)CC2(C)C)c(=O)[n-]1 ZINC001557620394 965191763 /nfs/dbraw/zinc/19/17/63/965191763.db2.gz WDBSWBYRJKCUSH-LBPRGKRZSA-N -1 1 267.354 1.823 20 0 CDADMM Cc1cc(O)cc(NC(=O)CCCc2nn[n-]n2)c1 ZINC001557830213 965212454 /nfs/dbraw/zinc/21/24/54/965212454.db2.gz MCYVYPXPDHHHSI-UHFFFAOYSA-N -1 1 261.285 1.175 20 0 CDADMM CCOC1CC(N(C)C(=O)c2c(C)[nH]c(=O)[n-]c2=S)C1 ZINC001346984309 965320838 /nfs/dbraw/zinc/32/08/38/965320838.db2.gz QXQVTTJRUKUHKS-UHFFFAOYSA-N -1 1 297.380 1.419 20 0 CDADMM Cc1n[nH]c(C)c1CNC(=O)c1ccc([O-])c(F)c1 ZINC001347064415 965357122 /nfs/dbraw/zinc/35/71/22/965357122.db2.gz FFJSQORKFUPKRZ-UHFFFAOYSA-N -1 1 263.272 1.801 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC001558988540 965384616 /nfs/dbraw/zinc/38/46/16/965384616.db2.gz VASQCCYRBMLFQS-IAQYHMDHSA-N -1 1 269.304 1.958 20 0 CDADMM C[C@H]1COC2(CCCC2)CN1C(=O)c1cnncc1[O-] ZINC001550855649 966237144 /nfs/dbraw/zinc/23/71/44/966237144.db2.gz XEFFWNRDEBMSOF-JTQLQIEISA-N -1 1 277.324 1.356 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H]1CC[C@H](C)C1 ZINC001349316896 966314958 /nfs/dbraw/zinc/31/49/58/966314958.db2.gz NRTORCQHHLBVTF-XPUUQOCRSA-N -1 1 267.354 1.698 20 0 CDADMM Cc1ccnc(C(=O)NC[C@@H]2CC[C@@H](C3CC3)O2)c1[O-] ZINC001551078544 966422840 /nfs/dbraw/zinc/42/28/40/966422840.db2.gz LZKYBKAUFPBKFI-RYUDHWBXSA-N -1 1 276.336 1.783 20 0 CDADMM O=C(c1ncccc1[O-])N1C[C@@H](O)[C@@H](Cc2ccccc2)C1 ZINC001551127171 966448498 /nfs/dbraw/zinc/44/84/98/966448498.db2.gz GMRBKGBUCGHHBX-DZGCQCFKSA-N -1 1 298.342 1.463 20 0 CDADMM CCCOC(=O)[C@H](C)Sc1ncc(C)c(=O)[n-]1 ZINC001350120137 966586274 /nfs/dbraw/zinc/58/62/74/966586274.db2.gz SKPQWCGXTLLBNO-QMMMGPOBSA-N -1 1 256.327 1.924 20 0 CDADMM COc1ccccc1[C@@H](CO)NC(=O)c1ccc([O-])cn1 ZINC001446732635 966627780 /nfs/dbraw/zinc/62/77/80/966627780.db2.gz LQZAVAPNNZJSSB-CYBMUJFWSA-N -1 1 288.303 1.259 20 0 CDADMM CC(C)C(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C1CC1 ZINC001447086349 966696718 /nfs/dbraw/zinc/69/67/18/966696718.db2.gz IVKYDAATFKWJBE-LLVKDONJSA-N -1 1 291.351 1.068 20 0 CDADMM CC1(C)CN(C(=O)c2cnncc2[O-])[C@H]2CCC[C@H]21 ZINC001551615206 966739959 /nfs/dbraw/zinc/73/99/59/966739959.db2.gz MDFLVEVACCSWKG-MNOVXSKESA-N -1 1 261.325 1.833 20 0 CDADMM [O-]c1cnc(Cl)cc1NC(=S)NC[C@@H]1CCCO1 ZINC001200013601 967216494 /nfs/dbraw/zinc/21/64/94/967216494.db2.gz HDPNXHBHDMWWLZ-ZETCQYMHSA-N -1 1 287.772 1.906 20 0 CDADMM Cc1oc(C(C)C)cc1C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001548764172 967843276 /nfs/dbraw/zinc/84/32/76/967843276.db2.gz FUGAUSUASPUPDL-JTQLQIEISA-N -1 1 289.339 1.854 20 0 CDADMM Cc1oc2ccccc2c1C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001548765672 967845336 /nfs/dbraw/zinc/84/53/36/967845336.db2.gz QZJFFMCGKFPECS-JTQLQIEISA-N -1 1 297.318 1.884 20 0 CDADMM O=C(CCc1ccccc1F)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001548766646 967850635 /nfs/dbraw/zinc/85/06/35/967850635.db2.gz XBDNXRXETOXCMO-LLVKDONJSA-N -1 1 289.314 1.288 20 0 CDADMM Cc1cccc(C2(C(=O)N3CC[C@H](c4nn[n-]n4)C3)CC2)c1 ZINC001548767720 967853143 /nfs/dbraw/zinc/85/31/43/967853143.db2.gz HNYDIQKMHYHUGK-LBPRGKRZSA-N -1 1 297.362 1.556 20 0 CDADMM O=C([O-])[C@@]12COC[C@@H]1CN(Cc1c(F)ccc(O)c1F)C2 ZINC001549336922 968141327 /nfs/dbraw/zinc/14/13/27/968141327.db2.gz ALUIFTJKIFYZHC-RTHLEPHNSA-N -1 1 299.273 1.203 20 0 CDADMM O=C([O-])[C@H](CCO)NCc1c(F)ccc(F)c1Cl ZINC001353952094 968366573 /nfs/dbraw/zinc/36/65/73/968366573.db2.gz FNWADZGYPJLKNH-VIFPVBQESA-N -1 1 279.670 1.543 20 0 CDADMM Cc1cnc2c(c1)N(C(=O)c1cncc([O-])c1)CCN2 ZINC001454463711 968489330 /nfs/dbraw/zinc/48/93/30/968489330.db2.gz AHSPMLVQEGRGQR-UHFFFAOYSA-N -1 1 270.292 1.563 20 0 CDADMM O=C([N-]c1nc2ccccn2n1)c1noc2c1COCC2 ZINC001458287890 969278427 /nfs/dbraw/zinc/27/84/27/969278427.db2.gz XRADMMOMTBHGGT-UHFFFAOYSA-N -1 1 285.263 1.042 20 0 CDADMM Cc1cn2nc([N-][C@@H](C(N)=O)c3ccccn3)sc2n1 ZINC001458402039 969296274 /nfs/dbraw/zinc/29/62/74/969296274.db2.gz ZUNDLKAEKDOFBP-SECBINFHSA-N -1 1 288.336 1.133 20 0 CDADMM CC[C@H](C)C(=O)NC[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001532112144 969321192 /nfs/dbraw/zinc/32/11/92/969321192.db2.gz AOJGJXVNFNORFQ-QWRGUYRKSA-N -1 1 293.367 1.315 20 0 CDADMM CCC[C@@H](NC(=O)c1cccc2nccn21)c1nn[n-]n1 ZINC001465685645 969889619 /nfs/dbraw/zinc/88/96/19/969889619.db2.gz WCNOKPYDARDBMB-SECBINFHSA-N -1 1 285.311 1.119 20 0 CDADMM O=C(OCc1nn[n-]n1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC001515653681 969907776 /nfs/dbraw/zinc/90/77/76/969907776.db2.gz NMECNOQICBKXQS-HBNTYKKESA-N -1 1 264.329 1.849 20 0 CDADMM O=C(NCc1ccn2ccnc2c1)c1ccc([O-])cn1 ZINC001465976690 969910310 /nfs/dbraw/zinc/91/03/10/969910310.db2.gz SZCAKXOJFQXYJY-UHFFFAOYSA-N -1 1 268.276 1.365 20 0 CDADMM CCc1nc(SCc2cnn(C)n2)[n-]c(=O)c1C ZINC000849920763 970013593 /nfs/dbraw/zinc/01/35/93/970013593.db2.gz ANUCKUXMHNTCDT-UHFFFAOYSA-N -1 1 265.342 1.474 20 0 CDADMM COC(C)(C)C[C@@H](C)NC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001519627856 970101174 /nfs/dbraw/zinc/10/11/74/970101174.db2.gz JRXNQYPCVGHZSE-SSDOTTSWSA-N -1 1 299.396 1.713 20 0 CDADMM CCCCS[C@H](C)C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001520459132 970188737 /nfs/dbraw/zinc/18/87/37/970188737.db2.gz DPOCECFYDZKVHQ-NXEZZACHSA-N -1 1 283.401 1.437 20 0 CDADMM CCc1cc(C(=O)N=c2ccnc3n(C)[n-]cc2-3)no1 ZINC001361533370 970273281 /nfs/dbraw/zinc/27/32/81/970273281.db2.gz YYMBGLGMZPKDSU-UHFFFAOYSA-N -1 1 271.280 1.145 20 0 CDADMM Cc1c(C(=O)N(C)C[C@@H](C)C(=O)[O-])ccc2cncn21 ZINC001607503803 970391870 /nfs/dbraw/zinc/39/18/70/970391870.db2.gz WKZCYLIPAMUJMW-SECBINFHSA-N -1 1 275.308 1.435 20 0 CDADMM C[C@@H](C(=O)[O-])N(C(=O)c1ccc(CN(C)C)nc1)C1CC1 ZINC001609708695 970492093 /nfs/dbraw/zinc/49/20/93/970492093.db2.gz ZCTOADIAZDZZMB-JTQLQIEISA-N -1 1 291.351 1.221 20 0 CDADMM C[C@H](CC(N)=O)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001361794242 970537224 /nfs/dbraw/zinc/53/72/24/970537224.db2.gz AAGBXCXLCIJVJX-MRVPVSSYSA-N -1 1 288.307 1.232 20 0 CDADMM C[C@@](O)(CNCc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC001609972543 970623545 /nfs/dbraw/zinc/62/35/45/970623545.db2.gz NQDLFVYDPJOACP-CQSZACIVSA-N -1 1 292.360 1.735 20 0 CDADMM CC(C)[C@@H](F)C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001361871261 970627022 /nfs/dbraw/zinc/62/70/22/970627022.db2.gz QJJKAVOZIWQHAS-GFCCVEGCSA-N -1 1 293.302 1.711 20 0 CDADMM COc1ccc2c(ccn2CC(=O)Nc2c[n-][nH]c2=O)c1 ZINC001472570888 970668242 /nfs/dbraw/zinc/66/82/42/970668242.db2.gz SSLMNVNNVMVIGF-UHFFFAOYSA-N -1 1 286.291 1.717 20 0 CDADMM CCC(=O)c1ccc(O)c(NC(=O)[C@H](C)C(=O)[O-])c1 ZINC001610109340 970672739 /nfs/dbraw/zinc/67/27/39/970672739.db2.gz DHXDZRXTHWFQFP-ZETCQYMHSA-N -1 1 265.265 1.644 20 0 CDADMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2cn(C3CCC3)nn2)C1 ZINC001603367821 972871310 /nfs/dbraw/zinc/87/13/10/972871310.db2.gz KNBYIMVIXLWPKE-WDEREUQCSA-N -1 1 278.356 1.546 20 0 CDADMM Cc1cc(=O)[n-]c([C@H](C)[N@@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)n1 ZINC001605216849 972964784 /nfs/dbraw/zinc/96/47/84/972964784.db2.gz RWWXTJOUFVEBGY-MIMYLULJSA-N -1 1 279.340 1.594 20 0 CDADMM Cc1cc(=O)[n-]c([C@H](C)[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)n1 ZINC001605216849 972964786 /nfs/dbraw/zinc/96/47/86/972964786.db2.gz RWWXTJOUFVEBGY-MIMYLULJSA-N -1 1 279.340 1.594 20 0 CDADMM O=C([O-])c1c[nH]ccc1=NC(=O)c1csc([N+](=O)[O-])c1 ZINC000397208329 972979498 /nfs/dbraw/zinc/97/94/98/972979498.db2.gz UVBIUEQXLBXWCA-UHFFFAOYSA-N -1 1 293.260 1.424 20 0 CDADMM O=C([O-])/C=C\c1cc(C(=O)N[C@@H]2CN3CCC2CC3)co1 ZINC001606062633 973183038 /nfs/dbraw/zinc/18/30/38/973183038.db2.gz GWNUYWOVNYEXAS-UIIMQBOASA-N -1 1 290.319 1.201 20 0 CDADMM CS(=O)(=O)c1cccc(NC(=O)c2ccc([O-])cn2)c1 ZINC001417600430 973184914 /nfs/dbraw/zinc/18/49/14/973184914.db2.gz NRNPHHDCKBCLCC-UHFFFAOYSA-N -1 1 292.316 1.443 20 0 CDADMM C[C@@H]1CCN(Cc2ncccc2F)C[C@@H]1C(=O)[O-] ZINC001603432341 973187566 /nfs/dbraw/zinc/18/75/66/973187566.db2.gz QNTXCWAOGSKAFX-ZJUUUORDSA-N -1 1 252.289 1.763 20 0 CDADMM C[C@@H](c1nccc(N)n1)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001603460192 973281023 /nfs/dbraw/zinc/28/10/23/973281023.db2.gz BOBVTHJNVZNEAG-UTLUCORTSA-N -1 1 264.329 1.162 20 0 CDADMM Cc1n[nH]c(-c2ccccc2)c1NC(=O)COCC(=O)[O-] ZINC001605386176 973352994 /nfs/dbraw/zinc/35/29/94/973352994.db2.gz KVIUUHILKFFBPV-UHFFFAOYSA-N -1 1 289.291 1.425 20 0 CDADMM COc1ccc(CN2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1F ZINC000401871757 973474627 /nfs/dbraw/zinc/47/46/27/973474627.db2.gz CHRPYMZPJFAJGB-GHMZBOCLSA-N -1 1 283.299 1.102 20 0 CDADMM Cc1nonc1[C@@H](C)NC1CCC(C(=O)[O-])CC1 ZINC001605455406 973544661 /nfs/dbraw/zinc/54/46/61/973544661.db2.gz QOLYMDFRSLDTBL-CUUXFQNZSA-N -1 1 253.302 1.672 20 0 CDADMM C[C@@H](NCC[C@]1(O)CCOC1)c1ncc(C(=O)[O-])s1 ZINC000404217755 973710568 /nfs/dbraw/zinc/71/05/68/973710568.db2.gz YIBPMJMDNHWGDT-PELKAZGASA-N -1 1 286.353 1.033 20 0 CDADMM Cn1nccc1[C@H](NCc1ccc(CF)cc1)C(=O)[O-] ZINC001605567447 973813248 /nfs/dbraw/zinc/81/32/48/973813248.db2.gz FIINXXLKDMJDBJ-ZDUSSCGKSA-N -1 1 277.299 1.805 20 0 CDADMM O=C([O-])[C@@H]1CC[C@H](NCc2n[nH]cc2Br)C1 ZINC001606395685 973844784 /nfs/dbraw/zinc/84/47/84/973844784.db2.gz HXUQZJDMOOSNOC-RQJHMYQMSA-N -1 1 288.145 1.515 20 0 CDADMM O=C([O-])c1cccc(C(=O)NCc2n[nH]c(C3CC3)n2)c1 ZINC001606508617 974000306 /nfs/dbraw/zinc/00/03/06/974000306.db2.gz YQXHRJHMXQGZQV-UHFFFAOYSA-N -1 1 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CCc1nc(Nc2cnn(C(C)C)c2)cc(-c2nn[n-]n2)n1 ZINC001604570361 1163232897 /nfs/dbraw/zinc/23/28/97/1163232897.db2.gz CSZRCTKLTYMUFF-UHFFFAOYSA-N -1 1 299.342 1.740 20 0 CDADMM Cc1[nH]n(CC2(C)CCCC2)c(=O)c1CC(=O)[O-] ZINC001604615983 1163251245 /nfs/dbraw/zinc/25/12/45/1163251245.db2.gz FTSCIRNJXXHCIM-JTQLQIEISA-N -1 1 252.314 1.876 20 0 CDADMM CN(C(=O)C12CC(C1)C2)c1ccc(-c2nnn[n-]2)nc1 ZINC001604631437 1163256851 /nfs/dbraw/zinc/25/68/51/1163256851.db2.gz DCGDHPLFAVBBJV-UHFFFAOYSA-N -1 1 270.296 1.025 20 0 CDADMM CN(C(=O)C12CC(C1)C2)c1ccc(-c2nn[n-]n2)nc1 ZINC001604631437 1163256859 /nfs/dbraw/zinc/25/68/59/1163256859.db2.gz DCGDHPLFAVBBJV-UHFFFAOYSA-N -1 1 270.296 1.025 20 0 CDADMM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@H]2N1C/C=C/Cl ZINC001604712115 1163291227 /nfs/dbraw/zinc/29/12/27/1163291227.db2.gz QSQKISCUJWBRMC-PFOAROMPSA-N -1 1 259.733 1.834 20 0 CDADMM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC001604762951 1163314616 /nfs/dbraw/zinc/31/46/16/1163314616.db2.gz 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1163561966 /nfs/dbraw/zinc/56/19/66/1163561966.db2.gz BYAQWVXPCXGOMT-UHFFFAOYSA-N -1 1 251.286 1.060 20 0 CDADMM CCOC(=O)c1c(C)ccnc1CN1CC[C@@H](C(=O)[O-])C1 ZINC001605561412 1163609812 /nfs/dbraw/zinc/60/98/12/1163609812.db2.gz GYZJIEVWFHZGFC-LLVKDONJSA-N -1 1 292.335 1.473 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)Cc2cccnc2)n1 ZINC001605568112 1163612702 /nfs/dbraw/zinc/61/27/02/1163612702.db2.gz GKFASTXGAOBTQP-VIFPVBQESA-N -1 1 296.338 1.403 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)Cc2cccnc2)n1 ZINC001605568112 1163612707 /nfs/dbraw/zinc/61/27/07/1163612707.db2.gz GKFASTXGAOBTQP-VIFPVBQESA-N -1 1 296.338 1.403 20 0 CDADMM CCOc1ccc(NC(=O)CN[C@@H](CC)C(=O)[O-])cc1 ZINC001605692456 1163644365 /nfs/dbraw/zinc/64/43/65/1163644365.db2.gz CIQQGSLESASUFL-LBPRGKRZSA-N -1 1 280.324 1.477 20 0 CDADMM Cc1cc(N[C@H](C)CC(C)(C)O)nc(-c2nnn[n-]2)c1 ZINC001605721585 1163649338 /nfs/dbraw/zinc/64/93/38/1163649338.db2.gz ULXQBXVPXGXPLE-SECBINFHSA-N -1 1 276.344 1.532 20 0 CDADMM Cc1cc(N[C@H](C)CC(C)(C)O)nc(-c2nn[n-]n2)c1 ZINC001605721585 1163649340 /nfs/dbraw/zinc/64/93/40/1163649340.db2.gz ULXQBXVPXGXPLE-SECBINFHSA-N -1 1 276.344 1.532 20 0 CDADMM Cc1cc(NC[C@H]2CCOC2(C)C)cc(-c2nnn[n-]2)n1 ZINC001605732894 1163655423 /nfs/dbraw/zinc/65/54/23/1163655423.db2.gz XJODOXHJYWWXSL-SNVBAGLBSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(NC[C@H]2CCOC2(C)C)cc(-c2nn[n-]n2)n1 ZINC001605732894 1163655427 /nfs/dbraw/zinc/65/54/27/1163655427.db2.gz XJODOXHJYWWXSL-SNVBAGLBSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)ccc1F ZINC001605754995 1163660666 /nfs/dbraw/zinc/66/06/66/1163660666.db2.gz JGCDKXQAFGIESH-SECBINFHSA-N -1 1 299.313 1.699 20 0 CDADMM CCc1nnc([C@@H](C)OC(=O)[C@H](CC)C(=O)[O-])[nH]1 ZINC001605842630 1163685693 /nfs/dbraw/zinc/68/56/93/1163685693.db2.gz OKHFZSVMZRLJEW-RNFRBKRXSA-N -1 1 255.274 1.082 20 0 CDADMM CCc1nc(NC(=O)c2ccc(C(=O)[O-])cc2F)n[nH]1 ZINC001605844394 1163686792 /nfs/dbraw/zinc/68/67/92/1163686792.db2.gz 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/nfs/dbraw/zinc/72/37/17/1163723717.db2.gz QKTBSEIIXNWOPM-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM Cc1cnc(CCNc2ccc(-c3nnn[n-]3)nn2)c(C)c1 ZINC001605975584 1163733262 /nfs/dbraw/zinc/73/32/62/1163733262.db2.gz JUWGLMQMGBROMT-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1cnc(CCNc2ccc(-c3nn[n-]n3)nn2)c(C)c1 ZINC001605975584 1163733269 /nfs/dbraw/zinc/73/32/69/1163733269.db2.gz JUWGLMQMGBROMT-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1cnc(CSCc2ccc(-c3nnn[n-]3)o2)nc1 ZINC001605978676 1163734483 /nfs/dbraw/zinc/73/44/83/1163734483.db2.gz AYWRBRBYYGMPFJ-UHFFFAOYSA-N -1 1 288.336 1.992 20 0 CDADMM Cc1cnc(CSCc2ccc(-c3nn[n-]n3)o2)nc1 ZINC001605978676 1163734494 /nfs/dbraw/zinc/73/44/94/1163734494.db2.gz AYWRBRBYYGMPFJ-UHFFFAOYSA-N -1 1 288.336 1.992 20 0 CDADMM Cc1[nH]nc(NCc2ccc(Cl)nc2)c1-c1nnn[n-]1 ZINC001606014059 1163743415 /nfs/dbraw/zinc/74/34/15/1163743415.db2.gz OAHVMYPWWDBMRL-UHFFFAOYSA-N -1 1 290.718 1.559 20 0 CDADMM Cc1[nH]nc(NCc2ccc(Cl)nc2)c1-c1nn[n-]n1 ZINC001606014059 1163743421 /nfs/dbraw/zinc/74/34/21/1163743421.db2.gz OAHVMYPWWDBMRL-UHFFFAOYSA-N -1 1 290.718 1.559 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(Cc2cccc(Cl)n2)c1C ZINC001606021146 1163748415 /nfs/dbraw/zinc/74/84/15/1163748415.db2.gz KQJZPKFKPXVEAF-UHFFFAOYSA-N -1 1 289.730 1.777 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2cccc(Cl)n2)c1C ZINC001606021146 1163748424 /nfs/dbraw/zinc/74/84/24/1163748424.db2.gz KQJZPKFKPXVEAF-UHFFFAOYSA-N -1 1 289.730 1.777 20 0 CDADMM Cc1nsc(NC2CC(F)(F)C2)c1-c1nn[n-]n1 ZINC001606153976 1163788787 /nfs/dbraw/zinc/78/87/87/1163788787.db2.gz YFGFIFQTRUEKDF-UHFFFAOYSA-N -1 1 272.284 1.841 20 0 CDADMM CN(Cc1n[nH]c(=O)o1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC001606151077 1163788907 /nfs/dbraw/zinc/78/89/07/1163788907.db2.gz VEFPPOKWASYJOT-UHFFFAOYSA-N -1 1 281.243 1.245 20 0 CDADMM Cc1nsc(NC(=O)N2CC[C@@H](C)C2)c1-c1nnn[n-]1 ZINC001606149142 1163789053 /nfs/dbraw/zinc/78/90/53/1163789053.db2.gz GIZRMXIVJMBKBC-ZCFIWIBFSA-N -1 1 293.356 1.505 20 0 CDADMM Cc1nsc(NC(=O)N2CC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001606149142 1163789056 /nfs/dbraw/zinc/78/90/56/1163789056.db2.gz GIZRMXIVJMBKBC-ZCFIWIBFSA-N -1 1 293.356 1.505 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCOC1CC1 ZINC001606171279 1163796099 /nfs/dbraw/zinc/79/60/99/1163796099.db2.gz ZWKBNWLSDOFIQA-UHFFFAOYSA-N -1 1 278.268 1.104 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCOC1CC1 ZINC001606171279 1163796104 /nfs/dbraw/zinc/79/61/04/1163796104.db2.gz ZWKBNWLSDOFIQA-UHFFFAOYSA-N -1 1 278.268 1.104 20 0 CDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CC2=CCCCC2)n1 ZINC001606221781 1163818508 /nfs/dbraw/zinc/81/85/08/1163818508.db2.gz OXAWFTNATKNPDG-UHFFFAOYSA-N -1 1 287.327 1.429 20 0 CDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CC2=CCCCC2)n1 ZINC001606221781 1163818517 /nfs/dbraw/zinc/81/85/17/1163818517.db2.gz OXAWFTNATKNPDG-UHFFFAOYSA-N -1 1 287.327 1.429 20 0 CDADMM NC(=O)c1cccc(Oc2ccncc2-c2nn[n-]n2)c1 ZINC001606433654 1163895808 /nfs/dbraw/zinc/89/58/08/1163895808.db2.gz UFAPUIHKNRFWEF-UHFFFAOYSA-N -1 1 282.263 1.153 20 0 CDADMM O=C(/C=C\C1CC1)OCc1ccc(-c2nnn[n-]2)o1 ZINC001606479823 1163912622 /nfs/dbraw/zinc/91/26/22/1163912622.db2.gz CVEJAXRBFXWQHO-UTCJRWHESA-N -1 1 260.253 1.469 20 0 CDADMM O=C(/C=C\C1CC1)OCc1ccc(-c2nn[n-]n2)o1 ZINC001606479823 1163912633 /nfs/dbraw/zinc/91/26/33/1163912633.db2.gz CVEJAXRBFXWQHO-UTCJRWHESA-N -1 1 260.253 1.469 20 0 CDADMM O=C(N[C@@H]1CCC(F)(F)C1)c1csc(-c2nn[n-]n2)c1 ZINC001606656665 1163949198 /nfs/dbraw/zinc/94/91/98/1163949198.db2.gz MQQDGYFTMRCMAO-SSDOTTSWSA-N -1 1 299.306 1.846 20 0 CDADMM O=C(OCC1CCCCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606967174 1164042231 /nfs/dbraw/zinc/04/22/31/1164042231.db2.gz AMOSRQXTNZEHTI-UHFFFAOYSA-N -1 1 287.323 1.999 20 0 CDADMM O=C(OCC1CCCCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606967174 1164042240 /nfs/dbraw/zinc/04/22/40/1164042240.db2.gz AMOSRQXTNZEHTI-UHFFFAOYSA-N -1 1 287.323 1.999 20 0 CDADMM c1cc(N2CCCC[C@H]2C2CCC2)nc(-c2nn[n-]n2)n1 ZINC001607119547 1164101612 /nfs/dbraw/zinc/10/16/12/1164101612.db2.gz GKSPVWIBJZQBND-NSHDSACASA-N -1 1 285.355 1.816 20 0 CDADMM c1cc(Oc2cnc(-c3nnn[n-]3)cn2)c2c(c1)OCCO2 ZINC001607123460 1164106398 /nfs/dbraw/zinc/10/63/98/1164106398.db2.gz KUZFTLDMHDBNLQ-UHFFFAOYSA-N -1 1 298.262 1.220 20 0 CDADMM c1cc(Oc2cnc(-c3nn[n-]n3)cn2)c2c(c1)OCCO2 ZINC001607123460 1164106399 /nfs/dbraw/zinc/10/63/99/1164106399.db2.gz KUZFTLDMHDBNLQ-UHFFFAOYSA-N -1 1 298.262 1.220 20 0 CDADMM COc1ccc([C@@H](NCc2cnn(C)c2)C(=O)[O-])cc1O ZINC001607236157 1164134374 /nfs/dbraw/zinc/13/43/74/1164134374.db2.gz YEROTRHWGMVUBA-CYBMUJFWSA-N -1 1 291.307 1.050 20 0 CDADMM C[C@H](C(=O)Nc1cc(CCC(=O)[O-])ccc1O)N(C)C ZINC001607450876 1164184947 /nfs/dbraw/zinc/18/49/47/1164184947.db2.gz SYMMJUZEEULVAR-SECBINFHSA-N -1 1 280.324 1.298 20 0 CDADMM Cc1nc[nH]c1C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC001136559058 1164225661 /nfs/dbraw/zinc/22/56/61/1164225661.db2.gz MAUAQQFFMQSKGT-UHFFFAOYSA-N -1 1 285.263 1.314 20 0 CDADMM Cc1cccn2cc(CN3CC4CC3(C(=O)[O-])C4)nc12 ZINC001607887603 1164320751 /nfs/dbraw/zinc/32/07/51/1164320751.db2.gz NRQOJCVOAWFVKY-UHFFFAOYSA-N -1 1 271.320 1.692 20 0 CDADMM Cc1[nH]ncc1CNC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001607938840 1164344729 /nfs/dbraw/zinc/34/47/29/1164344729.db2.gz BZLIFQDWSAOZKO-UHFFFAOYSA-N -1 1 275.268 1.133 20 0 CDADMM Cc1nccnc1CCN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001607991846 1164366602 /nfs/dbraw/zinc/36/66/02/1164366602.db2.gz ZWIWDNZKFMMWEN-SECBINFHSA-N -1 1 292.364 1.833 20 0 CDADMM Cc1occc1C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001608055772 1164395973 /nfs/dbraw/zinc/39/59/73/1164395973.db2.gz NVTQMYAJQMAZEA-JTQLQIEISA-N -1 1 280.324 1.209 20 0 CDADMM Cn1c(CN2CCC[C@H](n3ccnn3)C2)ccc1C(=O)[O-] ZINC001608088272 1164404980 /nfs/dbraw/zinc/40/49/80/1164404980.db2.gz YLRSVPXTMKQTSF-LBPRGKRZSA-N -1 1 289.339 1.152 20 0 CDADMM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1cccc(F)c1O)C2 ZINC001608493259 1164527326 /nfs/dbraw/zinc/52/73/26/1164527326.db2.gz WFMWUQSKAZNFHU-KXEKKFMESA-N -1 1 279.267 1.514 20 0 CDADMM O=C([O-])[C@H]1CCC[C@H](C(=O)NC2(c3nnc[nH]3)CCC2)C1 ZINC001608621160 1164576547 /nfs/dbraw/zinc/57/65/47/1164576547.db2.gz ALPAFQMZLIOODU-UWVGGRQHSA-N -1 1 292.339 1.191 20 0 CDADMM O=C([O-])c1ccc(CN2CCC(CO)(CO)C2)cc1Cl ZINC001608881565 1164672803 /nfs/dbraw/zinc/67/28/03/1164672803.db2.gz FKCVGLRETJVVQP-UHFFFAOYSA-N -1 1 299.754 1.215 20 0 CDADMM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cn1 ZINC001608902356 1164680845 /nfs/dbraw/zinc/68/08/45/1164680845.db2.gz ZOBUJKLFUVSJSR-RKDXNWHRSA-N -1 1 272.264 1.245 20 0 CDADMM O=C([O-])[C@H](OC(=O)c1[nH]nc2c1CCC2)c1ccsc1 ZINC001609012844 1164723134 /nfs/dbraw/zinc/72/31/34/1164723134.db2.gz ODMZQVZWAPYILX-LLVKDONJSA-N -1 1 292.316 1.943 20 0 CDADMM C[C@H](CCO)SCc1nc(-c2nnn[n-]2)cs1 ZINC001609111465 1164775522 /nfs/dbraw/zinc/77/55/22/1164775522.db2.gz UDJFHTZWWUKTCL-ZCFIWIBFSA-N -1 1 271.371 1.327 20 0 CDADMM C[C@H](CCO)SCc1nc(-c2nn[n-]n2)cs1 ZINC001609111465 1164775528 /nfs/dbraw/zinc/77/55/28/1164775528.db2.gz UDJFHTZWWUKTCL-ZCFIWIBFSA-N -1 1 271.371 1.327 20 0 CDADMM CC1(COC(=O)c2csc(-c3nnn[n-]3)c2)COC1 ZINC001609150076 1164784501 /nfs/dbraw/zinc/78/45/01/1164784501.db2.gz KZHPRQWHOAOJSC-UHFFFAOYSA-N -1 1 280.309 1.122 20 0 CDADMM CC1(COC(=O)c2csc(-c3nn[n-]n3)c2)COC1 ZINC001609150076 1164784504 /nfs/dbraw/zinc/78/45/04/1164784504.db2.gz KZHPRQWHOAOJSC-UHFFFAOYSA-N -1 1 280.309 1.122 20 0 CDADMM C[C@@]1(CNc2ccnc(-c3nnn[n-]3)c2)CCCS1 ZINC001609149512 1164797395 /nfs/dbraw/zinc/79/73/95/1164797395.db2.gz PAOBSCLUWNVHRG-LBPRGKRZSA-N -1 1 276.369 1.381 20 0 CDADMM C[C@@]1(CNc2ccnc(-c3nn[n-]n3)c2)CCCS1 ZINC001609149512 1164797404 /nfs/dbraw/zinc/79/74/04/1164797404.db2.gz PAOBSCLUWNVHRG-LBPRGKRZSA-N -1 1 276.369 1.381 20 0 CDADMM C[C@@H]1C[C@H](C)[C@@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001609155050 1164801882 /nfs/dbraw/zinc/80/18/82/1164801882.db2.gz UOXMHSXZOMTZBK-KXUCPTDWSA-N -1 1 273.344 1.528 20 0 CDADMM C[C@@H]1C[C@H](C)[C@@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001609155050 1164801891 /nfs/dbraw/zinc/80/18/91/1164801891.db2.gz UOXMHSXZOMTZBK-KXUCPTDWSA-N -1 1 273.344 1.528 20 0 CDADMM C[C@@H]1CC[C@H](COC(=O)c2csc(-c3nnn[n-]3)c2)O1 ZINC001609160459 1164804564 /nfs/dbraw/zinc/80/45/64/1164804564.db2.gz FOITXNVGWSGDHK-VXNVDRBHSA-N -1 1 294.336 1.653 20 0 CDADMM C[C@@H]1CC[C@H](COC(=O)c2csc(-c3nn[n-]n3)c2)O1 ZINC001609160459 1164804575 /nfs/dbraw/zinc/80/45/75/1164804575.db2.gz FOITXNVGWSGDHK-VXNVDRBHSA-N -1 1 294.336 1.653 20 0 CDADMM C[C@@H]1CCC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001609163217 1164809374 /nfs/dbraw/zinc/80/93/74/1164809374.db2.gz USLPDSXGVRWIJY-NXEZZACHSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1CCC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001609163217 1164809379 /nfs/dbraw/zinc/80/93/79/1164809379.db2.gz USLPDSXGVRWIJY-NXEZZACHSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@H]1CCC[C@@H]1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609163931 1164810601 /nfs/dbraw/zinc/81/06/01/1164810601.db2.gz IQQPORPDWAWGSB-KWQFWETISA-N -1 1 289.314 1.924 20 0 CDADMM C[C@H]1CCC[C@@H]1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609163931 1164810610 /nfs/dbraw/zinc/81/06/10/1164810610.db2.gz IQQPORPDWAWGSB-KWQFWETISA-N -1 1 289.314 1.924 20 0 CDADMM CC[C@@H](C)[C@](C)(O)CNc1cccnc1-c1nnn[n-]1 ZINC001609183462 1164823860 /nfs/dbraw/zinc/82/38/60/1164823860.db2.gz CBNNWDWDLJCITC-NOZJJQNGSA-N -1 1 276.344 1.471 20 0 CDADMM CC[C@@H](C)[C@](C)(O)CNc1cccnc1-c1nn[n-]n1 ZINC001609183462 1164823867 /nfs/dbraw/zinc/82/38/67/1164823867.db2.gz CBNNWDWDLJCITC-NOZJJQNGSA-N -1 1 276.344 1.471 20 0 CDADMM CC[C@H](CO)N(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001609191067 1164834561 /nfs/dbraw/zinc/83/45/61/1164834561.db2.gz FPKTYHAJSORPKN-SSDOTTSWSA-N -1 1 282.735 1.122 20 0 CDADMM CC[C@H](CO)N(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001609191067 1164834567 /nfs/dbraw/zinc/83/45/67/1164834567.db2.gz FPKTYHAJSORPKN-SSDOTTSWSA-N -1 1 282.735 1.122 20 0 CDADMM CC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001609199001 1164838881 /nfs/dbraw/zinc/83/88/81/1164838881.db2.gz MXAFOEBHBQXXQS-BDAKNGLRSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609200849 1164840980 /nfs/dbraw/zinc/84/09/80/1164840980.db2.gz LVRNCVMVMKBKIS-SSDOTTSWSA-N -1 1 263.326 1.553 20 0 CDADMM CC[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609200849 1164840988 /nfs/dbraw/zinc/84/09/88/1164840988.db2.gz LVRNCVMVMKBKIS-SSDOTTSWSA-N -1 1 263.326 1.553 20 0 CDADMM CCc1ccc(CNc2ncncc2-c2nn[n-]n2)s1 ZINC001609251865 1164864617 /nfs/dbraw/zinc/86/46/17/1164864617.db2.gz QGBXXJYJUQRVSQ-UHFFFAOYSA-N -1 1 287.352 1.893 20 0 CDADMM CCc1nc(C)c(CNc2cnc(-c3nnn[n-]3)cn2)o1 ZINC001609254438 1164866799 /nfs/dbraw/zinc/86/67/99/1164866799.db2.gz GBLKKKRKRXJWGE-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CCc1nc(C)c(CNc2cnc(-c3nn[n-]n3)cn2)o1 ZINC001609254438 1164866807 /nfs/dbraw/zinc/86/68/07/1164866807.db2.gz GBLKKKRKRXJWGE-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CO[C@H]1CCN(c2cc(C)nc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001609314749 1164894728 /nfs/dbraw/zinc/89/47/28/1164894728.db2.gz RYNWGPKMZSLDPC-RNCFNFMXSA-N -1 1 288.355 1.431 20 0 CDADMM CO[C@H]1CCN(c2cc(C)nc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001609314749 1164894733 /nfs/dbraw/zinc/89/47/33/1164894733.db2.gz RYNWGPKMZSLDPC-RNCFNFMXSA-N -1 1 288.355 1.431 20 0 CDADMM COc1ccc(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)cc1 ZINC001609352002 1164909773 /nfs/dbraw/zinc/90/97/73/1164909773.db2.gz XOQCADZAYVGBIH-UHFFFAOYSA-N -1 1 299.294 1.159 20 0 CDADMM Cc1ccc(-c2nnn[n-]2)nc1N(C)Cc1ccco1 ZINC001609417022 1164939530 /nfs/dbraw/zinc/93/95/30/1164939530.db2.gz GSRIXLHJVPQUCM-UHFFFAOYSA-N -1 1 270.296 1.800 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N(C)Cc1ccco1 ZINC001609417022 1164939533 /nfs/dbraw/zinc/93/95/33/1164939533.db2.gz GSRIXLHJVPQUCM-UHFFFAOYSA-N -1 1 270.296 1.800 20 0 CDADMM Cc1ccc(NC[C@@H]2CCCOC2)nc1-c1nnn[n-]1 ZINC001609426569 1164942333 /nfs/dbraw/zinc/94/23/33/1164942333.db2.gz ZWXUNECKBCBQSD-JTQLQIEISA-N -1 1 274.328 1.409 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@H]2C[C@@H]2C(C)C)c1-c1nn[n-]n1 ZINC001609444570 1164951855 /nfs/dbraw/zinc/95/18/55/1164951855.db2.gz IXWKRSZVEBFIRA-SFYZADRCSA-N -1 1 275.316 1.129 20 0 CDADMM Cc1occc1[S@@](=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC001609470653 1164964434 /nfs/dbraw/zinc/96/44/34/1164964434.db2.gz HLXGMGFHRIGJOI-FQEVSTJZSA-N -1 1 289.320 1.471 20 0 CDADMM Cc1occc1[S@@](=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC001609470653 1164964439 /nfs/dbraw/zinc/96/44/39/1164964439.db2.gz HLXGMGFHRIGJOI-FQEVSTJZSA-N -1 1 289.320 1.471 20 0 CDADMM Fc1cccc(SCCn2cccn2)c1-c1nn[n-]n1 ZINC001609492067 1164976383 /nfs/dbraw/zinc/97/63/83/1164976383.db2.gz AWYWNVLHAJLEMT-UHFFFAOYSA-N -1 1 290.327 1.995 20 0 CDADMM O=C(NCC(C1CC1)C1CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609544511 1164985665 /nfs/dbraw/zinc/98/56/65/1164985665.db2.gz VYFYTYMZBSGQSX-UHFFFAOYSA-N -1 1 298.350 1.428 20 0 CDADMM O=C(NCC(C1CC1)C1CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609544511 1164985669 /nfs/dbraw/zinc/98/56/69/1164985669.db2.gz VYFYTYMZBSGQSX-UHFFFAOYSA-N -1 1 298.350 1.428 20 0 CDADMM O=C(OC[C@@H]1CCCS1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609574112 1164994907 /nfs/dbraw/zinc/99/49/07/1164994907.db2.gz HIBNPIVQIWBRPI-VIFPVBQESA-N -1 1 291.336 1.314 20 0 CDADMM O=C(OC[C@@H]1CCCS1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609574112 1164994913 /nfs/dbraw/zinc/99/49/13/1164994913.db2.gz HIBNPIVQIWBRPI-VIFPVBQESA-N -1 1 291.336 1.314 20 0 CDADMM c1cc(NCc2nnc(C3CC3)o2)nc(-c2nnn[n-]2)c1 ZINC001609614907 1165012785 /nfs/dbraw/zinc/01/27/85/1165012785.db2.gz VUFDHCRSYFYWQA-UHFFFAOYSA-N -1 1 284.283 1.134 20 0 CDADMM c1cc(NCc2nnc(C3CC3)o2)nc(-c2nn[n-]n2)c1 ZINC001609614907 1165012793 /nfs/dbraw/zinc/01/27/93/1165012793.db2.gz VUFDHCRSYFYWQA-UHFFFAOYSA-N -1 1 284.283 1.134 20 0 CDADMM c1ncc(N2CCC[C@H]3CCC[C@@H]32)nc1-c1nnn[n-]1 ZINC001609620896 1165017999 /nfs/dbraw/zinc/01/79/99/1165017999.db2.gz IPWGVXCDKXUMBU-KOLCDFICSA-N -1 1 271.328 1.426 20 0 CDADMM c1ncc(N2CCC[C@H]3CCC[C@@H]32)nc1-c1nn[n-]n1 ZINC001609620896 1165018002 /nfs/dbraw/zinc/01/80/02/1165018002.db2.gz IPWGVXCDKXUMBU-KOLCDFICSA-N -1 1 271.328 1.426 20 0 CDADMM C[C@H]1CN(Cc2ccccc2C(=O)[O-])C[C@]2(CCOC2)O1 ZINC001609871198 1165123214 /nfs/dbraw/zinc/12/32/14/1165123214.db2.gz VFKIVFBFKIZPLL-LRDDRELGSA-N -1 1 291.347 1.765 20 0 CDADMM Cc1c(C(=O)N(CC(=O)[O-])C2CC2)ccc2cncn21 ZINC001610405608 1165309165 /nfs/dbraw/zinc/30/91/65/1165309165.db2.gz ONMNTCQZDUSEAR-UHFFFAOYSA-N -1 1 273.292 1.332 20 0 CDADMM Cc1cc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)no1 ZINC001610438189 1165316526 /nfs/dbraw/zinc/31/65/26/1165316526.db2.gz NEKZTIJQJDRWAP-UHFFFAOYSA-N -1 1 286.247 1.810 20 0 CDADMM Cc1nc([C@H](C)OC(=O)c2cscc2C(=O)[O-])n[nH]1 ZINC001610548581 1165350979 /nfs/dbraw/zinc/35/09/79/1165350979.db2.gz TZTJCJKCDNOKEN-YFKPBYRVSA-N -1 1 281.293 1.791 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(Cc3ccc(Cl)cn3)C[C@@H]21 ZINC001610803793 1165448401 /nfs/dbraw/zinc/44/84/01/1165448401.db2.gz LTLGZFLBNABHPC-URLYPYJESA-N -1 1 252.701 1.497 20 0 CDADMM O=C([O-])c1ccc(CN2CCc3cc[nH]c(=O)c3C2)nc1 ZINC001610825932 1165454872 /nfs/dbraw/zinc/45/48/72/1165454872.db2.gz OCMYLQPVIBGOPF-UHFFFAOYSA-N -1 1 285.303 1.439 20 0 CDADMM O=C([O-])c1ccoc1CN1CC[C@H](N2CCCC2=O)C1 ZINC001610855357 1165464694 /nfs/dbraw/zinc/46/46/94/1165464694.db2.gz WRMXBVSPWMWVKN-JTQLQIEISA-N -1 1 278.308 1.175 20 0 CDADMM CN(C(=O)c1ccc(Cl)c2ncccc12)c1nn[n-]n1 ZINC001617642286 1165603187 /nfs/dbraw/zinc/60/31/87/1165603187.db2.gz NEGCQIKWSGSLII-UHFFFAOYSA-N -1 1 288.698 1.678 20 0 CDADMM CO[C@H]1CCN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001624490931 1165844464 /nfs/dbraw/zinc/84/44/64/1165844464.db2.gz ZTCIRJSWLTVFHM-KOLCDFICSA-N -1 1 250.298 1.284 20 0 CDADMM CC(C)CN(CC(N)=O)C(=O)c1cc(Cl)ccc1[O-] ZINC000042692128 1166081121 /nfs/dbraw/zinc/08/11/21/1166081121.db2.gz CCNXWULUXJDTTC-UHFFFAOYSA-N -1 1 284.743 1.629 20 0 CDADMM CC(C)CC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC000095225171 1166610674 /nfs/dbraw/zinc/61/06/74/1166610674.db2.gz OBFKLFVXCFAIFQ-VIFPVBQESA-N -1 1 261.333 1.893 20 0 CDADMM CC(C)CC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC000095225171 1166610678 /nfs/dbraw/zinc/61/06/78/1166610678.db2.gz OBFKLFVXCFAIFQ-VIFPVBQESA-N -1 1 261.333 1.893 20 0 CDADMM Cc1cc(NC(=O)c2ccc([O-])cc2F)c(=O)n(C)c1 ZINC001411884118 1166718694 /nfs/dbraw/zinc/71/86/94/1166718694.db2.gz PCRJQDZECIKIKF-UHFFFAOYSA-N -1 1 276.267 1.791 20 0 CDADMM C[C@H](CN(C)C(=O)c1ccc2cnccc2c1)c1nn[n-]n1 ZINC001638042315 1166813766 /nfs/dbraw/zinc/81/37/66/1166813766.db2.gz PYWXJQYRSUYLPE-SNVBAGLBSA-N -1 1 296.334 1.624 20 0 CDADMM C[C@@H]1C[C@H](CNC(=O)c2ccc([O-])cn2)[C@H](C)O1 ZINC001638208244 1166830410 /nfs/dbraw/zinc/83/04/10/1166830410.db2.gz QTCJVVXXKKQIRG-KXUCPTDWSA-N -1 1 250.298 1.331 20 0 CDADMM Cc1ncsc1[N-]C(=O)c1nc(-c2cnccn2)no1 ZINC001638699326 1166864816 /nfs/dbraw/zinc/86/48/16/1166864816.db2.gz JMVQFYUWAINQJA-UHFFFAOYSA-N -1 1 288.292 1.544 20 0 CDADMM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1ccc[n+]([O-])c1 ZINC000054200338 1166920622 /nfs/dbraw/zinc/92/06/22/1166920622.db2.gz CJOBYKAZYZXQBU-VIFPVBQESA-N -1 1 292.320 1.275 20 0 CDADMM O=C(NCc1cnccn1)c1ncc2ccccc2c1[O-] ZINC001640607866 1167037731 /nfs/dbraw/zinc/03/77/31/1167037731.db2.gz YVTQCIUBRJYBBK-UHFFFAOYSA-N -1 1 280.287 1.660 20 0 CDADMM CCC1(CNC(=O)c2[n-][nH]c3cc(=O)ccc2-3)COC1 ZINC001155269600 1167111392 /nfs/dbraw/zinc/11/13/92/1167111392.db2.gz LTWFQKSHVBYXRK-UHFFFAOYSA-N -1 1 275.308 1.425 20 0 CDADMM COC(C)(CNC(=O)c1[n-][nH]c2cc(=O)ccc1-2)OC ZINC001155273491 1167113144 /nfs/dbraw/zinc/11/31/44/1167113144.db2.gz PMEUUJVKKIQWAB-UHFFFAOYSA-N -1 1 279.296 1.007 20 0 CDADMM CC(=O)c1c(C)[nH]c(C(=O)Nc2c[n-][nH]c2=O)c1C ZINC001641598416 1167123125 /nfs/dbraw/zinc/12/31/25/1167123125.db2.gz ZCIPUDLJFBWNMV-UHFFFAOYSA-N -1 1 262.269 1.515 20 0 CDADMM CSC[C@@H](CCO)NC(=O)c1c([O-])cccc1Cl ZINC001645640796 1167448146 /nfs/dbraw/zinc/44/81/46/1167448146.db2.gz OYGGCANWSAOPJO-MRVPVSSYSA-N -1 1 289.784 1.889 20 0 CDADMM O=C(CCc1ccc2ccccc2c1O)NCc1nn[n-]n1 ZINC001565584417 1168155946 /nfs/dbraw/zinc/15/59/46/1168155946.db2.gz WCCIEDWDLIRDDJ-UHFFFAOYSA-N -1 1 297.318 1.308 20 0 CDADMM O=C(NCC1(O)CCC1)c1ccc2ccc(O)cc2c1[O-] ZINC001647403222 1168650919 /nfs/dbraw/zinc/65/09/19/1168650919.db2.gz CCNXHNOSWPDJBS-UHFFFAOYSA-N -1 1 287.315 1.896 20 0 CDADMM CN(Cc1cn(C[C@H]2CCCO2)nn1)C(C)(C)CC(=O)[O-] ZINC001647411425 1168660696 /nfs/dbraw/zinc/66/06/96/1168660696.db2.gz POXOBHDKFQFEHE-GFCCVEGCSA-N -1 1 296.371 1.142 20 0 CDADMM CC[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001649333046 1169209792 /nfs/dbraw/zinc/20/97/92/1169209792.db2.gz QJYMVPNXFYMOOL-WOPDTQHZSA-N -1 1 277.372 1.732 20 0 CDADMM CCOc1ccc(CNCc2cn(C)nc2C(=O)[O-])cc1 ZINC001650010169 1169600379 /nfs/dbraw/zinc/60/03/79/1169600379.db2.gz MPTGCKCJBFNGKD-UHFFFAOYSA-N -1 1 289.335 1.807 20 0 CDADMM CCOC(=O)c1nnc([C@@H](C)[NH2+]CC(C)(C)CC(=O)[O-])[n-]1 ZINC001573793904 1170779619 /nfs/dbraw/zinc/77/96/19/1170779619.db2.gz SHMGTQJZYOWOQS-MRVPVSSYSA-N -1 1 298.343 1.133 20 0 CDADMM O=C([O-])[C@@H]1C2CCC(CC2)N1Cc1cscn1 ZINC001574385859 1170966593 /nfs/dbraw/zinc/96/65/93/1170966593.db2.gz WJZJRXVALYMWPF-RFBVYIQQSA-N -1 1 252.339 1.971 20 0 CDADMM Cc1cc(N(C)C(=O)c2ccc(-c3nn[n-]n3)o2)ccn1 ZINC001580940059 1172570424 /nfs/dbraw/zinc/57/04/24/1172570424.db2.gz KQNPODOZTQPQFU-UHFFFAOYSA-N -1 1 284.279 1.440 20 0 CDADMM Cc1cccc(Cl)c1C(=O)N(C)c1nn[n-]n1 ZINC001586262618 1172938702 /nfs/dbraw/zinc/93/87/02/1172938702.db2.gz ZZOVOHJLMRWBAK-UHFFFAOYSA-N -1 1 251.677 1.438 20 0 CDADMM CC(C)CC[C@@](C)(O)CNC(=O)c1ccc([O-])cn1 ZINC001586886374 1172963141 /nfs/dbraw/zinc/96/31/41/1172963141.db2.gz GUNZSTKZHRUYKM-CQSZACIVSA-N -1 1 266.341 1.704 20 0 CDADMM C(=C\C1CC1)\CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001588380108 1173053806 /nfs/dbraw/zinc/05/38/06/1173053806.db2.gz UCRGWBKDHRNUCG-UPHRSURJSA-N -1 1 283.339 1.912 20 0 CDADMM C(=C\C1CC1)\CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001588380108 1173053813 /nfs/dbraw/zinc/05/38/13/1173053813.db2.gz UCRGWBKDHRNUCG-UPHRSURJSA-N -1 1 283.339 1.912 20 0 CDADMM CC(=O)c1ccc(Oc2cc(-c3nnn[n-]3)nc(C)n2)cc1 ZINC001588917097 1173113267 /nfs/dbraw/zinc/11/32/67/1173113267.db2.gz APUYQIGQUWPOCS-UHFFFAOYSA-N -1 1 296.290 1.960 20 0 CDADMM CC(=O)c1ccc(Oc2cc(-c3nn[n-]n3)nc(C)n2)cc1 ZINC001588917097 1173113270 /nfs/dbraw/zinc/11/32/70/1173113270.db2.gz APUYQIGQUWPOCS-UHFFFAOYSA-N -1 1 296.290 1.960 20 0 CDADMM C[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])n1cccc1 ZINC001589011767 1173119635 /nfs/dbraw/zinc/11/96/35/1173119635.db2.gz LKWQTIHVQMSQMF-VIFPVBQESA-N -1 1 298.306 1.574 20 0 CDADMM CC(C)=C(C)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001589346572 1173139927 /nfs/dbraw/zinc/13/99/27/1173139927.db2.gz VMLLTPXBLYFDMU-UHFFFAOYSA-N -1 1 279.325 1.723 20 0 CDADMM CC(C)=C(C)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001589346572 1173139933 /nfs/dbraw/zinc/13/99/33/1173139933.db2.gz VMLLTPXBLYFDMU-UHFFFAOYSA-N -1 1 279.325 1.723 20 0 CDADMM CC(C)[C@@H]1CN(c2ccnc(-c3nnn[n-]3)c2)CCS1 ZINC001589517659 1173152663 /nfs/dbraw/zinc/15/26/63/1173152663.db2.gz MYGMNDMQHJPEFT-LBPRGKRZSA-N -1 1 290.396 1.840 20 0 CDADMM CC(C)c1cccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC001589769946 1173177418 /nfs/dbraw/zinc/17/74/18/1173177418.db2.gz WRFHSTYTVRWRNF-UHFFFAOYSA-N -1 1 297.322 1.457 20 0 CDADMM C[C@@H](CNc1cccnc1-c1nnn[n-]1)Cn1cccn1 ZINC001589879927 1173193460 /nfs/dbraw/zinc/19/34/60/1173193460.db2.gz YZONKTLHPSYNAY-JTQLQIEISA-N -1 1 284.327 1.206 20 0 CDADMM C[C@@H](CNc1cccnc1-c1nn[n-]n1)Cn1cccn1 ZINC001589879927 1173193466 /nfs/dbraw/zinc/19/34/66/1173193466.db2.gz YZONKTLHPSYNAY-JTQLQIEISA-N -1 1 284.327 1.206 20 0 CDADMM C[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)C1(C)CC1 ZINC001589948496 1173209220 /nfs/dbraw/zinc/20/92/20/1173209220.db2.gz LHXLUXULFFRZPY-SSDOTTSWSA-N -1 1 261.285 1.378 20 0 CDADMM C[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)C1(C)CC1 ZINC001589948496 1173209227 /nfs/dbraw/zinc/20/92/27/1173209227.db2.gz LHXLUXULFFRZPY-SSDOTTSWSA-N -1 1 261.285 1.378 20 0 CDADMM C[C@@H](O)CCSCc1ccc(-c2nnn[n-]2)o1 ZINC001589999510 1173211523 /nfs/dbraw/zinc/21/15/23/1173211523.db2.gz TXEXJEBCGAALNQ-SSDOTTSWSA-N -1 1 254.315 1.464 20 0 CDADMM C[C@@H](O)CCSCc1ccc(-c2nn[n-]n2)o1 ZINC001589999510 1173211527 /nfs/dbraw/zinc/21/15/27/1173211527.db2.gz TXEXJEBCGAALNQ-SSDOTTSWSA-N -1 1 254.315 1.464 20 0 CDADMM C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)C(F)F ZINC001590011791 1173234420 /nfs/dbraw/zinc/23/44/20/1173234420.db2.gz XLFFFACEXVIGFX-YFKPBYRVSA-N -1 1 269.211 1.072 20 0 CDADMM C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)C(F)F ZINC001590011791 1173234423 /nfs/dbraw/zinc/23/44/23/1173234423.db2.gz XLFFFACEXVIGFX-YFKPBYRVSA-N -1 1 269.211 1.072 20 0 CDADMM C[C@@]1(C(=O)Nc2ncc(-c3nnn[n-]3)s2)CC1(F)F ZINC001590070833 1173242471 /nfs/dbraw/zinc/24/24/71/1173242471.db2.gz KTAAYONFYUHHFY-QMMMGPOBSA-N -1 1 286.267 1.307 20 0 CDADMM C[C@@]1(C(=O)Nc2ncc(-c3nn[n-]n3)s2)CC1(F)F ZINC001590070833 1173242481 /nfs/dbraw/zinc/24/24/81/1173242481.db2.gz KTAAYONFYUHHFY-QMMMGPOBSA-N -1 1 286.267 1.307 20 0 CDADMM CC1(C)[C@@H](CNc2cccc(-c3nnn[n-]3)n2)C1(F)F ZINC001590077331 1173244753 /nfs/dbraw/zinc/24/47/53/1173244753.db2.gz TWTCWPJVXCYBNF-MRVPVSSYSA-N -1 1 280.282 1.965 20 0 CDADMM CC1(C)[C@@H](CNc2cccc(-c3nn[n-]n3)n2)C1(F)F ZINC001590077331 1173244760 /nfs/dbraw/zinc/24/47/60/1173244760.db2.gz TWTCWPJVXCYBNF-MRVPVSSYSA-N -1 1 280.282 1.965 20 0 CDADMM CC1(C)CC(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590080716 1173248332 /nfs/dbraw/zinc/24/83/32/1173248332.db2.gz OWTBFFZAIKKLKC-UHFFFAOYSA-N -1 1 259.317 1.505 20 0 CDADMM CC1(C)CC(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590080716 1173248336 /nfs/dbraw/zinc/24/83/36/1173248336.db2.gz OWTBFFZAIKKLKC-UHFFFAOYSA-N -1 1 259.317 1.505 20 0 CDADMM CC1(C)CC(COC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590080318 1173248454 /nfs/dbraw/zinc/24/84/54/1173248454.db2.gz LZGRSQUNRZMQAZ-UHFFFAOYSA-N -1 1 287.323 1.855 20 0 CDADMM CC1(C)CC(COC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590080318 1173248460 /nfs/dbraw/zinc/24/84/60/1173248460.db2.gz LZGRSQUNRZMQAZ-UHFFFAOYSA-N -1 1 287.323 1.855 20 0 CDADMM CC1(C)CCCC[C@H]1Cn1cnc(-c2nn[n-]n2)cc1=O ZINC001590096325 1173256163 /nfs/dbraw/zinc/25/61/63/1173256163.db2.gz FOEJFRQRIXIMAE-JTQLQIEISA-N -1 1 288.355 1.640 20 0 CDADMM CC1(C)CCC[C@H]1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001590096526 1173257968 /nfs/dbraw/zinc/25/79/68/1173257968.db2.gz PPBQHUQOVUPMNH-VIFPVBQESA-N -1 1 273.344 1.895 20 0 CDADMM CC1(C)CCC[C@H]1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001590096526 1173257971 /nfs/dbraw/zinc/25/79/71/1173257971.db2.gz PPBQHUQOVUPMNH-VIFPVBQESA-N -1 1 273.344 1.895 20 0 CDADMM C[C@@]1(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC=CCC1 ZINC001590144218 1173273466 /nfs/dbraw/zinc/27/34/66/1173273466.db2.gz JFIOGIFDWMBNLB-OAHLLOKOSA-N -1 1 298.350 1.419 20 0 CDADMM C[C@@]1(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC=CCC1 ZINC001590144218 1173273467 /nfs/dbraw/zinc/27/34/67/1173273467.db2.gz JFIOGIFDWMBNLB-OAHLLOKOSA-N -1 1 298.350 1.419 20 0 CDADMM CC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001590218852 1173297230 /nfs/dbraw/zinc/29/72/30/1173297230.db2.gz MEWFFDXOCFYIMU-PBINXNQUSA-N -1 1 271.328 1.424 20 0 CDADMM CC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001590218852 1173297234 /nfs/dbraw/zinc/29/72/34/1173297234.db2.gz MEWFFDXOCFYIMU-PBINXNQUSA-N -1 1 271.328 1.424 20 0 CDADMM C[C@H]1C[C@@H]1c1noc(-c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001590219137 1173297696 /nfs/dbraw/zinc/29/76/96/1173297696.db2.gz KZUQMABNOXJCBY-XPUUQOCRSA-N -1 1 269.268 1.435 20 0 CDADMM C[C@H]1C[C@@H]1c1noc(-c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001590219137 1173297698 /nfs/dbraw/zinc/29/76/98/1173297698.db2.gz KZUQMABNOXJCBY-XPUUQOCRSA-N -1 1 269.268 1.435 20 0 CDADMM C[C@H]1C[C@@H]1CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590221851 1173300898 /nfs/dbraw/zinc/30/08/98/1173300898.db2.gz UPDGGDJFSGQYSA-NKWVEPMBSA-N -1 1 263.326 1.314 20 0 CDADMM C[C@@H]1CCCC[C@H]1CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001590250026 1173321373 /nfs/dbraw/zinc/32/13/73/1173321373.db2.gz DMXOBEIYISFREI-BDAKNGLRSA-N -1 1 289.343 1.502 20 0 CDADMM C[C@H]1CCCCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590261608 1173322094 /nfs/dbraw/zinc/32/20/94/1173322094.db2.gz UKKRTOWEDXMGFA-JTQLQIEISA-N -1 1 286.339 1.205 20 0 CDADMM C[C@H]1CCCCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590261608 1173322101 /nfs/dbraw/zinc/32/21/01/1173322101.db2.gz UKKRTOWEDXMGFA-JTQLQIEISA-N -1 1 286.339 1.205 20 0 CDADMM C[C@@H]1CCCCCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590256068 1173322182 /nfs/dbraw/zinc/32/21/82/1173322182.db2.gz ZUDGOLSMQVOLOF-SECBINFHSA-N -1 1 275.312 1.864 20 0 CDADMM C[C@@H]1CCCCCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590256068 1173322188 /nfs/dbraw/zinc/32/21/88/1173322188.db2.gz ZUDGOLSMQVOLOF-SECBINFHSA-N -1 1 275.312 1.864 20 0 CDADMM CC1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)CC1 ZINC001590275455 1173336405 /nfs/dbraw/zinc/33/64/05/1173336405.db2.gz CFHHEUDDUITCFC-UHFFFAOYSA-N -1 1 285.355 1.770 20 0 CDADMM CC1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)CC1 ZINC001590275455 1173336412 /nfs/dbraw/zinc/33/64/12/1173336412.db2.gz CFHHEUDDUITCFC-UHFFFAOYSA-N -1 1 285.355 1.770 20 0 CDADMM C[C@@H]1SCC[C@@H]1Nc1cccnc1-c1nnn[n-]1 ZINC001590338564 1173365308 /nfs/dbraw/zinc/36/53/08/1173365308.db2.gz UAWBBLSVSOSICO-YUMQZZPRSA-N -1 1 262.342 1.568 20 0 CDADMM C[C@@H]1SCC[C@@H]1Nc1cccnc1-c1nn[n-]n1 ZINC001590338564 1173365315 /nfs/dbraw/zinc/36/53/15/1173365315.db2.gz UAWBBLSVSOSICO-YUMQZZPRSA-N -1 1 262.342 1.568 20 0 CDADMM C/C=C/C[C@H](CO)Nc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001590353118 1173371204 /nfs/dbraw/zinc/37/12/04/1173371204.db2.gz OCTXSVGXCNODBM-HMDXOVGESA-N -1 1 274.328 1.309 20 0 CDADMM C/C=C/C[C@H](CO)Nc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001590353118 1173371208 /nfs/dbraw/zinc/37/12/08/1173371208.db2.gz OCTXSVGXCNODBM-HMDXOVGESA-N -1 1 274.328 1.309 20 0 CDADMM CC[C@H](Nc1cccc(-c2nnn[n-]2)n1)[C@H]1CCCOC1 ZINC001590473875 1173424695 /nfs/dbraw/zinc/42/46/95/1173424695.db2.gz TVJSJVPYLPHWNK-QWRGUYRKSA-N -1 1 288.355 1.879 20 0 CDADMM CC[C@H](Nc1cccc(-c2nn[n-]n2)n1)[C@H]1CCCOC1 ZINC001590473875 1173424702 /nfs/dbraw/zinc/42/47/02/1173424702.db2.gz TVJSJVPYLPHWNK-QWRGUYRKSA-N -1 1 288.355 1.879 20 0 CDADMM CC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CC1(C)C ZINC001590474153 1173425082 /nfs/dbraw/zinc/42/50/82/1173425082.db2.gz ZASKJXGQTYOOTD-DTWKUNHWSA-N -1 1 273.344 1.893 20 0 CDADMM CC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CC1(C)C ZINC001590474153 1173425086 /nfs/dbraw/zinc/42/50/86/1173425086.db2.gz ZASKJXGQTYOOTD-DTWKUNHWSA-N -1 1 273.344 1.893 20 0 CDADMM CC[C@@H]1[C@H](C)CCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590502472 1173437375 /nfs/dbraw/zinc/43/73/75/1173437375.db2.gz PZYVBENZSOFTOT-BXKDBHETSA-N -1 1 286.339 1.522 20 0 CDADMM CC[C@@H]1[C@H](C)CCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590502472 1173437380 /nfs/dbraw/zinc/43/73/80/1173437380.db2.gz PZYVBENZSOFTOT-BXKDBHETSA-N -1 1 286.339 1.522 20 0 CDADMM CC[C@H]1CCC[C@@H]1C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001590507644 1173442002 /nfs/dbraw/zinc/44/20/02/1173442002.db2.gz KKXBSXAGEWZIJK-IUCAKERBSA-N -1 1 289.343 1.663 20 0 CDADMM CCCCCNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590599388 1173471709 /nfs/dbraw/zinc/47/17/09/1173471709.db2.gz WOKRAMWMDYLHBG-UHFFFAOYSA-N -1 1 265.342 1.848 20 0 CDADMM CC[C@@H]1CN(c2nc(-c3nnn[n-]3)ccc2C)CCO1 ZINC001590525200 1173452541 /nfs/dbraw/zinc/45/25/41/1173452541.db2.gz VRCDAFPHTTWUBV-SNVBAGLBSA-N -1 1 274.328 1.185 20 0 CDADMM CC[C@@H]1CN(c2nc(-c3nn[n-]n3)ccc2C)CCO1 ZINC001590525200 1173452545 /nfs/dbraw/zinc/45/25/45/1173452545.db2.gz VRCDAFPHTTWUBV-SNVBAGLBSA-N -1 1 274.328 1.185 20 0 CDADMM CCCCCNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590599388 1173471705 /nfs/dbraw/zinc/47/17/05/1173471705.db2.gz WOKRAMWMDYLHBG-UHFFFAOYSA-N -1 1 265.342 1.848 20 0 CDADMM CCCCCOC1CN(c2ncncc2-c2nn[n-]n2)C1 ZINC001590597182 1173472717 /nfs/dbraw/zinc/47/27/17/1173472717.db2.gz LRWWBKKAQABYEL-UHFFFAOYSA-N -1 1 289.343 1.052 20 0 CDADMM CCc1cnc(CNc2n[nH]cc2-c2nnn[n-]2)s1 ZINC001590900268 1173535602 /nfs/dbraw/zinc/53/56/02/1173535602.db2.gz BWYCVDNUYKOFFL-UHFFFAOYSA-N -1 1 276.329 1.221 20 0 CDADMM CCc1cnc(CNc2n[nH]cc2-c2nn[n-]n2)s1 ZINC001590900268 1173535605 /nfs/dbraw/zinc/53/56/05/1173535605.db2.gz BWYCVDNUYKOFFL-UHFFFAOYSA-N -1 1 276.329 1.221 20 0 CDADMM CN(C(=O)/C=C/C1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590979358 1173554542 /nfs/dbraw/zinc/55/45/42/1173554542.db2.gz YKJOMCBYQCLVCR-QPJJXVBHSA-N -1 1 270.296 1.191 20 0 CDADMM CN(C(=O)/C=C/C1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590979358 1173554546 /nfs/dbraw/zinc/55/45/46/1173554546.db2.gz YKJOMCBYQCLVCR-QPJJXVBHSA-N -1 1 270.296 1.191 20 0 CDADMM CN(CCC1CC1)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591064612 1173568276 /nfs/dbraw/zinc/56/82/76/1173568276.db2.gz RTYWJOXFENLDRJ-UHFFFAOYSA-N -1 1 272.312 1.134 20 0 CDADMM CN(CCC1CC1)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591064612 1173568280 /nfs/dbraw/zinc/56/82/80/1173568280.db2.gz RTYWJOXFENLDRJ-UHFFFAOYSA-N -1 1 272.312 1.134 20 0 CDADMM CO[C@H](C)Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001591323569 1173610604 /nfs/dbraw/zinc/61/06/04/1173610604.db2.gz AHTKMJYQIKXRBU-SECBINFHSA-N -1 1 285.311 1.160 20 0 CDADMM CO[C@]1(C)CCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591339561 1173616666 /nfs/dbraw/zinc/61/66/66/1173616666.db2.gz UCXSMFOVLJJERX-CYBMUJFWSA-N -1 1 274.328 1.267 20 0 CDADMM CO[C@]1(C)CCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001591339561 1173616671 /nfs/dbraw/zinc/61/66/71/1173616671.db2.gz UCXSMFOVLJJERX-CYBMUJFWSA-N -1 1 274.328 1.267 20 0 CDADMM CO[C@H]1CC[C@@H](C)N(c2cc(C)nc(-c3nnn[n-]3)c2)C1 ZINC001591348528 1173623083 /nfs/dbraw/zinc/62/30/83/1173623083.db2.gz VDQNPGQOQDJEJW-PWSUYJOCSA-N -1 1 288.355 1.574 20 0 CDADMM CO[C@H]1CC[C@@H](C)N(c2cc(C)nc(-c3nn[n-]n3)c2)C1 ZINC001591348528 1173623087 /nfs/dbraw/zinc/62/30/87/1173623087.db2.gz VDQNPGQOQDJEJW-PWSUYJOCSA-N -1 1 288.355 1.574 20 0 CDADMM COCCCCCOC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591410889 1173647812 /nfs/dbraw/zinc/64/78/12/1173647812.db2.gz KHNJEPJSMLACFK-UHFFFAOYSA-N -1 1 280.284 1.433 20 0 CDADMM COCCCCCOC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591410889 1173647818 /nfs/dbraw/zinc/64/78/18/1173647818.db2.gz KHNJEPJSMLACFK-UHFFFAOYSA-N -1 1 280.284 1.433 20 0 CDADMM CON1CCC(Nc2cc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001591468838 1173655669 /nfs/dbraw/zinc/65/56/69/1173655669.db2.gz XHNKRMCDGZIWNT-UHFFFAOYSA-N -1 1 289.343 1.008 20 0 CDADMM CON1CCC(Nc2cc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001591468838 1173655674 /nfs/dbraw/zinc/65/56/74/1173655674.db2.gz XHNKRMCDGZIWNT-UHFFFAOYSA-N -1 1 289.343 1.008 20 0 CDADMM CO[C@H]1C[C@@H](N(C)C(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001591473315 1173657811 /nfs/dbraw/zinc/65/78/11/1173657811.db2.gz ZJEUVEFRNDENGX-DTORHVGOSA-N -1 1 293.352 1.178 20 0 CDADMM COc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC001591620886 1173676754 /nfs/dbraw/zinc/67/67/54/1173676754.db2.gz ACNYKZFICGOJHN-UHFFFAOYSA-N -1 1 270.252 1.458 20 0 CDADMM COc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC001591620886 1173676761 /nfs/dbraw/zinc/67/67/61/1173676761.db2.gz ACNYKZFICGOJHN-UHFFFAOYSA-N -1 1 270.252 1.458 20 0 CDADMM C[C@@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)C1CCC1 ZINC001591732953 1173694758 /nfs/dbraw/zinc/69/47/58/1173694758.db2.gz PYVBFGCRVKVYBC-MRVPVSSYSA-N -1 1 273.296 1.607 20 0 CDADMM C[C@@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)C1CCC1 ZINC001591732953 1173694760 /nfs/dbraw/zinc/69/47/60/1173694760.db2.gz PYVBFGCRVKVYBC-MRVPVSSYSA-N -1 1 273.296 1.607 20 0 CDADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCCCCC1 ZINC001591771040 1173700073 /nfs/dbraw/zinc/70/00/73/1173700073.db2.gz RWTAKWUYNYONMH-JTQLQIEISA-N -1 1 287.371 1.849 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cccc(-c2nn[nH]n2)c1C ZINC001591779321 1173702714 /nfs/dbraw/zinc/70/27/14/1173702714.db2.gz GCBADJMUYXVIPN-UHFFFAOYSA-N -1 1 299.294 1.165 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@]3(CC[C@@H](C)C3)C2)n1 ZINC001591886924 1173738024 /nfs/dbraw/zinc/73/80/24/1173738024.db2.gz OTYVAKFZKQQAIC-MEBBXXQBSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@]3(CC[C@@H](C)C3)C2)n1 ZINC001591886924 1173738031 /nfs/dbraw/zinc/73/80/31/1173738031.db2.gz OTYVAKFZKQQAIC-MEBBXXQBSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)C(F)F)n1 ZINC001591890482 1173742392 /nfs/dbraw/zinc/74/23/92/1173742392.db2.gz HXCSEUOEQWMQAW-RXMQYKEDSA-N -1 1 255.232 1.031 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)C(F)F)n1 ZINC001591890482 1173742396 /nfs/dbraw/zinc/74/23/96/1173742396.db2.gz HXCSEUOEQWMQAW-RXMQYKEDSA-N -1 1 255.232 1.031 20 0 CDADMM Cc1cc(C(=O)Nc2snc(C)c2-c2nnn[n-]2)co1 ZINC001591935395 1173750560 /nfs/dbraw/zinc/75/05/60/1173750560.db2.gz OJLIFEDHAIWHHN-UHFFFAOYSA-N -1 1 290.308 1.785 20 0 CDADMM Cc1cc(C(=O)Nc2snc(C)c2-c2nn[n-]n2)co1 ZINC001591935395 1173750563 /nfs/dbraw/zinc/75/05/63/1173750563.db2.gz OJLIFEDHAIWHHN-UHFFFAOYSA-N -1 1 290.308 1.785 20 0 CDADMM Cc1cc(N[C@H]2COC[C@H]2C2CC2)nc(-c2nnn[n-]2)c1 ZINC001592038260 1173780961 /nfs/dbraw/zinc/78/09/61/1173780961.db2.gz AVBXQRQOLNANFX-JQWIXIFHSA-N -1 1 286.339 1.407 20 0 CDADMM Cc1cc(N[C@H]2COC[C@H]2C2CC2)nc(-c2nn[n-]n2)c1 ZINC001592038260 1173780965 /nfs/dbraw/zinc/78/09/65/1173780965.db2.gz AVBXQRQOLNANFX-JQWIXIFHSA-N -1 1 286.339 1.407 20 0 CDADMM Cc1cc(NC[C@@H]2CCCS2)cc(-c2nnn[n-]2)n1 ZINC001592043545 1173785125 /nfs/dbraw/zinc/78/51/25/1173785125.db2.gz GZZBUTGEJNCXBZ-JTQLQIEISA-N -1 1 276.369 1.878 20 0 CDADMM Cc1cc(NC[C@@H]2CCCS2)cc(-c2nn[n-]n2)n1 ZINC001592043545 1173785131 /nfs/dbraw/zinc/78/51/31/1173785131.db2.gz GZZBUTGEJNCXBZ-JTQLQIEISA-N -1 1 276.369 1.878 20 0 CDADMM Cc1cc(NCCc2ccccc2O)cc(-c2nnn[n-]2)n1 ZINC001592051626 1173785530 /nfs/dbraw/zinc/78/55/30/1173785530.db2.gz YVRAVXGZYJFFTI-UHFFFAOYSA-N -1 1 296.334 1.930 20 0 CDADMM Cc1cc(NCCc2ccccc2O)cc(-c2nn[n-]n2)n1 ZINC001592051626 1173785534 /nfs/dbraw/zinc/78/55/34/1173785534.db2.gz YVRAVXGZYJFFTI-UHFFFAOYSA-N -1 1 296.334 1.930 20 0 CDADMM Cc1cc(NCCCCCO)cc(-c2nnn[n-]2)n1 ZINC001592048050 1173785810 /nfs/dbraw/zinc/78/58/10/1173785810.db2.gz VEWPZIYMCHJINU-UHFFFAOYSA-N -1 1 262.317 1.145 20 0 CDADMM Cc1cc(NCCCCCO)cc(-c2nn[n-]n2)n1 ZINC001592048050 1173785816 /nfs/dbraw/zinc/78/58/16/1173785816.db2.gz VEWPZIYMCHJINU-UHFFFAOYSA-N -1 1 262.317 1.145 20 0 CDADMM Cc1ccc(C)c(OCCn2cnc(-c3nn[n-]n3)n2)c1 ZINC001592140415 1173812192 /nfs/dbraw/zinc/81/21/92/1173812192.db2.gz QFQRCZSAEGPMAM-UHFFFAOYSA-N -1 1 285.311 1.154 20 0 CDADMM Cc1ccc(N[C@H]2CCOC[C@@H]2C)c(-c2nnn[n-]2)n1 ZINC001592183413 1173827688 /nfs/dbraw/zinc/82/76/88/1173827688.db2.gz CZCHQNYRHKWXFB-WPRPVWTQSA-N -1 1 274.328 1.407 20 0 CDADMM Cc1ccc(N[C@H]2CCOC[C@@H]2C)c(-c2nn[n-]n2)n1 ZINC001592183413 1173827695 /nfs/dbraw/zinc/82/76/95/1173827695.db2.gz CZCHQNYRHKWXFB-WPRPVWTQSA-N -1 1 274.328 1.407 20 0 CDADMM Cc1ccc(N[C@@H](C)[C@@H]2CCOC2)nc1-c1nnn[n-]1 ZINC001592183297 1173827996 /nfs/dbraw/zinc/82/79/96/1173827996.db2.gz CWAQQBZHCOPKLZ-VHSXEESVSA-N -1 1 274.328 1.407 20 0 CDADMM Cc1ccc(N[C@@H](C)[C@@H]2CCOC2)nc1-c1nn[n-]n1 ZINC001592183297 1173827997 /nfs/dbraw/zinc/82/79/97/1173827997.db2.gz CWAQQBZHCOPKLZ-VHSXEESVSA-N -1 1 274.328 1.407 20 0 CDADMM Cc1ccc(N[C@H]2CCS[C@H]2C)c(-c2nnn[n-]2)n1 ZINC001592185023 1173830792 /nfs/dbraw/zinc/83/07/92/1173830792.db2.gz ZXCKPUMFEOBREB-IUCAKERBSA-N -1 1 276.369 1.876 20 0 CDADMM Cc1ccc(N[C@H]2CCS[C@H]2C)c(-c2nn[n-]n2)n1 ZINC001592185023 1173830797 /nfs/dbraw/zinc/83/07/97/1173830797.db2.gz ZXCKPUMFEOBREB-IUCAKERBSA-N -1 1 276.369 1.876 20 0 CDADMM Cc1cccc(CNc2ncncc2-c2nn[n-]n2)c1 ZINC001592230919 1173836712 /nfs/dbraw/zinc/83/67/12/1173836712.db2.gz WKAWEHSOGWZVKZ-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1cccnc1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001592263176 1173837708 /nfs/dbraw/zinc/83/77/08/1173837708.db2.gz UCJVWCPPDHKAHM-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1cccnc1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001592263176 1173837713 /nfs/dbraw/zinc/83/77/13/1173837713.db2.gz UCJVWCPPDHKAHM-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1[nH]nc(NCc2cccc3c2OCC3)c1-c1nnn[n-]1 ZINC001592330152 1173856263 /nfs/dbraw/zinc/85/62/63/1173856263.db2.gz BYKXTPIZVSLMJA-UHFFFAOYSA-N -1 1 297.322 1.445 20 0 CDADMM Cc1[nH]nc(NCc2cccc3c2OCC3)c1-c1nn[n-]n1 ZINC001592330152 1173856272 /nfs/dbraw/zinc/85/62/72/1173856272.db2.gz BYKXTPIZVSLMJA-UHFFFAOYSA-N -1 1 297.322 1.445 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@H](C)[C@H](C)C2)n1 ZINC001592337144 1173858453 /nfs/dbraw/zinc/85/84/53/1173858453.db2.gz CJNBPYIRWHNALG-DTWKUNHWSA-N -1 1 273.344 1.447 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@H](C)[C@H](C)C2)n1 ZINC001592337144 1173858459 /nfs/dbraw/zinc/85/84/59/1173858459.db2.gz CJNBPYIRWHNALG-DTWKUNHWSA-N -1 1 273.344 1.447 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@@H]2C[C@H]3C=C[C@@H]2C3)c1C ZINC001592338939 1173859189 /nfs/dbraw/zinc/85/91/89/1173859189.db2.gz AYIIMNUICDLXPO-TUAOUCFPSA-N -1 1 270.340 1.892 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@@H]2C[C@H]3C=C[C@@H]2C3)c1C ZINC001592338939 1173859196 /nfs/dbraw/zinc/85/91/96/1173859196.db2.gz AYIIMNUICDLXPO-TUAOUCFPSA-N -1 1 270.340 1.892 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC3(CCC3)[C@@H]2C2CC2)n1 ZINC001592337630 1173859368 /nfs/dbraw/zinc/85/93/68/1173859368.db2.gz MESLLSJDYJUADP-ZDUSSCGKSA-N -1 1 297.366 1.734 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC3(CCC3)[C@@H]2C2CC2)n1 ZINC001592337630 1173859372 /nfs/dbraw/zinc/85/93/72/1173859372.db2.gz MESLLSJDYJUADP-ZDUSSCGKSA-N -1 1 297.366 1.734 20 0 CDADMM Cc1nc(C)c(C(=O)Nc2cccc(-c3nnn[n-]3)n2)o1 ZINC001592355772 1173864946 /nfs/dbraw/zinc/86/49/46/1173864946.db2.gz SMDHHUPDPWUIET-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1nc(C)c(C(=O)Nc2cccc(-c3nn[n-]n3)n2)o1 ZINC001592355772 1173864951 /nfs/dbraw/zinc/86/49/51/1173864951.db2.gz SMDHHUPDPWUIET-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1nn(C)c(NC(=O)C2CC3(CC3)C2)c1-c1nnn[n-]1 ZINC001592442620 1173891603 /nfs/dbraw/zinc/89/16/03/1173891603.db2.gz MQDCTVPXUZQDIK-UHFFFAOYSA-N -1 1 287.327 1.037 20 0 CDADMM Cc1nn(C)c(NC(=O)C2CC3(CC3)C2)c1-c1nn[n-]n1 ZINC001592442620 1173891612 /nfs/dbraw/zinc/89/16/12/1173891612.db2.gz MQDCTVPXUZQDIK-UHFFFAOYSA-N -1 1 287.327 1.037 20 0 CDADMM Cc1nsc(N[C@@H]2C[C@@H]3CC[C@H]2O3)c1-c1nn[n-]n1 ZINC001592493692 1173905228 /nfs/dbraw/zinc/90/52/28/1173905228.db2.gz AOXZVPOWIWEKLH-XLPZGREQSA-N -1 1 278.341 1.363 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC(C(F)F)C1 ZINC001592497453 1173905612 /nfs/dbraw/zinc/90/56/12/1173905612.db2.gz ZNOJOEMLCCZUSV-UHFFFAOYSA-N -1 1 283.238 1.105 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC(C(F)F)C1 ZINC001592497453 1173905617 /nfs/dbraw/zinc/90/56/17/1173905617.db2.gz ZNOJOEMLCCZUSV-UHFFFAOYSA-N -1 1 283.238 1.105 20 0 CDADMM ClC1(Cl)C[C@H]1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001592524839 1173911115 /nfs/dbraw/zinc/91/11/15/1173911115.db2.gz VRGDSYQYZVPTTK-YFKPBYRVSA-N -1 1 286.126 1.262 20 0 CDADMM ClC1(Cl)C[C@H]1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001592524839 1173911121 /nfs/dbraw/zinc/91/11/21/1173911121.db2.gz VRGDSYQYZVPTTK-YFKPBYRVSA-N -1 1 286.126 1.262 20 0 CDADMM Cn1cc(CCSCc2ccc(-c3nnn[n-]3)o2)nn1 ZINC001592573371 1173921406 /nfs/dbraw/zinc/92/14/06/1173921406.db2.gz IGSFZNKNONQVFS-UHFFFAOYSA-N -1 1 291.340 1.064 20 0 CDADMM Cn1cc(CCSCc2ccc(-c3nn[n-]n3)o2)nn1 ZINC001592573371 1173921412 /nfs/dbraw/zinc/92/14/12/1173921412.db2.gz IGSFZNKNONQVFS-UHFFFAOYSA-N -1 1 291.340 1.064 20 0 CDADMM FC(F)C1(NCc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001592624184 1173933696 /nfs/dbraw/zinc/93/36/96/1173933696.db2.gz GXBAFWWGFPONAX-UHFFFAOYSA-N -1 1 266.255 1.149 20 0 CDADMM FC(F)C1(NCc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001592624184 1173933709 /nfs/dbraw/zinc/93/37/09/1173933709.db2.gz GXBAFWWGFPONAX-UHFFFAOYSA-N -1 1 266.255 1.149 20 0 CDADMM FC(F)C1CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001592623043 1173933923 /nfs/dbraw/zinc/93/39/23/1173933923.db2.gz BDAOEJLGRIDYJN-UHFFFAOYSA-N -1 1 280.282 1.743 20 0 CDADMM FC(F)C1CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001592623043 1173933926 /nfs/dbraw/zinc/93/39/26/1173933926.db2.gz BDAOEJLGRIDYJN-UHFFFAOYSA-N -1 1 280.282 1.743 20 0 CDADMM FC1(F)CC(CCNc2ncncc2-c2nn[n-]n2)C1 ZINC001592628252 1173934687 /nfs/dbraw/zinc/93/46/87/1173934687.db2.gz RZKAAONBOOKVDD-UHFFFAOYSA-N -1 1 281.270 1.504 20 0 CDADMM F[C@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC001592632520 1173945382 /nfs/dbraw/zinc/94/53/82/1173945382.db2.gz HCWJEFSZSFJKJN-QMMMGPOBSA-N -1 1 285.286 1.358 20 0 CDADMM F[C@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001592632520 1173945387 /nfs/dbraw/zinc/94/53/87/1173945387.db2.gz HCWJEFSZSFJKJN-QMMMGPOBSA-N -1 1 285.286 1.358 20 0 CDADMM Fc1cccc(S[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC001592658678 1173958971 /nfs/dbraw/zinc/95/89/71/1173958971.db2.gz SRUHCXNREYLUMJ-ZETCQYMHSA-N -1 1 266.301 1.887 20 0 CDADMM O=C(CCCc1ccccc1)Cn1cc(-c2nn[n-]n2)nn1 ZINC001592837265 1173998150 /nfs/dbraw/zinc/99/81/50/1173998150.db2.gz QDGMESLRBQPVFD-UHFFFAOYSA-N -1 1 297.322 1.050 20 0 CDADMM O=C(COC(=O)c1csc(-c2nnn[n-]2)c1)CC1CC1 ZINC001592884649 1174000641 /nfs/dbraw/zinc/00/06/41/1174000641.db2.gz WSCYNSHZEKMSCT-UHFFFAOYSA-N -1 1 292.320 1.454 20 0 CDADMM O=C(COC(=O)c1csc(-c2nn[n-]n2)c1)CC1CC1 ZINC001592884649 1174000648 /nfs/dbraw/zinc/00/06/48/1174000648.db2.gz WSCYNSHZEKMSCT-UHFFFAOYSA-N -1 1 292.320 1.454 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H]2CCC[C@@H]21 ZINC001592915153 1174003671 /nfs/dbraw/zinc/00/36/71/1174003671.db2.gz LHYNIPJNHPPUIO-AAEUAGOBSA-N -1 1 298.350 1.205 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H]2CCC[C@@H]21 ZINC001592915153 1174003678 /nfs/dbraw/zinc/00/36/78/1174003678.db2.gz LHYNIPJNHPPUIO-AAEUAGOBSA-N -1 1 298.350 1.205 20 0 CDADMM O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(-c2nnn[n-]2)s1 ZINC001592969282 1174009455 /nfs/dbraw/zinc/00/94/55/1174009455.db2.gz SATZCPRWCYSRSJ-RNLVFQAGSA-N -1 1 275.337 1.457 20 0 CDADMM O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(-c2nn[n-]n2)s1 ZINC001592969282 1174009463 /nfs/dbraw/zinc/00/94/63/1174009463.db2.gz SATZCPRWCYSRSJ-RNLVFQAGSA-N -1 1 275.337 1.457 20 0 CDADMM O=C(NCC=CCl)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593056889 1174018714 /nfs/dbraw/zinc/01/87/14/1174018714.db2.gz RVFQFVDZAIOXOY-DAFODLJHSA-N -1 1 299.121 1.397 20 0 CDADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@@H]1CC12CCC2 ZINC001593150682 1174025806 /nfs/dbraw/zinc/02/58/06/1174025806.db2.gz ZBGZLBYHVAXFEP-ZETCQYMHSA-N -1 1 290.352 1.130 20 0 CDADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@@H]1CC12CCC2 ZINC001593150682 1174025814 /nfs/dbraw/zinc/02/58/14/1174025814.db2.gz ZBGZLBYHVAXFEP-ZETCQYMHSA-N -1 1 290.352 1.130 20 0 CDADMM O=C(OC[C@H]1CCSC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593286233 1174052123 /nfs/dbraw/zinc/05/21/23/1174052123.db2.gz FNZCQSCMSYKIRL-MRVPVSSYSA-N -1 1 291.336 1.172 20 0 CDADMM O=C(OC[C@H]1CCSC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593286233 1174052129 /nfs/dbraw/zinc/05/21/29/1174052129.db2.gz FNZCQSCMSYKIRL-MRVPVSSYSA-N -1 1 291.336 1.172 20 0 CDADMM O=C(OCC1CC1)c1csc(-c2nnn[n-]2)c1 ZINC001593284752 1174052666 /nfs/dbraw/zinc/05/26/66/1174052666.db2.gz NKFPKOGOBLYUMK-UHFFFAOYSA-N -1 1 250.283 1.495 20 0 CDADMM O=C(OCC1CC1)c1csc(-c2nn[n-]n2)c1 ZINC001593284752 1174052672 /nfs/dbraw/zinc/05/26/72/1174052672.db2.gz NKFPKOGOBLYUMK-UHFFFAOYSA-N -1 1 250.283 1.495 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)[C@H]1CCOC1 ZINC001593299632 1174057207 /nfs/dbraw/zinc/05/72/07/1174057207.db2.gz XTYBUVKGHMRBCE-ZETCQYMHSA-N -1 1 280.309 1.008 20 0 CDADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@H]1CCCCS1 ZINC001593297333 1174057534 /nfs/dbraw/zinc/05/75/34/1174057534.db2.gz GCNLTVWQLVCUPL-SNVBAGLBSA-N -1 1 294.336 1.789 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@H]1CCCCS1 ZINC001593297333 1174057542 /nfs/dbraw/zinc/05/75/42/1174057542.db2.gz GCNLTVWQLVCUPL-SNVBAGLBSA-N -1 1 294.336 1.789 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC2(C1)CCCCC2 ZINC001593348383 1174068938 /nfs/dbraw/zinc/06/89/38/1174068938.db2.gz VWWLSLUUZKGHTN-UHFFFAOYSA-N -1 1 298.350 1.668 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC2(C1)CCCCC2 ZINC001593348383 1174068941 /nfs/dbraw/zinc/06/89/41/1174068941.db2.gz VWWLSLUUZKGHTN-UHFFFAOYSA-N -1 1 298.350 1.668 20 0 CDADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC=CCC1 ZINC001593370464 1174070070 /nfs/dbraw/zinc/07/00/70/1174070070.db2.gz CXUCOGFFMXWMTC-UHFFFAOYSA-N -1 1 261.310 1.330 20 0 CDADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC[C@H](CF)C1 ZINC001593361951 1174071125 /nfs/dbraw/zinc/07/11/25/1174071125.db2.gz CSFSYFQJCJTUFM-MRVPVSSYSA-N -1 1 295.343 1.750 20 0 CDADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCC[C@H](CF)C1 ZINC001593361951 1174071135 /nfs/dbraw/zinc/07/11/35/1174071135.db2.gz CSFSYFQJCJTUFM-MRVPVSSYSA-N -1 1 295.343 1.750 20 0 CDADMM O=S(=O)(Cc1ccc(-c2nnn[n-]2)o1)c1cccs1 ZINC001593425863 1174076815 /nfs/dbraw/zinc/07/68/15/1174076815.db2.gz UXLQUGWISSSTRI-UHFFFAOYSA-N -1 1 296.333 1.495 20 0 CDADMM O=S(=O)(Cc1ccc(-c2nn[n-]n2)o1)c1cccs1 ZINC001593425863 1174076821 /nfs/dbraw/zinc/07/68/21/1174076821.db2.gz UXLQUGWISSSTRI-UHFFFAOYSA-N -1 1 296.333 1.495 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1CCSc1ccccc1 ZINC001593492810 1174088173 /nfs/dbraw/zinc/08/81/73/1174088173.db2.gz PCFFSTUVAWXYTF-UHFFFAOYSA-N -1 1 299.359 1.821 20 0 CDADMM OC[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C1CCC1 ZINC001593521752 1174099734 /nfs/dbraw/zinc/09/97/34/1174099734.db2.gz ZRYAJZXYZVXHAP-SECBINFHSA-N -1 1 294.746 1.488 20 0 CDADMM OC[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C1CCC1 ZINC001593521752 1174099740 /nfs/dbraw/zinc/09/97/40/1174099740.db2.gz ZRYAJZXYZVXHAP-SECBINFHSA-N -1 1 294.746 1.488 20 0 CDADMM OCc1ccc(Sc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001593535294 1174107435 /nfs/dbraw/zinc/10/74/35/1174107435.db2.gz QWWSGBWZSORHPU-UHFFFAOYSA-N -1 1 285.332 1.905 20 0 CDADMM OCc1ccc(Sc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001593535294 1174107437 /nfs/dbraw/zinc/10/74/37/1174107437.db2.gz QWWSGBWZSORHPU-UHFFFAOYSA-N -1 1 285.332 1.905 20 0 CDADMM c1cc(CCNc2ccnc(-c3nnn[n-]3)c2)sn1 ZINC001593554730 1174129381 /nfs/dbraw/zinc/12/93/81/1174129381.db2.gz RRBGBQJXBOQKSY-UHFFFAOYSA-N -1 1 273.325 1.373 20 0 CDADMM c1cc(CCNc2ccnc(-c3nn[n-]n3)c2)sn1 ZINC001593554730 1174129385 /nfs/dbraw/zinc/12/93/85/1174129385.db2.gz RRBGBQJXBOQKSY-UHFFFAOYSA-N -1 1 273.325 1.373 20 0 CDADMM c1cc(N2C[C@H](C3CC3)[C@H]2C2CC2)nnc1-c1nnn[n-]1 ZINC001593557672 1174132091 /nfs/dbraw/zinc/13/20/91/1174132091.db2.gz QXYKFAMJJVMCFR-ZWNOBZJWSA-N -1 1 283.339 1.282 20 0 CDADMM c1cc(N2C[C@H](C3CC3)[C@H]2C2CC2)nnc1-c1nn[n-]n1 ZINC001593557672 1174132097 /nfs/dbraw/zinc/13/20/97/1174132097.db2.gz QXYKFAMJJVMCFR-ZWNOBZJWSA-N -1 1 283.339 1.282 20 0 CDADMM c1cc(N2CCCC23CCCCC3)nc(-c2nn[n-]n2)n1 ZINC001593558536 1174133079 /nfs/dbraw/zinc/13/30/79/1174133079.db2.gz FEIGBZMVVZGLAN-UHFFFAOYSA-N -1 1 285.355 1.960 20 0 CDADMM c1cc(N[C@@H]2C[C@@H]3CCCC[C@H]23)cc(-c2nnn[n-]2)n1 ZINC001593560495 1174137006 /nfs/dbraw/zinc/13/70/06/1174137006.db2.gz CGWLARFZGPNQKX-ZMLRMANQSA-N -1 1 270.340 1.674 20 0 CDADMM c1cc(N[C@@H]2C[C@@H]3CCCC[C@H]23)cc(-c2nn[n-]n2)n1 ZINC001593560495 1174137013 /nfs/dbraw/zinc/13/70/13/1174137013.db2.gz CGWLARFZGPNQKX-ZMLRMANQSA-N -1 1 270.340 1.674 20 0 CDADMM c1ccc([C@H]2CCN(c3ncncc3-c3nn[n-]n3)C2)nc1 ZINC001593573310 1174145272 /nfs/dbraw/zinc/14/52/72/1174145272.db2.gz ODILEZXJRKFSLH-JTQLQIEISA-N -1 1 294.322 1.046 20 0 CDADMM c1[nH]nc(NC[C@H]2CCOc3ccccc32)c1-c1nnn[n-]1 ZINC001593579227 1174145790 /nfs/dbraw/zinc/14/57/90/1174145790.db2.gz CZQLKISBQZSHBZ-SECBINFHSA-N -1 1 297.322 1.568 20 0 CDADMM c1[nH]nc(NC[C@H]2CCOc3ccccc32)c1-c1nn[n-]n1 ZINC001593579227 1174145793 /nfs/dbraw/zinc/14/57/93/1174145793.db2.gz CZQLKISBQZSHBZ-SECBINFHSA-N -1 1 297.322 1.568 20 0 CDADMM c1ccc2c(c1)CC[C@H]2CNc1cnc(-c2nnn[n-]2)cn1 ZINC001593581644 1174147199 /nfs/dbraw/zinc/14/71/99/1174147199.db2.gz UAWTWXYTXOUDRU-NSHDSACASA-N -1 1 293.334 1.799 20 0 CDADMM c1ccc2c(c1)CC[C@H]2CNc1cnc(-c2nn[n-]n2)cn1 ZINC001593581644 1174147205 /nfs/dbraw/zinc/14/72/05/1174147205.db2.gz UAWTWXYTXOUDRU-NSHDSACASA-N -1 1 293.334 1.799 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC001593582850 1174147343 /nfs/dbraw/zinc/14/73/43/1174147343.db2.gz BHKDRYJMWKHXAN-PWSUYJOCSA-N -1 1 286.339 1.267 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC001593582850 1174147347 /nfs/dbraw/zinc/14/73/47/1174147347.db2.gz BHKDRYJMWKHXAN-PWSUYJOCSA-N -1 1 286.339 1.267 20 0 CDADMM c1cnc([C@H]2CCN(c3ccnc(-c4nnn[n-]4)c3)C2)nc1 ZINC001593583579 1174149246 /nfs/dbraw/zinc/14/92/46/1174149246.db2.gz JRMUDWINTFSJLG-JTQLQIEISA-N -1 1 294.322 1.046 20 0 CDADMM c1cnc([C@H]2CCN(c3ccnc(-c4nn[n-]n4)c3)C2)nc1 ZINC001593583579 1174149249 /nfs/dbraw/zinc/14/92/49/1174149249.db2.gz JRMUDWINTFSJLG-JTQLQIEISA-N -1 1 294.322 1.046 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OC[C@@H]2CCC3(CCC3)O2)c1 ZINC001593583724 1174150977 /nfs/dbraw/zinc/15/09/77/1174150977.db2.gz FMBCRGFNOZGXNI-JTQLQIEISA-N -1 1 287.323 1.742 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OC[C@@H]2CCC3(CCC3)O2)c1 ZINC001593583724 1174150983 /nfs/dbraw/zinc/15/09/83/1174150983.db2.gz FMBCRGFNOZGXNI-JTQLQIEISA-N -1 1 287.323 1.742 20 0 CDADMM c1csc(CCCNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001593589107 1174155000 /nfs/dbraw/zinc/15/50/00/1174155000.db2.gz NOWYTVYXTJLHMN-UHFFFAOYSA-N -1 1 287.352 1.763 20 0 CDADMM c1csc(CCCNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001593589107 1174155004 /nfs/dbraw/zinc/15/50/04/1174155004.db2.gz NOWYTVYXTJLHMN-UHFFFAOYSA-N -1 1 287.352 1.763 20 0 CDADMM c1ncc(N2CC[C@@H]3CCC[C@@H]32)nc1-c1nnn[n-]1 ZINC001593593231 1174159246 /nfs/dbraw/zinc/15/92/46/1174159246.db2.gz NQFVMSUYEIIVLQ-WPRPVWTQSA-N -1 1 257.301 1.036 20 0 CDADMM c1ncc(N2CC[C@@H]3CCC[C@@H]32)nc1-c1nn[n-]n1 ZINC001593593231 1174159249 /nfs/dbraw/zinc/15/92/49/1174159249.db2.gz NQFVMSUYEIIVLQ-WPRPVWTQSA-N -1 1 257.301 1.036 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NC[C@H]1CCCCS1 ZINC001593595760 1174163988 /nfs/dbraw/zinc/16/39/88/1174163988.db2.gz XNOXWVUXEMDBJK-MRVPVSSYSA-N -1 1 277.357 1.354 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NC[C@H]1CCCCS1 ZINC001593595760 1174163996 /nfs/dbraw/zinc/16/39/96/1174163996.db2.gz XNOXWVUXEMDBJK-MRVPVSSYSA-N -1 1 277.357 1.354 20 0 CDADMM c1cc2cc(Nc3ncncc3-c3nn[n-]n3)ccc2[nH]1 ZINC001593594985 1174165911 /nfs/dbraw/zinc/16/59/11/1174165911.db2.gz KVGVSPYRXXMDMG-UHFFFAOYSA-N -1 1 278.279 1.882 20 0 CDADMM CCc1cc(=O)n2[n-]c(NC(=O)c3cccc(C)c3)nc2n1 ZINC001595384421 1174201341 /nfs/dbraw/zinc/20/13/41/1174201341.db2.gz OZDOZDJSJRCXBS-UHFFFAOYSA-N -1 1 297.318 1.541 20 0 CDADMM Cc1cc(CN)oc1C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001600191232 1174396964 /nfs/dbraw/zinc/39/69/64/1174396964.db2.gz DGFUESYJYMPSKQ-BONVTDFDSA-N -1 1 292.335 1.374 20 0 CDADMM Cc1cc(CN[C@@H]2c3ccccc3C[C@H]2O)[nH]c1C(=O)[O-] ZINC001600206869 1174408756 /nfs/dbraw/zinc/40/87/56/1174408756.db2.gz RTXDSVCOODIFDP-UKRRQHHQSA-N -1 1 286.331 1.769 20 0 CDADMM C[C@@]1(CO)CCCN(CC(=O)[N-]OCc2ccccc2)C1 ZINC000093204816 1174429360 /nfs/dbraw/zinc/42/93/60/1174429360.db2.gz LXEXKGNUYGSCNS-MRXNPFEDSA-N -1 1 292.379 1.329 20 0 CDADMM Cc1ccc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)nn1 ZINC001600345200 1174450097 /nfs/dbraw/zinc/45/00/97/1174450097.db2.gz XRXOJFDQOAOAGK-UHFFFAOYSA-N -1 1 297.274 1.612 20 0 CDADMM CCOc1ccc(-c2noc(Cc3nnn[n-]3)n2)cc1 ZINC000095176358 1174505214 /nfs/dbraw/zinc/50/52/14/1174505214.db2.gz IUCKBRNJAQEKDN-UHFFFAOYSA-N -1 1 272.268 1.239 20 0 CDADMM CCOc1ccc(-c2noc(Cc3nn[n-]n3)n2)cc1 ZINC000095176358 1174505219 /nfs/dbraw/zinc/50/52/19/1174505219.db2.gz IUCKBRNJAQEKDN-UHFFFAOYSA-N -1 1 272.268 1.239 20 0 CDADMM Cc1ccccc1CCN(C)Cn1cc(C(=O)[O-])nn1 ZINC001600578305 1174512340 /nfs/dbraw/zinc/51/23/40/1174512340.db2.gz DNAYRPDXNWSWLH-UHFFFAOYSA-N -1 1 274.324 1.417 20 0 CDADMM Cc1ccccc1COC(=O)N1CCN(CC(=O)[O-])CC1 ZINC001600580986 1174512949 /nfs/dbraw/zinc/51/29/49/1174512949.db2.gz SRALZVCAWPPTST-UHFFFAOYSA-N -1 1 292.335 1.334 20 0 CDADMM Cc1cnc([C@@H](C)N2CCC([C@@H](O)C(=O)[O-])CC2)cn1 ZINC001600618041 1174531246 /nfs/dbraw/zinc/53/12/46/1174531246.db2.gz CYOZAYVJHOJLIX-ZWNOBZJWSA-N -1 1 279.340 1.004 20 0 CDADMM Cc1nnc(N2CCN(CC3(CC(=O)[O-])CC3)CC2)s1 ZINC001600797373 1174615505 /nfs/dbraw/zinc/61/55/05/1174615505.db2.gz GBJMNVDQSSIAOO-UHFFFAOYSA-N -1 1 296.396 1.223 20 0 CDADMM Cc1oc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1C(=O)[O-] ZINC001600845340 1174639082 /nfs/dbraw/zinc/63/90/82/1174639082.db2.gz LFTKTSYHAKVUGI-GAFUQQFSSA-N -1 1 292.335 1.372 20 0 CDADMM Cn1cc(CNCc2n[nH]c(C3CC3)n2)cc1C(=O)[O-] ZINC001600955043 1174678993 /nfs/dbraw/zinc/67/89/93/1174678993.db2.gz RMIPBFIFFMKBQY-UHFFFAOYSA-N -1 1 275.312 1.009 20 0 CDADMM Cn1cncc1CN1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC001600993790 1174696252 /nfs/dbraw/zinc/69/62/52/1174696252.db2.gz XLMYZUZWGIQUHK-RWMBFGLXSA-N -1 1 263.341 1.495 20 0 CDADMM Cn1nccc1[C@H](NCc1cncc(Cl)c1)C(=O)[O-] ZINC001601034633 1174709461 /nfs/dbraw/zinc/70/94/61/1174709461.db2.gz OGEJVKQRNKGUGC-NSHDSACASA-N -1 1 280.715 1.384 20 0 CDADMM NC(=O)C[C@@H](NCc1ccc(C(=O)[O-])[nH]1)c1ccccc1 ZINC001601154242 1174765134 /nfs/dbraw/zinc/76/51/34/1174765134.db2.gz WPKROEZQZFPOET-CYBMUJFWSA-N -1 1 287.319 1.419 20 0 CDADMM O=C([O-])[C@@H](CF)NCc1ccc(C(=O)NC2CC2)cc1 ZINC001601433543 1174869206 /nfs/dbraw/zinc/86/92/06/1174869206.db2.gz HUXOJFINEGGZTO-GFCCVEGCSA-N -1 1 280.299 1.091 20 0 CDADMM O=C([O-])[C@@H](NCC1=NOCC1)c1ccc(Cl)c(F)c1 ZINC001601669599 1174938107 /nfs/dbraw/zinc/93/81/07/1174938107.db2.gz MKIGKWKIBUSMBB-NSHDSACASA-N -1 1 286.690 1.971 20 0 CDADMM O=C([O-])[C@H](c1ccc(F)cc1)N1CCN(CCCF)CC1 ZINC001601689467 1174945861 /nfs/dbraw/zinc/94/58/61/1174945861.db2.gz BHJAIDRTFDWJCZ-AWEZNQCLSA-N -1 1 298.333 1.929 20 0 CDADMM O=C([O-])C1(O)CCN(Cc2sccc2Cl)CC1 ZINC001601723931 1174968531 /nfs/dbraw/zinc/96/85/31/1174968531.db2.gz YFJSWXYSFQWAOV-UHFFFAOYSA-N -1 1 275.757 1.813 20 0 CDADMM O=C([O-])[C@H]1[C@H](O)CCCN1CCOc1ccc(F)cc1 ZINC001601757452 1174992084 /nfs/dbraw/zinc/99/20/84/1174992084.db2.gz XGBKJLXVBIPAJT-CHWSQXEVSA-N -1 1 283.299 1.114 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)CN1C/C=C/c1ccc(Cl)cc1 ZINC001601772565 1174999109 /nfs/dbraw/zinc/99/91/09/1174999109.db2.gz LOKQNYWSBLHFGZ-XXUGLENDSA-N -1 1 281.739 1.873 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](O)CN1Cc1ccc(CF)cc1 ZINC001601771139 1174999850 /nfs/dbraw/zinc/99/98/50/1174999850.db2.gz DEPYNOOCEYCHFO-RYUDHWBXSA-N -1 1 253.273 1.176 20 0 CDADMM O=C([O-])[C@H]1CCN1C(=O)c1cc(-c2ccccc2O)[nH]n1 ZINC001601832963 1175028362 /nfs/dbraw/zinc/02/83/62/1175028362.db2.gz DNEYDXCMOWWOOL-LLVKDONJSA-N -1 1 287.275 1.081 20 0 CDADMM O=C([O-])[C@H]1CCN1C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC001601833588 1175029889 /nfs/dbraw/zinc/02/98/89/1175029889.db2.gz IEKJAGDCKYDHEH-LLVKDONJSA-N -1 1 271.276 1.376 20 0 CDADMM O=C([O-])C[C@@H](Cc1ccccc1)NCc1ccon1 ZINC001602104908 1175131444 /nfs/dbraw/zinc/13/14/44/1175131444.db2.gz XTYKFWUWMMLMHK-CYBMUJFWSA-N -1 1 260.293 1.850 20 0 CDADMM O=C([O-])[C@@H]1CN(Cc2ncccn2)C[C@@H]1c1ccccc1 ZINC001602190375 1175156289 /nfs/dbraw/zinc/15/62/89/1175156289.db2.gz LLGPRWZRURPUSN-ZIAGYGMSSA-N -1 1 283.331 1.777 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1ccccc1CF ZINC001602192708 1175157680 /nfs/dbraw/zinc/15/76/80/1175157680.db2.gz INPVDZPVVTUCOX-NEPJUHHUSA-N -1 1 253.273 1.176 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(Cc3cnc([C@H]4CCCO4)s3)C[C@@H]21 ZINC001602207349 1175165356 /nfs/dbraw/zinc/16/53/56/1175165356.db2.gz WNSCXKNWJDPTGM-KXNHARMFSA-N -1 1 294.376 1.757 20 0 CDADMM O=C([O-])c1ccc(CNC2(CF)CCOCC2)[nH]1 ZINC001602344905 1175217109 /nfs/dbraw/zinc/21/71/09/1175217109.db2.gz WTRQSNNVPUIMGS-UHFFFAOYSA-N -1 1 256.277 1.321 20 0 CDADMM O=C([O-])c1ccc(Cn2cc(CNC3CC3)nn2)cc1F ZINC001602362227 1175223633 /nfs/dbraw/zinc/22/36/33/1175223633.db2.gz VOKZQQHHMKERJA-UHFFFAOYSA-N -1 1 290.298 1.416 20 0 CDADMM O=C([O-])c1cnc(NC(=O)c2cccc(F)c2O)s1 ZINC001602529059 1175273223 /nfs/dbraw/zinc/27/32/23/1175273223.db2.gz CDKRIVAXBNVVCP-UHFFFAOYSA-N -1 1 282.252 1.938 20 0 CDADMM O=C([O-])c1occc1CN[C@H]1COc2ccccc2[C@H]1O ZINC001602589666 1175310044 /nfs/dbraw/zinc/31/00/44/1175310044.db2.gz HNHIOTGMVWRLIM-WCQYABFASA-N -1 1 289.287 1.562 20 0 CDADMM O=C([O-])C(=Cc1ccc2nc[nH]c2c1)CN1CCC(=O)CC1 ZINC001602646313 1175336878 /nfs/dbraw/zinc/33/68/78/1175336878.db2.gz DUDMXHAPWXLOTI-KPKJPENVSA-N -1 1 299.330 1.696 20 0 CDADMM C/C(=C/C(=O)N1CCN(CC(=O)[O-])CC1)C(C)(C)C ZINC001602951749 1175456523 /nfs/dbraw/zinc/45/65/23/1175456523.db2.gz YHOIKFUFWXLYLG-LUAWRHEFSA-N -1 1 268.357 1.208 20 0 CDADMM CC(C)(C)C(F)(F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001603061332 1175484768 /nfs/dbraw/zinc/48/47/68/1175484768.db2.gz YIGARIFGMJBCOQ-UHFFFAOYSA-N -1 1 283.286 1.172 20 0 CDADMM CC(C)C[C@@H](C)OC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001603263542 1175528424 /nfs/dbraw/zinc/52/84/24/1175528424.db2.gz PPZASINJZVBORW-SNVBAGLBSA-N -1 1 289.339 1.782 20 0 CDADMM CC(C)C[C@@H](C)OC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001603263542 1175528429 /nfs/dbraw/zinc/52/84/29/1175528429.db2.gz PPZASINJZVBORW-SNVBAGLBSA-N -1 1 289.339 1.782 20 0 CDADMM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC001603541780 1175562710 /nfs/dbraw/zinc/56/27/10/1175562710.db2.gz XFFXTAQRLRORQD-SECBINFHSA-N -1 1 288.355 1.674 20 0 CDADMM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001603541780 1175562717 /nfs/dbraw/zinc/56/27/17/1175562717.db2.gz XFFXTAQRLRORQD-SECBINFHSA-N -1 1 288.355 1.674 20 0 CDADMM CC(C)(C)n1nnnc1CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001603574132 1175567877 /nfs/dbraw/zinc/56/78/77/1175567877.db2.gz GDVYQQGKAKCTPL-SNVBAGLBSA-N -1 1 293.371 1.115 20 0 CDADMM CC(C)(N)c1nocc1C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001603668877 1175591975 /nfs/dbraw/zinc/59/19/75/1175591975.db2.gz LEKAXGQGJBTWDE-SECBINFHSA-N -1 1 295.339 1.099 20 0 CDADMM CCS(=O)(=O)[N-]c1c(C)csc1C(=O)OC ZINC000128692366 1175623485 /nfs/dbraw/zinc/62/34/85/1175623485.db2.gz ZSJPTYMHMJYKCZ-UHFFFAOYSA-N -1 1 263.340 1.605 20 0 CDADMM CC1(C2(NC(=O)c3cccc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001603796225 1175635533 /nfs/dbraw/zinc/63/55/33/1175635533.db2.gz YRZGVAZALNYWAG-UHFFFAOYSA-N -1 1 284.323 1.324 20 0 CDADMM CC1(C2(NC(=O)c3cccc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001603796225 1175635536 /nfs/dbraw/zinc/63/55/36/1175635536.db2.gz YRZGVAZALNYWAG-UHFFFAOYSA-N -1 1 284.323 1.324 20 0 CDADMM CC1(NC(=O)c2ccc(-c3nnn[n-]3)o2)CCCC1 ZINC001603815693 1175641147 /nfs/dbraw/zinc/64/11/47/1175641147.db2.gz RDAJWEVWDJAPQA-UHFFFAOYSA-N -1 1 261.285 1.522 20 0 CDADMM CC1(NC(=O)c2ccc(-c3nn[n-]n3)o2)CCCC1 ZINC001603815693 1175641149 /nfs/dbraw/zinc/64/11/49/1175641149.db2.gz RDAJWEVWDJAPQA-UHFFFAOYSA-N -1 1 261.285 1.522 20 0 CDADMM CC1(NC(=O)c2csc(-c3nn[n-]n3)c2)CCCC1 ZINC001603818441 1175644129 /nfs/dbraw/zinc/64/41/29/1175644129.db2.gz FSDVNGPONUIHJG-UHFFFAOYSA-N -1 1 277.353 1.991 20 0 CDADMM CC(C)OC[C@H](N)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 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/nfs/dbraw/zinc/25/67/12/963256712.db2.gz AHQKXIYMIASCEV-UHFFFAOYSA-N -1 1 279.277 1.503 20 0 CDADMM Cn1cnnc1[C@H]1CCCN1CC1(CC(=O)[O-])CC1 ZINC000311557327 963489479 /nfs/dbraw/zinc/48/94/79/963489479.db2.gz RBXOVENJTKVYEB-SNVBAGLBSA-N -1 1 264.329 1.207 20 0 CDADMM COc1cc(CNCc2cc(C(=O)[O-])c(C)[nH]2)ccn1 ZINC000312941418 963607080 /nfs/dbraw/zinc/60/70/80/963607080.db2.gz ZYWXRKKFFKFRSM-UHFFFAOYSA-N -1 1 275.308 1.715 20 0 CDADMM CSc1ncc(C(=O)NCCc2ccccn2)c(=O)[n-]1 ZINC001440477160 964070207 /nfs/dbraw/zinc/07/02/07/964070207.db2.gz GJAOJGWYTUASSM-UHFFFAOYSA-N -1 1 290.348 1.272 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC001346509682 965151108 /nfs/dbraw/zinc/15/11/08/965151108.db2.gz RFUWDQDCJKOUIK-VXNVDRBHSA-N -1 1 297.380 1.324 20 0 CDADMM CC[C@H](F)C(=O)N[C@@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC001443779189 965603654 /nfs/dbraw/zinc/60/36/54/965603654.db2.gz NGPIFHQIXFKRBD-UWVGGRQHSA-N -1 1 297.330 1.112 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H]1CCS[C@@H]1C ZINC001347715886 965668529 /nfs/dbraw/zinc/66/85/29/965668529.db2.gz GQNGMRKFCNITKJ-RNFRBKRXSA-N -1 1 285.394 1.403 20 0 CDADMM CN1CCC[C@@H]1C(=O)Nc1ccc([C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC001550380497 965896690 /nfs/dbraw/zinc/89/66/90/965896690.db2.gz WCAJWDKKNIYRCQ-HZSPNIEDSA-N -1 1 288.347 1.907 20 0 CDADMM CN1CCCC[C@@H]1C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@H]12 ZINC001550383614 965904281 /nfs/dbraw/zinc/90/42/81/965904281.db2.gz LAXPLHSSQRFIKN-XUJVJEKNSA-N -1 1 280.368 1.327 20 0 CDADMM CCN(CC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@H]12)C1CC1 ZINC001550384168 965904853 /nfs/dbraw/zinc/90/48/53/965904853.db2.gz WGRLJIIMEUGUNF-WFASDCNBSA-N -1 1 280.368 1.327 20 0 CDADMM CC(C)CC1(C(=O)OCc2nn[n-]n2)CCCC1 ZINC001348849693 966204077 /nfs/dbraw/zinc/20/40/77/966204077.db2.gz IPBFCFNSQLHYSD-UHFFFAOYSA-N -1 1 252.318 1.849 20 0 CDADMM O=C(Cc1c[nH]c2ccccc12)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001349002331 966250355 /nfs/dbraw/zinc/25/03/55/966250355.db2.gz 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/nfs/dbraw/zinc/15/06/38/967150638.db2.gz PICLUASFNAERPL-GXSJLCMTSA-N -1 1 283.755 1.817 20 0 CDADMM CCCCCNC(=S)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001200067335 967351246 /nfs/dbraw/zinc/35/12/46/967351246.db2.gz KCFGAGHOBUUZIO-UHFFFAOYSA-N -1 1 280.357 1.535 20 0 CDADMM CC(C)(NC(=O)c1ccc([O-])cc1F)c1ncc[nH]1 ZINC001449501377 967475123 /nfs/dbraw/zinc/47/51/23/967475123.db2.gz HSYCQQJUHCOBOO-UHFFFAOYSA-N -1 1 263.272 1.920 20 0 CDADMM Cc1[nH]ncc1CNC(=O)NCCCCCC(=O)[O-] ZINC000042357428 967521661 /nfs/dbraw/zinc/52/16/61/967521661.db2.gz DPJNOTWKEKOIPR-UHFFFAOYSA-N -1 1 268.317 1.162 20 0 CDADMM O=C([O-])[C@H]1CCCCN1C(=O)c1c(O)cccc1F ZINC000236437903 967774303 /nfs/dbraw/zinc/77/43/03/967774303.db2.gz WAIJNUAOJGOVKR-SECBINFHSA-N -1 1 267.256 1.611 20 0 CDADMM Cc1ccccc1C[C@H](C)C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001548761556 967835689 /nfs/dbraw/zinc/83/56/89/967835689.db2.gz DXZMWJIUJHKQES-GXTWGEPZSA-N -1 1 299.378 1.703 20 0 CDADMM CC(C)c1cc(C(=O)N2C[C@H](C(=O)[O-])[C@H](C3CC3)C2)n[nH]1 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ZINC001467795028 970103462 /nfs/dbraw/zinc/10/34/62/970103462.db2.gz YSSWGBWGAZGQLU-UHFFFAOYSA-N -1 1 292.318 1.108 20 0 CDADMM CCC1(CNC(=O)c2c(C)[n-]c(=O)nc2SC)COC1 ZINC001468146492 970129619 /nfs/dbraw/zinc/12/96/19/970129619.db2.gz XMCGULRCDVIDER-UHFFFAOYSA-N -1 1 297.380 1.369 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NN1CCCC[C@H]1C ZINC001520323313 970170500 /nfs/dbraw/zinc/17/05/00/970170500.db2.gz GAELZVMAUWMBHK-SSDOTTSWSA-N -1 1 282.369 1.299 20 0 CDADMM O=C(NCc1nc(C(F)F)no1)c1c([O-])cccc1F ZINC001469257308 970238002 /nfs/dbraw/zinc/23/80/02/970238002.db2.gz MIWVBKLIBRIELG-UHFFFAOYSA-N -1 1 287.197 1.782 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CC[C@@H](C)[C@H]1C ZINC001521177203 970266409 /nfs/dbraw/zinc/26/64/09/970266409.db2.gz HSBKAXSKBSJREH-HTRCEHHLSA-N -1 1 267.354 1.650 20 0 CDADMM O=C([O-])CCCOC(=O)Cc1n[nH]c2c1CCCC2 ZINC001608715525 970411419 /nfs/dbraw/zinc/41/14/19/970411419.db2.gz OMCDMTISKDIDCC-UHFFFAOYSA-N -1 1 266.297 1.239 20 0 CDADMM C[C@H](CNC(=O)c1ccc([O-])cn1)N1CCc2ccccc21 ZINC001361708426 970445833 /nfs/dbraw/zinc/44/58/33/970445833.db2.gz XRIYXDAEMSNAHD-GFCCVEGCSA-N -1 1 297.358 1.968 20 0 CDADMM C[C@@H](CC(=O)[O-])N[C@@H](c1ncc[nH]1)c1ccccc1 ZINC001609888671 970587396 /nfs/dbraw/zinc/58/73/96/970587396.db2.gz PFFDALYSKGKPEB-GXFFZTMASA-N -1 1 259.309 1.952 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cnc2n1CCCCC2 ZINC001472570047 970668055 /nfs/dbraw/zinc/66/80/55/970668055.db2.gz AYMJGQOYYBRVJF-UHFFFAOYSA-N -1 1 261.285 1.291 20 0 CDADMM C[C@@H](CNC(=O)c1c(F)ccc([O-])c1F)Cn1ccnc1 ZINC001361915597 970671078 /nfs/dbraw/zinc/67/10/78/970671078.db2.gz VHEAUXWDWGFDBN-VIFPVBQESA-N -1 1 295.289 1.933 20 0 CDADMM COc1ccncc1NC(=O)c1cnc(SC)[n-]c1=O ZINC001361944656 970701840 /nfs/dbraw/zinc/70/18/40/970701840.db2.gz UEJQXDBWCCTUCA-UHFFFAOYSA-N -1 1 292.320 1.560 20 0 CDADMM CCOC(=O)c1nn(C)cc1CN([C@@H](C)C(=O)[O-])C1CC1 ZINC001610341683 970726544 /nfs/dbraw/zinc/72/65/44/970726544.db2.gz JKVXYBLDINPWSU-VIFPVBQESA-N -1 1 295.339 1.034 20 0 CDADMM Cc1cc(CNC(=O)c2coc(C=CC(=O)[O-])c2)[nH]n1 ZINC001605172102 972875600 /nfs/dbraw/zinc/87/56/00/972875600.db2.gz HSRPWOSBLABKJY-NSCUHMNNSA-N -1 1 275.264 1.339 20 0 CDADMM O=C([O-])[C@]1(NC[C@@H](O)c2cc3ccccc3o2)CCOC1 ZINC001605959553 972929738 /nfs/dbraw/zinc/92/97/38/972929738.db2.gz KYCDPCNIGCSPFG-ABAIWWIYSA-N -1 1 291.303 1.300 20 0 CDADMM C[C@H](NCCC1(O)CCC1)c1ncc(C(=O)[O-])s1 ZINC000397713854 973015048 /nfs/dbraw/zinc/01/50/48/973015048.db2.gz QVUZNFWJBMPNDX-QMMMGPOBSA-N -1 1 270.354 1.797 20 0 CDADMM CCCCC(=O)N(CC)CCNC(=O)c1ncccc1[O-] ZINC001496721093 973068213 /nfs/dbraw/zinc/06/82/13/973068213.db2.gz OYUWAMYQKYOMPL-UHFFFAOYSA-N -1 1 293.367 1.556 20 0 CDADMM Cn1cc(CNC(=O)Cc2ccc([O-])c(Cl)c2)cn1 ZINC001417617818 973201912 /nfs/dbraw/zinc/20/19/12/973201912.db2.gz MEVBFNBPZIOSID-UHFFFAOYSA-N -1 1 279.727 1.638 20 0 CDADMM COC(=O)Nc1ccc(C(=O)Nc2nnn[n-]2)c(Cl)c1 ZINC001417649995 973240311 /nfs/dbraw/zinc/24/03/11/973240311.db2.gz CVTOXLDUJQUVJB-UHFFFAOYSA-N -1 1 296.674 1.284 20 0 CDADMM COC(=O)Nc1ccc(C(=O)Nc2nn[n-]n2)c(Cl)c1 ZINC001417649995 973240323 /nfs/dbraw/zinc/24/03/23/973240323.db2.gz CVTOXLDUJQUVJB-UHFFFAOYSA-N -1 1 296.674 1.284 20 0 CDADMM CN(CCNC(=O)CC(C)(C)C)C(=O)c1ncccc1[O-] ZINC001373356245 973385894 /nfs/dbraw/zinc/38/58/94/973385894.db2.gz NNOJKOPUTYOLRH-UHFFFAOYSA-N -1 1 293.367 1.412 20 0 CDADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)[C@H]1CC1(C)C ZINC001373413372 973424345 /nfs/dbraw/zinc/42/43/45/973424345.db2.gz IQTPAPQPVLOJPC-SNVBAGLBSA-N -1 1 291.351 1.022 20 0 CDADMM CC[C@@H](C)[C@H](CNC(=O)c1cnc(SC)[n-]c1=O)OC ZINC001417873359 973436571 /nfs/dbraw/zinc/43/65/71/973436571.db2.gz USKYNJMTBLIHNB-SCZZXKLOSA-N -1 1 299.396 1.695 20 0 CDADMM CC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(CN(C)C)nc1 ZINC001603496504 973448628 /nfs/dbraw/zinc/44/86/28/973448628.db2.gz KJOUJFTVLZYWND-GFCCVEGCSA-N -1 1 279.340 1.078 20 0 CDADMM COC[C@@]1(C(=O)[O-])CCN(Cc2noc3c2CCCC3)C1 ZINC001604541100 973514137 /nfs/dbraw/zinc/51/41/37/973514137.db2.gz 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257.301 1.059 20 0 CDADMM C[C@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001590253190 1173318973 /nfs/dbraw/zinc/31/89/73/1173318973.db2.gz NJHDIFBXTXRXST-UWVGGRQHSA-N -1 1 273.344 1.459 20 0 CDADMM CCC(C)(C)OCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001590379372 1173380316 /nfs/dbraw/zinc/38/03/16/1173380316.db2.gz YEDUUPQLHBBMKA-UHFFFAOYSA-N -1 1 277.332 1.274 20 0 CDADMM CCC(C)(C)OCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001590379372 1173380322 /nfs/dbraw/zinc/38/03/22/1173380322.db2.gz YEDUUPQLHBBMKA-UHFFFAOYSA-N -1 1 277.332 1.274 20 0 CDADMM CCC(C)(C)CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590375265 1173380352 /nfs/dbraw/zinc/38/03/52/1173380352.db2.gz DORJTZZHTNOUIO-UHFFFAOYSA-N -1 1 263.301 1.626 20 0 CDADMM CCC(C)(C)CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590375265 1173380357 /nfs/dbraw/zinc/38/03/57/1173380357.db2.gz DORJTZZHTNOUIO-UHFFFAOYSA-N -1 1 263.301 1.626 20 0 CDADMM Cc1noc([N-]C(=O)c2csc([C@@H]3CCCO3)n2)n1 ZINC000121496104 279254962 /nfs/dbraw/zinc/25/49/62/279254962.db2.gz UPMRNUMDHSVJBR-QMMMGPOBSA-N -1 1 280.309 1.938 20 0 CDADMM Cc1cc(C)cc(CN2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000091296928 279282689 /nfs/dbraw/zinc/28/26/89/279282689.db2.gz PNRGKRYJEPOUKI-AWEZNQCLSA-N -1 1 263.337 1.979 20 0 CDADMM COc1ccc(-c2nc(-c3nccn3C)no2)c([O-])c1 ZINC000122835135 279425453 /nfs/dbraw/zinc/42/54/53/279425453.db2.gz ZSRXTJXCFRYXSA-UHFFFAOYSA-N -1 1 272.264 1.851 20 0 CDADMM CCC(CC)(CO)C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001590428630 1173406253 /nfs/dbraw/zinc/40/62/53/1173406253.db2.gz OBKSXYIAJYSTJN-UHFFFAOYSA-N -1 1 294.311 1.302 20 0 CDADMM CCC(CC)(CO)C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001590428630 1173406258 /nfs/dbraw/zinc/40/62/58/1173406258.db2.gz OBKSXYIAJYSTJN-UHFFFAOYSA-N -1 1 294.311 1.302 20 0 CDADMM CC[C@H](C[NH2+]Cc1csc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001590446312 1173410759 /nfs/dbraw/zinc/41/07/59/1173410759.db2.gz JVMCFWLPIGLUSB-MRVPVSSYSA-N -1 1 281.341 1.129 20 0 CDADMM O=C(c1ncccc1[O-])N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000378236581 280243659 /nfs/dbraw/zinc/24/36/59/280243659.db2.gz OQMXVYSOVIUOOU-MNOVXSKESA-N -1 1 262.309 1.286 20 0 CDADMM COCCn1cc(C(=O)Nc2cccc(F)c2[O-])c(C)n1 ZINC000530006266 281414438 /nfs/dbraw/zinc/41/44/38/281414438.db2.gz RCVSHRMPYTYBPN-UHFFFAOYSA-N -1 1 293.298 1.935 20 0 CDADMM O=C(N[C@@H]1C=CCCC1)c1nc2ccccc2c(=O)[n-]1 ZINC000152531988 289137390 /nfs/dbraw/zinc/13/73/90/289137390.db2.gz BQUKVNIATQSJGN-SNVBAGLBSA-N -1 1 269.304 1.762 20 0 CDADMM CC1(C)CCCN(C(=O)c2cc(=O)n3[n-]cnc3n2)CC1 ZINC000544744074 289651614 /nfs/dbraw/zinc/65/16/14/289651614.db2.gz YFKGLPLKLGAKCN-UHFFFAOYSA-N -1 1 289.339 1.070 20 0 CDADMM CCc1nncn1CCNC(=O)c1c([O-])cccc1F ZINC000547798515 289809677 /nfs/dbraw/zinc/80/96/77/289809677.db2.gz UBPVNYFQQHQEED-UHFFFAOYSA-N -1 1 278.287 1.115 20 0 CDADMM c1cc(-c2nc(CN=c3nc(C4CC4)[n-]s3)n[nH]2)ccn1 ZINC000556863508 290312233 /nfs/dbraw/zinc/31/22/33/290312233.db2.gz CODKLDITLITCKU-UHFFFAOYSA-N -1 1 299.363 1.630 20 0 CDADMM Cc1o[n-]c(=N)c1S(=O)(=O)NC[C@@H]1CCC[C@@H]1C1CC1 ZINC000557088292 290327344 /nfs/dbraw/zinc/32/73/44/290327344.db2.gz HWXPUXIBKGPBER-WDEREUQCSA-N -1 1 299.396 1.500 20 0 CDADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]1C1CC1 ZINC000557088292 290327346 /nfs/dbraw/zinc/32/73/46/290327346.db2.gz HWXPUXIBKGPBER-WDEREUQCSA-N -1 1 299.396 1.500 20 0 CDADMM CC/C=C(/C)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001590535547 1173455112 /nfs/dbraw/zinc/45/51/12/1173455112.db2.gz YJWUXDKTJYDOPP-DAXSKMNVSA-N -1 1 279.325 1.723 20 0 CDADMM CC/C=C(/C)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001590535547 1173455116 /nfs/dbraw/zinc/45/51/16/1173455116.db2.gz YJWUXDKTJYDOPP-DAXSKMNVSA-N -1 1 279.325 1.723 20 0 CDADMM CCC[C@H](CCO)Nc1ccc(C)nc1-c1nnn[n-]1 ZINC001590557248 1173459319 /nfs/dbraw/zinc/45/93/19/1173459319.db2.gz LMNHWOUBTGLWJP-SNVBAGLBSA-N -1 1 276.344 1.533 20 0 CDADMM CCC[C@H](CCO)Nc1ccc(C)nc1-c1nn[n-]n1 ZINC001590557248 1173459326 /nfs/dbraw/zinc/45/93/26/1173459326.db2.gz LMNHWOUBTGLWJP-SNVBAGLBSA-N -1 1 276.344 1.533 20 0 CDADMM CC(C)(C)c1nnc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])[nH]1 ZINC000563288760 293335594 /nfs/dbraw/zinc/33/55/94/293335594.db2.gz OPQXKPZLAIXJCL-HOSYDEDBSA-N -1 1 292.383 1.787 20 0 CDADMM CCCC[C@@H](C)N(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590577244 1173468608 /nfs/dbraw/zinc/46/86/08/1173468608.db2.gz RWVJEUDHCHPION-SNVBAGLBSA-N -1 1 275.360 1.980 20 0 CDADMM CCCC[C@@H](C)N(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590577244 1173468619 /nfs/dbraw/zinc/46/86/19/1173468619.db2.gz RWVJEUDHCHPION-SNVBAGLBSA-N -1 1 275.360 1.980 20 0 CDADMM Cc1cnc(SCCCN2CCCC2=O)[n-]c1=O ZINC000568270354 294004915 /nfs/dbraw/zinc/00/49/15/294004915.db2.gz CNTIFIZGFQXQCW-UHFFFAOYSA-N -1 1 267.354 1.595 20 0 CDADMM COc1ccc(OC)c(CCN=c2[nH]c(C(=O)[O-])co2)c1 ZINC000568396569 294028702 /nfs/dbraw/zinc/02/87/02/294028702.db2.gz NWFXNNBJGWVEHD-UHFFFAOYSA-N -1 1 292.291 1.467 20 0 CDADMM CCCC[C@@](C)(CO)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590573750 1173470048 /nfs/dbraw/zinc/47/00/48/1173470048.db2.gz IRRNQZIWILODTQ-ZDUSSCGKSA-N -1 1 291.359 1.318 20 0 CDADMM CCCC[C@@](C)(CO)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590573750 1173470053 /nfs/dbraw/zinc/47/00/53/1173470053.db2.gz IRRNQZIWILODTQ-ZDUSSCGKSA-N -1 1 291.359 1.318 20 0 CDADMM CC[C@H](Nc1nc2[nH][n-]cc-2c(=O)n1)[C@H]1CC1(C)C ZINC000571031265 294353607 /nfs/dbraw/zinc/35/36/07/294353607.db2.gz KPBNIGGIZQJJOK-BDAKNGLRSA-N -1 1 261.329 1.669 20 0 CDADMM CCCCOC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001590607664 1173474708 /nfs/dbraw/zinc/47/47/08/1173474708.db2.gz UAGTZGNDUBPZHE-UHFFFAOYSA-N -1 1 252.299 1.885 20 0 CDADMM CCCCOC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590607664 1173474713 /nfs/dbraw/zinc/47/47/13/1173474713.db2.gz UAGTZGNDUBPZHE-UHFFFAOYSA-N -1 1 252.299 1.885 20 0 CDADMM Cc1nc(S(=O)(=O)[N-][C@H]2CC[C@H](F)C2)sc1C ZINC000574301312 294980404 /nfs/dbraw/zinc/98/04/04/294980404.db2.gz BGUUQCFXTWHDHS-IUCAKERBSA-N -1 1 278.374 1.929 20 0 CDADMM O=C(Nc1nc2n(n1)CCCC2)c1ccc([O-])cc1F ZINC000574653554 295035172 /nfs/dbraw/zinc/03/51/72/295035172.db2.gz XDQJCLXJPQAZRY-UHFFFAOYSA-N -1 1 276.271 1.711 20 0 CDADMM O=C(C[C@H]1CSc2ccccc2O1)Nc1nnn[n-]1 ZINC000574837837 295062158 /nfs/dbraw/zinc/06/21/58/295062158.db2.gz GEXZXCPJKRLCTC-ZETCQYMHSA-N -1 1 277.309 1.082 20 0 CDADMM O=C(C[C@H]1CSc2ccccc2O1)Nc1nn[n-]n1 ZINC000574837837 295062159 /nfs/dbraw/zinc/06/21/59/295062159.db2.gz GEXZXCPJKRLCTC-ZETCQYMHSA-N -1 1 277.309 1.082 20 0 CDADMM O=S(=O)(CCC1Cc2ccccc2C1)[N-]CC(F)F ZINC000574847742 295063057 /nfs/dbraw/zinc/06/30/57/295063057.db2.gz UVBOYTVMOXOKQS-UHFFFAOYSA-N -1 1 289.347 1.976 20 0 CDADMM C[C@H]1CNCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000126394537 300322096 /nfs/dbraw/zinc/32/20/96/300322096.db2.gz JFIKFJXYMREHGV-QMMMGPOBSA-N -1 1 277.349 1.550 20 0 CDADMM CSC[C@H](C)COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591694569 1173683740 /nfs/dbraw/zinc/68/37/40/1173683740.db2.gz FIVOIFQSMHJRAR-MRVPVSSYSA-N -1 1 293.352 1.418 20 0 CDADMM CSC[C@H](C)COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591694569 1173683747 /nfs/dbraw/zinc/68/37/47/1173683747.db2.gz FIVOIFQSMHJRAR-MRVPVSSYSA-N -1 1 293.352 1.418 20 0 CDADMM CSC[C@H](C)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591695244 1173684635 /nfs/dbraw/zinc/68/46/35/1173684635.db2.gz DPSJIIUFKPFBJO-ZETCQYMHSA-N -1 1 291.384 1.698 20 0 CDADMM CSC[C@H](C)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591695244 1173684643 /nfs/dbraw/zinc/68/46/43/1173684643.db2.gz DPSJIIUFKPFBJO-ZETCQYMHSA-N -1 1 291.384 1.698 20 0 CDADMM CSCC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591698931 1173685961 /nfs/dbraw/zinc/68/59/61/1173685961.db2.gz CNGHCXXAKCRRAQ-SSDOTTSWSA-N -1 1 281.341 1.331 20 0 CDADMM CSCC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591698931 1173685969 /nfs/dbraw/zinc/68/59/69/1173685969.db2.gz CNGHCXXAKCRRAQ-SSDOTTSWSA-N -1 1 281.341 1.331 20 0 CDADMM CSC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001591697894 1173687650 /nfs/dbraw/zinc/68/76/50/1173687650.db2.gz ZSENDHCCDOJYGM-SECBINFHSA-N -1 1 291.384 1.236 20 0 CDADMM CSC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001591697894 1173687655 /nfs/dbraw/zinc/68/76/55/1173687655.db2.gz ZSENDHCCDOJYGM-SECBINFHSA-N -1 1 291.384 1.236 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@]2(C)C(C)C)n1 ZINC001591892920 1173741666 /nfs/dbraw/zinc/74/16/66/1173741666.db2.gz ULWNWGQSNMREGC-GXFFZTMASA-N -1 1 273.344 1.812 20 0 CDADMM Cc1ccc(-c2cc(=NC(=O)[C@H](N)C3CCC3)[nH][n-]2)s1 ZINC000569689887 316827958 /nfs/dbraw/zinc/82/79/58/316827958.db2.gz BBUGMMLSQBWWPT-CYBMUJFWSA-N -1 1 290.392 1.934 20 0 CDADMM COCCN(CC(=O)[O-])C[C@H](O)[C@H](C)c1ccccc1 ZINC000575929176 317041792 /nfs/dbraw/zinc/04/17/92/317041792.db2.gz RCXUUIWHTLHOGY-OCCSQVGLSA-N -1 1 281.352 1.184 20 0 CDADMM C[C@@H]1CCN(Cc2ncccc2[O-])CC[S@]1=O ZINC000576147910 317084552 /nfs/dbraw/zinc/08/45/52/317084552.db2.gz RWSFHEOHEBRCOH-BMLIUANNSA-N -1 1 254.355 1.130 20 0 CDADMM CC[C@H](CS(=O)(=O)[N-]c1c[nH]nc1C1CC1)OC ZINC000576718215 317195962 /nfs/dbraw/zinc/19/59/62/317195962.db2.gz WLIFPOJGDPCHLY-SECBINFHSA-N -1 1 273.358 1.454 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001592114625 1173806097 /nfs/dbraw/zinc/80/60/97/1173806097.db2.gz RIDHMMYOKFONJC-ILWJIGKKSA-N -1 1 256.313 1.781 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(CCOC(C)C)c1C ZINC001592340133 1173853495 /nfs/dbraw/zinc/85/34/95/1173853495.db2.gz WAIRVJWQCKTLSA-UHFFFAOYSA-N -1 1 250.306 1.105 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(CCOC(C)C)c1C ZINC001592340133 1173853499 /nfs/dbraw/zinc/85/34/99/1173853499.db2.gz WAIRVJWQCKTLSA-UHFFFAOYSA-N -1 1 250.306 1.105 20 0 CDADMM CCOC(=O)c1cc(NC(=O)[C@@H](C)CSC)n[nH]1 ZINC000180941040 323224126 /nfs/dbraw/zinc/22/41/26/323224126.db2.gz PYDQBGOZRGRGBA-ZETCQYMHSA-N -1 1 271.342 1.524 20 0 CDADMM CC(=O)N1CCN(C(=O)c2cc(F)ccc2[O-])C(C)(C)C1 ZINC000182419768 323279916 /nfs/dbraw/zinc/27/99/16/323279916.db2.gz ALPIUIXKXARVAN-UHFFFAOYSA-N -1 1 294.326 1.614 20 0 CDADMM Cc1nc(NCC2CCCCC2)cc(-c2nnn[n-]2)n1 ZINC001592387105 1173874887 /nfs/dbraw/zinc/87/48/87/1173874887.db2.gz CZXHBDQUGAQVJT-UHFFFAOYSA-N -1 1 273.344 1.957 20 0 CDADMM Cc1nc(NCC2CCCCC2)cc(-c2nn[n-]n2)n1 ZINC001592387105 1173874890 /nfs/dbraw/zinc/87/48/90/1173874890.db2.gz CZXHBDQUGAQVJT-UHFFFAOYSA-N -1 1 273.344 1.957 20 0 CDADMM CCOC[C@H](O)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000381299008 323624651 /nfs/dbraw/zinc/62/46/51/323624651.db2.gz ZRDAGMQXGSMUCL-SECBINFHSA-N -1 1 273.716 1.173 20 0 CDADMM Cc1nc(N[C@@H]2CC[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001592382987 1173877462 /nfs/dbraw/zinc/87/74/62/1173877462.db2.gz XMLWIAGXEMGIOT-VXNVDRBHSA-N -1 1 259.317 1.566 20 0 CDADMM Cc1nc(N[C@@H]2CC[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001592382987 1173877469 /nfs/dbraw/zinc/87/74/69/1173877469.db2.gz XMLWIAGXEMGIOT-VXNVDRBHSA-N -1 1 259.317 1.566 20 0 CDADMM Cc1ccc([C@H](N)C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC000397079033 323860251 /nfs/dbraw/zinc/86/02/51/323860251.db2.gz GSCWZSRNWQKSGS-BNOWGMLFSA-N -1 1 290.363 1.707 20 0 CDADMM Cc1nnsc1CSc1ncc(C)c(=O)[n-]1 ZINC000579025598 324087805 /nfs/dbraw/zinc/08/78/05/324087805.db2.gz HCCLZDYEYIEBBO-UHFFFAOYSA-N -1 1 254.340 1.943 20 0 CDADMM C[C@@H](C(=O)[O-])C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000582904649 325066914 /nfs/dbraw/zinc/06/69/14/325066914.db2.gz DXPQDQQVHLIJAV-LLVKDONJSA-N -1 1 268.357 1.184 20 0 CDADMM COc1cncc(C(=O)[N-]c2c(C)noc2C2CC2)n1 ZINC000583727980 325228811 /nfs/dbraw/zinc/22/88/11/325228811.db2.gz UBEDIOJKQTUJNL-UHFFFAOYSA-N -1 1 274.280 1.911 20 0 CDADMM Cc1nsc(Nc2cnn(C(F)F)c2)c1-c1nn[n-]n1 ZINC001592494036 1173904895 /nfs/dbraw/zinc/90/48/95/1173904895.db2.gz JZEBYDWCURDZMY-UHFFFAOYSA-N -1 1 298.282 1.967 20 0 CDADMM CSC[C@@H](CCO)NC(=O)c1cc(Cl)ccc1[O-] ZINC000156709793 533711413 /nfs/dbraw/zinc/71/14/13/533711413.db2.gz BNSBRHOLDPTNKU-SECBINFHSA-N -1 1 289.784 1.889 20 0 CDADMM Cn1cnc(C(=O)Nc2nc(Br)ccc2[O-])c1 ZINC000189979118 782117184 /nfs/dbraw/zinc/11/71/84/782117184.db2.gz WGRVYYGGENEJBQ-UHFFFAOYSA-N -1 1 297.112 1.536 20 0 CDADMM O=c1[n-]cncc1OC[C@@H]1COc2cscc2O1 ZINC001227051923 1160282200 /nfs/dbraw/zinc/28/22/00/1160282200.db2.gz SIXOAGQBCPCIFT-SSDOTTSWSA-N -1 1 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288.413 1.183 20 0 CDADMM CN(C)[C@@H](CNc1cnc(C(=O)[O-])cn1)c1ccco1 ZINC000830584964 601929612 /nfs/dbraw/zinc/92/96/12/601929612.db2.gz IQXOAOYFUAFZIS-JTQLQIEISA-N -1 1 276.296 1.483 20 0 CDADMM C[C@]1(C(=O)[O-])CCN(Cc2nc(-c3ccoc3)no2)C1 ZINC000828029028 601952956 /nfs/dbraw/zinc/95/29/56/601952956.db2.gz NJKHFZJDMRGFBT-ZDUSSCGKSA-N -1 1 277.280 1.626 20 0 CDADMM Clc1ncccc1OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826354257 607548008 /nfs/dbraw/zinc/54/80/08/607548008.db2.gz VKDHMVZQEKQYPV-UHFFFAOYSA-N -1 1 288.698 1.889 20 0 CDADMM Clc1ncccc1OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826354257 607548009 /nfs/dbraw/zinc/54/80/09/607548009.db2.gz VKDHMVZQEKQYPV-UHFFFAOYSA-N -1 1 288.698 1.889 20 0 CDADMM CC[C@H](C(=O)Nc1ccc(CC(=O)[O-])cc1)N(C)C ZINC000828587393 602180718 /nfs/dbraw/zinc/18/07/18/602180718.db2.gz RPHNSCMUTCSAEA-GFCCVEGCSA-N -1 1 264.325 1.592 20 0 CDADMM C[C@H](CC(=O)[O-])C(=O)Nc1cc(CN(C)C)ccn1 ZINC000827311687 602184784 /nfs/dbraw/zinc/18/47/84/602184784.db2.gz VTCYJYJJVKPWCM-SECBINFHSA-N -1 1 265.313 1.193 20 0 CDADMM CC[C@@H](C)[C@H](NCC(=O)NC1CCCCC1)C(=O)[O-] ZINC000828736369 602297031 /nfs/dbraw/zinc/29/70/31/602297031.db2.gz GKZDXPQYMNANDQ-MFKMUULPSA-N -1 1 270.373 1.524 20 0 CDADMM O=C([O-])Nc1cccc(NC(=O)NCCc2nc[nH]n2)c1 ZINC000833287798 602388013 /nfs/dbraw/zinc/38/80/13/602388013.db2.gz IBDPFYMEGXIDEN-UHFFFAOYSA-N -1 1 290.283 1.259 20 0 CDADMM O=C([O-])[C@@H]1CN([C@@H]2CCOC2=O)C[C@@H]1c1ccccc1 ZINC001602661855 1175341551 /nfs/dbraw/zinc/34/15/51/1175341551.db2.gz VYLBDQDRHVTONL-JHJVBQTASA-N -1 1 275.304 1.102 20 0 CDADMM CCOC(=O)[C@@H]1CCCN(Cc2occc2C(=O)[O-])C1 ZINC000829869585 604356815 /nfs/dbraw/zinc/35/68/15/604356815.db2.gz ANSWEKRKEVCFPS-SNVBAGLBSA-N -1 1 281.308 1.753 20 0 CDADMM C[C@@H]1CN(Cc2cc(C(=O)[O-])co2)[C@H](C)CN1C ZINC000833629718 604569882 /nfs/dbraw/zinc/56/98/82/604569882.db2.gz LYVKSPPEWUXTMV-NXEZZACHSA-N -1 1 252.314 1.502 20 0 CDADMM CC(=CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])c1ccccc1 ZINC000833381367 604896017 /nfs/dbraw/zinc/89/60/17/604896017.db2.gz GKGVTZMJLPMATP-JOHMGYAOSA-N -1 1 299.330 1.625 20 0 CDADMM CC(C)N(CCO)CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000826951780 604967936 /nfs/dbraw/zinc/96/79/36/604967936.db2.gz PJYXBJVLSOACKQ-UHFFFAOYSA-N -1 1 294.351 1.050 20 0 CDADMM O=C([O-])[C@H](O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000833770746 604982492 /nfs/dbraw/zinc/98/24/92/604982492.db2.gz MRSOJZYYJNDDAM-CYBMUJFWSA-N -1 1 283.755 1.998 20 0 CDADMM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC000134966121 604998752 /nfs/dbraw/zinc/99/87/52/604998752.db2.gz KDSAUGBWOWKFPN-JTQLQIEISA-N -1 1 279.340 1.302 20 0 CDADMM CCCn1c(C)nnc1CN1CCC[C@H]1CC(=O)[O-] ZINC000833652848 605049313 /nfs/dbraw/zinc/04/93/13/605049313.db2.gz OTKDARROJWOGFG-NSHDSACASA-N -1 1 266.345 1.436 20 0 CDADMM CC(C)C[C@H](NC(=O)CN1CC[C@H](C)[C@H](C)C1)C(=O)[O-] ZINC000833477415 605212104 /nfs/dbraw/zinc/21/21/04/605212104.db2.gz IOLWDBVAZKEBES-XQQFMLRXSA-N -1 1 284.400 1.580 20 0 CDADMM C[C@@H]1[C@@H](C)N(C(=O)Cc2ccccc2C(=O)[O-])CCN1C ZINC000833583755 605267864 /nfs/dbraw/zinc/26/78/64/605267864.db2.gz KNJNVFGUFUZJNL-VXGBXAGGSA-N -1 1 290.363 1.478 20 0 CDADMM CCO[C@@H]1C[C@@H](NCc2ccc(C(=O)[O-])o2)[C@H]1OC ZINC000833662313 605749765 /nfs/dbraw/zinc/74/97/65/605749765.db2.gz ZUHKUKGWMLLQHR-YUSALJHKSA-N -1 1 269.297 1.260 20 0 CDADMM CC(C)[C@@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000820184206 606103252 /nfs/dbraw/zinc/10/32/52/606103252.db2.gz WWJWHFGAURTAAM-RXMQYKEDSA-N -1 1 288.764 1.405 20 0 CDADMM CC(C)[C@@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820184206 606103253 /nfs/dbraw/zinc/10/32/53/606103253.db2.gz WWJWHFGAURTAAM-RXMQYKEDSA-N -1 1 288.764 1.405 20 0 CDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)C=Cc2ccccc2)n1 ZINC000822604764 606155271 /nfs/dbraw/zinc/15/52/71/606155271.db2.gz JYLFHQWECCSTKC-FPLPWBNLSA-N -1 1 295.306 1.252 20 0 CDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)C=Cc2ccccc2)n1 ZINC000822604764 606155272 /nfs/dbraw/zinc/15/52/72/606155272.db2.gz JYLFHQWECCSTKC-FPLPWBNLSA-N -1 1 295.306 1.252 20 0 CDADMM O=C(OC[C@H]1CCCS1)c1ccc(-c2nnn[n-]2)s1 ZINC000823396998 606181155 /nfs/dbraw/zinc/18/11/55/606181155.db2.gz QIBMRQCDPSOUER-SSDOTTSWSA-N -1 1 296.377 1.981 20 0 CDADMM O=C(OC[C@H]1CCCS1)c1ccc(-c2nn[n-]n2)s1 ZINC000823396998 606181156 /nfs/dbraw/zinc/18/11/56/606181156.db2.gz QIBMRQCDPSOUER-SSDOTTSWSA-N -1 1 296.377 1.981 20 0 CDADMM COC[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821684827 606549796 /nfs/dbraw/zinc/54/97/96/606549796.db2.gz LSDJGCTXWJTWSR-MRVPVSSYSA-N -1 1 293.352 1.179 20 0 CDADMM COC[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821684827 606549797 /nfs/dbraw/zinc/54/97/97/606549797.db2.gz LSDJGCTXWJTWSR-MRVPVSSYSA-N -1 1 293.352 1.179 20 0 CDADMM CC(C)SCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820183927 606647903 /nfs/dbraw/zinc/64/79/03/606647903.db2.gz NDWOQRCDBQYLEK-UHFFFAOYSA-N -1 1 293.352 1.447 20 0 CDADMM CC(C)SCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820183927 606647904 /nfs/dbraw/zinc/64/79/04/606647904.db2.gz NDWOQRCDBQYLEK-UHFFFAOYSA-N -1 1 293.352 1.447 20 0 CDADMM CC[C@@H](O)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000820933260 606879819 /nfs/dbraw/zinc/87/98/19/606879819.db2.gz UFBLHQVMDMGUET-RXMQYKEDSA-N -1 1 288.764 1.550 20 0 CDADMM CC[C@@H](O)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000820933260 606879821 /nfs/dbraw/zinc/87/98/21/606879821.db2.gz UFBLHQVMDMGUET-RXMQYKEDSA-N -1 1 288.764 1.550 20 0 CDADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC000095222117 607896147 /nfs/dbraw/zinc/89/61/47/607896147.db2.gz WYTWFVCJUDKVGD-PSASIEDQSA-N -1 1 260.301 1.241 20 0 CDADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC000095222117 607896148 /nfs/dbraw/zinc/89/61/48/607896148.db2.gz WYTWFVCJUDKVGD-PSASIEDQSA-N -1 1 260.301 1.241 20 0 CDADMM COc1ccc(CN(C)c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826193080 607987721 /nfs/dbraw/zinc/98/77/21/607987721.db2.gz OYUUROGTLAIPLD-UHFFFAOYSA-N -1 1 297.322 1.302 20 0 CDADMM COc1ccc(CN(C)c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826193080 607987722 /nfs/dbraw/zinc/98/77/22/607987722.db2.gz OYUUROGTLAIPLD-UHFFFAOYSA-N -1 1 297.322 1.302 20 0 CDADMM O=C(C=C1CCC1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826398880 607999690 /nfs/dbraw/zinc/99/96/90/607999690.db2.gz IAJSTEALBAMGRX-UHFFFAOYSA-N -1 1 271.280 1.621 20 0 CDADMM c1cc(Sc2ccncc2)nc(-c2nnn[n-]2)c1 ZINC000826517468 608098174 /nfs/dbraw/zinc/09/81/74/608098174.db2.gz DENGEKFMHKXAJI-UHFFFAOYSA-N -1 1 256.294 1.808 20 0 CDADMM c1cc(Sc2ccncc2)nc(-c2nn[n-]n2)c1 ZINC000826517468 608098175 /nfs/dbraw/zinc/09/81/75/608098175.db2.gz DENGEKFMHKXAJI-UHFFFAOYSA-N -1 1 256.294 1.808 20 0 CDADMM CCC1(CO)CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000825171764 608151447 /nfs/dbraw/zinc/15/14/47/608151447.db2.gz VRKSHMUFBGTZNP-UHFFFAOYSA-N -1 1 288.355 1.251 20 0 CDADMM CCC1(CO)CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000825171764 608151448 /nfs/dbraw/zinc/15/14/48/608151448.db2.gz VRKSHMUFBGTZNP-UHFFFAOYSA-N -1 1 288.355 1.251 20 0 CDADMM CCn1cc(Nc2snc(Cl)c2-c2nnn[n-]2)cn1 ZINC000825799846 608177000 /nfs/dbraw/zinc/17/70/00/608177000.db2.gz TYCDJJNPIBDYSG-UHFFFAOYSA-N -1 1 296.747 1.937 20 0 CDADMM CCn1cc(Nc2snc(Cl)c2-c2nn[n-]n2)cn1 ZINC000825799846 608177001 /nfs/dbraw/zinc/17/70/01/608177001.db2.gz TYCDJJNPIBDYSG-UHFFFAOYSA-N -1 1 296.747 1.937 20 0 CDADMM Cn1ccc(COc2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826363476 608220703 /nfs/dbraw/zinc/22/07/03/608220703.db2.gz OAQZLQJDYNVEMX-UHFFFAOYSA-N -1 1 274.259 1.318 20 0 CDADMM Cn1ccc(COc2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826363476 608220706 /nfs/dbraw/zinc/22/07/06/608220706.db2.gz OAQZLQJDYNVEMX-UHFFFAOYSA-N -1 1 274.259 1.318 20 0 CDADMM CCc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)s1 ZINC000825711899 608398031 /nfs/dbraw/zinc/39/80/31/608398031.db2.gz IKHOKOPHSLZLIZ-UHFFFAOYSA-N -1 1 287.352 1.893 20 0 CDADMM CCc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)s1 ZINC000825711899 608398032 /nfs/dbraw/zinc/39/80/32/608398032.db2.gz IKHOKOPHSLZLIZ-UHFFFAOYSA-N -1 1 287.352 1.893 20 0 CDADMM c1ccc([C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC000826520796 608408217 /nfs/dbraw/zinc/40/82/17/608408217.db2.gz RFYLCBVSBFDDLP-LBPRGKRZSA-N -1 1 293.334 1.651 20 0 CDADMM c1ccc([C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC000826520796 608408221 /nfs/dbraw/zinc/40/82/21/608408221.db2.gz RFYLCBVSBFDDLP-LBPRGKRZSA-N -1 1 293.334 1.651 20 0 CDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccc(O)c1 ZINC000824655018 608410110 /nfs/dbraw/zinc/41/01/10/608410110.db2.gz ASYUDQYDWGOFHN-MRVPVSSYSA-N -1 1 283.295 1.535 20 0 CDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccc(O)c1 ZINC000824655018 608410111 /nfs/dbraw/zinc/41/01/11/608410111.db2.gz ASYUDQYDWGOFHN-MRVPVSSYSA-N -1 1 283.295 1.535 20 0 CDADMM COC1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826145762 608429196 /nfs/dbraw/zinc/42/91/96/608429196.db2.gz LSZURNMAVITQAO-UHFFFAOYSA-N -1 1 289.343 1.274 20 0 CDADMM COC1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826145762 608429197 /nfs/dbraw/zinc/42/91/97/608429197.db2.gz LSZURNMAVITQAO-UHFFFAOYSA-N -1 1 289.343 1.274 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCc1cccnc1 ZINC000826280873 608541706 /nfs/dbraw/zinc/54/17/06/608541706.db2.gz UHWGVDHOFWIUSN-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM CCOC(=O)CN(Cc1ccc(-c2nnn[n-]2)o1)C(C)C ZINC000825517746 608611367 /nfs/dbraw/zinc/61/13/67/608611367.db2.gz KUHMBNZNUQKSPN-UHFFFAOYSA-N -1 1 293.327 1.233 20 0 CDADMM CCOC(=O)CN(Cc1ccc(-c2nn[n-]n2)o1)C(C)C ZINC000825517746 608611369 /nfs/dbraw/zinc/61/13/69/608611369.db2.gz KUHMBNZNUQKSPN-UHFFFAOYSA-N -1 1 293.327 1.233 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccccc1O ZINC000826450798 608820874 /nfs/dbraw/zinc/82/08/74/608820874.db2.gz DQDVILSNTPYNIT-UHFFFAOYSA-N -1 1 297.274 1.530 20 0 CDADMM O=C(Cn1ccnc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000826424859 608890389 /nfs/dbraw/zinc/89/03/89/608890389.db2.gz GRZYOSAQHJCTIK-UHFFFAOYSA-N -1 1 290.233 1.224 20 0 CDADMM O=C(Cn1ccnc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000826424859 608890391 /nfs/dbraw/zinc/89/03/91/608890391.db2.gz GRZYOSAQHJCTIK-UHFFFAOYSA-N -1 1 290.233 1.224 20 0 CDADMM FC1=CCCN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000826370432 609201170 /nfs/dbraw/zinc/20/11/70/609201170.db2.gz SDCVIVWWKHOGOG-UHFFFAOYSA-N -1 1 265.317 1.987 20 0 CDADMM c1ccc(CC2CN(c3cccc(-c4nnn[n-]4)n3)C2)cc1 ZINC000826521006 609436666 /nfs/dbraw/zinc/43/66/66/609436666.db2.gz XJESVXMTZMIBKN-UHFFFAOYSA-N -1 1 292.346 1.941 20 0 CDADMM c1ccc(CC2CN(c3cccc(-c4nn[n-]n4)n3)C2)cc1 ZINC000826521006 609436668 /nfs/dbraw/zinc/43/66/68/609436668.db2.gz XJESVXMTZMIBKN-UHFFFAOYSA-N -1 1 292.346 1.941 20 0 CDADMM O=C(COC(=O)C1CCCC1)[N-]C(=O)c1ccccc1 ZINC000005507673 617362893 /nfs/dbraw/zinc/36/28/93/617362893.db2.gz MLJXERATRFOVRZ-UHFFFAOYSA-N -1 1 275.304 1.676 20 0 CDADMM COCc1nc(N2CCC([C@H]3CCOC3)CC2)cc(=O)[n-]1 ZINC000893132269 617401292 /nfs/dbraw/zinc/40/12/92/617401292.db2.gz MEPUTLBSGRUWQH-LBPRGKRZSA-N -1 1 293.367 1.582 20 0 CDADMM CC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2ncccc2[O-])C1 ZINC000945545935 613852809 /nfs/dbraw/zinc/85/28/09/613852809.db2.gz CPINRJKFSUXRMU-ZYHUDNBSSA-N -1 1 291.351 1.164 20 0 CDADMM COCc1nc(NC[C@]2(C)CCO[C@H]2C2CC2)cc(=O)[n-]1 ZINC000893215696 617469682 /nfs/dbraw/zinc/46/96/82/617469682.db2.gz KXQSLOLDEKFTEY-GJZGRUSLSA-N -1 1 293.367 1.946 20 0 CDADMM CC(C)C(=O)N1CC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000936658095 614388230 /nfs/dbraw/zinc/38/82/30/614388230.db2.gz HIMNMWASAAQNLV-NSHDSACASA-N -1 1 291.351 1.116 20 0 CDADMM COCc1nc(N2CCC[C@@H](C)CC2)cc(=O)[n-]1 ZINC000892100347 617481493 /nfs/dbraw/zinc/48/14/93/617481493.db2.gz DGWDRPLHLUFUIB-SNVBAGLBSA-N -1 1 251.330 1.955 20 0 CDADMM COCc1nc(N[C@H](C)Cc2c(C)noc2C)cc(=O)[n-]1 ZINC000892614954 617536516 /nfs/dbraw/zinc/53/65/16/617536516.db2.gz OVSUAAZUTKBOMI-MRVPVSSYSA-N -1 1 292.339 1.977 20 0 CDADMM CCOCC(=O)COC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000777040814 617713678 /nfs/dbraw/zinc/71/36/78/617713678.db2.gz GJLXTKRHYFSYIF-UHFFFAOYSA-N -1 1 278.264 1.432 20 0 CDADMM COCc1nc(N(C)Cc2ccoc2C)cc(=O)[n-]1 ZINC000891972825 617912916 /nfs/dbraw/zinc/91/29/16/617912916.db2.gz IEZIRMXFTGREAJ-UHFFFAOYSA-N -1 1 263.297 1.866 20 0 CDADMM C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)c1nn[n-]n1 ZINC000892954606 617975318 /nfs/dbraw/zinc/97/53/18/617975318.db2.gz NICOGPKCNXZUBA-MRVPVSSYSA-N -1 1 279.731 1.695 20 0 CDADMM CN(C(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)c1nn[n-]n1 ZINC000892954078 617975945 /nfs/dbraw/zinc/97/59/45/617975945.db2.gz CBGKAAFWNCCAII-RQJHMYQMSA-N -1 1 297.240 1.384 20 0 CDADMM CC[C@@H]1CN(c2cc(=O)[n-]c(COC)n2)C[C@H](C)O1 ZINC000892462840 618227320 /nfs/dbraw/zinc/22/73/20/618227320.db2.gz TWSUFBMIQKNCQI-VHSXEESVSA-N -1 1 267.329 1.332 20 0 CDADMM COCc1nc(NCC2(OC)CCCC2)cc(=O)[n-]1 ZINC000893999593 618241690 /nfs/dbraw/zinc/24/16/90/618241690.db2.gz HRPISOQZSWDCTH-UHFFFAOYSA-N -1 1 267.329 1.700 20 0 CDADMM C[C@@H]1C(=O)N(CN2CC[C@@H](C(=O)[O-])C2)[C@H]1c1ccccc1 ZINC000818085068 618498401 /nfs/dbraw/zinc/49/84/01/618498401.db2.gz LYGSSJWHHALGIA-IACUBPJLSA-N -1 1 288.347 1.570 20 0 CDADMM CC(C)COC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824266017 618561439 /nfs/dbraw/zinc/56/14/39/618561439.db2.gz BLCZMZIOOPRYBZ-UHFFFAOYSA-N -1 1 294.286 1.584 20 0 CDADMM CC(C)COC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824266017 618561450 /nfs/dbraw/zinc/56/14/50/618561450.db2.gz BLCZMZIOOPRYBZ-UHFFFAOYSA-N -1 1 294.286 1.584 20 0 CDADMM C[C@@H]1CCN(CC(=O)NCCC(=O)[O-])[C@H](c2ccco2)C1 ZINC000828285568 618618034 /nfs/dbraw/zinc/61/80/34/618618034.db2.gz NGQZTCDLGZRFTF-NEPJUHHUSA-N -1 1 294.351 1.644 20 0 CDADMM COCc1nc(NCCc2ccc(C)cn2)cc(=O)[n-]1 ZINC000894143176 618621889 /nfs/dbraw/zinc/62/18/89/618621889.db2.gz SSFPRQYLGGPOLX-UHFFFAOYSA-N -1 1 274.324 1.687 20 0 CDADMM CC[C@@H]1CN(c2cc(=O)[n-]c(COC)n2)C[C@H](CC)O1 ZINC000894243129 618747818 /nfs/dbraw/zinc/74/78/18/618747818.db2.gz CZGYEQJFERVAIY-PHIMTYICSA-N -1 1 281.356 1.722 20 0 CDADMM CCCCCC[C@](C)(NC(=O)CN(C)C)C(=O)[O-] ZINC000909428119 619252428 /nfs/dbraw/zinc/25/24/28/619252428.db2.gz ASGMSILZGZSNOD-ZDUSSCGKSA-N -1 1 258.362 1.478 20 0 CDADMM C[C@@]1(C(N)=O)CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000794359048 619320859 /nfs/dbraw/zinc/32/08/59/619320859.db2.gz NODVJJBOOGESQY-CYBMUJFWSA-N -1 1 282.727 1.383 20 0 CDADMM O=C([O-])c1cccc(CCNC(=O)CN2CCCC2)c1 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ZINC000154116471 632048069 /nfs/dbraw/zinc/04/80/69/632048069.db2.gz KBOPRLGLEHSREL-UHFFFAOYSA-N -1 1 274.276 1.657 20 0 CDADMM CCn1c(=O)c2ccccc2nc1-n1[n-]c(C)c(F)c1=O ZINC000917347860 632198805 /nfs/dbraw/zinc/19/88/05/632198805.db2.gz MZBMBRHCTGBQQU-NSHDSACASA-N -1 1 288.282 1.477 20 0 CDADMM CCC[C@@](C)(NC(=O)CN1CC[C@@H](C)C1)C(=O)[O-] ZINC000736953996 633219726 /nfs/dbraw/zinc/21/97/26/633219726.db2.gz GFAKDQNDVHLZIS-ZWNOBZJWSA-N -1 1 256.346 1.088 20 0 CDADMM O=c1[n-]c2nc(=O)[nH]c(Nc3ccc4c(c3)CCO4)c2[nH]1 ZINC001170218675 1162303307 /nfs/dbraw/zinc/30/33/07/1162303307.db2.gz ZFTAPZZXFKCMCJ-UHFFFAOYSA-N -1 1 285.263 1.394 20 0 CDADMM Cc1cncc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)c1 ZINC001170216834 1162303599 /nfs/dbraw/zinc/30/35/99/1162303599.db2.gz PNJGDCUGDZBLHI-UHFFFAOYSA-N -1 1 258.241 1.163 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2cc(OC(F)F)ccn2)[n-]1 ZINC001170230816 1162307646 /nfs/dbraw/zinc/30/76/46/1162307646.db2.gz YICJCDUMDXCALH-UHFFFAOYSA-N -1 1 294.221 1.799 20 0 CDADMM O=c1cc(Nc2[n-]c(=O)nc3nc[nH]c32)ccn1C1CCC1 ZINC001170229629 1162318484 /nfs/dbraw/zinc/31/84/84/1162318484.db2.gz UTLGGOUBRRVAMM-UHFFFAOYSA-N -1 1 298.306 1.689 20 0 CDADMM NC(=O)CCc1cccc(Nc2[n-]c(=O)nc3nc[nH]c32)c1 ZINC001170229722 1162319331 /nfs/dbraw/zinc/31/93/31/1162319331.db2.gz YWAKKTJEEIEISQ-UHFFFAOYSA-N -1 1 298.306 1.220 20 0 CDADMM C[C@@H]1CSC[C@H]1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000804502121 1162481421 /nfs/dbraw/zinc/48/14/21/1162481421.db2.gz LPWGUDPZSDAJSM-VXNVDRBHSA-N -1 1 294.405 1.499 20 0 CDADMM Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cn[n-]n1 ZINC000805605035 1162586661 /nfs/dbraw/zinc/58/66/61/1162586661.db2.gz HVARMQOWUQUCGF-UHFFFAOYSA-N -1 1 294.698 1.562 20 0 CDADMM C[C@@H](OC(=O)c1cn[n-]n1)C(=O)NC1CCC(C)CC1 ZINC000805607984 1162598511 /nfs/dbraw/zinc/59/85/11/1162598511.db2.gz VPLOPSBEXPGHCU-HWOCKDDLSA-N -1 1 280.328 1.045 20 0 CDADMM Cn1[n-]cc2c(=NC(=O)N3CC(C)(C)C3)ccnc1-2 ZINC000806484942 1162684346 /nfs/dbraw/zinc/68/43/46/1162684346.db2.gz QTTSCGPYWXVHGG-UHFFFAOYSA-N -1 1 259.313 1.216 20 0 CDADMM CN(C(=O)c1cc(-c2ccccc2)ccn1)c1nn[n-]n1 ZINC001130972246 1162760168 /nfs/dbraw/zinc/76/01/68/1162760168.db2.gz SFXIKPVRYVJHRP-UHFFFAOYSA-N -1 1 280.291 1.538 20 0 CDADMM O=S(=O)([N-]Cc1cnc[nH]1)c1c(F)cc(F)cc1F ZINC000088759636 1158736007 /nfs/dbraw/zinc/73/60/07/1158736007.db2.gz BFHDJWFPIXUZGN-UHFFFAOYSA-N -1 1 291.254 1.306 20 0 CDADMM CCC/C(C)=C\C(=O)Nc1nn(C)c(C)c1-c1nn[nH]n1 ZINC001604134603 1163102341 /nfs/dbraw/zinc/10/23/41/1163102341.db2.gz BEMHTQWWTOKUCO-FPLPWBNLSA-N -1 1 289.343 1.594 20 0 CDADMM CCC[C@H](C)[C@@H](CO)Nc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001604134781 1163102522 /nfs/dbraw/zinc/10/25/22/1163102522.db2.gz LMMZITUNISBTFM-GXSJLCMTSA-N -1 1 290.371 1.779 20 0 CDADMM CCC[C@H](C)[C@@H](CO)Nc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001604134781 1163102526 /nfs/dbraw/zinc/10/25/26/1163102526.db2.gz LMMZITUNISBTFM-GXSJLCMTSA-N -1 1 290.371 1.779 20 0 CDADMM COc1ccccc1OC[C@@H](C)OCC[P@](=O)([O-])O ZINC001224601634 1160779172 /nfs/dbraw/zinc/77/91/72/1160779172.db2.gz IUEQSRKRQWZIED-SNVBAGLBSA-N -1 1 290.252 1.657 20 0 CDADMM C[C@@](O)(CN1CCc2ccc(C(=O)[O-])cc2C1)C(F)F ZINC001604373505 1163167655 /nfs/dbraw/zinc/16/76/55/1163167655.db2.gz IWUSOGIPIHFVAI-CQSZACIVSA-N -1 1 285.290 1.759 20 0 CDADMM CCOC1CC2(C[C@H]2Nc2cccnc2-c2nnn[n-]2)C1 ZINC001604412775 1163180581 /nfs/dbraw/zinc/18/05/81/1163180581.db2.gz YJNFEILNEGHASO-GOSTWBGLSA-N -1 1 286.339 1.631 20 0 CDADMM CCOC1CC2(C[C@H]2Nc2cccnc2-c2nn[n-]n2)C1 ZINC001604412775 1163180587 /nfs/dbraw/zinc/18/05/87/1163180587.db2.gz YJNFEILNEGHASO-GOSTWBGLSA-N -1 1 286.339 1.631 20 0 CDADMM CC1(C)[C@@H](O)CCN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001604507964 1163211751 /nfs/dbraw/zinc/21/17/51/1163211751.db2.gz AFLDTZDDYJADLO-LBPRGKRZSA-N -1 1 289.335 1.606 20 0 CDADMM CC[C@H](C)[C@@H](NC(=O)CN1CC2CC1(C)C2)C(=O)[O-] ZINC001604928373 1163385190 /nfs/dbraw/zinc/38/51/90/1163385190.db2.gz AAVBMDNDXQCNAK-LWACRWBVSA-N -1 1 268.357 1.086 20 0 CDADMM CO[C@@]1(C)C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1(C)C ZINC001605015453 1163418260 /nfs/dbraw/zinc/41/82/60/1163418260.db2.gz MHDQNYZVXNRGBX-RNCFNFMXSA-N -1 1 289.343 1.272 20 0 CDADMM CO[C@@]1(C)C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1(C)C ZINC001605015453 1163418265 /nfs/dbraw/zinc/41/82/65/1163418265.db2.gz MHDQNYZVXNRGBX-RNCFNFMXSA-N -1 1 289.343 1.272 20 0 CDADMM CO[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)[C@H](C)C1 ZINC001605030290 1163425567 /nfs/dbraw/zinc/42/55/67/1163425567.db2.gz JXRGJTQGLFVHAR-BDAKNGLRSA-N -1 1 291.311 1.099 20 0 CDADMM CO[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)[C@H](C)C1 ZINC001605030290 1163425573 /nfs/dbraw/zinc/42/55/73/1163425573.db2.gz JXRGJTQGLFVHAR-BDAKNGLRSA-N -1 1 291.311 1.099 20 0 CDADMM COCC1CCC(Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001605073329 1163441017 /nfs/dbraw/zinc/44/10/17/1163441017.db2.gz YVBWTXLCNUUGNP-UHFFFAOYSA-N -1 1 288.355 1.879 20 0 CDADMM COCC1CCC(Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001605073329 1163441019 /nfs/dbraw/zinc/44/10/19/1163441019.db2.gz YVBWTXLCNUUGNP-UHFFFAOYSA-N -1 1 288.355 1.879 20 0 CDADMM CO[C@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001605152500 1163469765 /nfs/dbraw/zinc/46/97/65/1163469765.db2.gz KYPWSINAFDGEDV-RXMQYKEDSA-N -1 1 254.319 1.078 20 0 CDADMM CCCCC[C@@H](NC(=O)CCc1cc(C)[nH]n1)C(=O)[O-] ZINC001605258281 1163504304 /nfs/dbraw/zinc/50/43/04/1163504304.db2.gz KJPPBKFDADNZJF-GFCCVEGCSA-N -1 1 281.356 1.800 20 0 CDADMM COc1ccc(COc2cnc(-c3nn[n-]n3)nc2)cc1 ZINC001605287954 1163516337 /nfs/dbraw/zinc/51/63/37/1163516337.db2.gz HOJFLHWXISYUKU-UHFFFAOYSA-N -1 1 284.279 1.244 20 0 CDADMM COc1ccccc1OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001605335301 1163529465 /nfs/dbraw/zinc/52/94/65/1163529465.db2.gz RCWZIRLLSWKHKK-UHFFFAOYSA-N -1 1 297.274 1.490 20 0 CDADMM COc1ccccc1OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001605335301 1163529473 /nfs/dbraw/zinc/52/94/73/1163529473.db2.gz RCWZIRLLSWKHKK-UHFFFAOYSA-N -1 1 297.274 1.490 20 0 CDADMM CCN1CCCC[C@H]1C(=O)NCc1ccnc(C(=O)[O-])c1 ZINC001605477048 1163580484 /nfs/dbraw/zinc/58/04/84/1163580484.db2.gz JIZQBMXYUMSGMS-ZDUSSCGKSA-N -1 1 291.351 1.270 20 0 CDADMM CCN1CCCC[C@@H]1C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001605477206 1163581956 /nfs/dbraw/zinc/58/19/56/1163581956.db2.gz KAGKEMJJXHIHCK-CHWSQXEVSA-N -1 1 282.384 1.478 20 0 CDADMM CCOC(=O)[C@H](CC)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001605509962 1163591587 /nfs/dbraw/zinc/59/15/87/1163591587.db2.gz UHGUYGDNRANPSH-UWVGGRQHSA-N -1 1 275.370 1.078 20 0 CDADMM CCOC(=O)C1(CN[C@@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC001605520899 1163594769 /nfs/dbraw/zinc/59/47/69/1163594769.db2.gz VCBJTFFPDUNIHV-QMMMGPOBSA-N -1 1 298.364 1.835 20 0 CDADMM Cc1cc(N[C@H](C)C2CCOCC2)nc(-c2nnn[n-]2)c1 ZINC001605720019 1163650116 /nfs/dbraw/zinc/65/01/16/1163650116.db2.gz OKWXKQMLHQYCNC-SNVBAGLBSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(N[C@H](C)C2CCOCC2)nc(-c2nn[n-]n2)c1 ZINC001605720019 1163650121 /nfs/dbraw/zinc/65/01/21/1163650121.db2.gz OKWXKQMLHQYCNC-SNVBAGLBSA-N -1 1 288.355 1.797 20 0 CDADMM CCc1ccc(CN(C)[C@@H](C)C(=O)NCC(=O)[O-])cc1 ZINC001605812606 1163678573 /nfs/dbraw/zinc/67/85/73/1163678573.db2.gz KFIYQWXVXZADJU-NSHDSACASA-N -1 1 278.352 1.270 20 0 CDADMM Cc1ccc(N2CCC[C@H](CO)CC2)nc1-c1nnn[n-]1 ZINC001605864820 1163696044 /nfs/dbraw/zinc/69/60/44/1163696044.db2.gz OETAOCMOBBTVIH-NSHDSACASA-N -1 1 288.355 1.169 20 0 CDADMM Cc1ccc(N2CCC[C@H](CO)CC2)nc1-c1nn[n-]n1 ZINC001605864820 1163696049 /nfs/dbraw/zinc/69/60/49/1163696049.db2.gz OETAOCMOBBTVIH-NSHDSACASA-N -1 1 288.355 1.169 20 0 CDADMM CCc1nnc([C@@H](C)N[C@H]2CCC[C@H]2C(=O)[O-])o1 ZINC001605868522 1163697985 /nfs/dbraw/zinc/69/79/85/1163697985.db2.gz UEOVYSYLUCWLCB-HLTSFMKQSA-N -1 1 253.302 1.536 20 0 CDADMM Cc1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)nc1 ZINC001605871504 1163699503 /nfs/dbraw/zinc/69/95/03/1163699503.db2.gz FDWWUNSFUPUJQO-UHFFFAOYSA-N -1 1 270.252 1.415 20 0 CDADMM Cc1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)nc1 ZINC001605871504 1163699506 /nfs/dbraw/zinc/69/95/06/1163699506.db2.gz FDWWUNSFUPUJQO-UHFFFAOYSA-N -1 1 270.252 1.415 20 0 CDADMM Cc1ccc2ncc(CNc3n[nH]cc3-c3nn[n-]n3)n2c1 ZINC001605894776 1163710017 /nfs/dbraw/zinc/71/00/17/1163710017.db2.gz QHELSGUEVUOOSW-UHFFFAOYSA-N -1 1 295.310 1.158 20 0 CDADMM Cc1ccccc1[C@H](C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001605936137 1163718794 /nfs/dbraw/zinc/71/87/94/1163718794.db2.gz GPUAZCSLYBFVSX-VIFPVBQESA-N -1 1 297.322 1.398 20 0 CDADMM Cc1ccccc1C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001605933480 1163719420 /nfs/dbraw/zinc/71/94/20/1163719420.db2.gz ROCUHRQEZAAAJZ-UHFFFAOYSA-N -1 1 295.302 1.927 20 0 CDADMM Cc1ccccc1C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001605933480 1163719431 /nfs/dbraw/zinc/71/94/31/1163719431.db2.gz ROCUHRQEZAAAJZ-UHFFFAOYSA-N -1 1 295.302 1.927 20 0 CDADMM CN(C)C1(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC001606011640 1163741172 /nfs/dbraw/zinc/74/11/72/1163741172.db2.gz TWFFXZCGVUHHNP-GFCCVEGCSA-N -1 1 294.326 1.204 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(Cc2ccc3nonc3c2)c1C ZINC001606020736 1163748615 /nfs/dbraw/zinc/74/86/15/1163748615.db2.gz AKIJXLVENPAJPX-UHFFFAOYSA-N -1 1 296.294 1.265 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2ccc3nonc3c2)c1C ZINC001606020736 1163748617 /nfs/dbraw/zinc/74/86/17/1163748617.db2.gz AKIJXLVENPAJPX-UHFFFAOYSA-N -1 1 296.294 1.265 20 0 CDADMM Cc1nc(-c2nn[nH]n2)c(-n2[n-]c(C3(C)CC3)cc2=O)o1 ZINC001606020511 1163748819 /nfs/dbraw/zinc/74/88/19/1163748819.db2.gz ZIQGNQWYVZXRID-UHFFFAOYSA-N -1 1 287.283 1.056 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCCC(F)(F)CC2)n1 ZINC001606020766 1163748911 /nfs/dbraw/zinc/74/89/11/1163748911.db2.gz BNMCRYWGJPAFGD-UHFFFAOYSA-N -1 1 295.297 1.591 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCCC(F)(F)CC2)n1 ZINC001606020766 1163748915 /nfs/dbraw/zinc/74/89/15/1163748915.db2.gz BNMCRYWGJPAFGD-UHFFFAOYSA-N -1 1 295.297 1.591 20 0 CDADMM Cc1nc(NC(=O)c2ccc(-c3nn[n-]n3)o2)oc1C ZINC001606061178 1163758101 /nfs/dbraw/zinc/75/81/01/1163758101.db2.gz XXRCNQYSBVZESR-UHFFFAOYSA-N -1 1 274.240 1.317 20 0 CDADMM Cc1nc(N[C@@H](C)CC(C)C)cc(-c2nnn[n-]2)n1 ZINC001606059029 1163759982 /nfs/dbraw/zinc/75/99/82/1163759982.db2.gz CEZOEFPGSJPHRU-QMMMGPOBSA-N -1 1 261.333 1.812 20 0 CDADMM Cc1nc(N[C@@H](C)CC(C)C)cc(-c2nn[n-]n2)n1 ZINC001606059029 1163759988 /nfs/dbraw/zinc/75/99/88/1163759988.db2.gz CEZOEFPGSJPHRU-QMMMGPOBSA-N -1 1 261.333 1.812 20 0 CDADMM CN(Cc1[nH]cc(C(=O)[O-])c1C1CC1)CC(C)(CO)CO ZINC001606143821 1163787384 /nfs/dbraw/zinc/78/73/84/1163787384.db2.gz VOKMCRSSUYGLIP-UHFFFAOYSA-N -1 1 296.367 1.013 20 0 CDADMM CN(Cc1cn(C2(C(=O)[O-])CC2)nn1)C(C)(C)C ZINC001606172393 1163797747 /nfs/dbraw/zinc/79/77/47/1163797747.db2.gz GJIDGKQYYXEYPW-UHFFFAOYSA-N -1 1 252.318 1.082 20 0 CDADMM FC(F)(F)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001606288952 1163838006 /nfs/dbraw/zinc/83/80/06/1163838006.db2.gz RMDSIOXTANCWPE-UHFFFAOYSA-N -1 1 284.654 1.951 20 0 CDADMM FC(F)(F)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001606288952 1163838010 /nfs/dbraw/zinc/83/80/10/1163838010.db2.gz RMDSIOXTANCWPE-UHFFFAOYSA-N -1 1 284.654 1.951 20 0 CDADMM COC1CCN(Cc2cc(C(=O)[O-])c(C)[nH]2)CC1 ZINC001606757965 1163985231 /nfs/dbraw/zinc/98/52/31/1163985231.db2.gz XTIBHBBQUJOABB-UHFFFAOYSA-N -1 1 252.314 1.632 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@H]1C[C@@H]1C1CC1 ZINC001606830534 1164006603 /nfs/dbraw/zinc/00/66/03/1164006603.db2.gz GDLNKTFYAPLKBL-ZJUUUORDSA-N -1 1 289.364 1.591 20 0 CDADMM O=C(Nc1ccccc1O)c1cccc(-c2nnn[n-]2)n1 ZINC001606940228 1164035474 /nfs/dbraw/zinc/03/54/74/1164035474.db2.gz MBOUQRMTJCSREO-UHFFFAOYSA-N -1 1 282.263 1.220 20 0 CDADMM O=C(Nc1ccccc1O)c1cccc(-c2nn[n-]n2)n1 ZINC001606940228 1164035478 /nfs/dbraw/zinc/03/54/78/1164035478.db2.gz MBOUQRMTJCSREO-UHFFFAOYSA-N -1 1 282.263 1.220 20 0 CDADMM O=C(OC(C1CC1)C1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001606962894 1164038121 /nfs/dbraw/zinc/03/81/21/1164038121.db2.gz NXHSQUNPEKMJER-UHFFFAOYSA-N -1 1 285.307 1.607 20 0 CDADMM O=C(OC(C1CC1)C1CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001606962894 1164038129 /nfs/dbraw/zinc/03/81/29/1164038129.db2.gz NXHSQUNPEKMJER-UHFFFAOYSA-N -1 1 285.307 1.607 20 0 CDADMM O=C(OC1CCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606962869 1164038559 /nfs/dbraw/zinc/03/85/59/1164038559.db2.gz MYSUMFPVFPTXGB-UHFFFAOYSA-N -1 1 262.244 1.715 20 0 CDADMM O=C(OC1CCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606962869 1164038566 /nfs/dbraw/zinc/03/85/66/1164038566.db2.gz MYSUMFPVFPTXGB-UHFFFAOYSA-N -1 1 262.244 1.715 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC2(CCC2)[C@H]1C1CC1 ZINC001607016947 1164060782 /nfs/dbraw/zinc/06/07/82/1164060782.db2.gz IOFBPSCHRVTMCX-GFCCVEGCSA-N -1 1 299.334 1.864 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC2(CCC2)[C@H]1C1CC1 ZINC001607016947 1164060787 /nfs/dbraw/zinc/06/07/87/1164060787.db2.gz IOFBPSCHRVTMCX-GFCCVEGCSA-N -1 1 299.334 1.864 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CC[C@@H](c3cnccn3)C2)c1 ZINC001607116513 1164096522 /nfs/dbraw/zinc/09/65/22/1164096522.db2.gz NMUCJHDKEDDIIR-SNVBAGLBSA-N -1 1 294.322 1.046 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CC[C@@H](c3cnccn3)C2)c1 ZINC001607116513 1164096526 /nfs/dbraw/zinc/09/65/26/1164096526.db2.gz NMUCJHDKEDDIIR-SNVBAGLBSA-N -1 1 294.322 1.046 20 0 CDADMM c1cc(NC[C@@H]2CCCCS2)cc(-c2nnn[n-]2)n1 ZINC001607120921 1164103356 /nfs/dbraw/zinc/10/33/56/1164103356.db2.gz JCGNSFURJMOBMA-JTQLQIEISA-N -1 1 276.369 1.381 20 0 CDADMM c1cc(NC[C@@H]2CCCCS2)cc(-c2nn[n-]n2)n1 ZINC001607120921 1164103357 /nfs/dbraw/zinc/10/33/57/1164103357.db2.gz JCGNSFURJMOBMA-JTQLQIEISA-N -1 1 276.369 1.381 20 0 CDADMM c1nc(NCC2CCSCC2)cc(-c2nnn[n-]2)n1 ZINC001607137142 1164116447 /nfs/dbraw/zinc/11/64/47/1164116447.db2.gz JJWRSAXGVSLMNF-UHFFFAOYSA-N -1 1 277.357 1.212 20 0 CDADMM c1nc(NCC2CCSCC2)cc(-c2nn[n-]n2)n1 ZINC001607137142 1164116449 /nfs/dbraw/zinc/11/64/49/1164116449.db2.gz JJWRSAXGVSLMNF-UHFFFAOYSA-N -1 1 277.357 1.212 20 0 CDADMM CC1N=NC(C(=O)Nc2nn(C)c3ccccc23)=C1[O-] ZINC001607240679 1164135522 /nfs/dbraw/zinc/13/55/22/1164135522.db2.gz PBNMALUZPHFUHC-UHFFFAOYSA-N -1 1 271.280 1.563 20 0 CDADMM Cc1nc(CN[C@]2(CC(=O)[O-])CCOC2)sc1C ZINC001607955713 1164352198 /nfs/dbraw/zinc/35/21/98/1164352198.db2.gz QQKKIABBLVQXCX-LBPRGKRZSA-N -1 1 270.354 1.483 20 0 CDADMM Cc1nc(CN2CCN(CCC(=O)[O-])C[C@H]2C)oc1C ZINC001607956236 1164353256 /nfs/dbraw/zinc/35/32/56/1164353256.db2.gz RPJYNOABOSOYJR-SNVBAGLBSA-N -1 1 281.356 1.272 20 0 CDADMM Cc1nn(C(C)C)cc1CN1CCC([C@H](O)C(=O)[O-])CC1 ZINC001607999195 1164369911 /nfs/dbraw/zinc/36/99/11/1164369911.db2.gz IWFHODXIJNSSMT-AWEZNQCLSA-N -1 1 295.383 1.430 20 0 CDADMM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1n[nH]c2ccc(Cl)cc21 ZINC001608492483 1164525992 /nfs/dbraw/zinc/52/59/92/1164525992.db2.gz HNXOQYZRFPARPB-FKQCQYRASA-N -1 1 293.710 1.809 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2ccccc2-c2nnc[nH]2)c[nH]1 ZINC001608520518 1164531998 /nfs/dbraw/zinc/53/19/98/1164531998.db2.gz LMMMLGMOFPEOMM-UHFFFAOYSA-N -1 1 297.274 1.750 20 0 CDADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCC2CC2)C1 ZINC000864428629 1164541144 /nfs/dbraw/zinc/54/11/44/1164541144.db2.gz HIHAVJMEYVCENT-NSHDSACASA-N -1 1 293.289 1.249 20 0 CDADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1ccoc1)C[C@@H]2C(=O)[O-] ZINC001608611384 1164571867 /nfs/dbraw/zinc/57/18/67/1164571867.db2.gz QVVZQKYPVYFOFM-IQLKVPPVSA-N -1 1 279.292 1.277 20 0 CDADMM O=C([O-])[C@@H]1CCN(Cc2cnon2)[C@H]2CCCC[C@H]12 ZINC001608635301 1164584447 /nfs/dbraw/zinc/58/44/47/1164584447.db2.gz PCOFSABRLOUPTQ-UTUOFQBUSA-N -1 1 265.313 1.535 20 0 CDADMM O=C([O-])c1cc(CN2CCC[C@@](O)(C3CC3)C2)on1 ZINC001608841782 1164659030 /nfs/dbraw/zinc/65/90/30/1164659030.db2.gz IIQRBXKZKOANEY-ZDUSSCGKSA-N -1 1 266.297 1.110 20 0 CDADMM O=C([O-])c1ccc(CN[C@@H]2COc3ccccc3[C@H]2O)o1 ZINC001608886063 1164675815 /nfs/dbraw/zinc/67/58/15/1164675815.db2.gz HESUBZQOWRUQDS-BXUZGUMPSA-N -1 1 289.287 1.562 20 0 CDADMM O=C([O-])c1ccnc(C(=O)NCc2ccc3cncn3c2)c1 ZINC001608951685 1164692348 /nfs/dbraw/zinc/69/23/48/1164692348.db2.gz IYCPPEBNYYYNGG-UHFFFAOYSA-N -1 1 296.286 1.358 20 0 CDADMM CC(C)[C@]1(C)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001609089955 1164764683 /nfs/dbraw/zinc/76/46/83/1164764683.db2.gz JMIAUDQERUCPEI-PELKAZGASA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)[C@]1(C)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001609089955 1164764691 /nfs/dbraw/zinc/76/46/91/1164764691.db2.gz JMIAUDQERUCPEI-PELKAZGASA-N -1 1 259.317 1.503 20 0 CDADMM C[C@@H](O)CCCOC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001609129145 1164785083 /nfs/dbraw/zinc/78/50/83/1164785083.db2.gz LGLGYXWIALYOFA-SSDOTTSWSA-N -1 1 282.325 1.246 20 0 CDADMM C[C@@H](O)CCCOC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609129145 1164785087 /nfs/dbraw/zinc/78/50/87/1164785087.db2.gz LGLGYXWIALYOFA-SSDOTTSWSA-N -1 1 282.325 1.246 20 0 CDADMM C[C@@]12CCN(c3ncncc3-c3nn[n-]n3)C[C@@H]1C2(F)F ZINC001609151183 1164798747 /nfs/dbraw/zinc/79/87/47/1164798747.db2.gz GKFYWAJOFCUOJI-GZMMTYOYSA-N -1 1 293.281 1.138 20 0 CDADMM C[C@@H]1C[C@@H](C)N1S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609157246 1164802365 /nfs/dbraw/zinc/80/23/65/1164802365.db2.gz QGENJJDSFNFQRH-RNFRBKRXSA-N -1 1 299.381 1.100 20 0 CDADMM C[C@@H]1C[C@@H](C)N1S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609157246 1164802369 /nfs/dbraw/zinc/80/23/69/1164802369.db2.gz QGENJJDSFNFQRH-RNFRBKRXSA-N -1 1 299.381 1.100 20 0 CDADMM C[C@@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)CS1 ZINC001609157916 1164805376 /nfs/dbraw/zinc/80/53/76/1164805376.db2.gz REDOYJZSFUVVDZ-RQJHMYQMSA-N -1 1 279.325 1.084 20 0 CDADMM C[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)CS1 ZINC001609157916 1164805381 /nfs/dbraw/zinc/80/53/81/1164805381.db2.gz REDOYJZSFUVVDZ-RQJHMYQMSA-N -1 1 279.325 1.084 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)[C@H](C)[C@@H](C)O1 ZINC001609171566 1164812306 /nfs/dbraw/zinc/81/23/06/1164812306.db2.gz IGVUSGKPWWHHCK-IWSPIJDZSA-N -1 1 291.311 1.098 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)[C@H](C)[C@@H](C)O1 ZINC001609171566 1164812308 /nfs/dbraw/zinc/81/23/08/1164812308.db2.gz IGVUSGKPWWHHCK-IWSPIJDZSA-N -1 1 291.311 1.098 20 0 CDADMM C[C@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001609168829 1164812467 /nfs/dbraw/zinc/81/24/67/1164812467.db2.gz OTTOFMQBUPUBNZ-VHSXEESVSA-N -1 1 258.329 1.744 20 0 CDADMM C[C@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001609168829 1164812475 /nfs/dbraw/zinc/81/24/75/1164812475.db2.gz OTTOFMQBUPUBNZ-VHSXEESVSA-N -1 1 258.329 1.744 20 0 CDADMM C[C@H]1CN=C(NC(=O)c2ccc(-c3nnn[n-]3)s2)S1 ZINC001609176990 1164816432 /nfs/dbraw/zinc/81/64/32/1164816432.db2.gz KQGYNBCOIPCOFL-YFKPBYRVSA-N -1 1 294.365 1.149 20 0 CDADMM C[C@H]1CN=C(NC(=O)c2ccc(-c3nn[n-]n3)s2)S1 ZINC001609176990 1164816437 /nfs/dbraw/zinc/81/64/37/1164816437.db2.gz KQGYNBCOIPCOFL-YFKPBYRVSA-N -1 1 294.365 1.149 20 0 CDADMM C[C@@H]1c2ccsc2CCN1c1ncncc1-c1nn[n-]n1 ZINC001609180752 1164818711 /nfs/dbraw/zinc/81/87/11/1164818711.db2.gz RKDMMOUESPOEHY-MRVPVSSYSA-N -1 1 299.363 1.842 20 0 CDADMM CC[C@@H](C)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609187154 1164831098 /nfs/dbraw/zinc/83/10/98/1164831098.db2.gz WBJXMBJQFSKHIT-ZCFIWIBFSA-N -1 1 251.315 1.457 20 0 CDADMM CCN(CC(F)F)C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609222342 1164850798 /nfs/dbraw/zinc/85/07/98/1164850798.db2.gz YUOIMRCIXGZWBW-UHFFFAOYSA-N -1 1 299.256 1.733 20 0 CDADMM CCN(CC(F)F)C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609222342 1164850800 /nfs/dbraw/zinc/85/08/00/1164850800.db2.gz YUOIMRCIXGZWBW-UHFFFAOYSA-N -1 1 299.256 1.733 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCC(F)(F)C2)n1 ZINC001609392690 1164926747 /nfs/dbraw/zinc/92/67/47/1164926747.db2.gz ZYOJFBHXAPKWLJ-SSDOTTSWSA-N -1 1 281.270 1.565 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCC(F)(F)C2)n1 ZINC001609392690 1164926749 /nfs/dbraw/zinc/92/67/49/1164926749.db2.gz ZYOJFBHXAPKWLJ-SSDOTTSWSA-N -1 1 281.270 1.565 20 0 CDADMM Cc1cc(N2C[C@@H]3C[C@H]2CS3)cc(-c2nnn[n-]2)n1 ZINC001609405660 1164931057 /nfs/dbraw/zinc/93/10/57/1164931057.db2.gz SVTKLQQUKXZFMH-UWVGGRQHSA-N -1 1 274.353 1.264 20 0 CDADMM Cc1cc(N2C[C@@H]3C[C@H]2CS3)cc(-c2nn[n-]n2)n1 ZINC001609405660 1164931064 /nfs/dbraw/zinc/93/10/64/1164931064.db2.gz SVTKLQQUKXZFMH-UWVGGRQHSA-N -1 1 274.353 1.264 20 0 CDADMM Cc1cc(F)ccc1CCNc1cc(-c2nnn[n-]2)ncn1 ZINC001609403640 1164931944 /nfs/dbraw/zinc/93/19/44/1164931944.db2.gz QQMDNNYDQFARGV-UHFFFAOYSA-N -1 1 299.313 1.759 20 0 CDADMM Cc1cc(F)ccc1CCNc1cc(-c2nn[n-]n2)ncn1 ZINC001609403640 1164931951 /nfs/dbraw/zinc/93/19/51/1164931951.db2.gz QQMDNNYDQFARGV-UHFFFAOYSA-N -1 1 299.313 1.759 20 0 CDADMM Cc1ccc(C)c(OCCCn2cnc(-c3nn[n-]n3)n2)c1 ZINC001609421596 1164940900 /nfs/dbraw/zinc/94/09/00/1164940900.db2.gz NJWZHWMSNQJUGI-UHFFFAOYSA-N -1 1 299.338 1.544 20 0 CDADMM Cc1ccn(CC2CC(F)(F)C2)c(=O)c1-c1nn[n-]n1 ZINC001609437581 1164945934 /nfs/dbraw/zinc/94/59/34/1164945934.db2.gz MROUIWUZXXLECJ-UHFFFAOYSA-N -1 1 281.266 1.382 20 0 CDADMM Fc1ccccc1CNCc1nc(-c2nnn[n-]2)cs1 ZINC001609492642 1164974991 /nfs/dbraw/zinc/97/49/91/1164974991.db2.gz QVXWMPSKWOHOJL-UHFFFAOYSA-N -1 1 290.327 1.752 20 0 CDADMM Fc1ccccc1CNCc1nc(-c2nn[n-]n2)cs1 ZINC001609492642 1164975000 /nfs/dbraw/zinc/97/50/00/1164975000.db2.gz QVXWMPSKWOHOJL-UHFFFAOYSA-N -1 1 290.327 1.752 20 0 CDADMM C/C(=C\COC(=O)c1[nH]nc2c1CCCCC2)C(=O)[O-] ZINC001609542909 1164984486 /nfs/dbraw/zinc/98/44/86/1164984486.db2.gz FXWOPPSUKFPXLV-VQHVLOKHSA-N -1 1 278.308 1.866 20 0 CDADMM O=C(NCCc1ccccc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609550935 1164987112 /nfs/dbraw/zinc/98/71/12/1164987112.db2.gz IEGPCDJYQRPXMY-UHFFFAOYSA-N -1 1 294.318 1.234 20 0 CDADMM O=C(NCCc1ccccc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609550935 1164987117 /nfs/dbraw/zinc/98/71/17/1164987117.db2.gz IEGPCDJYQRPXMY-UHFFFAOYSA-N -1 1 294.318 1.234 20 0 CDADMM c1cc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)nc(-c2nnn[n-]2)c1 ZINC001609614782 1165008810 /nfs/dbraw/zinc/00/88/10/1165008810.db2.gz MKONJWSJWHGWNE-OPRDCNLKSA-N -1 1 256.313 1.862 20 0 CDADMM c1cc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)nc(-c2nn[n-]n2)c1 ZINC001609614782 1165008813 /nfs/dbraw/zinc/00/88/13/1165008813.db2.gz MKONJWSJWHGWNE-OPRDCNLKSA-N -1 1 256.313 1.862 20 0 CDADMM C[C@@H](NCc1cncn1C)c1ccc(OCC(=O)[O-])cc1 ZINC001609779046 1165077129 /nfs/dbraw/zinc/07/71/29/1165077129.db2.gz AKUSUDQVLKACJT-LLVKDONJSA-N -1 1 289.335 1.734 20 0 CDADMM CN(CCCCO)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001610115598 1165221758 /nfs/dbraw/zinc/22/17/58/1165221758.db2.gz IUWKKJQNCTUINA-UHFFFAOYSA-N -1 1 280.324 1.028 20 0 CDADMM Cc1coc(CC(=O)[O-])c1C(=O)NCCN1CCCCC1 ZINC001610542574 1165347958 /nfs/dbraw/zinc/34/79/58/1165347958.db2.gz FJXNOHUZPBVXHE-UHFFFAOYSA-N -1 1 294.351 1.431 20 0 CDADMM Cc1sccc1CN1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001610594830 1165369285 /nfs/dbraw/zinc/36/92/85/1165369285.db2.gz VQWCSJCKGLCSJW-MNOVXSKESA-N -1 1 255.339 1.466 20 0 CDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)C[C@H]1C=CCCC1 ZINC001610653474 1165397072 /nfs/dbraw/zinc/39/70/72/1165397072.db2.gz OSBFJXYYMWDCKE-JQWIXIFHSA-N -1 1 277.324 1.268 20 0 CDADMM O=C([O-])c1cccc2[nH]c(NC(=O)CCc3cnc[nH]3)nc21 ZINC001610658311 1165400082 /nfs/dbraw/zinc/40/00/82/1165400082.db2.gz ASMIJIKUWZNSJY-UHFFFAOYSA-N -1 1 299.290 1.556 20 0 CDADMM CCS(=O)(CC)=NS(=O)(=O)[N-]c1cccc(O)c1 ZINC000872330392 1165419223 /nfs/dbraw/zinc/41/92/23/1165419223.db2.gz FPTTZPDBBZFHGC-UHFFFAOYSA-N -1 1 292.382 1.557 20 0 CDADMM O=C([O-])CCNC(=O)CN1CCC(OC2CCCC2)CC1 ZINC001610774524 1165438500 /nfs/dbraw/zinc/43/85/00/1165438500.db2.gz YSLRBFXJAYGSNK-UHFFFAOYSA-N -1 1 298.383 1.001 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(Cc3cccc(F)c3F)C[C@@H]21 ZINC001610803798 1165448491 /nfs/dbraw/zinc/44/84/91/1165448491.db2.gz LWXCFOVCTPSNLH-JZYVYDRUSA-N -1 1 253.248 1.727 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)[C@@H]3CCOC3)[nH]c21 ZINC001610850219 1165461852 /nfs/dbraw/zinc/46/18/52/1165461852.db2.gz UUQBPHXZSZUXDD-SSDOTTSWSA-N -1 1 275.264 1.236 20 0 CDADMM COC(=O)c1ccc(C(=O)OC2CCSCC2)[n-]1 ZINC000873555934 1165571494 /nfs/dbraw/zinc/57/14/94/1165571494.db2.gz MFSHCWLXRVBFNU-UHFFFAOYSA-N -1 1 269.322 1.854 20 0 CDADMM CCCCCC[C@H](C)NC(=O)CCCc1nn[n-]n1 ZINC000873917248 1165595100 /nfs/dbraw/zinc/59/51/00/1165595100.db2.gz YLGVXLWTXYIKAG-NSHDSACASA-N -1 1 267.377 1.998 20 0 CDADMM O=C(NCc1nc(-c2ccncc2)no1)c1ccc([O-])cn1 ZINC001617695483 1165604935 /nfs/dbraw/zinc/60/49/35/1165604935.db2.gz LZVLUBFQQUTTBM-UHFFFAOYSA-N -1 1 297.274 1.162 20 0 CDADMM CC1(C)[C@H](NC(=O)c2ccc([O-])cn2)[C@H]2CCO[C@H]21 ZINC001618253651 1165626088 /nfs/dbraw/zinc/62/60/88/1165626088.db2.gz PNBNDLFVCMULAC-YUSALJHKSA-N -1 1 262.309 1.331 20 0 CDADMM CSc1ncc(C(=O)NC[C@@H]2C[C@H]2C)c(=O)[n-]1 ZINC001624613724 1165852504 /nfs/dbraw/zinc/85/25/04/1165852504.db2.gz QVUUREJLPGKORT-RQJHMYQMSA-N -1 1 253.327 1.290 20 0 CDADMM Cc1cc2cc(NC(=O)C3=C([O-])C(C)N=N3)ccc2[nH]c1=O ZINC001624799056 1165867130 /nfs/dbraw/zinc/86/71/30/1165867130.db2.gz TVSFSOJXFCJRAR-UHFFFAOYSA-N -1 1 298.302 1.826 20 0 CDADMM Cn1[n-]cc2c(=NC(=O)N3CCC[C@@H](CF)C3)ccnc1-2 ZINC000879416047 1166347108 /nfs/dbraw/zinc/34/71/08/1166347108.db2.gz LYICCHKVLKXPHB-JTQLQIEISA-N -1 1 291.330 1.555 20 0 CDADMM CCC(CC)(NC(=O)c1cccc(O)c1)c1nn[n-]n1 ZINC000095284786 1166618565 /nfs/dbraw/zinc/61/85/65/1166618565.db2.gz ZYPQYULPALVRJU-UHFFFAOYSA-N -1 1 275.312 1.351 20 0 CDADMM c1nc(N2CCC3(CCCC3)CC2)cnc1-c1nnn[n-]1 ZINC000095337328 1166622584 /nfs/dbraw/zinc/62/25/84/1166622584.db2.gz SAVDLNABMXVZDU-UHFFFAOYSA-N -1 1 285.355 1.817 20 0 CDADMM c1nc(N2CCC3(CCCC3)CC2)cnc1-c1nn[n-]n1 ZINC000095337328 1166622586 /nfs/dbraw/zinc/62/25/86/1166622586.db2.gz SAVDLNABMXVZDU-UHFFFAOYSA-N -1 1 285.355 1.817 20 0 CDADMM CCn1cc(Cl)cc1C(=O)Nc1ccncc1[O-] ZINC001638303922 1166836849 /nfs/dbraw/zinc/83/68/49/1166836849.db2.gz HEUKMEHYMWPGSA-UHFFFAOYSA-N -1 1 265.700 1.936 20 0 CDADMM Cn1cc(-c2ncccc2NC(=O)c2ccc([O-])cn2)cn1 ZINC001638422627 1166845753 /nfs/dbraw/zinc/84/57/53/1166845753.db2.gz CTRNVATXDRJPHU-UHFFFAOYSA-N -1 1 295.302 1.835 20 0 CDADMM O=C(Nc1cnc2ccccn12)c1ccc2[nH]c(=O)nc-2[nH]1 ZINC001640011860 1166982341 /nfs/dbraw/zinc/98/23/41/1166982341.db2.gz RQJMMTKXLPQNAP-UHFFFAOYSA-N -1 1 294.274 1.564 20 0 CDADMM C[C@@H](NC(=O)c1[n-][nH]c2cc(=O)ccc1-2)c1cnn(C)c1 ZINC001155269857 1167111231 /nfs/dbraw/zinc/11/12/31/1167111231.db2.gz RPSWIKQPCQKUSW-MRVPVSSYSA-N -1 1 285.307 1.493 20 0 CDADMM O=C(NCc1nc([O-])cc(=O)[nH]1)c1cc2ccccn2c1 ZINC001641493155 1167112936 /nfs/dbraw/zinc/11/29/36/1167112936.db2.gz FDMAEXSKGZOCPD-UHFFFAOYSA-N -1 1 284.275 1.071 20 0 CDADMM COCc1nc(SCC(=O)c2ccc([O-])cc2O)n[nH]1 ZINC001649721943 1169307621 /nfs/dbraw/zinc/30/76/21/1169307621.db2.gz YDCXCRLICDDAFV-UHFFFAOYSA-N -1 1 295.320 1.337 20 0 CDADMM CC(C)c1ncc(CN[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])s1 ZINC001650010137 1169599846 /nfs/dbraw/zinc/59/98/46/1169599846.db2.gz IYFKHUQDFMFSGP-IUCAKERBSA-N -1 1 299.396 1.334 20 0 CDADMM O=C([N-]c1cc(-c2nn[nH]n2)ccc1F)c1cnns1 ZINC001570237445 1170118702 /nfs/dbraw/zinc/11/87/02/1170118702.db2.gz WZQSULGIJGKHGL-UHFFFAOYSA-N -1 1 291.271 1.110 20 0 CDADMM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1c[n-][nH]c1=O ZINC001651044603 1171281881 /nfs/dbraw/zinc/28/18/81/1171281881.db2.gz QLCRIBQUPSVICM-PSASIEDQSA-N -1 1 253.302 1.649 20 0 CDADMM CCC(CC)Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001576757389 1171506576 /nfs/dbraw/zinc/50/65/76/1171506576.db2.gz GDMUJYYTLZMJMR-UHFFFAOYSA-N -1 1 287.367 1.953 20 0 CDADMM Cc1ncccc1CCNC(=O)c1ccc([O-])cn1 ZINC001653409730 1171543048 /nfs/dbraw/zinc/54/30/48/1171543048.db2.gz CPSYJVBTQUKMDT-UHFFFAOYSA-N -1 1 257.293 1.463 20 0 CDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)C2CCCCCC2)n1 ZINC001581753652 1172621886 /nfs/dbraw/zinc/62/18/86/1172621886.db2.gz NIRORJWCBIPHHW-UHFFFAOYSA-N -1 1 289.343 1.509 20 0 CDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)C2CCCCCC2)n1 ZINC001581753652 1172621890 /nfs/dbraw/zinc/62/18/90/1172621890.db2.gz NIRORJWCBIPHHW-UHFFFAOYSA-N -1 1 289.343 1.509 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1sccc1Cl ZINC001582650601 1172686083 /nfs/dbraw/zinc/68/60/83/1172686083.db2.gz XDKVRGDSQQCRML-UHFFFAOYSA-N -1 1 295.715 1.557 20 0 CDADMM CC(=O)[C@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)C(C)C ZINC001588785801 1173107522 /nfs/dbraw/zinc/10/75/22/1173107522.db2.gz MORFHEABWNVZAY-LLVKDONJSA-N -1 1 289.295 1.032 20 0 CDADMM CC(=O)[C@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)C(C)C ZINC001588785801 1173107527 /nfs/dbraw/zinc/10/75/27/1173107527.db2.gz MORFHEABWNVZAY-LLVKDONJSA-N -1 1 289.295 1.032 20 0 CDADMM CC(C)(C(=O)NCc1ccnc(-c2nnn[n-]2)c1)C(F)F ZINC001589052868 1173122375 /nfs/dbraw/zinc/12/23/75/1173122375.db2.gz WSSDHWDKTWDUDO-UHFFFAOYSA-N -1 1 296.281 1.169 20 0 CDADMM CC(C)(C(=O)NCc1ccnc(-c2nn[n-]n2)c1)C(F)F ZINC001589052868 1173122379 /nfs/dbraw/zinc/12/23/79/1173122379.db2.gz WSSDHWDKTWDUDO-UHFFFAOYSA-N -1 1 296.281 1.169 20 0 CDADMM CC(C)(CO)CCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589294109 1173134950 /nfs/dbraw/zinc/13/49/50/1173134950.db2.gz RCFIRLFKIVBSPC-UHFFFAOYSA-N -1 1 295.368 1.067 20 0 CDADMM CC(C)[C@H](Nc1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001589475774 1173146847 /nfs/dbraw/zinc/14/68/47/1173146847.db2.gz KBCHAPBDGTWYKV-JTQLQIEISA-N -1 1 299.342 1.199 20 0 CDADMM CC(C)[C@H](Nc1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001589475774 1173146852 /nfs/dbraw/zinc/14/68/52/1173146852.db2.gz KBCHAPBDGTWYKV-JTQLQIEISA-N -1 1 299.342 1.199 20 0 CDADMM CC(C)[C@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001589476240 1173149068 /nfs/dbraw/zinc/14/90/68/1173149068.db2.gz PJULWWDSPLDMPB-ZDUSSCGKSA-N -1 1 295.350 1.888 20 0 CDADMM CC(C)[C@H]1CCN1c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589510997 1173154622 /nfs/dbraw/zinc/15/46/22/1173154622.db2.gz RFVZOPUBHWMRJR-LLVKDONJSA-N -1 1 285.355 1.769 20 0 CDADMM CC(C)[C@H]1CCN1c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589510997 1173154625 /nfs/dbraw/zinc/15/46/25/1173154625.db2.gz RFVZOPUBHWMRJR-LLVKDONJSA-N -1 1 285.355 1.769 20 0 CDADMM CC(C)CSCCCNc1ncncc1-c1nn[n-]n1 ZINC001589653455 1173166024 /nfs/dbraw/zinc/16/60/24/1173166024.db2.gz PNVUJUZZOJQFMY-UHFFFAOYSA-N -1 1 293.400 1.848 20 0 CDADMM C[C@@H](CC(F)(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001589798381 1173179006 /nfs/dbraw/zinc/17/90/06/1173179006.db2.gz AUQCLPSRGXFQDH-YFKPBYRVSA-N -1 1 273.222 1.410 20 0 CDADMM C[C@@H](CC(F)(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001589798381 1173179012 /nfs/dbraw/zinc/17/90/12/1173179012.db2.gz AUQCLPSRGXFQDH-YFKPBYRVSA-N -1 1 273.222 1.410 20 0 CDADMM C[C@@H](CCC(=O)[O-])C[NH2+]Cc1csc(-c2nn[n-]n2)c1 ZINC001589803604 1173183980 /nfs/dbraw/zinc/18/39/80/1173183980.db2.gz TXKHTVSAFGOXBT-QMMMGPOBSA-N -1 1 295.368 1.519 20 0 CDADMM CC1(C)C[C@@]1(C)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590087794 1173251685 /nfs/dbraw/zinc/25/16/85/1173251685.db2.gz YNRPZXUMFVPFTI-CYBMUJFWSA-N -1 1 287.327 1.572 20 0 CDADMM CC1(C)C[C@@]1(C)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590087794 1173251690 /nfs/dbraw/zinc/25/16/90/1173251690.db2.gz YNRPZXUMFVPFTI-CYBMUJFWSA-N -1 1 287.327 1.572 20 0 CDADMM CC1(C)CCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001590097626 1173256401 /nfs/dbraw/zinc/25/64/01/1173256401.db2.gz UQSSUEITBADLBQ-UHFFFAOYSA-N -1 1 275.312 1.722 20 0 CDADMM CC1(C)CCCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590097626 1173256407 /nfs/dbraw/zinc/25/64/07/1173256407.db2.gz UQSSUEITBADLBQ-UHFFFAOYSA-N -1 1 275.312 1.722 20 0 CDADMM CC1(C)CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001590097675 1173257644 /nfs/dbraw/zinc/25/76/44/1173257644.db2.gz YNGMJGFFNGGTJQ-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM CC1(C)CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001590097675 1173257647 /nfs/dbraw/zinc/25/76/47/1173257647.db2.gz YNGMJGFFNGGTJQ-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM CC1(C)CO[C@H](COc2cccnc2-c2nnn[n-]2)C1 ZINC001590111687 1173260300 /nfs/dbraw/zinc/26/03/00/1173260300.db2.gz SMZWAUJMNWBAOQ-VIFPVBQESA-N -1 1 275.312 1.456 20 0 CDADMM CC1(C)CO[C@H](COc2cccnc2-c2nn[n-]n2)C1 ZINC001590111687 1173260302 /nfs/dbraw/zinc/26/03/02/1173260302.db2.gz SMZWAUJMNWBAOQ-VIFPVBQESA-N -1 1 275.312 1.456 20 0 CDADMM C[C@]1(CCCO)CCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001590125715 1173264428 /nfs/dbraw/zinc/26/44/28/1173264428.db2.gz UGPHCTZHQMYJDB-CQSZACIVSA-N -1 1 288.355 1.393 20 0 CDADMM C[C@]1(CCCO)CCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001590125715 1173264433 /nfs/dbraw/zinc/26/44/33/1173264433.db2.gz UGPHCTZHQMYJDB-CQSZACIVSA-N -1 1 288.355 1.393 20 0 CDADMM CC1(NC(=O)c2csc(-c3nn[n-]n3)c2)CCOCC1 ZINC001590147395 1173272916 /nfs/dbraw/zinc/27/29/16/1173272916.db2.gz ZAORYDPKRVRJCH-UHFFFAOYSA-N -1 1 293.352 1.227 20 0 CDADMM C[C@@H]1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001590240160 1173312790 /nfs/dbraw/zinc/31/27/90/1173312790.db2.gz CXQRYIBXPZZILC-OUAUKWLOSA-N -1 1 287.371 1.563 20 0 CDADMM C[C@@H]1[C@@H](C)CCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590269664 1173327186 /nfs/dbraw/zinc/32/71/86/1173327186.db2.gz FRWJVLAFLIXHTB-JGVFFNPUSA-N -1 1 277.353 1.799 20 0 CDADMM C[C@@H]1Cc2n[nH]cc2CN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590328269 1173356558 /nfs/dbraw/zinc/35/65/58/1173356558.db2.gz WYGLSOMLPZCVSM-SECBINFHSA-N -1 1 296.338 1.184 20 0 CDADMM CC[C@@](C)(NC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001590381051 1173384252 /nfs/dbraw/zinc/38/42/52/1173384252.db2.gz BQGKFDYABFJLBH-CQSZACIVSA-N -1 1 286.339 1.570 20 0 CDADMM CC[C@@](C)(NC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001590381051 1173384258 /nfs/dbraw/zinc/38/42/58/1173384258.db2.gz BQGKFDYABFJLBH-CQSZACIVSA-N -1 1 286.339 1.570 20 0 CDADMM CC[C@H](Nc1cccnc1-c1nnn[n-]1)[C@H]1CCCOC1 ZINC001590473241 1173425127 /nfs/dbraw/zinc/42/51/27/1173425127.db2.gz MRCMPGYONVYEIK-QWRGUYRKSA-N -1 1 288.355 1.879 20 0 CDADMM CC[C@H](Nc1cccnc1-c1nn[n-]n1)[C@H]1CCCOC1 ZINC001590473241 1173425133 /nfs/dbraw/zinc/42/51/33/1173425133.db2.gz MRCMPGYONVYEIK-QWRGUYRKSA-N -1 1 288.355 1.879 20 0 CDADMM CC[C@H]1CCC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001590507028 1173440654 /nfs/dbraw/zinc/44/06/54/1173440654.db2.gz IAHKYSSJBZYKGD-IUCAKERBSA-N -1 1 259.317 1.647 20 0 CDADMM CC[C@H]1CCC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001590507028 1173440662 /nfs/dbraw/zinc/44/06/62/1173440662.db2.gz IAHKYSSJBZYKGD-IUCAKERBSA-N -1 1 259.317 1.647 20 0 CDADMM CCC1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001590504509 1173441351 /nfs/dbraw/zinc/44/13/51/1173441351.db2.gz HCBNOAURNGYWBV-UHFFFAOYSA-N -1 1 287.371 1.707 20 0 CDADMM CCC1CN(C(=O)c2cc(-c3nnn[n-]3)oc2C)C1 ZINC001590522324 1173449211 /nfs/dbraw/zinc/44/92/11/1173449211.db2.gz VCNZYCJRZXMJRP-UHFFFAOYSA-N -1 1 261.285 1.250 20 0 CDADMM CCC1CN(C(=O)c2cc(-c3nn[n-]n3)oc2C)C1 ZINC001590522324 1173449215 /nfs/dbraw/zinc/44/92/15/1173449215.db2.gz VCNZYCJRZXMJRP-UHFFFAOYSA-N -1 1 261.285 1.250 20 0 CDADMM CC[C@@H]1CN(c2nc(-c3nnn[n-]3)ccc2C)C[C@@H](C)O1 ZINC001590524732 1173452888 /nfs/dbraw/zinc/45/28/88/1173452888.db2.gz RXXKRAMZWSOFNY-GHMZBOCLSA-N -1 1 288.355 1.574 20 0 CDADMM CC[C@@H]1CN(c2nc(-c3nn[n-]n3)ccc2C)C[C@@H](C)O1 ZINC001590524732 1173452895 /nfs/dbraw/zinc/45/28/95/1173452895.db2.gz RXXKRAMZWSOFNY-GHMZBOCLSA-N -1 1 288.355 1.574 20 0 CDADMM CCOC(Cn1c(C)c(C)nc1-c1nnn[n-]1)OCC ZINC001590785246 1173511167 /nfs/dbraw/zinc/51/11/67/1173511167.db2.gz LFFUIDMHCXWTEM-UHFFFAOYSA-N -1 1 280.332 1.079 20 0 CDADMM CCOC(Cn1c(C)c(C)nc1-c1nn[n-]n1)OCC ZINC001590785246 1173511171 /nfs/dbraw/zinc/51/11/71/1173511171.db2.gz LFFUIDMHCXWTEM-UHFFFAOYSA-N -1 1 280.332 1.079 20 0 CDADMM CCOC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001590800132 1173516778 /nfs/dbraw/zinc/51/67/78/1173516778.db2.gz ATQCJLCWBZDRHG-SNVBAGLBSA-N -1 1 289.343 1.052 20 0 CDADMM CCOC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001590800132 1173516781 /nfs/dbraw/zinc/51/67/81/1173516781.db2.gz ATQCJLCWBZDRHG-SNVBAGLBSA-N -1 1 289.343 1.052 20 0 CDADMM CCO[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590819761 1173522822 /nfs/dbraw/zinc/52/28/22/1173522822.db2.gz AFFNYSANFUDALG-RKDXNWHRSA-N -1 1 291.311 1.147 20 0 CDADMM CCO[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590819761 1173522825 /nfs/dbraw/zinc/52/28/25/1173522825.db2.gz AFFNYSANFUDALG-RKDXNWHRSA-N -1 1 291.311 1.147 20 0 CDADMM CCc1cnccc1CNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001590902167 1173538532 /nfs/dbraw/zinc/53/85/32/1173538532.db2.gz VZYGAQQMVYBONA-UHFFFAOYSA-N -1 1 296.338 1.535 20 0 CDADMM CCc1cnccc1CNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001590902167 1173538535 /nfs/dbraw/zinc/53/85/35/1173538535.db2.gz VZYGAQQMVYBONA-UHFFFAOYSA-N -1 1 296.338 1.535 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCSC[C@@H]2C)n1 ZINC001590907645 1173542489 /nfs/dbraw/zinc/54/24/89/1173542489.db2.gz FXWBUTKBSJXIHX-QMMMGPOBSA-N -1 1 291.384 1.161 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCSC[C@@H]2C)n1 ZINC001590907645 1173542492 /nfs/dbraw/zinc/54/24/92/1173542492.db2.gz FXWBUTKBSJXIHX-QMMMGPOBSA-N -1 1 291.384 1.161 20 0 CDADMM CN(CCC(C)(C)C)c1ccc(-c2nnn[n-]2)nn1 ZINC001591064793 1173569145 /nfs/dbraw/zinc/56/91/45/1173569145.db2.gz WMNIYPMDTURYPZ-UHFFFAOYSA-N -1 1 261.333 1.529 20 0 CDADMM CN(CCC(C)(C)C)c1ccc(-c2nn[n-]n2)nn1 ZINC001591064793 1173569151 /nfs/dbraw/zinc/56/91/51/1173569151.db2.gz WMNIYPMDTURYPZ-UHFFFAOYSA-N -1 1 261.333 1.529 20 0 CDADMM C[N@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1ccc(O)cc1 ZINC001591141413 1173579629 /nfs/dbraw/zinc/57/96/29/1173579629.db2.gz NLNDTHQFJQHJGR-UHFFFAOYSA-N -1 1 285.307 1.797 20 0 CDADMM CO[C@H](CC(C)C)Cn1cccc(-c2nn[n-]n2)c1=O ZINC001591326379 1173611625 /nfs/dbraw/zinc/61/16/25/1173611625.db2.gz CIVDYCPXTAFMBD-SNVBAGLBSA-N -1 1 277.328 1.090 20 0 CDADMM CO[C@]1(C)CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001591338805 1173617001 /nfs/dbraw/zinc/61/70/01/1173617001.db2.gz NSQXTQYRHMWBRD-CYBMUJFWSA-N -1 1 289.343 1.052 20 0 CDADMM CO[C@]1(C)CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001591338805 1173617005 /nfs/dbraw/zinc/61/70/05/1173617005.db2.gz NSQXTQYRHMWBRD-CYBMUJFWSA-N -1 1 289.343 1.052 20 0 CDADMM CO[C@H]1CN(c2ccc(C)c(-c3nnn[n-]3)n2)CC[C@@H]1C ZINC001591359325 1173628000 /nfs/dbraw/zinc/62/80/00/1173628000.db2.gz CMCZLWYBQCOUNT-ONGXEEELSA-N -1 1 288.355 1.431 20 0 CDADMM CO[C@H]1CN(c2ccc(C)c(-c3nn[n-]n3)n2)CC[C@@H]1C ZINC001591359325 1173628004 /nfs/dbraw/zinc/62/80/04/1173628004.db2.gz CMCZLWYBQCOUNT-ONGXEEELSA-N -1 1 288.355 1.431 20 0 CDADMM CO[C@H]1CCC[C@@H]1CNc1ccc(C)nc1-c1nnn[n-]1 ZINC001591359930 1173628815 /nfs/dbraw/zinc/62/88/15/1173628815.db2.gz GHYNFXSNDAPENX-PWSUYJOCSA-N -1 1 288.355 1.797 20 0 CDADMM CO[C@H]1CCC[C@@H]1CNc1ccc(C)nc1-c1nn[n-]n1 ZINC001591359930 1173628820 /nfs/dbraw/zinc/62/88/20/1173628820.db2.gz GHYNFXSNDAPENX-PWSUYJOCSA-N -1 1 288.355 1.797 20 0 CDADMM COC[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001591452646 1173652080 /nfs/dbraw/zinc/65/20/80/1173652080.db2.gz JBVGEIVMUFKNHX-BYPYZUCNSA-N -1 1 274.737 1.423 20 0 CDADMM COC[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591452646 1173652083 /nfs/dbraw/zinc/65/20/83/1173652083.db2.gz JBVGEIVMUFKNHX-BYPYZUCNSA-N -1 1 274.737 1.423 20 0 CDADMM COc1cc(C)cc(CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001591520404 1173663349 /nfs/dbraw/zinc/66/33/49/1173663349.db2.gz WUPNHHUZCFNPFL-UHFFFAOYSA-N -1 1 297.322 1.008 20 0 CDADMM C[Si](C)(C)COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591780365 1173701699 /nfs/dbraw/zinc/70/16/99/1173701699.db2.gz UYDHXTNRJIPVPW-UHFFFAOYSA-N -1 1 277.360 1.296 20 0 CDADMM C[Si](C)(C)COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591780365 1173701704 /nfs/dbraw/zinc/70/17/04/1173701704.db2.gz UYDHXTNRJIPVPW-UHFFFAOYSA-N -1 1 277.360 1.296 20 0 CDADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2cccc(F)c2)c1 ZINC001591836920 1173711865 /nfs/dbraw/zinc/71/18/65/1173711865.db2.gz OCPBVJIRVUTLLJ-UHFFFAOYSA-N -1 1 285.282 1.524 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C)C[C@H](CO)C2)c1 ZINC001591883710 1173736710 /nfs/dbraw/zinc/73/67/10/1173736710.db2.gz BYAUQIVGXKMLOG-MNOVXSKESA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](C)C[C@H](CO)C2)c1 ZINC001591883710 1173736719 /nfs/dbraw/zinc/73/67/19/1173736719.db2.gz BYAUQIVGXKMLOG-MNOVXSKESA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2C=CCC2)n1 ZINC001591895097 1173741134 /nfs/dbraw/zinc/74/11/34/1173741134.db2.gz RHATVXNNCODXRT-VIFPVBQESA-N -1 1 257.301 1.343 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2C=CCC2)n1 ZINC001591895097 1173741139 /nfs/dbraw/zinc/74/11/39/1173741139.db2.gz RHATVXNNCODXRT-VIFPVBQESA-N -1 1 257.301 1.343 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@]2(C)C(C)C)n1 ZINC001591892920 1173741658 /nfs/dbraw/zinc/74/16/58/1173741658.db2.gz ULWNWGQSNMREGC-GXFFZTMASA-N -1 1 273.344 1.812 20 0 CDADMM Cc1cc(CNc2ncncc2-c2nn[n-]n2)cc(C)c1O ZINC001591969992 1173761947 /nfs/dbraw/zinc/76/19/47/1173761947.db2.gz ALFZVZYZWQHCBH-UHFFFAOYSA-N -1 1 297.322 1.591 20 0 CDADMM Cc1cc(N[C@@H](CO)CC(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001592035701 1173778055 /nfs/dbraw/zinc/77/80/55/1173778055.db2.gz MXWKKHHHEBYWAK-LLVKDONJSA-N -1 1 290.371 1.201 20 0 CDADMM Cc1cc(N[C@@H](CO)CC(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001592035701 1173778058 /nfs/dbraw/zinc/77/80/58/1173778058.db2.gz MXWKKHHHEBYWAK-LLVKDONJSA-N -1 1 290.371 1.201 20 0 CDADMM Cc1cc(NCC[C@H]2CCCOC2)nc(-c2nnn[n-]2)c1 ZINC001592046282 1173783180 /nfs/dbraw/zinc/78/31/80/1173783180.db2.gz RAKCTRTWHWRXJF-LLVKDONJSA-N -1 1 288.355 1.799 20 0 CDADMM Cc1cc(NCC[C@H]2CCCOC2)nc(-c2nn[n-]n2)c1 ZINC001592046282 1173783184 /nfs/dbraw/zinc/78/31/84/1173783184.db2.gz RAKCTRTWHWRXJF-LLVKDONJSA-N -1 1 288.355 1.799 20 0 CDADMM Cc1cc(N[C@@H]2CCCOC2)nc(-c2nnn[n-]2)c1 ZINC001592054442 1173788316 /nfs/dbraw/zinc/78/83/16/1173788316.db2.gz VGCVCAHZRSWSPS-SECBINFHSA-N -1 1 260.301 1.161 20 0 CDADMM Cc1cc(N[C@@H]2CCCOC2)nc(-c2nn[n-]n2)c1 ZINC001592054442 1173788322 /nfs/dbraw/zinc/78/83/22/1173788322.db2.gz VGCVCAHZRSWSPS-SECBINFHSA-N -1 1 260.301 1.161 20 0 CDADMM Cc1cc(NCc2nc(-c3nnn[n-]3)cs2)nnc1C ZINC001592053422 1173789616 /nfs/dbraw/zinc/78/96/16/1173789616.db2.gz BNPRHEFUZUXUDI-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Cc1cc(NCc2nc(-c3nn[n-]n3)cs2)nnc1C ZINC001592053422 1173789619 /nfs/dbraw/zinc/78/96/19/1173789619.db2.gz BNPRHEFUZUXUDI-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Cc1cc2n[nH]cc2cc1Nc1cncc(-c2nnn[n-]2)n1 ZINC001592070027 1173795029 /nfs/dbraw/zinc/79/50/29/1173795029.db2.gz JEBHPYLSLNOZEV-UHFFFAOYSA-N -1 1 293.294 1.585 20 0 CDADMM Cc1cc2n[nH]cc2cc1Nc1cncc(-c2nn[n-]n2)n1 ZINC001592070027 1173795034 /nfs/dbraw/zinc/79/50/34/1173795034.db2.gz JEBHPYLSLNOZEV-UHFFFAOYSA-N -1 1 293.294 1.585 20 0 CDADMM Cc1ccc(CN(C)c2cc(-c3nnn[n-]3)ncn2)s1 ZINC001592152284 1173812698 /nfs/dbraw/zinc/81/26/98/1173812698.db2.gz JHSMXMQGSNOGGH-UHFFFAOYSA-N -1 1 287.352 1.663 20 0 CDADMM Cc1ccc(CN(C)c2cc(-c3nn[n-]n3)ncn2)s1 ZINC001592152284 1173812701 /nfs/dbraw/zinc/81/27/01/1173812701.db2.gz JHSMXMQGSNOGGH-UHFFFAOYSA-N -1 1 287.352 1.663 20 0 CDADMM Cc1ccc(NC[C@H]2CCC=CO2)c(-c2nnn[n-]2)n1 ZINC001592182812 1173825471 /nfs/dbraw/zinc/82/54/71/1173825471.db2.gz AKGVFIAHGIJRQG-SNVBAGLBSA-N -1 1 272.312 1.675 20 0 CDADMM Cc1ccc(NC[C@H]2CCC=CO2)c(-c2nn[n-]n2)n1 ZINC001592182812 1173825475 /nfs/dbraw/zinc/82/54/75/1173825475.db2.gz AKGVFIAHGIJRQG-SNVBAGLBSA-N -1 1 272.312 1.675 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@H](C)O[C@H]2C)nc1-c1nnn[n-]1 ZINC001592183274 1173829556 /nfs/dbraw/zinc/82/95/56/1173829556.db2.gz CFFPXNDVVZNYCZ-LPEHRKFASA-N -1 1 274.328 1.548 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@H](C)O[C@H]2C)nc1-c1nn[n-]n1 ZINC001592183274 1173829559 /nfs/dbraw/zinc/82/95/59/1173829559.db2.gz CFFPXNDVVZNYCZ-LPEHRKFASA-N -1 1 274.328 1.548 20 0 CDADMM Cc1ccccc1CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001592257576 1173836741 /nfs/dbraw/zinc/83/67/41/1173836741.db2.gz WPEOUKBRPKHJOV-UHFFFAOYSA-N -1 1 294.318 1.500 20 0 CDADMM Cc1ccccc1CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001592257576 1173836743 /nfs/dbraw/zinc/83/67/43/1173836743.db2.gz WPEOUKBRPKHJOV-UHFFFAOYSA-N -1 1 294.318 1.500 20 0 CDADMM Cc1ccnc(NC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001592272546 1173842039 /nfs/dbraw/zinc/84/20/39/1173842039.db2.gz FQIPEHDQFSMIAW-UHFFFAOYSA-N -1 1 270.252 1.415 20 0 CDADMM Cc1ccnc(NC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001592272546 1173842042 /nfs/dbraw/zinc/84/20/42/1173842042.db2.gz FQIPEHDQFSMIAW-UHFFFAOYSA-N -1 1 270.252 1.415 20 0 CDADMM Cc1cnccc1Sc1ccc(-c2nnn[n-]2)nn1 ZINC001592302186 1173851579 /nfs/dbraw/zinc/85/15/79/1173851579.db2.gz VLMOIMILDNBAFA-UHFFFAOYSA-N -1 1 271.309 1.511 20 0 CDADMM Cc1cnccc1Sc1ccc(-c2nn[n-]n2)nn1 ZINC001592302186 1173851588 /nfs/dbraw/zinc/85/15/88/1173851588.db2.gz VLMOIMILDNBAFA-UHFFFAOYSA-N -1 1 271.309 1.511 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC3(CCC3)C[C@@H]2C)n1 ZINC001592337647 1173859000 /nfs/dbraw/zinc/85/90/00/1173859000.db2.gz MSUIMKLHWIZAGM-VIFPVBQESA-N -1 1 285.355 1.734 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC3(CCC3)C[C@@H]2C)n1 ZINC001592337647 1173859006 /nfs/dbraw/zinc/85/90/06/1173859006.db2.gz MSUIMKLHWIZAGM-VIFPVBQESA-N -1 1 285.355 1.734 20 0 CDADMM Cc1nc(CCNc2cncc(-c3nnn[n-]3)n2)cs1 ZINC001592359575 1173867062 /nfs/dbraw/zinc/86/70/62/1173867062.db2.gz IYNSRHKBLBGIFG-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM Cc1nc(CCNc2cncc(-c3nn[n-]n3)n2)cs1 ZINC001592359575 1173867063 /nfs/dbraw/zinc/86/70/63/1173867063.db2.gz IYNSRHKBLBGIFG-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM Cc1nc(NC2Cc3ccccc3C2)cc(-c2nnn[n-]2)n1 ZINC001592383536 1173876315 /nfs/dbraw/zinc/87/63/15/1173876315.db2.gz DCWKTHCMUKOTSX-UHFFFAOYSA-N -1 1 293.334 1.544 20 0 CDADMM Cc1nc(NC2Cc3ccccc3C2)cc(-c2nn[n-]n2)n1 ZINC001592383536 1173876320 /nfs/dbraw/zinc/87/63/20/1173876320.db2.gz DCWKTHCMUKOTSX-UHFFFAOYSA-N -1 1 293.334 1.544 20 0 CDADMM Cc1ncc(COC(=O)c2sccc2-c2nn[n-]n2)o1 ZINC001592410473 1173881074 /nfs/dbraw/zinc/88/10/74/1173881074.db2.gz RWIKDRRIJIAYTH-UHFFFAOYSA-N -1 1 291.292 1.582 20 0 CDADMM Cc1nc(Sc2ccnc(-c3nn[n-]n3)n2)oc1C ZINC001592399865 1173881740 /nfs/dbraw/zinc/88/17/40/1173881740.db2.gz XTZDWKLPLQMILD-UHFFFAOYSA-N -1 1 275.297 1.413 20 0 CDADMM Cc1cnc(C)nc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592407985 1173881996 /nfs/dbraw/zinc/88/19/96/1173881996.db2.gz BRZKPUDNPVTAOK-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1ncc(NC(=O)c2coc(-c3nnn[n-]3)c2)s1 ZINC001592411539 1173884474 /nfs/dbraw/zinc/88/44/74/1173884474.db2.gz BOSRRWDIENQARO-UHFFFAOYSA-N -1 1 276.281 1.477 20 0 CDADMM Cc1ncc(NC(=O)c2coc(-c3nn[n-]n3)c2)s1 ZINC001592411539 1173884479 /nfs/dbraw/zinc/88/44/79/1173884479.db2.gz BOSRRWDIENQARO-UHFFFAOYSA-N -1 1 276.281 1.477 20 0 CDADMM Cc1ncccc1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001592417940 1173885160 /nfs/dbraw/zinc/88/51/60/1173885160.db2.gz ZFTSOCCAJMMOGC-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1ncccc1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001592417940 1173885173 /nfs/dbraw/zinc/88/51/73/1173885173.db2.gz ZFTSOCCAJMMOGC-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1noc(C)c1C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001592455666 1173893681 /nfs/dbraw/zinc/89/36/81/1173893681.db2.gz OKGPHELTARFXMM-UHFFFAOYSA-N -1 1 299.294 1.143 20 0 CDADMM Cc1noc(C)c1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001592455666 1173893686 /nfs/dbraw/zinc/89/36/86/1173893686.db2.gz OKGPHELTARFXMM-UHFFFAOYSA-N -1 1 299.294 1.143 20 0 CDADMM Cc1nnccc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001592451147 1173894796 /nfs/dbraw/zinc/89/47/96/1173894796.db2.gz XGJSVGHNGLKLJR-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CC[C@H](C)C1 ZINC001592499604 1173904634 /nfs/dbraw/zinc/90/46/34/1173904634.db2.gz PVFNJBSBOCQFMH-IONNQARKSA-N -1 1 275.312 1.687 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CC[C@H](C)C1 ZINC001592499604 1173904637 /nfs/dbraw/zinc/90/46/37/1173904637.db2.gz PVFNJBSBOCQFMH-IONNQARKSA-N -1 1 275.312 1.687 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCc1ccccc1 ZINC001592502228 1173907834 /nfs/dbraw/zinc/90/78/34/1173907834.db2.gz ZGBYBFGPVWBFLY-UHFFFAOYSA-N -1 1 297.318 1.741 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCc1ccccc1 ZINC001592502228 1173907837 /nfs/dbraw/zinc/90/78/37/1173907837.db2.gz ZGBYBFGPVWBFLY-UHFFFAOYSA-N -1 1 297.318 1.741 20 0 CDADMM Clc1nc(N[C@@H]2CCOC2)sc1-c1nnn[n-]1 ZINC001592537756 1173915793 /nfs/dbraw/zinc/91/57/93/1173915793.db2.gz BQWGXUYJIKLULR-SCSAIBSYSA-N -1 1 272.721 1.177 20 0 CDADMM Clc1nc(N[C@@H]2CCOC2)sc1-c1nn[n-]n1 ZINC001592537756 1173915797 /nfs/dbraw/zinc/91/57/97/1173915797.db2.gz BQWGXUYJIKLULR-SCSAIBSYSA-N -1 1 272.721 1.177 20 0 CDADMM Cn1ncc(CSCc2ccc(-c3nnn[n-]3)o2)n1 ZINC001592601395 1173927303 /nfs/dbraw/zinc/92/73/03/1173927303.db2.gz MRAQNUUIVFWCPU-UHFFFAOYSA-N -1 1 277.313 1.022 20 0 CDADMM Cn1ncc(CSCc2ccc(-c3nn[n-]n3)o2)n1 ZINC001592601395 1173927310 /nfs/dbraw/zinc/92/73/10/1173927310.db2.gz MRAQNUUIVFWCPU-UHFFFAOYSA-N -1 1 277.313 1.022 20 0 CDADMM FC1(F)CCCC[C@H]1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001592627739 1173936340 /nfs/dbraw/zinc/93/63/40/1173936340.db2.gz DPCMBOKPGWEADW-QMMMGPOBSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(F)CCCC[C@H]1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001592627739 1173936349 /nfs/dbraw/zinc/93/63/49/1173936349.db2.gz DPCMBOKPGWEADW-QMMMGPOBSA-N -1 1 295.297 1.894 20 0 CDADMM F[C@H]1CCC[C@@H](Nc2ncncc2-c2nn[n-]n2)C1 ZINC001592631875 1173940869 /nfs/dbraw/zinc/94/08/69/1173940869.db2.gz YXPHFMFAKAFZCE-JGVFFNPUSA-N -1 1 263.280 1.349 20 0 CDADMM FCC[C@@H]1CCCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001592632445 1173943902 /nfs/dbraw/zinc/94/39/02/1173943902.db2.gz WZVBSGSEBFDJBT-VIFPVBQESA-N -1 1 277.307 1.233 20 0 CDADMM O=C(C[C@H]1CCC(F)(F)C1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592817748 1173995174 /nfs/dbraw/zinc/99/51/74/1173995174.db2.gz FACPIOFPZXMJAF-ZCFIWIBFSA-N -1 1 297.269 1.354 20 0 CDADMM O=C(C[C@@H]1CC[C@H]2C[C@H]21)OCc1cccnc1-c1nnn[n-]1 ZINC001592821705 1173996011 /nfs/dbraw/zinc/99/60/11/1173996011.db2.gz YDJOURZIQJVNLQ-JBLDHEPKSA-N -1 1 299.334 1.741 20 0 CDADMM O=C(C[C@@H]1CC[C@H]2C[C@H]21)OCc1cccnc1-c1nn[n-]n1 ZINC001592821705 1173996016 /nfs/dbraw/zinc/99/60/16/1173996016.db2.gz YDJOURZIQJVNLQ-JBLDHEPKSA-N -1 1 299.334 1.741 20 0 CDADMM O=C(N[C@@H]1CCC(F)(F)C1)c1coc(-c2nnn[n-]2)c1 ZINC001592972763 1174010046 /nfs/dbraw/zinc/01/00/46/1174010046.db2.gz OEOIJGVMEPZROO-SSDOTTSWSA-N -1 1 283.238 1.377 20 0 CDADMM O=C(N[C@@H]1CCC(F)(F)C1)c1coc(-c2nn[n-]n2)c1 ZINC001592972763 1174010051 /nfs/dbraw/zinc/01/00/51/1174010051.db2.gz OEOIJGVMEPZROO-SSDOTTSWSA-N -1 1 283.238 1.377 20 0 CDADMM O=C(NC[C@@]12C[C@@H]1CCCC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001593021532 1174013267 /nfs/dbraw/zinc/01/32/67/1174013267.db2.gz IPDIOWCYZYMDPY-XHDPSFHLSA-N -1 1 298.350 1.572 20 0 CDADMM O=C(NC[C@@]12C[C@@H]1CCCC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001593021532 1174013271 /nfs/dbraw/zinc/01/32/71/1174013271.db2.gz IPDIOWCYZYMDPY-XHDPSFHLSA-N -1 1 298.350 1.572 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001593243586 1174036077 /nfs/dbraw/zinc/03/60/77/1174036077.db2.gz NGPKLYZJGUINJR-UHFFFAOYSA-N -1 1 258.285 1.390 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001593243586 1174036083 /nfs/dbraw/zinc/03/60/83/1174036083.db2.gz NGPKLYZJGUINJR-UHFFFAOYSA-N -1 1 258.285 1.390 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC001593243563 1174037929 /nfs/dbraw/zinc/03/79/29/1174037929.db2.gz GUIMXMJCYCWNLL-FXPVBKGRSA-N -1 1 299.338 1.572 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC001593243563 1174037939 /nfs/dbraw/zinc/03/79/39/1174037939.db2.gz GUIMXMJCYCWNLL-FXPVBKGRSA-N -1 1 299.338 1.572 20 0 CDADMM O=c1sc2ccccc2n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001593497472 1174090988 /nfs/dbraw/zinc/09/09/88/1174090988.db2.gz AIIYAEOZGQLKIR-UHFFFAOYSA-N -1 1 299.315 1.884 20 0 CDADMM O=c1sc2ccccc2n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001593497472 1174090997 /nfs/dbraw/zinc/09/09/97/1174090997.db2.gz AIIYAEOZGQLKIR-UHFFFAOYSA-N -1 1 299.315 1.884 20 0 CDADMM OC[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C1CCC1 ZINC001593521753 1174099657 /nfs/dbraw/zinc/09/96/57/1174099657.db2.gz ZRYAJZXYZVXHAP-VIFPVBQESA-N -1 1 294.746 1.488 20 0 CDADMM OC[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C1CCC1 ZINC001593521753 1174099661 /nfs/dbraw/zinc/09/96/61/1174099661.db2.gz ZRYAJZXYZVXHAP-VIFPVBQESA-N -1 1 294.746 1.488 20 0 CDADMM c1cc(-c2nc(C3CCOCC3)no2)cc(-c2nnn[n-]2)n1 ZINC001593544812 1174114206 /nfs/dbraw/zinc/11/42/06/1174114206.db2.gz NVIQHPRIMKGHNP-UHFFFAOYSA-N -1 1 299.294 1.206 20 0 CDADMM c1cc(-c2nc(C3CCOCC3)no2)cc(-c2nn[n-]n2)n1 ZINC001593544812 1174114212 /nfs/dbraw/zinc/11/42/12/1174114212.db2.gz NVIQHPRIMKGHNP-UHFFFAOYSA-N -1 1 299.294 1.206 20 0 CDADMM c1cnn(-c2cccc(Cn3ccnc3-c3nnn[n-]3)c2)c1 ZINC001593557654 1174131641 /nfs/dbraw/zinc/13/16/41/1174131641.db2.gz QIJARWFJGBUARD-UHFFFAOYSA-N -1 1 292.306 1.297 20 0 CDADMM c1cnn(-c2cccc(Cn3ccnc3-c3nn[n-]n3)c2)c1 ZINC001593557654 1174131649 /nfs/dbraw/zinc/13/16/49/1174131649.db2.gz QIJARWFJGBUARD-UHFFFAOYSA-N -1 1 292.306 1.297 20 0 CDADMM c1cn(C2CC2)c(Sc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001593562955 1174137478 /nfs/dbraw/zinc/13/74/78/1174137478.db2.gz UHFIUXAUWYUVOK-UHFFFAOYSA-N -1 1 285.336 1.944 20 0 CDADMM c1cn(C2CC2)c(Sc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001593562955 1174137481 /nfs/dbraw/zinc/13/74/81/1174137481.db2.gz UHFIUXAUWYUVOK-UHFFFAOYSA-N -1 1 285.336 1.944 20 0 CDADMM c1ccc([C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001593572462 1174143716 /nfs/dbraw/zinc/14/37/16/1174143716.db2.gz ACGFKCXFVHKICP-LBPRGKRZSA-N -1 1 293.334 1.651 20 0 CDADMM c1ccc2c(c1)CCN(c1cc(-c3nnn[n-]3)ncn1)C2 ZINC001593580813 1174147448 /nfs/dbraw/zinc/14/74/48/1174147448.db2.gz RDHZXLZLLROSIC-UHFFFAOYSA-N -1 1 279.307 1.219 20 0 CDADMM c1ccc2c(c1)CCN(c1cc(-c3nn[n-]n3)ncn1)C2 ZINC001593580813 1174147452 /nfs/dbraw/zinc/14/74/52/1174147452.db2.gz RDHZXLZLLROSIC-UHFFFAOYSA-N -1 1 279.307 1.219 20 0 CDADMM c1csc(CCCNc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001593589205 1174156140 /nfs/dbraw/zinc/15/61/40/1174156140.db2.gz RJWDTNFAPQHGPT-UHFFFAOYSA-N -1 1 287.352 1.763 20 0 CDADMM c1csc(CCCNc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001593589205 1174156145 /nfs/dbraw/zinc/15/61/45/1174156145.db2.gz RJWDTNFAPQHGPT-UHFFFAOYSA-N -1 1 287.352 1.763 20 0 CDADMM c1coc(C2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC001593589869 1174157338 /nfs/dbraw/zinc/15/73/38/1174157338.db2.gz VHIAKSVQIBEQIB-UHFFFAOYSA-N -1 1 297.322 1.634 20 0 CDADMM c1coc(C2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC001593589869 1174157342 /nfs/dbraw/zinc/15/73/42/1174157342.db2.gz VHIAKSVQIBEQIB-UHFFFAOYSA-N -1 1 297.322 1.634 20 0 CDADMM c1nc(NCC[C@H]2CCCS2)cc(-c2nnn[n-]2)n1 ZINC001593590641 1174157406 /nfs/dbraw/zinc/15/74/06/1174157406.db2.gz AWENYGNXWMRTPU-MRVPVSSYSA-N -1 1 277.357 1.354 20 0 CDADMM c1cc(C2CCN(c3cc(-c4nnn[n-]4)ncn3)CC2)no1 ZINC001593590213 1174158174 /nfs/dbraw/zinc/15/81/74/1174158174.db2.gz KLMAMVXWNHUOSB-UHFFFAOYSA-N -1 1 298.310 1.029 20 0 CDADMM c1cc(C2CCN(c3cc(-c4nn[n-]n4)ncn3)CC2)no1 ZINC001593590213 1174158178 /nfs/dbraw/zinc/15/81/78/1174158178.db2.gz KLMAMVXWNHUOSB-UHFFFAOYSA-N -1 1 298.310 1.029 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NCCC[C@H]1CCCCO1 ZINC001593594492 1174163325 /nfs/dbraw/zinc/16/33/25/1174163325.db2.gz CSDYSZXGQFVEPK-SNVBAGLBSA-N -1 1 289.343 1.418 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NCCC[C@H]1CCCCO1 ZINC001593594492 1174163332 /nfs/dbraw/zinc/16/33/32/1174163332.db2.gz CSDYSZXGQFVEPK-SNVBAGLBSA-N -1 1 289.343 1.418 20 0 CDADMM CC(C)n1cncc1CN(CCC(=O)[O-])C1CC1 ZINC000091273983 1174252984 /nfs/dbraw/zinc/25/29/84/1174252984.db2.gz DZPLUMFDQARMJH-UHFFFAOYSA-N -1 1 251.330 1.903 20 0 CDADMM COC(=O)[C@@]1(OC)CCN(Cc2ccsc2C(=O)[O-])C1 ZINC001598725603 1174319509 /nfs/dbraw/zinc/31/95/09/1174319509.db2.gz HYCJJFIWYOMZBX-CYBMUJFWSA-N -1 1 299.348 1.210 20 0 CDADMM Cc1cc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)on1 ZINC001600101972 1174362867 /nfs/dbraw/zinc/36/28/67/1174362867.db2.gz PBQKSHOEOVHQJR-UHFFFAOYSA-N -1 1 286.247 1.810 20 0 CDADMM Cc1cc(CN(C)CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cs1 ZINC001600189577 1174393447 /nfs/dbraw/zinc/39/34/47/1174393447.db2.gz ANJCZVZOUHIKDF-VXGBXAGGSA-N -1 1 296.392 1.325 20 0 CDADMM Cc1ccc(N2CC[C@H](N[C@H](C(=O)[O-])C3CC3)C2=O)cc1 ZINC001600434601 1174476046 /nfs/dbraw/zinc/47/60/46/1174476046.db2.gz JFVMJDFGZGOATK-KBPBESRZSA-N -1 1 288.347 1.553 20 0 CDADMM Cc1ccc(NC(=O)CN(C)C[C@H](C)C(=O)[O-])c(F)c1 ZINC001600447000 1174478134 /nfs/dbraw/zinc/47/81/34/1174478134.db2.gz GXGLQKRDUBYNAD-JTQLQIEISA-N -1 1 282.315 1.725 20 0 CDADMM Cc1ccc(NC[C@H]2[C@H](C(=O)[O-])C2(F)F)c(N(C)C)n1 ZINC001600460006 1174482987 /nfs/dbraw/zinc/48/29/87/1174482987.db2.gz XXTYPIBYXYAGOE-WCBMZHEXSA-N -1 1 285.294 1.834 20 0 CDADMM Cc1cnc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)c(O)c1 ZINC001600616466 1174532028 /nfs/dbraw/zinc/53/20/28/1174532028.db2.gz VHQWDJWKNXQWTA-UHFFFAOYSA-N -1 1 298.298 1.997 20 0 CDADMM Cc1ncoc1CN1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001600758792 1174598273 /nfs/dbraw/zinc/59/82/73/1174598273.db2.gz YPBBGAHRFZCKBQ-SNVBAGLBSA-N -1 1 291.311 1.110 20 0 CDADMM Cn1cc(Br)c(CN[C@H](C(=O)[O-])C2CC2)n1 ZINC001600926857 1174667121 /nfs/dbraw/zinc/66/71/21/1174667121.db2.gz IPNVBWNNNCRGPU-VIFPVBQESA-N -1 1 288.145 1.135 20 0 CDADMM CN(Cc1cscn1)c1ccnc(-c2nnn[n-]2)c1 ZINC000103621954 1174684396 /nfs/dbraw/zinc/68/43/96/1174684396.db2.gz HHTCMXWLDCWSNQ-UHFFFAOYSA-N -1 1 273.325 1.355 20 0 CDADMM CN(Cc1cscn1)c1ccnc(-c2nn[n-]n2)c1 ZINC000103621954 1174684402 /nfs/dbraw/zinc/68/44/02/1174684402.db2.gz HHTCMXWLDCWSNQ-UHFFFAOYSA-N -1 1 273.325 1.355 20 0 CDADMM O=C([O-])[C@H](CF)NS(=O)(=O)c1c(F)cccc1Cl ZINC001601648283 1174928230 /nfs/dbraw/zinc/92/82/30/1174928230.db2.gz IQHMOXJEGNAVQY-ZETCQYMHSA-N -1 1 299.682 1.180 20 0 CDADMM O=C([O-])C1=NO[C@]2(CCN(C[C@@H](O)c3ccccc3)C2)C1 ZINC001601747052 1174980703 /nfs/dbraw/zinc/98/07/03/1174980703.db2.gz XTFNWKWSXPCJFS-UKRRQHHQSA-N -1 1 290.319 1.025 20 0 CDADMM O=C([O-])[C@@H]1[C@@H](O)CCCN1CCOC1CCCCCC1 ZINC001601754278 1174988120 /nfs/dbraw/zinc/98/81/20/1174988120.db2.gz NGZWBAPYGBZMJY-KBPBESRZSA-N -1 1 285.384 1.636 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1ccc(CF)cc1 ZINC001601771132 1174999498 /nfs/dbraw/zinc/99/94/98/1174999498.db2.gz DEPYNOOCEYCHFO-NEPJUHHUSA-N -1 1 253.273 1.176 20 0 CDADMM O=C([O-])[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC001601826999 1175026906 /nfs/dbraw/zinc/02/69/06/1175026906.db2.gz QFZMWKFPLIFODC-ONGXEEELSA-N -1 1 283.711 1.872 20 0 CDADMM O=C([O-])[C@@H]1CCN(Cc2ncccn2)[C@H]2CCC[C@H]21 ZINC001601828417 1175027236 /nfs/dbraw/zinc/02/72/36/1175027236.db2.gz WSNWERLYYHJHOO-TUAOUCFPSA-N -1 1 261.325 1.552 20 0 CDADMM O=C([O-])C[C@@H](CNc1nc(Cl)nc2[nH]cnc21)C1CC1 ZINC001601896305 1175055851 /nfs/dbraw/zinc/05/58/51/1175055851.db2.gz DWBBVQDXFPSZJK-ZETCQYMHSA-N -1 1 295.730 1.871 20 0 CDADMM O=C([O-])[C@@H]1OCC[C@@H]1NCc1cccc(Cl)n1 ZINC001602202715 1175161683 /nfs/dbraw/zinc/16/16/83/1175161683.db2.gz BOEFNPOMGKXCSE-WCBMZHEXSA-N -1 1 256.689 1.067 20 0 CDADMM O=C([O-])c1ccc(N2CCN(C[C@H]3CCCO3)CC2)s1 ZINC001602372162 1175226406 /nfs/dbraw/zinc/22/64/06/1175226406.db2.gz XXGLVCWKVIDGKX-LLVKDONJSA-N -1 1 296.392 1.747 20 0 CDADMM O=C([O-])c1cccc2c1CC[N@@H+](CC[C@H]1CCOC1=O)C2 ZINC001602457429 1175245942 /nfs/dbraw/zinc/24/59/42/1175245942.db2.gz VULMMKXMCUIEPE-NSHDSACASA-N -1 1 289.331 1.696 20 0 CDADMM O=C([O-])c1ccccc1NC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC001602471047 1175250207 /nfs/dbraw/zinc/25/02/07/1175250207.db2.gz ABRZPDXKDZFCRT-PHIMTYICSA-N -1 1 289.335 1.743 20 0 CDADMM O=C([O-])c1cnc(CN2CCC[C@@H](c3ncc[nH]3)C2)cn1 ZINC001602519703 1175265316 /nfs/dbraw/zinc/26/53/16/1175265316.db2.gz DHFPTWUEONEXBB-SNVBAGLBSA-N -1 1 287.323 1.278 20 0 CDADMM O=C([O-])c1coc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)c1 ZINC001602550649 1175290978 /nfs/dbraw/zinc/29/09/78/1175290978.db2.gz IRJCHKCTIVCGJE-UHFFFAOYSA-N -1 1 299.246 1.410 20 0 CDADMM O=Cc1ccc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)[nH]1 ZINC001602666662 1175345194 /nfs/dbraw/zinc/34/51/94/1175345194.db2.gz FSVSZZWTUZKAHA-UHFFFAOYSA-N -1 1 298.258 1.654 20 0 CDADMM CC(=Cc1ccco1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001602905736 1175447893 /nfs/dbraw/zinc/44/78/93/1175447893.db2.gz ATOOCRHRFAXBEL-ALCCZGGFSA-N -1 1 285.267 1.225 20 0 CDADMM CC(=Cc1ccco1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001602905736 1175447896 /nfs/dbraw/zinc/44/78/96/1175447896.db2.gz ATOOCRHRFAXBEL-ALCCZGGFSA-N -1 1 285.267 1.225 20 0 CDADMM CC(=O)CCCOC(=O)c1sccc1-c1nn[n-]n1 ZINC001602914331 1175450777 /nfs/dbraw/zinc/45/07/77/1175450777.db2.gz ZZENIWAEJBNKSH-UHFFFAOYSA-N -1 1 280.309 1.454 20 0 CDADMM CC(=Cc1ccco1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001602985642 1175471114 /nfs/dbraw/zinc/47/11/14/1175471114.db2.gz HPKXZSMCEJNPPK-LHXVZLOVSA-N -1 1 289.291 1.218 20 0 CDADMM CC(C)CC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001603256480 1175527902 /nfs/dbraw/zinc/52/79/02/1175527902.db2.gz HWLYGGSUJGUKRP-UHFFFAOYSA-N -1 1 291.359 1.803 20 0 CDADMM CC(C)CC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001603256480 1175527909 /nfs/dbraw/zinc/52/79/09/1175527909.db2.gz HWLYGGSUJGUKRP-UHFFFAOYSA-N -1 1 291.359 1.803 20 0 CDADMM CC(C)c1cc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)no1 ZINC001603392708 1175550833 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284.715 1.486 20 0 CDADMM CC(C)(C)CN(CC(=O)[O-])C(=O)c1ccc2[nH]nnc2c1 ZINC000659784469 414110036 /nfs/dbraw/zinc/11/00/36/414110036.db2.gz LJEDLTGDFGZLGX-UHFFFAOYSA-N -1 1 290.323 1.531 20 0 CDADMM CC(C)NC(=O)[C@@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000665670273 414349149 /nfs/dbraw/zinc/34/91/49/414349149.db2.gz CPBNWJLRFCGPDS-MRVPVSSYSA-N -1 1 268.288 1.174 20 0 CDADMM Cn1ccc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1=O ZINC000662224063 414570859 /nfs/dbraw/zinc/57/08/59/414570859.db2.gz RAXXFJBQRDAANR-HNNXBMFYSA-N -1 1 298.342 1.569 20 0 CDADMM COCCOCCNC(=O)c1ccc(Cl)cc1[O-] ZINC000044414053 175172290 /nfs/dbraw/zinc/17/22/90/175172290.db2.gz STDUZBPNNSFNAB-UHFFFAOYSA-N -1 1 273.716 1.438 20 0 CDADMM CCCc1c(C(=O)Nc2nn[n-]n2)[nH]c(C)c1C(C)=O ZINC000072288581 176361181 /nfs/dbraw/zinc/36/11/81/176361181.db2.gz LWUCMBWNFBSMSV-UHFFFAOYSA-N -1 1 276.300 1.244 20 0 CDADMM O=C(CCc1cccc(F)c1F)Nc1nnn[n-]1 ZINC000076964195 177135472 /nfs/dbraw/zinc/13/54/72/177135472.db2.gz UNEOCHGOWOAKNO-UHFFFAOYSA-N -1 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C[C@@H]1CCC[C@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590244986 1173313652 /nfs/dbraw/zinc/31/36/52/1173313652.db2.gz XKFLFNAVLDSGIZ-ZJUUUORDSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1CCC[C@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590244986 1173313658 /nfs/dbraw/zinc/31/36/58/1173313658.db2.gz XKFLFNAVLDSGIZ-ZJUUUORDSA-N -1 1 273.344 1.672 20 0 CDADMM COc1cc(C(=O)[N-]c2nc3c(s2)C(=O)CCC3)on1 ZINC000155739365 277371652 /nfs/dbraw/zinc/37/16/52/277371652.db2.gz LFGKIBWEBJBFCG-UHFFFAOYSA-N -1 1 293.304 1.911 20 0 CDADMM NC(=O)CCCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000089357058 279260428 /nfs/dbraw/zinc/26/04/28/279260428.db2.gz HYYCWVOSTLHROB-UHFFFAOYSA-N -1 1 286.331 1.931 20 0 CDADMM NC(=O)CCN(Cc1ccccc1)C(=O)c1ncccc1[O-] ZINC000122735484 279423260 /nfs/dbraw/zinc/42/32/60/279423260.db2.gz HZULGZINCYTTEA-UHFFFAOYSA-N -1 1 299.330 1.305 20 0 CDADMM O=C(N[C@H]1CCC[C@H]1CO)c1ccc(Cl)cc1[O-] ZINC000229973303 280113660 /nfs/dbraw/zinc/11/36/60/280113660.db2.gz WBPFUDYEPGGVPE-KWQFWETISA-N -1 1 269.728 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CCC[C@H](NC(=O)[C@@H]1CCCSC1)c1nn[n-]n1 ZINC000582999986 325085638 /nfs/dbraw/zinc/08/56/38/325085638.db2.gz GHCTVRWRZABZFO-BDAKNGLRSA-N -1 1 269.374 1.300 20 0 CDADMM Cc1nsc(NCC(C)(C)C[C@@H](C)O)c1-c1nn[n-]n1 ZINC001592486778 1173903069 /nfs/dbraw/zinc/90/30/69/1173903069.db2.gz SBZBCXYBRUQKTF-SSDOTTSWSA-N -1 1 296.400 1.841 20 0 CDADMM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000584272805 327206057 /nfs/dbraw/zinc/20/60/57/327206057.db2.gz PVEISFAWGHGEIL-RHYQMDGZSA-N -1 1 275.356 1.342 20 0 CDADMM CC(C)[C@H]1CCCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC001603754274 1175617601 /nfs/dbraw/zinc/61/76/01/1175617601.db2.gz YAWKSRYDJYWOHP-RYUDHWBXSA-N -1 1 268.357 1.245 20 0 CDADMM CC(C)n1ncnc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC001352146470 1159428236 /nfs/dbraw/zinc/42/82/36/1159428236.db2.gz FOOWOOVHRNPWHR-ZCFIWIBFSA-N -1 1 291.233 1.236 20 0 CDADMM CCC[C@@H](N[C@H](C)C(=O)NC(CC)CC)C(=O)[O-] ZINC000036840063 1159470740 /nfs/dbraw/zinc/47/07/40/1159470740.db2.gz CVWLTYCFNJFXTR-MWLCHTKSSA-N -1 1 258.362 1.523 20 0 CDADMM Cc1nc(CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)cs1 ZINC000304439650 1159907700 /nfs/dbraw/zinc/90/77/00/1159907700.db2.gz VDQUZTPMJPKYDO-LDYMZIIASA-N -1 1 254.355 1.994 20 0 CDADMM CCC[C@H](NC(=O)C1=C(C)OCCS1)c1nn[n-]n1 ZINC001362388352 1160043184 /nfs/dbraw/zinc/04/31/84/1160043184.db2.gz ZHLHOIHOLUSCGO-QMMMGPOBSA-N -1 1 283.357 1.152 20 0 CDADMM CO[C@@H](C)CS(=O)(=O)[N-]c1cnn(CC2CC2)c1 ZINC000193332119 482316051 /nfs/dbraw/zinc/31/60/51/482316051.db2.gz RZGRBCYVNWSMPM-VIFPVBQESA-N -1 1 273.358 1.070 20 0 CDADMM COc1ncccc1CNC(=O)c1cncc([O-])c1 ZINC000104425564 482371696 /nfs/dbraw/zinc/37/16/96/482371696.db2.gz BSQNFDHTBDMTRQ-UHFFFAOYSA-N -1 1 259.265 1.121 20 0 CDADMM CC1(C)C[C@@]1(C(=O)Nc1nnn[n-]1)c1ccccc1 ZINC000668867576 482415612 /nfs/dbraw/zinc/41/56/12/482415612.db2.gz RUTDJZULJLRMHT-ZDUSSCGKSA-N -1 1 257.297 1.506 20 0 CDADMM CC1(C)C[C@@]1(C(=O)Nc1nn[n-]n1)c1ccccc1 ZINC000668867576 482415614 /nfs/dbraw/zinc/41/56/14/482415614.db2.gz RUTDJZULJLRMHT-ZDUSSCGKSA-N -1 1 257.297 1.506 20 0 CDADMM Cc1[nH]nc(C(=O)N2CCN(CCC(C)(C)C)CC2)c1[O-] ZINC000676631889 482425100 /nfs/dbraw/zinc/42/51/00/482425100.db2.gz JGOVEVGUOPEKMT-UHFFFAOYSA-N -1 1 294.399 1.618 20 0 CDADMM O=S(=O)([N-][C@H]1CCCC1(F)F)c1ccccn1 ZINC000672431027 482587879 /nfs/dbraw/zinc/58/78/79/482587879.db2.gz QHILGDCWYNYLNX-QMMMGPOBSA-N -1 1 262.281 1.548 20 0 CDADMM O=C(Nc1ccc2nccn2c1)C(=O)c1ccc([O-])cc1 ZINC000672888533 482631040 /nfs/dbraw/zinc/63/10/40/482631040.db2.gz ILDVQRJQOSAXOP-UHFFFAOYSA-N -1 1 281.271 1.861 20 0 CDADMM CC(C)[C@](C)(O)CNC(=O)c1ccc([O-])c(F)c1 ZINC000681051844 482672625 /nfs/dbraw/zinc/67/26/25/482672625.db2.gz IIXBZQPUZUGIJT-CYBMUJFWSA-N -1 1 255.289 1.668 20 0 CDADMM C[C@@H](CN(C)C(=O)[C@@H]1Cc2ccc(F)cc21)c1nn[n-]n1 ZINC000684476993 482837289 /nfs/dbraw/zinc/83/72/89/482837289.db2.gz PVDPJXKOPDSYIW-QPUJVOFHSA-N -1 1 289.314 1.241 20 0 CDADMM CC(C)CN1CCN(C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000166766377 482842952 /nfs/dbraw/zinc/84/29/52/482842952.db2.gz SOMZMLWSJYKOQH-UHFFFAOYSA-N -1 1 297.399 1.225 20 0 CDADMM CC(C)(O)C(C)(C)NC(=O)c1ccc([O-])cc1F ZINC000228848939 482920838 /nfs/dbraw/zinc/92/08/38/482920838.db2.gz MYXUHOQHOBERBX-UHFFFAOYSA-N -1 1 255.289 1.811 20 0 CDADMM O=C(NCc1noc(C(F)(F)F)n1)c1ncccc1[O-] ZINC000684844055 482994282 /nfs/dbraw/zinc/99/42/82/482994282.db2.gz JYGUTEDCEDVWBW-UHFFFAOYSA-N -1 1 288.185 1.119 20 0 CDADMM Cc1nc(C)c(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)o1 ZINC000674324555 483006929 /nfs/dbraw/zinc/00/69/29/483006929.db2.gz OYSXOYVLQIBMRY-NSHDSACASA-N -1 1 298.306 1.324 20 0 CDADMM CCc1nnc([N-]C(=O)c2conc2CC)s1 ZINC000666967030 483026210 /nfs/dbraw/zinc/02/62/10/483026210.db2.gz WXZFGHDTLXYKEX-UHFFFAOYSA-N -1 1 252.299 1.903 20 0 CDADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1nccs1 ZINC000683541605 483080346 /nfs/dbraw/zinc/08/03/46/483080346.db2.gz KPNOIAPQCMCLNF-VIFPVBQESA-N -1 1 286.320 1.176 20 0 CDADMM C[C@@H](C(=O)[O-])N(C(=O)[C@@H]1CCCc2[nH]ncc21)C1CC1 ZINC000669438461 483134758 /nfs/dbraw/zinc/13/47/58/483134758.db2.gz KJYKKTIVIJXLPP-WCBMZHEXSA-N -1 1 277.324 1.294 20 0 CDADMM O=c1nc(CN2CCCCC[C@H]2CO)[n-]c2ccsc21 ZINC000157014075 483212674 /nfs/dbraw/zinc/21/26/74/483212674.db2.gz OAIXFFVVBSVQFT-JTQLQIEISA-N -1 1 293.392 1.722 20 0 CDADMM O=C([O-])c1cccc(CNC(=O)[C@@H]2CCCc3[nH]ncc32)c1 ZINC000678931856 483222880 /nfs/dbraw/zinc/22/28/80/483222880.db2.gz JOHODKROAWTGPP-GFCCVEGCSA-N -1 1 299.330 1.844 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2cc([C@@H]3C[C@@H]3C)[nH]n2)c1[O-] ZINC000676696476 483564069 /nfs/dbraw/zinc/56/40/69/483564069.db2.gz QLOOHYMKBWXORO-CAHLUQPWSA-N -1 1 261.285 1.523 20 0 CDADMM C[C@]1(CO)CCN(Cc2cc(Cl)ncc2[O-])C[C@H]1O ZINC001233032687 1161061188 /nfs/dbraw/zinc/06/11/88/1161061188.db2.gz PNOXARHTGVIZGY-DGCLKSJQSA-N -1 1 286.759 1.006 20 0 CDADMM C[C@@H](C[S@@](C)=O)NC(=O)c1c([O-])cccc1Cl ZINC000753155955 577149773 /nfs/dbraw/zinc/14/97/73/577149773.db2.gz SRJMQOZMQANMGL-BWKAKNAASA-N -1 1 275.757 1.542 20 0 CDADMM NC(=O)[C@@H]1CCC[C@H](C(=O)Nc2nc(Cl)ccc2[O-])C1 ZINC000790047212 1162124889 /nfs/dbraw/zinc/12/48/89/1162124889.db2.gz HKLFNSDTRKHPQO-SFYZADRCSA-N -1 1 297.742 1.671 20 0 CDADMM Cn1[n-]cc2c(=NC(=O)c3ccnc(Cl)c3)ccnc1-2 ZINC000791161505 1162196430 /nfs/dbraw/zinc/19/64/30/1162196430.db2.gz MTOBFLHGCOQIKF-UHFFFAOYSA-N -1 1 287.710 1.643 20 0 CDADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccnc2C)co1 ZINC000339379548 522270905 /nfs/dbraw/zinc/27/09/05/522270905.db2.gz MWFMHJFBOMAJRM-UHFFFAOYSA-N -1 1 295.320 1.143 20 0 CDADMM CCn1c(C2CCN(C(=O)COC)CC2)n[n-]c1=S ZINC000068452630 523170518 /nfs/dbraw/zinc/17/05/18/523170518.db2.gz CXQHNYUZZREACF-UHFFFAOYSA-N -1 1 284.385 1.313 20 0 CDADMM CO[C@@H](C(=O)Nc1ccc(F)cc1[O-])c1cnn(C)c1 ZINC000336963634 523333378 /nfs/dbraw/zinc/33/33/78/523333378.db2.gz GSPSZRVSYVLTSC-GFCCVEGCSA-N -1 1 279.271 1.591 20 0 CDADMM COC(=O)[C@@H](C)CN(C(=O)c1cncc([O-])c1)C1CC1 ZINC000339931529 523495319 /nfs/dbraw/zinc/49/53/19/523495319.db2.gz KMILSBVHDIFBRE-VIFPVBQESA-N -1 1 278.308 1.201 20 0 CDADMM C[C@H](CN(C)C(=O)[C@H]1CCCC(C)(C)C1)c1nn[n-]n1 ZINC000187276030 524287503 /nfs/dbraw/zinc/28/75/03/524287503.db2.gz AHCXWLMBBNZLFE-MNOVXSKESA-N -1 1 279.388 1.978 20 0 CDADMM Cc1cc(C[N@H+](C)C[C@@H](C)C(=O)[O-])ccc1C(=O)[O-] ZINC001600190471 1174394487 /nfs/dbraw/zinc/39/44/87/1174394487.db2.gz QPHGESWNKJCHJT-SNVBAGLBSA-N -1 1 265.309 1.846 20 0 CDADMM Cc1cc(CN2CCC3(COC(=O)N3)CC2)[nH]c1C(=O)[O-] ZINC001600193476 1174399763 /nfs/dbraw/zinc/39/97/63/1174399763.db2.gz QQPWWAPHLCDJKP-UHFFFAOYSA-N -1 1 293.323 1.096 20 0 CDADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H](O)C1 ZINC000061712644 526639750 /nfs/dbraw/zinc/63/97/50/526639750.db2.gz RGZNVOVUZNNCGQ-GFCCVEGCSA-N -1 1 257.289 1.752 20 0 CDADMM O=C(NCCCNC(=O)C1CCC1)c1c([O-])cccc1F ZINC000187698833 527674810 /nfs/dbraw/zinc/67/48/10/527674810.db2.gz AHUYIFKEQCXOCW-UHFFFAOYSA-N -1 1 294.326 1.568 20 0 CDADMM CC(C)(NC(=O)CC1CCCCCC1)c1nn[n-]n1 ZINC000426922200 535214322 /nfs/dbraw/zinc/21/43/22/535214322.db2.gz ZASKBIOWQJYRIJ-UHFFFAOYSA-N -1 1 265.361 1.912 20 0 CDADMM O=C(c1cc(F)ccc1[O-])N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000123800227 538412724 /nfs/dbraw/zinc/41/27/24/538412724.db2.gz XDHSQAXDQVXUIP-KDDOJWQBSA-N -1 1 265.284 1.374 20 0 CDADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC(C)(C)CO ZINC000127592179 538635539 /nfs/dbraw/zinc/63/55/39/538635539.db2.gz FJQAMFGHUFHQDO-UHFFFAOYSA-N -1 1 295.383 1.124 20 0 CDADMM Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)[O-])cc1C(=O)[O-] ZINC001600412859 1174468209 /nfs/dbraw/zinc/46/82/09/1174468209.db2.gz ASHWWKQDPJNTMK-LBPRGKRZSA-N -1 1 263.293 1.742 20 0 CDADMM Cc1ccccc1[C@H](O)CNCc1cc(C(=O)[O-])no1 ZINC001600572923 1174510451 /nfs/dbraw/zinc/51/04/51/1174510451.db2.gz GMYAIDOIOUXVHT-CYBMUJFWSA-N -1 1 276.292 1.504 20 0 CDADMM Cc1[nH]ncc1CNC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001600675179 1174558620 /nfs/dbraw/zinc/55/86/20/1174558620.db2.gz XJRRPYPFVHOMMU-UHFFFAOYSA-N -1 1 293.710 2.000 20 0 CDADMM Cc1occc1C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001600860233 1174646015 /nfs/dbraw/zinc/64/60/15/1174646015.db2.gz BVIRNBKMGVEJGI-SNVBAGLBSA-N -1 1 280.324 1.209 20 0 CDADMM Cn1cc(CN2CC3(CC(F)C3)C2)cc1C(=O)[O-] ZINC001600951249 1174674957 /nfs/dbraw/zinc/67/49/57/1174674957.db2.gz CJFZVJPUPNOKKT-UHFFFAOYSA-N -1 1 252.289 1.657 20 0 CDADMM C[C@H](NCC(=O)Nc1cccc2cccnc21)C(=O)[O-] ZINC000739032767 574438700 /nfs/dbraw/zinc/43/87/00/574438700.db2.gz PCEQPGCYUYPFBU-VIFPVBQESA-N -1 1 273.292 1.236 20 0 CDADMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc(F)c(F)c1 ZINC000730099282 574849834 /nfs/dbraw/zinc/84/98/34/574849834.db2.gz LBKYNHPPURHQMW-UHFFFAOYSA-N -1 1 274.248 1.764 20 0 CDADMM O=C([O-])[C@H](CF)NCc1cccc2[nH]c(=O)oc21 ZINC001601652450 1174931565 /nfs/dbraw/zinc/93/15/65/1174931565.db2.gz YVEJHPGCZHOTOL-QMMMGPOBSA-N -1 1 254.217 1.046 20 0 CDADMM COCCCOC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000733453284 575125336 /nfs/dbraw/zinc/12/53/36/575125336.db2.gz WSONNLHRKCVRGP-UHFFFAOYSA-N -1 1 293.366 1.313 20 0 CDADMM C[C@H](C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cn1)C(=O)[O-] ZINC000736576361 575695174 /nfs/dbraw/zinc/69/51/74/575695174.db2.gz YOMHRQTUBVOLOA-BDAKNGLRSA-N -1 1 299.758 1.715 20 0 CDADMM C[C@H](CN(C)[C@@H](C)C(=O)Nc1ccc(Cl)cn1)C(=O)[O-] ZINC000736576361 575695177 /nfs/dbraw/zinc/69/51/77/575695177.db2.gz YOMHRQTUBVOLOA-BDAKNGLRSA-N -1 1 299.758 1.715 20 0 CDADMM CC(C)[C@@H]1CC(=O)N(CN(C[C@H](C)C(=O)[O-])C2CC2)C1 ZINC000736580118 575695762 /nfs/dbraw/zinc/69/57/62/575695762.db2.gz YIORNIVHICFQCB-NWDGAFQWSA-N -1 1 282.384 1.634 20 0 CDADMM O=C([O-])c1ccoc1CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000740249483 576450329 /nfs/dbraw/zinc/45/03/29/576450329.db2.gz WRCJJZFJTLGQHJ-STQMWFEESA-N -1 1 294.351 1.009 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](O)C[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC001601766565 1174994606 /nfs/dbraw/zinc/99/46/06/1174994606.db2.gz AMAWAZPVJUGZJX-VHSXEESVSA-N -1 1 282.365 1.288 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](O)CN(Cc2cnc(C3CC3)s2)C1 ZINC001601766565 1174994613 /nfs/dbraw/zinc/99/46/13/1174994613.db2.gz AMAWAZPVJUGZJX-VHSXEESVSA-N -1 1 282.365 1.288 20 0 CDADMM COCCOCCCNC(=O)c1c([O-])cccc1Cl ZINC000769624483 575365723 /nfs/dbraw/zinc/36/57/23/575365723.db2.gz DDFZHOLSOOQTBA-UHFFFAOYSA-N -1 1 287.743 1.829 20 0 CDADMM O=C([O-])[C@H]1CCN(Cc2nc3cc(F)ccc3o2)C1 ZINC000769750606 575380100 /nfs/dbraw/zinc/38/01/00/575380100.db2.gz CFUIMGKZYSZSNT-QMMMGPOBSA-N -1 1 264.256 1.873 20 0 CDADMM CC(C)(C)[C@H](O)CNc1cccc(-c2nnn[n-]2)n1 ZINC000735596638 575489174 /nfs/dbraw/zinc/48/91/74/575489174.db2.gz LGVWUBJJBMAEOT-SECBINFHSA-N -1 1 262.317 1.081 20 0 CDADMM CC(C)(C)[C@H](O)CNc1cccc(-c2nn[n-]n2)n1 ZINC000735596638 575489177 /nfs/dbraw/zinc/48/91/77/575489177.db2.gz LGVWUBJJBMAEOT-SECBINFHSA-N -1 1 262.317 1.081 20 0 CDADMM C[C@@H](Nc1c2ccccc2nnc1-c1nnn[n-]1)[C@H](C)CO ZINC000736038232 575553248 /nfs/dbraw/zinc/55/32/48/575553248.db2.gz SOUKTOHCMDPJEA-RKDXNWHRSA-N -1 1 299.338 1.239 20 0 CDADMM C[C@@H](Nc1c2ccccc2nnc1-c1nn[n-]n1)[C@H](C)CO ZINC000736038232 575553250 /nfs/dbraw/zinc/55/32/50/575553250.db2.gz SOUKTOHCMDPJEA-RKDXNWHRSA-N -1 1 299.338 1.239 20 0 CDADMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)CCO1 ZINC000736288539 575611438 /nfs/dbraw/zinc/61/14/38/575611438.db2.gz IVNHSDHMQASKCX-SNVBAGLBSA-N -1 1 296.334 1.640 20 0 CDADMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)CCO1 ZINC000736288539 575611441 /nfs/dbraw/zinc/61/14/41/575611441.db2.gz IVNHSDHMQASKCX-SNVBAGLBSA-N -1 1 296.334 1.640 20 0 CDADMM CCC[C@H](NC(=O)c1nc(C)n2ccccc12)c1nn[n-]n1 ZINC000736435807 575660778 /nfs/dbraw/zinc/66/07/78/575660778.db2.gz OGCKWIIHVFOZBK-JTQLQIEISA-N -1 1 299.338 1.427 20 0 CDADMM CCCC[C@H](CC)CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000736438093 575661481 /nfs/dbraw/zinc/66/14/81/575661481.db2.gz LKPCOQRKKCOBCR-VIFPVBQESA-N -1 1 291.359 1.892 20 0 CDADMM CC(C)Cc1ccc(CN2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000736454746 575666172 /nfs/dbraw/zinc/66/61/72/575666172.db2.gz USRKUKMDRWCBAO-CABCVRRESA-N -1 1 277.364 1.905 20 0 CDADMM C[C@@H](CN(C)Cc1nc2ccccc2c(=O)n1C)C(=O)[O-] ZINC000736576965 575694924 /nfs/dbraw/zinc/69/49/24/575694924.db2.gz UPPVYXISMJZRNB-JTQLQIEISA-N -1 1 289.335 1.086 20 0 CDADMM O=C(NC[C@H](O)C1CCOCC1)c1c([O-])cccc1Cl ZINC000736726137 575729916 /nfs/dbraw/zinc/72/99/16/575729916.db2.gz HDSVOECLFUZHAN-LBPRGKRZSA-N -1 1 299.754 1.563 20 0 CDADMM C[C@@H]1CCCC[C@@H]1OCCN1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000736785153 575743742 /nfs/dbraw/zinc/74/37/42/575743742.db2.gz NMXKDXNEKSDQLN-NDBYEHHHSA-N -1 1 271.357 1.102 20 0 CDADMM CC[C@H](C(=O)Nc1nc(CC(=O)[O-])cs1)N(CC)CC ZINC000736848647 575763672 /nfs/dbraw/zinc/76/36/72/575763672.db2.gz NZLPQTFRUJBGMT-SNVBAGLBSA-N -1 1 299.396 1.829 20 0 CDADMM CCCC[C@H](C(=O)[O-])N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000736977438 575781352 /nfs/dbraw/zinc/78/13/52/575781352.db2.gz BGGNMDJEYWGHAF-GHMZBOCLSA-N -1 1 282.344 1.130 20 0 CDADMM CCCCC(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773149547 575786034 /nfs/dbraw/zinc/78/60/34/575786034.db2.gz GCGZYCRICIEXLK-MRVPVSSYSA-N -1 1 255.347 1.006 20 0 CDADMM O=C(CCC1CCCC1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773155977 575786318 /nfs/dbraw/zinc/78/63/18/575786318.db2.gz WUWGXOHEGGLXBC-LLVKDONJSA-N -1 1 295.412 1.787 20 0 CDADMM Cc1occc1C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773157923 575786630 /nfs/dbraw/zinc/78/66/30/575786630.db2.gz MWXFPMQDEDHSFT-VIFPVBQESA-N -1 1 279.325 1.031 20 0 CDADMM C[C@@H]1CCC[C@@H](C(=O)N2CCSC[C@H]2c2nn[n-]n2)C1 ZINC000773165435 575787704 /nfs/dbraw/zinc/78/77/04/575787704.db2.gz XRSUDNNQYJKHLH-MXWKQRLJSA-N -1 1 295.412 1.643 20 0 CDADMM O=C([O-])CCCCNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000773231352 575793516 /nfs/dbraw/zinc/79/35/16/575793516.db2.gz AUXCDYOCQUKVBP-SECBINFHSA-N -1 1 265.313 1.201 20 0 CDADMM CCOC(=O)NCCC(=O)[N-]Oc1ccccc1 ZINC000773470103 575813151 /nfs/dbraw/zinc/81/31/51/575813151.db2.gz YLXFGEWGEGBEPP-UHFFFAOYSA-N -1 1 252.270 1.233 20 0 CDADMM O=C(COC(=O)c1ccc([O-])cc1F)NCc1ccco1 ZINC000773569219 575826565 /nfs/dbraw/zinc/82/65/65/575826565.db2.gz KEZZRFAIYVDJJN-UHFFFAOYSA-N -1 1 293.250 1.598 20 0 CDADMM CN(C)[C@H](CNC(=O)C(C)(C)NC(=O)[O-])c1cccs1 ZINC000737361297 575947170 /nfs/dbraw/zinc/94/71/70/575947170.db2.gz MMIRICIOJYGUFJ-SECBINFHSA-N -1 1 299.396 1.513 20 0 CDADMM CN(Cc1ccc(Br)o1)C[C@@](C)(O)C(=O)[O-] ZINC000737452205 575967407 /nfs/dbraw/zinc/96/74/07/575967407.db2.gz ZEQIGPPLHFLJND-SNVBAGLBSA-N -1 1 292.129 1.310 20 0 CDADMM Cc1ccccc1[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC000737421303 575960525 /nfs/dbraw/zinc/96/05/25/575960525.db2.gz LZVKINULSSOJQJ-LLVKDONJSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1ccccc1[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC000737421303 575960527 /nfs/dbraw/zinc/96/05/27/575960527.db2.gz LZVKINULSSOJQJ-LLVKDONJSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1nc(C)c(CNc2n[nH]cc2-c2nnn[n-]2)s1 ZINC000737474802 575972786 /nfs/dbraw/zinc/97/27/86/575972786.db2.gz VAZFVRXPBGIKJU-UHFFFAOYSA-N -1 1 276.329 1.275 20 0 CDADMM Cc1nc(C)c(CNc2n[nH]cc2-c2nn[n-]n2)s1 ZINC000737474802 575972789 /nfs/dbraw/zinc/97/27/89/575972789.db2.gz VAZFVRXPBGIKJU-UHFFFAOYSA-N -1 1 276.329 1.275 20 0 CDADMM C/C(=C\C(=O)N1CCC[C@@H](c2nn[n-]n2)C1)C(C)(C)C ZINC000765108058 575987406 /nfs/dbraw/zinc/98/74/06/575987406.db2.gz DACHBSVLWSFPRU-RJCSOLBVSA-N -1 1 277.372 1.898 20 0 CDADMM FC(F)(F)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC000737626025 576004451 /nfs/dbraw/zinc/00/44/51/576004451.db2.gz FFCWCCCVYHKMIH-ZETCQYMHSA-N -1 1 299.260 1.435 20 0 CDADMM FC(F)(F)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC000737626025 576004452 /nfs/dbraw/zinc/00/44/52/576004452.db2.gz FFCWCCCVYHKMIH-ZETCQYMHSA-N -1 1 299.260 1.435 20 0 CDADMM O=C(C[C@H]1CCc2ccccc21)OCc1nn[n-]n1 ZINC000737820235 576014686 /nfs/dbraw/zinc/01/46/86/576014686.db2.gz PYUACEQUSJLNJF-SNVBAGLBSA-N -1 1 258.281 1.363 20 0 CDADMM Cc1ccc(CC(=O)OCc2nc(=O)n(C)[n-]2)cc1C ZINC000765396695 576016099 /nfs/dbraw/zinc/01/60/99/576016099.db2.gz UJGRKCSSIAKVQX-UHFFFAOYSA-N -1 1 275.308 1.011 20 0 CDADMM Cn1[n-]c(COC(=O)c2cc3ccccc3s2)nc1=O ZINC000765420745 576019782 /nfs/dbraw/zinc/01/97/82/576019782.db2.gz WKKPNYWKFFHLLM-UHFFFAOYSA-N -1 1 289.316 1.680 20 0 CDADMM COc1ccccc1[C@H](C)NC(=O)CNC(C)(C)C(=O)[O-] ZINC000738121149 576040261 /nfs/dbraw/zinc/04/02/61/576040261.db2.gz QDBNYOOYWGTSNI-JTQLQIEISA-N -1 1 294.351 1.325 20 0 CDADMM O=C([O-])CC1CCN(CC[S@](=O)c2ccccc2)CC1 ZINC000738564339 576089106 /nfs/dbraw/zinc/08/91/06/576089106.db2.gz RTZGJUBZVKDNPL-FQEVSTJZSA-N -1 1 295.404 1.981 20 0 CDADMM CC(C)(C)N1C[C@H](C(=O)[N-]OCC(F)(F)F)CC1=O ZINC000766763604 576133156 /nfs/dbraw/zinc/13/31/56/576133156.db2.gz UITAUWXKGOELIR-SSDOTTSWSA-N -1 1 282.262 1.244 20 0 CDADMM Cc1oc(CN(C)C(=O)[C@@H]2CCCCN2C)cc1C(=O)[O-] ZINC000738970246 576143616 /nfs/dbraw/zinc/14/36/16/576143616.db2.gz SUVCYSFHBVTXPF-ZDUSSCGKSA-N -1 1 294.351 1.729 20 0 CDADMM O=C(N[C@@H](CCO)C1CC1)c1ccc([O-])c(F)c1 ZINC000768274571 576267644 /nfs/dbraw/zinc/26/76/44/576267644.db2.gz AOPZTZHFBZFASE-NSHDSACASA-N -1 1 253.273 1.422 20 0 CDADMM C[C@@H]1COCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000768320743 576271831 /nfs/dbraw/zinc/27/18/31/576271831.db2.gz OMIZBWYJLQHNKR-VIFPVBQESA-N -1 1 253.273 1.640 20 0 CDADMM O=C([N-]CCCOC[C@H]1CCOC1)C(F)(F)F ZINC000740843961 576517779 /nfs/dbraw/zinc/51/77/79/576517779.db2.gz MFGCGEOXAAVEDC-MRVPVSSYSA-N -1 1 255.236 1.108 20 0 CDADMM CC1(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)CC1 ZINC000761435573 576576114 /nfs/dbraw/zinc/57/61/14/576576114.db2.gz SAJGGSSLGHNJSO-UHFFFAOYSA-N -1 1 261.277 1.286 20 0 CDADMM CCC(CC)[C@H](C)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000761690998 576588651 /nfs/dbraw/zinc/58/86/51/576588651.db2.gz GUYAGXKPUWGVES-ONGXEEELSA-N -1 1 281.360 1.172 20 0 CDADMM C[C@H](CNC(=O)c1c([O-])cccc1Cl)S(C)(=O)=O ZINC000754507147 576899055 /nfs/dbraw/zinc/89/90/55/576899055.db2.gz IEPOBHKUSULXAE-SSDOTTSWSA-N -1 1 291.756 1.209 20 0 CDADMM Cc1[nH]ccc1C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000750238919 576982171 /nfs/dbraw/zinc/98/21/71/576982171.db2.gz UAFDOBMJIQLTBY-LBPRGKRZSA-N -1 1 282.307 1.356 20 0 CDADMM C[C@@H](C(=O)[N-]OCC(F)(F)F)N1CCSCC1 ZINC000750913187 577015482 /nfs/dbraw/zinc/01/54/82/577015482.db2.gz BOPJPKPLMBROMX-ZETCQYMHSA-N -1 1 272.292 1.034 20 0 CDADMM O=C(NCc1ccno1)c1c([O-])cccc1Cl ZINC000758539761 577114979 /nfs/dbraw/zinc/11/49/79/577114979.db2.gz PTODTLSEXYMYSZ-UHFFFAOYSA-N -1 1 252.657 1.964 20 0 CDADMM O=C([O-])CC1(CN2CCOC[C@H]2[C@@H]2CCCC2=O)CC1 ZINC001601916057 1175065174 /nfs/dbraw/zinc/06/51/74/1175065174.db2.gz ZJQITFOJYOTSIQ-RYUDHWBXSA-N -1 1 281.352 1.311 20 0 CDADMM O=C([O-])CCCC(=O)Nc1cnn(-c2ccncc2)c1 ZINC001601978453 1175094532 /nfs/dbraw/zinc/09/45/32/1175094532.db2.gz BJENXDGKERPQBE-UHFFFAOYSA-N -1 1 274.280 1.461 20 0 CDADMM O=C([O-])CCCONC(=O)[C@@H]1COc2ccccc2C1 ZINC001601995651 1175105466 /nfs/dbraw/zinc/10/54/66/1175105466.db2.gz SEKKYEPTOCMBCC-NSHDSACASA-N -1 1 279.292 1.150 20 0 CDADMM CN(Cc1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC000095294779 599392308 /nfs/dbraw/zinc/39/23/08/599392308.db2.gz UMNOYHHERRVLIT-UHFFFAOYSA-N -1 1 266.308 1.898 20 0 CDADMM O=C([O-])CC[N@H+](CC(=O)[O-])CC1Cc2ccccc2C1 ZINC001602004645 1175108299 /nfs/dbraw/zinc/10/82/99/1175108299.db2.gz JVDJDUNFVYKCFY-UHFFFAOYSA-N -1 1 277.320 1.263 20 0 CDADMM CC(C)N(CCO)CC(=O)Nc1ccsc1C(=O)[O-] ZINC000826951527 601338408 /nfs/dbraw/zinc/33/84/08/601338408.db2.gz LUJZEIQFPTUEFJ-UHFFFAOYSA-N -1 1 286.353 1.088 20 0 CDADMM CN1c2ccccc2C(=O)N[C@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821630324 599116192 /nfs/dbraw/zinc/11/61/92/599116192.db2.gz ULXPMHQZCNFRMV-CYBMUJFWSA-N -1 1 296.290 1.338 20 0 CDADMM CN1c2ccccc2C(=O)N[C@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821630324 599116195 /nfs/dbraw/zinc/11/61/95/599116195.db2.gz ULXPMHQZCNFRMV-CYBMUJFWSA-N -1 1 296.290 1.338 20 0 CDADMM O=C([O-])c1ccc(CN[C@H]2C[C@H](O)c3ccccc32)[nH]1 ZINC001602346432 1175218895 /nfs/dbraw/zinc/21/88/95/1175218895.db2.gz XSIAEQLKXODTOD-KBPBESRZSA-N -1 1 272.304 1.981 20 0 CDADMM Cc1nc(CN2CCC[C@@H](CC(=O)[O-])C2)oc1C ZINC000054300564 597088176 /nfs/dbraw/zinc/08/81/76/597088176.db2.gz YIQNODCVRIBHMY-NSHDSACASA-N -1 1 252.314 1.978 20 0 CDADMM C[C@H](N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O)C(=O)[O-] ZINC000818046196 597207150 /nfs/dbraw/zinc/20/71/50/597207150.db2.gz KXIMEJLEQHEXJJ-JFGNBEQYSA-N -1 1 262.309 1.243 20 0 CDADMM Cc1cc(C)cc(-n2ncc(CN[C@@H](C)C(=O)[O-])n2)c1 ZINC000789898953 597700362 /nfs/dbraw/zinc/70/03/62/597700362.db2.gz QHQDZJKZYJDCKA-NSHDSACASA-N -1 1 274.324 1.447 20 0 CDADMM Cn1cnc(S(=O)(=O)[N-]C[C@H]2CCCS2)c1Cl ZINC000122152960 1175239371 /nfs/dbraw/zinc/23/93/71/1175239371.db2.gz VFJILVFMXVQUGP-SSDOTTSWSA-N -1 1 295.817 1.247 20 0 CDADMM Cc1cc(O)c(C(=O)OCCCCC(=O)[O-])cn1 ZINC000820949268 597845849 /nfs/dbraw/zinc/84/58/49/597845849.db2.gz KHAOFZKBCICSMP-UHFFFAOYSA-N -1 1 253.254 1.095 20 0 CDADMM O=C(OCCc1cn[nH]c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823409358 607322931 /nfs/dbraw/zinc/32/29/31/607322931.db2.gz FNGGCXKDRQKTJF-UHFFFAOYSA-N -1 1 290.308 1.051 20 0 CDADMM O=C(OCCc1cn[nH]c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823409358 607322932 /nfs/dbraw/zinc/32/29/32/607322932.db2.gz FNGGCXKDRQKTJF-UHFFFAOYSA-N -1 1 290.308 1.051 20 0 CDADMM Cc1cccc(CCNc2nccnc2-c2nnn[n-]2)c1 ZINC000095325378 598351338 /nfs/dbraw/zinc/35/13/38/598351338.db2.gz JKVPJJWPGKDNLA-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1cccc(CCNc2nccnc2-c2nn[n-]n2)c1 ZINC000095325378 598351339 /nfs/dbraw/zinc/35/13/39/598351339.db2.gz JKVPJJWPGKDNLA-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1ccccc1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC000095326277 598384342 /nfs/dbraw/zinc/38/43/42/598384342.db2.gz SNPHBYGNLMBSOT-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1ccccc1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC000095326277 598384344 /nfs/dbraw/zinc/38/43/44/598384344.db2.gz SNPHBYGNLMBSOT-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM O=C([O-])c1cnc([C@H]2CCCN(Cc3cn[nH]c3)C2)s1 ZINC001602510875 1175264135 /nfs/dbraw/zinc/26/41/35/1175264135.db2.gz JEIACTLAWJJFAW-JTQLQIEISA-N -1 1 292.364 1.944 20 0 CDADMM CC(C)(C)C1=NC(=Cc2ccc(-c3nnn[n-]3)o2)C(=O)O1 ZINC000819908119 599308333 /nfs/dbraw/zinc/30/83/33/599308333.db2.gz WNWOYUWBPQATGX-SOFGYWHQSA-N -1 1 287.279 1.802 20 0 CDADMM CC(C)(C)C1=NC(=Cc2ccc(-c3nn[n-]n3)o2)C(=O)O1 ZINC000819908119 599308336 /nfs/dbraw/zinc/30/83/36/599308336.db2.gz WNWOYUWBPQATGX-SOFGYWHQSA-N -1 1 287.279 1.802 20 0 CDADMM CN(Cc1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC000095294779 599392305 /nfs/dbraw/zinc/39/23/05/599392305.db2.gz UMNOYHHERRVLIT-UHFFFAOYSA-N -1 1 266.308 1.898 20 0 CDADMM Cc1noc(C)c1CNc1cccc(-c2nnn[n-]2)n1 ZINC000095310196 599417859 /nfs/dbraw/zinc/41/78/59/599417859.db2.gz CNHXJARETWVEFZ-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1noc(C)c1CNc1cccc(-c2nn[n-]n2)n1 ZINC000095310196 599417862 /nfs/dbraw/zinc/41/78/62/599417862.db2.gz CNHXJARETWVEFZ-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1oc(CN2CCC([C@@H](C)O)CC2)cc1C(=O)[O-] ZINC000235305641 600332264 /nfs/dbraw/zinc/33/22/64/600332264.db2.gz DMMQGSZPTZWTKH-SECBINFHSA-N -1 1 267.325 1.879 20 0 CDADMM CN1CCCC[C@@H]1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000257687032 600363773 /nfs/dbraw/zinc/36/37/73/600363773.db2.gz KYHLWSVLEPFWTP-HTAVTVPLSA-N -1 1 268.357 1.230 20 0 CDADMM Fc1ccc(Oc2ncccc2-c2nn[n-]n2)cn1 ZINC000822783151 607468217 /nfs/dbraw/zinc/46/82/17/607468217.db2.gz XKXBEZQKCQTLSX-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2nccs2)CC1 ZINC000827375147 601123523 /nfs/dbraw/zinc/12/35/23/601123523.db2.gz RMBRNMIPRPQDAD-SECBINFHSA-N -1 1 298.368 1.156 20 0 CDADMM CCN(CCC(=O)[O-])CN1CC2(CCCC2)CC1=O ZINC000829701553 601300621 /nfs/dbraw/zinc/30/06/21/601300621.db2.gz FJTNXYYRPBIKHF-UHFFFAOYSA-N -1 1 268.357 1.533 20 0 CDADMM CCCCNC(=S)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000829401794 601337965 /nfs/dbraw/zinc/33/79/65/601337965.db2.gz LJXVMUIGAFXVHA-NSHDSACASA-N -1 1 287.429 1.142 20 0 CDADMM C[C@H](CN(CN1C(=O)[C@H]2CCCCC[C@@H]21)C1CC1)C(=O)[O-] ZINC000827449140 601397903 /nfs/dbraw/zinc/39/79/03/601397903.db2.gz HBNWZDAOQWTUPU-XBFCOCLRSA-N -1 1 294.395 1.920 20 0 CDADMM C/C(=C/COC(=O)c1c(F)cc(O)cc1F)C(=O)[O-] ZINC000825768904 601426663 /nfs/dbraw/zinc/42/66/63/601426663.db2.gz BXUJPGQVYBGBQO-KXFIGUGUSA-N -1 1 272.203 1.858 20 0 CDADMM O=C([O-])CC[N@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000833236781 601431694 /nfs/dbraw/zinc/43/16/94/601431694.db2.gz ZSNJDRCKOHONKR-VXGBXAGGSA-N -1 1 269.341 1.817 20 0 CDADMM O=C([O-])C[C@@H]1CN(CCc2cccs2)CCO1 ZINC000091295869 601454701 /nfs/dbraw/zinc/45/47/01/601454701.db2.gz GIWGTLQRKXQSFJ-SNVBAGLBSA-N -1 1 255.339 1.466 20 0 CDADMM O=C([O-])CCC1CCN(CN2C(=O)CC23CCC3)CC1 ZINC000833225939 601798751 /nfs/dbraw/zinc/79/87/51/601798751.db2.gz WOHLKHUDWZFCCI-UHFFFAOYSA-N -1 1 280.368 1.676 20 0 CDADMM C[C@H]1CN(Cn2cccnc2=S)C[C@H]1C(=O)[O-] ZINC000828465825 601817406 /nfs/dbraw/zinc/81/74/06/601817406.db2.gz YCVPWPINNSEPAN-DTWKUNHWSA-N -1 1 253.327 1.223 20 0 CDADMM O=C([O-])c1cc(F)ccc1CN1CCSC[C@@H]1CCO ZINC000833298922 601876619 /nfs/dbraw/zinc/87/66/19/601876619.db2.gz ILTIRLUOHUGDBI-LBPRGKRZSA-N -1 1 299.367 1.824 20 0 CDADMM C[C@@]1(C(=O)[O-])CCN(CC(=O)Nc2cccc(F)c2)C1 ZINC000062936295 601941271 /nfs/dbraw/zinc/94/12/71/601941271.db2.gz XSACLQGAOWWPIU-CQSZACIVSA-N -1 1 280.299 1.561 20 0 CDADMM CC(C)C[C@@H](NC(=O)CN1CCC2(CCC2)C1)C(=O)[O-] ZINC000826786481 602239789 /nfs/dbraw/zinc/23/97/89/602239789.db2.gz NYDOHZMKCDFXQM-GFCCVEGCSA-N -1 1 282.384 1.478 20 0 CDADMM CCOC(=O)[C@@H]1CCCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000829869794 604357072 /nfs/dbraw/zinc/35/70/72/604357072.db2.gz NPANDZBNROTLAE-SNVBAGLBSA-N -1 1 281.308 1.753 20 0 CDADMM C[C@@H]1[C@H](C)N(C(=O)c2cccc(C(=O)[O-])c2)CCN1C ZINC000820220969 604838004 /nfs/dbraw/zinc/83/80/04/604838004.db2.gz GNFSUNHLDUQCGL-MNOVXSKESA-N -1 1 276.336 1.549 20 0 CDADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ncc[nH]2)C1 ZINC000386603542 604944217 /nfs/dbraw/zinc/94/42/17/604944217.db2.gz LPGPTKRDZVTHAQ-SNVBAGLBSA-N -1 1 251.330 1.733 20 0 CDADMM CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000833454627 604992827 /nfs/dbraw/zinc/99/28/27/604992827.db2.gz KXTXDGUHTGYFMF-VIFPVBQESA-N -1 1 279.340 1.274 20 0 CDADMM CCc1oc(C(=O)[O-])cc1CN1CCc2cn[nH]c2C1 ZINC000833678117 605009634 /nfs/dbraw/zinc/00/96/34/605009634.db2.gz ISANXJOTOCSUFH-UHFFFAOYSA-N -1 1 275.308 1.822 20 0 CDADMM C/C(=C\CN1CCN(Cc2cccnc2)CC1)C(=O)[O-] ZINC000833385225 605014901 /nfs/dbraw/zinc/01/49/01/605014901.db2.gz UWFBDBJLQXNDBU-YIXHJXPBSA-N -1 1 275.352 1.230 20 0 CDADMM CC(C)c1nc([C@@H](C)NC(=O)NCCCCC(=O)[O-])n[nH]1 ZINC000820061572 605021476 /nfs/dbraw/zinc/02/14/76/605021476.db2.gz KULNPGFUCYCKAF-SECBINFHSA-N -1 1 297.359 1.543 20 0 CDADMM C[C@@]1(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)CCCO1 ZINC000833553362 605060894 /nfs/dbraw/zinc/06/08/94/605060894.db2.gz JDOPFYUEBUXVAQ-AWEZNQCLSA-N -1 1 289.291 1.769 20 0 CDADMM C[C@H]1CC[C@@H](CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])C1 ZINC000833602693 605076357 /nfs/dbraw/zinc/07/63/57/605076357.db2.gz KKZHVFJQVYXDAQ-UMNHJUIQSA-N -1 1 279.340 1.348 20 0 CDADMM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1nnc[nH]1 ZINC000230435642 605169315 /nfs/dbraw/zinc/16/93/15/605169315.db2.gz OOJQDOHHZIIWPF-LURJTMIESA-N -1 1 293.258 1.525 20 0 CDADMM C[C@@H]1CC[C@@]2(CCN(CN3C[C@H](C(=O)[O-])CC3=O)C2)C1 ZINC000833609936 605178108 /nfs/dbraw/zinc/17/81/08/605178108.db2.gz HRYGVUHSJZPXOZ-LALPHHSUSA-N -1 1 280.368 1.389 20 0 CDADMM C[C@@H]1CN2CCCC[C@H]2CN1C(=O)CC(C)(C)CC(=O)[O-] ZINC000251900061 605262104 /nfs/dbraw/zinc/26/21/04/605262104.db2.gz WICOINBUWQQJEL-OLZOCXBDSA-N -1 1 296.411 1.963 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CN2CCOC3(CCOCC3)C2)O1 ZINC000833581556 605357285 /nfs/dbraw/zinc/35/72/85/605357285.db2.gz WURCOVPPYBLZTQ-GFCCVEGCSA-N -1 1 297.351 1.015 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CN2CCO[C@@H](C(C)C)C2)O1 ZINC000833580294 605393560 /nfs/dbraw/zinc/39/35/60/605393560.db2.gz PAJKVYPWLJOJLD-DGCLKSJQSA-N -1 1 269.341 1.491 20 0 CDADMM C[C@]1(C(=O)[O-])CCN(CN2CC3(CCCC3)OC2=O)C1 ZINC000833553630 605420623 /nfs/dbraw/zinc/42/06/23/605420623.db2.gz GLKRLICRPQOSOJ-ZDUSSCGKSA-N -1 1 282.340 1.506 20 0 CDADMM O=C(OC[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)s1 ZINC000823397562 606136383 /nfs/dbraw/zinc/13/63/83/606136383.db2.gz XMBQUPZDADDSLL-SSDOTTSWSA-N -1 1 280.309 1.264 20 0 CDADMM O=C(OC[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)s1 ZINC000823397562 606136385 /nfs/dbraw/zinc/13/63/85/606136385.db2.gz XMBQUPZDADDSLL-SSDOTTSWSA-N -1 1 280.309 1.264 20 0 CDADMM O=c1nc(NCCO[C@@H]2CCCCO2)cc(Cl)[n-]1 ZINC000858551242 617193757 /nfs/dbraw/zinc/19/37/57/617193757.db2.gz ZCTDNVHDMZBQEB-SNVBAGLBSA-N -1 1 273.720 1.791 20 0 CDADMM CC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820876899 606485526 /nfs/dbraw/zinc/48/55/26/606485526.db2.gz VZEMQLGKNXOVHU-ZCFIWIBFSA-N -1 1 251.315 1.457 20 0 CDADMM CC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820876899 606485527 /nfs/dbraw/zinc/48/55/27/606485527.db2.gz VZEMQLGKNXOVHU-ZCFIWIBFSA-N -1 1 251.315 1.457 20 0 CDADMM O=C(Nc1ccccn1)c1ccc(-c2nnn[n-]2)s1 ZINC000823372423 606522171 /nfs/dbraw/zinc/52/21/71/606522171.db2.gz CKFYAMIESXATCD-UHFFFAOYSA-N -1 1 272.293 1.576 20 0 CDADMM O=C(Nc1ccccn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823372423 606522172 /nfs/dbraw/zinc/52/21/72/606522172.db2.gz CKFYAMIESXATCD-UHFFFAOYSA-N -1 1 272.293 1.576 20 0 CDADMM O=C(NC[C@H]1CCCCO1)c1ccc(-c2nnn[n-]2)s1 ZINC000823176509 606535887 /nfs/dbraw/zinc/53/58/87/606535887.db2.gz UUHZVGQWGMVFPZ-MRVPVSSYSA-N -1 1 293.352 1.227 20 0 CDADMM O=C(NC[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)s1 ZINC000823176509 606535889 /nfs/dbraw/zinc/53/58/89/606535889.db2.gz UUHZVGQWGMVFPZ-MRVPVSSYSA-N -1 1 293.352 1.227 20 0 CDADMM C[C@@]1(CNC(=O)c2ccc(-c3nnn[n-]3)s2)CCCO1 ZINC000820618671 606688171 /nfs/dbraw/zinc/68/81/71/606688171.db2.gz LLZZVDJQNHXVIT-LBPRGKRZSA-N -1 1 293.352 1.227 20 0 CDADMM C[C@@]1(CNC(=O)c2ccc(-c3nn[n-]n3)s2)CCCO1 ZINC000820618671 606688172 /nfs/dbraw/zinc/68/81/72/606688172.db2.gz LLZZVDJQNHXVIT-LBPRGKRZSA-N -1 1 293.352 1.227 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCSC1 ZINC000823294558 606818130 /nfs/dbraw/zinc/81/81/30/606818130.db2.gz GWSBDAXRTDJDMF-MRVPVSSYSA-N -1 1 291.336 1.264 20 0 CDADMM Cc1nc(COc2cccc(F)c2-c2nnn[n-]2)no1 ZINC000826326127 607866103 /nfs/dbraw/zinc/86/61/03/607866103.db2.gz BIEZYKPKRSFLIO-UHFFFAOYSA-N -1 1 276.231 1.276 20 0 CDADMM Cc1nc(COc2cccc(F)c2-c2nn[n-]n2)no1 ZINC000826326127 607866104 /nfs/dbraw/zinc/86/61/04/607866104.db2.gz BIEZYKPKRSFLIO-UHFFFAOYSA-N -1 1 276.231 1.276 20 0 CDADMM c1csc(Sc2cccc(-c3nn[n-]n3)n2)n1 ZINC000095163612 607897077 /nfs/dbraw/zinc/89/70/77/607897077.db2.gz JYLAJXZNMMSBEL-UHFFFAOYSA-N -1 1 262.323 1.869 20 0 CDADMM Cn1ncc2c1CCC[C@H]2Nc1cccc(-c2nnn[n-]2)n1 ZINC000826366399 607896867 /nfs/dbraw/zinc/89/68/67/607896867.db2.gz GLSIIYNFGNJAAL-SNVBAGLBSA-N -1 1 296.338 1.485 20 0 CDADMM Cn1ncc2c1CCC[C@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000826366399 607896868 /nfs/dbraw/zinc/89/68/68/607896868.db2.gz GLSIIYNFGNJAAL-SNVBAGLBSA-N -1 1 296.338 1.485 20 0 CDADMM c1csc(Sc2cccc(-c3nnn[n-]3)n2)n1 ZINC000095163612 607897076 /nfs/dbraw/zinc/89/70/76/607897076.db2.gz JYLAJXZNMMSBEL-UHFFFAOYSA-N -1 1 262.323 1.869 20 0 CDADMM C[C@@H]1CC[C@H](C)N(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000824907231 607900952 /nfs/dbraw/zinc/90/09/52/607900952.db2.gz HDLANMABFNDUMI-ZJUUUORDSA-N -1 1 258.329 1.887 20 0 CDADMM C[C@@H]1CC[C@H](C)N(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000824907231 607900953 /nfs/dbraw/zinc/90/09/53/607900953.db2.gz HDLANMABFNDUMI-ZJUUUORDSA-N -1 1 258.329 1.887 20 0 CDADMM Cc1cccc(CN(C)c2cccc(-c3nnn[n-]3)n2)n1 ZINC000826298295 607901823 /nfs/dbraw/zinc/90/18/23/607901823.db2.gz MLYUBKCIXJNFPI-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1cccc(CN(C)c2cccc(-c3nn[n-]n3)n2)n1 ZINC000826298295 607901824 /nfs/dbraw/zinc/90/18/24/607901824.db2.gz MLYUBKCIXJNFPI-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000820513120 608166938 /nfs/dbraw/zinc/16/69/38/608166938.db2.gz VHARGOKTOYHFCA-LURJTMIESA-N -1 1 264.310 1.884 20 0 CDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000820513120 608166940 /nfs/dbraw/zinc/16/69/40/608166940.db2.gz VHARGOKTOYHFCA-LURJTMIESA-N -1 1 264.310 1.884 20 0 CDADMM C[C@H](c1cccs1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824770150 608399651 /nfs/dbraw/zinc/39/96/51/608399651.db2.gz FPKNSUJCTPEMQR-MRVPVSSYSA-N -1 1 287.352 1.916 20 0 CDADMM C[C@H](c1cccs1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824770150 608399654 /nfs/dbraw/zinc/39/96/54/608399654.db2.gz FPKNSUJCTPEMQR-MRVPVSSYSA-N -1 1 287.352 1.916 20 0 CDADMM CCCCN(CCCO)c1cccc(-c2nn[n-]n2)n1 ZINC000825285430 608415037 /nfs/dbraw/zinc/41/50/37/608415037.db2.gz UYFRHWPYUNGPED-UHFFFAOYSA-N -1 1 276.344 1.251 20 0 CDADMM CCCCN(CCCO)c1cccc(-c2nnn[n-]2)n1 ZINC000825285430 608415034 /nfs/dbraw/zinc/41/50/34/608415034.db2.gz UYFRHWPYUNGPED-UHFFFAOYSA-N -1 1 276.344 1.251 20 0 CDADMM CC(C)n1ccc(CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC000824371341 608420654 /nfs/dbraw/zinc/42/06/54/608420654.db2.gz AWAOPEKTRJHUOJ-UHFFFAOYSA-N -1 1 285.315 1.046 20 0 CDADMM CC(C)n1ccc(CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC000824371341 608420655 /nfs/dbraw/zinc/42/06/55/608420655.db2.gz AWAOPEKTRJHUOJ-UHFFFAOYSA-N -1 1 285.315 1.046 20 0 CDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)c1ccncc1 ZINC000824429436 608428438 /nfs/dbraw/zinc/42/84/38/608428438.db2.gz WVSXKEUZOMUWHR-VIFPVBQESA-N -1 1 282.311 1.267 20 0 CDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)c1ccncc1 ZINC000824429436 608428440 /nfs/dbraw/zinc/42/84/40/608428440.db2.gz WVSXKEUZOMUWHR-VIFPVBQESA-N -1 1 282.311 1.267 20 0 CDADMM OCC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC000826508307 608431154 /nfs/dbraw/zinc/43/11/54/608431154.db2.gz LWGSCNBEKABJTF-UHFFFAOYSA-N -1 1 289.343 1.011 20 0 CDADMM OCC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC000826508307 608431155 /nfs/dbraw/zinc/43/11/55/608431155.db2.gz LWGSCNBEKABJTF-UHFFFAOYSA-N -1 1 289.343 1.011 20 0 CDADMM Clc1nsc(NCCc2ccc[nH]2)c1-c1nnn[n-]1 ZINC000826354217 608540709 /nfs/dbraw/zinc/54/07/09/608540709.db2.gz TZUUJVQVOPXLSH-UHFFFAOYSA-N -1 1 295.759 1.959 20 0 CDADMM Clc1nsc(NCCc2ccc[nH]2)c1-c1nn[n-]n1 ZINC000826354217 608540711 /nfs/dbraw/zinc/54/07/11/608540711.db2.gz TZUUJVQVOPXLSH-UHFFFAOYSA-N -1 1 295.759 1.959 20 0 CDADMM CO[C@@H]1[C@@H](C)[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1(C)C ZINC000826144567 608587928 /nfs/dbraw/zinc/58/79/28/608587928.db2.gz MJMNJWPCJSGVNP-XXILOJSOSA-N -1 1 288.355 1.733 20 0 CDADMM CO[C@@H]1[C@@H](C)[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1(C)C ZINC000826144567 608587929 /nfs/dbraw/zinc/58/79/29/608587929.db2.gz MJMNJWPCJSGVNP-XXILOJSOSA-N -1 1 288.355 1.733 20 0 CDADMM Cc1ccc(CCn2ccnc2-c2nnn[n-]2)cc1 ZINC000826287602 608894757 /nfs/dbraw/zinc/89/47/57/608894757.db2.gz VTMFBJIDUKTFKL-UHFFFAOYSA-N -1 1 254.297 1.614 20 0 CDADMM Cc1ccc(CCn2ccnc2-c2nn[n-]n2)cc1 ZINC000826287602 608894760 /nfs/dbraw/zinc/89/47/60/608894760.db2.gz VTMFBJIDUKTFKL-UHFFFAOYSA-N -1 1 254.297 1.614 20 0 CDADMM COC1(C)CN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000826143480 609165160 /nfs/dbraw/zinc/16/51/60/609165160.db2.gz BDVIAOWMOJXTNI-UHFFFAOYSA-N -1 1 297.322 1.035 20 0 CDADMM COC1(C)CN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000826143480 609165163 /nfs/dbraw/zinc/16/51/63/609165163.db2.gz BDVIAOWMOJXTNI-UHFFFAOYSA-N -1 1 297.322 1.035 20 0 CDADMM CC(C)(C)OCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824119817 609349111 /nfs/dbraw/zinc/34/91/11/609349111.db2.gz QVBVSRNAXIDTQE-UHFFFAOYSA-N -1 1 291.311 1.120 20 0 CDADMM CC(C)(C)OCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824119817 609349113 /nfs/dbraw/zinc/34/91/13/609349113.db2.gz QVBVSRNAXIDTQE-UHFFFAOYSA-N -1 1 291.311 1.120 20 0 CDADMM CS[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC000826225409 609590817 /nfs/dbraw/zinc/59/08/17/609590817.db2.gz BIOSLMPRJUUTTM-SECBINFHSA-N -1 1 293.400 1.846 20 0 CDADMM CS[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC000826225409 609590819 /nfs/dbraw/zinc/59/08/19/609590819.db2.gz BIOSLMPRJUUTTM-SECBINFHSA-N -1 1 293.400 1.846 20 0 CDADMM O=C(NCc1cnc2n1CCOC2)c1ccc([O-])cc1F ZINC000890845495 617342321 /nfs/dbraw/zinc/34/23/21/617342321.db2.gz BIAHAOXNGWBDOM-UHFFFAOYSA-N -1 1 291.282 1.188 20 0 CDADMM CSCC(C)(C)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000890873464 617343869 /nfs/dbraw/zinc/34/38/69/617343869.db2.gz LNZAFXVTTGIVML-UHFFFAOYSA-N -1 1 296.421 1.889 20 0 CDADMM COCc1nc(NCCOc2ccccc2)cc(=O)[n-]1 ZINC000891487673 617439850 /nfs/dbraw/zinc/43/98/50/617439850.db2.gz MWIHXHDGODXINU-UHFFFAOYSA-N -1 1 275.308 1.820 20 0 CDADMM CC(=O)N[C@@H](C)[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000953595738 613963688 /nfs/dbraw/zinc/96/36/88/613963688.db2.gz QXNIZUDVVRIIFZ-CMPLNLGQSA-N -1 1 291.351 1.307 20 0 CDADMM CC(C)=CC(=O)N1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC000954124035 614241086 /nfs/dbraw/zinc/24/10/86/614241086.db2.gz JCPHPKIBSDGABS-UHFFFAOYSA-N -1 1 289.335 1.036 20 0 CDADMM CCn1cc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cn1 ZINC000891624134 617511139 /nfs/dbraw/zinc/51/11/39/617511139.db2.gz XIUOOJPNWFEARS-UHFFFAOYSA-N -1 1 287.323 1.530 20 0 CDADMM CN(C(=O)C1(Cc2cccc(F)c2)CCC1)c1nn[n-]n1 ZINC000892955238 617973129 /nfs/dbraw/zinc/97/31/29/617973129.db2.gz YQULFUKEJURAIF-UHFFFAOYSA-N -1 1 289.314 1.715 20 0 CDADMM COCc1nc(N[C@H](C)Cn2cccn2)cc(=O)[n-]1 ZINC000891795318 617594117 /nfs/dbraw/zinc/59/41/17/617594117.db2.gz HZBCZHFUXWPPNU-SECBINFHSA-N -1 1 263.301 1.026 20 0 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/nfs/dbraw/zinc/64/96/30/1163649630.db2.gz LALJEEHTYMVZFR-JTQLQIEISA-N -1 1 284.327 1.267 20 0 CDADMM Cc1cc(N[C@@H]2CCC[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001605723327 1163651457 /nfs/dbraw/zinc/65/14/57/1163651457.db2.gz QVPFQTBBGMWCLQ-GXSJLCMTSA-N -1 1 272.356 1.983 20 0 CDADMM Cc1cc(N[C@@H]2CCC[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001605723327 1163651463 /nfs/dbraw/zinc/65/14/63/1163651463.db2.gz QVPFQTBBGMWCLQ-GXSJLCMTSA-N -1 1 272.356 1.983 20 0 CDADMM Cc1cc(N[C@H]2CCC[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001605723331 1163651479 /nfs/dbraw/zinc/65/14/79/1163651479.db2.gz QVPFQTBBGMWCLQ-ONGXEEELSA-N -1 1 272.356 1.983 20 0 CDADMM Cc1cc(N[C@H]2CCC[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001605723331 1163651483 /nfs/dbraw/zinc/65/14/83/1163651483.db2.gz QVPFQTBBGMWCLQ-ONGXEEELSA-N -1 1 272.356 1.983 20 0 CDADMM CCc1nnc(NC(=O)c2cccc(OCC(=O)[O-])c2)[nH]1 ZINC001605844406 1163687343 /nfs/dbraw/zinc/68/73/43/1163687343.db2.gz FKWBFLMUMRZMEI-UHFFFAOYSA-N -1 1 290.279 1.083 20 0 CDADMM CCc1n[nH]c(NC(=O)c2cccc(OCC(=O)[O-])c2)n1 ZINC001605844406 1163687347 /nfs/dbraw/zinc/68/73/47/1163687347.db2.gz FKWBFLMUMRZMEI-UHFFFAOYSA-N -1 1 290.279 1.083 20 0 CDADMM Cc1ccc(N2CCO[C@H](C(C)C)C2)nc1-c1nnn[n-]1 ZINC001605867256 1163698062 /nfs/dbraw/zinc/69/80/62/1163698062.db2.gz GVKFBFMPYYZBDY-NSHDSACASA-N -1 1 288.355 1.431 20 0 CDADMM Cc1ccc(N2CCO[C@H](C(C)C)C2)nc1-c1nn[n-]n1 ZINC001605867256 1163698065 /nfs/dbraw/zinc/69/80/65/1163698065.db2.gz GVKFBFMPYYZBDY-NSHDSACASA-N -1 1 288.355 1.431 20 0 CDADMM Cc1ccc(OCc2nc(-c3nnn[n-]3)cs2)nc1 ZINC001605879412 1163704979 /nfs/dbraw/zinc/70/49/79/1163704979.db2.gz LXIZOGBURHHLJJ-UHFFFAOYSA-N -1 1 274.309 1.606 20 0 CDADMM Cc1cccc(C)c1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001605909117 1163711453 /nfs/dbraw/zinc/71/14/53/1163711453.db2.gz ZPUUXWCQANGRQL-UHFFFAOYSA-N -1 1 280.335 1.913 20 0 CDADMM Cc1cccc(C)c1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001605909117 1163711456 /nfs/dbraw/zinc/71/14/56/1163711456.db2.gz ZPUUXWCQANGRQL-UHFFFAOYSA-N -1 1 280.335 1.913 20 0 CDADMM CCn1nncc1CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC001605946709 1163723098 /nfs/dbraw/zinc/72/30/98/1163723098.db2.gz BCZNYCVDQNTFEH-SMDDNHRTSA-N -1 1 288.351 1.850 20 0 CDADMM Cc1cn2c(n1)CN(c1ccc(C)c(-c3nnn[n-]3)n1)CC2 ZINC001605970101 1163731451 /nfs/dbraw/zinc/73/14/51/1163731451.db2.gz CCGHIYZPPRIFIO-UHFFFAOYSA-N -1 1 296.338 1.095 20 0 CDADMM Cc1cn2c(n1)CN(c1ccc(C)c(-c3nn[n-]n3)n1)CC2 ZINC001605970101 1163731458 /nfs/dbraw/zinc/73/14/58/1163731458.db2.gz CCGHIYZPPRIFIO-UHFFFAOYSA-N -1 1 296.338 1.095 20 0 CDADMM Cc1[nH]nc(NCc2cc3cnccc3o2)c1-c1nnn[n-]1 ZINC001606013955 1163743653 /nfs/dbraw/zinc/74/36/53/1163743653.db2.gz KTNHRGGSDCSKBC-UHFFFAOYSA-N -1 1 296.294 1.652 20 0 CDADMM Cc1[nH]nc(NCc2cc3cnccc3o2)c1-c1nn[n-]n1 ZINC001606013955 1163743657 /nfs/dbraw/zinc/74/36/57/1163743657.db2.gz KTNHRGGSDCSKBC-UHFFFAOYSA-N -1 1 296.294 1.652 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@H]2CC[C@H](C)O2)c1C ZINC001606020738 1163747503 /nfs/dbraw/zinc/74/75/03/1163747503.db2.gz ANBVNXWKAHTHSJ-OIBJUYFYSA-N -1 1 262.317 1.248 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@H]2CC[C@H](C)O2)c1C ZINC001606020738 1163747506 /nfs/dbraw/zinc/74/75/06/1163747506.db2.gz ANBVNXWKAHTHSJ-OIBJUYFYSA-N -1 1 262.317 1.248 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC(C)(C)C2(C)C)n1 ZINC001606020072 1163748461 /nfs/dbraw/zinc/74/84/61/1163748461.db2.gz QWGCTYNNKMSNLL-UHFFFAOYSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC(C)(C)C2(C)C)n1 ZINC001606020072 1163748466 /nfs/dbraw/zinc/74/84/66/1163748466.db2.gz QWGCTYNNKMSNLL-UHFFFAOYSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1noc([C@@H]2CCCN2c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001606132307 1163783626 /nfs/dbraw/zinc/78/36/26/1163783626.db2.gz MMDYSESDDCJQSS-NSHDSACASA-N -1 1 298.310 1.295 20 0 CDADMM Cc1noc([C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001606132307 1163783629 /nfs/dbraw/zinc/78/36/29/1163783629.db2.gz MMDYSESDDCJQSS-NSHDSACASA-N -1 1 298.310 1.295 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCCSC1 ZINC001606166378 1163793350 /nfs/dbraw/zinc/79/33/50/1163793350.db2.gz QPUMDDIMNRUBGT-UHFFFAOYSA-N -1 1 279.325 1.305 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCCSC1 ZINC001606166378 1163793361 /nfs/dbraw/zinc/79/33/61/1163793361.db2.gz QPUMDDIMNRUBGT-UHFFFAOYSA-N -1 1 279.325 1.305 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC001606166332 1163794711 /nfs/dbraw/zinc/79/47/11/1163794711.db2.gz QGJAPUNWFUHBOL-IUCAKERBSA-N -1 1 289.339 1.886 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC001606166332 1163794717 /nfs/dbraw/zinc/79/47/17/1163794717.db2.gz QGJAPUNWFUHBOL-IUCAKERBSA-N -1 1 289.339 1.886 20 0 CDADMM CN(Cc1ccc(/C=C\C(=O)[O-])o1)[C@@H]1CCC(=O)N(C)C1 ZINC001606203624 1163805029 /nfs/dbraw/zinc/80/50/29/1163805029.db2.gz WKSVQAKFVNKCHM-BPOWMSRESA-N -1 1 292.335 1.430 20 0 CDADMM F[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@@H]1F ZINC001606303949 1163847333 /nfs/dbraw/zinc/84/73/33/1163847333.db2.gz HGGWZAQNCZSNBA-KNVOCYPGSA-N -1 1 286.673 1.411 20 0 CDADMM F[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@@H]1F ZINC001606303949 1163847343 /nfs/dbraw/zinc/84/73/43/1163847343.db2.gz HGGWZAQNCZSNBA-KNVOCYPGSA-N -1 1 286.673 1.411 20 0 CDADMM O=C(CSC(F)F)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606580302 1163932142 /nfs/dbraw/zinc/93/21/42/1163932142.db2.gz KRXVAQOCZOASIC-UHFFFAOYSA-N -1 1 286.267 1.156 20 0 CDADMM O=C(CSC(F)F)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606580302 1163932146 /nfs/dbraw/zinc/93/21/46/1163932146.db2.gz KRXVAQOCZOASIC-UHFFFAOYSA-N -1 1 286.267 1.156 20 0 CDADMM O=C(Nc1ccc2c(c1)C(=O)OC2)C(=O)c1ccc([O-])cc1 ZINC000813871849 1163982320 /nfs/dbraw/zinc/98/23/20/1163982320.db2.gz VEWMALHFPVOOGJ-UHFFFAOYSA-N -1 1 297.266 1.884 20 0 CDADMM O=C(NCCCc1ccccc1)c1coc(-c2nnn[n-]2)c1 ZINC001606776268 1163991388 /nfs/dbraw/zinc/99/13/88/1163991388.db2.gz AIHCTSCEMLDOFQ-UHFFFAOYSA-N -1 1 297.318 1.822 20 0 CDADMM O=C(NCCCc1ccccc1)c1coc(-c2nn[n-]n2)c1 ZINC001606776268 1163991394 /nfs/dbraw/zinc/99/13/94/1163991394.db2.gz AIHCTSCEMLDOFQ-UHFFFAOYSA-N -1 1 297.318 1.822 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)C12CCC(CC1)C2 ZINC001606983069 1164049626 /nfs/dbraw/zinc/04/96/26/1164049626.db2.gz YWSGBXIJKXHZCV-UHFFFAOYSA-N -1 1 299.334 1.885 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)C12CCC(CC1)C2 ZINC001606983069 1164049631 /nfs/dbraw/zinc/04/96/31/1164049631.db2.gz YWSGBXIJKXHZCV-UHFFFAOYSA-N -1 1 299.334 1.885 20 0 CDADMM CON1CCC(N(C)[C@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC001606994536 1164054318 /nfs/dbraw/zinc/05/43/18/1164054318.db2.gz KGQQZGIAGTWGSR-SECBINFHSA-N -1 1 299.396 1.860 20 0 CDADMM CO[C@@H]1CCN(Cc2cc(C(=O)[O-])c(C)n2C)C1 ZINC001606999131 1164055655 /nfs/dbraw/zinc/05/56/55/1164055655.db2.gz GHYUSELZPPWBAB-LLVKDONJSA-N -1 1 252.314 1.252 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1CCSC(F)(F)F ZINC001607090909 1164077523 /nfs/dbraw/zinc/07/75/23/1164077523.db2.gz BVNCDJLZFOJYHG-UHFFFAOYSA-N -1 1 291.258 1.281 20 0 CDADMM OCC(F)(F)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001607104374 1164084626 /nfs/dbraw/zinc/08/46/26/1164084626.db2.gz XHANOZSYKPCVSY-UHFFFAOYSA-N -1 1 296.690 1.016 20 0 CDADMM OCC(F)(F)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001607104374 1164084632 /nfs/dbraw/zinc/08/46/32/1164084632.db2.gz XHANOZSYKPCVSY-UHFFFAOYSA-N -1 1 296.690 1.016 20 0 CDADMM c1csc([C@@H]2CCN(c3cccc(-c4nnn[n-]4)n3)C2)n1 ZINC001607116096 1164095232 /nfs/dbraw/zinc/09/52/32/1164095232.db2.gz BMMJVBNTYHPBCQ-SECBINFHSA-N -1 1 299.363 1.712 20 0 CDADMM c1csc([C@@H]2CCN(c3cccc(-c4nn[n-]n4)n3)C2)n1 ZINC001607116096 1164095239 /nfs/dbraw/zinc/09/52/39/1164095239.db2.gz BMMJVBNTYHPBCQ-SECBINFHSA-N -1 1 299.363 1.712 20 0 CDADMM c1ccc(CN(c2ccnc(-c3nnn[n-]3)c2)C2CC2)nc1 ZINC001607127997 1164107991 /nfs/dbraw/zinc/10/79/91/1164107991.db2.gz BUDXQEAQKFIQPB-UHFFFAOYSA-N -1 1 293.334 1.826 20 0 CDADMM c1ccc(CN(c2ccnc(-c3nn[n-]n3)c2)C2CC2)nc1 ZINC001607127997 1164107992 /nfs/dbraw/zinc/10/79/92/1164107992.db2.gz BUDXQEAQKFIQPB-UHFFFAOYSA-N -1 1 293.334 1.826 20 0 CDADMM O=C(c1c([O-])cccc1Cl)N1CC2(C1)CCOC2 ZINC000819378645 1164200579 /nfs/dbraw/zinc/20/05/79/1164200579.db2.gz NMOMDDKKSDHEDB-UHFFFAOYSA-N -1 1 267.712 1.908 20 0 CDADMM Cn1cc(NC(=O)[C@H]2Cc3ccccc3CN2)cc1C(=O)[O-] ZINC001608118790 1164415937 /nfs/dbraw/zinc/41/59/37/1164415937.db2.gz NJNQDMCSESUGHC-CYBMUJFWSA-N -1 1 299.330 1.376 20 0 CDADMM O=C([O-])[C@@H](Cc1cc2ccccc2o1)NCC1OCCO1 ZINC001608539766 1164537698 /nfs/dbraw/zinc/53/76/98/1164537698.db2.gz IVRZIOJVNKLIOG-GFCCVEGCSA-N -1 1 291.303 1.391 20 0 CDADMM O=C([O-])CC[N@@H+](CC(=O)[O-])Cc1ccccc1C1CC1 ZINC001608720800 1164620035 /nfs/dbraw/zinc/62/00/35/1164620035.db2.gz FTTUJVOCMWLZAR-UHFFFAOYSA-N -1 1 277.320 1.925 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)c1c(O)cccc1F ZINC001608812754 1164646147 /nfs/dbraw/zinc/64/61/47/1164646147.db2.gz VCNKOEWWYLWWIV-XPUUQOCRSA-N -1 1 271.219 1.169 20 0 CDADMM O=C([O-])c1ccc(CSCc2nnc[nH]2)s1 ZINC001608891099 1164678607 /nfs/dbraw/zinc/67/86/07/1164678607.db2.gz YDPJIJJLNDKWSX-UHFFFAOYSA-N -1 1 255.324 1.998 20 0 CDADMM O=C([O-])c1ccnc(N[C@H]2CCCc3cn[nH]c32)n1 ZINC001608953230 1164693241 /nfs/dbraw/zinc/69/32/41/1164693241.db2.gz AKUAXBPGQWVZMV-QMMMGPOBSA-N -1 1 259.269 1.387 20 0 CDADMM O=C([O-])c1cncnc1Nc1cnn(-c2ccncc2)c1 ZINC001608984032 1164706185 /nfs/dbraw/zinc/70/61/85/1164706185.db2.gz OZJOJLSERAXRFB-UHFFFAOYSA-N -1 1 282.263 1.499 20 0 CDADMM CC[C@@]1(O)CCCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000866067702 1164729102 /nfs/dbraw/zinc/72/91/02/1164729102.db2.gz SPLVRBVREMYQEY-LLVKDONJSA-N -1 1 257.721 1.577 20 0 CDADMM CC(C)(CNc1cc(-c2nnn[n-]2)ncn1)c1ccncc1 ZINC001609084222 1164763143 /nfs/dbraw/zinc/76/31/43/1164763143.db2.gz OTFJOYZEQGYGBX-UHFFFAOYSA-N -1 1 296.338 1.441 20 0 CDADMM CC(C)(CNc1cc(-c2nn[n-]n2)ncn1)c1ccncc1 ZINC001609084222 1164763150 /nfs/dbraw/zinc/76/31/50/1164763150.db2.gz OTFJOYZEQGYGBX-UHFFFAOYSA-N -1 1 296.338 1.441 20 0 CDADMM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609161668 1164808458 /nfs/dbraw/zinc/80/84/58/1164808458.db2.gz XKTZSXHVPPJUOP-HTQZYQBOSA-N -1 1 261.285 1.473 20 0 CDADMM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609161668 1164808459 /nfs/dbraw/zinc/80/84/59/1164808459.db2.gz XKTZSXHVPPJUOP-HTQZYQBOSA-N -1 1 261.285 1.473 20 0 CDADMM C[C@H]1CCC[C@H](N(C)c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001609163096 1164808762 /nfs/dbraw/zinc/80/87/62/1164808762.db2.gz RRRAHTLGFBVNTL-UWVGGRQHSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@H]1CCC[C@H](N(C)c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001609163096 1164808768 /nfs/dbraw/zinc/80/87/68/1164808768.db2.gz RRRAHTLGFBVNTL-UWVGGRQHSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)CCO1 ZINC001609176496 1164816481 /nfs/dbraw/zinc/81/64/81/1164816481.db2.gz XTRFDQPEKQNCTE-YFKPBYRVSA-N -1 1 286.748 1.202 20 0 CDADMM CCN(CCC1CC1)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609224318 1164854305 /nfs/dbraw/zinc/85/43/05/1164854305.db2.gz STYFFOUDFPYNOH-UHFFFAOYSA-N -1 1 286.339 1.524 20 0 CDADMM CCN(CCC1CC1)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609224318 1164854310 /nfs/dbraw/zinc/85/43/10/1164854310.db2.gz STYFFOUDFPYNOH-UHFFFAOYSA-N -1 1 286.339 1.524 20 0 CDADMM CCN(CC1CC1)Cn1ccc(C)c(-c2nnn[n-]2)c1=O ZINC001609223668 1164854547 /nfs/dbraw/zinc/85/45/47/1164854547.db2.gz FEYHLPYFYKHLOD-UHFFFAOYSA-N -1 1 288.355 1.026 20 0 CDADMM CCSCCn1ccn2ncc(-c3nn[n-]n3)c12 ZINC001609248641 1164864398 /nfs/dbraw/zinc/86/43/98/1164864398.db2.gz KXUXQCCEGCQPNJ-UHFFFAOYSA-N -1 1 263.330 1.069 20 0 CDADMM CCc1nc(C)c(CNc2cncc(-c3nnn[n-]3)n2)o1 ZINC001609254481 1164867372 /nfs/dbraw/zinc/86/73/72/1164867372.db2.gz IAVCEUAVJOHMCJ-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CCc1nc(C)c(CNc2cncc(-c3nn[n-]n3)n2)o1 ZINC001609254481 1164867377 /nfs/dbraw/zinc/86/73/77/1164867377.db2.gz IAVCEUAVJOHMCJ-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CCCOC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000867900324 1164879738 /nfs/dbraw/zinc/87/97/38/1164879738.db2.gz LLYCQUBTAGMRGI-UHFFFAOYSA-N -1 1 268.235 1.143 20 0 CDADMM CN1CCc2ccc(Nc3cc(-c4nnn[n-]4)ncn3)cc21 ZINC001609285703 1164880218 /nfs/dbraw/zinc/88/02/18/1164880218.db2.gz POQHFMBDOPSTBC-UHFFFAOYSA-N -1 1 294.322 1.393 20 0 CDADMM CN1CCc2ccc(Nc3cc(-c4nn[n-]n4)ncn3)cc21 ZINC001609285703 1164880224 /nfs/dbraw/zinc/88/02/24/1164880224.db2.gz POQHFMBDOPSTBC-UHFFFAOYSA-N -1 1 294.322 1.393 20 0 CDADMM CSC[C@@H]1CCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609370954 1164912906 /nfs/dbraw/zinc/91/29/06/1164912906.db2.gz JDAGSJNCCKXYCL-VIFPVBQESA-N -1 1 291.384 1.297 20 0 CDADMM CSC[C@@H]1CCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609370954 1164912912 /nfs/dbraw/zinc/91/29/12/1164912912.db2.gz JDAGSJNCCKXYCL-VIFPVBQESA-N -1 1 291.384 1.297 20 0 CDADMM Cc1cc(NCCSCCCO)cc(-c2nnn[n-]2)n1 ZINC001609410324 1164937656 /nfs/dbraw/zinc/93/76/56/1164937656.db2.gz DQHVZTUXUMWDSO-UHFFFAOYSA-N -1 1 294.384 1.098 20 0 CDADMM Cc1cc(NCCSCCCO)cc(-c2nn[n-]n2)n1 ZINC001609410324 1164937664 /nfs/dbraw/zinc/93/76/64/1164937664.db2.gz DQHVZTUXUMWDSO-UHFFFAOYSA-N -1 1 294.384 1.098 20 0 CDADMM Cc1nsc(NC(=O)CSC(C)C)c1-c1nnn[n-]1 ZINC001609464723 1164962840 /nfs/dbraw/zinc/96/28/40/1164962840.db2.gz DXIAVGGDWSCDBS-UHFFFAOYSA-N -1 1 298.397 1.712 20 0 CDADMM Cc1nsc(NC(=O)CSC(C)C)c1-c1nn[n-]n1 ZINC001609464723 1164962847 /nfs/dbraw/zinc/96/28/47/1164962847.db2.gz DXIAVGGDWSCDBS-UHFFFAOYSA-N -1 1 298.397 1.712 20 0 CDADMM ClC1(Cl)C[C@@H]1COc1cnc(-c2nn[n-]n2)nc1 ZINC001609472273 1164964519 /nfs/dbraw/zinc/96/45/19/1164964519.db2.gz WUQRABNUFMCMGQ-RXMQYKEDSA-N -1 1 287.110 1.229 20 0 CDADMM Cn1ccc(-c2noc(-c3cccc(-c4nnn[n-]4)n3)n2)c1 ZINC001609479892 1164967135 /nfs/dbraw/zinc/96/71/35/1164967135.db2.gz WIVYQESJSBPPAW-UHFFFAOYSA-N -1 1 294.278 1.317 20 0 CDADMM Cn1ccc(-c2noc(-c3cccc(-c4nn[n-]n4)n3)n2)c1 ZINC001609479892 1164967140 /nfs/dbraw/zinc/96/71/40/1164967140.db2.gz WIVYQESJSBPPAW-UHFFFAOYSA-N -1 1 294.278 1.317 20 0 CDADMM Clc1ccc(N2CC[C@]23CCOC3)nc1-c1nnn[n-]1 ZINC001609473247 1164968117 /nfs/dbraw/zinc/96/81/17/1164968117.db2.gz UFCBQHJPPYZUMT-GFCCVEGCSA-N -1 1 292.730 1.284 20 0 CDADMM Clc1ccc(N2CC[C@]23CCOC3)nc1-c1nn[n-]n1 ZINC001609473247 1164968124 /nfs/dbraw/zinc/96/81/24/1164968124.db2.gz UFCBQHJPPYZUMT-GFCCVEGCSA-N -1 1 292.730 1.284 20 0 CDADMM O=C(NC1(C2CCC2)CCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609539724 1164982393 /nfs/dbraw/zinc/98/23/93/1164982393.db2.gz XPVPFNPYQOZFAS-UHFFFAOYSA-N -1 1 298.350 1.714 20 0 CDADMM O=C(NC1(C2CCC2)CCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609539724 1164982398 /nfs/dbraw/zinc/98/23/98/1164982398.db2.gz XPVPFNPYQOZFAS-UHFFFAOYSA-N -1 1 298.350 1.714 20 0 CDADMM C[C@](NCC(=O)Nc1ccc(O)cc1)(C(=O)[O-])C1CC1 ZINC001609775339 1165075580 /nfs/dbraw/zinc/07/55/80/1165075580.db2.gz YOJNBFGYYHISEW-CQSZACIVSA-N -1 1 278.308 1.174 20 0 CDADMM C[C@H](NCc1cc(C(=O)[O-])n(C)c1)C(=O)NC(C)(C)C ZINC001609780327 1165078560 /nfs/dbraw/zinc/07/85/60/1165078560.db2.gz OTWYBIRDPNGTFS-VIFPVBQESA-N -1 1 281.356 1.116 20 0 CDADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1CC(=O)OCc1ccccc1 ZINC001609836415 1165105054 /nfs/dbraw/zinc/10/50/54/1165105054.db2.gz XNFXXNPRGRRZOY-YPMHNXCESA-N -1 1 277.320 1.525 20 0 CDADMM Cc1ccccc1C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001610528464 1165339538 /nfs/dbraw/zinc/33/95/38/1165339538.db2.gz SSKRCOZFWFUPJS-ZDUSSCGKSA-N -1 1 290.363 1.616 20 0 CDADMM Cn1c(C(=O)[O-])ccc1-c1nc([C@@H]2CCCN2)no1 ZINC001610597153 1165371307 /nfs/dbraw/zinc/37/13/07/1165371307.db2.gz RXTRTWOASJDXPJ-ZETCQYMHSA-N -1 1 262.269 1.198 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2ccc3[nH]nnc3c2)c[nH]1 ZINC001610708897 1165411348 /nfs/dbraw/zinc/41/13/48/1165411348.db2.gz WCIXFYMDHUOBIR-UHFFFAOYSA-N -1 1 271.236 1.237 20 0 CDADMM O=C([O-])C[C@H](NCc1nnc(C2CC2)s1)C1CC1 ZINC001610754095 1165429459 /nfs/dbraw/zinc/42/94/59/1165429459.db2.gz KLXMECRUBDDLMM-VIFPVBQESA-N -1 1 267.354 1.758 20 0 CDADMM O=C([O-])c1cccc(COC(=O)c2ccc3cncn3c2)n1 ZINC001610880438 1165473272 /nfs/dbraw/zinc/47/32/72/1165473272.db2.gz RMOZLCMLCVLLIY-UHFFFAOYSA-N -1 1 297.270 1.785 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)C2(F)CCOCC2)n1 ZINC000875679173 1165748350 /nfs/dbraw/zinc/74/83/50/1165748350.db2.gz KHNURDUNYBNPBA-UHFFFAOYSA-N -1 1 285.275 1.044 20 0 CDADMM O=C(NC[C@H](O)c1ccsc1)c1ccc([O-])cn1 ZINC001631215537 1166260815 /nfs/dbraw/zinc/26/08/15/1166260815.db2.gz NTMAFVQYNUTTGG-NSHDSACASA-N -1 1 264.306 1.312 20 0 CDADMM CN(C(=O)CSc1nc2ccccc2o1)c1nn[n-]n1 ZINC001641462395 1167109583 /nfs/dbraw/zinc/10/95/83/1167109583.db2.gz RNWQNOZYLUABOI-UHFFFAOYSA-N -1 1 290.308 1.096 20 0 CDADMM CSCC[C@H](NC(=O)c1[nH]c(C)cc1C)c1nn[n-]n1 ZINC001647426439 1168679943 /nfs/dbraw/zinc/67/99/43/1168679943.db2.gz GNVXOHQEVYAVKR-VIFPVBQESA-N -1 1 294.384 1.369 20 0 CDADMM Cc1onc(CN2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c1C(=O)[O-] ZINC001574207974 1170920068 /nfs/dbraw/zinc/92/00/68/1170920068.db2.gz JNOHLIZLKNHREA-OUAUKWLOSA-N -1 1 280.324 1.274 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)[C@H](O)C3CCC3)[nH]c21 ZINC001574414915 1170976488 /nfs/dbraw/zinc/97/64/88/1170976488.db2.gz KLSOCWRDGZZTLD-LLVKDONJSA-N -1 1 289.291 1.361 20 0 CDADMM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1c[n-][nH]c1=O ZINC001651044606 1171282239 /nfs/dbraw/zinc/28/22/39/1171282239.db2.gz QLCRIBQUPSVICM-WPRPVWTQSA-N -1 1 253.302 1.649 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1ccc(Cn2cncn2)cc1 ZINC001654600093 1171622597 /nfs/dbraw/zinc/62/25/97/1171622597.db2.gz OLHZUIQBXVQVIH-UHFFFAOYSA-N -1 1 284.279 1.007 20 0 CDADMM CCC(CC)n1ccc(C(=O)Nc2c[n-][nH]c2=O)n1 ZINC001654603437 1171623926 /nfs/dbraw/zinc/62/39/26/1171623926.db2.gz NSECCRVSSPMQGU-UHFFFAOYSA-N -1 1 263.301 1.925 20 0 CDADMM CCc1nccc(C)c1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001578685870 1171980709 /nfs/dbraw/zinc/98/07/09/1171980709.db2.gz AWYJSBCAPHVMSH-UHFFFAOYSA-N -1 1 298.306 1.978 20 0 CDADMM CCc1nocc1C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001578710541 1171986129 /nfs/dbraw/zinc/98/61/29/1171986129.db2.gz BUPQXXMHTSDUHI-UHFFFAOYSA-N -1 1 299.294 1.089 20 0 CDADMM CCc1nocc1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001578710541 1171986136 /nfs/dbraw/zinc/98/61/36/1171986136.db2.gz BUPQXXMHTSDUHI-UHFFFAOYSA-N -1 1 299.294 1.089 20 0 CDADMM COc1ccc(F)c(CNc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001580032983 1172327351 /nfs/dbraw/zinc/32/73/51/1172327351.db2.gz STLSFCMZBPABDB-UHFFFAOYSA-N -1 1 289.274 1.350 20 0 CDADMM COc1ccc(F)c(CNc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001580032983 1172327360 /nfs/dbraw/zinc/32/73/60/1172327360.db2.gz STLSFCMZBPABDB-UHFFFAOYSA-N -1 1 289.274 1.350 20 0 CDADMM Fc1ccc2c(c1)N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001581855179 1172624594 /nfs/dbraw/zinc/62/45/94/1172624594.db2.gz OYEAXMBAERKVOK-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM O=C(Nc1ccsn1)c1ccsc1-c1nnn[n-]1 ZINC001582649551 1172686055 /nfs/dbraw/zinc/68/60/55/1172686055.db2.gz AMMMFCNGDRUCAN-UHFFFAOYSA-N -1 1 278.322 1.637 20 0 CDADMM O=C(Nc1ccsn1)c1ccsc1-c1nn[n-]n1 ZINC001582649551 1172686058 /nfs/dbraw/zinc/68/60/58/1172686058.db2.gz AMMMFCNGDRUCAN-UHFFFAOYSA-N -1 1 278.322 1.637 20 0 CDADMM O=C(Oc1cccc(F)c1F)c1ccc(-c2nn[n-]n2)o1 ZINC001582657108 1172686688 /nfs/dbraw/zinc/68/66/88/1172686688.db2.gz AQRFTIKWMBWVOD-UHFFFAOYSA-N -1 1 292.201 1.957 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1ccnc(Cl)c1 ZINC001582806710 1172692257 /nfs/dbraw/zinc/69/22/57/1172692257.db2.gz GSOCORKDHNKXAS-UHFFFAOYSA-N -1 1 288.698 1.125 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1cc(Cl)ccn1 ZINC001582805925 1172692731 /nfs/dbraw/zinc/69/27/31/1172692731.db2.gz CFUPRXHXLJFGGT-UHFFFAOYSA-N -1 1 288.698 1.125 20 0 CDADMM C=C/C=C\CCn1cc(C)cc(-c2nn[n-]n2)c1=O ZINC001588529683 1173075519 /nfs/dbraw/zinc/07/55/19/1173075519.db2.gz CSWLNFQLGDXVCV-PLNGDYQASA-N -1 1 257.297 1.469 20 0 CDADMM CC(C)(C)O[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001589198447 1173128959 /nfs/dbraw/zinc/12/89/59/1173128959.db2.gz VSPUEMSXWLLFBO-DTORHVGOSA-N -1 1 289.343 1.415 20 0 CDADMM CC(C)(C)O[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001589198447 1173128967 /nfs/dbraw/zinc/12/89/67/1173128967.db2.gz VSPUEMSXWLLFBO-DTORHVGOSA-N -1 1 289.343 1.415 20 0 CDADMM CC(C)(C)c1cn(Cc2nc(-c3nnn[n-]3)cs2)nn1 ZINC001589232245 1173130111 /nfs/dbraw/zinc/13/01/11/1173130111.db2.gz NJCATTQBMZIYED-UHFFFAOYSA-N -1 1 290.356 1.261 20 0 CDADMM CC(C)(C)c1cn(Cc2nc(-c3nn[n-]n3)cs2)nn1 ZINC001589232245 1173130117 /nfs/dbraw/zinc/13/01/17/1173130117.db2.gz NJCATTQBMZIYED-UHFFFAOYSA-N -1 1 290.356 1.261 20 0 CDADMM CC(C)[C@@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001589501281 1173151630 /nfs/dbraw/zinc/15/16/30/1173151630.db2.gz YNIFKNXFQRXRSH-ONGXEEELSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)[C@@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001589501281 1173151634 /nfs/dbraw/zinc/15/16/34/1173151634.db2.gz YNIFKNXFQRXRSH-ONGXEEELSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)[C@@]1(CO)CCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001589493226 1173151871 /nfs/dbraw/zinc/15/18/71/1173151871.db2.gz BSRGSQCQWVLSIS-AWEZNQCLSA-N -1 1 288.355 1.107 20 0 CDADMM CC(C)[C@@]1(CO)CCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001589493226 1173151875 /nfs/dbraw/zinc/15/18/75/1173151875.db2.gz BSRGSQCQWVLSIS-AWEZNQCLSA-N -1 1 288.355 1.107 20 0 CDADMM C[C@H](CC1CCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001589801057 1173184731 /nfs/dbraw/zinc/18/47/31/1173184731.db2.gz HBQZXOIOZVANPT-MRVPVSSYSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@H](CC1CCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001589801057 1173184736 /nfs/dbraw/zinc/18/47/36/1173184736.db2.gz HBQZXOIOZVANPT-MRVPVSSYSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@H](C[C@@H]1CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589804136 1173185417 /nfs/dbraw/zinc/18/54/17/1173185417.db2.gz XFFBHUDIVWMRRK-BDAKNGLRSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@H](C[C@@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589804136 1173185419 /nfs/dbraw/zinc/18/54/19/1173185419.db2.gz XFFBHUDIVWMRRK-BDAKNGLRSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@H](CCO)[N@@H+](C)Cc1cc(-c2nn[nH]n2)cnc1Cl ZINC001589835583 1173190236 /nfs/dbraw/zinc/19/02/36/1173190236.db2.gz XCQVGKCUKMCMPO-MRVPVSSYSA-N -1 1 296.762 1.118 20 0 CDADMM C[C@H](CNC(=O)c1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001589864890 1173190678 /nfs/dbraw/zinc/19/06/78/1173190678.db2.gz QGHWEYWLDBNYCJ-MRVPVSSYSA-N -1 1 289.314 1.782 20 0 CDADMM C[C@H](CNC(=O)c1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001589864890 1173190684 /nfs/dbraw/zinc/19/06/84/1173190684.db2.gz QGHWEYWLDBNYCJ-MRVPVSSYSA-N -1 1 289.314 1.782 20 0 CDADMM C[C@H](CNc1cccc(-c2nnn[n-]2)n1)c1ccccn1 ZINC001589876977 1173192373 /nfs/dbraw/zinc/19/23/73/1173192373.db2.gz BXGDDEHNVOCJNL-SNVBAGLBSA-N -1 1 281.323 1.872 20 0 CDADMM C[C@H](CNc1cccc(-c2nn[n-]n2)n1)c1ccccn1 ZINC001589876977 1173192381 /nfs/dbraw/zinc/19/23/81/1173192381.db2.gz BXGDDEHNVOCJNL-SNVBAGLBSA-N -1 1 281.323 1.872 20 0 CDADMM C[C@@H](Cn1cnc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001589903416 1173200476 /nfs/dbraw/zinc/20/04/76/1173200476.db2.gz BRJFSRNCCIEHER-VIFPVBQESA-N -1 1 261.333 1.675 20 0 CDADMM C[C@H](F)CCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001589912370 1173203021 /nfs/dbraw/zinc/20/30/21/1173203021.db2.gz WCENBHSPFZXNLG-QMMMGPOBSA-N -1 1 287.302 1.970 20 0 CDADMM C[C@H](F)CCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001589912370 1173203028 /nfs/dbraw/zinc/20/30/28/1173203028.db2.gz WCENBHSPFZXNLG-QMMMGPOBSA-N -1 1 287.302 1.970 20 0 CDADMM C[C@@H](N(C)c1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001589911167 1173204024 /nfs/dbraw/zinc/20/40/24/1173204024.db2.gz BZWQZWXHEHYQIW-MRVPVSSYSA-N -1 1 261.333 1.528 20 0 CDADMM CC1(C)CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)O1 ZINC001590091352 1173252995 /nfs/dbraw/zinc/25/29/95/1173252995.db2.gz UMOVFVIEYLJURY-QMMMGPOBSA-N -1 1 275.316 1.026 20 0 CDADMM CC1(C)CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)O1 ZINC001590091352 1173252999 /nfs/dbraw/zinc/25/29/99/1173252999.db2.gz UMOVFVIEYLJURY-QMMMGPOBSA-N -1 1 275.316 1.026 20 0 CDADMM CC1(C2CC2)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001590122157 1173261267 /nfs/dbraw/zinc/26/12/67/1173261267.db2.gz OUXIQNCJNYCUGL-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM CC1(C2CC2)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001590122157 1173261273 /nfs/dbraw/zinc/26/12/73/1173261273.db2.gz OUXIQNCJNYCUGL-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM CC1(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)CCC1 ZINC001590144109 1173272294 /nfs/dbraw/zinc/27/22/94/1173272294.db2.gz BEOLMXQZKOZLDT-UHFFFAOYSA-N -1 1 293.356 1.065 20 0 CDADMM CC1(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)CCC1 ZINC001590144109 1173272290 /nfs/dbraw/zinc/27/22/90/1173272290.db2.gz BEOLMXQZKOZLDT-UHFFFAOYSA-N -1 1 293.356 1.065 20 0 CDADMM C[C@H]1[C@@H](C(F)(F)F)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001590167310 1173282365 /nfs/dbraw/zinc/28/23/65/1173282365.db2.gz MENYKVBITIQQSS-BQBZGAKWSA-N -1 1 299.260 1.434 20 0 CDADMM C[C@@H]1C[C@@H](NC(=O)c2ccsc2-c2nnn[n-]2)CS1 ZINC001590203163 1173290322 /nfs/dbraw/zinc/29/03/22/1173290322.db2.gz NNBMOXIQYWFFQF-RNFRBKRXSA-N -1 1 295.393 1.552 20 0 CDADMM C[C@@H]1C[C@@H](NC(=O)c2ccsc2-c2nn[n-]n2)CS1 ZINC001590203163 1173290325 /nfs/dbraw/zinc/29/03/25/1173290325.db2.gz NNBMOXIQYWFFQF-RNFRBKRXSA-N -1 1 295.393 1.552 20 0 CDADMM C[C@H]1C[C@H]1c1ccc(CNc2cnc(-c3nnn[n-]3)cn2)o1 ZINC001590217204 1173297671 /nfs/dbraw/zinc/29/76/71/1173297671.db2.gz AICBGROZBPOMCA-WCBMZHEXSA-N -1 1 297.322 1.985 20 0 CDADMM C[C@H]1C[C@H]1c1ccc(CNc2cnc(-c3nn[n-]n3)cn2)o1 ZINC001590217204 1173297675 /nfs/dbraw/zinc/29/76/75/1173297675.db2.gz AICBGROZBPOMCA-WCBMZHEXSA-N -1 1 297.322 1.985 20 0 CDADMM C[C@H]1CC2(CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)CO1 ZINC001590222886 1173300006 /nfs/dbraw/zinc/30/00/06/1173300006.db2.gz LKUZOXSTCYWSIG-BVDKZHGWSA-N -1 1 287.327 1.026 20 0 CDADMM C[C@H]1CC2(CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)CO1 ZINC001590222886 1173300014 /nfs/dbraw/zinc/30/00/14/1173300014.db2.gz LKUZOXSTCYWSIG-BVDKZHGWSA-N -1 1 287.327 1.026 20 0 CDADMM C[C@@H]1CC2(CC(Nc3cncc(-c4nnn[n-]4)n3)C2)CO1 ZINC001590221774 1173302582 /nfs/dbraw/zinc/30/25/82/1173302582.db2.gz HEEFFCCEKQMVAW-BGQFSCJGSA-N -1 1 287.327 1.026 20 0 CDADMM C[C@@H]1CC2(CC(Nc3cncc(-c4nn[n-]n4)n3)C2)CO1 ZINC001590221774 1173302590 /nfs/dbraw/zinc/30/25/90/1173302590.db2.gz HEEFFCCEKQMVAW-BGQFSCJGSA-N -1 1 287.327 1.026 20 0 CDADMM C[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)CCC1=O ZINC001590316902 1173352987 /nfs/dbraw/zinc/35/29/87/1173352987.db2.gz RYPHXMDZEZCBRW-RXMQYKEDSA-N -1 1 298.759 1.392 20 0 CDADMM C/C=C(/C)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001590349650 1173368814 /nfs/dbraw/zinc/36/88/14/1173368814.db2.gz KTCBUJQQVSYIJQ-UTCJRWHESA-N -1 1 265.298 1.333 20 0 CDADMM C/C=C(/C)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001590349650 1173368815 /nfs/dbraw/zinc/36/88/15/1173368815.db2.gz KTCBUJQQVSYIJQ-UTCJRWHESA-N -1 1 265.298 1.333 20 0 CDADMM CCC(C)(C)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590377205 1173379349 /nfs/dbraw/zinc/37/93/49/1173379349.db2.gz UMWOIMFGPLLNTP-UHFFFAOYSA-N -1 1 260.301 1.180 20 0 CDADMM CCC(C)(C)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590377205 1173379352 /nfs/dbraw/zinc/37/93/52/1173379352.db2.gz UMWOIMFGPLLNTP-UHFFFAOYSA-N -1 1 260.301 1.180 20 0 CDADMM CC[C@@H](C)OCC(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001590416514 1173401924 /nfs/dbraw/zinc/40/19/24/1173401924.db2.gz NJCYMXYIHFEYCT-MRVPVSSYSA-N -1 1 296.352 1.787 20 0 CDADMM CC[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001590505297 1173438927 /nfs/dbraw/zinc/43/89/27/1173438927.db2.gz OWTWXMBQAHHCIS-DTWKUNHWSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001590505297 1173438931 /nfs/dbraw/zinc/43/89/31/1173438931.db2.gz OWTWXMBQAHHCIS-DTWKUNHWSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@H]1CCCN(c2cc(-c3nnn[n-]3)nc(C)n2)C1 ZINC001590512077 1173442746 /nfs/dbraw/zinc/44/27/46/1173442746.db2.gz CNHZSMTZFJXFLA-JTQLQIEISA-N -1 1 273.344 1.592 20 0 CDADMM CC[C@H]1CCCN(c2cc(-c3nn[n-]n3)nc(C)n2)C1 ZINC001590512077 1173442750 /nfs/dbraw/zinc/44/27/50/1173442750.db2.gz CNHZSMTZFJXFLA-JTQLQIEISA-N -1 1 273.344 1.592 20 0 CDADMM CC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001590515224 1173444728 /nfs/dbraw/zinc/44/47/28/1173444728.db2.gz ZKOSRYLGBVFEGY-RKDXNWHRSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001590515224 1173444735 /nfs/dbraw/zinc/44/47/35/1173444735.db2.gz ZKOSRYLGBVFEGY-RKDXNWHRSA-N -1 1 259.317 1.282 20 0 CDADMM CCC1CCN(Cn2cccc(-c3nn[n-]n3)c2=O)CC1 ZINC001590514834 1173446543 /nfs/dbraw/zinc/44/65/43/1173446543.db2.gz OJKQGDVDHXNSSJ-UHFFFAOYSA-N -1 1 288.355 1.108 20 0 CDADMM CCNc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001590748157 1173504136 /nfs/dbraw/zinc/50/41/36/1173504136.db2.gz INZJGFZWVYTLJS-UHFFFAOYSA-N -1 1 283.299 1.227 20 0 CDADMM CCn1nc(C)cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590964922 1173552763 /nfs/dbraw/zinc/55/27/63/1173552763.db2.gz QKVHWSYIPBGALM-UHFFFAOYSA-N -1 1 298.310 1.039 20 0 CDADMM CCn1nc(C)cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590964922 1173552768 /nfs/dbraw/zinc/55/27/68/1173552768.db2.gz QKVHWSYIPBGALM-UHFFFAOYSA-N -1 1 298.310 1.039 20 0 CDADMM CO[C@H](CNc1cc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001591328998 1173613183 /nfs/dbraw/zinc/61/31/83/1173613183.db2.gz NYXXKSWRACVGGR-LLVKDONJSA-N -1 1 276.344 1.653 20 0 CDADMM CO[C@H](CNc1cc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001591328998 1173613185 /nfs/dbraw/zinc/61/31/85/1173613185.db2.gz NYXXKSWRACVGGR-LLVKDONJSA-N -1 1 276.344 1.653 20 0 CDADMM CO[C@@H]1C[C@H](Nc2ccc(C)nc2-c2nnn[n-]2)C1(C)C ZINC001591349003 1173623145 /nfs/dbraw/zinc/62/31/45/1173623145.db2.gz BWUXUJWKHSWJEF-WDEREUQCSA-N -1 1 288.355 1.796 20 0 CDADMM CO[C@@H]1C[C@H](Nc2ccc(C)nc2-c2nn[n-]n2)C1(C)C ZINC001591349003 1173623149 /nfs/dbraw/zinc/62/31/49/1173623149.db2.gz BWUXUJWKHSWJEF-WDEREUQCSA-N -1 1 288.355 1.796 20 0 CDADMM COCC1(CNc2nc(C)cc(-c3nnn[n-]3)n2)CCC1 ZINC001591389692 1173642444 /nfs/dbraw/zinc/64/24/44/1173642444.db2.gz SFGQUYIBZMLUMA-UHFFFAOYSA-N -1 1 289.343 1.194 20 0 CDADMM COCc1ccccc1CNc1cncc(-c2nnn[n-]2)n1 ZINC001591458736 1173654059 /nfs/dbraw/zinc/65/40/59/1173654059.db2.gz APQKJGWFGXCBQE-UHFFFAOYSA-N -1 1 297.322 1.415 20 0 CDADMM COCc1ccccc1CNc1cncc(-c2nn[n-]n2)n1 ZINC001591458736 1173654065 /nfs/dbraw/zinc/65/40/65/1173654065.db2.gz APQKJGWFGXCBQE-UHFFFAOYSA-N -1 1 297.322 1.415 20 0 CDADMM CO[C@H]1C[C@@H](CNC(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001591473310 1173657798 /nfs/dbraw/zinc/65/77/98/1173657798.db2.gz ZHVSOXQGZGUFKF-OCAPTIKFSA-N -1 1 293.352 1.083 20 0 CDADMM CO[C@H]1C[C@@H](CNC(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001591473310 1173657802 /nfs/dbraw/zinc/65/78/02/1173657802.db2.gz ZHVSOXQGZGUFKF-OCAPTIKFSA-N -1 1 293.352 1.083 20 0 CDADMM COc1cccc(CNc2ncncc2-c2nn[n-]n2)c1C ZINC001591640300 1173675620 /nfs/dbraw/zinc/67/56/20/1173675620.db2.gz SWYSCWQQSHIIAP-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCC2CC2)n1 ZINC001591883421 1173736313 /nfs/dbraw/zinc/73/63/13/1173736313.db2.gz JXYPVTFVMSYLPH-UHFFFAOYSA-N -1 1 259.317 1.201 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCC2CC2)n1 ZINC001591883421 1173736319 /nfs/dbraw/zinc/73/63/19/1173736319.db2.gz JXYPVTFVMSYLPH-UHFFFAOYSA-N -1 1 259.317 1.201 20 0 CDADMM Cc1ccc(CCNc2nc(C)cc(-c3nnn[n-]3)n2)o1 ZINC001591899293 1173743416 /nfs/dbraw/zinc/74/34/16/1173743416.db2.gz DTIMPCPZBHYKAD-UHFFFAOYSA-N -1 1 285.311 1.521 20 0 CDADMM Cc1ccc(CCNc2nc(C)cc(-c3nn[n-]n3)n2)o1 ZINC001591899293 1173743421 /nfs/dbraw/zinc/74/34/21/1173743421.db2.gz DTIMPCPZBHYKAD-UHFFFAOYSA-N -1 1 285.311 1.521 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H](C)F)n1 ZINC001591897049 1173744697 /nfs/dbraw/zinc/74/46/97/1173744697.db2.gz WXBOYNNKJXNJHA-ZCFIWIBFSA-N -1 1 251.269 1.125 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H](C)F)n1 ZINC001591897049 1173744702 /nfs/dbraw/zinc/74/47/02/1173744702.db2.gz WXBOYNNKJXNJHA-ZCFIWIBFSA-N -1 1 251.269 1.125 20 0 CDADMM Cc1cc(CNc2ccc(C)c(-c3nnn[n-]3)n2)n(C)n1 ZINC001591970842 1173762571 /nfs/dbraw/zinc/76/25/71/1173762571.db2.gz RADSBBQQCUWSKS-UHFFFAOYSA-N -1 1 284.327 1.224 20 0 CDADMM Cc1cc(CNc2ccc(C)c(-c3nn[n-]n3)n2)n(C)n1 ZINC001591970842 1173762577 /nfs/dbraw/zinc/76/25/77/1173762577.db2.gz RADSBBQQCUWSKS-UHFFFAOYSA-N -1 1 284.327 1.224 20 0 CDADMM Cc1cc(CNc2nc(-c3nn[n-]n3)ccc2C)no1 ZINC001591970400 1173763062 /nfs/dbraw/zinc/76/30/62/1173763062.db2.gz GEQKCPSKLMRPPI-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1cc(N2CCC[C@H]([C@H](C)O)C2)cc(-c2nnn[n-]2)n1 ZINC001592005085 1173771080 /nfs/dbraw/zinc/77/10/80/1173771080.db2.gz RLAGVPYCGNAHKM-QWRGUYRKSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(N2CCC[C@H]([C@H](C)O)C2)cc(-c2nn[n-]n2)n1 ZINC001592005085 1173771083 /nfs/dbraw/zinc/77/10/83/1173771083.db2.gz RLAGVPYCGNAHKM-QWRGUYRKSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cc(C)ncn1 ZINC001592029271 1173776954 /nfs/dbraw/zinc/77/69/54/1173776954.db2.gz GYXWKRDUIARQCP-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cc(C)ncn1 ZINC001592029271 1173776957 /nfs/dbraw/zinc/77/69/57/1173776957.db2.gz GYXWKRDUIARQCP-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1cc(NC[C@@]2(C)CCCCO2)cc(-c2nnn[n-]2)n1 ZINC001592041951 1173783636 /nfs/dbraw/zinc/78/36/36/1173783636.db2.gz YLZCNQSPXGWTIU-CQSZACIVSA-N -1 1 288.355 1.941 20 0 CDADMM Cc1cc(NC[C@@]2(C)CCCCO2)cc(-c2nn[n-]n2)n1 ZINC001592041951 1173783639 /nfs/dbraw/zinc/78/36/39/1173783639.db2.gz YLZCNQSPXGWTIU-CQSZACIVSA-N -1 1 288.355 1.941 20 0 CDADMM Cc1cc(NCc2cc(-c3nn[nH]n3)cs2)nc(C)[nH+]1 ZINC001592052414 1173787233 /nfs/dbraw/zinc/78/72/33/1173787233.db2.gz JZZMHUWBGIXIHB-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1ccc(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)s1 ZINC001592129496 1173808585 /nfs/dbraw/zinc/80/85/85/1173808585.db2.gz HGMVDFZIAJUPEG-UHFFFAOYSA-N -1 1 289.324 1.520 20 0 CDADMM Cc1ccc(NC2C[C@@H](C)O[C@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001592184022 1173827858 /nfs/dbraw/zinc/82/78/58/1173827858.db2.gz OLADNCLZDHNHSN-NXEZZACHSA-N -1 1 288.355 1.938 20 0 CDADMM Cc1ccc(NC2C[C@@H](C)O[C@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001592184022 1173827860 /nfs/dbraw/zinc/82/78/60/1173827860.db2.gz OLADNCLZDHNHSN-NXEZZACHSA-N -1 1 288.355 1.938 20 0 CDADMM Cc1ccc(NCC(C)(C)C[C@H](C)O)nc1-c1nnn[n-]1 ZINC001592183584 1173828102 /nfs/dbraw/zinc/82/81/02/1173828102.db2.gz UVKSPCRWBDQNQL-JTQLQIEISA-N -1 1 290.371 1.779 20 0 CDADMM Cc1ccc(NCC(C)(C)C[C@H](C)O)nc1-c1nn[n-]n1 ZINC001592183584 1173828107 /nfs/dbraw/zinc/82/81/07/1173828107.db2.gz UVKSPCRWBDQNQL-JTQLQIEISA-N -1 1 290.371 1.779 20 0 CDADMM Cc1ccc(NCCC(F)(F)F)c(-c2nnn[n-]2)n1 ZINC001592183701 1173829227 /nfs/dbraw/zinc/82/92/27/1173829227.db2.gz VFCFMNKHCIKBCU-UHFFFAOYSA-N -1 1 272.234 1.934 20 0 CDADMM Cc1ccc(NCCC(F)(F)F)c(-c2nn[n-]n2)n1 ZINC001592183701 1173829231 /nfs/dbraw/zinc/82/92/31/1173829231.db2.gz VFCFMNKHCIKBCU-UHFFFAOYSA-N -1 1 272.234 1.934 20 0 CDADMM Cc1[nH]nc(NC(=O)c2ccccc2C)c1-c1nn[n-]n1 ZINC001592249968 1173836640 /nfs/dbraw/zinc/83/66/40/1173836640.db2.gz NWWQIWAOWYJDIV-UHFFFAOYSA-N -1 1 283.295 1.459 20 0 CDADMM Cc1ccn(CC2CC(C)C2)c(=O)c1-c1nn[n-]n1 ZINC001592266201 1173839144 /nfs/dbraw/zinc/83/91/44/1173839144.db2.gz QLEBBFFCIDEYNL-UHFFFAOYSA-N -1 1 259.313 1.383 20 0 CDADMM Cc1n[nH]c(C)c1CCNc1ccnc(-c2nnn[n-]2)c1 ZINC001592325502 1173853900 /nfs/dbraw/zinc/85/39/00/1173853900.db2.gz QIMUGUBEIZRDRT-UHFFFAOYSA-N -1 1 284.327 1.256 20 0 CDADMM Cc1n[nH]c(C)c1CCNc1ccnc(-c2nn[n-]n2)c1 ZINC001592325502 1173853905 /nfs/dbraw/zinc/85/39/05/1173853905.db2.gz QIMUGUBEIZRDRT-UHFFFAOYSA-N -1 1 284.327 1.256 20 0 CDADMM Cc1nc(C)c(COc2cnc(-c3nn[n-]n3)nc2)s1 ZINC001592357152 1173868057 /nfs/dbraw/zinc/86/80/57/1173868057.db2.gz FDKMGJILOYHMJV-UHFFFAOYSA-N -1 1 289.324 1.309 20 0 CDADMM Cc1nc(Cn2c(C)c(C)nc2-c2nnn[n-]2)cs1 ZINC001592362996 1173868584 /nfs/dbraw/zinc/86/85/84/1173868584.db2.gz OLCLIFTYIWOGPW-UHFFFAOYSA-N -1 1 275.341 1.493 20 0 CDADMM Cc1nc(Cn2c(C)c(C)nc2-c2nn[n-]n2)cs1 ZINC001592362996 1173868589 /nfs/dbraw/zinc/86/85/89/1173868589.db2.gz OLCLIFTYIWOGPW-UHFFFAOYSA-N -1 1 275.341 1.493 20 0 CDADMM Cc1nn(C)c(OCc2ccc(-c3nnn[n-]3)o2)c1C ZINC001592433156 1173887175 /nfs/dbraw/zinc/88/71/75/1173887175.db2.gz SZATWUIEEZHMSZ-UHFFFAOYSA-N -1 1 274.284 1.389 20 0 CDADMM Cc1nn(C)c(OCc2ccc(-c3nn[n-]n3)o2)c1C ZINC001592433156 1173887180 /nfs/dbraw/zinc/88/71/80/1173887180.db2.gz SZATWUIEEZHMSZ-UHFFFAOYSA-N -1 1 274.284 1.389 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@H]2CC[C@@H](C)C2)c1-c1nnn[n-]1 ZINC001592434036 1173888065 /nfs/dbraw/zinc/88/80/65/1173888065.db2.gz NKULMLCTUURJGU-APPZFPTMSA-N -1 1 289.343 1.283 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@H]2CC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001592434036 1173888068 /nfs/dbraw/zinc/88/80/68/1173888068.db2.gz NKULMLCTUURJGU-APPZFPTMSA-N -1 1 289.343 1.283 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CS[C@H](C)C1 ZINC001592503903 1173908255 /nfs/dbraw/zinc/90/82/55/1173908255.db2.gz ZOZFQNKDWCOFHH-SVRRBLITSA-N -1 1 293.352 1.392 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CS[C@H](C)C1 ZINC001592503903 1173908258 /nfs/dbraw/zinc/90/82/58/1173908258.db2.gz ZOZFQNKDWCOFHH-SVRRBLITSA-N -1 1 293.352 1.392 20 0 CDADMM FC(F)n1ccnc1COc1cccnc1-c1nnn[n-]1 ZINC001592627871 1173936113 /nfs/dbraw/zinc/93/61/13/1173936113.db2.gz NXYKUUBXRLFGOZ-UHFFFAOYSA-N -1 1 293.237 1.432 20 0 CDADMM FC(F)n1ccnc1COc1cccnc1-c1nn[n-]n1 ZINC001592627871 1173936121 /nfs/dbraw/zinc/93/61/21/1173936121.db2.gz NXYKUUBXRLFGOZ-UHFFFAOYSA-N -1 1 293.237 1.432 20 0 CDADMM Fc1cccc2c1CC[C@H]2Nc1cc(-c2nnn[n-]2)ncn1 ZINC001592660797 1173956854 /nfs/dbraw/zinc/95/68/54/1173956854.db2.gz ICMWHJYQWZHJQU-LLVKDONJSA-N -1 1 297.297 1.895 20 0 CDADMM Fc1cccc2c1CC[C@H]2Nc1cc(-c2nn[n-]n2)ncn1 ZINC001592660797 1173956860 /nfs/dbraw/zinc/95/68/60/1173956860.db2.gz ICMWHJYQWZHJQU-LLVKDONJSA-N -1 1 297.297 1.895 20 0 CDADMM O=C(CC[C@H]1CCOC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592833699 1173993696 /nfs/dbraw/zinc/99/36/96/1173993696.db2.gz QSIYAFVIEKMCOR-VIFPVBQESA-N -1 1 288.311 1.017 20 0 CDADMM O=C(CC[C@H]1CCOC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592833699 1173993701 /nfs/dbraw/zinc/99/37/01/1173993701.db2.gz QSIYAFVIEKMCOR-VIFPVBQESA-N -1 1 288.311 1.017 20 0 CDADMM O=C(CC1CCCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592819409 1173993831 /nfs/dbraw/zinc/99/38/31/1173993831.db2.gz JEXUFNQHASUBPB-UHFFFAOYSA-N -1 1 272.312 1.781 20 0 CDADMM O=C(CC1CCCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592819409 1173993841 /nfs/dbraw/zinc/99/38/41/1173993841.db2.gz JEXUFNQHASUBPB-UHFFFAOYSA-N -1 1 272.312 1.781 20 0 CDADMM O=C(CC1CCCCC1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592820243 1173994947 /nfs/dbraw/zinc/99/49/47/1173994947.db2.gz OSQWUMWAXPKBMA-UHFFFAOYSA-N -1 1 275.316 1.499 20 0 CDADMM O=C(CCC1CC1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592828878 1173995460 /nfs/dbraw/zinc/99/54/60/1173995460.db2.gz GHIARZFTZRBORJ-UHFFFAOYSA-N -1 1 277.353 1.735 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H](C2CC2)C1 ZINC001592913420 1174002081 /nfs/dbraw/zinc/00/20/81/1174002081.db2.gz HDKSMJQZRNOADK-GFCCVEGCSA-N -1 1 298.350 1.063 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H](C2CC2)C1 ZINC001592913420 1174002089 /nfs/dbraw/zinc/00/20/89/1174002089.db2.gz HDKSMJQZRNOADK-GFCCVEGCSA-N -1 1 298.350 1.063 20 0 CDADMM O=C(N[C@@H]1CCCC1(F)F)c1cccc(-c2nnn[n-]2)n1 ZINC001592978575 1174011040 /nfs/dbraw/zinc/01/10/40/1174011040.db2.gz ONNQPCDCSSPWMF-SECBINFHSA-N -1 1 294.265 1.179 20 0 CDADMM O=C(N[C@@H]1CCCC1(F)F)c1cccc(-c2nn[n-]n2)n1 ZINC001592978575 1174011044 /nfs/dbraw/zinc/01/10/44/1174011044.db2.gz ONNQPCDCSSPWMF-SECBINFHSA-N -1 1 294.265 1.179 20 0 CDADMM O=C(NCCc1ccccc1)c1ccsc1-c1nnn[n-]1 ZINC001593106472 1174019851 /nfs/dbraw/zinc/01/98/51/1174019851.db2.gz OLVCRTFSABINTP-UHFFFAOYSA-N -1 1 299.359 1.901 20 0 CDADMM O=C(NCCc1ccccc1)c1ccsc1-c1nn[n-]n1 ZINC001593106472 1174019859 /nfs/dbraw/zinc/01/98/59/1174019859.db2.gz OLVCRTFSABINTP-UHFFFAOYSA-N -1 1 299.359 1.901 20 0 CDADMM O=C(NOCC1CCC1)c1ccc(-c2nnn[n-]2)s1 ZINC001593169258 1174030432 /nfs/dbraw/zinc/03/04/32/1174030432.db2.gz OCPLZVJGIVDGGB-UHFFFAOYSA-N -1 1 279.325 1.390 20 0 CDADMM O=C(NOCC1CCC1)c1ccc(-c2nn[n-]n2)s1 ZINC001593169258 1174030438 /nfs/dbraw/zinc/03/04/38/1174030438.db2.gz OCPLZVJGIVDGGB-UHFFFAOYSA-N -1 1 279.325 1.390 20 0 CDADMM O=C(Nc1ccc(F)cn1)c1ccc(-c2nnn[n-]2)o1 ZINC001593234545 1174036615 /nfs/dbraw/zinc/03/66/15/1174036615.db2.gz IAPSJYBWNLSYIE-UHFFFAOYSA-N -1 1 274.215 1.246 20 0 CDADMM O=C(Nc1ccc(F)cn1)c1ccc(-c2nn[n-]n2)o1 ZINC001593234545 1174036624 /nfs/dbraw/zinc/03/66/24/1174036624.db2.gz IAPSJYBWNLSYIE-UHFFFAOYSA-N -1 1 274.215 1.246 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1CCCC12CC2 ZINC001593244382 1174041208 /nfs/dbraw/zinc/04/12/08/1174041208.db2.gz QNINUKNWRQRXKX-SNVBAGLBSA-N -1 1 299.338 1.716 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1CCCC12CC2 ZINC001593244382 1174041216 /nfs/dbraw/zinc/04/12/16/1174041216.db2.gz QNINUKNWRQRXKX-SNVBAGLBSA-N -1 1 299.338 1.716 20 0 CDADMM O=C(OCc1ccncc1)c1sccc1-c1nn[n-]n1 ZINC001593302152 1174059523 /nfs/dbraw/zinc/05/95/23/1174059523.db2.gz QTGLNLYINSMWAS-UHFFFAOYSA-N -1 1 287.304 1.680 20 0 CDADMM O=C(OCc1ccno1)c1sccc1-c1nn[n-]n1 ZINC001593302589 1174060355 /nfs/dbraw/zinc/06/03/55/1174060355.db2.gz DAFDSHCQLHAYHR-UHFFFAOYSA-N -1 1 277.265 1.273 20 0 CDADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@H]2C[C@H]2C1 ZINC001593350080 1174067747 /nfs/dbraw/zinc/06/77/47/1174067747.db2.gz HKJOYBZPVKTADY-IUCAKERBSA-N -1 1 287.298 1.488 20 0 CDADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@H]2C[C@H]2C1 ZINC001593350080 1174067751 /nfs/dbraw/zinc/06/77/51/1174067751.db2.gz HKJOYBZPVKTADY-IUCAKERBSA-N -1 1 287.298 1.488 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1ncc[nH]1 ZINC001593367778 1174069997 /nfs/dbraw/zinc/06/99/97/1174069997.db2.gz PLBFIMKXTMZSBZ-SECBINFHSA-N -1 1 299.294 1.160 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1ncc[nH]1 ZINC001593367778 1174070001 /nfs/dbraw/zinc/07/00/01/1174070001.db2.gz PLBFIMKXTMZSBZ-SECBINFHSA-N -1 1 299.294 1.160 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1CCOCc1ccccc1 ZINC001593493071 1174086396 /nfs/dbraw/zinc/08/63/96/1174086396.db2.gz WUZGUVKQPKYTOU-UHFFFAOYSA-N -1 1 297.318 1.245 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001593492274 1174086944 /nfs/dbraw/zinc/08/69/44/1174086944.db2.gz FJFCOIHJMICRPD-MXWKQRLJSA-N -1 1 271.324 1.465 20 0 CDADMM O=c1c(-c2nn[n-]n2)c2c(cn1CCC(F)(F)F)CCC2 ZINC001593492575 1174087623 /nfs/dbraw/zinc/08/76/23/1174087623.db2.gz TWYBLPVYCMEYRN-UHFFFAOYSA-N -1 1 299.256 1.470 20 0 CDADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1CCCCF ZINC001593494376 1174087938 /nfs/dbraw/zinc/08/79/38/1174087938.db2.gz LJYBRGSKVGVCPS-UHFFFAOYSA-N -1 1 287.298 1.931 20 0 CDADMM OCc1ccnc(-c2ccsc2-c2nnn[n-]2)c1 ZINC001593536098 1174109917 /nfs/dbraw/zinc/10/99/17/1174109917.db2.gz QUZVKPMRYYUCOQ-UHFFFAOYSA-N -1 1 259.294 1.483 20 0 CDADMM OCc1ccnc(-c2ccsc2-c2nn[n-]n2)c1 ZINC001593536098 1174109926 /nfs/dbraw/zinc/10/99/26/1174109926.db2.gz QUZVKPMRYYUCOQ-UHFFFAOYSA-N -1 1 259.294 1.483 20 0 CDADMM c1c(NC[C@@H]2CCCO2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543237 1174112749 /nfs/dbraw/zinc/11/27/49/1174112749.db2.gz HGPKTSIZOMZCJT-VIFPVBQESA-N -1 1 287.327 1.125 20 0 CDADMM c1c(NC[C@@H]2CCCO2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543237 1174112755 /nfs/dbraw/zinc/11/27/55/1174112755.db2.gz HGPKTSIZOMZCJT-VIFPVBQESA-N -1 1 287.327 1.125 20 0 CDADMM c1cc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)co1 ZINC001593554325 1174128762 /nfs/dbraw/zinc/12/87/62/1174128762.db2.gz PCUYCYWTRBCLQO-UHFFFAOYSA-N -1 1 271.284 1.672 20 0 CDADMM c1cc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)co1 ZINC001593554325 1174128766 /nfs/dbraw/zinc/12/87/66/1174128766.db2.gz PCUYCYWTRBCLQO-UHFFFAOYSA-N -1 1 271.284 1.672 20 0 CDADMM c1ccc(C[C@@H]2C[C@H]2Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001593571585 1174143390 /nfs/dbraw/zinc/14/33/90/1174143390.db2.gz AUSJSELEIHABNR-VXGBXAGGSA-N -1 1 293.334 1.700 20 0 CDADMM c1ccc(C[C@@H]2C[C@H]2Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001593571585 1174143394 /nfs/dbraw/zinc/14/33/94/1174143394.db2.gz AUSJSELEIHABNR-VXGBXAGGSA-N -1 1 293.334 1.700 20 0 CDADMM c1ccc([C@H]2CCN(c3cccnc3-c3nnn[n-]3)C2)nc1 ZINC001593573093 1174146198 /nfs/dbraw/zinc/14/61/98/1174146198.db2.gz KVBKMIMUUHJMRH-NSHDSACASA-N -1 1 293.334 1.651 20 0 CDADMM c1ccc([C@H]2CCN(c3cccnc3-c3nn[n-]n3)C2)nc1 ZINC001593573093 1174146204 /nfs/dbraw/zinc/14/62/04/1174146204.db2.gz KVBKMIMUUHJMRH-NSHDSACASA-N -1 1 293.334 1.651 20 0 CDADMM c1cn(C[C@@H]2CC3CCC2CC3)c(-c2nnn[n-]2)n1 ZINC001593582297 1174147373 /nfs/dbraw/zinc/14/73/73/1174147373.db2.gz LVKVAEMGXXIJOD-ILDUYXDCSA-N -1 1 258.329 1.890 20 0 CDADMM c1cn(C[C@@H]2CC3CCC2CC3)c(-c2nn[n-]n2)n1 ZINC001593582297 1174147375 /nfs/dbraw/zinc/14/73/75/1174147375.db2.gz LVKVAEMGXXIJOD-ILDUYXDCSA-N -1 1 258.329 1.890 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OCCC2SCCS2)c1 ZINC001593584163 1174150995 /nfs/dbraw/zinc/15/09/95/1174150995.db2.gz IFWZCEBJNLYOOD-UHFFFAOYSA-N -1 1 295.393 1.837 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OCCC2SCCS2)c1 ZINC001593584163 1174150998 /nfs/dbraw/zinc/15/09/98/1174150998.db2.gz IFWZCEBJNLYOOD-UHFFFAOYSA-N -1 1 295.393 1.837 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001593590343 1174156793 /nfs/dbraw/zinc/15/67/93/1174156793.db2.gz OUKNVHQDZINOAJ-WCABBAIRSA-N -1 1 287.327 1.026 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001593590343 1174156798 /nfs/dbraw/zinc/15/67/98/1174156798.db2.gz OUKNVHQDZINOAJ-WCABBAIRSA-N -1 1 287.327 1.026 20 0 CDADMM c1oc(-c2nnn[n-]2)cc1-c1nc(C[C@@H]2CCCO2)no1 ZINC001593594759 1174162448 /nfs/dbraw/zinc/16/24/48/1174162448.db2.gz WYUIQLHOQQDVCL-QMMMGPOBSA-N -1 1 288.267 1.231 20 0 CDADMM c1oc(-c2nn[n-]n2)cc1-c1nc(C[C@@H]2CCCO2)no1 ZINC001593594759 1174162453 /nfs/dbraw/zinc/16/24/53/1174162453.db2.gz WYUIQLHOQQDVCL-QMMMGPOBSA-N -1 1 288.267 1.231 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001593594971 1174165542 /nfs/dbraw/zinc/16/55/42/1174165542.db2.gz KPMQMRRWDMPVSL-KXUCPTDWSA-N -1 1 271.328 1.505 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001593594971 1174165546 /nfs/dbraw/zinc/16/55/46/1174165546.db2.gz KPMQMRRWDMPVSL-KXUCPTDWSA-N -1 1 271.328 1.505 20 0 CDADMM Cc1cc([C@@H](C)N(C)C[C@H]2COCCO2)oc1C(=O)[O-] ZINC001600139382 1174377165 /nfs/dbraw/zinc/37/71/65/1174377165.db2.gz ATUVURRTUXKKRJ-MNOVXSKESA-N -1 1 283.324 1.694 20 0 CDADMM Cc1cc([C@@H](C)N2CCN(C)[C@@H](C)C2)oc1C(=O)[O-] ZINC001600152356 1174382631 /nfs/dbraw/zinc/38/26/31/1174382631.db2.gz WYTGIJNJHFWQAH-WDEREUQCSA-N -1 1 266.341 1.983 20 0 CDADMM Cc1cc(CN2CCC[C@](C)(CO)C2)[nH]c1C(=O)[O-] ZINC001600193412 1174397571 /nfs/dbraw/zinc/39/75/71/1174397571.db2.gz PZVOKOBCCKIFMX-AWEZNQCLSA-N -1 1 266.341 1.616 20 0 CDADMM Cc1ccsc1CN1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001600609002 1174526728 /nfs/dbraw/zinc/52/67/28/1174526728.db2.gz VWUAKPURYPNPST-MWLCHTKSSA-N -1 1 255.339 1.466 20 0 CDADMM Cc1nc(C)c(C(=O)N(CC(=O)[O-])c2ccccc2)[nH]1 ZINC001600682518 1174559398 /nfs/dbraw/zinc/55/93/98/1174559398.db2.gz FRKKVIIVIGAPAC-UHFFFAOYSA-N -1 1 273.292 1.758 20 0 CDADMM Cc1nc2cccc(C(=O)N[C@H](C)/C=C\C(=O)[O-])c2[nH]1 ZINC001600720851 1174579047 /nfs/dbraw/zinc/57/90/47/1174579047.db2.gz MGFIELTXCXYMFO-NFXKFNAJSA-N -1 1 273.292 1.630 20 0 CDADMM Cc1nc([C@@H](C)NCc2ccc(OCC(=O)[O-])cc2)n[nH]1 ZINC001600791995 1174611822 /nfs/dbraw/zinc/61/18/22/1174611822.db2.gz JERVXPKMKUGVAT-SECBINFHSA-N -1 1 290.323 1.427 20 0 CDADMM Cc1oc(C(=O)[O-])cc1-c1nc([C@H](N)C(C)C)no1 ZINC001600824141 1174630311 /nfs/dbraw/zinc/63/03/11/1174630311.db2.gz FDSXLWMEOZMVGP-SECBINFHSA-N -1 1 265.269 1.992 20 0 CDADMM NC(CN1CCCCCC1)=NOCc1oncc1C(=O)[O-] ZINC001601177801 1174775411 /nfs/dbraw/zinc/77/54/11/1174775411.db2.gz TUGSMBLIFGNBKH-UHFFFAOYSA-N -1 1 296.327 1.247 20 0 CDADMM Nc1ncc(CN2CCCCC[C@H]2C(=O)[O-])s1 ZINC001601221384 1174797003 /nfs/dbraw/zinc/79/70/03/1174797003.db2.gz YYZJKISUOCSISE-VIFPVBQESA-N -1 1 255.343 1.555 20 0 CDADMM Cc1csc(CCCNC(=O)c2cncc([O-])c2)n1 ZINC000111595861 1174828140 /nfs/dbraw/zinc/82/81/40/1174828140.db2.gz PAMJGDKNFRDLNV-UHFFFAOYSA-N -1 1 277.349 1.915 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001601442170 1174873414 /nfs/dbraw/zinc/87/34/14/1174873414.db2.gz YJONFYRYTFRHHH-IQJOONFLSA-N -1 1 277.324 1.199 20 0 CDADMM O=C([O-])C1(CNC(=O)c2[nH]ncc2F)CCCCC1 ZINC001601471060 1174879027 /nfs/dbraw/zinc/87/90/27/1174879027.db2.gz QXAHKBQDKFFEDB-UHFFFAOYSA-N -1 1 269.276 1.314 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)c3cn[nH]c3)[nH]c21 ZINC001601630870 1174916297 /nfs/dbraw/zinc/91/62/97/1174916297.db2.gz MIHRNKYOQRQPMY-UHFFFAOYSA-N -1 1 271.236 1.237 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)c2ccn[nH]2)C1 ZINC001602195304 1175158885 /nfs/dbraw/zinc/15/88/85/1175158885.db2.gz MTDGTLJNFNUYKN-RQJHMYQMSA-N -1 1 291.229 1.135 20 0 CDADMM 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O=C1[N-]C(=O)[C@@H](Cc2ccc(O[C@@H]3CCOC3)cc2)S1 ZINC001229616458 942499456 /nfs/dbraw/zinc/49/94/56/942499456.db2.gz IAIGROBESQFUQS-VXGBXAGGSA-N -1 1 293.344 1.748 20 0 CDADMM O=C([O-])[C@H](O)CNCc1ccc(F)c(Cl)c1Cl ZINC001332485770 942509515 /nfs/dbraw/zinc/50/95/15/942509515.db2.gz ISCJAMRPDOSJKB-SSDOTTSWSA-N -1 1 282.098 1.668 20 0 CDADMM COc1c(O[C@@H](C)C(=O)OCCC(C)C)nc(C)[n-]c1=O ZINC001230027712 942574715 /nfs/dbraw/zinc/57/47/15/942574715.db2.gz YYFJNYWQPXSJRI-VIFPVBQESA-N -1 1 298.339 1.856 20 0 CDADMM COC(=O)C[C@@H]1CCC[C@H](Oc2nc(C(=O)OC)c[n-]2)C1 ZINC001230281848 942601918 /nfs/dbraw/zinc/60/19/18/942601918.db2.gz JEZGLCBXLKJKNS-ZJUUUORDSA-N -1 1 296.323 1.697 20 0 CDADMM C[C@]1(CO)CN(Cc2ccc(C(=O)[O-])s2)CC[C@H]1O ZINC001231462466 942902234 /nfs/dbraw/zinc/90/22/34/942902234.db2.gz KSOBSPIYYDFOLT-DGCLKSJQSA-N -1 1 285.365 1.012 20 0 CDADMM CN1CC2(C1)CN(Cc1ccc(C(=O)[O-])s1)C2 ZINC001231466279 942904574 /nfs/dbraw/zinc/90/45/74/942904574.db2.gz POLQAKJPRSJAAQ-UHFFFAOYSA-N -1 1 252.339 1.194 20 0 CDADMM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2ccc(F)c([O-])c2)CC1=O ZINC001362160511 970959967 /nfs/dbraw/zinc/95/99/67/970959967.db2.gz UGKOWAFQVLZXKU-UBHAPETDSA-N -1 1 292.310 1.270 20 0 CDADMM COC(=O)c1nc[nH]c1NC(=O)c1nc(C)n2ccccc12 ZINC001525687955 970978770 /nfs/dbraw/zinc/97/87/70/970978770.db2.gz IANINQZNVBVGGM-UHFFFAOYSA-N -1 1 299.290 1.405 20 0 CDADMM C[C@]1(O)COCCN(Cc2cccc([O-])c2Cl)C1 ZINC001232783847 943392126 /nfs/dbraw/zinc/39/21/26/943392126.db2.gz DYPRWZHZFRSPAA-CYBMUJFWSA-N -1 1 271.744 1.629 20 0 CDADMM CN(C1COC1)C1CN(Cc2cccc([O-])c2Cl)C1 ZINC001232788396 943394917 /nfs/dbraw/zinc/39/49/17/943394917.db2.gz RYFUABVSOZLDNR-UHFFFAOYSA-N -1 1 282.771 1.560 20 0 CDADMM C[C@]1(CO)CN(Cc2ccc(F)c([O-])c2F)CC[C@@H]1O ZINC001232932244 943439543 /nfs/dbraw/zinc/43/95/43/943439543.db2.gz WQEQVIXCRUNGPT-SMDDNHRTSA-N -1 1 287.306 1.236 20 0 CDADMM O=C1CCN(Cc2ccc(F)c([O-])c2F)C[C@@H]1F ZINC001232937725 943441171 /nfs/dbraw/zinc/44/11/71/943441171.db2.gz SGRORJYPPUUJCS-VIFPVBQESA-N -1 1 259.227 1.783 20 0 CDADMM C[C@]1(CO)CCN(Cc2cc([O-])c(F)c(F)c2)C[C@H]1O ZINC001232969995 943449606 /nfs/dbraw/zinc/44/96/06/943449606.db2.gz FNHDRBOFMBVVLQ-TZMCWYRMSA-N -1 1 287.306 1.236 20 0 CDADMM [O-]c1cnc(Cl)cc1CN1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001233032348 943467730 /nfs/dbraw/zinc/46/77/30/943467730.db2.gz HZNYWFUEOPMSNE-XHVZSJERSA-N -1 1 298.770 1.412 20 0 CDADMM [S-]c1ccc(CN2CCC3(C2)OCCO3)cc1 ZINC001233261358 943521211 /nfs/dbraw/zinc/52/12/11/943521211.db2.gz MDGDHTBXLOVTDF-UHFFFAOYSA-N -1 1 251.351 1.924 20 0 CDADMM CCCC(=O)c1ccc([O-])cc1O[C@H]1CCS(=O)(=O)C1 ZINC001233650985 943633445 /nfs/dbraw/zinc/63/34/45/943633445.db2.gz VHCQLCDJFFHMBQ-NSHDSACASA-N -1 1 298.360 1.941 20 0 CDADMM CCCCOC[C@H](C)Oc1c(=O)[n-]cnc1C(=O)OC ZINC001233761156 943651987 /nfs/dbraw/zinc/65/19/87/943651987.db2.gz ZQJNHYGUVKFUEY-VIFPVBQESA-N -1 1 284.312 1.553 20 0 CDADMM Cc1cccc2c1CC[C@@H]2Oc1c(C(N)=O)nc[n-]c1=O ZINC001234462290 943849231 /nfs/dbraw/zinc/84/92/31/943849231.db2.gz FBXPAZCEGNKXGR-NSHDSACASA-N -1 1 285.303 1.656 20 0 CDADMM COC(=O)c1nc(C)[n-]c(=O)c1O[C@@H](C)c1cccnc1 ZINC001234556900 943890856 /nfs/dbraw/zinc/89/08/56/943890856.db2.gz DVCXWSZSLYWWJC-QMMMGPOBSA-N -1 1 289.291 1.812 20 0 CDADMM CC(C)c1nc(C(N)=O)c(OC[C@H]2CCC=CO2)c(=O)[n-]1 ZINC001234560802 943893471 /nfs/dbraw/zinc/89/34/71/943893471.db2.gz HSBWVJYHPLESKN-SECBINFHSA-N -1 1 293.323 1.476 20 0 CDADMM CC[C@@H](C)Oc1c(C(N)=O)nc(C(C)C)[n-]c1=O ZINC001234563078 943893568 /nfs/dbraw/zinc/89/35/68/943893568.db2.gz UITMPCGLQMJMDN-SSDOTTSWSA-N -1 1 253.302 1.582 20 0 CDADMM CCC(=O)[C@@H](CC)Oc1c(=O)[n-]c(C)nc1C(=O)OC ZINC001234564941 943896136 /nfs/dbraw/zinc/89/61/36/943896136.db2.gz RQXSVEDOKGNTNG-SECBINFHSA-N -1 1 282.296 1.414 20 0 CDADMM COC(=O)c1nc(C)[n-]c(=O)c1O[C@H]1CCO[C@H](C)C1 ZINC001234565262 943896179 /nfs/dbraw/zinc/89/61/79/943896179.db2.gz UHQUAVVNYGBEMT-APPZFPTMSA-N -1 1 282.296 1.224 20 0 CDADMM COC(=O)c1nc(C)[n-]c(=O)c1O[C@@H]1CCO[C@H](C)C1 ZINC001234565265 943896779 /nfs/dbraw/zinc/89/67/79/943896779.db2.gz UHQUAVVNYGBEMT-VXNVDRBHSA-N -1 1 282.296 1.224 20 0 CDADMM COC(=O)c1nc(C)[n-]c(=O)c1O[C@@H](C)C(C)C ZINC001234563988 943897202 /nfs/dbraw/zinc/89/72/02/943897202.db2.gz BWLNBXOZZZASNV-ZETCQYMHSA-N -1 1 254.286 1.701 20 0 CDADMM CC(C)c1nc(C(N)=O)c(O[C@H]2CC[C@H](C)C2)c(=O)[n-]1 ZINC001234566592 943898685 /nfs/dbraw/zinc/89/86/85/943898685.db2.gz YPPQYZLJZZPJHL-IUCAKERBSA-N -1 1 279.340 1.972 20 0 CDADMM COC(=O)C[C@@H](C)Oc1[n-]c(=O)c(F)cc1C(=O)OC ZINC001234608212 943913122 /nfs/dbraw/zinc/91/31/22/943913122.db2.gz JYVFQOJJGZYXKS-ZCFIWIBFSA-N -1 1 287.243 1.043 20 0 CDADMM CN(CCO)Cc1c(F)c([O-])ccc1Br ZINC001236258268 944440740 /nfs/dbraw/zinc/44/07/40/944440740.db2.gz AQLOIXQLYKVVHQ-UHFFFAOYSA-N -1 1 278.121 1.718 20 0 CDADMM CCC1([N-]S(=O)(=O)c2cc(F)ccc2F)COC1 ZINC001258949632 945453712 /nfs/dbraw/zinc/45/37/12/945453712.db2.gz IFTPIIDERWQCMT-UHFFFAOYSA-N -1 1 277.292 1.422 20 0 CDADMM O=C([O-])Cc1cccc(NC(=O)CCc2c[nH]nn2)c1 ZINC001602135981 971154583 /nfs/dbraw/zinc/15/45/83/971154583.db2.gz UHHXQCDDMDHWKA-UHFFFAOYSA-N -1 1 274.280 1.003 20 0 CDADMM COc1ncc(F)cc1[N-]S(=O)(=O)C1CCCC1 ZINC001259794374 945634528 /nfs/dbraw/zinc/63/45/28/945634528.db2.gz WHAYKDOJUOAMCV-UHFFFAOYSA-N -1 1 274.317 1.914 20 0 CDADMM COc1nc(C)ncc1[N-]S(=O)(=O)C1CCCC1 ZINC001259794314 945634561 /nfs/dbraw/zinc/63/45/61/945634561.db2.gz SRPWFEVMHIKPBG-UHFFFAOYSA-N -1 1 271.342 1.478 20 0 CDADMM CC(C)CS(=O)(=O)[N-]c1ncc(Cl)cc1O ZINC001259878918 945675466 /nfs/dbraw/zinc/67/54/66/945675466.db2.gz YBFOUXUWQCOTIP-UHFFFAOYSA-N -1 1 264.734 1.838 20 0 CDADMM COC(=O)c1nc2ccc(-c3c(C)n[nH]c3C)nc2[n-]1 ZINC001240128274 945682594 /nfs/dbraw/zinc/68/25/94/945682594.db2.gz GKALNWCCLJBKER-UHFFFAOYSA-N -1 1 271.280 1.751 20 0 CDADMM O=S(=O)([N-]Cc1cccc(Cl)n1)C(F)F ZINC001259959911 945749557 /nfs/dbraw/zinc/74/95/57/945749557.db2.gz GINGUTJBLIHSON-UHFFFAOYSA-N -1 1 256.661 1.377 20 0 CDADMM COc1ccccc1C1([N-]S(=O)(=O)C(F)F)CC1 ZINC001259963869 945757023 /nfs/dbraw/zinc/75/70/23/945757023.db2.gz REJNXLJQDVOXJR-UHFFFAOYSA-N -1 1 277.292 1.826 20 0 CDADMM O=S(=O)([N-]CC(F)F)c1ccc(-c2cnco2)s1 ZINC001259987691 945771744 /nfs/dbraw/zinc/77/17/44/945771744.db2.gz FELFGGRDQFZFRE-UHFFFAOYSA-N -1 1 294.304 1.947 20 0 CDADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccoc2)ccc1O ZINC001260393912 945823796 /nfs/dbraw/zinc/82/37/96/945823796.db2.gz YZNCYUPKRFZPAS-UHFFFAOYSA-N -1 1 283.261 1.484 20 0 CDADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC1=CCCOC1 ZINC001261220125 946003451 /nfs/dbraw/zinc/00/34/51/946003451.db2.gz DMCBEWOMZAJWCS-UHFFFAOYSA-N -1 1 295.364 1.289 20 0 CDADMM COC(=O)c1nc2ccc(-c3cnn(C4COC4)c3)cc2[n-]1 ZINC001240783947 946030964 /nfs/dbraw/zinc/03/09/64/946030964.db2.gz BSQDYNVAXWBLSW-UHFFFAOYSA-N -1 1 298.302 1.784 20 0 CDADMM COC(=O)c1nc2cc(-c3cnn(C4COC4)c3)ccc2[n-]1 ZINC001240783947 946030978 /nfs/dbraw/zinc/03/09/78/946030978.db2.gz BSQDYNVAXWBLSW-UHFFFAOYSA-N -1 1 298.302 1.784 20 0 CDADMM O=C([O-])Cc1ccc(-c2cc3c(nn2)CNC3)cc1 ZINC001240973271 946120784 /nfs/dbraw/zinc/12/07/84/946120784.db2.gz RHIIXVGGTNMFKC-UHFFFAOYSA-N -1 1 255.277 1.374 20 0 CDADMM [O-]c1ccc(F)c(-c2cc3c(nn2)OCCO3)c1F ZINC001241288901 946207616 /nfs/dbraw/zinc/20/76/16/946207616.db2.gz ALNZKEWBKAWPOZ-UHFFFAOYSA-N -1 1 266.203 1.899 20 0 CDADMM Cc1cccc(-c2ncc3c(n2)N(C)[C@@H](C)C(=O)N3)c1[O-] ZINC001242344625 946686390 /nfs/dbraw/zinc/68/63/90/946686390.db2.gz QRMBXNXYXCCETL-VIFPVBQESA-N -1 1 284.319 1.934 20 0 CDADMM C[C@@H]1C(=O)N=C2N=CNC(c3cccc(Cl)c3[O-])=C21 ZINC001242363889 946696730 /nfs/dbraw/zinc/69/67/30/946696730.db2.gz KYFHEIKEDDKPFJ-LURJTMIESA-N -1 1 275.695 1.963 20 0 CDADMM Cc1cc2c(c(-c3ccnn3C(C)C)n1)C(=O)[N-]C2=O ZINC001242553365 946788911 /nfs/dbraw/zinc/78/89/11/946788911.db2.gz DSJRNIRUNXGGIT-UHFFFAOYSA-N -1 1 270.292 1.718 20 0 CDADMM Cc1cc2c(c(-c3ccc([C@H](C)O)cc3)n1)C(=O)[N-]C2=O ZINC001242645498 946826768 /nfs/dbraw/zinc/82/67/68/946826768.db2.gz WBEUSHXCVZBYJV-VIFPVBQESA-N -1 1 282.299 1.994 20 0 CDADMM COCc1cncc(-c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001242954770 946945300 /nfs/dbraw/zinc/94/53/00/946945300.db2.gz AMKMFGFKNWPOHP-UHFFFAOYSA-N -1 1 268.280 1.470 20 0 CDADMM COCc1cncc(-c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001242954770 946945304 /nfs/dbraw/zinc/94/53/04/946945304.db2.gz AMKMFGFKNWPOHP-UHFFFAOYSA-N -1 1 268.280 1.470 20 0 CDADMM O=C(c1cncc([O-])c1)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC001362477905 971319218 /nfs/dbraw/zinc/31/92/18/971319218.db2.gz ZZCZOVFKSHBCKA-BFHYXJOUSA-N -1 1 276.336 1.553 20 0 CDADMM Brc1n[n-]c(-c2nnc(C3CC3)o2)n1 ZINC001254102025 947280317 /nfs/dbraw/zinc/28/03/17/947280317.db2.gz CYGYENOCWBMLSF-UHFFFAOYSA-N -1 1 256.063 1.495 20 0 CDADMM Brc1nc(-c2nnc(C3CC3)o2)n[n-]1 ZINC001254102025 947280321 /nfs/dbraw/zinc/28/03/21/947280321.db2.gz CYGYENOCWBMLSF-UHFFFAOYSA-N -1 1 256.063 1.495 20 0 CDADMM COc1ncc(-c2ccc(N)cc2)cc1[N-]S(C)(=O)=O ZINC001244792525 947475986 /nfs/dbraw/zinc/47/59/86/947475986.db2.gz DBGWXCWFEHCCRH-UHFFFAOYSA-N -1 1 293.348 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280.324 1.591 20 0 CDADMM CCC(CC)(NC(=O)C[C@@H](C)n1ccnc1)c1nn[n-]n1 ZINC001362626691 971471831 /nfs/dbraw/zinc/47/18/31/971471831.db2.gz SZNSQHURAVYFKG-SNVBAGLBSA-N -1 1 291.359 1.179 20 0 CDADMM CCOC1CCC([NH2+]CCCC[P@](=O)([O-])O)CC1 ZINC001256430167 948320909 /nfs/dbraw/zinc/32/09/09/948320909.db2.gz BBUBEBGOLZYGFI-UHFFFAOYSA-N -1 1 279.317 1.882 20 0 CDADMM O=C(c1ccc([O-])cn1)N1CCOC[C@@H]1CC(F)F ZINC001362646687 971491339 /nfs/dbraw/zinc/49/13/39/971491339.db2.gz QDIFSIRVGGGHAL-QMMMGPOBSA-N -1 1 272.251 1.283 20 0 CDADMM Cc1c(F)ccc(-c2noc(Cc3nnn[n-]3)n2)c1Cl ZINC001247139279 948597771 /nfs/dbraw/zinc/59/77/71/948597771.db2.gz FYALTLLKUOCSCA-UHFFFAOYSA-N -1 1 294.677 1.941 20 0 CDADMM Cc1c(F)ccc(-c2noc(Cc3nn[n-]n3)n2)c1Cl ZINC001247139279 948597777 /nfs/dbraw/zinc/59/77/77/948597777.db2.gz FYALTLLKUOCSCA-UHFFFAOYSA-N -1 1 294.677 1.941 20 0 CDADMM c1cc2c(cccc2-c2noc(Cc3nnn[n-]3)n2)o1 ZINC001247139626 948600354 /nfs/dbraw/zinc/60/03/54/948600354.db2.gz KWVSJFRYGCTCRO-UHFFFAOYSA-N -1 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CDADMM CC(C)[C@H](C)C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001589436065 1173145252 /nfs/dbraw/zinc/14/52/52/1173145252.db2.gz WIZRGHAAEMRRDV-ZETCQYMHSA-N -1 1 289.343 1.698 20 0 CDADMM CNC(=O)C[C@@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000323093463 260275031 /nfs/dbraw/zinc/27/50/31/260275031.db2.gz XSCMRDWVQGZIBV-SSDOTTSWSA-N -1 1 270.716 1.300 20 0 CDADMM C[C@@H](N(C)C(=O)c1csc(-c2nn[n-]n2)c1)C(C)(C)O ZINC001589911234 1173202275 /nfs/dbraw/zinc/20/22/75/1173202275.db2.gz JSWPJVBPGJABSF-SSDOTTSWSA-N -1 1 295.368 1.160 20 0 CDADMM CC(C)[C@@H](CNC(=O)c1cc(F)cc2nc[nH]c21)C(=O)[O-] ZINC000655566996 424056174 /nfs/dbraw/zinc/05/61/74/424056174.db2.gz VBDMERUAEJEKSX-SNVBAGLBSA-N -1 1 293.298 1.789 20 0 CDADMM C[C@@H](O)[C@@H](C)Sc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589994087 1173225034 /nfs/dbraw/zinc/22/50/34/1173225034.db2.gz DGOGEVMFBKQAOV-QWWZWVQMSA-N -1 1 291.789 1.838 20 0 CDADMM CCCc1cc(C(=O)N2CCC[C@@H]2CC(=O)[O-])n[nH]1 ZINC000653646717 424391139 /nfs/dbraw/zinc/39/11/39/424391139.db2.gz 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/nfs/dbraw/zinc/29/62/45/1173296245.db2.gz ZPLDTLDZCPWXCC-NQMVMOMDSA-N -1 1 260.301 1.240 20 0 CDADMM CC[C@](C)(CCO)NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590381720 1173383850 /nfs/dbraw/zinc/38/38/50/1173383850.db2.gz MVTLSRWQKZEVIL-CYBMUJFWSA-N -1 1 293.327 1.049 20 0 CDADMM CC[C@](C)(CCO)NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590381720 1173383856 /nfs/dbraw/zinc/38/38/56/1173383856.db2.gz MVTLSRWQKZEVIL-CYBMUJFWSA-N -1 1 293.327 1.049 20 0 CDADMM CC[C@@H](C)C[C@H](CO)Nc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001590406390 1173393125 /nfs/dbraw/zinc/39/31/25/1173393125.db2.gz NAQORLCNOZDLHR-MWLCHTKSSA-N -1 1 290.371 1.779 20 0 CDADMM CC[C@@H](C)C[C@H](CO)Nc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001590406390 1173393130 /nfs/dbraw/zinc/39/31/30/1173393130.db2.gz NAQORLCNOZDLHR-MWLCHTKSSA-N -1 1 290.371 1.779 20 0 CDADMM CC[C@H]([N-]S(=O)(=O)[C@H]1CCC[C@@H]1C(=O)OC)C(F)F ZINC000451627825 288055298 /nfs/dbraw/zinc/05/52/98/288055298.db2.gz ZDCUFESBLNUDLN-CIUDSAMLSA-N -1 1 299.339 1.291 20 0 CDADMM C[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)c2ccccc21 ZINC000352422386 278681136 /nfs/dbraw/zinc/68/11/36/278681136.db2.gz IWQPQHCHFSZECD-SECBINFHSA-N -1 1 295.302 1.182 20 0 CDADMM CCC(CC)(CNc1cnc(-c2nnn[n-]2)cn1)SC ZINC001590428859 1173404331 /nfs/dbraw/zinc/40/43/31/1173404331.db2.gz WIKOVWAOUZGFIR-UHFFFAOYSA-N -1 1 293.400 1.990 20 0 CDADMM CCC(CC)(CNc1cnc(-c2nn[n-]n2)cn1)SC ZINC001590428859 1173404337 /nfs/dbraw/zinc/40/43/37/1173404337.db2.gz WIKOVWAOUZGFIR-UHFFFAOYSA-N -1 1 293.400 1.990 20 0 CDADMM CC(C)C[C@H](Nc1cc(-n2cccn2)nc(N)n1)C(=O)[O-] ZINC000263378998 279196051 /nfs/dbraw/zinc/19/60/51/279196051.db2.gz CCQMVCDFEJQOQB-VIFPVBQESA-N -1 1 290.327 1.156 20 0 CDADMM CSCC[C@@H](CO)NC(=O)c1cc(Cl)ccc1[O-] ZINC000119181850 279357564 /nfs/dbraw/zinc/35/75/64/279357564.db2.gz PLQFTDBJOVEFEX-VIFPVBQESA-N -1 1 289.784 1.889 20 0 CDADMM CCC(CC)COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590434449 1173409190 /nfs/dbraw/zinc/40/91/90/1173409190.db2.gz OMXKBXPITIFURT-UHFFFAOYSA-N -1 1 275.312 1.855 20 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20 0 CDADMM CCC(F)(F)COC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590452346 1173416346 /nfs/dbraw/zinc/41/63/46/1173416346.db2.gz ZUMQRUKWVKYXRK-UHFFFAOYSA-N -1 1 297.265 1.393 20 0 CDADMM CCC(F)(F)COC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590452346 1173416351 /nfs/dbraw/zinc/41/63/51/1173416351.db2.gz ZUMQRUKWVKYXRK-UHFFFAOYSA-N -1 1 297.265 1.393 20 0 CDADMM CC(C)O[C@@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC000519818314 281043807 /nfs/dbraw/zinc/04/38/07/281043807.db2.gz BQFNMTVNDABHKK-GFCCVEGCSA-N -1 1 276.340 1.022 20 0 CDADMM CC(C)[C@@]1(C(=O)[O-])CCN([C@@H](C)c2nnnn2C2CC2)C1 ZINC000520417662 281046317 /nfs/dbraw/zinc/04/63/17/281046317.db2.gz AMEJBWSWVMDFDE-IINYFYTJSA-N -1 1 293.371 1.502 20 0 CDADMM CC(C)S(=O)(=O)CC(=O)Nc1cccc(F)c1[O-] ZINC000530006280 281414658 /nfs/dbraw/zinc/41/46/58/281414658.db2.gz NUXAPVXOAKDMSB-UHFFFAOYSA-N -1 1 275.301 1.293 20 0 CDADMM CCO[N-]C(=O)C(C)(C)CNC(=O)OC(C)(C)C ZINC000155332450 289235577 /nfs/dbraw/zinc/23/55/77/289235577.db2.gz GXQFDYZGMJDWJZ-UHFFFAOYSA-N -1 1 260.334 1.605 20 0 CDADMM Cc1cccc(C)c1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155524579 289241898 /nfs/dbraw/zinc/24/18/98/289241898.db2.gz ASLBNMVMPZOPML-LBPRGKRZSA-N -1 1 285.351 1.836 20 0 CDADMM C[C@H](C(=O)NCCC(=O)[O-])N(C)Cc1ccccc1 ZINC000262291469 289351903 /nfs/dbraw/zinc/35/19/03/289351903.db2.gz YRATWPFEVSXCRI-LLVKDONJSA-N -1 1 264.325 1.098 20 0 CDADMM O=C(NC1(c2ccc3c(c2)OCO3)CC1)c1ncccc1[O-] ZINC000548640265 289910067 /nfs/dbraw/zinc/91/00/67/289910067.db2.gz VACOUJHXQZIMMB-UHFFFAOYSA-N -1 1 298.298 1.935 20 0 CDADMM COc1cccc(CS(=O)(=O)[N-]CC(C)(F)F)c1 ZINC000559138924 290436662 /nfs/dbraw/zinc/43/66/62/290436662.db2.gz OYKDDFHMXDMDDQ-UHFFFAOYSA-N -1 1 279.308 1.770 20 0 CDADMM O=C(NCCCOCC(F)(F)F)c1ncccc1[O-] ZINC000171248238 292890433 /nfs/dbraw/zinc/89/04/33/292890433.db2.gz OIBLRJNKAKBUBO-UHFFFAOYSA-N -1 1 278.230 1.486 20 0 CDADMM CC(=O)Nc1ccc([O-])c(C(=O)N2CCn3nccc32)c1 ZINC000560820792 293034840 /nfs/dbraw/zinc/03/48/40/293034840.db2.gz RPRHNKCBBWQVTN-UHFFFAOYSA-N -1 1 286.291 1.208 20 0 CDADMM CC1=C(C(=O)NC2(c3nn[n-]n3)CC2)CCC(C)(C)C1 ZINC000562707069 293179672 /nfs/dbraw/zinc/17/96/72/293179672.db2.gz RHURXQQOULGXRB-UHFFFAOYSA-N -1 1 275.356 1.832 20 0 CDADMM CC[C@H]1CN(C)CCN1C(=O)N=c1cc(C)c(C)n[n-]1 ZINC000562849264 293211150 /nfs/dbraw/zinc/21/11/50/293211150.db2.gz YDJHRBRUFWLCMO-LBPRGKRZSA-N -1 1 277.372 1.073 20 0 CDADMM CO[C@@H]1C[C@H](C(=O)[O-])N(CCOc2cccc(C)c2)C1 ZINC000563284236 293333371 /nfs/dbraw/zinc/33/33/71/293333371.db2.gz SFYUEVWKZRKCOE-ZIAGYGMSSA-N -1 1 279.336 1.548 20 0 CDADMM CCC[C@H](O)CCCSc1cc(-c2nnn[n-]2)ncn1 ZINC001590561501 1173464314 /nfs/dbraw/zinc/46/43/14/1173464314.db2.gz ZUSQMJKEZYBJFC-VIFPVBQESA-N -1 1 294.384 1.690 20 0 CDADMM CCC[C@H](O)CCCSc1cc(-c2nn[n-]n2)ncn1 ZINC001590561501 1173464319 /nfs/dbraw/zinc/46/43/19/1173464319.db2.gz ZUSQMJKEZYBJFC-VIFPVBQESA-N -1 1 294.384 1.690 20 0 CDADMM Cc1conc1[N-]C(=O)c1snnc1C1CC1 ZINC000571038877 294355444 /nfs/dbraw/zinc/35/54/44/294355444.db2.gz XNLRWCDDYAWHDE-UHFFFAOYSA-N 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C[C@@H](C(=O)[O-])C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000576990985 317244656 /nfs/dbraw/zinc/24/46/56/317244656.db2.gz WQVCCIYMGBRUBA-NWDGAFQWSA-N -1 1 290.363 1.270 20 0 CDADMM CC[C@]1(C(C)C)C[C@H]1Nc1nc2[nH][n-]cc-2c(=O)n1 ZINC000577203406 317285497 /nfs/dbraw/zinc/28/54/97/317285497.db2.gz JDJQWUVVOZUGBK-NOZJJQNGSA-N -1 1 261.329 1.669 20 0 CDADMM Cc1ccc(NCCC2(CO)CC2)c(-c2nnn[n-]2)n1 ZINC001592182806 1173825683 /nfs/dbraw/zinc/82/56/83/1173825683.db2.gz AGVFBVOIMNIMKI-UHFFFAOYSA-N -1 1 274.328 1.145 20 0 CDADMM Cc1ccc(NCCC2(CO)CC2)c(-c2nn[n-]n2)n1 ZINC001592182806 1173825690 /nfs/dbraw/zinc/82/56/90/1173825690.db2.gz AGVFBVOIMNIMKI-UHFFFAOYSA-N -1 1 274.328 1.145 20 0 CDADMM Cc1nc(N[C@H]2CC[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001592382985 1173875427 /nfs/dbraw/zinc/87/54/27/1173875427.db2.gz XMLWIAGXEMGIOT-CBAPKCEASA-N -1 1 259.317 1.566 20 0 CDADMM Cc1nc(N[C@H]2CC[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001592382985 1173875434 /nfs/dbraw/zinc/87/54/34/1173875434.db2.gz 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/nfs/dbraw/zinc/98/61/61/575986161.db2.gz ZXHFRPBQFBANBJ-FZMZJTMJSA-N -1 1 288.347 1.686 20 0 CDADMM C/C=C\C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000737854069 576017986 /nfs/dbraw/zinc/01/79/86/576017986.db2.gz KRLIALCAORQJDW-PLNGDYQASA-N -1 1 260.297 1.244 20 0 CDADMM CCc1ccsc1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765457114 576025501 /nfs/dbraw/zinc/02/55/01/576025501.db2.gz FINXMYPUOOOCFM-UHFFFAOYSA-N -1 1 267.310 1.089 20 0 CDADMM CC(C)c1nc(C(=O)OCc2nc(=O)n(C)[n-]2)cs1 ZINC000765465919 576026764 /nfs/dbraw/zinc/02/67/64/576026764.db2.gz VLUFFZFXRZDQJO-UHFFFAOYSA-N -1 1 282.325 1.045 20 0 CDADMM CS[C@@H](C(=O)OCc1nc(=O)n(C)[n-]1)c1ccccc1 ZINC000765480849 576028285 /nfs/dbraw/zinc/02/82/85/576028285.db2.gz QPXILIMEQJUITE-LLVKDONJSA-N -1 1 293.348 1.256 20 0 CDADMM CC(C)c1ncc(C(=O)OCc2nc(=O)n(C)[n-]2)s1 ZINC000765503876 576031887 /nfs/dbraw/zinc/03/18/87/576031887.db2.gz VHCFFZFBHYAWNG-UHFFFAOYSA-N -1 1 282.325 1.045 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1C/C=C\c1ccccc1 ZINC000738372849 576063916 /nfs/dbraw/zinc/06/39/16/576063916.db2.gz WXVNVYKMFULMQL-YWEYNIOJSA-N -1 1 279.303 1.742 20 0 CDADMM Oc1cccc(CCNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC000738401191 576068930 /nfs/dbraw/zinc/06/89/30/576068930.db2.gz PVITVJWCVNAFJX-UHFFFAOYSA-N -1 1 283.295 1.017 20 0 CDADMM Oc1cccc(CCNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC000738401191 576068931 /nfs/dbraw/zinc/06/89/31/576068931.db2.gz PVITVJWCVNAFJX-UHFFFAOYSA-N -1 1 283.295 1.017 20 0 CDADMM O=C([O-])[C@H]1CCCN(Cn2cnc(-c3ccccc3)n2)C1 ZINC000738538655 576086918 /nfs/dbraw/zinc/08/69/18/576086918.db2.gz VWBFMIDBTLLDSI-ZDUSSCGKSA-N -1 1 286.335 1.699 20 0 CDADMM O=C(NCC(F)(F)CO)c1c([O-])cccc1Cl ZINC000768646360 576301966 /nfs/dbraw/zinc/30/19/66/576301966.db2.gz XQVDDQYXYGCDJD-UHFFFAOYSA-N -1 1 265.643 1.403 20 0 CDADMM O=C([O-])c1occc1CN1CCC[C@H](N2CCCC2=O)C1 ZINC000740281097 576456803 /nfs/dbraw/zinc/45/68/03/576456803.db2.gz JRPRKTATFYFYLJ-LBPRGKRZSA-N -1 1 292.335 1.565 20 0 CDADMM O=C([O-])CSCC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000740487421 576478011 /nfs/dbraw/zinc/47/80/11/576478011.db2.gz QIJSTKVMMJKBRZ-UHFFFAOYSA-N -1 1 292.320 1.024 20 0 CDADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)C1CCCCC1 ZINC000761342360 576569640 /nfs/dbraw/zinc/56/96/40/576569640.db2.gz JOARTHJDGXNRQE-VIFPVBQESA-N -1 1 299.339 1.435 20 0 CDADMM CCC(CC)[C@@H](C)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000761690996 576588641 /nfs/dbraw/zinc/58/86/41/576588641.db2.gz GUYAGXKPUWGVES-KOLCDFICSA-N -1 1 281.360 1.172 20 0 CDADMM C[C@](O)(CNC(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000743715880 576652447 /nfs/dbraw/zinc/65/24/47/576652447.db2.gz SAZURGVCGOSXBK-ZDUSSCGKSA-N -1 1 269.728 1.936 20 0 CDADMM C[C@@H](NCc1nc(=O)n(C)[n-]1)c1nc2ccccc2s1 ZINC000754707484 576911731 /nfs/dbraw/zinc/91/17/31/576911731.db2.gz WPGJFGSPQMLELT-MRVPVSSYSA-N -1 1 289.364 1.569 20 0 CDADMM C[C@]1(O)CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000748511432 576915242 /nfs/dbraw/zinc/91/52/42/576915242.db2.gz SCCPSVSXLJYYHG-LBPRGKRZSA-N -1 1 255.701 1.643 20 0 CDADMM O=C(Cc1ccc2c(c1)OCO2)[N-]O[C@H]1CCCCO1 ZINC000749616361 576955632 /nfs/dbraw/zinc/95/56/32/576955632.db2.gz CRHBKWYAVIIKTR-AWEZNQCLSA-N -1 1 279.292 1.532 20 0 CDADMM CC[C@@H](C)OCC(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000751872748 577070742 /nfs/dbraw/zinc/07/07/42/577070742.db2.gz YYWMALRTDJWKAM-LLVKDONJSA-N -1 1 293.319 1.301 20 0 CDADMM C[C@@]1(CCC(=O)[N-]OCC(F)(F)F)CCC(=O)N1 ZINC000753427799 577167858 /nfs/dbraw/zinc/16/78/58/577167858.db2.gz BSFYZHPKSFGNDN-VIFPVBQESA-N -1 1 268.235 1.045 20 0 CDADMM CC(C)c1nnc(CCC(=O)[N-]OCC(F)F)o1 ZINC000759333626 577170023 /nfs/dbraw/zinc/17/00/23/577170023.db2.gz ASKCNGKUBQTKCZ-UHFFFAOYSA-N -1 1 263.244 1.439 20 0 CDADMM O=C([O-])[C@H]1CCN(CN2C[C@@H](C3CCCCC3)CC2=O)C1 ZINC001601825830 1175024163 /nfs/dbraw/zinc/02/41/63/1175024163.db2.gz RTUNFKLDKAXYMW-KBPBESRZSA-N -1 1 294.395 1.779 20 0 CDADMM O=C([O-])[C@@H]1CCCC[C@@H]1[NH2+]CCC[N-]C(=O)C(F)(F)F ZINC001602172649 1175150958 /nfs/dbraw/zinc/15/09/58/1175150958.db2.gz FTYUJPGEMUZVGW-BDAKNGLRSA-N -1 1 296.289 1.288 20 0 CDADMM CC(C)C[C@H](CO)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820054563 599103789 /nfs/dbraw/zinc/10/37/89/599103789.db2.gz BPCPOOQKDSVRJI-MRVPVSSYSA-N -1 1 296.762 1.734 20 0 CDADMM CC(C)C[C@H](CO)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820054563 599103791 /nfs/dbraw/zinc/10/37/91/599103791.db2.gz BPCPOOQKDSVRJI-MRVPVSSYSA-N -1 1 296.762 1.734 20 0 CDADMM CN1c2ccccc2C(=O)N[C@@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821630325 599116156 /nfs/dbraw/zinc/11/61/56/599116156.db2.gz ULXPMHQZCNFRMV-ZDUSSCGKSA-N -1 1 296.290 1.338 20 0 CDADMM CN1c2ccccc2C(=O)N[C@@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821630325 599116159 /nfs/dbraw/zinc/11/61/59/599116159.db2.gz ULXPMHQZCNFRMV-ZDUSSCGKSA-N -1 1 296.290 1.338 20 0 CDADMM CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820868966 599159328 /nfs/dbraw/zinc/15/93/28/599159328.db2.gz CYHCHNUIZGOSSD-ZJUUUORDSA-N -1 1 288.355 1.816 20 0 CDADMM CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820868966 599159331 /nfs/dbraw/zinc/15/93/31/599159331.db2.gz CYHCHNUIZGOSSD-ZJUUUORDSA-N -1 1 288.355 1.816 20 0 CDADMM CC[C@H](C[C@H](C)CO)Nc1cccc(-c2nnn[n-]2)n1 ZINC000820882457 599360065 /nfs/dbraw/zinc/36/00/65/599360065.db2.gz RNUKTVRIORHDEZ-VHSXEESVSA-N -1 1 276.344 1.471 20 0 CDADMM CC[C@H](C[C@H](C)CO)Nc1cccc(-c2nn[n-]n2)n1 ZINC000820882457 599360068 /nfs/dbraw/zinc/36/00/68/599360068.db2.gz RNUKTVRIORHDEZ-VHSXEESVSA-N -1 1 276.344 1.471 20 0 CDADMM Cc1ccc(N2CC[C@@H](N[C@H](C)C(=O)[O-])C2=O)cc1 ZINC000818898854 597207678 /nfs/dbraw/zinc/20/76/78/597207678.db2.gz LDOSCOGHAVRFMC-ZYHUDNBSSA-N -1 1 262.309 1.163 20 0 CDADMM C[C@H](C(=O)[O-])[N@@H+](C)Cc1nc(=O)c2sccc2[n-]1 ZINC000054069962 597473221 /nfs/dbraw/zinc/47/32/21/597473221.db2.gz BWIIEAIVRSZBFO-ZCFIWIBFSA-N -1 1 267.310 1.302 20 0 CDADMM C[C@H](NCc1ncc(Br)s1)C(=O)[O-] ZINC000713642021 597718810 /nfs/dbraw/zinc/71/88/10/597718810.db2.gz SDHKEHHQUOQFPM-BYPYZUCNSA-N -1 1 265.132 1.468 20 0 CDADMM CN(CC1CCCCC1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825907674 608395114 /nfs/dbraw/zinc/39/51/14/608395114.db2.gz AUKBGAFQJNOLGI-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM CN(CC1CCCCC1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825907674 608395115 /nfs/dbraw/zinc/39/51/15/608395115.db2.gz AUKBGAFQJNOLGI-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM CC[C@H](C)[C@H](NCC(=O)N[C@@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000263133631 598187611 /nfs/dbraw/zinc/18/76/11/598187611.db2.gz NIEDOPQASJVMEL-SFTQSGBHSA-N -1 1 284.400 1.770 20 0 CDADMM Clc1ccccc1CNc1nccnc1-c1nnn[n-]1 ZINC000095167056 598336008 /nfs/dbraw/zinc/33/60/08/598336008.db2.gz QQEYPVDRNYIYFX-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM Clc1ccccc1CNc1nccnc1-c1nn[n-]n1 ZINC000095167056 598336009 /nfs/dbraw/zinc/33/60/09/598336009.db2.gz QQEYPVDRNYIYFX-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM Cc1csc(Sc2nccnc2-c2nn[n-]n2)n1 ZINC000095214775 598336044 /nfs/dbraw/zinc/33/60/44/598336044.db2.gz HLMPOWOSRKIBNC-UHFFFAOYSA-N -1 1 277.338 1.573 20 0 CDADMM COc1cccc(Sc2nccnc2-c2nn[n-]n2)c1 ZINC000095306816 598339963 /nfs/dbraw/zinc/33/99/63/598339963.db2.gz UCEQTJYUBPPRJR-UHFFFAOYSA-N -1 1 286.320 1.817 20 0 CDADMM COCCCN(C)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821687846 599497765 /nfs/dbraw/zinc/49/77/65/599497765.db2.gz RGZWJXKMDVQHRU-UHFFFAOYSA-N -1 1 298.350 1.888 20 0 CDADMM COCCCN(C)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821687846 599497766 /nfs/dbraw/zinc/49/77/66/599497766.db2.gz RGZWJXKMDVQHRU-UHFFFAOYSA-N -1 1 298.350 1.888 20 0 CDADMM O=C([O-])c1cnc(CN[C@H]2CCC[N@@H+]3CCCC[C@@H]23)s1 ZINC001602521347 1175270810 /nfs/dbraw/zinc/27/08/10/1175270810.db2.gz PQWHQFHYGKYQGG-QWRGUYRKSA-N -1 1 295.408 1.948 20 0 CDADMM CC[C@H](C)CSc1ccc(-c2nnn[n-]2)nn1 ZINC000825066354 608431276 /nfs/dbraw/zinc/43/12/76/608431276.db2.gz CAKURLJHZIZPGL-ZETCQYMHSA-N -1 1 250.331 1.795 20 0 CDADMM CC[C@H](C)CSc1ccc(-c2nn[n-]n2)nn1 ZINC000825066354 608431279 /nfs/dbraw/zinc/43/12/79/608431279.db2.gz CAKURLJHZIZPGL-ZETCQYMHSA-N -1 1 250.331 1.795 20 0 CDADMM O=C(OC[C@@H]1CCCS1)c1sccc1-c1nn[n-]n1 ZINC000823401277 599685485 /nfs/dbraw/zinc/68/54/85/599685485.db2.gz RXMDTQAMWNUCTG-ZETCQYMHSA-N -1 1 296.377 1.981 20 0 CDADMM Cc1cnc(COc2cccc(F)c2-c2nnn[n-]2)o1 ZINC000826318384 607864359 /nfs/dbraw/zinc/86/43/59/607864359.db2.gz GWDMEORAETZMDR-UHFFFAOYSA-N -1 1 275.243 1.881 20 0 CDADMM Cc1cnc(COc2cccc(F)c2-c2nn[n-]n2)o1 ZINC000826318384 607864360 /nfs/dbraw/zinc/86/43/60/607864360.db2.gz GWDMEORAETZMDR-UHFFFAOYSA-N -1 1 275.243 1.881 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)CN1CCOc1ccc(Cl)cc1 ZINC000228608679 600141087 /nfs/dbraw/zinc/14/10/87/600141087.db2.gz UIJZROBLQJSRCB-PWSUYJOCSA-N -1 1 285.727 1.239 20 0 CDADMM CCC[C@](C)(NCC(=O)NCc1ccc(F)cc1)C(=O)[O-] ZINC000036808502 600173551 /nfs/dbraw/zinc/17/35/51/600173551.db2.gz AMVIZVSMHOZSIX-HNNXBMFYSA-N -1 1 296.342 1.675 20 0 CDADMM CC[C@H](C)NC(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405419443 600311076 /nfs/dbraw/zinc/31/10/76/600311076.db2.gz RKMHNSYOEBDING-QWRGUYRKSA-N -1 1 268.357 1.088 20 0 CDADMM C[C@@H](C(=O)Nc1cc(C(=O)[O-])ccn1)N1[C@H](C)CC[C@H]1C ZINC000079703123 600451579 /nfs/dbraw/zinc/45/15/79/600451579.db2.gz GMAZSMVUDYHWLE-MXWKQRLJSA-N -1 1 291.351 1.980 20 0 CDADMM COC[C@H](C)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000831643962 600691010 /nfs/dbraw/zinc/69/10/10/600691010.db2.gz TXXKYGCXAYQLJV-WPRPVWTQSA-N -1 1 298.364 1.176 20 0 CDADMM O=C([O-])c1ccc(OCCN2CC[C@@H](CO)C2)c(Cl)c1 ZINC000833321220 600832482 /nfs/dbraw/zinc/83/24/82/600832482.db2.gz MSCCVKBVTBULNF-SNVBAGLBSA-N -1 1 299.754 1.731 20 0 CDADMM CN(CCC(=O)N(C)CC(=O)[O-])Cc1ccc(Cl)nc1 ZINC000830727251 601006034 /nfs/dbraw/zinc/00/60/34/601006034.db2.gz OZMGMTMSAVNPRU-UHFFFAOYSA-N -1 1 299.758 1.100 20 0 CDADMM Cc1ccc(CNC(=O)CN[C@](C)(C(=O)[O-])C2CC2)cc1 ZINC000832931882 601039738 /nfs/dbraw/zinc/03/97/38/601039738.db2.gz VAXFLMNINKFXBH-INIZCTEOSA-N -1 1 290.363 1.454 20 0 CDADMM C[C@@H](C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1)c1ccco1 ZINC000825990833 601093652 /nfs/dbraw/zinc/09/36/52/601093652.db2.gz QBXPELLKNWPFCZ-NWDGAFQWSA-N -1 1 294.351 1.391 20 0 CDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000062153032 601257646 /nfs/dbraw/zinc/25/76/46/601257646.db2.gz ZEDSKKWYZQVBAC-JTQLQIEISA-N -1 1 272.345 1.402 20 0 CDADMM O=C([O-])[C@H]1CCCN(CN2CC3(CCCC3)CC2=O)C1 ZINC000833189077 601300762 /nfs/dbraw/zinc/30/07/62/601300762.db2.gz LXSIPDYJYSTAHX-LBPRGKRZSA-N -1 1 280.368 1.533 20 0 CDADMM CCC(CC)(CC(=O)[O-])NC(=O)[C@H]1CCCN1C ZINC000828776533 601305547 /nfs/dbraw/zinc/30/55/47/601305547.db2.gz NHSVDLYHSRXKKD-SNVBAGLBSA-N -1 1 256.346 1.230 20 0 CDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@@H](C)C2CC2)CC1 ZINC000825989881 601372940 /nfs/dbraw/zinc/37/29/40/601372940.db2.gz HZSGBXOZBJZYDY-QWRGUYRKSA-N -1 1 268.357 1.040 20 0 CDADMM Cc1c(NC(=O)CCc2nc[nH]n2)cccc1C(=O)[O-] ZINC000832857669 601447977 /nfs/dbraw/zinc/44/79/77/601447977.db2.gz UPQBOMGPEIUMHN-UHFFFAOYSA-N -1 1 274.280 1.383 20 0 CDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)/C=C2/CC[C@@H](C)C2)CC1 ZINC000828200264 601503839 /nfs/dbraw/zinc/50/38/39/601503839.db2.gz DNRZDFTUBLRWSC-RTMZJCHWSA-N -1 1 294.395 1.740 20 0 CDADMM COc1cccc(NC(=O)CN2C[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000227148893 601520856 /nfs/dbraw/zinc/52/08/56/601520856.db2.gz RJZBVRBTQMGJTO-GXFFZTMASA-N -1 1 292.335 1.286 20 0 CDADMM C[C@@H](C(=O)[O-])[C@H](NC(=O)[C@H](C)N(C)C)c1ccccc1 ZINC000826038789 601608602 /nfs/dbraw/zinc/60/86/02/601608602.db2.gz HJZFGLDUCQBJJZ-MDZLAQPJSA-N -1 1 278.352 1.515 20 0 CDADMM Cc1cc(CC(=O)N[C@@H](C(=O)[O-])c2ccccc2)[nH]n1 ZINC000237595236 601673681 /nfs/dbraw/zinc/67/36/81/601673681.db2.gz VBGUMTFTFHUTTC-CYBMUJFWSA-N -1 1 273.292 1.203 20 0 CDADMM O=C([O-])C[C@H]1CSCCN1Cc1cnc2ccnn2c1 ZINC000833221810 601892004 /nfs/dbraw/zinc/89/20/04/601892004.db2.gz QKZNZIZYOCYRCM-NSHDSACASA-N -1 1 292.364 1.121 20 0 CDADMM Cn1cc(S(=O)(=O)Nc2ccc(F)nc2)cc1C(=O)[O-] ZINC000165828902 602156165 /nfs/dbraw/zinc/15/61/65/602156165.db2.gz WSYKHACAHRWSOZ-UHFFFAOYSA-N -1 1 299.283 1.058 20 0 CDADMM C[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1cnccn1 ZINC000825478233 604327339 /nfs/dbraw/zinc/32/73/39/604327339.db2.gz FVLUYWVQRCRZEM-NXEZZACHSA-N -1 1 250.302 1.270 20 0 CDADMM CN1CCO[C@@H]2CN(Cc3ccc(F)cc3C(=O)[O-])C[C@@H]21 ZINC000830963746 604424111 /nfs/dbraw/zinc/42/41/11/604424111.db2.gz FKNYRYIDPWDEBE-UONOGXRCSA-N -1 1 294.326 1.039 20 0 CDADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2nccc(N)n2)C1 ZINC000833419049 604953023 /nfs/dbraw/zinc/95/30/23/604953023.db2.gz DUSHGIIGHHDMMV-SNVBAGLBSA-N -1 1 278.356 1.382 20 0 CDADMM COc1cc(C)cc(CNc2nccnc2-c2nnn[n-]2)c1 ZINC000826178299 607729893 /nfs/dbraw/zinc/72/98/93/607729893.db2.gz RSSHRUCGRNZMEU-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1cc(C)cc(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000826178299 607729896 /nfs/dbraw/zinc/72/98/96/607729896.db2.gz RSSHRUCGRNZMEU-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM C[C@H]1CC[C@H](C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)O1 ZINC000833607314 605059454 /nfs/dbraw/zinc/05/94/54/605059454.db2.gz ZKIKMGLPTDWHCR-OIBJUYFYSA-N -1 1 289.291 1.767 20 0 CDADMM CC(C)N1CCN(C(=O)C2CCC(C(=O)[O-])CC2)CC1 ZINC000111472442 605100188 /nfs/dbraw/zinc/10/01/88/605100188.db2.gz JJFYNJBIZHAGBW-UHFFFAOYSA-N -1 1 282.384 1.430 20 0 CDADMM O=C([O-])c1occc1CNc1ccc2nn[nH]c2c1 ZINC000833785165 605119412 /nfs/dbraw/zinc/11/94/12/605119412.db2.gz HEDZCBLRGPZUQN-UHFFFAOYSA-N -1 1 258.237 1.861 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CN2CCO[C@H](C(C)C)C2)O1 ZINC000833580296 605393441 /nfs/dbraw/zinc/39/34/41/605393441.db2.gz PAJKVYPWLJOJLD-YPMHNXCESA-N -1 1 269.341 1.491 20 0 CDADMM CCSCCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821460889 606134375 /nfs/dbraw/zinc/13/43/75/606134375.db2.gz GCXZTHNXCJJTKM-UHFFFAOYSA-N -1 1 284.366 1.838 20 0 CDADMM CCSCCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821460889 606134377 /nfs/dbraw/zinc/13/43/77/606134377.db2.gz GCXZTHNXCJJTKM-UHFFFAOYSA-N -1 1 284.366 1.838 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C[C@H]1C ZINC000820743084 606419314 /nfs/dbraw/zinc/41/93/14/606419314.db2.gz QEGNVQAEDFVHBD-HTQZYQBOSA-N -1 1 277.353 1.656 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C[C@H]1C ZINC000820743084 606419315 /nfs/dbraw/zinc/41/93/15/606419315.db2.gz QEGNVQAEDFVHBD-HTQZYQBOSA-N -1 1 277.353 1.656 20 0 CDADMM OC[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C1CC1 ZINC000823705039 606468198 /nfs/dbraw/zinc/46/81/98/606468198.db2.gz DJHCXFPCYPDMGZ-QMMMGPOBSA-N -1 1 280.719 1.098 20 0 CDADMM OC[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C1CC1 ZINC000823705039 606468200 /nfs/dbraw/zinc/46/82/00/606468200.db2.gz DJHCXFPCYPDMGZ-QMMMGPOBSA-N -1 1 280.719 1.098 20 0 CDADMM CC1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)s2)CCO1 ZINC000820601110 606509843 /nfs/dbraw/zinc/50/98/43/606509843.db2.gz BVWREPKQDBGPDZ-UHFFFAOYSA-N -1 1 293.352 1.179 20 0 CDADMM CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000820601110 606509844 /nfs/dbraw/zinc/50/98/44/606509844.db2.gz BVWREPKQDBGPDZ-UHFFFAOYSA-N -1 1 293.352 1.179 20 0 CDADMM O=C(NC[C@@H]1CCCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823175313 606530014 /nfs/dbraw/zinc/53/00/14/606530014.db2.gz FNBCELFNHPIECI-QMMMGPOBSA-N -1 1 293.352 1.085 20 0 CDADMM O=C(NC[C@@H]1CCCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823175313 606530015 /nfs/dbraw/zinc/53/00/15/606530015.db2.gz FNBCELFNHPIECI-QMMMGPOBSA-N -1 1 293.352 1.085 20 0 CDADMM C[C@H](N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1)C1(C)CC1 ZINC000820307596 606552506 /nfs/dbraw/zinc/55/25/06/606552506.db2.gz OPFARFARTIHUHG-VIFPVBQESA-N -1 1 286.339 1.522 20 0 CDADMM C[C@H](N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1)C1(C)CC1 ZINC000820307596 606552507 /nfs/dbraw/zinc/55/25/07/606552507.db2.gz OPFARFARTIHUHG-VIFPVBQESA-N -1 1 286.339 1.522 20 0 CDADMM CCO[C@@H](CC)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821350937 606648836 /nfs/dbraw/zinc/64/88/36/606648836.db2.gz GXVKOPQOSYEDHT-NSHDSACASA-N -1 1 291.311 1.120 20 0 CDADMM CCO[C@@H](CC)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821350937 606648837 /nfs/dbraw/zinc/64/88/37/606648837.db2.gz GXVKOPQOSYEDHT-NSHDSACASA-N -1 1 291.311 1.120 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cscn1 ZINC000823440484 606653988 /nfs/dbraw/zinc/65/39/88/606653988.db2.gz VQEPPOMSXDSASK-UHFFFAOYSA-N -1 1 288.292 1.075 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cscn1 ZINC000823440484 606653989 /nfs/dbraw/zinc/65/39/89/606653989.db2.gz VQEPPOMSXDSASK-UHFFFAOYSA-N -1 1 288.292 1.075 20 0 CDADMM FC1(F)CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC000822736585 607131117 /nfs/dbraw/zinc/13/11/17/607131117.db2.gz HKFPEMYFFTWEIQ-SSDOTTSWSA-N -1 1 281.270 1.647 20 0 CDADMM FC1(F)CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC000822736585 607131118 /nfs/dbraw/zinc/13/11/18/607131118.db2.gz HKFPEMYFFTWEIQ-SSDOTTSWSA-N -1 1 281.270 1.647 20 0 CDADMM Cn1cc(CCOc2cccc(F)c2-c2nnn[n-]2)cn1 ZINC000826360627 607864368 /nfs/dbraw/zinc/86/43/68/607864368.db2.gz RRRFPOHZVXSJCM-UHFFFAOYSA-N -1 1 288.286 1.361 20 0 CDADMM Cn1cc(CCOc2cccc(F)c2-c2nn[n-]n2)cn1 ZINC000826360627 607864369 /nfs/dbraw/zinc/86/43/69/607864369.db2.gz RRRFPOHZVXSJCM-UHFFFAOYSA-N -1 1 288.286 1.361 20 0 CDADMM O=C1OCC[C@H]1CCOc1cccc(F)c1-c1nnn[n-]1 ZINC000826483183 607866578 /nfs/dbraw/zinc/86/65/78/607866578.db2.gz DNMIWVWDFDNNEM-MRVPVSSYSA-N -1 1 292.270 1.338 20 0 CDADMM O=C1OCC[C@H]1CCOc1cccc(F)c1-c1nn[n-]n1 ZINC000826483183 607866579 /nfs/dbraw/zinc/86/65/79/607866579.db2.gz DNMIWVWDFDNNEM-MRVPVSSYSA-N -1 1 292.270 1.338 20 0 CDADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1cccnc1 ZINC000095230501 607895168 /nfs/dbraw/zinc/89/51/68/607895168.db2.gz XFYWPWHNYRFFOP-SECBINFHSA-N -1 1 267.296 1.830 20 0 CDADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1cccnc1 ZINC000095230501 607895169 /nfs/dbraw/zinc/89/51/69/607895169.db2.gz XFYWPWHNYRFFOP-SECBINFHSA-N -1 1 267.296 1.830 20 0 CDADMM Cn1cnc2cc(Nc3cccc(-c4nn[n-]n4)n3)ccc21 ZINC000826365677 607901064 /nfs/dbraw/zinc/90/10/64/607901064.db2.gz XYGRPWVYDXVTQA-UHFFFAOYSA-N -1 1 292.306 1.892 20 0 CDADMM CCc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000825718117 607987909 /nfs/dbraw/zinc/98/79/09/607987909.db2.gz WLSVUCIIINCYOR-UHFFFAOYSA-N -1 1 267.296 1.963 20 0 CDADMM CCc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000825718117 607987910 /nfs/dbraw/zinc/98/79/10/607987910.db2.gz WLSVUCIIINCYOR-UHFFFAOYSA-N -1 1 267.296 1.963 20 0 CDADMM CCN(C(=O)Cn1ccnc1-c1nnn[n-]1)c1ccccc1 ZINC000825376554 608012939 /nfs/dbraw/zinc/01/29/39/608012939.db2.gz JLRKBWCYZOIYLM-UHFFFAOYSA-N -1 1 297.322 1.116 20 0 CDADMM CCN(C(=O)Cn1ccnc1-c1nn[n-]n1)c1ccccc1 ZINC000825376554 608012940 /nfs/dbraw/zinc/01/29/40/608012940.db2.gz JLRKBWCYZOIYLM-UHFFFAOYSA-N -1 1 297.322 1.116 20 0 CDADMM c1cn(Cc2csc(-c3ccoc3)n2)c(-c2nnn[n-]2)n1 ZINC000826524668 608013194 /nfs/dbraw/zinc/01/31/94/608013194.db2.gz DTXCCMMRUZOIJL-UHFFFAOYSA-N -1 1 299.319 1.828 20 0 CDADMM c1cn(Cc2csc(-c3ccoc3)n2)c(-c2nn[n-]n2)n1 ZINC000826524668 608013195 /nfs/dbraw/zinc/01/31/95/608013195.db2.gz DTXCCMMRUZOIJL-UHFFFAOYSA-N -1 1 299.319 1.828 20 0 CDADMM CCOCCN(C)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000825594287 608240930 /nfs/dbraw/zinc/24/09/30/608240930.db2.gz JOQFWBOXQGMUAM-UHFFFAOYSA-N -1 1 299.338 1.283 20 0 CDADMM CCOCCN(C)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000825594287 608240931 /nfs/dbraw/zinc/24/09/31/608240931.db2.gz JOQFWBOXQGMUAM-UHFFFAOYSA-N -1 1 299.338 1.283 20 0 CDADMM c1cc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)n[nH]1 ZINC000826523412 608368507 /nfs/dbraw/zinc/36/85/07/608368507.db2.gz MEGRBDDAHZABBL-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1ccc2c(c1)OCC[C@@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826524542 608392874 /nfs/dbraw/zinc/39/28/74/608392874.db2.gz YZPOGHCZGVGHMM-JTQLQIEISA-N -1 1 295.306 1.592 20 0 CDADMM c1ccc2c(c1)OCC[C@@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826524542 608392876 /nfs/dbraw/zinc/39/28/76/608392876.db2.gz YZPOGHCZGVGHMM-JTQLQIEISA-N -1 1 295.306 1.592 20 0 CDADMM C[C@@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000824936595 608417202 /nfs/dbraw/zinc/41/72/02/608417202.db2.gz KBBSMSRZKQKSMN-SECBINFHSA-N -1 1 259.317 1.426 20 0 CDADMM C[C@@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000824936595 608417204 /nfs/dbraw/zinc/41/72/04/608417204.db2.gz KBBSMSRZKQKSMN-SECBINFHSA-N -1 1 259.317 1.426 20 0 CDADMM CCc1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000825711544 608421606 /nfs/dbraw/zinc/42/16/06/608421606.db2.gz FJDFJFIMCQECJT-UHFFFAOYSA-N -1 1 295.350 1.874 20 0 CDADMM CCc1ccc(CCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000825711544 608421608 /nfs/dbraw/zinc/42/16/08/608421608.db2.gz FJDFJFIMCQECJT-UHFFFAOYSA-N -1 1 295.350 1.874 20 0 CDADMM FC(F)(F)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826367895 608426602 /nfs/dbraw/zinc/42/66/02/608426602.db2.gz SILXZTFGDOGYFP-UHFFFAOYSA-N -1 1 259.195 1.021 20 0 CDADMM FC(F)(F)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826367895 608426603 /nfs/dbraw/zinc/42/66/03/608426603.db2.gz SILXZTFGDOGYFP-UHFFFAOYSA-N -1 1 259.195 1.021 20 0 CDADMM O=C(NOC1CCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000826449884 608434701 /nfs/dbraw/zinc/43/47/01/608434701.db2.gz NONKZIJZVUCUIJ-UHFFFAOYSA-N -1 1 279.325 1.532 20 0 CDADMM O=C(NOC1CCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000826449884 608434702 /nfs/dbraw/zinc/43/47/02/608434702.db2.gz NONKZIJZVUCUIJ-UHFFFAOYSA-N -1 1 279.325 1.532 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1N[C@@H]1CC2CCC1CC2 ZINC000826514219 608435131 /nfs/dbraw/zinc/43/51/31/608435131.db2.gz KUIMLVMSLTZXGZ-NWGYLPEXSA-N -1 1 271.328 1.647 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1N[C@@H]1CC2CCC1CC2 ZINC000826514219 608435133 /nfs/dbraw/zinc/43/51/33/608435133.db2.gz KUIMLVMSLTZXGZ-NWGYLPEXSA-N -1 1 271.328 1.647 20 0 CDADMM CC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCO1 ZINC000825148870 608436807 /nfs/dbraw/zinc/43/68/07/608436807.db2.gz UTPLPGAVCAEAFS-PSASIEDQSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCO1 ZINC000825148870 608436808 /nfs/dbraw/zinc/43/68/08/608436808.db2.gz UTPLPGAVCAEAFS-PSASIEDQSA-N -1 1 275.316 1.026 20 0 CDADMM COC[C@@H](C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821682653 608797856 /nfs/dbraw/zinc/79/78/56/608797856.db2.gz LBRZQPHUEPHLIS-ZCFIWIBFSA-N -1 1 268.708 1.362 20 0 CDADMM COC[C@@H](C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821682653 608797857 /nfs/dbraw/zinc/79/78/57/608797857.db2.gz LBRZQPHUEPHLIS-ZCFIWIBFSA-N -1 1 268.708 1.362 20 0 CDADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)[C@H]1CCCOC1 ZINC000824663101 609561629 /nfs/dbraw/zinc/56/16/29/609561629.db2.gz VTZQMHFBOURKNQ-UWVGGRQHSA-N -1 1 274.328 1.489 20 0 CDADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)[C@H]1CCCOC1 ZINC000824663101 609561631 /nfs/dbraw/zinc/56/16/31/609561631.db2.gz VTZQMHFBOURKNQ-UWVGGRQHSA-N -1 1 274.328 1.489 20 0 CDADMM Cc1cnc(C(=O)N2CCOC[C@]2(C)C2CC2)c([O-])c1 ZINC000890588259 617222905 /nfs/dbraw/zinc/22/29/05/617222905.db2.gz NLQNDJRMWGIIOQ-OAHLLOKOSA-N -1 1 276.336 1.737 20 0 CDADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H](O)[C@H](F)C1 ZINC000890705429 617290470 /nfs/dbraw/zinc/29/04/70/617290470.db2.gz NPSHSKSRDVCTPD-NXEZZACHSA-N -1 1 273.691 1.591 20 0 CDADMM CC(C)[S@@](C)(=O)=NC([O-])=CS(=O)(=O)C(C)(C)C ZINC000926057012 617352997 /nfs/dbraw/zinc/35/29/97/617352997.db2.gz RLKLWHRZHYSWSR-MRXNPFEDSA-N -1 1 283.415 1.233 20 0 CDADMM O=S(=O)([N-][C@@H](CCO)C1CC1)c1ccc(C(F)F)o1 ZINC000866860319 617421021 /nfs/dbraw/zinc/42/10/21/617421021.db2.gz WIOHKPGTOXUPLC-QMMMGPOBSA-N -1 1 295.307 1.657 20 0 CDADMM Cc1cccc(CS(=O)(=O)[N-]c2c[nH]cn2)c1 ZINC000519742386 617435362 /nfs/dbraw/zinc/43/53/62/617435362.db2.gz MQMIUQASGGHTKF-UHFFFAOYSA-N -1 1 251.311 1.660 20 0 CDADMM O=C(C[C@H]1CCCO1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891613465 617504402 /nfs/dbraw/zinc/50/44/02/617504402.db2.gz HFOVCRFAQTUHSY-SECBINFHSA-N -1 1 277.324 1.569 20 0 CDADMM CN(C(=O)c1scnc1C1CCCC1)c1nn[n-]n1 ZINC000892954517 617978929 /nfs/dbraw/zinc/97/89/29/617978929.db2.gz KHXAXBBGUMVOGY-UHFFFAOYSA-N -1 1 278.341 1.590 20 0 CDADMM CC[C@@H](C[C@@H](C)CO)Nc1cc(=O)[n-]c(COC)n1 ZINC000892745134 617691340 /nfs/dbraw/zinc/69/13/40/617691340.db2.gz KWJRABYXLLGNHH-ZJUUUORDSA-N -1 1 269.345 1.538 20 0 CDADMM CC(C)OC(=O)c1cc(NC(=O)[C@@H]2CCO[C@H](C)C2)n[nH]1 ZINC000888119088 620750106 /nfs/dbraw/zinc/75/01/06/620750106.db2.gz RZUXXQHGDMPKKP-NXEZZACHSA-N -1 1 295.339 1.729 20 0 CDADMM CCOC1CCN(c2cc(=O)[n-]c(COC)n2)CC1 ZINC000891951711 617823378 /nfs/dbraw/zinc/82/33/78/617823378.db2.gz BAARCNVSLUGJGM-UHFFFAOYSA-N -1 1 267.329 1.334 20 0 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CC(=O)N1CC[C@](C)(C(=O)[N-]OCc2cccc(C)n2)C1 ZINC000898934035 621972284 /nfs/dbraw/zinc/97/22/84/621972284.db2.gz JHBNYHVHSYKSAZ-HNNXBMFYSA-N -1 1 291.351 1.196 20 0 CDADMM COC(=O)CCCN(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900200819 622814331 /nfs/dbraw/zinc/81/43/31/622814331.db2.gz NQCMVBZLBIURIM-UHFFFAOYSA-N -1 1 293.323 1.085 20 0 CDADMM CCn1cc(CNC(=O)c2cnc(C3CC3)[n-]c2=O)cn1 ZINC000900719569 623404270 /nfs/dbraw/zinc/40/42/70/623404270.db2.gz BZVGTTIEECDCDP-UHFFFAOYSA-N -1 1 287.323 1.206 20 0 CDADMM O=C(NCCNc1ccccc1)c1cnc(C2CC2)[n-]c1=O ZINC000900755346 623415967 /nfs/dbraw/zinc/41/59/67/623415967.db2.gz HVTMTFDXYYHSDN-UHFFFAOYSA-N -1 1 298.346 1.902 20 0 CDADMM CCC[C@@H](NC(=O)[C@H]1CCN1C(C)(C)C)c1nnn[n-]1 ZINC000900983005 623751119 /nfs/dbraw/zinc/75/11/19/623751119.db2.gz HRUKEHDGCOAMML-NXEZZACHSA-N -1 1 280.376 1.030 20 0 CDADMM O=C(NCCC1CCC1)c1cnc(C2CC2)[n-]c1=O ZINC000901009624 623796707 /nfs/dbraw/zinc/79/67/07/623796707.db2.gz RKBNUJYSCYLJJV-UHFFFAOYSA-N -1 1 261.325 1.980 20 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626977363 /nfs/dbraw/zinc/97/73/63/626977363.db2.gz JZPCBBPITNNBBC-LLVKDONJSA-N -1 1 289.339 1.422 20 0 CDADMM C[C@](Cn1cccn1)(NCc1ccncc1F)C(=O)[O-] ZINC000905807799 626983858 /nfs/dbraw/zinc/98/38/58/626983858.db2.gz NPKQQGSTLJRKKV-CYBMUJFWSA-N -1 1 278.287 1.050 20 0 CDADMM C/C=C(/CC)C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907479112 627695888 /nfs/dbraw/zinc/69/58/88/627695888.db2.gz JJZTUKSRYGDBKK-CHDHTGKKSA-N -1 1 267.358 1.173 20 0 CDADMM CO[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)CC[C@H]1C ZINC000907620881 627745186 /nfs/dbraw/zinc/74/51/86/627745186.db2.gz HBNSLJXCIDINER-BXKDBHETSA-N -1 1 291.351 1.557 20 0 CDADMM CCOC(=O)[C@H]1CSCN1C(=O)c1ccc([O-])c(F)c1 ZINC000907903660 627894519 /nfs/dbraw/zinc/89/45/19/627894519.db2.gz SJPCWPFFAZZLJM-SNVBAGLBSA-N -1 1 299.323 1.610 20 0 CDADMM C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12 ZINC000907953064 627921549 /nfs/dbraw/zinc/92/15/49/627921549.db2.gz NHUPCYPYPWCRML-AJSWTNHPSA-N -1 1 294.395 1.475 20 0 CDADMM 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O=c1[n-]c2nc(=O)[nH]c(Nc3cccc4c3OCC4)c2[nH]1 ZINC001170216878 1162303102 /nfs/dbraw/zinc/30/31/02/1162303102.db2.gz DSGVUPJVFOCKDM-UHFFFAOYSA-N -1 1 285.263 1.394 20 0 CDADMM O=c1[n-]c2nc(=O)[nH]c(Nc3ccc4c(c3)OCO4)c2[nH]1 ZINC001170217254 1162303519 /nfs/dbraw/zinc/30/35/19/1162303519.db2.gz GSYQECJZUMSWBD-UHFFFAOYSA-N -1 1 287.235 1.188 20 0 CDADMM Nc1noc2cc(Nc3[nH]c(=O)nc4[n-]c(=O)[nH]c43)ccc12 ZINC001170220923 1162303781 /nfs/dbraw/zinc/30/37/81/1162303781.db2.gz YVXHCKYDRPOALA-UHFFFAOYSA-N -1 1 299.250 1.183 20 0 CDADMM CCc1nc(Nc2[n-]c(=O)nc3nc[nH]c32)ncc1F ZINC001170226739 1162316615 /nfs/dbraw/zinc/31/66/15/1162316615.db2.gz RSHRITMEOZIODT-UHFFFAOYSA-N -1 1 275.247 1.294 20 0 CDADMM C[C@H]1Cc2cc(C(=O)Nc3c[n-][nH]c3=O)ccc2O1 ZINC001648816435 1158575988 /nfs/dbraw/zinc/57/59/88/1158575988.db2.gz UOJQTEQMVFDIGN-ZETCQYMHSA-N -1 1 259.265 1.691 20 0 CDADMM O=C(NCc1c[nH]c(=O)[nH]1)c1ccc2ccccc2c1[O-] ZINC000379966761 1159761536 /nfs/dbraw/zinc/76/15/36/1159761536.db2.gz 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COC[C@H](Nc1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001605059806 1163437317 /nfs/dbraw/zinc/43/73/17/1163437317.db2.gz QEULRARXUNHUIJ-VIFPVBQESA-N -1 1 287.283 1.049 20 0 CDADMM COC[C@H](Nc1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001605059806 1163437321 /nfs/dbraw/zinc/43/73/21/1163437321.db2.gz QEULRARXUNHUIJ-VIFPVBQESA-N -1 1 287.283 1.049 20 0 CDADMM COCc1ccccc1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001605133828 1163462555 /nfs/dbraw/zinc/46/25/55/1163462555.db2.gz VBWJJBPFSYWHOG-UHFFFAOYSA-N -1 1 297.322 1.415 20 0 CDADMM COCc1ccccc1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001605133828 1163462558 /nfs/dbraw/zinc/46/25/58/1163462558.db2.gz VBWJJBPFSYWHOG-UHFFFAOYSA-N -1 1 297.322 1.415 20 0 CDADMM CO[C@@H]1CCCC[C@H]1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001605145094 1163466833 /nfs/dbraw/zinc/46/68/33/1163466833.db2.gz SYFOSXMMOZXKPR-MWLCHTKSSA-N -1 1 289.343 1.335 20 0 CDADMM CO[C@@H]1CCCC[C@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001605145094 1163466838 /nfs/dbraw/zinc/46/68/38/1163466838.db2.gz SYFOSXMMOZXKPR-MWLCHTKSSA-N -1 1 289.343 1.335 20 0 CDADMM CCCCSCCC(=O)N1CCN(CC(=O)[O-])CC1 ZINC001605290358 1163515617 /nfs/dbraw/zinc/51/56/17/1163515617.db2.gz HYIUAZRDNQUYRA-UHFFFAOYSA-N -1 1 288.413 1.139 20 0 CDADMM C[C@]12CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001605450581 1163569705 /nfs/dbraw/zinc/56/97/05/1163569705.db2.gz FDPWGSJSOXURMF-BQVMBELUSA-N -1 1 295.350 1.305 20 0 CDADMM C[C@]12CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001605450581 1163569709 /nfs/dbraw/zinc/56/97/09/1163569709.db2.gz FDPWGSJSOXURMF-BQVMBELUSA-N -1 1 295.350 1.305 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](C)[C@H]2C)c1 ZINC001605560225 1163609994 /nfs/dbraw/zinc/60/99/94/1163609994.db2.gz QLASXIHDTAMLBA-VHSXEESVSA-N -1 1 258.329 1.805 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](C)[C@H]2C)c1 ZINC001605560225 1163609998 /nfs/dbraw/zinc/60/99/98/1163609998.db2.gz QLASXIHDTAMLBA-VHSXEESVSA-N -1 1 258.329 1.805 20 0 CDADMM Cc1cc(CNc2cnc(-c3nnn[n-]3)cn2)cc(C)c1O ZINC001605661826 1163639080 /nfs/dbraw/zinc/63/90/80/1163639080.db2.gz MCWOHIWWLCRMEW-UHFFFAOYSA-N -1 1 297.322 1.591 20 0 CDADMM Cc1cc(CNc2cnc(-c3nn[n-]n3)cn2)cc(C)c1O ZINC001605661826 1163639084 /nfs/dbraw/zinc/63/90/84/1163639084.db2.gz MCWOHIWWLCRMEW-UHFFFAOYSA-N -1 1 297.322 1.591 20 0 CDADMM CC[S@](=O)CCN[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001605736311 1163655214 /nfs/dbraw/zinc/65/52/14/1163655214.db2.gz NSHSJSFLVTVTDF-QPFGOUBPSA-N -1 1 259.327 1.397 20 0 CDADMM Cc1ccc(-c2nnn[n-]2)nc1N1C[C@@H]2CCCC[C@@H]21 ZINC001605802986 1163675428 /nfs/dbraw/zinc/67/54/28/1163675428.db2.gz SHUQJSUWDWHSKT-JQWIXIFHSA-N -1 1 270.340 1.949 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1C[C@@H]2CCCC[C@@H]21 ZINC001605802986 1163675432 /nfs/dbraw/zinc/67/54/32/1163675432.db2.gz SHUQJSUWDWHSKT-JQWIXIFHSA-N -1 1 270.340 1.949 20 0 CDADMM CCc1nnc([C@H](C)OC(=O)[C@@H](CC)C(=O)[O-])[nH]1 ZINC001605842628 1163685351 /nfs/dbraw/zinc/68/53/51/1163685351.db2.gz OKHFZSVMZRLJEW-BQBZGAKWSA-N -1 1 255.274 1.082 20 0 CDADMM Cc1ccn(CC2CC=CC2)c(=O)c1-c1nn[n-]n1 ZINC001605948534 1163724608 /nfs/dbraw/zinc/72/46/08/1163724608.db2.gz AYNKPXVVSJQSDI-UHFFFAOYSA-N -1 1 257.297 1.303 20 0 CDADMM Cc1coc(C)c1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001605996074 1163740298 /nfs/dbraw/zinc/74/02/98/1163740298.db2.gz JZVMPTMHEKPYPC-UHFFFAOYSA-N -1 1 299.290 1.829 20 0 CDADMM Cc1coc(C)c1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001605996074 1163740306 /nfs/dbraw/zinc/74/03/06/1163740306.db2.gz JZVMPTMHEKPYPC-UHFFFAOYSA-N -1 1 299.290 1.829 20 0 CDADMM Cc1nc(NCCCOC(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001606073768 1163762528 /nfs/dbraw/zinc/76/25/28/1163762528.db2.gz SVRXMSPPHZDOCI-UHFFFAOYSA-N -1 1 291.359 1.582 20 0 CDADMM Cc1nc(NCCCOC(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001606073768 1163762536 /nfs/dbraw/zinc/76/25/36/1163762536.db2.gz SVRXMSPPHZDOCI-UHFFFAOYSA-N -1 1 291.359 1.582 20 0 CDADMM Cc1nn(C)c(NC(=O)CC2CCC2)c1-c1nnn[n-]1 ZINC001606110410 1163774949 /nfs/dbraw/zinc/77/49/49/1163774949.db2.gz SLGVSSARIKFKNG-UHFFFAOYSA-N -1 1 275.316 1.037 20 0 CDADMM Cc1nn(C)c(NC(=O)CC2CCC2)c1-c1nn[n-]n1 ZINC001606110410 1163774958 /nfs/dbraw/zinc/77/49/58/1163774958.db2.gz SLGVSSARIKFKNG-UHFFFAOYSA-N -1 1 275.316 1.037 20 0 CDADMM Cc1nn(C)c(NC(=O)C=Cc2ccco2)c1-c1nnn[n-]1 ZINC001606110052 1163775494 /nfs/dbraw/zinc/77/54/94/1163775494.db2.gz IXGHEFGJOSWCPS-WAYWQWQTSA-N -1 1 299.294 1.154 20 0 CDADMM Cc1nn(C)c(NC(=O)C=Cc2ccco2)c1-c1nn[n-]n1 ZINC001606110052 1163775499 /nfs/dbraw/zinc/77/54/99/1163775499.db2.gz IXGHEFGJOSWCPS-WAYWQWQTSA-N -1 1 299.294 1.154 20 0 CDADMM Cc1[nH]sc(=NOC[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC001606162743 1163793515 /nfs/dbraw/zinc/79/35/15/1163793515.db2.gz LEKLKOUULCSHIJ-ZETCQYMHSA-N -1 1 282.329 1.012 20 0 CDADMM Fc1cccc(COc2cnc(-c3nn[n-]n3)nc2)c1F ZINC001606327785 1163861467 /nfs/dbraw/zinc/86/14/67/1163861467.db2.gz IYSGEUDKQIGMMR-UHFFFAOYSA-N -1 1 290.233 1.514 20 0 CDADMM O=C(N[C@@H]1CC2CCC1CC2)c1coc(-c2nnn[n-]2)c1 ZINC001606655168 1163947355 /nfs/dbraw/zinc/94/73/55/1163947355.db2.gz FOJJQGNONHHXIH-NWGYLPEXSA-N -1 1 287.323 1.768 20 0 CDADMM O=C(N[C@@H]1CC2CCC1CC2)c1coc(-c2nn[n-]n2)c1 ZINC001606655168 1163947363 /nfs/dbraw/zinc/94/73/63/1163947363.db2.gz FOJJQGNONHHXIH-NWGYLPEXSA-N -1 1 287.323 1.768 20 0 CDADMM O=C(NCC[C@H]1CC1(F)F)c1coc(-c2nnn[n-]2)c1 ZINC001606762805 1163985480 /nfs/dbraw/zinc/98/54/80/1163985480.db2.gz YIIKFJDVWYMLNE-ZETCQYMHSA-N -1 1 283.238 1.235 20 0 CDADMM O=C(NCC[C@H]1CC1(F)F)c1coc(-c2nn[n-]n2)c1 ZINC001606762805 1163985484 /nfs/dbraw/zinc/98/54/84/1163985484.db2.gz YIIKFJDVWYMLNE-ZETCQYMHSA-N -1 1 283.238 1.235 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001606892658 1164025447 /nfs/dbraw/zinc/02/54/47/1164025447.db2.gz SSCWWXLMBZEQRX-AYMMMOKOSA-N -1 1 287.327 1.355 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001606892658 1164025454 /nfs/dbraw/zinc/02/54/54/1164025454.db2.gz SSCWWXLMBZEQRX-AYMMMOKOSA-N -1 1 287.327 1.355 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C1(C(F)F)CC1 ZINC001606933058 1164032941 /nfs/dbraw/zinc/03/29/41/1164032941.db2.gz FMLWXJAMWWXWHO-UHFFFAOYSA-N -1 1 280.238 1.246 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C1(C(F)F)CC1 ZINC001606933058 1164032947 /nfs/dbraw/zinc/03/29/47/1164032947.db2.gz FMLWXJAMWWXWHO-UHFFFAOYSA-N -1 1 280.238 1.246 20 0 CDADMM c1c(-c2nn[n-]n2)nnn1C[C@@H]1CCCC12CCOCC2 ZINC001607114214 1164093798 /nfs/dbraw/zinc/09/37/98/1164093798.db2.gz ICDVBWXAXJBUGI-JTQLQIEISA-N -1 1 289.343 1.055 20 0 CDADMM c1[nH]nc(NCc2cnc3ccccc3c2)c1-c1nnn[n-]1 ZINC001607131859 1164110663 /nfs/dbraw/zinc/11/06/63/1164110663.db2.gz MZKUUEIJHXBPBH-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1[nH]nc(NCc2cnc3ccccc3c2)c1-c1nn[n-]n1 ZINC001607131859 1164110669 /nfs/dbraw/zinc/11/06/69/1164110669.db2.gz MZKUUEIJHXBPBH-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1ccc2c(c1)CC[C@H]2CNc1ncncc1-c1nn[n-]n1 ZINC001607132980 1164113342 /nfs/dbraw/zinc/11/33/42/1164113342.db2.gz WEUUOJHWTMVONU-NSHDSACASA-N -1 1 293.334 1.799 20 0 CDADMM c1coc(CNCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001607135905 1164114035 /nfs/dbraw/zinc/11/40/35/1164114035.db2.gz SQONUAMMQLCKLE-UHFFFAOYSA-N -1 1 262.298 1.206 20 0 CDADMM c1coc(CNCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001607135905 1164114042 /nfs/dbraw/zinc/11/40/42/1164114042.db2.gz SQONUAMMQLCKLE-UHFFFAOYSA-N -1 1 262.298 1.206 20 0 CDADMM c1csc(CNc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001607136478 1164116760 /nfs/dbraw/zinc/11/67/60/1164116760.db2.gz FVVGVNVFQZBDLE-UHFFFAOYSA-N -1 1 259.298 1.330 20 0 CDADMM c1csc(CNc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001607136478 1164116763 /nfs/dbraw/zinc/11/67/63/1164116763.db2.gz FVVGVNVFQZBDLE-UHFFFAOYSA-N -1 1 259.298 1.330 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NCCC1CCCC1 ZINC001607138196 1164118386 /nfs/dbraw/zinc/11/83/86/1164118386.db2.gz CRPMXDKSMBBJNV-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NCCC1CCCC1 ZINC001607138196 1164118390 /nfs/dbraw/zinc/11/83/90/1164118390.db2.gz CRPMXDKSMBBJNV-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM C[C@@H]1CN(C(=O)c2cc(F)cc(F)c2O)C[C@H]1C(=O)[O-] ZINC001607435178 1164179678 /nfs/dbraw/zinc/17/96/78/1164179678.db2.gz YYYHNXNJRKGUBH-HZGVNTEJSA-N -1 1 285.246 1.463 20 0 CDADMM C[C@@H]1CN(Cc2cc(C(=O)[O-])co2)[C@H](C)CCO1 ZINC001607438105 1164181110 /nfs/dbraw/zinc/18/11/10/1164181110.db2.gz WWDQRIDXDGLKSH-NXEZZACHSA-N -1 1 253.298 1.977 20 0 CDADMM C[C@H](C(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1)N(C)C ZINC001607449898 1164185641 /nfs/dbraw/zinc/18/56/41/1164185641.db2.gz XHJAXRGBMBNCNR-LLVKDONJSA-N -1 1 294.351 1.059 20 0 CDADMM Cc1cc(CCC(=O)N2CCc3cc(C(=O)[O-])ccc32)n[nH]1 ZINC001607638226 1164250039 /nfs/dbraw/zinc/25/00/39/1164250039.db2.gz OLVQCKACZICVJP-UHFFFAOYSA-N -1 1 299.330 1.938 20 0 CDADMM Cc1cc(CN2[C@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)ncn1 ZINC001607640163 1164252962 /nfs/dbraw/zinc/25/29/62/1164252962.db2.gz LPZQLBKWCFUBPD-SAXRGWBVSA-N -1 1 291.351 1.380 20 0 CDADMM Cc1ccc(NCc2n[nH]c(C(C)C)n2)nc1C(=O)[O-] ZINC001607808092 1164303024 /nfs/dbraw/zinc/30/30/24/1164303024.db2.gz BZYUJYPNYOHBBT-UHFFFAOYSA-N -1 1 275.312 1.942 20 0 CDADMM Cc1[nH]ncc1CN(C)C(=O)C=Cc1ccc(C(=O)[O-])o1 ZINC001607938862 1164345649 /nfs/dbraw/zinc/34/56/49/1164345649.db2.gz CVQXAVXWMNJBNT-GQCTYLIASA-N -1 1 289.291 1.681 20 0 CDADMM Cc1nc(CN2CCSC[C@H](C(=O)[O-])C2)c(C)o1 ZINC001607955346 1164352551 /nfs/dbraw/zinc/35/25/51/1164352551.db2.gz DYJTWXKRWZWHGQ-SNVBAGLBSA-N -1 1 270.354 1.541 20 0 CDADMM Nc1nc2c(c(N[C@H]3CC[C@@H](C(=O)[O-])C3)n1)CCCC2 ZINC001608276657 1164477587 /nfs/dbraw/zinc/47/75/87/1164477587.db2.gz HAJTXJKDBVPADF-BDAKNGLRSA-N -1 1 276.340 1.603 20 0 CDADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1ccsc1)C[C@H]2C(=O)[O-] ZINC001608610571 1164573008 /nfs/dbraw/zinc/57/30/08/1164573008.db2.gz LIAGKJFPANAMEA-CVZZAPKMSA-N -1 1 295.360 1.746 20 0 CDADMM O=C([O-])Cn1cc(CN2CC[C@@H]3CCCC[C@@H]3C2)nn1 ZINC001608797085 1164640827 /nfs/dbraw/zinc/64/08/27/1164640827.db2.gz NPVFTGKPFSHWKA-NWDGAFQWSA-N -1 1 278.356 1.375 20 0 CDADMM O=C([O-])[C@@H]1[C@H](CNc2ccncc2C(F)(F)F)C1(F)F ZINC001608816126 1164647666 /nfs/dbraw/zinc/64/76/66/1164647666.db2.gz VEEPNTJQSMHUJQ-XPUUQOCRSA-N -1 1 296.195 1.900 20 0 CDADMM O=C([O-])[C@@H]1OCC[C@@H]1NCc1cnc(-c2ccccc2)o1 ZINC001608815652 1164647816 /nfs/dbraw/zinc/64/78/16/1164647816.db2.gz PKCXLBDAEZHTBW-QWHCGFSZSA-N -1 1 288.303 1.673 20 0 CDADMM O=C([O-])c1ccc(CNCc2cccc3nccn32)o1 ZINC001608887363 1164676892 /nfs/dbraw/zinc/67/68/92/1164676892.db2.gz UEZYZKLTKHNFKN-UHFFFAOYSA-N -1 1 271.276 1.915 20 0 CDADMM O=C([O-])c1ccc(CN[C@@H]2CCCC(F)(F)[C@H]2O)nc1 ZINC001608887769 1164677262 /nfs/dbraw/zinc/67/72/62/1164677262.db2.gz APKWEDQORJUMMD-MNOVXSKESA-N -1 1 286.278 1.418 20 0 CDADMM O=C([O-])c1ccc(Cl)c(CNC2(CO)CC2)c1 ZINC001608892336 1164678789 /nfs/dbraw/zinc/67/87/89/1164678789.db2.gz LGNLFEPCMDKSEG-UHFFFAOYSA-N -1 1 255.701 1.653 20 0 CDADMM CC(C)[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCS1 ZINC001609091786 1164768349 /nfs/dbraw/zinc/76/83/49/1164768349.db2.gz RNIXPBHFHCWDIU-JTQLQIEISA-N -1 1 291.384 1.235 20 0 CDADMM CC(C)[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCS1 ZINC001609091786 1164768355 /nfs/dbraw/zinc/76/83/55/1164768355.db2.gz RNIXPBHFHCWDIU-JTQLQIEISA-N -1 1 291.384 1.235 20 0 CDADMM CC1(C)C[C@@H]1C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001609144339 1164794035 /nfs/dbraw/zinc/79/40/35/1164794035.db2.gz RGHZDRZQVXZTRI-ZCFIWIBFSA-N -1 1 279.325 1.413 20 0 CDADMM CC1(C)C[C@@H]1C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001609144339 1164794042 /nfs/dbraw/zinc/79/40/42/1164794042.db2.gz RGHZDRZQVXZTRI-ZCFIWIBFSA-N -1 1 279.325 1.413 20 0 CDADMM C[C@H]1CC(Nc2cncc(-c3nnn[n-]3)n2)C[C@H](C)C1 ZINC001609154132 1164802496 /nfs/dbraw/zinc/80/24/96/1164802496.db2.gz KGPFHYWBNQQFQQ-RKDXNWHRSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@H]1CC(Nc2cncc(-c3nn[n-]n3)n2)C[C@H](C)C1 ZINC001609154132 1164802499 /nfs/dbraw/zinc/80/24/99/1164802499.db2.gz KGPFHYWBNQQFQQ-RKDXNWHRSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@H]1CC[C@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609161670 1164808023 /nfs/dbraw/zinc/80/80/23/1164808023.db2.gz XKTZSXHVPPJUOP-YUMQZZPRSA-N -1 1 261.285 1.473 20 0 CDADMM C[C@H]1CC[C@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609161670 1164808030 /nfs/dbraw/zinc/80/80/30/1164808030.db2.gz XKTZSXHVPPJUOP-YUMQZZPRSA-N -1 1 261.285 1.473 20 0 CDADMM C[C@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)C[C@@H]1F ZINC001609168906 1164813371 /nfs/dbraw/zinc/81/33/71/1164813371.db2.gz QPTOHDLUEYBGQH-WPRPVWTQSA-N -1 1 262.292 1.446 20 0 CDADMM C[C@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)C[C@@H]1F ZINC001609168906 1164813377 /nfs/dbraw/zinc/81/33/77/1164813377.db2.gz QPTOHDLUEYBGQH-WPRPVWTQSA-N -1 1 262.292 1.446 20 0 CDADMM CC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)oc2C)CCO1 ZINC001609201187 1164841897 /nfs/dbraw/zinc/84/18/97/1164841897.db2.gz BKAXJAANURKAHW-VIFPVBQESA-N -1 1 291.311 1.019 20 0 CDADMM CC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)oc2C)CCO1 ZINC001609201187 1164841905 /nfs/dbraw/zinc/84/19/05/1164841905.db2.gz BKAXJAANURKAHW-VIFPVBQESA-N -1 1 291.311 1.019 20 0 CDADMM CC[C@@H]1CN(c2cc(C)nc(-c3nnn[n-]3)c2)CCCO1 ZINC001609202978 1164843416 /nfs/dbraw/zinc/84/34/16/1164843416.db2.gz TWVIATNSASELHF-GFCCVEGCSA-N -1 1 288.355 1.575 20 0 CDADMM CC[C@@H]1CN(c2cc(C)nc(-c3nn[n-]n3)c2)CCCO1 ZINC001609202978 1164843421 /nfs/dbraw/zinc/84/34/21/1164843421.db2.gz TWVIATNSASELHF-GFCCVEGCSA-N -1 1 288.355 1.575 20 0 CDADMM CCOC[C@@H]1CCN(c2cc(C)nc(-c3nnn[n-]3)c2)C1 ZINC001609240353 1164860851 /nfs/dbraw/zinc/86/08/51/1164860851.db2.gz YXTBHIPQEFKHHB-LLVKDONJSA-N -1 1 288.355 1.433 20 0 CDADMM CCOC[C@@H]1CCN(c2cc(C)nc(-c3nn[n-]n3)c2)C1 ZINC001609240353 1164860854 /nfs/dbraw/zinc/86/08/54/1164860854.db2.gz YXTBHIPQEFKHHB-LLVKDONJSA-N -1 1 288.355 1.433 20 0 CDADMM CCc1csc(=O)n1Cc1ccnc(-c2nnn[n-]2)c1 ZINC001609254204 1164866347 /nfs/dbraw/zinc/86/63/47/1164866347.db2.gz PMPWWCZMJUNOLA-UHFFFAOYSA-N -1 1 288.336 1.096 20 0 CDADMM CCc1csc(=O)n1Cc1ccnc(-c2nn[n-]n2)c1 ZINC001609254204 1164866350 /nfs/dbraw/zinc/86/63/50/1164866350.db2.gz PMPWWCZMJUNOLA-UHFFFAOYSA-N -1 1 288.336 1.096 20 0 CDADMM COCCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001609327222 1164905127 /nfs/dbraw/zinc/90/51/27/1164905127.db2.gz CZSDOEDFKPEJOY-UHFFFAOYSA-N -1 1 260.710 1.035 20 0 CDADMM Cc1cc(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)c(C)[nH]1 ZINC001609395366 1164924921 /nfs/dbraw/zinc/92/49/21/1164924921.db2.gz BCJPNVXCEMQERJ-UHFFFAOYSA-N -1 1 286.299 1.095 20 0 CDADMM Cc1cc(N[C@H]2C[C@@H](OC(C)C)C2)cc(-c2nnn[n-]2)n1 ZINC001609410195 1164937340 /nfs/dbraw/zinc/93/73/40/1164937340.db2.gz PLQDFKGHAZXPSB-TXEJJXNPSA-N -1 1 288.355 1.360 20 0 CDADMM Cc1cc(N[C@H]2C[C@@H](OC(C)C)C2)cc(-c2nn[n-]n2)n1 ZINC001609410195 1164937343 /nfs/dbraw/zinc/93/73/43/1164937343.db2.gz PLQDFKGHAZXPSB-TXEJJXNPSA-N -1 1 288.355 1.360 20 0 CDADMM Cc1cccc2c1CCN(c1ncncc1-c1nn[n-]n1)C2 ZINC001609434390 1164945877 /nfs/dbraw/zinc/94/58/77/1164945877.db2.gz BZGBKIPWNBSPRS-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM Cc1nsc(N2CC[C@@H](F)C2)c1-c1nn[n-]n1 ZINC001609464636 1164962767 /nfs/dbraw/zinc/96/27/67/1164962767.db2.gz BAPAPMVBURBHJK-ZCFIWIBFSA-N -1 1 254.294 1.180 20 0 CDADMM FC(F)CN(CC1CCC1)c1cc(-c2nnn[n-]2)ncn1 ZINC001609486432 1164971479 /nfs/dbraw/zinc/97/14/79/1164971479.db2.gz SXRSDHQJJLHYJY-UHFFFAOYSA-N -1 1 295.297 1.528 20 0 CDADMM FC(F)CN(CC1CCC1)c1cc(-c2nn[n-]n2)ncn1 ZINC001609486432 1164971486 /nfs/dbraw/zinc/97/14/86/1164971486.db2.gz SXRSDHQJJLHYJY-UHFFFAOYSA-N -1 1 295.297 1.528 20 0 CDADMM O=C(OCc1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC001609577878 1164997107 /nfs/dbraw/zinc/99/71/07/1164997107.db2.gz YEILPOLNQPLNPB-UHFFFAOYSA-N -1 1 281.275 1.619 20 0 CDADMM O=C(OCc1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC001609577878 1164997114 /nfs/dbraw/zinc/99/71/14/1164997114.db2.gz YEILPOLNQPLNPB-UHFFFAOYSA-N -1 1 281.275 1.619 20 0 CDADMM c1cc(NCCO[C@H]2CCCCO2)nc(-c2nnn[n-]2)c1 ZINC001609614633 1165008460 /nfs/dbraw/zinc/00/84/60/1165008460.db2.gz FVHOXXYAMNBNBK-LBPRGKRZSA-N -1 1 290.327 1.217 20 0 CDADMM c1cc(NCCO[C@H]2CCCCO2)nc(-c2nn[n-]n2)c1 ZINC001609614633 1165008468 /nfs/dbraw/zinc/00/84/68/1165008468.db2.gz FVHOXXYAMNBNBK-LBPRGKRZSA-N -1 1 290.327 1.217 20 0 CDADMM CN(Cc1ccco1)C(=O)CN[C@](C)(C(=O)[O-])C1CC1 ZINC001610125054 1165224135 /nfs/dbraw/zinc/22/41/35/1165224135.db2.gz CVJBSIVQRZZMMX-AWEZNQCLSA-N -1 1 280.324 1.081 20 0 CDADMM Cc1[n-]n(-c2nccnc2Cl)c(=O)c1C1CC1 ZINC000871952314 1165364096 /nfs/dbraw/zinc/36/40/96/1165364096.db2.gz XFHSQPYCXBOBSR-QMMMGPOBSA-N -1 1 250.689 1.879 20 0 CDADMM Cn1cc(C(C)(C)N[C@H](C(=O)[O-])c2cccnc2)cn1 ZINC001610602315 1165371980 /nfs/dbraw/zinc/37/19/80/1165371980.db2.gz XVZIFXYXCMSBLG-LBPRGKRZSA-N -1 1 274.324 1.466 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2C[N@H+](Cc3nc(=O)c4sccc4[n-]3)C[C@@H]21 ZINC001610803864 1165447700 /nfs/dbraw/zinc/44/77/00/1165447700.db2.gz MVBHWVXDWUKBCF-MTBHXBHISA-N -1 1 291.332 1.159 20 0 CDADMM O=C([O-])c1ccc(CN2CC[C@H](Nc3ncccn3)C2)o1 ZINC001610825825 1165454786 /nfs/dbraw/zinc/45/47/86/1165454786.db2.gz KXKWEHRAMMKYLB-JTQLQIEISA-N -1 1 288.307 1.454 20 0 CDADMM O=C([O-])c1ccoc1CN1CC[C@@H](N2CCCC2=O)C1 ZINC001610855358 1165464721 /nfs/dbraw/zinc/46/47/21/1165464721.db2.gz 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/nfs/dbraw/zinc/35/02/11/1166350211.db2.gz ZLUWXPOKFPEGPL-UHFFFAOYSA-N -1 1 298.306 1.003 20 0 CDADMM CCCCCn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC000095170995 1166604872 /nfs/dbraw/zinc/60/48/72/1166604872.db2.gz RZKSMQQQADLOEB-UHFFFAOYSA-N -1 1 262.317 1.230 20 0 CDADMM COc1ccc(OC)c(C(=O)Nc2c[n-][nH]c2=O)c1 ZINC001638735352 1166867178 /nfs/dbraw/zinc/86/71/78/1166867178.db2.gz DTBVGRAEWZGVHS-UHFFFAOYSA-N -1 1 263.253 1.385 20 0 CDADMM CC(C)C[C@H](CO)NC(=O)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155269454 1167111545 /nfs/dbraw/zinc/11/15/45/1167111545.db2.gz HANBRWFJJRNRFI-SECBINFHSA-N -1 1 277.324 1.405 20 0 CDADMM O=C([O-])c1cncc(CN2CCS[C@@H]3COCC[C@H]32)c1 ZINC001646496710 1167881732 /nfs/dbraw/zinc/88/17/32/1167881732.db2.gz ZSLWHLCUMXZTPF-CHWSQXEVSA-N -1 1 294.376 1.486 20 0 CDADMM CCC[C@H](NC(=O)c1cccc2c1CCN2)c1nn[n-]n1 ZINC001646739986 1168077227 /nfs/dbraw/zinc/07/72/27/1168077227.db2.gz VLZYTUFWIWMUMN-LBPRGKRZSA-N -1 1 286.339 1.439 20 0 CDADMM CC[C@@H](Sc1ccccc1)C(=O)OCc1nn[n-]n1 ZINC001646883409 1168225848 /nfs/dbraw/zinc/22/58/48/1168225848.db2.gz MRLGXBYCQBQQJD-SNVBAGLBSA-N -1 1 278.337 1.814 20 0 CDADMM O=C([O-])[C@H](CCc1ccccc1)NCc1ccc(CO)o1 ZINC001647411726 1168660115 /nfs/dbraw/zinc/66/01/15/1168660115.db2.gz DJASUZQAIFPACH-HNNXBMFYSA-N -1 1 289.331 1.948 20 0 CDADMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@H]2CCC[C@@H](F)C2)C1 ZINC001647422301 1168675746 /nfs/dbraw/zinc/67/57/46/1168675746.db2.gz RFTHAGXCECYGSF-TUAOUCFPSA-N -1 1 286.347 1.180 20 0 CDADMM CCSCc1ccc(C(=O)N(C)c2nn[n-]n2)cc1 ZINC001649999072 1169587196 /nfs/dbraw/zinc/58/71/96/1169587196.db2.gz MMMGRQWRGZBDOZ-UHFFFAOYSA-N -1 1 277.353 1.729 20 0 CDADMM C[C@@H](C(=O)N(C)c1nn[n-]n1)c1ccc(C(F)(F)F)cc1 ZINC001650000110 1169587364 /nfs/dbraw/zinc/58/73/64/1169587364.db2.gz UHNYXZJRMNYMRE-SSDOTTSWSA-N -1 1 299.256 1.985 20 0 CDADMM Cc1cc(CCC(=O)NC[C@@H](CC(C)C)NC(=O)[O-])n[nH]1 ZINC001574133925 1170893081 /nfs/dbraw/zinc/89/30/81/1170893081.db2.gz HITBMHWWBUZFKS-GFCCVEGCSA-N -1 1 296.371 1.449 20 0 CDADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1C[C@@H](F)C[NH2+]1 ZINC001574338669 1170950235 /nfs/dbraw/zinc/95/02/35/1170950235.db2.gz IHIIBCJUTRNUPR-MLUIRONXSA-N -1 1 276.670 1.823 20 0 CDADMM O=C([O-])[C@@H]1C2CCC(CC2)N1Cc1cnc(Cl)cn1 ZINC001574383875 1170965342 /nfs/dbraw/zinc/96/53/42/1170965342.db2.gz HGWMZZMXVHCDHT-VCJLRHCSSA-N -1 1 281.743 1.958 20 0 CDADMM COc1c(C)cc(C(=O)Nc2c[n-][nH]c2=O)cc1C ZINC001651044688 1171281369 /nfs/dbraw/zinc/28/13/69/1171281369.db2.gz VAVOGBSXZZPIHT-UHFFFAOYSA-N -1 1 261.281 1.993 20 0 CDADMM O=C(NCc1cn[nH]n1)c1ccc(Cl)c(O)c1 ZINC001578017458 1171785787 /nfs/dbraw/zinc/78/57/87/1171785787.db2.gz RRMBXAOCQKCOPI-UHFFFAOYSA-N -1 1 252.661 1.094 20 0 CDADMM Nc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000019966526 1172588887 /nfs/dbraw/zinc/58/88/87/1172588887.db2.gz AJZVTTLMLLBCRC-UHFFFAOYSA-N -1 1 292.316 1.798 20 0 CDADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCc2ccncc21 ZINC001582744762 1172691097 /nfs/dbraw/zinc/69/10/97/1172691097.db2.gz GTCGIAKRSOYKPY-UHFFFAOYSA-N -1 1 298.331 1.526 20 0 CDADMM CC(=CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1ccccc1 ZINC001588769789 1173104783 /nfs/dbraw/zinc/10/47/83/1173104783.db2.gz XXSWHSVNHCMBSK-CLFYSBASSA-N -1 1 295.306 1.632 20 0 CDADMM CC(C)(C)C1CN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001589104876 1173123869 /nfs/dbraw/zinc/12/38/69/1173123869.db2.gz IVPQPHRONKIUMD-UHFFFAOYSA-N -1 1 259.317 1.139 20 0 CDADMM CC(C)(C)C1CN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001589104876 1173123871 /nfs/dbraw/zinc/12/38/71/1173123871.db2.gz IVPQPHRONKIUMD-UHFFFAOYSA-N -1 1 259.317 1.139 20 0 CDADMM CC(C)(C)OCCCn1ccc(-c2nn[n-]n2)cc1=O ZINC001589197931 1173129447 /nfs/dbraw/zinc/12/94/47/1173129447.db2.gz WGQJENPMNQTTIT-UHFFFAOYSA-N -1 1 277.328 1.234 20 0 CDADMM CC(C)C[C@H](C)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589551101 1173157479 /nfs/dbraw/zinc/15/74/79/1173157479.db2.gz UUEXHUZRXZZDPX-QMMMGPOBSA-N -1 1 263.301 1.624 20 0 CDADMM CC(C)C[C@H](C)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589551101 1173157483 /nfs/dbraw/zinc/15/74/83/1173157483.db2.gz 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1173258640 /nfs/dbraw/zinc/25/86/40/1173258640.db2.gz MFPGOEBKCOWEGS-SECBINFHSA-N -1 1 293.352 1.083 20 0 CDADMM CC1(C)CO[C@@H](CCNc2cccc(-c3nnn[n-]3)n2)C1 ZINC001590110812 1173259136 /nfs/dbraw/zinc/25/91/36/1173259136.db2.gz IUESBHSDHSYJPP-JTQLQIEISA-N -1 1 288.355 1.879 20 0 CDADMM CC1(C)CO[C@@H](CCNc2cccc(-c3nn[n-]n3)n2)C1 ZINC001590110812 1173259146 /nfs/dbraw/zinc/25/91/46/1173259146.db2.gz IUESBHSDHSYJPP-JTQLQIEISA-N -1 1 288.355 1.879 20 0 CDADMM CC1(C)CO[C@@H](COC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590112351 1173261646 /nfs/dbraw/zinc/26/16/46/1173261646.db2.gz YENVNGCXWKBINP-SECBINFHSA-N -1 1 292.295 1.432 20 0 CDADMM CC1(C)CO[C@@H](COC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590112351 1173261657 /nfs/dbraw/zinc/26/16/57/1173261657.db2.gz YENVNGCXWKBINP-SECBINFHSA-N -1 1 292.295 1.432 20 0 CDADMM C[C@@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)[C@@H](C)O1 ZINC001590210745 1173296235 /nfs/dbraw/zinc/29/62/35/1173296235.db2.gz ZPLDTLDZCPWXCC-NQMVMOMDSA-N -1 1 260.301 1.240 20 0 CDADMM C[C@@H]1CCC[C@H](C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC001590239863 1173311828 /nfs/dbraw/zinc/31/18/28/1173311828.db2.gz OXVCDBGKGNEPML-BDAKNGLRSA-N -1 1 289.343 1.365 20 0 CDADMM C[C@@H]1CCC[C@H](C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC001590239863 1173311836 /nfs/dbraw/zinc/31/18/36/1173311836.db2.gz OXVCDBGKGNEPML-BDAKNGLRSA-N -1 1 289.343 1.365 20 0 CDADMM C[C@H]1COCC[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC001590325426 1173358665 /nfs/dbraw/zinc/35/86/65/1173358665.db2.gz SLJLDTOZBNGZPO-IUCAKERBSA-N -1 1 260.301 1.099 20 0 CDADMM C[C@H]1COCC[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC001590325426 1173358671 /nfs/dbraw/zinc/35/86/71/1173358671.db2.gz SLJLDTOZBNGZPO-IUCAKERBSA-N -1 1 260.301 1.099 20 0 CDADMM C[C@H]1N(C(=O)c2ccc(-c3nn[n-]n3)o2)CCOC1(C)C ZINC001590332291 1173361546 /nfs/dbraw/zinc/36/15/46/1173361546.db2.gz XAYJBINWIBVKBC-MRVPVSSYSA-N -1 1 291.311 1.099 20 0 CDADMM C[C@H]1N(C(=O)c2ccc(-c3nnn[n-]3)o2)CCOC1(C)C ZINC001590332291 1173361539 /nfs/dbraw/zinc/36/15/39/1173361539.db2.gz XAYJBINWIBVKBC-MRVPVSSYSA-N -1 1 291.311 1.099 20 0 CDADMM C/C=C\C[C@H](CO)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001590351464 1173368806 /nfs/dbraw/zinc/36/88/06/1173368806.db2.gz FTTIHGKHXGWTMS-YAJNLLPGSA-N -1 1 294.746 1.654 20 0 CDADMM C/C=C\C[C@H](CO)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001590351464 1173368807 /nfs/dbraw/zinc/36/88/07/1173368807.db2.gz FTTIHGKHXGWTMS-YAJNLLPGSA-N -1 1 294.746 1.654 20 0 CDADMM CC[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)[C@H]1C ZINC001590514990 1173443633 /nfs/dbraw/zinc/44/36/33/1173443633.db2.gz SKHDHBNAYSXYJP-VHSXEESVSA-N -1 1 258.329 1.887 20 0 CDADMM CC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)[C@H]1C ZINC001590514990 1173443640 /nfs/dbraw/zinc/44/36/40/1173443640.db2.gz SKHDHBNAYSXYJP-VHSXEESVSA-N -1 1 258.329 1.887 20 0 CDADMM CCCCC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590569226 1173465792 /nfs/dbraw/zinc/46/57/92/1173465792.db2.gz BVGSKGAIUIXLBK-UHFFFAOYSA-N -1 1 289.295 1.178 20 0 CDADMM CCCCC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590569226 1173465794 /nfs/dbraw/zinc/46/57/94/1173465794.db2.gz BVGSKGAIUIXLBK-UHFFFAOYSA-N -1 1 289.295 1.178 20 0 CDADMM CCC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001590571576 1173466629 /nfs/dbraw/zinc/46/66/29/1173466629.db2.gz FXOSPHWWEODHMB-SECBINFHSA-N -1 1 291.311 1.101 20 0 CDADMM CCC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001590571576 1173466631 /nfs/dbraw/zinc/46/66/31/1173466631.db2.gz FXOSPHWWEODHMB-SECBINFHSA-N -1 1 291.311 1.101 20 0 CDADMM CC[C@@H]1C[C@H]1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590860207 1173531990 /nfs/dbraw/zinc/53/19/90/1173531990.db2.gz KTSVQMTVDSLVMF-GMSGAONNSA-N -1 1 275.287 1.534 20 0 CDADMM CC[C@@H]1C[C@H]1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590860207 1173531993 /nfs/dbraw/zinc/53/19/93/1173531993.db2.gz KTSVQMTVDSLVMF-GMSGAONNSA-N -1 1 275.287 1.534 20 0 CDADMM CCc1cnc(COC(=O)c2coc(-c3nnn[n-]3)c2)o1 ZINC001590900489 1173538496 /nfs/dbraw/zinc/53/84/96/1173538496.db2.gz UTYVIZJANXRIDW-UHFFFAOYSA-N -1 1 289.251 1.367 20 0 CDADMM CCc1cnc(COC(=O)c2coc(-c3nn[n-]n3)c2)o1 ZINC001590900489 1173538498 /nfs/dbraw/zinc/53/84/98/1173538498.db2.gz UTYVIZJANXRIDW-UHFFFAOYSA-N -1 1 289.251 1.367 20 0 CDADMM CCc1cnccc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590901429 1173539522 /nfs/dbraw/zinc/53/95/22/1173539522.db2.gz BMYBBRQUSMIUOO-UHFFFAOYSA-N -1 1 284.279 1.091 20 0 CDADMM CCc1onc(C)c1COc1cnc(-c2nn[n-]n2)nc1 ZINC001590937925 1173546912 /nfs/dbraw/zinc/54/69/12/1173546912.db2.gz GVMMWJPGXAPURO-UHFFFAOYSA-N -1 1 287.283 1.095 20 0 CDADMM CCc1onc(C)c1COc1cccnc1-c1nnn[n-]1 ZINC001590938210 1173548290 /nfs/dbraw/zinc/54/82/90/1173548290.db2.gz VINRLILLMLPXPG-UHFFFAOYSA-N -1 1 286.295 1.700 20 0 CDADMM CCc1onc(C)c1COc1cccnc1-c1nn[n-]n1 ZINC001590938210 1173548295 /nfs/dbraw/zinc/54/82/95/1173548295.db2.gz VINRLILLMLPXPG-UHFFFAOYSA-N -1 1 286.295 1.700 20 0 CDADMM CCn1cc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)cn1 ZINC001590954476 1173550837 /nfs/dbraw/zinc/55/08/37/1173550837.db2.gz WYZMGMWCZVUCQJ-UHFFFAOYSA-N -1 1 299.342 1.296 20 0 CDADMM CCn1cc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)cn1 ZINC001590954476 1173550844 /nfs/dbraw/zinc/55/08/44/1173550844.db2.gz WYZMGMWCZVUCQJ-UHFFFAOYSA-N -1 1 299.342 1.296 20 0 CDADMM CCn1ncc(Nc2nc(C)cc(-c3nnn[n-]3)n2)c1C ZINC001590969581 1173554165 /nfs/dbraw/zinc/55/41/65/1173554165.db2.gz APZIVNHDWVXXLM-UHFFFAOYSA-N -1 1 285.315 1.234 20 0 CDADMM CCn1ncc(Nc2nc(C)cc(-c3nn[n-]n3)n2)c1C ZINC001590969581 1173554169 /nfs/dbraw/zinc/55/41/69/1173554169.db2.gz APZIVNHDWVXXLM-UHFFFAOYSA-N -1 1 285.315 1.234 20 0 CDADMM CN(C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(-c2nnn[n-]2)nc1 ZINC001590977289 1173554562 /nfs/dbraw/zinc/55/45/62/1173554562.db2.gz FVXFJNIWKAGNBR-JLLWLGSASA-N -1 1 298.350 1.661 20 0 CDADMM CN(C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(-c2nn[n-]n2)nc1 ZINC001590977289 1173554564 /nfs/dbraw/zinc/55/45/64/1173554564.db2.gz FVXFJNIWKAGNBR-JLLWLGSASA-N -1 1 298.350 1.661 20 0 CDADMM CN(C(=O)C1(F)CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590973998 1173555124 /nfs/dbraw/zinc/55/51/24/1173555124.db2.gz ZDRNIYSPXQNMBM-UHFFFAOYSA-N -1 1 290.302 1.507 20 0 CDADMM CN(C(=O)C1(F)CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590973998 1173555128 /nfs/dbraw/zinc/55/51/28/1173555128.db2.gz ZDRNIYSPXQNMBM-UHFFFAOYSA-N -1 1 290.302 1.507 20 0 CDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1)C1CC1 ZINC001590992271 1173557891 /nfs/dbraw/zinc/55/78/91/1173557891.db2.gz JJPPZIMYUJNYAP-UHFFFAOYSA-N -1 1 278.703 1.150 20 0 CDADMM CO[C@@]1(C)CCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591339562 1173618776 /nfs/dbraw/zinc/61/87/76/1173618776.db2.gz UCXSMFOVLJJERX-ZDUSSCGKSA-N -1 1 274.328 1.267 20 0 CDADMM CO[C@@]1(C)CCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001591339562 1173618781 /nfs/dbraw/zinc/61/87/81/1173618781.db2.gz UCXSMFOVLJJERX-ZDUSSCGKSA-N -1 1 274.328 1.267 20 0 CDADMM COCC(C)(C)N(C)C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591369391 1173633556 /nfs/dbraw/zinc/63/35/56/1173633556.db2.gz ODPLVJPGXSZHBB-UHFFFAOYSA-N -1 1 293.327 1.265 20 0 CDADMM COCC(C)(C)N(C)C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591369391 1173633562 /nfs/dbraw/zinc/63/35/62/1173633562.db2.gz ODPLVJPGXSZHBB-UHFFFAOYSA-N -1 1 293.327 1.265 20 0 CDADMM COC[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)C(C)C ZINC001591381061 1173639698 /nfs/dbraw/zinc/63/96/98/1173639698.db2.gz SWGQFUSUIPJMGB-LLVKDONJSA-N -1 1 291.311 1.090 20 0 CDADMM COC[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)C(C)C ZINC001591381061 1173639701 /nfs/dbraw/zinc/63/97/01/1173639701.db2.gz SWGQFUSUIPJMGB-LLVKDONJSA-N -1 1 291.311 1.090 20 0 CDADMM COc1ccccc1[C@@H](C)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591654335 1173677323 /nfs/dbraw/zinc/67/73/23/1173677323.db2.gz KNQZBYBIKDXFKO-SNVBAGLBSA-N -1 1 296.334 1.865 20 0 CDADMM COc1ccccc1[C@@H](C)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591654335 1173677327 /nfs/dbraw/zinc/67/73/27/1173677327.db2.gz KNQZBYBIKDXFKO-SNVBAGLBSA-N -1 1 296.334 1.865 20 0 CDADMM C[C@@H](O)CN(C)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001591731836 1173692018 /nfs/dbraw/zinc/69/20/18/1173692018.db2.gz WUVBBIYTPHZKLG-SECBINFHSA-N -1 1 284.323 1.232 20 0 CDADMM C[C@@H](O)CN(C)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001591731836 1173692022 /nfs/dbraw/zinc/69/20/22/1173692022.db2.gz WUVBBIYTPHZKLG-SECBINFHSA-N -1 1 284.323 1.232 20 0 CDADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CCC(F)(F)F)c1 ZINC001591837002 1173711284 /nfs/dbraw/zinc/71/12/84/1173711284.db2.gz SDKZEKMIBWGAFM-UHFFFAOYSA-N -1 1 273.218 1.289 20 0 CDADMM Cc1cc(-c2nn[nH]n2)cc(C)c1C(=O)Nc1c[n-][nH]c1=O ZINC001591839071 1173712340 /nfs/dbraw/zinc/71/23/40/1173712340.db2.gz ONCLLGIKARXTTK-UHFFFAOYSA-N -1 1 299.294 1.165 20 0 CDADMM Cc1cc(F)ccc1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001591991973 1173767780 /nfs/dbraw/zinc/76/77/80/1173767780.db2.gz HAWQHLWEZUXSMO-UHFFFAOYSA-N -1 1 299.313 1.741 20 0 CDADMM Cc1cc(F)ccc1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001591991973 1173767789 /nfs/dbraw/zinc/76/77/89/1173767789.db2.gz HAWQHLWEZUXSMO-UHFFFAOYSA-N -1 1 299.313 1.741 20 0 CDADMM Cc1cc(NC[C@@]2(C)CCCCO2)nc(-c2nnn[n-]2)c1 ZINC001592041468 1173782454 /nfs/dbraw/zinc/78/24/54/1173782454.db2.gz LZNBNMGBEMDCIZ-CQSZACIVSA-N -1 1 288.355 1.941 20 0 CDADMM Cc1cc(NC[C@@]2(C)CCCCO2)nc(-c2nn[n-]n2)c1 ZINC001592041468 1173782458 /nfs/dbraw/zinc/78/24/58/1173782458.db2.gz LZNBNMGBEMDCIZ-CQSZACIVSA-N -1 1 288.355 1.941 20 0 CDADMM Cc1ccc(N[C@H](CO)CC2CCC2)nc1-c1nnn[n-]1 ZINC001592184952 1173829380 /nfs/dbraw/zinc/82/93/80/1173829380.db2.gz YZWJOUFINIBJEB-NSHDSACASA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(N[C@H](CO)CC2CCC2)nc1-c1nn[n-]n1 ZINC001592184952 1173829386 /nfs/dbraw/zinc/82/93/86/1173829386.db2.gz YZWJOUFINIBJEB-NSHDSACASA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(NCCOCC(F)F)c(-c2nnn[n-]2)n1 ZINC001592185723 1173831673 /nfs/dbraw/zinc/83/16/73/1173831673.db2.gz KWKUDWDEKPDBRW-UHFFFAOYSA-N -1 1 284.270 1.264 20 0 CDADMM Cc1ccc(NCCOCC(F)F)c(-c2nn[n-]n2)n1 ZINC001592185723 1173831688 /nfs/dbraw/zinc/83/16/88/1173831688.db2.gz KWKUDWDEKPDBRW-UHFFFAOYSA-N -1 1 284.270 1.264 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@@]2(C)CC=CCC2)c1-c1nn[n-]n1 ZINC001592328037 1173854415 /nfs/dbraw/zinc/85/44/15/1173854415.db2.gz PDCNLXYMXQVPLU-ZDUSSCGKSA-N -1 1 287.327 1.583 20 0 CDADMM Cc1nc(N[C@H](C)[C@@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001592378139 1173873920 /nfs/dbraw/zinc/87/39/20/1173873920.db2.gz DGLJGEKOKWAPDM-PSASIEDQSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1nc(N[C@H](C)[C@@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001592378139 1173873925 /nfs/dbraw/zinc/87/39/25/1173873925.db2.gz DGLJGEKOKWAPDM-PSASIEDQSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1ncnc(NCc2ccnc(-c3nnn[n-]3)c2)c1C ZINC001592420501 1173883857 /nfs/dbraw/zinc/88/38/57/1173883857.db2.gz IDTGQRNRIDBITO-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1ncnc(NCc2ccnc(-c3nn[n-]n3)c2)c1C ZINC001592420501 1173883861 /nfs/dbraw/zinc/88/38/61/1173883861.db2.gz IDTGQRNRIDBITO-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1nsc(NCc2cccnc2C)c1-c1nn[n-]n1 ZINC001592416938 1173884483 /nfs/dbraw/zinc/88/44/83/1173884483.db2.gz GVLPQUXAEXMRQG-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1ncoc1CNc1snc(C)c1-c1nn[n-]n1 ZINC001592422925 1173887094 /nfs/dbraw/zinc/88/70/94/1173887094.db2.gz BYYGXBCXGUKUQO-UHFFFAOYSA-N -1 1 277.313 1.540 20 0 CDADMM Clc1cc(CNc2ccnc(-c3nnn[n-]3)c2)ccn1 ZINC001592526179 1173912635 /nfs/dbraw/zinc/91/26/35/1173912635.db2.gz PVFRFLRYUPALLE-UHFFFAOYSA-N -1 1 287.714 1.344 20 0 CDADMM Clc1cc(CNc2ccnc(-c3nn[n-]n3)c2)ccn1 ZINC001592526179 1173912641 /nfs/dbraw/zinc/91/26/41/1173912641.db2.gz PVFRFLRYUPALLE-UHFFFAOYSA-N -1 1 287.714 1.344 20 0 CDADMM O=C(/C=C/C1CC1)OCc1cccnc1-c1nnn[n-]1 ZINC001592790467 1173990206 /nfs/dbraw/zinc/99/02/06/1173990206.db2.gz OIIDIVCNAGMAEZ-AATRIKPKSA-N -1 1 271.280 1.271 20 0 CDADMM O=C(C=Cc1ccco1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592805268 1173992327 /nfs/dbraw/zinc/99/23/27/1173992327.db2.gz ZGWJBOHXDIQJMU-ARJAWSKDSA-N -1 1 296.290 1.184 20 0 CDADMM O=C(C=Cc1ccco1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592805268 1173992331 /nfs/dbraw/zinc/99/23/31/1173992331.db2.gz ZGWJBOHXDIQJMU-ARJAWSKDSA-N -1 1 296.290 1.184 20 0 CDADMM O=C(NC[C@H]1CCC=CO1)c1csc(-c2nn[n-]n2)c1 ZINC001593034114 1174015664 /nfs/dbraw/zinc/01/56/64/1174015664.db2.gz NLZBAQIPMJFPMG-SECBINFHSA-N -1 1 291.336 1.351 20 0 CDADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@H]1CC=CCC1 ZINC001593196457 1174031335 /nfs/dbraw/zinc/03/13/35/1174031335.db2.gz OWDWPNZQYZMNED-VIFPVBQESA-N -1 1 299.338 1.762 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H]1CCCC2(CC2)C1 ZINC001593197903 1174031514 /nfs/dbraw/zinc/03/15/14/1174031514.db2.gz RHTLCPLVWURWQQ-QMMMGPOBSA-N -1 1 287.327 1.499 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H]1CCCC2(CC2)C1 ZINC001593197903 1174031520 /nfs/dbraw/zinc/03/15/20/1174031520.db2.gz RHTLCPLVWURWQQ-QMMMGPOBSA-N -1 1 287.327 1.499 20 0 CDADMM O=C(Nc1cc(F)ccc1O)c1coc(-c2nnn[n-]2)c1 ZINC001593209197 1174035027 /nfs/dbraw/zinc/03/50/27/1174035027.db2.gz CWSAQRDTEDHYEO-UHFFFAOYSA-N -1 1 289.226 1.557 20 0 CDADMM O=C(Nc1cc(F)ccc1O)c1coc(-c2nn[n-]n2)c1 ZINC001593209197 1174035030 /nfs/dbraw/zinc/03/50/30/1174035030.db2.gz CWSAQRDTEDHYEO-UHFFFAOYSA-N -1 1 289.226 1.557 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC(Cc2ccoc2)C1 ZINC001593367548 1174071228 /nfs/dbraw/zinc/07/12/28/1174071228.db2.gz LYGXRCNXAIWQQY-UHFFFAOYSA-N -1 1 299.290 1.367 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC(Cc2ccoc2)C1 ZINC001593367548 1174071234 /nfs/dbraw/zinc/07/12/34/1174071234.db2.gz LYGXRCNXAIWQQY-UHFFFAOYSA-N -1 1 299.290 1.367 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1C[C@@H]1CC2CCC1CC2 ZINC001593496745 1174091562 /nfs/dbraw/zinc/09/15/62/1174091562.db2.gz VSPGISLJALKQJJ-XIVSLSHWSA-N -1 1 285.351 1.855 20 0 CDADMM c1c(-c2nn[n-]n2)nnn1CCC1CCCCCC1 ZINC001593543474 1174112124 /nfs/dbraw/zinc/11/21/24/1174112124.db2.gz QKWDZRWYYIEUCP-UHFFFAOYSA-N -1 1 261.333 1.819 20 0 CDADMM c1c(-c2nnn[n-]2)nc(C2CC2)nc1N1CCCCO1 ZINC001593543197 1174112900 /nfs/dbraw/zinc/11/29/00/1174112900.db2.gz FQUXNPALGAOOQP-UHFFFAOYSA-N -1 1 273.300 1.066 20 0 CDADMM c1c(-c2nn[n-]n2)nc(C2CC2)nc1N1CCCCO1 ZINC001593543197 1174112904 /nfs/dbraw/zinc/11/29/04/1174112904.db2.gz FQUXNPALGAOOQP-UHFFFAOYSA-N -1 1 273.300 1.066 20 0 CDADMM c1ccc(C[C@H]2C[C@H]2Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001593571583 1174142522 /nfs/dbraw/zinc/14/25/22/1174142522.db2.gz AUSJSELEIHABNR-NWDGAFQWSA-N -1 1 293.334 1.700 20 0 CDADMM c1ccc(C[C@H]2C[C@H]2Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001593571583 1174142527 /nfs/dbraw/zinc/14/25/27/1174142527.db2.gz AUSJSELEIHABNR-NWDGAFQWSA-N -1 1 293.334 1.700 20 0 CDADMM c1cn(CCOCc2ccccc2)c(-c2nnn[n-]2)n1 ZINC001593574574 1174144233 /nfs/dbraw/zinc/14/42/33/1174144233.db2.gz WVSUBWWUFLLEJO-UHFFFAOYSA-N -1 1 270.296 1.280 20 0 CDADMM c1cn(CCOCc2ccccc2)c(-c2nn[n-]n2)n1 ZINC001593574574 1174144239 /nfs/dbraw/zinc/14/42/39/1174144239.db2.gz WVSUBWWUFLLEJO-UHFFFAOYSA-N -1 1 270.296 1.280 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@H](C2CC2)C2CCC2)n1 ZINC001593583278 1174149736 /nfs/dbraw/zinc/14/97/36/1174149736.db2.gz UYCQHKMHOYKDJQ-JTQLQIEISA-N -1 1 271.328 1.647 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@H](C2CC2)C2CCC2)n1 ZINC001593583278 1174149747 /nfs/dbraw/zinc/14/97/47/1174149747.db2.gz UYCQHKMHOYKDJQ-JTQLQIEISA-N -1 1 271.328 1.647 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N2CC[C@@H](C3CC3)C2)c1 ZINC001593583019 1174149982 /nfs/dbraw/zinc/14/99/82/1174149982.db2.gz KJJKNMQLUPFAGJ-SNVBAGLBSA-N -1 1 256.313 1.498 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N2CC[C@@H](C3CC3)C2)c1 ZINC001593583019 1174149987 /nfs/dbraw/zinc/14/99/87/1174149987.db2.gz KJJKNMQLUPFAGJ-SNVBAGLBSA-N -1 1 256.313 1.498 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OCc2noc3c2CCCC3)c1 ZINC001593585316 1174153179 /nfs/dbraw/zinc/15/31/79/1174153179.db2.gz RBQLYQZUCFZCBL-UHFFFAOYSA-N -1 1 298.306 1.708 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OCc2noc3c2CCCC3)c1 ZINC001593585316 1174153182 /nfs/dbraw/zinc/15/31/82/1174153182.db2.gz RBQLYQZUCFZCBL-UHFFFAOYSA-N -1 1 298.306 1.708 20 0 CDADMM c1[nH]nc(NCc2ccc3ncccc3c2)c1-c1nnn[n-]1 ZINC001593587138 1174153834 /nfs/dbraw/zinc/15/38/34/1174153834.db2.gz JHAZVBWOKPVJJU-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1[nH]nc(NCc2ccc3ncccc3c2)c1-c1nn[n-]n1 ZINC001593587138 1174153845 /nfs/dbraw/zinc/15/38/45/1174153845.db2.gz JHAZVBWOKPVJJU-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CSc1cccnn1 ZINC001593589756 1174156758 /nfs/dbraw/zinc/15/67/58/1174156758.db2.gz OXYLWZACYQWBDI-UHFFFAOYSA-N -1 1 260.282 1.542 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1CSc1cccnn1 ZINC001593589756 1174156764 /nfs/dbraw/zinc/15/67/64/1174156764.db2.gz OXYLWZACYQWBDI-UHFFFAOYSA-N -1 1 260.282 1.542 20 0 CDADMM c1c[nH]c([C@H]2CCCCN2c2cc(-c3nnn[n-]3)ncn2)n1 ZINC001593590425 1174157568 /nfs/dbraw/zinc/15/75/68/1174157568.db2.gz ROPFXDBSZGFSTL-SNVBAGLBSA-N -1 1 297.326 1.111 20 0 CDADMM c1c[nH]c([C@H]2CCCCN2c2cc(-c3nn[n-]n3)ncn2)n1 ZINC001593590425 1174157571 /nfs/dbraw/zinc/15/75/71/1174157571.db2.gz ROPFXDBSZGFSTL-SNVBAGLBSA-N -1 1 297.326 1.111 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC001593594849 1174165344 /nfs/dbraw/zinc/16/53/44/1174165344.db2.gz IPCVAUUXMQGKSQ-HRDYMLBCSA-N -1 1 257.301 1.257 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC001593594849 1174165350 /nfs/dbraw/zinc/16/53/50/1174165350.db2.gz IPCVAUUXMQGKSQ-HRDYMLBCSA-N -1 1 257.301 1.257 20 0 CDADMM Cc1cc(CN2CC[C@@H](n3cncn3)C2)oc1C(=O)[O-] ZINC001600192928 1174398646 /nfs/dbraw/zinc/39/86/46/1174398646.db2.gz JDIAHJTVSSVYSF-SNVBAGLBSA-N -1 1 276.296 1.325 20 0 CDADMM Cc1cc(CN2CCN3C(=O)CC[C@H]3C2)ccc1C(=O)[O-] ZINC001600194727 1174400398 /nfs/dbraw/zinc/40/03/98/1174400398.db2.gz OXMUQDXXHFJXOR-ZDUSSCGKSA-N -1 1 288.347 1.500 20 0 CDADMM Cc1nc([C@H](C)NCc2ccc(C(=O)[O-])c(F)c2)n[nH]1 ZINC001600792714 1174612164 /nfs/dbraw/zinc/61/21/64/1174612164.db2.gz SKCLWSPOYSYGPY-ZETCQYMHSA-N -1 1 278.287 1.801 20 0 CDADMM Cc1noc([C@H]2CCCN(Cc3cc(C(=O)[O-])no3)C2)n1 ZINC001600813934 1174624630 /nfs/dbraw/zinc/62/46/30/1174624630.db2.gz WAYSFUCKRJCSNK-VIFPVBQESA-N -1 1 292.295 1.444 20 0 CDADMM Cn1cnnc1CN1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001600995843 1174696526 /nfs/dbraw/zinc/69/65/26/1174696526.db2.gz 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C[C@@H]1CC[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001603880438 1175667948 /nfs/dbraw/zinc/66/79/48/1175667948.db2.gz GEGPSXYZTPHIDW-RKDXNWHRSA-N -1 1 272.312 1.180 20 0 CDADMM CC(C)N1CCC[C@H]1C(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC001603893728 1175674268 /nfs/dbraw/zinc/67/42/68/1175674268.db2.gz QQPYXLVWQZLXFK-NWDGAFQWSA-N -1 1 296.392 1.863 20 0 CDADMM C[C@H]1CCCN(C(=O)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001603897616 1175676535 /nfs/dbraw/zinc/67/65/35/1175676535.db2.gz DRJZOWWAMKIRGM-JTQLQIEISA-N -1 1 286.339 1.524 20 0 CDADMM C[C@H]1CCCN(C(=O)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001603897616 1175676537 /nfs/dbraw/zinc/67/65/37/1175676537.db2.gz DRJZOWWAMKIRGM-JTQLQIEISA-N -1 1 286.339 1.524 20 0 CDADMM C[C@@H]1[C@@H](C)[C@H](C)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001603939320 1175692160 /nfs/dbraw/zinc/69/21/60/1175692160.db2.gz LLRBFRPCRFXNDB-HRDYMLBCSA-N -1 1 259.317 1.137 20 0 CDADMM C[C@@H]1[C@@H](C)[C@H](C)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001603939320 1175692162 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278.264 1.372 20 0 CDADMM COC(=O)c1n[n-]c(OC[C@@H](C)Oc2ccccc2)n1 ZINC001228310728 942295024 /nfs/dbraw/zinc/29/50/24/942295024.db2.gz HHMNTALFQGWXPU-SECBINFHSA-N -1 1 277.280 1.438 20 0 CDADMM COC(=O)c1nc(OC[C@@H](C)Oc2ccccc2)n[n-]1 ZINC001228310728 942295027 /nfs/dbraw/zinc/29/50/27/942295027.db2.gz HHMNTALFQGWXPU-SECBINFHSA-N -1 1 277.280 1.438 20 0 CDADMM COC(=O)c1n[n-]c(O[C@@H]2CCc3cccc(C)c32)n1 ZINC001228308960 942295099 /nfs/dbraw/zinc/29/50/99/942295099.db2.gz QAOUOIPGAGBJPQ-SNVBAGLBSA-N -1 1 273.292 1.966 20 0 CDADMM COC(=O)c1nc(O[C@@H]2CCc3cccc(C)c32)n[n-]1 ZINC001228308960 942295102 /nfs/dbraw/zinc/29/51/02/942295102.db2.gz QAOUOIPGAGBJPQ-SNVBAGLBSA-N -1 1 273.292 1.966 20 0 CDADMM CCOC(=O)[C@@H]1CCC[C@@H]1Oc1cnnc(=S)[n-]1 ZINC001228636232 942345702 /nfs/dbraw/zinc/34/57/02/942345702.db2.gz IVCQBARAVDGSOI-SFYZADRCSA-N -1 1 269.326 1.271 20 0 CDADMM CC(C)(C)C(=O)OC1CC(Oc2cnnc(=S)[n-]2)C1 ZINC001228641712 942346225 /nfs/dbraw/zinc/34/62/25/942346225.db2.gz HUUUIXBCSQYRSC-UHFFFAOYSA-N -1 1 283.353 1.659 20 0 CDADMM CCOC(=O)[C@H]1CCC[C@@H]1Oc1cnnc(=S)[n-]1 ZINC001228641797 942346242 /nfs/dbraw/zinc/34/62/42/942346242.db2.gz IVCQBARAVDGSOI-YUMQZZPRSA-N -1 1 269.326 1.271 20 0 CDADMM Cc1nc(Cl)sc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1O ZINC000323822447 942421763 /nfs/dbraw/zinc/42/17/63/942421763.db2.gz KMFFRMOKNGMXAF-RNFRBKRXSA-N -1 1 296.801 1.297 20 0 CDADMM CCC(=O)[C@@H](CC)Oc1nc(C)[n-]c(=O)c1OC ZINC001230021267 942571253 /nfs/dbraw/zinc/57/12/53/942571253.db2.gz LUPNCWFVCLFTQF-SECBINFHSA-N -1 1 254.286 1.636 20 0 CDADMM COC(=O)c1c[n-]c(O[C@H]2CCCC[C@@H]2OC)n1 ZINC001230282644 942601665 /nfs/dbraw/zinc/60/16/65/942601665.db2.gz XIBGJVRKHPWTLL-UWVGGRQHSA-N -1 1 254.286 1.533 20 0 CDADMM CC(=O)OC1CN(Cc2ccc(Cl)c([O-])c2)C1 ZINC001231733747 942991815 /nfs/dbraw/zinc/99/18/15/942991815.db2.gz FVIZMJOMVHYAIU-UHFFFAOYSA-N -1 1 255.701 1.793 20 0 CDADMM COc1ccc(C[N@H+]2C[C@@H](O)CC[C@H]2C)cc1C(=O)[O-] ZINC001231750286 943002089 /nfs/dbraw/zinc/00/20/89/943002089.db2.gz ZCTNCVZTXLKARD-PWSUYJOCSA-N -1 1 279.336 1.739 20 0 CDADMM COc1ccc(CN2CC[C@@]23CCOC3)cc1C(=O)[O-] ZINC001231755845 943004766 /nfs/dbraw/zinc/00/47/66/943004766.db2.gz AWXDMZVVDUYNQN-HNNXBMFYSA-N -1 1 277.320 1.758 20 0 CDADMM C[C@@]1(CO)CN(Cc2cc([O-])c(F)c(F)c2)CC[C@H]1O ZINC001232970974 943450019 /nfs/dbraw/zinc/45/00/19/943450019.db2.gz PDDPPLGTMQYFMT-OCCSQVGLSA-N -1 1 287.306 1.236 20 0 CDADMM CN(C)C(=O)N1CCN(Cc2cc(Cl)ncc2[O-])CC1 ZINC001233032504 943467697 /nfs/dbraw/zinc/46/76/97/943467697.db2.gz HGIPOKIFIBNYDS-UHFFFAOYSA-N -1 1 298.774 1.240 20 0 CDADMM [O-]c1cnc(Cl)cc1CN1CCN([C@@H]2CCOC2)CC1 ZINC001233033058 943468842 /nfs/dbraw/zinc/46/88/42/943468842.db2.gz YSPILFZJYZYZRR-GFCCVEGCSA-N -1 1 297.786 1.347 20 0 CDADMM COC(=O)c1nc[n-]c(=O)c1OC[C@H]1CCC=CO1 ZINC001233756181 943649706 /nfs/dbraw/zinc/64/97/06/943649706.db2.gz HYELZUNWDBYDLM-MRVPVSSYSA-N -1 1 266.253 1.040 20 0 CDADMM COC(=O)c1nc[n-]c(=O)c1O[C@H]1CCc2cccnc21 ZINC001233759892 943650785 /nfs/dbraw/zinc/65/07/85/943650785.db2.gz RSBXYFXRSMGCDO-VIFPVBQESA-N -1 1 287.275 1.430 20 0 CDADMM CCC[C@@H]1CCCN1C(=O)CCCc1nn[n-]n1 ZINC001262646670 943655514 /nfs/dbraw/zinc/65/55/14/943655514.db2.gz JECUWNGREDBBSX-SNVBAGLBSA-N -1 1 251.334 1.314 20 0 CDADMM CO[C@@H](COc1c(C(N)=O)nc[n-]c1=O)c1ccccc1 ZINC001234465595 943849263 /nfs/dbraw/zinc/84/92/63/943849263.db2.gz GAZPVOLSIBTYET-JTQLQIEISA-N -1 1 289.291 1.048 20 0 CDADMM Cc1ccc([C@H](C)Oc2c(C(N)=O)nc(C)[n-]c2=O)cn1 ZINC001234469766 943854094 /nfs/dbraw/zinc/85/40/94/943854094.db2.gz KFISYWASNGKVCJ-QMMMGPOBSA-N -1 1 288.307 1.433 20 0 CDADMM NC(=O)c1nc[n-]c(=O)c1O[C@@H]1CCC(=O)c2ccccc21 ZINC001234469428 943854171 /nfs/dbraw/zinc/85/41/71/943854171.db2.gz WQTNTLPNYXBZDA-LLVKDONJSA-N -1 1 299.286 1.378 20 0 CDADMM Cc1nc(C(N)=O)c(O[C@@H]2CCCC[C@H]2C)c(=O)[n-]1 ZINC001234470553 943854505 /nfs/dbraw/zinc/85/45/05/943854505.db2.gz UTMMHRHMMRFRSC-VXNVDRBHSA-N -1 1 265.313 1.547 20 0 CDADMM Cc1nnsc1CN1CCC(C)(C(=O)[O-])CC1 ZINC000383427978 943960770 /nfs/dbraw/zinc/96/07/70/943960770.db2.gz BKJTWOAPRDYDNM-UHFFFAOYSA-N -1 1 255.343 1.533 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCC(=O)C(C)(C)C ZINC001263771969 943968683 /nfs/dbraw/zinc/96/86/83/943968683.db2.gz XZUARYHMQJUCMW-UHFFFAOYSA-N -1 1 283.353 1.124 20 0 CDADMM CNC(=O)N1CCN(Cc2cc(F)c([O-])c(F)c2)CC1 ZINC000722187767 944017779 /nfs/dbraw/zinc/01/77/79/944017779.db2.gz FAOUHOBTTVBBNZ-UHFFFAOYSA-N -1 1 285.294 1.127 20 0 CDADMM O=C([O-])[C@@]1(NCc2cccc(F)c2Cl)CCOC1 ZINC001601721267 971045545 /nfs/dbraw/zinc/04/55/45/971045545.db2.gz CNWKBRMDNFBCGA-GFCCVEGCSA-N -1 1 273.691 1.812 20 0 CDADMM Cc1nocc1C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001259070322 945479449 /nfs/dbraw/zinc/47/94/49/945479449.db2.gz ZMJGQNHIXQAOLM-UHFFFAOYSA-N -1 1 288.275 1.740 20 0 CDADMM COc1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC001239617045 945522776 /nfs/dbraw/zinc/52/27/76/945522776.db2.gz UCHLFJDZKHRIEX-UHFFFAOYSA-N -1 1 283.291 1.946 20 0 CDADMM COc1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC001239617045 945522780 /nfs/dbraw/zinc/52/27/80/945522780.db2.gz UCHLFJDZKHRIEX-UHFFFAOYSA-N -1 1 283.291 1.946 20 0 CDADMM Cc1coc(C[N-]S(=O)(=O)c2cc(F)cc(F)c2)n1 ZINC001259305904 945557118 /nfs/dbraw/zinc/55/71/18/945557118.db2.gz JZPYLYAQODUMFN-UHFFFAOYSA-N -1 1 288.275 1.740 20 0 CDADMM O=S(=O)([N-]C[C@@H]1CCO1)c1cc(Cl)ccc1F ZINC001259459755 945574220 /nfs/dbraw/zinc/57/42/20/945574220.db2.gz DXPDYSSZKPNCRK-QMMMGPOBSA-N -1 1 279.720 1.546 20 0 CDADMM O=S(=O)([N-][C@@H]1C[C@H]1F)c1cccc(Cl)c1F ZINC001259471578 945577332 /nfs/dbraw/zinc/57/73/32/945577332.db2.gz GRUAAHSNJHWYRF-RNFRBKRXSA-N -1 1 267.684 1.868 20 0 CDADMM O=S(=O)([N-][C@H]1C[C@@H](F)C1)c1cc(F)c(F)c(F)c1 ZINC001259503055 945585979 /nfs/dbraw/zinc/58/59/79/945585979.db2.gz DDDNSNVQIMRRNF-OLQVQODUSA-N -1 1 283.246 1.883 20 0 CDADMM COC(=O)c1cccc([N-]S(=O)(=O)C2CCCC2)n1 ZINC001259794037 945634143 /nfs/dbraw/zinc/63/41/43/945634143.db2.gz QZAZKASNBXSOHV-UHFFFAOYSA-N -1 1 284.337 1.553 20 0 CDADMM O=S(=O)([N-]c1cnn(C(F)F)c1)C1CCOCC1 ZINC001259908898 945695814 /nfs/dbraw/zinc/69/58/14/945695814.db2.gz KXKZCNNYUZXPJG-UHFFFAOYSA-N -1 1 281.284 1.199 20 0 CDADMM COc1cccc(OCC[N-]S(=O)(=O)C(F)F)c1 ZINC001259960186 945748982 /nfs/dbraw/zinc/74/89/82/945748982.db2.gz LIYSFUUJQPQRHP-UHFFFAOYSA-N -1 1 281.280 1.216 20 0 CDADMM O=S(=O)([N-]Cc1ccc2ocnc2c1)C(F)F ZINC001259962215 945755021 /nfs/dbraw/zinc/75/50/21/945755021.db2.gz FPAGHACCVWIAMR-UHFFFAOYSA-N -1 1 262.237 1.470 20 0 CDADMM CC[C@H]([N-]S(=O)(=O)C(F)F)c1cccnc1 ZINC001259963317 945756536 /nfs/dbraw/zinc/75/65/36/945756536.db2.gz SOJAHVLGBDBTBQ-QMMMGPOBSA-N -1 1 250.270 1.675 20 0 CDADMM O=S(=O)([N-]Cc1cn(CC(F)(F)F)cn1)C(F)F ZINC001259964108 945756947 /nfs/dbraw/zinc/75/69/47/945756947.db2.gz BUOQQHKYNAUQSL-UHFFFAOYSA-N -1 1 293.217 1.087 20 0 CDADMM O=S(=O)([N-][C@@H]1CCCc2cccnc21)C(F)F ZINC001259963090 945757817 /nfs/dbraw/zinc/75/78/17/945757817.db2.gz QCYCWYJRHCSICJ-MRVPVSSYSA-N -1 1 262.281 1.601 20 0 CDADMM Cc1cc2c(c(-c3ccc4ncn(C)c4c3)n1)C(=O)[N-]C2=O ZINC001240318072 945772700 /nfs/dbraw/zinc/77/27/00/945772700.db2.gz GDOJAALVZQRPRK-UHFFFAOYSA-N -1 1 292.298 1.827 20 0 CDADMM O=S(=O)([N-]C1COC1)c1cc(Cl)c(F)cc1F ZINC001260196105 945807769 /nfs/dbraw/zinc/80/77/69/945807769.db2.gz SYACQBRDGNSXKO-UHFFFAOYSA-N -1 1 283.683 1.295 20 0 CDADMM O=C1Cc2cc(-c3cnc4ccnn4c3)ccc2C(=O)[N-]1 ZINC001240443627 945848716 /nfs/dbraw/zinc/84/87/16/945848716.db2.gz VRBKKZWJJNNLQO-UHFFFAOYSA-N -1 1 278.271 1.209 20 0 CDADMM CN(C)S(=O)(=O)c1ccc(-c2cc(F)ccc2[O-])nc1 ZINC001240695614 945995427 /nfs/dbraw/zinc/99/54/27/945995427.db2.gz OJASBYHTFPNEHW-UHFFFAOYSA-N -1 1 296.323 1.844 20 0 CDADMM Cc1nocc1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC001362377678 971207893 /nfs/dbraw/zinc/20/78/93/971207893.db2.gz WQHBHOYIRHQOCK-QMMMGPOBSA-N -1 1 278.268 1.091 20 0 CDADMM O=C1Cc2cc(-c3ccccc3O)ccc2C(=O)[N-]1 ZINC001241023685 946145070 /nfs/dbraw/zinc/14/50/70/946145070.db2.gz YBQKBFXIJIHVLX-UHFFFAOYSA-N -1 1 253.257 1.872 20 0 CDADMM Cc1nc(-c2c(F)ccc([O-])c2F)nc(N(C)C)n1 ZINC001241289071 946208701 /nfs/dbraw/zinc/20/87/01/946208701.db2.gz JSFRQDINIPCTEW-UHFFFAOYSA-N -1 1 266.251 1.897 20 0 CDADMM COc1ncc(C)cc1-c1ccc2c(c1)CC(=O)[N-]C2=O ZINC001241366935 946238649 /nfs/dbraw/zinc/23/86/49/946238649.db2.gz BEULRPHRTNHEEG-UHFFFAOYSA-N -1 1 282.299 1.878 20 0 CDADMM Cc1cc2c(c(-c3cccc4c[nH]nc43)n1)C(=O)[N-]C2=O ZINC001241622570 946399300 /nfs/dbraw/zinc/39/93/00/946399300.db2.gz RNZUABXNOPQPTO-UHFFFAOYSA-N -1 1 278.271 1.817 20 0 CDADMM CCC(CC)n1ccc(COCc2nn[n-]n2)n1 ZINC001262159643 946478357 /nfs/dbraw/zinc/47/83/57/946478357.db2.gz DYBVPLSXOCQDBV-UHFFFAOYSA-N -1 1 250.306 1.474 20 0 CDADMM Cc1cc(-c2ccc(-c3nn[n-]n3)nc2)cc(C)n1 ZINC001241992135 946551137 /nfs/dbraw/zinc/55/11/37/946551137.db2.gz CRDRPGKUUGKBGI-UHFFFAOYSA-N -1 1 252.281 1.941 20 0 CDADMM Cc1nc2cccc(-c3cnn(CC(=O)[O-])c3)c2[nH]1 ZINC001242185323 946628298 /nfs/dbraw/zinc/62/82/98/946628298.db2.gz ZSALTRSSIUOBLO-UHFFFAOYSA-N -1 1 256.265 1.819 20 0 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ZINC001548499633 967517494 /nfs/dbraw/zinc/51/74/94/967517494.db2.gz MZYVYORTOCPBNS-JQWIXIFHSA-N -1 1 299.334 1.082 20 0 CDADMM C[C@H](Oc1ccc(C[N@@H+](C)CCC(=O)[O-])cc1)C(=O)[O-] ZINC000077253128 967561315 /nfs/dbraw/zinc/56/13/15/967561315.db2.gz MNYALIAGVPKWCG-JTQLQIEISA-N -1 1 281.308 1.445 20 0 CDADMM CC[C@@H](C)C(=O)N(C)[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001449905407 967593633 /nfs/dbraw/zinc/59/36/33/967593633.db2.gz OPIADXQTFFBMNH-MNOVXSKESA-N -1 1 293.367 1.410 20 0 CDADMM Cc1cccc(C)c1CC(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001548763858 967839584 /nfs/dbraw/zinc/83/95/84/967839584.db2.gz LEPZKVKNMBNFDV-LBPRGKRZSA-N -1 1 285.351 1.375 20 0 CDADMM CC1(C)CC(CC(=O)N2CC[C@H](c3nn[n-]n3)C2)C1 ZINC001548764338 967842994 /nfs/dbraw/zinc/84/29/94/967842994.db2.gz HDMYTCRGDMJFRO-JTQLQIEISA-N -1 1 263.345 1.342 20 0 CDADMM O=C(c1ccccc1OC1CC1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001548765560 967847565 /nfs/dbraw/zinc/84/75/65/967847565.db2.gz PPDUVZUOILIQHS-JTQLQIEISA-N -1 1 299.334 1.371 20 0 CDADMM CC[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001548769150 967857671 /nfs/dbraw/zinc/85/76/71/967857671.db2.gz WDUJJHUDMBOILN-KBPBESRZSA-N -1 1 299.378 1.785 20 0 CDADMM CCCC(=O)NC[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001451408687 967944808 /nfs/dbraw/zinc/94/48/08/967944808.db2.gz SBROVOKPYPUBTF-LLVKDONJSA-N -1 1 291.351 1.308 20 0 CDADMM COc1ccc(C(=O)Nc2ccc3c(c2)nnn3C)c([O-])c1 ZINC001452187500 968076732 /nfs/dbraw/zinc/07/67/32/968076732.db2.gz GZFXYLCNNIZZBX-UHFFFAOYSA-N -1 1 298.302 1.935 20 0 CDADMM C[C@H]1CN(C(=O)c2c(O)cccc2F)CC[C@@H]1C(=O)[O-] ZINC000380011287 968077095 /nfs/dbraw/zinc/07/70/95/968077095.db2.gz RLWBQEJZEMSCCA-IUCAKERBSA-N -1 1 281.283 1.714 20 0 CDADMM C[C@H](C(=O)[O-])N(Cc1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000383196107 968109328 /nfs/dbraw/zinc/10/93/28/968109328.db2.gz VMTNXABEYDAJLD-SNVBAGLBSA-N -1 1 297.376 1.528 20 0 CDADMM O=C([O-])[C@]12COC[C@@H]1CN(Cc1c(F)ccc(O)c1F)C2 ZINC001549336921 968141481 /nfs/dbraw/zinc/14/14/81/968141481.db2.gz ALUIFTJKIFYZHC-RMLUDKJBSA-N -1 1 299.273 1.203 20 0 CDADMM CC[C@@H](C)C(=O)NC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001452780804 968179204 /nfs/dbraw/zinc/17/92/04/968179204.db2.gz GOGAOGKDCUCETG-ZJUUUORDSA-N -1 1 279.340 1.068 20 0 CDADMM COc1cccc(C[N@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)n1 ZINC000397118566 968248262 /nfs/dbraw/zinc/24/82/62/968248262.db2.gz YVHFQJZWIKYEQM-GHMZBOCLSA-N -1 1 264.325 1.775 20 0 CDADMM CC[C@H]1C[N@@H+](CC)CCN1C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001526746149 968599906 /nfs/dbraw/zinc/59/99/06/968599906.db2.gz SZAOLXJXKDWZIA-TUAOUCFPSA-N -1 1 268.357 1.040 20 0 CDADMM CC[C@H]1CN(CC)CCN1C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001526746149 968599909 /nfs/dbraw/zinc/59/99/09/968599909.db2.gz SZAOLXJXKDWZIA-TUAOUCFPSA-N -1 1 268.357 1.040 20 0 CDADMM C[C@H](N[C@@H]1CCN(CC(=O)[O-])C1=O)c1ccsc1 ZINC000694765552 968947870 /nfs/dbraw/zinc/94/78/70/968947870.db2.gz MVJRBZWASHRZOV-WCBMZHEXSA-N -1 1 268.338 1.084 20 0 CDADMM CCc1ccc2occ(C(=O)N(C)c3nn[n-]n3)c2c1 ZINC001532086102 969316759 /nfs/dbraw/zinc/31/67/59/969316759.db2.gz YWLHEKZPZJGFMA-UHFFFAOYSA-N -1 1 271.280 1.785 20 0 CDADMM CCc1nc([C@H](C)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)n[nH]1 ZINC001351680099 969772081 /nfs/dbraw/zinc/77/20/81/969772081.db2.gz UVTGXAFSCVLRGN-GUBZILKMSA-N -1 1 266.345 1.471 20 0 CDADMM CCC[C@H](NC(=O)C[C@H]1CCCC[C@@H]1O)c1nn[n-]n1 ZINC001465685440 969889666 /nfs/dbraw/zinc/88/96/66/969889666.db2.gz RCCJOCYRDBYYGU-VWYCJHECSA-N -1 1 281.360 1.098 20 0 CDADMM CCN(CCSC)C(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001520264121 970164734 /nfs/dbraw/zinc/16/47/34/970164734.db2.gz IVVLQHCQDXNPAV-UHFFFAOYSA-N -1 1 287.410 1.604 20 0 CDADMM COC(=O)c1nc[nH]c1NC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001361553256 970284975 /nfs/dbraw/zinc/28/49/75/970284975.db2.gz XUUSCIKJHJHANG-SNVBAGLBSA-N -1 1 289.266 1.614 20 0 CDADMM C[C@]1(C(=O)[O-])CCC[N@H+]1CC(=O)[N-]OCc1ccccc1 ZINC001603292588 972556431 /nfs/dbraw/zinc/55/64/31/972556431.db2.gz HGZSURVGDCBPQE-OAHLLOKOSA-N -1 1 292.335 1.174 20 0 CDADMM CC[C@@H](C)C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCCC1 ZINC001495898498 972691332 /nfs/dbraw/zinc/69/13/32/972691332.db2.gz XELJEOBJZXSWLV-SNVBAGLBSA-N -1 1 295.387 1.075 20 0 CDADMM Cc1cc(-c2noc(COCC(=O)[O-])n2)cc2nc[nH]c21 ZINC001605091572 972737233 /nfs/dbraw/zinc/73/72/33/972737233.db2.gz DYJJMAWFSZYGRC-UHFFFAOYSA-N -1 1 288.263 1.523 20 0 CDADMM O=C([O-])[C@H](NC[C@H](O)C(F)(F)F)c1ccc(F)cc1 ZINC001605903839 972748054 /nfs/dbraw/zinc/74/80/54/972748054.db2.gz NRSBIQGCAABVFZ-DTWKUNHWSA-N -1 1 281.205 1.464 20 0 CDADMM Cc1c(F)cccc1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000398747800 973169686 /nfs/dbraw/zinc/16/96/86/973169686.db2.gz UGPKLJTYVQJWAC-GFCCVEGCSA-N -1 1 291.282 1.283 20 0 CDADMM COc1cc(CN2CC(C)(C(=O)[O-])C2)cc2c1OCO2 ZINC000399146126 973193530 /nfs/dbraw/zinc/19/35/30/973193530.db2.gz CFWDRYZGXIZLJD-UHFFFAOYSA-N -1 1 279.292 1.330 20 0 CDADMM COc1cc2c(cc1CN1CC(C)(C(=O)[O-])C1)O[C@@H](C)C2 ZINC000399205570 973202386 /nfs/dbraw/zinc/20/23/86/973202386.db2.gz OTLFHMXPTUSBQE-JTQLQIEISA-N -1 1 291.347 1.925 20 0 CDADMM C[C@@H]1CN(Cc2noc3c2COCC3)CC[C@@H]1C(=O)[O-] ZINC001603463953 973325247 /nfs/dbraw/zinc/32/52/47/973325247.db2.gz MTLDSABEGWQMJI-ZJUUUORDSA-N -1 1 280.324 1.290 20 0 CDADMM CO[C@]1(CO)CCCN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000401695562 973377802 /nfs/dbraw/zinc/37/78/02/973377802.db2.gz JZHDNIMWTRXRFC-OAHLLOKOSA-N -1 1 297.326 1.497 20 0 CDADMM COc1ccc(Cl)cc1CN1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC000401789427 973391927 /nfs/dbraw/zinc/39/19/27/973391927.db2.gz MSEUBNVBJUFPSC-JQWIXIFHSA-N -1 1 299.754 1.616 20 0 CDADMM O=C([O-])CCCCNc1nc(Cl)nc2[nH]cnc21 ZINC001606170335 973416930 /nfs/dbraw/zinc/41/69/30/973416930.db2.gz JCWMTXGEMPLLRD-UHFFFAOYSA-N -1 1 269.692 1.625 20 0 CDADMM Cc1nc(CN2C[C@@H](O)C[C@H](C(=O)[O-])C2)sc1C ZINC000401943110 973550627 /nfs/dbraw/zinc/55/06/27/973550627.db2.gz PRHCNVYVXTVWCH-UWVGGRQHSA-N -1 1 270.354 1.027 20 0 CDADMM CCCC1(C(=O)NC[C@@H](CC)NCc2n[nH]c(=O)[n-]2)CC1 ZINC001373792323 973645523 /nfs/dbraw/zinc/64/55/23/973645523.db2.gz PRYNDEJTJSPMRC-SNVBAGLBSA-N -1 1 295.387 1.075 20 0 CDADMM CC[C@H](CNC(=O)N[C@H](C)Cc1cc(C)[nH]n1)C(=O)[O-] ZINC001603559343 973658807 /nfs/dbraw/zinc/65/88/07/973658807.db2.gz LWNUOBXYFRATNE-PSASIEDQSA-N -1 1 282.344 1.059 20 0 CDADMM Cn1cc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)nn1 ZINC001605496606 973662896 /nfs/dbraw/zinc/66/28/96/973662896.db2.gz NJBKBBFEGGTAAW-KGLIPLIRSA-N -1 1 286.335 1.115 20 0 CDADMM COCCN(CCC(=O)[O-])[C@@H](C)c1cnc(C)cn1 ZINC001604604980 973718607 /nfs/dbraw/zinc/71/86/07/973718607.db2.gz YVUZWZPEYJYPLW-NSHDSACASA-N -1 1 267.329 1.269 20 0 CDADMM Cn1nc(C(=O)[O-])cc1CNCc1ccc2cccnc2c1 ZINC001605544879 973748258 /nfs/dbraw/zinc/74/82/58/973748258.db2.gz GTNXLRFYCRSJMZ-UHFFFAOYSA-N -1 1 296.330 1.956 20 0 CDADMM CC[C@H]1CC(=O)N(CN2CCC[C@H](CCC(=O)[O-])C2)C1 ZINC001603618207 973906035 /nfs/dbraw/zinc/90/60/35/973906035.db2.gz LHWKGHVWZCJVRQ-QWHCGFSZSA-N -1 1 282.384 1.779 20 0 CDADMM N[C@@H](CC(=O)[O-])c1noc(Cc2cccc3cnccc32)n1 ZINC001605653324 974027903 /nfs/dbraw/zinc/02/79/03/974027903.db2.gz ADUZKLXVGUMGCJ-LBPRGKRZSA-N -1 1 298.302 1.683 20 0 CDADMM CCc1[nH]nc(Cl)c1CN(C)[C@H](CC)C(=O)[O-] ZINC001603980834 974478921 /nfs/dbraw/zinc/47/89/21/974478921.db2.gz RFBVMFXNGCLINI-SECBINFHSA-N -1 1 259.737 1.921 20 0 CDADMM CCCCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001397117491 975469141 /nfs/dbraw/zinc/46/91/41/975469141.db2.gz MQNMPJJHDUOIOR-NSHDSACASA-N -1 1 291.351 1.308 20 0 CDADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H](C)C1CC1 ZINC001397414976 975581449 /nfs/dbraw/zinc/58/14/49/975581449.db2.gz NBMPAIFLOMFJID-NXEZZACHSA-N -1 1 291.351 1.068 20 0 CDADMM COC(=O)N(C)CCNCc1cc(C(=O)[O-])c(C)o1 ZINC000689514572 976258651 /nfs/dbraw/zinc/25/86/51/976258651.db2.gz YJRVAAVGBLAWQD-UHFFFAOYSA-N -1 1 270.285 1.074 20 0 CDADMM COC[C@]1(C(=O)[O-])CCCN1CCOCC1CCCC1 ZINC000692381422 976443210 /nfs/dbraw/zinc/44/32/10/976443210.db2.gz XYSKBZWGXFOZIZ-HNNXBMFYSA-N -1 1 285.384 1.759 20 0 CDADMM CC(C)c1nc([C@@H](C)NCc2ncc(C(=O)[O-])s2)n[nH]1 ZINC001592014294 976693277 /nfs/dbraw/zinc/69/32/77/976693277.db2.gz CPBFXVPQSIZGQG-SSDOTTSWSA-N -1 1 295.368 1.934 20 0 CDADMM CC(C)c1n[nH]c(COC(=O)c2cc(C(=O)[O-])ccn2)n1 ZINC001592019608 976705950 /nfs/dbraw/zinc/70/59/50/976705950.db2.gz HRORLIMWHRXTPG-UHFFFAOYSA-N -1 1 290.279 1.378 20 0 CDADMM CC(C)c1nc(COC(=O)c2cc(C(=O)[O-])ccn2)n[nH]1 ZINC001592019608 976705956 /nfs/dbraw/zinc/70/59/56/976705956.db2.gz HRORLIMWHRXTPG-UHFFFAOYSA-N -1 1 290.279 1.378 20 0 CDADMM C[C@@H]1CCCC[C@@H]1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000714395813 977671650 /nfs/dbraw/zinc/67/16/50/977671650.db2.gz HGGYGGAGCMXBBR-ADEWGFFLSA-N -1 1 279.340 1.348 20 0 CDADMM C[C@](CC(=O)[O-])([NH2+]CCC[N-]C(=O)C(F)(F)F)C1CC1 ZINC001592317179 977698210 /nfs/dbraw/zinc/69/82/10/977698210.db2.gz HZXJRBVHFHVDGN-LLVKDONJSA-N -1 1 296.289 1.288 20 0 CDADMM Cc1oc(C(=O)[O-])cc1CN[C@@H](CO)CC(F)F ZINC000717841050 977922461 /nfs/dbraw/zinc/92/24/61/977922461.db2.gz MYFZKAHYSLFHJY-MRVPVSSYSA-N -1 1 263.240 1.392 20 0 CDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)OC2CCCC2)CC1 ZINC001592409405 977996160 /nfs/dbraw/zinc/99/61/60/977996160.db2.gz UEXTXTVUCYJOEF-LLVKDONJSA-N -1 1 284.356 1.546 20 0 CDADMM C[C@H](CC(=O)[O-])SCCN1C[C@H]2CC[C@@H](C1)O2 ZINC001592422486 978036822 /nfs/dbraw/zinc/03/68/22/978036822.db2.gz RIKANVZRVHXBFY-MXWKQRLJSA-N -1 1 259.371 1.446 20 0 CDADMM CCO[C@@H](CC)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001604401300 1163178231 /nfs/dbraw/zinc/17/82/31/1163178231.db2.gz CMPHQIQAPOEQRQ-LURJTMIESA-N -1 1 282.329 1.077 20 0 CDADMM CCO[C@@H](CC)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001604401300 1163178233 /nfs/dbraw/zinc/17/82/33/1163178233.db2.gz CMPHQIQAPOEQRQ-LURJTMIESA-N -1 1 282.329 1.077 20 0 CDADMM O=C([O-])c1ccc(C(=O)N2CCN3CCC2CC3)s1 ZINC000722813591 978168194 /nfs/dbraw/zinc/16/81/94/978168194.db2.gz VULINBGLKJOIBW-UHFFFAOYSA-N -1 1 280.349 1.367 20 0 CDADMM C[C@@H](c1ncc(C(=O)[O-])s1)N1CC[C@@](C)(C(N)=O)C1 ZINC001604479808 1163198054 /nfs/dbraw/zinc/19/80/54/1163198054.db2.gz WTDGZOZYTKRAFP-JVXZTZIISA-N -1 1 283.353 1.100 20 0 CDADMM C[C@H](c1nc(C(=O)[O-])co1)N1CC[C@H]2OCCC[C@@H]2C1 ZINC001604478189 1163198136 /nfs/dbraw/zinc/19/81/36/1163198136.db2.gz TZNUQARPJGGHNP-CKYFFXLPSA-N -1 1 280.324 1.935 20 0 CDADMM C[C@](Cn1cccn1)(NCc1c(F)cccc1F)C(=O)[O-] ZINC001592922595 979915941 /nfs/dbraw/zinc/91/59/41/979915941.db2.gz ASECCZIPIUKEDP-CQSZACIVSA-N -1 1 295.289 1.794 20 0 CDADMM C[C@@](Cn1cccn1)(NCc1cn2ccccc2n1)C(=O)[O-] ZINC001592926379 979947700 /nfs/dbraw/zinc/94/77/00/979947700.db2.gz PQCBGNYENPQPAZ-HNNXBMFYSA-N -1 1 299.334 1.164 20 0 CDADMM CCC1(CC)CCN(CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)C1=O ZINC001595374967 980890400 /nfs/dbraw/zinc/89/04/00/980890400.db2.gz HRHVUAIWTCTPSR-GDNZZTSVSA-N -1 1 280.368 1.245 20 0 CDADMM CC[C@H]1CN(CC)CCN1C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001595481718 981202710 /nfs/dbraw/zinc/20/27/10/981202710.db2.gz AQIXMCSCZDKMAO-STQMWFEESA-N -1 1 295.383 1.286 20 0 CDADMM 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CCCN1CCN(C(=O)c2cncc([O-])c2)C(C)(C)C1=O ZINC000275197449 365960379 /nfs/dbraw/zinc/96/03/79/365960379.db2.gz FGCHITWVPZVFJY-UHFFFAOYSA-N -1 1 291.351 1.260 20 0 CDADMM C[C@H](CN(C)C(=O)[C@H]1CCCC[C@H]1C)c1nn[n-]n1 ZINC000333285132 362969200 /nfs/dbraw/zinc/96/92/00/362969200.db2.gz NDQRNYSLWRXADC-MXWKQRLJSA-N -1 1 265.361 1.588 20 0 CDADMM C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccncc1[O-] ZINC000109890338 186278139 /nfs/dbraw/zinc/27/81/39/186278139.db2.gz QUQISCBIHZBXQM-UWVGGRQHSA-N -1 1 266.297 1.310 20 0 CDADMM CC[C@@H](CNC(=O)c1cnn[nH]1)Oc1ccccc1C ZINC000174989144 366002958 /nfs/dbraw/zinc/00/29/58/366002958.db2.gz MZBXYVDHCWWGME-NSHDSACASA-N -1 1 274.324 1.701 20 0 CDADMM O=C(Nc1ccncc1[O-])c1cnc2n1CCCCC2 ZINC000621861618 350817954 /nfs/dbraw/zinc/81/79/54/350817954.db2.gz IQKRRUBTGOLMOY-UHFFFAOYSA-N -1 1 272.308 1.384 20 0 CDADMM COCCCCC(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000622610654 351224335 /nfs/dbraw/zinc/22/43/35/351224335.db2.gz ZUZRCDCZVYJZQI-ZDUSSCGKSA-N -1 1 289.339 1.222 20 0 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C[C@@H](CO)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000156229176 188250696 /nfs/dbraw/zinc/25/06/96/188250696.db2.gz MRPQWSCMORQGCO-SNVBAGLBSA-N -1 1 259.305 1.904 20 0 CDADMM COC(=O)NCCCC(=O)Nc1nc(Cl)ccc1[O-] ZINC000276665570 366100185 /nfs/dbraw/zinc/10/01/85/366100185.db2.gz NFQIMTODHOVFPV-UHFFFAOYSA-N -1 1 287.703 1.515 20 0 CDADMM CC(C)N1CC[C@H](NC(=O)c2cc(Cl)ccc2[O-])C1=O ZINC000265287273 363283601 /nfs/dbraw/zinc/28/36/01/363283601.db2.gz NWDLLZSSDQVTAV-NSHDSACASA-N -1 1 296.754 1.785 20 0 CDADMM COc1cncc(C(=O)[N-]c2nnc(CC(C)C)s2)n1 ZINC000276923648 366222007 /nfs/dbraw/zinc/22/20/07/366222007.db2.gz YCGDZCDEJKAHIB-UHFFFAOYSA-N -1 1 293.352 1.788 20 0 CDADMM C[C@@H](CCCO)C[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632390303 363391813 /nfs/dbraw/zinc/39/18/13/363391813.db2.gz XXLBJWVIISDBPO-QMMMGPOBSA-N -1 1 297.323 1.904 20 0 CDADMM Cc1ccccc1C1(NC(=O)CCCc2nn[n-]n2)CC1 ZINC000636061638 363434430 /nfs/dbraw/zinc/43/44/30/363434430.db2.gz DHFBLLVPKGBTGF-UHFFFAOYSA-N -1 1 285.351 1.636 20 0 CDADMM 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1173896348 /nfs/dbraw/zinc/89/63/48/1173896348.db2.gz YWTXAJJLPJINQN-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM CCO[C@H]1C[C@@H]1NC(=O)c1cc(Cl)ccc1[O-] ZINC000582585297 325003228 /nfs/dbraw/zinc/00/32/28/325003228.db2.gz VRYJUHNVSVTZTI-ONGXEEELSA-N -1 1 255.701 1.953 20 0 CDADMM CC[C@@H](Nc1nc(C(F)(F)F)nc2[nH]cnc21)C(=O)[O-] ZINC000583860669 325254604 /nfs/dbraw/zinc/25/46/04/325254604.db2.gz WWHFRADAQCDFTG-SCSAIBSYSA-N -1 1 289.217 1.069 20 0 CDADMM Cc1nsc(N2CCCCC2)c1-c1nn[n-]n1 ZINC001592474302 1173900018 /nfs/dbraw/zinc/90/00/18/1173900018.db2.gz NNVYLUMOPCVFBA-UHFFFAOYSA-N -1 1 250.331 1.622 20 0 CDADMM Cc1nsc(N[C@@H]2CS[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001592486124 1173902848 /nfs/dbraw/zinc/90/28/48/1173902848.db2.gz DGMZMOORGITNBJ-FSPLSTOPSA-N -1 1 282.398 1.938 20 0 CDADMM NC(=O)c1cnccc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC000398980529 482253181 /nfs/dbraw/zinc/25/31/81/482253181.db2.gz DGQMHIGXIYWAJZ-SNVBAGLBSA-N -1 1 277.324 1.262 20 0 CDADMM O=C(NCc1nn[n-]n1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 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O=C(Nc1nn2cnnc2s1)c1ccc([O-])c(F)c1 ZINC000681089586 482696846 /nfs/dbraw/zinc/69/68/46/482696846.db2.gz FAZAFJKSXIPWQN-UHFFFAOYSA-N -1 1 279.256 1.283 20 0 CDADMM Cc1cccc(C)c1CS(=O)(=O)[N-]c1c[nH]cn1 ZINC000515206542 482736091 /nfs/dbraw/zinc/73/60/91/482736091.db2.gz ZXDQHSJUHMJXLD-UHFFFAOYSA-N -1 1 265.338 1.968 20 0 CDADMM CCO[C@H]1CCCN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000094762483 482807281 /nfs/dbraw/zinc/80/72/81/482807281.db2.gz ZDDRNFNKHVKLHB-ZDUSSCGKSA-N -1 1 264.325 1.781 20 0 CDADMM CCN(C[C@H]1CCOC1)C(=O)c1ncccc1[O-] ZINC000677873353 482814142 /nfs/dbraw/zinc/81/41/42/482814142.db2.gz BAVZVDQUMWHXJB-SNVBAGLBSA-N -1 1 250.298 1.286 20 0 CDADMM CCOCCNC(=O)c1ncc2ccccc2c1[O-] ZINC000666619214 482820415 /nfs/dbraw/zinc/82/04/15/482820415.db2.gz PDAFQURBFSTIET-UHFFFAOYSA-N -1 1 260.293 1.707 20 0 CDADMM CCC(=O)N1CC[C@@H](NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000681055861 483057203 /nfs/dbraw/zinc/05/72/03/483057203.db2.gz CRCSTGJYFKBBDS-SNVBAGLBSA-N -1 1 280.299 1.272 20 0 CDADMM 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SLICRQNJOJCSKN-QMMMGPOBSA-N -1 1 294.746 1.530 20 0 CDADMM CCC[C@H](NC(=O)CCc1csc(C)n1)c1nn[n-]n1 ZINC000736430437 575659310 /nfs/dbraw/zinc/65/93/10/575659310.db2.gz CTRSKQMKOBSPEH-JTQLQIEISA-N -1 1 294.384 1.555 20 0 CDADMM CC(C)N(C)CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000736454040 575665472 /nfs/dbraw/zinc/66/54/72/575665472.db2.gz CEMRLSLZARNQAB-LBPRGKRZSA-N -1 1 276.336 1.542 20 0 CDADMM CCCCS[C@@H](C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000736463990 575670364 /nfs/dbraw/zinc/67/03/64/575670364.db2.gz UCRSXLSTZMQEKZ-ZETCQYMHSA-N -1 1 295.372 1.207 20 0 CDADMM CC(C)N1CCN(Cc2noc(CCCC(=O)[O-])n2)CC1 ZINC000736473392 575672819 /nfs/dbraw/zinc/67/28/19/575672819.db2.gz DDVIRLWBLLLYCA-UHFFFAOYSA-N -1 1 296.371 1.003 20 0 CDADMM CC(C)Oc1ccc(CN2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000736491280 575675161 /nfs/dbraw/zinc/67/51/61/575675161.db2.gz MKYKPMUGASCVGS-OCCSQVGLSA-N -1 1 279.336 1.494 20 0 CDADMM C[C@@H](CN(C)C(=O)c1cnc(-c2ccccc2)[nH]1)C(=O)[O-] ZINC000736569682 575692308 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ZINC000736705236 575725906 /nfs/dbraw/zinc/72/59/06/575725906.db2.gz ZLNRPARQYGRXJJ-UHFFFAOYSA-N -1 1 288.340 1.288 20 0 CDADMM O=C(NC[C@@H](O)C1CCOCC1)c1c([O-])cccc1Cl ZINC000736726136 575729711 /nfs/dbraw/zinc/72/97/11/575729711.db2.gz HDSVOECLFUZHAN-GFCCVEGCSA-N -1 1 299.754 1.563 20 0 CDADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC000736743007 575732627 /nfs/dbraw/zinc/73/26/27/575732627.db2.gz WJHYXYLIENOXOZ-UHFFFAOYSA-N -1 1 298.281 1.677 20 0 CDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC000736743007 575732630 /nfs/dbraw/zinc/73/26/30/575732630.db2.gz WJHYXYLIENOXOZ-UHFFFAOYSA-N -1 1 298.281 1.677 20 0 CDADMM Cn1nccc1COC(=O)c1ccc([O-])cc1F ZINC000773567435 575826495 /nfs/dbraw/zinc/82/64/95/575826495.db2.gz UDYFNIRDAOYHGH-UHFFFAOYSA-N -1 1 250.229 1.622 20 0 CDADMM CC(=O)NCCCOC(=O)c1ccc([O-])cc1F ZINC000773572566 575827248 /nfs/dbraw/zinc/82/72/48/575827248.db2.gz IWQNRGPPESRMFX-UHFFFAOYSA-N -1 1 255.245 1.214 20 0 CDADMM C[C@@H](CN(C)C(=O)c1cccc(Cl)c1[O-])c1nn[nH]n1 ZINC000773997023 575847514 /nfs/dbraw/zinc/84/75/14/575847514.db2.gz AGUJSNLVXYWFIM-ZETCQYMHSA-N -1 1 295.730 1.434 20 0 CDADMM Cc1cc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)c(C)s1 ZINC000737235264 575904090 /nfs/dbraw/zinc/90/40/90/575904090.db2.gz VARVURHTCNYTRM-SNVBAGLBSA-N -1 1 293.352 1.092 20 0 CDADMM CN(C[C@@H]1CCS(=O)(=O)C1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737413685 575958909 /nfs/dbraw/zinc/95/89/09/575958909.db2.gz QUZHYORUWOHCTH-WCQYABFASA-N -1 1 297.376 1.179 20 0 CDADMM Cc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737436893 575964686 /nfs/dbraw/zinc/96/46/86/575964686.db2.gz SZOXJQMNLLTNEL-UHFFFAOYSA-N -1 1 280.291 1.822 20 0 CDADMM Cc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737436893 575964687 /nfs/dbraw/zinc/96/46/87/575964687.db2.gz SZOXJQMNLLTNEL-UHFFFAOYSA-N -1 1 280.291 1.822 20 0 CDADMM CN1CCCC[C@@H]1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000737518534 575981782 /nfs/dbraw/zinc/98/17/82/575981782.db2.gz QJCJTBBMDWXMAF-NWDGAFQWSA-N -1 1 280.368 1.184 20 0 CDADMM CN1CCC[C@H]1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737518646 575981854 /nfs/dbraw/zinc/98/18/54/575981854.db2.gz FFAJFHRZCUPCFF-ZDUSSCGKSA-N -1 1 276.336 1.737 20 0 CDADMM Cn1[n-]c(COC(=O)CCCC2CCCCC2)nc1=O ZINC000765385014 576014965 /nfs/dbraw/zinc/01/49/65/576014965.db2.gz DGJDAYZSUQLGEE-UHFFFAOYSA-N -1 1 281.356 1.902 20 0 CDADMM Cn1[n-]c(COC(=O)c2ccc3ccccc3n2)nc1=O ZINC000765390344 576015575 /nfs/dbraw/zinc/01/55/75/576015575.db2.gz QTJBTFWZZUQCRC-UHFFFAOYSA-N -1 1 284.275 1.014 20 0 CDADMM Cn1[n-]c(COC(=O)c2ccc3ncccc3c2)nc1=O ZINC000765461453 576026289 /nfs/dbraw/zinc/02/62/89/576026289.db2.gz PLVWWTRCTGQJKL-UHFFFAOYSA-N -1 1 284.275 1.014 20 0 CDADMM CCC(CC)(CC)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765494674 576030649 /nfs/dbraw/zinc/03/06/49/576030649.db2.gz DMSZGRQCZGKNRQ-UHFFFAOYSA-N -1 1 255.318 1.368 20 0 CDADMM CC[C@H](C)c1ccc(C(=O)OCc2nc(=O)n(C)[n-]2)cc1 ZINC000765496447 576030758 /nfs/dbraw/zinc/03/07/58/576030758.db2.gz NRDQISVYLVMSBB-JTQLQIEISA-N -1 1 289.335 1.979 20 0 CDADMM Cc1ccc2cc(C(=O)OCc3nc(=O)n(C)[n-]3)ccc2n1 ZINC000765501144 576031827 /nfs/dbraw/zinc/03/18/27/576031827.db2.gz GRKYZCDGCBPOOW-UHFFFAOYSA-N -1 1 298.302 1.322 20 0 CDADMM Cc1ccc(C[C@@H](C)C(=O)OCc2nc(=O)n(C)[n-]2)cc1 ZINC000765514457 576034666 /nfs/dbraw/zinc/03/46/66/576034666.db2.gz NCFNFZIFFGJTNC-LLVKDONJSA-N -1 1 289.335 1.339 20 0 CDADMM COc1ccnc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000738143359 576043114 /nfs/dbraw/zinc/04/31/14/576043114.db2.gz XIMBBHRHFIMKBM-CYBMUJFWSA-N -1 1 276.336 1.777 20 0 CDADMM O=C(OCC1CC1)c1sccc1-c1nn[n-]n1 ZINC000738218490 576049858 /nfs/dbraw/zinc/04/98/58/576049858.db2.gz GTTWPQAYYOMZOI-UHFFFAOYSA-N -1 1 250.283 1.495 20 0 CDADMM Cc1[nH]c(C(=O)CN2CC[C@H](C)C2)c(C)c1C(=O)[O-] ZINC000738233522 576052031 /nfs/dbraw/zinc/05/20/31/576052031.db2.gz RHJMDOCCEFBNAU-QMMMGPOBSA-N -1 1 264.325 1.854 20 0 CDADMM c1ccc2c(c1)CC(CNc1nccnc1-c1nnn[n-]1)C2 ZINC000738436433 576074635 /nfs/dbraw/zinc/07/46/35/576074635.db2.gz IFUYXZHNDNQZLM-UHFFFAOYSA-N -1 1 293.334 1.484 20 0 CDADMM c1ccc2c(c1)CC(CNc1nccnc1-c1nn[n-]n1)C2 ZINC000738436433 576074638 /nfs/dbraw/zinc/07/46/38/576074638.db2.gz IFUYXZHNDNQZLM-UHFFFAOYSA-N -1 1 293.334 1.484 20 0 CDADMM Cc1ccc([C@H]2CCCN2CC(=O)NCCC(=O)[O-])o1 ZINC000738581104 576091113 /nfs/dbraw/zinc/09/11/13/576091113.db2.gz BRYULNMRCFZQMI-LLVKDONJSA-N -1 1 280.324 1.316 20 0 CDADMM Cc1cccc2c(=O)c(C(=O)NCCCC(=O)[O-])c[nH]c12 ZINC000738748282 576108499 /nfs/dbraw/zinc/10/84/99/576108499.db2.gz RZZIGSCQTBKKCJ-UHFFFAOYSA-N -1 1 288.303 1.431 20 0 CDADMM O=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccc([O-])c(F)c1 ZINC000767292192 576176503 /nfs/dbraw/zinc/17/65/03/576176503.db2.gz SXUBLCIDHBXCDJ-UHFFFAOYSA-N -1 1 299.265 1.964 20 0 CDADMM O=C([O-])C1(NCC(=O)NCc2cccnc2)CCCCC1 ZINC000739310151 576205299 /nfs/dbraw/zinc/20/52/99/576205299.db2.gz XTEUUOQBYALZKD-UHFFFAOYSA-N -1 1 291.351 1.075 20 0 CDADMM CO[C@H](CNC(=O)c1ccc([O-])c(F)c1)C(F)(F)F ZINC000768145998 576260895 /nfs/dbraw/zinc/26/08/95/576260895.db2.gz OVQRAXBRTAKEGW-SECBINFHSA-N -1 1 281.205 1.838 20 0 CDADMM Cc1nc(CCNC(=O)c2cccc(NC(=O)[O-])c2)n[nH]1 ZINC000740223840 576445267 /nfs/dbraw/zinc/44/52/67/576445267.db2.gz QPDQQQIBDAZUMW-UHFFFAOYSA-N -1 1 289.295 1.176 20 0 CDADMM CC(C)[C@H](C(=O)[N-]OCC(F)F)N1C[C@@H](C)O[C@H](C)C1 ZINC000760146173 576461469 /nfs/dbraw/zinc/46/14/69/576461469.db2.gz FQTXVRRAKNLKDJ-CKYFFXLPSA-N -1 1 294.342 1.433 20 0 CDADMM Cc1ccc([C@@H](O)CNC(=O)c2cncc([O-])c2)o1 ZINC000741293012 576550111 /nfs/dbraw/zinc/55/01/11/576550111.db2.gz CTWRNIAZSLASLJ-NSHDSACASA-N -1 1 262.265 1.152 20 0 CDADMM COC(=O)[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000761603471 576585015 /nfs/dbraw/zinc/58/50/15/576585015.db2.gz SXYFHLIKCUFAIY-ZCFIWIBFSA-N -1 1 257.673 1.337 20 0 CDADMM Cc1nonc1CNC(=O)c1ccc(Cl)cc1[O-] ZINC000743418046 576639095 /nfs/dbraw/zinc/63/90/95/576639095.db2.gz LFUVXCRFHXAMGZ-UHFFFAOYSA-N -1 1 267.672 1.667 20 0 CDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCCC1CC1 ZINC000744955376 576707015 /nfs/dbraw/zinc/70/70/15/576707015.db2.gz DGXGFONBYGWGSH-UHFFFAOYSA-N -1 1 289.335 1.938 20 0 CDADMM COCCCCNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000747204500 576862878 /nfs/dbraw/zinc/86/28/78/576862878.db2.gz RCSMVXOBWWHVIP-UHFFFAOYSA-N -1 1 281.356 1.770 20 0 CDADMM CCCCSc1nc([O-])cc(=O)n1CCOC ZINC000754280521 576889842 /nfs/dbraw/zinc/88/98/42/576889842.db2.gz TVZYUBNIIATUMM-UHFFFAOYSA-N -1 1 258.343 1.488 20 0 CDADMM CN(C)c1nc(C[N-]C(=O)C(F)(F)C(F)F)cs1 ZINC000749417448 576947823 /nfs/dbraw/zinc/94/78/23/576947823.db2.gz XXDQYVBRGSVEDI-UHFFFAOYSA-N -1 1 285.266 1.726 20 0 CDADMM O=C(NCCCO[C@H]1CCOC1)c1c([O-])cccc1Cl ZINC000757425427 577039909 /nfs/dbraw/zinc/03/99/09/577039909.db2.gz KPRJFXWWJWWOCA-JTQLQIEISA-N -1 1 299.754 1.971 20 0 CDADMM Cc1[n-]n(-c2cccc(S(C)(=O)=O)c2)c(=O)c1F ZINC000871954222 620636760 /nfs/dbraw/zinc/63/67/60/620636760.db2.gz LOECRRLBTZYURN-SNVBAGLBSA-N -1 1 270.285 1.151 20 0 CDADMM Fc1cccc(Sc2ncc[nH]2)c1-c1nn[n-]n1 ZINC000095218714 599064288 /nfs/dbraw/zinc/06/42/88/599064288.db2.gz RNJGELOMXLITOQ-UHFFFAOYSA-N -1 1 262.273 1.880 20 0 CDADMM Cc1cccc(F)c1CNc1nccnc1-c1nnn[n-]1 ZINC000095213918 599066803 /nfs/dbraw/zinc/06/68/03/599066803.db2.gz FEULGXLDSGJIGI-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1cccc(F)c1CNc1nccnc1-c1nn[n-]n1 ZINC000095213918 599066806 /nfs/dbraw/zinc/06/68/06/599066806.db2.gz FEULGXLDSGJIGI-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM O=C([O-])c1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])C2)s1 ZINC001602336372 1175210421 /nfs/dbraw/zinc/21/04/21/1175210421.db2.gz VMAFPNGDVULEPO-ZETCQYMHSA-N -1 1 255.295 1.353 20 0 CDADMM O=C([O-])c1ccc(CNC[C@H](O)C(F)(F)F)c(F)c1 ZINC001602347124 1175219004 /nfs/dbraw/zinc/21/90/04/1175219004.db2.gz ANOKCEJKHCKWNL-VIFPVBQESA-N -1 1 281.205 1.537 20 0 CDADMM CC(=O)c1ccc(N2CCN([C@H](C)C(=O)[O-])CC2)c(F)c1 ZINC000237441410 597056950 /nfs/dbraw/zinc/05/69/50/597056950.db2.gz HPJGJMFVJDUDII-SNVBAGLBSA-N -1 1 294.326 1.623 20 0 CDADMM Cc1nc(CN2CCC[C@H](CC(=O)[O-])C2)oc1C ZINC000054300561 597088435 /nfs/dbraw/zinc/08/84/35/597088435.db2.gz YIQNODCVRIBHMY-LLVKDONJSA-N -1 1 252.314 1.978 20 0 CDADMM C[C@@H](C(=O)OC(C)(C)C)N1CCC[C@H](CC(=O)[O-])C1 ZINC000817791551 597088645 /nfs/dbraw/zinc/08/86/45/597088645.db2.gz IIPUJKZFDIYRDC-WDEREUQCSA-N -1 1 271.357 1.903 20 0 CDADMM C[C@H](N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O)C(=O)[O-] ZINC000818046195 597207010 /nfs/dbraw/zinc/20/70/10/597207010.db2.gz KXIMEJLEQHEXJJ-JBLDHEPKSA-N -1 1 262.309 1.243 20 0 CDADMM O=C([O-])CCCCCNC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000094442101 597302928 /nfs/dbraw/zinc/30/29/28/597302928.db2.gz BFOZTDVCWHBESB-CYBMUJFWSA-N -1 1 297.399 1.511 20 0 CDADMM O=C([O-])CCN1CCO[C@]2(CCc3ccccc32)C1 ZINC000821524938 597384531 /nfs/dbraw/zinc/38/45/31/597384531.db2.gz FVBLVGOJLXRARX-OAHLLOKOSA-N -1 1 261.321 1.635 20 0 CDADMM Cc1ccc(C(N)=O)cc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000822230837 607312896 /nfs/dbraw/zinc/31/28/96/607312896.db2.gz RQOGTTMCRJUIHB-UHFFFAOYSA-N -1 1 298.306 1.479 20 0 CDADMM Cc1ccc(C(N)=O)cc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000822230837 607312897 /nfs/dbraw/zinc/31/28/97/607312897.db2.gz RQOGTTMCRJUIHB-UHFFFAOYSA-N -1 1 298.306 1.479 20 0 CDADMM CC(C)(C)OC(=O)[C@@H]1CCCN1CCCC(=O)[O-] ZINC000819914993 597789547 /nfs/dbraw/zinc/78/95/47/597789547.db2.gz PTUVIOVYUCWFLV-JTQLQIEISA-N -1 1 257.330 1.657 20 0 CDADMM CCSc1ccc([C@H](C)NCC(=O)NCC(=O)[O-])cc1 ZINC000820405755 597808738 /nfs/dbraw/zinc/80/87/38/597808738.db2.gz VBHFVIXIRALFMG-JTQLQIEISA-N -1 1 296.392 1.650 20 0 CDADMM O=C([O-])[C@H]1CCCC[N@H+]1CC(=O)[N-]OCc1ccccc1 ZINC000821383532 598162129 /nfs/dbraw/zinc/16/21/29/598162129.db2.gz SDAPASHQNBWCMA-CYBMUJFWSA-N -1 1 292.335 1.174 20 0 CDADMM O=C([O-])CSc1nc(-c2ccc3c(c2)OCCO3)n[nH]1 ZINC000037368362 598223479 /nfs/dbraw/zinc/22/34/79/598223479.db2.gz MCTNUOAKNNYRAF-UHFFFAOYSA-N -1 1 293.304 1.420 20 0 CDADMM Fc1ccc(Sc2nccnc2-c2nn[n-]n2)cc1 ZINC000095234432 598335924 /nfs/dbraw/zinc/33/59/24/598335924.db2.gz QOOTYCUFOGEOTA-UHFFFAOYSA-N -1 1 274.284 1.947 20 0 CDADMM O=C([O-])c1sc(N2CC[C@H](N3CC=CC3)C2)nc1Cl ZINC000833346446 600820139 /nfs/dbraw/zinc/82/01/39/600820139.db2.gz MOVDKTPUTHUVPA-QMMMGPOBSA-N -1 1 299.783 1.945 20 0 CDADMM Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000095216214 598720924 /nfs/dbraw/zinc/72/09/24/598720924.db2.gz QYCDPNQWUFULOP-UHFFFAOYSA-N -1 1 261.672 1.372 20 0 CDADMM CN(Cc1ccsc1)c1cccc(-c2nnn[n-]2)n1 ZINC000095294910 599396754 /nfs/dbraw/zinc/39/67/54/599396754.db2.gz UZMYTFDGUFSNQZ-UHFFFAOYSA-N -1 1 272.337 1.960 20 0 CDADMM CN(Cc1ccsc1)c1cccc(-c2nn[n-]n2)n1 ZINC000095294910 599396757 /nfs/dbraw/zinc/39/67/57/599396757.db2.gz UZMYTFDGUFSNQZ-UHFFFAOYSA-N -1 1 272.337 1.960 20 0 CDADMM CN(C)c1cccc(CNc2cccc(-c3nnn[n-]3)n2)n1 ZINC000825880195 607851950 /nfs/dbraw/zinc/85/19/50/607851950.db2.gz XWPDXPUANGGTMP-UHFFFAOYSA-N -1 1 296.338 1.335 20 0 CDADMM CN(C)c1cccc(CNc2cccc(-c3nn[n-]n3)n2)n1 ZINC000825880195 607851951 /nfs/dbraw/zinc/85/19/51/607851951.db2.gz XWPDXPUANGGTMP-UHFFFAOYSA-N -1 1 296.338 1.335 20 0 CDADMM CCCC[C@@H](C(=O)[O-])N1CCN(CC(F)(F)F)CC1 ZINC000132639075 599704530 /nfs/dbraw/zinc/70/45/30/599704530.db2.gz AINLFYDBUZGXSP-JTQLQIEISA-N -1 1 282.306 1.810 20 0 CDADMM CCN(CC)Cc1ccc(C(=O)NC[C@H](C)C(=O)[O-])o1 ZINC000054310361 599770979 /nfs/dbraw/zinc/77/09/79/599770979.db2.gz FAYUXRYVIRCZQY-JTQLQIEISA-N -1 1 282.340 1.572 20 0 CDADMM Cc1cnc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cn1 ZINC000693814556 600299547 /nfs/dbraw/zinc/29/95/47/600299547.db2.gz QSOLHSXYLDPXOK-GFCCVEGCSA-N -1 1 261.325 1.472 20 0 CDADMM COc1ccccc1NC(=O)CN(CCC(=O)[O-])C(C)C ZINC000037596008 600444806 /nfs/dbraw/zinc/44/48/06/600444806.db2.gz FTMPJSHUNAHUTL-UHFFFAOYSA-N -1 1 294.351 1.819 20 0 CDADMM CC[C@@](C)(NCC(=O)NC1CCCCCC1)C(=O)[O-] ZINC000094228044 600562162 /nfs/dbraw/zinc/56/21/62/600562162.db2.gz YDICFHBMRCUCLE-CQSZACIVSA-N -1 1 270.373 1.668 20 0 CDADMM Cc1cc(CNC(=O)c2ccc(C(=O)[O-])s2)n[nH]1 ZINC000716799493 600636086 /nfs/dbraw/zinc/63/60/86/600636086.db2.gz GDZIIZNWNOVLQQ-UHFFFAOYSA-N -1 1 265.294 1.408 20 0 CDADMM C[C@@](NCC(=O)NC1CCCCCC1)(C(=O)[O-])C1CC1 ZINC000827728622 601029288 /nfs/dbraw/zinc/02/92/88/601029288.db2.gz UBRMPIRRURIJGO-HNNXBMFYSA-N -1 1 282.384 1.668 20 0 CDADMM C/C(=C\CN1CCCC[C@@H]1C1OCCO1)C(=O)[O-] ZINC000825741277 601053843 /nfs/dbraw/zinc/05/38/43/601053843.db2.gz LHULZPBNAGFVAH-IGLBNKAOSA-N -1 1 255.314 1.245 20 0 CDADMM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cnc[nH]1 ZINC000833177637 601088338 /nfs/dbraw/zinc/08/83/38/601088338.db2.gz AWHAEVJZIQCMNG-WCQYABFASA-N -1 1 291.351 1.905 20 0 CDADMM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)N(C)C ZINC000832803699 601137230 /nfs/dbraw/zinc/13/72/30/601137230.db2.gz SLAXXZZTZXUMPG-WRWORJQWSA-N -1 1 286.278 1.157 20 0 CDADMM COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C/C=C(/C)C(=O)[O-] ZINC000831100351 601157336 /nfs/dbraw/zinc/15/73/36/601157336.db2.gz NGFBYHGWEWOVQL-KATQLPLLSA-N -1 1 281.352 1.823 20 0 CDADMM C/C(=C/CN1CCN(Cc2cccc(O)c2)CC1)C(=O)[O-] ZINC000825746373 601170926 /nfs/dbraw/zinc/17/09/26/601170926.db2.gz HIOOAUCGIUZBFD-ACAGNQJTSA-N -1 1 290.363 1.541 20 0 CDADMM C[C@@H](CN(CC(=O)Nc1ccc(O)cc1)C1CC1)C(=O)[O-] ZINC000827450671 601305283 /nfs/dbraw/zinc/30/52/83/601305283.db2.gz ZLVMGRZWFWKRET-JTQLQIEISA-N -1 1 292.335 1.516 20 0 CDADMM CCNC(=O)CN1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000829790656 601433590 /nfs/dbraw/zinc/43/35/90/601433590.db2.gz ZPGDTPPHOZHHJL-STQMWFEESA-N -1 1 282.384 1.478 20 0 CDADMM CCN(C)C(=O)CN1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000829609046 601433764 /nfs/dbraw/zinc/43/37/64/601433764.db2.gz WQUFWVYHOZGNAX-KGLIPLIRSA-N -1 1 296.411 1.820 20 0 CDADMM Cc1cccc(OC[C@H](O)CN2CC[C@](F)(C(=O)[O-])C2)c1 ZINC000832972037 601445414 /nfs/dbraw/zinc/44/54/14/601445414.db2.gz GRVLMXNTNOYLKK-IUODEOHRSA-N -1 1 297.326 1.233 20 0 CDADMM COC[C@@](C)(CC(=O)[O-])NCc1nccn1C(F)F ZINC000831586087 601489870 /nfs/dbraw/zinc/48/98/70/601489870.db2.gz SKUSAVOXIHVOKC-LLVKDONJSA-N -1 1 277.271 1.248 20 0 CDADMM COC[C@](C)(CC(=O)[O-])NCc1nccn1C(F)F ZINC000831586093 601489913 /nfs/dbraw/zinc/48/99/13/601489913.db2.gz SKUSAVOXIHVOKC-NSHDSACASA-N -1 1 277.271 1.248 20 0 CDADMM COC[C@@](C)(CC(=O)OC)NCc1cc(C(=O)[O-])c(C)o1 ZINC000831591182 601489971 /nfs/dbraw/zinc/48/99/71/601489971.db2.gz RYRDQMFOQSGDCU-CQSZACIVSA-N -1 1 299.323 1.344 20 0 CDADMM C[C@@H]1CN(Cc2nnc(-c3ccco3)o2)C[C@@H]1C(=O)[O-] ZINC000111255545 601516783 /nfs/dbraw/zinc/51/67/83/601516783.db2.gz GNMZWRQIGCKPDH-BDAKNGLRSA-N -1 1 277.280 1.482 20 0 CDADMM COC(=O)c1occc1CN1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000831470025 601534509 /nfs/dbraw/zinc/53/45/09/601534509.db2.gz CCLWRNAKRQQYGM-WCBMZHEXSA-N -1 1 267.281 1.219 20 0 CDADMM C[C@@H](C(=O)N[C@H](C(=O)[O-])C1CC1)N(C)Cc1ccccc1 ZINC000825991159 601595795 /nfs/dbraw/zinc/59/57/95/601595795.db2.gz XDNFHAKHRJGTDG-FZMZJTMJSA-N -1 1 290.363 1.486 20 0 CDADMM Cc1cc(COC(=O)CCc2nc[nH]n2)oc1C(=O)[O-] ZINC000832886407 601612037 /nfs/dbraw/zinc/61/20/37/601612037.db2.gz YBHGHMJOIAVWOX-UHFFFAOYSA-N -1 1 279.252 1.080 20 0 CDADMM Cc1sc(C(=O)[O-])cc1CN1CCC[C@@H]1C(=O)N(C)C ZINC000833033097 601616608 /nfs/dbraw/zinc/61/66/08/601616608.db2.gz VGTUVRVGKMDHCV-LLVKDONJSA-N -1 1 296.392 1.807 20 0 CDADMM Cc1sc(C(=O)[O-])cc1CN1CCC[C@H]1C(=O)N(C)C ZINC000833033098 601616534 /nfs/dbraw/zinc/61/65/34/601616534.db2.gz VGTUVRVGKMDHCV-NSHDSACASA-N -1 1 296.392 1.807 20 0 CDADMM CCCCC[C@@H](NC(=O)c1[nH]nc2c1CCC2)C(=O)[O-] ZINC000829339090 601673569 /nfs/dbraw/zinc/67/35/69/601673569.db2.gz COLXMCHQASYSFB-LLVKDONJSA-N -1 1 279.340 1.662 20 0 CDADMM O=C([O-])Cc1ccccc1NC(=O)CCc1nc[nH]n1 ZINC000819602831 601730531 /nfs/dbraw/zinc/73/05/31/601730531.db2.gz DKPQIVQRGYTRKW-UHFFFAOYSA-N -1 1 274.280 1.003 20 0 CDADMM Cc1cc2c[nH]nc2c(C(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000832861061 601762341 /nfs/dbraw/zinc/76/23/41/601762341.db2.gz UBBCDFNZWGPWRU-CABZTGNLSA-N -1 1 287.319 1.664 20 0 CDADMM Cc1cc(CSCc2ccnc(-c3nnn[n-]3)c2)on1 ZINC000826267741 607532645 /nfs/dbraw/zinc/53/26/45/607532645.db2.gz UDUSOXSMICAVPT-UHFFFAOYSA-N -1 1 288.336 1.992 20 0 CDADMM Cc1cc(CSCc2ccnc(-c3nn[n-]n3)c2)on1 ZINC000826267741 607532647 /nfs/dbraw/zinc/53/26/47/607532647.db2.gz UDUSOXSMICAVPT-UHFFFAOYSA-N -1 1 288.336 1.992 20 0 CDADMM COC(=O)c1occc1CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000831471496 601912974 /nfs/dbraw/zinc/91/29/74/601912974.db2.gz SYTXBKPBUDMRAK-CYBMUJFWSA-N -1 1 267.281 1.363 20 0 CDADMM CN1CCC[C@H]1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000820620675 602024682 /nfs/dbraw/zinc/02/46/82/602024682.db2.gz QPRWPBIJKNBFEA-LBPRGKRZSA-N -1 1 262.309 1.095 20 0 CDADMM C[C@@H](CC(=O)[O-])C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000827279660 602077234 /nfs/dbraw/zinc/07/72/34/602077234.db2.gz GCHXPOMDVCAZRD-GXFFZTMASA-N -1 1 296.342 1.655 20 0 CDADMM C[C@@H](CC(=O)[O-])C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000827279753 602109529 /nfs/dbraw/zinc/10/95/29/602109529.db2.gz HLMUDADHXYLKIN-GWCFXTLKSA-N -1 1 296.342 1.655 20 0 CDADMM CCCC1(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)CCC1 ZINC000829231348 602315696 /nfs/dbraw/zinc/31/56/96/602315696.db2.gz WXVWGZVXHNUZHV-ZDUSSCGKSA-N -1 1 296.411 1.964 20 0 CDADMM O=C(CCn1cccc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826409667 607612510 /nfs/dbraw/zinc/61/25/10/607612510.db2.gz JYOJDKRVSDMSCN-UHFFFAOYSA-N -1 1 298.306 1.197 20 0 CDADMM O=C(CCn1cccc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826409667 607612511 /nfs/dbraw/zinc/61/25/11/607612511.db2.gz JYOJDKRVSDMSCN-UHFFFAOYSA-N -1 1 298.306 1.197 20 0 CDADMM CC(C)(NC(=O)[O-])C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000824020418 603547527 /nfs/dbraw/zinc/54/75/27/603547527.db2.gz MXNSLPQKPIFIDK-UHFFFAOYSA-N -1 1 280.328 1.162 20 0 CDADMM O=C([O-])NCCCC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000832609299 603551255 /nfs/dbraw/zinc/55/12/55/603551255.db2.gz USVRDHUIGKAKEQ-UHFFFAOYSA-N -1 1 294.286 1.366 20 0 CDADMM C[C@@H](C(=O)Nc1ccc(NC(=O)[O-])cc1)N(C)C ZINC000829783174 604152373 /nfs/dbraw/zinc/15/23/73/604152373.db2.gz HVYIWQHCLBSEQQ-QMMMGPOBSA-N -1 1 251.286 1.665 20 0 CDADMM COc1ccc(CN(C)c2cccc(-c3nnn[n-]3)n2)cn1 ZINC000826193187 607677638 /nfs/dbraw/zinc/67/76/38/607677638.db2.gz SYYRACBBVUCZAH-UHFFFAOYSA-N -1 1 297.322 1.302 20 0 CDADMM COc1ccc(CN(C)c2cccc(-c3nn[n-]n3)n2)cn1 ZINC000826193187 607677640 /nfs/dbraw/zinc/67/76/40/607677640.db2.gz SYYRACBBVUCZAH-UHFFFAOYSA-N -1 1 297.322 1.302 20 0 CDADMM CN1CCO[C@H]2CN(Cc3ccc(F)cc3C(=O)[O-])C[C@@H]21 ZINC000830963743 604424449 /nfs/dbraw/zinc/42/44/49/604424449.db2.gz FKNYRYIDPWDEBE-KBPBESRZSA-N -1 1 294.326 1.039 20 0 CDADMM C[N@@H+](CCC(=O)[O-])Cc1nc(=O)c2sccc2[n-]1 ZINC000037932807 604736671 /nfs/dbraw/zinc/73/66/71/604736671.db2.gz KZKVSJWKCZJTBJ-UHFFFAOYSA-N -1 1 267.310 1.303 20 0 CDADMM C[C@@H]1[C@H](C)N(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CCN1C ZINC000833582977 604837888 /nfs/dbraw/zinc/83/78/88/604837888.db2.gz AYPFBTNHVQKWBB-VOAKCMCISA-N -1 1 282.384 1.428 20 0 CDADMM C[C@H]1[C@H](C)N(C(=O)C2CCC(C(=O)[O-])CC2)CCN1C ZINC000833585066 604838784 /nfs/dbraw/zinc/83/87/84/604838784.db2.gz ZMACHRCKOQDYBU-ZSVAQUKISA-N -1 1 282.384 1.428 20 0 CDADMM C[C@H]1[C@H](C)N(C(=O)c2cccc(NC(=O)[O-])c2)CCN1C ZINC000833588235 604839069 /nfs/dbraw/zinc/83/90/69/604839069.db2.gz OZVIZZPFKRQJHM-QWRGUYRKSA-N -1 1 291.351 1.941 20 0 CDADMM CCc1noc(C)c1CN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833679557 604980950 /nfs/dbraw/zinc/98/09/50/604980950.db2.gz SYNSBTPQBNEDRM-CYBMUJFWSA-N -1 1 282.340 1.203 20 0 CDADMM Cc1ccc(CN[C@H](C(=O)[O-])c2cccnc2)cn1 ZINC000832933575 604993237 /nfs/dbraw/zinc/99/32/37/604993237.db2.gz FGKJCEQLDAIQDR-ZDUSSCGKSA-N -1 1 257.293 1.701 20 0 CDADMM C[C@H](CN(CN1C[C@H](C2CC2)CC1=O)C1CC1)C(=O)[O-] ZINC000833516366 605001786 /nfs/dbraw/zinc/00/17/86/605001786.db2.gz KVSHMEJSJPRHRJ-ZYHUDNBSSA-N -1 1 280.368 1.388 20 0 CDADMM O=C([O-])CCCN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000821523986 605085545 /nfs/dbraw/zinc/08/55/45/605085545.db2.gz WBRBMYWBULGECI-GXFFZTMASA-N -1 1 285.290 1.937 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CC=CCC1 ZINC000833624051 605102535 /nfs/dbraw/zinc/10/25/35/605102535.db2.gz UIUASOOSLLGNPF-QWHCGFSZSA-N -1 1 280.368 1.350 20 0 CDADMM C[C@@H](O)C1CCN(Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC000833526294 605107278 /nfs/dbraw/zinc/10/72/78/605107278.db2.gz HUZTVRABVNMAES-SECBINFHSA-N -1 1 252.314 1.306 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CC1(C)C ZINC000833620108 605114569 /nfs/dbraw/zinc/11/45/69/605114569.db2.gz KFMZMHKNCFHZCN-GHMZBOCLSA-N -1 1 268.357 1.040 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(C)(C)C ZINC000833624421 605158001 /nfs/dbraw/zinc/15/80/01/605158001.db2.gz UVNLSQOYLVAWNC-JTQLQIEISA-N -1 1 256.346 1.040 20 0 CDADMM C[C@@H]1CN(C(=O)/C=C/C(C)(C)C)CCN1CCC(=O)[O-] ZINC000833618203 605276569 /nfs/dbraw/zinc/27/65/69/605276569.db2.gz LURYFFDHOMOZBR-HOSRBBHYSA-N -1 1 282.384 1.596 20 0 CDADMM C[C@@H]1CCC[C@@H]1C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833610687 605367979 /nfs/dbraw/zinc/36/79/79/605367979.db2.gz XTLFBFNUEJLKPR-UPJWGTAASA-N -1 1 282.384 1.430 20 0 CDADMM C1=CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)CC1 ZINC001602748902 1175383024 /nfs/dbraw/zinc/38/30/24/1175383024.db2.gz IUFFWKOAZDNBAC-SNVBAGLBSA-N -1 1 271.328 1.815 20 0 CDADMM C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000833585072 605507928 /nfs/dbraw/zinc/50/79/28/605507928.db2.gz ZNNXIJGCFBWWCT-WDEREUQCSA-N -1 1 291.351 1.941 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000823478132 606121177 /nfs/dbraw/zinc/12/11/77/606121177.db2.gz GZXKQNMNNWKIRO-VXGBXAGGSA-N -1 1 298.350 1.524 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000823478132 606121179 /nfs/dbraw/zinc/12/11/79/606121179.db2.gz GZXKQNMNNWKIRO-VXGBXAGGSA-N -1 1 298.350 1.524 20 0 CDADMM C[C@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820766218 606417816 /nfs/dbraw/zinc/41/78/16/606417816.db2.gz ANJZXLKVSXVNNR-UWVGGRQHSA-N -1 1 295.350 1.902 20 0 CDADMM C[C@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820766218 606417818 /nfs/dbraw/zinc/41/78/18/606417818.db2.gz ANJZXLKVSXVNNR-UWVGGRQHSA-N -1 1 295.350 1.902 20 0 CDADMM CC(C)[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820015931 606569189 /nfs/dbraw/zinc/56/91/89/606569189.db2.gz IGZRSHVDXUMEPR-MRVPVSSYSA-N -1 1 279.369 1.950 20 0 CDADMM CC(C)[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820015931 606569190 /nfs/dbraw/zinc/56/91/90/606569190.db2.gz IGZRSHVDXUMEPR-MRVPVSSYSA-N -1 1 279.369 1.950 20 0 CDADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)C1CCC1 ZINC000821573378 606574158 /nfs/dbraw/zinc/57/41/58/606574158.db2.gz NZCLHZMYACJHEB-UHFFFAOYSA-N -1 1 263.326 1.553 20 0 CDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)C1CCC1 ZINC000821573378 606574160 /nfs/dbraw/zinc/57/41/60/606574160.db2.gz NZCLHZMYACJHEB-UHFFFAOYSA-N -1 1 263.326 1.553 20 0 CDADMM O=C(CCC1CCC1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822950288 606653632 /nfs/dbraw/zinc/65/36/32/606653632.db2.gz IPERMGGUYCXZCD-UHFFFAOYSA-N -1 1 287.323 1.885 20 0 CDADMM O=C(CCC1CCC1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822950288 606653633 /nfs/dbraw/zinc/65/36/33/606653633.db2.gz IPERMGGUYCXZCD-UHFFFAOYSA-N -1 1 287.323 1.885 20 0 CDADMM c1cn(CCOc2ccccc2)c(-c2nnn[n-]2)n1 ZINC000823791625 606655346 /nfs/dbraw/zinc/65/53/46/606655346.db2.gz GDCFJIJGJVYEJC-UHFFFAOYSA-N -1 1 256.269 1.142 20 0 CDADMM c1cn(CCOc2ccccc2)c(-c2nn[n-]n2)n1 ZINC000823791625 606655347 /nfs/dbraw/zinc/65/53/47/606655347.db2.gz GDCFJIJGJVYEJC-UHFFFAOYSA-N -1 1 256.269 1.142 20 0 CDADMM CC[C@H](C)Cn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC000820869027 606702884 /nfs/dbraw/zinc/70/28/84/606702884.db2.gz DUEXAYMXAITNNA-ZETCQYMHSA-N -1 1 262.317 1.086 20 0 CDADMM CC(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000820045569 606725793 /nfs/dbraw/zinc/72/57/93/606725793.db2.gz NQXNUSJPTJKHIM-VIFPVBQESA-N -1 1 259.317 1.139 20 0 CDADMM CC(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000820045569 606725792 /nfs/dbraw/zinc/72/57/92/606725792.db2.gz NQXNUSJPTJKHIM-VIFPVBQESA-N -1 1 259.317 1.139 20 0 CDADMM CC[C@H](C)CSc1nccnc1-c1nn[n-]n1 ZINC000820869233 606799327 /nfs/dbraw/zinc/79/93/27/606799327.db2.gz FFRMXNSQTSGNBG-ZETCQYMHSA-N -1 1 250.331 1.795 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1C/C(Cl)=C\Cl ZINC000823656308 606838813 /nfs/dbraw/zinc/83/88/13/606838813.db2.gz BJZMTJNWSDRIIE-GQCTYLIASA-N -1 1 272.095 1.347 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC2(CC(F)C2)C1 ZINC000826472358 607807250 /nfs/dbraw/zinc/80/72/50/607807250.db2.gz IDXRCTPHIULLBM-UHFFFAOYSA-N -1 1 293.327 1.502 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC2(CC(F)C2)C1 ZINC000826472358 607807251 /nfs/dbraw/zinc/80/72/51/607807251.db2.gz IDXRCTPHIULLBM-UHFFFAOYSA-N -1 1 293.327 1.502 20 0 CDADMM C[C@@H](N(C)c1cccc(-c2nnn[n-]2)n1)C1(C)CC1 ZINC000824466777 607901456 /nfs/dbraw/zinc/90/14/56/607901456.db2.gz YTMZXIFGOGWGEZ-SECBINFHSA-N -1 1 258.329 1.887 20 0 CDADMM C[C@@H](N(C)c1cccc(-c2nn[n-]n2)n1)C1(C)CC1 ZINC000824466777 607901457 /nfs/dbraw/zinc/90/14/57/607901457.db2.gz YTMZXIFGOGWGEZ-SECBINFHSA-N -1 1 258.329 1.887 20 0 CDADMM Cn1nccc1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000826366519 608174142 /nfs/dbraw/zinc/17/41/42/608174142.db2.gz MBEXGNHYIRIKMP-UHFFFAOYSA-N -1 1 296.747 1.322 20 0 CDADMM Cn1nccc1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000826366519 608174144 /nfs/dbraw/zinc/17/41/44/608174144.db2.gz MBEXGNHYIRIKMP-UHFFFAOYSA-N -1 1 296.747 1.322 20 0 CDADMM Cc1cccnc1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826308230 608255023 /nfs/dbraw/zinc/25/50/23/608255023.db2.gz PJNQGZKJEWDQPB-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1cccnc1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826308230 608255026 /nfs/dbraw/zinc/25/50/26/608255026.db2.gz PJNQGZKJEWDQPB-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM C[C@H]1CCCC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824938175 608387972 /nfs/dbraw/zinc/38/79/72/608387972.db2.gz UFMUZDXCAUKRHG-IUCAKERBSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@H]1CCCC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824938175 608387974 /nfs/dbraw/zinc/38/79/74/608387974.db2.gz UFMUZDXCAUKRHG-IUCAKERBSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC000824650276 608417517 /nfs/dbraw/zinc/41/75/17/608417517.db2.gz QLORYYGRNQICKA-MRVPVSSYSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC000824650276 608417518 /nfs/dbraw/zinc/41/75/18/608417518.db2.gz QLORYYGRNQICKA-MRVPVSSYSA-N -1 1 259.317 1.647 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N(C)CCc1ccncc1 ZINC000826280224 608544034 /nfs/dbraw/zinc/54/40/34/608544034.db2.gz SNHZFWNCLZTMLB-UHFFFAOYSA-N -1 1 295.350 1.644 20 0 CDADMM C[C@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000824901232 608802233 /nfs/dbraw/zinc/80/22/33/608802233.db2.gz YCVKSQPNLJDDKR-DTWKUNHWSA-N -1 1 260.301 1.241 20 0 CDADMM C[C@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000824901232 608802234 /nfs/dbraw/zinc/80/22/34/608802234.db2.gz YCVKSQPNLJDDKR-DTWKUNHWSA-N -1 1 260.301 1.241 20 0 CDADMM c1cn(Cc2nc(C3CCCC3)no2)c(-c2nnn[n-]2)n1 ZINC000826524776 608893629 /nfs/dbraw/zinc/89/36/29/608893629.db2.gz JUOADZVJFOAUAD-UHFFFAOYSA-N -1 1 286.299 1.152 20 0 CDADMM c1cn(Cc2nc(C3CCCC3)no2)c(-c2nn[n-]n2)n1 ZINC000826524776 608893630 /nfs/dbraw/zinc/89/36/30/608893630.db2.gz JUOADZVJFOAUAD-UHFFFAOYSA-N -1 1 286.299 1.152 20 0 CDADMM COc1ncc(Cn2ccnc2-c2nnn[n-]2)cc1Cl ZINC000826222210 608894273 /nfs/dbraw/zinc/89/42/73/608894273.db2.gz NZVWRPXOXYZREL-UHFFFAOYSA-N -1 1 291.702 1.169 20 0 CDADMM COc1ncc(Cn2ccnc2-c2nn[n-]n2)cc1Cl ZINC000826222210 608894275 /nfs/dbraw/zinc/89/42/75/608894275.db2.gz NZVWRPXOXYZREL-UHFFFAOYSA-N -1 1 291.702 1.169 20 0 CDADMM O=C(O[C@@H]1C=CCC1)c1sccc1-c1nn[n-]n1 ZINC000826461773 609159361 /nfs/dbraw/zinc/15/93/61/609159361.db2.gz GOHCVKYDTYRBGG-SSDOTTSWSA-N -1 1 262.294 1.804 20 0 CDADMM OCc1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826510219 609176572 /nfs/dbraw/zinc/17/65/72/609176572.db2.gz FBFWYKPMKOOULE-UHFFFAOYSA-N -1 1 282.307 1.366 20 0 CDADMM OCc1cccc(NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826510219 609176573 /nfs/dbraw/zinc/17/65/73/609176573.db2.gz FBFWYKPMKOOULE-UHFFFAOYSA-N -1 1 282.307 1.366 20 0 CDADMM C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)C[C@H](C)O1 ZINC000820761842 609260707 /nfs/dbraw/zinc/26/07/07/609260707.db2.gz ZTWDHDMJDCBCJW-DTORHVGOSA-N -1 1 263.301 1.069 20 0 CDADMM C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)C[C@H](C)O1 ZINC000820761842 609260708 /nfs/dbraw/zinc/26/07/08/609260708.db2.gz ZTWDHDMJDCBCJW-DTORHVGOSA-N -1 1 263.301 1.069 20 0 CDADMM Cc1nnc(NCc2ccc(-c3nn[n-]n3)s2)o1 ZINC000826336811 609264817 /nfs/dbraw/zinc/26/48/17/609264817.db2.gz OPBDLKKVWFOHRY-UHFFFAOYSA-N -1 1 263.286 1.232 20 0 CDADMM c1cc(CS[C@@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC000826516700 609527252 /nfs/dbraw/zinc/52/72/52/609527252.db2.gz WVBJQQPUAKZQMJ-SNVBAGLBSA-N -1 1 277.353 1.674 20 0 CDADMM c1cc(CS[C@@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC000826516700 609527253 /nfs/dbraw/zinc/52/72/53/609527253.db2.gz WVBJQQPUAKZQMJ-SNVBAGLBSA-N -1 1 277.353 1.674 20 0 CDADMM C[C@@H]1C[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC000824886173 609596087 /nfs/dbraw/zinc/59/60/87/609596087.db2.gz WIBGJUMTHWMTRC-ZJUUUORDSA-N -1 1 289.343 1.274 20 0 CDADMM C[C@@H]1C[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC000824886173 609596088 /nfs/dbraw/zinc/59/60/88/609596088.db2.gz WIBGJUMTHWMTRC-ZJUUUORDSA-N -1 1 289.343 1.274 20 0 CDADMM CCC[C@H](NC(=O)c1c([O-])cccc1Cl)C(N)=O ZINC000804808663 617334901 /nfs/dbraw/zinc/33/49/01/617334901.db2.gz UWIMYRVXPVDCQG-QMMMGPOBSA-N -1 1 270.716 1.429 20 0 CDADMM Cn1[n-]cc2c(=NC(=O)CCCC3CC3)ccnc1-2 ZINC000813235511 617358617 /nfs/dbraw/zinc/35/86/17/617358617.db2.gz OGJDTUWFTAMURM-UHFFFAOYSA-N -1 1 258.325 1.861 20 0 CDADMM C[N@@H+](CCCC(=O)[O-])Cc1nc(=O)c2sccc2[n-]1 ZINC000042716783 617371106 /nfs/dbraw/zinc/37/11/06/617371106.db2.gz HXDYMAMXBCIZIK-UHFFFAOYSA-N -1 1 281.337 1.694 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000891615407 617503074 /nfs/dbraw/zinc/50/30/74/617503074.db2.gz QVANGUUDQYDMDJ-UISBYWKRSA-N -1 1 289.335 1.567 20 0 CDADMM C[C@H]1C[C@H](C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CO1 ZINC000891616969 617505987 /nfs/dbraw/zinc/50/59/87/617505987.db2.gz CNBLXESTGOVBBD-IUCAKERBSA-N -1 1 277.324 1.425 20 0 CDADMM CCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000981207189 614917025 /nfs/dbraw/zinc/91/70/25/614917025.db2.gz GNTMXSKSTVCYPV-WDEREUQCSA-N -1 1 291.351 1.212 20 0 CDADMM COCc1nc(NC[C@H](O)CC(C)(C)C)cc(=O)[n-]1 ZINC000892580684 617518006 /nfs/dbraw/zinc/51/80/06/617518006.db2.gz NJDZFFTWXISOPW-SECBINFHSA-N -1 1 269.345 1.538 20 0 CDADMM COCc1nc(N[C@@H]2CSC[C@H]2C)cc(=O)[n-]1 ZINC000893824749 618076156 /nfs/dbraw/zinc/07/61/56/618076156.db2.gz AKFCFBKBGJFOKU-HTQZYQBOSA-N -1 1 255.343 1.492 20 0 CDADMM COCc1nc(N(C)[C@H]2CC[C@H](O)CC2)cc(=O)[n-]1 ZINC000893391931 617784132 /nfs/dbraw/zinc/78/41/32/617784132.db2.gz UVTUNSBRJFNLHS-MGCOHNPYSA-N -1 1 267.329 1.068 20 0 CDADMM O=S(=O)([N-]CCOC1CCC1)c1ccc(F)nc1F ZINC000866888902 617804385 /nfs/dbraw/zinc/80/43/85/617804385.db2.gz PBPDBCKFUFXULH-UHFFFAOYSA-N -1 1 292.307 1.207 20 0 CDADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@@H]1CO ZINC000889147202 617810842 /nfs/dbraw/zinc/81/08/42/617810842.db2.gz GUWKIKXVNRYCRM-MRVPVSSYSA-N -1 1 275.226 1.618 20 0 CDADMM Cc1ccsc1CCCC(=O)N(C)c1nn[n-]n1 ZINC000892954331 617975245 /nfs/dbraw/zinc/97/52/45/617975245.db2.gz IJROTMLSXJJQNJ-UHFFFAOYSA-N -1 1 265.342 1.555 20 0 CDADMM CCCCS(=O)(=O)CC(=O)Nc1ccc(F)cc1[O-] ZINC000935098913 618012120 /nfs/dbraw/zinc/01/21/20/618012120.db2.gz FEGPQXYSZNFTES-UHFFFAOYSA-N -1 1 289.328 1.685 20 0 CDADMM COCc1nc(NC[C@@H](CO)C2CCCCC2)cc(=O)[n-]1 ZINC000893987058 618237925 /nfs/dbraw/zinc/23/79/25/618237925.db2.gz YQARITFOVIWSRI-LBPRGKRZSA-N -1 1 295.383 1.929 20 0 CDADMM COCc1nc(NCCc2scnc2C)cc(=O)[n-]1 ZINC000894048421 618298171 /nfs/dbraw/zinc/29/81/71/618298171.db2.gz VSBRRYHTGVUOEU-UHFFFAOYSA-N -1 1 280.353 1.748 20 0 CDADMM C[C@@H]1CN(Cc2ccc3[nH]ccc3c2)C[C@H](C(=O)[O-])O1 ZINC000901910589 618365283 /nfs/dbraw/zinc/36/52/83/618365283.db2.gz GWCGNJGKZLXMNK-QMTHXVAHSA-N -1 1 274.320 1.842 20 0 CDADMM COCc1nc(N2CC[C@H](O)CC(C)(C)C2)cc(=O)[n-]1 ZINC000894102223 618411596 /nfs/dbraw/zinc/41/15/96/618411596.db2.gz LQZQKLBNGORRCT-JTQLQIEISA-N -1 1 281.356 1.316 20 0 CDADMM CC(C)[N@@H+](CCC(=O)[O-])Cc1cnnn1-c1ccccc1 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/nfs/dbraw/zinc/76/38/40/1163763840.db2.gz YZHDHPRMJFRGFR-UHFFFAOYSA-N -1 1 291.212 1.277 20 0 CDADMM Cc1nc(NCC(F)(F)C(F)F)cc(-c2nn[n-]n2)n1 ZINC001606068555 1163763844 /nfs/dbraw/zinc/76/38/44/1163763844.db2.gz YZHDHPRMJFRGFR-UHFFFAOYSA-N -1 1 291.212 1.277 20 0 CDADMM Cc1nn(CCC(C)(C)C)c(=O)c(-c2nn[n-]n2)c1C ZINC001606114367 1163776609 /nfs/dbraw/zinc/77/66/09/1163776609.db2.gz LJVRLGSCPTUYLT-UHFFFAOYSA-N -1 1 276.344 1.476 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc(-c2nccn2C)no1 ZINC001606165326 1163794002 /nfs/dbraw/zinc/79/40/02/1163794002.db2.gz RHRFUDPFZUPVOB-UHFFFAOYSA-N -1 1 298.266 1.219 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc(-c2nccn2C)no1 ZINC001606165326 1163794009 /nfs/dbraw/zinc/79/40/09/1163794009.db2.gz RHRFUDPFZUPVOB-UHFFFAOYSA-N -1 1 298.266 1.219 20 0 CDADMM O=C(C=Cc1ccc[nH]1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001606482129 1163913375 /nfs/dbraw/zinc/91/33/75/1163913375.db2.gz OACQJKZVLQAFSK-ONEGZZNKSA-N -1 1 296.290 1.346 20 0 CDADMM O=C(C=Cc1ccc[nH]1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001606482129 1163913382 /nfs/dbraw/zinc/91/33/82/1163913382.db2.gz OACQJKZVLQAFSK-ONEGZZNKSA-N -1 1 296.290 1.346 20 0 CDADMM COC(=O)c1coc([C@H](C)N2C[C@@H](C)[C@H](C(=O)[O-])C2)n1 ZINC001606630824 1163940064 /nfs/dbraw/zinc/94/00/64/1163940064.db2.gz LKUFEXLGVRMEPH-HRDYMLBCSA-N -1 1 282.296 1.175 20 0 CDADMM COCCN(Cc1cc(C(=O)[O-])cs1)[C@H]1CCOC1 ZINC001606889867 1164025289 /nfs/dbraw/zinc/02/52/89/1164025289.db2.gz IOVKBXFWCPTRHS-NSHDSACASA-N -1 1 285.365 1.684 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cc2c(o1)CCCC2 ZINC001606893541 1164025413 /nfs/dbraw/zinc/02/54/13/1164025413.db2.gz SSQHARSPOLSBFW-UHFFFAOYSA-N -1 1 299.294 1.314 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc2c(o1)CCCC2 ZINC001606893541 1164025421 /nfs/dbraw/zinc/02/54/21/1164025421.db2.gz SSQHARSPOLSBFW-UHFFFAOYSA-N -1 1 299.294 1.314 20 0 CDADMM O=C(Nc1cccc2ocnc21)c1coc(-c2nnn[n-]2)c1 ZINC001606938464 1164033590 /nfs/dbraw/zinc/03/35/90/1164033590.db2.gz WJSKDXNUIAJCKR-UHFFFAOYSA-N -1 1 296.246 1.853 20 0 CDADMM O=C(Nc1cccc2ocnc21)c1coc(-c2nn[n-]n2)c1 ZINC001606938464 1164033595 /nfs/dbraw/zinc/03/35/95/1164033595.db2.gz WJSKDXNUIAJCKR-UHFFFAOYSA-N -1 1 296.246 1.853 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC12CCCC2 ZINC001607025966 1164062756 /nfs/dbraw/zinc/06/27/56/1164062756.db2.gz REQPZCXCKPXGOE-UHFFFAOYSA-N -1 1 284.323 1.420 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC12CCCC2 ZINC001607025966 1164062761 /nfs/dbraw/zinc/06/27/61/1164062761.db2.gz REQPZCXCKPXGOE-UHFFFAOYSA-N -1 1 284.323 1.420 20 0 CDADMM c1coc(CCCNc2cccc(-c3nnn[n-]3)n2)c1 ZINC001607120538 1164103451 /nfs/dbraw/zinc/10/34/51/1164103451.db2.gz AWDVBXPFDMBGON-UHFFFAOYSA-N -1 1 270.296 1.899 20 0 CDADMM c1coc(CCCNc2cccc(-c3nn[n-]n3)n2)c1 ZINC001607120538 1164103453 /nfs/dbraw/zinc/10/34/53/1164103453.db2.gz AWDVBXPFDMBGON-UHFFFAOYSA-N -1 1 270.296 1.899 20 0 CDADMM c1cc2c(s1)CN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001607123719 1164106626 /nfs/dbraw/zinc/10/66/26/1164106626.db2.gz VHJHJCBGJZXKLD-UHFFFAOYSA-N -1 1 285.336 1.281 20 0 CDADMM c1cc2c(s1)CN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001607123719 1164106629 /nfs/dbraw/zinc/10/66/29/1164106629.db2.gz VHJHJCBGJZXKLD-UHFFFAOYSA-N -1 1 285.336 1.281 20 0 CDADMM c1ccc([C@H]2C[C@H]2Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001607129924 1164111433 /nfs/dbraw/zinc/11/14/33/1164111433.db2.gz WZAVNBGHLJXUTP-GHMZBOCLSA-N -1 1 279.307 1.047 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCCc2ccncc2)c1 ZINC001607134336 1164114249 /nfs/dbraw/zinc/11/42/49/1164114249.db2.gz YRSLISVIEXHWDN-UHFFFAOYSA-N -1 1 267.296 1.311 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCCc2ccncc2)c1 ZINC001607134336 1164114254 /nfs/dbraw/zinc/11/42/54/1164114254.db2.gz YRSLISVIEXHWDN-UHFFFAOYSA-N -1 1 267.296 1.311 20 0 CDADMM C[C@@H](CF)NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001607420139 1164174895 /nfs/dbraw/zinc/17/48/95/1164174895.db2.gz ZTDTXCUPQSVFRS-YFKPBYRVSA-N -1 1 297.254 1.299 20 0 CDADMM C[C@@H]1CN(C(=O)NCC2(CC(=O)[O-])CCCC2)CCN1 ZINC001607433145 1164178627 /nfs/dbraw/zinc/17/86/27/1164178627.db2.gz RMGHTBWREPCWSA-LLVKDONJSA-N -1 1 283.372 1.025 20 0 CDADMM O=C(Nn1cnc2ccccc21)c1cnc(C2CC2)[n-]c1=O ZINC001136104516 1164188433 /nfs/dbraw/zinc/18/84/33/1164188433.db2.gz HJEYNTVUUKVUDB-UHFFFAOYSA-N -1 1 295.302 1.793 20 0 CDADMM Cc1[nH]c(C(=O)Nc2cccc3[nH]nnc32)c(C)c1C(=O)[O-] ZINC001607492290 1164204376 /nfs/dbraw/zinc/20/43/76/1164204376.db2.gz NZYBFFVPGHZCTB-UHFFFAOYSA-N -1 1 299.290 1.853 20 0 CDADMM Cc1c(C(=O)N[C@H](CC(=O)[O-])C2CC2)ccc2cncn21 ZINC001607505981 1164212015 /nfs/dbraw/zinc/21/20/15/1164212015.db2.gz CIZXUGQTJDQAPA-CYBMUJFWSA-N -1 1 287.319 1.626 20 0 CDADMM Cc1cc([C@@H](C)N[C@H]2CCN(CCC(=O)[O-])C2=O)c(C)o1 ZINC001607609449 1164241276 /nfs/dbraw/zinc/24/12/76/1164241276.db2.gz JSXNZEGXSRLMKK-MFKMUULPSA-N -1 1 294.351 1.623 20 0 CDADMM Cc1cccc(CNC(=O)CN[C@](C)(CCF)C(=O)[O-])c1 ZINC001607852547 1164312134 /nfs/dbraw/zinc/31/21/34/1164312134.db2.gz MZIBLNDOGQECAX-OAHLLOKOSA-N -1 1 296.342 1.404 20 0 CDADMM Cc1ccsc1C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001607899348 1164327263 /nfs/dbraw/zinc/32/72/63/1164327263.db2.gz OQSOEXMGPUTUQW-JTQLQIEISA-N -1 1 282.365 1.145 20 0 CDADMM Cc1nnc(CN[C@@](C)(CCF)C(=O)[O-])n1C1CC1 ZINC001608016813 1164377825 /nfs/dbraw/zinc/37/78/25/1164377825.db2.gz XCJRZNWIHMBWMP-LBPRGKRZSA-N -1 1 270.308 1.214 20 0 CDADMM Cc1noc(CN(C)C[C@@H]2CCCC[C@@H]2C(=O)[O-])n1 ZINC001608027870 1164382962 /nfs/dbraw/zinc/38/29/62/1164382962.db2.gz LPOPIEIDJXNGAO-QWRGUYRKSA-N -1 1 267.329 1.701 20 0 CDADMM O=C([O-])[C@H]1C[C@H](O)CN(Cc2cc(Cl)cs2)C1 ZINC001608600816 1164568349 /nfs/dbraw/zinc/56/83/49/1164568349.db2.gz FVCJXQGXKFPXAW-CBAPKCEASA-N -1 1 275.757 1.669 20 0 CDADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1ccoc1)C[C@H]2C(=O)[O-] ZINC001608611382 1164572131 /nfs/dbraw/zinc/57/21/31/1164572131.db2.gz QVVZQKYPVYFOFM-CVZZAPKMSA-N -1 1 279.292 1.277 20 0 CDADMM O=C([O-])Cn1cc(CNC2(Cc3ccccc3)CC2)nn1 ZINC001608797435 1164640763 /nfs/dbraw/zinc/64/07/63/1164640763.db2.gz GIKMISISWWLWMH-UHFFFAOYSA-N -1 1 286.335 1.228 20 0 CDADMM O=C([O-])[C@@H]1CN(CN2CCOC2=O)C[C@H]1c1ccccc1 ZINC001608809000 1164643597 /nfs/dbraw/zinc/64/35/97/1164643597.db2.gz SUOUVMNERKKUFS-QWHCGFSZSA-N -1 1 290.319 1.196 20 0 CDADMM O=C([O-])c1cc(-n2cc([C@@H]3CCCCN3)nn2)ccn1 ZINC001608832701 1164655447 /nfs/dbraw/zinc/65/54/47/1164655447.db2.gz AVHJZTARWKFXSI-JTQLQIEISA-N -1 1 273.296 1.175 20 0 CDADMM O=C([O-])c1ccc2c(c1)N(C(=O)CN1CCCC1)CCC2 ZINC001608923967 1164683891 /nfs/dbraw/zinc/68/38/91/1164683891.db2.gz CCQSLINXZNUASL-UHFFFAOYSA-N -1 1 288.347 1.760 20 0 CDADMM O=C([O-])c1coc(CNCc2ccc3nonc3c2)c1 ZINC001608989461 1164712037 /nfs/dbraw/zinc/71/20/37/1164712037.db2.gz MXUABVBZMAIYTR-UHFFFAOYSA-N -1 1 273.248 1.804 20 0 CDADMM CC(C)(C)COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609075783 1164757219 /nfs/dbraw/zinc/75/72/19/1164757219.db2.gz IDNVBBYTHDHYTB-UHFFFAOYSA-N -1 1 261.285 1.465 20 0 CDADMM CC(C)(C)COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609075783 1164757225 /nfs/dbraw/zinc/75/72/25/1164757225.db2.gz IDNVBBYTHDHYTB-UHFFFAOYSA-N -1 1 261.285 1.465 20 0 CDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)CC(F)F ZINC001609113676 1164776347 /nfs/dbraw/zinc/77/63/47/1164776347.db2.gz BYWMDPBHIBSXSI-LURJTMIESA-N -1 1 269.259 1.360 20 0 CDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)CC(F)F ZINC001609113676 1164776353 /nfs/dbraw/zinc/77/63/53/1164776353.db2.gz BYWMDPBHIBSXSI-LURJTMIESA-N -1 1 269.259 1.360 20 0 CDADMM C[C@@H](CNc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001609113631 1164776900 /nfs/dbraw/zinc/77/69/00/1164776900.db2.gz AEERNGNOSBAZGA-NSHDSACASA-N -1 1 280.335 1.899 20 0 CDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001609113631 1164776909 /nfs/dbraw/zinc/77/69/09/1164776909.db2.gz AEERNGNOSBAZGA-NSHDSACASA-N -1 1 280.335 1.899 20 0 CDADMM CC1(C)CC[C@@H]1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609144970 1164793085 /nfs/dbraw/zinc/79/30/85/1164793085.db2.gz UXYCXFZUVAGFKD-JTQLQIEISA-N -1 1 289.314 1.924 20 0 CDADMM CC1(C)CC[C@@H]1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609144970 1164793090 /nfs/dbraw/zinc/79/30/90/1164793090.db2.gz UXYCXFZUVAGFKD-JTQLQIEISA-N -1 1 289.314 1.924 20 0 CDADMM C[C@H]1[C@@H](C(F)(F)F)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001609152681 1164798370 /nfs/dbraw/zinc/79/83/70/1164798370.db2.gz IUDPNKMYHPLPMD-BQBZGAKWSA-N -1 1 299.260 1.434 20 0 CDADMM C[C@H]1[C@@H](C(F)(F)F)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001609152681 1164798377 /nfs/dbraw/zinc/79/83/77/1164798377.db2.gz IUDPNKMYHPLPMD-BQBZGAKWSA-N -1 1 299.260 1.434 20 0 CDADMM C[C@H]1CC[C@H](C)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001609160764 1164805493 /nfs/dbraw/zinc/80/54/93/1164805493.db2.gz LUSQHTFUBAHBBW-IUCAKERBSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@H]1CC[C@H](C)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001609160764 1164805501 /nfs/dbraw/zinc/80/55/01/1164805501.db2.gz LUSQHTFUBAHBBW-IUCAKERBSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@H]1C[C@H]1COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609159901 1164806307 /nfs/dbraw/zinc/80/63/07/1164806307.db2.gz WVFXJAIEOPLPEW-YUMQZZPRSA-N -1 1 259.269 1.075 20 0 CDADMM C[C@H]1C[C@H]1COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609159901 1164806314 /nfs/dbraw/zinc/80/63/14/1164806314.db2.gz WVFXJAIEOPLPEW-YUMQZZPRSA-N -1 1 259.269 1.075 20 0 CDADMM CC[C@H]1[C@H](C)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001609199405 1164840206 /nfs/dbraw/zinc/84/02/06/1164840206.db2.gz WAARWZVFELHVDB-SCZZXKLOSA-N -1 1 259.317 1.282 20 0 CDADMM CCSCC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609248823 1164864847 /nfs/dbraw/zinc/86/48/47/1164864847.db2.gz WRRWKLGQNGPVTM-MRVPVSSYSA-N -1 1 295.368 1.721 20 0 CDADMM CO[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609332900 1164903385 /nfs/dbraw/zinc/90/33/85/1164903385.db2.gz VONHDYXYWQLJEP-IUCAKERBSA-N -1 1 291.311 1.147 20 0 CDADMM CO[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609332900 1164903387 /nfs/dbraw/zinc/90/33/87/1164903387.db2.gz VONHDYXYWQLJEP-IUCAKERBSA-N -1 1 291.311 1.147 20 0 CDADMM CS[C@H]1CCCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001609369675 1164910572 /nfs/dbraw/zinc/91/05/72/1164910572.db2.gz IQYBONITCYLURZ-NSHDSACASA-N -1 1 290.396 1.984 20 0 CDADMM CS[C@H]1CCCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001609369675 1164910576 /nfs/dbraw/zinc/91/05/76/1164910576.db2.gz IQYBONITCYLURZ-NSHDSACASA-N -1 1 290.396 1.984 20 0 CDADMM Cc1cc(NC[C@H]2CCSC2)cc(-c2nnn[n-]2)n1 ZINC001609409656 1164934865 /nfs/dbraw/zinc/93/48/65/1164934865.db2.gz SDMDLIHGKDZMJJ-SECBINFHSA-N -1 1 276.369 1.735 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@@H](C)C[C@H]1C ZINC001609466646 1164961407 /nfs/dbraw/zinc/96/14/07/1164961407.db2.gz FAILQQULAKMGPS-JGVFFNPUSA-N -1 1 275.312 1.639 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@@H](C)C[C@H]1C ZINC001609466646 1164961411 /nfs/dbraw/zinc/96/14/11/1164961411.db2.gz FAILQQULAKMGPS-JGVFFNPUSA-N -1 1 275.312 1.639 20 0 CDADMM Cc1occc1[S@](=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC001609470654 1164964640 /nfs/dbraw/zinc/96/46/40/1164964640.db2.gz HLXGMGFHRIGJOI-HXUWFJFHSA-N -1 1 289.320 1.471 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1ccc[nH]1 ZINC001609467586 1164965560 /nfs/dbraw/zinc/96/55/60/1164965560.db2.gz MDLVNCFITARNKR-UHFFFAOYSA-N -1 1 272.268 1.026 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1ccc[nH]1 ZINC001609467586 1164965566 /nfs/dbraw/zinc/96/55/66/1164965566.db2.gz MDLVNCFITARNKR-UHFFFAOYSA-N -1 1 272.268 1.026 20 0 CDADMM c1ccc2c(c1)CC[C@@H]2CNc1cc(-c2nnn[n-]2)ncn1 ZINC001609617749 1165011105 /nfs/dbraw/zinc/01/11/05/1165011105.db2.gz BPAGVDGSPQRXQG-LLVKDONJSA-N -1 1 293.334 1.799 20 0 CDADMM c1ccc2c(c1)CC[C@@H]2CNc1cc(-c2nn[n-]n2)ncn1 ZINC001609617749 1165011111 /nfs/dbraw/zinc/01/11/11/1165011111.db2.gz BPAGVDGSPQRXQG-LLVKDONJSA-N -1 1 293.334 1.799 20 0 CDADMM c1sc(CS[C@@H]2CCOC2)nc1-c1nnn[n-]1 ZINC001609620663 1165016610 /nfs/dbraw/zinc/01/66/10/1165016610.db2.gz SROKJTJFDKEVMV-ZCFIWIBFSA-N -1 1 269.355 1.345 20 0 CDADMM c1sc(CS[C@@H]2CCOC2)nc1-c1nn[n-]n1 ZINC001609620663 1165016616 /nfs/dbraw/zinc/01/66/16/1165016616.db2.gz SROKJTJFDKEVMV-ZCFIWIBFSA-N -1 1 269.355 1.345 20 0 CDADMM c1nc(NCC(C2CC2)C2CC2)cc(-c2nnn[n-]2)n1 ZINC001609621192 1165017590 /nfs/dbraw/zinc/01/75/90/1165017590.db2.gz UKTPCGMVROSXBV-UHFFFAOYSA-N -1 1 271.328 1.505 20 0 CDADMM c1nc(NCC(C2CC2)C2CC2)cc(-c2nn[n-]n2)n1 ZINC001609621192 1165017594 /nfs/dbraw/zinc/01/75/94/1165017594.db2.gz UKTPCGMVROSXBV-UHFFFAOYSA-N -1 1 271.328 1.505 20 0 CDADMM CC(=O)NC[C@H]1CCCN(Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC001609621422 1165017664 /nfs/dbraw/zinc/01/76/64/1165017664.db2.gz GHGKSQFHTSIBHP-GFCCVEGCSA-N -1 1 294.351 1.634 20 0 CDADMM C[C@@](NC[C@@H](O)C(F)(F)F)(C(=O)[O-])c1ccc(F)cc1 ZINC001609774261 1165074068 /nfs/dbraw/zinc/07/40/68/1165074068.db2.gz SOLAXXDUOZRSLV-KOLCDFICSA-N -1 1 295.232 1.638 20 0 CDADMM C[C@@](O)(CN1CC[C@H]1c1cccc(F)c1)C(=O)[O-] ZINC001609785418 1165080567 /nfs/dbraw/zinc/08/05/67/1165080567.db2.gz TZWHOMQMZKBNEF-WCQYABFASA-N -1 1 253.273 1.408 20 0 CDADMM C[C@@H](c1cnccn1)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001609810236 1165089225 /nfs/dbraw/zinc/08/92/25/1165089225.db2.gz VKVIJIHMLOPEQZ-JTQLQIEISA-N -1 1 290.323 1.233 20 0 CDADMM C[C@@H]1[C@@H](C)N(C(=O)Cc2ccc(C(=O)[O-])cc2)CCN1C ZINC001609836518 1165105010 /nfs/dbraw/zinc/10/50/10/1165105010.db2.gz MYUDOBSTLOYPFY-VXGBXAGGSA-N -1 1 290.363 1.478 20 0 CDADMM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1CC1OCCO1 ZINC001610736798 1165422580 /nfs/dbraw/zinc/42/25/80/1165422580.db2.gz ZVBUVSYKPJSQHS-QWHCGFSZSA-N -1 1 283.368 1.715 20 0 CDADMM O=C([O-])c1n[nH]c2c1CN(C[C@@H](O)c1ccccc1)CC2 ZINC001610871454 1165469176 /nfs/dbraw/zinc/46/91/76/1165469176.db2.gz TYMAICYSDKWVOQ-CYBMUJFWSA-N -1 1 287.319 1.200 20 0 CDADMM O=C(NCCn1cccn1)c1ncc2ccccc2c1[O-] ZINC001630960609 1166243992 /nfs/dbraw/zinc/24/39/92/1166243992.db2.gz XKHXQLFAGPDHIO-UHFFFAOYSA-N -1 1 282.303 1.567 20 0 CDADMM O=C(Cc1cnc[nH]1)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC001636211452 1166662510 /nfs/dbraw/zinc/66/25/10/1166662510.db2.gz PIZXYUQAABFRSY-UHFFFAOYSA-N -1 1 284.279 1.082 20 0 CDADMM O=C(Nc1cccc2[nH]nnc21)c1ccc2oc(=O)nc-2[n-]1 ZINC001637136256 1166728273 /nfs/dbraw/zinc/72/82/73/1166728273.db2.gz YXFFVSUPCNWCGX-UHFFFAOYSA-N -1 1 296.246 1.452 20 0 CDADMM CC[C@@H]1C[C@@H](CC(=O)Nc2c[n-][nH]c2=O)CCO1 ZINC001638735299 1166867478 /nfs/dbraw/zinc/86/74/78/1166867478.db2.gz BXCAUTXAQSLSOE-DTWKUNHWSA-N -1 1 253.302 1.649 20 0 CDADMM CC[C@H]1C[C@H](CC(=O)Nc2c[n-][nH]c2=O)CCO1 ZINC001638735298 1166867379 /nfs/dbraw/zinc/86/73/79/1166867379.db2.gz BXCAUTXAQSLSOE-BDAKNGLRSA-N -1 1 253.302 1.649 20 0 CDADMM O=C(Nc1ccncc1[O-])c1cc(-n2ccnn2)ccc1F ZINC001641254745 1167091704 /nfs/dbraw/zinc/09/17/04/1167091704.db2.gz FCKVVSVJEIMWCL-UHFFFAOYSA-N -1 1 299.265 1.181 20 0 CDADMM Cc1cncnc1NC(=O)c1nc2ccc(Cl)nc2[n-]1 ZINC001155177197 1167104057 /nfs/dbraw/zinc/10/40/57/1167104057.db2.gz OUJUYJFECGOKLO-UHFFFAOYSA-N -1 1 288.698 1.962 20 0 CDADMM C[C@@]1(NC(=O)c2[n-][nH]c3cc(=O)ccc2-3)CCCOC1 ZINC001155276232 1167114549 /nfs/dbraw/zinc/11/45/49/1167114549.db2.gz OAPBRCOQTGAVCW-CQSZACIVSA-N -1 1 275.308 1.567 20 0 CDADMM CC[C@H](Sc1ccccc1)C(=O)OCc1nn[n-]n1 ZINC001646883408 1168224989 /nfs/dbraw/zinc/22/49/89/1168224989.db2.gz MRLGXBYCQBQQJD-JTQLQIEISA-N -1 1 278.337 1.814 20 0 CDADMM CCO[C@@H](CC)C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001647075384 1168358626 /nfs/dbraw/zinc/35/86/26/1168358626.db2.gz OACFPUWYTKMBMK-ZDUSSCGKSA-N -1 1 282.292 1.639 20 0 CDADMM CCc1oc(CN[C@@H](COC)[C@H]2CCCO2)cc1C(=O)[O-] ZINC001650012930 1169605367 /nfs/dbraw/zinc/60/53/67/1169605367.db2.gz PGSTXOUFURKQSU-GXTWGEPZSA-N -1 1 297.351 1.824 20 0 CDADMM Cc1n[nH]cc1CN(C)C(=O)c1cc(F)ccc1[O-] ZINC001570611913 1170212417 /nfs/dbraw/zinc/21/24/17/1170212417.db2.gz MLXJGPQKRYRMOX-UHFFFAOYSA-N -1 1 263.272 1.835 20 0 CDADMM Cc1cc(=O)[n-]c(C[NH2+][C@](C)(CC(=O)[O-])C(C)C)n1 ZINC001574144359 1170895584 /nfs/dbraw/zinc/89/55/84/1170895584.db2.gz ONSSGPYJBILBEW-CYBMUJFWSA-N -1 1 267.329 1.470 20 0 CDADMM Cc1cc(CN2CCC[C@H](NC(=O)[O-])C2)cc(C)n1 ZINC001574133867 1170892979 /nfs/dbraw/zinc/89/29/79/1170892979.db2.gz FOQODONPLAHGJP-ZDUSSCGKSA-N -1 1 263.341 1.930 20 0 CDADMM Cc1noc(C2CC(NCc3cc(C(=O)[O-])no3)C2)n1 ZINC001574196694 1170915195 /nfs/dbraw/zinc/91/51/95/1170915195.db2.gz AYTRVKSLZVJIJW-UHFFFAOYSA-N -1 1 278.268 1.100 20 0 CDADMM O=C([O-])c1ncc(NC(=O)c2cccc(F)c2O)s1 ZINC001574423843 1170979968 /nfs/dbraw/zinc/97/99/68/1170979968.db2.gz YSDVRFQASGIACS-UHFFFAOYSA-N -1 1 282.252 1.938 20 0 CDADMM O=C(Cc1ccc2c(c1)CCCC2)OCc1nn[n-]n1 ZINC001650483816 1171117995 /nfs/dbraw/zinc/11/79/95/1171117995.db2.gz RYWRQERETBJYJY-UHFFFAOYSA-N -1 1 272.308 1.364 20 0 CDADMM [O-]c1ccc(CN2CCOC[C@@H]2c2cn[nH]n2)c(F)c1F ZINC001578051927 1171792052 /nfs/dbraw/zinc/79/20/52/1171792052.db2.gz WSGJXSNXTDXHEO-SNVBAGLBSA-N -1 1 296.277 1.362 20 0 CDADMM CC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccn1 ZINC001578477042 1171930032 /nfs/dbraw/zinc/93/00/32/1171930032.db2.gz IFVMMMGITWXRJL-VIFPVBQESA-N -1 1 282.311 1.615 20 0 CDADMM CC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccn1 ZINC001578477042 1171930037 /nfs/dbraw/zinc/93/00/37/1171930037.db2.gz IFVMMMGITWXRJL-VIFPVBQESA-N -1 1 282.311 1.615 20 0 CDADMM C[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1ccccn1 ZINC001580309153 1172399951 /nfs/dbraw/zinc/39/99/51/1172399951.db2.gz MVKHALINPHJMHW-MRVPVSSYSA-N -1 1 284.279 1.346 20 0 CDADMM C[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1ccccn1 ZINC001580309153 1172399956 /nfs/dbraw/zinc/39/99/56/1172399956.db2.gz MVKHALINPHJMHW-MRVPVSSYSA-N -1 1 284.279 1.346 20 0 CDADMM Cc1cnc(F)c(C(=O)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001581320288 1172603385 /nfs/dbraw/zinc/60/33/85/1172603385.db2.gz IIRDEYXDDMDAKD-UHFFFAOYSA-N -1 1 299.269 1.357 20 0 CDADMM Cc1cnc(F)c(C(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001581320288 1172603388 /nfs/dbraw/zinc/60/33/88/1172603388.db2.gz IIRDEYXDDMDAKD-UHFFFAOYSA-N -1 1 299.269 1.357 20 0 CDADMM Cc1conc1CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001581381458 1172608116 /nfs/dbraw/zinc/60/81/16/1172608116.db2.gz GYHKKTOVFCHNQW-UHFFFAOYSA-N -1 1 297.731 1.885 20 0 CDADMM FC(F)(F)c1coc(Cn2cc(-c3nn[n-]n3)nn2)c1 ZINC001581851352 1172622506 /nfs/dbraw/zinc/62/25/06/1172622506.db2.gz SIMFERNZIRVNHO-UHFFFAOYSA-N -1 1 285.189 1.118 20 0 CDADMM FCc1ccccc1COc1cnc(-c2nn[n-]n2)nc1 ZINC001581852202 1172624614 /nfs/dbraw/zinc/62/46/14/1172624614.db2.gz OPTVNSXDKOIKSE-UHFFFAOYSA-N -1 1 286.270 1.705 20 0 CDADMM O=C(Cc1ccco1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582156471 1172656821 /nfs/dbraw/zinc/65/68/21/1172656821.db2.gz DNTSGCLKTUPYPM-UHFFFAOYSA-N -1 1 270.252 1.036 20 0 CDADMM O=C(Cc1ccco1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582156471 1172656827 /nfs/dbraw/zinc/65/68/27/1172656827.db2.gz DNTSGCLKTUPYPM-UHFFFAOYSA-N -1 1 270.252 1.036 20 0 CDADMM O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)c1cccc(-c2nnn[n-]2)n1 ZINC001582583490 1172683656 /nfs/dbraw/zinc/68/36/56/1172683656.db2.gz WJJRPYYXBGACCQ-OUJBWJOFSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)c1cccc(-c2nn[n-]n2)n1 ZINC001582583490 1172683660 /nfs/dbraw/zinc/68/36/60/1172683660.db2.gz WJJRPYYXBGACCQ-OUJBWJOFSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(Nc1ccc(F)nc1F)c1ccc(-c2nn[n-]n2)o1 ZINC001582641494 1172686284 /nfs/dbraw/zinc/68/62/84/1172686284.db2.gz DVDJEIOFSPHTJR-UHFFFAOYSA-N -1 1 292.205 1.385 20 0 CDADMM O=C(OCc1cnsc1)c1ccc(-c2nn[n-]n2)o1 ZINC001582655312 1172687306 /nfs/dbraw/zinc/68/73/06/1172687306.db2.gz AFJFVDXYSUKYMP-UHFFFAOYSA-N -1 1 277.265 1.273 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1ccc(F)c(F)c1 ZINC001582806659 1172692416 /nfs/dbraw/zinc/69/24/16/1172692416.db2.gz TZYKCEABTJGSGI-UHFFFAOYSA-N -1 1 289.245 1.355 20 0 CDADMM Cc1onc(-c2ccccc2)c1C(=O)N(C)c1nn[n-]n1 ZINC001586262362 1172938651 /nfs/dbraw/zinc/93/86/51/1172938651.db2.gz ODBVSVLLJNTVCN-UHFFFAOYSA-N -1 1 284.279 1.440 20 0 CDADMM CC(C)(C)C1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001589104427 1173124091 /nfs/dbraw/zinc/12/40/91/1173124091.db2.gz CQUIDYJYHSNBRI-UHFFFAOYSA-N -1 1 286.339 1.380 20 0 CDADMM CC(C)(C)C1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001589104427 1173124093 /nfs/dbraw/zinc/12/40/93/1173124093.db2.gz CQUIDYJYHSNBRI-UHFFFAOYSA-N -1 1 286.339 1.380 20 0 CDADMM C[C@@H](CCc1ccco1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589836572 1173191053 /nfs/dbraw/zinc/19/10/53/1173191053.db2.gz QGOBBIMSCBSPQL-JTQLQIEISA-N -1 1 284.323 1.710 20 0 CDADMM C[C@@H](CCc1ccco1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589836572 1173191057 /nfs/dbraw/zinc/19/10/57/1173191057.db2.gz QGOBBIMSCBSPQL-JTQLQIEISA-N -1 1 284.323 1.710 20 0 CDADMM C[C@@H](CNC(=O)c1ccnc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001589867614 1173191937 /nfs/dbraw/zinc/19/19/37/1173191937.db2.gz FUKYQOJRANBDEC-VIFPVBQESA-N -1 1 288.355 1.674 20 0 CDADMM C[C@@H](CNC(=O)c1ccnc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001589867614 1173191941 /nfs/dbraw/zinc/19/19/41/1173191941.db2.gz FUKYQOJRANBDEC-VIFPVBQESA-N -1 1 288.355 1.674 20 0 CDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001589878015 1173193488 /nfs/dbraw/zinc/19/34/88/1173193488.db2.gz HLWSAYUSMYFOLG-SNVBAGLBSA-N -1 1 287.371 1.707 20 0 CDADMM C[C@H](CO)[C@H]1CCCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001589887363 1173195392 /nfs/dbraw/zinc/19/53/92/1173195392.db2.gz RJNBMSMYEGIJCT-ZWNOBZJWSA-N -1 1 288.355 1.249 20 0 CDADMM C[C@H](CO)[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001589887363 1173195397 /nfs/dbraw/zinc/19/53/97/1173195397.db2.gz RJNBMSMYEGIJCT-ZWNOBZJWSA-N -1 1 288.355 1.249 20 0 CDADMM C[C@@H](CO)SCc1ccc(-c2nn[n-]n2)s1 ZINC001589885351 1173196628 /nfs/dbraw/zinc/19/66/28/1173196628.db2.gz UZEQKZDJRQTQLB-LURJTMIESA-N -1 1 256.356 1.542 20 0 CDADMM C[C@@H](Cc1cccnc1)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589901533 1173197818 /nfs/dbraw/zinc/19/78/18/1173197818.db2.gz RAHNNKQVVSHBQE-VIFPVBQESA-N -1 1 298.306 1.216 20 0 CDADMM C[C@@H](Cc1cccnc1)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589901533 1173197822 /nfs/dbraw/zinc/19/78/22/1173197822.db2.gz RAHNNKQVVSHBQE-VIFPVBQESA-N -1 1 298.306 1.216 20 0 CDADMM C[C@@H](N(C)C(=O)c1coc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001589911949 1173204569 /nfs/dbraw/zinc/20/45/69/1173204569.db2.gz SDKIEUZPAGCILQ-MRVPVSSYSA-N -1 1 277.328 1.966 20 0 CDADMM C[C@@H](N(C)C(=O)c1coc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001589911949 1173204572 /nfs/dbraw/zinc/20/45/72/1173204572.db2.gz SDKIEUZPAGCILQ-MRVPVSSYSA-N -1 1 277.328 1.966 20 0 CDADMM CC1(C)C[C@]1(C)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590087795 1173250850 /nfs/dbraw/zinc/25/08/50/1173250850.db2.gz YNRPZXUMFVPFTI-ZDUSSCGKSA-N -1 1 287.327 1.572 20 0 CDADMM CC1(C)C[C@]1(C)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590087795 1173250854 /nfs/dbraw/zinc/25/08/54/1173250854.db2.gz YNRPZXUMFVPFTI-ZDUSSCGKSA-N -1 1 287.327 1.572 20 0 CDADMM CC1(C)CC[C@H]1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590093673 1173253601 /nfs/dbraw/zinc/25/36/01/1173253601.db2.gz UVDFALQPUNDDRA-ZETCQYMHSA-N -1 1 292.368 1.376 20 0 CDADMM CC1(C)CC[C@H]1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590093673 1173253603 /nfs/dbraw/zinc/25/36/03/1173253603.db2.gz UVDFALQPUNDDRA-ZETCQYMHSA-N -1 1 292.368 1.376 20 0 CDADMM CC1(C)CC[C@@H](COc2cccnc2-c2nnn[n-]2)OC1 ZINC001590090668 1173254057 /nfs/dbraw/zinc/25/40/57/1173254057.db2.gz NCKVREXFYGFCCG-JTQLQIEISA-N -1 1 289.339 1.846 20 0 CDADMM CC1(C)CC[C@@H](COc2cccnc2-c2nn[n-]n2)OC1 ZINC001590090668 1173254063 /nfs/dbraw/zinc/25/40/63/1173254063.db2.gz NCKVREXFYGFCCG-JTQLQIEISA-N -1 1 289.339 1.846 20 0 CDADMM CC1(C)CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001590097045 1173258093 /nfs/dbraw/zinc/25/80/93/1173258093.db2.gz SDJMCSIUQNFCPP-SECBINFHSA-N -1 1 273.344 1.317 20 0 CDADMM CC1(C)CN(c2cc(-c3nnn[n-]3)ncn2)[C@@H]2CCC[C@@H]21 ZINC001590105501 1173259065 /nfs/dbraw/zinc/25/90/65/1173259065.db2.gz CSUPXLDNYSEDSJ-GXSJLCMTSA-N -1 1 285.355 1.672 20 0 CDADMM CC1(C)CN(c2cc(-c3nn[n-]n3)ncn2)[C@@H]2CCC[C@@H]21 ZINC001590105501 1173259068 /nfs/dbraw/zinc/25/90/68/1173259068.db2.gz CSUPXLDNYSEDSJ-GXSJLCMTSA-N -1 1 285.355 1.672 20 0 CDADMM CC1(C)CN(c2ccnc(-c3nnn[n-]3)c2)[C@@H]2COC[C@@H]21 ZINC001590108035 1173260194 /nfs/dbraw/zinc/26/01/94/1173260194.db2.gz GFPBIAQVTLBSDD-CMPLNLGQSA-N -1 1 286.339 1.123 20 0 CDADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)c2)[C@@H]2COC[C@@H]21 ZINC001590108035 1173260197 /nfs/dbraw/zinc/26/01/97/1173260197.db2.gz GFPBIAQVTLBSDD-CMPLNLGQSA-N -1 1 286.339 1.123 20 0 CDADMM CC1=C[C@@H](C)CN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590158189 1173276938 /nfs/dbraw/zinc/27/69/38/1173276938.db2.gz WQBIDUISHYKORC-MRVPVSSYSA-N -1 1 257.301 1.059 20 0 CDADMM C[C@@H]1C[C@H](C)CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590187997 1173284105 /nfs/dbraw/zinc/28/41/05/1173284105.db2.gz PAGIZSYUAWKNIL-AOOOYVTPSA-N -1 1 286.339 1.380 20 0 CDADMM C[C@@H]1C[C@H](C)CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590187997 1173284107 /nfs/dbraw/zinc/28/41/07/1173284107.db2.gz PAGIZSYUAWKNIL-AOOOYVTPSA-N -1 1 286.339 1.380 20 0 CDADMM C[C@@H]1CC(OC(=O)c2coc(-c3nnn[n-]3)c2)C[C@@H](C)O1 ZINC001590213830 1173296258 /nfs/dbraw/zinc/29/62/58/1173296258.db2.gz KWXHZLVAJOWEHH-HTQZYQBOSA-N -1 1 292.295 1.573 20 0 CDADMM C[C@@H]1CC(OC(=O)c2coc(-c3nn[n-]n3)c2)C[C@@H](C)O1 ZINC001590213830 1173296263 /nfs/dbraw/zinc/29/62/63/1173296263.db2.gz KWXHZLVAJOWEHH-HTQZYQBOSA-N -1 1 292.295 1.573 20 0 CDADMM C[C@@H]1CCN(C(=O)c2csc(-c3nn[n-]n3)c2)[C@@H]1C ZINC001590269662 1173326038 /nfs/dbraw/zinc/32/60/38/1173326038.db2.gz FRWJVLAFLIXHTB-HTQZYQBOSA-N -1 1 277.353 1.799 20 0 CDADMM C[C@H]1CN(c2cc(-c3nnn[n-]3)ncn2)[C@H]1c1ccccc1 ZINC001590313598 1173350913 /nfs/dbraw/zinc/35/09/13/1173350913.db2.gz OCONUTZCBRXDBZ-IINYFYTJSA-N -1 1 293.334 1.854 20 0 CDADMM C[C@H]1CN(c2cc(-c3nn[n-]n3)ncn2)[C@H]1c1ccccc1 ZINC001590313598 1173350918 /nfs/dbraw/zinc/35/09/18/1173350918.db2.gz OCONUTZCBRXDBZ-IINYFYTJSA-N -1 1 293.334 1.854 20 0 CDADMM C[C@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)[C@H]1C ZINC001590321470 1173353615 /nfs/dbraw/zinc/35/36/15/1173353615.db2.gz VJQNGOJEJNRVJJ-WHFBIAKZSA-N -1 1 270.749 1.821 20 0 CDADMM C[C@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)[C@H]1C ZINC001590321470 1173353621 /nfs/dbraw/zinc/35/36/21/1173353621.db2.gz VJQNGOJEJNRVJJ-WHFBIAKZSA-N -1 1 270.749 1.821 20 0 CDADMM C[C@H]1COCCCN1C(=O)c1ccsc1-c1nnn[n-]1 ZINC001590326339 1173356737 /nfs/dbraw/zinc/35/67/37/1173356737.db2.gz OOHODSYTWHUEEK-QMMMGPOBSA-N -1 1 293.352 1.179 20 0 CDADMM C[C@H]1COCCCN1C(=O)c1ccsc1-c1nn[n-]n1 ZINC001590326339 1173356745 /nfs/dbraw/zinc/35/67/45/1173356745.db2.gz OOHODSYTWHUEEK-QMMMGPOBSA-N -1 1 293.352 1.179 20 0 CDADMM C[C@@H]1COC[C@H]1Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001590324539 1173356945 /nfs/dbraw/zinc/35/69/45/1173356945.db2.gz MGQNFTGIKZYLKH-YMTOWFKASA-N -1 1 296.334 1.284 20 0 CDADMM C[C@@H]1COC[C@H]1Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001590324539 1173356954 /nfs/dbraw/zinc/35/69/54/1173356954.db2.gz MGQNFTGIKZYLKH-YMTOWFKASA-N -1 1 296.334 1.284 20 0 CDADMM C/C=C\C[C@@H](CO)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001590351460 1173367606 /nfs/dbraw/zinc/36/76/06/1173367606.db2.gz FTTIHGKHXGWTMS-KZUAUGPASA-N -1 1 294.746 1.654 20 0 CDADMM C/C=C\C[C@@H](CO)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001590351460 1173367611 /nfs/dbraw/zinc/36/76/11/1173367611.db2.gz FTTIHGKHXGWTMS-KZUAUGPASA-N -1 1 294.746 1.654 20 0 CDADMM CC[C@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC001590474826 1173428059 /nfs/dbraw/zinc/42/80/59/1173428059.db2.gz OLHKJIKEWKPHCP-GXSJLCMTSA-N -1 1 289.343 1.335 20 0 CDADMM CC[C@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001590474826 1173428063 /nfs/dbraw/zinc/42/80/63/1173428063.db2.gz OLHKJIKEWKPHCP-GXSJLCMTSA-N -1 1 289.343 1.335 20 0 CDADMM CCC1(CC)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590491096 1173434858 /nfs/dbraw/zinc/43/48/58/1173434858.db2.gz MVRNUXRYOXFCHR-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM CCC1(CC)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590491096 1173434863 /nfs/dbraw/zinc/43/48/63/1173434863.db2.gz MVRNUXRYOXFCHR-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM CC[C@@H]1C[C@@H](C)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001590502887 1173440767 /nfs/dbraw/zinc/44/07/67/1173440767.db2.gz FPYCNCAQHRFFAF-RKDXNWHRSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@@H]1C[C@@H](C)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001590502887 1173440771 /nfs/dbraw/zinc/44/07/71/1173440771.db2.gz FPYCNCAQHRFFAF-RKDXNWHRSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@@H]1CO[C@@H](CC)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001590521545 1173448192 /nfs/dbraw/zinc/44/81/92/1173448192.db2.gz BHPCMVYAZVNZRV-ZJUUUORDSA-N -1 1 289.343 1.051 20 0 CDADMM CC[C@@H]1CO[C@@H](CC)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001590521545 1173448199 /nfs/dbraw/zinc/44/81/99/1173448199.db2.gz BHPCMVYAZVNZRV-ZJUUUORDSA-N -1 1 289.343 1.051 20 0 CDADMM CCCC[C@@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001590577283 1173468250 /nfs/dbraw/zinc/46/82/50/1173468250.db2.gz UJAJAXMHPGMTQH-SECBINFHSA-N -1 1 261.333 1.672 20 0 CDADMM CCCC[C@@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001590577283 1173468256 /nfs/dbraw/zinc/46/82/56/1173468256.db2.gz UJAJAXMHPGMTQH-SECBINFHSA-N -1 1 261.333 1.672 20 0 CDADMM CCCCC1(NC(=O)c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590582976 1173469329 /nfs/dbraw/zinc/46/93/29/1173469329.db2.gz RMYYXHIFOGSOLF-UHFFFAOYSA-N -1 1 286.339 1.714 20 0 CDADMM CCCCC1(NC(=O)c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590582976 1173469332 /nfs/dbraw/zinc/46/93/32/1173469332.db2.gz RMYYXHIFOGSOLF-UHFFFAOYSA-N -1 1 286.339 1.714 20 0 CDADMM CCCCN(c1cc(-c2nnn[n-]2)nc(C)n1)C1CC1 ZINC001590601310 1173472544 /nfs/dbraw/zinc/47/25/44/1173472544.db2.gz HIWDIBQWKJWEBB-UHFFFAOYSA-N -1 1 273.344 1.734 20 0 CDADMM CCCCN(c1cc(-c2nn[n-]n2)nc(C)n1)C1CC1 ZINC001590601310 1173472548 /nfs/dbraw/zinc/47/25/48/1173472548.db2.gz HIWDIBQWKJWEBB-UHFFFAOYSA-N -1 1 273.344 1.734 20 0 CDADMM CCCN(CCC)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590623443 1173479097 /nfs/dbraw/zinc/47/90/97/1173479097.db2.gz GCVHKCNAKXHUHM-UHFFFAOYSA-N -1 1 288.355 1.453 20 0 CDADMM CCCN(CCC)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590623443 1173479099 /nfs/dbraw/zinc/47/90/99/1173479099.db2.gz GCVHKCNAKXHUHM-UHFFFAOYSA-N -1 1 288.355 1.453 20 0 CDADMM CCN(c1cc(-c2nnn[n-]2)ncn1)C1CCCC1 ZINC001590723459 1173498803 /nfs/dbraw/zinc/49/88/03/1173498803.db2.gz HTQQDWLITRKZOI-UHFFFAOYSA-N -1 1 259.317 1.426 20 0 CDADMM CCN(c1cc(-c2nn[n-]n2)ncn1)C1CCCC1 ZINC001590723459 1173498807 /nfs/dbraw/zinc/49/88/07/1173498807.db2.gz HTQQDWLITRKZOI-UHFFFAOYSA-N -1 1 259.317 1.426 20 0 CDADMM CCOC1(C)CN(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001590783534 1173511338 /nfs/dbraw/zinc/51/13/38/1173511338.db2.gz CUWNBVZSHAHDBH-UHFFFAOYSA-N -1 1 263.301 1.071 20 0 CDADMM CCOC1(C)CN(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001590783534 1173511344 /nfs/dbraw/zinc/51/13/44/1173511344.db2.gz CUWNBVZSHAHDBH-UHFFFAOYSA-N -1 1 263.301 1.071 20 0 CDADMM CCSCC[C@H](C)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590853594 1173528485 /nfs/dbraw/zinc/52/84/85/1173528485.db2.gz REVHMCFHYNYEJE-QMMMGPOBSA-N -1 1 295.368 1.721 20 0 CDADMM CCSCC[C@H](C)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590853594 1173528489 /nfs/dbraw/zinc/52/84/89/1173528489.db2.gz REVHMCFHYNYEJE-QMMMGPOBSA-N -1 1 295.368 1.721 20 0 CDADMM CCc1nc(N[C@@H]2[C@@H]3CCC[C@@H]32)cc(-c2nnn[n-]2)n1 ZINC001590916184 1173540770 /nfs/dbraw/zinc/54/07/70/1173540770.db2.gz KDZSHBISBHBTRE-IJBDUVHLSA-N -1 1 271.328 1.430 20 0 CDADMM CCc1nc(N[C@@H]2[C@@H]3CCC[C@@H]32)cc(-c2nn[n-]n2)n1 ZINC001590916184 1173540774 /nfs/dbraw/zinc/54/07/74/1173540774.db2.gz KDZSHBISBHBTRE-IJBDUVHLSA-N -1 1 271.328 1.430 20 0 CDADMM CCc1nc(NC2CCSCC2)cc(-c2nnn[n-]2)n1 ZINC001590916828 1173541201 /nfs/dbraw/zinc/54/12/01/1173541201.db2.gz UXVYYJYVUKZBDB-UHFFFAOYSA-N -1 1 291.384 1.527 20 0 CDADMM CCc1nc(NC2CCSCC2)cc(-c2nn[n-]n2)n1 ZINC001590916828 1173541205 /nfs/dbraw/zinc/54/12/05/1173541205.db2.gz UXVYYJYVUKZBDB-UHFFFAOYSA-N -1 1 291.384 1.527 20 0 CDADMM CCn1ccc(CNc2cccnc2-c2nnn[n-]2)n1 ZINC001590959922 1173550972 /nfs/dbraw/zinc/55/09/72/1173550972.db2.gz UYDGWAFBZYCJBJ-UHFFFAOYSA-N -1 1 270.300 1.090 20 0 CDADMM CCn1ccc(CNc2cccnc2-c2nn[n-]n2)n1 ZINC001590959922 1173550977 /nfs/dbraw/zinc/55/09/77/1173550977.db2.gz UYDGWAFBZYCJBJ-UHFFFAOYSA-N -1 1 270.300 1.090 20 0 CDADMM CO[C@H](CSc1cccnc1-c1nnn[n-]1)C1CC1 ZINC001591332944 1173615640 /nfs/dbraw/zinc/61/56/40/1173615640.db2.gz GSHHJTPCIFVJKH-SECBINFHSA-N -1 1 277.353 1.779 20 0 CDADMM CO[C@H](CSc1cccnc1-c1nn[n-]n1)C1CC1 ZINC001591332944 1173615644 /nfs/dbraw/zinc/61/56/44/1173615644.db2.gz GSHHJTPCIFVJKH-SECBINFHSA-N -1 1 277.353 1.779 20 0 CDADMM CO[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001591347372 1173619964 /nfs/dbraw/zinc/61/99/64/1173619964.db2.gz FNRLVDXDTVZAGW-BDAKNGLRSA-N -1 1 288.311 1.015 20 0 CDADMM CO[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001591347372 1173619966 /nfs/dbraw/zinc/61/99/66/1173619966.db2.gz FNRLVDXDTVZAGW-BDAKNGLRSA-N -1 1 288.311 1.015 20 0 CDADMM COC1CCC(N(C)c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001591351064 1173621796 /nfs/dbraw/zinc/62/17/96/1173621796.db2.gz JFAXFWDYYKKYHH-UHFFFAOYSA-N -1 1 288.355 1.656 20 0 CDADMM COC1CCC(N(C)c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001591351064 1173621798 /nfs/dbraw/zinc/62/17/98/1173621798.db2.gz JFAXFWDYYKKYHH-UHFFFAOYSA-N -1 1 288.355 1.656 20 0 CDADMM CO[C@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001591357858 1173627581 /nfs/dbraw/zinc/62/75/81/1173627581.db2.gz JBUVFFOEVHKHCO-SKDRFNHKSA-N -1 1 274.328 1.123 20 0 CDADMM CO[C@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001591357858 1173627583 /nfs/dbraw/zinc/62/75/83/1173627583.db2.gz JBUVFFOEVHKHCO-SKDRFNHKSA-N -1 1 274.328 1.123 20 0 CDADMM COC/C(C)=C\COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591372245 1173634302 /nfs/dbraw/zinc/63/43/02/1173634302.db2.gz XSKKKVJXOMXPQF-WTKPLQERSA-N -1 1 289.295 1.011 20 0 CDADMM COC/C(C)=C\COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591372245 1173634306 /nfs/dbraw/zinc/63/43/06/1173634306.db2.gz XSKKKVJXOMXPQF-WTKPLQERSA-N -1 1 289.295 1.011 20 0 CDADMM CON(CC(C)(C)C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001591464034 1173654729 /nfs/dbraw/zinc/65/47/29/1173654729.db2.gz CXFOLOYIKFAOBP-UHFFFAOYSA-N -1 1 277.332 1.379 20 0 CDADMM CON(CC(C)(C)C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001591464034 1173654732 /nfs/dbraw/zinc/65/47/32/1173654732.db2.gz CXFOLOYIKFAOBP-UHFFFAOYSA-N -1 1 277.332 1.379 20 0 CDADMM COc1ccc(Cn2cc(-c3nn[n-]n3)ccc2=O)cc1C ZINC001591604815 1173672844 /nfs/dbraw/zinc/67/28/44/1173672844.db2.gz IHJMHQWKENLTJK-UHFFFAOYSA-N -1 1 297.318 1.394 20 0 CDADMM CSc1ccc(CNc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC001591714071 1173691772 /nfs/dbraw/zinc/69/17/72/1173691772.db2.gz OMFFYXFZKYWSEI-UHFFFAOYSA-N -1 1 287.352 1.924 20 0 CDADMM CSc1ccc(CNc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC001591714071 1173691775 /nfs/dbraw/zinc/69/17/75/1173691775.db2.gz OMFFYXFZKYWSEI-UHFFFAOYSA-N -1 1 287.352 1.924 20 0 CDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)C(=O)OC(C)(C)C ZINC001591729680 1173691864 /nfs/dbraw/zinc/69/18/64/1173691864.db2.gz CEYSXPJLEXFNRB-MRVPVSSYSA-N -1 1 290.327 1.404 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)Cc2cscn2)n1 ZINC001591884730 1173737685 /nfs/dbraw/zinc/73/76/85/1173737685.db2.gz VWCQDESKTHOCRZ-UHFFFAOYSA-N -1 1 288.340 1.058 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)Cc2cscn2)n1 ZINC001591884730 1173737695 /nfs/dbraw/zinc/73/76/95/1173737695.db2.gz VWCQDESKTHOCRZ-UHFFFAOYSA-N -1 1 288.340 1.058 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](CO)CC(C)(C)C)n1 ZINC001591891860 1173742561 /nfs/dbraw/zinc/74/25/61/1173742561.db2.gz VQMWGRDYHKXYAZ-SECBINFHSA-N -1 1 291.359 1.174 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](CO)CC(C)(C)C)n1 ZINC001591891860 1173742564 /nfs/dbraw/zinc/74/25/64/1173742564.db2.gz VQMWGRDYHKXYAZ-SECBINFHSA-N -1 1 291.359 1.174 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(SC2CCOCC2)n1 ZINC001591903726 1173743275 /nfs/dbraw/zinc/74/32/75/1173743275.db2.gz MZJBKTYAKMYZCU-UHFFFAOYSA-N -1 1 278.341 1.236 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(SC2CCOCC2)n1 ZINC001591903726 1173743270 /nfs/dbraw/zinc/74/32/70/1173743270.db2.gz MZJBKTYAKMYZCU-UHFFFAOYSA-N -1 1 278.341 1.236 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCc2cccs2)n1 ZINC001591901159 1173745238 /nfs/dbraw/zinc/74/52/38/1173745238.db2.gz OWVZQEGYYUSGPX-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCc2cccs2)n1 ZINC001591901159 1173745243 /nfs/dbraw/zinc/74/52/43/1173745243.db2.gz OWVZQEGYYUSGPX-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1cc(C)nc(NC(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001591957916 1173751806 /nfs/dbraw/zinc/75/18/06/1173751806.db2.gz QVHGCBYCVWQUKL-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1[nH]nc(NCc2cnc(F)cc2C)c1-c1nnn[n-]1 ZINC001591993417 1173766396 /nfs/dbraw/zinc/76/63/96/1173766396.db2.gz IYJYLLGGGDWHRC-UHFFFAOYSA-N -1 1 288.290 1.353 20 0 CDADMM Cc1[nH]nc(NCc2cnc(F)cc2C)c1-c1nn[n-]n1 ZINC001591993417 1173766403 /nfs/dbraw/zinc/76/64/03/1173766403.db2.gz IYJYLLGGGDWHRC-UHFFFAOYSA-N -1 1 288.290 1.353 20 0 CDADMM Cc1cc(NC2CC(F)(F)C2)cc(-c2nnn[n-]2)n1 ZINC001592036017 1173779552 /nfs/dbraw/zinc/77/95/52/1173779552.db2.gz CWUJTAKNMMHSHG-UHFFFAOYSA-N -1 1 266.255 1.202 20 0 CDADMM Cc1cc(NC2CC(F)(F)C2)cc(-c2nn[n-]n2)n1 ZINC001592036017 1173779558 /nfs/dbraw/zinc/77/95/58/1173779558.db2.gz CWUJTAKNMMHSHG-UHFFFAOYSA-N -1 1 266.255 1.202 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H]1CCO[C@@H](C)C1 ZINC001592114047 1173804017 /nfs/dbraw/zinc/80/40/17/1173804017.db2.gz MVFFLENJZGTJIR-QWRGUYRKSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC/C=C/C1CC1 ZINC001592115048 1173806028 /nfs/dbraw/zinc/80/60/28/1173806028.db2.gz XBARARPSOHFBRN-NSCUHMNNSA-N -1 1 256.313 1.948 20 0 CDADMM Cc1ccc(NCC[C@H](O)C2CC2)c(-c2nnn[n-]2)n1 ZINC001592182901 1173825001 /nfs/dbraw/zinc/82/50/01/1173825001.db2.gz DJWVVOXEZLXXLL-NSHDSACASA-N -1 1 274.328 1.143 20 0 CDADMM Cc1ccc(NCC[C@H](O)C2CC2)c(-c2nn[n-]n2)n1 ZINC001592182901 1173825004 /nfs/dbraw/zinc/82/50/04/1173825004.db2.gz DJWVVOXEZLXXLL-NSHDSACASA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cccc(CNc2ccc(C)c(-c3nnn[n-]3)n2)n1 ZINC001592230908 1173835166 /nfs/dbraw/zinc/83/51/66/1173835166.db2.gz VIWYSXIZRKARRF-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1cccc(CNc2ccc(C)c(-c3nn[n-]n3)n2)n1 ZINC001592230908 1173835171 /nfs/dbraw/zinc/83/51/71/1173835171.db2.gz VIWYSXIZRKARRF-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1cccnc1N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592263994 1173838173 /nfs/dbraw/zinc/83/81/73/1173838173.db2.gz MOSQOMTZFLGVMO-UHFFFAOYSA-N -1 1 284.279 1.440 20 0 CDADMM Cc1cccnc1CCNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001592262992 1173838461 /nfs/dbraw/zinc/83/84/61/1173838461.db2.gz IJIWCYUGVGXBSX-UHFFFAOYSA-N -1 1 298.306 1.136 20 0 CDADMM Cc1cccnc1CCNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001592262992 1173838464 /nfs/dbraw/zinc/83/84/64/1173838464.db2.gz IJIWCYUGVGXBSX-UHFFFAOYSA-N -1 1 298.306 1.136 20 0 CDADMM Cc1nc(N[C@@H]2CC[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001592382986 1173875743 /nfs/dbraw/zinc/87/57/43/1173875743.db2.gz XMLWIAGXEMGIOT-IONNQARKSA-N -1 1 259.317 1.566 20 0 CDADMM Cc1nc(N[C@@H]2CC[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001592382986 1173875749 /nfs/dbraw/zinc/87/57/49/1173875749.db2.gz XMLWIAGXEMGIOT-IONNQARKSA-N -1 1 259.317 1.566 20 0 CDADMM Cc1nc(NCCc2cccc(F)c2)cc(-c2nnn[n-]2)n1 ZINC001592391176 1173879369 /nfs/dbraw/zinc/87/93/69/1173879369.db2.gz GMMIXRFMJDZWEK-UHFFFAOYSA-N -1 1 299.313 1.759 20 0 CDADMM Cc1nc(NCCc2cccc(F)c2)cc(-c2nn[n-]n2)n1 ZINC001592391176 1173879372 /nfs/dbraw/zinc/87/93/72/1173879372.db2.gz GMMIXRFMJDZWEK-UHFFFAOYSA-N -1 1 299.313 1.759 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1Cc2ccccc2C1 ZINC001592499464 1173904614 /nfs/dbraw/zinc/90/46/14/1173904614.db2.gz NCLKOSZCKYRISP-UHFFFAOYSA-N -1 1 295.302 1.924 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1Cc2ccccc2C1 ZINC001592499464 1173904619 /nfs/dbraw/zinc/90/46/19/1173904619.db2.gz NCLKOSZCKYRISP-UHFFFAOYSA-N -1 1 295.302 1.924 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@H](C)CC(C)(C)O ZINC001592502190 1173907903 /nfs/dbraw/zinc/90/79/03/1173907903.db2.gz QHJBFNFCEMOCIM-ZETCQYMHSA-N -1 1 294.311 1.474 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@H](C)CC(C)(C)O ZINC001592502190 1173907906 /nfs/dbraw/zinc/90/79/06/1173907906.db2.gz QHJBFNFCEMOCIM-ZETCQYMHSA-N -1 1 294.311 1.474 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC1CCOCC1 ZINC001592503334 1173908898 /nfs/dbraw/zinc/90/88/98/1173908898.db2.gz GHXJBKMFHRMREZ-UHFFFAOYSA-N -1 1 292.295 1.352 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC1CCOCC1 ZINC001592503334 1173908904 /nfs/dbraw/zinc/90/89/04/1173908904.db2.gz GHXJBKMFHRMREZ-UHFFFAOYSA-N -1 1 292.295 1.352 20 0 CDADMM FC1(F)CC(Cn2ccn3ncc(-c4nn[n-]n4)c23)C1 ZINC001592630549 1173938944 /nfs/dbraw/zinc/93/89/44/1173938944.db2.gz OAWMFKXRRWHTER-UHFFFAOYSA-N -1 1 279.254 1.361 20 0 CDADMM NC(=O)CCCCSc1cccnc1-c1nnn[n-]1 ZINC001592727113 1173983512 /nfs/dbraw/zinc/98/35/12/1173983512.db2.gz MMUXOBSAIDSLLO-UHFFFAOYSA-N -1 1 278.341 1.009 20 0 CDADMM NC(=O)CCCCSc1cccnc1-c1nn[n-]n1 ZINC001592727113 1173983515 /nfs/dbraw/zinc/98/35/15/1173983515.db2.gz MMUXOBSAIDSLLO-UHFFFAOYSA-N -1 1 278.341 1.009 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCC1CCCC1 ZINC001592915197 1174004857 /nfs/dbraw/zinc/00/48/57/1174004857.db2.gz RZVLMTJQUFIIKZ-UHFFFAOYSA-N -1 1 287.323 1.538 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCC1CCCC1 ZINC001592915197 1174004862 /nfs/dbraw/zinc/00/48/62/1174004862.db2.gz RZVLMTJQUFIIKZ-UHFFFAOYSA-N -1 1 287.323 1.538 20 0 CDADMM O=C(NC[C@@H]1C=CCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593024647 1174016219 /nfs/dbraw/zinc/01/62/19/1174016219.db2.gz YSYALQDZLZTIIG-SECBINFHSA-N -1 1 287.298 1.702 20 0 CDADMM O=C(NC[C@@H]1C=CCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593024647 1174016226 /nfs/dbraw/zinc/01/62/26/1174016226.db2.gz YSYALQDZLZTIIG-SECBINFHSA-N -1 1 287.298 1.702 20 0 CDADMM O=C(N[C@@H]1C[C@H]1C(F)(F)F)c1coc(-c2nn[n-]n2)c1 ZINC001593180066 1174029893 /nfs/dbraw/zinc/02/98/93/1174029893.db2.gz NTYJFSMZCKIQGX-PHDIDXHHSA-N -1 1 287.201 1.140 20 0 CDADMM O=C(N[C@@H]1C[C@H]1C(F)(F)F)c1coc(-c2nnn[n-]2)c1 ZINC001593180066 1174029890 /nfs/dbraw/zinc/02/98/90/1174029890.db2.gz NTYJFSMZCKIQGX-PHDIDXHHSA-N -1 1 287.201 1.140 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1CCCC12CC2 ZINC001593196990 1174032572 /nfs/dbraw/zinc/03/25/72/1174032572.db2.gz CBKPQVVTIVWZTA-QMMMGPOBSA-N -1 1 273.300 1.109 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1CCCC12CC2 ZINC001593196990 1174032577 /nfs/dbraw/zinc/03/25/77/1174032577.db2.gz CBKPQVVTIVWZTA-QMMMGPOBSA-N -1 1 273.300 1.109 20 0 CDADMM O=C(Nc1ccc(Cl)nc1)c1coc(-c2nnn[n-]2)c1 ZINC001593228984 1174037060 /nfs/dbraw/zinc/03/70/60/1174037060.db2.gz PWKSIGSENCYHOL-UHFFFAOYSA-N -1 1 290.670 1.760 20 0 CDADMM O=C(Nc1ccc(Cl)nc1)c1coc(-c2nn[n-]n2)c1 ZINC001593228984 1174037072 /nfs/dbraw/zinc/03/70/72/1174037072.db2.gz PWKSIGSENCYHOL-UHFFFAOYSA-N -1 1 290.670 1.760 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC[C@H](CF)C1 ZINC001593244448 1174040252 /nfs/dbraw/zinc/04/02/52/1174040252.db2.gz XSQPYAHPOKTQNW-MRVPVSSYSA-N -1 1 291.290 1.085 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC[C@H](CF)C1 ZINC001593244448 1174040259 /nfs/dbraw/zinc/04/02/59/1174040259.db2.gz XSQPYAHPOKTQNW-MRVPVSSYSA-N -1 1 291.290 1.085 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCC2(CCC2)C1 ZINC001593244409 1174040762 /nfs/dbraw/zinc/04/07/62/1174040762.db2.gz QUJLKDBRJAZMJH-UHFFFAOYSA-N -1 1 299.338 1.670 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCC2(CCC2)C1 ZINC001593244409 1174040768 /nfs/dbraw/zinc/04/07/68/1174040768.db2.gz QUJLKDBRJAZMJH-UHFFFAOYSA-N -1 1 299.338 1.670 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@H]1CC2CCC1CC2 ZINC001593259966 1174044234 /nfs/dbraw/zinc/04/42/34/1174044234.db2.gz FWTBPYNKXLIDJR-HACHORDNSA-N -1 1 287.327 1.355 20 0 CDADMM O=C(Nc1nocc1C1CC1)c1coc(-c2nnn[n-]2)c1 ZINC001593269282 1174045781 /nfs/dbraw/zinc/04/57/81/1174045781.db2.gz FCSDYQOBMWDTAX-UHFFFAOYSA-N -1 1 286.251 1.577 20 0 CDADMM O=C(Nc1nocc1C1CC1)c1coc(-c2nn[n-]n2)c1 ZINC001593269282 1174045790 /nfs/dbraw/zinc/04/57/90/1174045790.db2.gz FCSDYQOBMWDTAX-UHFFFAOYSA-N -1 1 286.251 1.577 20 0 CDADMM O[C@H]1Cc2ccccc2[C@H]1Nc1cccnc1-c1nnn[n-]1 ZINC001593520260 1174097975 /nfs/dbraw/zinc/09/79/75/1174097975.db2.gz DVNVSAIYOUODIM-QWHCGFSZSA-N -1 1 294.318 1.332 20 0 CDADMM O[C@H]1Cc2ccccc2[C@H]1Nc1cccnc1-c1nn[n-]n1 ZINC001593520260 1174097980 /nfs/dbraw/zinc/09/79/80/1174097980.db2.gz DVNVSAIYOUODIM-QWHCGFSZSA-N -1 1 294.318 1.332 20 0 CDADMM c1c(-c2nnn[n-]2)nc(C2CC2)nc1N1CC(C2CC2)C1 ZINC001593544000 1174114864 /nfs/dbraw/zinc/11/48/64/1174114864.db2.gz NRMUEZSBZXNAJX-UHFFFAOYSA-N -1 1 283.339 1.380 20 0 CDADMM c1c(-c2nn[n-]n2)nc(C2CC2)nc1N1CC(C2CC2)C1 ZINC001593544000 1174114869 /nfs/dbraw/zinc/11/48/69/1174114869.db2.gz NRMUEZSBZXNAJX-UHFFFAOYSA-N -1 1 283.339 1.380 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC001593551537 1174125040 /nfs/dbraw/zinc/12/50/40/1174125040.db2.gz NCHZQDGKUYJDLJ-GUBZILKMSA-N -1 1 271.328 1.505 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC001593551537 1174125044 /nfs/dbraw/zinc/12/50/44/1174125044.db2.gz NCHZQDGKUYJDLJ-GUBZILKMSA-N -1 1 271.328 1.505 20 0 CDADMM c1cc(N[C@@H]2C[C@H]3CCC[C@H]32)cc(-c2nnn[n-]2)n1 ZINC001593558160 1174134051 /nfs/dbraw/zinc/13/40/51/1174134051.db2.gz KPFAUBZAJAWFKM-FBIMIBRVSA-N -1 1 256.313 1.284 20 0 CDADMM c1cc(N[C@@H]2C[C@H]3CCC[C@H]32)cc(-c2nn[n-]n2)n1 ZINC001593558160 1174134056 /nfs/dbraw/zinc/13/40/56/1174134056.db2.gz KPFAUBZAJAWFKM-FBIMIBRVSA-N -1 1 256.313 1.284 20 0 CDADMM c1cc(Sc2nnccc2-c2nn[n-]n2)ccn1 ZINC001593562449 1174138760 /nfs/dbraw/zinc/13/87/60/1174138760.db2.gz KFPASZTZXDTZOA-UHFFFAOYSA-N -1 1 257.282 1.203 20 0 CDADMM c1ccc(C[C@H]2C[C@H]2Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001593572092 1174143288 /nfs/dbraw/zinc/14/32/88/1174143288.db2.gz PBZPCDYLXYVVPP-NWDGAFQWSA-N -1 1 293.334 1.700 20 0 CDADMM c1ccc(C[C@H]2C[C@H]2Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001593572092 1174143291 /nfs/dbraw/zinc/14/32/91/1174143291.db2.gz PBZPCDYLXYVVPP-NWDGAFQWSA-N -1 1 293.334 1.700 20 0 CDADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CCO[C@@H]2C[C@@H]21 ZINC001593580413 1174148554 /nfs/dbraw/zinc/14/85/54/1174148554.db2.gz OQIKLNAFYLCQQR-UONOGXRCSA-N -1 1 294.318 1.392 20 0 CDADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CCO[C@@H]2C[C@@H]21 ZINC001593580413 1174148558 /nfs/dbraw/zinc/14/85/58/1174148558.db2.gz OQIKLNAFYLCQQR-UONOGXRCSA-N -1 1 294.318 1.392 20 0 CDADMM c1cn(C[C@@H]2CCC3(CCCC3)O2)c(-c2nnn[n-]2)n1 ZINC001593581985 1174148674 /nfs/dbraw/zinc/14/86/74/1174148674.db2.gz AJHJZDWHJCJFDN-JTQLQIEISA-N -1 1 274.328 1.555 20 0 CDADMM c1cn(C[C@@H]2CCC3(CCCC3)O2)c(-c2nn[n-]n2)n1 ZINC001593581985 1174148681 /nfs/dbraw/zinc/14/86/81/1174148681.db2.gz AJHJZDWHJCJFDN-JTQLQIEISA-N -1 1 274.328 1.555 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@@H]2C[C@H]2C2CC2)n1 ZINC001593584878 1174153385 /nfs/dbraw/zinc/15/33/85/1174153385.db2.gz QBMOADVDVAESEK-IUCAKERBSA-N -1 1 257.301 1.115 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@@H]2C[C@H]2C2CC2)n1 ZINC001593584878 1174153388 /nfs/dbraw/zinc/15/33/88/1174153388.db2.gz QBMOADVDVAESEK-IUCAKERBSA-N -1 1 257.301 1.115 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC001593589967 1174157396 /nfs/dbraw/zinc/15/73/96/1174157396.db2.gz ASZZCAJGBDNPIX-IQJOONFLSA-N -1 1 287.327 1.026 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC001593589967 1174157399 /nfs/dbraw/zinc/15/73/99/1174157399.db2.gz ASZZCAJGBDNPIX-IQJOONFLSA-N -1 1 287.327 1.026 20 0 CDADMM c1nc(N2CCC[C@@H](C3CC3)C2)cnc1-c1nnn[n-]1 ZINC001593592031 1174159229 /nfs/dbraw/zinc/15/92/29/1174159229.db2.gz ZYTZNDOUAWMRSP-SNVBAGLBSA-N -1 1 271.328 1.283 20 0 CDADMM c1nc(N2CCC[C@@H](C3CC3)C2)cnc1-c1nn[n-]n1 ZINC001593592031 1174159233 /nfs/dbraw/zinc/15/92/33/1174159233.db2.gz ZYTZNDOUAWMRSP-SNVBAGLBSA-N -1 1 271.328 1.283 20 0 CDADMM CCN(C(=O)c1ccc2n1CCN[C@@H]2C)C(C)(C)C(=O)[O-] ZINC001596169969 1174230585 /nfs/dbraw/zinc/23/05/85/1174230585.db2.gz ZKKUGHNIEWHIFH-SNVBAGLBSA-N -1 1 293.367 1.478 20 0 CDADMM O=C(Nc1ccc(-n2nccn2)nc1)c1ccc([O-])cn1 ZINC001596668902 1174243441 /nfs/dbraw/zinc/24/34/41/1174243441.db2.gz NVVKQLNEJYHHJH-UHFFFAOYSA-N -1 1 282.263 1.015 20 0 CDADMM Cc1cc(C(=O)[O-])cc(C(=O)NC23CCN(CC2)C3)c1 ZINC001600109413 1174364738 /nfs/dbraw/zinc/36/47/38/1174364738.db2.gz PAQDRCNXTAWBLC-UHFFFAOYSA-N -1 1 274.320 1.271 20 0 CDADMM c1nc2ccc(-c3noc(Cc4nnn[n-]4)n3)cc2s1 ZINC000095103521 1174495132 /nfs/dbraw/zinc/49/51/32/1174495132.db2.gz IQZUFHTVOMJUDO-UHFFFAOYSA-N -1 1 285.292 1.450 20 0 CDADMM c1nc2ccc(-c3noc(Cc4nn[n-]n4)n3)cc2s1 ZINC000095103521 1174495135 /nfs/dbraw/zinc/49/51/35/1174495135.db2.gz IQZUFHTVOMJUDO-UHFFFAOYSA-N -1 1 285.292 1.450 20 0 CDADMM CN(Cc1cccc(F)c1)c1cnc(-c2nnn[n-]2)cn1 ZINC000095294767 1174521230 /nfs/dbraw/zinc/52/12/30/1174521230.db2.gz FKTUBMZIYKTJPK-UHFFFAOYSA-N -1 1 285.286 1.432 20 0 CDADMM CN(Cc1cccc(F)c1)c1cnc(-c2nn[n-]n2)cn1 ZINC000095294767 1174521238 /nfs/dbraw/zinc/52/12/38/1174521238.db2.gz FKTUBMZIYKTJPK-UHFFFAOYSA-N -1 1 285.286 1.432 20 0 CDADMM Cc1nc(CC(=O)N[C@H](CC(=O)[O-])c2cccs2)n[nH]1 ZINC001600671675 1174558067 /nfs/dbraw/zinc/55/80/67/1174558067.db2.gz UCZDLOPYDUREDG-MRVPVSSYSA-N -1 1 294.336 1.049 20 0 CDADMM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1occc1C(=O)[O-] ZINC001601141010 1174760361 /nfs/dbraw/zinc/76/03/61/1174760361.db2.gz GHBSEBOWWATFGX-LNLATYFQSA-N -1 1 278.308 1.064 20 0 CDADMM O=C([O-])[C@H](NC(=O)c1[nH]ncc1F)c1ccsc1 ZINC001601405083 1174856250 /nfs/dbraw/zinc/85/62/50/1174856250.db2.gz KLVWOBWDCWQNFZ-SSDOTTSWSA-N -1 1 269.257 1.166 20 0 CDADMM O=C([O-])C12CC(C1)C[N@@H+]2Cc1nc(=O)c2sccc2[n-]1 ZINC001601728313 1174970649 /nfs/dbraw/zinc/97/06/49/1174970649.db2.gz KYYCOAKEEZERHF-UHFFFAOYSA-N -1 1 291.332 1.446 20 0 CDADMM O=C([O-])C12CC(C1)C[N@H+]2Cc1nc(=O)c2sccc2[n-]1 ZINC001601728313 1174970652 /nfs/dbraw/zinc/97/06/52/1174970652.db2.gz KYYCOAKEEZERHF-UHFFFAOYSA-N -1 1 291.332 1.446 20 0 CDADMM O=C([O-])CC1CC(NCc2noc3c2CCCC3)C1 ZINC001601947246 1175080334 /nfs/dbraw/zinc/08/03/34/1175080334.db2.gz ZLABDSWAFAZEHH-UHFFFAOYSA-N -1 1 264.325 1.896 20 0 CDADMM O=C([O-])C[C@H]1CCCCN1Cc1ccc(Cl)nn1 ZINC001601949455 1175082775 /nfs/dbraw/zinc/08/27/75/1175082775.db2.gz CNFCGOCYNAFWBM-SNVBAGLBSA-N -1 1 269.732 1.959 20 0 CDADMM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCN(C3CCC3)CC2)CC1 ZINC001602212888 1175169074 /nfs/dbraw/zinc/16/90/74/1175169074.db2.gz DKMYUPKJQDNGLQ-JOCQHMNTSA-N -1 1 294.395 1.574 20 0 CDADMM O=C([O-])c1ccc(C(=O)N2CC(N3CCCC3)C2)c(F)c1 ZINC001602317272 1175198250 /nfs/dbraw/zinc/19/82/50/1175198250.db2.gz LEALRIDXBOHLRY-UHFFFAOYSA-N -1 1 292.310 1.444 20 0 CDADMM O=C([O-])c1ccc(CN2[C@@H](CO)CC[C@@H]2CO)cc1Cl ZINC001602339605 1175214654 /nfs/dbraw/zinc/21/46/54/1175214654.db2.gz CPXAGHWGMOFLMJ-GHMZBOCLSA-N -1 1 299.754 1.356 20 0 CDADMM O=C([O-])c1ccc2c(c1)CN(C[C@@H](O)c1ccccn1)CC2 ZINC001602421234 1175234635 /nfs/dbraw/zinc/23/46/35/1175234635.db2.gz ZDJHCBQAGHLBDK-MRXNPFEDSA-N -1 1 298.342 1.872 20 0 CDADMM O=C([O-])c1cncc(C(=O)Nc2ccc3[nH]nnc3c2)c1 ZINC001602537036 1175278429 /nfs/dbraw/zinc/27/84/29/1175278429.db2.gz VDGNZLPPTSWUQL-UHFFFAOYSA-N -1 1 283.247 1.303 20 0 CDADMM O=C([O-])c1ncn(CN2CCCC[C@@H]2CC2CCC2)n1 ZINC001602580479 1175306693 /nfs/dbraw/zinc/30/66/93/1175306693.db2.gz YBWFQOQIHBFIJX-GFCCVEGCSA-N -1 1 278.356 1.979 20 0 CDADMM C1=CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)CC1 ZINC001602748902 1175383017 /nfs/dbraw/zinc/38/30/17/1175383017.db2.gz IUFFWKOAZDNBAC-SNVBAGLBSA-N -1 1 271.328 1.815 20 0 CDADMM CC(C)(C)O[N-]C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000126376883 1175459618 /nfs/dbraw/zinc/45/96/18/1175459618.db2.gz YHJHJNRMABGZPB-JTQLQIEISA-N -1 1 280.324 1.474 20 0 CDADMM C[C@@H](C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)C1CCCC1 ZINC001603145079 1175501300 /nfs/dbraw/zinc/50/13/00/1175501300.db2.gz BASZXMUGNJOYAV-CHWSQXEVSA-N -1 1 296.411 1.820 20 0 CDADMM CC(C)[C@H](C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001603207738 1175516199 /nfs/dbraw/zinc/51/61/99/1175516199.db2.gz ALQMEGPPZXPIFE-QMMMGPOBSA-N -1 1 279.369 1.837 20 0 CDADMM CC(C)C1(CNC(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001603238485 1175522400 /nfs/dbraw/zinc/52/24/00/1175522400.db2.gz OCRFBKNGXLFMLI-UHFFFAOYSA-N -1 1 275.312 1.626 20 0 CDADMM CC(C)C1(CNC(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001603238485 1175522403 /nfs/dbraw/zinc/52/24/03/1175522403.db2.gz OCRFBKNGXLFMLI-UHFFFAOYSA-N -1 1 275.312 1.626 20 0 CDADMM CC(C)N(C)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603316249 1175537965 /nfs/dbraw/zinc/53/79/65/1175537965.db2.gz UNWGICWZTXKMSZ-UHFFFAOYSA-N -1 1 261.289 1.134 20 0 CDADMM CC(C)N(C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603316249 1175537970 /nfs/dbraw/zinc/53/79/70/1175537970.db2.gz UNWGICWZTXKMSZ-UHFFFAOYSA-N -1 1 261.289 1.134 20 0 CDADMM CC(C)O[C@@H](Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001603342947 1175544263 /nfs/dbraw/zinc/54/42/63/1175544263.db2.gz BCCRWQIEHNBYDX-LBPRGKRZSA-N -1 1 299.338 1.625 20 0 CDADMM CC(C)Oc1ccccc1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001603374764 1175549170 /nfs/dbraw/zinc/54/91/70/1175549170.db2.gz WKUDGZSKGDYAHL-UHFFFAOYSA-N -1 1 299.338 1.989 20 0 CDADMM CC(C)Oc1ccccc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001603374764 1175549180 /nfs/dbraw/zinc/54/91/80/1175549180.db2.gz WKUDGZSKGDYAHL-UHFFFAOYSA-N -1 1 299.338 1.989 20 0 CDADMM CC(C)SCCNc1ccnc(-c2nnn[n-]2)c1 ZINC001603377397 1175549534 /nfs/dbraw/zinc/54/95/34/1175549534.db2.gz SOCPGESVEQNLAT-UHFFFAOYSA-N -1 1 264.358 1.815 20 0 CDADMM CC(C)SCCNc1ccnc(-c2nn[n-]n2)c1 ZINC001603377397 1175549539 /nfs/dbraw/zinc/54/95/39/1175549539.db2.gz SOCPGESVEQNLAT-UHFFFAOYSA-N -1 1 264.358 1.815 20 0 CDADMM C[C@@H](CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)CC(C)(C)C ZINC001603449657 1175552665 /nfs/dbraw/zinc/55/26/65/1175552665.db2.gz WUPLONGASVOZBU-QMMMGPOBSA-N -1 1 291.359 1.991 20 0 CDADMM CC(C)n1ccnc1Sc1cncc(-c2nnn[n-]2)n1 ZINC001603431256 1175553494 /nfs/dbraw/zinc/55/34/94/1175553494.db2.gz JHGREROEYBJMCV-UHFFFAOYSA-N -1 1 288.340 1.585 20 0 CDADMM CC(C)n1ccnc1Sc1cncc(-c2nn[n-]n2)n1 ZINC001603431256 1175553500 /nfs/dbraw/zinc/55/35/00/1175553500.db2.gz JHGREROEYBJMCV-UHFFFAOYSA-N -1 1 288.340 1.585 20 0 CDADMM CC(C)n1cc(Nc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC001603430666 1175554638 /nfs/dbraw/zinc/55/46/38/1175554638.db2.gz FNYQLKDGLGSPHW-UHFFFAOYSA-N -1 1 270.300 1.205 20 0 CDADMM CC(C)n1cc(Nc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC001603430666 1175554645 /nfs/dbraw/zinc/55/46/45/1175554645.db2.gz FNYQLKDGLGSPHW-UHFFFAOYSA-N -1 1 270.300 1.205 20 0 CDADMM C[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1cn[nH]c1 ZINC001603650074 1175586162 /nfs/dbraw/zinc/58/61/62/1175586162.db2.gz URJGEORWEAWODJ-LURJTMIESA-N -1 1 289.324 1.142 20 0 CDADMM C[C@@H](Sc1cccnc1-c1nnn[n-]1)c1ncccn1 ZINC001603720268 1175608596 /nfs/dbraw/zinc/60/85/96/1175608596.db2.gz CPYMHSBEGWDCNT-MRVPVSSYSA-N -1 1 285.336 1.905 20 0 CDADMM C[C@@H](Sc1cccnc1-c1nn[n-]n1)c1ncccn1 ZINC001603720268 1175608598 /nfs/dbraw/zinc/60/85/98/1175608598.db2.gz CPYMHSBEGWDCNT-MRVPVSSYSA-N -1 1 285.336 1.905 20 0 CDADMM C[C@@H](c1ccccc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001603733992 1175611952 /nfs/dbraw/zinc/61/19/52/1175611952.db2.gz AFTLPBYBIMDJBF-JTQLQIEISA-N -1 1 281.323 1.854 20 0 CDADMM C[C@@H](c1ccccc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001603733992 1175611955 /nfs/dbraw/zinc/61/19/55/1175611955.db2.gz AFTLPBYBIMDJBF-JTQLQIEISA-N -1 1 281.323 1.854 20 0 CDADMM CC1(C)C(Nc2cc(-c3nnn[n-]3)ncn2)C1(C)C ZINC001603758046 1175620451 /nfs/dbraw/zinc/62/04/51/1175620451.db2.gz SGVAOCVPQLWRAB-UHFFFAOYSA-N -1 1 259.317 1.503 20 0 CDADMM CC1(C)C(Nc2cc(-c3nn[n-]n3)ncn2)C1(C)C ZINC001603758046 1175620459 /nfs/dbraw/zinc/62/04/59/1175620459.db2.gz SGVAOCVPQLWRAB-UHFFFAOYSA-N -1 1 259.317 1.503 20 0 CDADMM CC1(C)CCC[C@@H]1OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001603773717 1175627305 /nfs/dbraw/zinc/62/73/05/1175627305.db2.gz MASHGYBPSPAABY-NSHDSACASA-N -1 1 287.323 1.997 20 0 CDADMM CC1(C)CCC[C@@H]1OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001603773717 1175627309 /nfs/dbraw/zinc/62/73/09/1175627309.db2.gz MASHGYBPSPAABY-NSHDSACASA-N -1 1 287.323 1.997 20 0 CDADMM C[C@H]1CC[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001603880436 1175668412 /nfs/dbraw/zinc/66/84/12/1175668412.db2.gz GEGPSXYZTPHIDW-DTWKUNHWSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@H]1CC[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001603880436 1175668418 /nfs/dbraw/zinc/66/84/18/1175668418.db2.gz GEGPSXYZTPHIDW-DTWKUNHWSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@H]1CCN(c2cccnc2-c2nnn[n-]2)CCS1 ZINC001603909085 1175680430 /nfs/dbraw/zinc/68/04/30/1175680430.db2.gz HMWNERPZERFJLP-VIFPVBQESA-N -1 1 276.369 1.594 20 0 CDADMM C[C@H]1CCN(c2cccnc2-c2nn[n-]n2)CCS1 ZINC001603909085 1175680432 /nfs/dbraw/zinc/68/04/32/1175680432.db2.gz HMWNERPZERFJLP-VIFPVBQESA-N -1 1 276.369 1.594 20 0 CDADMM C[C@H]1[C@@H](C)N(c2ncncc2-c2nn[n-]n2)C[C@H]1C ZINC001603944023 1175691973 /nfs/dbraw/zinc/69/19/73/1175691973.db2.gz AXJACZGSKGZZKW-IWSPIJDZSA-N -1 1 259.317 1.137 20 0 CDADMM CC[C@H](C)[C@](C)(O)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001603996218 1175710742 /nfs/dbraw/zinc/71/07/42/1175710742.db2.gz FFDYYTRLBJAUGP-ISVAXAHUSA-N -1 1 291.359 1.174 20 0 CDADMM CC[C@H](C)[C@](C)(O)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001603996218 1175710746 /nfs/dbraw/zinc/71/07/46/1175710746.db2.gz FFDYYTRLBJAUGP-ISVAXAHUSA-N -1 1 291.359 1.174 20 0 CDADMM CC[C@@H](C)CC(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001603999735 1175713190 /nfs/dbraw/zinc/71/31/90/1175713190.db2.gz HLKXPUFDHZPCML-MRVPVSSYSA-N -1 1 264.285 1.939 20 0 CDADMM CC[C@@H](C)CC(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001603999735 1175713197 /nfs/dbraw/zinc/71/31/97/1175713197.db2.gz HLKXPUFDHZPCML-MRVPVSSYSA-N -1 1 264.285 1.939 20 0 CDADMM CC[C@H](CC[NH2+]Cc1csc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001604030247 1175725799 /nfs/dbraw/zinc/72/57/99/1175725799.db2.gz QCGTVPPRFHDDNE-SECBINFHSA-N -1 1 295.368 1.519 20 0 CDADMM CC[C@H]1[C@@H](C)CCN1Cn1cccc(-c2nnn[n-]2)c1=O ZINC001604096365 1175758325 /nfs/dbraw/zinc/75/83/25/1175758325.db2.gz HLOBGOCEZXWIQK-JQWIXIFHSA-N -1 1 288.355 1.106 20 0 CDADMM CC[C@H]1[C@@H](C)CCN1Cn1cccc(-c2nn[n-]n2)c1=O ZINC001604096365 1175758328 /nfs/dbraw/zinc/75/83/28/1175758328.db2.gz HLOBGOCEZXWIQK-JQWIXIFHSA-N -1 1 288.355 1.106 20 0 CDADMM CS(=O)(=O)c1ccc2nc(-c3cc[nH]c(=O)c3)[n-]c2c1 ZINC000235051031 1178233056 /nfs/dbraw/zinc/23/30/56/1178233056.db2.gz DUJIGBKVXPGHJS-UHFFFAOYSA-N -1 1 289.316 1.322 20 0 CDADMM CS(=O)(=O)c1ccc2[n-]c(-c3cc[nH]c(=O)c3)nc2c1 ZINC000235051031 1178233063 /nfs/dbraw/zinc/23/30/63/1178233063.db2.gz DUJIGBKVXPGHJS-UHFFFAOYSA-N -1 1 289.316 1.322 20 0 CDADMM CCC[C@@H]1C(=O)NCCN1C(=O)c1ccc([O-])cc1F ZINC000165464038 1181010668 /nfs/dbraw/zinc/01/06/68/1181010668.db2.gz XPZISIDWJSRLTH-GFCCVEGCSA-N -1 1 280.299 1.272 20 0 CDADMM CC[C@@H](CS(=O)(=O)[N-]c1c[nH]nc1C(C)C)OC ZINC001771843941 1186900394 /nfs/dbraw/zinc/90/03/94/1186900394.db2.gz YZQUMZVYULSWDA-VIFPVBQESA-N -1 1 275.374 1.700 20 0 CDADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC([C@@H]2CCOC2)C1 ZINC001771917047 1186954680 /nfs/dbraw/zinc/95/46/80/1186954680.db2.gz NYEMDMWOSQKURQ-SNVBAGLBSA-N -1 1 289.335 1.168 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC[C@H](C)F ZINC001606167221 1163793935 /nfs/dbraw/zinc/79/39/35/1163793935.db2.gz JKXVUAOQAMSKHC-LURJTMIESA-N -1 1 267.264 1.246 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC[C@H](C)F ZINC001606167221 1163793938 /nfs/dbraw/zinc/79/39/38/1163793938.db2.gz JKXVUAOQAMSKHC-LURJTMIESA-N -1 1 267.264 1.246 20 0 CDADMM ClC1(Cl)CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001606185491 1163801084 /nfs/dbraw/zinc/80/10/84/1163801084.db2.gz SRULMEGYFRKLDH-UHFFFAOYSA-N -1 1 286.126 1.405 20 0 CDADMM ClC1(Cl)CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001606185491 1163801089 /nfs/dbraw/zinc/80/10/89/1163801089.db2.gz SRULMEGYFRKLDH-UHFFFAOYSA-N -1 1 286.126 1.405 20 0 CDADMM FCC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001606302850 1163850226 /nfs/dbraw/zinc/85/02/26/1163850226.db2.gz MUOKEJXMKWLGHT-VIFPVBQESA-N -1 1 277.307 1.233 20 0 CDADMM FCC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001606302850 1163850237 /nfs/dbraw/zinc/85/02/37/1163850237.db2.gz MUOKEJXMKWLGHT-VIFPVBQESA-N -1 1 277.307 1.233 20 0 CDADMM COC(=O)[C@@H]1CCCC[C@H]1CN1CCOC[C@H]1CC(=O)[O-] ZINC001606406301 1163891525 /nfs/dbraw/zinc/89/15/25/1163891525.db2.gz ZLJVGPCUWJYBLQ-YNEHKIRRSA-N -1 1 299.367 1.141 20 0 CDADMM O=C(C[C@@H]1CCCC1(F)F)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001606499425 1163917980 /nfs/dbraw/zinc/91/79/80/1163917980.db2.gz KIGCFXVNOYEZJX-LURJTMIESA-N -1 1 297.269 1.354 20 0 CDADMM O=C(N[C@@H]1CC12CC2)c1cccc(F)c1-c1nnn[n-]1 ZINC001606653289 1163947192 /nfs/dbraw/zinc/94/71/92/1163947192.db2.gz COCWCUTWAMMTSU-SECBINFHSA-N -1 1 273.271 1.288 20 0 CDADMM O=C(N[C@@H]1CC12CC2)c1cccc(F)c1-c1nn[n-]n1 ZINC001606653289 1163947200 /nfs/dbraw/zinc/94/72/00/1163947200.db2.gz COCWCUTWAMMTSU-SECBINFHSA-N -1 1 273.271 1.288 20 0 CDADMM COC1(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)CC1 ZINC001606691883 1163962958 /nfs/dbraw/zinc/96/29/58/1163962958.db2.gz 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ZINC001589394168 1173142482 /nfs/dbraw/zinc/14/24/82/1173142482.db2.gz TUFSBABIKULOMI-UHFFFAOYSA-N -1 1 292.270 1.388 20 0 CDADMM CC(C)CO[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589638904 1173166566 /nfs/dbraw/zinc/16/65/66/1173166566.db2.gz GQHABTHAYCAXNI-SECBINFHSA-N -1 1 290.327 1.261 20 0 CDADMM CC(C)CO[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589638904 1173166574 /nfs/dbraw/zinc/16/65/74/1173166574.db2.gz GQHABTHAYCAXNI-SECBINFHSA-N -1 1 290.327 1.261 20 0 CDADMM CC(=O)N[C@H]1CCCN(Cc2ccc(C(=O)[O-])s2)C1 ZINC000652389876 424356969 /nfs/dbraw/zinc/35/69/69/424356969.db2.gz LJIRUXOPUKCRCM-JTQLQIEISA-N -1 1 282.365 1.547 20 0 CDADMM Cc1noc(CN(C)C(=O)c2ccc([O-])cc2F)n1 ZINC000655358731 424498184 /nfs/dbraw/zinc/49/81/84/424498184.db2.gz UIONWCZZQQACDE-UHFFFAOYSA-N -1 1 265.244 1.495 20 0 CDADMM Cc1noc(CN(C)C(=O)c2c(F)ccc([O-])c2F)n1 ZINC000655359988 424503705 /nfs/dbraw/zinc/50/37/05/424503705.db2.gz RIGLTQURJNYVTD-UHFFFAOYSA-N -1 1 283.234 1.634 20 0 CDADMM Cc1ccc(CN2C[C@@H](C)O[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000652509292 424505335 /nfs/dbraw/zinc/50/53/35/424505335.db2.gz XBGSPUATYBIUJO-TZMCWYRMSA-N -1 1 263.337 1.977 20 0 CDADMM CC1(C)C[C@H](Sc2ccc(-c3nnn[n-]3)nn2)CO1 ZINC001590086293 1173251186 /nfs/dbraw/zinc/25/11/86/1173251186.db2.gz ZHFNMEMMTIXYFQ-ZETCQYMHSA-N -1 1 278.341 1.316 20 0 CDADMM CC1(C)C[C@H](Sc2ccc(-c3nn[n-]n3)nn2)CO1 ZINC001590086293 1173251190 /nfs/dbraw/zinc/25/11/90/1173251190.db2.gz ZHFNMEMMTIXYFQ-ZETCQYMHSA-N -1 1 278.341 1.316 20 0 CDADMM CC1(C)CN(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001590106525 1173259119 /nfs/dbraw/zinc/25/91/19/1173259119.db2.gz KKNKVIAKOVCDSL-UHFFFAOYSA-N -1 1 250.331 1.165 20 0 CDADMM CC1(C)CN(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001590106525 1173259123 /nfs/dbraw/zinc/25/91/23/1173259123.db2.gz KKNKVIAKOVCDSL-UHFFFAOYSA-N -1 1 250.331 1.165 20 0 CDADMM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1nnn[n-]1 ZINC000184061385 270250830 /nfs/dbraw/zinc/25/08/30/270250830.db2.gz AABNPMGHYJVEPO-DTWKUNHWSA-N -1 1 253.306 1.124 20 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CS[C@H]1C[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001591702393 1173688826 /nfs/dbraw/zinc/68/88/26/1173688826.db2.gz BUKZMOCEKCSXLK-ZKCHVHJHSA-N -1 1 277.357 1.271 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@]2(C)CC2(C)C)n1 ZINC001591895790 1173741231 /nfs/dbraw/zinc/74/12/31/1173741231.db2.gz DMBVBTLYYOWRKA-ZDUSSCGKSA-N -1 1 273.344 1.813 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@]2(C)CC2(C)C)n1 ZINC001591895790 1173741236 /nfs/dbraw/zinc/74/12/36/1173741236.db2.gz DMBVBTLYYOWRKA-ZDUSSCGKSA-N -1 1 273.344 1.813 20 0 CDADMM O=C1C[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)CCN1 ZINC000350841808 316211425 /nfs/dbraw/zinc/21/14/25/316211425.db2.gz WVUYZUWFTPFCTF-QMMMGPOBSA-N -1 1 277.255 1.575 20 0 CDADMM CC[C@@H](C)NC(=O)[C@H](C)Sc1ncc(C)c(=O)[n-]1 ZINC000563439625 316310778 /nfs/dbraw/zinc/31/07/78/316310778.db2.gz NQSILUXVNCIFTB-BDAKNGLRSA-N -1 1 269.370 1.886 20 0 CDADMM CN(C)[C@H](CNC(=O)CCC(=O)[O-])c1ccc(F)cc1 ZINC000575747984 317006774 /nfs/dbraw/zinc/00/67/74/317006774.db2.gz 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CCCN(C)CC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000737007434 575791964 /nfs/dbraw/zinc/79/19/64/575791964.db2.gz IHYPJYGUPMUCGV-UHFFFAOYSA-N -1 1 268.288 1.804 20 0 CDADMM CCN(CC)CC(=O)Nc1cccc(C(=O)[O-])c1O ZINC000737087113 575815397 /nfs/dbraw/zinc/81/53/97/575815397.db2.gz SLOPTIVHVYFJCY-UHFFFAOYSA-N -1 1 266.297 1.371 20 0 CDADMM Cc1cnc(COC(=O)c2ccc([O-])cc2F)cn1 ZINC000773571681 575827365 /nfs/dbraw/zinc/82/73/65/575827365.db2.gz GEFQJJDPNMITGA-UHFFFAOYSA-N -1 1 262.240 1.987 20 0 CDADMM COc1cccc(CN(C)c2cnc(-c3nnn[n-]3)cn2)c1 ZINC000737130069 575828642 /nfs/dbraw/zinc/82/86/42/575828642.db2.gz AOLGLBLBGNPYBS-UHFFFAOYSA-N -1 1 297.322 1.302 20 0 CDADMM COc1cccc(CN(C)c2cnc(-c3nn[n-]n3)cn2)c1 ZINC000737130069 575828645 /nfs/dbraw/zinc/82/86/45/575828645.db2.gz AOLGLBLBGNPYBS-UHFFFAOYSA-N -1 1 297.322 1.302 20 0 CDADMM O=C(NCc1cccnc1)c1ccc2n[n-]c(=S)n2c1 ZINC000773690377 575833882 /nfs/dbraw/zinc/83/38/82/575833882.db2.gz LURZHAMPYNVQKC-UHFFFAOYSA-N -1 1 285.332 1.343 20 0 CDADMM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCCNC/C(Cl)=C\Cl ZINC001601777443 1175002322 /nfs/dbraw/zinc/00/23/22/1175002322.db2.gz DLQCBAFMRWLWEE-LKJMDQPVSA-N -1 1 295.166 1.122 20 0 CDADMM Cc1cccc(N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737397595 575955083 /nfs/dbraw/zinc/95/50/83/575955083.db2.gz ZCDKFHAHXCHQLL-UHFFFAOYSA-N -1 1 294.318 1.847 20 0 CDADMM Cc1cccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737397595 575955086 /nfs/dbraw/zinc/95/50/86/575955086.db2.gz ZCDKFHAHXCHQLL-UHFFFAOYSA-N -1 1 294.318 1.847 20 0 CDADMM O=C(C[C@@H]1CCc2ccccc21)OCc1nn[n-]n1 ZINC000737820232 576014531 /nfs/dbraw/zinc/01/45/31/576014531.db2.gz PYUACEQUSJLNJF-JTQLQIEISA-N -1 1 258.281 1.363 20 0 CDADMM Cc1[nH]c2ccccc2c1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765407963 576017114 /nfs/dbraw/zinc/01/71/14/576017114.db2.gz CGSSTZXSVPLXKH-UHFFFAOYSA-N -1 1 286.291 1.255 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1C2CCCC1CCC2 ZINC000738257721 576053930 /nfs/dbraw/zinc/05/39/30/576053930.db2.gz CHYZPYGIRLJFEQ-UHFFFAOYSA-N -1 1 298.350 1.809 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1C2CCCC1CCC2 ZINC000738257721 576053935 /nfs/dbraw/zinc/05/39/35/576053935.db2.gz CHYZPYGIRLJFEQ-UHFFFAOYSA-N -1 1 298.350 1.809 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000738259911 576054231 /nfs/dbraw/zinc/05/42/31/576054231.db2.gz XNTGJMMWLQEOSO-GWCFXTLKSA-N -1 1 298.350 1.666 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000738259911 576054232 /nfs/dbraw/zinc/05/42/32/576054232.db2.gz XNTGJMMWLQEOSO-GWCFXTLKSA-N -1 1 298.350 1.666 20 0 CDADMM Cc1cc(NC(=O)[C@H]2CCCN2C)c(C(=O)[O-])[nH]1 ZINC000738423350 576072236 /nfs/dbraw/zinc/07/22/36/576072236.db2.gz UHBLCAOBGFBNGC-SECBINFHSA-N -1 1 251.286 1.054 20 0 CDADMM Cn1cncc1CNCc1cccc(OCC(=O)[O-])c1 ZINC000739059377 576155350 /nfs/dbraw/zinc/15/53/50/576155350.db2.gz ZTUXLCALLHJFIZ-UHFFFAOYSA-N -1 1 275.308 1.173 20 0 CDADMM COc1ncc(C(=O)Nc2ccc(F)cc2[O-])cn1 ZINC000768257073 576267298 /nfs/dbraw/zinc/26/72/98/576267298.db2.gz CWIRGLCVVYOWCG-UHFFFAOYSA-N -1 1 263.228 1.582 20 0 CDADMM Cn1c2ccccc2nc1CN1CCC(C(=O)[O-])CC1 ZINC000740276803 576456334 /nfs/dbraw/zinc/45/63/34/576456334.db2.gz AUSXTBCAOLRLFX-UHFFFAOYSA-N -1 1 273.336 1.870 20 0 CDADMM C[N-]S(=O)(=O)c1ccc(C(=O)OC[Si](C)(C)C)o1 ZINC000740954950 576526018 /nfs/dbraw/zinc/52/60/18/576526018.db2.gz RLBBIHCGKKTNRB-UHFFFAOYSA-N -1 1 291.401 1.222 20 0 CDADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccnn2C)c1 ZINC000744883097 576703044 /nfs/dbraw/zinc/70/30/44/576703044.db2.gz UHMNNRCTVZDRSF-UHFFFAOYSA-N -1 1 288.303 1.728 20 0 CDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC1CC1 ZINC000763970282 576769429 /nfs/dbraw/zinc/76/94/29/576769429.db2.gz OYDQUKXSGLCGLK-UHFFFAOYSA-N -1 1 275.308 1.547 20 0 CDADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)c1cn[nH]c1 ZINC000754348020 576892547 /nfs/dbraw/zinc/89/25/47/576892547.db2.gz CGTUURNERWOIGE-UHFFFAOYSA-N -1 1 289.339 1.788 20 0 CDADMM Cc1noc(C)c1CN(C)C(=O)c1ncccc1[O-] ZINC000750665728 576999322 /nfs/dbraw/zinc/99/93/22/576999322.db2.gz IXFAXRIEQIVDEN-UHFFFAOYSA-N -1 1 261.281 1.664 20 0 CDADMM O=S(=O)([N-][C@H](CO)C1CC1)c1ccc(F)c(F)c1F ZINC000751421573 577040109 /nfs/dbraw/zinc/04/01/09/577040109.db2.gz GFBZHIAYAYJJLW-MRVPVSSYSA-N -1 1 295.282 1.153 20 0 CDADMM O=S(=O)(Oc1cncc(Cl)c1)c1c[n-]cn1 ZINC000758550256 577116328 /nfs/dbraw/zinc/11/63/28/577116328.db2.gz AHLBIEVNMFPXBY-UHFFFAOYSA-N -1 1 259.674 1.226 20 0 CDADMM Cn1ccc(S(=O)(=O)Nc2c(F)cccc2C(=O)[O-])n1 ZINC000759111540 577153068 /nfs/dbraw/zinc/15/30/68/577153068.db2.gz SBSGZEWQLIPAOE-UHFFFAOYSA-N -1 1 299.283 1.058 20 0 CDADMM O=C([O-])C[C@@H]1CCCCN1Cc1ccc(Cl)nn1 ZINC001601949454 1175081662 /nfs/dbraw/zinc/08/16/62/1175081662.db2.gz CNFCGOCYNAFWBM-JTQLQIEISA-N -1 1 269.732 1.959 20 0 CDADMM c1cc2cc(Nc3nccnc3-c3nnn[n-]3)ccc2[nH]1 ZINC000095236569 598894808 /nfs/dbraw/zinc/89/48/08/598894808.db2.gz CZVFYAKTCPKICF-UHFFFAOYSA-N -1 1 278.279 1.882 20 0 CDADMM c1cc2cc(Nc3nccnc3-c3nn[n-]n3)ccc2[nH]1 ZINC000095236569 598894811 /nfs/dbraw/zinc/89/48/11/598894811.db2.gz CZVFYAKTCPKICF-UHFFFAOYSA-N -1 1 278.279 1.882 20 0 CDADMM C[C@H](CO)Sc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000095155108 599106522 /nfs/dbraw/zinc/10/65/22/599106522.db2.gz PPLLNRXRXIWPAC-SSDOTTSWSA-N -1 1 288.336 1.283 20 0 CDADMM CC[C@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1)N(C)C ZINC000828587150 602186777 /nfs/dbraw/zinc/18/67/77/602186777.db2.gz NTFVKQRLPONISQ-GFCCVEGCSA-N -1 1 280.324 1.429 20 0 CDADMM COC(=O)c1ccc(CN2CCC(C(=O)[O-])CC2)o1 ZINC000076561881 596923530 /nfs/dbraw/zinc/92/35/30/596923530.db2.gz PVEZPLANHOYPNS-UHFFFAOYSA-N -1 1 267.281 1.363 20 0 CDADMM C[C@H](C(=O)OC(C)(C)C)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000817791547 597088683 /nfs/dbraw/zinc/08/86/83/597088683.db2.gz IIPUJKZFDIYRDC-MNOVXSKESA-N -1 1 271.357 1.903 20 0 CDADMM COC(=O)c1ccc(CN(C)CC(=O)[O-])c(F)c1 ZINC000820680287 597420961 /nfs/dbraw/zinc/42/09/61/597420961.db2.gz PQZPZCPCXPXAPK-UHFFFAOYSA-N -1 1 255.245 1.129 20 0 CDADMM CCc1ccccc1NC(=O)[C@H](C)N1CC[C@@H](C(=O)[O-])C1 ZINC000818339258 597531077 /nfs/dbraw/zinc/53/10/77/597531077.db2.gz DJQWUPBZQUJKAH-WCQYABFASA-N -1 1 290.363 1.983 20 0 CDADMM CC(=O)NCCN(Cc1ccccc1Cl)[C@@H](C)C(=O)[O-] ZINC000263445576 597675098 /nfs/dbraw/zinc/67/50/98/597675098.db2.gz XSVMBGZTQJJIHM-JTQLQIEISA-N -1 1 298.770 1.751 20 0 CDADMM CC(C)S(=O)(=O)CCN[C@H](C(=O)[O-])c1ccccc1 ZINC000232801794 598200273 /nfs/dbraw/zinc/20/02/73/598200273.db2.gz ILYUFHBAWQITCQ-LBPRGKRZSA-N -1 1 285.365 1.225 20 0 CDADMM NC(=O)c1ccc(CNCc2cccc(C(=O)[O-])c2)cn1 ZINC000821352915 598204454 /nfs/dbraw/zinc/20/44/54/598204454.db2.gz CXFKOFFHOMYEHN-UHFFFAOYSA-N -1 1 285.303 1.169 20 0 CDADMM Cc1ccc(Oc2nccnc2-c2nn[n-]n2)cn1 ZINC000095324468 598347316 /nfs/dbraw/zinc/34/73/16/598347316.db2.gz LKSMCNMHRRCPDH-UHFFFAOYSA-N -1 1 255.241 1.152 20 0 CDADMM c1ccc(Sc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC000095168975 598383550 /nfs/dbraw/zinc/38/35/50/598383550.db2.gz BPNFEWUTNXPCRH-UHFFFAOYSA-N -1 1 256.294 1.808 20 0 CDADMM c1ccc(Sc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC000095168975 598383552 /nfs/dbraw/zinc/38/35/52/598383552.db2.gz BPNFEWUTNXPCRH-UHFFFAOYSA-N -1 1 256.294 1.808 20 0 CDADMM c1cc(CCNc2cccc(-c3nnn[n-]3)n2)cs1 ZINC000095147446 599404210 /nfs/dbraw/zinc/40/42/10/599404210.db2.gz NVUGKGGHYUAOMG-UHFFFAOYSA-N -1 1 272.337 1.978 20 0 CDADMM c1cc(CCNc2cccc(-c3nn[n-]n3)n2)cs1 ZINC000095147446 599404212 /nfs/dbraw/zinc/40/42/12/599404212.db2.gz NVUGKGGHYUAOMG-UHFFFAOYSA-N -1 1 272.337 1.978 20 0 CDADMM C[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000095255287 599419601 /nfs/dbraw/zinc/41/96/01/599419601.db2.gz FGTLWLIDIGQZBJ-SNVBAGLBSA-N -1 1 258.329 1.888 20 0 CDADMM C[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000095255287 599419604 /nfs/dbraw/zinc/41/96/04/599419604.db2.gz FGTLWLIDIGQZBJ-SNVBAGLBSA-N -1 1 258.329 1.888 20 0 CDADMM CCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000037432584 599777564 /nfs/dbraw/zinc/77/75/64/599777564.db2.gz NSXRTQCGTPYNCD-NSHDSACASA-N -1 1 267.329 1.492 20 0 CDADMM Cc1cc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)n[nH]1 ZINC000237371103 599929736 /nfs/dbraw/zinc/92/97/36/599929736.db2.gz NQTWNPJDMIITDN-SSDOTTSWSA-N -1 1 251.286 1.043 20 0 CDADMM CCC[C@@](C)(NCC(=O)NC1CCCC1)C(=O)[O-] ZINC000036808317 600152359 /nfs/dbraw/zinc/15/23/59/600152359.db2.gz CXUHREIFBFETNL-CYBMUJFWSA-N -1 1 256.346 1.278 20 0 CDADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccccn1 ZINC000113456619 600178893 /nfs/dbraw/zinc/17/88/93/600178893.db2.gz VXLKZVNFGQGMAP-UHFFFAOYSA-N -1 1 292.316 1.889 20 0 CDADMM CCC[C@@](C)(NCC(=O)N1CCCCCC1)C(=O)[O-] ZINC000036808445 600323593 /nfs/dbraw/zinc/32/35/93/600323593.db2.gz VMFWTYSEIPGQDI-CQSZACIVSA-N -1 1 270.373 1.622 20 0 CDADMM CN(C(=O)CN[C@](C)(C(=O)[O-])C1CC1)c1ccccc1 ZINC000830485499 601037039 /nfs/dbraw/zinc/03/70/39/601037039.db2.gz IIMILLORDAQXPW-HNNXBMFYSA-N -1 1 276.336 1.492 20 0 CDADMM Cc1cc(CN(C)Cc2ccnc(-c3nnn[n-]3)c2)no1 ZINC000826266341 607484768 /nfs/dbraw/zinc/48/47/68/607484768.db2.gz LQECTSHPFQXYEF-UHFFFAOYSA-N -1 1 285.311 1.190 20 0 CDADMM Cc1cc(CN(C)Cc2ccnc(-c3nn[n-]n3)c2)no1 ZINC000826266341 607484770 /nfs/dbraw/zinc/48/47/70/607484770.db2.gz LQECTSHPFQXYEF-UHFFFAOYSA-N -1 1 285.311 1.190 20 0 CDADMM CC(C)n1ccnc1CN(CCC(=O)[O-])C1CCOCC1 ZINC000827193087 601049628 /nfs/dbraw/zinc/04/96/28/601049628.db2.gz RRBJEAQASYQUJJ-UHFFFAOYSA-N -1 1 295.383 1.920 20 0 CDADMM CC(C)C[C@H]1CCN(Cn2cnc(C(=O)[O-])n2)C1 ZINC000826841018 601054416 /nfs/dbraw/zinc/05/44/16/601054416.db2.gz SWFYTYILHRUPCY-SNVBAGLBSA-N -1 1 252.318 1.302 20 0 CDADMM COC[C@@](C)(CC(=O)[O-])NCc1nc2ccccc2o1 ZINC000831585268 601136451 /nfs/dbraw/zinc/13/64/51/601136451.db2.gz LEVJTCXCPBVEGB-CQSZACIVSA-N -1 1 278.308 1.797 20 0 CDADMM C[C@@H](NC(=O)CN[C@](C)(C(=O)[O-])C1CC1)c1cccs1 ZINC000827635917 601174154 /nfs/dbraw/zinc/17/41/54/601174154.db2.gz IOIZPMGGPGWIHW-OTYXRUKQSA-N -1 1 296.392 1.768 20 0 CDADMM O=C([O-])c1cc(F)ccc1CN1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000833354765 601180694 /nfs/dbraw/zinc/18/06/94/601180694.db2.gz KXAYPXSUOXOWJX-NEPJUHHUSA-N -1 1 292.310 1.377 20 0 CDADMM Cn1cc(NC(=O)c2cccc3cn[nH]c32)cc1C(=O)[O-] ZINC000833051283 601323581 /nfs/dbraw/zinc/32/35/81/601323581.db2.gz RSIHRXYQADNCTN-UHFFFAOYSA-N -1 1 284.275 1.852 20 0 CDADMM O=C([O-])c1cn(CN2C[C@@H]3CCCC[C@@H]3C2)nn1 ZINC000833338525 601400799 /nfs/dbraw/zinc/40/07/99/601400799.db2.gz RCHONERQDSGDOO-AOOOYVTPSA-N -1 1 250.302 1.056 20 0 CDADMM Cc1cc(CC(=O)NC2CCC(C(=O)[O-])CC2)[nH]n1 ZINC000237593910 601680584 /nfs/dbraw/zinc/68/05/84/601680584.db2.gz DGLYQKHEDIDZAC-UHFFFAOYSA-N -1 1 265.313 1.020 20 0 CDADMM CCN1CCCC[C@@H]1C(=O)NCC(C)(C)C(=O)[O-] ZINC000829770163 601711806 /nfs/dbraw/zinc/71/18/06/601711806.db2.gz FMEQEBMSLXEGBL-SNVBAGLBSA-N -1 1 256.346 1.088 20 0 CDADMM C[C@H]1CN(C(=O)c2cccc3c[nH]nc32)C[C@H]1C(=O)[O-] ZINC000828401988 601759477 /nfs/dbraw/zinc/75/94/77/601759477.db2.gz MIFGHJPLIAUFSD-GZMMTYOYSA-N -1 1 273.292 1.356 20 0 CDADMM O=C([O-])CCC1CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC000091948327 601814507 /nfs/dbraw/zinc/81/45/07/601814507.db2.gz LSQWFBQGBLROBY-UHFFFAOYSA-N -1 1 265.313 1.056 20 0 CDADMM O=[S@@](Cc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826496258 607528650 /nfs/dbraw/zinc/52/86/50/607528650.db2.gz QAHXEJMCZWTBGZ-FQEVSTJZSA-N -1 1 285.332 1.570 20 0 CDADMM O=[S@@](Cc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826496258 607528651 /nfs/dbraw/zinc/52/86/51/607528651.db2.gz QAHXEJMCZWTBGZ-FQEVSTJZSA-N -1 1 285.332 1.570 20 0 CDADMM COC(=O)c1cc(F)ccc1CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000831250951 601914869 /nfs/dbraw/zinc/91/48/69/601914869.db2.gz FITZULSSQMPKGT-OAHLLOKOSA-N -1 1 295.310 1.909 20 0 CDADMM C[C@@]1(C(=O)[O-])CCN(Cc2cnn(-c3ccccc3)n2)C1 ZINC000086778756 601943411 /nfs/dbraw/zinc/94/34/11/601943411.db2.gz WUTVISWSSHYYIN-OAHLLOKOSA-N -1 1 286.335 1.564 20 0 CDADMM C[C@H](CC(=O)[O-])C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000827279661 602077332 /nfs/dbraw/zinc/07/73/32/602077332.db2.gz GCHXPOMDVCAZRD-MFKMUULPSA-N -1 1 296.342 1.655 20 0 CDADMM C[C@@H](N[C@@H](C)C(=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000818046115 602131047 /nfs/dbraw/zinc/13/10/47/602131047.db2.gz GWUQLVUSOUUIJR-ZJUUUORDSA-N -1 1 260.297 1.391 20 0 CDADMM CC(C)C[C@H](NC(=O)CN1CCC2(CCC2)C1)C(=O)[O-] ZINC000826786482 602239795 /nfs/dbraw/zinc/23/97/95/602239795.db2.gz NYDOHZMKCDFXQM-LBPRGKRZSA-N -1 1 282.384 1.478 20 0 CDADMM O=C([O-])NCC1(CN2CCOCC2)CCCCC1 ZINC000832447107 603510821 /nfs/dbraw/zinc/51/08/21/603510821.db2.gz JBCPKUIEXKHCDA-UHFFFAOYSA-N -1 1 256.346 1.537 20 0 CDADMM O=C([O-])N1CCC(NC(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000831598500 603957523 /nfs/dbraw/zinc/95/75/23/603957523.db2.gz KENGDHVGJJRRFI-JTQLQIEISA-N -1 1 292.339 1.088 20 0 CDADMM O=C([O-])c1csc(NC(=O)CCc2nc[nH]n2)c1 ZINC000833104287 604316329 /nfs/dbraw/zinc/31/63/29/604316329.db2.gz IYIUKBXDJCBRBF-UHFFFAOYSA-N -1 1 266.282 1.136 20 0 CDADMM C[C@H]1CCCN(C(=O)CN[C@@](C)(C(=O)[O-])C2CC2)C1 ZINC000833615090 604483905 /nfs/dbraw/zinc/48/39/05/604483905.db2.gz HVDHLMCPEWAHFS-IINYFYTJSA-N -1 1 268.357 1.088 20 0 CDADMM CCc1nc(NC(=O)[C@H](CC)N(C)C)sc1C(=O)[O-] ZINC000833675622 604493744 /nfs/dbraw/zinc/49/37/44/604493744.db2.gz XYNCOVMTUQEJHR-QMMMGPOBSA-N -1 1 285.369 1.682 20 0 CDADMM C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000820245601 604579886 /nfs/dbraw/zinc/57/98/86/604579886.db2.gz OSDRUOVXWACWAK-GHMZBOCLSA-N -1 1 276.336 1.549 20 0 CDADMM C[C@]1(C(=O)[O-])CCN(Cc2coc(C3CC3)n2)C1 ZINC000833554621 604675003 /nfs/dbraw/zinc/67/50/03/604675003.db2.gz CQMGXTZADGPOJW-ZDUSSCGKSA-N -1 1 250.298 1.849 20 0 CDADMM O=C([O-])[C@H](c1ccccc1)[N@H+]1CCOC2(CCOCC2)C1 ZINC000833173982 604683632 /nfs/dbraw/zinc/68/36/32/604683632.db2.gz YCIXPTJRRBPYNH-AWEZNQCLSA-N -1 1 291.347 1.694 20 0 CDADMM C[C@H](c1ccc(F)c(F)c1)N1CCC(O)(C(=O)[O-])CC1 ZINC000833549383 604726150 /nfs/dbraw/zinc/72/61/50/604726150.db2.gz XXVHNNRRIWQEOE-SECBINFHSA-N -1 1 285.290 1.937 20 0 CDADMM O=C([O-])[C@H](O)C1CCN(C[C@H](O)c2ccccc2F)CC1 ZINC000833770976 604981046 /nfs/dbraw/zinc/98/10/46/604981046.db2.gz SBABMHFWFVMPBV-UONOGXRCSA-N -1 1 297.326 1.017 20 0 CDADMM CCc1nc([C@H](C)NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)n[nH]1 ZINC000833674555 605024126 /nfs/dbraw/zinc/02/41/26/605024126.db2.gz TZCJPEIBZBTDBP-GUBZILKMSA-N -1 1 294.355 1.435 20 0 CDADMM CC[C@H](C)[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833639688 605720097 /nfs/dbraw/zinc/72/00/97/605720097.db2.gz XHPIWONVPRLPNL-NGZCFLSTSA-N -1 1 267.329 1.204 20 0 CDADMM COC(=O)c1ccc(F)c(CN(CC(=O)[O-])C2CC2)c1 ZINC000833716151 605840002 /nfs/dbraw/zinc/84/00/02/605840002.db2.gz SCOTYMTUQHQRFH-UHFFFAOYSA-N -1 1 281.283 1.661 20 0 CDADMM O=C(OCC(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000823396416 606136750 /nfs/dbraw/zinc/13/67/50/606136750.db2.gz IZPJCGNRKJPDMW-UHFFFAOYSA-N -1 1 260.225 1.350 20 0 CDADMM O=C(OCC(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000823396416 606136751 /nfs/dbraw/zinc/13/67/51/606136751.db2.gz IZPJCGNRKJPDMW-UHFFFAOYSA-N -1 1 260.225 1.350 20 0 CDADMM CSCCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821971214 606180744 /nfs/dbraw/zinc/18/07/44/606180744.db2.gz YVEPXQFLTBJDRP-UHFFFAOYSA-N -1 1 270.339 1.448 20 0 CDADMM CSCCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821971214 606180746 /nfs/dbraw/zinc/18/07/46/606180746.db2.gz YVEPXQFLTBJDRP-UHFFFAOYSA-N -1 1 270.339 1.448 20 0 CDADMM CCN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)C1CCC1 ZINC000821154302 606165114 /nfs/dbraw/zinc/16/51/14/606165114.db2.gz LONHWLORQQBAIS-UHFFFAOYSA-N -1 1 290.331 1.007 20 0 CDADMM CCN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)C1CCC1 ZINC000821154302 606165116 /nfs/dbraw/zinc/16/51/16/606165116.db2.gz LONHWLORQQBAIS-UHFFFAOYSA-N -1 1 290.331 1.007 20 0 CDADMM CCCCOCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000821072657 606295243 /nfs/dbraw/zinc/29/52/43/606295243.db2.gz VMAHPAKKQZRNOW-UHFFFAOYSA-N -1 1 291.311 1.328 20 0 CDADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)[C@H](C)CO1 ZINC000820778942 606449461 /nfs/dbraw/zinc/44/94/61/606449461.db2.gz ZFBSBKQQNCSEGA-HTQZYQBOSA-N -1 1 294.746 1.529 20 0 CDADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)[C@H](C)CO1 ZINC000820778942 606449463 /nfs/dbraw/zinc/44/94/63/606449463.db2.gz ZFBSBKQQNCSEGA-HTQZYQBOSA-N -1 1 294.746 1.529 20 0 CDADMM COC(=O)[C@@H](C)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821639021 606462456 /nfs/dbraw/zinc/46/24/56/606462456.db2.gz NEFAYOCOZWAELZ-LURJTMIESA-N -1 1 296.718 1.136 20 0 CDADMM COC(=O)[C@@H](C)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821639021 606462455 /nfs/dbraw/zinc/46/24/55/606462455.db2.gz NEFAYOCOZWAELZ-LURJTMIESA-N -1 1 296.718 1.136 20 0 CDADMM CN(C[C@@H]1CCCO1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821596972 606465061 /nfs/dbraw/zinc/46/50/61/606465061.db2.gz ZVEKQHSRVCPHQF-QMMMGPOBSA-N -1 1 294.746 1.530 20 0 CDADMM CN(C[C@@H]1CCCO1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821596972 606465062 /nfs/dbraw/zinc/46/50/62/606465062.db2.gz ZVEKQHSRVCPHQF-QMMMGPOBSA-N -1 1 294.746 1.530 20 0 CDADMM C[C@@H](Cc1ccncc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC000820308728 606479582 /nfs/dbraw/zinc/47/95/82/606479582.db2.gz XASZGZBLGUEBDL-JTQLQIEISA-N -1 1 281.323 1.700 20 0 CDADMM C[C@@H](Cc1ccncc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC000820308728 606479583 /nfs/dbraw/zinc/47/95/83/606479583.db2.gz XASZGZBLGUEBDL-JTQLQIEISA-N -1 1 281.323 1.700 20 0 CDADMM Cc1cnccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822399253 606555385 /nfs/dbraw/zinc/55/53/85/606555385.db2.gz DJPWLXHCPPZMPT-UHFFFAOYSA-N -1 1 286.320 1.306 20 0 CDADMM Cc1cnccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822399253 606555387 /nfs/dbraw/zinc/55/53/87/606555387.db2.gz DJPWLXHCPPZMPT-UHFFFAOYSA-N -1 1 286.320 1.306 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1C[C@H]2CCC[C@@H]21 ZINC000823483752 606568698 /nfs/dbraw/zinc/56/86/98/606568698.db2.gz LYMQSBBRRVQLAB-SFYZADRCSA-N -1 1 275.337 1.553 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1C[C@H]2CCC[C@@H]21 ZINC000823483752 606568699 /nfs/dbraw/zinc/56/86/99/606568699.db2.gz LYMQSBBRRVQLAB-SFYZADRCSA-N -1 1 275.337 1.553 20 0 CDADMM c1cc(-c2nc(C3CC3)no2)sc1-c1nnn[n-]1 ZINC000823738418 606620338 /nfs/dbraw/zinc/62/03/38/606620338.db2.gz UXRREKZGWJPSIJ-UHFFFAOYSA-N -1 1 260.282 1.856 20 0 CDADMM c1cc(-c2nc(C3CC3)no2)sc1-c1nn[n-]n1 ZINC000823738418 606620340 /nfs/dbraw/zinc/62/03/40/606620340.db2.gz UXRREKZGWJPSIJ-UHFFFAOYSA-N -1 1 260.282 1.856 20 0 CDADMM CCC1(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CCC1 ZINC000820949814 606650830 /nfs/dbraw/zinc/65/08/30/606650830.db2.gz GCGNWPFFTSSWKV-UHFFFAOYSA-N -1 1 287.323 1.885 20 0 CDADMM CCC1(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CCC1 ZINC000820949814 606650831 /nfs/dbraw/zinc/65/08/31/606650831.db2.gz GCGNWPFFTSSWKV-UHFFFAOYSA-N -1 1 287.323 1.885 20 0 CDADMM C=C/C=C\CCNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001602807845 1175411346 /nfs/dbraw/zinc/41/13/46/1175411346.db2.gz RDHZURBHKGQXQV-PLNGDYQASA-N -1 1 273.296 1.630 20 0 CDADMM C=C/C=C\CCNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001602807845 1175411349 /nfs/dbraw/zinc/41/13/49/1175411349.db2.gz RDHZURBHKGQXQV-PLNGDYQASA-N -1 1 273.296 1.630 20 0 CDADMM C[C@@H]1[C@H](C)OCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820821414 607066652 /nfs/dbraw/zinc/06/66/52/607066652.db2.gz SSZHFEAEYNVRGH-SFYZADRCSA-N -1 1 293.352 1.178 20 0 CDADMM C[C@@H]1[C@H](C)OCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820821414 607066653 /nfs/dbraw/zinc/06/66/53/607066653.db2.gz SSZHFEAEYNVRGH-SFYZADRCSA-N -1 1 293.352 1.178 20 0 CDADMM CC[C@H](CCOC)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825114068 607836789 /nfs/dbraw/zinc/83/67/89/607836789.db2.gz JAMVDNMURVCWAB-SNVBAGLBSA-N -1 1 291.311 1.234 20 0 CDADMM CC[C@H](CCOC)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825114068 607836790 /nfs/dbraw/zinc/83/67/90/607836790.db2.gz JAMVDNMURVCWAB-SNVBAGLBSA-N -1 1 291.311 1.234 20 0 CDADMM COCC[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826153864 607837619 /nfs/dbraw/zinc/83/76/19/607837619.db2.gz BTYISWIHCAZIRM-SSDOTTSWSA-N -1 1 282.325 1.510 20 0 CDADMM COCC[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826153864 607837620 /nfs/dbraw/zinc/83/76/20/607837620.db2.gz BTYISWIHCAZIRM-SSDOTTSWSA-N -1 1 282.325 1.510 20 0 CDADMM Clc1cc(-c2nn[nH]n2)ccc1SCc1nn[n-]n1 ZINC000826350770 607844925 /nfs/dbraw/zinc/84/49/25/607844925.db2.gz KLTMVYXKJBAIDJ-UHFFFAOYSA-N -1 1 294.731 1.326 20 0 CDADMM Cc1cc(Oc2cccc(F)c2-c2nnn[n-]2)ncn1 ZINC000826271856 607866736 /nfs/dbraw/zinc/86/67/36/607866736.db2.gz KIPNPAPGNXAOBH-UHFFFAOYSA-N -1 1 272.243 1.897 20 0 CDADMM Cc1cc(Oc2cccc(F)c2-c2nn[n-]n2)ncn1 ZINC000826271856 607866737 /nfs/dbraw/zinc/86/67/37/607866737.db2.gz KIPNPAPGNXAOBH-UHFFFAOYSA-N -1 1 272.243 1.897 20 0 CDADMM CCCOC(=O)CCNc1cccc(-c2nnn[n-]2)n1 ZINC000825338552 607899184 /nfs/dbraw/zinc/89/91/84/607899184.db2.gz CJKFEIYSASCREA-UHFFFAOYSA-N -1 1 276.300 1.017 20 0 CDADMM CCCOC(=O)CCNc1cccc(-c2nn[n-]n2)n1 ZINC000825338552 607899185 /nfs/dbraw/zinc/89/91/85/607899185.db2.gz CJKFEIYSASCREA-UHFFFAOYSA-N -1 1 276.300 1.017 20 0 CDADMM C[C@@H]1[C@@H](C)CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000095255218 607899322 /nfs/dbraw/zinc/89/93/22/607899322.db2.gz IULMCVHKFDPCGY-VHSXEESVSA-N -1 1 258.329 1.887 20 0 CDADMM C[C@@H]1[C@@H](C)CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000095255218 607899323 /nfs/dbraw/zinc/89/93/23/607899323.db2.gz IULMCVHKFDPCGY-VHSXEESVSA-N -1 1 258.329 1.887 20 0 CDADMM c1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826521145 607987635 /nfs/dbraw/zinc/98/76/35/607987635.db2.gz BNZPXIUGJFSLLF-UHFFFAOYSA-N -1 1 253.269 1.269 20 0 CDADMM c1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826521145 607987636 /nfs/dbraw/zinc/98/76/36/607987636.db2.gz BNZPXIUGJFSLLF-UHFFFAOYSA-N -1 1 253.269 1.269 20 0 CDADMM c1csc(-c2cc(Cn3ccnc3-c3nnn[n-]3)no2)c1 ZINC000826526135 608013057 /nfs/dbraw/zinc/01/30/57/608013057.db2.gz MHNDGMMSPMLAKH-UHFFFAOYSA-N -1 1 299.319 1.828 20 0 CDADMM c1csc(-c2cc(Cn3ccnc3-c3nn[n-]n3)no2)c1 ZINC000826526135 608013058 /nfs/dbraw/zinc/01/30/58/608013058.db2.gz MHNDGMMSPMLAKH-UHFFFAOYSA-N -1 1 299.319 1.828 20 0 CDADMM O=C(N[C@@H]1CC12CCCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC000826429189 608165791 /nfs/dbraw/zinc/16/57/91/608165791.db2.gz WMKAKODGAWZDEU-GFCCVEGCSA-N -1 1 298.350 1.714 20 0 CDADMM O=C(N[C@@H]1CC12CCCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC000826429189 608165793 /nfs/dbraw/zinc/16/57/93/608165793.db2.gz WMKAKODGAWZDEU-GFCCVEGCSA-N -1 1 298.350 1.714 20 0 CDADMM CCOCCN(C)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000825594196 608241250 /nfs/dbraw/zinc/24/12/50/608241250.db2.gz ITURGQDUCMYWCZ-UHFFFAOYSA-N -1 1 298.350 1.888 20 0 CDADMM CCOCCN(C)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000825594196 608241251 /nfs/dbraw/zinc/24/12/51/608241251.db2.gz ITURGQDUCMYWCZ-UHFFFAOYSA-N -1 1 298.350 1.888 20 0 CDADMM c1ccc2c(c1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2 ZINC000826523140 608402527 /nfs/dbraw/zinc/40/25/27/608402527.db2.gz BSFUGRKVFVRHFG-UHFFFAOYSA-N -1 1 295.306 1.056 20 0 CDADMM c1ccc2c(c1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2 ZINC000826523140 608402528 /nfs/dbraw/zinc/40/25/28/608402528.db2.gz BSFUGRKVFVRHFG-UHFFFAOYSA-N -1 1 295.306 1.056 20 0 CDADMM CC(C)CC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824245280 608404584 /nfs/dbraw/zinc/40/45/84/608404584.db2.gz XJFUIBSBGYUFPX-SECBINFHSA-N -1 1 261.333 1.893 20 0 CDADMM CC(C)CC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824245280 608404586 /nfs/dbraw/zinc/40/45/86/608404586.db2.gz XJFUIBSBGYUFPX-SECBINFHSA-N -1 1 261.333 1.893 20 0 CDADMM CO[C@H]1CCC[C@@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC000826145270 608416844 /nfs/dbraw/zinc/41/68/44/608416844.db2.gz CQYWIGFGQZWLBF-KOLCDFICSA-N -1 1 274.328 1.489 20 0 CDADMM CO[C@H]1CCC[C@@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC000826145270 608416845 /nfs/dbraw/zinc/41/68/45/608416845.db2.gz CQYWIGFGQZWLBF-KOLCDFICSA-N -1 1 274.328 1.489 20 0 CDADMM c1cc2cc(Nc3ccc(-c4nnn[n-]4)nn3)ccc2[nH]1 ZINC000826518617 608418715 /nfs/dbraw/zinc/41/87/15/608418715.db2.gz SYUVIUCRXZQKAB-UHFFFAOYSA-N -1 1 278.279 1.882 20 0 CDADMM c1cc2cc(Nc3ccc(-c4nn[n-]n4)nn3)ccc2[nH]1 ZINC000826518617 608418716 /nfs/dbraw/zinc/41/87/16/608418716.db2.gz SYUVIUCRXZQKAB-UHFFFAOYSA-N -1 1 278.279 1.882 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCCCCC1 ZINC000826280645 608541320 /nfs/dbraw/zinc/54/13/20/608541320.db2.gz JXCZIFXBIZCWPM-UHFFFAOYSA-N -1 1 258.329 1.951 20 0 CDADMM CO[C@@H]1[C@@H](C)[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1(C)C ZINC000826144102 608587922 /nfs/dbraw/zinc/58/79/22/608587922.db2.gz BGZFXINBSBXEAR-WHGOUJPWSA-N -1 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CDADMM C[C@H](CC(=O)[O-])CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000911384956 629248766 /nfs/dbraw/zinc/24/87/66/629248766.db2.gz MIZSMHLLFPRGKG-WCBMZHEXSA-N -1 1 265.313 1.404 20 0 CDADMM C[C@@H]1CN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2)CC(C)(C)C1 ZINC000911408323 629275876 /nfs/dbraw/zinc/27/58/76/629275876.db2.gz TWBLDLNHCNAMGF-QWHCGFSZSA-N -1 1 296.411 1.678 20 0 CDADMM CCCN(C(=O)c1ccc2[nH]nnc2c1)[C@H](C)C(=O)[O-] ZINC000911714550 629431117 /nfs/dbraw/zinc/43/11/17/629431117.db2.gz RUMQXENHRHLQAL-MRVPVSSYSA-N -1 1 276.296 1.283 20 0 CDADMM O=C(c1ncccc1[O-])N1CCC[C@@H]1c1ncccn1 ZINC000912646072 630133569 /nfs/dbraw/zinc/13/35/69/630133569.db2.gz DUPZMSBAOGLTLV-SNVBAGLBSA-N -1 1 270.292 1.555 20 0 CDADMM C[C@H]1C(=O)N([N-]C(=O)C2(C(F)(F)F)CCC2)C(=O)N1C ZINC000912818768 630228231 /nfs/dbraw/zinc/22/82/31/630228231.db2.gz IPCHGTIWECGADE-LURJTMIESA-N -1 1 293.245 1.033 20 0 CDADMM C[C@H]1C(=O)N([N-]C(=O)c2sccc2C2CC2)C(=O)N1C ZINC000912825024 630231560 /nfs/dbraw/zinc/23/15/60/630231560.db2.gz ZSCOLXNROAFGGI-ZETCQYMHSA-N -1 1 293.348 1.553 20 0 CDADMM CCCCCC(=O)N[C@@H](CCSC)c1nn[n-]n1 ZINC000912859708 630247812 /nfs/dbraw/zinc/24/78/12/630247812.db2.gz DSSGQIZPPFNAHC-VIFPVBQESA-N -1 1 271.390 1.690 20 0 CDADMM CSCC[C@H](NC(=O)[C@H](C)C1CCC1)c1nn[n-]n1 ZINC000912862935 630251935 /nfs/dbraw/zinc/25/19/35/630251935.db2.gz FQQQEDCQSRVOEF-SCZZXKLOSA-N -1 1 283.401 1.546 20 0 CDADMM C[C@H](CC1CCCC1)C(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913494631 630501306 /nfs/dbraw/zinc/50/13/06/630501306.db2.gz HOLWGYMKLALIHU-PWSUYJOCSA-N -1 1 293.371 1.316 20 0 CDADMM CC(C)C[C@@H](C)CC(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913495302 630502124 /nfs/dbraw/zinc/50/21/24/630502124.db2.gz UUMQBXCVQPCJPX-MNOVXSKESA-N -1 1 281.360 1.172 20 0 CDADMM CC1CCN(C(=O)CN[C@H](C(=O)[O-])C(C)(C)C)CC1 ZINC000828277357 630695435 /nfs/dbraw/zinc/69/54/35/630695435.db2.gz JXANBKNWFYATAN-GFCCVEGCSA-N -1 1 270.373 1.334 20 0 CDADMM O=Cc1ccc(C(=O)N2CCC(c3nn[n-]n3)CC2)s1 ZINC000913746733 630744545 /nfs/dbraw/zinc/74/45/45/630744545.db2.gz FYVFWFWXDCGPOV-UHFFFAOYSA-N -1 1 291.336 1.094 20 0 CDADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H]1C=CCC1 ZINC000914281092 631307966 /nfs/dbraw/zinc/30/79/66/631307966.db2.gz IOAIWBREWQQAGX-SECBINFHSA-N -1 1 279.365 1.909 20 0 CDADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1ccc[n+]([O-])c1 ZINC000031564826 631367895 /nfs/dbraw/zinc/36/78/95/631367895.db2.gz GALIXKPVXAMICK-UHFFFAOYSA-N -1 1 290.226 1.443 20 0 CDADMM CC(C)[C@H](NCC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C(=O)[O-] ZINC000035391784 632082226 /nfs/dbraw/zinc/08/22/26/632082226.db2.gz MSOHIDODZSNMKF-YDHLFZDLSA-N -1 1 296.411 1.866 20 0 CDADMM CC1CCN(CCNC(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC000917514963 632232694 /nfs/dbraw/zinc/23/26/94/632232694.db2.gz UBRPNZDWRJVTDR-UHFFFAOYSA-N -1 1 296.392 1.908 20 0 CDADMM O=c1[n-]c2nc(=O)[nH]c(Nc3ccc4ccncc4n3)c2[nH]1 ZINC001170218690 1162303285 /nfs/dbraw/zinc/30/32/85/1162303285.db2.gz PCRCJTWHCHRSNO-UHFFFAOYSA-N -1 1 295.262 1.403 20 0 CDADMM Cc1ncc(Cl)nc1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170227136 1162316260 /nfs/dbraw/zinc/31/62/60/1162316260.db2.gz ZLCHAGVTMSTCCK-UHFFFAOYSA-N -1 1 277.675 1.554 20 0 CDADMM COc1ncnc(Cl)c1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170228466 1162317965 /nfs/dbraw/zinc/31/79/65/1162317965.db2.gz FRCHBDMKAXOBPX-UHFFFAOYSA-N -1 1 293.674 1.254 20 0 CDADMM C[C@H]1c2ccc(Nc3[n-]c(=O)nc4nc[nH]c43)cc2NC1=O ZINC001170227986 1162318252 /nfs/dbraw/zinc/31/82/52/1162318252.db2.gz ZFDXPQAXNUZCON-LURJTMIESA-N -1 1 296.290 1.858 20 0 CDADMM O=C(COC(=O)c1cn[n-]n1)c1cnn(-c2ccccc2)c1 ZINC000805607494 1162586006 /nfs/dbraw/zinc/58/60/06/1162586006.db2.gz LYSXZUVEJVELEU-UHFFFAOYSA-N -1 1 297.274 1.030 20 0 CDADMM CCCc1nc(COC(=O)c2cn[n-]n2)cs1 ZINC000805604820 1162586022 /nfs/dbraw/zinc/58/60/22/1162586022.db2.gz GUEQMRKYCNOWDJ-UHFFFAOYSA-N -1 1 252.299 1.571 20 0 CDADMM Cc1cc2c(c(-c3cc(F)nc(F)c3)n1)C(=O)[N-]C2=O ZINC001243975120 1162718904 /nfs/dbraw/zinc/71/89/04/1162718904.db2.gz VJOOTDHUJYKKET-UHFFFAOYSA-N -1 1 275.214 1.614 20 0 CDADMM C[C@@H](CNC(=O)[C@@H](N)Cc1cc2ccccc2o1)C(=O)[O-] ZINC001604171691 1163115705 /nfs/dbraw/zinc/11/57/05/1163115705.db2.gz FMGHLEQVOURPKS-CABZTGNLSA-N -1 1 290.319 1.140 20 0 CDADMM CCN(C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001604270763 1163139167 /nfs/dbraw/zinc/13/91/67/1163139167.db2.gz LODJPAWUYOLXJC-UHFFFAOYSA-N -1 1 266.330 1.090 20 0 CDADMM C[C@@H](N[C@@H](C(=O)[O-])C1CC1)C(=O)NC1CCCCC1 ZINC001604320297 1163147822 /nfs/dbraw/zinc/14/78/22/1163147822.db2.gz XFTYEHSQCBMYGI-BXKDBHETSA-N -1 1 268.357 1.277 20 0 CDADMM CCN(Cc1ccccc1)c1cncc(-c2nnn[n-]2)n1 ZINC001604325276 1163149615 /nfs/dbraw/zinc/14/96/15/1163149615.db2.gz YKBJITBGNDOXKY-UHFFFAOYSA-N -1 1 281.323 1.683 20 0 CDADMM CCN(Cc1ccccc1)c1cncc(-c2nn[n-]n2)n1 ZINC001604325276 1163149620 /nfs/dbraw/zinc/14/96/20/1163149620.db2.gz YKBJITBGNDOXKY-UHFFFAOYSA-N -1 1 281.323 1.683 20 0 CDADMM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)OC[C@@H](C)O)n1 ZINC000792308534 1162272992 /nfs/dbraw/zinc/27/29/92/1162272992.db2.gz OUCGSXYRJGLEBL-SECBINFHSA-N -1 1 294.282 1.563 20 0 CDADMM CCOCCN(CC)c1cc(C)nc(-c2nnn[n-]2)c1 ZINC001604429434 1163186707 /nfs/dbraw/zinc/18/67/07/1163186707.db2.gz RCPGTBWQDMVTOC-UHFFFAOYSA-N -1 1 276.344 1.433 20 0 CDADMM CCOCCN(CC)c1cc(C)nc(-c2nn[n-]n2)c1 ZINC001604429434 1163186710 /nfs/dbraw/zinc/18/67/10/1163186710.db2.gz RCPGTBWQDMVTOC-UHFFFAOYSA-N -1 1 276.344 1.433 20 0 CDADMM CCSC1(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001604478084 1163196195 /nfs/dbraw/zinc/19/61/95/1163196195.db2.gz IJBOPGJYXLRXRD-UHFFFAOYSA-N -1 1 277.357 1.354 20 0 CDADMM CCSC1(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001604478084 1163196201 /nfs/dbraw/zinc/19/62/01/1163196201.db2.gz IJBOPGJYXLRXRD-UHFFFAOYSA-N -1 1 277.357 1.354 20 0 CDADMM C[C@@H](c1nc(C(=O)[O-])co1)N1CC[C@H](C2OCCO2)C1 ZINC001604476797 1163196442 /nfs/dbraw/zinc/19/64/42/1163196442.db2.gz GETBDZASESKJLJ-IUCAKERBSA-N -1 1 282.296 1.129 20 0 CDADMM C[C@H](c1nc(C(=O)[O-])co1)N1CC[C@H]2COC[C@@H]2C1 ZINC001604476668 1163197325 /nfs/dbraw/zinc/19/73/25/1163197325.db2.gz DCMTXUKNSDYFQK-UTLUCORTSA-N -1 1 266.297 1.402 20 0 CDADMM CCc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)s1 ZINC001604524440 1163217326 /nfs/dbraw/zinc/21/73/26/1163217326.db2.gz JVWZVOURLPLIHU-UHFFFAOYSA-N -1 1 287.352 1.315 20 0 CDADMM CCc1noc(C)c1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001604586437 1163239754 /nfs/dbraw/zinc/23/97/54/1163239754.db2.gz KWIWKWWQTANFAB-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CCc1noc(C)c1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001604586437 1163239757 /nfs/dbraw/zinc/23/97/57/1163239757.db2.gz KWIWKWWQTANFAB-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM COC1([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)o2)CCC1 ZINC001605017340 1163417850 /nfs/dbraw/zinc/41/78/50/1163417850.db2.gz SSJZPDGVYVYFBE-QMMMGPOBSA-N -1 1 291.311 1.147 20 0 CDADMM COC1([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)o2)CCC1 ZINC001605017340 1163417855 /nfs/dbraw/zinc/41/78/55/1163417855.db2.gz SSJZPDGVYVYFBE-QMMMGPOBSA-N -1 1 291.311 1.147 20 0 CDADMM CO[C@@H]1CC[C@H](C)N(c2ccc(C)c(-c3nnn[n-]3)n2)C1 ZINC001605026985 1163421418 /nfs/dbraw/zinc/42/14/18/1163421418.db2.gz RJKMJSOGMLABAZ-WDEREUQCSA-N -1 1 288.355 1.574 20 0 CDADMM CO[C@@H]1CC[C@H](C)N(c2ccc(C)c(-c3nn[n-]n3)n2)C1 ZINC001605026985 1163421420 /nfs/dbraw/zinc/42/14/20/1163421420.db2.gz RJKMJSOGMLABAZ-WDEREUQCSA-N -1 1 288.355 1.574 20 0 CDADMM COCCC(C)(C)CNc1cccc(-c2nnn[n-]2)n1 ZINC001605079321 1163444043 /nfs/dbraw/zinc/44/40/43/1163444043.db2.gz RVHVSBOGLPOPSK-UHFFFAOYSA-N -1 1 276.344 1.736 20 0 CDADMM COCCC(C)(C)CNc1cccc(-c2nn[n-]n2)n1 ZINC001605079321 1163444046 /nfs/dbraw/zinc/44/40/46/1163444046.db2.gz RVHVSBOGLPOPSK-UHFFFAOYSA-N -1 1 276.344 1.736 20 0 CDADMM CC[C@]1(C(=O)[O-])CCC[N@@H+](CC2(CC(=O)[O-])CC2)C1 ZINC001605135205 1163464325 /nfs/dbraw/zinc/46/43/25/1163464325.db2.gz IMMHTTPTZWBUAI-AWEZNQCLSA-N -1 1 269.341 1.818 20 0 CDADMM COc1ccncc1CNc1cccc(-c2nn[n-]n2)n1 ZINC001605338391 1163529915 /nfs/dbraw/zinc/52/99/15/1163529915.db2.gz MNGKAFDQYJPYAR-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM CCN(CC(=O)[O-])C(=O)[C@H](N)Cc1cc2ccccc2o1 ZINC001605412332 1163554792 /nfs/dbraw/zinc/55/47/92/1163554792.db2.gz GGIDLYDXZKAIFW-GFCCVEGCSA-N -1 1 290.319 1.236 20 0 CDADMM C[C@@]12CN(c3cc(-c4nnn[n-]4)ncn3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC001605433247 1163561429 /nfs/dbraw/zinc/56/14/29/1163561429.db2.gz SGOLFOYAIPJLDW-LMCGPQHNSA-N -1 1 295.350 1.305 20 0 CDADMM C[C@@]12CN(c3cc(-c4nn[n-]n4)ncn3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC001605433247 1163561438 /nfs/dbraw/zinc/56/14/38/1163561438.db2.gz SGOLFOYAIPJLDW-LMCGPQHNSA-N -1 1 295.350 1.305 20 0 CDADMM C[C@H]1COC(C)(C)C[N@@H+]1Cc1cc(-c2nn[nH]n2)cs1 ZINC001605445691 1163568327 /nfs/dbraw/zinc/56/83/27/1163568327.db2.gz WHINUCIODRCLSW-VIFPVBQESA-N -1 1 293.396 1.928 20 0 CDADMM C[C@H]1COC(C)(C)C[N@H+]1Cc1cc(-c2nn[nH]n2)cs1 ZINC001605445691 1163568332 /nfs/dbraw/zinc/56/83/32/1163568332.db2.gz WHINUCIODRCLSW-VIFPVBQESA-N -1 1 293.396 1.928 20 0 CDADMM CCN(Cc1ccccc1CC(=O)[O-])[C@H]1CCNC1=O ZINC001605459345 1163571494 /nfs/dbraw/zinc/57/14/94/1163571494.db2.gz YXIMDZNYLHDMPP-ZDUSSCGKSA-N -1 1 276.336 1.024 20 0 CDADMM Cc1c(Nc2cc(-c3nnn[n-]3)ncn2)cccc1N(C)C ZINC001605499969 1163587201 /nfs/dbraw/zinc/58/72/01/1163587201.db2.gz IGORHMYZAMXWIB-UHFFFAOYSA-N -1 1 296.338 1.775 20 0 CDADMM Cc1c(Nc2cc(-c3nn[n-]n3)ncn2)cccc1N(C)C ZINC001605499969 1163587206 /nfs/dbraw/zinc/58/72/06/1163587206.db2.gz IGORHMYZAMXWIB-UHFFFAOYSA-N -1 1 296.338 1.775 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC2(C3(C)CC3)CC2)n1 ZINC001605568075 1163612614 /nfs/dbraw/zinc/61/26/14/1163612614.db2.gz DWJUMKGZCBVLSN-UHFFFAOYSA-N -1 1 271.328 1.710 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC2(C3(C)CC3)CC2)n1 ZINC001605568075 1163612619 /nfs/dbraw/zinc/61/26/19/1163612619.db2.gz DWJUMKGZCBVLSN-UHFFFAOYSA-N -1 1 271.328 1.710 20 0 CDADMM Cc1nc(C)c(CC(=O)[N-]OC/C=C/Cl)c(=O)[nH]1 ZINC000812400641 1163620187 /nfs/dbraw/zinc/62/01/87/1163620187.db2.gz AREXJKLSCDUAKU-ONEGZZNKSA-N -1 1 271.704 1.142 20 0 CDADMM CCO[C@@H]1C[C@@](NCc2cnn(CC)n2)(C(=O)[O-])C1(C)C ZINC001605606543 1163621694 /nfs/dbraw/zinc/62/16/94/1163621694.db2.gz VAULBBMBWXWSPS-BXUZGUMPSA-N -1 1 296.371 1.046 20 0 CDADMM Cc1nsc(NCc2cc(C)ncn2)c1-c1nn[n-]n1 ZINC001605661572 1163638594 /nfs/dbraw/zinc/63/85/94/1163638594.db2.gz ADFRYLAPAJLVBK-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM CCOc1cc(C(=O)[O-])ccc1NC(=O)Cc1cnc[nH]1 ZINC001605662482 1163639181 /nfs/dbraw/zinc/63/91/81/1163639181.db2.gz CVJDJIHYEGOKAZ-UHFFFAOYSA-N -1 1 289.291 1.688 20 0 CDADMM Cc1cc(N2CCSC[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001605698172 1163644248 /nfs/dbraw/zinc/64/42/48/1163644248.db2.gz LBPXPNSFDJXTAX-SECBINFHSA-N -1 1 276.369 1.512 20 0 CDADMM Cc1cc(N2CCSC[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001605698172 1163644251 /nfs/dbraw/zinc/64/42/51/1163644251.db2.gz LBPXPNSFDJXTAX-SECBINFHSA-N -1 1 276.369 1.512 20 0 CDADMM CCOc1cccc(F)c1CN1CC[C@](O)(C(=O)[O-])C1 ZINC001605707963 1163647614 /nfs/dbraw/zinc/64/76/14/1163647614.db2.gz XLRBPBLABODBKI-CQSZACIVSA-N -1 1 283.299 1.246 20 0 CDADMM Cc1cc(=O)[nH]cc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001605744566 1163657752 /nfs/dbraw/zinc/65/77/52/1163657752.db2.gz IVXGKRUREJRULC-UHFFFAOYSA-N -1 1 286.251 1.121 20 0 CDADMM Cc1cc(=O)[nH]cc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001605744566 1163657757 /nfs/dbraw/zinc/65/77/57/1163657757.db2.gz IVXGKRUREJRULC-UHFFFAOYSA-N -1 1 286.251 1.121 20 0 CDADMM Cc1ccc(N2CC[C@H](C)[C@H](CO)C2)nc1-c1nnn[n-]1 ZINC001605864547 1163696672 /nfs/dbraw/zinc/69/66/72/1163696672.db2.gz IFLKJJPGYGFQLZ-ONGXEEELSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(N2CC[C@H](C)[C@H](CO)C2)nc1-c1nn[n-]n1 ZINC001605864547 1163696674 /nfs/dbraw/zinc/69/66/74/1163696674.db2.gz IFLKJJPGYGFQLZ-ONGXEEELSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(N[C@H]2CCCC[C@@H]2O)nc1-c1nnn[n-]1 ZINC001605875235 1163702648 /nfs/dbraw/zinc/70/26/48/1163702648.db2.gz DXXHTQPLWMKWKX-UWVGGRQHSA-N -1 1 274.328 1.286 20 0 CDADMM Cc1ccc(N[C@H]2CCCC[C@@H]2O)nc1-c1nn[n-]n1 ZINC001605875235 1163702651 /nfs/dbraw/zinc/70/26/51/1163702651.db2.gz DXXHTQPLWMKWKX-UWVGGRQHSA-N -1 1 274.328 1.286 20 0 CDADMM CCc1oc(CNCCCS(C)(=O)=O)cc1C(=O)[O-] ZINC001605890958 1163708529 /nfs/dbraw/zinc/70/85/29/1163708529.db2.gz WBSQPBGEJMLPOR-UHFFFAOYSA-N -1 1 289.353 1.065 20 0 CDADMM Cc1ccoc1CNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001606076960 1163765833 /nfs/dbraw/zinc/76/58/33/1163765833.db2.gz MJLOSVLJEKJAFM-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1ccoc1CNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001606076960 1163765835 /nfs/dbraw/zinc/76/58/35/1163765835.db2.gz MJLOSVLJEKJAFM-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM CN(Cc1cnc[nH]1)Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001606146136 1163786982 /nfs/dbraw/zinc/78/69/82/1163786982.db2.gz STXPLDSXWATSAC-UHFFFAOYSA-N -1 1 285.307 1.616 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@@H](C)[C@H]1C ZINC001606165192 1163794895 /nfs/dbraw/zinc/79/48/95/1163794895.db2.gz ACLUWRWJAJUWOA-RNFRBKRXSA-N -1 1 261.285 1.249 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@@H](C)[C@H]1C ZINC001606165192 1163794898 /nfs/dbraw/zinc/79/48/98/1163794898.db2.gz ACLUWRWJAJUWOA-RNFRBKRXSA-N -1 1 261.285 1.249 20 0 CDADMM CN(Cc1nccn1C)C[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001606177248 1163799925 /nfs/dbraw/zinc/79/99/25/1163799925.db2.gz UTNGYSFDKNNGQK-VXGBXAGGSA-N -1 1 265.357 1.743 20 0 CDADMM Clc1sc(N2Cc3c[nH]nc3C2)nc1-c1nn[n-]n1 ZINC001606200790 1163806122 /nfs/dbraw/zinc/80/61/22/1163806122.db2.gz GCAAMVOAJUAZMF-UHFFFAOYSA-N -1 1 294.731 1.220 20 0 CDADMM CN1CC2(C1)CCN(C(=O)C1(C(=O)[O-])CC3(CCC3)C1)C2 ZINC001606209028 1163813556 /nfs/dbraw/zinc/81/35/56/1163813556.db2.gz PDSVEMLGGFSFEM-UHFFFAOYSA-N -1 1 292.379 1.186 20 0 CDADMM FC(F)[C@@H]1CCCCN1Cc1cccc(-c2nnn[n-]2)n1 ZINC001606296145 1163842048 /nfs/dbraw/zinc/84/20/48/1163842048.db2.gz APYXBUMXMIDQMQ-NSHDSACASA-N -1 1 294.309 1.881 20 0 CDADMM FC(F)[C@@H]1CCCCN1Cc1cccc(-c2nn[n-]n2)n1 ZINC001606296145 1163842049 /nfs/dbraw/zinc/84/20/49/1163842049.db2.gz APYXBUMXMIDQMQ-NSHDSACASA-N -1 1 294.309 1.881 20 0 CDADMM Fc1ccc(Oc2cc(F)ncn2)c(-c2nn[n-]n2)n1 ZINC001606313590 1163856469 /nfs/dbraw/zinc/85/64/69/1163856469.db2.gz SBIGDUHLRKSQKU-UHFFFAOYSA-N -1 1 277.194 1.122 20 0 CDADMM O=C(NC1CC2(CC2(F)F)C1)c1ccc(-c2nnn[n-]2)o1 ZINC001606654882 1163947642 /nfs/dbraw/zinc/94/76/42/1163947642.db2.gz RULWVJNXNCIKDC-UHFFFAOYSA-N -1 1 295.249 1.377 20 0 CDADMM O=C(NC1CC2(CC2(F)F)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001606654882 1163947647 /nfs/dbraw/zinc/94/76/47/1163947647.db2.gz RULWVJNXNCIKDC-UHFFFAOYSA-N -1 1 295.249 1.377 20 0 CDADMM CO[C@@H]1CCC[C@H]([C@H](NCc2cnsn2)C(=O)[O-])C1 ZINC001606738348 1163977744 /nfs/dbraw/zinc/97/77/44/1163977744.db2.gz CPWFYDCAOADGFW-GDPRMGEGSA-N -1 1 285.369 1.286 20 0 CDADMM O[C@@H]1[C@@H](Nc2cccc(-c3nnn[n-]3)n2)CCCC1(F)F ZINC001607108018 1164086935 /nfs/dbraw/zinc/08/69/35/1164086935.db2.gz LCLYDDJGTYUOSQ-OIBJUYFYSA-N -1 1 296.281 1.222 20 0 CDADMM O[C@@H]1[C@@H](Nc2cccc(-c3nn[n-]n3)n2)CCCC1(F)F ZINC001607108018 1164086942 /nfs/dbraw/zinc/08/69/42/1164086942.db2.gz LCLYDDJGTYUOSQ-OIBJUYFYSA-N -1 1 296.281 1.222 20 0 CDADMM c1[nH]nc(NCc2ccc3cnccc3c2)c1-c1nnn[n-]1 ZINC001607123860 1164106092 /nfs/dbraw/zinc/10/60/92/1164106092.db2.gz XRWQNWZROJCTNR-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1[nH]nc(NCc2ccc3cnccc3c2)c1-c1nn[n-]n1 ZINC001607123860 1164106097 /nfs/dbraw/zinc/10/60/97/1164106097.db2.gz XRWQNWZROJCTNR-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1c(-c2nn[n-]n2)nnn1CCCc1ccccc1 ZINC001607128364 1164107524 /nfs/dbraw/zinc/10/75/24/1164107524.db2.gz MHHPSJIRISVRMF-UHFFFAOYSA-N -1 1 255.285 1.091 20 0 CDADMM Cc1cccc(CNC(=O)CN[C@@](C)(CCF)C(=O)[O-])c1 ZINC001607852546 1164313041 /nfs/dbraw/zinc/31/30/41/1164313041.db2.gz MZIBLNDOGQECAX-HNNXBMFYSA-N -1 1 296.342 1.404 20 0 CDADMM Cc1nc2c(cccc2C(=O)N2CC[C@@H]2C(=O)[O-])[nH]1 ZINC001607968938 1164355845 /nfs/dbraw/zinc/35/58/45/1164355845.db2.gz YFVXPHMWHGRVHA-SNVBAGLBSA-N -1 1 259.265 1.170 20 0 CDADMM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCO[C@@]2(CCOC2)C1 ZINC001608560863 1164546680 /nfs/dbraw/zinc/54/66/80/1164546680.db2.gz FSINZHGMZPKHFV-HIFRSBDPSA-N -1 1 295.310 1.443 20 0 CDADMM O=C([O-])[C@H]1[C@@H](O)CCCN1CCOc1ccc(Cl)cc1 ZINC001608594956 1164562984 /nfs/dbraw/zinc/56/29/84/1164562984.db2.gz KJGUOFCWAREXBX-QWHCGFSZSA-N -1 1 299.754 1.629 20 0 CDADMM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)c1ncn[nH]1 ZINC001608705704 1164612723 /nfs/dbraw/zinc/61/27/23/1164612723.db2.gz SYBFWGWQBTWNSL-NSHDSACASA-N -1 1 294.355 1.738 20 0 CDADMM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)c1nc[nH]n1 ZINC001608705704 1164612726 /nfs/dbraw/zinc/61/27/26/1164612726.db2.gz SYBFWGWQBTWNSL-NSHDSACASA-N -1 1 294.355 1.738 20 0 CDADMM O=C([O-])c1ccnc(C(=O)Nc2ccc3cncn3c2)c1 ZINC001608952215 1164693673 /nfs/dbraw/zinc/69/36/73/1164693673.db2.gz KDDDKRVQGOCFKT-UHFFFAOYSA-N -1 1 282.259 1.680 20 0 CDADMM O=C([O-])c1cnc(CN2CCC(n3cccn3)CC2)cn1 ZINC001608971521 1164698972 /nfs/dbraw/zinc/69/89/72/1164698972.db2.gz LZBZXTIGUUTHCR-UHFFFAOYSA-N -1 1 287.323 1.208 20 0 CDADMM C[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])C1CCC1 ZINC001609070768 1164757682 /nfs/dbraw/zinc/75/76/82/1164757682.db2.gz WJMWAHZAVTYFHZ-QMMMGPOBSA-N -1 1 287.323 1.947 20 0 CDADMM CC(C)n1ccc(CNc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001609107602 1164773919 /nfs/dbraw/zinc/77/39/19/1164773919.db2.gz SMJPNCXKUFHYCR-UHFFFAOYSA-N -1 1 284.327 1.073 20 0 CDADMM CC(C)n1ccc(CNc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001609107602 1164773925 /nfs/dbraw/zinc/77/39/25/1164773925.db2.gz SMJPNCXKUFHYCR-UHFFFAOYSA-N -1 1 284.327 1.073 20 0 CDADMM CC1=C(C)CN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001609151911 1164800964 /nfs/dbraw/zinc/80/09/64/1164800964.db2.gz UJESQDXNQCLXHZ-UHFFFAOYSA-N -1 1 256.313 1.808 20 0 CDADMM CC1=C(C)CN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001609151911 1164800967 /nfs/dbraw/zinc/80/09/67/1164800967.db2.gz UJESQDXNQCLXHZ-UHFFFAOYSA-N -1 1 256.313 1.808 20 0 CDADMM C[C@@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@H]1C ZINC001609164506 1164811747 /nfs/dbraw/zinc/81/17/47/1164811747.db2.gz SHDNEQJQKBDUTB-UTLUCORTSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@H]1C ZINC001609164506 1164811752 /nfs/dbraw/zinc/81/17/52/1164811752.db2.gz SHDNEQJQKBDUTB-UTLUCORTSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CN(c2cccnc2-c2nnn[n-]2)C[C@H](C)S1 ZINC001609176298 1164817059 /nfs/dbraw/zinc/81/70/59/1164817059.db2.gz RNNRPZRACHWCQM-DTORHVGOSA-N -1 1 276.369 1.592 20 0 CDADMM C[C@@H]1CN(c2cccnc2-c2nn[n-]n2)C[C@H](C)S1 ZINC001609176298 1164817071 /nfs/dbraw/zinc/81/70/71/1164817071.db2.gz RNNRPZRACHWCQM-DTORHVGOSA-N -1 1 276.369 1.592 20 0 CDADMM C[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCC1(F)F ZINC001609176306 1164817828 /nfs/dbraw/zinc/81/78/28/1164817828.db2.gz RQGKKCZWLVLPMD-ZETCQYMHSA-N -1 1 281.270 1.138 20 0 CDADMM C[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCC1(F)F ZINC001609176306 1164817833 /nfs/dbraw/zinc/81/78/33/1164817833.db2.gz RQGKKCZWLVLPMD-ZETCQYMHSA-N -1 1 281.270 1.138 20 0 CDADMM CN(CCNc1cc(-c2nnn[n-]2)ncn1)c1ccccc1 ZINC001609276026 1164876527 /nfs/dbraw/zinc/87/65/27/1164876527.db2.gz CMROEAXDOQPGOJ-UHFFFAOYSA-N -1 1 296.338 1.205 20 0 CDADMM CN(CCNc1cc(-c2nn[n-]n2)ncn1)c1ccccc1 ZINC001609276026 1164876532 /nfs/dbraw/zinc/87/65/32/1164876532.db2.gz CMROEAXDOQPGOJ-UHFFFAOYSA-N -1 1 296.338 1.205 20 0 CDADMM CC(=O)c1ccc(OS(=O)(=O)c2c[n-]cn2)cc1F ZINC000121998887 1164904214 /nfs/dbraw/zinc/90/42/14/1164904214.db2.gz YXLBHHTWDTVZQB-UHFFFAOYSA-N -1 1 284.268 1.519 20 0 CDADMM CS[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001609369003 1164911462 /nfs/dbraw/zinc/91/14/62/1164911462.db2.gz GADJATOIBWNFKI-VIFPVBQESA-N -1 1 293.400 1.846 20 0 CDADMM CS[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001609369003 1164911467 /nfs/dbraw/zinc/91/14/67/1164911467.db2.gz GADJATOIBWNFKI-VIFPVBQESA-N -1 1 293.400 1.846 20 0 CDADMM COCCCONC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000868331305 1164932855 /nfs/dbraw/zinc/93/28/55/1164932855.db2.gz YQPPMYOWEAEWML-UHFFFAOYSA-N -1 1 273.716 1.672 20 0 CDADMM Cc1nc(COc2ccc(F)nc2-c2nn[n-]n2)cs1 ZINC001609450588 1164954522 /nfs/dbraw/zinc/95/45/22/1164954522.db2.gz NQXRJJLSZXMCEE-UHFFFAOYSA-N -1 1 292.299 1.745 20 0 CDADMM Cn1c(Cl)cnc1COc1cccnc1-c1nnn[n-]1 ZINC001609476433 1164967321 /nfs/dbraw/zinc/96/73/21/1164967321.db2.gz CSQXUCFTNUEBNY-UHFFFAOYSA-N -1 1 291.702 1.228 20 0 CDADMM O=C(NCC12CCC(CC1)C2)c1ccc(-c2nnn[n-]2)o1 ZINC001609545192 1164985717 /nfs/dbraw/zinc/98/57/17/1164985717.db2.gz NLONOWPYLTZCEY-UHFFFAOYSA-N -1 1 287.323 1.770 20 0 CDADMM O=C(NCC12CCC(CC1)C2)c1ccc(-c2nn[n-]n2)o1 ZINC001609545192 1164985723 /nfs/dbraw/zinc/98/57/23/1164985723.db2.gz NLONOWPYLTZCEY-UHFFFAOYSA-N -1 1 287.323 1.770 20 0 CDADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)C1CC1 ZINC001609570148 1164991343 /nfs/dbraw/zinc/99/13/43/1164991343.db2.gz RLPVPSLPUFTECD-UHFFFAOYSA-N -1 1 270.705 1.325 20 0 CDADMM O=C(OCc1ccc(F)cc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609576629 1164995097 /nfs/dbraw/zinc/99/50/97/1164995097.db2.gz FRDKWLPMBCGCJK-UHFFFAOYSA-N -1 1 299.265 1.758 20 0 CDADMM O=C(OCc1ccc(F)cc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609576629 1164995099 /nfs/dbraw/zinc/99/50/99/1164995099.db2.gz FRDKWLPMBCGCJK-UHFFFAOYSA-N -1 1 299.265 1.758 20 0 CDADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC[C@@H]1C1CC1 ZINC001609585062 1164999895 /nfs/dbraw/zinc/99/98/95/1164999895.db2.gz WJNWKCCCYMGNNK-SECBINFHSA-N -1 1 275.337 1.553 20 0 CDADMM O[C@H]1Cc2ccccc2N(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001609608823 1165005102 /nfs/dbraw/zinc/00/51/02/1165005102.db2.gz XDVRJCQYVDZOKV-NSHDSACASA-N -1 1 297.318 1.383 20 0 CDADMM O[C@H]1Cc2ccccc2N(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001609608823 1165005108 /nfs/dbraw/zinc/00/51/08/1165005108.db2.gz XDVRJCQYVDZOKV-NSHDSACASA-N -1 1 297.318 1.383 20 0 CDADMM c1ccc2c(c1)CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001609617841 1165011811 /nfs/dbraw/zinc/01/18/11/1165011811.db2.gz JCYBZYXHYLLFOH-UHFFFAOYSA-N -1 1 293.334 1.262 20 0 CDADMM c1ccc2c(c1)CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001609617841 1165011816 /nfs/dbraw/zinc/01/18/16/1165011816.db2.gz JCYBZYXHYLLFOH-UHFFFAOYSA-N -1 1 293.334 1.262 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@H]2CCO[C@@H](C3CC3)C2)c1 ZINC001609619034 1165014203 /nfs/dbraw/zinc/01/42/03/1165014203.db2.gz FQYMVHXRMFYMAN-CMPLNLGQSA-N -1 1 286.339 1.631 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@H]2CCO[C@@H](C3CC3)C2)c1 ZINC001609619034 1165014207 /nfs/dbraw/zinc/01/42/07/1165014207.db2.gz FQYMVHXRMFYMAN-CMPLNLGQSA-N -1 1 286.339 1.631 20 0 CDADMM c1nc(NCCOC2CCCCC2)cc(-c2nnn[n-]2)n1 ZINC001609621297 1165017759 /nfs/dbraw/zinc/01/77/59/1165017759.db2.gz ZFFOQPMLOOSEMN-UHFFFAOYSA-N -1 1 289.343 1.418 20 0 CDADMM c1nc(NCCOC2CCCCC2)cc(-c2nn[n-]n2)n1 ZINC001609621297 1165017766 /nfs/dbraw/zinc/01/77/66/1165017766.db2.gz ZFFOQPMLOOSEMN-UHFFFAOYSA-N -1 1 289.343 1.418 20 0 CDADMM CCC[C@H](C)C(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F ZINC000869350658 1165054540 /nfs/dbraw/zinc/05/45/40/1165054540.db2.gz HYUDKKCENDLXON-QMMMGPOBSA-N -1 1 297.273 1.604 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CN2C[C@H](C)O[C@@H](C3CC3)C2)O1 ZINC001609828707 1165100532 /nfs/dbraw/zinc/10/05/32/1165100532.db2.gz MRKKIABDVQWCFF-MRCXROJRSA-N -1 1 281.352 1.633 20 0 CDADMM CCN(Cc1ccccn1)[C@@H](C(=O)[O-])C1(OC)CCC1 ZINC001610003230 1165181257 /nfs/dbraw/zinc/18/12/57/1165181257.db2.gz OULLFPYAFYLDET-ZDUSSCGKSA-N -1 1 278.352 1.926 20 0 CDADMM O=C([O-])C[C@H](NCc1nc(-c2ccccn2)no1)C1CC1 ZINC001610753239 1165427691 /nfs/dbraw/zinc/42/76/91/1165427691.db2.gz BEFQXFUDISSPHY-NSHDSACASA-N -1 1 288.307 1.475 20 0 CDADMM O=C([N-]CC1CN(Cc2cscn2)C1)C(F)(F)F ZINC000877777232 1166097825 /nfs/dbraw/zinc/09/78/25/1166097825.db2.gz RKQHTGCMXZJGIC-UHFFFAOYSA-N -1 1 279.287 1.253 20 0 CDADMM CCOC(=O)CS(=O)(=O)[N-]c1ccc([C@@H](C)O)cc1 ZINC000049061797 1166528147 /nfs/dbraw/zinc/52/81/47/1166528147.db2.gz VIEWRZWBQUBKAH-SECBINFHSA-N -1 1 287.337 1.045 20 0 CDADMM O=C([N-]OCC1CCC1)[C@@H]1C[C@]12C(=O)Nc1ccccc12 ZINC000826626869 1166586576 /nfs/dbraw/zinc/58/65/76/1166586576.db2.gz CHXUMLLBLYVAEL-BLLLJJGKSA-N -1 1 286.331 1.744 20 0 CDADMM CCC(CC)(NC(=O)CC1CCCC1)c1nn[n-]n1 ZINC000095284741 1166618631 /nfs/dbraw/zinc/61/86/31/1166618631.db2.gz XEQFJKQWUXTJTH-UHFFFAOYSA-N -1 1 265.361 1.912 20 0 CDADMM Cc1ncccc1CCNC(=O)c1ncccc1[O-] ZINC001636991543 1166711942 /nfs/dbraw/zinc/71/19/42/1166711942.db2.gz LCWSJHKEQHQPMR-UHFFFAOYSA-N -1 1 257.293 1.463 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cnc2cc[nH]c2c1 ZINC001637957128 1166806119 /nfs/dbraw/zinc/80/61/19/1166806119.db2.gz BGFVHHTXBOOZTL-UHFFFAOYSA-N -1 1 257.253 1.552 20 0 CDADMM Cc1nonc1CC(=O)Nc1cc([O-])c(F)cc1F ZINC001638527976 1166853166 /nfs/dbraw/zinc/85/31/66/1166853166.db2.gz GFQJBRKFCKFEEZ-UHFFFAOYSA-N -1 1 269.207 1.543 20 0 CDADMM C[C@H](O)[C@H](NCc1ccc(-c2cnn(C)c2)s1)C(=O)[O-] ZINC001647413252 1168663879 /nfs/dbraw/zinc/66/38/79/1168663879.db2.gz LBUPHDATFYJFQK-UFBFGSQYSA-N -1 1 295.364 1.072 20 0 CDADMM COc1cccc(CCCN2CCO[C@](C)(C(=O)[O-])C2)c1 ZINC001574041706 1170869050 /nfs/dbraw/zinc/86/90/50/1170869050.db2.gz ORKLSOAATSRVEY-INIZCTEOSA-N -1 1 293.363 1.803 20 0 CDADMM O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1Cc1nncn1-c1ccccc1 ZINC001574402771 1170973610 /nfs/dbraw/zinc/97/36/10/1170973610.db2.gz FLVPALFYXUPLNP-LNSITVRQSA-N -1 1 298.346 1.705 20 0 CDADMM O=C([O-])c1cc(CN[C@@H](CO)CC2CCCC2)on1 ZINC001574408659 1170975199 /nfs/dbraw/zinc/97/51/99/1170975199.db2.gz MJXPYIPNHFTKGN-SNVBAGLBSA-N -1 1 268.313 1.404 20 0 CDADMM O=C(Nc1cnc2ccnn2c1)c1ccc(O)cc1[O-] ZINC001653631504 1171556340 /nfs/dbraw/zinc/55/63/40/1171556340.db2.gz PNYSEDBTAICBAA-UHFFFAOYSA-N -1 1 270.248 1.393 20 0 CDADMM O=C(CCCc1nn[n-]n1)Nc1nc(-c2ccccc2)no1 ZINC001654274494 1171601616 /nfs/dbraw/zinc/60/16/16/1171601616.db2.gz QRXGHHJYGHFTIA-UHFFFAOYSA-N -1 1 299.294 1.211 20 0 CDADMM CCc1ccnc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001578546826 1171949135 /nfs/dbraw/zinc/94/91/35/1171949135.db2.gz DBQREMLDOLWVBQ-UHFFFAOYSA-N -1 1 295.306 1.471 20 0 CDADMM CCc1ccnc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001578546826 1171949146 /nfs/dbraw/zinc/94/91/46/1171949146.db2.gz DBQREMLDOLWVBQ-UHFFFAOYSA-N -1 1 295.306 1.471 20 0 CDADMM COc1cccc(NC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001580070998 1172342701 /nfs/dbraw/zinc/34/27/01/1172342701.db2.gz MJVSFBKLGOUTOH-UHFFFAOYSA-N -1 1 285.263 1.721 20 0 CDADMM COc1cccc(NC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001580070998 1172342708 /nfs/dbraw/zinc/34/27/08/1172342708.db2.gz MJVSFBKLGOUTOH-UHFFFAOYSA-N -1 1 285.263 1.721 20 0 CDADMM COc1cnc(NC(=O)c2coc(-c3nnn[n-]3)c2)s1 ZINC001580106840 1172349415 /nfs/dbraw/zinc/34/94/15/1172349415.db2.gz VMIRKZIZNAQBHU-UHFFFAOYSA-N -1 1 292.280 1.177 20 0 CDADMM COc1cnc(NC(=O)c2coc(-c3nn[n-]n3)c2)s1 ZINC001580106840 1172349417 /nfs/dbraw/zinc/34/94/17/1172349417.db2.gz VMIRKZIZNAQBHU-UHFFFAOYSA-N -1 1 292.280 1.177 20 0 CDADMM O=C(N[C@@H]1CNOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC001580749481 1172528045 /nfs/dbraw/zinc/52/80/45/1172528045.db2.gz ZFKNFEIALBELIA-SSDOTTSWSA-N -1 1 276.214 1.044 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2C[C@H]2c2ccsc2)n1 ZINC001580756357 1172532873 /nfs/dbraw/zinc/53/28/73/1172532873.db2.gz FKIOKWMGZIAHEG-VHSXEESVSA-N -1 1 299.363 1.995 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2C[C@H]2c2ccsc2)n1 ZINC001580756357 1172532879 /nfs/dbraw/zinc/53/28/79/1172532879.db2.gz FKIOKWMGZIAHEG-VHSXEESVSA-N -1 1 299.363 1.995 20 0 CDADMM Cc1cc(COC(=O)c2coc(-c3nnn[n-]3)c2)ns1 ZINC001580928328 1172570076 /nfs/dbraw/zinc/57/00/76/1172570076.db2.gz CZMNJRFVVDFHDA-UHFFFAOYSA-N -1 1 291.292 1.582 20 0 CDADMM Cc1cc(COC(=O)c2coc(-c3nn[n-]n3)c2)ns1 ZINC001580928328 1172570082 /nfs/dbraw/zinc/57/00/82/1172570082.db2.gz CZMNJRFVVDFHDA-UHFFFAOYSA-N -1 1 291.292 1.582 20 0 CDADMM Cc1occc1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001581733956 1172620183 /nfs/dbraw/zinc/62/01/83/1172620183.db2.gz XJCNSVPEESUTSD-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1occc1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001581733956 1172620190 /nfs/dbraw/zinc/62/01/90/1172620190.db2.gz XJCNSVPEESUTSD-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@@H]1C[C@@H]1F ZINC001586211235 1172936659 /nfs/dbraw/zinc/93/66/59/1172936659.db2.gz LBLJZDKZSGCORX-MNOVXSKESA-N -1 1 261.256 1.874 20 0 CDADMM C1=C(c2ccccc2)CN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588389713 1173060263 /nfs/dbraw/zinc/06/02/63/1173060263.db2.gz ZAJSEVMBPJVMGA-UHFFFAOYSA-N -1 1 291.318 1.560 20 0 CDADMM CC(C)[C@@H]1C[C@H]1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001589502072 1173151618 /nfs/dbraw/zinc/15/16/18/1173151618.db2.gz MKNWYFQEDUVHGA-NKWVEPMBSA-N -1 1 278.341 1.554 20 0 CDADMM CC(C)[C@@H]1C[C@H]1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001589502072 1173151621 /nfs/dbraw/zinc/15/16/21/1173151621.db2.gz MKNWYFQEDUVHGA-NKWVEPMBSA-N -1 1 278.341 1.554 20 0 CDADMM CC(C)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)no1 ZINC001589767036 1173176389 /nfs/dbraw/zinc/17/63/89/1173176389.db2.gz JQQQPPIVJRNURY-UHFFFAOYSA-N -1 1 288.267 1.823 20 0 CDADMM C[C@H](C1CC1)N(C)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589786052 1173179998 /nfs/dbraw/zinc/17/99/98/1173179998.db2.gz HCHWZVRONGUFAO-MRVPVSSYSA-N -1 1 287.327 1.524 20 0 CDADMM C[C@H](C1CC1)N(C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589786052 1173180002 /nfs/dbraw/zinc/18/00/02/1173180002.db2.gz HCHWZVRONGUFAO-MRVPVSSYSA-N -1 1 287.327 1.524 20 0 CDADMM C[C@H](CC(C)(C)C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589795403 1173184481 /nfs/dbraw/zinc/18/44/81/1173184481.db2.gz DREJDHPKMIWOJX-MRVPVSSYSA-N -1 1 261.333 1.893 20 0 CDADMM C[C@H](CC(C)(C)C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589795403 1173184485 /nfs/dbraw/zinc/18/44/85/1173184485.db2.gz DREJDHPKMIWOJX-MRVPVSSYSA-N -1 1 261.333 1.893 20 0 CDADMM CC1(C)[C@@H](CNc2cccnc2-c2nnn[n-]2)C1(F)F ZINC001590077715 1173246112 /nfs/dbraw/zinc/24/61/12/1173246112.db2.gz YIQUYJAKVQONIL-MRVPVSSYSA-N -1 1 280.282 1.965 20 0 CDADMM CC1(C)[C@@H](CNc2cccnc2-c2nn[n-]n2)C1(F)F ZINC001590077715 1173246118 /nfs/dbraw/zinc/24/61/18/1173246118.db2.gz YIQUYJAKVQONIL-MRVPVSSYSA-N -1 1 280.282 1.965 20 0 CDADMM CC1(C)C[C@H](Nc2ccnc(-c3nnn[n-]3)c2)C(C)(C)O1 ZINC001590083711 1173248181 /nfs/dbraw/zinc/24/81/81/1173248181.db2.gz JPBCAWQXVILAJP-NSHDSACASA-N -1 1 288.355 1.442 20 0 CDADMM CC1(C)C[C@H](Nc2ccnc(-c3nn[n-]n3)c2)C(C)(C)O1 ZINC001590083711 1173248186 /nfs/dbraw/zinc/24/81/86/1173248186.db2.gz JPBCAWQXVILAJP-NSHDSACASA-N -1 1 288.355 1.442 20 0 CDADMM CC1(C)C[C@H](CNc2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001590079334 1173249190 /nfs/dbraw/zinc/24/91/90/1173249190.db2.gz FOBXGEKGPFMUQZ-SECBINFHSA-N -1 1 289.343 1.274 20 0 CDADMM CC1(C)C[C@H](CNc2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001590079334 1173249197 /nfs/dbraw/zinc/24/91/97/1173249197.db2.gz FOBXGEKGPFMUQZ-SECBINFHSA-N -1 1 289.343 1.274 20 0 CDADMM CC1(C)CC[C@H]1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001590093656 1173253357 /nfs/dbraw/zinc/25/33/57/1173253357.db2.gz UDBOMXIGJSVVKD-JTQLQIEISA-N -1 1 286.339 1.314 20 0 CDADMM CC1(C)CC[C@H]1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001590093656 1173253367 /nfs/dbraw/zinc/25/33/67/1173253367.db2.gz UDBOMXIGJSVVKD-JTQLQIEISA-N -1 1 286.339 1.314 20 0 CDADMM CC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001590136817 1173270030 /nfs/dbraw/zinc/27/00/30/1173270030.db2.gz ZYUPZRWAISUUMY-UHFFFAOYSA-N -1 1 259.317 1.071 20 0 CDADMM CC1=C[C@@H](C)CN(c2cccnc2-c2nnn[n-]2)C1 ZINC001590157854 1173275824 /nfs/dbraw/zinc/27/58/24/1173275824.db2.gz RYNRAWICEKWQDK-SECBINFHSA-N -1 1 256.313 1.664 20 0 CDADMM CC1=C[C@@H](C)CN(c2cccnc2-c2nn[n-]n2)C1 ZINC001590157854 1173275829 /nfs/dbraw/zinc/27/58/29/1173275829.db2.gz RYNRAWICEKWQDK-SECBINFHSA-N -1 1 256.313 1.664 20 0 CDADMM C[C@H]1CC[C@H](C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590222093 1173302403 /nfs/dbraw/zinc/30/24/03/1173302403.db2.gz FSDDUWSJNYZUCD-UWVGGRQHSA-N -1 1 286.339 1.661 20 0 CDADMM C[C@H]1CC[C@H](C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590222093 1173302410 /nfs/dbraw/zinc/30/24/10/1173302410.db2.gz FSDDUWSJNYZUCD-UWVGGRQHSA-N -1 1 286.339 1.661 20 0 CDADMM C[C@@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001590231025 1173307829 /nfs/dbraw/zinc/30/78/29/1173307829.db2.gz OAUKQJIMFOFPFT-BDAKNGLRSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001590231025 1173307836 /nfs/dbraw/zinc/30/78/36/1173307836.db2.gz OAUKQJIMFOFPFT-BDAKNGLRSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@@H]1CCC[C@H](Cn2cnc(-c3nn[n-]n3)cc2=O)C1 ZINC001590239689 1173311563 /nfs/dbraw/zinc/31/15/63/1173311563.db2.gz ADIYMIWRRVZINN-ZJUUUORDSA-N -1 1 274.328 1.250 20 0 CDADMM C[C@@H]1CCC[C@H](NC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590244746 1173316553 /nfs/dbraw/zinc/31/65/53/1173316553.db2.gz QLYWFOGJNDGFKE-KOLCDFICSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@@H]1CCC[C@H](NC(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590244746 1173316557 /nfs/dbraw/zinc/31/65/57/1173316557.db2.gz QLYWFOGJNDGFKE-KOLCDFICSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)c2)[C@@H]1CCO ZINC001590260867 1173323186 /nfs/dbraw/zinc/32/31/86/1173323186.db2.gz JFKSYSWIFDZWMO-GXFFZTMASA-N -1 1 288.355 1.249 20 0 CDADMM C[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)c2)[C@@H]1CCO ZINC001590260867 1173323195 /nfs/dbraw/zinc/32/31/95/1173323195.db2.gz JFKSYSWIFDZWMO-GXFFZTMASA-N -1 1 288.355 1.249 20 0 CDADMM C[C@@H]1SCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)[C@H]1C ZINC001590338155 1173363896 /nfs/dbraw/zinc/36/38/96/1173363896.db2.gz SPIVUTBXYZGRIM-YUMQZZPRSA-N -1 1 293.352 1.426 20 0 CDADMM C[C@@H]1SCCN(C(=O)c2ccc(-c3nn[n-]n3)o2)[C@H]1C ZINC001590338155 1173363904 /nfs/dbraw/zinc/36/39/04/1173363904.db2.gz SPIVUTBXYZGRIM-YUMQZZPRSA-N -1 1 293.352 1.426 20 0 CDADMM C/C=C/C[C@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001590356339 1173374250 /nfs/dbraw/zinc/37/42/50/1173374250.db2.gz YQBRCRCPERNOLL-VUDBWIFFSA-N -1 1 285.355 1.839 20 0 CDADMM C/C=C/C[C@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001590356339 1173374256 /nfs/dbraw/zinc/37/42/56/1173374256.db2.gz YQBRCRCPERNOLL-VUDBWIFFSA-N -1 1 285.355 1.839 20 0 CDADMM CC[C@]1(C)CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590490336 1173435272 /nfs/dbraw/zinc/43/52/72/1173435272.db2.gz XCTWZFHYTSETDI-CYBMUJFWSA-N -1 1 273.344 1.673 20 0 CDADMM CC[C@]1(C)CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590490336 1173435275 /nfs/dbraw/zinc/43/52/75/1173435275.db2.gz XCTWZFHYTSETDI-CYBMUJFWSA-N -1 1 273.344 1.673 20 0 CDADMM CC[C@@H]1CCC[C@@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590508344 1173443581 /nfs/dbraw/zinc/44/35/81/1173443581.db2.gz MXAMIKUUVYFRGH-KOLCDFICSA-N -1 1 258.329 1.674 20 0 CDADMM CC[C@@H]1CCC[C@@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590508344 1173443586 /nfs/dbraw/zinc/44/35/86/1173443586.db2.gz MXAMIKUUVYFRGH-KOLCDFICSA-N -1 1 258.329 1.674 20 0 CDADMM CC[C@H]1CCCCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590511147 1173444302 /nfs/dbraw/zinc/44/43/02/1173444302.db2.gz HJEZTRYLQXKSBF-JTQLQIEISA-N -1 1 286.339 1.666 20 0 CDADMM CC[C@H]1CCCCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590511147 1173444304 /nfs/dbraw/zinc/44/43/04/1173444304.db2.gz HJEZTRYLQXKSBF-JTQLQIEISA-N -1 1 286.339 1.666 20 0 CDADMM CC[C@H]1CN(c2ccc(C)nc2-c2nnn[n-]2)CCCO1 ZINC001590522154 1173448237 /nfs/dbraw/zinc/44/82/37/1173448237.db2.gz PMUQFTNNPQFGQW-NSHDSACASA-N -1 1 288.355 1.575 20 0 CDADMM CC[C@H]1CN(c2ccc(C)nc2-c2nn[n-]n2)CCCO1 ZINC001590522154 1173448244 /nfs/dbraw/zinc/44/82/44/1173448244.db2.gz PMUQFTNNPQFGQW-NSHDSACASA-N -1 1 288.355 1.575 20 0 CDADMM CCC[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)oc1C)OC ZINC001590557966 1173460009 /nfs/dbraw/zinc/46/00/09/1173460009.db2.gz VYPFXQGCTAHBEE-VIFPVBQESA-N -1 1 293.327 1.313 20 0 CDADMM CCC[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)oc1C)OC ZINC001590557966 1173460014 /nfs/dbraw/zinc/46/00/14/1173460014.db2.gz VYPFXQGCTAHBEE-VIFPVBQESA-N -1 1 293.327 1.313 20 0 CDADMM CCCc1cncc(Oc2nccnc2-c2nn[n-]n2)c1 ZINC001590659359 1173483477 /nfs/dbraw/zinc/48/34/77/1173483477.db2.gz GSHWWXLWAKMUKI-UHFFFAOYSA-N -1 1 283.295 1.797 20 0 CDADMM CCON(CC)C(=O)N=c1s[nH]c(C)c1-c1nn[n-]n1 ZINC001590817949 1173521237 /nfs/dbraw/zinc/52/12/37/1173521237.db2.gz PQTGPUOKCRRGHZ-UHFFFAOYSA-N -1 1 297.344 1.437 20 0 CDADMM CCS(=O)(CC)=NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590849827 1173523930 /nfs/dbraw/zinc/52/39/30/1173523930.db2.gz HKBVOGYWFMBGES-UHFFFAOYSA-N -1 1 297.340 1.416 20 0 CDADMM CCS(=O)(CC)=NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590849827 1173523935 /nfs/dbraw/zinc/52/39/35/1173523935.db2.gz HKBVOGYWFMBGES-UHFFFAOYSA-N -1 1 297.340 1.416 20 0 CDADMM CC[C@@H]1C[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590860325 1173529949 /nfs/dbraw/zinc/52/99/49/1173529949.db2.gz NEPFLMSBEOTHDY-BDAKNGLRSA-N -1 1 259.317 1.423 20 0 CDADMM CC[C@@H]1C[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590860325 1173529954 /nfs/dbraw/zinc/52/99/54/1173529954.db2.gz NEPFLMSBEOTHDY-BDAKNGLRSA-N -1 1 259.317 1.423 20 0 CDADMM CCc1nc(NC[C@H](O)CC(C)C)cc(-c2nnn[n-]2)n1 ZINC001590917203 1173541725 /nfs/dbraw/zinc/54/17/25/1173541725.db2.gz DXISUAKIWSJAQU-SECBINFHSA-N -1 1 291.359 1.038 20 0 CDADMM CCc1nc(NC[C@H](O)CC(C)C)cc(-c2nn[n-]n2)n1 ZINC001590917203 1173541727 /nfs/dbraw/zinc/54/17/27/1173541727.db2.gz DXISUAKIWSJAQU-SECBINFHSA-N -1 1 291.359 1.038 20 0 CDADMM CCc1nc(NCCCCCOC)cc(-c2nnn[n-]2)n1 ZINC001590919328 1173544309 /nfs/dbraw/zinc/54/43/09/1173544309.db2.gz IOUMCUBVYREJAI-UHFFFAOYSA-N -1 1 291.359 1.448 20 0 CDADMM CCc1nc(NCCCCCOC)cc(-c2nn[n-]n2)n1 ZINC001590919328 1173544312 /nfs/dbraw/zinc/54/43/12/1173544312.db2.gz IOUMCUBVYREJAI-UHFFFAOYSA-N -1 1 291.359 1.448 20 0 CDADMM CN(CCCCO)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC001591065453 1173568102 /nfs/dbraw/zinc/56/81/02/1173568102.db2.gz PUZRYHSVBAZBTB-UHFFFAOYSA-N -1 1 299.338 1.019 20 0 CDADMM CN(CCCCO)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC001591065453 1173568108 /nfs/dbraw/zinc/56/81/08/1173568108.db2.gz PUZRYHSVBAZBTB-UHFFFAOYSA-N -1 1 299.338 1.019 20 0 CDADMM CN(Cc1ccc(F)cc1)c1ccnc(-c2nn[n-]n2)n1 ZINC001591140014 1173577035 /nfs/dbraw/zinc/57/70/35/1173577035.db2.gz IPJBJRPBSUZFOA-UHFFFAOYSA-N -1 1 285.286 1.432 20 0 CDADMM COC(=O)/C(C)=C\CNc1snc(C)c1-c1nn[n-]n1 ZINC001591227503 1173596949 /nfs/dbraw/zinc/59/69/49/1173596949.db2.gz ALLIDFZQSQIELQ-XQRVVYSFSA-N -1 1 294.340 1.163 20 0 CDADMM CO[C@H](C)[C@@H](C)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591325148 1173612812 /nfs/dbraw/zinc/61/28/12/1173612812.db2.gz WRFCNAIOESKDLB-HTQZYQBOSA-N -1 1 289.343 1.369 20 0 CDADMM CO[C@H](C)[C@@H](C)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591325148 1173612817 /nfs/dbraw/zinc/61/28/17/1173612817.db2.gz WRFCNAIOESKDLB-HTQZYQBOSA-N -1 1 289.343 1.369 20 0 CDADMM CO[C@H]1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001591349998 1173623335 /nfs/dbraw/zinc/62/33/35/1173623335.db2.gz CKSHZEMQMBFUMP-SFYZADRCSA-N -1 1 280.357 1.611 20 0 CDADMM CO[C@@H]1CC[C@@H](Nc2cc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001591351399 1173624413 /nfs/dbraw/zinc/62/44/13/1173624413.db2.gz MLSFGRDODJUCCX-NXEZZACHSA-N -1 1 274.328 1.550 20 0 CDADMM CO[C@@H]1CC[C@@H](Nc2cc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001591351399 1173624418 /nfs/dbraw/zinc/62/44/18/1173624418.db2.gz MLSFGRDODJUCCX-NXEZZACHSA-N -1 1 274.328 1.550 20 0 CDADMM CO[C@@H]1CCC[C@H]1CNc1nc(-c2nn[n-]n2)ccc1C ZINC001591360729 1173630271 /nfs/dbraw/zinc/63/02/71/1173630271.db2.gz JRUKIFCMBRMFRT-CMPLNLGQSA-N -1 1 288.355 1.797 20 0 CDADMM COCC1(COc2ccc(F)nc2-c2nnn[n-]2)CCC1 ZINC001591388333 1173639008 /nfs/dbraw/zinc/63/90/08/1173639008.db2.gz CWLKGHCJQUEACX-UHFFFAOYSA-N -1 1 293.302 1.596 20 0 CDADMM COCC1(COc2ccc(F)nc2-c2nn[n-]n2)CCC1 ZINC001591388333 1173639016 /nfs/dbraw/zinc/63/90/16/1173639016.db2.gz CWLKGHCJQUEACX-UHFFFAOYSA-N -1 1 293.302 1.596 20 0 CDADMM COCC1(Nc2cc(-c3nnn[n-]3)nc(C)n2)CCCC1 ZINC001591390222 1173640993 /nfs/dbraw/zinc/64/09/93/1173640993.db2.gz DHFWSFHOTQWQQE-UHFFFAOYSA-N -1 1 289.343 1.336 20 0 CDADMM COCC1(Nc2cc(-c3nn[n-]n3)nc(C)n2)CCCC1 ZINC001591390222 1173640996 /nfs/dbraw/zinc/64/09/96/1173640996.db2.gz DHFWSFHOTQWQQE-UHFFFAOYSA-N -1 1 289.343 1.336 20 0 CDADMM CO[C@@]1(C)C[C@H]1Nc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001591473141 1173658057 /nfs/dbraw/zinc/65/80/57/1173658057.db2.gz BAKICAGCMUSTJZ-SKDRFNHKSA-N -1 1 260.301 1.159 20 0 CDADMM CO[C@@]1(C)C[C@H]1Nc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001591473141 1173658059 /nfs/dbraw/zinc/65/80/59/1173658059.db2.gz BAKICAGCMUSTJZ-SKDRFNHKSA-N -1 1 260.301 1.159 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1cccc(O)c1 ZINC001591729483 1173691792 /nfs/dbraw/zinc/69/17/92/1173691792.db2.gz UJYYDKBRZFVKCC-MRVPVSSYSA-N -1 1 299.290 1.656 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1cccc(O)c1 ZINC001591729483 1173691794 /nfs/dbraw/zinc/69/17/94/1173691794.db2.gz UJYYDKBRZFVKCC-MRVPVSSYSA-N -1 1 299.290 1.656 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCOC3(CCC3)C2)c1 ZINC001591888447 1173738486 /nfs/dbraw/zinc/73/84/86/1173738486.db2.gz MZFPMMHPVHLJAQ-UHFFFAOYSA-N -1 1 286.339 1.329 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCOC3(CCC3)C2)c1 ZINC001591888447 1173738490 /nfs/dbraw/zinc/73/84/90/1173738490.db2.gz MZFPMMHPVHLJAQ-UHFFFAOYSA-N -1 1 286.339 1.329 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCS[C@H](C)C2)c1 ZINC001591889143 1173739156 /nfs/dbraw/zinc/73/91/56/1173739156.db2.gz YGFHHJCRAMBADM-SECBINFHSA-N -1 1 276.369 1.512 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCS[C@H](C)C2)c1 ZINC001591889143 1173739160 /nfs/dbraw/zinc/73/91/60/1173739160.db2.gz YGFHHJCRAMBADM-SECBINFHSA-N -1 1 276.369 1.512 20 0 CDADMM Cc1nn(C)c(C)c1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001591903075 1173745653 /nfs/dbraw/zinc/74/56/53/1173745653.db2.gz HPCDILHURZQQGC-UHFFFAOYSA-N -1 1 285.315 1.059 20 0 CDADMM Cc1nn(C)c(C)c1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001591903075 1173745658 /nfs/dbraw/zinc/74/56/58/1173745658.db2.gz HPCDILHURZQQGC-UHFFFAOYSA-N -1 1 285.315 1.059 20 0 CDADMM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)co1 ZINC001591933572 1173748000 /nfs/dbraw/zinc/74/80/00/1173748000.db2.gz KXIXGVHZRPDMSP-UHFFFAOYSA-N -1 1 270.252 1.415 20 0 CDADMM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)co1 ZINC001591933572 1173748008 /nfs/dbraw/zinc/74/80/08/1173748008.db2.gz KXIXGVHZRPDMSP-UHFFFAOYSA-N -1 1 270.252 1.415 20 0 CDADMM Cc1cc(C)n(CCCNc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001591955809 1173751877 /nfs/dbraw/zinc/75/18/77/1173751877.db2.gz GGASECSLXDXQLU-UHFFFAOYSA-N -1 1 298.354 1.577 20 0 CDADMM Cc1cc(C)n(CCCNc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001591955809 1173751879 /nfs/dbraw/zinc/75/18/79/1173751879.db2.gz GGASECSLXDXQLU-UHFFFAOYSA-N -1 1 298.354 1.577 20 0 CDADMM Cc1cc(CSc2ccnc(-c3nn[n-]n3)n2)no1 ZINC001591972992 1173761127 /nfs/dbraw/zinc/76/11/27/1173761127.db2.gz NGMCELNNYBPPJO-UHFFFAOYSA-N -1 1 275.297 1.245 20 0 CDADMM Cc1cc(N[C@@H]2CCOC(C)(C)C2)cc(-c2nnn[n-]2)n1 ZINC001592039669 1173781404 /nfs/dbraw/zinc/78/14/04/1173781404.db2.gz DPAGBFDSMWMWKW-SNVBAGLBSA-N -1 1 288.355 1.362 20 0 CDADMM Cc1cc(N[C@@H]2CCOC(C)(C)C2)cc(-c2nn[n-]n2)n1 ZINC001592039669 1173781408 /nfs/dbraw/zinc/78/14/08/1173781408.db2.gz DPAGBFDSMWMWKW-SNVBAGLBSA-N -1 1 288.355 1.362 20 0 CDADMM Cc1cc(N[C@H]2CCCOC2)nc(-c2nnn[n-]2)c1 ZINC001592055063 1173789056 /nfs/dbraw/zinc/78/90/56/1173789056.db2.gz VGCVCAHZRSWSPS-VIFPVBQESA-N -1 1 260.301 1.161 20 0 CDADMM Cc1cc(N[C@H]2CCCOC2)nc(-c2nn[n-]n2)c1 ZINC001592055063 1173789060 /nfs/dbraw/zinc/78/90/60/1173789060.db2.gz VGCVCAHZRSWSPS-VIFPVBQESA-N -1 1 260.301 1.161 20 0 CDADMM Cc1cc[nH]c1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001592073021 1173793743 /nfs/dbraw/zinc/79/37/43/1173793743.db2.gz ICXLWZTXUAUYCO-UHFFFAOYSA-N -1 1 284.279 1.461 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1C[C@@H](C)[C@H](C)C1 ZINC001592110231 1173802083 /nfs/dbraw/zinc/80/20/83/1173802083.db2.gz LXEHZMCWGYMOKU-NXEZZACHSA-N -1 1 258.329 1.662 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCCC(F)(F)F ZINC001592113354 1173804509 /nfs/dbraw/zinc/80/45/09/1173804509.db2.gz DWNRJKJXQHPKAA-UHFFFAOYSA-N -1 1 272.234 1.934 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@]1(C)CCCCO1 ZINC001592114024 1173805613 /nfs/dbraw/zinc/80/56/13/1173805613.db2.gz MEYCMRNLHMSYML-CQSZACIVSA-N -1 1 288.355 1.941 20 0 CDADMM Cc1ccc(F)cc1Oc1nccnc1-c1nn[n-]n1 ZINC001592173578 1173823783 /nfs/dbraw/zinc/82/37/83/1173823783.db2.gz UCCPECBXWLAGIY-UHFFFAOYSA-N -1 1 272.243 1.897 20 0 CDADMM Cc1ccc(NCC2CCOCC2)nc1-c1nnn[n-]1 ZINC001592183127 1173825839 /nfs/dbraw/zinc/82/58/39/1173825839.db2.gz NAIIBPNUWLGWLP-UHFFFAOYSA-N -1 1 274.328 1.409 20 0 CDADMM Cc1ccc(NCC2CCOCC2)nc1-c1nn[n-]n1 ZINC001592183127 1173825843 /nfs/dbraw/zinc/82/58/43/1173825843.db2.gz NAIIBPNUWLGWLP-UHFFFAOYSA-N -1 1 274.328 1.409 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@H](O)C2(C)C)c(-c2nnn[n-]2)n1 ZINC001592184006 1173828953 /nfs/dbraw/zinc/82/89/53/1173828953.db2.gz OBCLPDSNWMGGMY-ZJUUUORDSA-N -1 1 274.328 1.141 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@H](O)C2(C)C)c(-c2nn[n-]n2)n1 ZINC001592184006 1173828959 /nfs/dbraw/zinc/82/89/59/1173828959.db2.gz OBCLPDSNWMGGMY-ZJUUUORDSA-N -1 1 274.328 1.141 20 0 CDADMM Cc1ccc(N[C@@H](C)Cc2cnn(C)c2)nc1-c1nn[n-]n1 ZINC001592184965 1173830356 /nfs/dbraw/zinc/83/03/56/1173830356.db2.gz ZCEVUBJKNALNHH-JTQLQIEISA-N -1 1 298.354 1.347 20 0 CDADMM Cc1cccc(CCNc2nccnc2-c2nnn[n-]2)n1 ZINC001592230166 1173836803 /nfs/dbraw/zinc/83/68/03/1173836803.db2.gz YVVINVJMMKUBLT-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1cccc(CCNc2nccnc2-c2nn[n-]n2)n1 ZINC001592230166 1173836808 /nfs/dbraw/zinc/83/68/08/1173836808.db2.gz YVVINVJMMKUBLT-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1cncc(NC(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001592300163 1173848794 /nfs/dbraw/zinc/84/87/94/1173848794.db2.gz MVMRFQPKSTWVHL-UHFFFAOYSA-N -1 1 270.252 1.415 20 0 CDADMM Cc1cncc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001592300163 1173848798 /nfs/dbraw/zinc/84/87/98/1173848798.db2.gz MVMRFQPKSTWVHL-UHFFFAOYSA-N -1 1 270.252 1.415 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@H](C)c2cccnc2)c1-c1nn[n-]n1 ZINC001592328522 1173856346 /nfs/dbraw/zinc/85/63/46/1173856346.db2.gz WDFHWTRWDJZIIX-SSDOTTSWSA-N -1 1 298.310 1.035 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@H]2C(C)(C)C)n1 ZINC001592338058 1173858633 /nfs/dbraw/zinc/85/86/33/1173858633.db2.gz UPIVVPSDSJEEAL-JTQLQIEISA-N -1 1 273.344 1.590 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@H]2C(C)(C)C)n1 ZINC001592338058 1173858636 /nfs/dbraw/zinc/85/86/36/1173858636.db2.gz UPIVVPSDSJEEAL-JTQLQIEISA-N -1 1 273.344 1.590 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](C(C)C)C2)n1 ZINC001592338178 1173859695 /nfs/dbraw/zinc/85/96/95/1173859695.db2.gz WERLUCYWCYPVFX-LLVKDONJSA-N -1 1 287.371 1.838 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](C(C)C)C2)n1 ZINC001592338178 1173859700 /nfs/dbraw/zinc/85/97/00/1173859700.db2.gz WERLUCYWCYPVFX-LLVKDONJSA-N -1 1 287.371 1.838 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(Cc2ccc(CO)cc2)c1C ZINC001592339999 1173861490 /nfs/dbraw/zinc/86/14/90/1173861490.db2.gz SUYBBSSFKWKXSW-UHFFFAOYSA-N -1 1 284.323 1.221 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2ccc(CO)cc2)c1C ZINC001592339999 1173861496 /nfs/dbraw/zinc/86/14/96/1173861496.db2.gz SUYBBSSFKWKXSW-UHFFFAOYSA-N -1 1 284.323 1.221 20 0 CDADMM Cc1ncccc1CNc1cccc(-c2nnn[n-]2)n1 ZINC001592417273 1173884991 /nfs/dbraw/zinc/88/49/91/1173884991.db2.gz SGROAWQGSSPDOR-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1ncccc1CNc1cccc(-c2nn[n-]n2)n1 ZINC001592417273 1173884997 /nfs/dbraw/zinc/88/49/97/1173884997.db2.gz SGROAWQGSSPDOR-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cl/C=C(\Cl)Cn1ccn2ncc(-c3nn[n-]n3)c12 ZINC001592523396 1173911972 /nfs/dbraw/zinc/91/19/72/1173911972.db2.gz QTPCAPGCJOBABE-UTCJRWHESA-N -1 1 284.110 1.635 20 0 CDADMM Clc1ccc(NCc2cccc(-c3nnn[n-]3)n2)nc1 ZINC001592531902 1173912975 /nfs/dbraw/zinc/91/29/75/1173912975.db2.gz GSMOYWTVOWKAST-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM Clc1ccc(NCc2cccc(-c3nn[n-]n3)n2)nc1 ZINC001592531902 1173912979 /nfs/dbraw/zinc/91/29/79/1173912979.db2.gz GSMOYWTVOWKAST-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM FC(F)C1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001592624216 1173923551 /nfs/dbraw/zinc/92/35/51/1173923551.db2.gz JATVIYJAZHOXJL-UHFFFAOYSA-N -1 1 292.702 1.678 20 0 CDADMM FC(F)C1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001592624216 1173923559 /nfs/dbraw/zinc/92/35/59/1173923559.db2.gz JATVIYJAZHOXJL-UHFFFAOYSA-N -1 1 292.702 1.678 20 0 CDADMM Cn1nccc1CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001592607462 1173926521 /nfs/dbraw/zinc/92/65/21/1173926521.db2.gz FGOMVGIZQKADPR-UHFFFAOYSA-N -1 1 296.747 1.322 20 0 CDADMM FC(F)C1(Nc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001592624919 1173932198 /nfs/dbraw/zinc/93/21/98/1173932198.db2.gz PKROTUSFPBWALN-UHFFFAOYSA-N -1 1 281.270 1.647 20 0 CDADMM FC(F)C1(Nc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001592624919 1173932200 /nfs/dbraw/zinc/93/22/00/1173932200.db2.gz PKROTUSFPBWALN-UHFFFAOYSA-N -1 1 281.270 1.647 20 0 CDADMM FC(F)c1cc(CNc2cncc(-c3nnn[n-]3)n2)no1 ZINC001592626122 1173933830 /nfs/dbraw/zinc/93/38/30/1173933830.db2.gz DRYFSXZJGKCNKQ-UHFFFAOYSA-N -1 1 294.225 1.194 20 0 CDADMM FC(F)c1cc(CNc2cncc(-c3nn[n-]n3)n2)no1 ZINC001592626122 1173933835 /nfs/dbraw/zinc/93/38/35/1173933835.db2.gz DRYFSXZJGKCNKQ-UHFFFAOYSA-N -1 1 294.225 1.194 20 0 CDADMM FC1(F)CCC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592628959 1173939489 /nfs/dbraw/zinc/93/94/89/1173939489.db2.gz YAPOXQVTUHDYJJ-MRVPVSSYSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(F)CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592628959 1173939497 /nfs/dbraw/zinc/93/94/97/1173939497.db2.gz YAPOXQVTUHDYJJ-MRVPVSSYSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(F)C[C@@]12CCCN(c1ccnc(-c3nnn[n-]3)c1)C2 ZINC001592630935 1173941325 /nfs/dbraw/zinc/94/13/25/1173941325.db2.gz UQTHSGNJXTWAAH-GFCCVEGCSA-N -1 1 292.293 1.887 20 0 CDADMM FC1(F)C[C@@]12CCCN(c1ccnc(-c3nn[n-]n3)c1)C2 ZINC001592630935 1173941330 /nfs/dbraw/zinc/94/13/30/1173941330.db2.gz UQTHSGNJXTWAAH-GFCCVEGCSA-N -1 1 292.293 1.887 20 0 CDADMM Fc1ccc(Cl)c(Cn2ccnc2-c2nnn[n-]2)c1 ZINC001592649110 1173952318 /nfs/dbraw/zinc/95/23/18/1173952318.db2.gz DQUIQSDKCWKZDE-UHFFFAOYSA-N -1 1 278.678 1.904 20 0 CDADMM Fc1ccc(Cl)c(Cn2ccnc2-c2nn[n-]n2)c1 ZINC001592649110 1173952323 /nfs/dbraw/zinc/95/23/23/1173952323.db2.gz DQUIQSDKCWKZDE-UHFFFAOYSA-N -1 1 278.678 1.904 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)O[C@H]1C=CCCC1 ZINC001592915209 1174002823 /nfs/dbraw/zinc/00/28/23/1174002823.db2.gz SEIADOPUFKIZIQ-NSHDSACASA-N -1 1 285.307 1.456 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)O[C@H]1C=CCCC1 ZINC001592915209 1174002833 /nfs/dbraw/zinc/00/28/33/1174002833.db2.gz SEIADOPUFKIZIQ-NSHDSACASA-N -1 1 285.307 1.456 20 0 CDADMM O=C(NCCc1ccco1)c1ccc(-c2nnn[n-]2)o1 ZINC001593105783 1174021561 /nfs/dbraw/zinc/02/15/61/1174021561.db2.gz RVVSPUFAQCVCKO-UHFFFAOYSA-N -1 1 273.252 1.025 20 0 CDADMM O=C(NCCc1ccco1)c1ccc(-c2nn[n-]n2)o1 ZINC001593105783 1174021564 /nfs/dbraw/zinc/02/15/64/1174021564.db2.gz RVVSPUFAQCVCKO-UHFFFAOYSA-N -1 1 273.252 1.025 20 0 CDADMM O=C(NCCC[C@@H]1CCOC1)c1coc(-c2nnn[n-]2)c1 ZINC001593067004 1174022564 /nfs/dbraw/zinc/02/25/64/1174022564.db2.gz RNRLXEFOMVWDAA-SECBINFHSA-N -1 1 291.311 1.006 20 0 CDADMM O=C(NCCC[C@@H]1CCOC1)c1coc(-c2nn[n-]n2)c1 ZINC001593067004 1174022570 /nfs/dbraw/zinc/02/25/70/1174022570.db2.gz RNRLXEFOMVWDAA-SECBINFHSA-N -1 1 291.311 1.006 20 0 CDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001593147446 1174027031 /nfs/dbraw/zinc/02/70/31/1174027031.db2.gz TVJURKLNGPHCRG-PJXYFTJBSA-N -1 1 298.350 1.314 20 0 CDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001593147446 1174027039 /nfs/dbraw/zinc/02/70/39/1174027039.db2.gz TVJURKLNGPHCRG-PJXYFTJBSA-N -1 1 298.350 1.314 20 0 CDADMM O=C(Nc1ccc(O)cc1F)c1ccc(-c2nn[n-]n2)o1 ZINC001593234980 1174036794 /nfs/dbraw/zinc/03/67/94/1174036794.db2.gz MWLZFRVPPQZICZ-UHFFFAOYSA-N -1 1 289.226 1.557 20 0 CDADMM O=C(OC[C@H]1CC1(F)F)c1coc(-c2nnn[n-]2)c1 ZINC001593285881 1174052461 /nfs/dbraw/zinc/05/24/61/1174052461.db2.gz ZIUYZCIBHQQPQA-ZCFIWIBFSA-N -1 1 270.195 1.272 20 0 CDADMM O=C(OC[C@H]1CC1(F)F)c1coc(-c2nn[n-]n2)c1 ZINC001593285881 1174052466 /nfs/dbraw/zinc/05/24/66/1174052466.db2.gz ZIUYZCIBHQQPQA-ZCFIWIBFSA-N -1 1 270.195 1.272 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)C1CC=CC1 ZINC001593301388 1174060314 /nfs/dbraw/zinc/06/03/14/1174060314.db2.gz GJHATGAIQNTTLU-UHFFFAOYSA-N -1 1 271.280 1.271 20 0 CDADMM O=C(O[C@@H]1CCCC[C@H]1F)c1ccnc(-c2nnn[n-]2)c1 ZINC001593306237 1174060641 /nfs/dbraw/zinc/06/06/41/1174060641.db2.gz RGYNVNHXKHNNAI-MWLCHTKSSA-N -1 1 291.286 1.699 20 0 CDADMM O=C(O[C@@H]1CCCC[C@H]1F)c1ccnc(-c2nn[n-]n2)c1 ZINC001593306237 1174060646 /nfs/dbraw/zinc/06/06/46/1174060646.db2.gz RGYNVNHXKHNNAI-MWLCHTKSSA-N -1 1 291.286 1.699 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCCC2(CC2)CC1 ZINC001593358400 1174072321 /nfs/dbraw/zinc/07/23/21/1174072321.db2.gz GVLGULKQVMKGCV-UHFFFAOYSA-N -1 1 298.350 1.668 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCCC2(CC2)CC1 ZINC001593358400 1174072327 /nfs/dbraw/zinc/07/23/27/1174072327.db2.gz GVLGULKQVMKGCV-UHFFFAOYSA-N -1 1 298.350 1.668 20 0 CDADMM O[C@@H](CNc1ncncc1-c1nn[n-]n1)C1CCCCC1 ZINC001593508264 1174094039 /nfs/dbraw/zinc/09/40/39/1174094039.db2.gz ZZXKXQZGBPBVQX-NSHDSACASA-N -1 1 289.343 1.010 20 0 CDADMM OC[C@H](CC1CCCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001593521648 1174098650 /nfs/dbraw/zinc/09/86/50/1174098650.db2.gz NXHFKVLSBDOQLY-JTQLQIEISA-N -1 1 289.343 1.010 20 0 CDADMM OC[C@H](CC1CCCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001593521648 1174098656 /nfs/dbraw/zinc/09/86/56/1174098656.db2.gz NXHFKVLSBDOQLY-JTQLQIEISA-N -1 1 289.343 1.010 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2C[C@H](C3CC3)[C@H]2C2CC2)c1 ZINC001593550333 1174121885 /nfs/dbraw/zinc/12/18/85/1174121885.db2.gz RONDVISNHBQNBI-BXUZGUMPSA-N -1 1 282.351 1.887 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2C[C@H](C3CC3)[C@H]2C2CC2)c1 ZINC001593550333 1174121891 /nfs/dbraw/zinc/12/18/91/1174121891.db2.gz RONDVISNHBQNBI-BXUZGUMPSA-N -1 1 282.351 1.887 20 0 CDADMM c1cc2cccc(CNc3n[nH]cc3-c3nnn[n-]3)c2[nH]1 ZINC001593554043 1174129837 /nfs/dbraw/zinc/12/98/37/1174129837.db2.gz LSUJMXJLGSDWLD-UHFFFAOYSA-N -1 1 280.295 1.683 20 0 CDADMM c1cc2cccc(CNc3n[nH]cc3-c3nn[n-]n3)c2[nH]1 ZINC001593554043 1174129842 /nfs/dbraw/zinc/12/98/42/1174129842.db2.gz LSUJMXJLGSDWLD-UHFFFAOYSA-N -1 1 280.295 1.683 20 0 CDADMM c1cc(N2CC[C@@H]([C@@H]3CCCO3)C2)cc(-c2nnn[n-]2)n1 ZINC001593557638 1174130408 /nfs/dbraw/zinc/13/04/08/1174130408.db2.gz PVKDJXDDFBMYGA-MFKMUULPSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(N2CC[C@@H]([C@@H]3CCCO3)C2)cc(-c2nn[n-]n2)n1 ZINC001593557638 1174130411 /nfs/dbraw/zinc/13/04/11/1174130411.db2.gz PVKDJXDDFBMYGA-MFKMUULPSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(NC[C@H]2C[C@@H]2C2CCCC2)cc(-c2nnn[n-]2)n1 ZINC001593557964 1174134388 /nfs/dbraw/zinc/13/43/88/1174134388.db2.gz FBTCYLRDMNZXKT-DGCLKSJQSA-N -1 1 284.367 1.922 20 0 CDADMM c1cc(NC[C@H]2C[C@@H]2C2CCCC2)cc(-c2nn[n-]n2)n1 ZINC001593557964 1174134391 /nfs/dbraw/zinc/13/43/91/1174134391.db2.gz FBTCYLRDMNZXKT-DGCLKSJQSA-N -1 1 284.367 1.922 20 0 CDADMM c1cnc2cc(Oc3ccnc(-c4nnn[n-]4)c3)ccc2n1 ZINC001593563417 1174138045 /nfs/dbraw/zinc/13/80/45/1174138045.db2.gz XWPDMUKCSIYQTM-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1cnc2cc(Oc3ccnc(-c4nn[n-]n4)c3)ccc2n1 ZINC001593563417 1174138048 /nfs/dbraw/zinc/13/80/48/1174138048.db2.gz XWPDMUKCSIYQTM-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1cc([C@@H]2C[C@H]2Nc2cnc(-c3nnn[n-]3)cn2)cs1 ZINC001593562807 1174138313 /nfs/dbraw/zinc/13/83/13/1174138313.db2.gz RPMBVPYLFGYUJD-DTWKUNHWSA-N -1 1 285.336 1.686 20 0 CDADMM c1cc([C@@H]2C[C@H]2Nc2cnc(-c3nn[n-]n3)cn2)cs1 ZINC001593562807 1174138316 /nfs/dbraw/zinc/13/83/16/1174138316.db2.gz RPMBVPYLFGYUJD-DTWKUNHWSA-N -1 1 285.336 1.686 20 0 CDADMM c1nnc(-c2nn[n-]n2)n1Cc1coc(-c2ccccc2)n1 ZINC001593567860 1174142537 /nfs/dbraw/zinc/14/25/37/1174142537.db2.gz WUIKZRMEAOYGNB-UHFFFAOYSA-N -1 1 294.278 1.162 20 0 CDADMM c1ccc2c(c1)C[C@@H]1[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H]21 ZINC001593579410 1174144395 /nfs/dbraw/zinc/14/43/95/1174144395.db2.gz GHVUWDAPKNRUDY-ZLKJLUDKSA-N -1 1 291.318 1.407 20 0 CDADMM c1ccc2c(c1)C[C@@H]1[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H]21 ZINC001593579410 1174144407 /nfs/dbraw/zinc/14/44/07/1174144407.db2.gz GHVUWDAPKNRUDY-ZLKJLUDKSA-N -1 1 291.318 1.407 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N2C[C@H]3CCCC[C@@H]3C2)c1 ZINC001593582893 1174146925 /nfs/dbraw/zinc/14/69/25/1174146925.db2.gz DTUUDVMQWXKFRY-GHMZBOCLSA-N -1 1 270.340 1.888 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N2C[C@H]3CCCC[C@@H]3C2)c1 ZINC001593582893 1174146931 /nfs/dbraw/zinc/14/69/31/1174146931.db2.gz DTUUDVMQWXKFRY-GHMZBOCLSA-N -1 1 270.340 1.888 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@H]2CC[C@@H](C3CC3)O2)n1 ZINC001593583195 1174150898 /nfs/dbraw/zinc/15/08/98/1174150898.db2.gz REPBOBJUBQNCBQ-ZJUUUORDSA-N -1 1 287.327 1.026 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@H]2CC[C@@H](C3CC3)O2)n1 ZINC001593583195 1174150908 /nfs/dbraw/zinc/15/09/08/1174150908.db2.gz REPBOBJUBQNCBQ-ZJUUUORDSA-N -1 1 287.327 1.026 20 0 CDADMM c1cncc([C@H]2CCCN2c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001593587179 1174153282 /nfs/dbraw/zinc/15/32/82/1174153282.db2.gz CRKLSEQRWYFAMV-CQSZACIVSA-N -1 1 293.334 1.998 20 0 CDADMM c1cncc([C@H]2CCCN2c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001593587179 1174153284 /nfs/dbraw/zinc/15/32/84/1174153284.db2.gz CRKLSEQRWYFAMV-CQSZACIVSA-N -1 1 293.334 1.998 20 0 CDADMM c1cc2cc(Nc3cc(-c4nnn[n-]4)ncn3)ccc2[nH]1 ZINC001593590661 1174157156 /nfs/dbraw/zinc/15/71/56/1174157156.db2.gz BHZMQVXBMAGREL-UHFFFAOYSA-N -1 1 278.279 1.882 20 0 CDADMM c1cc2cc(Nc3cc(-c4nn[n-]n4)ncn3)ccc2[nH]1 ZINC001593590661 1174157168 /nfs/dbraw/zinc/15/71/68/1174157168.db2.gz BHZMQVXBMAGREL-UHFFFAOYSA-N -1 1 278.279 1.882 20 0 CDADMM Cc1cc(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cs1 ZINC001600082848 1174356291 /nfs/dbraw/zinc/35/62/91/1174356291.db2.gz BFBPBOSKTLGCOV-UHFFFAOYSA-N -1 1 296.392 1.678 20 0 CDADMM Cc1cc(CCC(=O)N(CC(=O)[O-])C2CCCCC2)n[nH]1 ZINC001600188100 1174391498 /nfs/dbraw/zinc/39/14/98/1174391498.db2.gz AEBXKIJUGUEYFC-UHFFFAOYSA-N -1 1 293.367 1.897 20 0 CDADMM Cc1ccc([C@@H](NCc2nnc[nH]2)C(=O)[O-])cc1C ZINC001600383910 1174459112 /nfs/dbraw/zinc/45/91/12/1174459112.db2.gz BASFSPWHKCOUPG-GFCCVEGCSA-N -1 1 260.297 1.337 20 0 CDADMM Cc1ccc(NC(=O)CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1C ZINC001600448372 1174478817 /nfs/dbraw/zinc/47/88/17/1174478817.db2.gz AAPWPDFTDZDMKX-NHAGDIPZSA-N -1 1 288.347 1.504 20 0 CDADMM Cc1ccc(OC(=O)CCc2nc[nH]n2)cc1C(=O)[O-] ZINC001600465543 1174485413 /nfs/dbraw/zinc/48/54/13/1174485413.db2.gz VBXRECWUBFHFMJ-UHFFFAOYSA-N -1 1 275.264 1.350 20 0 CDADMM Cc1nc(COC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)n[nH]1 ZINC001600670944 1174557189 /nfs/dbraw/zinc/55/71/89/1174557189.db2.gz OTKUFPSSTKGIKD-UHFFFAOYSA-N -1 1 278.268 1.113 20 0 CDADMM Cc1n[nH]c(CCNC(=O)Nc2cc(C(=O)[O-])cs2)n1 ZINC001600699299 1174570830 /nfs/dbraw/zinc/57/08/30/1174570830.db2.gz WFDLGXWJAQMLOX-UHFFFAOYSA-N -1 1 295.324 1.237 20 0 CDADMM Cc1[nH+]c(N2CCC(C)(C(=O)[O-])CC2)ccc1C(=O)[O-] ZINC001600708183 1174574372 /nfs/dbraw/zinc/57/43/72/1174574372.db2.gz ICMVJOLHXPVCCI-UHFFFAOYSA-N -1 1 278.308 1.779 20 0 CDADMM Cc1nn(C(C)C)cc1CN1CC(C)(C(=O)[O-])C1 ZINC001600766190 1174600988 /nfs/dbraw/zinc/60/09/88/1174600988.db2.gz DMRMJIUXAITRPC-UHFFFAOYSA-N -1 1 251.330 1.679 20 0 CDADMM Cc1oc(C(=O)[O-])cc1CNC1(CF)CCOCC1 ZINC001600831898 1174636183 /nfs/dbraw/zinc/63/61/83/1174636183.db2.gz MKSOPIJSBGZTRU-UHFFFAOYSA-N -1 1 271.288 1.895 20 0 CDADMM Cn1c(CN2CCOCC3(CCC3)C2)ccc1C(=O)[O-] ZINC001600914133 1174661458 /nfs/dbraw/zinc/66/14/58/1174661458.db2.gz CZLSYQZFWIVAMD-UHFFFAOYSA-N -1 1 278.352 1.726 20 0 CDADMM Cn1cc(CNCc2ccccc2OCC(=O)[O-])cn1 ZINC001600954634 1174678347 /nfs/dbraw/zinc/67/83/47/1174678347.db2.gz JLMTWTZJPHOGLG-UHFFFAOYSA-N -1 1 275.308 1.173 20 0 CDADMM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1occc1C(=O)[O-] ZINC001601141012 1174761114 /nfs/dbraw/zinc/76/11/14/1174761114.db2.gz GHBSEBOWWATFGX-SBMIAAHKSA-N -1 1 278.308 1.064 20 0 CDADMM O=C([O-])c1ccc(NC(=O)CCN2CC[C@@H](F)C2)cn1 ZINC001601275034 1174822960 /nfs/dbraw/zinc/82/29/60/1174822960.db2.gz OOUDYLDJKIYIQS-SECBINFHSA-N -1 1 281.287 1.152 20 0 CDADMM O=C([O-])C1(CNC(=O)c2cc3[nH]cnc3cc2F)CC1 ZINC001601469902 1174878719 /nfs/dbraw/zinc/87/87/19/1174878719.db2.gz OLKYTAXGOISTAI-UHFFFAOYSA-N -1 1 277.255 1.297 20 0 CDADMM O=C([O-])[C@@]1(C(=O)OCc2c[nH]nn2)C[C@@H]1c1ccccc1 ZINC001601703799 1174956486 /nfs/dbraw/zinc/95/64/86/1174956486.db2.gz CFWPRHKJBOTFCE-BXUZGUMPSA-N -1 1 287.275 1.106 20 0 CDADMM O=C([O-])[C@@H]1CC(=O)N(CN2CCC3(CCCC3)CC2)C1 ZINC001601759418 1174993636 /nfs/dbraw/zinc/99/36/36/1174993636.db2.gz PGUUQCPYEQIRPA-GFCCVEGCSA-N -1 1 280.368 1.533 20 0 CDADMM 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COC(=O)c1nsc([N-]C(=O)c2ccc(OC)o2)n1 ZINC001361553272 970284622 /nfs/dbraw/zinc/28/46/22/970284622.db2.gz YJIVAWHDDQLBDU-UHFFFAOYSA-N -1 1 283.265 1.179 20 0 CDADMM CN(C(=O)c1ccc(Br)s1)c1nn[n-]n1 ZINC001361801076 970546037 /nfs/dbraw/zinc/54/60/37/970546037.db2.gz MZBOLLDVLLJJQG-UHFFFAOYSA-N -1 1 288.130 1.300 20 0 CDADMM CCOC(=O)CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001361817981 970563703 /nfs/dbraw/zinc/56/37/03/970563703.db2.gz ISFXSEUFCUQVJD-UHFFFAOYSA-N -1 1 289.287 1.544 20 0 CDADMM Cc1ncoc1CNC(=O)c1ccc(F)c([O-])c1 ZINC001472255290 970611544 /nfs/dbraw/zinc/61/15/44/970611544.db2.gz JNGSOHCWFWEMRV-UHFFFAOYSA-N -1 1 250.229 1.758 20 0 CDADMM COc1cc(C(=O)Nc2c[n-][nH]c2=O)cc2c1O[C@@H](C)C2 ZINC001472569297 970668117 /nfs/dbraw/zinc/66/81/17/970668117.db2.gz BDVYOVJGPRBLAQ-ZETCQYMHSA-N -1 1 289.291 1.700 20 0 CDADMM O=C(c1ccc([O-])cn1)N1CC(Oc2ccccc2)C1 ZINC001361913848 970669466 /nfs/dbraw/zinc/66/94/66/970669466.db2.gz POZJYQAAORIXFC-UHFFFAOYSA-N -1 1 270.288 1.691 20 0 CDADMM 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CCCCn1nnnc1CN[C@@](C)(CC)CC(=O)[O-] ZINC000829453760 602213916 /nfs/dbraw/zinc/21/39/16/602213916.db2.gz YSDVQGHMLFRUMH-LBPRGKRZSA-N -1 1 269.349 1.206 20 0 CDADMM CC[C@H](C(=O)Nc1ccc(C)c(C(=O)[O-])c1)N(C)C ZINC000828587353 604300897 /nfs/dbraw/zinc/30/08/97/604300897.db2.gz QKEAYIFBRIALKA-GFCCVEGCSA-N -1 1 264.325 1.972 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCCc3cn[nH]c32)C1 ZINC000833183088 604425283 /nfs/dbraw/zinc/42/52/83/604425283.db2.gz OVNAKUXNIZHZSI-HOSYDEDBSA-N -1 1 291.351 1.794 20 0 CDADMM CN(C)C(=O)c1ccc(CN2CCC(C(=O)[O-])CC2)[nH]1 ZINC000820534744 604518041 /nfs/dbraw/zinc/51/80/41/604518041.db2.gz BRWVEAQJWCPMIC-UHFFFAOYSA-N -1 1 279.340 1.013 20 0 CDADMM CCn1c2ccccc2nc1CN1CC[C@H](C(=O)[O-])C1 ZINC000820506344 604545988 /nfs/dbraw/zinc/54/59/88/604545988.db2.gz DVMDNLYVZRRKST-NSHDSACASA-N -1 1 273.336 1.963 20 0 CDADMM C[C@@H]1CN(C)C[C@H](C)N1C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833626032 604580771 /nfs/dbraw/zinc/58/07/71/604580771.db2.gz NYJFEGOVXSTBBG-YVECIDJPSA-N -1 1 282.384 1.428 20 0 CDADMM C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833603784 604598611 /nfs/dbraw/zinc/59/86/11/604598611.db2.gz PRWYYTWEZNWNKX-NXEZZACHSA-N -1 1 277.324 1.591 20 0 CDADMM O=C([O-])c1ccoc1CN1CCS[C@@H]2COCC[C@H]21 ZINC000833335756 604681237 /nfs/dbraw/zinc/68/12/37/604681237.db2.gz BSPZPSCERHECKF-ZYHUDNBSSA-N -1 1 283.349 1.684 20 0 CDADMM Fc1cccc(CNCc2ccc(-c3nnn[n-]3)o2)n1 ZINC000826376659 607708265 /nfs/dbraw/zinc/70/82/65/607708265.db2.gz MWJKJCBVMGTERP-UHFFFAOYSA-N -1 1 274.259 1.284 20 0 CDADMM CC(C)NC(=O)CN(CCCC(=O)[O-])Cc1ccccc1 ZINC000826970774 604785781 /nfs/dbraw/zinc/78/57/81/604785781.db2.gz BSBHYYAMYQNVNF-UHFFFAOYSA-N -1 1 292.379 1.878 20 0 CDADMM Cc1nc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cs1 ZINC000826326822 608201712 /nfs/dbraw/zinc/20/17/12/608201712.db2.gz GKNIFRZTJNYEMY-UHFFFAOYSA-N -1 1 292.349 1.945 20 0 CDADMM Cc1nc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cs1 ZINC000826326822 608201715 /nfs/dbraw/zinc/20/17/15/608201715.db2.gz GKNIFRZTJNYEMY-UHFFFAOYSA-N -1 1 292.349 1.945 20 0 CDADMM CC(C)[C@@H](C)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833468742 605101219 /nfs/dbraw/zinc/10/12/19/605101219.db2.gz KCBWDQSRWCABCC-NWDGAFQWSA-N -1 1 270.373 1.286 20 0 CDADMM CC1CC(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)C1 ZINC000833589600 605105202 /nfs/dbraw/zinc/10/52/02/605105202.db2.gz LNXGWNUSVLUCAM-MOENNCHZSA-N -1 1 268.357 1.040 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C=C1CCCCC1 ZINC000833622410 605109298 /nfs/dbraw/zinc/10/92/98/605109298.db2.gz PFAGWROVMBAQOQ-ZDUSSCGKSA-N -1 1 294.395 1.884 20 0 CDADMM C[C@H](C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)C(F)(F)F ZINC000833621741 605111866 /nfs/dbraw/zinc/11/18/66/605111866.db2.gz NQNXMTKLWSNQNO-DTWKUNHWSA-N -1 1 296.289 1.192 20 0 CDADMM CNC(=O)[C@H](NCc1cc(C)c(C(=O)[O-])o1)C(C)C ZINC000833699177 605140175 /nfs/dbraw/zinc/14/01/75/605140175.db2.gz HMADECSUTHNYBB-SNVBAGLBSA-N -1 1 268.313 1.146 20 0 CDADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c(C)o1 ZINC000833741908 605259536 /nfs/dbraw/zinc/25/95/36/605259536.db2.gz BVBKOYDQONXKJD-JTQLQIEISA-N -1 1 294.351 1.517 20 0 CDADMM Cc1nn(C)c(C)c1CN(C)C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC000833575578 605340957 /nfs/dbraw/zinc/34/09/57/605340957.db2.gz BDDXVTQYHJGYTP-GFCCVEGCSA-N -1 1 293.367 1.616 20 0 CDADMM CC(=O)NC1CCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC000231028453 605831073 /nfs/dbraw/zinc/83/10/73/605831073.db2.gz YDJXRYCIDWOHGT-UHFFFAOYSA-N -1 1 294.326 1.624 20 0 CDADMM CCO[C@H](CCNc1nccnc1-c1nnn[n-]1)C(C)C ZINC000821351136 606041048 /nfs/dbraw/zinc/04/10/48/606041048.db2.gz LOUVCFXNYAEYJK-SNVBAGLBSA-N -1 1 291.359 1.520 20 0 CDADMM CCO[C@H](CCNc1nccnc1-c1nn[n-]n1)C(C)C ZINC000821351136 606041050 /nfs/dbraw/zinc/04/10/50/606041050.db2.gz LOUVCFXNYAEYJK-SNVBAGLBSA-N -1 1 291.359 1.520 20 0 CDADMM Cc1nsc(N(C)C(=O)[C@@H]2C[C@@H]2C)c1-c1nnn[n-]1 ZINC000822530555 606236747 /nfs/dbraw/zinc/23/67/47/606236747.db2.gz HGRCEEQUZXOGFK-CAHLUQPWSA-N -1 1 278.341 1.250 20 0 CDADMM Cc1nsc(N(C)C(=O)[C@@H]2C[C@@H]2C)c1-c1nn[n-]n1 ZINC000822530555 606236749 /nfs/dbraw/zinc/23/67/49/606236749.db2.gz HGRCEEQUZXOGFK-CAHLUQPWSA-N -1 1 278.341 1.250 20 0 CDADMM Cc1cncc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000822400117 606293148 /nfs/dbraw/zinc/29/31/48/606293148.db2.gz WYVYGPMKKANLOI-UHFFFAOYSA-N -1 1 296.290 1.528 20 0 CDADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)sn1 ZINC000822209646 606298019 /nfs/dbraw/zinc/29/80/19/606298019.db2.gz QPHQJPUWZLYEGL-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)sn1 ZINC000822209646 606298020 /nfs/dbraw/zinc/29/80/20/606298020.db2.gz QPHQJPUWZLYEGL-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM COC(=O)[C@@H](C)Sc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821640222 606446606 /nfs/dbraw/zinc/44/66/06/606446606.db2.gz CXKBAYBSVRCUCX-RXMQYKEDSA-N -1 1 299.743 1.569 20 0 CDADMM COC(=O)[C@@H](C)Sc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821640222 606446608 /nfs/dbraw/zinc/44/66/08/606446608.db2.gz CXKBAYBSVRCUCX-RXMQYKEDSA-N -1 1 299.743 1.569 20 0 CDADMM C[C@@H](O)[C@@H](C)Sc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820467840 606469930 /nfs/dbraw/zinc/46/99/30/606469930.db2.gz NHJGMEHAFITPIL-PHDIDXHHSA-N -1 1 285.760 1.777 20 0 CDADMM C[C@@H](O)[C@@H](C)Sc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820467840 606469932 /nfs/dbraw/zinc/46/99/32/606469932.db2.gz NHJGMEHAFITPIL-PHDIDXHHSA-N -1 1 285.760 1.777 20 0 CDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)c1ccncc1 ZINC000820280539 606476979 /nfs/dbraw/zinc/47/69/79/606476979.db2.gz IWCVUNZNMBWDJY-VIFPVBQESA-N -1 1 282.311 1.267 20 0 CDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)c1ccncc1 ZINC000820280539 606476981 /nfs/dbraw/zinc/47/69/81/606476981.db2.gz IWCVUNZNMBWDJY-VIFPVBQESA-N -1 1 282.311 1.267 20 0 CDADMM Cc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)s1 ZINC000822226382 606531051 /nfs/dbraw/zinc/53/10/51/606531051.db2.gz PTSFVMSHPDIOFY-UHFFFAOYSA-N -1 1 275.297 1.212 20 0 CDADMM Cc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)s1 ZINC000822226382 606531052 /nfs/dbraw/zinc/53/10/52/606531052.db2.gz PTSFVMSHPDIOFY-UHFFFAOYSA-N -1 1 275.297 1.212 20 0 CDADMM CC(C)[C@](C)(O)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820017401 606578505 /nfs/dbraw/zinc/57/85/05/606578505.db2.gz WHOIFGUJAHUJMZ-GFCCVEGCSA-N -1 1 295.368 1.065 20 0 CDADMM CC(C)[C@](C)(O)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820017401 606578507 /nfs/dbraw/zinc/57/85/07/606578507.db2.gz WHOIFGUJAHUJMZ-GFCCVEGCSA-N -1 1 295.368 1.065 20 0 CDADMM CSCCCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821961971 606648863 /nfs/dbraw/zinc/64/88/63/606648863.db2.gz MVVAPZXDWLZXGR-UHFFFAOYSA-N -1 1 293.352 1.448 20 0 CDADMM CSCCCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821961971 606648864 /nfs/dbraw/zinc/64/88/64/606648864.db2.gz MVVAPZXDWLZXGR-UHFFFAOYSA-N -1 1 293.352 1.448 20 0 CDADMM CCC[C@@H](C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821016100 606652652 /nfs/dbraw/zinc/65/26/52/606652652.db2.gz VIKHNCSGQCXNJN-SECBINFHSA-N -1 1 275.312 1.741 20 0 CDADMM CCC[C@@H](C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821016100 606652653 /nfs/dbraw/zinc/65/26/53/606652653.db2.gz VIKHNCSGQCXNJN-SECBINFHSA-N -1 1 275.312 1.741 20 0 CDADMM COc1cc(C=O)ccc1Oc1cccc(-c2nnn[n-]2)n1 ZINC000826179022 607894818 /nfs/dbraw/zinc/89/48/18/607894818.db2.gz VKDPUNLICLUQPJ-UHFFFAOYSA-N -1 1 297.274 1.875 20 0 CDADMM COc1cc(C=O)ccc1Oc1cccc(-c2nn[n-]n2)n1 ZINC000826179022 607894819 /nfs/dbraw/zinc/89/48/19/607894819.db2.gz VKDPUNLICLUQPJ-UHFFFAOYSA-N -1 1 297.274 1.875 20 0 CDADMM O[C@H]1Cc2ccccc2[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000823727072 607895942 /nfs/dbraw/zinc/89/59/42/607895942.db2.gz MQZMJCHNBDBIHO-GXTWGEPZSA-N -1 1 294.318 1.332 20 0 CDADMM O[C@H]1Cc2ccccc2[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000823727072 607895943 /nfs/dbraw/zinc/89/59/43/607895943.db2.gz MQZMJCHNBDBIHO-GXTWGEPZSA-N -1 1 294.318 1.332 20 0 CDADMM COc1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1O ZINC000826203919 607896456 /nfs/dbraw/zinc/89/64/56/607896456.db2.gz MJLUVZBEDPWNSV-UHFFFAOYSA-N -1 1 298.306 1.588 20 0 CDADMM COc1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1O ZINC000826203919 607896457 /nfs/dbraw/zinc/89/64/57/607896457.db2.gz MJLUVZBEDPWNSV-UHFFFAOYSA-N -1 1 298.306 1.588 20 0 CDADMM CCN(Cc1cnn(C)c1)c1cccc(-c2nnn[n-]2)n1 ZINC000825444122 607897531 /nfs/dbraw/zinc/89/75/31/607897531.db2.gz JEOAASFTCCISTO-UHFFFAOYSA-N -1 1 284.327 1.022 20 0 CDADMM CCN(Cc1cnn(C)c1)c1cccc(-c2nn[n-]n2)n1 ZINC000825444122 607897532 /nfs/dbraw/zinc/89/75/32/607897532.db2.gz JEOAASFTCCISTO-UHFFFAOYSA-N -1 1 284.327 1.022 20 0 CDADMM CCOC(=O)C[C@H](C)Sc1cccc(-c2nnn[n-]2)n1 ZINC000825505982 607899709 /nfs/dbraw/zinc/89/97/09/607899709.db2.gz AUVJJIOMNJBOMB-QMMMGPOBSA-N -1 1 293.352 1.696 20 0 CDADMM CCOC(=O)C[C@H](C)Sc1cccc(-c2nn[n-]n2)n1 ZINC000825505982 607899710 /nfs/dbraw/zinc/89/97/10/607899710.db2.gz AUVJJIOMNJBOMB-QMMMGPOBSA-N -1 1 293.352 1.696 20 0 CDADMM CC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC000825146673 607904453 /nfs/dbraw/zinc/90/44/53/607904453.db2.gz FEAZXLLIMKDHPW-KOLCDFICSA-N -1 1 274.328 1.631 20 0 CDADMM CC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC000825146673 607904454 /nfs/dbraw/zinc/90/44/54/607904454.db2.gz FEAZXLLIMKDHPW-KOLCDFICSA-N -1 1 274.328 1.631 20 0 CDADMM CC[C@H](OC(=O)c1sccc1-c1nn[n-]n1)C(=O)OC ZINC000825154161 608104046 /nfs/dbraw/zinc/10/40/46/608104046.db2.gz MDGOLNDCBOUSLH-ZETCQYMHSA-N -1 1 296.308 1.037 20 0 CDADMM C[C@@H]1CCC[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824925450 608142638 /nfs/dbraw/zinc/14/26/38/608142638.db2.gz CULFCXJTEOOHGS-KOLCDFICSA-N -1 1 287.323 1.741 20 0 CDADMM C[C@@H]1CCC[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824925450 608142639 /nfs/dbraw/zinc/14/26/39/608142639.db2.gz CULFCXJTEOOHGS-KOLCDFICSA-N -1 1 287.323 1.741 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CC[C@H](C3CC3)C2)c1 ZINC000826514669 608152224 /nfs/dbraw/zinc/15/22/24/608152224.db2.gz ZBABVMIDAUIHDR-JTQLQIEISA-N -1 1 256.313 1.498 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CC[C@H](C3CC3)C2)c1 ZINC000826514669 608152226 /nfs/dbraw/zinc/15/22/26/608152226.db2.gz ZBABVMIDAUIHDR-JTQLQIEISA-N -1 1 256.313 1.498 20 0 CDADMM Cc1cc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)no1 ZINC000826265628 608395666 /nfs/dbraw/zinc/39/56/66/608395666.db2.gz HNIDBLAJMUFDEQ-LLVKDONJSA-N -1 1 298.310 1.295 20 0 CDADMM Cc1cc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)no1 ZINC000826265628 608395667 /nfs/dbraw/zinc/39/56/67/608395667.db2.gz HNIDBLAJMUFDEQ-LLVKDONJSA-N -1 1 298.310 1.295 20 0 CDADMM CCOC(=O)[C@H](C)N(C)Cc1ccc(-c2nn[n-]n2)s1 ZINC000825485257 608693822 /nfs/dbraw/zinc/69/38/22/608693822.db2.gz FXYUZYPOBMUCFS-QMMMGPOBSA-N -1 1 295.368 1.312 20 0 CDADMM C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)c1ccc([O-])cc1 ZINC000807271400 617324258 /nfs/dbraw/zinc/32/42/58/617324258.db2.gz VVXGQUWSSHIRGB-NSHDSACASA-N -1 1 276.336 1.175 20 0 CDADMM Cc1nc([C@H](C)NC(=O)c2cccc(Cl)c2[O-])n[nH]1 ZINC000804814435 617335140 /nfs/dbraw/zinc/33/51/40/617335140.db2.gz VOWXLUGTSCOMKP-LURJTMIESA-N -1 1 280.715 1.963 20 0 CDADMM CSCC(C)(C)NC(=O)c1ncc(C)cc1[O-] ZINC000890874019 617344050 /nfs/dbraw/zinc/34/40/50/617344050.db2.gz IJVXSVQZMDTUCQ-UHFFFAOYSA-N -1 1 254.355 1.967 20 0 CDADMM COCc1nc(NCC[C@H]2CCO[C@H](C)C2)cc(=O)[n-]1 ZINC000893138138 617403228 /nfs/dbraw/zinc/40/32/28/617403228.db2.gz GGQCPZMQIRTDCW-MNOVXSKESA-N -1 1 281.356 1.946 20 0 CDADMM CC[C@@H](C)[C@@](C)(O)CNc1cc(=O)[n-]c(COC)n1 ZINC000892501392 617437583 /nfs/dbraw/zinc/43/75/83/617437583.db2.gz IEIDUKWSXHDJSZ-RNCFNFMXSA-N -1 1 269.345 1.538 20 0 CDADMM CC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000945619742 613964772 /nfs/dbraw/zinc/96/47/72/613964772.db2.gz CAONDCPRSNBTDA-JQWIXIFHSA-N -1 1 291.351 1.164 20 0 CDADMM CC(=O)N[C@H]1CC[C@H](CNC(=O)c2ncccc2[O-])CC1 ZINC000963896764 614018291 /nfs/dbraw/zinc/01/82/91/614018291.db2.gz RKUKCYDHURGCNN-HAQNSBGRSA-N -1 1 291.351 1.212 20 0 CDADMM CCCCOCCNc1cc(=O)[n-]c(COC)n1 ZINC000892076292 617464820 /nfs/dbraw/zinc/46/48/20/617464820.db2.gz WHKUFYSDIIVGIR-UHFFFAOYSA-N -1 1 255.318 1.557 20 0 CDADMM COCc1nc(N(C)C2CCC(OC)CC2)cc(=O)[n-]1 ZINC000892552019 617498536 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/nfs/dbraw/zinc/69/60/69/1163696069.db2.gz GHKWHGKVPNRWSM-MRVPVSSYSA-N -1 1 280.282 1.662 20 0 CDADMM Cc1ccc(N[C@@H](C)C[C@@H]2CCOC2)c(-c2nnn[n-]2)n1 ZINC001605871946 1163700414 /nfs/dbraw/zinc/70/04/14/1163700414.db2.gz OPIDLTQMNBVXRG-QWRGUYRKSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(N[C@@H](C)C[C@@H]2CCOC2)c(-c2nn[n-]n2)n1 ZINC001605871946 1163700420 /nfs/dbraw/zinc/70/04/20/1163700420.db2.gz OPIDLTQMNBVXRG-QWRGUYRKSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccsc1CNc1n[nH]c(C)c1-c1nnn[n-]1 ZINC001605972525 1163733067 /nfs/dbraw/zinc/73/30/67/1163733067.db2.gz QIVFFEJWAOCCKI-UHFFFAOYSA-N -1 1 275.341 1.880 20 0 CDADMM CN(C(=O)c1cc(C(=O)[O-])co1)[C@H]1CC[N@H+](C2CC2)C1 ZINC001605979426 1163734260 /nfs/dbraw/zinc/73/42/60/1163734260.db2.gz GCFAURNEFNUJPA-NSHDSACASA-N -1 1 278.308 1.287 20 0 CDADMM CN(C(=O)c1cc(C(=O)[O-])co1)[C@H]1CCN(C2CC2)C1 ZINC001605979426 1163734267 /nfs/dbraw/zinc/73/42/67/1163734267.db2.gz GCFAURNEFNUJPA-NSHDSACASA-N -1 1 278.308 1.287 20 0 CDADMM CN(C)C(=O)N(C)[C@H]1CCN(Cc2ccoc2C(=O)[O-])C1 ZINC001606004361 1163741188 /nfs/dbraw/zinc/74/11/88/1163741188.db2.gz NCUQEZUDGMLNSO-NSHDSACASA-N -1 1 295.339 1.166 20 0 CDADMM Cc1nc(NC2CCC(C)(O)CC2)cc(-c2nnn[n-]2)n1 ZINC001606064371 1163760925 /nfs/dbraw/zinc/76/09/25/1163760925.db2.gz XZUWDDSAXBLMQI-UHFFFAOYSA-N -1 1 289.343 1.071 20 0 CDADMM Cc1nc(NC2CCC(C)(O)CC2)cc(-c2nn[n-]n2)n1 ZINC001606064371 1163760932 /nfs/dbraw/zinc/76/09/32/1163760932.db2.gz XZUWDDSAXBLMQI-UHFFFAOYSA-N -1 1 289.343 1.071 20 0 CDADMM Cc1nocc1NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606137574 1163784454 /nfs/dbraw/zinc/78/44/54/1163784454.db2.gz PHECCWMVAMNUPO-UHFFFAOYSA-N -1 1 286.255 1.202 20 0 CDADMM Cc1nocc1NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606137574 1163784457 /nfs/dbraw/zinc/78/44/57/1163784457.db2.gz PHECCWMVAMNUPO-UHFFFAOYSA-N -1 1 286.255 1.202 20 0 CDADMM Cc1nsc(N(C)Cc2ccon2)c1-c1nn[n-]n1 ZINC001606140081 1163785928 /nfs/dbraw/zinc/78/59/28/1163785928.db2.gz BEINDLPWPVRTOS-UHFFFAOYSA-N -1 1 277.313 1.256 20 0 CDADMM Clc1nsc(NCc2ccccn2)c1-c1nnn[n-]1 ZINC001606200720 1163804984 /nfs/dbraw/zinc/80/49/84/1163804984.db2.gz BLWPMCDLMMQBIW-UHFFFAOYSA-N -1 1 293.743 1.984 20 0 CDADMM Clc1nsc(NCc2ccccn2)c1-c1nn[n-]n1 ZINC001606200720 1163804990 /nfs/dbraw/zinc/80/49/90/1163804990.db2.gz BLWPMCDLMMQBIW-UHFFFAOYSA-N -1 1 293.743 1.984 20 0 CDADMM FC1(F)CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001606301676 1163847814 /nfs/dbraw/zinc/84/78/14/1163847814.db2.gz WMGGHFFVRBGEMH-UHFFFAOYSA-N -1 1 293.281 1.282 20 0 CDADMM Fc1cccc(NOC[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC001606329024 1163862707 /nfs/dbraw/zinc/86/27/07/1163862707.db2.gz WTHKHOLRDAUUPT-MRVPVSSYSA-N -1 1 279.275 1.386 20 0 CDADMM COC(=O)c1cnoc1CNC1(CC(=O)[O-])CCCC1 ZINC001606631094 1163941371 /nfs/dbraw/zinc/94/13/71/1163941371.db2.gz NJKURMHGUKKYEZ-UHFFFAOYSA-N -1 1 282.296 1.338 20 0 CDADMM O=C(NC1CCCCCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606660393 1163951024 /nfs/dbraw/zinc/95/10/24/1163951024.db2.gz CQUNIFPSIYVUPD-UHFFFAOYSA-N -1 1 286.339 1.714 20 0 CDADMM O=C(NC1CCCCCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606660393 1163951028 /nfs/dbraw/zinc/95/10/28/1163951028.db2.gz CQUNIFPSIYVUPD-UHFFFAOYSA-N -1 1 286.339 1.714 20 0 CDADMM O=C(NCC[C@@H]1CC=CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606761215 1163985968 /nfs/dbraw/zinc/98/59/68/1163985968.db2.gz LOHJBIGWJFMHBI-LLVKDONJSA-N -1 1 298.350 1.738 20 0 CDADMM O=C(NCC[C@@H]1CC=CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606761215 1163985977 /nfs/dbraw/zinc/98/59/77/1163985977.db2.gz LOHJBIGWJFMHBI-LLVKDONJSA-N -1 1 298.350 1.738 20 0 CDADMM COCC[C@H](COC)N[C@@H](C(=O)[O-])c1ccsc1 ZINC001606857077 1164018147 /nfs/dbraw/zinc/01/81/47/1164018147.db2.gz YVLDYGMRYHTLRD-GHMZBOCLSA-N -1 1 273.354 1.515 20 0 CDADMM c1[nH]nc(NCc2cc3cccnc3o2)c1-c1nnn[n-]1 ZINC001607135850 1164114436 /nfs/dbraw/zinc/11/44/36/1164114436.db2.gz HQNOZCCZNSTZBU-UHFFFAOYSA-N -1 1 282.267 1.343 20 0 CDADMM c1[nH]nc(NCc2cc3cccnc3o2)c1-c1nn[n-]n1 ZINC001607135850 1164114440 /nfs/dbraw/zinc/11/44/40/1164114440.db2.gz HQNOZCCZNSTZBU-UHFFFAOYSA-N -1 1 282.267 1.343 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NCC1CCSCC1 ZINC001607136226 1164116537 /nfs/dbraw/zinc/11/65/37/1164116537.db2.gz AHNFCAQLYQWFCN-UHFFFAOYSA-N -1 1 277.357 1.212 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NCC1CCSCC1 ZINC001607136226 1164116539 /nfs/dbraw/zinc/11/65/39/1164116539.db2.gz AHNFCAQLYQWFCN-UHFFFAOYSA-N -1 1 277.357 1.212 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NC[C@@H]2CCCC23CC3)n1 ZINC001607138952 1164120583 /nfs/dbraw/zinc/12/05/83/1164120583.db2.gz PNOZVPDGPXALFS-VIFPVBQESA-N -1 1 271.328 1.649 20 0 CDADMM Cc1nc[nH]c1C(=O)Nc1cc(CCC(=O)[O-])ccc1O ZINC001607499401 1164210350 /nfs/dbraw/zinc/21/03/50/1164210350.db2.gz LATZMIBLJGHVBH-UHFFFAOYSA-N -1 1 289.291 1.693 20 0 CDADMM Cc1c(NC(=O)N2CCN[C@H](C)C2)cccc1C(=O)[O-] ZINC001607544509 1164221602 /nfs/dbraw/zinc/22/16/02/1164221602.db2.gz OFUKWBDMMZCBHQ-SECBINFHSA-N -1 1 277.324 1.519 20 0 CDADMM Cc1cnc(C(=O)Nc2ccc(C(=O)[O-])nc2)c(O)c1 ZINC001607904896 1164330728 /nfs/dbraw/zinc/33/07/28/1164330728.db2.gz BJDXMBVBPZBOFI-UHFFFAOYSA-N -1 1 273.248 1.441 20 0 CDADMM Cc1nc([C@@H](C)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)n[nH]1 ZINC001607935728 1164343856 /nfs/dbraw/zinc/34/38/56/1164343856.db2.gz XMEGZDKITGAGFV-LHLIQPBNSA-N -1 1 292.261 1.513 20 0 CDADMM Cn1ccc(-c2nc(CN3CC[C@@H](C(=O)[O-])C3)cs2)n1 ZINC001608123147 1164416811 /nfs/dbraw/zinc/41/68/11/1164416811.db2.gz MPYXOEBKYHFERP-SECBINFHSA-N -1 1 292.364 1.450 20 0 CDADMM Cn1cccc1CN1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001608129143 1164419007 /nfs/dbraw/zinc/41/90/07/1164419007.db2.gz FZGFMFCFWBUREX-UHFFFAOYSA-N -1 1 292.379 1.607 20 0 CDADMM Cn1nc(CN[C@@](C)(CCF)C(=O)[O-])cc1C(F)(F)F ZINC001608148849 1164425617 /nfs/dbraw/zinc/42/56/17/1164425617.db2.gz UVRLUDAUOMLKSE-JTQLQIEISA-N -1 1 297.252 1.731 20 0 CDADMM Cn1ncc(CN[C@@H](CC(F)(F)F)C(=O)[O-])c1Cl ZINC001608157889 1164428418 /nfs/dbraw/zinc/42/84/18/1164428418.db2.gz QYTMSIYXVMICNR-LURJTMIESA-N -1 1 285.653 1.569 20 0 CDADMM NC(=O)[C@H](F)C1CCN(Cc2occc2C(=O)[O-])CC1 ZINC001608228363 1164461738 /nfs/dbraw/zinc/46/17/38/1164461738.db2.gz PQRNNQCEQRFKIB-LLVKDONJSA-N -1 1 284.287 1.013 20 0 CDADMM NC1(c2noc(-c3c[nH]c(C(=O)[O-])c3)n2)CCCC1 ZINC001608250504 1164466506 /nfs/dbraw/zinc/46/65/06/1164466506.db2.gz ICUOBKOTKWKIAY-UHFFFAOYSA-N -1 1 262.269 1.491 20 0 CDADMM O=C([O-])c1ccc(NC(=O)NCCN2CC=CCC2)nc1 ZINC001608445653 1164518653 /nfs/dbraw/zinc/51/86/53/1164518653.db2.gz WRZMGWVMQAKZCF-UHFFFAOYSA-N -1 1 290.323 1.163 20 0 CDADMM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1cc(F)cc(F)c1O ZINC001608490369 1164526433 /nfs/dbraw/zinc/52/64/33/1164526433.db2.gz DXNHVTKGCLKMEU-MUWHJKNJSA-N -1 1 271.219 1.263 20 0 CDADMM O=C([O-])[C@@H](CF)NCc1cccc(Br)c1 ZINC001608534231 1164537154 /nfs/dbraw/zinc/53/71/54/1164537154.db2.gz RHJIPPHDVIIOLY-SECBINFHSA-N -1 1 276.105 1.961 20 0 CDADMM O=C([O-])[C@@H](c1ccccc1F)N1CCc2cn[nH]c2C1 ZINC001608561917 1164546521 /nfs/dbraw/zinc/54/65/21/1164546521.db2.gz HPVRQBSPVZLUSD-CYBMUJFWSA-N -1 1 275.283 1.733 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](O)CN1Cc1nccc2ccccc21 ZINC001608607521 1164571090 /nfs/dbraw/zinc/57/10/90/1164571090.db2.gz NEMXETFOMQQHHW-BXUZGUMPSA-N -1 1 272.304 1.255 20 0 CDADMM O=C([O-])[C@H]1C[C@H](O)CN1Cc1cccc(-c2ccccn2)c1 ZINC001608608228 1164571650 /nfs/dbraw/zinc/57/16/50/1164571650.db2.gz WBNIMSKYNJCNJB-GOEBONIOSA-N -1 1 298.342 1.768 20 0 CDADMM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCN1C1CC1 ZINC001608770319 1164632241 /nfs/dbraw/zinc/63/22/41/1164632241.db2.gz SNTGVUJWHYKKNL-UHTWSYAYSA-N -1 1 280.368 1.373 20 0 CDADMM O=C([O-])Cc1ccccc1CNC(=O)CCc1cnc[nH]1 ZINC001608789115 1164636812 /nfs/dbraw/zinc/63/68/12/1164636812.db2.gz QVTOILVCVVNXPM-UHFFFAOYSA-N -1 1 287.319 1.286 20 0 CDADMM O=C([O-])c1ccc(NC(=O)[C@H]2CCCc3n[nH]nc32)s1 ZINC001608899801 1164679669 /nfs/dbraw/zinc/67/96/69/1164679669.db2.gz KGTUKZKPNFZOBS-LURJTMIESA-N -1 1 292.320 1.623 20 0 CDADMM O=C([O-])c1ccc(CN2CCC([C@@H]3COC(=O)N3)CC2)[nH]1 ZINC001609044431 1164739721 /nfs/dbraw/zinc/73/97/21/1164739721.db2.gz VHXNHHHMMTVBSN-LBPRGKRZSA-N -1 1 293.323 1.033 20 0 CDADMM C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2cccc(-c3nnn[n-]3)n2)O1 ZINC001609154135 1164803514 /nfs/dbraw/zinc/80/35/14/1164803514.db2.gz KHZCKGPATGWEDK-RNSXUZJQSA-N -1 1 288.311 1.014 20 0 CDADMM C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2cccc(-c3nn[n-]n3)n2)O1 ZINC001609154135 1164803520 /nfs/dbraw/zinc/80/35/20/1164803520.db2.gz KHZCKGPATGWEDK-RNSXUZJQSA-N -1 1 288.311 1.014 20 0 CDADMM C[C@@H]1C[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001609157661 1164806106 /nfs/dbraw/zinc/80/61/06/1164806106.db2.gz VAHORPWPBAKNJZ-BDAKNGLRSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001609157661 1164806114 /nfs/dbraw/zinc/80/61/14/1164806114.db2.gz VAHORPWPBAKNJZ-BDAKNGLRSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@@H]1CCC[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)[C@@H]1C ZINC001609164429 1164811506 /nfs/dbraw/zinc/81/15/06/1164811506.db2.gz RGHFRNYOVSUYCK-CKYFFXLPSA-N -1 1 272.356 1.920 20 0 CDADMM C[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)[C@@H]1C ZINC001609164429 1164811514 /nfs/dbraw/zinc/81/15/14/1164811514.db2.gz RGHFRNYOVSUYCK-CKYFFXLPSA-N -1 1 272.356 1.920 20 0 CDADMM C[C@H]1CCN(c2cccnc2-c2nnn[n-]2)C[C@H]1F ZINC001609168621 1164812353 /nfs/dbraw/zinc/81/23/53/1164812353.db2.gz IQXRXHPJNKUILG-DTWKUNHWSA-N -1 1 262.292 1.446 20 0 CDADMM C[C@H]1CCN(c2cccnc2-c2nn[n-]n2)C[C@H]1F ZINC001609168621 1164812358 /nfs/dbraw/zinc/81/23/58/1164812358.db2.gz IQXRXHPJNKUILG-DTWKUNHWSA-N -1 1 262.292 1.446 20 0 CDADMM C[C@H]1CSCCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609177854 1164821579 /nfs/dbraw/zinc/82/15/79/1164821579.db2.gz FZSFJDQPBGYVFX-ZETCQYMHSA-N -1 1 295.393 1.506 20 0 CDADMM CC[C@H]1[C@@H](C)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001609199407 1164838274 /nfs/dbraw/zinc/83/82/74/1164838274.db2.gz WAARWZVFELHVDB-WPRPVWTQSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@H]1[C@@H](C)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001609199407 1164838277 /nfs/dbraw/zinc/83/82/77/1164838277.db2.gz WAARWZVFELHVDB-WPRPVWTQSA-N -1 1 259.317 1.282 20 0 CDADMM CCC[C@@H]1CCCCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001609206521 1164844719 /nfs/dbraw/zinc/84/47/19/1164844719.db2.gz CCEAHNGBTBCNOL-SNVBAGLBSA-N -1 1 273.344 1.816 20 0 CDADMM CCC[C@@H]1CCCCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001609206521 1164844727 /nfs/dbraw/zinc/84/47/27/1164844727.db2.gz CCEAHNGBTBCNOL-SNVBAGLBSA-N -1 1 273.344 1.816 20 0 CDADMM CCc1ccnc(CNc2cccnc2-c2nnn[n-]2)c1 ZINC001609253727 1164868044 /nfs/dbraw/zinc/86/80/44/1164868044.db2.gz JWKJESIDKBNINA-UHFFFAOYSA-N -1 1 281.323 1.831 20 0 CDADMM CCc1ccnc(CNc2cccnc2-c2nn[n-]n2)c1 ZINC001609253727 1164868047 /nfs/dbraw/zinc/86/80/47/1164868047.db2.gz JWKJESIDKBNINA-UHFFFAOYSA-N -1 1 281.323 1.831 20 0 CDADMM CO[C@@H]1CCN(c2cc(C)nc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001609314748 1164893269 /nfs/dbraw/zinc/89/32/69/1164893269.db2.gz RYNWGPKMZSLDPC-NOZJJQNGSA-N -1 1 288.355 1.431 20 0 CDADMM CO[C@@H]1CCN(c2cc(C)nc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001609314748 1164893277 /nfs/dbraw/zinc/89/32/77/1164893277.db2.gz RYNWGPKMZSLDPC-NOZJJQNGSA-N -1 1 288.355 1.431 20 0 CDADMM COc1ccccc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609364360 1164910802 /nfs/dbraw/zinc/91/08/02/1164910802.db2.gz JEMVLHLXXBYMRU-UHFFFAOYSA-N -1 1 296.290 1.523 20 0 CDADMM COc1ccccc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609364360 1164910806 /nfs/dbraw/zinc/91/08/06/1164910806.db2.gz JEMVLHLXXBYMRU-UHFFFAOYSA-N -1 1 296.290 1.523 20 0 CDADMM COc1ccccc1CNc1cccnc1-c1nnn[n-]1 ZINC001609364003 1164911841 /nfs/dbraw/zinc/91/18/41/1164911841.db2.gz MAKJZFCRSXFRND-UHFFFAOYSA-N -1 1 282.307 1.882 20 0 CDADMM COc1ccccc1CNc1cccnc1-c1nn[n-]n1 ZINC001609364003 1164911848 /nfs/dbraw/zinc/91/18/48/1164911848.db2.gz MAKJZFCRSXFRND-UHFFFAOYSA-N -1 1 282.307 1.882 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCCOC2CCCC2)n1 ZINC001609392405 1164924758 /nfs/dbraw/zinc/92/47/58/1164924758.db2.gz PBMDQRMIAURSSN-UHFFFAOYSA-N -1 1 289.343 1.336 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCCOC2CCCC2)n1 ZINC001609392405 1164924765 /nfs/dbraw/zinc/92/47/65/1164924765.db2.gz PBMDQRMIAURSSN-UHFFFAOYSA-N -1 1 289.343 1.336 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2C[C@@H](C)O[C@@H]2C)n1 ZINC001609392105 1164926918 /nfs/dbraw/zinc/92/69/18/1164926918.db2.gz GZVKDAVRVKCZTL-BBBLOLIVSA-N -1 1 289.343 1.191 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2C[C@@H](C)O[C@@H]2C)n1 ZINC001609392105 1164926924 /nfs/dbraw/zinc/92/69/24/1164926924.db2.gz GZVKDAVRVKCZTL-BBBLOLIVSA-N -1 1 289.343 1.191 20 0 CDADMM Cc1cc(COc2ccc(F)nc2-c2nn[n-]n2)nn1C ZINC001609402474 1164931400 /nfs/dbraw/zinc/93/14/00/1164931400.db2.gz GKHSUXZIWHEAMP-UHFFFAOYSA-N -1 1 289.274 1.022 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(C)cn1 ZINC001609426678 1164942042 /nfs/dbraw/zinc/94/20/42/1164942042.db2.gz JKQHCJKZVDDIKD-UHFFFAOYSA-N -1 1 284.279 1.724 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(C)cn1 ZINC001609426678 1164942050 /nfs/dbraw/zinc/94/20/50/1164942050.db2.gz JKQHCJKZVDDIKD-UHFFFAOYSA-N -1 1 284.279 1.724 20 0 CDADMM Cc1ccc(N2CC[C@H](CCCO)C2)nc1-c1nnn[n-]1 ZINC001609424957 1164942773 /nfs/dbraw/zinc/94/27/73/1164942773.db2.gz QEGUQTPLUOBWEZ-NSHDSACASA-N -1 1 288.355 1.169 20 0 CDADMM Cc1ccc(N2CC[C@H](CCCO)C2)nc1-c1nn[n-]n1 ZINC001609424957 1164942776 /nfs/dbraw/zinc/94/27/76/1164942776.db2.gz QEGUQTPLUOBWEZ-NSHDSACASA-N -1 1 288.355 1.169 20 0 CDADMM Cc1csc(NC(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001609443546 1164951036 /nfs/dbraw/zinc/95/10/36/1164951036.db2.gz KDXUKEWAMHUTKJ-UHFFFAOYSA-N -1 1 276.281 1.477 20 0 CDADMM Cc1csc(COc2cnc(-c3nn[n-]n3)nc2)n1 ZINC001609442579 1164951840 /nfs/dbraw/zinc/95/18/40/1164951840.db2.gz UESKJYFMRUNRQK-UHFFFAOYSA-N -1 1 275.297 1.001 20 0 CDADMM Cc1nsc(N2CCC3(CCO3)CC2)c1-c1nn[n-]n1 ZINC001609463680 1164960689 /nfs/dbraw/zinc/96/06/89/1164960689.db2.gz CQUBBNDYQSIZEW-UHFFFAOYSA-N -1 1 292.368 1.391 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc[nH]c1=O ZINC001609468100 1164965401 /nfs/dbraw/zinc/96/54/01/1164965401.db2.gz FZVFDZHAZXULLH-UHFFFAOYSA-N -1 1 286.251 1.121 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc[nH]c1=O ZINC001609468100 1164965404 /nfs/dbraw/zinc/96/54/04/1164965404.db2.gz FZVFDZHAZXULLH-UHFFFAOYSA-N -1 1 286.251 1.121 20 0 CDADMM Clc1ccc(CNc2ccnc(-c3nnn[n-]3)c2)nc1 ZINC001609473056 1164968136 /nfs/dbraw/zinc/96/81/36/1164968136.db2.gz DWCBLINGMXWTSC-UHFFFAOYSA-N -1 1 287.714 1.344 20 0 CDADMM Clc1ccc(CNc2ccnc(-c3nn[n-]n3)c2)nc1 ZINC001609473056 1164968142 /nfs/dbraw/zinc/96/81/42/1164968142.db2.gz DWCBLINGMXWTSC-UHFFFAOYSA-N -1 1 287.714 1.344 20 0 CDADMM Clc1ccc(CNc2cc(-c3nnn[n-]3)ncn2)nc1 ZINC001609473277 1164968579 /nfs/dbraw/zinc/96/85/79/1164968579.db2.gz XKZODUAZRJYFMA-UHFFFAOYSA-N -1 1 288.702 1.317 20 0 CDADMM O=C(N[C@@H]1CC12CCCCC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001609540349 1164984451 /nfs/dbraw/zinc/98/44/51/1164984451.db2.gz YCGGEZSUKLWLKC-GFCCVEGCSA-N -1 1 298.350 1.714 20 0 CDADMM O=C(N[C@@H]1CC12CCCCC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001609540349 1164984456 /nfs/dbraw/zinc/98/44/56/1164984456.db2.gz YCGGEZSUKLWLKC-GFCCVEGCSA-N -1 1 298.350 1.714 20 0 CDADMM CC[C@@H]1OCC[C@H]1NCC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001610051954 1165197236 /nfs/dbraw/zinc/19/72/36/1165197236.db2.gz VIBQPUILFKGKJE-PWSUYJOCSA-N -1 1 294.351 1.670 20 0 CDADMM Cc1nc([C@@H](C)OC(=O)c2occc2C(=O)[O-])n[nH]1 ZINC001610548559 1165351065 /nfs/dbraw/zinc/35/10/65/1165351065.db2.gz SHDYFRCSOPVWKD-RXMQYKEDSA-N -1 1 265.225 1.322 20 0 CDADMM Cc1oc(CN2C[C@@H](C)N(C)C[C@H]2C)cc1C(=O)[O-] ZINC001610582936 1165364643 /nfs/dbraw/zinc/36/46/43/1165364643.db2.gz LQVYOIXCTUBXOR-NXEZZACHSA-N -1 1 266.341 1.811 20 0 CDADMM Cc1oc(C[N@@H+](CCO)C2CCOCC2)cc1C(=O)[O-] ZINC001610583050 1165364996 /nfs/dbraw/zinc/36/49/96/1165364996.db2.gz RUNFLEFDMBPNRH-UHFFFAOYSA-N -1 1 283.324 1.260 20 0 CDADMM Cn1cc(C(C)(C)NCc2ccoc2C(=O)[O-])cn1 ZINC001610600967 1165371812 /nfs/dbraw/zinc/37/18/12/1165371812.db2.gz CAKSIKCXUBNDMH-UHFFFAOYSA-N -1 1 263.297 1.736 20 0 CDADMM O=C([O-])c1ccc(NC(=O)c2ccc3cncn3c2)cn1 ZINC001610707313 1165411569 /nfs/dbraw/zinc/41/15/69/1165411569.db2.gz ZNLXCLDCRFLNLM-UHFFFAOYSA-N -1 1 282.259 1.680 20 0 CDADMM O=C([O-])[C@H]1CC(=O)N(CN2CCC[C@H]2c2ccccc2)C1 ZINC001610735166 1165422308 /nfs/dbraw/zinc/42/23/08/1165422308.db2.gz NONVUDQVFXABAO-KBPBESRZSA-N -1 1 288.347 1.714 20 0 CDADMM O=C([O-])CC1(NCc2nnc(C3CC3)s2)CCC1 ZINC001610759294 1165431248 /nfs/dbraw/zinc/43/12/48/1165431248.db2.gz MCLMUCFABRFQLZ-UHFFFAOYSA-N -1 1 267.354 1.903 20 0 CDADMM O=C([O-])c1ccc(CN2CC[C@@H](Oc3ccncc3)C2)[nH]1 ZINC001610825505 1165454340 /nfs/dbraw/zinc/45/43/40/1165454340.db2.gz DDJRIYZXGWYHSW-CYBMUJFWSA-N -1 1 287.319 1.761 20 0 CDADMM O=C([O-])c1ccc(F)c(CN2CCc3n[nH]nc3C2)c1 ZINC001610831695 1165457974 /nfs/dbraw/zinc/45/79/74/1165457974.db2.gz NCKDPCKMJCOSQP-UHFFFAOYSA-N -1 1 276.271 1.200 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1nncc2ccccc21 ZINC001611379382 1165491577 /nfs/dbraw/zinc/49/15/77/1165491577.db2.gz FWIQIYYBOKJEGP-UHFFFAOYSA-N -1 1 255.237 1.311 20 0 CDADMM CN(Cc1ncon1)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001624258679 1165831629 /nfs/dbraw/zinc/83/16/29/1165831629.db2.gz PXANDQLXXFKHFU-UHFFFAOYSA-N -1 1 299.286 1.906 20 0 CDADMM Cn1ccc2c1cccc2C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001634152390 1166475744 /nfs/dbraw/zinc/47/57/44/1166475744.db2.gz KMEUQOFWDWWBIJ-UHFFFAOYSA-N -1 1 298.302 1.310 20 0 CDADMM O=[N+]([O-])c1ccc(Oc2ncccc2-c2nn[n-]n2)cc1 ZINC000095220248 1166609386 /nfs/dbraw/zinc/60/93/86/1166609386.db2.gz JUOZCACDBPGSRV-UHFFFAOYSA-N -1 1 284.235 1.962 20 0 CDADMM CC[C@H]1CCCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC000095285858 1166617804 /nfs/dbraw/zinc/61/78/04/1166617804.db2.gz ISBQGPLGBUVKPF-JTQLQIEISA-N -1 1 273.344 1.734 20 0 CDADMM CC[C@H]1CCCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC000095285858 1166617807 /nfs/dbraw/zinc/61/78/07/1166617807.db2.gz ISBQGPLGBUVKPF-JTQLQIEISA-N -1 1 273.344 1.734 20 0 CDADMM O=C(Nc1n[nH]c2ncnn12)c1ccc(Cl)c([O-])c1 ZINC001638162718 1166827540 /nfs/dbraw/zinc/82/75/40/1166827540.db2.gz NZHFYBCFIHUIRN-UHFFFAOYSA-N -1 1 278.659 1.064 20 0 CDADMM C[C@H](NC(=O)c1[n-][nH]c2cc(=O)ccc1-2)c1ccno1 ZINC001155276796 1167114687 /nfs/dbraw/zinc/11/46/87/1167114687.db2.gz SPZXRUDIJMJHJV-ZETCQYMHSA-N -1 1 272.264 1.748 20 0 CDADMM Cc1nn(C)c(C)c1CNc1nc(C)cc2c1C(=O)[N-]C2=O ZINC001155328479 1167129351 /nfs/dbraw/zinc/12/93/51/1167129351.db2.gz YCFPASODIVUVBH-UHFFFAOYSA-N -1 1 299.334 1.236 20 0 CDADMM Cc1nc(-c2ccnc(NC(=O)c3n[nH]c(C)c3[O-])c2)n[nH]1 ZINC001642186234 1167159024 /nfs/dbraw/zinc/15/90/24/1167159024.db2.gz BDXNGVUXNQBNLV-UHFFFAOYSA-N -1 1 299.294 1.165 20 0 CDADMM CSc1nc(CNc2ncc(F)cn2)cc(=O)[n-]1 ZINC001642866068 1167207077 /nfs/dbraw/zinc/20/70/77/1167207077.db2.gz FGKUBNGFBHZGCA-UHFFFAOYSA-N -1 1 267.289 1.445 20 0 CDADMM CCO[C@H]1C[C@H]1C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001645529454 1167411129 /nfs/dbraw/zinc/41/11/29/1167411129.db2.gz RNDZDRVZXQCVRC-MFKMUULPSA-N -1 1 280.276 1.249 20 0 CDADMM CCC[C@](C)(O)C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001645615271 1167437680 /nfs/dbraw/zinc/43/76/80/1167437680.db2.gz NQOFXDCRYVXVIV-AWEZNQCLSA-N -1 1 282.292 1.375 20 0 CDADMM CC(C)CO[C@H]1CCN(Cc2cn(C)nc2C(=O)[O-])C1 ZINC001646226737 1167709002 /nfs/dbraw/zinc/70/90/02/1167709002.db2.gz VIYKXSXRRLRAEK-LBPRGKRZSA-N -1 1 281.356 1.365 20 0 CDADMM CC(C)[C@@H](O)CCNC(C)(C)c1cc(C(=O)[O-])on1 ZINC001603743428 1167843975 /nfs/dbraw/zinc/84/39/75/1167843975.db2.gz UJBFVHIOTUMPNE-VIFPVBQESA-N -1 1 270.329 1.605 20 0 CDADMM Clc1nc(N2CC[C@]23CCOC3)sc1-c1nnn[n-]1 ZINC001606198840 1167898901 /nfs/dbraw/zinc/89/89/01/1167898901.db2.gz SZUPEHVGTIOCGQ-SNVBAGLBSA-N -1 1 298.759 1.346 20 0 CDADMM Clc1nc(N2CC[C@]23CCOC3)sc1-c1nn[n-]n1 ZINC001606198840 1167898910 /nfs/dbraw/zinc/89/89/10/1167898910.db2.gz SZUPEHVGTIOCGQ-SNVBAGLBSA-N -1 1 298.759 1.346 20 0 CDADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC[C@H]1CCO ZINC001647422537 1168674991 /nfs/dbraw/zinc/67/49/91/1168674991.db2.gz NZSKHQCCSRVUSF-JTQLQIEISA-N -1 1 277.324 1.047 20 0 CDADMM CCC[C@@H](NC(=O)c1cnc(C2CC2)[nH]1)c1nn[n-]n1 ZINC001649719460 1169306826 /nfs/dbraw/zinc/30/68/26/1169306826.db2.gz GMMQOLHUAQGIFK-MRVPVSSYSA-N -1 1 275.316 1.071 20 0 CDADMM CO[C@H]1C[C@@H](N(C)Cc2cnc3c(C(=O)[O-])cnn3c2)C1 ZINC001574010143 1170862294 /nfs/dbraw/zinc/86/22/94/1170862294.db2.gz IXLFEYDOYHTLFL-PHIMTYICSA-N -1 1 290.323 1.037 20 0 CDADMM COc1ccnc(CN2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)c1OC ZINC001574052772 1170874365 /nfs/dbraw/zinc/87/43/65/1170874365.db2.gz YPMKWUYVYXAHCE-GBIKHYSHSA-N -1 1 292.335 1.251 20 0 CDADMM O=C([O-])C[C@H](NC(=O)CCc1c[nH]nn1)c1ccccc1 ZINC001574370972 1170960523 /nfs/dbraw/zinc/96/05/23/1170960523.db2.gz CBTMSOGNDPOOLW-LBPRGKRZSA-N -1 1 288.307 1.070 20 0 CDADMM O=C([O-])C[C@H](NC(=O)CCc1cnn[nH]1)c1ccccc1 ZINC001574370972 1170960526 /nfs/dbraw/zinc/96/05/26/1170960526.db2.gz CBTMSOGNDPOOLW-LBPRGKRZSA-N -1 1 288.307 1.070 20 0 CDADMM C[C@@H](NC(=O)c1cccc(F)c1[O-])c1c[nH]nn1 ZINC001575658324 1171238491 /nfs/dbraw/zinc/23/84/91/1171238491.db2.gz KWTYDMKZRFUTTH-ZCFIWIBFSA-N -1 1 250.233 1.140 20 0 CDADMM O=C([N-]N1CN=NC1=O)c1coc2ccc(Cl)cc12 ZINC001654444801 1171612097 /nfs/dbraw/zinc/61/20/97/1171612097.db2.gz SJUHWYAJODAJEJ-UHFFFAOYSA-N -1 1 278.655 1.767 20 0 CDADMM [O-]c1ccc(CN2CCOC[C@H]2c2cn[nH]n2)c(F)c1F ZINC001578051926 1171790624 /nfs/dbraw/zinc/79/06/24/1171790624.db2.gz WSGJXSNXTDXHEO-JTQLQIEISA-N -1 1 296.277 1.362 20 0 CDADMM Cc1ccc(CNc2cc(-c3nnn[n-]3)ncn2)nc1C ZINC001581200872 1172593972 /nfs/dbraw/zinc/59/39/72/1172593972.db2.gz XBVDLSCVJYOBPB-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1ccc(CNc2cc(-c3nn[n-]n3)ncn2)nc1C ZINC001581200872 1172593976 /nfs/dbraw/zinc/59/39/76/1172593976.db2.gz XBVDLSCVJYOBPB-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1cncc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001581322115 1172603312 /nfs/dbraw/zinc/60/33/12/1172603312.db2.gz ZYOUSLOCYLOEEU-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM O=C(C=Cc1ccccc1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001581954866 1172633617 /nfs/dbraw/zinc/63/36/17/1172633617.db2.gz MEUZGKILZFBQTD-VOTSOKGWSA-N -1 1 281.279 1.242 20 0 CDADMM CC(C)(C)[C@@H](CO)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589093274 1173123792 /nfs/dbraw/zinc/12/37/92/1173123792.db2.gz VWOVDTOCZXXVLC-SECBINFHSA-N -1 1 295.368 1.065 20 0 CDADMM CC(C)C1CN(C(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001589516557 1173152911 /nfs/dbraw/zinc/15/29/11/1173152911.db2.gz DYXOHAIYAGUYBU-UHFFFAOYSA-N -1 1 277.353 1.656 20 0 CDADMM CC(C)CC[C@](C)(O)CNc1ccnc(-c2nnn[n-]2)c1 ZINC001589588016 1173159842 /nfs/dbraw/zinc/15/98/42/1173159842.db2.gz HAXPVHKVZBERDR-AWEZNQCLSA-N -1 1 290.371 1.283 20 0 CDADMM CC(C)CC[C@](C)(O)CNc1ccnc(-c2nn[n-]n2)c1 ZINC001589588016 1173159848 /nfs/dbraw/zinc/15/98/48/1173159848.db2.gz HAXPVHKVZBERDR-AWEZNQCLSA-N -1 1 290.371 1.283 20 0 CDADMM CC(C)CCN(C)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589600396 1173160105 /nfs/dbraw/zinc/16/01/05/1173160105.db2.gz GUGODHHTUGVGHB-UHFFFAOYSA-N -1 1 274.328 1.380 20 0 CDADMM CC(C)CCN(C)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589600396 1173160109 /nfs/dbraw/zinc/16/01/09/1173160109.db2.gz GUGODHHTUGVGHB-UHFFFAOYSA-N -1 1 274.328 1.380 20 0 CDADMM CC(C)[C@@H]1C[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589763328 1173175477 /nfs/dbraw/zinc/17/54/77/1173175477.db2.gz CPGKVKOJDRURND-WCBMZHEXSA-N -1 1 287.327 1.428 20 0 CDADMM CC(C)[C@@H]1C[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589763328 1173175480 /nfs/dbraw/zinc/17/54/80/1173175480.db2.gz CPGKVKOJDRURND-WCBMZHEXSA-N -1 1 287.327 1.428 20 0 CDADMM C[C@@H](CC(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccco1 ZINC001589796643 1173184694 /nfs/dbraw/zinc/18/46/94/1173184694.db2.gz XQVGGTIJNVIQGS-ZETCQYMHSA-N -1 1 287.283 1.072 20 0 CDADMM C[C@H](CCc1cccn1C)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001589836741 1173190318 /nfs/dbraw/zinc/19/03/18/1173190318.db2.gz QQQCVZSJPVOGGK-SNVBAGLBSA-N -1 1 298.354 1.428 20 0 CDADMM C[C@H](CCc1cccn1C)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001589836741 1173190320 /nfs/dbraw/zinc/19/03/20/1173190320.db2.gz QQQCVZSJPVOGGK-SNVBAGLBSA-N -1 1 298.354 1.428 20 0 CDADMM C[C@H](F)CCNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001589910833 1173203311 /nfs/dbraw/zinc/20/33/11/1173203311.db2.gz COBAJKUDTGANFB-LURJTMIESA-N -1 1 299.256 1.623 20 0 CDADMM C[C@H](F)CCNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001589910833 1173203315 /nfs/dbraw/zinc/20/33/15/1173203315.db2.gz COBAJKUDTGANFB-LURJTMIESA-N -1 1 299.256 1.623 20 0 CDADMM C[C@@H](c1cccc(O)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001590052537 1173241205 /nfs/dbraw/zinc/24/12/05/1173241205.db2.gz PFCDVKBOAJCEDH-VIFPVBQESA-N -1 1 297.322 1.560 20 0 CDADMM C[C@@H](c1cccc(O)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001590052537 1173241213 /nfs/dbraw/zinc/24/12/13/1173241213.db2.gz PFCDVKBOAJCEDH-VIFPVBQESA-N -1 1 297.322 1.560 20 0 CDADMM CC1(C2CC2)CCN(c2ncncc2-c2nn[n-]n2)CC1 ZINC001590122219 1173261557 /nfs/dbraw/zinc/26/15/57/1173261557.db2.gz QOFMXEWHXWLKPK-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@@]1(c2ccccc2)C[C@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001590151543 1173273555 /nfs/dbraw/zinc/27/35/55/1173273555.db2.gz GDUYZMLIXAJEMX-DOMZBBRYSA-N -1 1 293.334 1.799 20 0 CDADMM C[C@@]1(c2ccccc2)C[C@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001590151543 1173273558 /nfs/dbraw/zinc/27/35/58/1173273558.db2.gz GDUYZMLIXAJEMX-DOMZBBRYSA-N -1 1 293.334 1.799 20 0 CDADMM CC1=C[C@H](C)CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001590155828 1173275340 /nfs/dbraw/zinc/27/53/40/1173275340.db2.gz BJDAIILFIXORPL-VIFPVBQESA-N -1 1 297.366 1.937 20 0 CDADMM CC1=C[C@H](C)CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001590155828 1173275348 /nfs/dbraw/zinc/27/53/48/1173275348.db2.gz BJDAIILFIXORPL-VIFPVBQESA-N -1 1 297.366 1.937 20 0 CDADMM C[C@@H]1C[C@@H](C)CN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590189017 1173284134 /nfs/dbraw/zinc/28/41/34/1173284134.db2.gz UJLRZAXQPRYIAU-RKDXNWHRSA-N -1 1 275.312 1.578 20 0 CDADMM C[C@@H]1C[C@@H](C)CN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590189017 1173284137 /nfs/dbraw/zinc/28/41/37/1173284137.db2.gz UJLRZAXQPRYIAU-RKDXNWHRSA-N -1 1 275.312 1.578 20 0 CDADMM C[C@H]1C[C@H](C)CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590188001 1173285007 /nfs/dbraw/zinc/28/50/07/1173285007.db2.gz PAGIZSYUAWKNIL-UWVGGRQHSA-N -1 1 286.339 1.380 20 0 CDADMM C[C@H]1C[C@H](C)CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590188001 1173285012 /nfs/dbraw/zinc/28/50/12/1173285012.db2.gz PAGIZSYUAWKNIL-UWVGGRQHSA-N -1 1 286.339 1.380 20 0 CDADMM C[C@H]1CCCCN1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590256408 1173324549 /nfs/dbraw/zinc/32/45/49/1173324549.db2.gz CNVZHHIJGVZTBF-QMMMGPOBSA-N -1 1 292.368 1.447 20 0 CDADMM C[C@H]1CCN(c2ncncc2-c2nn[n-]n2)CC12CCC2 ZINC001590276557 1173336420 /nfs/dbraw/zinc/33/64/20/1173336420.db2.gz LWTHUQGRTPGIAE-JTQLQIEISA-N -1 1 285.355 1.673 20 0 CDADMM C[C@H]1COC[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001590323695 1173353861 /nfs/dbraw/zinc/35/38/61/1173353861.db2.gz ICORVQMBWUJDGA-CRCLSJGQSA-N -1 1 286.748 1.423 20 0 CDADMM C[C@H]1COC[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001590323695 1173353869 /nfs/dbraw/zinc/35/38/69/1173353869.db2.gz ICORVQMBWUJDGA-CRCLSJGQSA-N -1 1 286.748 1.423 20 0 CDADMM CC/C(C)=C\C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001590385720 1173386521 /nfs/dbraw/zinc/38/65/21/1173386521.db2.gz SHGXLWAMSWLFLM-CLFYSBASSA-N -1 1 272.312 1.581 20 0 CDADMM CC/C(C)=C\C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001590385720 1173386524 /nfs/dbraw/zinc/38/65/24/1173386524.db2.gz SHGXLWAMSWLFLM-CLFYSBASSA-N -1 1 272.312 1.581 20 0 CDADMM CC[C@H](CSC)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590448985 1173414651 /nfs/dbraw/zinc/41/46/51/1173414651.db2.gz GWANMEYSSAOUNO-SSDOTTSWSA-N -1 1 297.409 1.800 20 0 CDADMM CC[C@H](CSC)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590448985 1173414655 /nfs/dbraw/zinc/41/46/55/1173414655.db2.gz GWANMEYSSAOUNO-SSDOTTSWSA-N -1 1 297.409 1.800 20 0 CDADMM CC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCOC1 ZINC001590472791 1173423844 /nfs/dbraw/zinc/42/38/44/1173423844.db2.gz HLPGDFZORYCJIP-UWVGGRQHSA-N -1 1 289.343 1.274 20 0 CDADMM CC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCOC1 ZINC001590472791 1173423849 /nfs/dbraw/zinc/42/38/49/1173423849.db2.gz HLPGDFZORYCJIP-UWVGGRQHSA-N -1 1 289.343 1.274 20 0 CDADMM CCC(O)(CC)CN(C)c1nc(-c2nn[n-]n2)ccc1C ZINC001590473924 1173424810 /nfs/dbraw/zinc/42/48/10/1173424810.db2.gz YQYPSYJVUKAQMI-UHFFFAOYSA-N -1 1 290.371 1.557 20 0 CDADMM CC[C@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)[C@@H](C)O ZINC001590474442 1173427619 /nfs/dbraw/zinc/42/76/19/1173427619.db2.gz IRJKUABWFWEYIK-UHNVWZDZSA-N -1 1 288.764 1.548 20 0 CDADMM CC[C@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H](C)O ZINC001590474442 1173427626 /nfs/dbraw/zinc/42/76/26/1173427626.db2.gz IRJKUABWFWEYIK-UHNVWZDZSA-N -1 1 288.764 1.548 20 0 CDADMM CC[C@H](SC)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001590482913 1173432173 /nfs/dbraw/zinc/43/21/73/1173432173.db2.gz SEWFJNFYOAAPEG-LURJTMIESA-N -1 1 298.397 1.712 20 0 CDADMM CC[C@H](SC)C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590482913 1173432177 /nfs/dbraw/zinc/43/21/77/1173432177.db2.gz SEWFJNFYOAAPEG-LURJTMIESA-N -1 1 298.397 1.712 20 0 CDADMM CC[C@]1(CO)CCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001590495693 1173433200 /nfs/dbraw/zinc/43/32/00/1173433200.db2.gz ITCZWRORESGDRE-AWEZNQCLSA-N -1 1 288.355 1.251 20 0 CDADMM CC[C@]1(CO)CCCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001590495693 1173433204 /nfs/dbraw/zinc/43/32/04/1173433204.db2.gz ITCZWRORESGDRE-AWEZNQCLSA-N -1 1 288.355 1.251 20 0 CDADMM CCC1(CO)CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590496142 1173434739 /nfs/dbraw/zinc/43/47/39/1173434739.db2.gz NUYAEFFAMLPFIE-UHFFFAOYSA-N -1 1 288.355 1.251 20 0 CDADMM CCC1(CO)CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590496142 1173434746 /nfs/dbraw/zinc/43/47/46/1173434746.db2.gz NUYAEFFAMLPFIE-UHFFFAOYSA-N -1 1 288.355 1.251 20 0 CDADMM CC[C@@H]1C[C@H](C)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001590503894 1173439248 /nfs/dbraw/zinc/43/92/48/1173439248.db2.gz UEYSROKDJGBISD-DTWKUNHWSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@H]1C[C@H](C)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001590502886 1173440736 /nfs/dbraw/zinc/44/07/36/1173440736.db2.gz FPYCNCAQHRFFAF-IUCAKERBSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@H]1C[C@H](C)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001590502886 1173440740 /nfs/dbraw/zinc/44/07/40/1173440740.db2.gz FPYCNCAQHRFFAF-IUCAKERBSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590510114 1173442427 /nfs/dbraw/zinc/44/24/27/1173442427.db2.gz FIHVKKXTWSRKEG-BDAKNGLRSA-N -1 1 289.343 1.745 20 0 CDADMM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590510114 1173442430 /nfs/dbraw/zinc/44/24/30/1173442430.db2.gz FIHVKKXTWSRKEG-BDAKNGLRSA-N -1 1 289.343 1.745 20 0 CDADMM CC[C@@H]1CCN1c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590517240 1173445866 /nfs/dbraw/zinc/44/58/66/1173445866.db2.gz MKDBXIOLGQULOR-SECBINFHSA-N -1 1 271.328 1.523 20 0 CDADMM CC[C@@H]1CCN1c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590517240 1173445874 /nfs/dbraw/zinc/44/58/74/1173445874.db2.gz MKDBXIOLGQULOR-SECBINFHSA-N -1 1 271.328 1.523 20 0 CDADMM CC[C@H]1COC(C)(C)CN1c1ccnc(-c2nnn[n-]2)c1 ZINC001590524116 1173453814 /nfs/dbraw/zinc/45/38/14/1173453814.db2.gz ONUBWGASIJFEJU-JTQLQIEISA-N -1 1 288.355 1.656 20 0 CDADMM CC[C@H]1COC(C)(C)CN1c1ccnc(-c2nn[n-]n2)c1 ZINC001590524116 1173453816 /nfs/dbraw/zinc/45/38/16/1173453816.db2.gz ONUBWGASIJFEJU-JTQLQIEISA-N -1 1 288.355 1.656 20 0 CDADMM CCC[C@@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)CCO1 ZINC001590571406 1173466335 /nfs/dbraw/zinc/46/63/35/1173466335.db2.gz AVFALCPWDKKLME-SNVBAGLBSA-N -1 1 291.311 1.101 20 0 CDADMM CCC[C@@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)CCO1 ZINC001590571406 1173466329 /nfs/dbraw/zinc/46/63/29/1173466329.db2.gz AVFALCPWDKKLME-SNVBAGLBSA-N -1 1 291.311 1.101 20 0 CDADMM CCCc1ccc(Cn2cncc(-c3nn[n-]n3)c2=O)cc1 ZINC001590659661 1173482980 /nfs/dbraw/zinc/48/29/80/1173482980.db2.gz NBUWHTNEGSBGER-UHFFFAOYSA-N -1 1 296.334 1.424 20 0 CDADMM CCOC1(C)CN(c2ccc(C)c(-c3nnn[n-]3)n2)C1 ZINC001590783532 1173509942 /nfs/dbraw/zinc/50/99/42/1173509942.db2.gz CPSBNUFZFKRCOJ-UHFFFAOYSA-N -1 1 274.328 1.185 20 0 CDADMM CCOC1(C)CN(c2ccc(C)c(-c3nn[n-]n3)n2)C1 ZINC001590783532 1173509947 /nfs/dbraw/zinc/50/99/47/1173509947.db2.gz CPSBNUFZFKRCOJ-UHFFFAOYSA-N -1 1 274.328 1.185 20 0 CDADMM CCc1ccc(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)cc1 ZINC001590890195 1173536736 /nfs/dbraw/zinc/53/67/36/1173536736.db2.gz UIHFBVIODGYQJM-UHFFFAOYSA-N -1 1 295.346 1.948 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](C)[C@@H]2C)n1 ZINC001590905846 1173538109 /nfs/dbraw/zinc/53/81/09/1173538109.db2.gz ORBINAYJYARJQD-IUCAKERBSA-N -1 1 273.344 1.454 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](C)[C@@H]2C)n1 ZINC001590905846 1173538113 /nfs/dbraw/zinc/53/81/13/1173538113.db2.gz ORBINAYJYARJQD-IUCAKERBSA-N -1 1 273.344 1.454 20 0 CDADMM CCc1cn(Cc2nc(-c3nnn[n-]3)cs2)cn1 ZINC001590900507 1173539457 /nfs/dbraw/zinc/53/94/57/1173539457.db2.gz CBIRZOOHJHVYLL-UHFFFAOYSA-N -1 1 261.314 1.130 20 0 CDADMM CCc1cn(Cc2nc(-c3nn[n-]n3)cs2)cn1 ZINC001590900507 1173539461 /nfs/dbraw/zinc/53/94/61/1173539461.db2.gz CBIRZOOHJHVYLL-UHFFFAOYSA-N -1 1 261.314 1.130 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](C3CCC3)C2)n1 ZINC001590905950 1173540101 /nfs/dbraw/zinc/54/01/01/1173540101.db2.gz SICDSRMGICGTAO-LLVKDONJSA-N -1 1 299.382 1.846 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](C3CCC3)C2)n1 ZINC001590905950 1173540097 /nfs/dbraw/zinc/54/00/97/1173540097.db2.gz SICDSRMGICGTAO-LLVKDONJSA-N -1 1 299.382 1.846 20 0 CDADMM CCn1nc(C)c(CNc2cccnc2-c2nnn[n-]2)c1C ZINC001590965348 1173553122 /nfs/dbraw/zinc/55/31/22/1173553122.db2.gz HAPXDWAYSSNQQV-UHFFFAOYSA-N -1 1 298.354 1.707 20 0 CDADMM CCn1nc(C)c(CNc2cccnc2-c2nn[n-]n2)c1C ZINC001590965348 1173553125 /nfs/dbraw/zinc/55/31/25/1173553125.db2.gz HAPXDWAYSSNQQV-UHFFFAOYSA-N -1 1 298.354 1.707 20 0 CDADMM CN(C(=O)c1coc(-c2nnn[n-]2)c1)C(C1CC1)C1CC1 ZINC001590999359 1173559488 /nfs/dbraw/zinc/55/94/88/1173559488.db2.gz YOVBPGWIWIRNIU-UHFFFAOYSA-N -1 1 287.323 1.720 20 0 CDADMM CN(C(=O)c1coc(-c2nn[n-]n2)c1)C(C1CC1)C1CC1 ZINC001590999359 1173559494 /nfs/dbraw/zinc/55/94/94/1173559494.db2.gz YOVBPGWIWIRNIU-UHFFFAOYSA-N -1 1 287.323 1.720 20 0 CDADMM CO[C@H](COc1ccc(F)nc1-c1nn[n-]n1)C1CC1 ZINC001591333984 1173615614 /nfs/dbraw/zinc/61/56/14/1173615614.db2.gz GWMCRAUITNASHY-SECBINFHSA-N -1 1 279.275 1.205 20 0 CDADMM COC1([C@H](C)Nc2cccc(-c3nnn[n-]3)n2)CCC1 ZINC001591339477 1173619068 /nfs/dbraw/zinc/61/90/68/1173619068.db2.gz YYKRUXWRTSUWDB-VIFPVBQESA-N -1 1 274.328 1.631 20 0 CDADMM COC1([C@H](C)Nc2cccc(-c3nn[n-]n3)n2)CCC1 ZINC001591339477 1173619070 /nfs/dbraw/zinc/61/90/70/1173619070.db2.gz YYKRUXWRTSUWDB-VIFPVBQESA-N -1 1 274.328 1.631 20 0 CDADMM COC1(CCNc2nc(C)cc(-c3nnn[n-]3)n2)CCC1 ZINC001591341185 1173620173 /nfs/dbraw/zinc/62/01/73/1173620173.db2.gz NCSUWNXNNPUEHS-UHFFFAOYSA-N -1 1 289.343 1.336 20 0 CDADMM COC1(CCNc2nc(C)cc(-c3nn[n-]n3)n2)CCC1 ZINC001591341185 1173620175 /nfs/dbraw/zinc/62/01/75/1173620175.db2.gz NCSUWNXNNPUEHS-UHFFFAOYSA-N -1 1 289.343 1.336 20 0 CDADMM CO[C@@H]1CCC[C@H](OC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001591357236 1173628307 /nfs/dbraw/zinc/62/83/07/1173628307.db2.gz VUKNIKONAKYEFW-BDAKNGLRSA-N -1 1 292.295 1.574 20 0 CDADMM COCC(C)(C)CNc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001591369142 1173630853 /nfs/dbraw/zinc/63/08/53/1173630853.db2.gz IBIKGWWPKIMCLO-UHFFFAOYSA-N -1 1 276.344 1.655 20 0 CDADMM COCC(C)(C)CNc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001591369142 1173630858 /nfs/dbraw/zinc/63/08/58/1173630858.db2.gz IBIKGWWPKIMCLO-UHFFFAOYSA-N -1 1 276.344 1.655 20 0 CDADMM COc1nc(-c2nn[n-]n2)ncc1-c1cccc2c1CCC2 ZINC001591658393 1173678269 /nfs/dbraw/zinc/67/82/69/1173678269.db2.gz WYDTVPDMOZNRGG-UHFFFAOYSA-N -1 1 294.318 1.821 20 0 CDADMM CSC(C)(C)CNc1cccnc1-c1nnn[n-]1 ZINC001591685016 1173679084 /nfs/dbraw/zinc/67/90/84/1173679084.db2.gz MGUDXVLBZBGUKR-UHFFFAOYSA-N -1 1 264.358 1.815 20 0 CDADMM CSC(C)(C)CNc1cccnc1-c1nn[n-]n1 ZINC001591685016 1173679088 /nfs/dbraw/zinc/67/90/88/1173679088.db2.gz MGUDXVLBZBGUKR-UHFFFAOYSA-N -1 1 264.358 1.815 20 0 CDADMM C[C@@H](CF)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001591722440 1173691374 /nfs/dbraw/zinc/69/13/74/1173691374.db2.gz CYQFKNOWZCXKDN-YFKPBYRVSA-N -1 1 284.682 1.003 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(C)(C)C2)n1 ZINC001591884805 1173738355 /nfs/dbraw/zinc/73/83/55/1173738355.db2.gz AUTDOQQDXBCCJS-UHFFFAOYSA-N -1 1 259.317 1.201 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(C)(C)C2)n1 ZINC001591884805 1173738359 /nfs/dbraw/zinc/73/83/59/1173738359.db2.gz AUTDOQQDXBCCJS-UHFFFAOYSA-N -1 1 259.317 1.201 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@]3(CC[C@H](C)C3)C2)n1 ZINC001591886925 1173739178 /nfs/dbraw/zinc/73/91/78/1173739178.db2.gz OTYVAKFZKQQAIC-ZUZCIYMTSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@]3(CC[C@H](C)C3)C2)n1 ZINC001591886925 1173739186 /nfs/dbraw/zinc/73/91/86/1173739186.db2.gz OTYVAKFZKQQAIC-ZUZCIYMTSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C3CCCC2CCC3)n1 ZINC001591884074 1173739818 /nfs/dbraw/zinc/73/98/18/1173739818.db2.gz NKJCZOZYPLHGFT-UHFFFAOYSA-N -1 1 285.355 1.877 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C3CCCC2CCC3)n1 ZINC001591884074 1173739823 /nfs/dbraw/zinc/73/98/23/1173739823.db2.gz NKJCZOZYPLHGFT-UHFFFAOYSA-N -1 1 285.355 1.877 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)Cc2cccc(F)c2)n1 ZINC001591884725 1173740224 /nfs/dbraw/zinc/74/02/24/1173740224.db2.gz VLZNNHCDIVTCNK-UHFFFAOYSA-N -1 1 299.313 1.741 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)Cc2cccc(F)c2)n1 ZINC001591884725 1173740228 /nfs/dbraw/zinc/74/02/28/1173740228.db2.gz VLZNNHCDIVTCNK-UHFFFAOYSA-N -1 1 299.313 1.741 20 0 CDADMM Cc1cc(N[C@@H](C)C[C@@H]2CCOC2)nc(-c2nnn[n-]2)c1 ZINC001592034510 1173777923 /nfs/dbraw/zinc/77/79/23/1173777923.db2.gz RIJIWEGHQRPTCK-QWRGUYRKSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(N[C@@H](C)C[C@@H]2CCOC2)nc(-c2nn[n-]n2)c1 ZINC001592034510 1173777926 /nfs/dbraw/zinc/77/79/26/1173777926.db2.gz RIJIWEGHQRPTCK-QWRGUYRKSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(NC[C@@H]2C[C@H](C)O[C@@H]2C)nc(-c2nnn[n-]2)c1 ZINC001592043470 1173783877 /nfs/dbraw/zinc/78/38/77/1173783877.db2.gz GRRXECBUEQBUKV-AXFHLTTASA-N -1 1 288.355 1.796 20 0 CDADMM Cc1cc(NC[C@@H]2C[C@H](C)O[C@@H]2C)nc(-c2nn[n-]n2)c1 ZINC001592043470 1173783881 /nfs/dbraw/zinc/78/38/81/1173783881.db2.gz GRRXECBUEQBUKV-AXFHLTTASA-N -1 1 288.355 1.796 20 0 CDADMM Cc1cc(NC[C@H]2CCCS2)cc(-c2nnn[n-]2)n1 ZINC001592043546 1173784739 /nfs/dbraw/zinc/78/47/39/1173784739.db2.gz GZZBUTGEJNCXBZ-SNVBAGLBSA-N -1 1 276.369 1.878 20 0 CDADMM Cc1cc(NC[C@H]2CCCS2)cc(-c2nn[n-]n2)n1 ZINC001592043546 1173784743 /nfs/dbraw/zinc/78/47/43/1173784743.db2.gz GZZBUTGEJNCXBZ-SNVBAGLBSA-N -1 1 276.369 1.878 20 0 CDADMM Cc1cc(NCCOc2cccnc2)cc(-c2nnn[n-]2)n1 ZINC001592049879 1173786767 /nfs/dbraw/zinc/78/67/67/1173786767.db2.gz GBNOFEXEWXBYEG-UHFFFAOYSA-N -1 1 297.322 1.456 20 0 CDADMM Cc1cc(NCCOc2cccnc2)cc(-c2nn[n-]n2)n1 ZINC001592049879 1173786772 /nfs/dbraw/zinc/78/67/72/1173786772.db2.gz GBNOFEXEWXBYEG-UHFFFAOYSA-N -1 1 297.322 1.456 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@H](C(C)(C)O)C1 ZINC001592111055 1173802958 /nfs/dbraw/zinc/80/29/58/1173802958.db2.gz ZHXCQGCPEJJRDR-JTQLQIEISA-N -1 1 288.355 1.167 20 0 CDADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2ccc(C)cc2)nn1C ZINC001592132211 1173807835 /nfs/dbraw/zinc/80/78/35/1173807835.db2.gz AWEWPWQLGQVSSV-UHFFFAOYSA-N -1 1 297.322 1.469 20 0 CDADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2ccc(C)cc2)nn1C ZINC001592132211 1173807841 /nfs/dbraw/zinc/80/78/41/1173807841.db2.gz AWEWPWQLGQVSSV-UHFFFAOYSA-N -1 1 297.322 1.469 20 0 CDADMM Cc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001592130663 1173810299 /nfs/dbraw/zinc/81/02/99/1173810299.db2.gz QVLZNCYTCYAVCH-UHFFFAOYSA-N -1 1 280.291 1.822 20 0 CDADMM Cc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001592130663 1173810305 /nfs/dbraw/zinc/81/03/05/1173810305.db2.gz QVLZNCYTCYAVCH-UHFFFAOYSA-N -1 1 280.291 1.822 20 0 CDADMM Cc1ccc(Cn2ccnc2-c2nnn[n-]2)cc1C ZINC001592171829 1173821662 /nfs/dbraw/zinc/82/16/62/1173821662.db2.gz RFCRVFKRZMJKRM-UHFFFAOYSA-N -1 1 254.297 1.728 20 0 CDADMM Cc1ccc(Cn2ccnc2-c2nn[n-]n2)cc1C ZINC001592171829 1173821669 /nfs/dbraw/zinc/82/16/69/1173821669.db2.gz RFCRVFKRZMJKRM-UHFFFAOYSA-N -1 1 254.297 1.728 20 0 CDADMM Cc1ccc(N2CC[C@H](CF)C2)nc1-c1nnn[n-]1 ZINC001592174980 1173822805 /nfs/dbraw/zinc/82/28/05/1173822805.db2.gz ODVQEKUZCFKPNA-SECBINFHSA-N -1 1 262.292 1.366 20 0 CDADMM Cc1ccc(N2CC[C@H](CF)C2)nc1-c1nn[n-]n1 ZINC001592174980 1173822809 /nfs/dbraw/zinc/82/28/09/1173822809.db2.gz ODVQEKUZCFKPNA-SECBINFHSA-N -1 1 262.292 1.366 20 0 CDADMM Cc1ccc(N(C)C[C@@H]2CCC[C@@H]2O)nc1-c1nnn[n-]1 ZINC001592176026 1173823990 /nfs/dbraw/zinc/82/39/90/1173823990.db2.gz SKHRKNSHRJQRQI-QWRGUYRKSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(N(C)C[C@@H]2CCC[C@@H]2O)nc1-c1nn[n-]n1 ZINC001592176026 1173823995 /nfs/dbraw/zinc/82/39/95/1173823995.db2.gz SKHRKNSHRJQRQI-QWRGUYRKSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(N2CCC[C@@](C)(CO)C2)c(-c2nnn[n-]2)n1 ZINC001592177882 1173826094 /nfs/dbraw/zinc/82/60/94/1173826094.db2.gz NCODESDVSIKLGR-CQSZACIVSA-N -1 1 288.355 1.169 20 0 CDADMM Cc1ccc(N2CCC[C@@](C)(CO)C2)c(-c2nn[n-]n2)n1 ZINC001592177882 1173826104 /nfs/dbraw/zinc/82/61/04/1173826104.db2.gz NCODESDVSIKLGR-CQSZACIVSA-N -1 1 288.355 1.169 20 0 CDADMM Cc1ccc(N[C@@H]2CCOC[C@H]2C)c(-c2nnn[n-]2)n1 ZINC001592183410 1173827463 /nfs/dbraw/zinc/82/74/63/1173827463.db2.gz CZCHQNYRHKWXFB-PSASIEDQSA-N -1 1 274.328 1.407 20 0 CDADMM Cc1ccc(N[C@@H]2CCOC[C@H]2C)c(-c2nn[n-]n2)n1 ZINC001592183410 1173827469 /nfs/dbraw/zinc/82/74/69/1173827469.db2.gz CZCHQNYRHKWXFB-PSASIEDQSA-N -1 1 274.328 1.407 20 0 CDADMM Cc1ccc(NCc2cccc(CO)c2)nc1-c1nnn[n-]1 ZINC001592184608 1173828998 /nfs/dbraw/zinc/82/89/98/1173828998.db2.gz KLMOCXVJFYTBSK-UHFFFAOYSA-N -1 1 296.334 1.675 20 0 CDADMM Cc1ccc(NCc2cccc(CO)c2)nc1-c1nn[n-]n1 ZINC001592184608 1173829003 /nfs/dbraw/zinc/82/90/03/1173829003.db2.gz KLMOCXVJFYTBSK-UHFFFAOYSA-N -1 1 296.334 1.675 20 0 CDADMM Cc1ccccc1[C@@H]1C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001592260637 1173839503 /nfs/dbraw/zinc/83/95/03/1173839503.db2.gz IKZPCNKFOPUXSY-NWDGAFQWSA-N -1 1 293.334 1.355 20 0 CDADMM Cc1ccncc1COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592279501 1173843913 /nfs/dbraw/zinc/84/39/13/1173843913.db2.gz ZXFNNSMTRBQSEP-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1ccoc1CNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001592284202 1173845597 /nfs/dbraw/zinc/84/55/97/1173845597.db2.gz RWFFQRDNMOKGRK-UHFFFAOYSA-N -1 1 289.320 1.760 20 0 CDADMM Cc1ccoc1CNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001592284202 1173845601 /nfs/dbraw/zinc/84/56/01/1173845601.db2.gz RWFFQRDNMOKGRK-UHFFFAOYSA-N -1 1 289.320 1.760 20 0 CDADMM Cc1cncc(CCNc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001592299223 1173849331 /nfs/dbraw/zinc/84/93/31/1173849331.db2.gz ZWVBLRPPQDECJP-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1cncc(CCNc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001592299223 1173849335 /nfs/dbraw/zinc/84/93/35/1173849335.db2.gz ZWVBLRPPQDECJP-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)c1-c1nn[n-]n1 ZINC001592327200 1173854869 /nfs/dbraw/zinc/85/48/69/1173854869.db2.gz FRAOPCZIAQCCSK-URJBTRRKSA-N -1 1 287.327 1.129 20 0 CDADMM Cc1[nH]nc(NCc2cc3cccnc3o2)c1-c1nnn[n-]1 ZINC001592331274 1173856545 /nfs/dbraw/zinc/85/65/45/1173856545.db2.gz YKSITZHXTPXXQZ-UHFFFAOYSA-N -1 1 296.294 1.652 20 0 CDADMM Cc1[nH]nc(NCc2cc3cccnc3o2)c1-c1nn[n-]n1 ZINC001592331274 1173856549 /nfs/dbraw/zinc/85/65/49/1173856549.db2.gz YKSITZHXTPXXQZ-UHFFFAOYSA-N -1 1 296.294 1.652 20 0 CDADMM Cc1nc(N[C@H]2CC[C@H](C)CC2)cc(-c2nnn[n-]2)n1 ZINC001592396160 1173881650 /nfs/dbraw/zinc/88/16/50/1173881650.db2.gz FIXGTZHPRWHGNC-CZMCAQCFSA-N -1 1 273.344 1.956 20 0 CDADMM Cc1nc(N[C@H]2CC[C@H](C)CC2)cc(-c2nn[n-]n2)n1 ZINC001592396160 1173881655 /nfs/dbraw/zinc/88/16/55/1173881655.db2.gz FIXGTZHPRWHGNC-CZMCAQCFSA-N -1 1 273.344 1.956 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@H]2CC[C@H](C)C2)c1-c1nnn[n-]1 ZINC001592434037 1173888923 /nfs/dbraw/zinc/88/89/23/1173888923.db2.gz NKULMLCTUURJGU-CBAPKCEASA-N -1 1 289.343 1.283 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@H]2CC[C@H](C)C2)c1-c1nn[n-]n1 ZINC001592434037 1173888925 /nfs/dbraw/zinc/88/89/25/1173888925.db2.gz NKULMLCTUURJGU-CBAPKCEASA-N -1 1 289.343 1.283 20 0 CDADMM Cc1nsc(S[C@@H]2CCO[C@@H]2C)c1-c1nn[n-]n1 ZINC001592494106 1173905739 /nfs/dbraw/zinc/90/57/39/1173905739.db2.gz BZXKTOKYSIMOCU-RNFRBKRXSA-N -1 1 283.382 1.901 20 0 CDADMM Cc1nsc(S[C@@H]2CCO[C@@H]2C)c1-c1nnn[n-]1 ZINC001592494106 1173905734 /nfs/dbraw/zinc/90/57/34/1173905734.db2.gz BZXKTOKYSIMOCU-RNFRBKRXSA-N -1 1 283.382 1.901 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)Cc1ccco1 ZINC001592496029 1173906304 /nfs/dbraw/zinc/90/63/04/1173906304.db2.gz SVFZBSVCAPLGJD-UHFFFAOYSA-N -1 1 287.279 1.633 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)Cc1ccco1 ZINC001592496029 1173906313 /nfs/dbraw/zinc/90/63/13/1173906313.db2.gz SVFZBSVCAPLGJD-UHFFFAOYSA-N -1 1 287.279 1.633 20 0 CDADMM Cn1ccnc1SCc1ccc(-c2nnn[n-]2)o1 ZINC001592585464 1173922695 /nfs/dbraw/zinc/92/26/95/1173922695.db2.gz MJCXYOJQOLALIU-UHFFFAOYSA-N -1 1 262.298 1.486 20 0 CDADMM Cn1ccnc1SCc1ccc(-c2nn[n-]n2)o1 ZINC001592585464 1173922697 /nfs/dbraw/zinc/92/26/97/1173922697.db2.gz MJCXYOJQOLALIU-UHFFFAOYSA-N -1 1 262.298 1.486 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1CC2CCC1CC2 ZINC001592753570 1173986549 /nfs/dbraw/zinc/98/65/49/1173986549.db2.gz CFAREFJTDYEDEW-AMDVSUOASA-N -1 1 287.327 1.112 20 0 CDADMM O=C(C[C@@H]1C=CCCC1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592812241 1173995989 /nfs/dbraw/zinc/99/59/89/1173995989.db2.gz FGAZOLAVZWVSLP-LLVKDONJSA-N -1 1 298.350 1.624 20 0 CDADMM O=C(C[C@@H]1C=CCCC1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592812241 1173995998 /nfs/dbraw/zinc/99/59/98/1173995998.db2.gz FGAZOLAVZWVSLP-LLVKDONJSA-N -1 1 298.350 1.624 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC1CC2(CCC2)C1 ZINC001592914647 1174002781 /nfs/dbraw/zinc/00/27/81/1174002781.db2.gz FCTZNURVSXMBFA-UHFFFAOYSA-N -1 1 298.350 1.253 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC1CC2(CCC2)C1 ZINC001592914647 1174002786 /nfs/dbraw/zinc/00/27/86/1174002786.db2.gz FCTZNURVSXMBFA-UHFFFAOYSA-N -1 1 298.350 1.253 20 0 CDADMM O=C(Cc1ccoc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592927813 1174003548 /nfs/dbraw/zinc/00/35/48/1174003548.db2.gz OUGZJAKEAWWNMW-UHFFFAOYSA-N -1 1 270.252 1.036 20 0 CDADMM O=C(Cc1ccoc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592927813 1174003552 /nfs/dbraw/zinc/00/35/52/1174003552.db2.gz OUGZJAKEAWWNMW-UHFFFAOYSA-N -1 1 270.252 1.036 20 0 CDADMM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccsc1-c1nnn[n-]1 ZINC001592983727 1174011683 /nfs/dbraw/zinc/01/16/83/1174011683.db2.gz XOVDVXJGBZDHPD-FKTZTGRPSA-N -1 1 289.364 1.847 20 0 CDADMM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccsc1-c1nn[n-]n1 ZINC001592983727 1174011685 /nfs/dbraw/zinc/01/16/85/1174011685.db2.gz XOVDVXJGBZDHPD-FKTZTGRPSA-N -1 1 289.364 1.847 20 0 CDADMM O=C(NCCC1CCC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593061803 1174017038 /nfs/dbraw/zinc/01/70/38/1174017038.db2.gz SDAGDTKMSFYVAO-UHFFFAOYSA-N -1 1 287.327 1.573 20 0 CDADMM O=C(NCCC1CCC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593061803 1174017048 /nfs/dbraw/zinc/01/70/48/1174017048.db2.gz SDAGDTKMSFYVAO-UHFFFAOYSA-N -1 1 287.327 1.573 20 0 CDADMM O=C(NCC[C@H]1CCCO1)c1csc(-c2nn[n-]n2)c1 ZINC001593099226 1174022521 /nfs/dbraw/zinc/02/25/21/1174022521.db2.gz NQRDSRDNWZODMZ-SECBINFHSA-N -1 1 293.352 1.227 20 0 CDADMM O=C(N[C@H]1C[C@@H]1c1cccnc1)c1coc(-c2nnn[n-]2)c1 ZINC001593188018 1174031957 /nfs/dbraw/zinc/03/19/57/1174031957.db2.gz NKCXQVOEZPBMPB-MNOVXSKESA-N -1 1 296.290 1.141 20 0 CDADMM O=C(N[C@H]1C[C@@H]1c1cccnc1)c1coc(-c2nn[n-]n2)c1 ZINC001593188018 1174031964 /nfs/dbraw/zinc/03/19/64/1174031964.db2.gz NKCXQVOEZPBMPB-MNOVXSKESA-N -1 1 296.290 1.141 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)C1CCCCCCC1 ZINC001593196852 1174032448 /nfs/dbraw/zinc/03/24/48/1174032448.db2.gz AKJAMXMCPVQNPB-UHFFFAOYSA-N -1 1 289.343 1.889 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)C1CCCCCCC1 ZINC001593196852 1174032458 /nfs/dbraw/zinc/03/24/58/1174032458.db2.gz AKJAMXMCPVQNPB-UHFFFAOYSA-N -1 1 289.343 1.889 20 0 CDADMM O=C(Nc1cc2cc[nH]c2cn1)c1coc(-c2nnn[n-]2)c1 ZINC001593213232 1174034207 /nfs/dbraw/zinc/03/42/07/1174034207.db2.gz VKIJJSIXLVAGOG-UHFFFAOYSA-N -1 1 295.262 1.588 20 0 CDADMM O=C(Nc1cc2cc[nH]c2cn1)c1coc(-c2nn[n-]n2)c1 ZINC001593213232 1174034210 /nfs/dbraw/zinc/03/42/10/1174034210.db2.gz VKIJJSIXLVAGOG-UHFFFAOYSA-N -1 1 295.262 1.588 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001593255419 1174040193 /nfs/dbraw/zinc/04/01/93/1174040193.db2.gz HGVVPOVLRKYISX-DVVUODLYSA-N -1 1 299.338 1.572 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001593255419 1174040200 /nfs/dbraw/zinc/04/02/00/1174040200.db2.gz HGVVPOVLRKYISX-DVVUODLYSA-N -1 1 299.338 1.572 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc(Cl)o1 ZINC001593259478 1174043813 /nfs/dbraw/zinc/04/38/13/1174043813.db2.gz APCXITMBSGHWDP-UHFFFAOYSA-N -1 1 279.647 1.089 20 0 CDADMM O=C(OC[C@@H]1CC1(F)F)c1coc(-c2nnn[n-]2)c1 ZINC001593285880 1174052175 /nfs/dbraw/zinc/05/21/75/1174052175.db2.gz ZIUYZCIBHQQPQA-LURJTMIESA-N -1 1 270.195 1.272 20 0 CDADMM O=C(OC[C@H]1C[C@H]2C[C@H]2C1)c1ccc(-c2nn[n-]n2)o1 ZINC001593291295 1174054376 /nfs/dbraw/zinc/05/43/76/1174054376.db2.gz ILTCTJOJEDTCMJ-PSVAKVPMSA-N -1 1 274.280 1.663 20 0 CDADMM O=C(OCC[C@H]1CCOC1)c1csc(-c2nnn[n-]2)c1 ZINC001593287126 1174055814 /nfs/dbraw/zinc/05/58/14/1174055814.db2.gz FNMLMSOSYQVARV-MRVPVSSYSA-N -1 1 294.336 1.512 20 0 CDADMM O=C(OCC[C@H]1CCOC1)c1csc(-c2nn[n-]n2)c1 ZINC001593287126 1174055816 /nfs/dbraw/zinc/05/58/16/1174055816.db2.gz FNMLMSOSYQVARV-MRVPVSSYSA-N -1 1 294.336 1.512 20 0 CDADMM O=C(OCCc1cccnc1)c1cccc(-c2nnn[n-]2)n1 ZINC001593292607 1174056138 /nfs/dbraw/zinc/05/61/38/1174056138.db2.gz FHCVRYVCFKYUDL-UHFFFAOYSA-N -1 1 296.290 1.056 20 0 CDADMM O=C(OCCc1cccnc1)c1cccc(-c2nn[n-]n2)n1 ZINC001593292607 1174056144 /nfs/dbraw/zinc/05/61/44/1174056144.db2.gz FHCVRYVCFKYUDL-UHFFFAOYSA-N -1 1 296.290 1.056 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1Cc2cccnc2C1 ZINC001593338168 1174066753 /nfs/dbraw/zinc/06/67/53/1174066753.db2.gz PGLGZNVNYYAWDR-UHFFFAOYSA-N -1 1 298.331 1.479 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1Cc2cccnc2C1 ZINC001593338168 1174066758 /nfs/dbraw/zinc/06/67/58/1174066758.db2.gz PGLGZNVNYYAWDR-UHFFFAOYSA-N -1 1 298.331 1.479 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@@H]1C1CCC1 ZINC001593349062 1174068818 /nfs/dbraw/zinc/06/88/18/1174068818.db2.gz XSESRCKWGSJSBE-CYBMUJFWSA-N -1 1 298.350 1.666 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@@H]1C1CCC1 ZINC001593349062 1174068823 /nfs/dbraw/zinc/06/88/23/1174068823.db2.gz XSESRCKWGSJSBE-CYBMUJFWSA-N -1 1 298.350 1.666 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@@H](CF)C1 ZINC001593368142 1174071702 /nfs/dbraw/zinc/07/17/02/1174071702.db2.gz UMPUBAKDLHRSHF-QMMMGPOBSA-N -1 1 279.275 1.281 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@@H](CF)C1 ZINC001593368142 1174071706 /nfs/dbraw/zinc/07/17/06/1174071706.db2.gz UMPUBAKDLHRSHF-QMMMGPOBSA-N -1 1 279.275 1.281 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC(CC2CC2)C1 ZINC001593368198 1174072244 /nfs/dbraw/zinc/07/22/44/1174072244.db2.gz WBBQXTNHVDBIMB-UHFFFAOYSA-N -1 1 273.296 1.332 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC(CC2CC2)C1 ZINC001593368198 1174072248 /nfs/dbraw/zinc/07/22/48/1174072248.db2.gz WBBQXTNHVDBIMB-UHFFFAOYSA-N -1 1 273.296 1.332 20 0 CDADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)C1CCC(=O)CC1 ZINC001593387903 1174074331 /nfs/dbraw/zinc/07/43/31/1174074331.db2.gz XOODTLHGULJMCP-UHFFFAOYSA-N -1 1 290.279 1.262 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)C1CCC(=O)CC1 ZINC001593387903 1174074339 /nfs/dbraw/zinc/07/43/39/1174074339.db2.gz XOODTLHGULJMCP-UHFFFAOYSA-N -1 1 290.279 1.262 20 0 CDADMM O=c1sccn1Cc1ccc(-c2nn[n-]n2)s1 ZINC001593498415 1174089086 /nfs/dbraw/zinc/08/90/86/1174089086.db2.gz MYNGULMBYOFLEO-UHFFFAOYSA-N -1 1 265.323 1.200 20 0 CDADMM O[C@H]1CCCC[C@H]1CCNc1cccc(-c2nnn[n-]2)n1 ZINC001593538551 1174110381 /nfs/dbraw/zinc/11/03/81/1174110381.db2.gz SJWFUYKRILNSRP-JQWIXIFHSA-N -1 1 288.355 1.615 20 0 CDADMM O[C@H]1CCCC[C@H]1CCNc1cccc(-c2nn[n-]n2)n1 ZINC001593538551 1174110384 /nfs/dbraw/zinc/11/03/84/1174110384.db2.gz SJWFUYKRILNSRP-JQWIXIFHSA-N -1 1 288.355 1.615 20 0 CDADMM O[C@H]1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001593538284 1174110454 /nfs/dbraw/zinc/11/04/54/1174110454.db2.gz DLOSOIAUOJOSLW-ONGXEEELSA-N -1 1 289.343 1.010 20 0 CDADMM O[C@H]1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001593538284 1174110457 /nfs/dbraw/zinc/11/04/57/1174110457.db2.gz DLOSOIAUOJOSLW-ONGXEEELSA-N -1 1 289.343 1.010 20 0 CDADMM c1cc(CNc2cncc(-c3nnn[n-]3)n2)cc2c1COC2 ZINC001593564007 1174139006 /nfs/dbraw/zinc/13/90/06/1174139006.db2.gz BJPWVIPXQGJJNW-UHFFFAOYSA-N -1 1 295.306 1.299 20 0 CDADMM c1cc(CNc2cncc(-c3nn[n-]n3)n2)cc2c1COC2 ZINC001593564007 1174139014 /nfs/dbraw/zinc/13/90/14/1174139014.db2.gz BJPWVIPXQGJJNW-UHFFFAOYSA-N -1 1 295.306 1.299 20 0 CDADMM c1cn(C[C@@H]2C[C@H]2c2ccccc2)c(-c2nnn[n-]2)n1 ZINC001593577628 1174144766 /nfs/dbraw/zinc/14/47/66/1174144766.db2.gz VNYGIRQIYVSTRN-RYUDHWBXSA-N -1 1 266.308 1.867 20 0 CDADMM c1cn(C[C@@H]2C[C@H]2c2ccccc2)c(-c2nn[n-]n2)n1 ZINC001593577628 1174144769 /nfs/dbraw/zinc/14/47/69/1174144769.db2.gz VNYGIRQIYVSTRN-RYUDHWBXSA-N -1 1 266.308 1.867 20 0 CDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC2(CC2)C1 ZINC001593577732 1174145945 /nfs/dbraw/zinc/14/59/45/1174145945.db2.gz JHYLHRFMXLIXJK-UHFFFAOYSA-N -1 1 293.334 1.800 20 0 CDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC2(CC2)C1 ZINC001593577732 1174145951 /nfs/dbraw/zinc/14/59/51/1174145951.db2.gz JHYLHRFMXLIXJK-UHFFFAOYSA-N -1 1 293.334 1.800 20 0 CDADMM c1csc([C@@H]2CCN(c3cccnc3-c3nnn[n-]3)C2)n1 ZINC001593583084 1174151309 /nfs/dbraw/zinc/15/13/09/1174151309.db2.gz MYQQNIDRCVIUNX-SECBINFHSA-N -1 1 299.363 1.712 20 0 CDADMM c1csc([C@@H]2CCN(c3cccnc3-c3nn[n-]n3)C2)n1 ZINC001593583084 1174151315 /nfs/dbraw/zinc/15/13/15/1174151315.db2.gz MYQQNIDRCVIUNX-SECBINFHSA-N -1 1 299.363 1.712 20 0 CDADMM c1cncc([C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001593587453 1174155911 /nfs/dbraw/zinc/15/59/11/1174155911.db2.gz HCWCWZMKQGVCDY-NSHDSACASA-N -1 1 294.322 1.046 20 0 CDADMM c1cncc([C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001593587453 1174155914 /nfs/dbraw/zinc/15/59/14/1174155914.db2.gz HCWCWZMKQGVCDY-NSHDSACASA-N -1 1 294.322 1.046 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NCC[C@H]2CCSC2)n1 ZINC001593595458 1174164474 /nfs/dbraw/zinc/16/44/74/1174164474.db2.gz QOJUWGPNNBJXSQ-QMMMGPOBSA-N -1 1 277.357 1.212 20 0 CDADMM Cc1[nH]ncc1CN(C)c1nc(C)cc(C(=O)[O-])n1 ZINC001600125298 1174366807 /nfs/dbraw/zinc/36/68/07/1174366807.db2.gz KGPATBSGEAXFQR-UHFFFAOYSA-N -1 1 261.285 1.151 20 0 CDADMM Cc1cc(CN[C@@H](CO)c2ccnn2C)ccc1C(=O)[O-] ZINC001600204582 1174406370 /nfs/dbraw/zinc/40/63/70/1174406370.db2.gz AIYFMKIQOQCZCK-ZDUSSCGKSA-N -1 1 289.335 1.250 20 0 CDADMM NCc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)o1 ZINC000094569476 1174479217 /nfs/dbraw/zinc/47/92/17/1174479217.db2.gz UCYHCWPCFULEPY-UHFFFAOYSA-N -1 1 260.249 1.689 20 0 CDADMM Cc1cccc(C)c1OCCN1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001600523267 1174495424 /nfs/dbraw/zinc/49/54/24/1174495424.db2.gz QHOWVWMEVRTYBI-UONOGXRCSA-N -1 1 293.363 1.592 20 0 CDADMM Cc1noc([C@H]2CCCN(Cc3oncc3C(=O)[O-])C2)n1 ZINC001600813462 1174624055 /nfs/dbraw/zinc/62/40/55/1174624055.db2.gz MZSOYJJOIIFYLQ-VIFPVBQESA-N -1 1 292.295 1.444 20 0 CDADMM Cc1oc(CNC[C@H](O)C2(O)CCCC2)cc1C(=O)[O-] ZINC001600852529 1174643623 /nfs/dbraw/zinc/64/36/23/1174643623.db2.gz SRJLYAIESHSZKW-LBPRGKRZSA-N -1 1 283.324 1.042 20 0 CDADMM Cc1oc(CNCc2n[nH]c(C3CC3)n2)cc1C(=O)[O-] ZINC001600852596 1174643732 /nfs/dbraw/zinc/64/37/32/1174643732.db2.gz XHUVVKMFYHPLFU-UHFFFAOYSA-N -1 1 276.296 1.572 20 0 CDADMM Cc1sc(C(=O)[O-])cc1NC(=O)N1CC(N(C)C)C1 ZINC001600870545 1174650932 /nfs/dbraw/zinc/65/09/32/1174650932.db2.gz NWSZEWWYRDAFGB-UHFFFAOYSA-N -1 1 283.353 1.532 20 0 CDADMM COc1ccccc1CNc1ccnc(-c2nnn[n-]2)c1 ZINC000103628417 1174683156 /nfs/dbraw/zinc/68/31/56/1174683156.db2.gz RGCXNQDRCPUWCX-UHFFFAOYSA-N -1 1 282.307 1.882 20 0 CDADMM COc1ccccc1CNc1ccnc(-c2nn[n-]n2)c1 ZINC000103628417 1174683161 /nfs/dbraw/zinc/68/31/61/1174683161.db2.gz RGCXNQDRCPUWCX-UHFFFAOYSA-N -1 1 282.307 1.882 20 0 CDADMM O=C([O-])[C@H]1[C@H](O)CCCN1CCOC1CCCCCC1 ZINC001601754281 1174987548 /nfs/dbraw/zinc/98/75/48/1174987548.db2.gz NGZWBAPYGBZMJY-ZIAGYGMSSA-N -1 1 285.384 1.636 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1cc2ccncc2s1 ZINC001601774677 1175001082 /nfs/dbraw/zinc/00/10/82/1175001082.db2.gz ZEUMUWLEWPJQBZ-KOLCDFICSA-N -1 1 278.333 1.316 20 0 CDADMM O=C([O-])[C@H]1CC12CCN(Cc1cn(CC3CC3)nn1)CC2 ZINC001601774797 1175001376 /nfs/dbraw/zinc/00/13/76/1175001376.db2.gz PPRJCBIYNMEPDI-CYBMUJFWSA-N -1 1 290.367 1.375 20 0 CDADMM O=C([O-])C[C@@H](CNC(=O)c1cncc2nc[nH]c21)C1CC1 ZINC001601894680 1175056109 /nfs/dbraw/zinc/05/61/09/1175056109.db2.gz OAFNETFBNHBLDK-VIFPVBQESA-N -1 1 288.307 1.189 20 0 CDADMM O=C([O-])Cc1ccccc1CN1CC[C@](F)(CO)C1 ZINC001602144926 1175141700 /nfs/dbraw/zinc/14/17/00/1175141700.db2.gz YHOWFAFFVCPKEM-CQSZACIVSA-N -1 1 267.300 1.220 20 0 CDADMM O=C([O-])c1cc(C(=O)OCc2cc(C3CC3)[nH]n2)on1 ZINC001602250670 1175180975 /nfs/dbraw/zinc/18/09/75/1175180975.db2.gz KQPLGFYDYFTPLL-UHFFFAOYSA-N -1 1 277.236 1.330 20 0 CDADMM O=C([O-])c1ccc(C(=O)N2CCN3CCC2CC3)cc1F ZINC001602319991 1175202125 /nfs/dbraw/zinc/20/21/25/1175202125.db2.gz BLMFYBLKSCBXRY-UHFFFAOYSA-N -1 1 292.310 1.444 20 0 CDADMM O=C([O-])c1ccc(CN[C@@H](c2nnc[nH]2)c2ccccc2)o1 ZINC001602344392 1175216441 /nfs/dbraw/zinc/21/64/41/1175216441.db2.gz FROZFEMZSUDGEQ-CYBMUJFWSA-N -1 1 298.302 1.975 20 0 CDADMM O=C([O-])c1ccc(NC(=O)c2cccc3nc[nH]c32)cn1 ZINC001602379884 1175228208 /nfs/dbraw/zinc/22/82/08/1175228208.db2.gz XDTPLINSPOQLDX-UHFFFAOYSA-N -1 1 282.259 1.908 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)[C@H]3CCC=CO3)[nH]c21 ZINC001602454897 1175246826 /nfs/dbraw/zinc/24/68/26/1175246826.db2.gz TWFOBGGYVVJTCE-SNVBAGLBSA-N -1 1 287.275 1.892 20 0 CDADMM O=C([O-])c1nccnc1NCc1n[nH]c(-c2ccccc2)n1 ZINC001602579698 1175306747 /nfs/dbraw/zinc/30/67/47/1175306747.db2.gz JYKZJWVKHGXILC-UHFFFAOYSA-N -1 1 296.290 1.572 20 0 CDADMM O=C([O-])c1nccnc1NCc1nc(-c2ccccc2)n[nH]1 ZINC001602579698 1175306752 /nfs/dbraw/zinc/30/67/52/1175306752.db2.gz JYKZJWVKHGXILC-UHFFFAOYSA-N -1 1 296.290 1.572 20 0 CDADMM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1cccc(F)c1O)C2 ZINC001602626779 1175330084 /nfs/dbraw/zinc/33/00/84/1175330084.db2.gz OYTSCDTVRNRPRW-VFZGTOFNSA-N -1 1 293.294 1.858 20 0 CDADMM CC(=O)[C@@H](C)CCOC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001602912528 1175449257 /nfs/dbraw/zinc/44/92/57/1175449257.db2.gz TYULWUWQDYSOPZ-ZETCQYMHSA-N -1 1 278.268 1.232 20 0 CDADMM CC(=O)[C@@H](C)CCOC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001602912528 1175449258 /nfs/dbraw/zinc/44/92/58/1175449258.db2.gz TYULWUWQDYSOPZ-ZETCQYMHSA-N -1 1 278.268 1.232 20 0 CDADMM CC(=O)CCCCCNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001602913965 1175450895 /nfs/dbraw/zinc/45/08/95/1175450895.db2.gz JTMVYXRHLMRLJA-UHFFFAOYSA-N -1 1 291.311 1.339 20 0 CDADMM CC(=O)CCCCCNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001602913965 1175450898 /nfs/dbraw/zinc/45/08/98/1175450898.db2.gz JTMVYXRHLMRLJA-UHFFFAOYSA-N -1 1 291.311 1.339 20 0 CDADMM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC001603027983 1175478088 /nfs/dbraw/zinc/47/80/88/1175478088.db2.gz LWNWLEKILJGAOW-PSASIEDQSA-N -1 1 288.311 1.015 20 0 CDADMM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001603027983 1175478099 /nfs/dbraw/zinc/47/80/99/1175478099.db2.gz LWNWLEKILJGAOW-PSASIEDQSA-N -1 1 288.311 1.015 20 0 CDADMM CC(C)[C@H](O)C1(CNc2cccnc2-c2nnn[n-]2)CC1 ZINC001603231465 1175522535 /nfs/dbraw/zinc/52/25/35/1175522535.db2.gz VRNKULNTGYCCJD-LBPRGKRZSA-N -1 1 288.355 1.471 20 0 CDADMM CC(C)[C@H](O)C1(CNc2cccnc2-c2nn[n-]n2)CC1 ZINC001603231465 1175522540 /nfs/dbraw/zinc/52/25/40/1175522540.db2.gz VRNKULNTGYCCJD-LBPRGKRZSA-N -1 1 288.355 1.471 20 0 CDADMM CC(C)C[C@@H](C)Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001603259277 1175528556 /nfs/dbraw/zinc/52/85/56/1175528556.db2.gz FRAZRAYUEYWDMS-SNVBAGLBSA-N -1 1 261.329 1.711 20 0 CDADMM CC(C)C[C@H]1COCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001603271097 1175530014 /nfs/dbraw/zinc/53/00/14/1175530014.db2.gz 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CCC[C@H](NC(=O)[C@@H]1[C@H](C)[C@H]1C1CC1)c1nn[n-]n1 ZINC000528798135 281288024 /nfs/dbraw/zinc/28/80/24/281288024.db2.gz KIVMIKBXFGGFRL-GRLWKWRFSA-N -1 1 263.345 1.449 20 0 CDADMM CC[C@H](C(=O)Nc1cccc(F)c1[O-])N1CCCC1=O ZINC000530005547 281414046 /nfs/dbraw/zinc/41/40/46/281414046.db2.gz MIEMKVLMCHHQTB-LLVKDONJSA-N -1 1 280.299 1.871 20 0 CDADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2)co1 ZINC000157261756 289282430 /nfs/dbraw/zinc/28/24/30/289282430.db2.gz YFAMAYCFOVTSAR-UHFFFAOYSA-N -1 1 294.332 1.118 20 0 CDADMM CC(=O)N1CC[C@@H](NC(=O)c2ccc3ccccc3c2[O-])C1 ZINC000158979285 289322263 /nfs/dbraw/zinc/32/22/63/289322263.db2.gz RRWVQZAXIBINJK-CYBMUJFWSA-N -1 1 298.342 1.896 20 0 CDADMM CN1CC(=O)N[C@H]1c1cccc([O-])c1Br ZINC000335275198 289864905 /nfs/dbraw/zinc/86/49/05/289864905.db2.gz CVNCNFNCKSYFII-SNVBAGLBSA-N -1 1 271.114 1.215 20 0 CDADMM CCCC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590538163 1173456164 /nfs/dbraw/zinc/45/61/64/1173456164.db2.gz FFSFXNDCEZVJCE-UHFFFAOYSA-N -1 1 251.315 1.345 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1173612337 /nfs/dbraw/zinc/61/23/37/1173612337.db2.gz FUZZAMVZVPKOSQ-HQJQHLMTSA-N -1 1 291.311 1.003 20 0 CDADMM CS[C@H]1C[C@@H](OC(=O)c2cc(-c3nnn[n-]3)oc2C)C1 ZINC001591702459 1173688907 /nfs/dbraw/zinc/68/89/07/1173688907.db2.gz GFJSFUCNZARLBH-OCAPTIKFSA-N -1 1 294.336 1.819 20 0 CDADMM CS[C@H]1C[C@@H](OC(=O)c2cc(-c3nn[n-]n3)oc2C)C1 ZINC001591702459 1173688916 /nfs/dbraw/zinc/68/89/16/1173688916.db2.gz GFJSFUCNZARLBH-OCAPTIKFSA-N -1 1 294.336 1.819 20 0 CDADMM Cn1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)nn1 ZINC000350612854 316187316 /nfs/dbraw/zinc/18/73/16/316187316.db2.gz QLSUPNJHLMRFFK-UHFFFAOYSA-N -1 1 261.216 1.377 20 0 CDADMM Cc1cnc(SCc2nnc3n2CCCC3)[n-]c1=O ZINC000569356812 316770252 /nfs/dbraw/zinc/77/02/52/316770252.db2.gz MUIGWDPBFLAGAE-UHFFFAOYSA-N -1 1 277.353 1.711 20 0 CDADMM COC[C@H](NC(=O)c1ccc([O-])cc1F)[C@@H]1CCCO1 ZINC000576101642 317075085 /nfs/dbraw/zinc/07/50/85/317075085.db2.gz GQVOUTGIYSOUCI-STQMWFEESA-N -1 1 283.299 1.455 20 0 CDADMM 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/nfs/dbraw/zinc/05/03/56/576050356.db2.gz ZQGMXPNILMMTCS-UHFFFAOYSA-N -1 1 295.302 1.661 20 0 CDADMM O=C(OCCc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738223975 576050357 /nfs/dbraw/zinc/05/03/57/576050357.db2.gz ZQGMXPNILMMTCS-UHFFFAOYSA-N -1 1 295.302 1.661 20 0 CDADMM CCc1cc(=O)[n-]c(SCc2nonc2C)n1 ZINC000767056932 576156643 /nfs/dbraw/zinc/15/66/43/576156643.db2.gz BKAWZTBJBBJUJB-UHFFFAOYSA-N -1 1 252.299 1.728 20 0 CDADMM O=C([O-])c1cccc(NC(=O)CN2CC[C@H](CCO)C2)c1 ZINC000739275051 576197569 /nfs/dbraw/zinc/19/75/69/576197569.db2.gz UIFDPJPXFDKXRY-LLVKDONJSA-N -1 1 292.335 1.028 20 0 CDADMM COc1ccc(C(=O)Nc2nc(SC)n[nH]2)nc1Cl ZINC000767922046 576238928 /nfs/dbraw/zinc/23/89/28/576238928.db2.gz FPCBIOZNCJXJLS-UHFFFAOYSA-N -1 1 299.743 1.836 20 0 CDADMM O=C([O-])[C@@H]1CCCN(CN2C(=O)C[C@@H]2c2ccccc2)C1 ZINC000739583619 576261023 /nfs/dbraw/zinc/26/10/23/576261023.db2.gz WUTJGLJVDOWPRJ-ZIAGYGMSSA-N -1 1 288.347 1.714 20 0 CDADMM O=C(Nc1ccc2nncn2c1)c1ccc([O-])c(F)c1 ZINC000768384687 576278937 /nfs/dbraw/zinc/27/89/37/576278937.db2.gz PFGFQOMACBEHLA-UHFFFAOYSA-N -1 1 272.239 1.826 20 0 CDADMM C[C@H](O)[C@H]1CCCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000768388933 576279216 /nfs/dbraw/zinc/27/92/16/576279216.db2.gz MILNDBQQFZYAPR-JOYOIKCWSA-N -1 1 267.300 1.907 20 0 CDADMM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)c1cnc[nH]1 ZINC000739795240 576295614 /nfs/dbraw/zinc/29/56/14/576295614.db2.gz GPCZPYLDXLVGBK-UHFFFAOYSA-N -1 1 295.245 1.415 20 0 CDADMM COCCn1c(=O)cc([O-])nc1SCC1CC1 ZINC000763172542 576718516 /nfs/dbraw/zinc/71/85/16/576718516.db2.gz QLZVAFWGSCBADP-UHFFFAOYSA-N -1 1 256.327 1.097 20 0 CDADMM Cn1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)c1 ZINC000764113750 576781145 /nfs/dbraw/zinc/78/11/45/576781145.db2.gz ZOSKGUAPYSKNBQ-UHFFFAOYSA-N -1 1 286.287 1.139 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCCOCC1 ZINC000747371171 576867289 /nfs/dbraw/zinc/86/72/89/576867289.db2.gz NMDXJSURGFAVLY-UHFFFAOYSA-N -1 1 279.340 1.477 20 0 CDADMM O=C(Nc1ccncc1[O-])c1cnn(-c2ccccc2)n1 ZINC000747974357 576890825 /nfs/dbraw/zinc/89/08/25/576890825.db2.gz JHSJCEGQLQSSHG-UHFFFAOYSA-N -1 1 281.275 1.042 20 0 CDADMM O=C(NC[C@@]1(O)CCSC1)c1c([O-])cccc1Cl ZINC000748422930 576911992 /nfs/dbraw/zinc/91/19/92/576911992.db2.gz ILUINPPZXLKTMT-LBPRGKRZSA-N -1 1 287.768 1.643 20 0 CDADMM O=C([O-])[C@@H](c1ccccc1F)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC001601826172 1175024285 /nfs/dbraw/zinc/02/42/85/1175024285.db2.gz AOFNJTHQSGRAIR-LDYMZIIASA-N -1 1 267.256 1.358 20 0 CDADMM O=C([O-])[C@@H]1CSCCN(Cc2cncc(Cl)c2)C1 ZINC001601857711 1175039279 /nfs/dbraw/zinc/03/92/79/1175039279.db2.gz UAYGSVBJWIUUKU-JTQLQIEISA-N -1 1 286.784 1.985 20 0 CDADMM O=C([O-])CCC1(NC(=O)c2ncn[nH]2)CCCCC1 ZINC001601975191 1175092624 /nfs/dbraw/zinc/09/26/24/1175092624.db2.gz XKDDGJIQUQKCLP-UHFFFAOYSA-N -1 1 266.301 1.102 20 0 CDADMM O=C([O-])CCC1(NC(=O)c2nc[nH]n2)CCCCC1 ZINC001601975191 1175092631 /nfs/dbraw/zinc/09/26/31/1175092631.db2.gz XKDDGJIQUQKCLP-UHFFFAOYSA-N -1 1 266.301 1.102 20 0 CDADMM O=C([O-])CNC(=O)[C@@H]1CCC[N@H+]1CCCCC(F)(F)F ZINC001602068307 1175124852 /nfs/dbraw/zinc/12/48/52/1175124852.db2.gz OEEKTFCJXDBWHQ-VIFPVBQESA-N -1 1 296.289 1.384 20 0 CDADMM O=C([O-])CNC(=O)[C@@H]1CCCN1CCCCC(F)(F)F ZINC001602068307 1175124858 /nfs/dbraw/zinc/12/48/58/1175124858.db2.gz OEEKTFCJXDBWHQ-VIFPVBQESA-N -1 1 296.289 1.384 20 0 CDADMM CCc1ccccc1CNc1nccnc1-c1nnn[n-]1 ZINC000095178013 598972051 /nfs/dbraw/zinc/97/20/51/598972051.db2.gz SSLNHZAVRSYOCL-UHFFFAOYSA-N -1 1 281.323 1.831 20 0 CDADMM CCc1ccccc1CNc1nccnc1-c1nn[n-]n1 ZINC000095178013 598972053 /nfs/dbraw/zinc/97/20/53/598972053.db2.gz SSLNHZAVRSYOCL-UHFFFAOYSA-N -1 1 281.323 1.831 20 0 CDADMM O=C([O-])CC1(NC(=O)c2[nH]nc3c2CCC3)CCC1 ZINC000833206259 601437338 /nfs/dbraw/zinc/43/73/38/601437338.db2.gz ZORPKXYMEXHQFU-UHFFFAOYSA-N -1 1 263.297 1.026 20 0 CDADMM C[C@@H]1CN(Cc2nnc(C3CC3)o2)C[C@@H]1C(=O)[O-] ZINC000700332398 601531239 /nfs/dbraw/zinc/53/12/39/601531239.db2.gz BYCLRCSWOJMMFE-APPZFPTMSA-N -1 1 251.286 1.100 20 0 CDADMM O[C@@H](CCNc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000823672099 599086084 /nfs/dbraw/zinc/08/60/84/599086084.db2.gz AKHIIZURKMQMAW-ZDUSSCGKSA-N -1 1 296.334 1.797 20 0 CDADMM O[C@@H](CCNc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000823672099 599086087 /nfs/dbraw/zinc/08/60/87/599086087.db2.gz AKHIIZURKMQMAW-ZDUSSCGKSA-N -1 1 296.334 1.797 20 0 CDADMM C[C@H](CN1CCC(CCC(=O)[O-])CC1)CS(C)(=O)=O ZINC000705558243 601962831 /nfs/dbraw/zinc/96/28/31/601962831.db2.gz WQLHEUFSPJFFAT-LLVKDONJSA-N -1 1 291.413 1.244 20 0 CDADMM O=C([O-])c1ccc(CNCC2(Br)CC2)o1 ZINC001602346503 1175218860 /nfs/dbraw/zinc/21/88/60/1175218860.db2.gz MPNZMTGKGZNRGY-UHFFFAOYSA-N -1 1 274.114 1.995 20 0 CDADMM CCc1nnc([C@H](C)N2CCC[C@@H](CC(=O)[O-])C2)o1 ZINC000818350812 597077972 /nfs/dbraw/zinc/07/79/72/597077972.db2.gz UKHYBJKAYILSIK-UWVGGRQHSA-N -1 1 267.329 1.880 20 0 CDADMM Cc1oc(C(=O)[O-])cc1CN(C)C[C@H]1CN(C)CCO1 ZINC000707843046 599923687 /nfs/dbraw/zinc/92/36/87/599923687.db2.gz XETAQOQQWOGOAV-GFCCVEGCSA-N -1 1 282.340 1.049 20 0 CDADMM O=C([O-])[C@@H]1CCN(Cc2nc(-c3ccco3)no2)C1 ZINC000062134047 597525094 /nfs/dbraw/zinc/52/50/94/597525094.db2.gz WGPPFURGZURAMI-MRVPVSSYSA-N -1 1 263.253 1.236 20 0 CDADMM C[C@H](Cc1ccsc1)N1CCO[C@@H](C(=O)[O-])C1 ZINC000689948246 597731744 /nfs/dbraw/zinc/73/17/44/597731744.db2.gz DDBDWOPSRAWRMJ-MWLCHTKSSA-N -1 1 255.339 1.465 20 0 CDADMM C[C@H](CCc1cccc(F)c1)N1CCO[C@H](C(=O)[O-])C1 ZINC000820095980 597732482 /nfs/dbraw/zinc/73/24/82/597732482.db2.gz XZMURJHLKAVZSU-RISCZKNCSA-N -1 1 281.327 1.932 20 0 CDADMM Cc1cccc2nc(CNC(=O)NCCC(=O)[O-])[nH]c21 ZINC000821116909 598059236 /nfs/dbraw/zinc/05/92/36/598059236.db2.gz XMYUPEMCMSIRCU-UHFFFAOYSA-N -1 1 276.296 1.145 20 0 CDADMM O=C([O-])[C@H]1CCN(Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000821511319 598129709 /nfs/dbraw/zinc/12/97/09/598129709.db2.gz SFZLNSKLXXQFLR-ONGXEEELSA-N -1 1 282.365 1.901 20 0 CDADMM Cc1ccc(O)c(CN2CCCC[C@H]2C(=O)[O-])n1 ZINC000091996628 598132068 /nfs/dbraw/zinc/13/20/68/598132068.db2.gz 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C[C@H](CN(C)CC(=O)Nc1ccc(F)c(F)c1)C(=O)[O-] ZINC000042706087 600374096 /nfs/dbraw/zinc/37/40/96/600374096.db2.gz OGHBGAKKQOEIOM-MRVPVSSYSA-N -1 1 286.278 1.556 20 0 CDADMM CCCCn1ncc(Nc2nccnc2-c2nnn[n-]2)c1C ZINC000821083033 607467787 /nfs/dbraw/zinc/46/77/87/607467787.db2.gz RVQMFMHRHZDSLW-UHFFFAOYSA-N -1 1 299.342 1.705 20 0 CDADMM CCCCn1ncc(Nc2nccnc2-c2nn[n-]n2)c1C ZINC000821083033 607467788 /nfs/dbraw/zinc/46/77/88/607467788.db2.gz RVQMFMHRHZDSLW-UHFFFAOYSA-N -1 1 299.342 1.705 20 0 CDADMM Cc1n[nH]c(SCC(=O)NC2(C(=O)[O-])CCCCC2)n1 ZINC000821152957 600903530 /nfs/dbraw/zinc/90/35/30/600903530.db2.gz MOHVMDRUAAGCTO-UHFFFAOYSA-N -1 1 298.368 1.109 20 0 CDADMM Cc1nnc(SCC(=O)NC2(C(=O)[O-])CCCCC2)[nH]1 ZINC000821152957 600903529 /nfs/dbraw/zinc/90/35/29/600903529.db2.gz MOHVMDRUAAGCTO-UHFFFAOYSA-N -1 1 298.368 1.109 20 0 CDADMM C/C(=C\C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1)C(C)(C)C ZINC000825716705 601102717 /nfs/dbraw/zinc/10/27/17/601102717.db2.gz NKCLTIXFTHXQEK-RSKUSDAESA-N -1 1 296.411 1.986 20 0 CDADMM C[C@@H](C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)N(C)C ZINC000832799933 601138090 /nfs/dbraw/zinc/13/80/90/601138090.db2.gz YRKNCJNYDSUMCT-CMPLNLGQSA-N -1 1 264.325 1.221 20 0 CDADMM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C[C@H](C)C(=O)[O-] ZINC000251083758 601287568 /nfs/dbraw/zinc/28/75/68/601287568.db2.gz INMMDZJQIFVURI-WDEREUQCSA-N -1 1 299.392 1.804 20 0 CDADMM Cc1cccc(OC[C@@H](O)CN2CC[C@](F)(C(=O)[O-])C2)c1 ZINC000832972038 601445390 /nfs/dbraw/zinc/44/53/90/601445390.db2.gz GRVLMXNTNOYLKK-SWLSCSKDSA-N -1 1 297.326 1.233 20 0 CDADMM COC(=O)c1sccc1CN1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000831479860 601527670 /nfs/dbraw/zinc/52/76/70/601527670.db2.gz WGHOWRQUGBZJQR-WCBMZHEXSA-N -1 1 283.349 1.687 20 0 CDADMM CCc1ccccc1NC(=O)CN1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000830281874 601533155 /nfs/dbraw/zinc/53/31/55/601533155.db2.gz FROIJIOOHLHOMX-YPMHNXCESA-N -1 1 290.363 1.840 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@@H+](CCC(=O)[O-])CC(C)C)n1 ZINC000832898808 601603020 /nfs/dbraw/zinc/60/30/20/601603020.db2.gz CQIWUVZLBHNPQE-UHFFFAOYSA-N -1 1 267.329 1.423 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@H+](CCC(=O)[O-])CC(C)C)n1 ZINC000832898808 601603022 /nfs/dbraw/zinc/60/30/22/601603022.db2.gz CQIWUVZLBHNPQE-UHFFFAOYSA-N -1 1 267.329 1.423 20 0 CDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccsc2)CC1 ZINC000827374061 601915789 /nfs/dbraw/zinc/91/57/89/601915789.db2.gz DJFVNJGVLNWAOR-SNVBAGLBSA-N -1 1 297.380 1.761 20 0 CDADMM C[C@]1(C(=O)[O-])CC[N@@H+](Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000062936064 601921346 /nfs/dbraw/zinc/92/13/46/601921346.db2.gz KVWKSMDVNRNSDB-ZDUSSCGKSA-N -1 1 293.348 1.694 20 0 CDADMM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cccc2c[nH]nc21 ZINC000829972400 602075588 /nfs/dbraw/zinc/07/55/88/602075588.db2.gz APQKUTCUXYYLOJ-NSHDSACASA-N -1 1 291.307 1.125 20 0 CDADMM C[C@H](CC(=O)[O-])C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000827295841 602163139 /nfs/dbraw/zinc/16/31/39/602163139.db2.gz ORKDSKZHFDVMPA-SNVBAGLBSA-N -1 1 296.342 1.614 20 0 CDADMM C[C@H](CC(=O)[O-])C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000827304081 602178103 /nfs/dbraw/zinc/17/81/03/602178103.db2.gz OQIZUNFMISCJPM-SSDOTTSWSA-N -1 1 279.271 1.429 20 0 CDADMM CC[C@]1(C)CCN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1 ZINC000829049611 602241286 /nfs/dbraw/zinc/24/12/86/602241286.db2.gz BNKIFIUZYYJELH-SWLSCSKDSA-N -1 1 284.400 1.724 20 0 CDADMM CCC[C@](C)([NH2+]Cc1nc(C)cc(=O)[n-]1)C(=O)[O-] ZINC000700428865 602312685 /nfs/dbraw/zinc/31/26/85/602312685.db2.gz LLHAYCNWGJYZAG-LBPRGKRZSA-N -1 1 253.302 1.224 20 0 CDADMM O=C([O-])c1sccc1C[N@H+]1CCNC(=O)CC12CCC2 ZINC001602634336 1175331698 /nfs/dbraw/zinc/33/16/98/1175331698.db2.gz DLFGSAUFXYYOAP-UHFFFAOYSA-N -1 1 294.376 1.691 20 0 CDADMM C/C=C(/C=C\C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1)CC ZINC000828542225 604299609 /nfs/dbraw/zinc/29/96/09/604299609.db2.gz KIJQUNVAGSJGHH-RVEGLAPXSA-N -1 1 294.395 1.906 20 0 CDADMM Cc1cc(C[C@@H](C)NC(=O)N2CC[C@](C)(C(=O)[O-])C2)n[nH]1 ZINC000832882779 604306954 /nfs/dbraw/zinc/30/69/54/604306954.db2.gz BVTJLTIWZCVNEQ-OTYXRUKQSA-N -1 1 294.355 1.155 20 0 CDADMM C/C(=C/CN1CCN(Cc2cccc(F)c2)CC1)C(=O)[O-] ZINC000825746687 604371368 /nfs/dbraw/zinc/37/13/68/604371368.db2.gz JYDPVEYUZHFCEI-ACAGNQJTSA-N -1 1 292.354 1.974 20 0 CDADMM CC(=O)N1CCCN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000825834738 604381507 /nfs/dbraw/zinc/38/15/07/604381507.db2.gz VRJIWBYLZXBDGU-NSHDSACASA-N -1 1 294.351 1.901 20 0 CDADMM C/C(=C\CN1CCN(c2cc(C)ccn2)CC1)C(=O)[O-] ZINC000825747784 604391873 /nfs/dbraw/zinc/39/18/73/604391873.db2.gz YNDXVBOFOFXPEF-YIXHJXPBSA-N -1 1 275.352 1.543 20 0 CDADMM CCn1cc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cn1 ZINC000833682016 604869810 /nfs/dbraw/zinc/86/98/10/604869810.db2.gz GZIHLZNNXCSPPV-UHFFFAOYSA-N -1 1 299.290 1.730 20 0 CDADMM O=C([O-])c1cncc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000002458684 604888610 /nfs/dbraw/zinc/88/86/10/604888610.db2.gz LXSBANJPQYFVEQ-UHFFFAOYSA-N -1 1 296.279 1.720 20 0 CDADMM C[C@@H]1C[C@@H](O)CN1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000833596565 604936653 /nfs/dbraw/zinc/93/66/53/604936653.db2.gz FJDUGZTVNSMTDP-MWLCHTKSSA-N -1 1 299.754 1.872 20 0 CDADMM C[C@@H](C(N)=O)N(C)Cc1c2ccccc2sc1C(=O)[O-] ZINC000711112803 604971388 /nfs/dbraw/zinc/97/13/88/604971388.db2.gz GREDMIYEBKRREX-QMMMGPOBSA-N -1 1 292.360 1.905 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CC=CCC1 ZINC000833624043 605102762 /nfs/dbraw/zinc/10/27/62/605102762.db2.gz UIUASOOSLLGNPF-CHWSQXEVSA-N -1 1 280.368 1.350 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C\c1ccco1 ZINC000833619977 605105667 /nfs/dbraw/zinc/10/56/67/605105667.db2.gz JPACYWJIKOBHHQ-QMAVJUDZSA-N -1 1 292.335 1.300 20 0 CDADMM CC(C)CO[C@@H]1CCN(Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC000833489761 605113335 /nfs/dbraw/zinc/11/33/35/605113335.db2.gz JUDZIZTWFOXVLQ-GFCCVEGCSA-N -1 1 266.341 1.960 20 0 CDADMM C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000833602412 605257070 /nfs/dbraw/zinc/25/70/70/605257070.db2.gz JFSHJCNCADSLFP-UWVGGRQHSA-N -1 1 277.324 1.591 20 0 CDADMM CCn1cc(CN(C)C[C@H]2CC(C(=O)[O-])=C(C)O2)cn1 ZINC000833682724 605341374 /nfs/dbraw/zinc/34/13/74/605341374.db2.gz TVRGYAKXQWYXIW-GFCCVEGCSA-N -1 1 279.340 1.482 20 0 CDADMM COCCCCCN1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC000833724471 605684023 /nfs/dbraw/zinc/68/40/23/605684023.db2.gz DJNMKBUMRBGTKA-NWDGAFQWSA-N -1 1 287.356 1.141 20 0 CDADMM CN(c1snc(Cl)c1-c1nnn[n-]1)C1CCC1 ZINC000821619309 606126521 /nfs/dbraw/zinc/12/65/21/606126521.db2.gz QUBHVRJKQWYYLB-UHFFFAOYSA-N -1 1 270.749 1.965 20 0 CDADMM CN(c1snc(Cl)c1-c1nn[n-]n1)C1CCC1 ZINC000821619309 606126522 /nfs/dbraw/zinc/12/65/22/606126522.db2.gz QUBHVRJKQWYYLB-UHFFFAOYSA-N -1 1 270.749 1.965 20 0 CDADMM CCC[C@H]1C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821034384 606443023 /nfs/dbraw/zinc/44/30/23/606443023.db2.gz LKGOHAVNCRXSFA-YUMQZZPRSA-N -1 1 277.353 1.847 20 0 CDADMM CCC[C@H]1C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821034384 606443025 /nfs/dbraw/zinc/44/30/25/606443025.db2.gz LKGOHAVNCRXSFA-YUMQZZPRSA-N -1 1 277.353 1.847 20 0 CDADMM Clc1ccc(Nc2cn[nH]c2)nc1-c1nnn[n-]1 ZINC000822579029 606450584 /nfs/dbraw/zinc/45/05/84/606450584.db2.gz UTGMKNKFFZNLHM-UHFFFAOYSA-N -1 1 262.664 1.382 20 0 CDADMM Clc1ccc(Nc2cn[nH]c2)nc1-c1nn[n-]n1 ZINC000822579029 606450586 /nfs/dbraw/zinc/45/05/86/606450586.db2.gz UTGMKNKFFZNLHM-UHFFFAOYSA-N -1 1 262.664 1.382 20 0 CDADMM C[C@H](Cc1ccncc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC000820308729 606479093 /nfs/dbraw/zinc/47/90/93/606479093.db2.gz XASZGZBLGUEBDL-SNVBAGLBSA-N -1 1 281.323 1.700 20 0 CDADMM C[C@H](Cc1ccncc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC000820308729 606479095 /nfs/dbraw/zinc/47/90/95/606479095.db2.gz XASZGZBLGUEBDL-SNVBAGLBSA-N -1 1 281.323 1.700 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H]1CCOC1 ZINC000820390183 606572465 /nfs/dbraw/zinc/57/24/65/606572465.db2.gz FVQSCSURMGHLCX-JGVFFNPUSA-N -1 1 293.352 1.083 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H]1CCOC1 ZINC000820390183 606572467 /nfs/dbraw/zinc/57/24/67/606572467.db2.gz FVQSCSURMGHLCX-JGVFFNPUSA-N -1 1 293.352 1.083 20 0 CDADMM Clc1ccc(NCc2ccncc2)nc1-c1nnn[n-]1 ZINC000822579144 606787123 /nfs/dbraw/zinc/78/71/23/606787123.db2.gz WJISRELTUKSGBK-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM Clc1ccc(NCc2ccncc2)nc1-c1nn[n-]n1 ZINC000822579144 606787124 /nfs/dbraw/zinc/78/71/24/606787124.db2.gz WJISRELTUKSGBK-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)C1CC=CC1 ZINC000823379657 607105483 /nfs/dbraw/zinc/10/54/83/607105483.db2.gz CNWCBZWWBZCSSR-UHFFFAOYSA-N -1 1 262.298 1.228 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)C1CC=CC1 ZINC000823379657 607105485 /nfs/dbraw/zinc/10/54/85/607105485.db2.gz CNWCBZWWBZCSSR-UHFFFAOYSA-N -1 1 262.298 1.228 20 0 CDADMM CC[C@@H](CCOC)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825114067 607836678 /nfs/dbraw/zinc/83/66/78/607836678.db2.gz JAMVDNMURVCWAB-JTQLQIEISA-N -1 1 291.311 1.234 20 0 CDADMM CC[C@@H](CCOC)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825114067 607836679 /nfs/dbraw/zinc/83/66/79/607836679.db2.gz JAMVDNMURVCWAB-JTQLQIEISA-N -1 1 291.311 1.234 20 0 CDADMM c1[nH]nc(NCc2csc(C3CC3)n2)c1-c1nnn[n-]1 ZINC000826526754 607966162 /nfs/dbraw/zinc/96/61/62/607966162.db2.gz LJLIBWNLNQFOTJ-UHFFFAOYSA-N -1 1 288.340 1.536 20 0 CDADMM c1[nH]nc(NCc2csc(C3CC3)n2)c1-c1nn[n-]n1 ZINC000826526754 607966163 /nfs/dbraw/zinc/96/61/63/607966163.db2.gz LJLIBWNLNQFOTJ-UHFFFAOYSA-N -1 1 288.340 1.536 20 0 CDADMM Fc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826375607 608388872 /nfs/dbraw/zinc/38/88/72/608388872.db2.gz UQRGXFPDHRCIQY-UHFFFAOYSA-N -1 1 257.232 1.539 20 0 CDADMM Fc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826375607 608388873 /nfs/dbraw/zinc/38/88/73/608388873.db2.gz UQRGXFPDHRCIQY-UHFFFAOYSA-N -1 1 257.232 1.539 20 0 CDADMM Fc1ccc(Oc2ccc(-c3nnn[n-]3)nn2)cc1F ZINC000826376310 608390749 /nfs/dbraw/zinc/39/07/49/608390749.db2.gz XKQZMEZAALPDSD-UHFFFAOYSA-N -1 1 276.206 1.727 20 0 CDADMM Fc1ccc(Oc2ccc(-c3nn[n-]n3)nn2)cc1F ZINC000826376310 608390752 /nfs/dbraw/zinc/39/07/52/608390752.db2.gz XKQZMEZAALPDSD-UHFFFAOYSA-N -1 1 276.206 1.727 20 0 CDADMM CCOc1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000825649014 608399905 /nfs/dbraw/zinc/39/99/05/608399905.db2.gz JHNFOOUIWHEBOR-UHFFFAOYSA-N -1 1 297.322 1.668 20 0 CDADMM CCOc1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000825649014 608399906 /nfs/dbraw/zinc/39/99/06/608399906.db2.gz JHNFOOUIWHEBOR-UHFFFAOYSA-N -1 1 297.322 1.668 20 0 CDADMM C(=Cc1ccccc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000823861977 608417312 /nfs/dbraw/zinc/41/73/12/608417312.db2.gz VYPAWJZCZLTKAR-QPJJXVBHSA-N -1 1 279.307 1.782 20 0 CDADMM C(=Cc1ccccc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000823861977 608417314 /nfs/dbraw/zinc/41/73/14/608417314.db2.gz VYPAWJZCZLTKAR-QPJJXVBHSA-N -1 1 279.307 1.782 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NCC1CCSCC1 ZINC000826514926 608418773 /nfs/dbraw/zinc/41/87/73/608418773.db2.gz HSKCENDKQGXJMP-UHFFFAOYSA-N -1 1 277.357 1.212 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NCC1CCSCC1 ZINC000826514926 608418774 /nfs/dbraw/zinc/41/87/74/608418774.db2.gz HSKCENDKQGXJMP-UHFFFAOYSA-N -1 1 277.357 1.212 20 0 CDADMM CC[C@@H]1C[C@H](C)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC000825181732 608427600 /nfs/dbraw/zinc/42/76/00/608427600.db2.gz FYGBRBDYSISDNX-DTWKUNHWSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@@H]1C[C@H](C)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC000825181732 608427602 /nfs/dbraw/zinc/42/76/02/608427602.db2.gz FYGBRBDYSISDNX-DTWKUNHWSA-N -1 1 259.317 1.282 20 0 CDADMM CC1(C)C(Nc2ccc(-c3nnn[n-]3)nn2)C1(C)C ZINC000824788578 608428285 /nfs/dbraw/zinc/42/82/85/608428285.db2.gz BDPMJRVMLZKKRY-UHFFFAOYSA-N -1 1 259.317 1.503 20 0 CDADMM CC1(C)C(Nc2ccc(-c3nn[n-]n3)nn2)C1(C)C ZINC000824788578 608428287 /nfs/dbraw/zinc/42/82/87/608428287.db2.gz BDPMJRVMLZKKRY-UHFFFAOYSA-N -1 1 259.317 1.503 20 0 CDADMM Cc1cc(Oc2ccc(-c3nnn[n-]3)nn2)ccc1F ZINC000826271766 608434689 /nfs/dbraw/zinc/43/46/89/608434689.db2.gz GLEODBWZAUVYJF-UHFFFAOYSA-N -1 1 272.243 1.897 20 0 CDADMM Cc1cc(Oc2ccc(-c3nn[n-]n3)nn2)ccc1F ZINC000826271766 608434691 /nfs/dbraw/zinc/43/46/91/608434691.db2.gz GLEODBWZAUVYJF-UHFFFAOYSA-N -1 1 272.243 1.897 20 0 CDADMM O=C1CCCCN1COc1cccc(F)c1-c1nnn[n-]1 ZINC000826480288 608471226 /nfs/dbraw/zinc/47/12/26/608471226.db2.gz WWFSUHYPTCMUKS-UHFFFAOYSA-N -1 1 291.286 1.355 20 0 CDADMM O=C1CCCCN1COc1cccc(F)c1-c1nn[n-]n1 ZINC000826480288 608471227 /nfs/dbraw/zinc/47/12/27/608471227.db2.gz WWFSUHYPTCMUKS-UHFFFAOYSA-N -1 1 291.286 1.355 20 0 CDADMM CSc1ccccc1Cn1cnc(-c2nn[n-]n2)n1 ZINC000826231654 609304817 /nfs/dbraw/zinc/30/48/17/609304817.db2.gz UJRYPLAZXFBWGN-UHFFFAOYSA-N -1 1 273.325 1.228 20 0 CDADMM C[C@@H]1CCC[C@@H](Cn2cccc(-c3nn[n-]n3)c2=O)C1 ZINC000824925097 609377383 /nfs/dbraw/zinc/37/73/83/609377383.db2.gz AQDXMUOLUUSUCA-GHMZBOCLSA-N -1 1 273.340 1.855 20 0 CDADMM COC[C@@H](O)CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000890864247 617343311 /nfs/dbraw/zinc/34/33/11/617343311.db2.gz XWHZSFDBAYRIMI-QMMMGPOBSA-N -1 1 293.241 1.148 20 0 CDADMM CC(=O)N1CCC[C@H](C)[C@H]1CNC(=O)c1ncccc1[O-] ZINC000945688512 613864819 /nfs/dbraw/zinc/86/48/19/613864819.db2.gz WSZHICXOPIVKKA-CMPLNLGQSA-N -1 1 291.351 1.164 20 0 CDADMM COCc1nc(N[C@H](C)c2cccnc2)cc(=O)[n-]1 ZINC000891561995 617478928 /nfs/dbraw/zinc/47/89/28/617478928.db2.gz PDPVVYFQCCMPNI-SECBINFHSA-N -1 1 260.297 1.897 20 0 CDADMM CCC(=O)N1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000964378535 614537529 /nfs/dbraw/zinc/53/75/29/614537529.db2.gz LJQUOTVCEYQGTJ-LLVKDONJSA-N -1 1 291.351 1.308 20 0 CDADMM CN([N-]C(=O)c1cc(Cl)ncc1Cl)C(N)=O ZINC000157140158 617512420 /nfs/dbraw/zinc/51/24/20/617512420.db2.gz BSHISTIETLUBQO-UHFFFAOYSA-N -1 1 263.084 1.044 20 0 CDADMM COC(=O)c1ccc(C(=O)O[C@H]2CCC(C)(C)C2=O)[n-]1 ZINC000840577309 617582716 /nfs/dbraw/zinc/58/27/16/617582716.db2.gz MJSZXQYRZIFFAD-JTQLQIEISA-N -1 1 279.292 1.716 20 0 CDADMM Cc1nc2cccc(C(=O)NC3(C(=O)[O-])CCC3)c2[nH]1 ZINC000909336377 617741670 /nfs/dbraw/zinc/74/16/70/617741670.db2.gz SYXMBPJGMKGROM-UHFFFAOYSA-N -1 1 273.292 1.608 20 0 CDADMM CN(C(=O)c1ccc([C@H]2CCCOC2)cc1)c1nn[n-]n1 ZINC000892954605 617974503 /nfs/dbraw/zinc/97/45/03/617974503.db2.gz NHQDBJJWAHSPHK-LBPRGKRZSA-N -1 1 287.323 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KNMLYKJHONDFLW-UHFFFAOYSA-N -1 1 286.339 1.177 20 0 CDADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC[C@@H]1C ZINC000914160855 631078228 /nfs/dbraw/zinc/07/82/28/631078228.db2.gz LSCKBSOUKVBOEP-JTQLQIEISA-N -1 1 298.346 1.716 20 0 CDADMM Cc1cccc(NC(=O)CN[C@@H](C(=O)[O-])C(C)C)c1C ZINC000035391400 632068220 /nfs/dbraw/zinc/06/82/20/632068220.db2.gz FXBJFJNDAURLKW-CQSZACIVSA-N -1 1 278.352 1.941 20 0 CDADMM CC(C)(C)OC(=O)N1CC[C@H]1C[N-]C(=O)C(F)(F)F ZINC000921657915 633131627 /nfs/dbraw/zinc/13/16/27/633131627.db2.gz FVQXKAYCGHGQJJ-ZETCQYMHSA-N -1 1 282.262 1.674 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2cc3nc[nH]c3cn2)[n-]1 ZINC001170224191 1162314796 /nfs/dbraw/zinc/31/47/96/1162314796.db2.gz UGLFFQHYNGEBQH-UHFFFAOYSA-N -1 1 268.240 1.073 20 0 CDADMM CCC[C@H](N[C@@H](C)C(=O)NC(CC)CC)C(=O)[O-] ZINC000036840060 1159470815 /nfs/dbraw/zinc/47/08/15/1159470815.db2.gz CVWLTYCFNJFXTR-ONGXEEELSA-N -1 1 258.362 1.523 20 0 CDADMM O=C(NCCNC/C(Cl)=C/Cl)c1ncccc1[O-] ZINC001126125422 1159674047 /nfs/dbraw/zinc/67/40/47/1159674047.db2.gz WYMURMGSMKHAQH-VURMDHGXSA-N -1 1 290.150 1.426 20 0 CDADMM CCC[C@@H](C)[C@H](CO)Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001604135649 1163102176 /nfs/dbraw/zinc/10/21/76/1163102176.db2.gz ZPFUNBDVFNCBHJ-KCJUWKMLSA-N -1 1 291.359 1.174 20 0 CDADMM CCC[C@@H](C)[C@H](CO)Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001604135649 1163102180 /nfs/dbraw/zinc/10/21/80/1163102180.db2.gz ZPFUNBDVFNCBHJ-KCJUWKMLSA-N -1 1 291.359 1.174 20 0 CDADMM C[C@H](CN(Cc1nccn1CC(F)F)C1CC1)C(=O)[O-] ZINC001604165543 1163114160 /nfs/dbraw/zinc/11/41/60/1163114160.db2.gz ISADMWHBHWPRDE-SECBINFHSA-N -1 1 287.310 1.833 20 0 CDADMM CCCCN(CCOC)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001604182599 1163117203 /nfs/dbraw/zinc/11/72/03/1163117203.db2.gz JINZKBRADSPEGO-UHFFFAOYSA-N -1 1 293.327 1.348 20 0 CDADMM CCCCN(CCOC)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001604182599 1163117208 /nfs/dbraw/zinc/11/72/08/1163117208.db2.gz JINZKBRADSPEGO-UHFFFAOYSA-N -1 1 293.327 1.348 20 0 CDADMM CCN(CC(C)C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604274748 1163139149 /nfs/dbraw/zinc/13/91/49/1163139149.db2.gz STCHXRZCEZXNEJ-UHFFFAOYSA-N -1 1 263.301 1.578 20 0 CDADMM CCN(CC(C)C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001604274748 1163139153 /nfs/dbraw/zinc/13/91/53/1163139153.db2.gz STCHXRZCEZXNEJ-UHFFFAOYSA-N -1 1 263.301 1.578 20 0 CDADMM CCN(CC(C)(C)C)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001604274444 1163139748 /nfs/dbraw/zinc/13/97/48/1163139748.db2.gz ODJXHNCRBPILIJ-UHFFFAOYSA-N -1 1 288.355 1.770 20 0 CDADMM CCN(CC(C)(C)C)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001604274444 1163139752 /nfs/dbraw/zinc/13/97/52/1163139752.db2.gz ODJXHNCRBPILIJ-UHFFFAOYSA-N -1 1 288.355 1.770 20 0 CDADMM CC[C@H](F)CN1CC[C@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001085562856 1161945945 /nfs/dbraw/zinc/94/59/45/1161945945.db2.gz XTAGVORTOABWSL-RYUDHWBXSA-N -1 1 295.358 1.682 20 0 CDADMM CCOCCC1(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001604427356 1163184195 /nfs/dbraw/zinc/18/41/95/1163184195.db2.gz RQGSRANSADCKBI-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM CCOCCC1(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001604427356 1163184199 /nfs/dbraw/zinc/18/41/99/1163184199.db2.gz RQGSRANSADCKBI-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM CC[C@@H]1CC[C@H](C)N(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001604488293 1163204995 /nfs/dbraw/zinc/20/49/95/1163204995.db2.gz VZGBLKNBPXZLEN-WDEREUQCSA-N -1 1 287.371 1.980 20 0 CDADMM CC[C@@H]1CC[C@H](C)N(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001604488293 1163205002 /nfs/dbraw/zinc/20/50/02/1163205002.db2.gz VZGBLKNBPXZLEN-WDEREUQCSA-N -1 1 287.371 1.980 20 0 CDADMM Cc1[nH]n(C[C@@H]2CCCC2(F)F)c(=O)c1CC(=O)[O-] ZINC001604616069 1163251297 /nfs/dbraw/zinc/25/12/97/1163251297.db2.gz GYGAAORIEIDBHA-IUCAKERBSA-N -1 1 274.267 1.731 20 0 CDADMM CN(Cc1ncc[nH]1)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001604824414 1163340972 /nfs/dbraw/zinc/34/09/72/1163340972.db2.gz WRXBEGITPPJMHY-UHFFFAOYSA-N -1 1 296.747 1.336 20 0 CDADMM CN(Cc1ncc[nH]1)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001604824414 1163340980 /nfs/dbraw/zinc/34/09/80/1163340980.db2.gz WRXBEGITPPJMHY-UHFFFAOYSA-N -1 1 296.747 1.336 20 0 CDADMM CC[C@@H](C)CCNC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001604956867 1163397399 /nfs/dbraw/zinc/39/73/99/1163397399.db2.gz QJGBCSOKQJDDIR-CHWSQXEVSA-N -1 1 299.415 1.613 20 0 CDADMM CCC(CC)[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001605014073 1163417356 /nfs/dbraw/zinc/41/73/56/1163417356.db2.gz JJPUQCCFYPJOIN-CABZTGNLSA-N -1 1 281.356 1.594 20 0 CDADMM COC[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001605073327 1163441282 /nfs/dbraw/zinc/44/12/82/1163441282.db2.gz YQZCTYCUEZIQPW-SECBINFHSA-N -1 1 291.311 1.101 20 0 CDADMM COC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001605073327 1163441288 /nfs/dbraw/zinc/44/12/88/1163441288.db2.gz YQZCTYCUEZIQPW-SECBINFHSA-N -1 1 291.311 1.101 20 0 CDADMM CON(C(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCCC1 ZINC001605139376 1163463620 /nfs/dbraw/zinc/46/36/20/1163463620.db2.gz DEWOWCUCNHNQKU-UHFFFAOYSA-N -1 1 288.311 1.208 20 0 CDADMM CON(C(=O)c1ccc(-c2nn[n-]n2)nc1)C1CCCC1 ZINC001605139376 1163463624 /nfs/dbraw/zinc/46/36/24/1163463624.db2.gz DEWOWCUCNHNQKU-UHFFFAOYSA-N -1 1 288.311 1.208 20 0 CDADMM CO[C@H]1C[C@@H](OC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC001605153332 1163471341 /nfs/dbraw/zinc/47/13/41/1163471341.db2.gz FLCUNNLHMRMGRB-KNVOCYPGSA-N -1 1 280.309 1.262 20 0 CDADMM COc1ccc(C=O)cc1Oc1cnc(-c2nnn[n-]2)cn1 ZINC001605270659 1163509208 /nfs/dbraw/zinc/50/92/08/1163509208.db2.gz ZHCCEQPHCRQCOR-UHFFFAOYSA-N -1 1 298.262 1.270 20 0 CDADMM COc1ccc(C=O)cc1Oc1cnc(-c2nn[n-]n2)cn1 ZINC001605270659 1163509217 /nfs/dbraw/zinc/50/92/17/1163509217.db2.gz ZHCCEQPHCRQCOR-UHFFFAOYSA-N -1 1 298.262 1.270 20 0 CDADMM COc1ccc2c(c1)C[C@H](Cn1ccnc1-c1nnn[n-]1)O2 ZINC001605308095 1163520991 /nfs/dbraw/zinc/52/09/91/1163520991.db2.gz KRKQOWGLDBGIIS-LLVKDONJSA-N -1 1 298.306 1.076 20 0 CDADMM COc1ccc2c(c1)C[C@H](Cn1ccnc1-c1nn[n-]n1)O2 ZINC001605308095 1163520996 /nfs/dbraw/zinc/52/09/96/1163520996.db2.gz KRKQOWGLDBGIIS-LLVKDONJSA-N -1 1 298.306 1.076 20 0 CDADMM COc1ccccc1Cn1ccc(C)c(-c2nn[n-]n2)c1=O ZINC001605332960 1163527413 /nfs/dbraw/zinc/52/74/13/1163527413.db2.gz GCZKASMJLCAICZ-UHFFFAOYSA-N -1 1 297.318 1.394 20 0 CDADMM CCN(C)[C@@H](C(=O)N[C@H](CF)C(=O)[O-])c1ccccc1 ZINC001605407191 1163551750 /nfs/dbraw/zinc/55/17/50/1163551750.db2.gz HPPUFODUHKCLLJ-VXGBXAGGSA-N -1 1 282.315 1.218 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](C(C)(C)O)C2)c1 ZINC001605560014 1163609088 /nfs/dbraw/zinc/60/90/88/1163609088.db2.gz MQHPNYFNPHHCAK-JTQLQIEISA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](C(C)(C)O)C2)c1 ZINC001605560014 1163609092 /nfs/dbraw/zinc/60/90/92/1163609092.db2.gz MQHPNYFNPHHCAK-JTQLQIEISA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C)[C@@](C)(CO)C2)c1 ZINC001605558292 1163610033 /nfs/dbraw/zinc/61/00/33/1163610033.db2.gz RTGUNBLSAWZRGX-IINYFYTJSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](C)[C@@](C)(CO)C2)c1 ZINC001605558292 1163610036 /nfs/dbraw/zinc/61/00/36/1163610036.db2.gz RTGUNBLSAWZRGX-IINYFYTJSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H]2C2CCC2)n1 ZINC001605560881 1163611116 /nfs/dbraw/zinc/61/11/16/1163611116.db2.gz KNFCJGIBGIWWNR-LBPRGKRZSA-N -1 1 285.355 1.734 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H]2C2CCC2)n1 ZINC001605560881 1163611119 /nfs/dbraw/zinc/61/11/19/1163611119.db2.gz KNFCJGIBGIWWNR-LBPRGKRZSA-N -1 1 285.355 1.734 20 0 CDADMM Cc1ccc(N[C@H]2CO[C@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001605872612 1163700466 /nfs/dbraw/zinc/70/04/66/1163700466.db2.gz ZCRVQDRNSRXGJM-RKDXNWHRSA-N -1 1 260.301 1.159 20 0 CDADMM Cc1ccc(N[C@H]2CO[C@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001605872612 1163700470 /nfs/dbraw/zinc/70/04/70/1163700470.db2.gz ZCRVQDRNSRXGJM-RKDXNWHRSA-N -1 1 260.301 1.159 20 0 CDADMM Cc1ccccc1[C@@H]1C[C@H]1Nc1ncncc1-c1nn[n-]n1 ZINC001605943481 1163720880 /nfs/dbraw/zinc/72/08/80/1163720880.db2.gz COTTZLSEDUZGAQ-WCQYABFASA-N -1 1 293.334 1.933 20 0 CDADMM Cc1ccn(CC[C@@H]2CCCCO2)c(=O)c1-c1nn[n-]n1 ZINC001605948724 1163723441 /nfs/dbraw/zinc/72/34/41/1163723441.db2.gz DWBRFMRFSVEFDQ-NSHDSACASA-N -1 1 289.339 1.296 20 0 CDADMM Cc1ccncc1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001605960009 1163729773 /nfs/dbraw/zinc/72/97/73/1163729773.db2.gz GSJKISPVKZZHPL-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1ccncc1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001605960009 1163729776 /nfs/dbraw/zinc/72/97/76/1163729776.db2.gz GSJKISPVKZZHPL-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM CN(C)Cc1ccc(C(=O)NC2CC(CC(=O)[O-])C2)cn1 ZINC001606033465 1163753135 /nfs/dbraw/zinc/75/31/35/1163753135.db2.gz COQXJAWHZJMMDT-UHFFFAOYSA-N -1 1 291.351 1.126 20 0 CDADMM CN(C)c1cccc(CN2CCC[C@H](O)[C@@H]2C(=O)[O-])c1 ZINC001606060002 1163758642 /nfs/dbraw/zinc/75/86/42/1163758642.db2.gz SHGUVVPSTSCSLR-UONOGXRCSA-N -1 1 278.352 1.163 20 0 CDADMM Cc1nc(CNc2cc(-c3nnn[n-]3)nc(C)n2)oc1C ZINC001606075785 1163762789 /nfs/dbraw/zinc/76/27/89/1163762789.db2.gz BDDZNAGSSGLSFA-UHFFFAOYSA-N -1 1 286.299 1.182 20 0 CDADMM Cc1nc(CNc2cc(-c3nn[n-]n3)nc(C)n2)oc1C ZINC001606075785 1163762794 /nfs/dbraw/zinc/76/27/94/1163762794.db2.gz BDDZNAGSSGLSFA-UHFFFAOYSA-N -1 1 286.299 1.182 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC[C@@H](C)F ZINC001606167223 1163794205 /nfs/dbraw/zinc/79/42/05/1163794205.db2.gz JKXVUAOQAMSKHC-ZCFIWIBFSA-N -1 1 267.264 1.246 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC[C@@H](C)F ZINC001606167223 1163794210 /nfs/dbraw/zinc/79/42/10/1163794210.db2.gz JKXVUAOQAMSKHC-ZCFIWIBFSA-N -1 1 267.264 1.246 20 0 CDADMM Clc1cscc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001606198250 1163803780 /nfs/dbraw/zinc/80/37/80/1163803780.db2.gz GISIRSPCYVXXIU-UHFFFAOYSA-N -1 1 293.743 1.984 20 0 CDADMM Clc1cscc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001606198250 1163803784 /nfs/dbraw/zinc/80/37/84/1163803784.db2.gz GISIRSPCYVXXIU-UHFFFAOYSA-N -1 1 293.743 1.984 20 0 CDADMM Clc1ncc(CNc2cccc(-c3nnn[n-]3)n2)s1 ZINC001606200226 1163805475 /nfs/dbraw/zinc/80/54/75/1163805475.db2.gz ZSGWOYLVCTWTBC-UHFFFAOYSA-N -1 1 293.743 1.984 20 0 CDADMM Clc1ncc(CNc2cccc(-c3nn[n-]n3)n2)s1 ZINC001606200226 1163805483 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ZINC001641246183 1167090588 /nfs/dbraw/zinc/09/05/88/1167090588.db2.gz LDKMSAGHYRTUPI-UHFFFAOYSA-N -1 1 295.262 1.187 20 0 CDADMM O=C(Cc1cc2ccccc2o1)NCc1nc([O-])cc(=O)[nH]1 ZINC001641493843 1167112297 /nfs/dbraw/zinc/11/22/97/1167112297.db2.gz ZPLIBJVDAYPTMN-UHFFFAOYSA-N -1 1 299.286 1.493 20 0 CDADMM CC(=O)N1Cc2ccc(NC(=O)c3cncc([O-])c3)cc2C1 ZINC001645595017 1167432756 /nfs/dbraw/zinc/43/27/56/1167432756.db2.gz YEWSHLDWSNVNMN-UHFFFAOYSA-N -1 1 297.314 1.902 20 0 CDADMM CN(C(=O)c1ccc(OC(C)(C)C)cn1)c1nn[n-]n1 ZINC001646203515 1167693909 /nfs/dbraw/zinc/69/39/09/1167693909.db2.gz LPBQFETVSUIDCQ-UHFFFAOYSA-N -1 1 276.300 1.049 20 0 CDADMM Cc1ccccc1[C@H](N)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001647327552 1168563680 /nfs/dbraw/zinc/56/36/80/1168563680.db2.gz NMRHHJHOGRJPII-XBFCOCLRSA-N -1 1 290.363 1.564 20 0 CDADMM O=C([O-])[C@@H](O)CNCc1cscc1Br ZINC001647415671 1168666513 /nfs/dbraw/zinc/66/65/13/1168666513.db2.gz GGSHGCVTBDJZHZ-ZETCQYMHSA-N -1 1 280.143 1.046 20 0 CDADMM CC(C)C1(C(=O)OCC(=O)c2ccc([O-])cc2O)COC1 ZINC001647433452 1168685865 /nfs/dbraw/zinc/68/58/65/1168685865.db2.gz GRUCYPKJSFCAAD-UHFFFAOYSA-N -1 1 294.303 1.496 20 0 CDADMM CCn1c(Cc2nnn[n-]2)nnc1N1CCC[C@@H](C)CC1 ZINC001647700395 1169029218 /nfs/dbraw/zinc/02/92/18/1169029218.db2.gz KXMOSRLRHXYKTP-SNVBAGLBSA-N -1 1 290.375 1.028 20 0 CDADMM CCn1c(Cc2nn[n-]n2)nnc1N1CCC[C@@H](C)CC1 ZINC001647700395 1169029228 /nfs/dbraw/zinc/02/92/28/1169029228.db2.gz KXMOSRLRHXYKTP-SNVBAGLBSA-N -1 1 290.375 1.028 20 0 CDADMM C[C@H](CCCC(C)(C)C(=O)[O-])N[C@H](C)c1nnnn1C ZINC001573543730 1170687351 /nfs/dbraw/zinc/68/73/51/1170687351.db2.gz VFDZSVNWYHILMA-NXEZZACHSA-N -1 1 283.376 1.530 20 0 CDADMM Cc1ccc(CN[C@@H]2CN(C(=O)[O-])C[C@H]2CO)c(Cl)c1 ZINC001574154909 1170898984 /nfs/dbraw/zinc/89/89/84/1170898984.db2.gz WJZJDTRFDHUQFG-WCQYABFASA-N -1 1 298.770 1.709 20 0 CDADMM CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2c[n-][nH]c2=O)n1C ZINC001650279166 1170915272 /nfs/dbraw/zinc/91/52/72/1170915272.db2.gz PJFALCXRMGZSCC-WCBMZHEXSA-N -1 1 276.344 1.536 20 0 CDADMM O=C([O-])[C@@H]1C2CCC(CC2)N1C(=O)c1cccc(F)c1O ZINC001574385334 1170966916 /nfs/dbraw/zinc/96/69/16/1170966916.db2.gz ZKTZTKCHNXCMCP-KWPJZBAWSA-N -1 1 293.294 1.999 20 0 CDADMM O=C([O-])c1cnn2cc(CN3C[C@H]4CCCC[C@H]43)cnc12 ZINC001574422598 1170978757 /nfs/dbraw/zinc/97/87/57/1170978757.db2.gz HSVAKQYQGPUHSF-DGCLKSJQSA-N -1 1 286.335 1.802 20 0 CDADMM Cc1cccc(CSCC(=O)OCc2nn[n-]n2)c1 ZINC001650484935 1171117375 /nfs/dbraw/zinc/11/73/75/1171117375.db2.gz ZKBWUDAOVUMNLS-UHFFFAOYSA-N -1 1 278.337 1.485 20 0 CDADMM Cc1oncc1CNC(=O)c1cccc([O-])c1F ZINC001652755576 1171472888 /nfs/dbraw/zinc/47/28/88/1171472888.db2.gz OWVFTLUUVFPIOR-UHFFFAOYSA-N -1 1 250.229 1.758 20 0 CDADMM COc1ccc(CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001580031399 1172327627 /nfs/dbraw/zinc/32/76/27/1172327627.db2.gz WBCDPBWPCMQOKF-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM COc1ccc(CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001580031399 1172327634 /nfs/dbraw/zinc/32/76/34/1172327634.db2.gz WBCDPBWPCMQOKF-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM Nc1ccc(C(=O)Nc2cc([O-])c(F)cc2F)cn1 ZINC001580443000 1172437868 /nfs/dbraw/zinc/43/78/68/1172437868.db2.gz OGQUYTUDGIBJLE-UHFFFAOYSA-N -1 1 265.219 1.900 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCc2cccnc21 ZINC001582701659 1172688625 /nfs/dbraw/zinc/68/86/25/1172688625.db2.gz UGTDZBMGVKVDRB-UHFFFAOYSA-N -1 1 298.331 1.526 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCc2cccnc21 ZINC001582701659 1172688630 /nfs/dbraw/zinc/68/86/30/1172688630.db2.gz UGTDZBMGVKVDRB-UHFFFAOYSA-N -1 1 298.331 1.526 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1C[C@H]2CCCC[C@H]21 ZINC001582700921 1172689471 /nfs/dbraw/zinc/68/94/71/1172689471.db2.gz FAXMOIPJHZPXNC-ZYHUDNBSSA-N -1 1 284.323 1.276 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1C[C@H]2CCCC[C@H]21 ZINC001582700921 1172689473 /nfs/dbraw/zinc/68/94/73/1172689473.db2.gz FAXMOIPJHZPXNC-ZYHUDNBSSA-N -1 1 284.323 1.276 20 0 CDADMM C(=C/C1CC1)\CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001588380107 1173053953 /nfs/dbraw/zinc/05/39/53/1173053953.db2.gz UCRGWBKDHRNUCG-OWOJBTEDSA-N -1 1 283.339 1.912 20 0 CDADMM C(=C/C1CC1)\CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001588380107 1173053964 /nfs/dbraw/zinc/05/39/64/1173053964.db2.gz UCRGWBKDHRNUCG-OWOJBTEDSA-N -1 1 283.339 1.912 20 0 CDADMM Cc1cccc2nc(C(=O)[N-]NC(=O)c3ccccn3)cn21 ZINC000021001173 1173054703 /nfs/dbraw/zinc/05/47/03/1173054703.db2.gz SVVHHNSESOWTOF-UHFFFAOYSA-N -1 1 295.302 1.113 20 0 CDADMM c1cn2ncc(-c3nn[n-]n3)c2n1C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001588387055 1173059195 /nfs/dbraw/zinc/05/91/95/1173059195.db2.gz RTNRKZGTTDVBCK-AXFHLTTASA-N -1 1 281.323 1.528 20 0 CDADMM CC(=O)Nc1ccc(CNc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC001588876394 1173110261 /nfs/dbraw/zinc/11/02/61/1173110261.db2.gz VGLQNSMPOJVLJV-UHFFFAOYSA-N -1 1 298.310 1.160 20 0 CDADMM CC(=O)Nc1ccc(CNc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC001588876394 1173110264 /nfs/dbraw/zinc/11/02/64/1173110264.db2.gz VGLQNSMPOJVLJV-UHFFFAOYSA-N -1 1 298.310 1.160 20 0 CDADMM CC(C)(CNc1ccnc(-c2nnn[n-]2)c1)OCC1CC1 ZINC001589292379 1173133473 /nfs/dbraw/zinc/13/34/73/1173133473.db2.gz AQUXJHLHUNCINI-UHFFFAOYSA-N -1 1 288.355 1.301 20 0 CDADMM CC(C)(CNc1ccnc(-c2nn[n-]n2)c1)OCC1CC1 ZINC001589292379 1173133478 /nfs/dbraw/zinc/13/34/78/1173133478.db2.gz AQUXJHLHUNCINI-UHFFFAOYSA-N -1 1 288.355 1.301 20 0 CDADMM CC(C)(CNC(=O)c1coc(-c2nnn[n-]2)c1)CC(F)F ZINC001589286698 1173134875 /nfs/dbraw/zinc/13/48/75/1173134875.db2.gz OMRBSOGDNAINIC-UHFFFAOYSA-N -1 1 299.281 1.871 20 0 CDADMM CC(C)(CNC(=O)c1coc(-c2nn[n-]n2)c1)CC(F)F ZINC001589286698 1173134888 /nfs/dbraw/zinc/13/48/88/1173134888.db2.gz OMRBSOGDNAINIC-UHFFFAOYSA-N -1 1 299.281 1.871 20 0 CDADMM CC(C)=CCNC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001589379607 1173141194 /nfs/dbraw/zinc/14/11/94/1173141194.db2.gz UNIFWZZUPRQNJK-UHFFFAOYSA-N -1 1 293.356 1.719 20 0 CDADMM CC(C)=CCNC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001589379607 1173141197 /nfs/dbraw/zinc/14/11/97/1173141197.db2.gz UNIFWZZUPRQNJK-UHFFFAOYSA-N -1 1 293.356 1.719 20 0 CDADMM CC(C)[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001589475501 1173146029 /nfs/dbraw/zinc/14/60/29/1173146029.db2.gz ISCVLKRNHZEUNF-NSHDSACASA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001589475501 1173146036 /nfs/dbraw/zinc/14/60/36/1173146036.db2.gz ISCVLKRNHZEUNF-NSHDSACASA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)C1CC1 ZINC001589475788 1173146718 /nfs/dbraw/zinc/14/67/18/1173146718.db2.gz KLAVIINHUYZHFX-LLVKDONJSA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)C1CC1 ZINC001589475788 1173146724 /nfs/dbraw/zinc/14/67/24/1173146724.db2.gz KLAVIINHUYZHFX-LLVKDONJSA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)[C@H]1C[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001589502690 1173151456 /nfs/dbraw/zinc/15/14/56/1173151456.db2.gz PWBZBIMWZSDVAW-GHMZBOCLSA-N -1 1 287.323 1.597 20 0 CDADMM CC(C)[C@H]1C[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001589502690 1173151461 /nfs/dbraw/zinc/15/14/61/1173151461.db2.gz PWBZBIMWZSDVAW-GHMZBOCLSA-N -1 1 287.323 1.597 20 0 CDADMM CC(C)[C@@H]1[C@@H](C(C)C)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001589520651 1173153131 /nfs/dbraw/zinc/15/31/31/1173153131.db2.gz XCIGEGCIDZWMPR-ZWNOBZJWSA-N -1 1 287.371 1.774 20 0 CDADMM CC(C)[C@@H]1[C@@H](C(C)C)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001589520651 1173153133 /nfs/dbraw/zinc/15/31/33/1173153133.db2.gz XCIGEGCIDZWMPR-ZWNOBZJWSA-N -1 1 287.371 1.774 20 0 CDADMM CC(C)[C@H]1CCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589509111 1173154030 /nfs/dbraw/zinc/15/40/30/1173154030.db2.gz APULZFULVAXOBD-SNVBAGLBSA-N -1 1 287.327 1.524 20 0 CDADMM CC(C)[C@H]1CCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589509111 1173154034 /nfs/dbraw/zinc/15/40/34/1173154034.db2.gz APULZFULVAXOBD-SNVBAGLBSA-N -1 1 287.327 1.524 20 0 CDADMM CC(C)[C@@H]1CCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001589509715 1173154069 /nfs/dbraw/zinc/15/40/69/1173154069.db2.gz UAZGZYQNCCIBCE-SNVBAGLBSA-N -1 1 258.329 1.744 20 0 CDADMM CC(C)[C@@H]1CCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001589509715 1173154072 /nfs/dbraw/zinc/15/40/72/1173154072.db2.gz UAZGZYQNCCIBCE-SNVBAGLBSA-N -1 1 258.329 1.744 20 0 CDADMM C[C@H](Cc1ccncc1)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001589902990 1173200132 /nfs/dbraw/zinc/20/01/32/1173200132.db2.gz XCJPUWHPIDUTAO-SECBINFHSA-N -1 1 282.311 1.095 20 0 CDADMM C[C@H](Cc1ccncc1)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001589902990 1173200137 /nfs/dbraw/zinc/20/01/37/1173200137.db2.gz XCJPUWHPIDUTAO-SECBINFHSA-N -1 1 282.311 1.095 20 0 CDADMM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1nccn1C ZINC001589969363 1173215405 /nfs/dbraw/zinc/21/54/05/1173215405.db2.gz DAESIIZYAJNBOM-MRVPVSSYSA-N -1 1 273.300 1.044 20 0 CDADMM C[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1nccn1C ZINC001589969363 1173215407 /nfs/dbraw/zinc/21/54/07/1173215407.db2.gz DAESIIZYAJNBOM-MRVPVSSYSA-N -1 1 273.300 1.044 20 0 CDADMM C[C@H](c1cccc(O)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001590052536 1173241026 /nfs/dbraw/zinc/24/10/26/1173241026.db2.gz PFCDVKBOAJCEDH-SECBINFHSA-N -1 1 297.322 1.560 20 0 CDADMM C[C@H](c1cccc(O)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001590052536 1173241032 /nfs/dbraw/zinc/24/10/32/1173241032.db2.gz PFCDVKBOAJCEDH-SECBINFHSA-N -1 1 297.322 1.560 20 0 CDADMM CC1(C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)CCC1 ZINC001590060236 1173243326 /nfs/dbraw/zinc/24/33/26/1173243326.db2.gz ZKVVWMBUKDQRQA-UHFFFAOYSA-N -1 1 298.350 1.731 20 0 CDADMM CC1(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)CCC1 ZINC001590060236 1173243332 /nfs/dbraw/zinc/24/33/32/1173243332.db2.gz ZKVVWMBUKDQRQA-UHFFFAOYSA-N -1 1 298.350 1.731 20 0 CDADMM C[C@]1(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CC1(F)F ZINC001590070620 1173243460 /nfs/dbraw/zinc/24/34/60/1173243460.db2.gz FHKWSMZWPUWVEL-SNVBAGLBSA-N -1 1 280.238 1.246 20 0 CDADMM C[C@]1(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CC1(F)F ZINC001590070620 1173243465 /nfs/dbraw/zinc/24/34/65/1173243465.db2.gz FHKWSMZWPUWVEL-SNVBAGLBSA-N -1 1 280.238 1.246 20 0 CDADMM CC1(C)CC[C@@H](Cn2ccc(-c3nn[n-]n3)cc2=O)OC1 ZINC001590090381 1173252957 /nfs/dbraw/zinc/25/29/57/1173252957.db2.gz KSNPFOYAYYPNSH-NSHDSACASA-N -1 1 289.339 1.234 20 0 CDADMM CC1(C)CC[C@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590090643 1173254917 /nfs/dbraw/zinc/25/49/17/1173254917.db2.gz OQUXKUQASBUVJN-VIFPVBQESA-N -1 1 286.339 1.570 20 0 CDADMM CC1(C)CC[C@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590090643 1173254918 /nfs/dbraw/zinc/25/49/18/1173254918.db2.gz OQUXKUQASBUVJN-VIFPVBQESA-N -1 1 286.339 1.570 20 0 CDADMM CC1(C)CCC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590094360 1173255099 /nfs/dbraw/zinc/25/50/99/1173255099.db2.gz GDODVSDAZWJLRB-LLVKDONJSA-N -1 1 286.339 1.570 20 0 CDADMM CC1(C)CCC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590094360 1173255103 /nfs/dbraw/zinc/25/51/03/1173255103.db2.gz GDODVSDAZWJLRB-LLVKDONJSA-N -1 1 286.339 1.570 20 0 CDADMM CC1(C)CO[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590111706 1173260481 /nfs/dbraw/zinc/26/04/81/1173260481.db2.gz SSDYWWZIJKVFOU-SECBINFHSA-N -1 1 289.343 1.274 20 0 CDADMM CC1(C)CO[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590111706 1173260485 /nfs/dbraw/zinc/26/04/85/1173260485.db2.gz SSDYWWZIJKVFOU-SECBINFHSA-N -1 1 289.343 1.274 20 0 CDADMM CC1(NC(=O)c2coc(-c3nnn[n-]3)c2)CC=CC1 ZINC001590146014 1173273079 /nfs/dbraw/zinc/27/30/79/1173273079.db2.gz DAGWLBPDGXQJBS-UHFFFAOYSA-N -1 1 259.269 1.298 20 0 CDADMM CC1(NC(=O)c2coc(-c3nn[n-]n3)c2)CC=CC1 ZINC001590146014 1173273083 /nfs/dbraw/zinc/27/30/83/1173273083.db2.gz DAGWLBPDGXQJBS-UHFFFAOYSA-N -1 1 259.269 1.298 20 0 CDADMM C[C@@H]1[C@@H](C)CCCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590259193 1173324011 /nfs/dbraw/zinc/32/40/11/1173324011.db2.gz HHQXARUDOIHPRB-DTWKUNHWSA-N -1 1 275.312 1.720 20 0 CDADMM C[C@@H]1[C@@H](C)CCCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590259193 1173324020 /nfs/dbraw/zinc/32/40/20/1173324020.db2.gz HHQXARUDOIHPRB-DTWKUNHWSA-N -1 1 275.312 1.720 20 0 CDADMM C[C@@H]1CCCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590260944 1173325419 /nfs/dbraw/zinc/32/54/19/1173325419.db2.gz KVLIXPJIKKOCQU-SECBINFHSA-N -1 1 272.312 1.134 20 0 CDADMM C[C@@H]1CCCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590260944 1173325425 /nfs/dbraw/zinc/32/54/25/1173325425.db2.gz KVLIXPJIKKOCQU-SECBINFHSA-N -1 1 272.312 1.134 20 0 CDADMM C[C@@H]1[C@H](C)CN(c2cnc(-c3nnn[n-]3)cn2)[C@H]1C ZINC001590315706 1173350458 /nfs/dbraw/zinc/35/04/58/1173350458.db2.gz HXDFYMPBVONBHZ-HLTSFMKQSA-N -1 1 259.317 1.137 20 0 CDADMM C[C@@H]1[C@H](C)CN(c2cnc(-c3nn[n-]n3)cn2)[C@H]1C ZINC001590315706 1173350463 /nfs/dbraw/zinc/35/04/63/1173350463.db2.gz HXDFYMPBVONBHZ-HLTSFMKQSA-N -1 1 259.317 1.137 20 0 CDADMM C[C@@H]1CN(c2ccnc(-c3nnn[n-]3)c2)[C@H](C)[C@H](C)O1 ZINC001590314480 1173352827 /nfs/dbraw/zinc/35/28/27/1173352827.db2.gz ILRGHYVVDXXXNT-BBBLOLIVSA-N -1 1 274.328 1.264 20 0 CDADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)c2)[C@H](C)[C@H](C)O1 ZINC001590314480 1173352835 /nfs/dbraw/zinc/35/28/35/1173352835.db2.gz ILRGHYVVDXXXNT-BBBLOLIVSA-N -1 1 274.328 1.264 20 0 CDADMM C/C=C/C[C@@H](CO)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001590351461 1173366747 /nfs/dbraw/zinc/36/67/47/1173366747.db2.gz FTTIHGKHXGWTMS-SGJFDWMWSA-N -1 1 294.746 1.654 20 0 CDADMM C/C=C/C[C@@H](CO)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001590351461 1173366755 /nfs/dbraw/zinc/36/67/55/1173366755.db2.gz FTTIHGKHXGWTMS-SGJFDWMWSA-N -1 1 294.746 1.654 20 0 CDADMM CC=CC=CC(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001590353090 1173371808 /nfs/dbraw/zinc/37/18/08/1173371808.db2.gz NWXKZIQLWNFVDJ-IAROGAJJSA-N -1 1 285.311 1.538 20 0 CDADMM CCC(O)(CC)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001590473820 1173424023 /nfs/dbraw/zinc/42/40/23/1173424023.db2.gz VTAGGYKVHXMUQA-UHFFFAOYSA-N -1 1 277.332 1.010 20 0 CDADMM CCC(O)(CC)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001590473820 1173424028 /nfs/dbraw/zinc/42/40/28/1173424028.db2.gz VTAGGYKVHXMUQA-UHFFFAOYSA-N -1 1 277.332 1.010 20 0 CDADMM CC[C@@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC001590474828 1173429431 /nfs/dbraw/zinc/42/94/31/1173429431.db2.gz OLHKJIKEWKPHCP-MWLCHTKSSA-N -1 1 289.343 1.335 20 0 CDADMM CC[C@@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001590474828 1173429435 /nfs/dbraw/zinc/42/94/35/1173429435.db2.gz OLHKJIKEWKPHCP-MWLCHTKSSA-N -1 1 289.343 1.335 20 0 CDADMM CC[C@H]1CCCC[C@@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590510120 1173443253 /nfs/dbraw/zinc/44/32/53/1173443253.db2.gz FIHVKKXTWSRKEG-IUCAKERBSA-N -1 1 289.343 1.745 20 0 CDADMM CC[C@H]1CCCC[C@@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590510120 1173443257 /nfs/dbraw/zinc/44/32/57/1173443257.db2.gz FIHVKKXTWSRKEG-IUCAKERBSA-N -1 1 289.343 1.745 20 0 CDADMM CC[C@H]1CCN(Cn2ccc(C)c(-c3nnn[n-]3)c2=O)C1 ZINC001590515146 1173446355 /nfs/dbraw/zinc/44/63/55/1173446355.db2.gz XNYIRCRUOLKFJX-NSHDSACASA-N -1 1 288.355 1.026 20 0 CDADMM CCC[C@H](CC)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590554335 1173460648 /nfs/dbraw/zinc/46/06/48/1173460648.db2.gz WDTAZPQTMTVOQJ-VIFPVBQESA-N -1 1 274.328 1.570 20 0 CDADMM CCC[C@H](CC)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590554335 1173460652 /nfs/dbraw/zinc/46/06/52/1173460652.db2.gz WDTAZPQTMTVOQJ-VIFPVBQESA-N -1 1 274.328 1.570 20 0 CDADMM CCCc1cncc(Oc2ncncc2-c2nnn[n-]2)c1 ZINC001590659851 1173483402 /nfs/dbraw/zinc/48/34/02/1173483402.db2.gz ZMBQYNQLWCSEGV-UHFFFAOYSA-N -1 1 283.295 1.797 20 0 CDADMM CCCc1cncc(Oc2ncncc2-c2nn[n-]n2)c1 ZINC001590659851 1173483407 /nfs/dbraw/zinc/48/34/07/1173483407.db2.gz ZMBQYNQLWCSEGV-UHFFFAOYSA-N -1 1 283.295 1.797 20 0 CDADMM CCc1ccc(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)cc1 ZINC001590885818 1173535109 /nfs/dbraw/zinc/53/51/09/1173535109.db2.gz JAACJLIDIUDSDB-UHFFFAOYSA-N -1 1 297.322 1.713 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H]3CCC[C@@H]32)n1 ZINC001590907414 1173541523 /nfs/dbraw/zinc/54/15/23/1173541523.db2.gz IAQNAZWGSNLZFU-JQWIXIFHSA-N -1 1 299.382 1.988 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H]3CCC[C@@H]32)n1 ZINC001590907414 1173541527 /nfs/dbraw/zinc/54/15/27/1173541527.db2.gz IAQNAZWGSNLZFU-JQWIXIFHSA-N -1 1 299.382 1.988 20 0 CDADMM CCc1nc(NCC(C)(C)CCO)cc(-c2nnn[n-]2)n1 ZINC001590917005 1173541537 /nfs/dbraw/zinc/54/15/37/1173541537.db2.gz ZQDIGPMEONMTOF-UHFFFAOYSA-N -1 1 291.359 1.040 20 0 CDADMM CCc1nc(NCC(C)(C)CCO)cc(-c2nn[n-]n2)n1 ZINC001590917005 1173541540 /nfs/dbraw/zinc/54/15/40/1173541540.db2.gz ZQDIGPMEONMTOF-UHFFFAOYSA-N -1 1 291.359 1.040 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H]3CCC[C@H]32)n1 ZINC001590907413 1173542255 /nfs/dbraw/zinc/54/22/55/1173542255.db2.gz IAQNAZWGSNLZFU-CMPLNLGQSA-N -1 1 299.382 1.988 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H]3CCC[C@H]32)n1 ZINC001590907413 1173542260 /nfs/dbraw/zinc/54/22/60/1173542260.db2.gz IAQNAZWGSNLZFU-CMPLNLGQSA-N -1 1 299.382 1.988 20 0 CDADMM CCc1nccc(NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001590926379 1173544826 /nfs/dbraw/zinc/54/48/26/1173544826.db2.gz URQYKZYNGQHJDB-UHFFFAOYSA-N -1 1 288.340 1.288 20 0 CDADMM CCc1nccc(NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001590926379 1173544830 /nfs/dbraw/zinc/54/48/30/1173544830.db2.gz URQYKZYNGQHJDB-UHFFFAOYSA-N -1 1 288.340 1.288 20 0 CDADMM CCc1nnc(Sc2nccnc2-c2nn[n-]n2)s1 ZINC001590934096 1173546187 /nfs/dbraw/zinc/54/61/87/1173546187.db2.gz XNDBNNJLKCLHTA-UHFFFAOYSA-N -1 1 292.353 1.222 20 0 CDADMM CN(C(=O)C(F)=C1CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590973852 1173555217 /nfs/dbraw/zinc/55/52/17/1173555217.db2.gz KCVUKTPTWSXDOT-UHFFFAOYSA-N -1 1 288.286 1.632 20 0 CDADMM CN(C(=O)C(F)=C1CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590973852 1173555220 /nfs/dbraw/zinc/55/52/20/1173555220.db2.gz KCVUKTPTWSXDOT-UHFFFAOYSA-N -1 1 288.286 1.632 20 0 CDADMM CN(CC1=CCSC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001591051125 1173564917 /nfs/dbraw/zinc/56/49/17/1173564917.db2.gz SJWCUFFBZJZJSM-UHFFFAOYSA-N -1 1 274.353 1.371 20 0 CDADMM CN(CC1=CCSC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001591051125 1173564922 /nfs/dbraw/zinc/56/49/22/1173564922.db2.gz SJWCUFFBZJZJSM-UHFFFAOYSA-N -1 1 274.353 1.371 20 0 CDADMM CN(CCF)c1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001591091214 1173571771 /nfs/dbraw/zinc/57/17/71/1173571771.db2.gz QKMCEIJWDRRSSG-UHFFFAOYSA-N -1 1 290.224 1.686 20 0 CDADMM CN(CCF)c1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001591091214 1173571773 /nfs/dbraw/zinc/57/17/73/1173571773.db2.gz QKMCEIJWDRRSSG-UHFFFAOYSA-N -1 1 290.224 1.686 20 0 CDADMM CN(Cc1ccccc1F)c1cc(-c2nnn[n-]2)ncn1 ZINC001591148979 1173582419 /nfs/dbraw/zinc/58/24/19/1173582419.db2.gz QFJOELYOYQZVAU-UHFFFAOYSA-N -1 1 285.286 1.432 20 0 CDADMM CN(Cc1ccccc1F)c1cc(-c2nn[n-]n2)ncn1 ZINC001591148979 1173582427 /nfs/dbraw/zinc/58/24/27/1173582427.db2.gz QFJOELYOYQZVAU-UHFFFAOYSA-N -1 1 285.286 1.432 20 0 CDADMM CN(Cc1ccccc1)c1ccnc(-c2nn[n-]n2)n1 ZINC001591148326 1173583362 /nfs/dbraw/zinc/58/33/62/1173583362.db2.gz PMFZBQRQSZVULQ-UHFFFAOYSA-N -1 1 267.296 1.293 20 0 CDADMM COC(=O)C[C@H](C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001591269979 1173600169 /nfs/dbraw/zinc/60/01/69/1173600169.db2.gz HNOVFXZATOONIJ-LURJTMIESA-N -1 1 296.718 1.279 20 0 CDADMM CO[C@H](COC(=O)c1cc(-c2nnn[n-]2)oc1C)C1CC1 ZINC001591336342 1173618218 /nfs/dbraw/zinc/61/82/18/1173618218.db2.gz WNELXDRPDMQZIC-LLVKDONJSA-N -1 1 292.295 1.350 20 0 CDADMM CO[C@H](COC(=O)c1cc(-c2nn[n-]n2)oc1C)C1CC1 ZINC001591336342 1173618224 /nfs/dbraw/zinc/61/82/24/1173618224.db2.gz WNELXDRPDMQZIC-LLVKDONJSA-N -1 1 292.295 1.350 20 0 CDADMM CO[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)ncn2)C12CCC2 ZINC001591350664 1173622390 /nfs/dbraw/zinc/62/23/90/1173622390.db2.gz XPWWNXVUIKBNSP-UWVGGRQHSA-N -1 1 287.327 1.026 20 0 CDADMM CO[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)ncn2)C12CCC2 ZINC001591350664 1173622395 /nfs/dbraw/zinc/62/23/95/1173622395.db2.gz XPWWNXVUIKBNSP-UWVGGRQHSA-N -1 1 287.327 1.026 20 0 CDADMM CO[C@@H]1C[C@H](Nc2cc(C)cc(-c3nnn[n-]3)n2)C1(C)C ZINC001591351159 1173622813 /nfs/dbraw/zinc/62/28/13/1173622813.db2.gz YQQRUXQKFIPSOR-WDEREUQCSA-N -1 1 288.355 1.796 20 0 CDADMM CO[C@@H]1C[C@H](Nc2cc(C)cc(-c3nn[n-]n3)n2)C1(C)C ZINC001591351159 1173622818 /nfs/dbraw/zinc/62/28/18/1173622818.db2.gz YQQRUXQKFIPSOR-WDEREUQCSA-N -1 1 288.355 1.796 20 0 CDADMM CO[C@H]1CCC[C@H]1CNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001591362271 1173631851 /nfs/dbraw/zinc/63/18/51/1173631851.db2.gz QYUGGKURCAQNCT-JQWIXIFHSA-N -1 1 288.355 1.797 20 0 CDADMM CO[C@H]1CCC[C@H]1CNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001591362271 1173631858 /nfs/dbraw/zinc/63/18/58/1173631858.db2.gz QYUGGKURCAQNCT-JQWIXIFHSA-N -1 1 288.355 1.797 20 0 CDADMM COc1cccc([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001591633907 1173677128 /nfs/dbraw/zinc/67/71/28/1173677128.db2.gz STSVPXGUNNTRPV-SECBINFHSA-N -1 1 297.322 1.260 20 0 CDADMM Cc1c(C(=O)OCc2cccnc2-c2nnn[n-]2)ccn1C ZINC001591815070 1173710465 /nfs/dbraw/zinc/71/04/65/1173710465.db2.gz NFTLHNHIZSLTRY-UHFFFAOYSA-N -1 1 298.306 1.266 20 0 CDADMM Cc1c(C(=O)OCc2cccnc2-c2nn[n-]n2)ccn1C ZINC001591815070 1173710472 /nfs/dbraw/zinc/71/04/72/1173710472.db2.gz NFTLHNHIZSLTRY-UHFFFAOYSA-N -1 1 298.306 1.266 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](C(F)F)C2)n1 ZINC001591885886 1173738918 /nfs/dbraw/zinc/73/89/18/1173738918.db2.gz ZPYRYQICXOPFQW-ZETCQYMHSA-N -1 1 281.270 1.057 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](C(F)F)C2)n1 ZINC001591885886 1173738929 /nfs/dbraw/zinc/73/89/29/1173738929.db2.gz ZPYRYQICXOPFQW-ZETCQYMHSA-N -1 1 281.270 1.057 20 0 CDADMM Cc1cc(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)on1 ZINC001591969746 1173759967 /nfs/dbraw/zinc/75/99/67/1173759967.db2.gz KDNQYXZAAZEBGU-UHFFFAOYSA-N -1 1 298.310 1.443 20 0 CDADMM Cc1cc(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)on1 ZINC001591969746 1173759983 /nfs/dbraw/zinc/75/99/83/1173759983.db2.gz KDNQYXZAAZEBGU-UHFFFAOYSA-N -1 1 298.310 1.443 20 0 CDADMM Cc1cc(CNc2n[nH]cc2-c2nn[n-]n2)cc(C)n1 ZINC001591969594 1173760248 /nfs/dbraw/zinc/76/02/48/1173760248.db2.gz FXVVQSQRNMDTPX-UHFFFAOYSA-N -1 1 270.300 1.214 20 0 CDADMM Cc1cc(CNc2ccnc(-c3nn[n-]n3)c2)cc(C)n1 ZINC001591970240 1173761191 /nfs/dbraw/zinc/76/11/91/1173761191.db2.gz AZLSXPFYPLNEOO-UHFFFAOYSA-N -1 1 281.323 1.308 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cc(C)ncc1C ZINC001592029388 1173776383 /nfs/dbraw/zinc/77/63/83/1173776383.db2.gz NIHJYVGGPCGJPX-UHFFFAOYSA-N -1 1 298.306 1.454 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cc(C)ncc1C ZINC001592029388 1173776388 /nfs/dbraw/zinc/77/63/88/1173776388.db2.gz NIHJYVGGPCGJPX-UHFFFAOYSA-N -1 1 298.306 1.454 20 0 CDADMM Cc1cc(N[C@@H](C)c2ccn(C)n2)nc(-c2nnn[n-]2)c1 ZINC001592034737 1173779387 /nfs/dbraw/zinc/77/93/87/1173779387.db2.gz LHIUEALFDROLPU-VIFPVBQESA-N -1 1 284.327 1.477 20 0 CDADMM Cc1cc(N[C@@H](C)c2ccn(C)n2)nc(-c2nn[n-]n2)c1 ZINC001592034737 1173779392 /nfs/dbraw/zinc/77/93/92/1173779392.db2.gz LHIUEALFDROLPU-VIFPVBQESA-N -1 1 284.327 1.477 20 0 CDADMM Cc1cc(N[C@@H]2CSC[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592040512 1173781993 /nfs/dbraw/zinc/78/19/93/1173781993.db2.gz ZYRSGTMVMBLYRF-RDDDGLTNSA-N -1 1 276.369 1.155 20 0 CDADMM Cc1cc(N[C@@H]2CSC[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592040512 1173781999 /nfs/dbraw/zinc/78/19/99/1173781999.db2.gz ZYRSGTMVMBLYRF-RDDDGLTNSA-N -1 1 276.369 1.155 20 0 CDADMM Cc1cc(NCC[C@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001592045598 1173784418 /nfs/dbraw/zinc/78/44/18/1173784418.db2.gz GUDNPNZXGGMFQY-LLVKDONJSA-N -1 1 288.355 1.799 20 0 CDADMM Cc1cc(NCC[C@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001592045598 1173784420 /nfs/dbraw/zinc/78/44/20/1173784420.db2.gz GUDNPNZXGGMFQY-LLVKDONJSA-N -1 1 288.355 1.799 20 0 CDADMM Cc1cc(Nc2ccnc(-c3nn[n-]n3)n2)ccc1N(C)C ZINC001592057435 1173791998 /nfs/dbraw/zinc/79/19/98/1173791998.db2.gz VXIPORVRYPKTCL-UHFFFAOYSA-N -1 1 296.338 1.197 20 0 CDADMM Cc1cc[nH]c1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592072910 1173794903 /nfs/dbraw/zinc/79/49/03/1173794903.db2.gz ALHIJDPMPBLZOV-UHFFFAOYSA-N -1 1 269.268 1.151 20 0 CDADMM Cc1cc[nH]c1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592072910 1173794907 /nfs/dbraw/zinc/79/49/07/1173794907.db2.gz ALHIJDPMPBLZOV-UHFFFAOYSA-N -1 1 269.268 1.151 20 0 CDADMM Cc1ccc(N2CC[C@H](C(C)(C)O)C2)c(-c2nnn[n-]2)n1 ZINC001592174365 1173824165 /nfs/dbraw/zinc/82/41/65/1173824165.db2.gz CABVCZGSODNNGS-JTQLQIEISA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(N2CC[C@H](C(C)(C)O)C2)c(-c2nn[n-]n2)n1 ZINC001592174365 1173824173 /nfs/dbraw/zinc/82/41/73/1173824173.db2.gz CABVCZGSODNNGS-JTQLQIEISA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(NCCO[C@H]2CC2(F)F)nc1-c1nnn[n-]1 ZINC001592186169 1173831433 /nfs/dbraw/zinc/83/14/33/1173831433.db2.gz RVIIYBNAVLKLIN-QMMMGPOBSA-N -1 1 296.281 1.406 20 0 CDADMM Cc1ccc(NCCO[C@H]2CC2(F)F)nc1-c1nn[n-]n1 ZINC001592186169 1173831440 /nfs/dbraw/zinc/83/14/40/1173831440.db2.gz RVIIYBNAVLKLIN-QMMMGPOBSA-N -1 1 296.281 1.406 20 0 CDADMM Cc1ccccc1[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001592250065 1173836028 /nfs/dbraw/zinc/83/60/28/1173836028.db2.gz DILMEDAUOKZESP-LBPRGKRZSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1ccccc1[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001592250065 1173836034 /nfs/dbraw/zinc/83/60/34/1173836034.db2.gz DILMEDAUOKZESP-LBPRGKRZSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1csc(CNc2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001592315403 1173852082 /nfs/dbraw/zinc/85/20/82/1173852082.db2.gz MMKMQHBDNUNKHS-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1csc(CNc2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001592315403 1173852084 /nfs/dbraw/zinc/85/20/84/1173852084.db2.gz MMKMQHBDNUNKHS-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1[nH]nc(NCc2cnc(C3CC3)nc2)c1-c1nnn[n-]1 ZINC001592330888 1173856720 /nfs/dbraw/zinc/85/67/20/1173856720.db2.gz OAWVLIBRAIWLSL-UHFFFAOYSA-N -1 1 297.326 1.178 20 0 CDADMM Cc1[nH]nc(NCc2cnc(C3CC3)nc2)c1-c1nn[n-]n1 ZINC001592330888 1173856722 /nfs/dbraw/zinc/85/67/22/1173856722.db2.gz OAWVLIBRAIWLSL-UHFFFAOYSA-N -1 1 297.326 1.178 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N(C)Cc2ccccc2F)n1 ZINC001592338907 1173858739 /nfs/dbraw/zinc/85/87/39/1173858739.db2.gz SDKFGFGBZPNGFE-UHFFFAOYSA-N -1 1 299.313 1.741 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N(C)Cc2ccccc2F)n1 ZINC001592338907 1173858747 /nfs/dbraw/zinc/85/87/47/1173858747.db2.gz SDKFGFGBZPNGFE-UHFFFAOYSA-N -1 1 299.313 1.741 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@@H]2C[C@H]3C[C@H]3C2)c1C ZINC001592339457 1173861169 /nfs/dbraw/zinc/86/11/69/1173861169.db2.gz MZQKOOSVTMMSOT-JGPRNRPPSA-N -1 1 258.329 1.726 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@@H]2C[C@H]3C[C@H]3C2)c1C ZINC001592339457 1173861173 /nfs/dbraw/zinc/86/11/73/1173861173.db2.gz MZQKOOSVTMMSOT-JGPRNRPPSA-N -1 1 258.329 1.726 20 0 CDADMM Cc1nc(C)c(COc2cccnc2-c2nnn[n-]2)s1 ZINC001592357189 1173866917 /nfs/dbraw/zinc/86/69/17/1173866917.db2.gz GUOIFGKUXFUKEB-UHFFFAOYSA-N -1 1 288.336 1.914 20 0 CDADMM Cc1nc(C)c(COc2cccnc2-c2nn[n-]n2)s1 ZINC001592357189 1173866922 /nfs/dbraw/zinc/86/69/22/1173866922.db2.gz GUOIFGKUXFUKEB-UHFFFAOYSA-N -1 1 288.336 1.914 20 0 CDADMM Cc1nc(COC(=O)c2ccc(-c3nn[n-]n3)o2)c(C)o1 ZINC001592364016 1173868087 /nfs/dbraw/zinc/86/80/87/1173868087.db2.gz DUUZDSDOTOETMG-UHFFFAOYSA-N -1 1 289.251 1.422 20 0 CDADMM Cc1nc(NCCCC2(O)CCC2)cc(-c2nnn[n-]2)n1 ZINC001592390101 1173879622 /nfs/dbraw/zinc/87/96/22/1173879622.db2.gz MIIKWOYWIGXDKA-UHFFFAOYSA-N -1 1 289.343 1.072 20 0 CDADMM Cc1nc(NCCCC2(O)CCC2)cc(-c2nn[n-]n2)n1 ZINC001592390101 1173879625 /nfs/dbraw/zinc/87/96/25/1173879625.db2.gz MIIKWOYWIGXDKA-UHFFFAOYSA-N -1 1 289.343 1.072 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@@H](C)C2CCC2)c1-c1nnn[n-]1 ZINC001592442926 1173890919 /nfs/dbraw/zinc/89/09/19/1173890919.db2.gz RJUPQSMTJPRDTB-ZETCQYMHSA-N -1 1 289.343 1.283 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@@H](C)C2CCC2)c1-c1nn[n-]n1 ZINC001592442926 1173890927 /nfs/dbraw/zinc/89/09/27/1173890927.db2.gz RJUPQSMTJPRDTB-ZETCQYMHSA-N -1 1 289.343 1.283 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@]1(C)CCCO1 ZINC001592503248 1173907376 /nfs/dbraw/zinc/90/73/76/1173907376.db2.gz SIOZENJHQFQMRG-CYBMUJFWSA-N -1 1 291.311 1.067 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@]1(C)CCCO1 ZINC001592503248 1173907385 /nfs/dbraw/zinc/90/73/85/1173907385.db2.gz SIOZENJHQFQMRG-CYBMUJFWSA-N -1 1 291.311 1.067 20 0 CDADMM Clc1ccc(COc2cnc(-c3nn[n-]n3)nc2)nc1 ZINC001592531787 1173912770 /nfs/dbraw/zinc/91/27/70/1173912770.db2.gz YEDZZGGBNMCIMU-UHFFFAOYSA-N -1 1 289.686 1.284 20 0 CDADMM Cn1cc(Cl)c(NC(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001592573771 1173922740 /nfs/dbraw/zinc/92/27/40/1173922740.db2.gz VYIBIMCSZKKYST-UHFFFAOYSA-N -1 1 293.674 1.099 20 0 CDADMM Cn1nc(Nc2ccc(-c3nnn[n-]3)nn2)cc1C1CC1 ZINC001592595539 1173924312 /nfs/dbraw/zinc/92/43/12/1173924312.db2.gz ZALLVMUZTUIUTC-UHFFFAOYSA-N -1 1 283.299 1.011 20 0 CDADMM Cn1nc(Nc2ccc(-c3nn[n-]n3)nn2)cc1C1CC1 ZINC001592595539 1173924324 /nfs/dbraw/zinc/92/43/24/1173924324.db2.gz ZALLVMUZTUIUTC-UHFFFAOYSA-N -1 1 283.299 1.011 20 0 CDADMM Cn1ncc2c1CN(Cc1ccc(-c3nn[n-]n3)s1)C2 ZINC001592603592 1173926673 /nfs/dbraw/zinc/92/66/73/1173926673.db2.gz RKMODLHBAVYKPH-UHFFFAOYSA-N -1 1 287.352 1.178 20 0 CDADMM FC(F)C1CN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001592625648 1173931720 /nfs/dbraw/zinc/93/17/20/1173931720.db2.gz VLEVDTASAPQSJT-UHFFFAOYSA-N -1 1 292.702 1.678 20 0 CDADMM FC(F)C1CN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001592625648 1173931723 /nfs/dbraw/zinc/93/17/23/1173931723.db2.gz VLEVDTASAPQSJT-UHFFFAOYSA-N -1 1 292.702 1.678 20 0 CDADMM Fc1ccc(COc2cnc(-c3nn[n-]n3)nc2)c(F)c1 ZINC001592651533 1173952714 /nfs/dbraw/zinc/95/27/14/1173952714.db2.gz OSWFNLZDUJMVAQ-UHFFFAOYSA-N -1 1 290.233 1.514 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCCCCO1 ZINC001593244635 1174039406 /nfs/dbraw/zinc/03/94/06/1174039406.db2.gz WAOMPMDADOPHFC-UHFFFAOYSA-N -1 1 289.299 1.211 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCCCCO1 ZINC001593244635 1174039411 /nfs/dbraw/zinc/03/94/11/1174039411.db2.gz WAOMPMDADOPHFC-UHFFFAOYSA-N -1 1 289.299 1.211 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC001593259471 1174044251 /nfs/dbraw/zinc/04/42/51/1174044251.db2.gz AMWPERHKHRPJKV-UHFFFAOYSA-N -1 1 295.715 1.557 20 0 CDADMM O=C(OC1CC2(CC2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593281890 1174047791 /nfs/dbraw/zinc/04/77/91/1174047791.db2.gz MMPLZUHXLOSSQT-UHFFFAOYSA-N -1 1 271.280 1.361 20 0 CDADMM O=C(OC1CC2(CC2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593281890 1174047801 /nfs/dbraw/zinc/04/78/01/1174047801.db2.gz MMPLZUHXLOSSQT-UHFFFAOYSA-N -1 1 271.280 1.361 20 0 CDADMM O=C(OCCCCF)c1csc(-c2nnn[n-]2)c1 ZINC001593287129 1174054179 /nfs/dbraw/zinc/05/41/79/1174054179.db2.gz FRUFNNVEKUYQED-UHFFFAOYSA-N -1 1 270.289 1.835 20 0 CDADMM O=C(OCCCCF)c1csc(-c2nn[n-]n2)c1 ZINC001593287129 1174054187 /nfs/dbraw/zinc/05/41/87/1174054187.db2.gz FRUFNNVEKUYQED-UHFFFAOYSA-N -1 1 270.289 1.835 20 0 CDADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)C1CCCCC1 ZINC001593308005 1174063565 /nfs/dbraw/zinc/06/35/65/1174063565.db2.gz XTVFBNOZULJOJH-UHFFFAOYSA-N -1 1 293.352 1.947 20 0 CDADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)C1CCCCC1 ZINC001593308005 1174063571 /nfs/dbraw/zinc/06/35/71/1174063571.db2.gz XTVFBNOZULJOJH-UHFFFAOYSA-N -1 1 293.352 1.947 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H](C2CC2)C1 ZINC001593337092 1174066854 /nfs/dbraw/zinc/06/68/54/1174066854.db2.gz NSZMCTGGCJNOAO-LBPRGKRZSA-N -1 1 298.350 1.524 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H](C2CC2)C1 ZINC001593337092 1174066859 /nfs/dbraw/zinc/06/68/59/1174066859.db2.gz NSZMCTGGCJNOAO-LBPRGKRZSA-N -1 1 298.350 1.524 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@@H]1C1CCCC1 ZINC001593348601 1174069445 /nfs/dbraw/zinc/06/94/45/1174069445.db2.gz GZYQVQFJGFLTGH-CYBMUJFWSA-N -1 1 298.350 1.666 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@@H]1C1CCCC1 ZINC001593348601 1174069450 /nfs/dbraw/zinc/06/94/50/1174069450.db2.gz GZYQVQFJGFLTGH-CYBMUJFWSA-N -1 1 298.350 1.666 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC001593368354 1174072193 /nfs/dbraw/zinc/07/21/93/1174072193.db2.gz ZIAASDWCRKVDKL-AAEUAGOBSA-N -1 1 299.334 1.720 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC001593368354 1174072198 /nfs/dbraw/zinc/07/21/98/1174072198.db2.gz ZIAASDWCRKVDKL-AAEUAGOBSA-N -1 1 299.334 1.720 20 0 CDADMM OC1(CNc2nc(Cl)c(-c3nnn[n-]3)s2)CCC1 ZINC001593514015 1174095875 /nfs/dbraw/zinc/09/58/75/1174095875.db2.gz BJORHWKBCDJCMU-UHFFFAOYSA-N -1 1 286.748 1.304 20 0 CDADMM OC1(CNc2nc(Cl)c(-c3nn[n-]n3)s2)CCC1 ZINC001593514015 1174095884 /nfs/dbraw/zinc/09/58/84/1174095884.db2.gz BJORHWKBCDJCMU-UHFFFAOYSA-N -1 1 286.748 1.304 20 0 CDADMM OCc1csc(SCc2ccc(-c3nnn[n-]3)o2)n1 ZINC001593536122 1174110417 /nfs/dbraw/zinc/11/04/17/1174110417.db2.gz SHPBCSHXACCGFG-UHFFFAOYSA-N -1 1 295.349 1.701 20 0 CDADMM OCc1csc(SCc2ccc(-c3nn[n-]n3)o2)n1 ZINC001593536122 1174110420 /nfs/dbraw/zinc/11/04/20/1174110420.db2.gz SHPBCSHXACCGFG-UHFFFAOYSA-N -1 1 295.349 1.701 20 0 CDADMM c1cc(SC[C@@H]2CCCO2)cc(-c2nnn[n-]2)n1 ZINC001593562347 1174130540 /nfs/dbraw/zinc/13/05/40/1174130540.db2.gz IRDOTSAFCARHGW-QMMMGPOBSA-N -1 1 263.326 1.533 20 0 CDADMM c1cc(SC[C@@H]2CCCO2)cc(-c2nn[n-]n2)n1 ZINC001593562347 1174130544 /nfs/dbraw/zinc/13/05/44/1174130544.db2.gz IRDOTSAFCARHGW-QMMMGPOBSA-N -1 1 263.326 1.533 20 0 CDADMM c1cc(N2CCC[C@H]2C2CCCC2)nc(-c2nn[n-]n2)n1 ZINC001593559379 1174133247 /nfs/dbraw/zinc/13/32/47/1174133247.db2.gz NUBRBZWXPHJXGA-NSHDSACASA-N -1 1 285.355 1.816 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OC[C@H]2C[C@]23CCOC3)c1 ZINC001593583624 1174150213 /nfs/dbraw/zinc/15/02/13/1174150213.db2.gz BNZXOUFOGAZEGS-RNCFNFMXSA-N -1 1 273.296 1.067 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OC[C@H]2C[C@]23CCOC3)c1 ZINC001593583624 1174150221 /nfs/dbraw/zinc/15/02/21/1174150221.db2.gz BNZXOUFOGAZEGS-RNCFNFMXSA-N -1 1 273.296 1.067 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC001593594661 1174163118 /nfs/dbraw/zinc/16/31/18/1174163118.db2.gz FKDDUTMHEYUHST-FXAINCCUSA-N -1 1 299.338 1.026 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC001593594661 1174163123 /nfs/dbraw/zinc/16/31/23/1174163123.db2.gz FKDDUTMHEYUHST-FXAINCCUSA-N -1 1 299.338 1.026 20 0 CDADMM Cc1c(C(=O)[O-])cc(CNC(=O)c2coc(CN)c2)n1C ZINC001599994654 1174335298 /nfs/dbraw/zinc/33/52/98/1174335298.db2.gz ACPCJZUJNZLPCD-UHFFFAOYSA-N -1 1 291.307 1.013 20 0 CDADMM Cc1cc(C(=O)[O-])nc(NCc2n[nH]c(C3CC3)n2)n1 ZINC001600127675 1174369834 /nfs/dbraw/zinc/36/98/34/1174369834.db2.gz IXXJGUDFBCVARE-UHFFFAOYSA-N -1 1 274.284 1.091 20 0 CDADMM Cc1cc([C@H](C)N2CC[C@H](CO)[C@@H](O)C2)oc1C(=O)[O-] ZINC001600149890 1174380800 /nfs/dbraw/zinc/38/08/00/1174380800.db2.gz LGEVIPDIMHOELF-AXFHLTTASA-N -1 1 283.324 1.022 20 0 CDADMM Cc1ccc(O)c(CN2CC(c3cc(C(=O)[O-])n[nH]3)C2)n1 ZINC001600464706 1174484463 /nfs/dbraw/zinc/48/44/63/1174484463.db2.gz JDMYEGPUVOMMIO-UHFFFAOYSA-N -1 1 288.307 1.116 20 0 CDADMM Cc1ccccc1NC(=O)CN1CC2CC1(C(=O)[O-])C2 ZINC001600585124 1174513356 /nfs/dbraw/zinc/51/33/56/1174513356.db2.gz JFBBOMGYWKAHLF-UHFFFAOYSA-N -1 1 274.320 1.483 20 0 CDADMM Cc1nc(CC(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)n[nH]1 ZINC001600670863 1174556523 /nfs/dbraw/zinc/55/65/23/1174556523.db2.gz ACBSERGIJGHYKW-UHFFFAOYSA-N -1 1 299.290 1.474 20 0 CDADMM Cc1nc(COC(=O)c2ccccc2C(=O)[O-])n[nH]1 ZINC001600670724 1174556637 /nfs/dbraw/zinc/55/66/37/1174556637.db2.gz KPGHBMUPPPRZIT-UHFFFAOYSA-N -1 1 261.237 1.168 20 0 CDADMM Cc1nc(CC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)n[nH]1 ZINC001600671667 1174557978 /nfs/dbraw/zinc/55/79/78/1174557978.db2.gz SRLVIVSFLPDWFE-UHFFFAOYSA-N -1 1 292.270 1.061 20 0 CDADMM c1ccc2c(c1)CN(c1ccnc(-c3nnn[n-]3)c1)C2 ZINC000103671294 1174683990 /nfs/dbraw/zinc/68/39/90/1174683990.db2.gz HDWZVDMFEZDZNQ-UHFFFAOYSA-N -1 1 264.292 1.782 20 0 CDADMM c1ccc2c(c1)CN(c1ccnc(-c3nn[n-]n3)c1)C2 ZINC000103671294 1174683991 /nfs/dbraw/zinc/68/39/91/1174683991.db2.gz HDWZVDMFEZDZNQ-UHFFFAOYSA-N -1 1 264.292 1.782 20 0 CDADMM O=C([O-])[C@H](CNC(=O)CCc1nc[nH]n1)CC1CCCC1 ZINC001601297541 1174828556 /nfs/dbraw/zinc/82/85/56/1174828556.db2.gz WJNYKCQNNGFENQ-NSHDSACASA-N -1 1 294.355 1.135 20 0 CDADMM O=C([O-])[C@H](CNC(=O)c1cccc(F)c1O)CC1CC1 ZINC001601458252 1174876442 /nfs/dbraw/zinc/87/64/42/1174876442.db2.gz LBJSHHLNBLUXIY-VIFPVBQESA-N -1 1 281.283 1.762 20 0 CDADMM O=C([O-])C12CC(C(=O)Nc3nc(-c4ccccn4)n[nH]3)(C1)C2 ZINC001601729324 1174972267 /nfs/dbraw/zinc/97/22/67/1174972267.db2.gz CXEQUZGGFMFSCP-UHFFFAOYSA-N -1 1 299.290 1.060 20 0 CDADMM O=C([O-])[C@H]1[C@H](CNCc2nc3c(s2)CCC3)C1(F)F ZINC001601748099 1174982268 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O=C([O-])c1cnc(CN2CC[C@H](c3cccnc3)C2)cn1 ZINC001602519095 1175265648 /nfs/dbraw/zinc/26/56/48/1175265648.db2.gz PIJSOLNRPOPGQA-LBPRGKRZSA-N -1 1 284.319 1.559 20 0 CDADMM O=C([O-])c1ncn(CN2CCC[C@@H]3CCCC[C@@H]32)n1 ZINC001602580207 1175306982 /nfs/dbraw/zinc/30/69/82/1175306982.db2.gz MLANQHMYKKRRIL-QWRGUYRKSA-N -1 1 264.329 1.588 20 0 CDADMM CC(C)(C)C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001603059933 1175484428 /nfs/dbraw/zinc/48/44/28/1175484428.db2.gz JIQVBKIXXXXPLI-UHFFFAOYSA-N -1 1 286.748 1.961 20 0 CDADMM C[C@H](C(=O)Nc1nn(C)cc1C(=O)[O-])N1CCCCCC1 ZINC001603181136 1175510491 /nfs/dbraw/zinc/51/04/91/1175510491.db2.gz PURQPDWNXNSUBZ-SNVBAGLBSA-N -1 1 294.355 1.321 20 0 CDADMM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cnccc2N)C1 ZINC001603253274 1175526165 /nfs/dbraw/zinc/52/61/65/1175526165.db2.gz NQEJEMSZSMGBIM-JTQLQIEISA-N -1 1 291.351 1.457 20 0 CDADMM CC(C)CC[C@H](O)COc1cccnc1-c1nnn[n-]1 ZINC001603278261 1175530249 /nfs/dbraw/zinc/53/02/49/1175530249.db2.gz LLTKXNGSGOSQOP-JTQLQIEISA-N 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C[C@@H]1CN(Cc2cc(Cl)ncc2[O-])C[C@H](C)[N@@H+]1C ZINC001233034625 943470093 /nfs/dbraw/zinc/47/00/93/943470093.db2.gz OEAPGNWRLNNNCZ-AOOOYVTPSA-N -1 1 269.776 1.965 20 0 CDADMM CCCNC(=O)[C@H](C)Nc1cc(Cl)[n-]c(=O)n1 ZINC001262672633 943664667 /nfs/dbraw/zinc/66/46/67/943664667.db2.gz GVBLXERGIFJABO-LURJTMIESA-N -1 1 258.709 1.162 20 0 CDADMM CCOC(=O)[C@H](C)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234039609 943725162 /nfs/dbraw/zinc/72/51/62/943725162.db2.gz QJMQYZNRXAWUHG-QMMMGPOBSA-N -1 1 292.291 1.680 20 0 CDADMM CCOC(=O)[C@H](C)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234039609 943725165 /nfs/dbraw/zinc/72/51/65/943725165.db2.gz QJMQYZNRXAWUHG-QMMMGPOBSA-N -1 1 292.291 1.680 20 0 CDADMM CCCC(=O)[C@H](CCC)Oc1c(C(N)=O)nc[n-]c1=O ZINC001234465501 943848110 /nfs/dbraw/zinc/84/81/10/943848110.db2.gz FUOUAUYVBJBNNZ-VIFPVBQESA-N -1 1 281.312 1.198 20 0 CDADMM COC(=O)c1nc(C(C)C)[n-]c(=O)c1O[C@H](C)C(=O)OC ZINC001234554212 943891718 /nfs/dbraw/zinc/89/17/18/943891718.db2.gz LFIFTRNGFARMNA-SSDOTTSWSA-N -1 1 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CDADMM Cc1ccc([C@H](C)C(=O)N(C)C[C@H](C)c2nn[n-]n2)o1 ZINC000774005678 575848035 /nfs/dbraw/zinc/84/80/35/575848035.db2.gz SOLDOCJMFXQLQO-WPRPVWTQSA-N -1 1 277.328 1.467 20 0 CDADMM CSc1ccc(Cn2cccc(-c3nn[n-]n3)c2=O)cc1 ZINC000737191164 575898707 /nfs/dbraw/zinc/89/87/07/575898707.db2.gz REUXIFINNOVHEC-UHFFFAOYSA-N -1 1 299.359 1.799 20 0 CDADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)c2ccco2)o1 ZINC000764801132 575948294 /nfs/dbraw/zinc/94/82/94/575948294.db2.gz QMSRHVZEAWNXAG-QMMMGPOBSA-N -1 1 299.304 1.699 20 0 CDADMM CN(CC1CC1)C(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000737409477 575957260 /nfs/dbraw/zinc/95/72/60/575957260.db2.gz JIUPXDZRGFWAEG-LBPRGKRZSA-N -1 1 280.368 1.042 20 0 CDADMM CN(Cc1nc2ccccc2s1)C[C@](C)(O)C(=O)[O-] ZINC000737496860 575975886 /nfs/dbraw/zinc/97/58/86/575975886.db2.gz POOTUHCKMHWJAI-ZDUSSCGKSA-N -1 1 280.349 1.564 20 0 CDADMM CC(C)[C@H](C(=O)OCCCC(=O)[O-])N1CCCCC1 ZINC000737607899 576001455 /nfs/dbraw/zinc/00/14/55/576001455.db2.gz UNEPZPLABJUBIS-CYBMUJFWSA-N -1 1 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/nfs/dbraw/zinc/69/97/37/601699737.db2.gz PGZJLMXXCCHLFC-RYUDHWBXSA-N -1 1 296.754 1.676 20 0 CDADMM Cc1n[nH]c(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)c1C ZINC000716669690 601788226 /nfs/dbraw/zinc/78/82/26/601788226.db2.gz VNLJYFFVTIAYIM-LBPRGKRZSA-N -1 1 279.340 1.790 20 0 CDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CCc2ccoc2)CC1 ZINC000827363024 601813015 /nfs/dbraw/zinc/81/30/15/601813015.db2.gz YERPEWFSRMSMQL-LBPRGKRZSA-N -1 1 294.351 1.220 20 0 CDADMM C[C@@H]1CN(Cn2cccnc2=S)C[C@@H]1C(=O)[O-] ZINC000828465824 601817532 /nfs/dbraw/zinc/81/75/32/601817532.db2.gz YCVPWPINNSEPAN-BDAKNGLRSA-N -1 1 253.327 1.223 20 0 CDADMM Cc1cc(CNC(=O)N2CCC(CCC(=O)[O-])CC2)n[nH]1 ZINC000832882245 601828302 /nfs/dbraw/zinc/82/83/02/601828302.db2.gz DUDKIEBUCXMGIR-UHFFFAOYSA-N -1 1 294.355 1.505 20 0 CDADMM C[C@]1(C(=O)[O-])CCN([C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000828020786 601929979 /nfs/dbraw/zinc/92/99/79/601929979.db2.gz WHKLQPMYICJPRA-FZMZJTMJSA-N -1 1 280.299 1.149 20 0 CDADMM CC[C@H](CO)N1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000828890848 601959952 /nfs/dbraw/zinc/95/99/52/601959952.db2.gz OARUNTSJVFSKKI-LLVKDONJSA-N -1 1 298.408 1.335 20 0 CDADMM CC1CCC(NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C)CC1 ZINC000828225600 602226277 /nfs/dbraw/zinc/22/62/77/602226277.db2.gz GPTHVCODWWNQPC-GCZXYKMCSA-N -1 1 284.400 1.770 20 0 CDADMM O=C([O-])c1coc(CN2CCC([C@H]3COC(=O)N3)CC2)c1 ZINC001602655365 1175340643 /nfs/dbraw/zinc/34/06/43/1175340643.db2.gz FLPWKXSWPSYTPA-GFCCVEGCSA-N -1 1 294.307 1.298 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCCS1 ZINC000826467048 607611783 /nfs/dbraw/zinc/61/17/83/607611783.db2.gz FEMQAMDYFUAMPH-JTQLQIEISA-N -1 1 291.336 1.201 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCS1 ZINC000826467048 607611786 /nfs/dbraw/zinc/61/17/86/607611786.db2.gz FEMQAMDYFUAMPH-JTQLQIEISA-N -1 1 291.336 1.201 20 0 CDADMM O=C(Cc1ccco1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826423937 607614522 /nfs/dbraw/zinc/61/45/22/607614522.db2.gz OBEUOEMKJSZAOP-UHFFFAOYSA-N -1 1 285.263 1.141 20 0 CDADMM O=C(Cc1ccco1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826423937 607614524 /nfs/dbraw/zinc/61/45/24/607614524.db2.gz OBEUOEMKJSZAOP-UHFFFAOYSA-N -1 1 285.263 1.141 20 0 CDADMM O=S(=O)([N-][C@@H]1C=CCC1)c1nc[nH]c1Br ZINC000867505864 617184015 /nfs/dbraw/zinc/18/40/15/617184015.db2.gz HLGGYFXDSUXYJC-ZCFIWIBFSA-N -1 1 292.158 1.169 20 0 CDADMM O=C([O-])c1cc(C(=O)N[C@@H]2CCCc3cn[nH]c32)ccn1 ZINC000833130086 604426349 /nfs/dbraw/zinc/42/63/49/604426349.db2.gz IDAHILXJWOEBBC-SNVBAGLBSA-N -1 1 286.291 1.310 20 0 CDADMM O=C([O-])c1cc(CN2CCC[C@H](N3CCCC3=O)C2)c[nH]1 ZINC000833780523 604638119 /nfs/dbraw/zinc/63/81/19/604638119.db2.gz YNCNJFYFAQQADD-LBPRGKRZSA-N -1 1 291.351 1.300 20 0 CDADMM CC(C)N(CCC(=O)[O-])CN1Cc2ccc(F)cc2C1=O ZINC000833496865 604860361 /nfs/dbraw/zinc/86/03/61/604860361.db2.gz JUZNVBKHLOMELF-UHFFFAOYSA-N -1 1 294.326 1.924 20 0 CDADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC[C@H]1CO ZINC000889159574 620823649 /nfs/dbraw/zinc/82/36/49/620823649.db2.gz JPLQLVCIIXWTOM-JTQLQIEISA-N -1 1 273.288 1.458 20 0 CDADMM CC(C)C[C@H](NC(=O)CN1CCC2(CC2)CC1)C(=O)[O-] ZINC000833479245 604930909 /nfs/dbraw/zinc/93/09/09/604930909.db2.gz XSAMKEBIAJNSEW-LBPRGKRZSA-N -1 1 282.384 1.478 20 0 CDADMM CCOC(=O)[C@H](C)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833655537 604954143 /nfs/dbraw/zinc/95/41/43/604954143.db2.gz CKGFRCBJYBCTSY-QWRGUYRKSA-N -1 1 271.357 1.761 20 0 CDADMM CC(=O)Nc1ccccc1CN[C@@H](C(=O)[O-])c1cccnc1 ZINC000825917251 605003979 /nfs/dbraw/zinc/00/39/79/605003979.db2.gz HCCWKFXNXYENEU-OAHLLOKOSA-N -1 1 299.330 1.956 20 0 CDADMM COc1ccc2oc(CNC3CN(C(=O)[O-])C3)cc2c1 ZINC000833734872 605029925 /nfs/dbraw/zinc/02/99/25/605029925.db2.gz IOYOUFQVWKDKMR-UHFFFAOYSA-N -1 1 276.292 1.893 20 0 CDADMM CCc1[nH]c(C(=O)NCCN2CCC2)c(C)c1C(=O)[O-] ZINC000833667549 605106565 /nfs/dbraw/zinc/10/65/65/605106565.db2.gz JJGLVJOWOPIYOO-UHFFFAOYSA-N -1 1 279.340 1.019 20 0 CDADMM C/C(=C/C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)C1CC1 ZINC000833381207 605106923 /nfs/dbraw/zinc/10/69/23/605106923.db2.gz DANYWNAMINOHSX-UCQJPZFISA-N -1 1 280.368 1.350 20 0 CDADMM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])cs1)c1nnc[nH]1 ZINC000833521542 605168087 /nfs/dbraw/zinc/16/80/87/605168087.db2.gz PADNFLUFRUUQSJ-RXMQYKEDSA-N -1 1 281.297 1.447 20 0 CDADMM CC[C@]1(C)CCCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000833646548 605176060 /nfs/dbraw/zinc/17/60/60/605176060.db2.gz PZOXWPJVUUBOMF-SMDDNHRTSA-N -1 1 268.357 1.389 20 0 CDADMM CC[C@H](C)[C@H](NC(=O)CN1CC[C@H](C)[C@@H](C)C1)C(=O)[O-] ZINC000833639966 605213143 /nfs/dbraw/zinc/21/31/43/605213143.db2.gz SCNCWTYZIBPQFS-MNXVOIDGSA-N -1 1 284.400 1.580 20 0 CDADMM C[C@H]1CN(C(=O)c2ccsc2)CCN1CCC(=O)[O-] ZINC000833623034 605255418 /nfs/dbraw/zinc/25/54/18/605255418.db2.gz NXPKMAMBHJFZLM-JTQLQIEISA-N -1 1 282.365 1.369 20 0 CDADMM C/C=C\COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820832118 606132478 /nfs/dbraw/zinc/13/24/78/606132478.db2.gz HJCRAHKKNPQNIR-IHWYPQMZSA-N -1 1 250.283 1.661 20 0 CDADMM C/C=C\COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820832118 606132480 /nfs/dbraw/zinc/13/24/80/606132480.db2.gz HJCRAHKKNPQNIR-IHWYPQMZSA-N -1 1 250.283 1.661 20 0 CDADMM CC[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820875940 606138995 /nfs/dbraw/zinc/13/89/95/606138995.db2.gz ITSPXWHYQQTNFU-ZCFIWIBFSA-N -1 1 252.299 1.884 20 0 CDADMM CC[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820875940 606138996 /nfs/dbraw/zinc/13/89/96/606138996.db2.gz ITSPXWHYQQTNFU-ZCFIWIBFSA-N -1 1 252.299 1.884 20 0 CDADMM O=C(OCc1ccoc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823440513 606178211 /nfs/dbraw/zinc/17/82/11/606178211.db2.gz XHHHXRVLHPSFLD-UHFFFAOYSA-N -1 1 276.277 1.878 20 0 CDADMM O=C(OCc1ccoc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823440513 606178212 /nfs/dbraw/zinc/17/82/12/606178212.db2.gz XHHHXRVLHPSFLD-UHFFFAOYSA-N -1 1 276.277 1.878 20 0 CDADMM O=C(NCc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823261176 606486477 /nfs/dbraw/zinc/48/64/77/606486477.db2.gz DUNDTRLYIOSYBU-UHFFFAOYSA-N -1 1 285.332 1.858 20 0 CDADMM O=C(NCc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823261176 606486479 /nfs/dbraw/zinc/48/64/79/606486479.db2.gz DUNDTRLYIOSYBU-UHFFFAOYSA-N -1 1 285.332 1.858 20 0 CDADMM O=C(NCc1ccncc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823265819 606488186 /nfs/dbraw/zinc/48/81/86/606488186.db2.gz HELBPRNSKQMBPP-UHFFFAOYSA-N -1 1 286.320 1.253 20 0 CDADMM O=C(NCc1ccncc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823265819 606488187 /nfs/dbraw/zinc/48/81/87/606488187.db2.gz HELBPRNSKQMBPP-UHFFFAOYSA-N -1 1 286.320 1.253 20 0 CDADMM CCn1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC000821566474 606515126 /nfs/dbraw/zinc/51/51/26/606515126.db2.gz GGKLXTDGYXBKRL-UHFFFAOYSA-N -1 1 289.324 1.397 20 0 CDADMM CCn1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC000821566474 606515128 /nfs/dbraw/zinc/51/51/28/606515128.db2.gz GGKLXTDGYXBKRL-UHFFFAOYSA-N -1 1 289.324 1.397 20 0 CDADMM Cc1nn(C)cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822496433 606571672 /nfs/dbraw/zinc/57/16/72/606571672.db2.gz MUDOLLUZXNWEOJ-UHFFFAOYSA-N -1 1 289.324 1.222 20 0 CDADMM Cc1nn(C)cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822496433 606571674 /nfs/dbraw/zinc/57/16/74/606571674.db2.gz MUDOLLUZXNWEOJ-UHFFFAOYSA-N -1 1 289.324 1.222 20 0 CDADMM COC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(C)C ZINC000821683485 606573250 /nfs/dbraw/zinc/57/32/50/606573250.db2.gz BRALKIHKUDAFLM-QMMMGPOBSA-N -1 1 295.368 1.329 20 0 CDADMM COC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(C)C ZINC000821683485 606573252 /nfs/dbraw/zinc/57/32/52/606573252.db2.gz BRALKIHKUDAFLM-QMMMGPOBSA-N -1 1 295.368 1.329 20 0 CDADMM COC(C)(C)c1noc(-c2ccc(-c3nnn[n-]3)s2)n1 ZINC000821674096 606637814 /nfs/dbraw/zinc/63/78/14/606637814.db2.gz TWFXWJIHYCOZEQ-UHFFFAOYSA-N -1 1 292.324 1.860 20 0 CDADMM COC(C)(C)c1noc(-c2ccc(-c3nn[n-]n3)s2)n1 ZINC000821674096 606637815 /nfs/dbraw/zinc/63/78/15/606637815.db2.gz TWFXWJIHYCOZEQ-UHFFFAOYSA-N -1 1 292.324 1.860 20 0 CDADMM OC[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000095168089 606725338 /nfs/dbraw/zinc/72/53/38/606725338.db2.gz SPTNRXRFUVSBEM-LBPRGKRZSA-N -1 1 282.307 1.407 20 0 CDADMM OC[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000095168089 606725340 /nfs/dbraw/zinc/72/53/40/606725340.db2.gz SPTNRXRFUVSBEM-LBPRGKRZSA-N -1 1 282.307 1.407 20 0 CDADMM OCC1(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CCC1 ZINC000823715079 607132029 /nfs/dbraw/zinc/13/20/29/607132029.db2.gz RDQLTAXCSPKADP-UHFFFAOYSA-N -1 1 280.719 1.242 20 0 CDADMM OCC1(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CCC1 ZINC000823715079 607132031 /nfs/dbraw/zinc/13/20/31/607132031.db2.gz RDQLTAXCSPKADP-UHFFFAOYSA-N -1 1 280.719 1.242 20 0 CDADMM CC(C)C[C@@H]1COCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000824243671 607901339 /nfs/dbraw/zinc/90/13/39/607901339.db2.gz LREXLVLYWUHZNO-LLVKDONJSA-N -1 1 288.355 1.513 20 0 CDADMM CC(C)C[C@@H]1COCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000824243671 607901340 /nfs/dbraw/zinc/90/13/40/607901340.db2.gz LREXLVLYWUHZNO-LLVKDONJSA-N -1 1 288.355 1.513 20 0 CDADMM CCN(C[C@@H]1CCOC1)c1cccc(-c2nnn[n-]2)n1 ZINC000825415580 607903055 /nfs/dbraw/zinc/90/30/55/607903055.db2.gz CNIZHWVJYFFBHA-JTQLQIEISA-N -1 1 274.328 1.125 20 0 CDADMM CCN(C[C@@H]1CCOC1)c1cccc(-c2nn[n-]n2)n1 ZINC000825415580 607903056 /nfs/dbraw/zinc/90/30/56/607903056.db2.gz CNIZHWVJYFFBHA-JTQLQIEISA-N -1 1 274.328 1.125 20 0 CDADMM c1cc(SC2CCOCC2)nc(-c2nnn[n-]2)c1 ZINC000095163586 607905160 /nfs/dbraw/zinc/90/51/60/607905160.db2.gz RXPGMPCQEZFQEE-UHFFFAOYSA-N -1 1 263.326 1.533 20 0 CDADMM c1cc(SC2CCOCC2)nc(-c2nn[n-]n2)c1 ZINC000095163586 607905161 /nfs/dbraw/zinc/90/51/61/607905161.db2.gz RXPGMPCQEZFQEE-UHFFFAOYSA-N -1 1 263.326 1.533 20 0 CDADMM CCC(CC)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825097430 607997419 /nfs/dbraw/zinc/99/74/19/607997419.db2.gz WSORTFLTFQGXNT-UHFFFAOYSA-N -1 1 275.312 1.947 20 0 CDADMM CC(C)c1cc(-n2cnc(-c3nn[n-]n3)n2)nc(C(C)C)n1 ZINC000824342809 608047251 /nfs/dbraw/zinc/04/72/51/608047251.db2.gz UQQFWJLYVDYAHM-UHFFFAOYSA-N -1 1 299.342 1.484 20 0 CDADMM Cc1nc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cs1 ZINC000826326696 608201551 /nfs/dbraw/zinc/20/15/51/608201551.db2.gz ADLDRQXLIZHBCL-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1nc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cs1 ZINC000826326696 608201552 /nfs/dbraw/zinc/20/15/52/608201552.db2.gz ADLDRQXLIZHBCL-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]2c2ccncc2)c1 ZINC000826514286 608399633 /nfs/dbraw/zinc/39/96/33/608399633.db2.gz MVMLIWUOGOHYLM-CYBMUJFWSA-N -1 1 293.334 1.998 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]2c2ccncc2)c1 ZINC000826514286 608399635 /nfs/dbraw/zinc/39/96/35/608399635.db2.gz MVMLIWUOGOHYLM-CYBMUJFWSA-N -1 1 293.334 1.998 20 0 CDADMM C[C@H]1CC(Nc2ccc(-c3nnn[n-]3)nn2)C[C@H](C)O1 ZINC000824893965 608444557 /nfs/dbraw/zinc/44/45/57/608444557.db2.gz WBTDRAKMGINBDD-YUMQZZPRSA-N -1 1 275.316 1.025 20 0 CDADMM C[C@H]1CC(Nc2ccc(-c3nn[n-]n3)nn2)C[C@H](C)O1 ZINC000824893965 608444559 /nfs/dbraw/zinc/44/45/59/608444559.db2.gz WBTDRAKMGINBDD-YUMQZZPRSA-N -1 1 275.316 1.025 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCCCn1cccn1 ZINC000826280782 608543103 /nfs/dbraw/zinc/54/31/03/608543103.db2.gz PFUOBNNNKIUFBP-UHFFFAOYSA-N -1 1 284.327 1.269 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H]1CCC[C@H]1O ZINC000826280871 608546515 /nfs/dbraw/zinc/54/65/15/608546515.db2.gz UHLXILMFZPBOCF-MWLCHTKSSA-N -1 1 274.328 1.143 20 0 CDADMM COC(=O)C(C)(C)N(C)Cc1ccc(-c2nn[n-]n2)s1 ZINC000826098632 608674958 /nfs/dbraw/zinc/67/49/58/608674958.db2.gz KKJPRAYSDSHDBP-UHFFFAOYSA-N -1 1 295.368 1.312 20 0 CDADMM O=c1nc(N[C@@H]2CCN(CC(F)F)C2)cc(Cl)[n-]1 ZINC000858571300 617198643 /nfs/dbraw/zinc/19/86/43/617198643.db2.gz ACUVQEHTNPZDAV-ZCFIWIBFSA-N -1 1 278.690 1.587 20 0 CDADMM Cc1cnc(C(=O)N2CCOC[C@@]2(C)C2CC2)c([O-])c1 ZINC000890588258 617222942 /nfs/dbraw/zinc/22/29/42/617222942.db2.gz NLQNDJRMWGIIOQ-HNNXBMFYSA-N -1 1 276.336 1.737 20 0 CDADMM CCCC(=O)N1C[C@H](NC(=O)c2ncccc2[O-])[C@@H](C)C1 ZINC000966089952 614868535 /nfs/dbraw/zinc/86/85/35/614868535.db2.gz UIWJOWZIGRUFMR-QWRGUYRKSA-N -1 1 291.351 1.164 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@@H]1CCSC1 ZINC000891621097 617508587 /nfs/dbraw/zinc/50/85/87/617508587.db2.gz 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629397325 /nfs/dbraw/zinc/39/73/25/629397325.db2.gz SRZZFUXLRSQDFV-LLVKDONJSA-N -1 1 279.340 1.535 20 0 CDADMM CCCN(C(=O)CCCCc1c[nH]nn1)[C@@H](C)C(=O)[O-] ZINC000911713952 629429570 /nfs/dbraw/zinc/42/95/70/629429570.db2.gz NIHNTVIDQDYCLY-JTQLQIEISA-N -1 1 282.344 1.229 20 0 CDADMM CCCN(C(=O)[C@@H](C)Cc1cnc[nH]1)[C@H](C)C(=O)[O-] ZINC000911702095 629449717 /nfs/dbraw/zinc/44/97/17/629449717.db2.gz XYULIBQSUKGMAD-VHSXEESVSA-N -1 1 267.329 1.300 20 0 CDADMM CC(C)(CCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1)C1CC1 ZINC000911757114 629502179 /nfs/dbraw/zinc/50/21/79/629502179.db2.gz XYSJDFPDDQYDHA-GFCCVEGCSA-N -1 1 296.411 1.726 20 0 CDADMM C[C@@H]1C(=O)N([N-]C(=O)c2sccc2C2CC2)C(=O)N1C ZINC000912825023 630231615 /nfs/dbraw/zinc/23/16/15/630231615.db2.gz ZSCOLXNROAFGGI-SSDOTTSWSA-N -1 1 293.348 1.553 20 0 CDADMM CCCC(C)=CC(=O)N[C@@H](CCSC)c1nn[n-]n1 ZINC000912860608 630248425 /nfs/dbraw/zinc/24/84/25/630248425.db2.gz RQGMZNDOSVUVQD-DDXVTDLHSA-N -1 1 283.401 1.857 20 0 CDADMM CCC/C(C)=C/C(=O)N[C@@H](CCSC)c1nn[n-]n1 ZINC000912860608 630248433 /nfs/dbraw/zinc/24/84/33/630248433.db2.gz RQGMZNDOSVUVQD-DDXVTDLHSA-N -1 1 283.401 1.857 20 0 CDADMM CSCC[C@H](NC(=O)c1ccccc1C)c1nn[n-]n1 ZINC000912860295 630249316 /nfs/dbraw/zinc/24/93/16/630249316.db2.gz RNSDABAUTFOATL-NSHDSACASA-N -1 1 291.380 1.732 20 0 CDADMM CC[C@H](C)CC(=O)N[C@@H](CCSC)c1nn[n-]n1 ZINC000912862566 630251051 /nfs/dbraw/zinc/25/10/51/630251051.db2.gz QHWLDMBUIXOHIA-IUCAKERBSA-N -1 1 271.390 1.546 20 0 CDADMM CCc1[nH]ccc1C(=O)N[C@@H](CCSC)c1nn[n-]n1 ZINC000912861852 630251074 /nfs/dbraw/zinc/25/10/74/630251074.db2.gz AITGNTUABJQMON-JTQLQIEISA-N -1 1 294.384 1.314 20 0 CDADMM O=C([N-]S(=O)(=O)C1CCCC1)c1cccc2cn[nH]c21 ZINC000151198563 630401234 /nfs/dbraw/zinc/40/12/34/630401234.db2.gz PUXSKOSKXULJON-UHFFFAOYSA-N -1 1 293.348 1.565 20 0 CDADMM COC(=O)/C=C(/C)CSc1ncc(C)c(=O)[n-]1 ZINC000917778381 632280085 /nfs/dbraw/zinc/28/00/85/632280085.db2.gz RCUFBETXWDSAIV-DAXSKMNVSA-N -1 1 254.311 1.702 20 0 CDADMM O=c1[n-]c2nc(=O)[nH]c(Nc3ncccc3C(F)F)c2[nH]1 ZINC001170216447 1162301847 /nfs/dbraw/zinc/30/18/47/1162301847.db2.gz CQHFPEUFVOBUMC-UHFFFAOYSA-N -1 1 294.221 1.792 20 0 CDADMM Cc1[nH]c2nc[nH+]c(NCCOP(=O)([O-])[O-])c2c1C ZINC001157791041 1162425528 /nfs/dbraw/zinc/42/55/28/1162425528.db2.gz HHEVYENFABFTRZ-UHFFFAOYSA-N -1 1 286.228 1.096 20 0 CDADMM O=C(c1c([O-])cccc1Cl)N(CCO)CC(F)F ZINC000794052894 1162457501 /nfs/dbraw/zinc/45/75/01/1162457501.db2.gz DKHWSMFOOLSPOU-UHFFFAOYSA-N -1 1 279.670 1.745 20 0 CDADMM [O-]c1c(F)cc(CN2CCn3cnnc3C2)cc1F ZINC000211407793 1158517465 /nfs/dbraw/zinc/51/74/65/1158517465.db2.gz JOIIQZQGTVQFBU-UHFFFAOYSA-N -1 1 266.251 1.278 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cnc2ccsc2c1 ZINC001648816499 1158577067 /nfs/dbraw/zinc/57/70/67/1158577067.db2.gz XFOZOQPEIQGANL-UHFFFAOYSA-N -1 1 260.278 1.977 20 0 CDADMM C[C@@H](C[N@@H+](C)[C@H](C(=O)OC(C)(C)C)C1CC1)C(=O)[O-] ZINC001604158169 1163107375 /nfs/dbraw/zinc/10/73/75/1163107375.db2.gz 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/nfs/dbraw/zinc/43/28/70/1161432870.db2.gz PPGBDRVMBDJNAZ-UHFFFAOYSA-N -1 1 284.344 1.948 20 0 CDADMM CC[C@@H]1C[C@H]1Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001604491391 1163206581 /nfs/dbraw/zinc/20/65/81/1163206581.db2.gz VMHDMUPPRCIGOI-KOLCDFICSA-N -1 1 285.351 1.563 20 0 CDADMM CC1(C(=O)[O-])CN(Cc2scnc2C2CC2)C1 ZINC001604503391 1163209710 /nfs/dbraw/zinc/20/97/10/1163209710.db2.gz RWJLMKIINVJYPY-UHFFFAOYSA-N -1 1 252.339 1.927 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCS[C@H](C)C2)n1 ZINC001604547283 1163226941 /nfs/dbraw/zinc/22/69/41/1163226941.db2.gz LNSOSNCXJLKCOO-MRVPVSSYSA-N -1 1 291.384 1.161 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCS[C@H](C)C2)n1 ZINC001604547283 1163226944 /nfs/dbraw/zinc/22/69/44/1163226944.db2.gz LNSOSNCXJLKCOO-MRVPVSSYSA-N -1 1 291.384 1.161 20 0 CDADMM CCc1nc(N[C@@H]2CC23CC3)cc(-c2nnn[n-]2)n1 ZINC001604558326 1163229785 /nfs/dbraw/zinc/22/97/85/1163229785.db2.gz BDTCAVCQNDIQGJ-MRVPVSSYSA-N -1 1 257.301 1.184 20 0 CDADMM CCc1nc(N[C@@H]2CC23CC3)cc(-c2nn[n-]n2)n1 ZINC001604558326 1163229788 /nfs/dbraw/zinc/22/97/88/1163229788.db2.gz BDTCAVCQNDIQGJ-MRVPVSSYSA-N -1 1 257.301 1.184 20 0 CDADMM CN(CCc1ccc(F)cc1)c1cnc(-c2nnn[n-]2)cn1 ZINC001604788137 1163324812 /nfs/dbraw/zinc/32/48/12/1163324812.db2.gz XGSLVUQFMOBKCV-UHFFFAOYSA-N -1 1 299.313 1.475 20 0 CDADMM CN(CCc1ccc(F)cc1)c1cnc(-c2nn[n-]n2)cn1 ZINC001604788137 1163324821 /nfs/dbraw/zinc/32/48/21/1163324821.db2.gz XGSLVUQFMOBKCV-UHFFFAOYSA-N -1 1 299.313 1.475 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)Nc1ccccn1 ZINC001604792680 1163326495 /nfs/dbraw/zinc/32/64/95/1163326495.db2.gz BLISKWDADFMAPI-NSHDSACASA-N -1 1 292.339 1.094 20 0 CDADMM C[C@@H]1OCC[C@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001604835015 1163346726 /nfs/dbraw/zinc/34/67/26/1163346726.db2.gz PBRXUSCDXACXKA-JGVFFNPUSA-N -1 1 289.291 1.625 20 0 CDADMM COc1ccc(C=O)cc1Oc1cncc(-c2nnn[n-]2)n1 ZINC001605270125 1163508876 /nfs/dbraw/zinc/50/88/76/1163508876.db2.gz POFKKWGXVFFHMW-UHFFFAOYSA-N -1 1 298.262 1.270 20 0 CDADMM COc1ccc(C=O)cc1Oc1cncc(-c2nn[n-]n2)n1 ZINC001605270125 1163508881 /nfs/dbraw/zinc/50/88/81/1163508881.db2.gz POFKKWGXVFFHMW-UHFFFAOYSA-N -1 1 298.262 1.270 20 0 CDADMM CCOC(=O)CN(CCCCC(=O)[O-])CC(C)C ZINC001605539657 1163603136 /nfs/dbraw/zinc/60/31/36/1163603136.db2.gz WKVUSDFBGIXPRI-UHFFFAOYSA-N -1 1 259.346 1.762 20 0 CDADMM CCO[C@@H]1COC[C@H]1NCc1cc(C(=O)[O-])oc1C ZINC001605651700 1163634337 /nfs/dbraw/zinc/63/43/37/1163634337.db2.gz PGKFWCFHESMUDC-ZYHUDNBSSA-N -1 1 269.297 1.180 20 0 CDADMM Cc1cc(COC(=O)c2cc(-c3nnn[n-]3)oc2C)no1 ZINC001605663735 1163638357 /nfs/dbraw/zinc/63/83/57/1163638357.db2.gz RDYPZOPUDZPSKT-UHFFFAOYSA-N -1 1 289.251 1.422 20 0 CDADMM Cc1cc(COC(=O)c2cc(-c3nn[n-]n3)oc2C)no1 ZINC001605663735 1163638362 /nfs/dbraw/zinc/63/83/62/1163638362.db2.gz RDYPZOPUDZPSKT-UHFFFAOYSA-N -1 1 289.251 1.422 20 0 CDADMM Cc1cc(Cn2ccc(-c3nn[n-]n3)cc2=O)cs1 ZINC001605672000 1163641096 /nfs/dbraw/zinc/64/10/96/1163641096.db2.gz ZASZVWSVUGRYDD-UHFFFAOYSA-N -1 1 273.321 1.447 20 0 CDADMM CCS(=O)(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001605730761 1163654453 /nfs/dbraw/zinc/65/44/53/1163654453.db2.gz GIKITCUHWFINCZ-UHFFFAOYSA-N -1 1 269.282 1.023 20 0 CDADMM Cc1cc(NC[C@H]2CCOC2(C)C)nc(-c2nnn[n-]2)c1 ZINC001605732896 1163655774 /nfs/dbraw/zinc/65/57/74/1163655774.db2.gz XOGVBYRMOBPIGF-SNVBAGLBSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(NC[C@H]2CCOC2(C)C)nc(-c2nn[n-]n2)c1 ZINC001605732896 1163655779 /nfs/dbraw/zinc/65/57/79/1163655779.db2.gz XOGVBYRMOBPIGF-SNVBAGLBSA-N -1 1 288.355 1.797 20 0 CDADMM CCc1nc([C@@H](C)N2CCSC[C@H](C(=O)[O-])C2)n[nH]1 ZINC001605842455 1163682763 /nfs/dbraw/zinc/68/27/63/1163682763.db2.gz MAVRNZSBJPZGMM-RKDXNWHRSA-N -1 1 284.385 1.178 20 0 CDADMM Cc1ccc(N[C@@H](C)C[C@H]2CCOC2)c(-c2nnn[n-]2)n1 ZINC001605871947 1163699972 /nfs/dbraw/zinc/69/99/72/1163699972.db2.gz OPIDLTQMNBVXRG-WDEREUQCSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(N[C@@H](C)C[C@H]2CCOC2)c(-c2nn[n-]n2)n1 ZINC001605871947 1163699979 /nfs/dbraw/zinc/69/99/79/1163699979.db2.gz OPIDLTQMNBVXRG-WDEREUQCSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cccc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001605919982 1163715020 /nfs/dbraw/zinc/71/50/20/1163715020.db2.gz VATXKUPCVLDTBW-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1cccc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001605919982 1163715029 /nfs/dbraw/zinc/71/50/29/1163715029.db2.gz VATXKUPCVLDTBW-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCc1ccco1 ZINC001606168312 1163796499 /nfs/dbraw/zinc/79/64/99/1163796499.db2.gz GNZPZNJGMJPRAO-UHFFFAOYSA-N -1 1 287.279 1.334 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCc1ccco1 ZINC001606168312 1163796508 /nfs/dbraw/zinc/79/65/08/1163796508.db2.gz GNZPZNJGMJPRAO-UHFFFAOYSA-N -1 1 287.279 1.334 20 0 CDADMM FC(F)(F)CC1CN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001606288065 1163838371 /nfs/dbraw/zinc/83/83/71/1163838371.db2.gz UOSLVKBFSVVSKO-UHFFFAOYSA-N -1 1 284.245 1.650 20 0 CDADMM FC(F)(F)CC1CN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001606288065 1163838377 /nfs/dbraw/zinc/83/83/77/1163838377.db2.gz UOSLVKBFSVVSKO-UHFFFAOYSA-N -1 1 284.245 1.650 20 0 CDADMM FC1(F)CCCN(Cc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001606300131 1163846161 /nfs/dbraw/zinc/84/61/61/1163846161.db2.gz QMAGQTVVNQKTKP-UHFFFAOYSA-N -1 1 280.282 1.493 20 0 CDADMM FC1(F)CCCN(Cc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001606300131 1163846165 /nfs/dbraw/zinc/84/61/65/1163846165.db2.gz QMAGQTVVNQKTKP-UHFFFAOYSA-N -1 1 280.282 1.493 20 0 CDADMM Fc1cccc(F)c1COc1cnc(-c2nn[n-]n2)nc1 ZINC001606328376 1163862741 /nfs/dbraw/zinc/86/27/41/1163862741.db2.gz MDLMIDQPTVKURF-UHFFFAOYSA-N -1 1 290.233 1.514 20 0 CDADMM COC(=O)CCN1CCc2ccc(C(=O)[O-])cc2C1 ZINC001606454605 1163908485 /nfs/dbraw/zinc/90/84/85/1163908485.db2.gz CPMSQCHJNPIPGA-UHFFFAOYSA-N -1 1 263.293 1.306 20 0 CDADMM O=C(COc1cccnc1-c1nnn[n-]1)Nc1ccccc1 ZINC001606579411 1163932932 /nfs/dbraw/zinc/93/29/32/1163932932.db2.gz KADAWQMFLAFAEI-UHFFFAOYSA-N -1 1 296.290 1.279 20 0 CDADMM O=C(COc1cccnc1-c1nn[n-]n1)Nc1ccccc1 ZINC001606579411 1163932939 /nfs/dbraw/zinc/93/29/39/1163932939.db2.gz KADAWQMFLAFAEI-UHFFFAOYSA-N -1 1 296.290 1.279 20 0 CDADMM O=C(NCC1CC(F)(F)C1)c1cccc(-c2nnn[n-]2)n1 ZINC001606719104 1163970024 /nfs/dbraw/zinc/97/00/24/1163970024.db2.gz FCISIYHMCYMQSE-UHFFFAOYSA-N -1 1 294.265 1.037 20 0 CDADMM O=C(NCC1CC(F)(F)C1)c1cccc(-c2nn[n-]n2)n1 ZINC001606719104 1163970029 /nfs/dbraw/zinc/97/00/29/1163970029.db2.gz FCISIYHMCYMQSE-UHFFFAOYSA-N -1 1 294.265 1.037 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1C=CCCC1 ZINC001606943701 1164034090 /nfs/dbraw/zinc/03/40/90/1164034090.db2.gz FDICNSRHQSCDMX-SECBINFHSA-N -1 1 285.311 1.492 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1C=CCCC1 ZINC001606943701 1164034097 /nfs/dbraw/zinc/03/40/97/1164034097.db2.gz FDICNSRHQSCDMX-SECBINFHSA-N -1 1 285.311 1.492 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1C[C@@H]1C[C@H]1c1ccccc1 ZINC001607091701 1164075862 /nfs/dbraw/zinc/07/58/62/1164075862.db2.gz RGVWARDKHMJVAK-KBPBESRZSA-N -1 1 293.330 1.832 20 0 CDADMM c1cnn(C2(CNc3cccc(-c4nnn[n-]4)n3)CC2)c1 ZINC001607120548 1164103304 /nfs/dbraw/zinc/10/33/04/1164103304.db2.gz BPUYVJNARGOSFX-UHFFFAOYSA-N -1 1 282.311 1.059 20 0 CDADMM c1cnn(C2(CNc3cccc(-c4nn[n-]n4)n3)CC2)c1 ZINC001607120548 1164103305 /nfs/dbraw/zinc/10/33/05/1164103305.db2.gz BPUYVJNARGOSFX-UHFFFAOYSA-N -1 1 282.311 1.059 20 0 CDADMM c1ccc([C@@H]2C[C@@H]2Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001607129926 1164110309 /nfs/dbraw/zinc/11/03/09/1164110309.db2.gz WZAVNBGHLJXUTP-QWRGUYRKSA-N -1 1 279.307 1.047 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NC[C@@H]1CC2CCC1CC2 ZINC001607136208 1164114592 /nfs/dbraw/zinc/11/45/92/1164114592.db2.gz ADOHXUZCGYDJPK-ILDUYXDCSA-N -1 1 285.355 1.895 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NC[C@@H]1CC2CCC1CC2 ZINC001607136208 1164114596 /nfs/dbraw/zinc/11/45/96/1164114596.db2.gz ADOHXUZCGYDJPK-ILDUYXDCSA-N -1 1 285.355 1.895 20 0 CDADMM c1sc(CN2CC3(CCC3)C2)nc1-c1nnn[n-]1 ZINC001607138653 1164118699 /nfs/dbraw/zinc/11/86/99/1164118699.db2.gz XLXFFGKDXVISJH-UHFFFAOYSA-N -1 1 262.342 1.309 20 0 CDADMM c1sc(CN2CC3(CCC3)C2)nc1-c1nn[n-]n1 ZINC001607138653 1164118702 /nfs/dbraw/zinc/11/87/02/1164118702.db2.gz XLXFFGKDXVISJH-UHFFFAOYSA-N -1 1 262.342 1.309 20 0 CDADMM c1ncc(N2CC[C@@H](C3CCC3)C2)nc1-c1nnn[n-]1 ZINC001607138216 1164118798 /nfs/dbraw/zinc/11/87/98/1164118798.db2.gz DDZFTXQLCFVKMV-SNVBAGLBSA-N -1 1 271.328 1.283 20 0 CDADMM c1ncc(N2CC[C@@H](C3CCC3)C2)nc1-c1nn[n-]n1 ZINC001607138216 1164118804 /nfs/dbraw/zinc/11/88/04/1164118804.db2.gz DDZFTXQLCFVKMV-SNVBAGLBSA-N -1 1 271.328 1.283 20 0 CDADMM COc1ccc(NC(=O)[C@@H](N)COC(C)C)c(C(=O)[O-])c1 ZINC001607274662 1164140582 /nfs/dbraw/zinc/14/05/82/1164140582.db2.gz XXVZIPFEIMSIJJ-NSHDSACASA-N -1 1 296.323 1.084 20 0 CDADMM COc1ccccc1[C@H](OC(=O)c1[nH]cnc1C)C(=O)[O-] ZINC001607339565 1164151363 /nfs/dbraw/zinc/15/13/63/1164151363.db2.gz JRASBDYLBYFBGH-LBPRGKRZSA-N -1 1 290.275 1.709 20 0 CDADMM COc1nccc(CN2CCC[C@](C)(C(=O)[O-])C2)c1F ZINC001607360598 1164158942 /nfs/dbraw/zinc/15/89/42/1164158942.db2.gz KDXAZESSDLRALT-AWEZNQCLSA-N -1 1 282.315 1.916 20 0 CDADMM C[C@H](C(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-])N(C)C ZINC001607449029 1164184960 /nfs/dbraw/zinc/18/49/60/1164184960.db2.gz FIPLGYPAQNKWCQ-XBFCOCLRSA-N -1 1 296.411 1.819 20 0 CDADMM C[C@H]1CN(C(=O)[C@H]2CCCc3[nH]ncc32)C[C@]1(C)C(=O)[O-] ZINC001607468585 1164192457 /nfs/dbraw/zinc/19/24/57/1164192457.db2.gz NUOFHYLXDQATRQ-YHAQOWFVSA-N -1 1 291.351 1.399 20 0 CDADMM C[C@H]1CN(Cc2cnc(Cl)n2C)CC[C@H]1C(=O)[O-] ZINC001607477006 1164196935 /nfs/dbraw/zinc/19/69/35/1164196935.db2.gz QBZDRKFPYUPKAB-WCBMZHEXSA-N -1 1 271.748 1.616 20 0 CDADMM Cc1occc1C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000345465654 1164341150 /nfs/dbraw/zinc/34/11/50/1164341150.db2.gz KTQJDDPHNBHHKP-UHFFFAOYSA-N -1 1 299.290 1.932 20 0 CDADMM Cn1c(CN2CC3(C2)CCOCC3)ccc1C(=O)[O-] ZINC001608085458 1164404174 /nfs/dbraw/zinc/40/41/74/1164404174.db2.gz FKXXKPPHOAROQM-UHFFFAOYSA-N -1 1 264.325 1.336 20 0 CDADMM Cn1cc(CN2CCO[C@H](C(F)F)CC2)cc1C(=O)[O-] ZINC001608112118 1164411640 /nfs/dbraw/zinc/41/16/40/1164411640.db2.gz TVFCAYKOWVPVSQ-NSHDSACASA-N -1 1 288.294 1.579 20 0 CDADMM O=C([O-])CCN1CC[C@@H](Nc2ccc3cnccc3c2)C1=O ZINC001608724739 1164622197 /nfs/dbraw/zinc/62/21/97/1164622197.db2.gz UXDBRRWDBVBSKT-CQSZACIVSA-N -1 1 299.330 1.722 20 0 CDADMM O=C([O-])c1ccc(C(=O)NCc2ccc3nc[nH]c3c2)[nH]1 ZINC001608874687 1164669013 /nfs/dbraw/zinc/66/90/13/1164669013.db2.gz WWHPPBUGHNIMBP-UHFFFAOYSA-N -1 1 284.275 1.519 20 0 CDADMM O=C([O-])c1ccc(C(=O)NCc2ccc3cncn3c2)cc1 ZINC001608874597 1164669120 /nfs/dbraw/zinc/66/91/20/1164669120.db2.gz METIDEHFJSOASO-UHFFFAOYSA-N -1 1 295.298 1.963 20 0 CDADMM CC(=Cc1cncnc1)c1nc(C)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC001609060424 1164753986 /nfs/dbraw/zinc/75/39/86/1164753986.db2.gz LKFKMXXXCDQYIJ-XVNBXDOJSA-N -1 1 296.294 1.021 20 0 CDADMM C[C@@H](CN(C)c1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001609112266 1164775849 /nfs/dbraw/zinc/77/58/49/1164775849.db2.gz ZCOYJFZIULQTHZ-NSHDSACASA-N -1 1 295.350 1.897 20 0 CDADMM C[C@@H](CN(C)c1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001609112266 1164775857 /nfs/dbraw/zinc/77/58/57/1164775857.db2.gz ZCOYJFZIULQTHZ-NSHDSACASA-N -1 1 295.350 1.897 20 0 CDADMM CC1(C)C[C@@H]1CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609144716 1164792609 /nfs/dbraw/zinc/79/26/09/1164792609.db2.gz KRTXOSGGKHELHC-SECBINFHSA-N -1 1 272.312 1.038 20 0 CDADMM CC1(C)C[C@@H]1CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609144716 1164792616 /nfs/dbraw/zinc/79/26/16/1164792616.db2.gz KRTXOSGGKHELHC-SECBINFHSA-N -1 1 272.312 1.038 20 0 CDADMM CN(C)c1ccccc1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001609270168 1164873489 /nfs/dbraw/zinc/87/34/89/1164873489.db2.gz CFBIOPACHGVNCP-UHFFFAOYSA-N -1 1 296.338 1.335 20 0 CDADMM CN(C)c1ccccc1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001609270168 1164873495 /nfs/dbraw/zinc/87/34/95/1164873495.db2.gz CFBIOPACHGVNCP-UHFFFAOYSA-N -1 1 296.338 1.335 20 0 CDADMM CO[C@@H](C)CCC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001609308606 1164887884 /nfs/dbraw/zinc/88/78/84/1164887884.db2.gz PHGUAYNKJPMEEN-LURJTMIESA-N -1 1 296.356 1.385 20 0 CDADMM CO[C@@H](C)CCC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001609308606 1164887891 /nfs/dbraw/zinc/88/78/91/1164887891.db2.gz PHGUAYNKJPMEEN-LURJTMIESA-N -1 1 296.356 1.385 20 0 CDADMM CO[C@H](CNc1cc(-c2nnn[n-]2)ncn1)c1ccccc1 ZINC001609310192 1164889935 /nfs/dbraw/zinc/88/99/35/1164889935.db2.gz DCZAHOGEJTVENA-GFCCVEGCSA-N -1 1 297.322 1.456 20 0 CDADMM CO[C@H](CNc1cc(-c2nn[n-]n2)ncn1)c1ccccc1 ZINC001609310192 1164889941 /nfs/dbraw/zinc/88/99/41/1164889941.db2.gz DCZAHOGEJTVENA-GFCCVEGCSA-N -1 1 297.322 1.456 20 0 CDADMM COCC(C)(C)CCCNc1cncc(-c2nnn[n-]2)n1 ZINC001609316374 1164892720 /nfs/dbraw/zinc/89/27/20/1164892720.db2.gz WAWVXLAFRAVUMP-UHFFFAOYSA-N -1 1 291.359 1.521 20 0 CDADMM COCC(C)(C)CCCNc1cncc(-c2nn[n-]n2)n1 ZINC001609316374 1164892729 /nfs/dbraw/zinc/89/27/29/1164892729.db2.gz WAWVXLAFRAVUMP-UHFFFAOYSA-N -1 1 291.359 1.521 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]2c2ncc[nH]2)n1 ZINC001609391732 1164923390 /nfs/dbraw/zinc/92/33/90/1164923390.db2.gz TVPILMLPVXMHJZ-SNVBAGLBSA-N -1 1 297.326 1.030 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]2c2ncc[nH]2)n1 ZINC001609391732 1164923395 /nfs/dbraw/zinc/92/33/95/1164923395.db2.gz TVPILMLPVXMHJZ-SNVBAGLBSA-N -1 1 297.326 1.030 20 0 CDADMM Cc1cc(N[C@H](C)C[C@H](C)O)cc(-c2nnn[n-]2)n1 ZINC001609408767 1164934751 /nfs/dbraw/zinc/93/47/51/1164934751.db2.gz KPMJQIJXHCVGLD-APPZFPTMSA-N -1 1 262.317 1.141 20 0 CDADMM Cc1cc(N[C@H](C)C[C@H](C)O)cc(-c2nn[n-]n2)n1 ZINC001609408767 1164934757 /nfs/dbraw/zinc/93/47/57/1164934757.db2.gz KPMJQIJXHCVGLD-APPZFPTMSA-N -1 1 262.317 1.141 20 0 CDADMM Cc1cc(NCc2ccccn2)cc(-c2nnn[n-]2)n1 ZINC001609410513 1164936703 /nfs/dbraw/zinc/93/67/03/1164936703.db2.gz KFCWUGFEHPKEIA-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1cc(NCc2ccccn2)cc(-c2nn[n-]n2)n1 ZINC001609410513 1164936709 /nfs/dbraw/zinc/93/67/09/1164936709.db2.gz KFCWUGFEHPKEIA-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1ccc(N[C@@H](CO)C2CCCC2)nc1-c1nnn[n-]1 ZINC001609426378 1164941771 /nfs/dbraw/zinc/94/17/71/1164941771.db2.gz QFDZWCPYECPIPR-NSHDSACASA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(N[C@@H](CO)C2CCCC2)nc1-c1nn[n-]n1 ZINC001609426378 1164941777 /nfs/dbraw/zinc/94/17/77/1164941777.db2.gz QFDZWCPYECPIPR-NSHDSACASA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(NCc2cccc(F)n2)nc1-c1nnn[n-]1 ZINC001609426445 1164942453 /nfs/dbraw/zinc/94/24/53/1164942453.db2.gz TWYNRSCQHOHFQB-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1ccc(NCc2cccc(F)n2)nc1-c1nn[n-]n1 ZINC001609426445 1164942458 /nfs/dbraw/zinc/94/24/58/1164942458.db2.gz TWYNRSCQHOHFQB-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1cnccc1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609441780 1164949529 /nfs/dbraw/zinc/94/95/29/1164949529.db2.gz RHTXMHWJLNXJPC-UHFFFAOYSA-N -1 1 298.281 1.383 20 0 CDADMM Cc1cnccc1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609441780 1164949533 /nfs/dbraw/zinc/94/95/33/1164949533.db2.gz RHTXMHWJLNXJPC-UHFFFAOYSA-N -1 1 298.281 1.383 20 0 CDADMM C[C@H]1CC[C@H](C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC001609477731 1164966620 /nfs/dbraw/zinc/96/66/20/1164966620.db2.gz ZCDDWHLOFGJIPJ-KYZUINATSA-N -1 1 289.343 1.365 20 0 CDADMM C[C@H]1CC[C@H](C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC001609477731 1164966627 /nfs/dbraw/zinc/96/66/27/1164966627.db2.gz ZCDDWHLOFGJIPJ-KYZUINATSA-N -1 1 289.343 1.365 20 0 CDADMM FC(F)C1(NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001609485610 1164970782 /nfs/dbraw/zinc/97/07/82/1164970782.db2.gz NWYHISKVKNJOEE-UHFFFAOYSA-N -1 1 272.284 1.211 20 0 CDADMM FC(F)C1(NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001609485610 1164970785 /nfs/dbraw/zinc/97/07/85/1164970785.db2.gz NWYHISKVKNJOEE-UHFFFAOYSA-N -1 1 272.284 1.211 20 0 CDADMM Fc1cccc(OCC[C@@H]2CCCO2)c1-c1nnn[n-]1 ZINC001609492191 1164974729 /nfs/dbraw/zinc/97/47/29/1164974729.db2.gz KNVQXIRYLCDZKI-VIFPVBQESA-N -1 1 278.287 1.954 20 0 CDADMM Fc1cccc(OCC[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC001609492191 1164974735 /nfs/dbraw/zinc/97/47/35/1164974735.db2.gz KNVQXIRYLCDZKI-VIFPVBQESA-N -1 1 278.287 1.954 20 0 CDADMM c1ccc2c(c1)CC[C@@H](Nc1cnc(-c3nnn[n-]3)cn1)C2 ZINC001609618098 1165011665 /nfs/dbraw/zinc/01/16/65/1165011665.db2.gz QEYSDWNJNQYQLW-GFCCVEGCSA-N -1 1 293.334 1.626 20 0 CDADMM c1ccc2c(c1)CC[C@@H](Nc1cnc(-c3nn[n-]n3)cn1)C2 ZINC001609618098 1165011672 /nfs/dbraw/zinc/01/16/72/1165011672.db2.gz QEYSDWNJNQYQLW-GFCCVEGCSA-N -1 1 293.334 1.626 20 0 CDADMM c1coc([C@H]2CN(c3ccnc(-c4nnn[n-]4)c3)CCO2)c1 ZINC001609619764 1165014980 /nfs/dbraw/zinc/01/49/80/1165014980.db2.gz BJXXMLXXMSGHTB-CYBMUJFWSA-N -1 1 298.306 1.433 20 0 CDADMM c1coc([C@H]2CN(c3ccnc(-c4nn[n-]n4)c3)CCO2)c1 ZINC001609619764 1165014983 /nfs/dbraw/zinc/01/49/83/1165014983.db2.gz BJXXMLXXMSGHTB-CYBMUJFWSA-N -1 1 298.306 1.433 20 0 CDADMM c1ncc(N2CCC[C@@H]3CCC[C@@H]32)nc1-c1nnn[n-]1 ZINC001609620898 1165017645 /nfs/dbraw/zinc/01/76/45/1165017645.db2.gz IPWGVXCDKXUMBU-ONGXEEELSA-N -1 1 271.328 1.426 20 0 CDADMM c1ncc(N2CCC[C@@H]3CCC[C@@H]32)nc1-c1nn[n-]n1 ZINC001609620898 1165017649 /nfs/dbraw/zinc/01/76/49/1165017649.db2.gz IPWGVXCDKXUMBU-ONGXEEELSA-N -1 1 271.328 1.426 20 0 CDADMM C[C@@H]1OCC[C@@]12CN([C@@H](C(=O)[O-])c1cccnc1)CCO2 ZINC001609880466 1165128114 /nfs/dbraw/zinc/12/81/14/1165128114.db2.gz XBCWACNLWHLEHM-NJZAAPMLSA-N -1 1 292.335 1.087 20 0 CDADMM CC[C@H]1CCCCN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001609951264 1165159757 /nfs/dbraw/zinc/15/97/57/1165159757.db2.gz IQPPLPBJRSLPHX-NSHDSACASA-N -1 1 291.351 1.983 20 0 CDADMM CN(Cc1ccoc1C(=O)[O-])Cc1ccc(C(N)=O)cc1 ZINC001610120891 1165223884 /nfs/dbraw/zinc/22/38/84/1165223884.db2.gz JHBLNRHDKRMFRJ-UHFFFAOYSA-N -1 1 288.303 1.709 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)c3cocn3)[nH]c21 ZINC001610712968 1165411417 /nfs/dbraw/zinc/41/14/17/1165411417.db2.gz SGIMJILYLOEJPJ-UHFFFAOYSA-N -1 1 272.220 1.501 20 0 CDADMM O=C([O-])COc1ccc(-c2nc([C@@H]3CCCN3)no2)cc1 ZINC001610785286 1165441382 /nfs/dbraw/zinc/44/13/82/1165441382.db2.gz XREAGYRIESXHLF-NSHDSACASA-N -1 1 289.291 1.625 20 0 CDADMM O=C([O-])c1cccc(C(=O)Nc2n[nH]c3cc(O)ccc32)n1 ZINC001610845210 1165459754 /nfs/dbraw/zinc/45/97/54/1165459754.db2.gz MZNIVCYEYXQGEN-UHFFFAOYSA-N -1 1 298.258 1.614 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)[C@H]3CCCO3)[nH]c21 ZINC001610850263 1165461197 /nfs/dbraw/zinc/46/11/97/1165461197.db2.gz YCICMKXDDLTWOL-SECBINFHSA-N -1 1 275.264 1.379 20 0 CDADMM Cn1cc(-c2nc(C(=O)Nc3c[n-][nH]c3=O)cs2)cn1 ZINC001611373589 1165490913 /nfs/dbraw/zinc/49/09/13/1165490913.db2.gz BERORODWDHDQAM-UHFFFAOYSA-N -1 1 290.308 1.225 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cc2nccnc2cc1F ZINC001611380530 1165491960 /nfs/dbraw/zinc/49/19/60/1165491960.db2.gz VYMUZGQMHWLQKJ-UHFFFAOYSA-N -1 1 273.227 1.450 20 0 CDADMM CCNC(=O)Nc1nc(Br)ccc1[O-] ZINC001202536692 1165511492 /nfs/dbraw/zinc/51/14/92/1165511492.db2.gz NSFDULSHYRBCBU-UHFFFAOYSA-N -1 1 260.091 1.691 20 0 CDADMM CN(C(=O)C/C=C/c1ccc(F)cc1)c1nn[n-]n1 ZINC001617642228 1165603662 /nfs/dbraw/zinc/60/36/62/1165603662.db2.gz MOVVNEKUJOVPMP-NSCUHMNNSA-N -1 1 261.260 1.405 20 0 CDADMM CC(C)c1cc([N-]C(=O)c2cc(CO)on2)no1 ZINC001620558267 1165658733 /nfs/dbraw/zinc/65/87/33/1165658733.db2.gz KSSQOQGKZCICAY-UHFFFAOYSA-N -1 1 251.242 1.531 20 0 CDADMM Cc1nnc(C[N-]S(=O)(=O)c2cccc(Cl)c2)o1 ZINC000041134098 1165994166 /nfs/dbraw/zinc/99/41/66/1165994166.db2.gz NQIHAVDPIWHUFX-UHFFFAOYSA-N -1 1 287.728 1.510 20 0 CDADMM Cc1noc(CNC(=O)c2ccc(F)c([O-])c2)n1 ZINC001632927149 1166386377 /nfs/dbraw/zinc/38/63/77/1166386377.db2.gz YEIXHMNTMQWBON-UHFFFAOYSA-N -1 1 251.217 1.153 20 0 CDADMM Cc1cccc(Oc2ccc(C(=O)Nc3nn[n-]n3)nc2)c1 ZINC001634297251 1166487198 /nfs/dbraw/zinc/48/71/98/1166487198.db2.gz OSXULGWIPXUPNP-UHFFFAOYSA-N -1 1 296.290 1.948 20 0 CDADMM O=S(=O)([N-]C1(CO)CCCC1)c1cc(F)ccc1F ZINC000053072441 1166838598 /nfs/dbraw/zinc/83/85/98/1166838598.db2.gz DBKMOTXRVTZGDT-UHFFFAOYSA-N -1 1 291.319 1.548 20 0 CDADMM CCC(CC)(NC(=O)[C@H]1CC[C@@H](C)C1)c1nn[n-]n1 ZINC001640154750 1166999631 /nfs/dbraw/zinc/99/96/31/1166999631.db2.gz HDCYRMKOVSMUDD-ZJUUUORDSA-N -1 1 265.361 1.767 20 0 CDADMM O=C(N[C@H]1CC12CCOCC2)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155270036 1167112832 /nfs/dbraw/zinc/11/28/32/1167112832.db2.gz YLJMUQOXCHIOTJ-LBPRGKRZSA-N -1 1 287.319 1.567 20 0 CDADMM CSc1ncc(C(=O)Nc2ccns2)c(=O)[n-]1 ZINC001641901632 1167145113 /nfs/dbraw/zinc/14/51/13/1167145113.db2.gz MSBRWUYLEDKMEM-UHFFFAOYSA-N -1 1 268.323 1.613 20 0 CDADMM NC(=O)c1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001239871253 1167404718 /nfs/dbraw/zinc/40/47/18/1167404718.db2.gz ILPQHWUZBXGCPI-UHFFFAOYSA-N -1 1 266.264 1.028 20 0 CDADMM NC(=O)c1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001239871253 1167404723 /nfs/dbraw/zinc/40/47/23/1167404723.db2.gz ILPQHWUZBXGCPI-UHFFFAOYSA-N -1 1 266.264 1.028 20 0 CDADMM CN(Cc1cccc(=O)[nH]1)C(=O)c1ccc([O-])cn1 ZINC001646467837 1167867909 /nfs/dbraw/zinc/86/79/09/1167867909.db2.gz HPZXZIWPOBOJGJ-UHFFFAOYSA-N -1 1 259.265 1.160 20 0 CDADMM O=C(c1c[nH]cc1C1CC1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001646984851 1168324595 /nfs/dbraw/zinc/32/45/95/1168324595.db2.gz UBERAFFEDVZIBS-VIFPVBQESA-N -1 1 272.312 1.035 20 0 CDADMM CC(C)CO[C@@H](C)C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001649691433 1169286631 /nfs/dbraw/zinc/28/66/31/1169286631.db2.gz JVLNSHXSTFAGTQ-JTQLQIEISA-N -1 1 296.319 1.885 20 0 CDADMM CCc1[nH]nc(NC(=O)N=c2ccnc3n(C)[n-]cc2-3)c1C ZINC001649803436 1169383531 /nfs/dbraw/zinc/38/35/31/1169383531.db2.gz XVKINFKLXVIUAR-UHFFFAOYSA-N -1 1 299.338 1.580 20 0 CDADMM C[C@H](C(=O)N(C)c1nn[n-]n1)c1ccc(C(F)(F)F)cc1 ZINC001650000114 1169587707 /nfs/dbraw/zinc/58/77/07/1169587707.db2.gz UHNYXZJRMNYMRE-ZETCQYMHSA-N -1 1 299.256 1.985 20 0 CDADMM COCCc1noc(CN2C3CCC(CC3)[C@H]2C(=O)[O-])n1 ZINC001573984928 1170854098 /nfs/dbraw/zinc/85/40/98/1170854098.db2.gz CHAWJSRTRYTIAM-ZPPKWKGLSA-N -1 1 295.339 1.086 20 0 CDADMM Cc1cc(CCC(=O)N(CCC(=O)[O-])CC2CC2)n[nH]1 ZINC001574134217 1170892679 /nfs/dbraw/zinc/89/26/79/1170892679.db2.gz JPJODHRNKKAQTR-UHFFFAOYSA-N -1 1 279.340 1.364 20 0 CDADMM O=C([O-])[C@]12CCC[C@@H]1C[C@@H](NCc1csnn1)C2 ZINC001574352216 1170955999 /nfs/dbraw/zinc/95/59/99/1170955999.db2.gz RUIFBCLDJGPFKL-LNLATYFQSA-N -1 1 267.354 1.661 20 0 CDADMM Cc1cccc(Cn2cc(C)cc(-c3nn[n-]n3)c2=O)c1 ZINC001581244051 1172598104 /nfs/dbraw/zinc/59/81/04/1172598104.db2.gz VAZZVKGMBMJISM-UHFFFAOYSA-N -1 1 281.319 1.694 20 0 CDADMM CC(C)(C)[S@](=O)CCNc1ccnc(-c2nnn[n-]2)c1 ZINC001589207999 1173129414 /nfs/dbraw/zinc/12/94/14/1173129414.db2.gz OREGLAPWBPTADM-HXUWFJFHSA-N -1 1 294.384 1.221 20 0 CDADMM CC(C)(C)[S@](=O)CCNc1ccnc(-c2nn[n-]n2)c1 ZINC001589207999 1173129416 /nfs/dbraw/zinc/12/94/16/1173129416.db2.gz OREGLAPWBPTADM-HXUWFJFHSA-N -1 1 294.384 1.221 20 0 CDADMM CC(C)[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589508137 1173152591 /nfs/dbraw/zinc/15/25/91/1173152591.db2.gz WZOGWSCHBIUVSY-MNOVXSKESA-N -1 1 287.371 1.705 20 0 CDADMM CC(C)[C@@H]1CCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589509110 1173152806 /nfs/dbraw/zinc/15/28/06/1173152806.db2.gz APULZFULVAXOBD-JTQLQIEISA-N -1 1 287.327 1.524 20 0 CDADMM CC(C)[C@@H]1CCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589509110 1173152808 /nfs/dbraw/zinc/15/28/08/1173152808.db2.gz APULZFULVAXOBD-JTQLQIEISA-N -1 1 287.327 1.524 20 0 CDADMM CC(C)[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C(C)C ZINC001589520649 1173153603 /nfs/dbraw/zinc/15/36/03/1173153603.db2.gz XCIGEGCIDZWMPR-GXFFZTMASA-N -1 1 287.371 1.774 20 0 CDADMM CC(C)[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C(C)C ZINC001589520649 1173153609 /nfs/dbraw/zinc/15/36/09/1173153609.db2.gz XCIGEGCIDZWMPR-GXFFZTMASA-N -1 1 287.371 1.774 20 0 CDADMM CC(C)C[C@H](CO)N(C)c1ccnc(-c2nnn[n-]2)c1 ZINC001589562844 1173156646 /nfs/dbraw/zinc/15/66/46/1173156646.db2.gz OXALBQZRZSXKEF-LLVKDONJSA-N -1 1 276.344 1.105 20 0 CDADMM CC(C)C[C@H](CO)N(C)c1ccnc(-c2nn[n-]n2)c1 ZINC001589562844 1173156651 /nfs/dbraw/zinc/15/66/51/1173156651.db2.gz OXALBQZRZSXKEF-LLVKDONJSA-N -1 1 276.344 1.105 20 0 CDADMM C[C@@H](CNc1cccnc1-c1nnn[n-]1)c1nccs1 ZINC001589879796 1173193399 /nfs/dbraw/zinc/19/33/99/1173193399.db2.gz UHEWHQOELPWNDU-QMMMGPOBSA-N -1 1 287.352 1.934 20 0 CDADMM C[C@@H](CNc1cccnc1-c1nn[n-]n1)c1nccs1 ZINC001589879796 1173193404 /nfs/dbraw/zinc/19/34/04/1173193404.db2.gz UHEWHQOELPWNDU-QMMMGPOBSA-N -1 1 287.352 1.934 20 0 CDADMM C[C@H](Cc1cnn(C)c1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589904299 1173199804 /nfs/dbraw/zinc/19/98/04/1173199804.db2.gz LIPSXXINQUTDNQ-SECBINFHSA-N -1 1 284.327 1.038 20 0 CDADMM C[C@H](Cc1cnn(C)c1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589904299 1173199813 /nfs/dbraw/zinc/19/98/13/1173199813.db2.gz LIPSXXINQUTDNQ-SECBINFHSA-N -1 1 284.327 1.038 20 0 CDADMM CC(F)(F)COC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589908939 1173201900 /nfs/dbraw/zinc/20/19/00/1173201900.db2.gz RGXMVLXMZBXSFP-UHFFFAOYSA-N -1 1 258.184 1.272 20 0 CDADMM CC(F)(F)COC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589908939 1173201909 /nfs/dbraw/zinc/20/19/09/1173201909.db2.gz RGXMVLXMZBXSFP-UHFFFAOYSA-N -1 1 258.184 1.272 20 0 CDADMM C[C@H](NCc1nc(-c2nnn[n-]2)cs1)C(F)F ZINC001589972844 1173218881 /nfs/dbraw/zinc/21/88/81/1173218881.db2.gz SSMUKDQFUHZXEZ-BYPYZUCNSA-N -1 1 260.273 1.066 20 0 CDADMM C[C@H](NCc1nc(-c2nn[n-]n2)cs1)C(F)F ZINC001589972844 1173218889 /nfs/dbraw/zinc/21/88/89/1173218889.db2.gz SSMUKDQFUHZXEZ-BYPYZUCNSA-N -1 1 260.273 1.066 20 0 CDADMM C[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)C1CCC(F)CC1 ZINC001589979930 1173222240 /nfs/dbraw/zinc/22/22/40/1173222240.db2.gz CNBYDWWUEKCGNT-XNWIYYODSA-N -1 1 291.334 1.985 20 0 CDADMM C[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)C1CCC(F)CC1 ZINC001589979930 1173222243 /nfs/dbraw/zinc/22/22/43/1173222243.db2.gz CNBYDWWUEKCGNT-XNWIYYODSA-N -1 1 291.334 1.985 20 0 CDADMM C[C@@H](O)CCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001589999056 1173231605 /nfs/dbraw/zinc/23/16/05/1173231605.db2.gz OMIDHAXHJZHUIF-SECBINFHSA-N -1 1 299.338 1.383 20 0 CDADMM C[C@@H](O)CCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001589999056 1173231612 /nfs/dbraw/zinc/23/16/12/1173231612.db2.gz OMIDHAXHJZHUIF-SECBINFHSA-N -1 1 299.338 1.383 20 0 CDADMM C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590050737 1173241582 /nfs/dbraw/zinc/24/15/82/1173241582.db2.gz MTCVTHHIQGVUPR-VIFPVBQESA-N -1 1 298.306 1.688 20 0 CDADMM C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590050737 1173241586 /nfs/dbraw/zinc/24/15/86/1173241586.db2.gz MTCVTHHIQGVUPR-VIFPVBQESA-N -1 1 298.306 1.688 20 0 CDADMM CC1(C(=O)Nc2ncc(-c3nnn[n-]3)s2)CC1 ZINC001590070784 1173242773 /nfs/dbraw/zinc/24/27/73/1173242773.db2.gz IPDIUALDHLWRNP-UHFFFAOYSA-N -1 1 250.287 1.062 20 0 CDADMM CC1(C(=O)Nc2ncc(-c3nn[n-]n3)s2)CC1 ZINC001590070784 1173242776 /nfs/dbraw/zinc/24/27/76/1173242776.db2.gz IPDIUALDHLWRNP-UHFFFAOYSA-N -1 1 250.287 1.062 20 0 CDADMM CC1(C)CC[C@@H](CNc2ncncc2-c2nn[n-]n2)O1 ZINC001590090328 1173254818 /nfs/dbraw/zinc/25/48/18/1173254818.db2.gz HLFDDVHIMDGOGT-QMMMGPOBSA-N -1 1 275.316 1.026 20 0 CDADMM CC12CC(C1)CN2C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590152367 1173275563 /nfs/dbraw/zinc/27/55/63/1173275563.db2.gz IPJZGJQUQDUDFV-UHFFFAOYSA-N -1 1 275.337 1.553 20 0 CDADMM CC12CC(C1)CN2C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590152367 1173275569 /nfs/dbraw/zinc/27/55/69/1173275569.db2.gz IPJZGJQUQDUDFV-UHFFFAOYSA-N -1 1 275.337 1.553 20 0 CDADMM C[C@@H]1C[C@H](NC(=O)c2ccsc2-c2nnn[n-]2)[C@H](C)O1 ZINC001590203893 1173289406 /nfs/dbraw/zinc/28/94/06/1173289406.db2.gz XHEWYZPQCROOCZ-FJXKBIBVSA-N -1 1 293.352 1.224 20 0 CDADMM C[C@@H]1C[C@H](NC(=O)c2ccsc2-c2nn[n-]n2)[C@H](C)O1 ZINC001590203893 1173289410 /nfs/dbraw/zinc/28/94/10/1173289410.db2.gz XHEWYZPQCROOCZ-FJXKBIBVSA-N -1 1 293.352 1.224 20 0 CDADMM C[C@@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001590240688 1173313396 /nfs/dbraw/zinc/31/33/96/1173313396.db2.gz SWVKWRKOZJWWTR-UTLUCORTSA-N -1 1 273.344 1.315 20 0 CDADMM C[C@@H]1CCC[C@@H](C2CN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001590244987 1173317157 /nfs/dbraw/zinc/31/71/57/1173317157.db2.gz XKGDEGMPNLWFBM-GHMZBOCLSA-N -1 1 299.382 1.919 20 0 CDADMM C[C@@H]1CCC[C@@H](C2CN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001590244987 1173317161 /nfs/dbraw/zinc/31/71/61/1173317161.db2.gz XKGDEGMPNLWFBM-GHMZBOCLSA-N -1 1 299.382 1.919 20 0 CDADMM C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590255099 1173324379 /nfs/dbraw/zinc/32/43/79/1173324379.db2.gz QHXQSYYGAANFDK-NXEZZACHSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590255099 1173324386 /nfs/dbraw/zinc/32/43/86/1173324386.db2.gz QHXQSYYGAANFDK-NXEZZACHSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)[C@H]1C ZINC001590276100 1173336904 /nfs/dbraw/zinc/33/69/04/1173336904.db2.gz JDLSDAKTEVKGFY-IUCAKERBSA-N -1 1 285.355 1.769 20 0 CDADMM C[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)[C@H]1C ZINC001590276100 1173336911 /nfs/dbraw/zinc/33/69/11/1173336911.db2.gz JDLSDAKTEVKGFY-IUCAKERBSA-N -1 1 285.355 1.769 20 0 CDADMM C[C@H]1CCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001590276950 1173337044 /nfs/dbraw/zinc/33/70/44/1173337044.db2.gz PDNVVARGWQTCPG-BYPYZUCNSA-N -1 1 256.722 1.575 20 0 CDADMM C[C@H]1CCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590276950 1173337051 /nfs/dbraw/zinc/33/70/51/1173337051.db2.gz PDNVVARGWQTCPG-BYPYZUCNSA-N -1 1 256.722 1.575 20 0 CDADMM CC[C@@H](C)[C@@](C)(O)CNc1nc(-c2nn[n-]n2)ccc1C ZINC001590395790 1173385926 /nfs/dbraw/zinc/38/59/26/1173385926.db2.gz DJNRUWURIRDYGN-YGRLFVJLSA-N -1 1 290.371 1.779 20 0 CDADMM CC[C@H](C[C@@H](C)CO)Nc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001590425083 1173404456 /nfs/dbraw/zinc/40/44/56/1173404456.db2.gz OKLLTBYXBHDVCC-MWLCHTKSSA-N -1 1 290.371 1.779 20 0 CDADMM CC[C@H](C[C@@H](C)CO)Nc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001590425083 1173404459 /nfs/dbraw/zinc/40/44/59/1173404459.db2.gz OKLLTBYXBHDVCC-MWLCHTKSSA-N -1 1 290.371 1.779 20 0 CDADMM CC[C@H](NC(=O)c1ccsc1-c1nnn[n-]1)C1CC1 ZINC001590459156 1173416106 /nfs/dbraw/zinc/41/61/06/1173416106.db2.gz GFLNOACJBLFZGO-VIFPVBQESA-N -1 1 277.353 1.847 20 0 CDADMM CC[C@H](NC(=O)c1ccsc1-c1nn[n-]n1)C1CC1 ZINC001590459156 1173416109 /nfs/dbraw/zinc/41/61/09/1173416109.db2.gz GFLNOACJBLFZGO-VIFPVBQESA-N -1 1 277.353 1.847 20 0 CDADMM CC[C@H](O)CCNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001590477162 1173426809 /nfs/dbraw/zinc/42/68/09/1173426809.db2.gz OVSQCNNKOCMTKL-VIFPVBQESA-N -1 1 262.317 1.143 20 0 CDADMM CC[C@H](O)CCNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001590477162 1173426812 /nfs/dbraw/zinc/42/68/12/1173426812.db2.gz OVSQCNNKOCMTKL-VIFPVBQESA-N -1 1 262.317 1.143 20 0 CDADMM CCC1(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CCC1 ZINC001590489022 1173431305 /nfs/dbraw/zinc/43/13/05/1173431305.db2.gz CZPQCLAIYLNCEY-UHFFFAOYSA-N -1 1 272.312 1.781 20 0 CDADMM CCC1(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CCC1 ZINC001590489022 1173431310 /nfs/dbraw/zinc/43/13/10/1173431310.db2.gz CZPQCLAIYLNCEY-UHFFFAOYSA-N -1 1 272.312 1.781 20 0 CDADMM CCC1(COC(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001590495661 1173434910 /nfs/dbraw/zinc/43/49/10/1173434910.db2.gz HNNKRHAGJKBWNM-UHFFFAOYSA-N -1 1 262.269 1.807 20 0 CDADMM CCC1(COC(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001590495661 1173434915 /nfs/dbraw/zinc/43/49/15/1173434915.db2.gz HNNKRHAGJKBWNM-UHFFFAOYSA-N -1 1 262.269 1.807 20 0 CDADMM CC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)[C@@H](CC)CO1 ZINC001590521544 1173449479 /nfs/dbraw/zinc/44/94/79/1173449479.db2.gz BHPCMVYAZVNZRV-VHSXEESVSA-N -1 1 289.343 1.051 20 0 CDADMM CC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)[C@@H](CC)CO1 ZINC001590521544 1173449481 /nfs/dbraw/zinc/44/94/81/1173449481.db2.gz BHPCMVYAZVNZRV-VHSXEESVSA-N -1 1 289.343 1.051 20 0 CDADMM CC[C@@H]1CN(c2ccnc(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC001590523340 1173452986 /nfs/dbraw/zinc/45/29/86/1173452986.db2.gz WXIMQLXLLRNFGG-GXSJLCMTSA-N -1 1 274.328 1.265 20 0 CDADMM CC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)c2)C[C@H](C)O1 ZINC001590523340 1173452992 /nfs/dbraw/zinc/45/29/92/1173452992.db2.gz WXIMQLXLLRNFGG-GXSJLCMTSA-N -1 1 274.328 1.265 20 0 CDADMM CCN(C[C@H]1CCCO1)c1ccc(C)c(-c2nnn[n-]2)n1 ZINC001590691225 1173492602 /nfs/dbraw/zinc/49/26/02/1173492602.db2.gz IYEPOLSMPUETJE-LLVKDONJSA-N -1 1 288.355 1.575 20 0 CDADMM CCN(C[C@H]1CCCO1)c1ccc(C)c(-c2nn[n-]n2)n1 ZINC001590691225 1173492609 /nfs/dbraw/zinc/49/26/09/1173492609.db2.gz IYEPOLSMPUETJE-LLVKDONJSA-N -1 1 288.355 1.575 20 0 CDADMM CCN(c1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCCOC1 ZINC001590725115 1173501834 /nfs/dbraw/zinc/50/18/34/1173501834.db2.gz MMHVDJALWLDMCO-LLVKDONJSA-N -1 1 274.328 1.267 20 0 CDADMM CCN(c1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCOC1 ZINC001590725115 1173501837 /nfs/dbraw/zinc/50/18/37/1173501837.db2.gz MMHVDJALWLDMCO-LLVKDONJSA-N -1 1 274.328 1.267 20 0 CDADMM CCOC(=O)c1cnn(CC2=CCCC2)c1-c1nn[n-]n1 ZINC001590776110 1173506782 /nfs/dbraw/zinc/50/67/82/1173506782.db2.gz GJRXZQLPTFEDJM-UHFFFAOYSA-N -1 1 288.311 1.350 20 0 CDADMM CCc1nc(C(C)C)ccc1Cn1cnc(-c2nn[n-]n2)n1 ZINC001590910623 1173540931 /nfs/dbraw/zinc/54/09/31/1173540931.db2.gz NSXNGOFVAVJMMZ-UHFFFAOYSA-N -1 1 298.354 1.587 20 0 CDADMM CCc1nc(NCc2cccnc2)cc(-c2nnn[n-]2)n1 ZINC001590922513 1173542893 /nfs/dbraw/zinc/54/28/93/1173542893.db2.gz CEHJVRQWPJSJOU-UHFFFAOYSA-N -1 1 282.311 1.226 20 0 CDADMM CCc1nc(NCc2cccnc2)cc(-c2nn[n-]n2)n1 ZINC001590922513 1173542905 /nfs/dbraw/zinc/54/29/05/1173542905.db2.gz CEHJVRQWPJSJOU-UHFFFAOYSA-N -1 1 282.311 1.226 20 0 CDADMM CN(C(=O)Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001590985867 1173558053 /nfs/dbraw/zinc/55/80/53/1173558053.db2.gz ZSIGPNXMARAUHP-UHFFFAOYSA-N -1 1 295.306 1.930 20 0 CDADMM CN(C(=O)Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001590985867 1173558059 /nfs/dbraw/zinc/55/80/59/1173558059.db2.gz ZSIGPNXMARAUHP-UHFFFAOYSA-N -1 1 295.306 1.930 20 0 CDADMM CN(CC1CC1)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001591053582 1173564374 /nfs/dbraw/zinc/56/43/74/1173564374.db2.gz OMMWKHPGEAJOKA-UHFFFAOYSA-N -1 1 263.326 1.410 20 0 CDADMM CN(CC1CC1)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001591053582 1173564378 /nfs/dbraw/zinc/56/43/78/1173564378.db2.gz OMMWKHPGEAJOKA-UHFFFAOYSA-N -1 1 263.326 1.410 20 0 CDADMM CN(Cc1ccns1)c1ccnc(-c2nnn[n-]2)c1 ZINC001591150239 1173578173 /nfs/dbraw/zinc/57/81/73/1173578173.db2.gz QGGSDAQCFRPORY-UHFFFAOYSA-N -1 1 273.325 1.355 20 0 CDADMM CN(Cc1ccns1)c1ccnc(-c2nn[n-]n2)c1 ZINC001591150239 1173578179 /nfs/dbraw/zinc/57/81/79/1173578179.db2.gz QGGSDAQCFRPORY-UHFFFAOYSA-N -1 1 273.325 1.355 20 0 CDADMM COC1(CC(=O)Nc2ncc(-c3nnn[n-]3)s2)CCC1 ZINC001591340898 1173617554 /nfs/dbraw/zinc/61/75/54/1173617554.db2.gz AJRRICFDMCKCNL-UHFFFAOYSA-N -1 1 294.340 1.221 20 0 CDADMM COC1(CC(=O)Nc2ncc(-c3nn[n-]n3)s2)CCC1 ZINC001591340898 1173617562 /nfs/dbraw/zinc/61/75/62/1173617562.db2.gz AJRRICFDMCKCNL-UHFFFAOYSA-N -1 1 294.340 1.221 20 0 CDADMM COc1ncc(NC(=O)N(C)C(C)C)cc1-c1nn[n-]n1 ZINC001591665045 1173678463 /nfs/dbraw/zinc/67/84/63/1173678463.db2.gz UZDPGVVLVLLJEG-UHFFFAOYSA-N -1 1 291.315 1.142 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)C1CCCC1 ZINC001591729317 1173692043 /nfs/dbraw/zinc/69/20/43/1173692043.db2.gz FBFJNEIFOOQLNM-MRVPVSSYSA-N -1 1 275.312 1.768 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)C1CCCC1 ZINC001591729317 1173692046 /nfs/dbraw/zinc/69/20/46/1173692046.db2.gz FBFJNEIFOOQLNM-MRVPVSSYSA-N -1 1 275.312 1.768 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCOC2(C)C)n1 ZINC001591895934 1173741326 /nfs/dbraw/zinc/74/13/26/1173741326.db2.gz CEBSXYFHRWQPJX-SECBINFHSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCOC2(C)C)n1 ZINC001591895934 1173741333 /nfs/dbraw/zinc/74/13/33/1173741333.db2.gz CEBSXYFHRWQPJX-SECBINFHSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCC2CCCC2)n1 ZINC001591895232 1173742651 /nfs/dbraw/zinc/74/26/51/1173742651.db2.gz YZFRDOWSSNMFOX-UHFFFAOYSA-N -1 1 259.317 1.567 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCC2CCCC2)n1 ZINC001591895232 1173742656 /nfs/dbraw/zinc/74/26/56/1173742656.db2.gz YZFRDOWSSNMFOX-UHFFFAOYSA-N -1 1 259.317 1.567 20 0 CDADMM Cc1cc(N(C)CC2=CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001591994872 1173766543 /nfs/dbraw/zinc/76/65/43/1173766543.db2.gz CYAKDPUGENFVIT-UHFFFAOYSA-N -1 1 286.339 1.353 20 0 CDADMM Cc1cc(N(C)CC2=CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001591994872 1173766552 /nfs/dbraw/zinc/76/65/52/1173766552.db2.gz CYAKDPUGENFVIT-UHFFFAOYSA-N -1 1 286.339 1.353 20 0 CDADMM Cc1cc(N2CCC[C@@H]2C(C)(C)O)cc(-c2nnn[n-]2)n1 ZINC001592007150 1173772160 /nfs/dbraw/zinc/77/21/60/1173772160.db2.gz UPUANJYEBDQDAW-GFCCVEGCSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1cc(N2CCC[C@@H]2C(C)(C)O)cc(-c2nn[n-]n2)n1 ZINC001592007150 1173772164 /nfs/dbraw/zinc/77/21/64/1173772164.db2.gz UPUANJYEBDQDAW-GFCCVEGCSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1cc(O)cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001592055786 1173789120 /nfs/dbraw/zinc/78/91/20/1173789120.db2.gz GENFPKMYVMQIPS-UHFFFAOYSA-N -1 1 296.290 1.528 20 0 CDADMM Cc1cc(O)cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001592055786 1173789123 /nfs/dbraw/zinc/78/91/23/1173789123.db2.gz GENFPKMYVMQIPS-UHFFFAOYSA-N -1 1 296.290 1.528 20 0 CDADMM Cc1cc(=NOCCOC(C)C)[nH]cc1-c1nn[n-]n1 ZINC001592054031 1173789745 /nfs/dbraw/zinc/78/97/45/1173789745.db2.gz MBOSIOWDFJBYOT-UHFFFAOYSA-N -1 1 278.316 1.339 20 0 CDADMM Cc1cc(Oc2cccc(-c3nnn[n-]3)n2)ccc1C(N)=O ZINC001592062474 1173791034 /nfs/dbraw/zinc/79/10/34/1173791034.db2.gz JQISPTSULYULRY-UHFFFAOYSA-N -1 1 296.290 1.461 20 0 CDADMM Cc1cc(Oc2cccc(-c3nn[n-]n3)n2)ccc1C(N)=O ZINC001592062474 1173791043 /nfs/dbraw/zinc/79/10/43/1173791043.db2.gz JQISPTSULYULRY-UHFFFAOYSA-N -1 1 296.290 1.461 20 0 CDADMM Cc1ccc(C(=O)Nc2snc(C)c2-c2nnn[n-]2)o1 ZINC001592132636 1173810375 /nfs/dbraw/zinc/81/03/75/1173810375.db2.gz LLQYUJZMRBFDNK-UHFFFAOYSA-N -1 1 290.308 1.785 20 0 CDADMM Cc1ccc(C(=O)Nc2snc(C)c2-c2nn[n-]n2)o1 ZINC001592132636 1173810381 /nfs/dbraw/zinc/81/03/81/1173810381.db2.gz LLQYUJZMRBFDNK-UHFFFAOYSA-N -1 1 290.308 1.785 20 0 CDADMM Cc1ccc(CN(C)C(=O)c2coc(-c3nnn[n-]3)c2)nc1 ZINC001592151547 1173812111 /nfs/dbraw/zinc/81/21/11/1173812111.db2.gz SEMWVISPERSCLJ-UHFFFAOYSA-N -1 1 298.306 1.435 20 0 CDADMM Cc1ccc(CN(C)C(=O)c2coc(-c3nn[n-]n3)c2)nc1 ZINC001592151547 1173812116 /nfs/dbraw/zinc/81/21/16/1173812116.db2.gz SEMWVISPERSCLJ-UHFFFAOYSA-N -1 1 298.306 1.435 20 0 CDADMM Cc1ccc(CNc2ncncc2-c2nn[n-]n2)cc1F ZINC001592167945 1173821530 /nfs/dbraw/zinc/82/15/30/1173821530.db2.gz XDNAKAMXEAEUGZ-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1ccc(N2C[C@@H](C)OC(C)(C)C2)nc1-c1nnn[n-]1 ZINC001592174517 1173824495 /nfs/dbraw/zinc/82/44/95/1173824495.db2.gz HZRNYUQRBLVFKJ-SNVBAGLBSA-N -1 1 288.355 1.574 20 0 CDADMM Cc1ccc(N2C[C@@H](C)OC(C)(C)C2)nc1-c1nn[n-]n1 ZINC001592174517 1173824502 /nfs/dbraw/zinc/82/45/02/1173824502.db2.gz HZRNYUQRBLVFKJ-SNVBAGLBSA-N -1 1 288.355 1.574 20 0 CDADMM Cc1ccc(NC[C@@H]2CCSC2)nc1-c1nnn[n-]1 ZINC001592183338 1173827946 /nfs/dbraw/zinc/82/79/46/1173827946.db2.gz QEWZMLFZNMGJQE-VIFPVBQESA-N -1 1 276.369 1.735 20 0 CDADMM Cc1ccc(NC[C@@H]2CCSC2)nc1-c1nn[n-]n1 ZINC001592183338 1173827947 /nfs/dbraw/zinc/82/79/47/1173827947.db2.gz QEWZMLFZNMGJQE-VIFPVBQESA-N -1 1 276.369 1.735 20 0 CDADMM Cc1ccc(NCCC[C@H]2CCOC2)c(-c2nnn[n-]2)n1 ZINC001592185714 1173830663 /nfs/dbraw/zinc/83/06/63/1173830663.db2.gz KCHKWFHBHZVFMP-NSHDSACASA-N -1 1 288.355 1.799 20 0 CDADMM Cc1ccc(NCCC[C@H]2CCOC2)c(-c2nn[n-]n2)n1 ZINC001592185714 1173830667 /nfs/dbraw/zinc/83/06/67/1173830667.db2.gz KCHKWFHBHZVFMP-NSHDSACASA-N -1 1 288.355 1.799 20 0 CDADMM Cc1cccc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001592220969 1173834080 /nfs/dbraw/zinc/83/40/80/1173834080.db2.gz ACRHAEKOZOIBJS-UHFFFAOYSA-N -1 1 280.291 1.822 20 0 CDADMM Cc1cccc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001592220969 1173834084 /nfs/dbraw/zinc/83/40/84/1173834084.db2.gz ACRHAEKOZOIBJS-UHFFFAOYSA-N -1 1 280.291 1.822 20 0 CDADMM Cc1cocc1C(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001592310042 1173851027 /nfs/dbraw/zinc/85/10/27/1173851027.db2.gz XGMBOPMNTPZSQZ-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1cocc1C(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001592310042 1173851031 /nfs/dbraw/zinc/85/10/31/1173851031.db2.gz XGMBOPMNTPZSQZ-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC3(CCC3)CC2)n1 ZINC001592337842 1173858420 /nfs/dbraw/zinc/85/84/20/1173858420.db2.gz PQPBVQABKLAEAZ-UHFFFAOYSA-N -1 1 285.355 1.736 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC3(CCC3)CC2)n1 ZINC001592337842 1173858427 /nfs/dbraw/zinc/85/84/27/1173858427.db2.gz PQPBVQABKLAEAZ-UHFFFAOYSA-N -1 1 285.355 1.736 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2nccn2C(F)F)c1C ZINC001592341126 1173861552 /nfs/dbraw/zinc/86/15/52/1173861552.db2.gz RUILCNXAPYDEMH-UHFFFAOYSA-N -1 1 294.269 1.320 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](C)C2)n1 ZINC001592340221 1173862349 /nfs/dbraw/zinc/86/23/49/1173862349.db2.gz FCZAEVZRVNPSDJ-MRVPVSSYSA-N -1 1 259.317 1.201 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](C)C2)n1 ZINC001592340221 1173862352 /nfs/dbraw/zinc/86/23/52/1173862352.db2.gz FCZAEVZRVNPSDJ-MRVPVSSYSA-N -1 1 259.317 1.201 20 0 CDADMM Cc1nc(N[C@H]2CC23CCCC3)cc(-c2nnn[n-]2)n1 ZINC001592381957 1173874482 /nfs/dbraw/zinc/87/44/82/1173874482.db2.gz IZNSHVBWMYGEGO-JTQLQIEISA-N -1 1 271.328 1.710 20 0 CDADMM Cc1nc(N[C@H]2CC23CCCC3)cc(-c2nn[n-]n2)n1 ZINC001592381957 1173874486 /nfs/dbraw/zinc/87/44/86/1173874486.db2.gz IZNSHVBWMYGEGO-JTQLQIEISA-N -1 1 271.328 1.710 20 0 CDADMM Cc1nccnc1CSc1cccnc1-c1nnn[n-]1 ZINC001592420265 1173883470 /nfs/dbraw/zinc/88/34/70/1173883470.db2.gz WDDBAXYWDAVJFH-UHFFFAOYSA-N -1 1 285.336 1.652 20 0 CDADMM Cc1nccnc1CSc1cccnc1-c1nn[n-]n1 ZINC001592420265 1173883476 /nfs/dbraw/zinc/88/34/76/1173883476.db2.gz WDDBAXYWDAVJFH-UHFFFAOYSA-N -1 1 285.336 1.652 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@]12C[C@@H]1CCCC2 ZINC001592499858 1173908581 /nfs/dbraw/zinc/90/85/81/1173908581.db2.gz SHFFPQLSXRFKOW-XPTSAGLGSA-N -1 1 287.323 1.831 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@]12C[C@@H]1CCCC2 ZINC001592499858 1173908587 /nfs/dbraw/zinc/90/85/87/1173908587.db2.gz SHFFPQLSXRFKOW-XPTSAGLGSA-N -1 1 287.323 1.831 20 0 CDADMM O=C(CCCC1CC1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592836784 1173998003 /nfs/dbraw/zinc/99/80/03/1173998003.db2.gz LVCOLHCDZUMIFV-UHFFFAOYSA-N -1 1 261.289 1.109 20 0 CDADMM O=C(NCC1CCCC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593033898 1174015847 /nfs/dbraw/zinc/01/58/47/1174015847.db2.gz MHKZCLMWYAAQGA-UHFFFAOYSA-N -1 1 287.327 1.573 20 0 CDADMM O=C(NCC1CCCC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593033898 1174015853 /nfs/dbraw/zinc/01/58/53/1174015853.db2.gz MHKZCLMWYAAQGA-UHFFFAOYSA-N -1 1 287.327 1.573 20 0 CDADMM O=C(NCCC1CC1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593060718 1174018632 /nfs/dbraw/zinc/01/86/32/1174018632.db2.gz CDGMCPGTKZNONP-UHFFFAOYSA-N -1 1 292.730 1.445 20 0 CDADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)[C@@H]1C[C@H]1F ZINC001593122053 1174023200 /nfs/dbraw/zinc/02/32/00/1174023200.db2.gz VJLOBTIZQYQNIE-RNFRBKRXSA-N -1 1 297.240 1.119 20 0 CDADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)[C@@H]1C[C@H]1F ZINC001593122053 1174023208 /nfs/dbraw/zinc/02/32/08/1174023208.db2.gz VJLOBTIZQYQNIE-RNFRBKRXSA-N -1 1 297.240 1.119 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)NC1CCCCC1 ZINC001593244399 1174040161 /nfs/dbraw/zinc/04/01/61/1174040161.db2.gz QTLLCFJCICYJDY-UHFFFAOYSA-N -1 1 287.327 1.716 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)NC1CCCCC1 ZINC001593244399 1174040166 /nfs/dbraw/zinc/04/01/66/1174040166.db2.gz QTLLCFJCICYJDY-UHFFFAOYSA-N -1 1 287.327 1.716 20 0 CDADMM O=C(OCC1=CCCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593284324 1174052047 /nfs/dbraw/zinc/05/20/47/1174052047.db2.gz IGMFPNZBGARNPJ-UHFFFAOYSA-N -1 1 271.280 1.529 20 0 CDADMM O=C(OCC1=CCCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593284324 1174052050 /nfs/dbraw/zinc/05/20/50/1174052050.db2.gz IGMFPNZBGARNPJ-UHFFFAOYSA-N -1 1 271.280 1.529 20 0 CDADMM O=C(c1csc(-c2nn[n-]n2)c1)N1C[C@H]2CCCC[C@H]21 ZINC001593370162 1174072282 /nfs/dbraw/zinc/07/22/82/1174072282.db2.gz JTFOZKDZYKDTIY-PSASIEDQSA-N -1 1 289.364 1.943 20 0 CDADMM O=CNc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001593415938 1174076124 /nfs/dbraw/zinc/07/61/24/1174076124.db2.gz KTIZDVBIYXMJIL-UHFFFAOYSA-N -1 1 298.262 1.280 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1cccc(Cl)c1 ZINC001593494701 1174086352 /nfs/dbraw/zinc/08/63/52/1174086352.db2.gz UIJWFWUTWZFZDO-UHFFFAOYSA-N -1 1 287.710 1.730 20 0 CDADMM O[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)o2)c2ccccc21 ZINC001593519812 1174098094 /nfs/dbraw/zinc/09/80/94/1174098094.db2.gz RAEVXLLYCOEENL-CYBMUJFWSA-N -1 1 297.318 1.903 20 0 CDADMM O[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)o2)c2ccccc21 ZINC001593519812 1174098101 /nfs/dbraw/zinc/09/81/01/1174098101.db2.gz RAEVXLLYCOEENL-CYBMUJFWSA-N -1 1 297.318 1.903 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CO[C@@H]1CCCc2c[nH]nc21 ZINC001593550822 1174121508 /nfs/dbraw/zinc/12/15/08/1174121508.db2.gz CDZMXISFJRXQRM-SNVBAGLBSA-N -1 1 286.295 1.777 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1CO[C@@H]1CCCc2c[nH]nc21 ZINC001593550822 1174121511 /nfs/dbraw/zinc/12/15/11/1174121511.db2.gz CDZMXISFJRXQRM-SNVBAGLBSA-N -1 1 286.295 1.777 20 0 CDADMM c1cncc([C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)c1 ZINC001593587552 1174154591 /nfs/dbraw/zinc/15/45/91/1174154591.db2.gz KLNBGKGCOBBZDK-LBPRGKRZSA-N -1 1 294.322 1.037 20 0 CDADMM c1cnc2c(c1)CCC[C@@H]2Nc1cnc(-c2nnn[n-]2)cn1 ZINC001593588380 1174155168 /nfs/dbraw/zinc/15/51/68/1174155168.db2.gz WTXYIZLPACADKN-JTQLQIEISA-N -1 1 294.322 1.541 20 0 CDADMM c1cnc2c(c1)CCC[C@@H]2Nc1cnc(-c2nn[n-]n2)cn1 ZINC001593588380 1174155170 /nfs/dbraw/zinc/15/51/70/1174155170.db2.gz WTXYIZLPACADKN-JTQLQIEISA-N -1 1 294.322 1.541 20 0 CDADMM c1[nH]nc2ccc(Sc3cc(-c4nnn[n-]4)ncn3)cc12 ZINC001593592168 1174159571 /nfs/dbraw/zinc/15/95/71/1174159571.db2.gz VOPNGKHBXGOPDY-UHFFFAOYSA-N -1 1 296.319 1.684 20 0 CDADMM c1[nH]nc2ccc(Sc3cc(-c4nn[n-]n4)ncn3)cc12 ZINC001593592168 1174159574 /nfs/dbraw/zinc/15/95/74/1174159574.db2.gz VOPNGKHBXGOPDY-UHFFFAOYSA-N -1 1 296.319 1.684 20 0 CDADMM C[C@@H](NC(=O)c1ccc(F)c([O-])c1)c1ncon1 ZINC001596423166 1174237981 /nfs/dbraw/zinc/23/79/81/1174237981.db2.gz LEHNZFBWQPUPFK-ZCFIWIBFSA-N -1 1 251.217 1.405 20 0 CDADMM Cc1cc(CNCc2n[nH]c(C3CC3)n2)ccc1C(=O)[O-] ZINC001600209631 1174409498 /nfs/dbraw/zinc/40/94/98/1174409498.db2.gz OEGXDPHRLRCEDS-UHFFFAOYSA-N -1 1 286.335 1.979 20 0 CDADMM Cc1cc(N)nc(N2CCc3cc(C(=O)[O-])ccc3C2)n1 ZINC001600237275 1174419605 /nfs/dbraw/zinc/41/96/05/1174419605.db2.gz NFFZHCQNIQPNBE-UHFFFAOYSA-N -1 1 284.319 1.628 20 0 CDADMM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cnn[nH]2)cc1 ZINC001600372143 1174457723 /nfs/dbraw/zinc/45/77/23/1174457723.db2.gz PJLYTYJVHSSNEB-SNVBAGLBSA-N -1 1 274.280 1.059 20 0 CDADMM Cc1cccc2nc(CNc3ncncc3C(=O)[O-])[nH]c21 ZINC001600554552 1174504449 /nfs/dbraw/zinc/50/44/49/1174504449.db2.gz CTRJFCZIKWAGPB-UHFFFAOYSA-N -1 1 283.291 1.972 20 0 CDADMM Cc1nc([C@@H](C)NCc2ccccc2OCC(=O)[O-])n[nH]1 ZINC001600792650 1174612420 /nfs/dbraw/zinc/61/24/20/1174612420.db2.gz RUASAKUPZBXWLB-SECBINFHSA-N -1 1 290.323 1.427 20 0 CDADMM Cn1cc(C[NH2+][C@@H](C(=O)[O-])c2ccsc2)cc1C(=O)[O-] ZINC001600953519 1174678563 /nfs/dbraw/zinc/67/85/63/1174678563.db2.gz XMDLUKVDUAIFIT-LLVKDONJSA-N -1 1 294.332 1.700 20 0 CDADMM Cn1cncc1CN1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC001600993784 1174696581 /nfs/dbraw/zinc/69/65/81/1174696581.db2.gz XLMYZUZWGIQUHK-AVGNSLFASA-N -1 1 263.341 1.495 20 0 CDADMM Cn1nccc1[C@H](NCc1cccc(F)c1N)C(=O)[O-] ZINC001601034401 1174709992 /nfs/dbraw/zinc/70/99/92/1174709992.db2.gz IIONPRALBOFRFQ-LBPRGKRZSA-N -1 1 278.287 1.057 20 0 CDADMM Nc1cnccc1CNCc1cccc(OCC(=O)[O-])c1 ZINC001601219091 1174795270 /nfs/dbraw/zinc/79/52/70/1174795270.db2.gz VUIOLPPGMXLNAI-UHFFFAOYSA-N -1 1 287.319 1.417 20 0 CDADMM O=C([O-])[C@H](NC(=O)c1[nH]ncc1F)c1cc(F)ccc1F ZINC001601397685 1174856602 /nfs/dbraw/zinc/85/66/02/1174856602.db2.gz SGPGFHBPEXVEJX-SECBINFHSA-N -1 1 299.208 1.383 20 0 CDADMM O=C([O-])[C@@H](N[C@@H]1CCOC1)c1c(F)cccc1Cl ZINC001601670802 1174937582 /nfs/dbraw/zinc/93/75/82/1174937582.db2.gz ZMZYVQXYWYOKRK-HQJQHLMTSA-N -1 1 273.691 1.983 20 0 CDADMM O=C([O-])C1(c2csc([C@H]3CN4CCC[C@H]4CO3)n2)CC1 ZINC001601729074 1174972217 /nfs/dbraw/zinc/97/22/17/1174972217.db2.gz SJZBVSCGAHSZEC-VHSXEESVSA-N -1 1 294.376 1.795 20 0 CDADMM O=C([O-])CN1CCN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)CC1 ZINC001602063402 1175124315 /nfs/dbraw/zinc/12/43/15/1175124315.db2.gz SBRYOWMIMCZCRA-NHAGDIPZSA-N -1 1 294.395 1.432 20 0 CDADMM O=C([O-])[C@@H](F)CNC[C@H](O)c1cccc(Cl)c1 ZINC001602170144 1175149616 /nfs/dbraw/zinc/14/96/16/1175149616.db2.gz QYUYHIZHYIVMAI-UWVGGRQHSA-N -1 1 261.680 1.386 20 0 CDADMM O=C([O-])c1cc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)c[nH]1 ZINC001602255571 1175183422 /nfs/dbraw/zinc/18/34/22/1175183422.db2.gz MAOMOKRXJKJCOF-FDMGOTLNSA-N -1 1 282.365 1.198 20 0 CDADMM O=C([O-])c1cc(CN[C@H](CO)c2ccsc2)c[nH]1 ZINC001602259781 1175186781 /nfs/dbraw/zinc/18/67/81/1175186781.db2.gz GXPVDJUCYLJEFZ-LLVKDONJSA-N -1 1 266.322 1.598 20 0 CDADMM O=C([O-])c1ccc(CN2CCC(C3OCCO3)CC2)[nH]1 ZINC001602336750 1175209836 /nfs/dbraw/zinc/20/98/36/1175209836.db2.gz PGTNLDQRKHIBNL-UHFFFAOYSA-N -1 1 280.324 1.298 20 0 CDADMM O=C([O-])c1cccc(CN2CCS[C@H]3COCC[C@@H]32)n1 ZINC001602436878 1175239876 /nfs/dbraw/zinc/23/98/76/1175239876.db2.gz VWHXTRKBBGMZPT-STQMWFEESA-N -1 1 294.376 1.486 20 0 CDADMM O=C([O-])c1ccnc(C(=O)Nc2ccc3nc[nH]c3c2)c1 ZINC001602481355 1175254075 /nfs/dbraw/zinc/25/40/75/1175254075.db2.gz OAIKRRJOTOHYBD-UHFFFAOYSA-N -1 1 282.259 1.908 20 0 CDADMM CC(C)=CC(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001603184194 1175510239 /nfs/dbraw/zinc/51/02/39/1175510239.db2.gz AJDXVZMXDYEHKN-UHFFFAOYSA-N -1 1 259.269 1.271 20 0 CDADMM CC(C)=CC(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001603184194 1175510245 /nfs/dbraw/zinc/51/02/45/1175510245.db2.gz AJDXVZMXDYEHKN-UHFFFAOYSA-N -1 1 259.269 1.271 20 0 CDADMM CC(C)(C)n1cc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)nn1 ZINC001603567635 1175567683 /nfs/dbraw/zinc/56/76/83/1175567683.db2.gz NSABGRSBKDKDFB-GFCCVEGCSA-N -1 1 292.383 1.720 20 0 CDADMM C[C@@H](F)CCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603598021 1175574740 /nfs/dbraw/zinc/57/47/40/1175574740.db2.gz FHVFYTGFHAXWPV-ZCFIWIBFSA-N -1 1 269.305 1.406 20 0 CDADMM C[C@H]([N@H+](C)Cn1cccc(-c2nnn[n-]2)c1=O)C1(C)CC1 ZINC001603599222 1175576950 /nfs/dbraw/zinc/57/69/50/1175576950.db2.gz QRKFPRUAKSNYQL-JTQLQIEISA-N -1 1 288.355 1.106 20 0 CDADMM O=C(c1cc(F)ccc1[O-])N1CCCC[C@H]1CO ZINC000128619059 1175611946 /nfs/dbraw/zinc/61/19/46/1175611946.db2.gz SXCLABOKHJUXGZ-JTQLQIEISA-N -1 1 253.273 1.518 20 0 CDADMM C[C@]1(CNc2cc(-c3nnn[n-]3)ncn2)CC1(F)F ZINC001603807469 1175640084 /nfs/dbraw/zinc/64/00/84/1175640084.db2.gz QPTSUFDOKBKTKX-SECBINFHSA-N -1 1 267.243 1.114 20 0 CDADMM C[C@]1(CNc2cc(-c3nn[n-]n3)ncn2)CC1(F)F ZINC001603807469 1175640088 /nfs/dbraw/zinc/64/00/88/1175640088.db2.gz QPTSUFDOKBKTKX-SECBINFHSA-N -1 1 267.243 1.114 20 0 CDADMM CC(C)CN(CCC(=O)[O-])Cc1nnc2n1CCCC2 ZINC001603811962 1175642064 /nfs/dbraw/zinc/64/20/64/1175642064.db2.gz QCZZJYSYLGEXSK-UHFFFAOYSA-N -1 1 280.372 1.547 20 0 CDADMM C[C@@H]1CC[C@@H](C)N1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603875368 1175666382 /nfs/dbraw/zinc/66/63/82/1175666382.db2.gz ZWRZJRKFEVMVNV-RKDXNWHRSA-N -1 1 287.327 1.666 20 0 CDADMM C[C@@H]1CC[C@@H](C)N1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603875368 1175666386 /nfs/dbraw/zinc/66/63/86/1175666386.db2.gz ZWRZJRKFEVMVNV-RKDXNWHRSA-N -1 1 287.327 1.666 20 0 CDADMM C[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001603877837 1175666881 /nfs/dbraw/zinc/66/68/81/1175666881.db2.gz BTZMTUULOAPYGR-IUCAKERBSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001603877837 1175666885 /nfs/dbraw/zinc/66/68/85/1175666885.db2.gz BTZMTUULOAPYGR-IUCAKERBSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001603889560 1175673319 /nfs/dbraw/zinc/67/33/19/1175673319.db2.gz CXSYCOIJUCJDDX-DTWKUNHWSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001603889560 1175673325 /nfs/dbraw/zinc/67/33/25/1175673325.db2.gz CXSYCOIJUCJDDX-DTWKUNHWSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001603897189 1175676432 /nfs/dbraw/zinc/67/64/32/1175676432.db2.gz DAGZWLMZXFAULP-IUCAKERBSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1c1ccccc1 ZINC001603939804 1175692291 /nfs/dbraw/zinc/69/22/91/1175692291.db2.gz BGWIUXNRWZKVBG-YGRLFVJLSA-N -1 1 293.334 1.854 20 0 CDADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1c1ccccc1 ZINC001603939804 1175692294 /nfs/dbraw/zinc/69/22/94/1175692294.db2.gz BGWIUXNRWZKVBG-YGRLFVJLSA-N -1 1 293.334 1.854 20 0 CDADMM CC(C)[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccccc1)N(C)C ZINC001603965447 1175701203 /nfs/dbraw/zinc/70/12/03/1175701203.db2.gz UQYYPYLINMQDFM-STQMWFEESA-N -1 1 279.336 1.942 20 0 CDADMM CC[C@H](C)CCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001604005477 1175715807 /nfs/dbraw/zinc/71/58/07/1175715807.db2.gz QLFOAENVVWSEFD-QMMMGPOBSA-N -1 1 292.347 1.158 20 0 CDADMM CC[C@H](C)CCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001604005477 1175715809 /nfs/dbraw/zinc/71/58/09/1175715809.db2.gz QLFOAENVVWSEFD-QMMMGPOBSA-N -1 1 292.347 1.158 20 0 CDADMM CC(C)c1nc([C@@H](C)Nc2ncc(C(=O)[O-])cn2)n[nH]1 ZINC001604013588 1175720133 /nfs/dbraw/zinc/72/01/33/1175720133.db2.gz GQFSSAGJDUDXEU-SSDOTTSWSA-N -1 1 276.300 1.589 20 0 CDADMM CC[C@H](C[C@@H](C)O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001604015749 1175722039 /nfs/dbraw/zinc/72/20/39/1175722039.db2.gz MHQOZWWKAXAKAB-HTRCEHHLSA-N -1 1 282.373 1.593 20 0 CDADMM CC(C)c1noc(CN[C@@H]2CCC[C@H]2C(=O)[O-])n1 ZINC001604027763 1175725422 /nfs/dbraw/zinc/72/54/22/1175725422.db2.gz QFWNKLMHTWZWOY-RKDXNWHRSA-N -1 1 253.302 1.536 20 0 CDADMM CC[C@@H]1CCC[C@@H]1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001604101955 1175760673 /nfs/dbraw/zinc/76/06/73/1175760673.db2.gz XBFYOXXXRUUSLR-BDAKNGLRSA-N -1 1 289.343 1.365 20 0 CDADMM CC[C@@H]1CCC[C@@H]1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001604101955 1175760676 /nfs/dbraw/zinc/76/06/76/1175760676.db2.gz XBFYOXXXRUUSLR-BDAKNGLRSA-N -1 1 289.343 1.365 20 0 CDADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001604098608 1175761675 /nfs/dbraw/zinc/76/16/75/1175761675.db2.gz YVJLZFQYQYDAKQ-MWLCHTKSSA-N -1 1 286.339 1.522 20 0 CDADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001604098608 1175761679 /nfs/dbraw/zinc/76/16/79/1175761679.db2.gz 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COC(=O)c1cc(F)c(=O)[n-]c1OCC[C@@H](C)OC ZINC001234610463 943916027 /nfs/dbraw/zinc/91/60/27/943916027.db2.gz UNYURRFXJOISPS-SSDOTTSWSA-N -1 1 273.260 1.517 20 0 CDADMM CC(C)C(C)(C)C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001263886274 944019752 /nfs/dbraw/zinc/01/97/52/944019752.db2.gz DUFWDHDUCDFKQL-SECBINFHSA-N -1 1 251.334 1.198 20 0 CDADMM O=C(c1ccc(F)s1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001263886664 944022284 /nfs/dbraw/zinc/02/22/84/944022284.db2.gz RNTJAYBUHAFXFL-LURJTMIESA-N -1 1 267.289 1.030 20 0 CDADMM COC(C)(C[N-]S(=O)(=O)c1cc(F)ccc1F)OC ZINC001258949311 945454255 /nfs/dbraw/zinc/45/42/55/945454255.db2.gz VBNTXORJWADMGX-UHFFFAOYSA-N -1 1 295.307 1.252 20 0 CDADMM COC(=O)CS(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC001259017280 945466339 /nfs/dbraw/zinc/46/63/39/945466339.db2.gz PYQVKZGXOVOEQO-UHFFFAOYSA-N -1 1 277.729 1.563 20 0 CDADMM CCCCc1ccccc1[N-]S(=O)(=O)CC(=O)OC ZINC001259026359 945470910 /nfs/dbraw/zinc/47/09/10/945470910.db2.gz QQHMNFISYNBEMZ-UHFFFAOYSA-N -1 1 285.365 1.944 20 0 CDADMM C[C@@H](CO)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC001259082674 945481569 /nfs/dbraw/zinc/48/15/69/945481569.db2.gz LPCVMXIGEPPTAY-SSDOTTSWSA-N -1 1 297.298 1.401 20 0 CDADMM Cc1cncnc1[N-]S(=O)(=O)CCc1ccccc1F ZINC001259781672 945628766 /nfs/dbraw/zinc/62/87/66/945628766.db2.gz PYISRRWIDUBEQC-UHFFFAOYSA-N -1 1 295.339 1.909 20 0 CDADMM COC(=O)c1cccc([N-]S(=O)(=O)C2CCCC2)c1O ZINC001259800658 945639823 /nfs/dbraw/zinc/63/98/23/945639823.db2.gz LHMBJZUVNGNOHB-UHFFFAOYSA-N -1 1 299.348 1.863 20 0 CDADMM Cn1cc(S(=O)(=O)[N-]c2cccc(O)c2Cl)cn1 ZINC001259826639 945654904 /nfs/dbraw/zinc/65/49/04/945654904.db2.gz FMUPMIIEPBBZHU-UHFFFAOYSA-N -1 1 287.728 1.580 20 0 CDADMM COc1cc([N-]S(=O)(=O)C2CCOCC2)ncc1C ZINC001259909488 945696718 /nfs/dbraw/zinc/69/67/18/945696718.db2.gz KSEXZKZUBHWUOS-UHFFFAOYSA-N -1 1 286.353 1.319 20 0 CDADMM Cn1ncc2c1cccc2[N-]S(=O)(=O)C1CCOCC1 ZINC001259914949 945700775 /nfs/dbraw/zinc/70/07/75/945700775.db2.gz GRZGTQUTPAOIIC-UHFFFAOYSA-N -1 1 295.364 1.494 20 0 CDADMM Cc1cc2c(c(-c3ccc4n[nH]cc4c3)n1)C(=O)[N-]C2=O ZINC001240210544 945727816 /nfs/dbraw/zinc/72/78/16/945727816.db2.gz WXAULEWIYBTIFQ-UHFFFAOYSA-N -1 1 278.271 1.817 20 0 CDADMM CC[C@H](C)S(=O)(=O)[N-]c1cnn2c1OCCC2 ZINC001260727412 945870334 /nfs/dbraw/zinc/87/03/34/945870334.db2.gz SENFXMGBAQQLMG-QMMMGPOBSA-N -1 1 259.331 1.206 20 0 CDADMM CC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cn[nH]c2)c1 ZINC001260960854 945925517 /nfs/dbraw/zinc/92/55/17/945925517.db2.gz RTCRQLDWDLPQMN-UHFFFAOYSA-N -1 1 283.284 1.552 20 0 CDADMM CCOC(=O)c1[n-]cnc1NC(=O)c1cc(C(C)C)on1 ZINC000362542386 945997374 /nfs/dbraw/zinc/99/73/74/945997374.db2.gz REJHPPIHWRQZDR-UHFFFAOYSA-N -1 1 292.295 1.950 20 0 CDADMM CCO[C@@H](C)n1cc(-c2ccc3c(c2)CC(=O)[N-]C3=O)cn1 ZINC001240756821 946017179 /nfs/dbraw/zinc/01/71/79/946017179.db2.gz RHYDSGNNPQIYGR-JTQLQIEISA-N -1 1 299.330 1.918 20 0 CDADMM COC(=O)c1cc(OC)nc(-c2ccc([O-])c(F)c2)n1 ZINC001240783104 946032498 /nfs/dbraw/zinc/03/24/98/946032498.db2.gz JPLRKLXNXVVWOG-UHFFFAOYSA-N -1 1 278.239 1.784 20 0 CDADMM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(F)c([O-])c2)[C@@H]1OC ZINC001362374101 971203994 /nfs/dbraw/zinc/20/39/94/971203994.db2.gz FNRQEZFHEFJDOW-RTXFEEFZSA-N -1 1 283.299 1.454 20 0 CDADMM [O-]c1cc(F)c(-c2cncc(N3CCOCC3)n2)c(F)c1 ZINC001241117569 946162316 /nfs/dbraw/zinc/16/23/16/946162316.db2.gz SEDRCOMPWSPVFZ-UHFFFAOYSA-N -1 1 293.273 1.964 20 0 CDADMM O=C([O-])c1ccc(-c2ncnc3c2CNC3)cc1F ZINC001241183426 946185363 /nfs/dbraw/zinc/18/53/63/946185363.db2.gz SBGZNIXHRWSRDQ-UHFFFAOYSA-N -1 1 259.240 1.584 20 0 CDADMM C[S@@](=O)c1ccccc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001241341050 946229351 /nfs/dbraw/zinc/22/93/51/946229351.db2.gz ILZSKFMPBQMGTD-HXUWFJFHSA-N -1 1 285.332 1.666 20 0 CDADMM C[S@@](=O)c1ccccc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001241341050 946229360 /nfs/dbraw/zinc/22/93/60/946229360.db2.gz ILZSKFMPBQMGTD-HXUWFJFHSA-N -1 1 285.332 1.666 20 0 CDADMM Cc1cc2c(c(-c3cccc4cnn(C)c43)n1)C(=O)[N-]C2=O ZINC001241456078 946301630 /nfs/dbraw/zinc/30/16/30/946301630.db2.gz REWNTSFDPLSKDQ-UHFFFAOYSA-N -1 1 292.298 1.827 20 0 CDADMM CCNC(=O)c1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001241617341 946395166 /nfs/dbraw/zinc/39/51/66/946395166.db2.gz SIPHEPQNAYZTAY-UHFFFAOYSA-N -1 1 294.318 1.678 20 0 CDADMM CCNC(=O)c1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001241617341 946395174 /nfs/dbraw/zinc/39/51/74/946395174.db2.gz SIPHEPQNAYZTAY-UHFFFAOYSA-N -1 1 294.318 1.678 20 0 CDADMM CCCn1cc(CNC2([C@H](C)C(=O)[O-])CC2)nn1 ZINC001262163085 946481951 /nfs/dbraw/zinc/48/19/51/946481951.db2.gz HBTUQPQMCOKSFI-SECBINFHSA-N -1 1 252.318 1.031 20 0 CDADMM NC(=O)c1cnc(-c2cc(C(F)(F)F)ccc2[O-])cn1 ZINC001242131079 946606152 /nfs/dbraw/zinc/60/61/52/946606152.db2.gz AIYMRJZKXGIRNK-UHFFFAOYSA-N -1 1 283.209 1.967 20 0 CDADMM COc1ccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)cc1O ZINC001242176540 946617597 /nfs/dbraw/zinc/61/75/97/946617597.db2.gz IFLKCRLYFHVQLR-UHFFFAOYSA-N -1 1 283.283 1.880 20 0 CDADMM COC(=O)Cc1ncc(-c2ccc(F)cc2[O-])cn1 ZINC001242217550 946640519 /nfs/dbraw/zinc/64/05/19/946640519.db2.gz DUOITWWCGHKVNI-UHFFFAOYSA-N -1 1 262.240 1.704 20 0 CDADMM COCCn1nccc(-c2ccc(F)cc2[O-])c1=O ZINC001242219563 946641161 /nfs/dbraw/zinc/64/11/61/946641161.db2.gz KTEBFDRWIRBNMM-UHFFFAOYSA-N -1 1 264.256 1.401 20 0 CDADMM O=C([O-])c1cccc(-c2nc(F)nc3nc[nH]c32)c1F ZINC001242378278 946695933 /nfs/dbraw/zinc/69/59/33/946695933.db2.gz PJWJJYRXPIBYPL-UHFFFAOYSA-N -1 1 276.202 1.948 20 0 CDADMM CSc1ncc(C(=O)N[C@@](C)(CO)C(C)C)c(=O)[n-]1 ZINC001362440592 971275857 /nfs/dbraw/zinc/27/58/57/971275857.db2.gz QSRCSAVPTKGMPO-LBPRGKRZSA-N -1 1 285.369 1.041 20 0 CDADMM CCCN1CCCN(CCCCC(=O)[O-])CC1=O ZINC001603674335 974057321 /nfs/dbraw/zinc/05/73/21/974057321.db2.gz HCEIDMVFYIEBGH-UHFFFAOYSA-N -1 1 256.346 1.186 20 0 CDADMM CC(=O)Nc1nc2[nH]cnc2c(-c2ccc(F)c([O-])c2)n1 ZINC001243048816 946998159 /nfs/dbraw/zinc/99/81/59/946998159.db2.gz OSINOSIWDCAFPY-UHFFFAOYSA-N -1 1 287.254 1.775 20 0 CDADMM COc1ccc(-c2ccc(-c3nnn[n-]3)nc2)c(CO)c1 ZINC001243249008 947064692 /nfs/dbraw/zinc/06/46/92/947064692.db2.gz GWBKUYAZYPWUKH-UHFFFAOYSA-N -1 1 283.291 1.430 20 0 CDADMM COc1ccc(-c2ccc(-c3nn[n-]n3)nc2)c(CO)c1 ZINC001243249008 947064704 /nfs/dbraw/zinc/06/47/04/947064704.db2.gz GWBKUYAZYPWUKH-UHFFFAOYSA-N -1 1 283.291 1.430 20 0 CDADMM COc1cc(O)ccc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001243983341 947275049 /nfs/dbraw/zinc/27/50/49/947275049.db2.gz OHTLWJHCTKBYBB-UHFFFAOYSA-N -1 1 269.264 1.643 20 0 CDADMM COc1cc(O)ccc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001243983341 947275055 /nfs/dbraw/zinc/27/50/55/947275055.db2.gz OHTLWJHCTKBYBB-UHFFFAOYSA-N -1 1 269.264 1.643 20 0 CDADMM O=C1Cc2cc(-c3cccc(F)c3CO)ccc2C(=O)[N-]1 ZINC001244564218 947413503 /nfs/dbraw/zinc/41/35/03/947413503.db2.gz ZDSOGANZBBAHHK-UHFFFAOYSA-N -1 1 285.274 1.798 20 0 CDADMM COc1cc(-c2ccc3c(c2)CC(=O)[N-]C3=O)ccc1CO ZINC001244683161 947440351 /nfs/dbraw/zinc/44/03/51/947440351.db2.gz OUYWLRQLORWSRT-UHFFFAOYSA-N -1 1 297.310 1.667 20 0 CDADMM CCCNC(=S)Nc1cc(C(=O)OC)ccc1[O-] ZINC001244883870 947507720 /nfs/dbraw/zinc/50/77/20/947507720.db2.gz HEBWRZADLUZSNJ-UHFFFAOYSA-N -1 1 268.338 1.875 20 0 CDADMM O=C(N[C@H](CCO)c1ccccc1)c1ccc([O-])cn1 ZINC001362555916 971398788 /nfs/dbraw/zinc/39/87/88/971398788.db2.gz MGVQEPNHUMJEPY-CYBMUJFWSA-N -1 1 272.304 1.641 20 0 CDADMM COc1ccnc(-c2nnc([C@@H]3CCOC3)o2)c1[O-] ZINC001255593271 948016460 /nfs/dbraw/zinc/01/64/60/948016460.db2.gz JIKDGYNDJVIWSY-SSDOTTSWSA-N -1 1 263.253 1.350 20 0 CDADMM CC[C@H](CC(F)(F)F)C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC001362616500 971460247 /nfs/dbraw/zinc/46/02/47/971460247.db2.gz IDMOECAGNHJUAC-HTQZYQBOSA-N -1 1 293.293 1.740 20 0 CDADMM COc1c(F)ccc(-c2noc(Cc3nnn[n-]3)n2)c1F ZINC001247139271 948597567 /nfs/dbraw/zinc/59/75/67/948597567.db2.gz FMOOASYBCLWNDS-UHFFFAOYSA-N -1 1 294.221 1.127 20 0 CDADMM COc1c(F)ccc(-c2noc(Cc3nn[n-]n3)n2)c1F ZINC001247139271 948597576 /nfs/dbraw/zinc/59/75/76/948597576.db2.gz FMOOASYBCLWNDS-UHFFFAOYSA-N -1 1 294.221 1.127 20 0 CDADMM CC1(C)CN(Cc2ccc(C(=O)[O-])cc2)C[C@H](CO)O1 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C[C@H](C(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000309803369 950692016 /nfs/dbraw/zinc/69/20/16/950692016.db2.gz KIKQZIDWGRDMHP-SGMGOOAPSA-N -1 1 290.363 1.486 20 0 CDADMM COC[C@@]1(C(=O)[O-])CCN(Cc2nc(CC(C)C)no2)C1 ZINC000315142375 950839494 /nfs/dbraw/zinc/83/94/94/950839494.db2.gz OBARXEMFLZMDBP-CQSZACIVSA-N -1 1 297.355 1.191 20 0 CDADMM CCOC(=O)/C=C\CN1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001590346166 950907427 /nfs/dbraw/zinc/90/74/27/950907427.db2.gz JPXIGWGQUHWRRJ-GTBONMDNSA-N -1 1 289.331 1.790 20 0 CDADMM O=S(=O)([N-]c1cc(O)c(F)c(F)c1)C(F)(F)F ZINC001252355599 951212695 /nfs/dbraw/zinc/21/26/95/951212695.db2.gz UXJOXIFTUFWYMY-UHFFFAOYSA-N -1 1 277.170 1.932 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CC(=O)c2ccccc21 ZINC001362948363 971752176 /nfs/dbraw/zinc/75/21/76/971752176.db2.gz IAFXVUSGXUWAFB-SNVBAGLBSA-N -1 1 271.276 1.732 20 0 CDADMM O=S(=O)(/C=C/c1ccccc1)[N-]c1cccc(CO)n1 ZINC001252963500 951718739 /nfs/dbraw/zinc/71/87/39/951718739.db2.gz 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575464859 /nfs/dbraw/zinc/46/48/59/575464859.db2.gz NELDICOHYBLDNC-UHFFFAOYSA-N -1 1 271.328 1.959 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NCCC1=CCCCC1 ZINC000735399881 575464862 /nfs/dbraw/zinc/46/48/62/575464862.db2.gz NELDICOHYBLDNC-UHFFFAOYSA-N -1 1 271.328 1.959 20 0 CDADMM CC(C)(O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000735680703 575498138 /nfs/dbraw/zinc/49/81/38/575498138.db2.gz XIWQFZLGOQYXCS-UHFFFAOYSA-N -1 1 274.737 1.159 20 0 CDADMM CC(C)(O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000735680703 575498137 /nfs/dbraw/zinc/49/81/37/575498137.db2.gz XIWQFZLGOQYXCS-UHFFFAOYSA-N -1 1 274.737 1.159 20 0 CDADMM C[C@@H](CCc1ccco1)Nc1nccnc1-c1nnn[n-]1 ZINC000735994467 575547831 /nfs/dbraw/zinc/54/78/31/575547831.db2.gz YUXBLWGFYIUOQL-VIFPVBQESA-N -1 1 285.311 1.683 20 0 CDADMM C[C@@H](CCc1ccco1)Nc1nccnc1-c1nn[n-]n1 ZINC000735994467 575547832 /nfs/dbraw/zinc/54/78/32/575547832.db2.gz YUXBLWGFYIUOQL-VIFPVBQESA-N -1 1 285.311 1.683 20 0 CDADMM CC(C)C[C@@H](NC(=O)CN1CCCC(C)(C)C1)C(=O)[O-] ZINC000736413130 575654256 /nfs/dbraw/zinc/65/42/56/575654256.db2.gz RRHGLJOXLXBGRA-GFCCVEGCSA-N -1 1 284.400 1.724 20 0 CDADMM COc1ccc(C(=O)[N-]C(=O)CSc2ncco2)cc1 ZINC000772245502 575675894 /nfs/dbraw/zinc/67/58/94/575675894.db2.gz MGHVTTJSPTXZGZ-UHFFFAOYSA-N -1 1 292.316 1.732 20 0 CDADMM C[C@H](CN(C)Cc1nc(-c2ccoc2)no1)C(=O)[O-] ZINC000736576801 575695083 /nfs/dbraw/zinc/69/50/83/575695083.db2.gz LFGZNOPMFJNKCB-MRVPVSSYSA-N -1 1 265.269 1.482 20 0 CDADMM C[C@H](NCc1nnc2n1CCC[C@H]2C(F)(F)F)C(=O)[O-] ZINC000736663909 575711325 /nfs/dbraw/zinc/71/13/25/575711325.db2.gz IAVZJBUVMGRVFS-NKWVEPMBSA-N -1 1 292.261 1.281 20 0 CDADMM C[C@@H]1CCCC[C@H]1OCCN1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000736785152 575744005 /nfs/dbraw/zinc/74/40/05/575744005.db2.gz NMXKDXNEKSDQLN-FVCCEPFGSA-N -1 1 271.357 1.102 20 0 CDADMM C[C@H]1CN(CCCC(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000736812751 575757175 /nfs/dbraw/zinc/75/71/75/575757175.db2.gz WMIDKNHSQSRGTH-NSHDSACASA-N -1 1 286.372 1.792 20 0 CDADMM CC[C@@](C)(NCC(=O)NC(=O)Nc1ccccc1)C(=O)[O-] ZINC000736860966 575765255 /nfs/dbraw/zinc/76/52/55/575765255.db2.gz FNZQVZKPWXBOTK-CQSZACIVSA-N -1 1 293.323 1.178 20 0 CDADMM CC[C@@H](C)[C@H]1CCCCN1Cn1cc(C(=O)[O-])nn1 ZINC000736880186 575768557 /nfs/dbraw/zinc/76/85/57/575768557.db2.gz NFCAVSNTNYQXKP-ZYHUDNBSSA-N -1 1 266.345 1.834 20 0 CDADMM CO[C@H](C)CCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736959360 575777256 /nfs/dbraw/zinc/77/72/56/575777256.db2.gz BMAZDOHVMCTMAD-SECBINFHSA-N -1 1 299.338 1.647 20 0 CDADMM CO[C@H](C)CCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736959360 575777257 /nfs/dbraw/zinc/77/72/57/575777257.db2.gz BMAZDOHVMCTMAD-SECBINFHSA-N -1 1 299.338 1.647 20 0 CDADMM CCN(CCC(=O)[O-])CN1C[C@@H](c2ccccn2)CC1=O ZINC000737096564 575818605 /nfs/dbraw/zinc/81/86/05/575818605.db2.gz OZTTYZPYYBMNMG-LBPRGKRZSA-N -1 1 291.351 1.152 20 0 CDADMM Cc1cc(COC(=O)c2ccc([O-])cc2F)nn1C ZINC000773570806 575827329 /nfs/dbraw/zinc/82/73/29/575827329.db2.gz CONIJMJBYDXYAW-UHFFFAOYSA-N -1 1 264.256 1.930 20 0 CDADMM CCNC(=O)CN(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000737124309 575828443 /nfs/dbraw/zinc/82/84/43/575828443.db2.gz LNMXQOQNZVHQDE-GFCCVEGCSA-N -1 1 278.352 1.345 20 0 CDADMM Cc1noc(C2CC2)c1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000774003663 575847946 /nfs/dbraw/zinc/84/79/46/575847946.db2.gz YGJFXMLTXQVFJP-SSDOTTSWSA-N -1 1 290.327 1.249 20 0 CDADMM CCOCCN1CCN(Cc2cc(C(=O)[O-])co2)C[C@H]1C ZINC000737177828 575895209 /nfs/dbraw/zinc/89/52/09/575895209.db2.gz TZZDFMADXKYMGL-GFCCVEGCSA-N -1 1 296.367 1.520 20 0 CDADMM C[C@@H](O)CCN(C)C(=O)c1c([O-])cccc1Cl ZINC000764323727 575899728 /nfs/dbraw/zinc/89/97/28/575899728.db2.gz FRLSUCNLKOQLBD-MRVPVSSYSA-N -1 1 257.717 1.889 20 0 CDADMM O=C(c1c([O-])cccc1Cl)N1CCN2C(=O)OC[C@@H]2C1 ZINC000764348303 575900659 /nfs/dbraw/zinc/90/06/59/575900659.db2.gz FHPRKCDZYWKFEW-QMMMGPOBSA-N -1 1 296.710 1.322 20 0 CDADMM CCc1ccc(CN(C)C(=O)CNC(C)(C)C(=O)[O-])cc1 ZINC000737264701 575922455 /nfs/dbraw/zinc/92/24/55/575922455.db2.gz ISMGZCCNUPIDAK-UHFFFAOYSA-N -1 1 292.379 1.660 20 0 CDADMM Cc1cc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)no1 ZINC000737264646 575922497 /nfs/dbraw/zinc/92/24/97/575922497.db2.gz OXYJRLHACYEHRS-UHFFFAOYSA-N -1 1 291.702 1.824 20 0 CDADMM Cc1cc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)no1 ZINC000737264646 575922501 /nfs/dbraw/zinc/92/25/01/575922501.db2.gz OXYJRLHACYEHRS-UHFFFAOYSA-N -1 1 291.702 1.824 20 0 CDADMM Cc1cc([C@H]2CCCN2c2nccnc2-c2nnn[n-]2)no1 ZINC000737266381 575930504 /nfs/dbraw/zinc/93/05/04/575930504.db2.gz YYSWNQAODOEVCP-SNVBAGLBSA-N -1 1 298.310 1.295 20 0 CDADMM Cc1cc([C@H]2CCCN2c2nccnc2-c2nn[n-]n2)no1 ZINC000737266381 575930507 /nfs/dbraw/zinc/93/05/07/575930507.db2.gz YYSWNQAODOEVCP-SNVBAGLBSA-N -1 1 298.310 1.295 20 0 CDADMM CN(C)[C@@H](CNC(=O)C(C)(C)NC(=O)[O-])c1ccsc1 ZINC000737362356 575947184 /nfs/dbraw/zinc/94/71/84/575947184.db2.gz UQHCZTJEWGBYTP-JTQLQIEISA-N -1 1 299.396 1.513 20 0 CDADMM Cc1ccccc1[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC000737421305 575960609 /nfs/dbraw/zinc/96/06/09/575960609.db2.gz LZVKINULSSOJQJ-NSHDSACASA-N -1 1 297.322 1.111 20 0 CDADMM Cc1ccccc1[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC000737421305 575960613 /nfs/dbraw/zinc/96/06/13/575960613.db2.gz LZVKINULSSOJQJ-NSHDSACASA-N -1 1 297.322 1.111 20 0 CDADMM Cc1ccc([C@@H](C)C(=O)N2CCC[C@H](c3nn[n-]n3)C2)o1 ZINC000765111046 575987805 /nfs/dbraw/zinc/98/78/05/575987805.db2.gz VZAJBNVFFNLMEX-MNOVXSKESA-N -1 1 289.339 1.611 20 0 CDADMM ClC1(Cl)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC000737564870 575992833 /nfs/dbraw/zinc/99/28/33/575992833.db2.gz TYEPAYOMQABHIE-YFKPBYRVSA-N -1 1 286.126 1.262 20 0 CDADMM ClC1(Cl)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC000737564870 575992834 /nfs/dbraw/zinc/99/28/34/575992834.db2.gz TYEPAYOMQABHIE-YFKPBYRVSA-N -1 1 286.126 1.262 20 0 CDADMM O=C(c1c([O-])cccc1Cl)N1CC[C@H](CO)C1 ZINC000765242507 576001448 /nfs/dbraw/zinc/00/14/48/576001448.db2.gz QDLIQEBBUIZQMW-QMMMGPOBSA-N -1 1 255.701 1.500 20 0 CDADMM NC(=O)c1cccc(Oc2ncccc2-c2nn[n-]n2)c1 ZINC000737762361 576010542 /nfs/dbraw/zinc/01/05/42/576010542.db2.gz ZCLGKARUQCJQNG-UHFFFAOYSA-N -1 1 282.263 1.153 20 0 CDADMM Cc1cc(C)cc(C(=O)OCc2nc(=O)n(C)[n-]2)c1 ZINC000765388992 576015098 /nfs/dbraw/zinc/01/50/98/576015098.db2.gz HFMMRDHKCNPTPP-UHFFFAOYSA-N -1 1 261.281 1.082 20 0 CDADMM Cn1[n-]c(COC(=O)c2cc3ccccc3cc2O)nc1=O ZINC000765430034 576021288 /nfs/dbraw/zinc/02/12/88/576021288.db2.gz GSZMEYTUNBCXLT-UHFFFAOYSA-N -1 1 299.286 1.324 20 0 CDADMM C[C@H](C(=O)OCc1nc(=O)n(C)[n-]1)c1cccc(F)c1 ZINC000765489452 576029531 /nfs/dbraw/zinc/02/95/31/576029531.db2.gz SJHDFAFVLBTVII-QMMMGPOBSA-N -1 1 279.271 1.094 20 0 CDADMM CCC[C@@H](C(=O)OCc1nc(=O)n(C)[n-]1)C(C)C ZINC000765498968 576031516 /nfs/dbraw/zinc/03/15/16/576031516.db2.gz ZHOSNWCXSKAAMY-SECBINFHSA-N -1 1 255.318 1.224 20 0 CDADMM CSc1ccccc1CC(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765504402 576031779 /nfs/dbraw/zinc/03/17/79/576031779.db2.gz WGWJVRXQSXZVDS-UHFFFAOYSA-N -1 1 293.348 1.116 20 0 CDADMM Cc1n[nH]c(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1C ZINC000738166206 576045539 /nfs/dbraw/zinc/04/55/39/576045539.db2.gz CTQQCGZCKQTUSC-GFCCVEGCSA-N -1 1 287.319 1.972 20 0 CDADMM Cc1ccccc1C[C@H](C)NC(=O)CNC(C)(C)C(=O)[O-] ZINC000738326061 576059544 /nfs/dbraw/zinc/05/95/44/576059544.db2.gz YYFKSPBLKKMJTJ-LBPRGKRZSA-N -1 1 292.379 1.495 20 0 CDADMM Cc1cc(CN(CCC(=O)[O-])C[C@@H]2CCCO2)on1 ZINC000738383487 576065637 /nfs/dbraw/zinc/06/56/37/576065637.db2.gz UOZSGZWLXSKYHA-NSHDSACASA-N -1 1 268.313 1.439 20 0 CDADMM c1ccc(SCCNc2nccnc2-c2nnn[n-]2)cc1 ZINC000738432833 576074246 /nfs/dbraw/zinc/07/42/46/576074246.db2.gz JMOAXKUXCIZVEG-UHFFFAOYSA-N -1 1 299.363 1.861 20 0 CDADMM c1ccc(SCCNc2nccnc2-c2nn[n-]n2)cc1 ZINC000738432833 576074248 /nfs/dbraw/zinc/07/42/48/576074248.db2.gz JMOAXKUXCIZVEG-UHFFFAOYSA-N -1 1 299.363 1.861 20 0 CDADMM O=C([O-])CCN1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000738587855 576092057 /nfs/dbraw/zinc/09/20/57/576092057.db2.gz SWCWHDNBJRHZJE-ZDUSSCGKSA-N -1 1 277.320 1.669 20 0 CDADMM O=C(CCCn1ccccc1=O)[N-]OCC(F)(F)F ZINC000766768571 576133452 /nfs/dbraw/zinc/13/34/52/576133452.db2.gz NIMIEEVOJFDIHT-UHFFFAOYSA-N -1 1 278.230 1.239 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CCC2(COC(=O)N2)CC1 ZINC000768447861 576283945 /nfs/dbraw/zinc/28/39/45/576283945.db2.gz KBDVCNXORYOLGT-UHFFFAOYSA-N -1 1 294.282 1.246 20 0 CDADMM C[C@@H](C(=O)N(CCc1ccccc1)CC(=O)[O-])N(C)C ZINC000769460759 576355762 /nfs/dbraw/zinc/35/57/62/576355762.db2.gz MHJJLAYKZOWWLE-LBPRGKRZSA-N -1 1 278.352 1.092 20 0 CDADMM O=C([O-])c1ccc(OCCNC(=O)C(F)(F)F)cc1 ZINC000740166193 576433855 /nfs/dbraw/zinc/43/38/55/576433855.db2.gz WEBLLOSDSQJJEZ-UHFFFAOYSA-N -1 1 277.198 1.442 20 0 CDADMM CN(C)c1ccc(CCC(=O)[N-]OCC(F)F)cc1 ZINC000760145877 576461474 /nfs/dbraw/zinc/46/14/74/576461474.db2.gz DPQLGXOZAMKPTR-UHFFFAOYSA-N -1 1 272.295 1.998 20 0 CDADMM CC[C@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@H]1O ZINC000760971678 576531034 /nfs/dbraw/zinc/53/10/34/576531034.db2.gz BQSIJFLOHQGPSG-GZMMTYOYSA-N -1 1 269.728 1.889 20 0 CDADMM O=C(COC(=O)C1CC=CC1)[N-]C(=O)c1ccccc1 ZINC000741043143 576535293 /nfs/dbraw/zinc/53/52/93/576535293.db2.gz QYXNWOSCPRDEHZ-UHFFFAOYSA-N -1 1 273.288 1.452 20 0 CDADMM C[C@@H](NC(=O)[C@H](N)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000763017638 576700618 /nfs/dbraw/zinc/70/06/18/576700618.db2.gz CVVBMHWIEDTTAW-HZGVNTEJSA-N -1 1 290.241 1.295 20 0 CDADMM Cn1[n-]c(CN2CCc3cc(C(C)(C)C)ccc32)nc1=O ZINC000754059096 576876627 /nfs/dbraw/zinc/87/66/27/576876627.db2.gz VMEILPVIHRJTLM-UHFFFAOYSA-N -1 1 286.379 1.969 20 0 CDADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ccnc(F)c1 ZINC000748838651 576929125 /nfs/dbraw/zinc/92/91/25/576929125.db2.gz VVBGASPXGPSMLW-LBPRGKRZSA-N -1 1 298.281 1.253 20 0 CDADMM O=C(NCC1(CO)CCOCC1)c1c([O-])cccc1Cl ZINC000749292614 576942584 /nfs/dbraw/zinc/94/25/84/576942584.db2.gz UFRBNRLANHEPRE-UHFFFAOYSA-N -1 1 299.754 1.565 20 0 CDADMM [O-]C(=NO[C@H]1CCCCO1)Nc1nnc(C2CC2)s1 ZINC000749396919 576946697 /nfs/dbraw/zinc/94/66/97/576946697.db2.gz HNDLIVJOQJRUII-QMMMGPOBSA-N -1 1 284.341 1.995 20 0 CDADMM O=C([N-]O[C@H]1CCCCO1)Nc1nnc(C2CC2)s1 ZINC000749396919 576946699 /nfs/dbraw/zinc/94/66/99/576946699.db2.gz HNDLIVJOQJRUII-QMMMGPOBSA-N -1 1 284.341 1.995 20 0 CDADMM CC(=O)Nc1ccc(CC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000749623292 576956226 /nfs/dbraw/zinc/95/62/26/576956226.db2.gz LYEKDIOIRQQRIL-HNNXBMFYSA-N -1 1 292.335 1.762 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(Cc3cn4ccccc4n3)C[C@@H]21 ZINC001602207408 1175165819 /nfs/dbraw/zinc/16/58/19/1175165819.db2.gz YMBTXPRPBVGLKB-PJXYFTJBSA-N -1 1 257.293 1.097 20 0 CDADMM O=C([O-])c1ccc(Cl)c(CN[C@@H]2CCCCNC2=O)c1 ZINC001602360852 1175223761 /nfs/dbraw/zinc/22/37/61/1175223761.db2.gz KBEJCXCQJHGXRE-GFCCVEGCSA-N -1 1 296.754 1.797 20 0 CDADMM C[C@@H](C(=O)[O-])N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000051638962 597056345 /nfs/dbraw/zinc/05/63/45/597056345.db2.gz ZINTZCNDVHEICH-LBPRGKRZSA-N -1 1 282.384 1.574 20 0 CDADMM O=C([O-])CCCCCNC(=O)N1CCN2CCCC[C@H]2C1 ZINC000094442100 597302781 /nfs/dbraw/zinc/30/27/81/597302781.db2.gz BFOZTDVCWHBESB-ZDUSSCGKSA-N -1 1 297.399 1.511 20 0 CDADMM C[C@@H](Cc1ccsc1)N1CCO[C@H](C(=O)[O-])C1 ZINC000689948248 597731310 /nfs/dbraw/zinc/73/13/10/597731310.db2.gz DDBDWOPSRAWRMJ-ONGXEEELSA-N -1 1 255.339 1.465 20 0 CDADMM COc1cc(OC)c(CN(C)CCC(=O)[O-])c(OC)c1 ZINC000086774931 598126780 /nfs/dbraw/zinc/12/67/80/598126780.db2.gz XMUXPEKGOAZCAT-UHFFFAOYSA-N -1 1 283.324 1.619 20 0 CDADMM CC(C)[C@@H](NCC(=O)N1C[C@@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000820221162 598189657 /nfs/dbraw/zinc/18/96/57/598189657.db2.gz JXCBPPGFPPAXLR-GMXVVIOVSA-N -1 1 270.373 1.190 20 0 CDADMM CCC[C@@](C)(NCC(=O)N(C)Cc1ccco1)C(=O)[O-] ZINC000036808055 600461710 /nfs/dbraw/zinc/46/17/10/600461710.db2.gz RLOAXGTVQGAELX-CQSZACIVSA-N -1 1 282.340 1.471 20 0 CDADMM Cc1ccc(CN(C)c2nccnc2-c2nnn[n-]2)s1 ZINC000095213406 598550672 /nfs/dbraw/zinc/55/06/72/598550672.db2.gz SIGRCUMMQUVZKG-UHFFFAOYSA-N -1 1 287.352 1.663 20 0 CDADMM Cc1ccc(CN(C)c2nccnc2-c2nn[n-]n2)s1 ZINC000095213406 598550673 /nfs/dbraw/zinc/55/06/73/598550673.db2.gz SIGRCUMMQUVZKG-UHFFFAOYSA-N -1 1 287.352 1.663 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FBHFOLZSKSHRRJ-UHFFFAOYSA-N -1 1 260.688 1.765 20 0 CDADMM Clc1ccc(Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000102217196 606654687 /nfs/dbraw/zinc/65/46/87/606654687.db2.gz FBHFOLZSKSHRRJ-UHFFFAOYSA-N -1 1 260.688 1.765 20 0 CDADMM CC[C@@H](CCO)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820903727 606823770 /nfs/dbraw/zinc/82/37/70/606823770.db2.gz WXNHQFZSGZGLMT-QMMMGPOBSA-N -1 1 295.368 1.067 20 0 CDADMM CC[C@@H](CCO)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820903727 606823773 /nfs/dbraw/zinc/82/37/73/606823773.db2.gz WXNHQFZSGZGLMT-QMMMGPOBSA-N -1 1 295.368 1.067 20 0 CDADMM c1cc(NCc2ccc(-c3nnn[n-]3)o2)n(CC2CC2)n1 ZINC000823757068 606921747 /nfs/dbraw/zinc/92/17/47/606921747.db2.gz KXVWDUYCDDXMMZ-UHFFFAOYSA-N -1 1 285.311 1.678 20 0 CDADMM c1cc(NCc2ccc(-c3nn[n-]n3)o2)n(CC2CC2)n1 ZINC000823757068 606921748 /nfs/dbraw/zinc/92/17/48/606921748.db2.gz KXVWDUYCDDXMMZ-UHFFFAOYSA-N -1 1 285.311 1.678 20 0 CDADMM Cc1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)o1 ZINC000822227497 607023914 /nfs/dbraw/zinc/02/39/14/607023914.db2.gz LFCCLUNPOULRSP-UHFFFAOYSA-N -1 1 276.281 1.477 20 0 CDADMM Cc1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)o1 ZINC000822227497 607023915 /nfs/dbraw/zinc/02/39/15/607023915.db2.gz LFCCLUNPOULRSP-UHFFFAOYSA-N -1 1 276.281 1.477 20 0 CDADMM CC(C)N(CC(F)F)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820116832 607192254 /nfs/dbraw/zinc/19/22/54/607192254.db2.gz PKFDOHALWLKQAX-UHFFFAOYSA-N -1 1 296.281 1.377 20 0 CDADMM CC(C)N(CC(F)F)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820116832 607192255 /nfs/dbraw/zinc/19/22/55/607192255.db2.gz PKFDOHALWLKQAX-UHFFFAOYSA-N -1 1 296.281 1.377 20 0 CDADMM Cc1cc(COc2cccc(F)c2-c2nnn[n-]2)nn1C ZINC000826267426 607863655 /nfs/dbraw/zinc/86/36/55/607863655.db2.gz FMPQHOHTHWUCCI-UHFFFAOYSA-N -1 1 288.286 1.627 20 0 CDADMM Cc1cc(COc2cccc(F)c2-c2nn[n-]n2)nn1C ZINC000826267426 607863656 /nfs/dbraw/zinc/86/36/56/607863656.db2.gz FMPQHOHTHWUCCI-UHFFFAOYSA-N -1 1 288.286 1.627 20 0 CDADMM Cn1ccnc1Sc1cccc(-c2nnn[n-]2)n1 ZINC000095336168 607894669 /nfs/dbraw/zinc/89/46/69/607894669.db2.gz ZZJKJDNFAYOKDE-UHFFFAOYSA-N -1 1 259.298 1.146 20 0 CDADMM Cn1ccnc1Sc1cccc(-c2nn[n-]n2)n1 ZINC000095336168 607894670 /nfs/dbraw/zinc/89/46/70/607894670.db2.gz ZZJKJDNFAYOKDE-UHFFFAOYSA-N -1 1 259.298 1.146 20 0 CDADMM C[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)[C@H]1C ZINC000824946351 607899628 /nfs/dbraw/zinc/89/96/28/607899628.db2.gz IULMCVHKFDPCGY-UWVGGRQHSA-N -1 1 258.329 1.887 20 0 CDADMM C[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)[C@H]1C ZINC000824946351 607899629 /nfs/dbraw/zinc/89/96/29/607899629.db2.gz IULMCVHKFDPCGY-UWVGGRQHSA-N -1 1 258.329 1.887 20 0 CDADMM COC(=O)[C@H](Nc1cccc(-c2nnn[n-]2)n1)C(C)(C)C ZINC000826111330 607901760 /nfs/dbraw/zinc/90/17/60/607901760.db2.gz CZPOHLCFRSUAGQ-JTQLQIEISA-N -1 1 290.327 1.261 20 0 CDADMM COC(=O)[C@H](Nc1cccc(-c2nn[n-]n2)n1)C(C)(C)C ZINC000826111330 607901761 /nfs/dbraw/zinc/90/17/61/607901761.db2.gz CZPOHLCFRSUAGQ-JTQLQIEISA-N -1 1 290.327 1.261 20 0 CDADMM CCCn1cc(NCc2ccc(-c3nnn[n-]3)o2)cn1 ZINC000825363206 608055450 /nfs/dbraw/zinc/05/54/50/608055450.db2.gz VOBMJPDBWDZZRK-UHFFFAOYSA-N -1 1 273.300 1.678 20 0 CDADMM CCCn1cc(NCc2ccc(-c3nn[n-]n3)o2)cn1 ZINC000825363206 608055451 /nfs/dbraw/zinc/05/54/51/608055451.db2.gz VOBMJPDBWDZZRK-UHFFFAOYSA-N -1 1 273.300 1.678 20 0 CDADMM CCn1cc(NCc2ccc(-c3nn[n-]n3)s2)cn1 ZINC000825799525 608055529 /nfs/dbraw/zinc/05/55/29/608055529.db2.gz NQABUIRCMDYCRG-UHFFFAOYSA-N -1 1 275.341 1.757 20 0 CDADMM C[C@H]1CCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000824962189 608178713 /nfs/dbraw/zinc/17/87/13/608178713.db2.gz PTENXRBAOXCZNW-BYPYZUCNSA-N -1 1 256.722 1.575 20 0 CDADMM C[C@H]1CCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000824962189 608178714 /nfs/dbraw/zinc/17/87/14/608178714.db2.gz PTENXRBAOXCZNW-BYPYZUCNSA-N -1 1 256.722 1.575 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC1C2CC3CC(C2)CC1C3 ZINC000826514618 608392599 /nfs/dbraw/zinc/39/25/99/608392599.db2.gz XKOXNOLJSVVUFX-UHFFFAOYSA-N -1 1 297.366 1.893 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC1C2CC3CC(C2)CC1C3 ZINC000826514618 608392600 /nfs/dbraw/zinc/39/26/00/608392600.db2.gz XKOXNOLJSVVUFX-UHFFFAOYSA-N -1 1 297.366 1.893 20 0 CDADMM CCN(Cc1cccs1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825439987 608394730 /nfs/dbraw/zinc/39/47/30/608394730.db2.gz WYTCMFUMOTVADP-UHFFFAOYSA-N -1 1 287.352 1.745 20 0 CDADMM CCN(Cc1cccs1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825439987 608394731 /nfs/dbraw/zinc/39/47/31/608394731.db2.gz WYTCMFUMOTVADP-UHFFFAOYSA-N -1 1 287.352 1.745 20 0 CDADMM COCc1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826164805 608400226 /nfs/dbraw/zinc/40/02/26/608400226.db2.gz RAFSMSCGJCUFLB-UHFFFAOYSA-N -1 1 297.322 1.415 20 0 CDADMM COCc1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826164805 608400227 /nfs/dbraw/zinc/40/02/27/608400227.db2.gz RAFSMSCGJCUFLB-UHFFFAOYSA-N -1 1 297.322 1.415 20 0 CDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC000824656126 608416919 /nfs/dbraw/zinc/41/69/19/608416919.db2.gz HXYIPMRQFBJYJI-QMMMGPOBSA-N -1 1 268.284 1.225 20 0 CDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC000824656126 608416920 /nfs/dbraw/zinc/41/69/20/608416920.db2.gz HXYIPMRQFBJYJI-QMMMGPOBSA-N -1 1 268.284 1.225 20 0 CDADMM CC[C@@H](C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825058817 608424805 /nfs/dbraw/zinc/42/48/05/608424805.db2.gz AGFDQXUSIMZCCK-BDAKNGLRSA-N -1 1 261.333 1.893 20 0 CDADMM CC[C@@H](C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825058817 608424806 /nfs/dbraw/zinc/42/48/06/608424806.db2.gz AGFDQXUSIMZCCK-BDAKNGLRSA-N -1 1 261.333 1.893 20 0 CDADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1CCCOC1 ZINC000824663102 609562023 /nfs/dbraw/zinc/56/20/23/609562023.db2.gz VTZQMHFBOURKNQ-VHSXEESVSA-N -1 1 274.328 1.489 20 0 CDADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1CCCOC1 ZINC000824663102 609562026 /nfs/dbraw/zinc/56/20/26/609562026.db2.gz VTZQMHFBOURKNQ-VHSXEESVSA-N -1 1 274.328 1.489 20 0 CDADMM Clc1ccc(NCC[C@H]2CCOC2)nc1-c1nnn[n-]1 ZINC000826352922 609603377 /nfs/dbraw/zinc/60/33/77/609603377.db2.gz TVAYQJJZVDGMBI-QMMMGPOBSA-N -1 1 294.746 1.754 20 0 CDADMM Clc1ccc(NCC[C@H]2CCOC2)nc1-c1nn[n-]n1 ZINC000826352922 609603379 /nfs/dbraw/zinc/60/33/79/609603379.db2.gz TVAYQJJZVDGMBI-QMMMGPOBSA-N -1 1 294.746 1.754 20 0 CDADMM O=C([N-][C@@H]1COC[C@@H]1C1CC1)C(F)(F)C(F)F ZINC000891057772 617357944 /nfs/dbraw/zinc/35/79/44/617357944.db2.gz OSJNXEMAKSRGJH-RNFRBKRXSA-N -1 1 255.211 1.428 20 0 CDADMM COCCC(C)(C)CNc1cc(=O)[n-]c(COC)n1 ZINC000893176922 617441020 /nfs/dbraw/zinc/44/10/20/617441020.db2.gz XQVUVSCAAWMWEK-UHFFFAOYSA-N -1 1 269.345 1.803 20 0 CDADMM COCc1nc(N2CCCC[C@@H](C)C2)cc(=O)[n-]1 ZINC000893246316 617487954 /nfs/dbraw/zinc/48/79/54/617487954.db2.gz WTSYDIIEKKUKNF-SNVBAGLBSA-N -1 1 251.330 1.955 20 0 CDADMM C[C@@]1(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CCOC1 ZINC000891618250 617507038 /nfs/dbraw/zinc/50/70/38/617507038.db2.gz NXQSMWFFKRSYLC-CQSZACIVSA-N -1 1 277.324 1.426 20 0 CDADMM C[C@@H]1COCC[C@@H]1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891619497 617507345 /nfs/dbraw/zinc/50/73/45/617507345.db2.gz ZYQDZACVSMTWQE-ZJUUUORDSA-N -1 1 291.351 1.672 20 0 CDADMM O=C(COC1CCCC1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891623158 617509385 /nfs/dbraw/zinc/50/93/85/617509385.db2.gz HVGYYUUVHOXTQL-UHFFFAOYSA-N -1 1 291.351 1.959 20 0 CDADMM COCc1nc(NCc2cccnc2OC)cc(=O)[n-]1 ZINC000891714357 617551643 /nfs/dbraw/zinc/55/16/43/617551643.db2.gz OGEXNYLIVUFWSS-UHFFFAOYSA-N -1 1 276.296 1.344 20 0 CDADMM COC(=O)c1ccc(C(=O)OCc2c(C)nn(C)c2C)[n-]1 ZINC000893316717 617562084 /nfs/dbraw/zinc/56/20/84/617562084.db2.gz SBKXEEHITPRMPT-UHFFFAOYSA-N -1 1 291.307 1.509 20 0 CDADMM Cc1nc2cccc(C(=O)N[C@@](C)(C(=O)[O-])C3CC3)c2[nH]1 ZINC000909326047 617685622 /nfs/dbraw/zinc/68/56/22/617685622.db2.gz NNIDBQWQCUBDHE-OAHLLOKOSA-N -1 1 287.319 1.854 20 0 CDADMM COCc1nc(N[C@H]2C[C@H](OC)C2(C)C)cc(=O)[n-]1 ZINC000892871269 617846692 /nfs/dbraw/zinc/84/66/92/617846692.db2.gz URHNYAZVUWPTPO-IUCAKERBSA-N -1 1 267.329 1.554 20 0 CDADMM C[C@H]1C[C@@H](C(=O)OCCC[N-]C(=O)C(F)(F)F)CO1 ZINC000784272607 617848411 /nfs/dbraw/zinc/84/84/11/617848411.db2.gz QWGFXGJLFYQHTP-JGVFFNPUSA-N -1 1 283.246 1.023 20 0 CDADMM C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccccc1F)N(C)C ZINC000909357644 617910477 /nfs/dbraw/zinc/91/04/77/617910477.db2.gz FJMGPMXMYUEKFN-KCJUWKMLSA-N -1 1 268.288 1.018 20 0 CDADMM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)N(C)C ZINC000909360705 617928461 /nfs/dbraw/zinc/92/84/61/617928461.db2.gz BBBKTDVLDSIARO-SKDRFNHKSA-N -1 1 298.770 1.922 20 0 CDADMM CN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1nn[n-]n1 ZINC000892954082 617975380 /nfs/dbraw/zinc/97/53/80/617975380.db2.gz CGUQONXIOLIZSS-GARJFASQSA-N -1 1 263.345 1.769 20 0 CDADMM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@@H](C)N(C)C ZINC000909373607 617995592 /nfs/dbraw/zinc/99/55/92/617995592.db2.gz BANOLYJNOOIZMC-YPMHNXCESA-N -1 1 278.352 1.577 20 0 CDADMM CCC(CC)(CNC(=O)[C@@H]1CCc2nc[nH]c2C1)C(=O)[O-] ZINC000909381425 618035788 /nfs/dbraw/zinc/03/57/88/618035788.db2.gz AJERTIHKBXNNCB-SNVBAGLBSA-N -1 1 293.367 1.522 20 0 CDADMM CCC[C@H]1CN(c2cc(=O)[n-]c(COC)n2)CCO1 ZINC000893019216 618062698 /nfs/dbraw/zinc/06/26/98/618062698.db2.gz PCBNMFWUFPDCID-JTQLQIEISA-N -1 1 267.329 1.334 20 0 CDADMM COCc1nc(NCC2=CCCOC2)cc(=O)[n-]1 ZINC000893867516 618105755 /nfs/dbraw/zinc/10/57/55/618105755.db2.gz OMGVZFIACXQTDN-UHFFFAOYSA-N -1 1 251.286 1.087 20 0 CDADMM CCOCCN(CC)c1cc(=O)[n-]c(COC)n1 ZINC000892408874 618162507 /nfs/dbraw/zinc/16/25/07/618162507.db2.gz OEHIIPNOPOYGCH-UHFFFAOYSA-N -1 1 255.318 1.191 20 0 CDADMM O=C(c1cc(F)ccc1[O-])N1CCC(=O)N2CCC[C@H]21 ZINC000888171080 620807319 /nfs/dbraw/zinc/80/73/19/620807319.db2.gz YVXZDKAAIDXHPG-GFCCVEGCSA-N -1 1 278.283 1.326 20 0 CDADMM Cc1sc(NC(=O)CN(C)C(C)C)nc1C(=O)[O-] ZINC000910786380 618483315 /nfs/dbraw/zinc/48/33/15/618483315.db2.gz MOHYZYJOBMPKCS-UHFFFAOYSA-N -1 1 271.342 1.428 20 0 CDADMM CC(C)(CNC(=O)[C@@H]1CCCN1C1CC1)CC(=O)[O-] ZINC000910830864 618542645 /nfs/dbraw/zinc/54/26/45/618542645.db2.gz DZEXCGBMSMGZTG-NSHDSACASA-N -1 1 268.357 1.230 20 0 CDADMM C[C@H]1CN(Cc2nc(N)c3ccccc3n2)C[C@@H]1C(=O)[O-] ZINC000828461694 618621840 /nfs/dbraw/zinc/62/18/40/618621840.db2.gz BJOYDINIQORXAG-ONGXEEELSA-N -1 1 286.335 1.365 20 0 CDADMM COCc1nc(N2CCC[C@@H]2[C@@H]2CCCOC2)cc(=O)[n-]1 ZINC000894342235 618799848 /nfs/dbraw/zinc/79/98/48/618799848.db2.gz PAEJZYYYSWTCAK-VXGBXAGGSA-N -1 1 293.367 1.724 20 0 CDADMM COCc1nc(N2C[C@H](C)OC3(CCCC3)C2)cc(=O)[n-]1 ZINC000894364693 618823645 /nfs/dbraw/zinc/82/36/45/618823645.db2.gz UEYYPTMOIYOJNH-NSHDSACASA-N -1 1 293.367 1.867 20 0 CDADMM Cn1[n-]c(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)nc1=O ZINC000792899192 619127502 /nfs/dbraw/zinc/12/75/02/619127502.db2.gz DCJOEZGFDBZHQM-XCBNKYQSSA-N -1 1 291.182 1.124 20 0 CDADMM CN(CC(=O)NCCc1cccc(C(=O)[O-])c1)C1CCC1 ZINC000909462676 619339004 /nfs/dbraw/zinc/33/90/04/619339004.db2.gz LGEZBJSGMCTHGA-UHFFFAOYSA-N -1 1 290.363 1.528 20 0 CDADMM CN(C)C1(C(=O)NCCCCCCCC(=O)[O-])CC1 ZINC000909468690 619346637 /nfs/dbraw/zinc/34/66/37/619346637.db2.gz WBAPUPCBZUHBCZ-UHFFFAOYSA-N -1 1 270.373 1.622 20 0 CDADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CCc2c[nH]nn2)C1 ZINC000909489447 619395049 /nfs/dbraw/zinc/39/50/49/619395049.db2.gz UKDUJZNPBXHSBF-SNVBAGLBSA-N -1 1 294.355 1.087 20 0 CDADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CCc2cnn[nH]2)C1 ZINC000909489447 619395053 /nfs/dbraw/zinc/39/50/53/619395053.db2.gz UKDUJZNPBXHSBF-SNVBAGLBSA-N -1 1 294.355 1.087 20 0 CDADMM COc1ccc(F)cc1CS(=O)(=O)[N-][C@@H](C)C(F)F ZINC000882870176 619584215 /nfs/dbraw/zinc/58/42/15/619584215.db2.gz BZZWSFAGWMLASL-ZETCQYMHSA-N -1 1 297.298 1.907 20 0 CDADMM CO[C@@H]1CN(Cc2cccc([O-])c2Cl)CCO1 ZINC000895962158 619918094 /nfs/dbraw/zinc/91/80/94/619918094.db2.gz HPUTXAIJPZWEGQ-NSHDSACASA-N -1 1 257.717 1.850 20 0 CDADMM O=c1nc(N[C@@H]2CCCc3cccnc32)nc2[nH][n-]cc1-2 ZINC000896413555 620091373 /nfs/dbraw/zinc/09/13/73/620091373.db2.gz RTQXAZQJXWBXBX-SNVBAGLBSA-N -1 1 282.307 1.317 20 0 CDADMM O=C(CCC(=O)NC1CCCC1)[N-]OCc1ccccn1 ZINC000909543310 620273848 /nfs/dbraw/zinc/27/38/48/620273848.db2.gz GIAANSTWMJAMFD-UHFFFAOYSA-N -1 1 291.351 1.468 20 0 CDADMM Cc1cc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)ccc1F ZINC000909568900 620309505 /nfs/dbraw/zinc/30/95/05/620309505.db2.gz JVSZOELXOBKDKL-LLVKDONJSA-N -1 1 294.326 1.869 20 0 CDADMM C[C@H](NC(=O)c1[nH]nc2c1CCCCC2)[C@H](C)C(=O)[O-] ZINC000909647926 620541724 /nfs/dbraw/zinc/54/17/24/620541724.db2.gz IZBRZUNFWGWFOC-IUCAKERBSA-N -1 1 279.340 1.518 20 0 CDADMM C[C@@H](NC(=O)c1cccc2nc[nH]c21)[C@@H](C)C(=O)[O-] ZINC000909650080 620545167 /nfs/dbraw/zinc/54/51/67/620545167.db2.gz GVUUPKITRAEALJ-HTQZYQBOSA-N -1 1 261.281 1.402 20 0 CDADMM Cc1nc2cccc(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])c2[nH]1 ZINC000909652857 620566407 /nfs/dbraw/zinc/56/64/07/620566407.db2.gz SDEOIOXIMCIUSP-JGVFFNPUSA-N -1 1 275.308 1.710 20 0 CDADMM CC(C)[C@@H](C(=O)[O-])C(=O)NCc1cc(N(C)C)ccn1 ZINC000902815286 625468006 /nfs/dbraw/zinc/46/80/06/625468006.db2.gz UCQQWTMKKFMVGK-GFCCVEGCSA-N -1 1 279.340 1.121 20 0 CDADMM CC(C)(C)OC(=O)c1cc(NC(=O)[C@H]2CCCCO2)n[nH]1 ZINC000898095858 621333223 /nfs/dbraw/zinc/33/32/23/621333223.db2.gz GGVDIRZSVRYRKK-SNVBAGLBSA-N -1 1 295.339 1.873 20 0 CDADMM C[C@@H]1CCCC[C@H]1C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898755379 621860488 /nfs/dbraw/zinc/86/04/88/621860488.db2.gz QCZZNKXJOQCDKD-RKDXNWHRSA-N -1 1 265.313 1.330 20 0 CDADMM CCCC[C@](C)(F)C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898754463 621865391 /nfs/dbraw/zinc/86/53/91/621865391.db2.gz IBNCLGNSIDFLHG-LBPRGKRZSA-N -1 1 271.292 1.422 20 0 CDADMM CCCC1(C(=O)NCc2nc([O-])cc(=O)[nH]2)CCC1 ZINC000898755017 621865699 /nfs/dbraw/zinc/86/56/99/621865699.db2.gz FDTTYHIWAAGHMT-UHFFFAOYSA-N -1 1 265.313 1.474 20 0 CDADMM CC(C)(C(=O)NCc1nc([O-])cc(=O)[nH]1)c1ccccc1 ZINC000898754888 621865883 /nfs/dbraw/zinc/86/58/83/621865883.db2.gz ZDLJAINUYNVPKP-UHFFFAOYSA-N -1 1 287.319 1.482 20 0 CDADMM O=C([O-])c1ccccc1-n1[nH]c(C2CCOCC2)cc1=O ZINC000899348668 622202799 /nfs/dbraw/zinc/20/27/99/622202799.db2.gz GRQZNUDOLHCZLC-UHFFFAOYSA-N -1 1 288.303 1.904 20 0 CDADMM Cc1nn(C)cc1CN[C@@H]1CCCn2nc(C(=O)[O-])cc21 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283.368 1.905 20 0 CDADMM COCCCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736982021 633254870 /nfs/dbraw/zinc/25/48/70/633254870.db2.gz QAXUPMBJPUFHME-UHFFFAOYSA-N -1 1 282.735 1.754 20 0 CDADMM COCCCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736982021 633254874 /nfs/dbraw/zinc/25/48/74/633254874.db2.gz QAXUPMBJPUFHME-UHFFFAOYSA-N -1 1 282.735 1.754 20 0 CDADMM O=c1nc2[nH]cnc2c(Nc2nccc(-c3ccco3)n2)[n-]1 ZINC001170226159 1162315400 /nfs/dbraw/zinc/31/54/00/1162315400.db2.gz DQSJSHMGAJSTGL-UHFFFAOYSA-N -1 1 295.262 1.852 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2cc3ccccc3[n+]([O-])c2)[n-]1 ZINC001170228025 1162318092 /nfs/dbraw/zinc/31/80/92/1162318092.db2.gz AOWZLLOZEVFAJR-UHFFFAOYSA-N -1 1 294.274 1.589 20 0 CDADMM CC(C)Oc1ncc(Nc2[n-]c(=O)nc3nc[nH]c32)cn1 ZINC001170230535 1162318840 /nfs/dbraw/zinc/31/88/40/1162318840.db2.gz UPGSPJMEALEUCA-UHFFFAOYSA-N -1 1 287.283 1.379 20 0 CDADMM C[C@@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC000095254518 1158537517 /nfs/dbraw/zinc/53/75/17/1158537517.db2.gz SHDNEQJQKBDUTB-OPRDCNLKSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC000095254518 1158537521 /nfs/dbraw/zinc/53/75/21/1158537521.db2.gz SHDNEQJQKBDUTB-OPRDCNLKSA-N -1 1 273.344 1.893 20 0 CDADMM Cc1ccnn1-c1ccc(C(=O)Nc2c[n-][nH]c2=O)cc1 ZINC001648814267 1158574433 /nfs/dbraw/zinc/57/44/33/1158574433.db2.gz KLZQVETXXRVVQJ-UHFFFAOYSA-N -1 1 283.291 1.862 20 0 CDADMM NC(=O)[C@@]12C[C@@H]1CCN2C(=O)c1c([O-])ccc2ccccc21 ZINC001269088489 1160030073 /nfs/dbraw/zinc/03/00/73/1160030073.db2.gz DTEFPLQRHRKUET-APPDUMDISA-N -1 1 296.326 1.635 20 0 CDADMM CCCCC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001604157145 1163110407 /nfs/dbraw/zinc/11/04/07/1163110407.db2.gz WBZSETSFTYBFHO-UHFFFAOYSA-N -1 1 294.336 1.844 20 0 CDADMM CCCCC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001604157145 1163110411 /nfs/dbraw/zinc/11/04/11/1163110411.db2.gz WBZSETSFTYBFHO-UHFFFAOYSA-N -1 1 294.336 1.844 20 0 CDADMM CCCCCOC1CN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001604180567 1163116768 /nfs/dbraw/zinc/11/67/68/1163116768.db2.gz SOJWGYBLHLDCDN-UHFFFAOYSA-N -1 1 289.343 1.052 20 0 CDADMM CCCCCOC1CN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001604180567 1163116775 /nfs/dbraw/zinc/11/67/75/1163116775.db2.gz SOJWGYBLHLDCDN-UHFFFAOYSA-N -1 1 289.343 1.052 20 0 CDADMM CO[C@H](CNC(=O)c1ccc([O-])cc1F)C(C)C ZINC000381313644 1160735347 /nfs/dbraw/zinc/73/53/47/1160735347.db2.gz UQSVOYXGCSTURS-GFCCVEGCSA-N -1 1 255.289 1.932 20 0 CDADMM CCN(CCOC)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001604319617 1163147912 /nfs/dbraw/zinc/14/79/12/1163147912.db2.gz STDMTTYVTHDTGA-UHFFFAOYSA-N -1 1 289.343 1.007 20 0 CDADMM CCN(CCOC)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001604319617 1163147915 /nfs/dbraw/zinc/14/79/15/1163147915.db2.gz STDMTTYVTHDTGA-UHFFFAOYSA-N -1 1 289.343 1.007 20 0 CDADMM CC(C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](OCC[P@](=O)([O-])O)C2 ZINC001224600866 1160777672 /nfs/dbraw/zinc/77/76/72/1160777672.db2.gz AYGWELMZFZRRPN-GDNZZTSVSA-N -1 1 277.301 1.585 20 0 CDADMM Cc1ccc(C(=O)NCc2nc([O-])cc(=O)[nH]2)cc1 ZINC001168430116 1161064919 /nfs/dbraw/zinc/06/49/19/1161064919.db2.gz LHXWKSHWVUWRJW-UHFFFAOYSA-N -1 1 259.265 1.126 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](SC)C2)n1 ZINC001604544331 1163224871 /nfs/dbraw/zinc/22/48/71/1163224871.db2.gz JUOVWJYHCNURRY-QMMMGPOBSA-N -1 1 291.384 1.161 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](SC)C2)n1 ZINC001604544331 1163224876 /nfs/dbraw/zinc/22/48/76/1163224876.db2.gz JUOVWJYHCNURRY-QMMMGPOBSA-N -1 1 291.384 1.161 20 0 CDADMM COC[C@]1(C(=O)[O-])CN([C@H](C)c2cccc(C)c2)CCO1 ZINC001604558171 1163230407 /nfs/dbraw/zinc/23/04/07/1163230407.db2.gz MCYBBQODVQYUDH-CJNGLKHVSA-N -1 1 293.363 1.858 20 0 CDADMM CN(CC(C)(C)C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604713098 1163292207 /nfs/dbraw/zinc/29/22/07/1163292207.db2.gz ZBROHAPHDMWVNS-UHFFFAOYSA-N -1 1 263.301 1.578 20 0 CDADMM CN(CC(C)(C)C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001604713098 1163292211 /nfs/dbraw/zinc/29/22/11/1163292211.db2.gz ZBROHAPHDMWVNS-UHFFFAOYSA-N -1 1 263.301 1.578 20 0 CDADMM CN(c1ncncc1-c1nn[n-]n1)C1CCCCC1 ZINC001604837047 1163348540 /nfs/dbraw/zinc/34/85/40/1163348540.db2.gz OHDDQEOVCBXFFG-UHFFFAOYSA-N -1 1 259.317 1.426 20 0 CDADMM COC(=O)[C@H](C)Sc1snc(C)c1-c1nnn[n-]1 ZINC001604903127 1163375601 /nfs/dbraw/zinc/37/56/01/1163375601.db2.gz UCKHCLKGWZPHID-YFKPBYRVSA-N -1 1 285.354 1.285 20 0 CDADMM COC(=O)[C@H](C)Sc1snc(C)c1-c1nn[n-]n1 ZINC001604903127 1163375604 /nfs/dbraw/zinc/37/56/04/1163375604.db2.gz UCKHCLKGWZPHID-YFKPBYRVSA-N -1 1 285.354 1.285 20 0 CDADMM CC[C@@H](C)c1nc([C@@H](C)NC(=O)C2(C(=O)[O-])CC2)n[nH]1 ZINC001604976834 1163403551 /nfs/dbraw/zinc/40/35/51/1163403551.db2.gz MKRXIVYWGBXJGF-HTQZYQBOSA-N -1 1 280.328 1.360 20 0 CDADMM COCC1(CCNc2cncc(-c3nnn[n-]3)n2)CCC1 ZINC001605065944 1163438523 /nfs/dbraw/zinc/43/85/23/1163438523.db2.gz BRPPGOUDSJZZTK-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM COCC1(CCNc2cncc(-c3nn[n-]n3)n2)CCC1 ZINC001605065944 1163438526 /nfs/dbraw/zinc/43/85/26/1163438526.db2.gz BRPPGOUDSJZZTK-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM CC[C@@H]1CN(C)CCN1[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001605173045 1163475672 /nfs/dbraw/zinc/47/56/72/1163475672.db2.gz KJJVCYWQHPOYJZ-VHSXEESVSA-N -1 1 283.397 1.928 20 0 CDADMM COc1cccc(CN(C)c2cc(-c3nnn[n-]3)ncn2)c1 ZINC001605316773 1163522194 /nfs/dbraw/zinc/52/21/94/1163522194.db2.gz GUOOVRJCWJEXOG-UHFFFAOYSA-N -1 1 297.322 1.302 20 0 CDADMM COc1cccc(CN(C)c2cc(-c3nn[n-]n3)ncn2)c1 ZINC001605316773 1163522199 /nfs/dbraw/zinc/52/21/99/1163522199.db2.gz GUOOVRJCWJEXOG-UHFFFAOYSA-N -1 1 297.322 1.302 20 0 CDADMM COc1cccc(CNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001605318359 1163523162 /nfs/dbraw/zinc/52/31/62/1163523162.db2.gz UFKQQFZRAXGINR-UHFFFAOYSA-N -1 1 282.307 1.304 20 0 CDADMM COc1cccc(CNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001605318359 1163523170 /nfs/dbraw/zinc/52/31/70/1163523170.db2.gz UFKQQFZRAXGINR-UHFFFAOYSA-N -1 1 282.307 1.304 20 0 CDADMM Cc1c(-c2nnn[n-]2)c(NC(=O)C[C@H]2C=CCC2)nn1C ZINC001605465207 1163574094 /nfs/dbraw/zinc/57/40/94/1163574094.db2.gz HHCMOHOIYQNJHV-VIFPVBQESA-N -1 1 287.327 1.203 20 0 CDADMM Cc1c(-c2nn[n-]n2)c(NC(=O)C[C@H]2C=CCC2)nn1C ZINC001605465207 1163574095 /nfs/dbraw/zinc/57/40/95/1163574095.db2.gz HHCMOHOIYQNJHV-VIFPVBQESA-N -1 1 287.327 1.203 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CCCC[C@H]3C2)n1 ZINC001605557850 1163608303 /nfs/dbraw/zinc/60/83/03/1163608303.db2.gz PCUYMRGYYMOJDV-QWRGUYRKSA-N -1 1 285.355 1.592 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CCCC[C@H]3C2)n1 ZINC001605557850 1163608306 /nfs/dbraw/zinc/60/83/06/1163608306.db2.gz PCUYMRGYYMOJDV-QWRGUYRKSA-N -1 1 285.355 1.592 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](C)[C@@H]2C)n1 ZINC001605560921 1163611171 /nfs/dbraw/zinc/61/11/71/1163611171.db2.gz LRQLRVOXBAXNBO-WPRPVWTQSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](C)[C@@H]2C)n1 ZINC001605560921 1163611174 /nfs/dbraw/zinc/61/11/74/1163611174.db2.gz LRQLRVOXBAXNBO-WPRPVWTQSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1cc(N2CCO[C@H](C3CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001605700244 1163644354 /nfs/dbraw/zinc/64/43/54/1163644354.db2.gz OIULOPIWNVFCQL-ZDUSSCGKSA-N -1 1 286.339 1.185 20 0 CDADMM Cc1cc(N2CCO[C@H](C3CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001605700244 1163644358 /nfs/dbraw/zinc/64/43/58/1163644358.db2.gz OIULOPIWNVFCQL-ZDUSSCGKSA-N -1 1 286.339 1.185 20 0 CDADMM Cc1cc(NCC(C)(C)C[C@@H](C)O)nc(-c2nnn[n-]2)c1 ZINC001605724391 1163651263 /nfs/dbraw/zinc/65/12/63/1163651263.db2.gz VZGMBBITDJVFDO-SNVBAGLBSA-N -1 1 290.371 1.779 20 0 CDADMM Cc1cc(NCC(C)(C)C[C@@H](C)O)nc(-c2nn[n-]n2)c1 ZINC001605724391 1163651268 /nfs/dbraw/zinc/65/12/68/1163651268.db2.gz VZGMBBITDJVFDO-SNVBAGLBSA-N -1 1 290.371 1.779 20 0 CDADMM Cc1cc(NCCC[C@H](C)CO)nc(-c2nnn[n-]2)c1 ZINC001605731263 1163653623 /nfs/dbraw/zinc/65/36/23/1163653623.db2.gz UKSANRKFCIMKDL-VIFPVBQESA-N -1 1 276.344 1.391 20 0 CDADMM Cc1cc(NCCC[C@H](C)CO)nc(-c2nn[n-]n2)c1 ZINC001605731263 1163653632 /nfs/dbraw/zinc/65/36/32/1163653632.db2.gz UKSANRKFCIMKDL-VIFPVBQESA-N -1 1 276.344 1.391 20 0 CDADMM Cc1cc2n[nH]cc2cc1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001605755058 1163660865 /nfs/dbraw/zinc/66/08/65/1163660865.db2.gz BHVLNVQBIVRSJK-UHFFFAOYSA-N -1 1 293.294 1.585 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCC1=CCCOC1 ZINC001605803908 1163677492 /nfs/dbraw/zinc/67/74/92/1163677492.db2.gz FMVZLMQREQUOGS-UHFFFAOYSA-N -1 1 272.312 1.329 20 0 CDADMM CCc1ncc(CN(CCC(=O)[O-])C[C@H]2CCCO2)cn1 ZINC001605861498 1163694418 /nfs/dbraw/zinc/69/44/18/1163694418.db2.gz ROUQRRFODSSRGL-CYBMUJFWSA-N -1 1 293.367 1.495 20 0 CDADMM Cc1ccc(F)cc1Oc1cncc(-c2nnn[n-]2)n1 ZINC001605864264 1163695685 /nfs/dbraw/zinc/69/56/85/1163695685.db2.gz WHUYIGLGAUXFAB-UHFFFAOYSA-N -1 1 272.243 1.897 20 0 CDADMM Cc1ccc(F)cc1Oc1cncc(-c2nn[n-]n2)n1 ZINC001605864264 1163695688 /nfs/dbraw/zinc/69/56/88/1163695688.db2.gz WHUYIGLGAUXFAB-UHFFFAOYSA-N -1 1 272.243 1.897 20 0 CDADMM Cc1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)cn1 ZINC001605872349 1163699329 /nfs/dbraw/zinc/69/93/29/1163699329.db2.gz WCDKRBCMOYJKRR-UHFFFAOYSA-N -1 1 270.252 1.415 20 0 CDADMM Cc1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)cn1 ZINC001605872349 1163699333 /nfs/dbraw/zinc/69/93/33/1163699333.db2.gz WCDKRBCMOYJKRR-UHFFFAOYSA-N -1 1 270.252 1.415 20 0 CDADMM Cc1ccc([C@@H]2C[C@H]2Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001605884555 1163707126 /nfs/dbraw/zinc/70/71/26/1163707126.db2.gz MSKMZAPQJQTQPK-NWDGAFQWSA-N -1 1 293.334 1.933 20 0 CDADMM Cc1ccc([C@@H]2C[C@H]2Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001605884555 1163707134 /nfs/dbraw/zinc/70/71/34/1163707134.db2.gz MSKMZAPQJQTQPK-NWDGAFQWSA-N -1 1 293.334 1.933 20 0 CDADMM Cc1cccc([C@H](O)CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001605907355 1163711468 /nfs/dbraw/zinc/71/14/68/1163711468.db2.gz GYHAEUAXXXZNMF-GFCCVEGCSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1cccc([C@H](O)CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001605907355 1163711472 /nfs/dbraw/zinc/71/14/72/1163711472.db2.gz GYHAEUAXXXZNMF-GFCCVEGCSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1cccc(CCCNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001605913052 1163712184 /nfs/dbraw/zinc/71/21/84/1163712184.db2.gz ZKDBTIXOIXAYQV-UHFFFAOYSA-N -1 1 296.338 1.405 20 0 CDADMM Cc1cccc(CCCNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001605913052 1163712192 /nfs/dbraw/zinc/71/21/92/1163712192.db2.gz ZKDBTIXOIXAYQV-UHFFFAOYSA-N -1 1 296.338 1.405 20 0 CDADMM Cc1cnc(CNc2ccnc(-c3nnn[n-]3)c2)s1 ZINC001605979460 1163734844 /nfs/dbraw/zinc/73/48/44/1163734844.db2.gz PEJMRUXSDJIMSO-UHFFFAOYSA-N -1 1 273.325 1.061 20 0 CDADMM Cc1cnc(CNc2ccnc(-c3nn[n-]n3)c2)s1 ZINC001605979460 1163734846 /nfs/dbraw/zinc/73/48/46/1163734846.db2.gz PEJMRUXSDJIMSO-UHFFFAOYSA-N -1 1 273.325 1.061 20 0 CDADMM CN(C)C(=O)CN[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001605996911 1163739816 /nfs/dbraw/zinc/73/98/16/1163739816.db2.gz VZTUWJLBSLMGLC-NSHDSACASA-N -1 1 284.743 1.014 20 0 CDADMM CN(C)C(=O)OC1CCN(Cc2occc2C(=O)[O-])CC1 ZINC001606002451 1163739702 /nfs/dbraw/zinc/73/97/02/1163739702.db2.gz GBXRHQFCXZJTGH-UHFFFAOYSA-N -1 1 296.323 1.640 20 0 CDADMM Cc1[nH]nc(NC(=O)C2(C)CC(F)(F)C2)c1-c1nn[n-]n1 ZINC001606013211 1163743275 /nfs/dbraw/zinc/74/32/75/1163743275.db2.gz HULFNHKDSRCDLT-UHFFFAOYSA-N -1 1 297.269 1.272 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC(C)(C)C2)n1 ZINC001606019286 1163745539 /nfs/dbraw/zinc/74/55/39/1163745539.db2.gz CXHRICCDSCYVQS-UHFFFAOYSA-N -1 1 259.317 1.201 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC(C)(C)C2)n1 ZINC001606019286 1163745544 /nfs/dbraw/zinc/74/55/44/1163745544.db2.gz CXHRICCDSCYVQS-UHFFFAOYSA-N -1 1 259.317 1.201 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(CC(=O)Nc2ccccc2)c1C ZINC001606021326 1163747625 /nfs/dbraw/zinc/74/76/25/1163747625.db2.gz RUMMIDOXZYCLJT-UHFFFAOYSA-N -1 1 297.322 1.319 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(CC(=O)Nc2ccccc2)c1C ZINC001606021326 1163747630 /nfs/dbraw/zinc/74/76/30/1163747630.db2.gz RUMMIDOXZYCLJT-UHFFFAOYSA-N -1 1 297.322 1.319 20 0 CDADMM Cc1nc(NCc2ccc(CO)cc2)cc(-c2nnn[n-]2)n1 ZINC001606077096 1163765176 /nfs/dbraw/zinc/76/51/76/1163765176.db2.gz OTYQMGJPBOKCGY-UHFFFAOYSA-N -1 1 297.322 1.070 20 0 CDADMM Cc1nc(NCc2ccc(CO)cc2)cc(-c2nn[n-]n2)n1 ZINC001606077096 1163765181 /nfs/dbraw/zinc/76/51/81/1163765181.db2.gz OTYQMGJPBOKCGY-UHFFFAOYSA-N -1 1 297.322 1.070 20 0 CDADMM Cc1nn(CCCCCF)c(=O)c(-c2nn[n-]n2)c1C ZINC001606114581 1163775882 /nfs/dbraw/zinc/77/58/82/1163775882.db2.gz WOAMFGKLHSMOLA-UHFFFAOYSA-N -1 1 280.307 1.180 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1cccnc1 ZINC001606169113 1163797689 /nfs/dbraw/zinc/79/76/89/1163797689.db2.gz NPEUXGGKQFTUAX-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1cccnc1 ZINC001606169113 1163797693 /nfs/dbraw/zinc/79/76/93/1163797693.db2.gz NPEUXGGKQFTUAX-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cn1cc(Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)cn1 ZINC001606243994 1163826795 /nfs/dbraw/zinc/82/67/95/1163826795.db2.gz ZHNVNWOKCULILV-UHFFFAOYSA-N -1 1 283.299 1.011 20 0 CDADMM Cn1cc(Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)cn1 ZINC001606243994 1163826803 /nfs/dbraw/zinc/82/68/03/1163826803.db2.gz ZHNVNWOKCULILV-UHFFFAOYSA-N -1 1 283.299 1.011 20 0 CDADMM COC(=O)CC1(CN[C@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC001606445468 1163902823 /nfs/dbraw/zinc/90/28/23/1163902823.db2.gz KCAVWGXTLJAILF-MRVPVSSYSA-N -1 1 298.364 1.835 20 0 CDADMM O=C(NCC[C@H]1CC=CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606761216 1163984617 /nfs/dbraw/zinc/98/46/17/1163984617.db2.gz LOHJBIGWJFMHBI-NSHDSACASA-N -1 1 298.350 1.738 20 0 CDADMM O=C(NCC[C@H]1CC=CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606761216 1163984622 /nfs/dbraw/zinc/98/46/22/1163984622.db2.gz LOHJBIGWJFMHBI-NSHDSACASA-N -1 1 298.350 1.738 20 0 CDADMM O=C(N[C@@H]1CCCC[C@H]1F)c1ccnc(-c2nnn[n-]2)c1 ZINC001606865626 1164019372 /nfs/dbraw/zinc/01/93/72/1164019372.db2.gz BOUDLTRJDOPANF-NXEZZACHSA-N -1 1 290.302 1.272 20 0 CDADMM O=C(N[C@@H]1CCCC[C@H]1F)c1ccnc(-c2nn[n-]n2)c1 ZINC001606865626 1164019376 /nfs/dbraw/zinc/01/93/76/1164019376.db2.gz BOUDLTRJDOPANF-NXEZZACHSA-N -1 1 290.302 1.272 20 0 CDADMM O=C(O[C@H]1C=CCCC1)c1coc(-c2nnn[n-]2)c1 ZINC001606962519 1164039420 /nfs/dbraw/zinc/03/94/20/1164039420.db2.gz APFNLZNZZLKODP-VIFPVBQESA-N -1 1 260.253 1.725 20 0 CDADMM O=C(O[C@H]1C=CCCC1)c1coc(-c2nn[n-]n2)c1 ZINC001606962519 1164039427 /nfs/dbraw/zinc/03/94/27/1164039427.db2.gz APFNLZNZZLKODP-VIFPVBQESA-N -1 1 260.253 1.725 20 0 CDADMM O=C(OC[C@]12C[C@H]1CCC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001606973548 1164044902 /nfs/dbraw/zinc/04/49/02/1164044902.db2.gz JSEQLWGHGJDFAG-YGRLFVJLSA-N -1 1 285.307 1.609 20 0 CDADMM O=C(OC[C@]12C[C@H]1CCC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001606973548 1164044911 /nfs/dbraw/zinc/04/49/11/1164044911.db2.gz JSEQLWGHGJDFAG-YGRLFVJLSA-N -1 1 285.307 1.609 20 0 CDADMM CON(C)C(=O)[C@@H](C)NCc1ccc(C(=O)[O-])c(C)c1 ZINC001606990074 1164053501 /nfs/dbraw/zinc/05/35/01/1164053501.db2.gz KSNGEAZNJOIANP-SNVBAGLBSA-N -1 1 280.324 1.191 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)c(Cl)n1)N1CCCCO1 ZINC001607014085 1164060245 /nfs/dbraw/zinc/06/02/45/1164060245.db2.gz ANWJLVVISZOIDC-UHFFFAOYSA-N -1 1 294.702 1.083 20 0 CDADMM O=Cc1ccc(Oc2ncncc2-c2nnn[n-]2)cc1 ZINC001607056756 1164068711 /nfs/dbraw/zinc/06/87/11/1164068711.db2.gz OBRQGDFJGCVVSA-UHFFFAOYSA-N -1 1 268.236 1.262 20 0 CDADMM O=Cc1ccc(Oc2ncncc2-c2nn[n-]n2)cc1 ZINC001607056756 1164068715 /nfs/dbraw/zinc/06/87/15/1164068715.db2.gz OBRQGDFJGCVVSA-UHFFFAOYSA-N -1 1 268.236 1.262 20 0 CDADMM O=C1OCCN1CCSCc1ccc(-c2nnn[n-]2)o1 ZINC001607054416 1164069695 /nfs/dbraw/zinc/06/96/95/1164069695.db2.gz BYXFSOMXIPLYQI-UHFFFAOYSA-N -1 1 295.324 1.145 20 0 CDADMM O=C1OCCN1CCSCc1ccc(-c2nn[n-]n2)o1 ZINC001607054416 1164069702 /nfs/dbraw/zinc/06/97/02/1164069702.db2.gz BYXFSOMXIPLYQI-UHFFFAOYSA-N -1 1 295.324 1.145 20 0 CDADMM c1ncc(N2C[C@H]3CCCC[C@H]32)nc1-c1nnn[n-]1 ZINC001607138445 1164118283 /nfs/dbraw/zinc/11/82/83/1164118283.db2.gz FKZBFWDIVFNXNX-PSASIEDQSA-N -1 1 257.301 1.036 20 0 CDADMM c1ncc(N2C[C@H]3CCCC[C@H]32)nc1-c1nn[n-]n1 ZINC001607138445 1164118286 /nfs/dbraw/zinc/11/82/86/1164118286.db2.gz FKZBFWDIVFNXNX-PSASIEDQSA-N -1 1 257.301 1.036 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)n1 ZINC001607139024 1164120818 /nfs/dbraw/zinc/12/08/18/1164120818.db2.gz SRNPUJQFAIWKIU-QXEWZRGKSA-N -1 1 287.327 1.026 20 0 CDADMM Cc1ccc(CN[C@@](C)(CC(=O)[O-])c2ccncc2)nn1 ZINC001607783235 1164295847 /nfs/dbraw/zinc/29/58/47/1164295847.db2.gz UOYLYSPDJZVUSV-HNNXBMFYSA-N -1 1 286.335 1.660 20 0 CDADMM Cc1nc([C@@H](C)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)n[nH]1 ZINC001607935727 1164342988 /nfs/dbraw/zinc/34/29/88/1164342988.db2.gz XMEGZDKITGAGFV-LDWIPMOCSA-N -1 1 292.261 1.513 20 0 CDADMM Cc1nc(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c(C)o1 ZINC001607955443 1164352015 /nfs/dbraw/zinc/35/20/15/1164352015.db2.gz HARGEXUHXYJURK-GZMMTYOYSA-N -1 1 252.314 1.834 20 0 CDADMM Cn1c[nH+]cc1C1CC[NH+](Cc2oncc2C(=O)[O-])CC1 ZINC001608136459 1164422761 /nfs/dbraw/zinc/42/27/61/1164422761.db2.gz MPERUJMWOZGHKV-UHFFFAOYSA-N -1 1 290.323 1.486 20 0 CDADMM NCc1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])co1 ZINC001608257946 1164472257 /nfs/dbraw/zinc/47/22/57/1164472257.db2.gz REYPSGRTANATBU-KPXOXKRLSA-N -1 1 278.308 1.064 20 0 CDADMM O=C([O-])[C@@]1(CNC(=O)c2ccc(Cl)c(O)c2)CCOC1 ZINC001608429813 1164514964 /nfs/dbraw/zinc/51/49/64/1164514964.db2.gz JJUCWGLROQITMU-CYBMUJFWSA-N -1 1 299.710 1.267 20 0 CDADMM O=C([O-])[C@@H](CC(F)(F)F)NCc1ccncc1F ZINC001608530517 1164534573 /nfs/dbraw/zinc/53/45/73/1164534573.db2.gz VZAWUJIEJNBRCJ-MRVPVSSYSA-N -1 1 266.194 1.716 20 0 CDADMM O=C([O-])C1CC2(C1)C[N@@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C[C@@H]2C(=O)[O-] ZINC001608610533 1164572370 /nfs/dbraw/zinc/57/23/70/1164572370.db2.gz KRCKBGXRMXUMKG-FDCNEHNVSA-N -1 1 293.363 1.530 20 0 CDADMM O=C([O-])c1ccnc(NC(=O)c2ccc3cncn3c2)c1 ZINC001608953193 1164693535 /nfs/dbraw/zinc/69/35/35/1164693535.db2.gz WRDUYCXWRIZRFF-UHFFFAOYSA-N -1 1 282.259 1.680 20 0 CDADMM O=C([O-])c1cncnc1NCc1ccc2cncn2c1 ZINC001608984019 1164705887 /nfs/dbraw/zinc/70/58/87/1164705887.db2.gz OJEDUKKHLYMWHP-UHFFFAOYSA-N -1 1 269.264 1.435 20 0 CDADMM O=C([O-])c1ncn(CN2CCC[C@H]2CC2CCCC2)n1 ZINC001609002051 1164719037 /nfs/dbraw/zinc/71/90/37/1164719037.db2.gz ALDPCMFDCQJDLK-LBPRGKRZSA-N -1 1 278.356 1.979 20 0 CDADMM O=C([O-])[C@@H](OC(=O)c1[nH]nc2c1CCC2)c1ccsc1 ZINC001609012845 1164723118 /nfs/dbraw/zinc/72/31/18/1164723118.db2.gz ODMZQVZWAPYILX-NSHDSACASA-N -1 1 292.316 1.943 20 0 CDADMM CC(C)[C@@]1(C)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001609089957 1164764147 /nfs/dbraw/zinc/76/41/47/1164764147.db2.gz JMIAUDQERUCPEI-QPUJVOFHSA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)[C@@]1(C)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001609089957 1164764151 /nfs/dbraw/zinc/76/41/51/1164764151.db2.gz JMIAUDQERUCPEI-QPUJVOFHSA-N -1 1 259.317 1.503 20 0 CDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccsc1 ZINC001609126263 1164781918 /nfs/dbraw/zinc/78/19/18/1164781918.db2.gz MLWIQTGKAPMCQH-SSDOTTSWSA-N -1 1 273.325 1.891 20 0 CDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccsc1 ZINC001609126263 1164781922 /nfs/dbraw/zinc/78/19/22/1164781922.db2.gz MLWIQTGKAPMCQH-SSDOTTSWSA-N -1 1 273.325 1.891 20 0 CDADMM CC1([N-]S(=O)(=O)c2ccc(F)nc2F)CCCC1 ZINC000866605777 1164797844 /nfs/dbraw/zinc/79/78/44/1164797844.db2.gz QYVMPUGKOLBORZ-UHFFFAOYSA-N -1 1 276.308 1.971 20 0 CDADMM C[C@@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001609161961 1164808498 /nfs/dbraw/zinc/80/84/98/1164808498.db2.gz YKZQRUZAMKJHBU-OPRDCNLKSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001609161961 1164808505 /nfs/dbraw/zinc/80/85/05/1164808505.db2.gz YKZQRUZAMKJHBU-OPRDCNLKSA-N -1 1 273.344 1.893 20 0 CDADMM CC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)[C@@H](O)C(C)C ZINC001609195045 1164835471 /nfs/dbraw/zinc/83/54/71/1164835471.db2.gz WBZPXIPITMOZBF-SKDRFNHKSA-N -1 1 276.344 1.469 20 0 CDADMM CC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)[C@@H](O)C(C)C ZINC001609195045 1164835475 /nfs/dbraw/zinc/83/54/75/1164835475.db2.gz WBZPXIPITMOZBF-SKDRFNHKSA-N -1 1 276.344 1.469 20 0 CDADMM CCC[C@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)OC ZINC001609205541 1164845371 /nfs/dbraw/zinc/84/53/71/1164845371.db2.gz OQKWSQFLBGSCRD-SECBINFHSA-N -1 1 277.332 1.192 20 0 CDADMM CCC[C@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)OC ZINC001609205541 1164845375 /nfs/dbraw/zinc/84/53/75/1164845375.db2.gz OQKWSQFLBGSCRD-SECBINFHSA-N -1 1 277.332 1.192 20 0 CDADMM CO[C@@H](C)CCNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001609308414 1164884915 /nfs/dbraw/zinc/88/49/15/1164884915.db2.gz LMAGJXZSAKTGMT-VIFPVBQESA-N -1 1 262.317 1.407 20 0 CDADMM CO[C@@H](C)CCNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001609308414 1164884925 /nfs/dbraw/zinc/88/49/25/1164884925.db2.gz LMAGJXZSAKTGMT-VIFPVBQESA-N -1 1 262.317 1.407 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(Oc2ccc(F)nc2)n1 ZINC001609392699 1164927066 /nfs/dbraw/zinc/92/70/66/1164927066.db2.gz AJRGVUPOUTZUMY-UHFFFAOYSA-N -1 1 273.231 1.292 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(Oc2ccc(F)nc2)n1 ZINC001609392699 1164927072 /nfs/dbraw/zinc/92/70/72/1164927072.db2.gz AJRGVUPOUTZUMY-UHFFFAOYSA-N -1 1 273.231 1.292 20 0 CDADMM Cc1ocnc1CNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001609427034 1164942569 /nfs/dbraw/zinc/94/25/69/1164942569.db2.gz HJQDCJILMOBWGK-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1ocnc1CNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001609427034 1164942571 /nfs/dbraw/zinc/94/25/71/1164942571.db2.gz HJQDCJILMOBWGK-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1ccc(N2CCS[C@H](C)CC2)nc1-c1nnn[n-]1 ZINC001609425477 1164943357 /nfs/dbraw/zinc/94/33/57/1164943357.db2.gz REGACFDZTUIBAQ-SNVBAGLBSA-N -1 1 290.396 1.902 20 0 CDADMM Cc1ccc(N2CCS[C@H](C)CC2)nc1-c1nn[n-]n1 ZINC001609425477 1164943363 /nfs/dbraw/zinc/94/33/63/1164943363.db2.gz REGACFDZTUIBAQ-SNVBAGLBSA-N -1 1 290.396 1.902 20 0 CDADMM Cc1nnc(Oc2cccc(F)c2-c2nnn[n-]2)nc1C ZINC001609461481 1164959844 /nfs/dbraw/zinc/95/98/44/1164959844.db2.gz CZJQGKODABGPQR-UHFFFAOYSA-N -1 1 287.258 1.600 20 0 CDADMM Cc1nnc(Oc2cccc(F)c2-c2nn[n-]n2)nc1C ZINC001609461481 1164959850 /nfs/dbraw/zinc/95/98/50/1164959850.db2.gz CZJQGKODABGPQR-UHFFFAOYSA-N -1 1 287.258 1.600 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@]1(C)CCO[C@H]1C ZINC001609467868 1164964770 /nfs/dbraw/zinc/96/47/70/1164964770.db2.gz WITNPBXJRPTUME-ISVAXAHUSA-N -1 1 291.311 1.065 20 0 CDADMM Fc1cccnc1CNCc1nc(-c2nnn[n-]2)cs1 ZINC001609492409 1164975320 /nfs/dbraw/zinc/97/53/20/1164975320.db2.gz CEVXJIUVGVQXMU-UHFFFAOYSA-N -1 1 291.315 1.147 20 0 CDADMM Fc1cccnc1CNCc1nc(-c2nn[n-]n2)cs1 ZINC001609492409 1164975329 /nfs/dbraw/zinc/97/53/29/1164975329.db2.gz CEVXJIUVGVQXMU-UHFFFAOYSA-N -1 1 291.315 1.147 20 0 CDADMM O=C(CC[C@@H]1CCCO1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609521963 1164980409 /nfs/dbraw/zinc/98/04/09/1164980409.db2.gz ZRMZDIXHODZLMO-VIFPVBQESA-N -1 1 288.311 1.159 20 0 CDADMM O=C(CC[C@@H]1CCCO1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609521963 1164980418 /nfs/dbraw/zinc/98/04/18/1164980418.db2.gz ZRMZDIXHODZLMO-VIFPVBQESA-N -1 1 288.311 1.159 20 0 CDADMM O[C@@H]1Cc2ccccc2N(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001609608822 1165005518 /nfs/dbraw/zinc/00/55/18/1165005518.db2.gz XDVRJCQYVDZOKV-LLVKDONJSA-N -1 1 297.318 1.383 20 0 CDADMM O[C@@H]1Cc2ccccc2N(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001609608822 1165005521 /nfs/dbraw/zinc/00/55/21/1165005521.db2.gz XDVRJCQYVDZOKV-LLVKDONJSA-N -1 1 297.318 1.383 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N2CCC3(CCOC3)CC2)c1 ZINC001609619384 1165014677 /nfs/dbraw/zinc/01/46/77/1165014677.db2.gz OQIRQCDCTAMATC-UHFFFAOYSA-N -1 1 286.339 1.269 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N2CCC3(CCOC3)CC2)c1 ZINC001609619384 1165014679 /nfs/dbraw/zinc/01/46/79/1165014679.db2.gz OQIRQCDCTAMATC-UHFFFAOYSA-N -1 1 286.339 1.269 20 0 CDADMM c1coc([C@@H]2CN(c3cccnc3-c3nnn[n-]3)CCO2)c1 ZINC001609619763 1165015487 /nfs/dbraw/zinc/01/54/87/1165015487.db2.gz BBOFLAZXBPDJCX-LBPRGKRZSA-N -1 1 298.306 1.433 20 0 CDADMM c1coc([C@@H]2CN(c3cccnc3-c3nn[n-]n3)CCO2)c1 ZINC001609619763 1165015491 /nfs/dbraw/zinc/01/54/91/1165015491.db2.gz BBOFLAZXBPDJCX-LBPRGKRZSA-N -1 1 298.306 1.433 20 0 CDADMM c1cc2c(s1)CCCN(c1cc(-c3nnn[n-]3)ncn1)C2 ZINC001609620002 1165015559 /nfs/dbraw/zinc/01/55/59/1165015559.db2.gz KHDGSZKPHPNAST-UHFFFAOYSA-N -1 1 299.363 1.671 20 0 CDADMM c1cc2c(s1)CCCN(c1cc(-c3nn[n-]n3)ncn1)C2 ZINC001609620002 1165015562 /nfs/dbraw/zinc/01/55/62/1165015562.db2.gz KHDGSZKPHPNAST-UHFFFAOYSA-N -1 1 299.363 1.671 20 0 CDADMM C[C@H](c1ccc(C(=O)[O-])o1)N1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC001609808609 1165089549 /nfs/dbraw/zinc/08/95/49/1165089549.db2.gz IGWJPACJRHHHBI-QYTUQVAYSA-N -1 1 292.335 1.625 20 0 CDADMM CS(=O)(=O)[N-]c1ccccc1-c1nc(CO)cs1 ZINC001252742204 1165132468 /nfs/dbraw/zinc/13/24/68/1165132468.db2.gz OZLRNPOTCUOXOZ-UHFFFAOYSA-N -1 1 284.362 1.674 20 0 CDADMM Cc1csc(NC(=O)N2CCNC(C)(C)C2)c1C(=O)[O-] ZINC001610548191 1165351272 /nfs/dbraw/zinc/35/12/72/1165351272.db2.gz RDGVUVAIHSMFBA-UHFFFAOYSA-N -1 1 297.380 1.970 20 0 CDADMM O=C([O-])[C@H](Cc1ccc(F)cc1)NCC(=O)N1CCCC1 ZINC001610714779 1165412985 /nfs/dbraw/zinc/41/29/85/1165412985.db2.gz LNYLYNXSJRKJEG-ZDUSSCGKSA-N -1 1 294.326 1.033 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(Cc3nnc(-c4ccccc4)o3)C[C@@H]21 ZINC001610803982 1165447895 /nfs/dbraw/zinc/44/78/95/1165447895.db2.gz VOHUXSOXRIABMK-PJXYFTJBSA-N -1 1 285.303 1.499 20 0 CDADMM O=C(OCc1nn[n-]n1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC001649229819 1166182020 /nfs/dbraw/zinc/18/20/20/1166182020.db2.gz SZOSXBYWUFUFCQ-YUMQZZPRSA-N -1 1 280.234 1.325 20 0 CDADMM Cc1noc([C@H](C)NC(=O)c2ccc([O-])cc2F)n1 ZINC001631475950 1166279014 /nfs/dbraw/zinc/27/90/14/1166279014.db2.gz JIDWJVCWFTWYKM-LURJTMIESA-N -1 1 265.244 1.714 20 0 CDADMM Cn1nccc1CCNC(=O)c1cccc([O-])c1F ZINC001633621160 1166438122 /nfs/dbraw/zinc/43/81/22/1166438122.db2.gz MVNAPKNUEOQDFD-UHFFFAOYSA-N -1 1 263.272 1.237 20 0 CDADMM COc1ccc(Nc2nc(C)cc(-c3nnn[n-]3)n2)cc1 ZINC000095331700 1166623023 /nfs/dbraw/zinc/62/30/23/1166623023.db2.gz KPVRXMVNXDRTOM-UHFFFAOYSA-N -1 1 283.295 1.717 20 0 CDADMM COc1ccc(Nc2nc(C)cc(-c3nn[n-]n3)n2)cc1 ZINC000095331700 1166623026 /nfs/dbraw/zinc/62/30/26/1166623026.db2.gz KPVRXMVNXDRTOM-UHFFFAOYSA-N -1 1 283.295 1.717 20 0 CDADMM Cc1nnc(SCc2nn[n-]n2)n1C1CCCCC1 ZINC001412918693 1166901305 /nfs/dbraw/zinc/90/13/05/1166901305.db2.gz QALYUEUCLNKHFJ-UHFFFAOYSA-N -1 1 279.373 1.897 20 0 CDADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCC[C@H]([C@H](C)O)C2)c1 ZINC001151423206 1167075233 /nfs/dbraw/zinc/07/52/33/1167075233.db2.gz FBMBDWAIJRCNFX-RYUDHWBXSA-N -1 1 291.347 1.746 20 0 CDADMM CC(C)(C)C[C@@H](CO)NC(=O)c1ccc([O-])cn1 ZINC001151702049 1167088111 /nfs/dbraw/zinc/08/81/11/1167088111.db2.gz ONMIOIDLKLBMEJ-VIFPVBQESA-N -1 1 252.314 1.314 20 0 CDADMM CCOC(=O)c1nonc1[N-]c1cn(C)c2cnccc12 ZINC001249691042 1167414561 /nfs/dbraw/zinc/41/45/61/1167414561.db2.gz KJRSFBLYIABVGD-UHFFFAOYSA-N -1 1 287.279 1.877 20 0 CDADMM COc1ccc(CNC[C@H](F)C(=O)[O-])cc1OC(F)F ZINC001646232720 1167712193 /nfs/dbraw/zinc/71/21/93/1167712193.db2.gz LSEIYKIJRHLPEN-QMMMGPOBSA-N -1 1 293.241 1.809 20 0 CDADMM Cc1ccc(NS(=O)(=O)c2cncc(C(=O)[O-])c2)cc1 ZINC001607810708 1167915139 /nfs/dbraw/zinc/91/51/39/1167915139.db2.gz HFWWWEDVTBBLQA-UHFFFAOYSA-N -1 1 292.316 1.889 20 0 CDADMM O=c1[nH][n-]cc1-c1nnc(N2CCCC2)n1CC1CC1 ZINC001646931047 1168261996 /nfs/dbraw/zinc/26/19/96/1168261996.db2.gz ZXLUPSIMJXYELN-UHFFFAOYSA-N -1 1 274.328 1.384 20 0 CDADMM CN(C(=O)CCCc1c(F)cccc1F)c1nn[n-]n1 ZINC001647402998 1168650151 /nfs/dbraw/zinc/65/01/51/1168650151.db2.gz WOTNWVNJDGFZJD-UHFFFAOYSA-N -1 1 281.266 1.464 20 0 CDADMM Cc1ccn2ncc(C(=O)N(C)C[C@@H](C)c3nn[n-]n3)c2c1 ZINC001567310447 1168673295 /nfs/dbraw/zinc/67/32/95/1168673295.db2.gz XLNGBUPOXYDVSU-SNVBAGLBSA-N -1 1 299.338 1.032 20 0 CDADMM CSc1nc(C)c(CCC(=O)NC2(C)CC2)c(=O)[n-]1 ZINC001649704014 1169294274 /nfs/dbraw/zinc/29/42/74/1169294274.db2.gz RLAXOWZHUNMHQV-UHFFFAOYSA-N -1 1 281.381 1.814 20 0 CDADMM C[C@@H](O)C(=O)Nc1cccc([O-])c1Br ZINC001569379068 1169830260 /nfs/dbraw/zinc/83/02/60/1169830260.db2.gz MPLMNQJIDMJSFV-RXMQYKEDSA-N -1 1 260.087 1.474 20 0 CDADMM Cc1[nH]c(CN2C[C@H](O)CC[C@H]2C)cc1C(=O)[O-] ZINC001574110639 1170882609 /nfs/dbraw/zinc/88/26/09/1170882609.db2.gz JNWHMSVRAKAAHX-LDYMZIIASA-N -1 1 252.314 1.367 20 0 CDADMM Cc1cc(=O)[n-]c(C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)n1 ZINC001574143443 1170896735 /nfs/dbraw/zinc/89/67/35/1170896735.db2.gz FHHBDMFJLSCNLM-GHMZBOCLSA-N -1 1 294.355 1.359 20 0 CDADMM C[C@H](O)[C@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ccccc1 ZINC001575475159 1171180065 /nfs/dbraw/zinc/18/00/65/1171180065.db2.gz UDQJIATZOPQHDD-ZANVPECISA-N -1 1 297.322 1.191 20 0 CDADMM C[C@H](O)[C@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ccccc1 ZINC001575475159 1171180071 /nfs/dbraw/zinc/18/00/71/1171180071.db2.gz UDQJIATZOPQHDD-ZANVPECISA-N -1 1 297.322 1.191 20 0 CDADMM C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)Nc2c[n-][nH]c2=O)C1 ZINC001654603177 1171623572 /nfs/dbraw/zinc/62/35/72/1171623572.db2.gz CJSNTRMHEWLGDC-HTRCEHHLSA-N -1 1 261.285 1.143 20 0 CDADMM CN(C(=O)c1ccc(-c2ccccc2)[nH]1)c1nn[n-]n1 ZINC001585910901 1172922120 /nfs/dbraw/zinc/92/21/20/1172922120.db2.gz OXKCZTTZWVGEEU-UHFFFAOYSA-N -1 1 268.280 1.471 20 0 CDADMM CC(=O)NCCCSc1cccc(F)c1-c1nn[n-]n1 ZINC001588860924 1173110693 /nfs/dbraw/zinc/11/06/93/1173110693.db2.gz CRBRXNCGXGWHMT-UHFFFAOYSA-N -1 1 295.343 1.624 20 0 CDADMM C/C(=C/C(=O)[O-])CN1CCN(c2ccccc2O)CC1 ZINC001588949379 1173117190 /nfs/dbraw/zinc/11/71/90/1173117190.db2.gz QIWODUYWRFTYEG-BENRWUELSA-N -1 1 276.336 1.545 20 0 CDADMM CC(C)(C(=O)OCc1ccc(-c2nnn[n-]2)o1)C(F)F ZINC001589062274 1173122121 /nfs/dbraw/zinc/12/21/21/1173122121.db2.gz YYYZBJGZHXXJLS-UHFFFAOYSA-N -1 1 286.238 1.794 20 0 CDADMM CC(C)(C(=O)OCc1ccc(-c2nn[n-]n2)o1)C(F)F ZINC001589062274 1173122128 /nfs/dbraw/zinc/12/21/28/1173122128.db2.gz YYYZBJGZHXXJLS-UHFFFAOYSA-N -1 1 286.238 1.794 20 0 CDADMM CC(C)(C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001589085182 1173122460 /nfs/dbraw/zinc/12/24/60/1173122460.db2.gz XNIDJHGMKCTRRH-UHFFFAOYSA-N -1 1 265.342 1.591 20 0 CDADMM CC(C)(C)OC(=O)CSc1ccnc(-c2nnn[n-]2)c1 ZINC001589154979 1173125864 /nfs/dbraw/zinc/12/58/64/1173125864.db2.gz OFHFVWNPEHUWCH-UHFFFAOYSA-N -1 1 293.352 1.696 20 0 CDADMM CC(C)(C)OC(=O)CSc1ccnc(-c2nn[n-]n2)c1 ZINC001589154979 1173125874 /nfs/dbraw/zinc/12/58/74/1173125874.db2.gz OFHFVWNPEHUWCH-UHFFFAOYSA-N -1 1 293.352 1.696 20 0 CDADMM CC(C)(C)c1ccc(Cn2cc(-c3nn[n-]n3)nn2)cc1 ZINC001589227533 1173129794 /nfs/dbraw/zinc/12/97/94/1173129794.db2.gz YUUAFXHPWOOLKJ-UHFFFAOYSA-N -1 1 283.339 1.804 20 0 CDADMM CC(C)(/C=C\Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001589264211 1173132428 /nfs/dbraw/zinc/13/24/28/1173132428.db2.gz NFJVCTITRBLXCK-PLNGDYQASA-N -1 1 265.708 1.022 20 0 CDADMM CC(C)(CCOc1cnc(-c2nn[n-]n2)nc1)C1CC1 ZINC001589276140 1173134760 /nfs/dbraw/zinc/13/47/60/1173134760.db2.gz SFHVEOMLUCXATC-UHFFFAOYSA-N -1 1 274.328 1.862 20 0 CDADMM CC(C)Cn1cc(Nc2ncncc2-c2nn[n-]n2)cn1 ZINC001589670466 1173168522 /nfs/dbraw/zinc/16/85/22/1173168522.db2.gz UQRCHVCNKYLZDF-UHFFFAOYSA-N -1 1 285.315 1.253 20 0 CDADMM C[C@H](Cc1ccccn1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589902146 1173198633 /nfs/dbraw/zinc/19/86/33/1173198633.db2.gz ZAXFWLHTPAJAIL-SNVBAGLBSA-N -1 1 281.323 1.122 20 0 CDADMM C[C@H](Cc1ccccn1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589902146 1173198636 /nfs/dbraw/zinc/19/86/36/1173198636.db2.gz ZAXFWLHTPAJAIL-SNVBAGLBSA-N -1 1 281.323 1.122 20 0 CDADMM C[C@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)C1(C)CC1 ZINC001589938460 1173206039 /nfs/dbraw/zinc/20/60/39/1173206039.db2.gz INSQYPDVFYSWHL-QMMMGPOBSA-N -1 1 287.327 1.572 20 0 CDADMM C[C@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)C1(C)CC1 ZINC001589938460 1173206045 /nfs/dbraw/zinc/20/60/45/1173206045.db2.gz INSQYPDVFYSWHL-QMMMGPOBSA-N -1 1 287.327 1.572 20 0 CDADMM CC(C)n1cc([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001589991768 1173223567 /nfs/dbraw/zinc/22/35/67/1173223567.db2.gz RGGLUIHBNRPIBY-VIFPVBQESA-N -1 1 299.342 1.607 20 0 CDADMM CC(C)n1cc([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001589991768 1173223572 /nfs/dbraw/zinc/22/35/72/1173223572.db2.gz RGGLUIHBNRPIBY-VIFPVBQESA-N -1 1 299.342 1.607 20 0 CDADMM CC(C)n1cc([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001589988487 1173224894 /nfs/dbraw/zinc/22/48/94/1173224894.db2.gz ZVQWLMBALYPBMJ-VIFPVBQESA-N -1 1 299.342 1.607 20 0 CDADMM CC(C)n1cc([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001589988487 1173224900 /nfs/dbraw/zinc/22/49/00/1173224900.db2.gz ZVQWLMBALYPBMJ-VIFPVBQESA-N -1 1 299.342 1.607 20 0 CDADMM CC1(C)C[C@@H](CNc2ncncc2-c2nn[n-]n2)CCO1 ZINC001590080341 1173248387 /nfs/dbraw/zinc/24/83/87/1173248387.db2.gz MCXLZJHRHWSHAB-VIFPVBQESA-N -1 1 289.343 1.274 20 0 CDADMM CC1(C)CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001590095798 1173256496 /nfs/dbraw/zinc/25/64/96/1173256496.db2.gz AEQDJQXKQUNVEQ-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM CC1(C)CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001590095798 1173256499 /nfs/dbraw/zinc/25/64/99/1173256499.db2.gz AEQDJQXKQUNVEQ-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM CC1(C)CCN1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590100440 1173257041 /nfs/dbraw/zinc/25/70/41/1173257041.db2.gz SVXWQNYPAORWIS-UHFFFAOYSA-N -1 1 293.356 1.017 20 0 CDADMM CC1(C)CCN1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590100440 1173257048 /nfs/dbraw/zinc/25/70/48/1173257048.db2.gz SVXWQNYPAORWIS-UHFFFAOYSA-N -1 1 293.356 1.017 20 0 CDADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)[C@H]1c1ccco1 ZINC001590108835 1173259914 /nfs/dbraw/zinc/25/99/14/1173259914.db2.gz KDIZTWFEAUWOEA-LBPRGKRZSA-N -1 1 297.322 1.837 20 0 CDADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)[C@H]1c1ccco1 ZINC001590108835 1173259919 /nfs/dbraw/zinc/25/99/19/1173259919.db2.gz KDIZTWFEAUWOEA-LBPRGKRZSA-N -1 1 297.322 1.837 20 0 CDADMM CC1=C[C@H](C)CN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590158191 1173275357 /nfs/dbraw/zinc/27/53/57/1173275357.db2.gz WQBIDUISHYKORC-QMMMGPOBSA-N -1 1 257.301 1.059 20 0 CDADMM C[C@H]1C[C@H](COC(=O)c2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001590193959 1173288032 /nfs/dbraw/zinc/28/80/32/1173288032.db2.gz UESWGLVFMINJNY-DTWKUNHWSA-N -1 1 292.295 1.432 20 0 CDADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590220087 1173299903 /nfs/dbraw/zinc/29/99/03/1173299903.db2.gz RFGLMFOTTZINFO-IFFSRLJSSA-N -1 1 287.323 1.482 20 0 CDADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590220087 1173299908 /nfs/dbraw/zinc/29/99/08/1173299908.db2.gz RFGLMFOTTZINFO-IFFSRLJSSA-N -1 1 287.323 1.482 20 0 CDADMM C[C@@H]1CC[C@@H](Nc2ncncc2-c2nn[n-]n2)C[C@H]1C ZINC001590241338 1173313552 /nfs/dbraw/zinc/31/35/52/1173313552.db2.gz WATCYWSBPQBCPK-OPRDCNLKSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590253030 1173320771 /nfs/dbraw/zinc/32/07/71/1173320771.db2.gz DLVNJOPQMHEBPI-IUCAKERBSA-N -1 1 275.312 1.768 20 0 CDADMM C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590253030 1173320775 /nfs/dbraw/zinc/32/07/75/1173320775.db2.gz DLVNJOPQMHEBPI-IUCAKERBSA-N -1 1 275.312 1.768 20 0 CDADMM C[C@H]1CN(C(=O)c2csc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001590300454 1173342239 /nfs/dbraw/zinc/34/22/39/1173342239.db2.gz AOBALNODCWOBGL-YUMQZZPRSA-N -1 1 277.353 1.656 20 0 CDADMM C[C@@H]1CN(c2ccnc(-c3nnn[n-]3)c2)[C@@H](C)[C@H](C)O1 ZINC001590314484 1173351168 /nfs/dbraw/zinc/35/11/68/1173351168.db2.gz ILRGHYVVDXXXNT-UTLUCORTSA-N -1 1 274.328 1.264 20 0 CDADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)c2)[C@@H](C)[C@H](C)O1 ZINC001590314484 1173351175 /nfs/dbraw/zinc/35/11/75/1173351175.db2.gz ILRGHYVVDXXXNT-UTLUCORTSA-N -1 1 274.328 1.264 20 0 CDADMM C/C=C/C[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590356000 1173375039 /nfs/dbraw/zinc/37/50/39/1173375039.db2.gz XEZFWXWXQKSKDP-KXMPLOMGSA-N -1 1 285.355 1.839 20 0 CDADMM C/C=C/C[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590356000 1173375043 /nfs/dbraw/zinc/37/50/43/1173375043.db2.gz XEZFWXWXQKSKDP-KXMPLOMGSA-N -1 1 285.355 1.839 20 0 CDADMM CC[C@H](COC)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590447426 1173411192 /nfs/dbraw/zinc/41/11/92/1173411192.db2.gz CGYXWPHBBIYXFF-MRVPVSSYSA-N -1 1 281.341 1.083 20 0 CDADMM CC[C@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001590449533 1173414809 /nfs/dbraw/zinc/41/48/09/1173414809.db2.gz VQDLJXJOTSOKDM-SCSAIBSYSA-N -1 1 274.737 1.159 20 0 CDADMM CC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ncc[nH]1 ZINC001590472939 1173423992 /nfs/dbraw/zinc/42/39/92/1173423992.db2.gz IXXUEMCHQYIOHQ-MRVPVSSYSA-N -1 1 270.300 1.548 20 0 CDADMM CC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ncc[nH]1 ZINC001590472939 1173423995 /nfs/dbraw/zinc/42/39/95/1173423995.db2.gz IXXUEMCHQYIOHQ-MRVPVSSYSA-N -1 1 270.300 1.548 20 0 CDADMM CC[C@@H](c1ccncc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001590483488 1173430697 /nfs/dbraw/zinc/43/06/97/1173430697.db2.gz NQVKCAIRKLDJQR-LBPRGKRZSA-N -1 1 296.338 1.639 20 0 CDADMM CC[C@@H](c1ccncc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001590483488 1173430703 /nfs/dbraw/zinc/43/07/03/1173430703.db2.gz NQVKCAIRKLDJQR-LBPRGKRZSA-N -1 1 296.338 1.639 20 0 CDADMM CCC1(C(=O)OCc2ccc(-c3nnn[n-]3)o2)CC1 ZINC001590489095 1173431817 /nfs/dbraw/zinc/43/18/17/1173431817.db2.gz GXTYERIQDPCLSI-UHFFFAOYSA-N -1 1 262.269 1.693 20 0 CDADMM CCC1(C(=O)OCc2ccc(-c3nn[n-]n3)o2)CC1 ZINC001590489095 1173431820 /nfs/dbraw/zinc/43/18/20/1173431820.db2.gz GXTYERIQDPCLSI-UHFFFAOYSA-N -1 1 262.269 1.693 20 0 CDADMM CC[C@@]1(C)OC(=O)N(Cc2ccc(-c3nnn[n-]3)o2)C1=O ZINC001590492719 1173434873 /nfs/dbraw/zinc/43/48/73/1173434873.db2.gz UJAITDFIYVFGJC-GFCCVEGCSA-N -1 1 291.267 1.107 20 0 CDADMM CC[C@@]1(C)OC(=O)N(Cc2ccc(-c3nn[n-]n3)o2)C1=O ZINC001590492719 1173434876 /nfs/dbraw/zinc/43/48/76/1173434876.db2.gz UJAITDFIYVFGJC-GFCCVEGCSA-N -1 1 291.267 1.107 20 0 CDADMM CC[C@@H]1CCCCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590511149 1173442210 /nfs/dbraw/zinc/44/22/10/1173442210.db2.gz HJEZTRYLQXKSBF-SNVBAGLBSA-N -1 1 286.339 1.666 20 0 CDADMM CC[C@@H]1CCCCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590511149 1173442214 /nfs/dbraw/zinc/44/22/14/1173442214.db2.gz HJEZTRYLQXKSBF-SNVBAGLBSA-N -1 1 286.339 1.666 20 0 CDADMM CCCNS(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1 ZINC001590637879 1173481311 /nfs/dbraw/zinc/48/13/11/1173481311.db2.gz HSRZMFWQTHLAHS-UHFFFAOYSA-N -1 1 299.331 1.003 20 0 CDADMM CCC[C@@H]1C[C@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590653809 1173483556 /nfs/dbraw/zinc/48/35/56/1173483556.db2.gz MZCWYSIUCMPYLY-ZYHUDNBSSA-N -1 1 286.339 1.109 20 0 CDADMM CCC[C@@H]1C[C@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590653809 1173483557 /nfs/dbraw/zinc/48/35/57/1173483557.db2.gz MZCWYSIUCMPYLY-ZYHUDNBSSA-N -1 1 286.339 1.109 20 0 CDADMM CCN(C#N)CCSc1cccnc1-c1nnn[n-]1 ZINC001590666406 1173487178 /nfs/dbraw/zinc/48/71/78/1173487178.db2.gz OTIHWCUASKPCGB-UHFFFAOYSA-N -1 1 275.341 1.157 20 0 CDADMM CCN(C#N)CCSc1cccnc1-c1nn[n-]n1 ZINC001590666406 1173487181 /nfs/dbraw/zinc/48/71/81/1173487181.db2.gz OTIHWCUASKPCGB-UHFFFAOYSA-N -1 1 275.341 1.157 20 0 CDADMM CCN(CC)C(=O)CSCc1ccc(-c2nnn[n-]2)o1 ZINC001590684335 1173488991 /nfs/dbraw/zinc/48/89/91/1173488991.db2.gz VWJLTQABSHBMIM-UHFFFAOYSA-N -1 1 295.368 1.561 20 0 CDADMM CCN(CC)C(=O)CSCc1ccc(-c2nn[n-]n2)o1 ZINC001590684335 1173488997 /nfs/dbraw/zinc/48/89/97/1173488997.db2.gz VWJLTQABSHBMIM-UHFFFAOYSA-N -1 1 295.368 1.561 20 0 CDADMM CCSCCCNc1ncncc1-c1nn[n-]n1 ZINC001590853626 1173528363 /nfs/dbraw/zinc/52/83/63/1173528363.db2.gz UALUINJGUAAHCT-UHFFFAOYSA-N -1 1 265.346 1.212 20 0 CDADMM CCc1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)no1 ZINC001590883456 1173537114 /nfs/dbraw/zinc/53/71/14/1173537114.db2.gz CCMWFEAXUCRELP-UHFFFAOYSA-N -1 1 274.240 1.262 20 0 CDADMM CCn1ccnc1[C@@H](C)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001590961573 1173549814 /nfs/dbraw/zinc/54/98/14/1173549814.db2.gz ZXYPZFQRGKVNOL-MRVPVSSYSA-N -1 1 285.315 1.046 20 0 CDADMM CCn1ccnc1[C@@H](C)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001590961573 1173549818 /nfs/dbraw/zinc/54/98/18/1173549818.db2.gz ZXYPZFQRGKVNOL-MRVPVSSYSA-N -1 1 285.315 1.046 20 0 CDADMM CN(C(=O)CCC1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590981068 1173554807 /nfs/dbraw/zinc/55/48/07/1173554807.db2.gz BOHAQPITQRWIRK-UHFFFAOYSA-N -1 1 272.312 1.415 20 0 CDADMM CN(C(=O)CCC1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590981068 1173554812 /nfs/dbraw/zinc/55/48/12/1173554812.db2.gz BOHAQPITQRWIRK-UHFFFAOYSA-N -1 1 272.312 1.415 20 0 CDADMM CN(CCCF)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591066589 1173571228 /nfs/dbraw/zinc/57/12/28/1173571228.db2.gz KPPLAJOYMZZCQL-UHFFFAOYSA-N -1 1 269.305 1.360 20 0 CDADMM CN(CCCF)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591066589 1173571238 /nfs/dbraw/zinc/57/12/38/1173571238.db2.gz KPPLAJOYMZZCQL-UHFFFAOYSA-N -1 1 269.305 1.360 20 0 CDADMM COC(=O)c1ccc(Oc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001591298180 1173599438 /nfs/dbraw/zinc/59/94/38/1173599438.db2.gz FOIIHAMOPMHJCR-UHFFFAOYSA-N -1 1 298.262 1.236 20 0 CDADMM COC(C)(C)CN(C)c1cccnc1-c1nnn[n-]1 ZINC001591316721 1173601698 /nfs/dbraw/zinc/60/16/98/1173601698.db2.gz OQHNFJLOEDITIM-UHFFFAOYSA-N -1 1 262.317 1.123 20 0 CDADMM COC(C)(C)CN(C)c1cccnc1-c1nn[n-]n1 ZINC001591316721 1173601701 /nfs/dbraw/zinc/60/17/01/1173601701.db2.gz OQHNFJLOEDITIM-UHFFFAOYSA-N -1 1 262.317 1.123 20 0 CDADMM CO[C@H]1CCC[C@@H](OC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001591354021 1173624768 /nfs/dbraw/zinc/62/47/68/1173624768.db2.gz HSXOFWUYBSITTA-VHSXEESVSA-N -1 1 292.295 1.574 20 0 CDADMM CO[C@H]1CCC[C@@H](OC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001591354021 1173624771 /nfs/dbraw/zinc/62/47/71/1173624771.db2.gz HSXOFWUYBSITTA-VHSXEESVSA-N -1 1 292.295 1.574 20 0 CDADMM COCC1(CNC(=O)c2ccc(-c3nnn[n-]3)o2)CCC1 ZINC001591388802 1173641087 /nfs/dbraw/zinc/64/10/87/1173641087.db2.gz HEZJFOQRXRGGKM-UHFFFAOYSA-N -1 1 291.311 1.006 20 0 CDADMM COCC1(CNC(=O)c2ccc(-c3nn[n-]n3)o2)CCC1 ZINC001591388802 1173641092 /nfs/dbraw/zinc/64/10/92/1173641092.db2.gz HEZJFOQRXRGGKM-UHFFFAOYSA-N -1 1 291.311 1.006 20 0 CDADMM COCC1(COC(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001591390017 1173641304 /nfs/dbraw/zinc/64/13/04/1173641304.db2.gz XSYDNJZUUUWQLC-UHFFFAOYSA-N -1 1 278.268 1.043 20 0 CDADMM COCC1(COC(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001591390017 1173641308 /nfs/dbraw/zinc/64/13/08/1173641308.db2.gz XSYDNJZUUUWQLC-UHFFFAOYSA-N -1 1 278.268 1.043 20 0 CDADMM COc1cc(COc2cnc(-c3nn[n-]n3)nc2)ccc1C ZINC001591539577 1173666878 /nfs/dbraw/zinc/66/68/78/1173666878.db2.gz RDXFTINKJIIOCJ-UHFFFAOYSA-N -1 1 298.306 1.553 20 0 CDADMM COc1cncc(C=CCCn2ccnc2-c2nnn[n-]2)c1 ZINC001591658998 1173678396 /nfs/dbraw/zinc/67/83/96/1173678396.db2.gz OVNOMBISUDCBFH-RQOWECAXSA-N -1 1 297.322 1.570 20 0 CDADMM COc1cncc(C=CCCn2ccnc2-c2nn[n-]n2)c1 ZINC001591658998 1173678399 /nfs/dbraw/zinc/67/83/99/1173678399.db2.gz OVNOMBISUDCBFH-RQOWECAXSA-N -1 1 297.322 1.570 20 0 CDADMM CSCCCSc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591699924 1173689635 /nfs/dbraw/zinc/68/96/35/1173689635.db2.gz ORVNHEUXERJKHK-UHFFFAOYSA-N -1 1 282.398 1.810 20 0 CDADMM CSCCCSc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591699924 1173689637 /nfs/dbraw/zinc/68/96/37/1173689637.db2.gz ORVNHEUXERJKHK-UHFFFAOYSA-N -1 1 282.398 1.810 20 0 CDADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001591753052 1173693442 /nfs/dbraw/zinc/69/34/42/1173693442.db2.gz BVKGBHWKXKXHGV-LURQLKTLSA-N -1 1 257.301 1.113 20 0 CDADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001591753052 1173693446 /nfs/dbraw/zinc/69/34/46/1173693446.db2.gz BVKGBHWKXKXHGV-LURQLKTLSA-N -1 1 257.301 1.113 20 0 CDADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001591753105 1173696519 /nfs/dbraw/zinc/69/65/19/1173696519.db2.gz FXIJSZQZGHRPIR-SFKDOBOXSA-N -1 1 289.364 1.703 20 0 CDADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001591753105 1173696525 /nfs/dbraw/zinc/69/65/25/1173696525.db2.gz FXIJSZQZGHRPIR-SFKDOBOXSA-N -1 1 289.364 1.703 20 0 CDADMM Cc1c([C@@H](C)Nc2cccnc2-c2nnn[n-]2)cnn1C ZINC001591813721 1173709112 /nfs/dbraw/zinc/70/91/12/1173709112.db2.gz KTVGNEBTSLKXKJ-MRVPVSSYSA-N -1 1 284.327 1.477 20 0 CDADMM Cc1c([C@@H](C)Nc2cccnc2-c2nn[n-]n2)cnn1C ZINC001591813721 1173709116 /nfs/dbraw/zinc/70/91/16/1173709116.db2.gz KTVGNEBTSLKXKJ-MRVPVSSYSA-N -1 1 284.327 1.477 20 0 CDADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2cc(C3CC3)no2)c1 ZINC001591836793 1173711794 /nfs/dbraw/zinc/71/17/94/1173711794.db2.gz KOQZCSVWGSYQAZ-UHFFFAOYSA-N -1 1 298.306 1.251 20 0 CDADMM Cc1c[nH]cc1C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001591833331 1173712147 /nfs/dbraw/zinc/71/21/47/1173712147.db2.gz IWHWXYFVIXNTBL-UHFFFAOYSA-N -1 1 284.279 1.255 20 0 CDADMM Cc1c[nH]cc1C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001591833331 1173712152 /nfs/dbraw/zinc/71/21/52/1173712152.db2.gz IWHWXYFVIXNTBL-UHFFFAOYSA-N -1 1 284.279 1.255 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C)C[C@@H](CO)C2)c1 ZINC001591883709 1173735582 /nfs/dbraw/zinc/73/55/82/1173735582.db2.gz BYAUQIVGXKMLOG-GHMZBOCLSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](C)C[C@@H](CO)C2)c1 ZINC001591883709 1173735586 /nfs/dbraw/zinc/73/55/86/1173735586.db2.gz BYAUQIVGXKMLOG-GHMZBOCLSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@H]2CCCS2)n1 ZINC001591895894 1173741019 /nfs/dbraw/zinc/74/10/19/1173741019.db2.gz XRXDCHMGOULUCW-SECBINFHSA-N -1 1 291.384 1.663 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@H]2CCCS2)n1 ZINC001591895894 1173741022 /nfs/dbraw/zinc/74/10/22/1173741022.db2.gz XRXDCHMGOULUCW-SECBINFHSA-N -1 1 291.384 1.663 20 0 CDADMM Cc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)ccn1 ZINC001591937549 1173749921 /nfs/dbraw/zinc/74/99/21/1173749921.db2.gz KDAQBEQXIJDKPP-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)ccn1 ZINC001591937549 1173749928 /nfs/dbraw/zinc/74/99/28/1173749928.db2.gz KDAQBEQXIJDKPP-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1cc(C)cc(CN(C)c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001591951432 1173751991 /nfs/dbraw/zinc/75/19/91/1173751991.db2.gz VEDJNLMKISBCDR-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1cc(C)cc(CCNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001591951188 1173752372 /nfs/dbraw/zinc/75/23/72/1173752372.db2.gz MJYZNZBKOWRPHS-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1cc(C)cc(CCNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001591951188 1173752380 /nfs/dbraw/zinc/75/23/80/1173752380.db2.gz MJYZNZBKOWRPHS-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1cc(N[C@@H](C)[C@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001592032730 1173777138 /nfs/dbraw/zinc/77/71/38/1173777138.db2.gz DGGQHPLUJWQVRL-QWRGUYRKSA-N -1 1 288.355 1.219 20 0 CDADMM Cc1cc(N[C@@H](C)[C@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001592032730 1173777142 /nfs/dbraw/zinc/77/71/42/1173777142.db2.gz DGGQHPLUJWQVRL-QWRGUYRKSA-N -1 1 288.355 1.219 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H](CO)CC1CC1 ZINC001592114056 1173805338 /nfs/dbraw/zinc/80/53/38/1173805338.db2.gz MYMORNCEWIIZCM-NSHDSACASA-N -1 1 288.355 1.391 20 0 CDADMM Cc1ccc(CN(c2cnc(-c3nnn[n-]3)cn2)C2CC2)o1 ZINC001592152786 1173816017 /nfs/dbraw/zinc/81/60/17/1173816017.db2.gz IIRNYKIYBGHASU-UHFFFAOYSA-N -1 1 297.322 1.727 20 0 CDADMM Cc1ccc(CN(c2cnc(-c3nn[n-]n3)cn2)C2CC2)o1 ZINC001592152786 1173816022 /nfs/dbraw/zinc/81/60/22/1173816022.db2.gz IIRNYKIYBGHASU-UHFFFAOYSA-N -1 1 297.322 1.727 20 0 CDADMM Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC001592162189 1173818757 /nfs/dbraw/zinc/81/87/57/1173818757.db2.gz VFEWFIWLCXWUFU-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC001592162189 1173818763 /nfs/dbraw/zinc/81/87/63/1173818763.db2.gz VFEWFIWLCXWUFU-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1ccc(CNc2n[nH]c(C)c2-c2nnn[n-]2)o1 ZINC001592166354 1173821040 /nfs/dbraw/zinc/82/10/40/1173821040.db2.gz HCFCOKWATURBSP-UHFFFAOYSA-N -1 1 259.273 1.412 20 0 CDADMM Cc1ccc(CNc2n[nH]c(C)c2-c2nn[n-]n2)o1 ZINC001592166354 1173821047 /nfs/dbraw/zinc/82/10/47/1173821047.db2.gz HCFCOKWATURBSP-UHFFFAOYSA-N -1 1 259.273 1.412 20 0 CDADMM Cc1ccc(F)c(CNc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001592173874 1173823220 /nfs/dbraw/zinc/82/32/20/1173823220.db2.gz UCAMFWHAGPNFHV-UHFFFAOYSA-N -1 1 273.275 1.649 20 0 CDADMM Cc1ccc(F)c(CNc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001592173874 1173823224 /nfs/dbraw/zinc/82/32/24/1173823224.db2.gz UCAMFWHAGPNFHV-UHFFFAOYSA-N -1 1 273.275 1.649 20 0 CDADMM Cc1ccc(F)c(CCNc2nccnc2-c2nnn[n-]2)c1 ZINC001592173547 1173823586 /nfs/dbraw/zinc/82/35/86/1173823586.db2.gz FXVORJFDTDFXGN-UHFFFAOYSA-N -1 1 299.313 1.759 20 0 CDADMM Cc1ccc(F)c(CCNc2nccnc2-c2nn[n-]n2)c1 ZINC001592173547 1173823592 /nfs/dbraw/zinc/82/35/92/1173823592.db2.gz FXVORJFDTDFXGN-UHFFFAOYSA-N -1 1 299.313 1.759 20 0 CDADMM Cc1ccc(N2CCC[C@H]([C@H](C)O)C2)c(-c2nnn[n-]2)n1 ZINC001592177811 1173824805 /nfs/dbraw/zinc/82/48/05/1173824805.db2.gz KPAQQZNYZPYTHG-QWRGUYRKSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(N2CCC[C@H]([C@H](C)O)C2)c(-c2nn[n-]n2)n1 ZINC001592177811 1173824814 /nfs/dbraw/zinc/82/48/14/1173824814.db2.gz KPAQQZNYZPYTHG-QWRGUYRKSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cccc(CCNc2ccc(C)c(-c3nn[n-]n3)n2)n1 ZINC001592230126 1173835521 /nfs/dbraw/zinc/83/55/21/1173835521.db2.gz XASWNVIFHFVURR-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1[nH]nc(NC(=O)Cc2cccc(C)c2)c1-c1nn[n-]n1 ZINC001592229582 1173836871 /nfs/dbraw/zinc/83/68/71/1173836871.db2.gz IRZLKKTWUOZPCK-UHFFFAOYSA-N -1 1 297.322 1.388 20 0 CDADMM Cc1cnccc1CNc1cccc(-c2nnn[n-]2)n1 ZINC001592302234 1173851975 /nfs/dbraw/zinc/85/19/75/1173851975.db2.gz XYFXYYWZSFAZTF-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1cnccc1CNc1cccc(-c2nn[n-]n2)n1 ZINC001592302234 1173851977 /nfs/dbraw/zinc/85/19/77/1173851977.db2.gz XYFXYYWZSFAZTF-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1cnccc1CCNc1cccnc1-c1nnn[n-]1 ZINC001592300878 1173852071 /nfs/dbraw/zinc/85/20/71/1173852071.db2.gz NJDLCJWDDCGLFL-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1cnccc1CCNc1cccnc1-c1nn[n-]n1 ZINC001592300878 1173852074 /nfs/dbraw/zinc/85/20/74/1173852074.db2.gz NJDLCJWDDCGLFL-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@H]2CCOC2)n1 ZINC001592354405 1173865525 /nfs/dbraw/zinc/86/55/25/1173865525.db2.gz QOQKXNVXDPVXPJ-QMMMGPOBSA-N -1 1 278.341 1.155 20 0 CDADMM COc1ccc(CN2CCN(C3CC3)CC2)cc1C(=O)[O-] ZINC000087829561 1173875313 /nfs/dbraw/zinc/87/53/13/1173875313.db2.gz URZKUZMJXRONIL-UHFFFAOYSA-N -1 1 290.363 1.673 20 0 CDADMM Cc1ncsc1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001592425087 1173886715 /nfs/dbraw/zinc/88/67/15/1173886715.db2.gz RBCRZWLITLASKB-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM Cc1ncsc1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001592425087 1173886722 /nfs/dbraw/zinc/88/67/22/1173886722.db2.gz RBCRZWLITLASKB-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM Cc1noc(C(C)(C)NCc2ccc(-c3nnn[n-]3)o2)n1 ZINC001592455618 1173892906 /nfs/dbraw/zinc/89/29/06/1173892906.db2.gz OTRCYJZXSLCPKT-UHFFFAOYSA-N -1 1 289.299 1.176 20 0 CDADMM Cc1noc(C(C)(C)NCc2ccc(-c3nn[n-]n3)o2)n1 ZINC001592455618 1173892908 /nfs/dbraw/zinc/89/29/08/1173892908.db2.gz OTRCYJZXSLCPKT-UHFFFAOYSA-N -1 1 289.299 1.176 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCOCC(C)C ZINC001592503981 1173907067 /nfs/dbraw/zinc/90/70/67/1173907067.db2.gz NTRYLOOTNAEAFU-UHFFFAOYSA-N -1 1 294.311 1.598 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCOCC(C)C ZINC001592503981 1173907072 /nfs/dbraw/zinc/90/70/72/1173907072.db2.gz NTRYLOOTNAEAFU-UHFFFAOYSA-N -1 1 294.311 1.598 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC1CCSCC1 ZINC001592501467 1173909101 /nfs/dbraw/zinc/90/91/01/1173909101.db2.gz LHHVSJZNCUPZRO-UHFFFAOYSA-N -1 1 294.336 1.821 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC1CCSCC1 ZINC001592501467 1173909105 /nfs/dbraw/zinc/90/91/05/1173909105.db2.gz LHHVSJZNCUPZRO-UHFFFAOYSA-N -1 1 294.336 1.821 20 0 CDADMM Clc1ccccc1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001592536701 1173915266 /nfs/dbraw/zinc/91/52/66/1173915266.db2.gz SRGKNMUFKLHAOE-UHFFFAOYSA-N -1 1 286.726 1.949 20 0 CDADMM Clc1ccccc1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001592536701 1173915273 /nfs/dbraw/zinc/91/52/73/1173915273.db2.gz SRGKNMUFKLHAOE-UHFFFAOYSA-N -1 1 286.726 1.949 20 0 CDADMM Clc1nc(NCC2CSC2)sc1-c1nn[n-]n1 ZINC001592541171 1173916671 /nfs/dbraw/zinc/91/66/71/1173916671.db2.gz UYTINZLRIBPWAW-UHFFFAOYSA-N -1 1 288.789 1.752 20 0 CDADMM Clc1nc(NCC2CSC2)sc1-c1nnn[n-]1 ZINC001592541171 1173916665 /nfs/dbraw/zinc/91/66/65/1173916665.db2.gz UYTINZLRIBPWAW-UHFFFAOYSA-N -1 1 288.789 1.752 20 0 CDADMM Clc1nc(N2CCCC2)sc1-c1nnn[n-]1 ZINC001592540332 1173916769 /nfs/dbraw/zinc/91/67/69/1173916769.db2.gz IJJONBOWIDDAJD-UHFFFAOYSA-N -1 1 256.722 1.577 20 0 CDADMM Clc1nc(N2CCCC2)sc1-c1nn[n-]n1 ZINC001592540332 1173916773 /nfs/dbraw/zinc/91/67/73/1173916773.db2.gz IJJONBOWIDDAJD-UHFFFAOYSA-N -1 1 256.722 1.577 20 0 CDADMM Cn1cccc1CNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001592584649 1173922653 /nfs/dbraw/zinc/92/26/53/1173922653.db2.gz UDJIGQUKYVCQEJ-UHFFFAOYSA-N -1 1 288.336 1.197 20 0 CDADMM Cn1cccc1CNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001592584649 1173922654 /nfs/dbraw/zinc/92/26/54/1173922654.db2.gz UDJIGQUKYVCQEJ-UHFFFAOYSA-N -1 1 288.336 1.197 20 0 CDADMM FC(F)(F)[C@@H]1C[C@H]1CNc1ncncc1-c1nn[n-]n1 ZINC001592617684 1173929620 /nfs/dbraw/zinc/92/96/20/1173929620.db2.gz AZOQYAZZWSNJAK-CAHLUQPWSA-N -1 1 285.233 1.267 20 0 CDADMM FC1(CCNc2ccnc(-c3nnn[n-]3)c2)CCC1 ZINC001592628585 1173935031 /nfs/dbraw/zinc/93/50/31/1173935031.db2.gz WOLSOXUAYVGZKU-UHFFFAOYSA-N -1 1 262.292 1.956 20 0 CDADMM FC1(CCNc2ccnc(-c3nn[n-]n3)c2)CCC1 ZINC001592628585 1173935039 /nfs/dbraw/zinc/93/50/39/1173935039.db2.gz WOLSOXUAYVGZKU-UHFFFAOYSA-N -1 1 262.292 1.956 20 0 CDADMM F[C@]1(c2ccccc2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001592631078 1173940750 /nfs/dbraw/zinc/94/07/50/1173940750.db2.gz PTJBQVLYWNBHPX-FZMZJTMJSA-N -1 1 297.297 1.706 20 0 CDADMM F[C@]1(c2ccccc2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001592631078 1173940752 /nfs/dbraw/zinc/94/07/52/1173940752.db2.gz PTJBQVLYWNBHPX-FZMZJTMJSA-N -1 1 297.297 1.706 20 0 CDADMM N#CN(Cc1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC001592680926 1173967961 /nfs/dbraw/zinc/96/79/61/1173967961.db2.gz OJIVVEOAZKAFCO-UHFFFAOYSA-N -1 1 266.264 1.947 20 0 CDADMM N#CN(Cc1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC001592680926 1173967967 /nfs/dbraw/zinc/96/79/67/1173967967.db2.gz OJIVVEOAZKAFCO-UHFFFAOYSA-N -1 1 266.264 1.947 20 0 CDADMM O=C(CCC1CCC1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592830199 1173994010 /nfs/dbraw/zinc/99/40/10/1173994010.db2.gz VCQGIDQKDFQGKM-UHFFFAOYSA-N -1 1 286.339 1.458 20 0 CDADMM O=C(CCC1CCC1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592830199 1173994023 /nfs/dbraw/zinc/99/40/23/1173994023.db2.gz VCQGIDQKDFQGKM-UHFFFAOYSA-N -1 1 286.339 1.458 20 0 CDADMM O=C(N[C@@H]1CCCC1(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC001592979849 1174010303 /nfs/dbraw/zinc/01/03/03/1174010303.db2.gz ULYQGEFVZUSPOS-MRVPVSSYSA-N -1 1 299.306 1.846 20 0 CDADMM O=C(N[C@@H]1CCCC1(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC001592979849 1174010307 /nfs/dbraw/zinc/01/03/07/1174010307.db2.gz ULYQGEFVZUSPOS-MRVPVSSYSA-N -1 1 299.306 1.846 20 0 CDADMM O=C(NCC1=CCCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593021488 1174012382 /nfs/dbraw/zinc/01/23/82/1174012382.db2.gz HVRTWEWZNOENQD-UHFFFAOYSA-N -1 1 287.298 1.846 20 0 CDADMM O=C(NCC1=CCCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593021488 1174012387 /nfs/dbraw/zinc/01/23/87/1174012387.db2.gz HVRTWEWZNOENQD-UHFFFAOYSA-N -1 1 287.298 1.846 20 0 CDADMM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1ccsc1-c1nnn[n-]1 ZINC001593003480 1174013073 /nfs/dbraw/zinc/01/30/73/1174013073.db2.gz GGIKKVGMRHDAPS-SRSLHRDFSA-N -1 1 275.337 1.457 20 0 CDADMM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1ccsc1-c1nn[n-]n1 ZINC001593003480 1174013081 /nfs/dbraw/zinc/01/30/81/1174013081.db2.gz GGIKKVGMRHDAPS-SRSLHRDFSA-N -1 1 275.337 1.457 20 0 CDADMM O=C(NC[C@H]1CCC(F)(F)C1)c1coc(-c2nnn[n-]2)c1 ZINC001593029015 1174015272 /nfs/dbraw/zinc/01/52/72/1174015272.db2.gz IJQOMTIABJOQNY-ZETCQYMHSA-N -1 1 297.265 1.625 20 0 CDADMM O=C(NC[C@H]1CCC(F)(F)C1)c1coc(-c2nn[n-]n2)c1 ZINC001593029015 1174015277 /nfs/dbraw/zinc/01/52/77/1174015277.db2.gz IJQOMTIABJOQNY-ZETCQYMHSA-N -1 1 297.265 1.625 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCCOC1 ZINC001593299808 1174058308 /nfs/dbraw/zinc/05/83/08/1174058308.db2.gz YXHFCYYQGBIHOJ-MRVPVSSYSA-N -1 1 294.336 1.398 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001593301775 1174059948 /nfs/dbraw/zinc/05/99/48/1174059948.db2.gz DVZRYLMVHVJTKV-TUAOUCFPSA-N -1 1 299.334 1.741 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001593301775 1174059954 /nfs/dbraw/zinc/05/99/54/1174059954.db2.gz DVZRYLMVHVJTKV-TUAOUCFPSA-N -1 1 299.334 1.741 20 0 CDADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CCCCC1 ZINC001593327796 1174064948 /nfs/dbraw/zinc/06/49/48/1174064948.db2.gz LZZJUZLGNYCIRA-UHFFFAOYSA-N -1 1 293.277 1.771 20 0 CDADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCCCC1 ZINC001593327796 1174064956 /nfs/dbraw/zinc/06/49/56/1174064956.db2.gz LZZJUZLGNYCIRA-UHFFFAOYSA-N -1 1 293.277 1.771 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC(CC(F)F)C1 ZINC001593339460 1174068133 /nfs/dbraw/zinc/06/81/33/1174068133.db2.gz RSQRZRQQOZIWRN-UHFFFAOYSA-N -1 1 299.306 1.655 20 0 CDADMM O=C(c1csc(-c2nn[n-]n2)c1)N1OC2CCC1CC2 ZINC001593370217 1174071536 /nfs/dbraw/zinc/07/15/36/1174071536.db2.gz NTQNGORARYXDFJ-UHFFFAOYSA-N -1 1 291.336 1.627 20 0 CDADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC=C(F)C1 ZINC001593371592 1174072915 /nfs/dbraw/zinc/07/29/15/1174072915.db2.gz UTRVUWUFWXNHAD-UHFFFAOYSA-N -1 1 279.300 1.628 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1CC1CCCCC1 ZINC001593493650 1174086676 /nfs/dbraw/zinc/08/66/76/1174086676.db2.gz KHLYFPKSJXXPFO-UHFFFAOYSA-N -1 1 259.313 1.609 20 0 CDADMM O[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C2(CCC2)C1 ZINC001593520850 1174100652 /nfs/dbraw/zinc/10/06/52/1174100652.db2.gz XIWDSWDJRDFOLL-SNVBAGLBSA-N -1 1 286.339 1.146 20 0 CDADMM O[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C2(CCC2)C1 ZINC001593520850 1174100655 /nfs/dbraw/zinc/10/06/55/1174100655.db2.gz XIWDSWDJRDFOLL-SNVBAGLBSA-N -1 1 286.339 1.146 20 0 CDADMM c1cc(N[C@H]2CC23CCCC3)cc(-c2nnn[n-]2)n1 ZINC001593557986 1174132576 /nfs/dbraw/zinc/13/25/76/1174132576.db2.gz FJBCWIFJTTZYTR-NSHDSACASA-N -1 1 256.313 1.428 20 0 CDADMM c1cc(N[C@H]2CC23CCCC3)cc(-c2nn[n-]n2)n1 ZINC001593557986 1174132578 /nfs/dbraw/zinc/13/25/78/1174132578.db2.gz FJBCWIFJTTZYTR-NSHDSACASA-N -1 1 256.313 1.428 20 0 CDADMM c1ccc(C2(CNc3cc(-c4nnn[n-]4)ncn3)CC2)nc1 ZINC001593571437 1174143087 /nfs/dbraw/zinc/14/30/87/1174143087.db2.gz SRUOHTAZCZPARS-UHFFFAOYSA-N -1 1 294.322 1.195 20 0 CDADMM c1ccc(C2(CNc3cc(-c4nn[n-]n4)ncn3)CC2)nc1 ZINC001593571437 1174143092 /nfs/dbraw/zinc/14/30/92/1174143092.db2.gz SRUOHTAZCZPARS-UHFFFAOYSA-N -1 1 294.322 1.195 20 0 CDADMM c1coc([C@@H]2C[C@H]2Nc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001593588849 1174154767 /nfs/dbraw/zinc/15/47/67/1174154767.db2.gz JHSKDUDUGFJICP-NXEZZACHSA-N -1 1 268.280 1.245 20 0 CDADMM c1coc([C@@H]2C[C@H]2Nc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001593588849 1174154771 /nfs/dbraw/zinc/15/47/71/1174154771.db2.gz JHSKDUDUGFJICP-NXEZZACHSA-N -1 1 268.280 1.245 20 0 CDADMM c1cnc2cc(Oc3ccc(-c4nnn[n-]4)nn3)ccc2c1 ZINC001593587894 1174155345 /nfs/dbraw/zinc/15/53/45/1174155345.db2.gz PODPOGHICSLQIY-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1cnc2cc(Oc3ccc(-c4nn[n-]n4)nn3)ccc2c1 ZINC001593587894 1174155349 /nfs/dbraw/zinc/15/53/49/1174155349.db2.gz PODPOGHICSLQIY-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1nc(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001593591392 1174159463 /nfs/dbraw/zinc/15/94/63/1174159463.db2.gz PDAMGXLIKROXNB-BBBLOLIVSA-N -1 1 271.328 1.505 20 0 CDADMM c1nc(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001593591392 1174159467 /nfs/dbraw/zinc/15/94/67/1174159467.db2.gz PDAMGXLIKROXNB-BBBLOLIVSA-N -1 1 271.328 1.505 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(N[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC001593595526 1174164862 /nfs/dbraw/zinc/16/48/62/1174164862.db2.gz SKTXLRXUJFRMQT-XHNCKOQMSA-N -1 1 257.301 1.257 20 0 CDADMM Cc1cc(CN2CCC(C(=O)N(C)C)CC2)oc1C(=O)[O-] ZINC001600191879 1174396257 /nfs/dbraw/zinc/39/62/57/1174396257.db2.gz IURPSKUEBJQEJR-UHFFFAOYSA-N -1 1 294.351 1.586 20 0 CDADMM Cc1cc(CN[C@H](C)[C@H]2CN(C)CCO2)oc1C(=O)[O-] ZINC001600203612 1174405901 /nfs/dbraw/zinc/40/59/01/1174405901.db2.gz QCZMFKSJLJODKM-ZYHUDNBSSA-N -1 1 282.340 1.095 20 0 CDADMM Cc1ccc([C@H](NCc2nnc[nH]2)C(=O)[O-])cc1C ZINC001600383911 1174459044 /nfs/dbraw/zinc/45/90/44/1174459044.db2.gz BASFSPWHKCOUPG-LBPRGKRZSA-N -1 1 260.297 1.337 20 0 CDADMM C[C@H](N(C)c1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC000095195268 1174510195 /nfs/dbraw/zinc/51/01/95/1174510195.db2.gz QJZUWIDLQUTNCI-QMMMGPOBSA-N -1 1 261.333 1.528 20 0 CDADMM C[C@H](N(C)c1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC000095195268 1174510200 /nfs/dbraw/zinc/51/02/00/1174510200.db2.gz QJZUWIDLQUTNCI-QMMMGPOBSA-N -1 1 261.333 1.528 20 0 CDADMM Cc1ccncc1CN1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001600605615 1174525106 /nfs/dbraw/zinc/52/51/06/1174525106.db2.gz WXRASSGMYWKURR-LBPRGKRZSA-N -1 1 287.323 1.127 20 0 CDADMM Cc1cnc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c(O)c1 ZINC001600616136 1174529829 /nfs/dbraw/zinc/52/98/29/1174529829.db2.gz MYFLTLOJSKYTAK-LLVKDONJSA-N -1 1 298.298 1.924 20 0 CDADMM Cc1nc(NC(=O)[C@H](C)N[C@H](C(=O)[O-])C2CC2)sc1C ZINC001600710563 1174574345 /nfs/dbraw/zinc/57/43/45/1174574345.db2.gz GOUAYLIVSQRLPY-XVKPBYJWSA-N -1 1 297.380 1.540 20 0 CDADMM Cc1noc(C2CCN(Cc3c[nH]c(C(=O)[O-])c3)CC2)n1 ZINC001600814094 1174624517 /nfs/dbraw/zinc/62/45/17/1174624517.db2.gz YEUBJOGQFAYNTK-UHFFFAOYSA-N -1 1 290.323 1.784 20 0 CDADMM Cc1oc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1C(=O)[O-] ZINC001600845346 1174639160 /nfs/dbraw/zinc/63/91/60/1174639160.db2.gz LFTKTSYHAKVUGI-XHVZSJERSA-N -1 1 292.335 1.372 20 0 CDADMM Cn1c(CNCc2cnn(CCF)c2)ccc1C(=O)[O-] ZINC001600915846 1174663937 /nfs/dbraw/zinc/66/39/37/1174663937.db2.gz KJGNLYMSGOGUCH-UHFFFAOYSA-N -1 1 280.303 1.179 20 0 CDADMM CN(C[C@@H]1CCCCO1)c1ccnc(-c2nnn[n-]2)c1 ZINC000103620913 1174684787 /nfs/dbraw/zinc/68/47/87/1174684787.db2.gz HOFZHSLQYWRIMJ-NSHDSACASA-N -1 1 274.328 1.267 20 0 CDADMM CN(C[C@@H]1CCCCO1)c1ccnc(-c2nn[n-]n2)c1 ZINC000103620913 1174684791 /nfs/dbraw/zinc/68/47/91/1174684791.db2.gz HOFZHSLQYWRIMJ-NSHDSACASA-N -1 1 274.328 1.267 20 0 CDADMM Cn1nc(C(=O)[O-])cc1NC(=O)c1[nH]cnc1C(C)(C)C ZINC001601004920 1174700334 /nfs/dbraw/zinc/70/03/34/1174700334.db2.gz NLIXAUZJFOQLHD-UHFFFAOYSA-N -1 1 291.311 1.391 20 0 CDADMM O=C([O-])[C@@H](NC(=O)c1ncn[nH]1)c1ccc(Cl)c(F)c1 ZINC001601396119 1174854999 /nfs/dbraw/zinc/85/49/99/1174854999.db2.gz RMHBKWAZRNLWGQ-QMMMGPOBSA-N -1 1 298.661 1.153 20 0 CDADMM O=C([O-])[C@@H](NC(=O)c1nc[nH]n1)c1ccc(Cl)c(F)c1 ZINC001601396119 1174855001 /nfs/dbraw/zinc/85/50/01/1174855001.db2.gz RMHBKWAZRNLWGQ-QMMMGPOBSA-N -1 1 298.661 1.153 20 0 CDADMM O=C([O-])[C@@H](c1cccnc1)N1CCCC2(C1)OCCO2 ZINC001601699064 1174952829 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273.329 1.375 20 0 CDADMM O=C(Nc1nnc2ccccn21)c1ccccc1[O-] ZINC000123690346 279440496 /nfs/dbraw/zinc/44/04/96/279440496.db2.gz PFTRIGZBUVUATI-UHFFFAOYSA-N -1 1 254.249 1.687 20 0 CDADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CCc2c[nH]nc2C1 ZINC000530006432 281414512 /nfs/dbraw/zinc/41/45/12/281414512.db2.gz RYDWUKUJEKSYAH-QMMMGPOBSA-N -1 1 275.283 1.998 20 0 CDADMM O=C(NCCc1cscn1)c1csc(=NC2CC2)[n-]1 ZINC000532687165 282024532 /nfs/dbraw/zinc/02/45/32/282024532.db2.gz MVMGMMARZSSLQS-UHFFFAOYSA-N -1 1 294.405 1.568 20 0 CDADMM CC[C@H](O)CC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000156778463 289271366 /nfs/dbraw/zinc/27/13/66/289271366.db2.gz PUHSWWYBKIGGET-NSHDSACASA-N -1 1 283.349 1.872 20 0 CDADMM C[C@H](C(=O)N1CCN(c2nc(=N)[n-]s2)CC1)C(C)(C)C ZINC000408260873 289287264 /nfs/dbraw/zinc/28/72/64/289287264.db2.gz JJYCSBIBZDEICN-SECBINFHSA-N -1 1 297.428 1.281 20 0 CDADMM CC[C@@H]1CN(c2ccnc(-c3nnn[n-]3)c2)[C@H](C)CO1 ZINC001590520835 1173448707 /nfs/dbraw/zinc/44/87/07/1173448707.db2.gz JOSJTKIODXHGAI-MWLCHTKSSA-N -1 1 274.328 1.265 20 0 CDADMM CC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)c2)[C@H](C)CO1 ZINC001590520835 1173448712 /nfs/dbraw/zinc/44/87/12/1173448712.db2.gz JOSJTKIODXHGAI-MWLCHTKSSA-N -1 1 274.328 1.265 20 0 CDADMM Cn1[n-]c(CSc2ccc(C(F)(F)F)nn2)nc1=O ZINC000547955704 289822176 /nfs/dbraw/zinc/82/21/76/289822176.db2.gz NDVKOKMSJFQNNF-UHFFFAOYSA-N -1 1 291.258 1.210 20 0 CDADMM O=c1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)n[nH]1 ZINC000548770965 289928105 /nfs/dbraw/zinc/92/81/05/289928105.db2.gz ASKCKMIFXAYMGS-UHFFFAOYSA-N -1 1 291.288 1.729 20 0 CDADMM CC[C@@H](C)CCC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000552122291 290052275 /nfs/dbraw/zinc/05/22/75/290052275.db2.gz RXXCAEPJUBPXRZ-MNOVXSKESA-N -1 1 265.361 1.732 20 0 CDADMM FC(F)(F)c1nc(=NCCOC[C@@H]2CCCO2)s[n-]1 ZINC000553105886 290094657 /nfs/dbraw/zinc/09/46/57/290094657.db2.gz JJMHRVRUGHYNPX-ZETCQYMHSA-N -1 1 297.302 1.586 20 0 CDADMM Cc1ccc(CCNC(=O)C(=O)c2ccc([O-])cc2)cn1 ZINC000554499826 290165301 /nfs/dbraw/zinc/16/53/01/290165301.db2.gz PJFXAGULLXOHAZ-UHFFFAOYSA-N -1 1 284.315 1.637 20 0 CDADMM O=C([O-])[C@H]1CN(CC2CCC(F)(F)CC2)CCO1 ZINC000563285063 293334336 /nfs/dbraw/zinc/33/43/36/293334336.db2.gz XIQOCDCKWSFCSX-SNVBAGLBSA-N -1 1 263.284 1.597 20 0 CDADMM CCC[C@@H](O)CCCSc1cnc(-c2nnn[n-]2)cn1 ZINC001590559599 1173463966 /nfs/dbraw/zinc/46/39/66/1173463966.db2.gz IMNYOPBMOPYJPM-SECBINFHSA-N -1 1 294.384 1.690 20 0 CDADMM CCC[C@@H](O)CCCSc1cnc(-c2nn[n-]n2)cn1 ZINC001590559599 1173463969 /nfs/dbraw/zinc/46/39/69/1173463969.db2.gz IMNYOPBMOPYJPM-SECBINFHSA-N -1 1 294.384 1.690 20 0 CDADMM CCCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001590571471 1173466037 /nfs/dbraw/zinc/46/60/37/1173466037.db2.gz DTSLURHCLKWTHG-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM CCCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001590571471 1173466041 /nfs/dbraw/zinc/46/60/41/1173466041.db2.gz DTSLURHCLKWTHG-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM COC1(C)CCN(C(=O)c2cccc3nn[nH]c32)CC1 ZINC000568583307 294060703 /nfs/dbraw/zinc/06/07/03/294060703.db2.gz CVXJJPHHBHVAOX-UHFFFAOYSA-N -1 1 274.324 1.599 20 0 CDADMM CC(C)(C)c1nnc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)[nH]1 ZINC000570808347 294312831 /nfs/dbraw/zinc/31/28/31/294312831.db2.gz MZIOVOIYBBNOTO-JTQLQIEISA-N -1 1 292.383 1.789 20 0 CDADMM CCOC1CC(COC(=O)c2ccc(-c3nn[nH]n3)o2)C1 ZINC001590788930 1173510335 /nfs/dbraw/zinc/51/03/35/1173510335.db2.gz VYHQNKPLDDXADE-UHFFFAOYSA-N -1 1 292.295 1.432 20 0 CDADMM CCOC1CC(COC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590788930 1173510340 /nfs/dbraw/zinc/51/03/40/1173510340.db2.gz VYHQNKPLDDXADE-UHFFFAOYSA-N -1 1 292.295 1.432 20 0 CDADMM C[C@H]1CN(C(=O)c2cc(F)ccc2[O-])CCCO1 ZINC000147681791 300187612 /nfs/dbraw/zinc/18/76/12/300187612.db2.gz UMOZBKPAGNVFFS-VIFPVBQESA-N -1 1 253.273 1.782 20 0 CDADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCC2(CCCC2)C1 ZINC000377854012 302864763 /nfs/dbraw/zinc/86/47/63/302864763.db2.gz DIEHFVRCKPLMLI-UHFFFAOYSA-N -1 1 285.369 1.350 20 0 CDADMM NC(=O)Nc1cccc(CNC(=O)c2ncccc2[O-])c1 ZINC000338047323 303288264 /nfs/dbraw/zinc/28/82/64/303288264.db2.gz ZPZNRXWEGUUQLU-UHFFFAOYSA-N -1 1 286.291 1.208 20 0 CDADMM CO[C@@](C)([C@@H](C)Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001591318603 1173604993 /nfs/dbraw/zinc/60/49/93/1173604993.db2.gz SZSDYEXCGCIHHL-OQPBUACISA-N -1 1 289.343 1.272 20 0 CDADMM CO[C@@](C)([C@@H](C)Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001591318603 1173604997 /nfs/dbraw/zinc/60/49/97/1173604997.db2.gz SZSDYEXCGCIHHL-OQPBUACISA-N -1 1 289.343 1.272 20 0 CDADMM CO[C@@H](C)CN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591323041 1173610581 /nfs/dbraw/zinc/61/05/81/1173610581.db2.gz LIKXIPOBULQDHU-YFKPBYRVSA-N -1 1 288.764 1.448 20 0 CDADMM COCC(C)(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001591369361 1173634610 /nfs/dbraw/zinc/63/46/10/1173634610.db2.gz MQLUGNUROYGBHF-UHFFFAOYSA-N -1 1 277.332 1.131 20 0 CDADMM COCCC(C)(C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591398593 1173644115 /nfs/dbraw/zinc/64/41/15/1173644115.db2.gz YHEUTIRVCOTMNV-UHFFFAOYSA-N -1 1 279.300 1.005 20 0 CDADMM COCCC(C)(C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591398593 1173644118 /nfs/dbraw/zinc/64/41/18/1173644118.db2.gz YHEUTIRVCOTMNV-UHFFFAOYSA-N -1 1 279.300 1.005 20 0 CDADMM COCC[C@@H](C)CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591398992 1173647605 /nfs/dbraw/zinc/64/76/05/1173647605.db2.gz MAEJCSXMRLPFJL-MRVPVSSYSA-N -1 1 295.368 1.331 20 0 CDADMM CS[C@@H](C)COC(=O)c1sccc1-c1nn[n-]n1 ZINC001591688962 1173681772 /nfs/dbraw/zinc/68/17/72/1173681772.db2.gz GEABAPDJMPYPOK-LURJTMIESA-N -1 1 284.366 1.837 20 0 CDADMM O=C1CC[C@H](c2nc(-c3ccc([O-])cc3F)no2)CN1 ZINC000350841226 316210923 /nfs/dbraw/zinc/21/09/23/316210923.db2.gz MYDPIXNBXVNNIQ-ZETCQYMHSA-N -1 1 277.255 1.575 20 0 CDADMM CCOC(=O)[C@@H](CC)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000563890246 316392061 /nfs/dbraw/zinc/39/20/61/316392061.db2.gz PKVSVIMTSMVEFI-NWDGAFQWSA-N -1 1 271.357 1.905 20 0 CDADMM O=S(=O)([N-][C@@H]1CCC[C@H]1OC(F)F)c1cscn1 ZINC000576342190 317121101 /nfs/dbraw/zinc/12/11/01/317121101.db2.gz HKXHLBHKFJIKKQ-RNFRBKRXSA-N -1 1 298.336 1.582 20 0 CDADMM Cc1nc(Oc2cccnc2Cl)cc(-c2nnn[n-]2)n1 ZINC001592397526 1173880761 /nfs/dbraw/zinc/88/07/61/1173880761.db2.gz UISQCRIGZIZREW-UHFFFAOYSA-N -1 1 289.686 1.806 20 0 CDADMM Cc1nc(Oc2cccnc2Cl)cc(-c2nn[n-]n2)n1 ZINC001592397526 1173880765 /nfs/dbraw/zinc/88/07/65/1173880765.db2.gz UISQCRIGZIZREW-UHFFFAOYSA-N -1 1 289.686 1.806 20 0 CDADMM CC(C)(C)[C@@H]1C[C@H](Nc2nc(C(=O)[O-])co2)CCO1 ZINC000578993684 324076367 /nfs/dbraw/zinc/07/63/67/324076367.db2.gz YMBQPCJZBUFDNQ-SCZZXKLOSA-N -1 1 268.313 1.800 20 0 CDADMM Cc1cc(C2CCN(C(=O)[C@H](C)C(=O)[O-])CC2)n[nH]1 ZINC000579230413 324134592 /nfs/dbraw/zinc/13/45/92/324134592.db2.gz LYHCEGIBZJQZMX-VIFPVBQESA-N -1 1 265.313 1.145 20 0 CDADMM CO[C@H]1c2ccccc2C[C@H]1Nc1nc2[nH][n-]cc-2c(=O)n1 ZINC000579447729 324186764 /nfs/dbraw/zinc/18/67/64/324186764.db2.gz MDBGLZRUTXCJQV-NEPJUHHUSA-N -1 1 297.318 1.156 20 0 CDADMM CCCc1nc(=NC(=O)N2CCN(C)C[C@@H]2CC)s[n-]1 ZINC000580040052 324347386 /nfs/dbraw/zinc/34/73/86/324347386.db2.gz UQRARPKWNLILDA-JTQLQIEISA-N -1 1 297.428 1.470 20 0 CDADMM CN(C(=O)c1cc(Cl)ccc1[O-])[C@H]1CCC(=O)N(C)C1 ZINC000582921275 325071463 /nfs/dbraw/zinc/07/14/63/325071463.db2.gz USIJAGMLWLGSOK-JTQLQIEISA-N -1 1 296.754 1.738 20 0 CDADMM Cc1nsc(S[C@@H]2CCOC2)c1-c1nnn[n-]1 ZINC001592494516 1173904761 /nfs/dbraw/zinc/90/47/61/1173904761.db2.gz ZLTRDOSMXLXQSM-ZCFIWIBFSA-N -1 1 269.355 1.513 20 0 CDADMM Cc1nsc(S[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC001592494516 1173904767 /nfs/dbraw/zinc/90/47/67/1173904767.db2.gz ZLTRDOSMXLXQSM-ZCFIWIBFSA-N -1 1 269.355 1.513 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC(C)(C)C1 ZINC001592496806 1173905090 /nfs/dbraw/zinc/90/50/90/1173905090.db2.gz LFRGRNPVKYMLHU-UHFFFAOYSA-N -1 1 275.312 1.640 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC(C)(C)C1 ZINC001592496806 1173905097 /nfs/dbraw/zinc/90/50/97/1173905097.db2.gz LFRGRNPVKYMLHU-UHFFFAOYSA-N -1 1 275.312 1.640 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCc1cn[nH]c1 ZINC000379780954 1159730647 /nfs/dbraw/zinc/73/06/47/1159730647.db2.gz BURKTYIWYVUQFE-UHFFFAOYSA-N -1 1 289.339 1.310 20 0 CDADMM CCc1cc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)n[nH]1 ZINC000676214784 482258154 /nfs/dbraw/zinc/25/81/54/482258154.db2.gz JPIOFWIHZXYBTK-VIFPVBQESA-N -1 1 265.313 1.299 20 0 CDADMM COc1ccc([O-])c(S(=O)(=O)NCc2ccc[nH]2)c1 ZINC001414232327 1160548817 /nfs/dbraw/zinc/54/88/17/1160548817.db2.gz VRQBTWNENYDXEV-UHFFFAOYSA-N -1 1 282.321 1.207 20 0 CDADMM CCN(Cc1ccccc1)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662201145 482604600 /nfs/dbraw/zinc/60/46/00/482604600.db2.gz PGVSQIRNDVDLCC-ZDUSSCGKSA-N -1 1 276.336 1.194 20 0 CDADMM COCCOCCCNC(=O)c1ccc([O-])c(F)c1 ZINC000681016493 482657313 /nfs/dbraw/zinc/65/73/13/482657313.db2.gz PSNGHQXTCOUWGY-UHFFFAOYSA-N -1 1 271.288 1.314 20 0 CDADMM CC(C)N1C[C@@H](NC(=O)c2ccc([O-])c(F)c2)CC1=O ZINC000681038652 482664930 /nfs/dbraw/zinc/66/49/30/482664930.db2.gz FGKGNBAYCNFURD-JTQLQIEISA-N -1 1 280.299 1.270 20 0 CDADMM CN(CCCn1ccnc1)C(=O)c1ccc([O-])c(F)c1 ZINC000681057811 482676369 /nfs/dbraw/zinc/67/63/69/482676369.db2.gz XKHCCOACSAXHDP-UHFFFAOYSA-N -1 1 277.299 1.890 20 0 CDADMM CC(=O)N1CC[C@@H](CN(C)C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681058590 482676899 /nfs/dbraw/zinc/67/68/99/482676899.db2.gz PVBVLSKEBTZBTQ-NSHDSACASA-N -1 1 294.326 1.472 20 0 CDADMM Cc1ccc(CCN2CCOC[C@H]2CC(=O)[O-])cc1 ZINC000257661063 482744117 /nfs/dbraw/zinc/74/41/17/482744117.db2.gz IXSBLVDOAFSLTC-CQSZACIVSA-N -1 1 263.337 1.713 20 0 CDADMM Cc1cc(CNC(=O)c2c([O-])cccc2F)ncn1 ZINC000681239504 482762193 /nfs/dbraw/zinc/76/21/93/482762193.db2.gz FJFYULJEWZVSIT-UHFFFAOYSA-N -1 1 261.256 1.560 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CC([C@@H]2CCOC2)C1 ZINC000684346352 482764966 /nfs/dbraw/zinc/76/49/66/482764966.db2.gz ZQYXCFOPMBVGDP-SNVBAGLBSA-N -1 1 265.284 1.640 20 0 CDADMM Cc1[nH]ccc1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000670383452 482870714 /nfs/dbraw/zinc/87/07/14/482870714.db2.gz OIQIKBAPDVNYNA-SECBINFHSA-N -1 1 276.296 1.432 20 0 CDADMM CCO[C@@H]1C[C@@H](NC(=O)c2ccc([O-])c(F)c2)[C@H]1OC ZINC000681540411 482898202 /nfs/dbraw/zinc/89/82/02/482898202.db2.gz JWMWXGHSBDHDIM-RAIGVLPGSA-N -1 1 283.299 1.454 20 0 CDADMM CC(=O)NCCCNC(=O)c1ncc2ccccc2c1[O-] ZINC000666002260 482966186 /nfs/dbraw/zinc/96/61/86/482966186.db2.gz CKYLUECJOAHQHR-UHFFFAOYSA-N -1 1 287.319 1.196 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc([O-])c(F)c2)[C@@H](C(N)=O)C1 ZINC000681758737 482996227 /nfs/dbraw/zinc/99/62/27/482996227.db2.gz HGLJQLPYJUWJJF-LDYMZIIASA-N -1 1 280.299 1.257 20 0 CDADMM Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CCC[C@@H](CC(N)=O)CC2)n1 ZINC000671505787 483178570 /nfs/dbraw/zinc/17/85/70/483178570.db2.gz DLJXQSZDMGFUDE-VXGBXAGGSA-N -1 1 292.383 1.529 20 0 CDADMM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NCc1nn[n-]n1 ZINC000683135618 483427842 /nfs/dbraw/zinc/42/78/42/483427842.db2.gz XCSCYPMZDVOWTR-WDEREUQCSA-N -1 1 285.351 1.805 20 0 CDADMM O=C([O-])C[C@H]1CCCN(C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000676218520 483440048 /nfs/dbraw/zinc/44/00/48/483440048.db2.gz QKANEAXHVZOANH-MNOVXSKESA-N -1 1 291.351 1.543 20 0 CDADMM O=C([O-])C[C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000676218519 483440203 /nfs/dbraw/zinc/44/02/03/483440203.db2.gz QKANEAXHVZOANH-GHMZBOCLSA-N -1 1 291.351 1.543 20 0 CDADMM O=C([O-])C1(NCC(=O)NCc2cccs2)CCCC1 ZINC000676230664 483442355 /nfs/dbraw/zinc/44/23/55/483442355.db2.gz PVPAZSGGTBFYAT-UHFFFAOYSA-N -1 1 282.365 1.351 20 0 CDADMM CC1N=NC(C(=O)Nc2ccc(NC(N)=O)cc2)=C1[O-] ZINC000676688885 483561386 /nfs/dbraw/zinc/56/13/86/483561386.db2.gz UHFKGADUVHHTBV-UHFFFAOYSA-N -1 1 275.268 1.167 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2cc(CC(C)C)[nH]n2)c1[O-] ZINC000676697746 483563586 /nfs/dbraw/zinc/56/35/86/483563586.db2.gz RUIHAUIFUHBBRK-UHFFFAOYSA-N -1 1 263.301 1.598 20 0 CDADMM O=C([N-]c1n[nH]c(-c2ccccn2)n1)c1nccs1 ZINC000683539134 483573682 /nfs/dbraw/zinc/57/36/82/483573682.db2.gz WZUVMMACEASZKO-UHFFFAOYSA-N -1 1 272.293 1.576 20 0 CDADMM CCCC[C@@H](NC(=O)[C@H]1CCCCN1C)C(=O)[O-] ZINC000680362826 483596915 /nfs/dbraw/zinc/59/69/15/483596915.db2.gz QWVHVSQHBNFFGL-GHMZBOCLSA-N -1 1 256.346 1.230 20 0 CDADMM CCOC(=O)NC(=S)[N-]c1cccnc1C(=O)OC ZINC000138233532 1160683457 /nfs/dbraw/zinc/68/34/57/1160683457.db2.gz OHFYYVYGLZUNFD-UHFFFAOYSA-N -1 1 283.309 1.311 20 0 CDADMM CC(C)[C@@H](C)NC(=O)CS(=O)(=O)c1ccc([O-])cc1 ZINC000049489101 519791721 /nfs/dbraw/zinc/79/17/21/519791721.db2.gz KRRMUZAABCXVDO-SNVBAGLBSA-N -1 1 285.365 1.327 20 0 CDADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccoc2C)co1 ZINC000166500059 1160989388 /nfs/dbraw/zinc/98/93/88/1160989388.db2.gz FTHOZBLBNYULCS-UHFFFAOYSA-N -1 1 299.304 1.446 20 0 CDADMM CCc1cc(C(=O)[N-]c2nc3ccccn3n2)no1 ZINC001127441992 1161212137 /nfs/dbraw/zinc/21/21/37/1161212137.db2.gz ZBRIZEIRNNEMOC-UHFFFAOYSA-N -1 1 257.253 1.532 20 0 CDADMM Cc1nnc(N(C)C(=O)c2cnc(C3CC3)[n-]c2=O)s1 ZINC001650021113 1161539911 /nfs/dbraw/zinc/53/99/11/1161539911.db2.gz SFRQWPVEOBVAQA-UHFFFAOYSA-N -1 1 291.336 1.496 20 0 CDADMM COC(=O)c1nc2cc(-c3cncn3C)ccc2[n-]1 ZINC001243068520 1162069260 /nfs/dbraw/zinc/06/92/60/1162069260.db2.gz BPITXMYCMMRGFH-UHFFFAOYSA-N -1 1 256.265 1.750 20 0 CDADMM CC(C)CNC(=O)CN1CCC(CCC(=O)[O-])CC1 ZINC000050926114 519734418 /nfs/dbraw/zinc/73/44/18/519734418.db2.gz JBHFNHANCZFJKY-UHFFFAOYSA-N -1 1 270.373 1.335 20 0 CDADMM CCn1ccnc1CN1CCC[C@@H](CCC(=O)[O-])C1 ZINC000054743794 523533735 /nfs/dbraw/zinc/53/37/35/523533735.db2.gz PVQVYGIPZDCDLW-LBPRGKRZSA-N -1 1 265.357 1.980 20 0 CDADMM COCCN(CC(=O)[O-])Cc1ccc(-n2ccnc2)cc1 ZINC000049607639 523665179 /nfs/dbraw/zinc/66/51/79/523665179.db2.gz CUXNKAMYYKOALW-UHFFFAOYSA-N -1 1 289.335 1.405 20 0 CDADMM COC(=O)[C@H]([N-]S(=O)(=O)CCC(F)(F)F)C(C)C ZINC000340721685 523929132 /nfs/dbraw/zinc/92/91/32/523929132.db2.gz QBECDQINOXUXSA-SSDOTTSWSA-N -1 1 291.291 1.056 20 0 CDADMM CCc1cccc(C)c1NC(=O)CN[C@H](C(=O)[O-])C1CC1 ZINC000054522695 524063371 /nfs/dbraw/zinc/06/33/71/524063371.db2.gz GOTZUJRLOXHMBA-HNNXBMFYSA-N -1 1 290.363 1.949 20 0 CDADMM C[C@@H](C[S@@](C)=O)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000183182800 524872877 /nfs/dbraw/zinc/87/28/77/524872877.db2.gz TWSIGNRRSWNFBJ-BWKAKNAASA-N -1 1 297.348 1.010 20 0 CDADMM C[C@@H](c1ccccc1)N(C)C(=O)CN[C@H](C(=O)[O-])C1CC1 ZINC000054522790 526083643 /nfs/dbraw/zinc/08/36/43/526083643.db2.gz UULXLDZJNQJDLR-NHYWBVRUSA-N -1 1 290.363 1.659 20 0 CDADMM O=C(NCCC[C@@H]1CCCCO1)c1cncc([O-])c1 ZINC000184669450 526269614 /nfs/dbraw/zinc/26/96/14/526269614.db2.gz LBQIMXNMTRJPPX-ZDUSSCGKSA-N -1 1 264.325 1.866 20 0 CDADMM O=C(N[C@@H](CO)c1ccc(F)cc1)c1cncc([O-])c1 ZINC000340006114 526861055 /nfs/dbraw/zinc/86/10/55/526861055.db2.gz NUXUZXJVARFUTP-ZDUSSCGKSA-N -1 1 276.267 1.390 20 0 CDADMM O=C(N[C@@H]1C=C[C@H](CO)C1)c1c([O-])cccc1F ZINC000184737356 526875758 /nfs/dbraw/zinc/87/57/58/526875758.db2.gz RRKVVSSDKIALKU-DTWKUNHWSA-N -1 1 251.257 1.198 20 0 CDADMM Cc1cc(CNCCS(=O)(=O)C2CC2)ccc1C(=O)[O-] ZINC001600205856 1174407415 /nfs/dbraw/zinc/40/74/15/1174407415.db2.gz KRRLWNPZIJFEIK-UHFFFAOYSA-N -1 1 297.376 1.360 20 0 CDADMM O=C(Nc1ccncc1[O-])c1ccc(N2CCOCC2)cc1 ZINC000336908241 527453564 /nfs/dbraw/zinc/45/35/64/527453564.db2.gz ZXBLZBKMDOJKIM-UHFFFAOYSA-N -1 1 299.330 1.298 20 0 CDADMM CCc1ccnc(CNC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000436632736 536000274 /nfs/dbraw/zinc/00/02/74/536000274.db2.gz FSGUWCSQFXISKH-UHFFFAOYSA-N -1 1 284.315 1.849 20 0 CDADMM CCc1cc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)n[nH]1 ZINC000262270689 536115506 /nfs/dbraw/zinc/11/55/06/536115506.db2.gz XXNZYKMDKFXEHM-UHFFFAOYSA-N -1 1 299.330 1.869 20 0 CDADMM Cc1ccc([C@@H](N)C(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000230841603 538501319 /nfs/dbraw/zinc/50/13/19/538501319.db2.gz IDDPWJCSZXMNPX-CHWSQXEVSA-N -1 1 278.352 1.468 20 0 CDADMM CC[C@H]1CN(C)c2ccccc2CN1Cc1n[nH]c(=O)[n-]1 ZINC000092619071 538526053 /nfs/dbraw/zinc/52/60/53/538526053.db2.gz FGUODTWZHJQNBV-LBPRGKRZSA-N -1 1 287.367 1.329 20 0 CDADMM O=C(NCCc1ccc(CO)cc1)c1ncccc1[O-] ZINC000126998978 538572481 /nfs/dbraw/zinc/57/24/81/538572481.db2.gz SDUKKVACLFCHFY-UHFFFAOYSA-N -1 1 272.304 1.252 20 0 CDADMM Cc1nc([C@@H](C)NC(=O)C=Cc2cc(C(=O)[O-])co2)n[nH]1 ZINC001600792113 1174612368 /nfs/dbraw/zinc/61/23/68/1174612368.db2.gz KKRSWGRSOFEZOL-KGGZQZJCSA-N -1 1 290.279 1.295 20 0 CDADMM Cc1nnc(CCN(C)Cc2cc(C(=O)[O-])c(C)o2)o1 ZINC001600795107 1174614692 /nfs/dbraw/zinc/61/46/92/1174614692.db2.gz YUVOEIKUZIYDHF-UHFFFAOYSA-N -1 1 279.296 1.652 20 0 CDADMM Cc1oc(C(=O)[O-])cc1CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC001600828810 1174635024 /nfs/dbraw/zinc/63/50/24/1174635024.db2.gz GCYLATJDHWXYRR-XHVZSJERSA-N -1 1 292.335 1.372 20 0 CDADMM Cc1oc(CN(C)Cc2ccn(C)c(=O)c2)cc1C(=O)[O-] ZINC001600843590 1174637627 /nfs/dbraw/zinc/63/76/27/1174637627.db2.gz RWIRDLPXYURHRM-UHFFFAOYSA-N -1 1 290.319 1.617 20 0 CDADMM NC1(c2noc(-c3cc(C(=O)[O-])co3)n2)CCCC1 ZINC001601175737 1174772688 /nfs/dbraw/zinc/77/26/88/1174772688.db2.gz FFKNLAOUOTXTLK-UHFFFAOYSA-N -1 1 263.253 1.756 20 0 CDADMM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)C(C)(C)O ZINC000394011251 574446959 /nfs/dbraw/zinc/44/69/59/574446959.db2.gz CAQRKELXIGYLTA-ZETCQYMHSA-N -1 1 279.308 1.403 20 0 CDADMM COc1ccc(CC[N-]C(=O)C(F)(F)F)c(OC)c1 ZINC000725892581 574458004 /nfs/dbraw/zinc/45/80/04/574458004.db2.gz FPXHPSOJPOPZGV-UHFFFAOYSA-N -1 1 277.242 1.925 20 0 CDADMM O=C([O-])[C@@H]1CCCN(Cc2cc(F)cc3c2OCOC3)C1 ZINC000738538445 574672261 /nfs/dbraw/zinc/67/22/61/574672261.db2.gz QZOXQFQKGZXQCF-SNVBAGLBSA-N -1 1 295.310 1.989 20 0 CDADMM O=C([O-])CCCCN1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000738571407 574711113 /nfs/dbraw/zinc/71/11/13/574711113.db2.gz YIFSYBAKCYBHRN-CYBMUJFWSA-N -1 1 294.351 1.615 20 0 CDADMM O=C([O-])[C@@H](c1ccsc1)N1CCN2C(=O)CC[C@H]2C1 ZINC001601698267 1174951032 /nfs/dbraw/zinc/95/10/32/1174951032.db2.gz VQDVGOBSGONGEE-CMPLNLGQSA-N -1 1 280.349 1.180 20 0 CDADMM CC(=CC(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1ccccc1 ZINC000732092065 575079144 /nfs/dbraw/zinc/07/91/44/575079144.db2.gz VSEIXHUYMGOZNV-FUWURINLSA-N -1 1 299.334 1.203 20 0 CDADMM O=C(CNC1(C(=O)[O-])CCCCC1)NCC1CCC1 ZINC000739307569 576204681 /nfs/dbraw/zinc/20/46/81/576204681.db2.gz BCHVIEUTTVAQRY-UHFFFAOYSA-N -1 1 268.357 1.280 20 0 CDADMM CCN(C)[C@H](C(=O)[N-]OCC(F)F)c1ccccc1 ZINC000760161159 576462663 /nfs/dbraw/zinc/46/26/63/576462663.db2.gz VBLRNIQVQKKVCE-LBPRGKRZSA-N -1 1 272.295 1.992 20 0 CDADMM COC[C@@H](CCO)NC(=O)c1c([O-])cccc1Cl ZINC000760173334 576463450 /nfs/dbraw/zinc/46/34/50/576463450.db2.gz RAHJLQGAZSGAIY-MRVPVSSYSA-N -1 1 273.716 1.173 20 0 CDADMM Cc1cc(F)cc(NC(=O)CCn2cc[n-]c(=O)c2=O)c1 ZINC000770476731 575454199 /nfs/dbraw/zinc/45/41/99/575454199.db2.gz CWRKDUWSZOQHDQ-UHFFFAOYSA-N -1 1 291.282 1.013 20 0 CDADMM O=C([N-]N1CCCC1=O)c1cc(-c2cccs2)[nH]n1 ZINC000770548038 575465115 /nfs/dbraw/zinc/46/51/15/575465115.db2.gz ZLXDYVLZJGBUGG-UHFFFAOYSA-N -1 1 276.321 1.405 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](CO)CC1CC1 ZINC000770986395 575525293 /nfs/dbraw/zinc/52/52/93/575525293.db2.gz YUNZZPNTUDAQMX-NSHDSACASA-N -1 1 293.367 1.505 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](O)CN1Cc1ccc(C2CCC2)cc1 ZINC001601771831 1174998256 /nfs/dbraw/zinc/99/82/56/1174998256.db2.gz HIFAHMHDKKCELT-GJZGRUSLSA-N -1 1 275.348 1.974 20 0 CDADMM O=C(c1c([O-])cccc1Cl)N1CCn2ncnc2C1 ZINC000771626512 575598829 /nfs/dbraw/zinc/59/88/29/575598829.db2.gz VSRHPXZDHJOFLM-UHFFFAOYSA-N -1 1 278.699 1.293 20 0 CDADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccc(C2CC2)cc1 ZINC000771730141 575606147 /nfs/dbraw/zinc/60/61/47/575606147.db2.gz CKZGGPLIOGLGPZ-UHFFFAOYSA-N -1 1 299.330 1.443 20 0 CDADMM CC(C)(C)OC(=O)CN1CCCC[C@H]1CC(=O)[O-] ZINC000736261137 575606376 /nfs/dbraw/zinc/60/63/76/575606376.db2.gz ATFSXVFFBVLHEO-JTQLQIEISA-N -1 1 257.330 1.657 20 0 CDADMM C[C@H]1CSCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000736294528 575613207 /nfs/dbraw/zinc/61/32/07/575613207.db2.gz VIZQVYVVNCPETO-VIFPVBQESA-N -1 1 293.371 1.943 20 0 CDADMM CCC[C@@H](NC(=O)c1scnc1Cl)c1nn[n-]n1 ZINC000736435295 575660074 /nfs/dbraw/zinc/66/00/74/575660074.db2.gz CMDWNPOZGOZQEO-RXMQYKEDSA-N -1 1 286.748 1.581 20 0 CDADMM CC(C)[C@@H]1CC(=O)N(CN(C[C@@H](C)C(=O)[O-])C2CC2)C1 ZINC000736580121 575695911 /nfs/dbraw/zinc/69/59/11/575695911.db2.gz YIORNIVHICFQCB-VXGBXAGGSA-N -1 1 282.384 1.634 20 0 CDADMM COC(=O)c1cc(C)ccc1OS(=O)(=O)c1c[n-]cn1 ZINC000736632033 575706046 /nfs/dbraw/zinc/70/60/46/575706046.db2.gz ZMQSIQRCSIHDGH-UHFFFAOYSA-N -1 1 296.304 1.272 20 0 CDADMM CCc1ccc(CNc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000736690936 575723129 /nfs/dbraw/zinc/72/31/29/575723129.db2.gz NVRJZDGSNWMIBV-UHFFFAOYSA-N -1 1 269.312 1.764 20 0 CDADMM CCc1ccc(CNc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC000736690936 575723132 /nfs/dbraw/zinc/72/31/32/575723132.db2.gz NVRJZDGSNWMIBV-UHFFFAOYSA-N -1 1 269.312 1.764 20 0 CDADMM C[C@H](Sc1nc(-c2cccnc2)n[nH]1)C(=O)[O-] ZINC000736717087 575727441 /nfs/dbraw/zinc/72/74/41/575727441.db2.gz OCNVXALPFYRBFB-LURJTMIESA-N -1 1 250.283 1.432 20 0 CDADMM O=C(C[C@H](O)c1cccc(F)c1)[N-]OCC(F)(F)F ZINC000772811216 575755807 /nfs/dbraw/zinc/75/58/07/575755807.db2.gz NLFWQOWSDYQQJL-VIFPVBQESA-N -1 1 281.205 1.859 20 0 CDADMM O=C(CCNC(=O)c1ccco1)[N-]Oc1ccccc1 ZINC000773464407 575812888 /nfs/dbraw/zinc/81/28/88/575812888.db2.gz CXPHGRBWBSQZMY-UHFFFAOYSA-N -1 1 274.276 1.510 20 0 CDADMM CCN(CC)[C@@H](CNC(=O)CCNC(=O)[O-])c1ccco1 ZINC000737084609 575814828 /nfs/dbraw/zinc/81/48/28/575814828.db2.gz BKNLFZILFJFTBX-NSHDSACASA-N -1 1 297.355 1.436 20 0 CDADMM NC(=O)c1ccccc1NC(=O)c1ccc2[nH]c(=O)nc-2[nH]1 ZINC000773731581 575836229 /nfs/dbraw/zinc/83/62/29/575836229.db2.gz CGFFBFYCCPMWTI-UHFFFAOYSA-N -1 1 297.274 1.015 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc3n[n-]c(=S)n3c2)CCS1 ZINC000773930428 575844881 /nfs/dbraw/zinc/84/48/81/575844881.db2.gz XPVZOMKWXXUBAS-MRVPVSSYSA-N -1 1 294.405 1.596 20 0 CDADMM CCc1[nH]c(C(=O)Nc2nnc(C)[nH]2)c(C)c1C(=O)[O-] ZINC000737246903 575909918 /nfs/dbraw/zinc/90/99/18/575909918.db2.gz ZMVWNIOSTZWRNO-UHFFFAOYSA-N -1 1 277.284 1.263 20 0 CDADMM CCc1[nH]c(C(=O)Nc2nc(C)n[nH]2)c(C)c1C(=O)[O-] ZINC000737246903 575909921 /nfs/dbraw/zinc/90/99/21/575909921.db2.gz ZMVWNIOSTZWRNO-UHFFFAOYSA-N -1 1 277.284 1.263 20 0 CDADMM CN(CC1CCCCC1)C(=O)CNC(C)(C)C(=O)[O-] ZINC000737410422 575958492 /nfs/dbraw/zinc/95/84/92/575958492.db2.gz RLUCTSHYAAFDKW-UHFFFAOYSA-N -1 1 270.373 1.478 20 0 CDADMM COC(=O)CC1CCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000737590884 575998298 /nfs/dbraw/zinc/99/82/98/575998298.db2.gz JCHRHVGTKQPYGZ-UHFFFAOYSA-N -1 1 281.308 1.753 20 0 CDADMM Cn1[n-]c(COC(=O)c2ccc(F)cc2Cl)nc1=O ZINC000765390177 576015677 /nfs/dbraw/zinc/01/56/77/576015677.db2.gz JVTRQBBROFGLTK-UHFFFAOYSA-N -1 1 285.662 1.258 20 0 CDADMM C/C=C/C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000737854074 576017854 /nfs/dbraw/zinc/01/78/54/576017854.db2.gz KRLIALCAORQJDW-SNAWJCMRSA-N -1 1 260.297 1.244 20 0 CDADMM CCC[C@@H](C(=O)OCc1nc(=O)n(C)[n-]1)c1ccccc1 ZINC000765418756 576019840 /nfs/dbraw/zinc/01/98/40/576019840.db2.gz LISMTZVROSAADW-GFCCVEGCSA-N -1 1 289.335 1.736 20 0 CDADMM C[C@@H](C(=O)OCc1nc(=O)n(C)[n-]1)c1c(F)cccc1F ZINC000765494787 576030817 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CCc1nc(NC(=O)[C@@H](C(C)C)N(C)C)sc1C(=O)[O-] ZINC000833674327 605008381 /nfs/dbraw/zinc/00/83/81/605008381.db2.gz OYMPEUUTKINETH-SECBINFHSA-N -1 1 299.396 1.928 20 0 CDADMM CCN1C[C@@H](C)N(C(=O)CCCN(C)C(=O)[O-])C[C@H]1C ZINC000833659115 605133774 /nfs/dbraw/zinc/13/37/74/605133774.db2.gz XPEIDRVIYCBUEE-VXGBXAGGSA-N -1 1 285.388 1.318 20 0 CDADMM CCN1C[C@@H](C)N(C(=O)[C@@H](NC(=O)[O-])C(C)C)C[C@@H]1C ZINC000833655600 605173454 /nfs/dbraw/zinc/17/34/54/605173454.db2.gz FCRBXJFKNKWEDF-TUAOUCFPSA-N -1 1 285.388 1.220 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CN(CCO)Cc2cccnc2)O1 ZINC000833583286 605356306 /nfs/dbraw/zinc/35/63/06/605356306.db2.gz JDCBBHLRGJJASE-CYBMUJFWSA-N -1 1 292.335 1.023 20 0 CDADMM CC(C)N(CCO)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000833498659 605487498 /nfs/dbraw/zinc/48/74/98/605487498.db2.gz UMKSLGOOYQLDOG-UHFFFAOYSA-N -1 1 280.324 1.026 20 0 CDADMM C[C@]1(NC(=O)c2ccc(-c3nnn[n-]3)s2)CCCOC1 ZINC000824831554 608250148 /nfs/dbraw/zinc/25/01/48/608250148.db2.gz PJTRSKOQOGMIQI-LBPRGKRZSA-N -1 1 293.352 1.227 20 0 CDADMM C[C@]1(NC(=O)c2ccc(-c3nn[n-]n3)s2)CCCOC1 ZINC000824831554 608250150 /nfs/dbraw/zinc/25/01/50/608250150.db2.gz PJTRSKOQOGMIQI-LBPRGKRZSA-N -1 1 293.352 1.227 20 0 CDADMM C1=CC[C@@H](CNc2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001602750323 1175387711 /nfs/dbraw/zinc/38/77/11/1175387711.db2.gz VZDRRRYSPVPBIR-SECBINFHSA-N -1 1 257.301 1.425 20 0 CDADMM C1=CC[C@@H](CNc2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001602750323 1175387718 /nfs/dbraw/zinc/38/77/18/1175387718.db2.gz VZDRRRYSPVPBIR-SECBINFHSA-N -1 1 257.301 1.425 20 0 CDADMM COCCCCCN1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC000833724472 605683753 /nfs/dbraw/zinc/68/37/53/605683753.db2.gz DJNMKBUMRBGTKA-RYUDHWBXSA-N -1 1 287.356 1.141 20 0 CDADMM CC(C)C[C@@H](NC(=O)CN[C@H](C)c1cccnc1)C(=O)[O-] ZINC000833482391 605795717 /nfs/dbraw/zinc/79/57/17/605795717.db2.gz PRVMWDYQVRYVLU-DGCLKSJQSA-N -1 1 293.367 1.348 20 0 CDADMM CCN(CC)C(=O)CN1CCCCC[C@H]1C(=O)[O-] ZINC000080992370 605848900 /nfs/dbraw/zinc/84/89/00/605848900.db2.gz IECFPQBUHHTSIT-NSHDSACASA-N -1 1 256.346 1.184 20 0 CDADMM c1cc(CNc2c3ccccc3nnc2-c2nnn[n-]2)no1 ZINC000823797121 606165381 /nfs/dbraw/zinc/16/53/81/606165381.db2.gz KZPKYDMAIDGXLO-UHFFFAOYSA-N -1 1 294.278 1.410 20 0 CDADMM c1cc(CNc2c3ccccc3nnc2-c2nn[n-]n2)no1 ZINC000823797121 606165382 /nfs/dbraw/zinc/16/53/82/606165382.db2.gz KZPKYDMAIDGXLO-UHFFFAOYSA-N -1 1 294.278 1.410 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCCS1 ZINC000823294962 606293458 /nfs/dbraw/zinc/29/34/58/606293458.db2.gz ZMMQFQCVOSYKLG-SNVBAGLBSA-N -1 1 291.336 1.406 20 0 CDADMM CC(C)(C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819922564 606486921 /nfs/dbraw/zinc/48/69/21/606486921.db2.gz MFVANCADOCDMDN-UHFFFAOYSA-N -1 1 251.315 1.457 20 0 CDADMM CC(C)(C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819922564 606486923 /nfs/dbraw/zinc/48/69/23/606486923.db2.gz MFVANCADOCDMDN-UHFFFAOYSA-N -1 1 251.315 1.457 20 0 CDADMM C[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820717518 606446663 /nfs/dbraw/zinc/44/66/63/606446663.db2.gz RHHWYMQHMKLQHA-JGVFFNPUSA-N -1 1 277.353 1.799 20 0 CDADMM C[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820717518 606446664 /nfs/dbraw/zinc/44/66/64/606446664.db2.gz RHHWYMQHMKLQHA-JGVFFNPUSA-N -1 1 277.353 1.799 20 0 CDADMM CN(C[C@H]1CCCO1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821596892 606545710 /nfs/dbraw/zinc/54/57/10/606545710.db2.gz XUBHLNCFTFMWPF-MRVPVSSYSA-N -1 1 293.352 1.179 20 0 CDADMM CN(C[C@H]1CCCO1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821596892 606545712 /nfs/dbraw/zinc/54/57/12/606545712.db2.gz XUBHLNCFTFMWPF-MRVPVSSYSA-N -1 1 293.352 1.179 20 0 CDADMM O=C(Nc1ccccc1O)c1ccc(-c2nnn[n-]2)s1 ZINC000823373239 606590938 /nfs/dbraw/zinc/59/09/38/606590938.db2.gz UGMZZNIDEIBTQW-UHFFFAOYSA-N -1 1 287.304 1.886 20 0 CDADMM O=C(Nc1ccccc1O)c1ccc(-c2nn[n-]n2)s1 ZINC000823373239 606590940 /nfs/dbraw/zinc/59/09/40/606590940.db2.gz UGMZZNIDEIBTQW-UHFFFAOYSA-N -1 1 287.304 1.886 20 0 CDADMM CC(=CC(=O)n1ncc(-c2nn[n-]n2)c1N)C(C)(C)C ZINC000819764737 606827737 /nfs/dbraw/zinc/82/77/37/606827737.db2.gz KPJSKHZUVMDBOQ-FNORWQNLSA-N -1 1 275.316 1.278 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC2(CCC2)C1 ZINC000823483653 606958352 /nfs/dbraw/zinc/95/83/52/606958352.db2.gz KOUGSMZBHPFCFI-UHFFFAOYSA-N -1 1 289.364 1.944 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC2(CCC2)C1 ZINC000823483653 606958353 /nfs/dbraw/zinc/95/83/53/606958353.db2.gz KOUGSMZBHPFCFI-UHFFFAOYSA-N -1 1 289.364 1.944 20 0 CDADMM CCCn1cc(Nc2cccc(-c3nnn[n-]3)n2)cn1 ZINC000825363154 607900819 /nfs/dbraw/zinc/90/08/19/607900819.db2.gz VBLCLOBVAVJJIU-UHFFFAOYSA-N -1 1 270.300 1.612 20 0 CDADMM CCCn1cc(Nc2cccc(-c3nn[n-]n3)n2)cn1 ZINC000825363154 607900820 /nfs/dbraw/zinc/90/08/20/607900820.db2.gz VBLCLOBVAVJJIU-UHFFFAOYSA-N -1 1 270.300 1.612 20 0 CDADMM Cc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826291483 607987381 /nfs/dbraw/zinc/98/73/81/607987381.db2.gz IRRUVZQNDDUIIA-UHFFFAOYSA-N -1 1 253.269 1.709 20 0 CDADMM Cc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826291483 607987382 /nfs/dbraw/zinc/98/73/82/607987382.db2.gz IRRUVZQNDDUIIA-UHFFFAOYSA-N -1 1 253.269 1.709 20 0 CDADMM Cc1cccc(OCCn2ccnc2-c2nnn[n-]2)c1 ZINC000826299970 608013640 /nfs/dbraw/zinc/01/36/40/608013640.db2.gz CJJKOSXBXPHYJF-UHFFFAOYSA-N -1 1 270.296 1.451 20 0 CDADMM Cc1cccc(OCCn2ccnc2-c2nn[n-]n2)c1 ZINC000826299970 608013641 /nfs/dbraw/zinc/01/36/41/608013641.db2.gz CJJKOSXBXPHYJF-UHFFFAOYSA-N -1 1 270.296 1.451 20 0 CDADMM C[C@@H](O)C(C)(C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000824677049 608098618 /nfs/dbraw/zinc/09/86/18/608098618.db2.gz AFLIJANUGZWJAG-ZCFIWIBFSA-N -1 1 282.735 1.486 20 0 CDADMM C[C@@H](O)C(C)(C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000824677049 608098619 /nfs/dbraw/zinc/09/86/19/608098619.db2.gz AFLIJANUGZWJAG-ZCFIWIBFSA-N -1 1 282.735 1.486 20 0 CDADMM C[C@@H](Cc1ccco1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824458668 608396321 /nfs/dbraw/zinc/39/63/21/608396321.db2.gz WPBRUNSZYWQMCV-QMMMGPOBSA-N -1 1 271.284 1.293 20 0 CDADMM C[C@@H](Cc1ccco1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824458668 608396322 /nfs/dbraw/zinc/39/63/22/608396322.db2.gz WPBRUNSZYWQMCV-QMMMGPOBSA-N -1 1 271.284 1.293 20 0 CDADMM c1cc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)ccn1 ZINC000826514977 608399246 /nfs/dbraw/zinc/39/92/46/608399246.db2.gz JBMYTWCAHGYDGF-LBPRGKRZSA-N -1 1 294.322 1.393 20 0 CDADMM c1cc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)ccn1 ZINC000826514977 608399248 /nfs/dbraw/zinc/39/92/48/608399248.db2.gz JBMYTWCAHGYDGF-LBPRGKRZSA-N -1 1 294.322 1.393 20 0 CDADMM C[C@@H](c1ccccc1F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824773154 608401171 /nfs/dbraw/zinc/40/11/71/608401171.db2.gz YSYUHUREAYVDAX-VIFPVBQESA-N -1 1 299.313 1.993 20 0 CDADMM C[C@@H](c1ccccc1F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824773154 608401172 /nfs/dbraw/zinc/40/11/72/608401172.db2.gz YSYUHUREAYVDAX-VIFPVBQESA-N -1 1 299.313 1.993 20 0 CDADMM Fc1ccc2c(c1)[C@H](Nc1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000826376066 608415989 /nfs/dbraw/zinc/41/59/89/608415989.db2.gz NIFJEHUWUFVXFV-LLVKDONJSA-N -1 1 297.297 1.895 20 0 CDADMM Fc1ccc2c(c1)[C@H](Nc1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000826376066 608415991 /nfs/dbraw/zinc/41/59/91/608415991.db2.gz NIFJEHUWUFVXFV-LLVKDONJSA-N -1 1 297.297 1.895 20 0 CDADMM C[C@]1(c2ccccc2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824843185 608424079 /nfs/dbraw/zinc/42/40/79/608424079.db2.gz BIYRBFFZRMENKE-SWLSCSKDSA-N -1 1 293.334 1.799 20 0 CDADMM C[C@]1(c2ccccc2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824843185 608424081 /nfs/dbraw/zinc/42/40/81/608424081.db2.gz BIYRBFFZRMENKE-SWLSCSKDSA-N -1 1 293.334 1.799 20 0 CDADMM CCc1c[nH]c(Sc2ccc(-c3nnn[n-]3)nn2)n1 ZINC000825693815 608433167 /nfs/dbraw/zinc/43/31/67/608433167.db2.gz FUKSGPHRGBEIFP-UHFFFAOYSA-N -1 1 274.313 1.093 20 0 CDADMM CCc1c[nH]c(Sc2ccc(-c3nn[n-]n3)nn2)n1 ZINC000825693815 608433168 /nfs/dbraw/zinc/43/31/68/608433168.db2.gz FUKSGPHRGBEIFP-UHFFFAOYSA-N -1 1 274.313 1.093 20 0 CDADMM c1cnn(CCCCCn2ccnc2-c2nnn[n-]2)c1 ZINC000826526340 608891817 /nfs/dbraw/zinc/89/18/17/608891817.db2.gz UXDMCKXMNJTZOR-UHFFFAOYSA-N -1 1 272.316 1.130 20 0 CDADMM c1cnn(CCCCCn2ccnc2-c2nn[n-]n2)c1 ZINC000826526340 608891820 /nfs/dbraw/zinc/89/18/20/608891820.db2.gz UXDMCKXMNJTZOR-UHFFFAOYSA-N -1 1 272.316 1.130 20 0 CDADMM COc1ccccc1CCCn1cnc(-c2nn[n-]n2)n1 ZINC000826219918 609513095 /nfs/dbraw/zinc/51/30/95/609513095.db2.gz VXSOBYBNEHDDDJ-UHFFFAOYSA-N -1 1 285.311 1.100 20 0 CDADMM C[C@H]1OCC[C@]1(C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825014302 609604969 /nfs/dbraw/zinc/60/49/69/609604969.db2.gz VKYLKZMCKZUUOT-KRTXAFLBSA-N -1 1 293.352 1.226 20 0 CDADMM C[C@H]1OCC[C@]1(C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825014302 609604971 /nfs/dbraw/zinc/60/49/71/609604971.db2.gz VKYLKZMCKZUUOT-KRTXAFLBSA-N -1 1 293.352 1.226 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@H](O)[C@@H](F)C1 ZINC000890692767 617278670 /nfs/dbraw/zinc/27/86/70/617278670.db2.gz XCVVZNMAIZLEDL-ONGXEEELSA-N -1 1 257.236 1.076 20 0 CDADMM O=C(N[C@H]1COC[C@H]1C1CC1)c1cnc(C2CC2)[n-]c1=O ZINC000891035479 617354203 /nfs/dbraw/zinc/35/42/03/617354203.db2.gz UMCPGLCEBZSZMU-RYUDHWBXSA-N -1 1 289.335 1.214 20 0 CDADMM CC(=O)NC[C@H]1[C@@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC000945756324 613937419 /nfs/dbraw/zinc/93/74/19/613937419.db2.gz KLGVYQLQPLZBRR-JQWIXIFHSA-N -1 1 291.351 1.164 20 0 CDADMM CC(C)C(=O)N1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000982454582 614373095 /nfs/dbraw/zinc/37/30/95/614373095.db2.gz BJNNJHMAIRMOOH-NSHDSACASA-N -1 1 291.351 1.022 20 0 CDADMM Cc1cn(C)nc1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891612750 617503900 /nfs/dbraw/zinc/50/39/00/617503900.db2.gz BGMNQCGCGZJFTL-UHFFFAOYSA-N -1 1 287.323 1.355 20 0 CDADMM CC(C)C1(C(=O)Nc2n[n-]c(C(F)(F)F)n2)COC1 ZINC000892153070 617510512 /nfs/dbraw/zinc/51/05/12/617510512.db2.gz JGMRUOIPVZYSDA-UHFFFAOYSA-N -1 1 278.234 1.435 20 0 CDADMM COCc1nc(NC[C@@H](C)C[C@@H](C)O)cc(=O)[n-]1 ZINC000892645562 617557367 /nfs/dbraw/zinc/55/73/67/617557367.db2.gz OMCOGOBTSMCMNS-DTWKUNHWSA-N -1 1 255.318 1.148 20 0 CDADMM CC[C@@H](C)[C@H](NC(=O)CN1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000036100941 617694843 /nfs/dbraw/zinc/69/48/43/617694843.db2.gz JAOQXTWQSYWMPC-NMKXLXIOSA-N -1 1 284.400 1.865 20 0 CDADMM CC(C)C[C@H](NC(=O)CN1CCCC[C@H]1C)C(=O)[O-] ZINC000036100559 617694910 /nfs/dbraw/zinc/69/49/10/617694910.db2.gz RXICNUSHBWUBPH-NEPJUHHUSA-N -1 1 270.373 1.476 20 0 CDADMM O=C([O-])[C@@]1(NC(=O)c2cccc3nc[nH]c32)CCSC1 ZINC000909351896 617874190 /nfs/dbraw/zinc/87/41/90/617874190.db2.gz NACYWZGGGIGLHX-CYBMUJFWSA-N -1 1 291.332 1.253 20 0 CDADMM COCc1nc(NCc2scnc2C)cc(=O)[n-]1 ZINC000892334186 617887986 /nfs/dbraw/zinc/88/79/86/617887986.db2.gz REDPMYZXSQACNM-UHFFFAOYSA-N -1 1 266.326 1.706 20 0 CDADMM CC[C@@H](C(=O)N(C)c1nn[n-]n1)c1ccc(F)cc1 ZINC000892954887 617976802 /nfs/dbraw/zinc/97/68/02/617976802.db2.gz UPPBKKQWARFEGY-SNVBAGLBSA-N -1 1 263.276 1.495 20 0 CDADMM COCc1nc(N[C@H]2Cc3cccc(O)c3C2)cc(=O)[n-]1 ZINC000893487704 617984819 /nfs/dbraw/zinc/98/48/19/617984819.db2.gz LKZGUCMHCCBNQZ-JTQLQIEISA-N -1 1 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CDADMM CCO[C@@H](CC)C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000913437623 630480719 /nfs/dbraw/zinc/48/07/19/630480719.db2.gz HMLOVJDUTLYUOK-RYUDHWBXSA-N -1 1 289.339 1.220 20 0 CDADMM CCCCCC[C@H](C)C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913495481 630502189 /nfs/dbraw/zinc/50/21/89/630502189.db2.gz KVPVBXVDPXACFX-NWDGAFQWSA-N -1 1 295.387 1.706 20 0 CDADMM O=C(/C=C/C1CCCCC1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913496067 630502257 /nfs/dbraw/zinc/50/22/57/630502257.db2.gz RQTFAQJQBFRLSN-NNNHXZLVSA-N -1 1 291.355 1.236 20 0 CDADMM O=C([N-][C@@H](CO)Cc1cncs1)C(F)(F)C(F)F ZINC000913702006 630737901 /nfs/dbraw/zinc/73/79/01/630737901.db2.gz BLJBCEGCBIEBFC-RXMQYKEDSA-N -1 1 286.250 1.063 20 0 CDADMM C[C@@H]1CC/C(=C\C(=O)N2CCC(c3nn[n-]n3)CC2)C1 ZINC000913743941 630742755 /nfs/dbraw/zinc/74/27/55/630742755.db2.gz SMUCYQZWABKUGV-OYVNLZQHSA-N -1 1 275.356 1.652 20 0 CDADMM Cc1cccc(NC(=O)c2ccc(O)cc2[O-])c1C(N)=O ZINC000916472849 631998986 /nfs/dbraw/zinc/99/89/86/631998986.db2.gz WJDNLHURBFRKNW-UHFFFAOYSA-N -1 1 286.287 1.757 20 0 CDADMM CC(=O)OCCSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000916586229 632029763 /nfs/dbraw/zinc/02/97/63/632029763.db2.gz UWPJMQHNPACSTF-UHFFFAOYSA-N -1 1 298.364 1.719 20 0 CDADMM CC(=O)OCCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000916586229 632029768 /nfs/dbraw/zinc/02/97/68/632029768.db2.gz UWPJMQHNPACSTF-UHFFFAOYSA-N -1 1 298.364 1.719 20 0 CDADMM Cc1nc(SC[C@](C)(O)C(F)F)[n-]c(=O)c1C ZINC000917419246 632211184 /nfs/dbraw/zinc/21/11/84/632211184.db2.gz MRQKUOXTOUFTDN-JTQLQIEISA-N -1 1 264.297 1.907 20 0 CDADMM CCc1ccc([C@@H](C)C(=O)OCc2nn[n-]n2)cc1 ZINC000736685104 633079272 /nfs/dbraw/zinc/07/92/72/633079272.db2.gz FNFXVPBWHWTMQO-SECBINFHSA-N -1 1 260.297 1.609 20 0 CDADMM Cc1ccncc1Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001170216728 1162301955 /nfs/dbraw/zinc/30/19/55/1162301955.db2.gz NNFXYSFBTRMLFA-UHFFFAOYSA-N -1 1 258.241 1.163 20 0 CDADMM Nc1ccc2ccc(Nc3[n-]c(=O)nc4nc[nH]c43)nc2n1 ZINC001170227880 1162317382 /nfs/dbraw/zinc/31/73/82/1162317382.db2.gz WTSQZIQOWYBQOR-UHFFFAOYSA-N 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/nfs/dbraw/zinc/11/89/30/1163118930.db2.gz HKLAFXIACQYQDB-UHFFFAOYSA-N -1 1 250.258 1.725 20 0 CDADMM CCCc1ncc(CNCc2cccc(-c3nn[n-]n3)n2)o1 ZINC001604248194 1163133606 /nfs/dbraw/zinc/13/36/06/1163133606.db2.gz VTPJMVGCGOLBBR-UHFFFAOYSA-N -1 1 299.338 1.492 20 0 CDADMM CCN(CC(C)(C)O)c1cc(C)nc(-c2nnn[n-]2)c1 ZINC001604274042 1163139294 /nfs/dbraw/zinc/13/92/94/1163139294.db2.gz FVIMXZYHUOSYFP-UHFFFAOYSA-N -1 1 276.344 1.167 20 0 CDADMM CCN(CC(C)(C)O)c1cc(C)nc(-c2nn[n-]n2)c1 ZINC001604274042 1163139298 /nfs/dbraw/zinc/13/92/98/1163139298.db2.gz FVIMXZYHUOSYFP-UHFFFAOYSA-N -1 1 276.344 1.167 20 0 CDADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc[nH]c1=O ZINC000790063630 1162125449 /nfs/dbraw/zinc/12/54/49/1162125449.db2.gz PNYHVLHJKJENKV-UHFFFAOYSA-N -1 1 265.656 1.794 20 0 CDADMM CCOCCN(CC)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001604429394 1163184161 /nfs/dbraw/zinc/18/41/61/1163184161.db2.gz PHBZKCBEPVXKMQ-UHFFFAOYSA-N -1 1 295.368 1.427 20 0 CDADMM CCOCCN(CC)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001604429394 1163184166 /nfs/dbraw/zinc/18/41/66/1163184166.db2.gz PHBZKCBEPVXKMQ-UHFFFAOYSA-N -1 1 295.368 1.427 20 0 CDADMM CCSCCSc1ccc(-c2nnn[n-]2)nn1 ZINC001604480981 1163201813 /nfs/dbraw/zinc/20/18/13/1163201813.db2.gz IRLPZXVEQDUUHB-UHFFFAOYSA-N -1 1 268.371 1.502 20 0 CDADMM CCSCCSc1ccc(-c2nn[n-]n2)nn1 ZINC001604480981 1163201819 /nfs/dbraw/zinc/20/18/19/1163201819.db2.gz IRLPZXVEQDUUHB-UHFFFAOYSA-N -1 1 268.371 1.502 20 0 CDADMM CCc1cccnc1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001604536641 1163223621 /nfs/dbraw/zinc/22/36/21/1163223621.db2.gz KOHBCOHKZZFMSI-UHFFFAOYSA-N -1 1 295.306 1.471 20 0 CDADMM CCc1cccnc1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001604536641 1163223633 /nfs/dbraw/zinc/22/36/33/1163223633.db2.gz KOHBCOHKZZFMSI-UHFFFAOYSA-N -1 1 295.306 1.471 20 0 CDADMM CCc1nc(NC[C@H]2CCSC2)cc(-c2nnn[n-]2)n1 ZINC001604564227 1163231227 /nfs/dbraw/zinc/23/12/27/1163231227.db2.gz LWTHHUPHFKUTNY-MRVPVSSYSA-N -1 1 291.384 1.384 20 0 CDADMM CCc1nc(NC[C@H]2CCSC2)cc(-c2nn[n-]n2)n1 ZINC001604564227 1163231232 /nfs/dbraw/zinc/23/12/32/1163231232.db2.gz LWTHHUPHFKUTNY-MRVPVSSYSA-N -1 1 291.384 1.384 20 0 CDADMM CN(CCC(F)(F)F)Cc1nc(-c2nnn[n-]2)cs1 ZINC001604737517 1163302775 /nfs/dbraw/zinc/30/27/75/1163302775.db2.gz DEINFYQCMDAPAF-UHFFFAOYSA-N -1 1 292.290 1.707 20 0 CDADMM CN(CCC(F)(F)F)Cc1nc(-c2nn[n-]n2)cs1 ZINC001604737517 1163302783 /nfs/dbraw/zinc/30/27/83/1163302783.db2.gz DEINFYQCMDAPAF-UHFFFAOYSA-N -1 1 292.290 1.707 20 0 CDADMM C[C@@H]1CN(C(=O)CC(C)(F)F)CCN1CCC(=O)[O-] ZINC001604772217 1163318227 /nfs/dbraw/zinc/31/82/27/1163318227.db2.gz WFDCSXHBWRFPQK-SECBINFHSA-N -1 1 278.299 1.039 20 0 CDADMM CN(OCC(F)(F)F)c1cccc(-c2nnn[n-]2)n1 ZINC001604827010 1163343369 /nfs/dbraw/zinc/34/33/69/1163343369.db2.gz SGALBSPPIHKQFL-UHFFFAOYSA-N -1 1 274.206 1.192 20 0 CDADMM CC[C@H](C)[C@H](N[C@H](c1nnc[nH]1)c1ccccc1)C(=O)[O-] ZINC001604939840 1163388650 /nfs/dbraw/zinc/38/86/50/1163388650.db2.gz FNIYQRJTDJHCOE-DRZSPHRISA-N -1 1 288.351 1.983 20 0 CDADMM CO[C@@H](Cn1cc(-c2nn[n-]n2)ccc1=O)C1CCCC1 ZINC001605012383 1163416034 /nfs/dbraw/zinc/41/60/34/1163416034.db2.gz MUANCPHXRZDURC-LBPRGKRZSA-N -1 1 289.339 1.234 20 0 CDADMM COCCC(C)(C)Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001605079015 1163443454 /nfs/dbraw/zinc/44/34/54/1163443454.db2.gz NBYASWVDLACSNY-UHFFFAOYSA-N -1 1 277.332 1.192 20 0 CDADMM COCCC(C)(C)Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001605079015 1163443460 /nfs/dbraw/zinc/44/34/60/1163443460.db2.gz NBYASWVDLACSNY-UHFFFAOYSA-N -1 1 277.332 1.192 20 0 CDADMM CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cnc(C(=O)[O-])cn2)C1 ZINC001605135070 1163462491 /nfs/dbraw/zinc/46/24/91/1163462491.db2.gz HDEQIGUSSHKFAW-CQSZACIVSA-N -1 1 293.323 1.252 20 0 CDADMM CCCC[C@@H](C)N(C)Cc1cn(CC(=O)[O-])nn1 ZINC001605236991 1163498287 /nfs/dbraw/zinc/49/82/87/1163498287.db2.gz SYJHDYNPADACCA-SNVBAGLBSA-N -1 1 254.334 1.373 20 0 CDADMM COc1ccc(CNc2nc(C)cc(-c3nnn[n-]3)n2)cc1 ZINC001605285754 1163513553 /nfs/dbraw/zinc/51/35/53/1163513553.db2.gz ODDYFNACSAXORF-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1ccc(CNc2nc(C)cc(-c3nn[n-]n3)n2)cc1 ZINC001605285754 1163513561 /nfs/dbraw/zinc/51/35/61/1163513561.db2.gz ODDYFNACSAXORF-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM Cc1nn(C)cc1-c1cnc(-c2nnn[n-]2)c(C)c1 ZINC001605504690 1163590016 /nfs/dbraw/zinc/59/00/16/1163590016.db2.gz ICPUFAWUDDYKST-UHFFFAOYSA-N -1 1 255.285 1.279 20 0 CDADMM Cc1nn(C)cc1-c1cnc(-c2nn[n-]n2)c(C)c1 ZINC001605504690 1163590022 /nfs/dbraw/zinc/59/00/22/1163590022.db2.gz ICPUFAWUDDYKST-UHFFFAOYSA-N -1 1 255.285 1.279 20 0 CDADMM CCOC(=O)C1CCN(Cc2cc(C(=O)[O-])n(C)c2)CC1 ZINC001605526996 1163596068 /nfs/dbraw/zinc/59/60/68/1163596068.db2.gz QDBWOLHSYKORAS-UHFFFAOYSA-N -1 1 294.351 1.498 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CC2=CCCOC2)c1 ZINC001605557229 1163607918 /nfs/dbraw/zinc/60/79/18/1163607918.db2.gz NNZXGZRTNBZFMP-UHFFFAOYSA-N -1 1 286.339 1.353 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CC2=CCCOC2)c1 ZINC001605557229 1163607922 /nfs/dbraw/zinc/60/79/22/1163607922.db2.gz NNZXGZRTNBZFMP-UHFFFAOYSA-N -1 1 286.339 1.353 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(C3CC3)CC2)n1 ZINC001605559710 1163609187 /nfs/dbraw/zinc/60/91/87/1163609187.db2.gz HOGAXAQFSRXPAY-UHFFFAOYSA-N -1 1 285.355 1.592 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(C3CC3)CC2)n1 ZINC001605559710 1163609189 /nfs/dbraw/zinc/60/91/89/1163609189.db2.gz HOGAXAQFSRXPAY-UHFFFAOYSA-N -1 1 285.355 1.592 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCc3ccc(F)cc32)n1 ZINC001605566337 1163613387 /nfs/dbraw/zinc/61/33/87/1163613387.db2.gz WXZAEGMSACOOOZ-UHFFFAOYSA-N -1 1 297.297 1.798 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCc3ccc(F)cc32)n1 ZINC001605566337 1163613390 /nfs/dbraw/zinc/61/33/90/1163613390.db2.gz WXZAEGMSACOOOZ-UHFFFAOYSA-N -1 1 297.297 1.798 20 0 CDADMM Cc1cc(C)nc(Cn2cccc(-c3nn[n-]n3)c2=O)c1 ZINC001605651606 1163634429 /nfs/dbraw/zinc/63/44/29/1163634429.db2.gz UHPXEZFZOGHJGO-UHFFFAOYSA-N -1 1 282.307 1.089 20 0 CDADMM Cc1cc(N2CC(C)(C)OC[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001605689622 1163642705 /nfs/dbraw/zinc/64/27/05/1163642705.db2.gz UOIRMQZRXCMPDO-JTQLQIEISA-N -1 1 288.355 1.574 20 0 CDADMM Cc1cc(N2CC(C)(C)OC[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001605689622 1163642708 /nfs/dbraw/zinc/64/27/08/1163642708.db2.gz UOIRMQZRXCMPDO-JTQLQIEISA-N -1 1 288.355 1.574 20 0 CDADMM Cc1cc(N2CCC[C@H](CO)CC2)cc(-c2nnn[n-]2)n1 ZINC001605695766 1163644982 /nfs/dbraw/zinc/64/49/82/1163644982.db2.gz RIFWYRXPCFBUNC-NSHDSACASA-N -1 1 288.355 1.169 20 0 CDADMM Cc1cc(N2CCC[C@H](CO)CC2)cc(-c2nn[n-]n2)n1 ZINC001605695766 1163644988 /nfs/dbraw/zinc/64/49/88/1163644988.db2.gz RIFWYRXPCFBUNC-NSHDSACASA-N -1 1 288.355 1.169 20 0 CDADMM Cc1cc(NC(=O)c2cccc(-c3nnn[n-]3)n2)ccc1F ZINC001605716682 1163648465 /nfs/dbraw/zinc/64/84/65/1163648465.db2.gz PVJWTLQYLNCBKD-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1cc(NC(=O)c2cccc(-c3nn[n-]n3)n2)ccc1F ZINC001605716682 1163648468 /nfs/dbraw/zinc/64/84/68/1163648468.db2.gz PVJWTLQYLNCBKD-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1cc(NCC(C)(C)C(C)(C)O)cc(-c2nnn[n-]2)n1 ZINC001605724068 1163652295 /nfs/dbraw/zinc/65/22/95/1163652295.db2.gz RXDZSQGKYCZIIX-UHFFFAOYSA-N -1 1 290.371 1.779 20 0 CDADMM Cc1cc(NCC(C)(C)C(C)(C)O)cc(-c2nn[n-]n2)n1 ZINC001605724068 1163652300 /nfs/dbraw/zinc/65/23/00/1163652300.db2.gz RXDZSQGKYCZIIX-UHFFFAOYSA-N -1 1 290.371 1.779 20 0 CDADMM Cc1cc(NCc2cccc(F)n2)cc(-c2nnn[n-]2)n1 ZINC001605740222 1163657912 /nfs/dbraw/zinc/65/79/12/1163657912.db2.gz NNDNDQHHDUTONU-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1cc(NCc2cccc(F)n2)cc(-c2nn[n-]n2)n1 ZINC001605740222 1163657919 /nfs/dbraw/zinc/65/79/19/1163657919.db2.gz NNDNDQHHDUTONU-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1ccc(N[C@H]2C[C@H](O)C23CCC3)c(-c2nnn[n-]2)n1 ZINC001605872333 1163699720 /nfs/dbraw/zinc/69/97/20/1163699720.db2.gz VVDJIDHNCMZACP-QWRGUYRKSA-N -1 1 286.339 1.286 20 0 CDADMM Cc1ccc(N[C@H]2C[C@H](O)C23CCC3)c(-c2nn[n-]n2)n1 ZINC001605872333 1163699723 /nfs/dbraw/zinc/69/97/23/1163699723.db2.gz VVDJIDHNCMZACP-QWRGUYRKSA-N -1 1 286.339 1.286 20 0 CDADMM Cc1ccc(NC2CCC(C)(O)CC2)nc1-c1nnn[n-]1 ZINC001605871191 1163700482 /nfs/dbraw/zinc/70/04/82/1163700482.db2.gz BZICWYOWQFPOJQ-UHFFFAOYSA-N -1 1 288.355 1.676 20 0 CDADMM Cc1ccc(NC2CCC(C)(O)CC2)nc1-c1nn[n-]n1 ZINC001605871191 1163700488 /nfs/dbraw/zinc/70/04/88/1163700488.db2.gz BZICWYOWQFPOJQ-UHFFFAOYSA-N -1 1 288.355 1.676 20 0 CDADMM CCc1noc([C@H](C)N[C@@H]2CCC[C@H]2C(=O)[O-])n1 ZINC001605873743 1163702747 /nfs/dbraw/zinc/70/27/47/1163702747.db2.gz MBXHBTXAVRADTN-DJLDLDEBSA-N -1 1 253.302 1.536 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(Cc2ccnc(Cl)c2)c1C ZINC001606021140 1163748497 /nfs/dbraw/zinc/74/84/97/1163748497.db2.gz KMYSYCUONMBRLW-UHFFFAOYSA-N -1 1 289.730 1.777 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2ccnc(Cl)c2)c1C ZINC001606021140 1163748503 /nfs/dbraw/zinc/74/85/03/1163748503.db2.gz KMYSYCUONMBRLW-UHFFFAOYSA-N -1 1 289.730 1.777 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCc3cccc(F)c32)n1 ZINC001606021370 1163748871 /nfs/dbraw/zinc/74/88/71/1163748871.db2.gz UGDJFDMUEAIWMN-UHFFFAOYSA-N -1 1 297.297 1.798 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCc3cccc(F)c32)n1 ZINC001606021370 1163748874 /nfs/dbraw/zinc/74/88/74/1163748874.db2.gz UGDJFDMUEAIWMN-UHFFFAOYSA-N -1 1 297.297 1.798 20 0 CDADMM Cc1nc(N[C@@H](C)C2CCOCC2)cc(-c2nnn[n-]2)n1 ZINC001606059204 1163759194 /nfs/dbraw/zinc/75/91/94/1163759194.db2.gz GLZKZKSJYDCCRV-QMMMGPOBSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1nc(N[C@@H](C)C2CCOCC2)cc(-c2nn[n-]n2)n1 ZINC001606059204 1163759198 /nfs/dbraw/zinc/75/91/98/1163759198.db2.gz GLZKZKSJYDCCRV-QMMMGPOBSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1nc(N[C@H](C)c2cccc(O)c2)cc(-c2nnn[n-]2)n1 ZINC001606078177 1163766702 /nfs/dbraw/zinc/76/67/02/1163766702.db2.gz SBEKSXPIUTXSOS-MRVPVSSYSA-N -1 1 297.322 1.844 20 0 CDADMM Cc1nc(N[C@H](C)c2cccc(O)c2)cc(-c2nn[n-]n2)n1 ZINC001606078177 1163766707 /nfs/dbraw/zinc/76/67/07/1163766707.db2.gz SBEKSXPIUTXSOS-MRVPVSSYSA-N -1 1 297.322 1.844 20 0 CDADMM CN(Cc1ccccn1)C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001606170164 1163795883 /nfs/dbraw/zinc/79/58/83/1163795883.db2.gz VZWXHFAQJNTSHB-UWVGGRQHSA-N -1 1 256.252 1.479 20 0 CDADMM CN1C[C@H](NC(=O)c2ccc(/C=C\C(=O)[O-])o2)C(C)(C)C1 ZINC001606202222 1163806052 /nfs/dbraw/zinc/80/60/52/1163806052.db2.gz GDHDDNGUAQGFMF-HWPRWLFBSA-N -1 1 292.335 1.447 20 0 CDADMM FC1(F)CCC[C@@H]1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001606300569 1163845418 /nfs/dbraw/zinc/84/54/18/1163845418.db2.gz WPMVBYZIGIUETA-SSDOTTSWSA-N -1 1 281.270 1.504 20 0 CDADMM FC1(F)CCC[C@@H]1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001606300569 1163845426 /nfs/dbraw/zinc/84/54/26/1163845426.db2.gz WPMVBYZIGIUETA-SSDOTTSWSA-N -1 1 281.270 1.504 20 0 CDADMM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1CCc1ccccc1 ZINC001606377735 1163882464 /nfs/dbraw/zinc/88/24/64/1163882464.db2.gz WAOPDIIQRNQSMK-UONOGXRCSA-N -1 1 291.347 1.567 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)O[C@@H]1C=CCCC1 ZINC001606596650 1163936059 /nfs/dbraw/zinc/93/60/59/1163936059.db2.gz SEIADOPUFKIZIQ-LLVKDONJSA-N -1 1 285.307 1.456 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)O[C@@H]1C=CCCC1 ZINC001606596650 1163936066 /nfs/dbraw/zinc/93/60/66/1163936066.db2.gz SEIADOPUFKIZIQ-LLVKDONJSA-N -1 1 285.307 1.456 20 0 CDADMM O=C(N[C@H]1CCCC1(F)F)c1ccc(-c2nnn[n-]2)o1 ZINC001606667227 1163954733 /nfs/dbraw/zinc/95/47/33/1163954733.db2.gz KEJIJZOQJWADCH-QMMMGPOBSA-N -1 1 283.238 1.377 20 0 CDADMM O=C(N[C@H]1CCCC1(F)F)c1ccc(-c2nn[n-]n2)o1 ZINC001606667227 1163954734 /nfs/dbraw/zinc/95/47/34/1163954734.db2.gz KEJIJZOQJWADCH-QMMMGPOBSA-N -1 1 283.238 1.377 20 0 CDADMM CO[C@@]1(C(F)(F)F)CCN(C/C(C)=C/C(=O)[O-])C1 ZINC001606714947 1163970489 /nfs/dbraw/zinc/97/04/89/1163970489.db2.gz QCCULIGVTSAUOH-YVFTVSHDSA-N -1 1 267.247 1.671 20 0 CDADMM O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1cccc(-c2nnn[n-]2)n1 ZINC001606726513 1163973073 /nfs/dbraw/zinc/97/30/73/1163973073.db2.gz FQMSFMYOVFEGSI-GARJFASQSA-N -1 1 298.350 1.428 20 0 CDADMM O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1cccc(-c2nn[n-]n2)n1 ZINC001606726513 1163973077 /nfs/dbraw/zinc/97/30/77/1163973077.db2.gz FQMSFMYOVFEGSI-GARJFASQSA-N -1 1 298.350 1.428 20 0 CDADMM O=C(NCCCC(F)F)c1cccc(-c2nnn[n-]2)n1 ZINC001606763722 1163987801 /nfs/dbraw/zinc/98/78/01/1163987801.db2.gz KECXZBCKZUPETN-UHFFFAOYSA-N -1 1 282.254 1.037 20 0 CDADMM O=C(NCCCC(F)F)c1cccc(-c2nn[n-]n2)n1 ZINC001606763722 1163987806 /nfs/dbraw/zinc/98/78/06/1163987806.db2.gz KECXZBCKZUPETN-UHFFFAOYSA-N -1 1 282.254 1.037 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cccc2cc[nH]c21 ZINC001606893586 1164025032 /nfs/dbraw/zinc/02/50/32/1164025032.db2.gz WFGLCJNTSKAGCM-UHFFFAOYSA-N -1 1 294.278 1.323 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cccc2cc[nH]c21 ZINC001606893586 1164025041 /nfs/dbraw/zinc/02/50/41/1164025041.db2.gz WFGLCJNTSKAGCM-UHFFFAOYSA-N -1 1 294.278 1.323 20 0 CDADMM O=C(Nc1ccc(Cl)cn1)c1coc(-c2nnn[n-]2)c1 ZINC001606920934 1164031125 /nfs/dbraw/zinc/03/11/25/1164031125.db2.gz LGLOAAVMSZLTFE-UHFFFAOYSA-N -1 1 290.670 1.760 20 0 CDADMM O=C(Nc1ccc(Cl)cn1)c1coc(-c2nn[n-]n2)c1 ZINC001606920934 1164031131 /nfs/dbraw/zinc/03/11/31/1164031131.db2.gz LGLOAAVMSZLTFE-UHFFFAOYSA-N -1 1 290.670 1.760 20 0 CDADMM O=C(Nc1ccc2c(c1)COC2)c1coc(-c2nnn[n-]2)c1 ZINC001606929211 1164032508 /nfs/dbraw/zinc/03/25/08/1164032508.db2.gz RXGUWXRKWXHZJQ-UHFFFAOYSA-N -1 1 297.274 1.742 20 0 CDADMM O=C(Nc1ccc2c(c1)COC2)c1coc(-c2nn[n-]n2)c1 ZINC001606929211 1164032514 /nfs/dbraw/zinc/03/25/14/1164032514.db2.gz RXGUWXRKWXHZJQ-UHFFFAOYSA-N -1 1 297.274 1.742 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@H]1C=CCCC1 ZINC001606943703 1164033741 /nfs/dbraw/zinc/03/37/41/1164033741.db2.gz FDICNSRHQSCDMX-VIFPVBQESA-N -1 1 285.311 1.492 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@H]1C=CCCC1 ZINC001606943703 1164033748 /nfs/dbraw/zinc/03/37/48/1164033748.db2.gz FDICNSRHQSCDMX-VIFPVBQESA-N -1 1 285.311 1.492 20 0 CDADMM O=C(Nc1cccc(O)c1F)c1coc(-c2nnn[n-]2)c1 ZINC001606938956 1164033834 /nfs/dbraw/zinc/03/38/34/1164033834.db2.gz MXDGZWWTKLMAJN-UHFFFAOYSA-N -1 1 289.226 1.557 20 0 CDADMM O=C(Nc1cccc(O)c1F)c1coc(-c2nn[n-]n2)c1 ZINC001606938956 1164033838 /nfs/dbraw/zinc/03/38/38/1164033838.db2.gz MXDGZWWTKLMAJN-UHFFFAOYSA-N -1 1 289.226 1.557 20 0 CDADMM O=C(OC[C@@H]1CCSC1)c1ccc(-c2nn[n-]n2)o1 ZINC001606967625 1164042583 /nfs/dbraw/zinc/04/25/83/1164042583.db2.gz NODUHAOZAXEFFA-ZETCQYMHSA-N -1 1 280.309 1.370 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)C12CC(C1)C2 ZINC001606979300 1164047396 /nfs/dbraw/zinc/04/73/96/1164047396.db2.gz SIPGTFOWHJIPGJ-UHFFFAOYSA-N -1 1 276.321 1.772 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC12CCCC2 ZINC001607022418 1164062108 /nfs/dbraw/zinc/06/21/08/1164062108.db2.gz STRCTEANFBJBTA-UHFFFAOYSA-N -1 1 284.323 1.420 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC12CCCC2 ZINC001607022418 1164062114 /nfs/dbraw/zinc/06/21/14/1164062114.db2.gz STRCTEANFBJBTA-UHFFFAOYSA-N -1 1 284.323 1.420 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CC[C@H]3CSC[C@H]3C2)c1 ZINC001607116738 1164096603 /nfs/dbraw/zinc/09/66/03/1164096603.db2.gz TYBWMILNWPHURR-VHSXEESVSA-N -1 1 288.380 1.451 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CC[C@H]3CSC[C@H]3C2)c1 ZINC001607116738 1164096608 /nfs/dbraw/zinc/09/66/08/1164096608.db2.gz TYBWMILNWPHURR-VHSXEESVSA-N -1 1 288.380 1.451 20 0 CDADMM c1cc(N2CC[C@H](C3CCC3)C2)nc(-c2nn[n-]n2)n1 ZINC001607119863 1164103269 /nfs/dbraw/zinc/10/32/69/1164103269.db2.gz KMGXZNLGGLARJE-JTQLQIEISA-N -1 1 271.328 1.283 20 0 CDADMM c1c2ccccc2[nH]c1CNc1cncc(-c2nnn[n-]2)n1 ZINC001607131299 1164109266 /nfs/dbraw/zinc/10/92/66/1164109266.db2.gz XSPSTBLMEODUTJ-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1c2ccccc2[nH]c1CNc1cncc(-c2nn[n-]n2)n1 ZINC001607131299 1164109269 /nfs/dbraw/zinc/10/92/69/1164109269.db2.gz XSPSTBLMEODUTJ-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCC[C@@H]2CCSC2)n1 ZINC001607134131 1164109609 /nfs/dbraw/zinc/10/96/09/1164109609.db2.gz WQZVWUSALMPZIM-MRVPVSSYSA-N -1 1 277.357 1.212 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCC[C@@H]2CCSC2)n1 ZINC001607134131 1164109618 /nfs/dbraw/zinc/10/96/18/1164109618.db2.gz WQZVWUSALMPZIM-MRVPVSSYSA-N -1 1 277.357 1.212 20 0 CDADMM c1ccc(CC2CN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001607129121 1164110482 /nfs/dbraw/zinc/11/04/82/1164110482.db2.gz ZRTXGKVPXGLKLK-UHFFFAOYSA-N -1 1 293.334 1.336 20 0 CDADMM c1ccc(CC2CN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001607129121 1164110488 /nfs/dbraw/zinc/11/04/88/1164110488.db2.gz ZRTXGKVPXGLKLK-UHFFFAOYSA-N -1 1 293.334 1.336 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCC[C@H]2CCCCO2)c1 ZINC001607133499 1164113279 /nfs/dbraw/zinc/11/32/79/1164113279.db2.gz IPZIGNUJXFICRH-SNVBAGLBSA-N -1 1 274.328 1.633 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCC[C@H]2CCCCO2)c1 ZINC001607133499 1164113282 /nfs/dbraw/zinc/11/32/82/1164113282.db2.gz IPZIGNUJXFICRH-SNVBAGLBSA-N -1 1 274.328 1.633 20 0 CDADMM c1cnc(N2CC[C@@H](C3CCC3)C2)c(-c2nnn[n-]2)n1 ZINC001607134260 1164114793 /nfs/dbraw/zinc/11/47/93/1164114793.db2.gz FATOMAYALMFCMZ-SNVBAGLBSA-N -1 1 271.328 1.283 20 0 CDADMM c1cnc(N2CC[C@@H](C3CCC3)C2)c(-c2nn[n-]n2)n1 ZINC001607134260 1164114794 /nfs/dbraw/zinc/11/47/94/1164114794.db2.gz FATOMAYALMFCMZ-SNVBAGLBSA-N -1 1 271.328 1.283 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001607136749 1164116468 /nfs/dbraw/zinc/11/64/68/1164116468.db2.gz RPHPHEDFLHTJLX-IVZWLZJFSA-N -1 1 271.328 1.505 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001607136749 1164116471 /nfs/dbraw/zinc/11/64/71/1164116471.db2.gz RPHPHEDFLHTJLX-IVZWLZJFSA-N -1 1 271.328 1.505 20 0 CDADMM c1ncc(N2CC[C@H](C3CCC3)C2)nc1-c1nnn[n-]1 ZINC001607138214 1164118846 /nfs/dbraw/zinc/11/88/46/1164118846.db2.gz DDZFTXQLCFVKMV-JTQLQIEISA-N -1 1 271.328 1.283 20 0 CDADMM c1ncc(N2CC[C@H](C3CCC3)C2)nc1-c1nn[n-]n1 ZINC001607138214 1164118849 /nfs/dbraw/zinc/11/88/49/1164118849.db2.gz DDZFTXQLCFVKMV-JTQLQIEISA-N -1 1 271.328 1.283 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NCC1(C2CC2)CC1 ZINC001607138839 1164120643 /nfs/dbraw/zinc/12/06/43/1164120643.db2.gz LPHJQQCLXRFBCL-UHFFFAOYSA-N -1 1 257.301 1.259 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NCC1(C2CC2)CC1 ZINC001607138839 1164120647 /nfs/dbraw/zinc/12/06/47/1164120647.db2.gz LPHJQQCLXRFBCL-UHFFFAOYSA-N -1 1 257.301 1.259 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NC2C[C@H]3CC[C@@H](C2)S3)n1 ZINC001607138950 1164120809 /nfs/dbraw/zinc/12/08/09/1164120809.db2.gz PJXJCXLAGSLSCI-CBLAIPOGSA-N -1 1 289.368 1.495 20 0 CDADMM Cc1cc(CNCc2ncccc2O)oc1C(=O)[O-] ZINC001607650069 1164259345 /nfs/dbraw/zinc/25/93/45/1164259345.db2.gz SKULIKIOQBIUKU-UHFFFAOYSA-N -1 1 262.265 1.677 20 0 CDADMM Cc1ccccc1[C@H](N)C(=O)NCc1ccoc1C(=O)[O-] ZINC001607879059 1164319898 /nfs/dbraw/zinc/31/98/98/1164319898.db2.gz QXWWZEWJVMPNNN-LBPRGKRZSA-N -1 1 288.303 1.602 20 0 CDADMM NC(=O)[C@H]1CCCN1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001608239267 1164462334 /nfs/dbraw/zinc/46/23/34/1164462334.db2.gz FLWFUUWEHNNLCF-CYBMUJFWSA-N -1 1 299.330 1.383 20 0 CDADMM Nc1ccc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])nn1 ZINC001608273164 1164476422 /nfs/dbraw/zinc/47/64/22/1164476422.db2.gz USAFYAWDDIMVDR-ZDUSSCGKSA-N -1 1 284.319 1.070 20 0 CDADMM Nc1nc2c(c(NC[C@@H](CC3CC3)C(=O)[O-])n1)CCCC2 ZINC001608276470 1164477807 /nfs/dbraw/zinc/47/78/07/1164477807.db2.gz AAGNJPORYPZCTG-SNVBAGLBSA-N -1 1 290.367 1.850 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)c1cc(F)cc(F)c1O ZINC001608460032 1164521361 /nfs/dbraw/zinc/52/13/61/1164521361.db2.gz MNPJZAPJUQFBHY-IYSWYEEDSA-N -1 1 271.219 1.121 20 0 CDADMM O=C([O-])CC1CC(NC(=O)c2c[nH]c(C3CC3)n2)C1 ZINC001608692091 1164606120 /nfs/dbraw/zinc/60/61/20/1164606120.db2.gz LOPWRLMUMRZXCI-UHFFFAOYSA-N -1 1 263.297 1.270 20 0 CDADMM O=C([O-])CC1CC(NC(=O)c2cccc(F)c2O)C1 ZINC001608692556 1164606240 /nfs/dbraw/zinc/60/62/40/1164606240.db2.gz NVYKCTRZKBMSNC-UHFFFAOYSA-N -1 1 267.256 1.514 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(CN3C(=O)C[C@@H]3c3ccccc3)C[C@@H]21 ZINC001608816741 1164648207 /nfs/dbraw/zinc/64/82/07/1164648207.db2.gz CNBXJZAFQWFLAK-COMQUAJESA-N -1 1 286.331 1.180 20 0 CDADMM O=C([O-])c1cnc(CN2CCCC[C@@]23CCCOC3)cn1 ZINC001608971453 1164699315 /nfs/dbraw/zinc/69/93/15/1164699315.db2.gz ISISPELJIDLTQD-HNNXBMFYSA-N -1 1 291.351 1.710 20 0 CDADMM CC(C)(C(=O)OCc1ccnc(-c2nnn[n-]2)c1)C(F)F ZINC001609073221 1164757517 /nfs/dbraw/zinc/75/75/17/1164757517.db2.gz DCYVKKPBXIKAOQ-UHFFFAOYSA-N -1 1 297.265 1.596 20 0 CDADMM CC(C)(C(=O)OCc1ccnc(-c2nn[n-]n2)c1)C(F)F ZINC001609073221 1164757523 /nfs/dbraw/zinc/75/75/23/1164757523.db2.gz DCYVKKPBXIKAOQ-UHFFFAOYSA-N -1 1 297.265 1.596 20 0 CDADMM CC(C)[C@H]1C[C@H](Nc2cccnc2-c2nnn[n-]2)CCO1 ZINC001609091918 1164767625 /nfs/dbraw/zinc/76/76/25/1164767625.db2.gz XDHKPWZCNGMGEU-ZYHUDNBSSA-N -1 1 288.355 1.877 20 0 CDADMM CC(C)[C@H]1C[C@H](Nc2cccnc2-c2nn[n-]n2)CCO1 ZINC001609091918 1164767634 /nfs/dbraw/zinc/76/76/34/1164767634.db2.gz XDHKPWZCNGMGEU-ZYHUDNBSSA-N -1 1 288.355 1.877 20 0 CDADMM CC[C@H](C)[C@H](O)CNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001609185127 1164825489 /nfs/dbraw/zinc/82/54/89/1164825489.db2.gz BDICAFIMHGXVLI-WCBMZHEXSA-N -1 1 276.344 1.389 20 0 CDADMM CC[C@H](C)[C@H](O)CNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001609185127 1164825493 /nfs/dbraw/zinc/82/54/93/1164825493.db2.gz BDICAFIMHGXVLI-WCBMZHEXSA-N -1 1 276.344 1.389 20 0 CDADMM CC[C@@H](CC(C)C)C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001609188416 1164829790 /nfs/dbraw/zinc/82/97/90/1164829790.db2.gz MVGXMLGDJVMGHX-VIFPVBQESA-N -1 1 291.359 1.909 20 0 CDADMM CCCN(CC(F)F)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609212944 1164852155 /nfs/dbraw/zinc/85/21/55/1164852155.db2.gz VOGLPDDBOPDQAV-UHFFFAOYSA-N -1 1 283.286 1.447 20 0 CDADMM CCCN(CC(F)F)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609212944 1164852159 /nfs/dbraw/zinc/85/21/59/1164852159.db2.gz VOGLPDDBOPDQAV-UHFFFAOYSA-N -1 1 283.286 1.447 20 0 CDADMM CCOc1cccc(CNc2n[nH]c(C)c2-c2nnn[n-]2)c1 ZINC001609246150 1164865171 /nfs/dbraw/zinc/86/51/71/1164865171.db2.gz IRISDUIKLKWNSJ-UHFFFAOYSA-N -1 1 299.338 1.909 20 0 CDADMM CCOc1cccc(CNc2n[nH]c(C)c2-c2nn[n-]n2)c1 ZINC001609246150 1164865179 /nfs/dbraw/zinc/86/51/79/1164865179.db2.gz IRISDUIKLKWNSJ-UHFFFAOYSA-N -1 1 299.338 1.909 20 0 CDADMM CCc1nc(CNc2snc(C)c2-c2nn[n-]n2)co1 ZINC001609255056 1164867760 /nfs/dbraw/zinc/86/77/60/1164867760.db2.gz ULZVALMQGXEURG-UHFFFAOYSA-N -1 1 291.340 1.794 20 0 CDADMM CN(C)c1cccnc1CNc1cccc(-c2nnn[n-]2)n1 ZINC001609270290 1164873085 /nfs/dbraw/zinc/87/30/85/1164873085.db2.gz MJJRQKHCRVNNCL-UHFFFAOYSA-N -1 1 296.338 1.335 20 0 CDADMM CN(C)c1cccnc1CNc1cccc(-c2nn[n-]n2)n1 ZINC001609270290 1164873090 /nfs/dbraw/zinc/87/30/90/1164873090.db2.gz MJJRQKHCRVNNCL-UHFFFAOYSA-N -1 1 296.338 1.335 20 0 CDADMM COC[C@@H](C)CNc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001609316789 1164897870 /nfs/dbraw/zinc/89/78/70/1164897870.db2.gz OCUFLFDIUQBIDQ-QMMMGPOBSA-N -1 1 262.317 1.265 20 0 CDADMM COC[C@@H](C)CNc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001609316789 1164897876 /nfs/dbraw/zinc/89/78/76/1164897876.db2.gz OCUFLFDIUQBIDQ-QMMMGPOBSA-N -1 1 262.317 1.265 20 0 CDADMM COCCCCC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001609322899 1164900611 /nfs/dbraw/zinc/90/06/11/1164900611.db2.gz QDIBCNFCHOXALG-UHFFFAOYSA-N -1 1 296.356 1.387 20 0 CDADMM COCCCCC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001609322899 1164900620 /nfs/dbraw/zinc/90/06/20/1164900620.db2.gz QDIBCNFCHOXALG-UHFFFAOYSA-N -1 1 296.356 1.387 20 0 CDADMM COCCSCc1nc(-c2nnn[n-]2)cs1 ZINC001609330108 1164905225 /nfs/dbraw/zinc/90/52/25/1164905225.db2.gz WUWWQJGXSSHNDD-UHFFFAOYSA-N -1 1 257.344 1.203 20 0 CDADMM COCCSCc1nc(-c2nn[n-]n2)cs1 ZINC001609330108 1164905230 /nfs/dbraw/zinc/90/52/30/1164905230.db2.gz WUWWQJGXSSHNDD-UHFFFAOYSA-N -1 1 257.344 1.203 20 0 CDADMM C[C@H](NCc1nc(-c2nnn[n-]2)cs1)C(F)(F)F ZINC001609375760 1164916494 /nfs/dbraw/zinc/91/64/94/1164916494.db2.gz RYXHLGITGDVRPU-BYPYZUCNSA-N -1 1 278.263 1.364 20 0 CDADMM C[C@H](NCc1nc(-c2nn[n-]n2)cs1)C(F)(F)F ZINC001609375760 1164916500 /nfs/dbraw/zinc/91/65/00/1164916500.db2.gz RYXHLGITGDVRPU-BYPYZUCNSA-N -1 1 278.263 1.364 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)CC(F)(F)F)n1 ZINC001609392040 1164925978 /nfs/dbraw/zinc/92/59/78/1164925978.db2.gz DYUBHTFCIUBNEE-ZCFIWIBFSA-N -1 1 287.249 1.718 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)CC(F)(F)F)n1 ZINC001609392040 1164925982 /nfs/dbraw/zinc/92/59/82/1164925982.db2.gz DYUBHTFCIUBNEE-ZCFIWIBFSA-N -1 1 287.249 1.718 20 0 CDADMM Cc1ccc(CCNc2nc(C)cc(-c3nnn[n-]3)n2)nc1 ZINC001609422901 1164939275 /nfs/dbraw/zinc/93/92/75/1164939275.db2.gz FOYDQQXRJHSXLQ-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1ccc(CCNc2nc(C)cc(-c3nn[n-]n3)n2)nc1 ZINC001609422901 1164939282 /nfs/dbraw/zinc/93/92/82/1164939282.db2.gz FOYDQQXRJHSXLQ-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1cccc(CNc2nc(C)cc(-c3nnn[n-]3)n2)n1 ZINC001609431421 1164942754 /nfs/dbraw/zinc/94/27/54/1164942754.db2.gz FXCGWOBHDFTJHG-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1cccc(CNc2nc(C)cc(-c3nn[n-]n3)n2)n1 ZINC001609431421 1164942760 /nfs/dbraw/zinc/94/27/60/1164942760.db2.gz FXCGWOBHDFTJHG-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1ccccc1CN(C)c1cc(-c2nnn[n-]2)ncn1 ZINC001609436452 1164944839 /nfs/dbraw/zinc/94/48/39/1164944839.db2.gz QTHTTWUUYUQPNE-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1ccccc1CN(C)c1cc(-c2nn[n-]n2)ncn1 ZINC001609436452 1164944845 /nfs/dbraw/zinc/94/48/45/1164944845.db2.gz QTHTTWUUYUQPNE-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCc1ccncc1 ZINC001609467479 1164963889 /nfs/dbraw/zinc/96/38/89/1164963889.db2.gz HYXWLEIGBZLAMU-UHFFFAOYSA-N -1 1 298.306 1.136 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCc1ccncc1 ZINC001609467479 1164963897 /nfs/dbraw/zinc/96/38/97/1164963897.db2.gz HYXWLEIGBZLAMU-UHFFFAOYSA-N -1 1 298.306 1.136 20 0 CDADMM OC1(CNc2ncncc2-c2nn[n-]n2)CCCCCC1 ZINC001609607862 1165000227 /nfs/dbraw/zinc/00/02/27/1165000227.db2.gz QHDLWEUNCJBZRP-UHFFFAOYSA-N -1 1 289.343 1.154 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC[C@@H]1CC2CCC1CC2 ZINC001609613198 1165006577 /nfs/dbraw/zinc/00/65/77/1165006577.db2.gz RAWBVWQVIPAWCD-ILDUYXDCSA-N -1 1 285.355 1.895 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC[C@@H]1CC2CCC1CC2 ZINC001609613198 1165006582 /nfs/dbraw/zinc/00/65/82/1165006582.db2.gz RAWBVWQVIPAWCD-ILDUYXDCSA-N -1 1 285.355 1.895 20 0 CDADMM c1ccc(OCCCNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001609617563 1165012088 /nfs/dbraw/zinc/01/20/88/1165012088.db2.gz CHQUECSHKLJZAL-UHFFFAOYSA-N -1 1 297.322 1.538 20 0 CDADMM c1ccc(OCCCNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001609617563 1165012093 /nfs/dbraw/zinc/01/20/93/1165012093.db2.gz CHQUECSHKLJZAL-UHFFFAOYSA-N -1 1 297.322 1.538 20 0 CDADMM c1ccc2c(c1)CN(c1cc(-c3nnn[n-]3)ncn1)CCN2 ZINC001609618955 1165015601 /nfs/dbraw/zinc/01/56/01/1165015601.db2.gz ZVEWSSYJBXRCTG-UHFFFAOYSA-N -1 1 294.322 1.089 20 0 CDADMM c1ccc2c(c1)CN(c1cc(-c3nn[n-]n3)ncn1)CCN2 ZINC001609618955 1165015603 /nfs/dbraw/zinc/01/56/03/1165015603.db2.gz ZVEWSSYJBXRCTG-UHFFFAOYSA-N -1 1 294.322 1.089 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N2CCC[C@@H](C3CC3)C2)c1 ZINC001609619439 1165015611 /nfs/dbraw/zinc/01/56/11/1165015611.db2.gz RSTDZBYLIGOUSX-LLVKDONJSA-N -1 1 270.340 1.888 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N2CCC[C@@H](C3CC3)C2)c1 ZINC001609619439 1165015615 /nfs/dbraw/zinc/01/56/15/1165015615.db2.gz RSTDZBYLIGOUSX-LLVKDONJSA-N -1 1 270.340 1.888 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1Sc1nc2c([nH]1)CCC2 ZINC001609621055 1165017537 /nfs/dbraw/zinc/01/75/37/1165017537.db2.gz OQPOSROSSMGIAO-UHFFFAOYSA-N -1 1 286.324 1.020 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1Sc1nc2c([nH]1)CCC2 ZINC001609621055 1165017540 /nfs/dbraw/zinc/01/75/40/1165017540.db2.gz OQPOSROSSMGIAO-UHFFFAOYSA-N -1 1 286.324 1.020 20 0 CDADMM C[C@H](NCc1ncccn1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001609777507 1165077983 /nfs/dbraw/zinc/07/79/83/1165077983.db2.gz BNPCSPBDTSBDNW-JSGCOSHPSA-N -1 1 285.347 1.898 20 0 CDADMM C[C@@H]1CC[N@@H+](CCC(C)(C)C(=O)[O-])C[C@@H]1C(=O)[O-] ZINC001609858959 1165118025 /nfs/dbraw/zinc/11/80/25/1165118025.db2.gz BXUJFOPEYCXGTB-ZJUUUORDSA-N -1 1 257.330 1.530 20 0 CDADMM CCc1nc(CN2CCCCC[C@@H]2C(=O)[O-])n[nH]1 ZINC001610071981 1165204543 /nfs/dbraw/zinc/20/45/43/1165204543.db2.gz VEBPBCFKPBOAAW-SECBINFHSA-N -1 1 252.318 1.196 20 0 CDADMM COCCN(Cc1occc1C(=O)[O-])[C@@H]1CCOC1 ZINC001610262168 1165278119 /nfs/dbraw/zinc/27/81/19/1165278119.db2.gz GLYSJDFVLAETFW-SNVBAGLBSA-N -1 1 269.297 1.215 20 0 CDADMM Cc1cc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)n[nH]1 ZINC001610460186 1165319975 /nfs/dbraw/zinc/31/99/75/1165319975.db2.gz MRSGCELKWLVTNR-UHFFFAOYSA-N -1 1 263.297 1.950 20 0 CDADMM Cc1cccc(CNC(=O)CN[C@@H](C(=O)[O-])C2CC2)c1 ZINC001610522076 1165338363 /nfs/dbraw/zinc/33/83/63/1165338363.db2.gz PMILRBJPUXLLHK-CQSZACIVSA-N -1 1 276.336 1.064 20 0 CDADMM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2ncc[nH]2)C1 ZINC001610729270 1165419050 /nfs/dbraw/zinc/41/90/50/1165419050.db2.gz CPOGESMSUIKODZ-HNNXBMFYSA-N -1 1 271.320 1.638 20 0 CDADMM O=C([O-])c1cn([C@H]2CCN(Cc3ccccc3F)C2)nn1 ZINC001610858146 1165464635 /nfs/dbraw/zinc/46/46/35/1165464635.db2.gz BPESKBZJQPRCIT-NSHDSACASA-N -1 1 290.298 1.562 20 0 CDADMM O=C([O-])c1coc(CN2CC[C@H](N3CCCC3=O)C2)c1 ZINC001610867128 1165468050 /nfs/dbraw/zinc/46/80/50/1165468050.db2.gz FYGKFLVJFKWOLX-NSHDSACASA-N -1 1 278.308 1.175 20 0 CDADMM O=C([O-])c1occc1C[N@H+]1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001610872526 1165470965 /nfs/dbraw/zinc/47/09/65/1165470965.db2.gz FAEGAXNRIMTCSB-VIFPVBQESA-N -1 1 292.295 1.181 20 0 CDADMM Cc1nc(CC(=O)Nc2c[n-][nH]c2=O)c(C)s1 ZINC001611380813 1165493059 /nfs/dbraw/zinc/49/30/59/1165493059.db2.gz YGZITESLOLEGHN-UHFFFAOYSA-N -1 1 252.299 1.370 20 0 CDADMM Cn1[n-]c(C(=O)NCc2nc3ccc(F)cc3[nH]2)cc1=O ZINC001618666776 1165639996 /nfs/dbraw/zinc/63/99/96/1165639996.db2.gz KJMWRDBWGSKPMT-UHFFFAOYSA-N -1 1 289.270 1.071 20 0 CDADMM Cn1cncc1CCNC(=O)c1cccc([O-])c1F ZINC001625048186 1165881936 /nfs/dbraw/zinc/88/19/36/1165881936.db2.gz VAZABWCRLNLGBV-UHFFFAOYSA-N -1 1 263.272 1.237 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cnn(-c2cccnc2)c1 ZINC001625355052 1165902180 /nfs/dbraw/zinc/90/21/80/1165902180.db2.gz QLCYTLCUOUZHBD-UHFFFAOYSA-N -1 1 284.279 1.257 20 0 CDADMM O=C(Nc1cccc2cnncc21)c1cncc([O-])c1 ZINC001632945600 1166386474 /nfs/dbraw/zinc/38/64/74/1166386474.db2.gz QHTVFYAXOWWHAD-UHFFFAOYSA-N -1 1 266.260 1.983 20 0 CDADMM Cc1ccc2c(c1)nc(CNC(=O)c1ccc([O-])cn1)n2C ZINC001633437587 1166420210 /nfs/dbraw/zinc/42/02/10/1166420210.db2.gz UNFXPAUJKOTCIC-UHFFFAOYSA-N -1 1 296.330 1.912 20 0 CDADMM COc1cncc(CNC(=O)c2[n-][nH]c3cc(=O)ccc2-3)c1 ZINC001155273647 1167112380 /nfs/dbraw/zinc/11/23/80/1167112380.db2.gz RNDDJCQSVRXINV-UHFFFAOYSA-N -1 1 298.302 1.602 20 0 CDADMM OCc1cncc([N-]c2nnc(Br)s2)c1 ZINC001211100507 1167363016 /nfs/dbraw/zinc/36/30/16/1167363016.db2.gz YTWLCZMVQNRZJD-UHFFFAOYSA-N -1 1 287.142 1.932 20 0 CDADMM CSCc1noc(CCC(=O)Nc2c(C)[n-][nH]c2=O)n1 ZINC001771796848 1167363386 /nfs/dbraw/zinc/36/33/86/1167363386.db2.gz JEGZZQLQTXJBFM-UHFFFAOYSA-N -1 1 297.340 1.241 20 0 CDADMM COC1CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)CC1 ZINC001646510901 1167889803 /nfs/dbraw/zinc/88/98/03/1167889803.db2.gz ZITIESIZAYPREE-UHFFFAOYSA-N -1 1 277.324 1.311 20 0 CDADMM COc1cc(OC)c(CNC[C@H](OC)C(=O)[O-])cc1F ZINC001647412696 1168662192 /nfs/dbraw/zinc/66/21/92/1168662192.db2.gz FXHFRGSSLLVCBJ-LBPRGKRZSA-N -1 1 287.287 1.032 20 0 CDADMM O=C(Nc1ccc(Br)c([O-])c1)[C@@H](O)C1CC1 ZINC001649895389 1169477121 /nfs/dbraw/zinc/47/71/21/1169477121.db2.gz BNGALLQYHNIJOI-JTQLQIEISA-N -1 1 286.125 1.864 20 0 CDADMM C[C@@H](N[C@H]1CCC[C@H]1C(=O)[O-])c1nc(C2CC2)no1 ZINC001573578507 1170697295 /nfs/dbraw/zinc/69/72/95/1170697295.db2.gz GQJOIFNUHUWEGP-QNSHHTMESA-N -1 1 265.313 1.851 20 0 CDADMM CC[C@@H]1C[C@H]1C(=O)N1CC[C@@H](c2[nH]ncc2C(=O)[O-])C1 ZINC001573814338 1170784078 /nfs/dbraw/zinc/78/40/78/1170784078.db2.gz JXZNIMKYCRNLFO-OPRDCNLKSA-N -1 1 277.324 1.470 20 0 CDADMM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc(Nc2ccncc2)cc1 ZINC001574393729 1170966644 /nfs/dbraw/zinc/96/66/44/1170966644.db2.gz XQLYHNTXIIXEHV-ZIAGYGMSSA-N -1 1 297.314 1.906 20 0 CDADMM Cn1cncc1C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001650609769 1171237697 /nfs/dbraw/zinc/23/76/97/1171237697.db2.gz ASSYLMRYNOIJKT-UHFFFAOYSA-N -1 1 286.335 1.541 20 0 CDADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc2[nH]ccc2n1 ZINC001650688866 1171251495 /nfs/dbraw/zinc/25/14/95/1171251495.db2.gz XQBAHPHKKOCRPZ-UHFFFAOYSA-N -1 1 296.212 1.952 20 0 CDADMM O=C(Nc1ccncc1[O-])c1cccc2c1OCC2 ZINC001650783444 1171255902 /nfs/dbraw/zinc/25/59/02/1171255902.db2.gz MKONLXCSNOXCHZ-UHFFFAOYSA-N -1 1 256.261 1.396 20 0 CDADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)c1ccon1 ZINC001578922655 1172048092 /nfs/dbraw/zinc/04/80/92/1172048092.db2.gz OVIPKRPOWLRTJG-UHFFFAOYSA-N -1 1 276.281 1.193 20 0 CDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)c1ccon1 ZINC001578922655 1172048106 /nfs/dbraw/zinc/04/81/06/1172048106.db2.gz OVIPKRPOWLRTJG-UHFFFAOYSA-N -1 1 276.281 1.193 20 0 CDADMM COc1cccc(Cn2ccc(-c3nn[n-]n3)cc2=O)c1 ZINC001580069876 1172340887 /nfs/dbraw/zinc/34/08/87/1172340887.db2.gz LFKZSFHKRHSLFD-UHFFFAOYSA-N -1 1 283.291 1.085 20 0 CDADMM C(=C\c1ccccc1)\CNc1cc(-c2nnn[n-]2)ncn1 ZINC001588380098 1173053158 /nfs/dbraw/zinc/05/31/58/1173053158.db2.gz TVYVWNMQBYEFMZ-DAXSKMNVSA-N -1 1 279.307 1.782 20 0 CDADMM C(=C\c1ccccc1)\CNc1cc(-c2nn[n-]n2)ncn1 ZINC001588380098 1173053165 /nfs/dbraw/zinc/05/31/65/1173053165.db2.gz TVYVWNMQBYEFMZ-DAXSKMNVSA-N -1 1 279.307 1.782 20 0 CDADMM CC(C)(C)C(=O)COC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001589074480 1173121349 /nfs/dbraw/zinc/12/13/49/1173121349.db2.gz FIRSOQPRFXZZCB-UHFFFAOYSA-N -1 1 294.336 1.700 20 0 CDADMM CC(C)(C)C(=O)COC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589074480 1173121352 /nfs/dbraw/zinc/12/13/52/1173121352.db2.gz FIRSOQPRFXZZCB-UHFFFAOYSA-N -1 1 294.336 1.700 20 0 CDADMM CC(C)(C)OC1CN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001589192853 1173128863 /nfs/dbraw/zinc/12/88/63/1173128863.db2.gz AKSGCTAWEWKQSU-UHFFFAOYSA-N -1 1 274.328 1.265 20 0 CDADMM CC(C)(C)OC1CN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001589192853 1173128868 /nfs/dbraw/zinc/12/88/68/1173128868.db2.gz AKSGCTAWEWKQSU-UHFFFAOYSA-N -1 1 274.328 1.265 20 0 CDADMM CC(C)(F)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001589312868 1173136856 /nfs/dbraw/zinc/13/68/56/1173136856.db2.gz WRJYCMZBMRFYOF-UHFFFAOYSA-N -1 1 251.269 1.207 20 0 CDADMM CC(C)(F)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001589312868 1173136860 /nfs/dbraw/zinc/13/68/60/1173136860.db2.gz WRJYCMZBMRFYOF-UHFFFAOYSA-N -1 1 251.269 1.207 20 0 CDADMM CC(C)(NC(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001589316821 1173138308 /nfs/dbraw/zinc/13/83/08/1173138308.db2.gz CSQKROCNRFSGGD-UHFFFAOYSA-N -1 1 287.327 1.572 20 0 CDADMM CC(C)(NC(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001589316821 1173138311 /nfs/dbraw/zinc/13/83/11/1173138311.db2.gz CSQKROCNRFSGGD-UHFFFAOYSA-N -1 1 287.327 1.572 20 0 CDADMM CC(C)=C(C)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001589346314 1173139031 /nfs/dbraw/zinc/13/90/31/1173139031.db2.gz OGHVAZWIVOZFRN-UHFFFAOYSA-N -1 1 272.312 1.234 20 0 CDADMM CC(C)=C(C)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001589346314 1173139033 /nfs/dbraw/zinc/13/90/33/1173139033.db2.gz OGHVAZWIVOZFRN-UHFFFAOYSA-N -1 1 272.312 1.234 20 0 CDADMM CC(C)[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1C(C)C ZINC001589516390 1173154079 /nfs/dbraw/zinc/15/40/79/1173154079.db2.gz AMKAAZMOLKSQMR-PWSUYJOCSA-N -1 1 287.371 1.774 20 0 CDADMM C[C@@H](CC(C)(C)C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589795404 1173183934 /nfs/dbraw/zinc/18/39/34/1173183934.db2.gz DREJDHPKMIWOJX-QMMMGPOBSA-N -1 1 261.333 1.893 20 0 CDADMM C[C@@H](CC(C)(C)C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589795404 1173183936 /nfs/dbraw/zinc/18/39/36/1173183936.db2.gz DREJDHPKMIWOJX-QMMMGPOBSA-N -1 1 261.333 1.893 20 0 CDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCC(F)CC1 ZINC001589986153 1173221998 /nfs/dbraw/zinc/22/19/98/1173221998.db2.gz YUGOJMOXINIEMQ-XNWIYYODSA-N -1 1 291.334 1.407 20 0 CDADMM CC1(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CC(F)(F)C1 ZINC001590070564 1173243996 /nfs/dbraw/zinc/24/39/96/1173243996.db2.gz CPEQMAVIJMFDOF-UHFFFAOYSA-N -1 1 294.265 1.636 20 0 CDADMM CC1(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CC(F)(F)C1 ZINC001590070564 1173243998 /nfs/dbraw/zinc/24/39/98/1173243998.db2.gz CPEQMAVIJMFDOF-UHFFFAOYSA-N -1 1 294.265 1.636 20 0 CDADMM CC1(C)C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001590083935 1173249855 /nfs/dbraw/zinc/24/98/55/1173249855.db2.gz POFIDHPQIBLIIR-MRVPVSSYSA-N -1 1 275.316 1.026 20 0 CDADMM CC1(C)C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001590083935 1173249865 /nfs/dbraw/zinc/24/98/65/1173249865.db2.gz POFIDHPQIBLIIR-MRVPVSSYSA-N -1 1 275.316 1.026 20 0 CDADMM CC1(C)CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)O1 ZINC001590095141 1173256284 /nfs/dbraw/zinc/25/62/84/1173256284.db2.gz XAHHXYLZTYKUSW-SECBINFHSA-N -1 1 289.343 1.416 20 0 CDADMM CC1(C)CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)O1 ZINC001590095141 1173256289 /nfs/dbraw/zinc/25/62/89/1173256289.db2.gz XAHHXYLZTYKUSW-SECBINFHSA-N -1 1 289.343 1.416 20 0 CDADMM CC1(C)CO[C@H](CNc2cccnc2-c2nnn[n-]2)C1 ZINC001590111107 1173259351 /nfs/dbraw/zinc/25/93/51/1173259351.db2.gz OACHPAROENABSN-VIFPVBQESA-N -1 1 274.328 1.489 20 0 CDADMM CC1(C)CO[C@H](CNc2cccnc2-c2nn[n-]n2)C1 ZINC001590111107 1173259359 /nfs/dbraw/zinc/25/93/59/1173259359.db2.gz OACHPAROENABSN-VIFPVBQESA-N -1 1 274.328 1.489 20 0 CDADMM C[C@@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)C[C@@H](C)S1 ZINC001590300460 1173340211 /nfs/dbraw/zinc/34/02/11/1173340211.db2.gz AOVQJMDKFHLVDJ-HTQZYQBOSA-N -1 1 293.352 1.426 20 0 CDADMM C[C@@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)C[C@@H](C)S1 ZINC001590300460 1173340219 /nfs/dbraw/zinc/34/02/19/1173340219.db2.gz AOVQJMDKFHLVDJ-HTQZYQBOSA-N -1 1 293.352 1.426 20 0 CDADMM C/C=C/C[C@@H](CO)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590351395 1173366598 /nfs/dbraw/zinc/36/65/98/1173366598.db2.gz DWYKOBRKGSUJCL-HPOULIHZSA-N -1 1 260.301 1.001 20 0 CDADMM C/C=C/C[C@@H](CO)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590351395 1173366605 /nfs/dbraw/zinc/36/66/05/1173366605.db2.gz DWYKOBRKGSUJCL-HPOULIHZSA-N -1 1 260.301 1.001 20 0 CDADMM CC[C@@H](C)CCNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590411337 1173399036 /nfs/dbraw/zinc/39/90/36/1173399036.db2.gz VJZHEPGSVXXCLI-SECBINFHSA-N -1 1 289.343 1.819 20 0 CDADMM CC[C@@H](C)CCNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590411337 1173399044 /nfs/dbraw/zinc/39/90/44/1173399044.db2.gz VJZHEPGSVXXCLI-SECBINFHSA-N -1 1 289.343 1.819 20 0 CDADMM CC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)o1)C(F)(F)F ZINC001590477462 1173428270 /nfs/dbraw/zinc/42/82/70/1173428270.db2.gz KYYHTWLVVSQQJQ-SSDOTTSWSA-N -1 1 290.201 1.957 20 0 CDADMM CC[C@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590513147 1173441937 /nfs/dbraw/zinc/44/19/37/1173441937.db2.gz UFUAQPUSKVMODQ-VHSXEESVSA-N -1 1 273.344 1.459 20 0 CDADMM CC[C@H]1CCCC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590513144 1173442912 /nfs/dbraw/zinc/44/29/12/1173442912.db2.gz UFUAQPUSKVMODQ-UWVGGRQHSA-N -1 1 273.344 1.459 20 0 CDADMM CC[C@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001590514243 1173444703 /nfs/dbraw/zinc/44/47/03/1173444703.db2.gz GQWPXJPXWBIJFM-VIFPVBQESA-N -1 1 287.327 1.526 20 0 CDADMM CC[C@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001590514243 1173444705 /nfs/dbraw/zinc/44/47/05/1173444705.db2.gz GQWPXJPXWBIJFM-VIFPVBQESA-N -1 1 287.327 1.526 20 0 CDADMM CCCc1cc(=O)n(-c2cccc(-c3nn[nH]n3)c2)[n-]1 ZINC001590566982 1173462979 /nfs/dbraw/zinc/46/29/79/1173462979.db2.gz HTYPWFGBPVIZHY-UHFFFAOYSA-N -1 1 270.296 1.760 20 0 CDADMM CCCCCNC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001590598957 1173471031 /nfs/dbraw/zinc/47/10/31/1173471031.db2.gz PGMIYBWZZQMMJS-UHFFFAOYSA-N -1 1 295.372 1.943 20 0 CDADMM CCCCCNC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590598957 1173471035 /nfs/dbraw/zinc/47/10/35/1173471035.db2.gz PGMIYBWZZQMMJS-UHFFFAOYSA-N -1 1 295.372 1.943 20 0 CDADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)o1)c1ncccc1C ZINC001590673718 1173486260 /nfs/dbraw/zinc/48/62/60/1173486260.db2.gz QEDQWAGHGIQIOP-UHFFFAOYSA-N -1 1 298.306 1.830 20 0 CDADMM CCOC1CCN(c2ccc(C)nc2-c2nnn[n-]2)CC1 ZINC001590795866 1173513972 /nfs/dbraw/zinc/51/39/72/1173513972.db2.gz DLFVSZAFRHRLSF-UHFFFAOYSA-N -1 1 288.355 1.575 20 0 CDADMM CCOC1CCN(c2ccc(C)nc2-c2nn[n-]n2)CC1 ZINC001590795866 1173513977 /nfs/dbraw/zinc/51/39/77/1173513977.db2.gz DLFVSZAFRHRLSF-UHFFFAOYSA-N -1 1 288.355 1.575 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H](C)[C@@H](C)[C@H]2C)n1 ZINC001590904881 1173539664 /nfs/dbraw/zinc/53/96/64/1173539664.db2.gz MPIWUNNTOSQFQY-IVZWLZJFSA-N -1 1 287.371 1.700 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H](C)[C@@H](C)[C@H]2C)n1 ZINC001590904881 1173539667 /nfs/dbraw/zinc/53/96/67/1173539667.db2.gz MPIWUNNTOSQFQY-IVZWLZJFSA-N -1 1 287.371 1.700 20 0 CDADMM CCn1nnc(C)c1C=Cc1nc(-c2nnn[n-]2)cs1 ZINC001590971528 1173553733 /nfs/dbraw/zinc/55/37/33/1173553733.db2.gz ZUFUUEQFRRWQBL-PLNGDYQASA-N -1 1 288.340 1.413 20 0 CDADMM CCn1nnc(C)c1C=Cc1nc(-c2nn[n-]n2)cs1 ZINC001590971528 1173553739 /nfs/dbraw/zinc/55/37/39/1173553739.db2.gz ZUFUUEQFRRWQBL-PLNGDYQASA-N -1 1 288.340 1.413 20 0 CDADMM CO[C@H](CNc1ccnc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001591330136 1173615152 /nfs/dbraw/zinc/61/51/52/1173615152.db2.gz VYGSPZAUBZMUBO-LLVKDONJSA-N -1 1 276.344 1.157 20 0 CDADMM CO[C@H](CNc1ccnc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001591330136 1173615156 /nfs/dbraw/zinc/61/51/56/1173615156.db2.gz VYGSPZAUBZMUBO-LLVKDONJSA-N -1 1 276.344 1.157 20 0 CDADMM CO[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)nc(C)n2)C1(C)C ZINC001591349523 1173622860 /nfs/dbraw/zinc/62/28/60/1173622860.db2.gz RWOKLYSUCBGETM-NXEZZACHSA-N -1 1 289.343 1.191 20 0 CDADMM CO[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)nc(C)n2)C1(C)C ZINC001591349523 1173622864 /nfs/dbraw/zinc/62/28/64/1173622864.db2.gz RWOKLYSUCBGETM-NXEZZACHSA-N -1 1 289.343 1.191 20 0 CDADMM COCC(C)(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001591369361 1173634606 /nfs/dbraw/zinc/63/46/06/1173634606.db2.gz MQLUGNUROYGBHF-UHFFFAOYSA-N -1 1 277.332 1.131 20 0 CDADMM COC[C@@H]1CCCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001591392344 1173641657 /nfs/dbraw/zinc/64/16/57/1173641657.db2.gz IJAOSGKRRYRYFF-NSHDSACASA-N -1 1 274.328 1.267 20 0 CDADMM COC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001591392344 1173641661 /nfs/dbraw/zinc/64/16/61/1173641661.db2.gz IJAOSGKRRYRYFF-NSHDSACASA-N -1 1 274.328 1.267 20 0 CDADMM CO[C@@H]1CCCC[C@H]1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591467681 1173656236 /nfs/dbraw/zinc/65/62/36/1173656236.db2.gz RRZNIJYTLBEPNM-NXEZZACHSA-N -1 1 291.311 1.147 20 0 CDADMM CO[C@@H]1CCCC[C@H]1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591467681 1173656242 /nfs/dbraw/zinc/65/62/42/1173656242.db2.gz RRZNIJYTLBEPNM-NXEZZACHSA-N -1 1 291.311 1.147 20 0 CDADMM CO[C@H]1C[C@@H](N(C)c2ccc(C)c(-c3nnn[n-]3)n2)C1 ZINC001591473893 1173658051 /nfs/dbraw/zinc/65/80/51/1173658051.db2.gz CKFBJWNYDXDWRR-AOOOYVTPSA-N -1 1 274.328 1.184 20 0 CDADMM CO[C@H]1C[C@@H](N(C)c2ccc(C)c(-c3nn[n-]n3)n2)C1 ZINC001591473893 1173658053 /nfs/dbraw/zinc/65/80/53/1173658053.db2.gz CKFBJWNYDXDWRR-AOOOYVTPSA-N -1 1 274.328 1.184 20 0 CDADMM COc1ccc(Oc2snc(C)c2-c2nnn[n-]2)cn1 ZINC001591620917 1173676348 /nfs/dbraw/zinc/67/63/48/1173676348.db2.gz BOBNKNCNSCNBJJ-UHFFFAOYSA-N -1 1 290.308 1.828 20 0 CDADMM COc1ccc(Oc2snc(C)c2-c2nn[n-]n2)cn1 ZINC001591620917 1173676352 /nfs/dbraw/zinc/67/63/52/1173676352.db2.gz BOBNKNCNSCNBJJ-UHFFFAOYSA-N -1 1 290.308 1.828 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(F)(F)C[C@@H]2C)n1 ZINC001591886190 1173737991 /nfs/dbraw/zinc/73/79/91/1173737991.db2.gz JDZANPCDIWNZSN-QMMMGPOBSA-N -1 1 295.297 1.589 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(F)(F)C[C@@H]2C)n1 ZINC001591886190 1173737993 /nfs/dbraw/zinc/73/79/93/1173737993.db2.gz JDZANPCDIWNZSN-QMMMGPOBSA-N -1 1 295.297 1.589 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](C3CC3)C2)c1 ZINC001591885862 1173739670 /nfs/dbraw/zinc/73/96/70/1173739670.db2.gz YZGCRRDTPUXGGX-NSHDSACASA-N -1 1 270.340 1.806 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](C3CC3)C2)c1 ZINC001591885862 1173739676 /nfs/dbraw/zinc/73/96/76/1173739676.db2.gz YZGCRRDTPUXGGX-NSHDSACASA-N -1 1 270.340 1.806 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCCc2ccc(F)cc2)n1 ZINC001591899287 1173743619 /nfs/dbraw/zinc/74/36/19/1173743619.db2.gz DNYNICPHZRZUDG-UHFFFAOYSA-N -1 1 299.313 1.759 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCCc2ccc(F)cc2)n1 ZINC001591899287 1173743622 /nfs/dbraw/zinc/74/36/22/1173743622.db2.gz DNYNICPHZRZUDG-UHFFFAOYSA-N -1 1 299.313 1.759 20 0 CDADMM Cc1cc(N2[C@H](C)CC[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001591999314 1173769675 /nfs/dbraw/zinc/76/96/75/1173769675.db2.gz NGNFCIFQUHJCLB-AOOOYVTPSA-N -1 1 258.329 1.947 20 0 CDADMM Cc1cc(N2[C@H](C)CC[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001591999314 1173769680 /nfs/dbraw/zinc/76/96/80/1173769680.db2.gz NGNFCIFQUHJCLB-AOOOYVTPSA-N -1 1 258.329 1.947 20 0 CDADMM Cc1cc(N[C@@H](C)c2ccccn2)cc(-c2nnn[n-]2)n1 ZINC001592034952 1173778407 /nfs/dbraw/zinc/77/84/07/1173778407.db2.gz PMFOKBXHYCEMKF-JTQLQIEISA-N -1 1 281.323 1.560 20 0 CDADMM Cc1cc(N[C@@H](C)c2ccccn2)cc(-c2nn[n-]n2)n1 ZINC001592034952 1173778419 /nfs/dbraw/zinc/77/84/19/1173778419.db2.gz PMFOKBXHYCEMKF-JTQLQIEISA-N -1 1 281.323 1.560 20 0 CDADMM Cc1cc(N[C@@H]2COC[C@@H]2C2CC2)nc(-c2nnn[n-]2)c1 ZINC001592038264 1173782361 /nfs/dbraw/zinc/78/23/61/1173782361.db2.gz AVBXQRQOLNANFX-ZYHUDNBSSA-N -1 1 286.339 1.407 20 0 CDADMM Cc1cc(N[C@@H]2COC[C@@H]2C2CC2)nc(-c2nn[n-]n2)c1 ZINC001592038264 1173782366 /nfs/dbraw/zinc/78/23/66/1173782366.db2.gz AVBXQRQOLNANFX-ZYHUDNBSSA-N -1 1 286.339 1.407 20 0 CDADMM Cc1ccc(CC[C@H](C)Nc2ncncc2-c2nn[n-]n2)o1 ZINC001592150828 1173813383 /nfs/dbraw/zinc/81/33/83/1173813383.db2.gz XEDTUKBKOQNOFL-VIFPVBQESA-N -1 1 299.338 1.991 20 0 CDADMM Cc1ccc(NC[C@@H]2CCC=CO2)nc1-c1nnn[n-]1 ZINC001592183163 1173825850 /nfs/dbraw/zinc/82/58/50/1173825850.db2.gz OFGKMNMKLVYWQM-JTQLQIEISA-N -1 1 272.312 1.675 20 0 CDADMM Cc1ccc(NC[C@@H]2CCC=CO2)nc1-c1nn[n-]n1 ZINC001592183163 1173825856 /nfs/dbraw/zinc/82/58/56/1173825856.db2.gz OFGKMNMKLVYWQM-JTQLQIEISA-N -1 1 272.312 1.675 20 0 CDADMM Cc1ccc(N[C@H](C)CC[S@](C)=O)nc1-c1nnn[n-]1 ZINC001592183842 1173827400 /nfs/dbraw/zinc/82/74/00/1173827400.db2.gz KWXDKKGRNGPRPZ-YBYGRFCBSA-N -1 1 294.384 1.139 20 0 CDADMM Cc1ccc(N[C@H](C)CC[S@](C)=O)nc1-c1nn[n-]n1 ZINC001592183842 1173827406 /nfs/dbraw/zinc/82/74/06/1173827406.db2.gz KWXDKKGRNGPRPZ-YBYGRFCBSA-N -1 1 294.384 1.139 20 0 CDADMM Cc1ccc(N[C@H]2CS[C@H](C)C2)nc1-c1nnn[n-]1 ZINC001592183869 1173828224 /nfs/dbraw/zinc/82/82/24/1173828224.db2.gz LMKUUGGTNMOCAF-RKDXNWHRSA-N -1 1 276.369 1.876 20 0 CDADMM Cc1ccc(N[C@H]2CS[C@H](C)C2)nc1-c1nn[n-]n1 ZINC001592183869 1173828232 /nfs/dbraw/zinc/82/82/32/1173828232.db2.gz LMKUUGGTNMOCAF-RKDXNWHRSA-N -1 1 276.369 1.876 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@@H](O)C2(C)C)c(-c2nnn[n-]2)n1 ZINC001592184003 1173828270 /nfs/dbraw/zinc/82/82/70/1173828270.db2.gz OBCLPDSNWMGGMY-NXEZZACHSA-N -1 1 274.328 1.141 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@@H](O)C2(C)C)c(-c2nn[n-]n2)n1 ZINC001592184003 1173828275 /nfs/dbraw/zinc/82/82/75/1173828275.db2.gz OBCLPDSNWMGGMY-NXEZZACHSA-N -1 1 274.328 1.141 20 0 CDADMM Cc1cccnc1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001592260732 1173838930 /nfs/dbraw/zinc/83/89/30/1173838930.db2.gz GKCMENBPIJAYJK-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@H]3[C@@H](C2)C3(F)F)n1 ZINC001592338202 1173859289 /nfs/dbraw/zinc/85/92/89/1173859289.db2.gz WMVZRKMSUVDRAW-JGVFFNPUSA-N -1 1 293.281 1.057 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@H]3[C@@H](C2)C3(F)F)n1 ZINC001592338202 1173859293 /nfs/dbraw/zinc/85/92/93/1173859293.db2.gz WMVZRKMSUVDRAW-JGVFFNPUSA-N -1 1 293.281 1.057 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@H]2CC(C)(C)CO2)c1C ZINC001592338981 1173859907 /nfs/dbraw/zinc/85/99/07/1173859907.db2.gz BPYFKFPVEIJLCI-SNVBAGLBSA-N -1 1 276.344 1.495 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@H]2CC(C)(C)CO2)c1C ZINC001592338981 1173859914 /nfs/dbraw/zinc/85/99/14/1173859914.db2.gz BPYFKFPVEIJLCI-SNVBAGLBSA-N -1 1 276.344 1.495 20 0 CDADMM Cc1nc(N[C@H](C)c2ccccn2)cc(-c2nnn[n-]2)n1 ZINC001592380656 1173872226 /nfs/dbraw/zinc/87/22/26/1173872226.db2.gz NFBPUBGNEWXTAR-MRVPVSSYSA-N -1 1 282.311 1.533 20 0 CDADMM Cc1nc(N[C@H](C)c2ccccn2)cc(-c2nn[n-]n2)n1 ZINC001592380656 1173872233 /nfs/dbraw/zinc/87/22/33/1173872233.db2.gz NFBPUBGNEWXTAR-MRVPVSSYSA-N -1 1 282.311 1.533 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCO[C@@H](C)[C@@H]1C ZINC001592499185 1173906328 /nfs/dbraw/zinc/90/63/28/1173906328.db2.gz IQQNEWSMWCRRAJ-YUMQZZPRSA-N -1 1 291.311 1.018 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCO[C@@H](C)[C@@H]1C ZINC001592499185 1173906337 /nfs/dbraw/zinc/90/63/37/1173906337.db2.gz IQQNEWSMWCRRAJ-YUMQZZPRSA-N -1 1 291.311 1.018 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCOC(F)F ZINC001592503320 1173907236 /nfs/dbraw/zinc/90/72/36/1173907236.db2.gz GAFWABUILSSRCS-UHFFFAOYSA-N -1 1 288.210 1.164 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCOC(F)F ZINC001592503320 1173907242 /nfs/dbraw/zinc/90/72/42/1173907242.db2.gz GAFWABUILSSRCS-UHFFFAOYSA-N -1 1 288.210 1.164 20 0 CDADMM FC(F)(F)c1cccc(Cn2cc(-c3nn[n-]n3)nn2)c1 ZINC001592622266 1173929505 /nfs/dbraw/zinc/92/95/05/1173929505.db2.gz ZLBKMYICXPQSSC-UHFFFAOYSA-N -1 1 295.228 1.525 20 0 CDADMM O=C(C[C@H]1CCCCO1)Nc1ncc(-c2nnn[n-]2)s1 ZINC001592821873 1173994983 /nfs/dbraw/zinc/99/49/83/1173994983.db2.gz ZFUKOFJFHQMNRP-SSDOTTSWSA-N -1 1 294.340 1.221 20 0 CDADMM O=C(C[C@H]1CCCCO1)Nc1ncc(-c2nn[n-]n2)s1 ZINC001592821873 1173994987 /nfs/dbraw/zinc/99/49/87/1173994987.db2.gz ZFUKOFJFHQMNRP-SSDOTTSWSA-N -1 1 294.340 1.221 20 0 CDADMM O=C(NC1(C2CCC2)CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001592957071 1174006011 /nfs/dbraw/zinc/00/60/11/1174006011.db2.gz XLICZCVXJJBYME-UHFFFAOYSA-N -1 1 298.350 1.714 20 0 CDADMM O=C(NC1(C2CCC2)CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001592957071 1174006016 /nfs/dbraw/zinc/00/60/16/1174006016.db2.gz XLICZCVXJJBYME-UHFFFAOYSA-N -1 1 298.350 1.714 20 0 CDADMM O=C(N[C@H](C1CC1)C1CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001592949922 1174006891 /nfs/dbraw/zinc/00/68/91/1174006891.db2.gz OTNABCCPRGVQEU-ZDUSSCGKSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(N[C@H](C1CC1)C1CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001592949922 1174006894 /nfs/dbraw/zinc/00/68/94/1174006894.db2.gz OTNABCCPRGVQEU-ZDUSSCGKSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(N[C@@H]1CCCC12CC2)c1cccc(-c2nnn[n-]2)n1 ZINC001592976787 1174010400 /nfs/dbraw/zinc/01/04/00/1174010400.db2.gz IBJTZNIUSJGYME-LLVKDONJSA-N -1 1 284.323 1.324 20 0 CDADMM O=C(N[C@@H]1CCCC12CC2)c1cccc(-c2nn[n-]n2)n1 ZINC001592976787 1174010404 /nfs/dbraw/zinc/01/04/04/1174010404.db2.gz IBJTZNIUSJGYME-LLVKDONJSA-N -1 1 284.323 1.324 20 0 CDADMM O=C(NCC[C@@H]1CC1(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC001593059787 1174019330 /nfs/dbraw/zinc/01/93/30/1174019330.db2.gz DVDDCBVOZHLCRJ-ZCFIWIBFSA-N -1 1 299.306 1.703 20 0 CDADMM O=C(NCC[C@@H]1CC1(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC001593059787 1174019335 /nfs/dbraw/zinc/01/93/35/1174019335.db2.gz DVDDCBVOZHLCRJ-ZCFIWIBFSA-N -1 1 299.306 1.703 20 0 CDADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)[C@H]1C[C@@H]1F ZINC001593122051 1174024545 /nfs/dbraw/zinc/02/45/45/1174024545.db2.gz VJLOBTIZQYQNIE-BQBZGAKWSA-N -1 1 297.240 1.119 20 0 CDADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)[C@H]1C[C@@H]1F ZINC001593122051 1174024551 /nfs/dbraw/zinc/02/45/51/1174024551.db2.gz VJLOBTIZQYQNIE-BQBZGAKWSA-N -1 1 297.240 1.119 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cccs1 ZINC001593137019 1174025162 /nfs/dbraw/zinc/02/51/62/1174025162.db2.gz MUIBHHUCDHSMEG-UHFFFAOYSA-N -1 1 291.361 1.920 20 0 CDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001593146464 1174025356 /nfs/dbraw/zinc/02/53/56/1174025356.db2.gz PREHTSVGAKYDBQ-UHFFFAOYSA-N -1 1 298.281 1.331 20 0 CDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001593146464 1174025362 /nfs/dbraw/zinc/02/53/62/1174025362.db2.gz PREHTSVGAKYDBQ-UHFFFAOYSA-N -1 1 298.281 1.331 20 0 CDADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)[C@@H]1CC12CC2 ZINC001593307267 1174060523 /nfs/dbraw/zinc/06/05/23/1174060523.db2.gz QIHLDVNFXLUHNG-LURJTMIESA-N -1 1 277.309 1.167 20 0 CDADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)[C@@H]1CC12CC2 ZINC001593307267 1174060526 /nfs/dbraw/zinc/06/05/26/1174060526.db2.gz QIHLDVNFXLUHNG-LURJTMIESA-N -1 1 277.309 1.167 20 0 CDADMM O=C(OCc1ccsc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593302543 1174060818 /nfs/dbraw/zinc/06/08/18/1174060818.db2.gz AONMKFQUQJYHNM-UHFFFAOYSA-N -1 1 276.277 1.878 20 0 CDADMM O=C(NC1CCC(=O)CC1)c1ccsc1-c1nnn[n-]1 ZINC001593390533 1174073289 /nfs/dbraw/zinc/07/32/89/1174073289.db2.gz LCGRRTWITYRFIU-UHFFFAOYSA-N -1 1 291.336 1.170 20 0 CDADMM O=C(NC1CCC(=O)CC1)c1ccsc1-c1nn[n-]n1 ZINC001593390533 1174073297 /nfs/dbraw/zinc/07/32/97/1174073297.db2.gz LCGRRTWITYRFIU-UHFFFAOYSA-N -1 1 291.336 1.170 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001593493446 1174088290 /nfs/dbraw/zinc/08/82/90/1174088290.db2.gz HYQIVZPPHGWXAM-JFGNBEQYSA-N -1 1 271.324 1.465 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1CC[C@@H](O)c1ccccc1 ZINC001593492399 1174088435 /nfs/dbraw/zinc/08/84/35/1174088435.db2.gz JCGKJNVMIYNJCE-CYBMUJFWSA-N -1 1 297.318 1.152 20 0 CDADMM O[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C2(CCC2)C1 ZINC001593520849 1174098271 /nfs/dbraw/zinc/09/82/71/1174098271.db2.gz XIWDSWDJRDFOLL-JTQLQIEISA-N -1 1 286.339 1.146 20 0 CDADMM O[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C2(CCC2)C1 ZINC001593520849 1174098279 /nfs/dbraw/zinc/09/82/79/1174098279.db2.gz XIWDSWDJRDFOLL-JTQLQIEISA-N -1 1 286.339 1.146 20 0 CDADMM c1c(N[C@@H]2C[C@H]2C2CC2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543794 1174111497 /nfs/dbraw/zinc/11/14/97/1174111497.db2.gz ZUCXWVRTHPYSOT-VHSXEESVSA-N -1 1 283.339 1.745 20 0 CDADMM c1c(N[C@@H]2C[C@H]2C2CC2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543794 1174111498 /nfs/dbraw/zinc/11/14/98/1174111498.db2.gz ZUCXWVRTHPYSOT-VHSXEESVSA-N -1 1 283.339 1.745 20 0 CDADMM c1[nH]nc(NCc2cccc3ncccc23)c1-c1nnn[n-]1 ZINC001593555025 1174128259 /nfs/dbraw/zinc/12/82/59/1174128259.db2.gz ZUUIFKLYYSNICH-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1[nH]nc(NCc2cccc3ncccc23)c1-c1nn[n-]n1 ZINC001593555025 1174128261 /nfs/dbraw/zinc/12/82/61/1174128261.db2.gz ZUUIFKLYYSNICH-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1cc2cc(CNc3ccnc(-c4nn[n-]n4)n3)ccc2o1 ZINC001593561483 1174137850 /nfs/dbraw/zinc/13/78/50/1174137850.db2.gz SGCQWAPDCBBPOL-UHFFFAOYSA-N -1 1 293.290 1.437 20 0 CDADMM c1ccc(C2CN(c3ncncc3-c3nn[n-]n3)C2)cc1 ZINC001593572705 1174145905 /nfs/dbraw/zinc/14/59/05/1174145905.db2.gz DVUAFHPHPCWBBA-UHFFFAOYSA-N -1 1 279.307 1.261 20 0 CDADMM c1ccc([C@@H]2CCCN2c2cccnc2-c2nnn[n-]2)nc1 ZINC001593574229 1174146156 /nfs/dbraw/zinc/14/61/56/1174146156.db2.gz YEJLKKBHVSAKFY-LBPRGKRZSA-N -1 1 293.334 1.998 20 0 CDADMM c1ccc([C@@H]2CCCN2c2cccnc2-c2nn[n-]n2)nc1 ZINC001593574229 1174146160 /nfs/dbraw/zinc/14/61/60/1174146160.db2.gz YEJLKKBHVSAKFY-LBPRGKRZSA-N -1 1 293.334 1.998 20 0 CDADMM c1ccc2c(c1)CN(c1ccnc(-c3nn[n-]n3)n1)CCN2 ZINC001593580534 1174148106 /nfs/dbraw/zinc/14/81/06/1174148106.db2.gz MXIPAPCLABDHMS-UHFFFAOYSA-N -1 1 294.322 1.089 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCc2ccc3c(c2)CCO3)c1 ZINC001593585600 1174152114 /nfs/dbraw/zinc/15/21/14/1174152114.db2.gz WVRRIUHMRXUGPM-UHFFFAOYSA-N -1 1 294.318 1.809 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCc2ccc3c(c2)CCO3)c1 ZINC001593585600 1174152118 /nfs/dbraw/zinc/15/21/18/1174152118.db2.gz WVRRIUHMRXUGPM-UHFFFAOYSA-N -1 1 294.318 1.809 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@@H]2C[C@@H]3CCCC[C@H]23)n1 ZINC001593584880 1174153096 /nfs/dbraw/zinc/15/30/96/1174153096.db2.gz QBXZWRZHZOTJMP-LPEHRKFASA-N -1 1 271.328 1.647 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@@H]2C[C@@H]3CCCC[C@H]23)n1 ZINC001593584880 1174153099 /nfs/dbraw/zinc/15/30/99/1174153099.db2.gz QBXZWRZHZOTJMP-LPEHRKFASA-N -1 1 271.328 1.647 20 0 CDADMM c1ccc2oc(COc3cccnc3-c3nnn[n-]3)nc2c1 ZINC001593584210 1174153507 /nfs/dbraw/zinc/15/35/07/1174153507.db2.gz JDRQQYIKMPBDKR-UHFFFAOYSA-N -1 1 294.274 1.982 20 0 CDADMM c1ccc2oc(COc3cccnc3-c3nn[n-]n3)nc2c1 ZINC001593584210 1174153511 /nfs/dbraw/zinc/15/35/11/1174153511.db2.gz JDRQQYIKMPBDKR-UHFFFAOYSA-N -1 1 294.274 1.982 20 0 CDADMM c1coc([C@H]2CCN(c3ncncc3-c3nn[n-]n3)C2)c1 ZINC001593589813 1174156649 /nfs/dbraw/zinc/15/66/49/1174156649.db2.gz SNYUFZMKRIXNAN-VIFPVBQESA-N -1 1 283.295 1.244 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CCCC[C@H]2C2CCC2)n1 ZINC001593590164 1174157530 /nfs/dbraw/zinc/15/75/30/1174157530.db2.gz IPLPAIPKUIALDV-LBPRGKRZSA-N -1 1 285.355 1.816 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CCCC[C@H]2C2CCC2)n1 ZINC001593590164 1174157537 /nfs/dbraw/zinc/15/75/37/1174157537.db2.gz IPLPAIPKUIALDV-LBPRGKRZSA-N -1 1 285.355 1.816 20 0 CDADMM c1c(CNc2cnc(-c3nnn[n-]3)cn2)onc1C1CC1 ZINC001593590522 1174157993 /nfs/dbraw/zinc/15/79/93/1174157993.db2.gz WILHKPVENCHTEE-UHFFFAOYSA-N -1 1 284.283 1.134 20 0 CDADMM c1c(CNc2cnc(-c3nn[n-]n3)cn2)onc1C1CC1 ZINC001593590522 1174157997 /nfs/dbraw/zinc/15/79/97/1174157997.db2.gz WILHKPVENCHTEE-UHFFFAOYSA-N -1 1 284.283 1.134 20 0 CDADMM c1nc(N2CC3C[C@@H]4CC2C[C@H](C3)C4)cnc1-c1nnn[n-]1 ZINC001593591040 1174159130 /nfs/dbraw/zinc/15/91/30/1174159130.db2.gz JJFLHZVUGXTZKF-ZYANWLCNSA-N -1 1 297.366 1.672 20 0 CDADMM c1nc(N2CC3C[C@@H]4CC2C[C@H](C3)C4)cnc1-c1nn[n-]n1 ZINC001593591040 1174159135 /nfs/dbraw/zinc/15/91/35/1174159135.db2.gz JJFLHZVUGXTZKF-ZYANWLCNSA-N -1 1 297.366 1.672 20 0 CDADMM Cc1c(NC(=O)c2cn[nH]c2C2CC2)cnn1CC(=O)[O-] ZINC001600045277 1174346757 /nfs/dbraw/zinc/34/67/57/1174346757.db2.gz BNJWDFYAFKJQTN-UHFFFAOYSA-N -1 1 289.295 1.129 20 0 CDADMM Cc1nnc(Cn2cc(C3CCC(C(=O)[O-])CC3)nn2)[nH]1 ZINC001600671260 1174557759 /nfs/dbraw/zinc/55/77/59/1174557759.db2.gz SITYMNOODUIWDB-UHFFFAOYSA-N -1 1 290.327 1.111 20 0 CDADMM Cc1nc(C)c(C(=O)Nc2nc3n(c2C(=O)[O-])CCC3)[nH]1 ZINC001600685678 1174562754 /nfs/dbraw/zinc/56/27/54/1174562754.db2.gz XCEKVRCRHYLLKZ-UHFFFAOYSA-N -1 1 289.295 1.120 20 0 CDADMM Cc1nnc([C@@H](C)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)s1 ZINC001600792782 1174612154 /nfs/dbraw/zinc/61/21/54/1174612154.db2.gz BDDOQSVVAUNGKJ-SXMVTHIZSA-N -1 1 269.370 1.950 20 0 CDADMM CCO[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC000103616507 1174683598 /nfs/dbraw/zinc/68/35/98/1174683598.db2.gz KTGHGJULRYAHHU-NSHDSACASA-N -1 1 274.328 1.267 20 0 CDADMM CCO[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC000103616507 1174683603 /nfs/dbraw/zinc/68/36/03/1174683603.db2.gz KTGHGJULRYAHHU-NSHDSACASA-N -1 1 274.328 1.267 20 0 CDADMM Nc1cc(CN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)ccn1 ZINC001601212168 1174790940 /nfs/dbraw/zinc/79/09/40/1174790940.db2.gz FKKOCPBWJKMJNM-NSHDSACASA-N -1 1 289.257 1.503 20 0 CDADMM O=C([O-])[C@H](CNC(=O)CCN1CC[C@H](F)C1)CC1CC1 ZINC001601274405 1174821492 /nfs/dbraw/zinc/82/14/92/1174821492.db2.gz DSPLGSBZBDLTIP-RYUDHWBXSA-N -1 1 286.347 1.037 20 0 CDADMM O=C([O-])c1occc1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001601545864 1174897169 /nfs/dbraw/zinc/89/71/69/1174897169.db2.gz LNMZLYCPGFTXAE-UHFFFAOYSA-N -1 1 286.247 1.179 20 0 CDADMM O=C([O-])[C@@H]1CCN(Cc2cnns2)[C@@H]2CCC[C@@H]21 ZINC001601828249 1175025715 /nfs/dbraw/zinc/02/57/15/1175025715.db2.gz RPMUIZFIVGTFDB-GMTAPVOTSA-N -1 1 267.354 1.613 20 0 CDADMM O=C([O-])Cc1c[nH]n(C[C@@H]2CCCC2(F)F)c1=O ZINC001601939451 1175076568 /nfs/dbraw/zinc/07/65/68/1175076568.db2.gz BWLDGSYWURRYAT-SFYZADRCSA-N -1 1 260.240 1.341 20 0 CDADMM O=C([O-])c1ccc(C(=O)Nc2nc(-c3ccncc3)n[nH]2)[nH]1 ZINC001602326124 1175206326 /nfs/dbraw/zinc/20/63/26/1175206326.db2.gz MGKWERVNQAJNOJ-UHFFFAOYSA-N -1 1 298.262 1.145 20 0 CDADMM O=C([O-])c1ccc(NC(=O)c2cncc3nc[nH]c32)s1 ZINC001602381355 1175228366 /nfs/dbraw/zinc/22/83/66/1175228366.db2.gz QAKAFNZDHKJHPF-UHFFFAOYSA-N -1 1 288.288 1.970 20 0 CDADMM O=C([O-])c1ccnc(N[C@@H](c2nnc[nH]2)c2ccccc2)n1 ZINC001602482933 1175255486 /nfs/dbraw/zinc/25/54/86/1175255486.db2.gz SIPVTYAPDJMABO-LLVKDONJSA-N -1 1 296.290 1.494 20 0 CDADMM O=C([O-])c1cnc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)s1 ZINC001602523464 1175271073 /nfs/dbraw/zinc/27/10/73/1175271073.db2.gz RQNXUKKPZSJJOB-PRJMDXOYSA-N -1 1 254.311 1.251 20 0 CDADMM O=C([O-])c1cnc(Nc2cnn(-c3ccncc3)c2)cn1 ZINC001602534687 1175276014 /nfs/dbraw/zinc/27/60/14/1175276014.db2.gz LEYCNIZTVSYUCT-UHFFFAOYSA-N -1 1 282.263 1.499 20 0 CDADMM O=C([O-])c1csc(NC(=O)c2cnncc2O)c1 ZINC001602563481 1175298388 /nfs/dbraw/zinc/29/83/88/1175298388.db2.gz SVZKSKJUVHRYMG-UHFFFAOYSA-N -1 1 265.250 1.194 20 0 CDADMM C/C(=C\C(=O)[O-])CN1CCN(c2cc(C)ccn2)CC1 ZINC001602957995 1175459036 /nfs/dbraw/zinc/45/90/36/1175459036.db2.gz MDSLOYYANRLDKV-JLHYYAGUSA-N -1 1 275.352 1.543 20 0 CDADMM CC(C)(C)/C=C\C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001603069182 1175484482 /nfs/dbraw/zinc/48/44/82/1175484482.db2.gz PSNRLUPDTLCOJM-SREVYHEPSA-N -1 1 287.323 1.907 20 0 CDADMM CC(C)(C)/C=C\C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001603069182 1175484485 /nfs/dbraw/zinc/48/44/85/1175484485.db2.gz PSNRLUPDTLCOJM-SREVYHEPSA-N -1 1 287.323 1.907 20 0 CDADMM CC(C)(C)OCC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001603102291 1175491674 /nfs/dbraw/zinc/49/16/74/1175491674.db2.gz MVYCGTJCRXUUAE-UHFFFAOYSA-N -1 1 282.329 1.077 20 0 CDADMM CC(C)(C)OCC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001603102291 1175491677 /nfs/dbraw/zinc/49/16/77/1175491677.db2.gz MVYCGTJCRXUUAE-UHFFFAOYSA-N -1 1 282.329 1.077 20 0 CDADMM CC(C)[C@H]1CCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603245183 1175523511 /nfs/dbraw/zinc/52/35/11/1175523511.db2.gz GFOISHRGAPGNSG-SECBINFHSA-N -1 1 277.353 1.799 20 0 CDADMM CC(C)COCCC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603303196 1175534366 /nfs/dbraw/zinc/53/43/66/1175534366.db2.gz JUQVKQUZFNTLLE-UHFFFAOYSA-N -1 1 290.327 1.263 20 0 CDADMM CC(C)COCCC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603303196 1175534369 /nfs/dbraw/zinc/53/43/69/1175534369.db2.gz JUQVKQUZFNTLLE-UHFFFAOYSA-N -1 1 290.327 1.263 20 0 CDADMM CC(C)N(C)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603315411 1175538637 /nfs/dbraw/zinc/53/86/37/1175538637.db2.gz GHYHXKZXDVHQQE-UHFFFAOYSA-N -1 1 251.315 1.409 20 0 CDADMM Cn1nnc(NC(=O)c2cc3ccccc3cc2[O-])n1 ZINC000127379013 1175544321 /nfs/dbraw/zinc/54/43/21/1175544321.db2.gz VWJLFKAJFNSGFK-UHFFFAOYSA-N -1 1 269.264 1.321 20 0 CDADMM CC(C)OC1(CNc2ccnc(-c3nnn[n-]3)c2)CCC1 ZINC001603346988 1175544605 /nfs/dbraw/zinc/54/46/05/1175544605.db2.gz IQOXGZZISSQDAP-UHFFFAOYSA-N -1 1 288.355 1.443 20 0 CDADMM CC(C)OC1(CNc2ccnc(-c3nn[n-]n3)c2)CCC1 ZINC001603346988 1175544609 /nfs/dbraw/zinc/54/46/09/1175544609.db2.gz IQOXGZZISSQDAP-UHFFFAOYSA-N -1 1 288.355 1.443 20 0 CDADMM CC(C)[C@H](Nc1cccc(-c2nnn[n-]2)n1)C(C)(C)O ZINC001603387750 1175549326 /nfs/dbraw/zinc/54/93/26/1175549326.db2.gz GPECDUYOJJSANN-NSHDSACASA-N -1 1 276.344 1.469 20 0 CDADMM CC(C)[C@H](Nc1cccc(-c2nn[n-]n2)n1)C(C)(C)O ZINC001603387750 1175549333 /nfs/dbraw/zinc/54/93/33/1175549333.db2.gz GPECDUYOJJSANN-NSHDSACASA-N -1 1 276.344 1.469 20 0 CDADMM C[C@H](O)CCCOC(=O)c1sccc1-c1nn[n-]n1 ZINC001603696367 1175602061 /nfs/dbraw/zinc/60/20/61/1175602061.db2.gz QALNMAYUXPKDEB-ZETCQYMHSA-N -1 1 282.325 1.246 20 0 CDADMM C[C@H](c1ccccc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001603733993 1175611915 /nfs/dbraw/zinc/61/19/15/1175611915.db2.gz AFTLPBYBIMDJBF-SNVBAGLBSA-N -1 1 281.323 1.854 20 0 CDADMM C[C@H](c1ccccc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001603733993 1175611918 /nfs/dbraw/zinc/61/19/18/1175611918.db2.gz AFTLPBYBIMDJBF-SNVBAGLBSA-N -1 1 281.323 1.854 20 0 CDADMM C[C@H](c1cccc(O)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001603735744 1175612042 /nfs/dbraw/zinc/61/20/42/1175612042.db2.gz WJOYOHFFDKCONY-SECBINFHSA-N -1 1 297.322 1.560 20 0 CDADMM C[C@H](c1cccc(O)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001603735744 1175612048 /nfs/dbraw/zinc/61/20/48/1175612048.db2.gz WJOYOHFFDKCONY-SECBINFHSA-N -1 1 297.322 1.560 20 0 CDADMM CC(C)[C@@H]1CCN(CN2CCC[C@](C)(C(=O)[O-])C2)C1=O ZINC001603757691 1175620422 /nfs/dbraw/zinc/62/04/22/1175620422.db2.gz WQWRUAUXHRONJC-WFASDCNBSA-N -1 1 282.384 1.635 20 0 CDADMM C[C@@H]1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001603882152 1175667981 /nfs/dbraw/zinc/66/79/81/1175667981.db2.gz PMWUIWRQTDXELC-OUAUKWLOSA-N -1 1 272.356 1.920 20 0 CDADMM C[C@@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001603882152 1175667984 /nfs/dbraw/zinc/66/79/84/1175667984.db2.gz PMWUIWRQTDXELC-OUAUKWLOSA-N -1 1 272.356 1.920 20 0 CDADMM C[C@@H]1CCC[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)[C@H]1C ZINC001603887835 1175669984 /nfs/dbraw/zinc/66/99/84/1175669984.db2.gz SEHZPYZLPDZVNF-KXUCPTDWSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CCC[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)[C@H]1C ZINC001603887835 1175669988 /nfs/dbraw/zinc/66/99/88/1175669988.db2.gz SEHZPYZLPDZVNF-KXUCPTDWSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@H]1OCC[C@@H]1COC(=O)c1ccsc1-c1nnn[n-]1 ZINC001603953947 1175697691 /nfs/dbraw/zinc/69/76/91/1175697691.db2.gz CYGCOUQPNXVNSP-HTQZYQBOSA-N -1 1 294.336 1.510 20 0 CDADMM C[C@H]1OCC[C@@H]1COC(=O)c1ccsc1-c1nn[n-]n1 ZINC001603953947 1175697694 /nfs/dbraw/zinc/69/76/94/1175697694.db2.gz CYGCOUQPNXVNSP-HTQZYQBOSA-N -1 1 294.336 1.510 20 0 CDADMM CCC(C)(C)CCNc1ncncc1-c1nn[n-]n1 ZINC001603982093 1175707208 /nfs/dbraw/zinc/70/72/08/1175707208.db2.gz VDMQDQJVZMCSAW-UHFFFAOYSA-N -1 1 261.333 1.895 20 0 CDADMM CC(C)c1n[nH]c(CC2CCN(C(=O)CC(=O)[O-])CC2)n1 ZINC001604014233 1175721951 /nfs/dbraw/zinc/72/19/51/1175721951.db2.gz ZUCDADVDDPLQED-UHFFFAOYSA-N -1 1 294.355 1.184 20 0 CDADMM CC(C)c1nnc(CC2CCN(C(=O)CC(=O)[O-])CC2)[nH]1 ZINC001604014233 1175721960 /nfs/dbraw/zinc/72/19/60/1175721960.db2.gz ZUCDADVDDPLQED-UHFFFAOYSA-N -1 1 294.355 1.184 20 0 CDADMM CCC(CC)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001604023160 1175723324 /nfs/dbraw/zinc/72/33/24/1175723324.db2.gz SONDSGFOHSXQKM-UHFFFAOYSA-N -1 1 280.357 1.376 20 0 CDADMM CCC(CC)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001604023160 1175723328 /nfs/dbraw/zinc/72/33/28/1175723328.db2.gz SONDSGFOHSXQKM-UHFFFAOYSA-N -1 1 280.357 1.376 20 0 CDADMM CC[C@H](F)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001604044941 1175731709 /nfs/dbraw/zinc/73/17/09/1175731709.db2.gz BOUGMGAHWGJCSB-YFKPBYRVSA-N -1 1 270.293 1.318 20 0 CDADMM CC[C@H](F)C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001604044941 1175731715 /nfs/dbraw/zinc/73/17/15/1175731715.db2.gz BOUGMGAHWGJCSB-YFKPBYRVSA-N -1 1 270.293 1.318 20 0 CDADMM O=S(=O)([N-]CCO)c1cc(Cl)c(Cl)s1 ZINC000140653936 1177633556 /nfs/dbraw/zinc/63/35/56/1177633556.db2.gz SKKLGNUYMIVSQJ-UHFFFAOYSA-N -1 1 276.166 1.326 20 0 CDADMM COC(=O)CCCS(=O)(=O)[N-]c1cc(C)cc(C)n1 ZINC000156910568 1178194520 /nfs/dbraw/zinc/19/45/20/1178194520.db2.gz XKKOHSNOUHYWHN-UHFFFAOYSA-N -1 1 286.353 1.393 20 0 CDADMM COC1(CNC(=O)c2ccc([O-])cc2F)CCOCC1 ZINC000165217462 1180968107 /nfs/dbraw/zinc/96/81/07/1180968107.db2.gz UUXHLJYLNLMPJW-UHFFFAOYSA-N -1 1 283.299 1.457 20 0 CDADMM N#Cc1ccc(CNC(=O)c2ncccc2[O-])cc1F 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Cc1cc([C@H](C)N(C)CCNC(=O)N(C)C)oc1C(=O)[O-] ZINC001607608546 1164239844 /nfs/dbraw/zinc/23/98/44/1164239844.db2.gz OZGPTARBDUDERT-JTQLQIEISA-N -1 1 297.355 1.550 20 0 CDADMM Cc1cc(CN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)n[nH]1 ZINC001607637833 1164248261 /nfs/dbraw/zinc/24/82/61/1164248261.db2.gz IAMUFMZDORTOFB-JTQLQIEISA-N -1 1 277.246 1.557 20 0 CDADMM Nc1[nH]c(=S)[n-]c(=O)c1Nc1cccc(CO)c1Cl ZINC001212761626 1164299578 /nfs/dbraw/zinc/29/95/78/1164299578.db2.gz SAPNDGQPEKYMIG-UHFFFAOYSA-N -1 1 298.755 1.942 20 0 CDADMM Cc1oc(CN(C)C[C@H](O)CC2(O)CCC2)cc1C(=O)[O-] ZINC001608046205 1164392058 /nfs/dbraw/zinc/39/20/58/1164392058.db2.gz SMHDQLVNCSRJGJ-LLVKDONJSA-N -1 1 297.351 1.384 20 0 CDADMM Cc1oc(CN[C@@H]2CCCC23OCCO3)cc1C(=O)[O-] ZINC001608050732 1164394755 /nfs/dbraw/zinc/39/47/55/1164394755.db2.gz IGWCEVPTPMVPKB-GFCCVEGCSA-N -1 1 281.308 1.671 20 0 CDADMM NC(=O)Cc1ccc(CNCc2cc(C(=O)[O-])co2)cc1 ZINC001608237558 1164462524 /nfs/dbraw/zinc/46/25/24/1164462524.db2.gz 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/nfs/dbraw/zinc/27/82/39/279278239.db2.gz IFIIZVWCYUNNIF-UHFFFAOYSA-N -1 1 288.275 1.740 20 0 CDADMM CCC(CC)[C@@H](O)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590431884 1173408492 /nfs/dbraw/zinc/40/84/92/1173408492.db2.gz VELRFMFCGDSBNF-NSHDSACASA-N -1 1 291.359 1.174 20 0 CDADMM CCC(CC)[C@@H](O)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590431884 1173408498 /nfs/dbraw/zinc/40/84/98/1173408498.db2.gz VELRFMFCGDSBNF-NSHDSACASA-N -1 1 291.359 1.174 20 0 CDADMM CC(C)C(=O)NCCCNC(=O)c1c([O-])cccc1F ZINC000130800506 279654087 /nfs/dbraw/zinc/65/40/87/279654087.db2.gz NEOVDJNRMQTXQA-UHFFFAOYSA-N -1 1 282.315 1.423 20 0 CDADMM O=C([O-])CCN1CCN(c2cc(F)ccc2F)CC1 ZINC000082575277 280070543 /nfs/dbraw/zinc/07/05/43/280070543.db2.gz HOVHHXFYFMGDIV-UHFFFAOYSA-N -1 1 270.279 1.562 20 0 CDADMM Cc1ccc([C@@H](CNC(=O)CCC(=O)[O-])N2CCCC2)o1 ZINC000516290571 280931928 /nfs/dbraw/zinc/93/19/28/280931928.db2.gz PYVDBMFRLYMHJM-GFCCVEGCSA-N -1 1 294.351 1.706 20 0 CDADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCO2)c1nn[n-]n1 ZINC000095243400 289062239 /nfs/dbraw/zinc/06/22/39/289062239.db2.gz KJWFRHIAJIEYQP-VIFPVBQESA-N -1 1 287.323 1.010 20 0 CDADMM Cc1[nH]c2ccc(Cl)cc2c1C(=O)Nc1nnn[n-]1 ZINC000152446324 289134271 /nfs/dbraw/zinc/13/42/71/289134271.db2.gz RWLYVXVDRLZFHZ-UHFFFAOYSA-N -1 1 276.687 1.895 20 0 CDADMM Cc1[nH]c2ccc(Cl)cc2c1C(=O)Nc1nn[n-]n1 ZINC000152446324 289134275 /nfs/dbraw/zinc/13/42/75/289134275.db2.gz RWLYVXVDRLZFHZ-UHFFFAOYSA-N -1 1 276.687 1.895 20 0 CDADMM Cc1nsc([N-]C(=O)c2ncn(-c3ccccc3)n2)n1 ZINC000157980702 289299263 /nfs/dbraw/zinc/29/92/63/289299263.db2.gz LQCGZPQYGUSQRN-UHFFFAOYSA-N -1 1 286.320 1.680 20 0 CDADMM CCC[C@@H](NC(=O)C=Cc1cncc(C)c1)c1nn[n-]n1 ZINC000255288997 289363853 /nfs/dbraw/zinc/36/38/53/289363853.db2.gz BHSPHAVSZOIRBU-FOQNGQEVSA-N -1 1 286.339 1.574 20 0 CDADMM CC[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001590515072 1173446368 /nfs/dbraw/zinc/44/63/68/1173446368.db2.gz VIPFCZMKJPMZBO-NXEZZACHSA-N -1 1 258.329 1.887 20 0 CDADMM C[C@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)C1CCCCC1 ZINC000353707035 289919288 /nfs/dbraw/zinc/91/92/88/289919288.db2.gz JMCYCJNCIWGUHK-VIFPVBQESA-N -1 1 289.339 1.116 20 0 CDADMM CC(F)(F)C[N-]S(=O)(=O)N1CC[C@H]2CCCC[C@H]2C1 ZINC000549525107 289968996 /nfs/dbraw/zinc/96/89/96/289968996.db2.gz XWOHEHIWIQVZRY-MNOVXSKESA-N -1 1 296.383 1.988 20 0 CDADMM Cc1ccccc1S(=O)(=O)N=c1cc2ccccn2[n-]1 ZINC000552036191 290044756 /nfs/dbraw/zinc/04/47/56/290044756.db2.gz ADQUDTFLFFWBDV-UHFFFAOYSA-N -1 1 287.344 1.865 20 0 CDADMM Oc1cccnc1C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000554851661 290194752 /nfs/dbraw/zinc/19/47/52/290194752.db2.gz IIZHHXQHFWTIQT-UHFFFAOYSA-N -1 1 289.301 1.857 20 0 CDADMM Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(C2CC2)n[nH]1 ZINC000556796172 290300120 /nfs/dbraw/zinc/30/01/20/290300120.db2.gz KQYCQQJOPKKJPW-UHFFFAOYSA-N -1 1 281.341 1.130 20 0 CDADMM Cc1nc([C@@H](C)NC(=O)N=c2[n-]nc(C3CC3)s2)n[nH]1 ZINC000556856662 290311360 /nfs/dbraw/zinc/31/13/60/290311360.db2.gz RHUMPMUOHJVQEC-RXMQYKEDSA-N -1 1 293.356 1.147 20 0 CDADMM O=c1[n-]c([C@@H]2CCCCN2C[C@@H]2CCCC[C@@H]2O)n[nH]1 ZINC000563215930 293315480 /nfs/dbraw/zinc/31/54/80/293315480.db2.gz HSSLAGOVBKGDGT-SRVKXCTJSA-N -1 1 280.372 1.588 20 0 CDADMM CCCC(O)(CCC)CNc1cc(-c2nnn[n-]2)ncn1 ZINC001590558522 1173463982 /nfs/dbraw/zinc/46/39/82/1173463982.db2.gz DNFPTWJMZPPNJB-UHFFFAOYSA-N -1 1 291.359 1.400 20 0 CDADMM CCCC(O)(CCC)CNc1cc(-c2nn[n-]n2)ncn1 ZINC001590558522 1173463986 /nfs/dbraw/zinc/46/39/86/1173463986.db2.gz DNFPTWJMZPPNJB-UHFFFAOYSA-N -1 1 291.359 1.400 20 0 CDADMM CCC[C@H](O)CCNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001590560346 1173463419 /nfs/dbraw/zinc/46/34/19/1173463419.db2.gz MZEKGMOOTMTTQI-JTQLQIEISA-N -1 1 276.344 1.533 20 0 CDADMM CCC[C@H](O)CCNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001590560346 1173463423 /nfs/dbraw/zinc/46/34/23/1173463423.db2.gz MZEKGMOOTMTTQI-JTQLQIEISA-N -1 1 276.344 1.533 20 0 CDADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CC(=O)N(C2CC2)C1 ZINC000565583261 293639940 /nfs/dbraw/zinc/63/99/40/293639940.db2.gz 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/nfs/dbraw/zinc/47/46/22/1173474622.db2.gz SWZXTUGDMQVWTP-UHFFFAOYSA-N -1 1 294.340 1.092 20 0 CDADMM CCCCOC(=O)CSc1ncncc1-c1nn[n-]n1 ZINC001590607606 1173474626 /nfs/dbraw/zinc/47/46/26/1173474626.db2.gz SWZXTUGDMQVWTP-UHFFFAOYSA-N -1 1 294.340 1.092 20 0 CDADMM Cc1noc(C)c1CCN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000574601698 295025718 /nfs/dbraw/zinc/02/57/18/295025718.db2.gz GUZRXMUUZQFONR-LLVKDONJSA-N -1 1 291.355 1.537 20 0 CDADMM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc3cncn3c2)C1 ZINC000263410381 300784587 /nfs/dbraw/zinc/78/45/87/300784587.db2.gz ITVFAZITIHKLCQ-AWEZNQCLSA-N -1 1 273.292 1.271 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]2C2CC2)n1 ZINC001590906767 1173539408 /nfs/dbraw/zinc/53/94/08/1173539408.db2.gz XFKMHWKSFSLSGI-SNVBAGLBSA-N -1 1 271.328 1.208 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]2C2CC2)n1 ZINC001590906767 1173539413 /nfs/dbraw/zinc/53/94/13/1173539413.db2.gz XFKMHWKSFSLSGI-SNVBAGLBSA-N -1 1 271.328 1.208 20 0 CDADMM CO[C@H]([C@@H](C)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001591326457 1173613052 /nfs/dbraw/zinc/61/30/52/1173613052.db2.gz LLDIIGMYULHNOW-PRHODGIISA-N -1 1 274.328 1.487 20 0 CDADMM CO[C@H]([C@@H](C)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001591326457 1173613063 /nfs/dbraw/zinc/61/30/63/1173613063.db2.gz LLDIIGMYULHNOW-PRHODGIISA-N -1 1 274.328 1.487 20 0 CDADMM COCC[C@@H](C)CNc1ccc(C)nc1-c1nnn[n-]1 ZINC001591398808 1173647384 /nfs/dbraw/zinc/64/73/84/1173647384.db2.gz JUUVCSWILMOPSY-SECBINFHSA-N -1 1 276.344 1.655 20 0 CDADMM COCC[C@@H](C)CNc1ccc(C)nc1-c1nn[n-]n1 ZINC001591398808 1173647386 /nfs/dbraw/zinc/64/73/86/1173647386.db2.gz JUUVCSWILMOPSY-SECBINFHSA-N -1 1 276.344 1.655 20 0 CDADMM CS[C@@H]1CC[C@H](Nc2cc(-c3nnn[n-]3)nc(C)n2)C1 ZINC001591691243 1173680556 /nfs/dbraw/zinc/68/05/56/1173680556.db2.gz XMHLYVXKZPVMPG-DTWKUNHWSA-N -1 1 291.384 1.661 20 0 CDADMM CS[C@@H]1CC[C@H](Nc2cc(-c3nn[n-]n3)nc(C)n2)C1 ZINC001591691243 1173680559 /nfs/dbraw/zinc/68/05/59/1173680559.db2.gz XMHLYVXKZPVMPG-DTWKUNHWSA-N -1 1 291.384 1.661 20 0 CDADMM CS[C@H]1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001591689328 1173681746 /nfs/dbraw/zinc/68/17/46/1173681746.db2.gz DEMOEUTXXYBSBU-IUCAKERBSA-N -1 1 291.384 1.743 20 0 CDADMM CS[C@H]1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001591689328 1173681751 /nfs/dbraw/zinc/68/17/51/1173681751.db2.gz DEMOEUTXXYBSBU-IUCAKERBSA-N -1 1 291.384 1.743 20 0 CDADMM O=C(N[C@H]1CCCC[C@H]1n1cccn1)c1cncc([O-])c1 ZINC000174102973 315882886 /nfs/dbraw/zinc/88/28/86/315882886.db2.gz WVUZJJCPSDEEMI-UONOGXRCSA-N -1 1 286.335 1.897 20 0 CDADMM Cc1cccc(S(=O)(=O)CCCN(C)CCC(=O)[O-])c1 ZINC000563450856 316313451 /nfs/dbraw/zinc/31/34/51/316313451.db2.gz JCUBBUBPVIVVGE-UHFFFAOYSA-N -1 1 299.392 1.565 20 0 CDADMM CCCCNC(=O)CSc1ncc(C)c(=O)[n-]1 ZINC000570107501 316914442 /nfs/dbraw/zinc/91/44/42/316914442.db2.gz MKEMAAKCOYNEHW-UHFFFAOYSA-N -1 1 255.343 1.499 20 0 CDADMM O=C(c1ccoc1Cl)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000575791209 317014695 /nfs/dbraw/zinc/01/46/95/317014695.db2.gz YQIXTYJGQRORJG-SSDOTTSWSA-N -1 1 281.703 1.466 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606529071 /nfs/dbraw/zinc/52/90/71/606529071.db2.gz QKKLKLVCOAUNCQ-UHFFFAOYSA-N -1 1 272.312 1.324 20 0 CDADMM O=C(NCc1ccoc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823265960 606535972 /nfs/dbraw/zinc/53/59/72/606535972.db2.gz JJFYYVIGBLCSDJ-UHFFFAOYSA-N -1 1 275.293 1.451 20 0 CDADMM O=C(NCc1ccoc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823265960 606535973 /nfs/dbraw/zinc/53/59/73/606535973.db2.gz JJFYYVIGBLCSDJ-UHFFFAOYSA-N -1 1 275.293 1.451 20 0 CDADMM C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820696532 606552038 /nfs/dbraw/zinc/55/20/38/606552038.db2.gz AOJJWCOSWPJINN-SFYZADRCSA-N -1 1 277.353 1.847 20 0 CDADMM C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820696532 606552039 /nfs/dbraw/zinc/55/20/39/606552039.db2.gz AOJJWCOSWPJINN-SFYZADRCSA-N -1 1 277.353 1.847 20 0 CDADMM CC[C@H](CCO)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820903725 606823825 /nfs/dbraw/zinc/82/38/25/606823825.db2.gz WXNHQFZSGZGLMT-MRVPVSSYSA-N -1 1 295.368 1.067 20 0 CDADMM CC[C@H](CCO)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820903725 606823827 /nfs/dbraw/zinc/82/38/27/606823827.db2.gz WXNHQFZSGZGLMT-MRVPVSSYSA-N -1 1 295.368 1.067 20 0 CDADMM Fc1ccc(CNCc2ccc(-c3nnn[n-]3)o2)nc1 ZINC000822771385 606923864 /nfs/dbraw/zinc/92/38/64/606923864.db2.gz GTHYORUEOOSQNX-UHFFFAOYSA-N -1 1 274.259 1.284 20 0 CDADMM O=C(N[C@H]1CCC(F)(F)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823144936 606940912 /nfs/dbraw/zinc/94/09/12/606940912.db2.gz NBJIDUNQUNLRLH-LURJTMIESA-N -1 1 299.306 1.846 20 0 CDADMM O=C(N[C@H]1CCC(F)(F)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823144936 606940914 /nfs/dbraw/zinc/94/09/14/606940914.db2.gz NBJIDUNQUNLRLH-LURJTMIESA-N -1 1 299.306 1.846 20 0 CDADMM c1cc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)nc(-c2nnn[n-]2)c1 ZINC000826516844 607822410 /nfs/dbraw/zinc/82/24/10/607822410.db2.gz DSDWSLQWFMHZME-WQAKAFBOSA-N -1 1 298.350 1.631 20 0 CDADMM c1cc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)nc(-c2nn[n-]n2)c1 ZINC000826516844 607822411 /nfs/dbraw/zinc/82/24/11/607822411.db2.gz DSDWSLQWFMHZME-WQAKAFBOSA-N -1 1 298.350 1.631 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000095147286 607901010 /nfs/dbraw/zinc/90/10/10/607901010.db2.gz JDKMMCHQUQJDAZ-NWDGAFQWSA-N -1 1 286.339 1.410 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000095147286 607901011 /nfs/dbraw/zinc/90/10/11/607901011.db2.gz JDKMMCHQUQJDAZ-NWDGAFQWSA-N -1 1 286.339 1.410 20 0 CDADMM C[C@@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)c1nnc[nH]1 ZINC001604396728 1163176687 /nfs/dbraw/zinc/17/66/87/1163176687.db2.gz AAUTYZNLGMVTBC-SECBINFHSA-N -1 1 289.291 1.740 20 0 CDADMM C[C@H]1c2ccsc2CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000825029432 608391324 /nfs/dbraw/zinc/39/13/24/608391324.db2.gz SHJLRFWDJNCFDA-QMMMGPOBSA-N -1 1 299.363 1.842 20 0 CDADMM C[C@H]1c2ccsc2CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000825029432 608391326 /nfs/dbraw/zinc/39/13/26/608391326.db2.gz SHJLRFWDJNCFDA-QMMMGPOBSA-N -1 1 299.363 1.842 20 0 CDADMM C[C@]1(c2ccccc2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824843183 608424128 /nfs/dbraw/zinc/42/41/28/608424128.db2.gz BIYRBFFZRMENKE-IUODEOHRSA-N -1 1 293.334 1.799 20 0 CDADMM C[C@]1(c2ccccc2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824843183 608424130 /nfs/dbraw/zinc/42/41/30/608424130.db2.gz BIYRBFFZRMENKE-IUODEOHRSA-N -1 1 293.334 1.799 20 0 CDADMM C[C@@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCCS1 ZINC000824829362 608431643 /nfs/dbraw/zinc/43/16/43/608431643.db2.gz DEVPLOVPELAIFX-NSHDSACASA-N -1 1 277.357 1.354 20 0 CDADMM C[C@@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCCS1 ZINC000824829362 608431644 /nfs/dbraw/zinc/43/16/44/608431644.db2.gz DEVPLOVPELAIFX-NSHDSACASA-N -1 1 277.357 1.354 20 0 CDADMM CCC(O)(CC)CNc1nc(-c2nn[n-]n2)ccc1C ZINC000825154820 608543466 /nfs/dbraw/zinc/54/34/66/608543466.db2.gz UHIADKPNVRULJC-UHFFFAOYSA-N -1 1 276.344 1.533 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCCSCCCO ZINC000826280951 608544969 /nfs/dbraw/zinc/54/49/69/608544969.db2.gz XFFZINDEQZFTSV-UHFFFAOYSA-N -1 1 294.384 1.098 20 0 CDADMM CSC[C@H](CCO)Nc1nc(-c2nn[n-]n2)ccc1C ZINC000826228417 608546336 /nfs/dbraw/zinc/54/63/36/608546336.db2.gz NXAYLWDNOARNIJ-VIFPVBQESA-N -1 1 294.384 1.096 20 0 CDADMM CCc1ccc(NC(=O)Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000825712378 608891732 /nfs/dbraw/zinc/89/17/32/608891732.db2.gz PQYBRRXSASFVDH-UHFFFAOYSA-N -1 1 297.322 1.264 20 0 CDADMM CCc1ccc(NC(=O)Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000825712378 608891733 /nfs/dbraw/zinc/89/17/33/608891733.db2.gz PQYBRRXSASFVDH-UHFFFAOYSA-N -1 1 297.322 1.264 20 0 CDADMM C[C@@H]1C[C@H](CCNc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000824885373 609596521 /nfs/dbraw/zinc/59/65/21/609596521.db2.gz SITOBFVWJHYETA-GHMZBOCLSA-N -1 1 288.355 1.879 20 0 CDADMM C[C@@H]1C[C@H](CCNc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000824885373 609596522 /nfs/dbraw/zinc/59/65/22/609596522.db2.gz SITOBFVWJHYETA-GHMZBOCLSA-N -1 1 288.355 1.879 20 0 CDADMM C[C@]1(C2CC2)COCCN1C(=O)c1ncccc1[O-] ZINC000890590127 617224414 /nfs/dbraw/zinc/22/44/14/617224414.db2.gz YOOGWHTUOIODFP-CQSZACIVSA-N -1 1 262.309 1.428 20 0 CDADMM Cc1cnc(C(=O)NCc2ccc(CCO)cc2)c([O-])c1 ZINC000890636228 617240695 /nfs/dbraw/zinc/24/06/95/617240695.db2.gz APVRVZIGHCQOGJ-UHFFFAOYSA-N -1 1 286.331 1.560 20 0 CDADMM O=C(N[C@]12CC(=O)N[C@H]1CCCC2)c1ccc([O-])c(F)c1 ZINC000891282581 617397863 /nfs/dbraw/zinc/39/78/63/617397863.db2.gz APDLXWPHJZLUPU-SWLSCSKDSA-N -1 1 292.310 1.462 20 0 CDADMM COCc1nc(NC[C@@]2(C)CCO[C@@H]2C2CC2)cc(=O)[n-]1 ZINC000893215721 617469431 /nfs/dbraw/zinc/46/94/31/617469431.db2.gz KXQSLOLDEKFTEY-HUUCEWRRSA-N -1 1 293.367 1.946 20 0 CDADMM C[C@]1(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CCCCO1 ZINC000891613503 617504815 /nfs/dbraw/zinc/50/48/15/617504815.db2.gz IFWNXLZRJWVZGM-OAHLLOKOSA-N -1 1 291.351 1.959 20 0 CDADMM COCCCOCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891621121 617508624 /nfs/dbraw/zinc/50/86/24/617508624.db2.gz GBSMYQDHPSAXIH-UHFFFAOYSA-N -1 1 295.339 1.053 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)C1SCCS1 ZINC000891621725 617509731 /nfs/dbraw/zinc/50/97/31/617509731.db2.gz LJXHGABRMLPBTF-UHFFFAOYSA-N -1 1 297.405 1.806 20 0 CDADMM CC(C)OCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891623967 617510255 /nfs/dbraw/zinc/51/02/55/617510255.db2.gz MHPUALCTVNHUCA-UHFFFAOYSA-N -1 1 265.313 1.425 20 0 CDADMM CC[C@H]1CC[C@@H](C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)O1 ZINC000891622026 617510321 /nfs/dbraw/zinc/51/03/21/617510321.db2.gz MHJSPBIGSPROBH-CABZTGNLSA-N -1 1 291.351 1.957 20 0 CDADMM COCc1nc(N[C@@H](C)c2nnc3n2CCC3)cc(=O)[n-]1 ZINC000891678674 617535052 /nfs/dbraw/zinc/53/50/52/617535052.db2.gz MBLXUMDWJOBQCF-QMMMGPOBSA-N -1 1 290.327 1.039 20 0 CDADMM COCc1nc(N(C)CC2(O)CCCC2)cc(=O)[n-]1 ZINC000892956008 617981126 /nfs/dbraw/zinc/98/11/26/617981126.db2.gz REPKLKUEUQKTEE-UHFFFAOYSA-N -1 1 267.329 1.070 20 0 CDADMM O=S(=O)([N-]C[C@@H]1CCCS1)c1ccc(F)nc1F ZINC000866949083 620745737 /nfs/dbraw/zinc/74/57/37/620745737.db2.gz PBHCHBDDRRFEOW-ZETCQYMHSA-N -1 1 294.348 1.534 20 0 CDADMM CCc1cnc(CN(C)c2cc(=O)[n-]c(COC)n2)s1 ZINC000892784381 617746487 /nfs/dbraw/zinc/74/64/87/617746487.db2.gz IIWQNGXOJPAUOB-UHFFFAOYSA-N -1 1 294.380 1.984 20 0 CDADMM COCc1nc(N(C)CCC2CCOCC2)cc(=O)[n-]1 ZINC000892894583 617871444 /nfs/dbraw/zinc/87/14/44/617871444.db2.gz DHVLBTMHPBIEBQ-UHFFFAOYSA-N -1 1 281.356 1.582 20 0 CDADMM O=C(OCc1c(F)c(F)c(F)c(F)c1F)c1cn[n-]n1 ZINC000805603501 618359282 /nfs/dbraw/zinc/35/92/82/618359282.db2.gz OHWLTSMVKOCYQH-UHFFFAOYSA-N -1 1 293.151 1.857 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000901992575 618434513 /nfs/dbraw/zinc/43/45/13/618434513.db2.gz JMVHVTCPDOVRGP-HIAZDOBYSA-N -1 1 291.351 1.540 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cc2[nH]cnc2cc1F ZINC000901998840 618443817 /nfs/dbraw/zinc/44/38/17/618443817.db2.gz ZQYAUZNNFZGUEP-JMCQJSRRSA-N -1 1 291.282 1.780 20 0 CDADMM O=C([O-])C[C@H]1COCCN1Cc1cccc2cc[nH]c21 ZINC000902002251 618476229 /nfs/dbraw/zinc/47/62/29/618476229.db2.gz NRIQQVHWGCJVPW-ZDUSSCGKSA-N -1 1 274.320 1.843 20 0 CDADMM CC[C@@H](C(=O)[O-])N(C)C(=O)C[N@@H+](C)CCc1ccccc1 ZINC000902021070 618499050 /nfs/dbraw/zinc/49/90/50/618499050.db2.gz XQRRHLJMWPFHJE-AWEZNQCLSA-N -1 1 292.379 1.483 20 0 CDADMM CC[C@@H](C(=O)[O-])N(C)C(=O)CN(C)CCc1ccccc1 ZINC000902021070 618499053 /nfs/dbraw/zinc/49/90/53/618499053.db2.gz XQRRHLJMWPFHJE-AWEZNQCLSA-N -1 1 292.379 1.483 20 0 CDADMM CCOC(=O)c1ccc(CN(C)CCC(=O)[O-])o1 ZINC000820369293 618531755 /nfs/dbraw/zinc/53/17/55/618531755.db2.gz YZELXQKXUXWPQI-UHFFFAOYSA-N -1 1 255.270 1.363 20 0 CDADMM CN1CCCC[C@H]1C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC000902073563 618538115 /nfs/dbraw/zinc/53/81/15/618538115.db2.gz GLGVHXMKQHWDBG-NSHDSACASA-N -1 1 270.373 1.430 20 0 CDADMM C[C@@H]1CN(C(=O)CCCCc2cn[nH]n2)C[C@H]1CC(=O)[O-] ZINC000910858227 618547290 /nfs/dbraw/zinc/54/72/90/618547290.db2.gz QFZYDEXVFBGZHJ-GHMZBOCLSA-N -1 1 294.355 1.087 20 0 CDADMM COCc1nc(N[C@H]2C[C@H](OC)C23CCC3)cc(=O)[n-]1 ZINC000894167213 618647687 /nfs/dbraw/zinc/64/76/87/618647687.db2.gz MUKLYYUZUPODEN-UWVGGRQHSA-N -1 1 279.340 1.698 20 0 CDADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@H](CO)C1CC1 ZINC000867172137 618673856 /nfs/dbraw/zinc/67/38/56/618673856.db2.gz VRSZBDBJGRQXSF-LLVKDONJSA-N -1 1 269.728 1.475 20 0 CDADMM O=C(CCCc1nn[n-]n1)N[C@H]1CCCc2ccccc2C1 ZINC000888245246 619119145 /nfs/dbraw/zinc/11/91/45/619119145.db2.gz BHJGKGNSZSCMOR-AWEZNQCLSA-N -1 1 299.378 1.586 20 0 CDADMM C[C@H](CNC(=O)c1cccc2nc[nH]c21)CC(=O)[O-] ZINC000909492656 619398582 /nfs/dbraw/zinc/39/85/82/619398582.db2.gz UXVZRWDBZRRZHJ-QMMMGPOBSA-N -1 1 261.281 1.404 20 0 CDADMM O=C([O-])C[C@H]1CCCCN1C(=O)c1cccc2nn[nH]c21 ZINC000909499942 619421728 /nfs/dbraw/zinc/42/17/28/619421728.db2.gz ZMRCKMLDFGKRIH-SECBINFHSA-N -1 1 288.307 1.427 20 0 CDADMM Cc1cn2nc([N-]c3cnn(CC#N)c3)sc2n1 ZINC000142789708 619483876 /nfs/dbraw/zinc/48/38/76/619483876.db2.gz CCQLKGAKCSCABY-UHFFFAOYSA-N -1 1 259.298 1.563 20 0 CDADMM O=c1nc(NC[C@H]2CCC3(CCOCC3)O2)cc(Cl)[n-]1 ZINC000896179868 620019469 /nfs/dbraw/zinc/01/94/69/620019469.db2.gz ZXLMFLNKQQYMQY-SECBINFHSA-N -1 1 299.758 1.976 20 0 CDADMM C[C@@H](CC(=O)[N-]OCc1ccccn1)c1cnn(C)c1 ZINC000909544470 620276619 /nfs/dbraw/zinc/27/66/19/620276619.db2.gz NGGGYILPMHDNKO-NSHDSACASA-N -1 1 274.324 1.557 20 0 CDADMM C[C@H](O)CCNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897056256 620361413 /nfs/dbraw/zinc/36/14/13/620361413.db2.gz JFNFVAGHRHSTLK-VIFPVBQESA-N -1 1 275.304 1.752 20 0 CDADMM CCC1(C[N-]S(=O)(=O)N=S2(=O)CCCC2)CCC1 ZINC000866937358 620620927 /nfs/dbraw/zinc/62/09/27/620620927.db2.gz GRQQKWQSBHZPBL-UHFFFAOYSA-N -1 1 294.442 1.663 20 0 CDADMM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000035295780 621019486 /nfs/dbraw/zinc/01/94/86/621019486.db2.gz QUWZRIUBGHQXSE-UHFFFAOYSA-N -1 1 292.316 1.510 20 0 CDADMM CC[C@@](C)(NCC(=O)NCc1ccccc1)C(=O)[O-] ZINC000041725851 621697036 /nfs/dbraw/zinc/69/70/36/621697036.db2.gz PJUFTGFGFOYPKY-CQSZACIVSA-N -1 1 264.325 1.146 20 0 CDADMM C[C@@H](CN1CCOCC1)C(=O)[N-]Oc1ccc(F)cc1 ZINC000898574081 621798929 /nfs/dbraw/zinc/79/89/29/621798929.db2.gz GQGRAILVYKOXLR-NSHDSACASA-N -1 1 282.315 1.204 20 0 CDADMM C[C@@H](C(=O)NCc1nc([O-])cc(=O)[nH]1)c1cccs1 ZINC000898757314 621861377 /nfs/dbraw/zinc/86/13/77/621861377.db2.gz QZBCWKSRECNPQP-SSDOTTSWSA-N -1 1 279.321 1.369 20 0 CDADMM O=C(CCc1cccs1)NCc1nc([O-])cc(=O)[nH]1 ZINC000898751606 621864179 /nfs/dbraw/zinc/86/41/79/621864179.db2.gz NDGHFJHJPMGMMJ-UHFFFAOYSA-N -1 1 279.321 1.198 20 0 CDADMM Cc1n[nH]cc1CN[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC000900072507 622674871 /nfs/dbraw/zinc/67/48/71/622674871.db2.gz ZWEXJOWVYFTTHM-JTQLQIEISA-N -1 1 275.312 1.238 20 0 CDADMM Cn1nc2c(c1NC(=O)c1cnc(C3CC3)[n-]c1=O)CCC2 ZINC000900354585 622903078 /nfs/dbraw/zinc/90/30/78/622903078.db2.gz HMDFOJLHQNPJIL-UHFFFAOYSA-N -1 1 299.334 1.534 20 0 CDADMM C[C@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@@H]1C ZINC000900895398 623617297 /nfs/dbraw/zinc/61/72/97/623617297.db2.gz OWARJPVZNCQNOL-IUCAKERBSA-N -1 1 261.325 1.788 20 0 CDADMM C[C@@H](Cc1ccncc1)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900967786 623744303 /nfs/dbraw/zinc/74/43/03/623744303.db2.gz MPKQPISSJPUCSH-JTQLQIEISA-N -1 1 298.346 1.816 20 0 CDADMM Cc1nc2cccc(C(=O)NC3(C(=O)[O-])CCCC3)c2[nH]1 ZINC000901433577 624245928 /nfs/dbraw/zinc/24/59/28/624245928.db2.gz LOKGKLHNSPNFFH-UHFFFAOYSA-N -1 1 287.319 1.999 20 0 CDADMM Cc1nc2c(cccc2C(=O)N2CC[C@@H](C(=O)[O-])C2)[nH]1 ZINC000901438470 624249471 /nfs/dbraw/zinc/24/94/71/624249471.db2.gz IIPUSRBNTGPHBI-SECBINFHSA-N -1 1 273.292 1.418 20 0 CDADMM C[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000901450196 624260618 /nfs/dbraw/zinc/26/06/18/624260618.db2.gz MCDDUAKOLNCPLN-XLDPMVHQSA-N -1 1 265.313 1.007 20 0 CDADMM C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N(C)CCC(=O)[O-])C1 ZINC000901460513 624278042 /nfs/dbraw/zinc/27/80/42/624278042.db2.gz TWROYWIUYQPZML-PSASIEDQSA-N -1 1 265.313 1.009 20 0 CDADMM O=C([O-])[C@@H]1CC12CCN(Cc1ccnn1CC1CC1)CC2 ZINC000901499151 624302665 /nfs/dbraw/zinc/30/26/65/624302665.db2.gz LOTYSJZDZSDNJS-AWEZNQCLSA-N -1 1 289.379 1.980 20 0 CDADMM CC[C@H](NC(=O)CN(C)CCc1ccccc1)C(=O)[O-] ZINC000901704717 624403095 /nfs/dbraw/zinc/40/30/95/624403095.db2.gz VBWJVXXPWJBQLZ-ZDUSSCGKSA-N -1 1 278.352 1.140 20 0 CDADMM Cc1cc([N-]S(=O)(=O)N=S(C)(C)=O)cs1 ZINC000901697369 624412826 /nfs/dbraw/zinc/41/28/26/624412826.db2.gz UWFRZLDKCWRQLX-UHFFFAOYSA-N -1 1 268.385 1.441 20 0 CDADMM Cc1n[nH]c([N-]S(=O)(=O)c2cc(C3CC3)nn2C)c1C ZINC000903610992 626042857 /nfs/dbraw/zinc/04/28/57/626042857.db2.gz JCAPTHSSILPKAA-UHFFFAOYSA-N -1 1 295.368 1.438 20 0 CDADMM C[C@H](O)CN1CCN(Cc2ccc(C(=O)[O-])s2)[C@H](C)C1 ZINC000903686290 626054403 /nfs/dbraw/zinc/05/44/03/626054403.db2.gz GVXAHAMIDRKXAR-MNOVXSKESA-N -1 1 298.408 1.333 20 0 CDADMM COC[C@@]1(C(=O)[O-])CCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903702076 626058065 /nfs/dbraw/zinc/05/80/65/626058065.db2.gz PCYCXTKEJGMGTD-CQSZACIVSA-N -1 1 285.340 1.197 20 0 CDADMM O=C([O-])N[C@H]1C[C@@H](NCc2ccon2)C12CCC2 ZINC000904225371 626224146 /nfs/dbraw/zinc/22/41/46/626224146.db2.gz ZVTCWZVKSDDRLE-ZJUUUORDSA-N -1 1 251.286 1.343 20 0 CDADMM CC[C@H](N[C@@H](C)C(=O)[O-])C(=O)NCc1cccs1 ZINC000904250031 626229778 /nfs/dbraw/zinc/22/97/78/626229778.db2.gz WPMFMBOONIEARP-WPRPVWTQSA-N -1 1 270.354 1.206 20 0 CDADMM Cc1ccncc1[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000906061476 627108081 /nfs/dbraw/zinc/10/80/81/627108081.db2.gz SBONCYVAVNXIGM-UHFFFAOYSA-N -1 1 289.382 1.309 20 0 CDADMM O=C(C1CCC=CCC1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907473030 627672733 /nfs/dbraw/zinc/67/27/33/627672733.db2.gz BDJJIOYCRHSONQ-LLVKDONJSA-N -1 1 293.396 1.563 20 0 CDADMM O=C(C=C1CCCC1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907474272 627673555 /nfs/dbraw/zinc/67/35/55/627673555.db2.gz FZBPDCFJFUJZJI-JTQLQIEISA-N -1 1 279.369 1.317 20 0 CDADMM C[C@@H]1CSCCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000907721035 627807355 /nfs/dbraw/zinc/80/73/55/627807355.db2.gz JNJZUMDEOBGSBN-VIFPVBQESA-N -1 1 293.392 1.885 20 0 CDADMM CC[C@H](O)[C@@H](C)C(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC000908264057 628099459 /nfs/dbraw/zinc/09/94/59/628099459.db2.gz IDTMYLNQOKXQHX-PELKAZGASA-N -1 1 278.308 1.798 20 0 CDADMM CCC(CC)CNC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000908713470 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/nfs/dbraw/zinc/69/64/00/1163696400.db2.gz WSLCZVHNRAKVQD-SCZZXKLOSA-N -1 1 258.329 1.805 20 0 CDADMM Cc1ccc(N2C[C@H](CO)C[C@H](C)C2)nc1-c1nnn[n-]1 ZINC001605864447 1163696717 /nfs/dbraw/zinc/69/67/17/1163696717.db2.gz DLQGQYYWRLUHHC-GXSJLCMTSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(N2C[C@H](CO)C[C@H](C)C2)nc1-c1nn[n-]n1 ZINC001605864447 1163696722 /nfs/dbraw/zinc/69/67/22/1163696722.db2.gz DLQGQYYWRLUHHC-GXSJLCMTSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1nn(C)c(C)c1CNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001605873092 1163699059 /nfs/dbraw/zinc/69/90/59/1163699059.db2.gz BBJRTVJEDSDZAT-UHFFFAOYSA-N -1 1 298.354 1.533 20 0 CDADMM Cc1nn(C)c(C)c1CNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001605873092 1163699065 /nfs/dbraw/zinc/69/90/65/1163699065.db2.gz BBJRTVJEDSDZAT-UHFFFAOYSA-N -1 1 298.354 1.533 20 0 CDADMM CCc1nnc(CNC2(CC(=O)[O-])CCC2)s1 ZINC001605870214 1163700400 /nfs/dbraw/zinc/70/04/00/1163700400.db2.gz VRMZQYXXUONMPX-UHFFFAOYSA-N -1 1 255.343 1.588 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@H](O)C23CCC3)c(-c2nnn[n-]2)n1 ZINC001605872332 1163700455 /nfs/dbraw/zinc/70/04/55/1163700455.db2.gz VVDJIDHNCMZACP-MNOVXSKESA-N -1 1 286.339 1.286 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@H](O)C23CCC3)c(-c2nn[n-]n2)n1 ZINC001605872332 1163700459 /nfs/dbraw/zinc/70/04/59/1163700459.db2.gz VVDJIDHNCMZACP-MNOVXSKESA-N -1 1 286.339 1.286 20 0 CDADMM Cc1ccc(N[C@H](C)CC[S@@](C)=O)c(-c2nnn[n-]2)n1 ZINC001605871954 1163700942 /nfs/dbraw/zinc/70/09/42/1163700942.db2.gz OVAIOBMTVWBJML-GSDQLPOLSA-N -1 1 294.384 1.139 20 0 CDADMM Cc1ccc(N[C@H](C)CC[S@@](C)=O)c(-c2nn[n-]n2)n1 ZINC001605871954 1163700945 /nfs/dbraw/zinc/70/09/45/1163700945.db2.gz OVAIOBMTVWBJML-GSDQLPOLSA-N -1 1 294.384 1.139 20 0 CDADMM Cc1ccc(NCC(C)(C)CO)nc1-c1nnn[n-]1 ZINC001605873183 1163700975 /nfs/dbraw/zinc/70/09/75/1163700975.db2.gz DIDVBWQYIQRXCI-UHFFFAOYSA-N -1 1 262.317 1.001 20 0 CDADMM Cc1ccc(NCC(C)(C)CO)nc1-c1nn[n-]n1 ZINC001605873183 1163700978 /nfs/dbraw/zinc/70/09/78/1163700978.db2.gz DIDVBWQYIQRXCI-UHFFFAOYSA-N -1 1 262.317 1.001 20 0 CDADMM Cc1ccc(NCCC[C@@H](C)CO)c(-c2nnn[n-]2)n1 ZINC001605874253 1163702916 /nfs/dbraw/zinc/70/29/16/1163702916.db2.gz LCACDTHGBCWZEE-SECBINFHSA-N -1 1 276.344 1.391 20 0 CDADMM Cc1cccc(CN(C)c2nc(-c3nn[n-]n3)ccc2C)n1 ZINC001605913417 1163712312 /nfs/dbraw/zinc/71/23/12/1163712312.db2.gz JQWDDWCGLJKEFH-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1[nH]nc(NC(=O)C2=CC[C@H](C)CC2)c1-c1nn[n-]n1 ZINC001606013698 1163743818 /nfs/dbraw/zinc/74/38/18/1163743818.db2.gz VXJURQRNQWXECD-ZETCQYMHSA-N -1 1 287.327 1.583 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@H](C)C(C)(C)C2)n1 ZINC001606019947 1163748271 /nfs/dbraw/zinc/74/82/71/1163748271.db2.gz OYNUUIAXZWDAEY-VIFPVBQESA-N -1 1 287.371 1.838 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@H](C)C(C)(C)C2)n1 ZINC001606019947 1163748276 /nfs/dbraw/zinc/74/82/76/1163748276.db2.gz OYNUUIAXZWDAEY-VIFPVBQESA-N -1 1 287.371 1.838 20 0 CDADMM Cc1nc(N[C@@H]2C[C@H]2c2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001606062944 1163761235 /nfs/dbraw/zinc/76/12/35/1163761235.db2.gz JWAMDAMOBUMJNN-NWDGAFQWSA-N -1 1 293.334 1.933 20 0 CDADMM Cc1nc(N[C@@H]2C[C@H]2c2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001606062944 1163761239 /nfs/dbraw/zinc/76/12/39/1163761239.db2.gz JWAMDAMOBUMJNN-NWDGAFQWSA-N -1 1 293.334 1.933 20 0 CDADMM CN(CC(=O)Nc1cccc(C(=O)[O-])c1N)C1CCC1 ZINC001606085102 1163768788 /nfs/dbraw/zinc/76/87/88/1163768788.db2.gz HGJDMGXNHZZUHK-UHFFFAOYSA-N -1 1 277.324 1.390 20 0 CDADMM Cc1nsc(NC(=O)N2CC[C@H](F)C2)c1-c1nnn[n-]1 ZINC001606152549 1163789172 /nfs/dbraw/zinc/78/91/72/1163789172.db2.gz WTXOQNDPCMSCTL-LURJTMIESA-N -1 1 297.319 1.207 20 0 CDADMM Cc1nsc(NC(=O)N2CC[C@H](F)C2)c1-c1nn[n-]n1 ZINC001606152549 1163789176 /nfs/dbraw/zinc/78/91/76/1163789176.db2.gz WTXOQNDPCMSCTL-LURJTMIESA-N -1 1 297.319 1.207 20 0 CDADMM Cn1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)c1 ZINC001606246104 1163827970 /nfs/dbraw/zinc/82/79/70/1163827970.db2.gz BQDQNGKLVVHMFA-UHFFFAOYSA-N -1 1 294.278 1.317 20 0 CDADMM Cn1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)c1 ZINC001606246104 1163827978 /nfs/dbraw/zinc/82/79/78/1163827978.db2.gz BQDQNGKLVVHMFA-UHFFFAOYSA-N -1 1 294.278 1.317 20 0 CDADMM Cn1nccc1[C@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC001606279972 1163835537 /nfs/dbraw/zinc/83/55/37/1163835537.db2.gz CQJGLFIAXHHMFT-GFCCVEGCSA-N -1 1 296.338 1.337 20 0 CDADMM Cn1nccc1[C@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC001606279972 1163835543 /nfs/dbraw/zinc/83/55/43/1163835543.db2.gz CQJGLFIAXHHMFT-GFCCVEGCSA-N -1 1 296.338 1.337 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@@H]2CCC[C@H]21 ZINC001607033070 1164064605 /nfs/dbraw/zinc/06/46/05/1164064605.db2.gz PIFJJBFCDJITHB-GXSJLCMTSA-N -1 1 287.323 1.864 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@@H]2CCC[C@H]21 ZINC001607033070 1164064607 /nfs/dbraw/zinc/06/46/07/1164064607.db2.gz PIFJJBFCDJITHB-GXSJLCMTSA-N -1 1 287.323 1.864 20 0 CDADMM O=C(c1csc(-c2nn[n-]n2)c1)N1C2CCC1CC2 ZINC001607031376 1164065883 /nfs/dbraw/zinc/06/58/83/1164065883.db2.gz DJRJLYLNOPRNAC-UHFFFAOYSA-N -1 1 275.337 1.695 20 0 CDADMM O=c1c(-c2nn[n-]n2)cn([C@@H]2CCOC2)c2ccccc12 ZINC001607092501 1164078532 /nfs/dbraw/zinc/07/85/32/1164078532.db2.gz WIGPIWJGVSSXFO-SECBINFHSA-N -1 1 283.291 1.143 20 0 CDADMM c1cc2cccc(CNc3ccnc(-c4nnn[n-]4)c3)c2[nH]1 ZINC001607118848 1164101358 /nfs/dbraw/zinc/10/13/58/1164101358.db2.gz ALYYMQWFFYAJJC-UHFFFAOYSA-N -1 1 291.318 1.777 20 0 CDADMM c1cc2cccc(CNc3ccnc(-c4nn[n-]n4)c3)c2[nH]1 ZINC001607118848 1164101362 /nfs/dbraw/zinc/10/13/62/1164101362.db2.gz ALYYMQWFFYAJJC-UHFFFAOYSA-N -1 1 291.318 1.777 20 0 CDADMM c1cc(NCCC2CCCCC2)nc(-c2nn[n-]n2)n1 ZINC001607121628 1164103369 /nfs/dbraw/zinc/10/33/69/1164103369.db2.gz SDJMOXWUJRPMPV-UHFFFAOYSA-N -1 1 273.344 1.461 20 0 CDADMM c1ccc(CCCNc2ccnc(-c3nnn[n-]3)c2)nc1 ZINC001607128304 1164107175 /nfs/dbraw/zinc/10/71/75/1164107175.db2.gz KMBGUOKBDKJCPO-UHFFFAOYSA-N -1 1 281.323 1.701 20 0 CDADMM c1ccc(CCCNc2ccnc(-c3nn[n-]n3)c2)nc1 ZINC001607128304 1164107182 /nfs/dbraw/zinc/10/71/82/1164107182.db2.gz KMBGUOKBDKJCPO-UHFFFAOYSA-N -1 1 281.323 1.701 20 0 CDADMM c1ccc2c(c1)CON(c1nccnc1-c1nn[n-]n1)C2 ZINC001607132669 1164113549 /nfs/dbraw/zinc/11/35/49/1164113549.db2.gz QJPMBMXBUUKGOE-UHFFFAOYSA-N -1 1 281.279 1.109 20 0 CDADMM C[C@@H]1[C@H](O)CCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC001607448435 1164185591 /nfs/dbraw/zinc/18/55/91/1164185591.db2.gz VIBYYGMRYFEAKM-PRHODGIISA-N -1 1 269.728 1.993 20 0 CDADMM Cc1cnn(CCN(C)Cc2ccc(C(=O)[O-])cn2)c1 ZINC001607916611 1164338085 /nfs/dbraw/zinc/33/80/85/1164338085.db2.gz QSSNDCKVQWDQAP-UHFFFAOYSA-N -1 1 274.324 1.417 20 0 CDADMM Cc1ncsc1CCN1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001607993603 1164368938 /nfs/dbraw/zinc/36/89/38/1164368938.db2.gz SRPKFEAWUMEQKZ-WPRPVWTQSA-N -1 1 270.354 1.168 20 0 CDADMM Cc1nnc(SCC(=O)c2ccc(C(=O)[O-])cc2)[nH]1 ZINC001608017295 1164377459 /nfs/dbraw/zinc/37/74/59/1164377459.db2.gz RBSLQPKSAHCEJH-UHFFFAOYSA-N -1 1 277.305 1.786 20 0 CDADMM Cc1n[nH]c(SCC(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC001608017295 1164377467 /nfs/dbraw/zinc/37/74/67/1164377467.db2.gz RBSLQPKSAHCEJH-UHFFFAOYSA-N -1 1 277.305 1.786 20 0 CDADMM Cn1c(CN[C@H]2C[C@@H](O)c3ccccc32)ccc1C(=O)[O-] ZINC001608104908 1164410629 /nfs/dbraw/zinc/41/06/29/1164410629.db2.gz SKCJWMCQPZAGBB-DZGCQCFKSA-N -1 1 286.331 1.991 20 0 CDADMM Cn1cc(NC(=O)[C@@H]2CCCN2C2CC2)cc1C(=O)[O-] ZINC001608119000 1164415943 /nfs/dbraw/zinc/41/59/43/1164415943.db2.gz VJKYGGSQPWZVEU-NSHDSACASA-N -1 1 277.324 1.289 20 0 CDADMM O=C([O-])C1([C@@]2(O)CCCN(Cc3cnns3)C2)CCC1 ZINC001608568025 1164549472 /nfs/dbraw/zinc/54/94/72/1164549472.db2.gz KBIWRSRNKBLADS-CYBMUJFWSA-N -1 1 297.380 1.120 20 0 CDADMM O=C([O-])/C=C\c1ccc(CN2C[C@@H]3C[C@]3(CO)C2)o1 ZINC001608659588 1164593592 /nfs/dbraw/zinc/59/35/92/1164593592.db2.gz RPLULAYXYIYDMV-XARCYLTPSA-N -1 1 263.293 1.192 20 0 CDADMM O=C([O-])/C=C/c1ccc(CN[C@@H]2C=C[C@H](CO)C2)o1 ZINC001608660183 1164593865 /nfs/dbraw/zinc/59/38/65/1164593865.db2.gz MNJOGQZZNQKGAM-PFDYWKIBSA-N -1 1 263.293 1.404 20 0 CDADMM O=C([O-])CN(C(=O)CCN1CC[C@@H](F)C1)C1CCCC1 ZINC001608743173 1164625638 /nfs/dbraw/zinc/62/56/38/1164625638.db2.gz NQZBRYIRCQIGHR-LLVKDONJSA-N -1 1 286.347 1.276 20 0 CDADMM O=C([O-])c1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)[O-] ZINC001608946802 1164691574 /nfs/dbraw/zinc/69/15/74/1164691574.db2.gz YRORAPHXLNLPBV-GFCCVEGCSA-N -1 1 263.293 1.824 20 0 CDADMM O=C([O-])c1cn(CN2CCC[C@@H](c3ccccc3)C2)nn1 ZINC001608965124 1164697741 /nfs/dbraw/zinc/69/77/41/1164697741.db2.gz ZNRTVDKWQHGSNX-CYBMUJFWSA-N -1 1 286.335 1.813 20 0 CDADMM CC1(CC(F)F)CN(c2ncncc2-c2nn[n-]n2)C1 ZINC001609148744 1164795252 /nfs/dbraw/zinc/79/52/52/1164795252.db2.gz KBPHJAZYGFWMAU-UHFFFAOYSA-N -1 1 281.270 1.138 20 0 CDADMM C[C@@H]1C[C@H]1c1ccc(CNc2cncc(-c3nnn[n-]3)n2)o1 ZINC001609159346 1164805244 /nfs/dbraw/zinc/80/52/44/1164805244.db2.gz LNSUGOGZLCHUOA-PSASIEDQSA-N -1 1 297.322 1.985 20 0 CDADMM C[C@@H]1C[C@H]1c1ccc(CNc2cncc(-c3nn[n-]n3)n2)o1 ZINC001609159346 1164805251 /nfs/dbraw/zinc/80/52/51/1164805251.db2.gz LNSUGOGZLCHUOA-PSASIEDQSA-N -1 1 297.322 1.985 20 0 CDADMM C[C@@H]1CCCC[C@@H]1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001609164713 1164811791 /nfs/dbraw/zinc/81/17/91/1164811791.db2.gz WDUARMSNSBVRBX-GHMZBOCLSA-N -1 1 272.356 1.922 20 0 CDADMM C[C@@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001609164713 1164811796 /nfs/dbraw/zinc/81/17/96/1164811796.db2.gz WDUARMSNSBVRBX-GHMZBOCLSA-N -1 1 272.356 1.922 20 0 CDADMM CC[C@H](CSC)N(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609191000 1164822504 /nfs/dbraw/zinc/82/25/04/1164822504.db2.gz CDTFBUSVFGLCEI-SECBINFHSA-N -1 1 293.400 1.543 20 0 CDADMM CC[C@H](CSC)N(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609191000 1164822514 /nfs/dbraw/zinc/82/25/14/1164822514.db2.gz CDTFBUSVFGLCEI-SECBINFHSA-N -1 1 293.400 1.543 20 0 CDADMM CC[C@@H](CO)N(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001609191068 1164833160 /nfs/dbraw/zinc/83/31/60/1164833160.db2.gz FPKTYHAJSORPKN-ZETCQYMHSA-N -1 1 282.735 1.122 20 0 CDADMM CC[C@@H](CO)N(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001609191068 1164833166 /nfs/dbraw/zinc/83/31/66/1164833166.db2.gz FPKTYHAJSORPKN-ZETCQYMHSA-N -1 1 282.735 1.122 20 0 CDADMM CN(CC1CCOCC1)c1cccnc1-c1nnn[n-]1 ZINC001609273961 1164877791 /nfs/dbraw/zinc/87/77/91/1164877791.db2.gz MYXVPDSPZOQBIJ-UHFFFAOYSA-N -1 1 274.328 1.125 20 0 CDADMM CN(CC1CCOCC1)c1cccnc1-c1nn[n-]n1 ZINC001609273961 1164877796 /nfs/dbraw/zinc/87/77/96/1164877796.db2.gz MYXVPDSPZOQBIJ-UHFFFAOYSA-N -1 1 274.328 1.125 20 0 CDADMM CO[C@@H](CNc1ccc(C)c(-c2nnn[n-]2)n1)C(C)C ZINC001609310829 1164889974 /nfs/dbraw/zinc/88/99/74/1164889974.db2.gz NOUPUEDYFKUYPY-JTQLQIEISA-N -1 1 276.344 1.653 20 0 CDADMM CO[C@@H](CNc1ccc(C)c(-c2nn[n-]n2)n1)C(C)C ZINC001609310829 1164889981 /nfs/dbraw/zinc/88/99/81/1164889981.db2.gz NOUPUEDYFKUYPY-JTQLQIEISA-N -1 1 276.344 1.653 20 0 CDADMM Cc1ccc(NC2CC(F)(F)C2)nc1-c1nnn[n-]1 ZINC001609426182 1164942218 /nfs/dbraw/zinc/94/22/18/1164942218.db2.gz HRQMEXOWMQMIJQ-UHFFFAOYSA-N -1 1 266.255 1.780 20 0 CDADMM Cc1ccc(NC2CC(F)(F)C2)nc1-c1nn[n-]n1 ZINC001609426182 1164942221 /nfs/dbraw/zinc/94/22/21/1164942221.db2.gz HRQMEXOWMQMIJQ-UHFFFAOYSA-N -1 1 266.255 1.780 20 0 CDADMM Cc1csc(CCNc2ncncc2-c2nn[n-]n2)n1 ZINC001609442479 1164950075 /nfs/dbraw/zinc/95/00/75/1164950075.db2.gz NWTNCRGHEIKZAU-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM Clc1cccc(NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001609473944 1164967603 /nfs/dbraw/zinc/96/76/03/1164967603.db2.gz VLYGRVZYAJVFFT-UHFFFAOYSA-N -1 1 293.743 1.984 20 0 CDADMM Clc1cccc(NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001609473944 1164967606 /nfs/dbraw/zinc/96/76/06/1164967606.db2.gz VLYGRVZYAJVFFT-UHFFFAOYSA-N -1 1 293.743 1.984 20 0 CDADMM O[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001609606282 1165000313 /nfs/dbraw/zinc/00/03/13/1165000313.db2.gz ALQDIACJQTWJPR-YFKPBYRVSA-N -1 1 286.748 1.159 20 0 CDADMM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1C[C@@H](C)[C@@H]1C ZINC001609869383 1165122329 /nfs/dbraw/zinc/12/23/29/1165122329.db2.gz XPJJPMCJQNAGHH-WOPDTQHZSA-N -1 1 290.363 1.730 20 0 CDADMM CN1CCN(C(=O)c2ccoc2Cl)C[C@H](C(=O)[O-])C1 ZINC001610137710 1165231752 /nfs/dbraw/zinc/23/17/52/1165231752.db2.gz YMYREDCANLDUKI-MRVPVSSYSA-N -1 1 286.715 1.021 20 0 CDADMM Cc1cc(CN2[C@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)on1 ZINC001610462688 1165323476 /nfs/dbraw/zinc/32/34/76/1165323476.db2.gz YVYIJUHAEOAOMJ-IXOXFDKPSA-N -1 1 280.324 1.578 20 0 CDADMM Cc1ccc(CN2CCC[C@@H](O)[C@H]2C(=O)[O-])cc1C ZINC001610501102 1165331190 /nfs/dbraw/zinc/33/11/90/1165331190.db2.gz WUPSXTQSBVJEBD-KGLIPLIRSA-N -1 1 263.337 1.713 20 0 CDADMM Cc1oc(-c2ccccc2)nc1CC(=O)N(C)c1nn[n-]n1 ZINC001617641807 1165603601 /nfs/dbraw/zinc/60/36/01/1165603601.db2.gz GHGJVHOEIIMMKJ-UHFFFAOYSA-N -1 1 298.306 1.369 20 0 CDADMM O=C(NCc1nncn1-c1ccccc1)c1ccc([O-])cn1 ZINC001629820536 1166164726 /nfs/dbraw/zinc/16/47/26/1166164726.db2.gz MCQFVSKMNGVQEH-UHFFFAOYSA-N -1 1 295.302 1.298 20 0 CDADMM Cc1ccccc1Oc1cnc(-c2nnn[n-]2)cn1 ZINC000095326438 1166622499 /nfs/dbraw/zinc/62/24/99/1166622499.db2.gz VOAZCQWKTDQAKQ-UHFFFAOYSA-N -1 1 254.253 1.757 20 0 CDADMM Cc1ccccc1Oc1cnc(-c2nn[n-]n2)cn1 ZINC000095326438 1166622501 /nfs/dbraw/zinc/62/25/01/1166622501.db2.gz VOAZCQWKTDQAKQ-UHFFFAOYSA-N -1 1 254.253 1.757 20 0 CDADMM O=C(c1ccc([O-])cn1)N1CCOc2ccncc21 ZINC001637518004 1166763958 /nfs/dbraw/zinc/76/39/58/1166763958.db2.gz RWVIKVXXTJULOK-UHFFFAOYSA-N -1 1 257.249 1.221 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)Cc1ncccc1F ZINC001637957212 1166807037 /nfs/dbraw/zinc/80/70/37/1166807037.db2.gz DCZQGFFETOHQIA-UHFFFAOYSA-N -1 1 250.233 1.139 20 0 CDADMM Cc1nc(CCCC(=O)Nc2c[n-][nH]c2=O)cs1 ZINC001641598146 1167122339 /nfs/dbraw/zinc/12/23/39/1167122339.db2.gz LUZHSXSXKVQJTA-UHFFFAOYSA-N -1 1 266.326 1.842 20 0 CDADMM O=C(Nc1ccccc1-c1nn[nH]n1)c1cccc([O-])c1F ZINC001641959357 1167148081 /nfs/dbraw/zinc/14/80/81/1167148081.db2.gz CBDNUKSPNCJRQE-UHFFFAOYSA-N -1 1 299.265 1.964 20 0 CDADMM CS(C)(=O)=NC(=O)c1nnc2ccccc2c1[O-] ZINC001643504496 1167253650 /nfs/dbraw/zinc/25/36/50/1167253650.db2.gz KNFKDAQSIWKOTQ-UHFFFAOYSA-N -1 1 265.294 1.203 20 0 CDADMM CN(C(=O)c1ccc2ccccc2n1)c1nn[n-]n1 ZINC000060239339 1167343256 /nfs/dbraw/zinc/34/32/56/1167343256.db2.gz WOFABAGJLUXPOL-UHFFFAOYSA-N -1 1 254.253 1.025 20 0 CDADMM O=C([N-][C@H]1CCOC1=O)C(F)(F)c1ccc(Cl)cc1 ZINC001646072876 1167633038 /nfs/dbraw/zinc/63/30/38/1167633038.db2.gz NRPUEVIOGWOOLV-VIFPVBQESA-N -1 1 289.665 1.864 20 0 CDADMM CCn1c(Cc2nnn[n-]2)nnc1N(C)C1CC(C)(C)C1 ZINC001646697247 1168049014 /nfs/dbraw/zinc/04/90/14/1168049014.db2.gz CAWCBFCNTHDTRU-UHFFFAOYSA-N -1 1 290.375 1.027 20 0 CDADMM CCn1c(Cc2nn[n-]n2)nnc1N(C)C1CC(C)(C)C1 ZINC001646697247 1168049017 /nfs/dbraw/zinc/04/90/17/1168049017.db2.gz CAWCBFCNTHDTRU-UHFFFAOYSA-N -1 1 290.375 1.027 20 0 CDADMM NC(=O)N1CCC[C@@H](CNc2cc(Cl)[n-]c(=O)n2)C1 ZINC001649917639 1169496176 /nfs/dbraw/zinc/49/61/76/1169496176.db2.gz JQTFLTNQBMBOHB-ZETCQYMHSA-N -1 1 285.735 1.038 20 0 CDADMM CN(CCc1cnccn1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001650014264 1169607788 /nfs/dbraw/zinc/60/77/88/1169607788.db2.gz YLKZFERKAINEJP-UHFFFAOYSA-N -1 1 299.334 1.164 20 0 CDADMM C[C@@H]([NH2+]Cc1ccc(O)c(F)c1)c1nc(C(=O)[O-])n[n-]1 ZINC001573578722 1170697379 /nfs/dbraw/zinc/69/73/79/1170697379.db2.gz LDPMNDZMFZXGAK-ZCFIWIBFSA-N -1 1 280.259 1.198 20 0 CDADMM O=C([O-])C[C@@H]1CCN(C(=O)Cc2cnc[nH]2)c2ccccc21 ZINC001574362294 1170959203 /nfs/dbraw/zinc/95/92/03/1170959203.db2.gz QBGQEPXWQIKOMF-NSHDSACASA-N -1 1 299.330 1.947 20 0 CDADMM CCN(CC)C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000070250209 1171652637 /nfs/dbraw/zinc/65/26/37/1171652637.db2.gz RSBKZJWHOOMPEN-UHFFFAOYSA-N -1 1 251.330 1.684 20 0 CDADMM CN(C(=O)c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001578927679 1172049113 /nfs/dbraw/zinc/04/91/13/1172049113.db2.gz MWBWHUZSZJUKPP-UHFFFAOYSA-N -1 1 298.281 1.677 20 0 CDADMM CN(C(=O)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578927679 1172049122 /nfs/dbraw/zinc/04/91/22/1172049122.db2.gz MWBWHUZSZJUKPP-UHFFFAOYSA-N -1 1 298.281 1.677 20 0 CDADMM COc1ncccc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001580146991 1172362472 /nfs/dbraw/zinc/36/24/72/1172362472.db2.gz QOYXNDWROYYEBC-UHFFFAOYSA-N -1 1 286.251 1.116 20 0 CDADMM COc1ncccc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001580146991 1172362478 /nfs/dbraw/zinc/36/24/78/1172362478.db2.gz QOYXNDWROYYEBC-UHFFFAOYSA-N -1 1 286.251 1.116 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cc(C)nc(C)n1 ZINC001580983829 1172577171 /nfs/dbraw/zinc/57/71/71/1172577171.db2.gz CTLSUDQJAZTFIT-UHFFFAOYSA-N -1 1 299.294 1.427 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cc(C)nc(C)n1 ZINC001580983829 1172577176 /nfs/dbraw/zinc/57/71/76/1172577176.db2.gz CTLSUDQJAZTFIT-UHFFFAOYSA-N -1 1 299.294 1.427 20 0 CDADMM Cc1ccc(CSc2nccnc2-c2nn[n-]n2)o1 ZINC001581201452 1172593455 /nfs/dbraw/zinc/59/34/55/1172593455.db2.gz FKQDDYMKXBSURY-UHFFFAOYSA-N -1 1 274.309 1.850 20 0 CDADMM Cc1ocnc1CNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001581738677 1172619562 /nfs/dbraw/zinc/61/95/62/1172619562.db2.gz VRZGLRNUVRESOJ-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1ocnc1CNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001581738677 1172619565 /nfs/dbraw/zinc/61/95/65/1172619565.db2.gz VRZGLRNUVRESOJ-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cn1cccc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001581796716 1172622898 /nfs/dbraw/zinc/62/28/98/1172622898.db2.gz SYROBMPUKWQWTK-UHFFFAOYSA-N -1 1 288.336 1.197 20 0 CDADMM CC(C(=O)OCc1ccnc(-c2nnn[n-]2)c1)=C1CCC1 ZINC001589029451 1173119984 /nfs/dbraw/zinc/11/99/84/1173119984.db2.gz ATXQXBULYRZJIR-UHFFFAOYSA-N -1 1 285.307 1.805 20 0 CDADMM CC(C(=O)OCc1ccnc(-c2nn[n-]n2)c1)=C1CCC1 ZINC001589029451 1173119987 /nfs/dbraw/zinc/11/99/87/1173119987.db2.gz ATXQXBULYRZJIR-UHFFFAOYSA-N -1 1 285.307 1.805 20 0 CDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589489792 1173149211 /nfs/dbraw/zinc/14/92/11/1173149211.db2.gz CXBNUNJTTJPIGG-OTYXRUKQSA-N -1 1 286.339 1.882 20 0 CDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589489792 1173149216 /nfs/dbraw/zinc/14/92/16/1173149216.db2.gz CXBNUNJTTJPIGG-OTYXRUKQSA-N -1 1 286.339 1.882 20 0 CDADMM CC(C)CCSCC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001589607509 1173161938 /nfs/dbraw/zinc/16/19/38/1173161938.db2.gz LYURVQAVGDSMOA-UHFFFAOYSA-N -1 1 295.372 1.308 20 0 CDADMM CC(C)CCSCC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001589607509 1173161942 /nfs/dbraw/zinc/16/19/42/1173161942.db2.gz LYURVQAVGDSMOA-UHFFFAOYSA-N -1 1 295.372 1.308 20 0 CDADMM CC(C)N(C(=O)c1ccnc(-c2nnn[n-]2)c1)C(C)C ZINC001589672748 1173168899 /nfs/dbraw/zinc/16/88/99/1173168899.db2.gz BTSOKHISFRDLCF-UHFFFAOYSA-N -1 1 274.328 1.521 20 0 CDADMM CC(C)N(C(=O)c1ccnc(-c2nn[n-]n2)c1)C(C)C ZINC001589672748 1173168902 /nfs/dbraw/zinc/16/89/02/1173168902.db2.gz BTSOKHISFRDLCF-UHFFFAOYSA-N -1 1 274.328 1.521 20 0 CDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)CC(F)(F)F ZINC001589880650 1173193827 /nfs/dbraw/zinc/19/38/27/1173193827.db2.gz LDEUMBVVYQXYPE-LURJTMIESA-N -1 1 287.249 1.657 20 0 CDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)CC(F)(F)F ZINC001589880650 1173193832 /nfs/dbraw/zinc/19/38/32/1173193832.db2.gz LDEUMBVVYQXYPE-LURJTMIESA-N -1 1 287.249 1.657 20 0 CDADMM C[C@@H](CNC(=O)c1coc(-c2nnn[n-]2)c1)c1ccncc1 ZINC001589868939 1173194210 /nfs/dbraw/zinc/19/42/10/1173194210.db2.gz AQUTWNCIGDWJTH-VIFPVBQESA-N -1 1 298.306 1.388 20 0 CDADMM C[C@@H](CNC(=O)c1coc(-c2nn[n-]n2)c1)c1ccncc1 ZINC001589868939 1173194216 /nfs/dbraw/zinc/19/42/16/1173194216.db2.gz AQUTWNCIGDWJTH-VIFPVBQESA-N -1 1 298.306 1.388 20 0 CDADMM C[C@H](c1ccccc1F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001590049609 1173239166 /nfs/dbraw/zinc/23/91/66/1173239166.db2.gz IWELVLQSZWGSKH-SECBINFHSA-N -1 1 299.313 1.993 20 0 CDADMM C[C@H](c1ccccc1F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001590049609 1173239175 /nfs/dbraw/zinc/23/91/75/1173239175.db2.gz IWELVLQSZWGSKH-SECBINFHSA-N -1 1 299.313 1.993 20 0 CDADMM C[C@H](c1ccccn1)N(C)c1ccnc(-c2nnn[n-]2)c1 ZINC001590048745 1173239442 /nfs/dbraw/zinc/23/94/42/1173239442.db2.gz CLTYXHYECHGXRL-SNVBAGLBSA-N -1 1 281.323 1.854 20 0 CDADMM C[C@H](c1ccccn1)N(C)c1ccnc(-c2nn[n-]n2)c1 ZINC001590048745 1173239447 /nfs/dbraw/zinc/23/94/47/1173239447.db2.gz CLTYXHYECHGXRL-SNVBAGLBSA-N -1 1 281.323 1.854 20 0 CDADMM C[C@H](c1cccnc1)N(C)c1cc(-c2nnn[n-]2)ncn1 ZINC001590050602 1173240862 /nfs/dbraw/zinc/24/08/62/1173240862.db2.gz LUXQGBHRNSINFL-SECBINFHSA-N -1 1 282.311 1.249 20 0 CDADMM C[C@H](c1cccnc1)N(C)c1cc(-c2nn[n-]n2)ncn1 ZINC001590050602 1173240865 /nfs/dbraw/zinc/24/08/65/1173240865.db2.gz LUXQGBHRNSINFL-SECBINFHSA-N -1 1 282.311 1.249 20 0 CDADMM CC1(C)C[C@@]1(C)CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590087853 1173251422 /nfs/dbraw/zinc/25/14/22/1173251422.db2.gz ZSHZJBFLXBKTNF-AWEZNQCLSA-N -1 1 286.339 1.428 20 0 CDADMM CC1(C)C[C@@]1(C)CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590087853 1173251431 /nfs/dbraw/zinc/25/14/31/1173251431.db2.gz ZSHZJBFLXBKTNF-AWEZNQCLSA-N -1 1 286.339 1.428 20 0 CDADMM CC1(C)CC[C@@H](CNc2cccc(-c3nnn[n-]3)n2)OC1 ZINC001590090782 1173254778 /nfs/dbraw/zinc/25/47/78/1173254778.db2.gz OVDJDPSIERVAEH-JTQLQIEISA-N -1 1 288.355 1.879 20 0 CDADMM CC1(C)CC[C@@H](CNc2cccc(-c3nn[n-]n3)n2)OC1 ZINC001590090782 1173254787 /nfs/dbraw/zinc/25/47/87/1173254787.db2.gz OVDJDPSIERVAEH-JTQLQIEISA-N -1 1 288.355 1.879 20 0 CDADMM CC1=C(C)C[C@@H](C(=O)Nc2c[nH]nc2-c2nn[n-]n2)CC1 ZINC001590161668 1173278019 /nfs/dbraw/zinc/27/80/19/1173278019.db2.gz ZILIIKHESAEQCO-VIFPVBQESA-N -1 1 287.327 1.665 20 0 CDADMM CC1=NO[C@@H](CNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001590161964 1173278026 /nfs/dbraw/zinc/27/80/26/1173278026.db2.gz JAFADTRSUSUTHV-RXMQYKEDSA-N -1 1 299.747 1.553 20 0 CDADMM CC1=NO[C@@H](CNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001590161964 1173278030 /nfs/dbraw/zinc/27/80/30/1173278030.db2.gz JAFADTRSUSUTHV-RXMQYKEDSA-N -1 1 299.747 1.553 20 0 CDADMM C[C@@H]1[C@@H](C(F)(F)F)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001590168077 1173282585 /nfs/dbraw/zinc/28/25/85/1173282585.db2.gz QHCBKUWQGMBTQZ-RQJHMYQMSA-N -1 1 299.260 1.434 20 0 CDADMM C[C@@H]1[C@@H](C(F)(F)F)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001590168077 1173282589 /nfs/dbraw/zinc/28/25/89/1173282589.db2.gz QHCBKUWQGMBTQZ-RQJHMYQMSA-N -1 1 299.260 1.434 20 0 CDADMM CC1CC(CNC(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001590193295 1173288479 /nfs/dbraw/zinc/28/84/79/1173288479.db2.gz JFMIAWZIVVFUPI-UHFFFAOYSA-N -1 1 277.353 1.704 20 0 CDADMM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCS1 ZINC001590210100 1173296022 /nfs/dbraw/zinc/29/60/22/1173296022.db2.gz LWYYBHCFYHXBMG-JGVFFNPUSA-N -1 1 277.357 1.353 20 0 CDADMM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCS1 ZINC001590210100 1173296030 /nfs/dbraw/zinc/29/60/30/1173296030.db2.gz LWYYBHCFYHXBMG-JGVFFNPUSA-N -1 1 277.357 1.353 20 0 CDADMM C[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)C[C@H](C)O1 ZINC001590208964 1173296202 /nfs/dbraw/zinc/29/62/02/1173296202.db2.gz YRLVDASXZZURQL-AYMMMOKOSA-N -1 1 275.316 1.025 20 0 CDADMM C[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)C[C@H](C)O1 ZINC001590208964 1173296205 /nfs/dbraw/zinc/29/62/05/1173296205.db2.gz YRLVDASXZZURQL-AYMMMOKOSA-N -1 1 275.316 1.025 20 0 CDADMM C[C@H]1CCC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)o2)O1 ZINC001590243695 1173314096 /nfs/dbraw/zinc/31/40/96/1173314096.db2.gz PRUMIUSAPROIOW-IUCAKERBSA-N -1 1 291.311 1.147 20 0 CDADMM C[C@H]1CCC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)o2)O1 ZINC001590243695 1173314103 /nfs/dbraw/zinc/31/41/03/1173314103.db2.gz PRUMIUSAPROIOW-IUCAKERBSA-N -1 1 291.311 1.147 20 0 CDADMM C[C@H]1CCC[C@@H](Cn2cc(-c3nn[n-]n3)ccc2=O)C1 ZINC001590245230 1173318574 /nfs/dbraw/zinc/31/85/74/1173318574.db2.gz XSVWPUPKZAZCDM-WDEREUQCSA-N -1 1 273.340 1.855 20 0 CDADMM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001590251039 1173318999 /nfs/dbraw/zinc/31/89/99/1173318999.db2.gz HFBBDTHJKSHHLY-RKDXNWHRSA-N -1 1 289.343 1.745 20 0 CDADMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)ncn2)[C@H]1c1ccccc1 ZINC001590313601 1173351090 /nfs/dbraw/zinc/35/10/90/1173351090.db2.gz OCONUTZCBRXDBZ-QMTHXVAHSA-N -1 1 293.334 1.854 20 0 CDADMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)ncn2)[C@H]1c1ccccc1 ZINC001590313601 1173351097 /nfs/dbraw/zinc/35/10/97/1173351097.db2.gz OCONUTZCBRXDBZ-QMTHXVAHSA-N -1 1 293.334 1.854 20 0 CDADMM C[C@@H]1CN(c2ccnc(-c3nnn[n-]3)c2)[C@@H](C)[C@@H](C)O1 ZINC001590314482 1173351416 /nfs/dbraw/zinc/35/14/16/1173351416.db2.gz ILRGHYVVDXXXNT-KXUCPTDWSA-N -1 1 274.328 1.264 20 0 CDADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)c2)[C@@H](C)[C@@H](C)O1 ZINC001590314482 1173351426 /nfs/dbraw/zinc/35/14/26/1173351426.db2.gz ILRGHYVVDXXXNT-KXUCPTDWSA-N -1 1 274.328 1.264 20 0 CDADMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@H](C)C1(F)F ZINC001590314437 1173351444 /nfs/dbraw/zinc/35/14/44/1173351444.db2.gz HWZFKXIBRCVDEF-IUCAKERBSA-N -1 1 294.309 1.989 20 0 CDADMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@H](C)C1(F)F ZINC001590314437 1173351451 /nfs/dbraw/zinc/35/14/51/1173351451.db2.gz HWZFKXIBRCVDEF-IUCAKERBSA-N -1 1 294.309 1.989 20 0 CDADMM C[C@H]1COC[C@@H]1Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001590324537 1173358629 /nfs/dbraw/zinc/35/86/29/1173358629.db2.gz MGQNFTGIKZYLKH-XPTSAGLGSA-N -1 1 296.334 1.284 20 0 CDADMM C[C@H]1COC[C@@H]1Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001590324537 1173358635 /nfs/dbraw/zinc/35/86/35/1173358635.db2.gz MGQNFTGIKZYLKH-XPTSAGLGSA-N -1 1 296.334 1.284 20 0 CDADMM CC[C@@H](C(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccccc1 ZINC001590372332 1173379863 /nfs/dbraw/zinc/37/98/63/1173379863.db2.gz RPZQEFDKSAGKKC-SNVBAGLBSA-N -1 1 297.322 1.479 20 0 CDADMM CC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CC1(C)C ZINC001590474152 1173425017 /nfs/dbraw/zinc/42/50/17/1173425017.db2.gz ZASKJXGQTYOOTD-BDAKNGLRSA-N -1 1 273.344 1.893 20 0 CDADMM CC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CC1(C)C ZINC001590474152 1173425013 /nfs/dbraw/zinc/42/50/13/1173425013.db2.gz ZASKJXGQTYOOTD-BDAKNGLRSA-N -1 1 273.344 1.893 20 0 CDADMM CC[C@H](OC(=O)c1sccc1-c1nn[n-]n1)C(C)=O ZINC001590477233 1173426792 /nfs/dbraw/zinc/42/67/92/1173426792.db2.gz GIMUMEAFDWCUDS-QMMMGPOBSA-N -1 1 280.309 1.453 20 0 CDADMM CC[C@@H]1CCN(c2ccc(C)nc2-c2nnn[n-]2)C1 ZINC001590514771 1173446285 /nfs/dbraw/zinc/44/62/85/1173446285.db2.gz MVVUMEAXCIGCJB-SNVBAGLBSA-N -1 1 258.329 1.806 20 0 CDADMM CC[C@@H]1CCN(c2ccc(C)nc2-c2nn[n-]n2)C1 ZINC001590514771 1173446289 /nfs/dbraw/zinc/44/62/89/1173446289.db2.gz MVVUMEAXCIGCJB-SNVBAGLBSA-N -1 1 258.329 1.806 20 0 CDADMM CC[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001590515072 1173446367 /nfs/dbraw/zinc/44/63/67/1173446367.db2.gz VIPFCZMKJPMZBO-NXEZZACHSA-N -1 1 258.329 1.887 20 0 CDADMM CCCCCOC1CN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590597065 1173471564 /nfs/dbraw/zinc/47/15/64/1173471564.db2.gz DPMYGXJOCJXSMT-UHFFFAOYSA-N -1 1 289.343 1.052 20 0 CDADMM CCCCn1ncc(Nc2ccnc(-c3nn[n-]n3)n2)c1C ZINC001590615926 1173475538 /nfs/dbraw/zinc/47/55/38/1173475538.db2.gz ICMOHMIYMSGALT-UHFFFAOYSA-N -1 1 299.342 1.127 20 0 CDADMM CCOCCN(CC)c1ccc(C)c(-c2nnn[n-]2)n1 ZINC001590813028 1173519758 /nfs/dbraw/zinc/51/97/58/1173519758.db2.gz ZVZGHGSHMDDJDW-UHFFFAOYSA-N -1 1 276.344 1.433 20 0 CDADMM CCOCCN(CC)c1ccc(C)c(-c2nn[n-]n2)n1 ZINC001590813028 1173519762 /nfs/dbraw/zinc/51/97/62/1173519762.db2.gz ZVZGHGSHMDDJDW-UHFFFAOYSA-N -1 1 276.344 1.433 20 0 CDADMM CCSCCOC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001590853679 1173528819 /nfs/dbraw/zinc/52/88/19/1173528819.db2.gz WEKJRZSVDSLZJK-UHFFFAOYSA-N -1 1 284.366 1.838 20 0 CDADMM CCSCCOC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590853679 1173528825 /nfs/dbraw/zinc/52/88/25/1173528825.db2.gz WEKJRZSVDSLZJK-UHFFFAOYSA-N -1 1 284.366 1.838 20 0 CDADMM CC[C@@H]1C[C@H]1Cn1cc(C)cc(-c2nn[n-]n2)c1=O ZINC001590860645 1173530950 /nfs/dbraw/zinc/53/09/50/1173530950.db2.gz VMRLBAUPSOZDIC-ZJUUUORDSA-N -1 1 259.313 1.383 20 0 CDADMM CC[C@@H]1C[C@H]1Cn1ccc(C)c(-c2nn[n-]n2)c1=O ZINC001590860047 1173531927 /nfs/dbraw/zinc/53/19/27/1173531927.db2.gz GMLBVQUZINCVAY-ZJUUUORDSA-N -1 1 259.313 1.383 20 0 CDADMM CCc1cnccc1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590901999 1173538029 /nfs/dbraw/zinc/53/80/29/1173538029.db2.gz QAUGHQPWOKBHON-UHFFFAOYSA-N -1 1 296.338 1.535 20 0 CDADMM CCc1cnccc1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590901999 1173538035 /nfs/dbraw/zinc/53/80/35/1173538035.db2.gz QAUGHQPWOKBHON-UHFFFAOYSA-N -1 1 296.338 1.535 20 0 CDADMM CCc1nc(NCC[C@H](C)F)cc(-c2nnn[n-]2)n1 ZINC001590919217 1173544386 /nfs/dbraw/zinc/54/43/86/1173544386.db2.gz FVHIIVDTFQRAAN-ZETCQYMHSA-N -1 1 265.296 1.379 20 0 CDADMM CCc1nc(NCC[C@H](C)F)cc(-c2nn[n-]n2)n1 ZINC001590919217 1173544389 /nfs/dbraw/zinc/54/43/89/1173544389.db2.gz FVHIIVDTFQRAAN-ZETCQYMHSA-N -1 1 265.296 1.379 20 0 CDADMM C[NH+](C)C1(C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001591007720 1173561156 /nfs/dbraw/zinc/56/11/56/1173561156.db2.gz XBTKWRGNZUZLOM-UHFFFAOYSA-N -1 1 290.302 1.039 20 0 CDADMM CNc1ccccc1C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001591223849 1173592751 /nfs/dbraw/zinc/59/27/51/1173592751.db2.gz NREFOUJJFOESAU-UHFFFAOYSA-N -1 1 298.310 1.192 20 0 CDADMM COC(=O)c1ccc(NCC(C)(C)F)c(-c2nnn[n-]2)n1 ZINC001591295476 1173599680 /nfs/dbraw/zinc/59/96/80/1173599680.db2.gz IBQGEKFBDGGTSU-UHFFFAOYSA-N -1 1 294.290 1.208 20 0 CDADMM COC(=O)c1ccc(NCC(C)(C)F)c(-c2nn[n-]n2)n1 ZINC001591295476 1173599686 /nfs/dbraw/zinc/59/96/86/1173599686.db2.gz IBQGEKFBDGGTSU-UHFFFAOYSA-N -1 1 294.290 1.208 20 0 CDADMM COC(=O)c1cccc(Oc2ncccc2-c2nn[n-]n2)c1 ZINC001591303423 1173600030 /nfs/dbraw/zinc/60/00/30/1173600030.db2.gz WIIDIHURFYRKIB-UHFFFAOYSA-N -1 1 297.274 1.841 20 0 CDADMM COC(C)(C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001591314336 1173601183 /nfs/dbraw/zinc/60/11/83/1173601183.db2.gz NHODNEZAERHHRZ-UHFFFAOYSA-N -1 1 268.346 1.469 20 0 CDADMM COC1(CCNc2cc(-c3nnn[n-]3)ncn2)CCC1 ZINC001591341016 1173620675 /nfs/dbraw/zinc/62/06/75/1173620675.db2.gz ICIRZWKPZRDAQN-UHFFFAOYSA-N -1 1 275.316 1.028 20 0 CDADMM COC1(CCNc2cc(-c3nn[n-]n3)ncn2)CCC1 ZINC001591341016 1173620678 /nfs/dbraw/zinc/62/06/78/1173620678.db2.gz ICIRZWKPZRDAQN-UHFFFAOYSA-N -1 1 275.316 1.028 20 0 CDADMM CO[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC001591357131 1173628368 /nfs/dbraw/zinc/62/83/68/1173628368.db2.gz DYRBHYJMNUJTGY-GXSJLCMTSA-N -1 1 274.328 1.265 20 0 CDADMM CO[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC001591357131 1173628372 /nfs/dbraw/zinc/62/83/72/1173628372.db2.gz DYRBHYJMNUJTGY-GXSJLCMTSA-N -1 1 274.328 1.265 20 0 CDADMM COc1c(-c2nn[n-]n2)ccc(=O)n1CCC(C)C ZINC001591473378 1173658130 /nfs/dbraw/zinc/65/81/30/1173658130.db2.gz CKWUSXFSHGUGRK-UHFFFAOYSA-N -1 1 263.301 1.083 20 0 CDADMM CS[C@H](C)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001591687627 1173679531 /nfs/dbraw/zinc/67/95/31/1173679531.db2.gz KVCGGFMTLKDMBA-RXMQYKEDSA-N -1 1 284.370 1.322 20 0 CDADMM CS[C@H](C)C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001591687627 1173679535 /nfs/dbraw/zinc/67/95/35/1173679535.db2.gz KVCGGFMTLKDMBA-RXMQYKEDSA-N -1 1 284.370 1.322 20 0 CDADMM CS[C@@H](C)CC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001591688691 1173679599 /nfs/dbraw/zinc/67/95/99/1173679599.db2.gz RMNQBTKOMMLLAV-QMMMGPOBSA-N -1 1 292.368 1.020 20 0 CDADMM CS[C@@H](C)CC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001591688691 1173679602 /nfs/dbraw/zinc/67/96/02/1173679602.db2.gz RMNQBTKOMMLLAV-QMMMGPOBSA-N -1 1 292.368 1.020 20 0 CDADMM C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)C1CCC1 ZINC001591733046 1173693801 /nfs/dbraw/zinc/69/38/01/1173693801.db2.gz XWKBHKSAJCKYMN-MRVPVSSYSA-N -1 1 273.296 1.607 20 0 CDADMM C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)C1CCC1 ZINC001591733046 1173693806 /nfs/dbraw/zinc/69/38/06/1173693806.db2.gz XWKBHKSAJCKYMN-MRVPVSSYSA-N -1 1 273.296 1.607 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H](C)C(C)(C)C)n1 ZINC001591883174 1173734821 /nfs/dbraw/zinc/73/48/21/1173734821.db2.gz XYJDMGCIGOUJGC-VIFPVBQESA-N -1 1 275.360 1.836 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H](C)C(C)(C)C)n1 ZINC001591883174 1173734827 /nfs/dbraw/zinc/73/48/27/1173734827.db2.gz XYJDMGCIGOUJGC-VIFPVBQESA-N -1 1 275.360 1.836 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@]3(CC3(F)F)C2)n1 ZINC001591887028 1173738209 /nfs/dbraw/zinc/73/82/09/1173738209.db2.gz WEQYXIAUHUQSBW-NSHDSACASA-N -1 1 293.281 1.201 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@]3(CC3(F)F)C2)n1 ZINC001591887028 1173738213 /nfs/dbraw/zinc/73/82/13/1173738213.db2.gz WEQYXIAUHUQSBW-NSHDSACASA-N -1 1 293.281 1.201 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](C3CCC3)C2)n1 ZINC001591884844 1173739202 /nfs/dbraw/zinc/73/92/02/1173739202.db2.gz CXQCLFLNHLXDSE-NSHDSACASA-N -1 1 285.355 1.592 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](C3CCC3)C2)n1 ZINC001591884844 1173739206 /nfs/dbraw/zinc/73/92/06/1173739206.db2.gz CXQCLFLNHLXDSE-NSHDSACASA-N -1 1 285.355 1.592 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001591892602 1173742209 /nfs/dbraw/zinc/74/22/09/1173742209.db2.gz VOZMNRIQPGUAOS-ILWJIGKKSA-N -1 1 289.343 1.333 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001591892602 1173742216 /nfs/dbraw/zinc/74/22/16/1173742216.db2.gz VOZMNRIQPGUAOS-ILWJIGKKSA-N -1 1 289.343 1.333 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCC[C@@H]2C)n1 ZINC001591893061 1173742734 /nfs/dbraw/zinc/74/27/34/1173742734.db2.gz YOYXOPQKQPOGBX-WPRPVWTQSA-N -1 1 273.344 1.956 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCC[C@@H]2C)n1 ZINC001591893061 1173742729 /nfs/dbraw/zinc/74/27/29/1173742729.db2.gz YOYXOPQKQPOGBX-WPRPVWTQSA-N -1 1 273.344 1.956 20 0 CDADMM Cc1cc(N[C@H](CCO)C2CC2)nc(-c2nnn[n-]2)c1 ZINC001592033671 1173775938 /nfs/dbraw/zinc/77/59/38/1173775938.db2.gz DKLDYUKCLZJLJK-SNVBAGLBSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cc(N[C@H](CCO)C2CC2)nc(-c2nn[n-]n2)c1 ZINC001592033671 1173775941 /nfs/dbraw/zinc/77/59/41/1173775941.db2.gz DKLDYUKCLZJLJK-SNVBAGLBSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cc(N[C@@H](C)C[C@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001592032736 1173777649 /nfs/dbraw/zinc/77/76/49/1173777649.db2.gz AFHHQMWHPFMZEA-GXSJLCMTSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(N[C@@H](C)C[C@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001592032736 1173777655 /nfs/dbraw/zinc/77/76/55/1173777655.db2.gz AFHHQMWHPFMZEA-GXSJLCMTSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(F)cc1Oc1cc(-c2nnn[n-]2)ncn1 ZINC001592173256 1173821351 /nfs/dbraw/zinc/82/13/51/1173821351.db2.gz GZDOMGNSMSQTNA-UHFFFAOYSA-N -1 1 272.243 1.897 20 0 CDADMM Cc1ccc(F)cc1Oc1cc(-c2nn[n-]n2)ncn1 ZINC001592173256 1173821354 /nfs/dbraw/zinc/82/13/54/1173821354.db2.gz GZDOMGNSMSQTNA-UHFFFAOYSA-N -1 1 272.243 1.897 20 0 CDADMM Cc1ccc(N2CCc3ncsc3C2)nc1-c1nnn[n-]1 ZINC001592177367 1173825792 /nfs/dbraw/zinc/82/57/92/1173825792.db2.gz QSDCIRTUVWNDDU-UHFFFAOYSA-N -1 1 299.363 1.589 20 0 CDADMM Cc1ccc(N2CCc3ncsc3C2)nc1-c1nn[n-]n1 ZINC001592177367 1173825797 /nfs/dbraw/zinc/82/57/97/1173825797.db2.gz QSDCIRTUVWNDDU-UHFFFAOYSA-N -1 1 299.363 1.589 20 0 CDADMM Cc1ccc(N[C@@H](CO)CCC(C)C)nc1-c1nnn[n-]1 ZINC001592183827 1173827990 /nfs/dbraw/zinc/82/79/90/1173827990.db2.gz KJSVAFXYMHFZDP-LLVKDONJSA-N -1 1 290.371 1.779 20 0 CDADMM Cc1ccc(N[C@@H](CO)CCC(C)C)nc1-c1nn[n-]n1 ZINC001592183827 1173827991 /nfs/dbraw/zinc/82/79/91/1173827991.db2.gz KJSVAFXYMHFZDP-LLVKDONJSA-N -1 1 290.371 1.779 20 0 CDADMM Cc1ccc(N[C@@H]2COC3(CCC3)C2)nc1-c1nnn[n-]1 ZINC001592184969 1173831488 /nfs/dbraw/zinc/83/14/88/1173831488.db2.gz ZCQAODLMUHZCRF-JTQLQIEISA-N -1 1 286.339 1.694 20 0 CDADMM Cc1ccc(N[C@@H]2COC3(CCC3)C2)nc1-c1nn[n-]n1 ZINC001592184969 1173831496 /nfs/dbraw/zinc/83/14/96/1173831496.db2.gz ZCQAODLMUHZCRF-JTQLQIEISA-N -1 1 286.339 1.694 20 0 CDADMM Cc1cccc(CCNc2nc(C)cc(-c3nnn[n-]3)n2)n1 ZINC001592229328 1173834264 /nfs/dbraw/zinc/83/42/64/1173834264.db2.gz DXIWPAACCRTENL-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1cccc(CCNc2nc(C)cc(-c3nn[n-]n3)n2)n1 ZINC001592229328 1173834269 /nfs/dbraw/zinc/83/42/69/1173834269.db2.gz DXIWPAACCRTENL-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1nc(C)c(CNc2ncncc2-c2nn[n-]n2)s1 ZINC001592357187 1173868068 /nfs/dbraw/zinc/86/80/68/1173868068.db2.gz GTNAJNZWHKNMCB-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCOC1CCC1 ZINC001592503785 1173907994 /nfs/dbraw/zinc/90/79/94/1173907994.db2.gz MKTCVZUVJDPRPE-UHFFFAOYSA-N -1 1 292.295 1.494 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCOC1CCC1 ZINC001592503785 1173907999 /nfs/dbraw/zinc/90/79/99/1173907999.db2.gz MKTCVZUVJDPRPE-UHFFFAOYSA-N -1 1 292.295 1.494 20 0 CDADMM Clc1ccc(/C=C\Cn2cc(-c3nn[n-]n3)nn2)cc1 ZINC001592527776 1173912549 /nfs/dbraw/zinc/91/25/49/1173912549.db2.gz KCJMGHTTYXBKNN-UPHRSURJSA-N -1 1 287.714 1.825 20 0 CDADMM Cn1cncc1CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001592590098 1173925228 /nfs/dbraw/zinc/92/52/28/1173925228.db2.gz KGJACNMQXVGJAD-UHFFFAOYSA-N -1 1 296.747 1.322 20 0 CDADMM Fc1ccc2c(c1)OCCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001592653598 1173955398 /nfs/dbraw/zinc/95/53/98/1173955398.db2.gz DOTBEXFRFRDQAG-UHFFFAOYSA-N -1 1 299.269 1.326 20 0 CDADMM Fc1ccc2c(c1)OCCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001592653598 1173955402 /nfs/dbraw/zinc/95/54/02/1173955402.db2.gz DOTBEXFRFRDQAG-UHFFFAOYSA-N -1 1 299.269 1.326 20 0 CDADMM O=C([O-])[C@H]1C=C[C@@H]([NH2+]Cc2csc(-c3nn[n-]n3)c2)C1 ZINC001593272508 1174046655 /nfs/dbraw/zinc/04/66/55/1174046655.db2.gz BXHMMPXCQXXMOD-DTWKUNHWSA-N -1 1 291.336 1.047 20 0 CDADMM O=C(OCc1nccs1)c1cccc(-c2nnn[n-]2)n1 ZINC001593306671 1174059863 /nfs/dbraw/zinc/05/98/63/1174059863.db2.gz XKIOMFCBZLFGRQ-UHFFFAOYSA-N -1 1 288.292 1.075 20 0 CDADMM O=C(OCc1nccs1)c1cccc(-c2nn[n-]n2)n1 ZINC001593306671 1174059871 /nfs/dbraw/zinc/05/98/71/1174059871.db2.gz XKIOMFCBZLFGRQ-UHFFFAOYSA-N -1 1 288.292 1.075 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@@H]1C1CCCC1 ZINC001593340270 1174068423 /nfs/dbraw/zinc/06/84/23/1174068423.db2.gz IPEGAPKOGNRTIB-SNVBAGLBSA-N -1 1 287.323 1.864 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@@H]1C1CCCC1 ZINC001593340270 1174068431 /nfs/dbraw/zinc/06/84/31/1174068431.db2.gz IPEGAPKOGNRTIB-SNVBAGLBSA-N -1 1 287.323 1.864 20 0 CDADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1CCF ZINC001593495157 1174087501 /nfs/dbraw/zinc/08/75/01/1174087501.db2.gz WKGLVULXJYDHJZ-UHFFFAOYSA-N -1 1 259.244 1.151 20 0 CDADMM Oc1ccccc1CCNc1ncncc1-c1nn[n-]n1 ZINC001593540003 1174112078 /nfs/dbraw/zinc/11/20/78/1174112078.db2.gz LQJKIPHQIPNEMX-UHFFFAOYSA-N -1 1 283.295 1.017 20 0 CDADMM c1cc([C@H]2CCCN(c3ccnc(-c4nn[n-]n4)c3)C2)n[nH]1 ZINC001593551290 1174124264 /nfs/dbraw/zinc/12/42/64/1174124264.db2.gz GGDMMKZAFPBMMF-JTQLQIEISA-N -1 1 296.338 1.369 20 0 CDADMM c1cc(N[C@H]2COC3(CCC3)C2)nc(-c2nnn[n-]2)c1 ZINC001593559483 1174135825 /nfs/dbraw/zinc/13/58/25/1174135825.db2.gz ZIZBSXFMZIEQBE-SECBINFHSA-N -1 1 272.312 1.385 20 0 CDADMM c1cc(N[C@H]2COC3(CCC3)C2)nc(-c2nn[n-]n2)c1 ZINC001593559483 1174135827 /nfs/dbraw/zinc/13/58/27/1174135827.db2.gz ZIZBSXFMZIEQBE-SECBINFHSA-N -1 1 272.312 1.385 20 0 CDADMM c1ccc2c(c1)CON(c1ncncc1-c1nnn[n-]1)C2 ZINC001593579623 1174144314 /nfs/dbraw/zinc/14/43/14/1174144314.db2.gz LWMMZRSTSIVKRL-UHFFFAOYSA-N -1 1 281.279 1.109 20 0 CDADMM c1ccc2c(c1)CON(c1ncncc1-c1nn[n-]n1)C2 ZINC001593579623 1174144319 /nfs/dbraw/zinc/14/43/19/1174144319.db2.gz LWMMZRSTSIVKRL-UHFFFAOYSA-N -1 1 281.279 1.109 20 0 CDADMM c1coc(C2CCN(c3ncncc3-c3nn[n-]n3)CC2)c1 ZINC001593589573 1174155013 /nfs/dbraw/zinc/15/50/13/1174155013.db2.gz DJSPTJUVAGNYBE-UHFFFAOYSA-N -1 1 297.322 1.634 20 0 CDADMM Cc1c([C@@H](C)NCc2cncc(C(=O)[O-])c2)cnn1C ZINC001600007890 1174337809 /nfs/dbraw/zinc/33/78/09/1174337809.db2.gz NLUZOEWSCSBTFW-SECBINFHSA-N -1 1 274.324 1.673 20 0 CDADMM Cc1c(NC(=O)N2CCNCC2)ccc(F)c1C(=O)[O-] ZINC001600036979 1174344337 /nfs/dbraw/zinc/34/43/37/1174344337.db2.gz FTUKPSTYNKHQAH-UHFFFAOYSA-N -1 1 281.287 1.269 20 0 CDADMM Cc1cc(C(=O)[O-])oc1C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC001600129030 1174370788 /nfs/dbraw/zinc/37/07/88/1174370788.db2.gz FODBWEQAPVPSAG-DTORHVGOSA-N -1 1 266.297 1.109 20 0 CDADMM Cc1cc([C@H](C)N(C)CC(C)(CO)CO)oc1C(=O)[O-] ZINC001600140194 1174377643 /nfs/dbraw/zinc/37/76/43/1174377643.db2.gz SJMLBASSIVOVOE-JTQLQIEISA-N -1 1 285.340 1.270 20 0 CDADMM Cc1ccc(C[C@H](SCc2nn[nH]n2)C(=O)[O-])cc1 ZINC001600404115 1174464188 /nfs/dbraw/zinc/46/41/88/1174464188.db2.gz MRMYHHSWSDJGER-JTQLQIEISA-N -1 1 278.337 1.437 20 0 CDADMM C[C@H]1CCC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC000095254207 1174519872 /nfs/dbraw/zinc/51/98/72/1174519872.db2.gz RAVBDUSNOABXHP-VHSXEESVSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@H]1CCC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC000095254207 1174519879 /nfs/dbraw/zinc/51/98/79/1174519879.db2.gz RAVBDUSNOABXHP-VHSXEESVSA-N -1 1 273.344 1.672 20 0 CDADMM Cc1cnc(CCN2CC[C@](F)(C(=O)[O-])C2)c(C)c1 ZINC001600620040 1174532365 /nfs/dbraw/zinc/53/23/65/1174532365.db2.gz VMWBVECFDSCVIE-CQSZACIVSA-N -1 1 266.316 1.740 20 0 CDADMM Cc1coc(CN[C@@H](C[C@@H]2CCCOC2)C(=O)[O-])c1 ZINC001600644410 1174549093 /nfs/dbraw/zinc/54/90/93/1174549093.db2.gz OTEZSNXYGGOVLY-AAEUAGOBSA-N -1 1 267.325 1.948 20 0 CDADMM Cc1oc(C(=O)[O-])cc1C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC001600824240 1174630803 /nfs/dbraw/zinc/63/08/03/1174630803.db2.gz IQHKALZCPYTEHC-GFCCVEGCSA-N -1 1 294.351 1.698 20 0 CDADMM Cn1c(CNCc2cccc3c2OCO3)ccc1C(=O)[O-] ZINC001600916377 1174663133 /nfs/dbraw/zinc/66/31/33/1174663133.db2.gz QXYLPFARRILALI-UHFFFAOYSA-N -1 1 288.303 1.742 20 0 CDADMM Cn1cccc1C(=O)CN1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC001600978946 1174690205 /nfs/dbraw/zinc/69/02/05/1174690205.db2.gz YWVFDIKEXFAYRL-YGRLFVJLSA-N -1 1 262.309 1.147 20 0 CDADMM O=C([O-])c1c[nH]c2cc(NC(=O)CCc3nc[nH]n3)ccc12 ZINC001601296554 1174827771 /nfs/dbraw/zinc/82/77/71/1174827771.db2.gz KEQYOXRQMZDJFD-UHFFFAOYSA-N -1 1 299.290 1.556 20 0 CDADMM O=C([O-])[C@@H](CNC(=O)[C@@H]1CSCN1)C1CCCCC1 ZINC001601450546 1174874901 /nfs/dbraw/zinc/87/49/01/1174874901.db2.gz NCOQFNIZWUJQEA-QWRGUYRKSA-N -1 1 286.397 1.046 20 0 CDADMM O=C([O-])[C@H](Sc1c[nH]nn1)c1ccc(F)cc1 ZINC001601692068 1174947580 /nfs/dbraw/zinc/94/75/80/1174947580.db2.gz UUWUERVZDOFBLO-SECBINFHSA-N -1 1 253.258 1.862 20 0 CDADMM O=C([O-])[C@]1(C(=O)NCCN2CCC2)C[C@H]1c1ccccc1 ZINC001601700879 1174954420 /nfs/dbraw/zinc/95/44/20/1174954420.db2.gz OGTKAVCVSIICBY-XJKSGUPXSA-N -1 1 288.347 1.067 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)CN(C[C@H](O)c2cccc(Cl)c2)C1 ZINC001601770822 1174996829 /nfs/dbraw/zinc/99/68/29/1174996829.db2.gz ZMFXTIOUZVADIF-RTXFEEFZSA-N -1 1 299.754 1.141 20 0 CDADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1ccco1)C[C@@H]2C(=O)[O-] ZINC001601780533 1175004468 /nfs/dbraw/zinc/00/44/68/1175004468.db2.gz KMFBYBKCAALUIK-GOSTWBGLSA-N -1 1 279.292 1.277 20 0 CDADMM O=C([O-])CC(=O)Nc1nc2cccc(Br)c2[nH]1 ZINC001601888765 1175053456 /nfs/dbraw/zinc/05/34/56/1175053456.db2.gz KRBUXMNLZLHRFU-UHFFFAOYSA-N -1 1 298.096 1.739 20 0 CDADMM O=C([O-])CC1CC(OC(=O)c2ccc3cncn3c2)C1 ZINC001601947459 1175080347 /nfs/dbraw/zinc/08/03/47/1175080347.db2.gz PPGOTBUQPBZLOV-UHFFFAOYSA-N -1 1 274.276 1.744 20 0 CDADMM O=C([O-])CCCN1CCC([NH2+][C@@H]2CCC[C@@H]2C(=O)[O-])CC1 ZINC001601990753 1175100008 /nfs/dbraw/zinc/10/00/08/1175100008.db2.gz JWJSBACYIQFHIE-QWHCGFSZSA-N -1 1 298.383 1.159 20 0 CDADMM O=C([O-])c1cc(CNCC[C@H](O)c2ccccc2)on1 ZINC001602258628 1175185979 /nfs/dbraw/zinc/18/59/79/1175185979.db2.gz YCASKBMWHZHGQL-ZDUSSCGKSA-N -1 1 276.292 1.586 20 0 CDADMM O=C([O-])c1cc(CN[C@H]2CCN(CC(F)(F)F)C2)on1 ZINC001602258124 1175186023 /nfs/dbraw/zinc/18/60/23/1175186023.db2.gz DGVGRRNBELTUPN-ZETCQYMHSA-N -1 1 293.245 1.099 20 0 CDADMM O=C([O-])c1ccc(NC(=O)[C@@H]2CCCN2C2CC2)cc1O ZINC001602374839 1175227616 /nfs/dbraw/zinc/22/76/16/1175227616.db2.gz OSLFEFOZRVQNIL-LBPRGKRZSA-N -1 1 290.319 1.656 20 0 CDADMM O=C([O-])c1ccc2c(c1)CCN(C(=O)Cc1ccn[nH]1)C2 ZINC001602416930 1175233629 /nfs/dbraw/zinc/23/36/29/1175233629.db2.gz ZKUSYCVLFLGMEW-UHFFFAOYSA-N -1 1 285.303 1.235 20 0 CDADMM O=C([O-])c1cnc(CN2CCC3(CCOCC3)CC2)cn1 ZINC001602518459 1175265560 /nfs/dbraw/zinc/26/55/60/1175265560.db2.gz FTEPDSICNGDUQE-UHFFFAOYSA-N -1 1 291.351 1.567 20 0 CDADMM O=C([O-])c1cnc(CN[C@H]2CCC[N@@H+]3CCCC[C@H]23)s1 ZINC001602521348 1175271310 /nfs/dbraw/zinc/27/13/10/1175271310.db2.gz PQWHQFHYGKYQGG-WDEREUQCSA-N -1 1 295.408 1.948 20 0 CDADMM O=C([O-])c1cncc(-n2cc([C@H]3CCCCN3)nn2)c1 ZINC001602533387 1175276679 /nfs/dbraw/zinc/27/66/79/1175276679.db2.gz ADIZKAUZFGNGGX-LLVKDONJSA-N -1 1 273.296 1.175 20 0 CDADMM O=C([O-])c1occc1CNCc1cnn(CCF)c1 ZINC001602591140 1175313128 /nfs/dbraw/zinc/31/31/28/1175313128.db2.gz SYDJXQYPJVEMGF-UHFFFAOYSA-N -1 1 267.260 1.434 20 0 CDADMM C/C(=C/C(=O)[O-])CN1CCN(c2cc(C)ccn2)CC1 ZINC001602957996 1175458835 /nfs/dbraw/zinc/45/88/35/1175458835.db2.gz MDSLOYYANRLDKV-RAXLEYEMSA-N -1 1 275.352 1.543 20 0 CDADMM C/C(=C\C(=O)[O-])CN1CCCN(C(=O)OCC(C)C)CC1 ZINC001602958792 1175461867 /nfs/dbraw/zinc/46/18/67/1175461867.db2.gz YNGBLAKWHXCORW-UKTHLTGXSA-N -1 1 298.383 1.818 20 0 CDADMM C/C(=C/C[N@H+](C)Cc1nc(=O)c2sccc2[n-]1)C(=O)[O-] ZINC001602962984 1175463163 /nfs/dbraw/zinc/46/31/63/1175463163.db2.gz RSSHYODHKBUANR-BAQGIRSFSA-N -1 1 293.348 1.860 20 0 CDADMM C[C@@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1ccco1 ZINC001603019809 1175478276 /nfs/dbraw/zinc/47/82/76/1175478276.db2.gz RIQNLGJNJNQPHO-SECBINFHSA-N -1 1 298.306 1.275 20 0 CDADMM C[C@@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1ccco1 ZINC001603019809 1175478282 /nfs/dbraw/zinc/47/82/82/1175478282.db2.gz RIQNLGJNJNQPHO-SECBINFHSA-N -1 1 298.306 1.275 20 0 CDADMM C[C@@H](C(=O)[O-])N(C(=O)CCCCc1c[nH]nn1)C1CCC1 ZINC001603196295 1175512572 /nfs/dbraw/zinc/51/25/72/1175512572.db2.gz QODCQDJPWVFWDT-JTQLQIEISA-N -1 1 294.355 1.372 20 0 CDADMM CC(C)C1(NC(=O)c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001603238757 1175521887 /nfs/dbraw/zinc/52/18/87/1175521887.db2.gz VNWSZBRBGAIYOA-UHFFFAOYSA-N -1 1 272.312 1.180 20 0 CDADMM CC(C)C1(NC(=O)c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001603238757 1175521896 /nfs/dbraw/zinc/52/18/96/1175521896.db2.gz VNWSZBRBGAIYOA-UHFFFAOYSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001603559202 1175564909 /nfs/dbraw/zinc/56/49/09/1175564909.db2.gz AEJDZZOLQCAKAM-SECBINFHSA-N -1 1 282.311 1.267 20 0 CDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001603559202 1175564916 /nfs/dbraw/zinc/56/49/16/1175564916.db2.gz AEJDZZOLQCAKAM-SECBINFHSA-N -1 1 282.311 1.267 20 0 CDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)CC(F)(F)F ZINC001603559472 1175566397 /nfs/dbraw/zinc/56/63/97/1175566397.db2.gz GHGRCCYOELZUJS-ZCFIWIBFSA-N -1 1 287.249 1.657 20 0 CDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)CC(F)(F)F ZINC001603559472 1175566404 /nfs/dbraw/zinc/56/64/04/1175566404.db2.gz GHGRCCYOELZUJS-ZCFIWIBFSA-N -1 1 287.249 1.657 20 0 CDADMM CC(C)(N)c1noc(CN2CCC[C@H](CCC(=O)[O-])C2)n1 ZINC001603669358 1175592103 /nfs/dbraw/zinc/59/21/03/1175592103.db2.gz XIGFYXDETVHLRB-SNVBAGLBSA-N -1 1 296.371 1.340 20 0 CDADMM C[C@@H](c1cccnc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001603739723 1175613993 /nfs/dbraw/zinc/61/39/93/1175613993.db2.gz WYTQEPSOASHBAH-VIFPVBQESA-N -1 1 282.311 1.249 20 0 CDADMM C[C@@H](c1cccnc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001603739723 1175614001 /nfs/dbraw/zinc/61/40/01/1175614001.db2.gz WYTQEPSOASHBAH-VIFPVBQESA-N -1 1 282.311 1.249 20 0 CDADMM CC1(C)C[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)CCO1 ZINC001603765054 1175621059 /nfs/dbraw/zinc/62/10/59/1175621059.db2.gz QXPOOBOYTJYMTP-QMMMGPOBSA-N -1 1 275.316 1.026 20 0 CDADMM CC1(C)C[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)CCO1 ZINC001603765054 1175621061 /nfs/dbraw/zinc/62/10/61/1175621061.db2.gz QXPOOBOYTJYMTP-QMMMGPOBSA-N -1 1 275.316 1.026 20 0 CDADMM CC(C)C[C@@H]1CN(C)CCN1C(=O)NCC(C)(C)C(=O)[O-] ZINC001603784739 1175629828 /nfs/dbraw/zinc/62/98/28/1175629828.db2.gz MVNREHOSIPODHO-GFCCVEGCSA-N -1 1 299.415 1.469 20 0 CDADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)C1(C)C ZINC001603787426 1175630822 /nfs/dbraw/zinc/63/08/22/1175630822.db2.gz LSXYUTXANQJHOQ-UHFFFAOYSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@]1(COC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C[C@@H]1F ZINC001603808729 1175639147 /nfs/dbraw/zinc/63/91/47/1175639147.db2.gz SUZRRPLKHOBJJG-GXFFZTMASA-N -1 1 291.286 1.096 20 0 CDADMM C[C@]1(COC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C[C@@H]1F ZINC001603808729 1175639151 /nfs/dbraw/zinc/63/91/51/1175639151.db2.gz SUZRRPLKHOBJJG-GXFFZTMASA-N -1 1 291.286 1.096 20 0 CDADMM C[C@H]1CC(C)(C)CN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603847146 1175653262 /nfs/dbraw/zinc/65/32/62/1175653262.db2.gz XNNQOADNDLCWSC-VIFPVBQESA-N -1 1 286.339 1.522 20 0 CDADMM C[C@H]1CC(C)(C)CN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603847146 1175653265 /nfs/dbraw/zinc/65/32/65/1175653265.db2.gz 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ZINC001590608436 1173474508 /nfs/dbraw/zinc/47/45/08/1173474508.db2.gz DGVADBYGIZSSCZ-MRVPVSSYSA-N -1 1 293.331 1.042 20 0 CDADMM CC[C@H]1CN(C)CCN1C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000574803064 295055636 /nfs/dbraw/zinc/05/56/36/295055636.db2.gz HNBHIYYPBHPUPM-LBPRGKRZSA-N -1 1 299.415 1.613 20 0 CDADMM CCON(C(=O)c1coc(-c2nnn[n-]2)c1)C(C)C ZINC001590818581 1173522308 /nfs/dbraw/zinc/52/23/08/1173522308.db2.gz KDZBSJGVOBNMTB-UHFFFAOYSA-N -1 1 265.273 1.262 20 0 CDADMM CCON(C(=O)c1coc(-c2nn[n-]n2)c1)C(C)C ZINC001590818581 1173522313 /nfs/dbraw/zinc/52/23/13/1173522313.db2.gz KDZBSJGVOBNMTB-UHFFFAOYSA-N -1 1 265.273 1.262 20 0 CDADMM CCSCC[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590853552 1173528396 /nfs/dbraw/zinc/52/83/96/1173528396.db2.gz PKZCXENGJFKCTL-MRVPVSSYSA-N -1 1 293.400 1.909 20 0 CDADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCCC12CCCCC2 ZINC000377858174 302864956 /nfs/dbraw/zinc/86/49/56/302864956.db2.gz WKZGRFIEBZTENN-UHFFFAOYSA-N -1 1 299.396 1.883 20 0 CDADMM C[C@H]1COC(C)(C)CN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591774708 1173699544 /nfs/dbraw/zinc/69/95/44/1173699544.db2.gz WJHLWILSTJKZLQ-QMMMGPOBSA-N -1 1 291.311 1.099 20 0 CDADMM C[C@H]1COC(C)(C)CN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591774708 1173699548 /nfs/dbraw/zinc/69/95/48/1173699548.db2.gz WJHLWILSTJKZLQ-QMMMGPOBSA-N -1 1 291.311 1.099 20 0 CDADMM CS(=O)(=O)Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350825299 316209826 /nfs/dbraw/zinc/20/98/26/316209826.db2.gz SZUCPEKMCGQIQU-UHFFFAOYSA-N -1 1 272.257 1.126 20 0 CDADMM COCCN1C(=O)C2(CC2)N[C@H]1c1cc(F)c([O-])c(F)c1 ZINC000563347578 316259408 /nfs/dbraw/zinc/25/94/08/316259408.db2.gz XRHHYYIZIVZUTH-GFCCVEGCSA-N -1 1 298.289 1.280 20 0 CDADMM C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)cc1)[NH+]1CC(C)C1 ZINC000563375026 316276764 /nfs/dbraw/zinc/27/67/64/316276764.db2.gz DTSJAYNJQUZIGA-JTQLQIEISA-N -1 1 286.339 1.145 20 0 CDADMM CCO[C@@H]1CCCC[C@H]1Nc1nc2[nH][n-]cc-2c(=O)n1 ZINC000575874480 317031538 /nfs/dbraw/zinc/03/15/38/317031538.db2.gz VZQDHGRSWQSEGW-NXEZZACHSA-N -1 1 277.328 1.192 20 0 CDADMM Cc1cccc(CN2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)n1 ZINC000575874469 317031598 /nfs/dbraw/zinc/03/15/98/317031598.db2.gz VFHQSLWRJGCOIS-LLVKDONJSA-N -1 1 273.340 1.593 20 0 CDADMM Cc1[n-][nH]c(=O)c1CCN=c1[nH]c2cccc(F)c2s1 ZINC000576226312 317099765 /nfs/dbraw/zinc/09/97/65/317099765.db2.gz VSADBFSSAAZRNY-MRVPVSSYSA-N -1 1 292.339 1.781 20 0 CDADMM Cc1cc(CSc2cccnc2-c2nnn[n-]2)ncn1 ZINC001591973453 1173763404 /nfs/dbraw/zinc/76/34/04/1173763404.db2.gz ZGMBTVUVIVDJFJ-UHFFFAOYSA-N -1 1 285.336 1.652 20 0 CDADMM Cc1cc(CSc2cccnc2-c2nn[n-]n2)ncn1 ZINC001591973453 1173763419 /nfs/dbraw/zinc/76/34/19/1173763419.db2.gz ZGMBTVUVIVDJFJ-UHFFFAOYSA-N -1 1 285.336 1.652 20 0 CDADMM Cc1ccc(N[C@@H](C)CC[S@@](C)=O)nc1-c1nnn[n-]1 ZINC001592183840 1173827875 /nfs/dbraw/zinc/82/78/75/1173827875.db2.gz KWXDKKGRNGPRPZ-GWNMQOMSSA-N -1 1 294.384 1.139 20 0 CDADMM Cc1ccc(N[C@@H](C)CC[S@@](C)=O)nc1-c1nn[n-]n1 ZINC001592183840 1173827876 /nfs/dbraw/zinc/82/78/76/1173827876.db2.gz KWXDKKGRNGPRPZ-GWNMQOMSSA-N -1 1 294.384 1.139 20 0 CDADMM C[S@](=O)C1(CNC(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000380152137 323610091 /nfs/dbraw/zinc/61/00/91/323610091.db2.gz YYQWGHVRIZUFCR-SFHVURJKSA-N -1 1 287.768 1.687 20 0 CDADMM O=C(c1ncccc1[O-])N1CCC[C@H]1[C@H]1CCCOC1 ZINC000579596671 324229915 /nfs/dbraw/zinc/22/99/15/324229915.db2.gz IJLVJDUJLMUINY-RYUDHWBXSA-N -1 1 276.336 1.818 20 0 CDADMM C[C@@H]1[C@@H](C)[S@](=O)CCN1Cc1ncccc1[O-] ZINC000579764273 324275357 /nfs/dbraw/zinc/27/53/57/324275357.db2.gz QZDJBAYLKQQJEN-VHCOLVSPSA-N -1 1 254.355 1.129 20 0 CDADMM CN(Cc1cn2c(n1)CCCC2)Cc1ncccc1[O-] ZINC000583686188 325221039 /nfs/dbraw/zinc/22/10/39/325221039.db2.gz RPQKTENPIBCXFU-UHFFFAOYSA-N -1 1 272.352 1.952 20 0 CDADMM Cc1nsc(NC(=O)[C@H]2C[C@@H]2C)c1-c1nnn[n-]1 ZINC001592479339 1173900359 /nfs/dbraw/zinc/90/03/59/1173900359.db2.gz MEHCAKPJJOHRJR-NJGYIYPDSA-N -1 1 264.314 1.226 20 0 CDADMM Cc1nsc(NC(=O)[C@H]2C[C@@H]2C)c1-c1nn[n-]n1 ZINC001592479339 1173900363 /nfs/dbraw/zinc/90/03/63/1173900363.db2.gz MEHCAKPJJOHRJR-NJGYIYPDSA-N -1 1 264.314 1.226 20 0 CDADMM Cc1nsc(NCC2(CO)CCC2)c1-c1nn[n-]n1 ZINC001592487826 1173902114 /nfs/dbraw/zinc/90/21/14/1173902114.db2.gz DYTJQCUPICXACJ-UHFFFAOYSA-N -1 1 280.357 1.206 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CCN(C(=O)C2CC2)CC1 ZINC000681016289 482657369 /nfs/dbraw/zinc/65/73/69/482657369.db2.gz LROKKIKOKSYTCQ-UHFFFAOYSA-N -1 1 292.310 1.226 20 0 CDADMM Cc1cc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)ccn1 ZINC000684127686 482658564 /nfs/dbraw/zinc/65/85/64/482658564.db2.gz NMSKEEYWYWBLDV-ZDUSSCGKSA-N -1 1 294.318 1.423 20 0 CDADMM C[C@@H](Cn1ccnc1)NC(=O)c1ccc([O-])c(F)c1 ZINC000681019540 482659325 /nfs/dbraw/zinc/65/93/25/482659325.db2.gz KIXOJTLQJZXXBD-VIFPVBQESA-N -1 1 263.272 1.546 20 0 CDADMM O=C(C(=O)N1CC(C(F)F)C1)c1ccc([O-])cc1 ZINC000673009296 482661645 /nfs/dbraw/zinc/66/16/45/482661645.db2.gz UHYHCXCCINLADH-UHFFFAOYSA-N -1 1 255.220 1.298 20 0 CDADMM O=C(N[C@@H]1CCC(F)(F)C1)C(=O)c1ccc([O-])cc1 ZINC000673008511 482661711 /nfs/dbraw/zinc/66/17/11/482661711.db2.gz CRSJHJHGJSSFOF-SECBINFHSA-N -1 1 269.247 1.879 20 0 CDADMM CC(C)N1C[C@H](NC(=O)c2ccc([O-])c(F)c2)CC1=O ZINC000681038653 482664967 /nfs/dbraw/zinc/66/49/67/482664967.db2.gz FGKGNBAYCNFURD-SNVBAGLBSA-N -1 1 280.299 1.270 20 0 CDADMM CCC[C@H](NC(=O)[C@@H]1Cc2ccc(F)cc21)c1nn[n-]n1 ZINC000684454304 482822499 /nfs/dbraw/zinc/82/24/99/482822499.db2.gz FZZCJZANNJDPGN-NEPJUHHUSA-N -1 1 289.314 1.636 20 0 CDADMM C[C@H](CN(C)C(=O)[C@H]1Cc2ccccc21)c1nn[n-]n1 ZINC000681352748 482822571 /nfs/dbraw/zinc/82/25/71/482822571.db2.gz DXWOUDGKDGSEQC-SKDRFNHKSA-N -1 1 271.324 1.102 20 0 CDADMM Cc1nncn1-c1cccc(NC(=O)c2n[nH]c(C)c2[O-])c1 ZINC000677941343 482857293 /nfs/dbraw/zinc/85/72/93/482857293.db2.gz CVBWOVGPBLUGAJ-UHFFFAOYSA-N -1 1 298.306 1.565 20 0 CDADMM Cn1[n-]c(CN2CCCCc3sccc32)nc1=O ZINC000684771852 482960302 /nfs/dbraw/zinc/96/03/02/482960302.db2.gz ILNMVMKLDDHWRL-UHFFFAOYSA-N -1 1 264.354 1.513 20 0 CDADMM Cc1noc(C2CC2)c1NC(=O)c1n[nH]c(C)c1[O-] ZINC000681068827 483059030 /nfs/dbraw/zinc/05/90/30/483059030.db2.gz RTRAIKZHMNRMSF-UHFFFAOYSA-N -1 1 262.269 1.850 20 0 CDADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C)C1CCC1 ZINC000685504718 483152195 /nfs/dbraw/zinc/15/21/95/483152195.db2.gz NQSPHJWMYGDDRZ-LURJTMIESA-N -1 1 259.331 1.032 20 0 CDADMM COC[C@@H](NC(=O)c1ccc([O-])c(F)c1)[C@@H]1CCCO1 ZINC000684092899 483204309 /nfs/dbraw/zinc/20/43/09/483204309.db2.gz XBURDFZHOPWXPO-YPMHNXCESA-N -1 1 283.299 1.455 20 0 CDADMM O=c1nc(CN2CCCCC[C@@H]2CO)[n-]c2ccsc21 ZINC000157013915 483212840 /nfs/dbraw/zinc/21/28/40/483212840.db2.gz OAIXFFVVBSVQFT-SNVBAGLBSA-N -1 1 293.392 1.722 20 0 CDADMM C[C@@H](C[C@@H]1CCOC1)NC(=O)c1cncc([O-])c1 ZINC000675415834 483300189 /nfs/dbraw/zinc/30/01/89/483300189.db2.gz KSRFTLGOUHNRLS-UWVGGRQHSA-N -1 1 250.298 1.332 20 0 CDADMM CC(C)CNC(=O)[C@H](C)S(=O)(=O)c1ccc([O-])cc1 ZINC000049489032 519740966 /nfs/dbraw/zinc/74/09/66/519740966.db2.gz TWGYFOJSOGKALM-JTQLQIEISA-N -1 1 285.365 1.327 20 0 CDADMM CC(C)C[C@@H](C)OCCC(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001649335789 1161369851 /nfs/dbraw/zinc/36/98/51/1161369851.db2.gz ORRXURBXQPEAOP-VXGBXAGGSA-N -1 1 295.387 1.357 20 0 CDADMM Cc1c(Cl)cccc1C(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000192806013 533878566 /nfs/dbraw/zinc/87/85/66/533878566.db2.gz JUADHXBIFAPILR-UHFFFAOYSA-N -1 1 294.742 1.422 20 0 CDADMM Cc1ccc2nc([C@H]3CCCN(C(=O)C(=O)[O-])C3)[nH]c2c1 ZINC000274202217 534364720 /nfs/dbraw/zinc/36/47/20/534364720.db2.gz ULJRWKOPPJOMSQ-JTQLQIEISA-N -1 1 287.319 1.662 20 0 CDADMM CC(C)c1nc(=NC[C@@H]2CCC[C@H](CO)C2)o[n-]1 ZINC000340992253 519858253 /nfs/dbraw/zinc/85/82/53/519858253.db2.gz JRCSWDHXQCZIED-MNOVXSKESA-N -1 1 253.346 1.826 20 0 CDADMM CCC[C@H](NC(=O)c1ccc(F)cn1)c1nn[n-]n1 ZINC000183483313 521143836 /nfs/dbraw/zinc/14/38/36/521143836.db2.gz UCQWVACAIYRATA-QMMMGPOBSA-N -1 1 264.264 1.005 20 0 CDADMM CCC(C)(C)N(C)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000069457327 521292342 /nfs/dbraw/zinc/29/23/42/521292342.db2.gz TWRTUSJDYVOKLU-SNVBAGLBSA-N -1 1 282.344 1.235 20 0 CDADMM CCC(CC)NC(=O)[C@@H](C)N[C@@H](C(=O)[O-])C1CC1 ZINC000054522521 521585947 /nfs/dbraw/zinc/58/59/47/521585947.db2.gz QUMQOSXPZHVRIF-LDYMZIIASA-N -1 1 256.346 1.133 20 0 CDADMM CC[C@@H](C)[C@@H](O)CNC(=O)c1c([O-])cccc1F ZINC000184507782 522320995 /nfs/dbraw/zinc/32/09/95/522320995.db2.gz KOGAYPVVKFBGLL-KCJUWKMLSA-N -1 1 255.289 1.668 20 0 CDADMM Cc1cccc(CS(=O)(=O)c2n[n-]c(C3CC3)n2)c1 ZINC000299224830 524455684 /nfs/dbraw/zinc/45/56/84/524455684.db2.gz BAJVGDLOSMYUSQ-UHFFFAOYSA-N -1 1 277.349 1.964 20 0 CDADMM O=C(NCCC[C@H]1CCCCO1)c1cncc([O-])c1 ZINC000184669469 526270592 /nfs/dbraw/zinc/27/05/92/526270592.db2.gz LBQIMXNMTRJPPX-CYBMUJFWSA-N -1 1 264.325 1.866 20 0 CDADMM O=C(NC[C@@H](CO)Cc1ccccc1)c1cncc([O-])c1 ZINC000339951185 526479478 /nfs/dbraw/zinc/47/94/78/526479478.db2.gz LRHVXRCKVPGCKB-ZDUSSCGKSA-N -1 1 286.331 1.368 20 0 CDADMM O=S(=O)([N-][C@H]1CCN(C2CC2)C1)c1sccc1F ZINC000334299428 527243153 /nfs/dbraw/zinc/24/31/53/527243153.db2.gz QVJBSIMTNHGHCC-QMMMGPOBSA-N -1 1 290.385 1.402 20 0 CDADMM C/C=C/C[C@@H](CO)NC(=O)c1cc(F)ccc1[O-] ZINC000187255256 527636092 /nfs/dbraw/zinc/63/60/92/527636092.db2.gz SEMBVDBKUFHIQK-PBKGFPTLSA-N -1 1 253.273 1.588 20 0 CDADMM CC(C)[C@H](C)CC(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000183393978 534928969 /nfs/dbraw/zinc/92/89/69/534928969.db2.gz SGGVVZKGOXHETR-ZJUUUORDSA-N -1 1 253.350 1.444 20 0 CDADMM CCC[C@H](NC(=O)c1cc(C(C)C)on1)c1nn[n-]n1 ZINC000120930373 535694802 /nfs/dbraw/zinc/69/48/02/535694802.db2.gz ULOGMPJYCUHIKJ-QMMMGPOBSA-N -1 1 278.316 1.582 20 0 CDADMM CCN(C)[C@@H](C(=O)N(C)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000262882116 535757862 /nfs/dbraw/zinc/75/78/62/535757862.db2.gz LUISNMSQJPKFGJ-WCQYABFASA-N -1 1 278.352 1.611 20 0 CDADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)C2CCC2)co1 ZINC000131118866 538718382 /nfs/dbraw/zinc/71/83/82/538718382.db2.gz WGHVUVFBFOXRNQ-QMMMGPOBSA-N -1 1 286.353 1.106 20 0 CDADMM Cc1ccc(NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)c(N(C)C)n1 ZINC001600460007 1174479425 /nfs/dbraw/zinc/47/94/25/1174479425.db2.gz XXTYPIBYXYAGOE-WPRPVWTQSA-N -1 1 285.294 1.834 20 0 CDADMM C[C@H](CCCO)NC(=O)c1cc(Cl)ccc1[O-] ZINC000094945768 1174489806 /nfs/dbraw/zinc/48/98/06/1174489806.db2.gz WZGGSHJYNULFNS-MRVPVSSYSA-N -1 1 257.717 1.936 20 0 CDADMM Cc1conc1CN1CCSC[C@H](C(=O)[O-])C1 ZINC001600645110 1174550755 /nfs/dbraw/zinc/55/07/55/1174550755.db2.gz UIDPUVCDPUSFQD-SECBINFHSA-N -1 1 256.327 1.233 20 0 CDADMM Cc1nc(CNC(=O)CCc2ccccc2C(=O)[O-])n[nH]1 ZINC001600671786 1174558535 /nfs/dbraw/zinc/55/85/35/1174558535.db2.gz YSHTYQRQRZTOBM-UHFFFAOYSA-N -1 1 288.307 1.060 20 0 CDADMM Cc1ncc(NC(=O)NCCN2CC=CC2)cc1C(=O)[O-] ZINC001600742192 1174587166 /nfs/dbraw/zinc/58/71/66/1174587166.db2.gz HUYBZXPPHWFLMI-UHFFFAOYSA-N -1 1 290.323 1.082 20 0 CDADMM Cc1oc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1C(=O)[O-] ZINC001600846055 1174641352 /nfs/dbraw/zinc/64/13/52/1174641352.db2.gz 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606561330 /nfs/dbraw/zinc/56/13/30/606561330.db2.gz NTXYKFFYDVFJBV-LBPRGKRZSA-N -1 1 293.352 1.085 20 0 CDADMM C[C@@]1(CNC(=O)c2ccc(-c3nn[n-]n3)s2)CCOC1 ZINC000820618765 606561332 /nfs/dbraw/zinc/56/13/32/606561332.db2.gz NTXYKFFYDVFJBV-LBPRGKRZSA-N -1 1 293.352 1.085 20 0 CDADMM C[C@H]1CC[C@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820684684 606879331 /nfs/dbraw/zinc/87/93/31/606879331.db2.gz RWJAGAWZJXHRLQ-IUCAKERBSA-N -1 1 272.312 1.275 20 0 CDADMM C[C@H]1CC[C@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820684684 606879330 /nfs/dbraw/zinc/87/93/30/606879330.db2.gz RWJAGAWZJXHRLQ-IUCAKERBSA-N -1 1 272.312 1.275 20 0 CDADMM CCc1cc(NCc2ccc(-c3nn[n-]n3)o2)n(C)n1 ZINC000821470637 606915173 /nfs/dbraw/zinc/91/51/73/606915173.db2.gz RAKYAVWPFQOWFW-UHFFFAOYSA-N -1 1 273.300 1.368 20 0 CDADMM CCc1cc(NCc2ccc(-c3nnn[n-]3)o2)n(C)n1 ZINC000821470637 606915172 /nfs/dbraw/zinc/91/51/72/606915172.db2.gz RAKYAVWPFQOWFW-UHFFFAOYSA-N -1 1 273.300 1.368 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CC12CCC2 ZINC000823290139 607143096 /nfs/dbraw/zinc/14/30/96/607143096.db2.gz UBTXTSIYEVPJPV-SECBINFHSA-N -1 1 285.307 1.701 20 0 CDADMM Cc1ncc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC000826329995 607773873 /nfs/dbraw/zinc/77/38/73/607773873.db2.gz APLLVZCKVRHJKW-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1ncc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC000826329995 607773874 /nfs/dbraw/zinc/77/38/74/607773874.db2.gz APLLVZCKVRHJKW-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM OC[C@H](CC1CC1)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000826507351 607850659 /nfs/dbraw/zinc/85/06/59/607850659.db2.gz MZHHBHKLOYIFKH-QMMMGPOBSA-N -1 1 294.746 1.488 20 0 CDADMM OC[C@H](CC1CC1)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000826507351 607850660 /nfs/dbraw/zinc/85/06/60/607850660.db2.gz MZHHBHKLOYIFKH-QMMMGPOBSA-N -1 1 294.746 1.488 20 0 CDADMM CS[C@@H](C)CNc1cccc(-c2nn[n-]n2)n1 ZINC000826225932 607903447 /nfs/dbraw/zinc/90/34/47/607903447.db2.gz NVFXLXHYGJIGIY-ZETCQYMHSA-N -1 1 250.331 1.425 20 0 CDADMM CS[C@@H](C)CNc1cccc(-c2nnn[n-]2)n1 ZINC000826225932 607903446 /nfs/dbraw/zinc/90/34/46/607903446.db2.gz NVFXLXHYGJIGIY-ZETCQYMHSA-N -1 1 250.331 1.425 20 0 CDADMM CC(C)n1cc(Nc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC000824371901 607990370 /nfs/dbraw/zinc/99/03/70/607990370.db2.gz YAQHSCWGXBSJDM-UHFFFAOYSA-N -1 1 271.288 1.178 20 0 CDADMM CC(C)n1cc(Nc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC000824371901 607990371 /nfs/dbraw/zinc/99/03/71/607990371.db2.gz YAQHSCWGXBSJDM-UHFFFAOYSA-N -1 1 271.288 1.178 20 0 CDADMM CC(C)(C)O[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000125932103 1175422188 /nfs/dbraw/zinc/42/21/88/1175422188.db2.gz XNQRTLWKRNUMEN-CYBMUJFWSA-N -1 1 290.363 1.881 20 0 CDADMM c1cc(NCc2noc(C3CC3)n2)nc(-c2nnn[n-]2)c1 ZINC000826517206 608147411 /nfs/dbraw/zinc/14/74/11/608147411.db2.gz VCUCUOVBEUYOLT-UHFFFAOYSA-N -1 1 284.283 1.134 20 0 CDADMM c1cc(NCc2noc(C3CC3)n2)nc(-c2nn[n-]n2)c1 ZINC000826517206 608147412 /nfs/dbraw/zinc/14/74/12/608147412.db2.gz VCUCUOVBEUYOLT-UHFFFAOYSA-N -1 1 284.283 1.134 20 0 CDADMM C[C@H]1OCC[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000825021107 608148002 /nfs/dbraw/zinc/14/80/02/608148002.db2.gz OXVOLKRHSMUVGL-UHNVWZDZSA-N -1 1 286.748 1.566 20 0 CDADMM C[C@H]1OCC[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000825021107 608148004 /nfs/dbraw/zinc/14/80/04/608148004.db2.gz OXVOLKRHSMUVGL-UHNVWZDZSA-N -1 1 286.748 1.566 20 0 CDADMM C[C@@H](CCO)Sc1snc(Cl)c1-c1nnn[n-]1 ZINC000824406690 608187190 /nfs/dbraw/zinc/18/71/90/608187190.db2.gz PZAGJEQVSXBSMB-BYPYZUCNSA-N -1 1 291.789 1.840 20 0 CDADMM C[C@@H](CCO)Sc1snc(Cl)c1-c1nn[n-]n1 ZINC000824406690 608187191 /nfs/dbraw/zinc/18/71/91/608187191.db2.gz PZAGJEQVSXBSMB-BYPYZUCNSA-N -1 1 291.789 1.840 20 0 CDADMM Cc1ocnc1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000826343084 608193016 /nfs/dbraw/zinc/19/30/16/608193016.db2.gz LPRGRWHNGOVQRU-UHFFFAOYSA-N -1 1 291.702 1.824 20 0 CDADMM Cc1ocnc1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000826343084 608193018 /nfs/dbraw/zinc/19/30/18/608193018.db2.gz LPRGRWHNGOVQRU-UHFFFAOYSA-N -1 1 291.702 1.824 20 0 CDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccs1 ZINC000824654878 608389562 /nfs/dbraw/zinc/38/95/62/608389562.db2.gz ACJLMMVULXJMAU-ZETCQYMHSA-N -1 1 273.325 1.891 20 0 CDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccs1 ZINC000824654878 608389564 /nfs/dbraw/zinc/38/95/64/608389564.db2.gz ACJLMMVULXJMAU-ZETCQYMHSA-N -1 1 273.325 1.891 20 0 CDADMM Fc1cccc2c1CC[C@@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826377690 608403599 /nfs/dbraw/zinc/40/35/99/608403599.db2.gz BKZXPIWBARUONA-NSHDSACASA-N -1 1 297.297 1.895 20 0 CDADMM Fc1cccc2c1CC[C@@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826377690 608403602 /nfs/dbraw/zinc/40/36/02/608403602.db2.gz BKZXPIWBARUONA-NSHDSACASA-N -1 1 297.297 1.895 20 0 CDADMM Cc1ccc(CN(C)c2ccc(-c3nnn[n-]3)nn2)s1 ZINC000826288251 608412122 /nfs/dbraw/zinc/41/21/22/608412122.db2.gz XRKIFNUYSJGTIM-UHFFFAOYSA-N -1 1 287.352 1.663 20 0 CDADMM Cc1ccc(CN(C)c2ccc(-c3nn[n-]n3)nn2)s1 ZINC000826288251 608412123 /nfs/dbraw/zinc/41/21/23/608412123.db2.gz XRKIFNUYSJGTIM-UHFFFAOYSA-N -1 1 287.352 1.663 20 0 CDADMM c1ccc2c(c1)CC[C@H]2CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826523197 608417703 /nfs/dbraw/zinc/41/77/03/608417703.db2.gz DRDUHIQNHDOGHX-NSHDSACASA-N -1 1 293.334 1.799 20 0 CDADMM c1ccc2c(c1)CC[C@H]2CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826523197 608417706 /nfs/dbraw/zinc/41/77/06/608417706.db2.gz DRDUHIQNHDOGHX-NSHDSACASA-N -1 1 293.334 1.799 20 0 CDADMM CC(C)CC[C@@](C)(O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824243711 608422450 /nfs/dbraw/zinc/42/24/50/608422450.db2.gz MSAZQQKYKMAPMK-CYBMUJFWSA-N -1 1 291.359 1.256 20 0 CDADMM CC(C)CC[C@@](C)(O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824243711 608422452 /nfs/dbraw/zinc/42/24/52/608422452.db2.gz MSAZQQKYKMAPMK-CYBMUJFWSA-N -1 1 291.359 1.256 20 0 CDADMM c1cc(Sc2ccc(-c3nnn[n-]3)nn2)ccn1 ZINC000826517653 608436192 /nfs/dbraw/zinc/43/61/92/608436192.db2.gz KNZJWLZFQHOLPK-UHFFFAOYSA-N -1 1 257.282 1.203 20 0 CDADMM c1cc(Sc2ccc(-c3nn[n-]n3)nn2)ccn1 ZINC000826517653 608436194 /nfs/dbraw/zinc/43/61/94/608436194.db2.gz KNZJWLZFQHOLPK-UHFFFAOYSA-N -1 1 257.282 1.203 20 0 CDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc[nH]1 ZINC000824658056 608438177 /nfs/dbraw/zinc/43/81/77/608438177.db2.gz UREIBFKNVWHYHB-SSDOTTSWSA-N -1 1 256.273 1.158 20 0 CDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc[nH]1 ZINC000824658056 608438178 /nfs/dbraw/zinc/43/81/78/608438178.db2.gz UREIBFKNVWHYHB-SSDOTTSWSA-N -1 1 256.273 1.158 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H](C)Cn1cccn1 ZINC000826280819 608542864 /nfs/dbraw/zinc/54/28/64/608542864.db2.gz REFPZPPUWNQMPK-JTQLQIEISA-N -1 1 298.354 1.515 20 0 CDADMM CCOC(=O)[C@@H](C)N(C)Cc1ccc(-c2nn[n-]n2)s1 ZINC000825485251 608694458 /nfs/dbraw/zinc/69/44/58/608694458.db2.gz FXYUZYPOBMUCFS-MRVPVSSYSA-N -1 1 295.368 1.312 20 0 CDADMM CN(C)c1cccc(Cn2ccnc2-c2nnn[n-]2)c1 ZINC000825884280 608894889 /nfs/dbraw/zinc/89/48/89/608894889.db2.gz XRPJYOBZZPTTET-UHFFFAOYSA-N -1 1 269.312 1.178 20 0 CDADMM CN(C)c1cccc(Cn2ccnc2-c2nn[n-]n2)c1 ZINC000825884280 608894890 /nfs/dbraw/zinc/89/48/90/608894890.db2.gz XRPJYOBZZPTTET-UHFFFAOYSA-N -1 1 269.312 1.178 20 0 CDADMM CC[C@H](C)[C@@H](C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825049861 609591321 /nfs/dbraw/zinc/59/13/21/609591321.db2.gz FVBZDESAPCVUJZ-JGVFFNPUSA-N -1 1 277.332 1.221 20 0 CDADMM CC[C@H](C)[C@@H](C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825049861 609591323 /nfs/dbraw/zinc/59/13/23/609591323.db2.gz FVBZDESAPCVUJZ-JGVFFNPUSA-N -1 1 277.332 1.221 20 0 CDADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H](O)[C@@H](F)C1 ZINC000890707956 617292473 /nfs/dbraw/zinc/29/24/73/617292473.db2.gz WZLDJVHWRQWQPZ-ONGXEEELSA-N -1 1 273.691 1.591 20 0 CDADMM CC(C)[C@@H](C(=O)[N-]OC1CCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000812788484 617336247 /nfs/dbraw/zinc/33/62/47/617336247.db2.gz NMDTWEJWSCOGPM-SCRDCRAPSA-N -1 1 284.400 1.721 20 0 CDADMM CCC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000946060689 614412034 /nfs/dbraw/zinc/41/20/34/614412034.db2.gz QIACIGUDUAQDNN-QWRGUYRKSA-N -1 1 291.351 1.212 20 0 CDADMM CCC(=O)N1CC[C@@H](N(CC)C(=O)c2ncccc2[O-])C1 ZINC000942754655 614644128 /nfs/dbraw/zinc/64/41/28/614644128.db2.gz CVGXFRSFFFXFKQ-LLVKDONJSA-N -1 1 291.351 1.260 20 0 CDADMM CO[C@H]1CC[C@H](C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)C1 ZINC000891616206 617505115 /nfs/dbraw/zinc/50/51/15/617505115.db2.gz WLVXCPZSUYBJTK-UWVGGRQHSA-N -1 1 291.351 1.815 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)C1CC=CC1 ZINC000891620893 617508575 /nfs/dbraw/zinc/50/85/75/617508575.db2.gz AXENLHKCIKCUFL-UHFFFAOYSA-N -1 1 259.309 1.966 20 0 CDADMM COCc1nc(NC[C@@H](C)CC2(C)OCCO2)cc(=O)[n-]1 ZINC000892640099 617554536 /nfs/dbraw/zinc/55/45/36/617554536.db2.gz FUCFKAGXXSVAJP-JTQLQIEISA-N -1 1 297.355 1.530 20 0 CDADMM CC[C@H](F)CN1CC(N(CC)C(=O)c2ncccc2[O-])C1 ZINC000949952116 615776313 /nfs/dbraw/zinc/77/63/13/615776313.db2.gz HFTYAIIJOBORAZ-NSHDSACASA-N -1 1 295.358 1.682 20 0 CDADMM COC(=O)c1ccc(C(=O)O[C@@H]2CCC(C)(C)C2=O)[n-]1 ZINC000840577310 617582723 /nfs/dbraw/zinc/58/27/23/617582723.db2.gz MJSZXQYRZIFFAD-SNVBAGLBSA-N -1 1 279.292 1.716 20 0 CDADMM COCc1nc(NCCc2cccc(C)n2)cc(=O)[n-]1 ZINC000893588418 617626729 /nfs/dbraw/zinc/62/67/29/617626729.db2.gz AEQCVLVGMHVROB-UHFFFAOYSA-N -1 1 274.324 1.687 20 0 CDADMM CCC[C@@H](C)CC(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000776562822 617673720 /nfs/dbraw/zinc/67/37/20/617673720.db2.gz FLNXPYCPEHJWDX-ZJUUUORDSA-N -1 1 283.401 1.643 20 0 CDADMM CCCCc1noc(CN2C[C@H](C)[C@@H](C(=O)[O-])C2)n1 ZINC000223827466 617765077 /nfs/dbraw/zinc/76/50/77/617765077.db2.gz GDNVYKLKJMQITN-UWVGGRQHSA-N -1 1 267.329 1.565 20 0 CDADMM CC(C)NC(=O)CNCc1ccc(C(=O)[O-])c(Cl)c1 ZINC000902081002 618545895 /nfs/dbraw/zinc/54/58/95/618545895.db2.gz ZVVMOASYUSHMOM-UHFFFAOYSA-N -1 1 284.743 1.652 20 0 CDADMM C[C@@H]1CN(Cc2nc(CC(F)(F)F)no2)C[C@H]1C(=O)[O-] ZINC000828464972 618623177 /nfs/dbraw/zinc/62/31/77/618623177.db2.gz WWHQGBNKYAXBEH-RNFRBKRXSA-N -1 1 293.245 1.327 20 0 CDADMM CN(C(=O)[C@@H]1CCCc2[nH]ncc21)C(C)(C)C(=O)[O-] ZINC000830465488 618628279 /nfs/dbraw/zinc/62/82/79/618628279.db2.gz RWBMTPZOXZYKPU-MRVPVSSYSA-N -1 1 265.313 1.151 20 0 CDADMM CCN(C)[C@H](C(=O)NC[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000655560551 619104295 /nfs/dbraw/zinc/10/42/95/619104295.db2.gz IRERLZAHLNFQLD-YPMHNXCESA-N -1 1 278.352 1.516 20 0 CDADMM CCC[N@@H+](C)CC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000909464756 619340641 /nfs/dbraw/zinc/34/06/41/619340641.db2.gz NMTIPBWTGORPIJ-UHFFFAOYSA-N -1 1 278.352 1.385 20 0 CDADMM O=C([O-])[C@@H](CC1CC1)NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000909468507 619346739 /nfs/dbraw/zinc/34/67/39/619346739.db2.gz NJTXIWRZQCDBHE-BXKDBHETSA-N -1 1 277.324 1.199 20 0 CDADMM CCCC[C@@H](NC(=O)CN(C)[C@@H]1CCSC1)C(=O)[O-] ZINC000909506959 619470165 /nfs/dbraw/zinc/47/01/65/619470165.db2.gz NSFOKTQJQKXGNK-GHMZBOCLSA-N -1 1 288.413 1.183 20 0 CDADMM CC1(C)O[C@@H]2C[C@@H](Nc3cc(Cl)[n-]c(=O)n3)C[C@@H]2O1 ZINC000896348338 620067161 /nfs/dbraw/zinc/06/71/61/620067161.db2.gz XEYRYFXTMAIPHF-WHUPJOBBSA-N -1 1 285.731 1.930 20 0 CDADMM CCC(C)(C)OCCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000909576329 620435912 /nfs/dbraw/zinc/43/59/12/620435912.db2.gz BIWLCYALMGTRQC-UHFFFAOYSA-N -1 1 293.367 1.995 20 0 CDADMM COC(=O)c1ccc(C(=O)O[C@H]2CCN(CCF)C2)[n-]1 ZINC000797187260 620477133 /nfs/dbraw/zinc/47/71/33/620477133.db2.gz SSMMHHVPCXFVSK-VIFPVBQESA-N -1 1 284.287 1.002 20 0 CDADMM CCN(C)[C@H](C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000909646358 620540720 /nfs/dbraw/zinc/54/07/20/620540720.db2.gz ACIIVYDHOYOWAJ-BZPMIXESSA-N -1 1 292.379 1.905 20 0 CDADMM CO[C@]1(C(=O)Nc2nc(Cl)ccc2[O-])CCSC1 ZINC000897530721 620928654 /nfs/dbraw/zinc/92/86/54/620928654.db2.gz NECQMRNIACNITD-LLVKDONJSA-N -1 1 288.756 1.901 20 0 CDADMM C[C@H]1C[C@H](C(=O)NCc2nc([O-])cc(=O)[nH]2)C[C@@H](C)C1 ZINC000898758082 621861725 /nfs/dbraw/zinc/86/17/25/621861725.db2.gz WDHIWHXNRFLFKH-MYJAWHEDSA-N -1 1 279.340 1.576 20 0 CDADMM O=C(NC[C@H]1C[C@@H](O)C1)c1ccc2ccc(O)cc2c1[O-] ZINC000899144240 622067922 /nfs/dbraw/zinc/06/79/22/622067922.db2.gz WJAZHPUTEHSDJK-WVSHTKLVSA-N -1 1 287.315 1.752 20 0 CDADMM O=C([N-]c1noc2c1CCCC2)c1noc2c1COCC2 ZINC000900785720 623481158 /nfs/dbraw/zinc/48/11/58/623481158.db2.gz GUEZKYWCGBSUIH-UHFFFAOYSA-N -1 1 289.291 1.866 20 0 CDADMM Cc1cc(C[C@H](C)Nc2ncccc2C(=O)[O-])[nH]n1 ZINC000900987168 623764134 /nfs/dbraw/zinc/76/41/34/623764134.db2.gz ADOZHLIKEXEHMF-QMMMGPOBSA-N -1 1 260.297 1.854 20 0 CDADMM C[C@@H]1[C@H](C)SCCN1Cc1cn(C)nc1C(=O)[O-] ZINC000901434821 624246637 /nfs/dbraw/zinc/24/66/37/624246637.db2.gz YRHCCQJBVPDSJO-BDAKNGLRSA-N -1 1 269.370 1.444 20 0 CDADMM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N(C)CCC(=O)[O-])C1 ZINC000901460514 624278083 /nfs/dbraw/zinc/27/80/83/624278083.db2.gz TWROYWIUYQPZML-SCZZXKLOSA-N -1 1 265.313 1.009 20 0 CDADMM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000901568997 624337859 /nfs/dbraw/zinc/33/78/59/624337859.db2.gz HCRHAZUPSXSRTL-CQSZACIVSA-N -1 1 291.282 1.639 20 0 CDADMM CCn1nc(C)c(CN[C@@H](Cc2ccccc2)C(=O)[O-])n1 ZINC000901569334 624353949 /nfs/dbraw/zinc/35/39/49/624353949.db2.gz JWFAOAXHAQYQRH-ZDUSSCGKSA-N -1 1 288.351 1.392 20 0 CDADMM Cn1cccc1CN1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000901787335 624452424 /nfs/dbraw/zinc/45/24/24/624452424.db2.gz PJJPMNSJKPIXTG-LLVKDONJSA-N -1 1 276.258 1.864 20 0 CDADMM NOCCC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000903527438 626013413 /nfs/dbraw/zinc/01/34/13/626013413.db2.gz WLSHPLQDEVYSFL-UHFFFAOYSA-N -1 1 288.300 1.131 20 0 CDADMM CC(C)N(CCC1(C(=O)[O-])CCC1)CCS(C)(=O)=O ZINC000903700876 626057542 /nfs/dbraw/zinc/05/75/42/626057542.db2.gz IVPRPYSEZCBDDN-UHFFFAOYSA-N -1 1 291.413 1.386 20 0 CDADMM Cc1c([C@@H](NCc2cccc(F)c2)C(=O)[O-])cnn1C ZINC000904047583 626185174 /nfs/dbraw/zinc/18/51/74/626185174.db2.gz GZRDOUCTPDNBAE-CYBMUJFWSA-N -1 1 277.299 1.783 20 0 CDADMM CCc1cc(CN[C@H]2C[C@H](NC(=O)[O-])C23CCC3)on1 ZINC000904205117 626220432 /nfs/dbraw/zinc/22/04/32/626220432.db2.gz OGNOSEZJSBPEFK-RYUDHWBXSA-N -1 1 279.340 1.905 20 0 CDADMM Cn1ccc(CN[C@H]2C[C@H](NC(=O)[O-])C23CCC3)n1 ZINC000904227075 626224849 /nfs/dbraw/zinc/22/48/49/626224849.db2.gz DEKBWWDOPVYZMX-QWRGUYRKSA-N -1 1 264.329 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C[C@@H]1CN([C@H](C(=O)[O-])c2cccnc2)C[C@]2(CCOC2)O1 ZINC001604785976 1163323072 /nfs/dbraw/zinc/32/30/72/1163323072.db2.gz JJHOGZDKLIJQLP-ZLDLUXBVSA-N -1 1 292.335 1.087 20 0 CDADMM CN(Cc1ccoc1)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001604821400 1163341498 /nfs/dbraw/zinc/34/14/98/1163341498.db2.gz CPMWDXJSIVBHBS-UHFFFAOYSA-N -1 1 284.279 1.127 20 0 CDADMM CN(Cc1ccoc1)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001604821400 1163341506 /nfs/dbraw/zinc/34/15/06/1163341506.db2.gz CPMWDXJSIVBHBS-UHFFFAOYSA-N -1 1 284.279 1.127 20 0 CDADMM CC[C@@H](C(=O)O[C@H](C(=O)[O-])C1CC1)N(CC)CC ZINC001604889595 1163368488 /nfs/dbraw/zinc/36/84/88/1163368488.db2.gz YQXQPGJCRMALQB-QWRGUYRKSA-N -1 1 257.330 1.513 20 0 CDADMM CC[C@@H](Cn1cncn1)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001605064156 1163437920 /nfs/dbraw/zinc/43/79/20/1163437920.db2.gz YYICKGUWYZFNAF-IUCAKERBSA-N -1 1 295.368 1.562 20 0 CDADMM COCCn1cc(-c2ccc(-c3nn[n-]n3)s2)cn1 ZINC001605124455 1163461356 /nfs/dbraw/zinc/46/13/56/1163461356.db2.gz GOAXHTDDABPTPR-UHFFFAOYSA-N -1 1 276.325 1.438 20 0 CDADMM CCC1(CC)CCN(CN2CCC[C@H](C(=O)[O-])C2)C1=O ZINC001605138833 1163463810 /nfs/dbraw/zinc/46/38/10/1163463810.db2.gz OFWGEWKFPOMJON-LBPRGKRZSA-N -1 1 282.384 1.779 20 0 CDADMM COc1c(-c2nn[n-]n2)ccc(=O)n1Cc1cccc(C)c1 ZINC001605153874 1163470555 /nfs/dbraw/zinc/47/05/55/1163470555.db2.gz MQXSSKLKYLJIIV-UHFFFAOYSA-N -1 1 297.318 1.394 20 0 CDADMM COc1ccccc1N(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001605333575 1163527032 /nfs/dbraw/zinc/52/70/32/1163527032.db2.gz XOHXHFSCBFMABR-UHFFFAOYSA-N -1 1 299.290 1.745 20 0 CDADMM COc1ccccc1N(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001605333575 1163527038 /nfs/dbraw/zinc/52/70/38/1163527038.db2.gz XOHXHFSCBFMABR-UHFFFAOYSA-N -1 1 299.290 1.745 20 0 CDADMM CCN(C)[C@H](C(=O)N[C@@H](CF)C(=O)[O-])c1ccccc1 ZINC001605407190 1163553299 /nfs/dbraw/zinc/55/32/99/1163553299.db2.gz HPPUFODUHKCLLJ-RYUDHWBXSA-N -1 1 282.315 1.218 20 0 CDADMM CCOC(=O)C12CC(C1)CN2CC1(CC(=O)[O-])CC1 ZINC001605523039 1163595684 /nfs/dbraw/zinc/59/56/84/1163595684.db2.gz YDZZWCYCALIOKO-UHFFFAOYSA-N -1 1 267.325 1.269 20 0 CDADMM CCOC(=O)CN(C)C[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001605539704 1163603557 /nfs/dbraw/zinc/60/35/57/1163603557.db2.gz ZDNIICBUAKUDPF-MNOVXSKESA-N -1 1 257.330 1.372 20 0 CDADMM CC[S@@](=O)CCN[C@H](C)c1cc(C(=O)[O-])co1 ZINC001605736309 1163655556 /nfs/dbraw/zinc/65/55/56/1163655556.db2.gz NSHSJSFLVTVTDF-CQLKUDPESA-N -1 1 259.327 1.397 20 0 CDADMM CCc1ccc(C(=O)[O-])c(OC(=O)CCc2nc[nH]n2)c1 ZINC001605806351 1163677442 /nfs/dbraw/zinc/67/74/42/1163677442.db2.gz QJLRLZCYHUDAAD-UHFFFAOYSA-N -1 1 289.291 1.604 20 0 CDADMM Cc1ccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)c(F)c1 ZINC001605824216 1163680516 /nfs/dbraw/zinc/68/05/16/1163680516.db2.gz VSDGAEBKDSMAQE-UHFFFAOYSA-N -1 1 287.258 1.290 20 0 CDADMM Cc1ccc(CNC(=O)c2coc(-c3nnn[n-]3)c2)cn1 ZINC001605854169 1163690795 /nfs/dbraw/zinc/69/07/95/1163690795.db2.gz GBWNUVGELRBNEE-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1ccc(CNC(=O)c2coc(-c3nn[n-]n3)c2)cn1 ZINC001605854169 1163690798 /nfs/dbraw/zinc/69/07/98/1163690798.db2.gz GBWNUVGELRBNEE-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1ccc(N(C)CCCCCO)c(-c2nnn[n-]2)n1 ZINC001605866466 1163697805 /nfs/dbraw/zinc/69/78/05/1163697805.db2.gz QFCCLAVVEFSFRY-UHFFFAOYSA-N -1 1 276.344 1.169 20 0 CDADMM Cc1ccc(N(C)CCCCCO)c(-c2nn[n-]n2)n1 ZINC001605866466 1163697809 /nfs/dbraw/zinc/69/78/09/1163697809.db2.gz QFCCLAVVEFSFRY-UHFFFAOYSA-N -1 1 276.344 1.169 20 0 CDADMM Cc1ccc(N[C@@H](C)[C@H]2CCCOC2)nc1-c1nnn[n-]1 ZINC001605871774 1163699742 /nfs/dbraw/zinc/69/97/42/1163699742.db2.gz LJKRYLJVOAFCCK-QWRGUYRKSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(N[C@@H](C)[C@H]2CCCOC2)nc1-c1nn[n-]n1 ZINC001605871774 1163699746 /nfs/dbraw/zinc/69/97/46/1163699746.db2.gz LJKRYLJVOAFCCK-QWRGUYRKSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(O)cc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001605875562 1163702953 /nfs/dbraw/zinc/70/29/53/1163702953.db2.gz JHUYTRMBKUCBMF-UHFFFAOYSA-N -1 1 285.263 1.726 20 0 CDADMM CCc1oc(C(=O)[O-])cc1C[N@@H+](C[C@@H](C)O)C1CC1 ZINC001605879804 1163704859 /nfs/dbraw/zinc/70/48/59/1163704859.db2.gz SFMRSJIRHWBERR-SECBINFHSA-N -1 1 267.325 1.885 20 0 CDADMM Cc1ccc2c(c1)CCN2c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001605889011 1163706209 /nfs/dbraw/zinc/70/62/09/1163706209.db2.gz YAUQDONUGNAXNG-UHFFFAOYSA-N -1 1 293.334 1.968 20 0 CDADMM Cc1ccc2c(c1)CCN2c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001605889011 1163706215 /nfs/dbraw/zinc/70/62/15/1163706215.db2.gz YAUQDONUGNAXNG-UHFFFAOYSA-N -1 1 293.334 1.968 20 0 CDADMM Cc1csc(CNC(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001606005588 1163742546 /nfs/dbraw/zinc/74/25/46/1163742546.db2.gz XUADQIBGOOVVDU-UHFFFAOYSA-N -1 1 289.320 1.760 20 0 CDADMM Cc1csc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001606005588 1163742552 /nfs/dbraw/zinc/74/25/52/1163742552.db2.gz XUADQIBGOOVVDU-UHFFFAOYSA-N -1 1 289.320 1.760 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(Cc2ccc(Cl)cn2)c1C ZINC001606020747 1163747666 /nfs/dbraw/zinc/74/76/66/1163747666.db2.gz ASKZULXODSHWRV-UHFFFAOYSA-N -1 1 289.730 1.777 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2ccc(Cl)cn2)c1C ZINC001606020747 1163747670 /nfs/dbraw/zinc/74/76/70/1163747670.db2.gz ASKZULXODSHWRV-UHFFFAOYSA-N -1 1 289.730 1.777 20 0 CDADMM CN(C)c1cccc(CN2CCSC[C@@H]2CC(=O)[O-])n1 ZINC001606059534 1163759433 /nfs/dbraw/zinc/75/94/33/1163759433.db2.gz KVXDEVDKJLBBNW-LBPRGKRZSA-N -1 1 295.408 1.540 20 0 CDADMM Cc1nc(NC[C@]2(C)CC2(C)C)cc(-c2nnn[n-]2)n1 ZINC001606066798 1163761417 /nfs/dbraw/zinc/76/14/17/1163761417.db2.gz HUIQXWMHYHGYSV-ZDUSSCGKSA-N -1 1 273.344 1.813 20 0 CDADMM Cc1nc(NC[C@]2(C)CC2(C)C)cc(-c2nn[n-]n2)n1 ZINC001606066798 1163761420 /nfs/dbraw/zinc/76/14/20/1163761420.db2.gz HUIQXWMHYHGYSV-ZDUSSCGKSA-N -1 1 273.344 1.813 20 0 CDADMM CN(CC(=O)[O-])C(=O)CC[N@H+]1CCc2cccc(F)c2C1 ZINC001606087216 1163768278 /nfs/dbraw/zinc/76/82/78/1163768278.db2.gz HRCGXZMYQWTHNU-UHFFFAOYSA-N -1 1 294.326 1.117 20 0 CDADMM CN(CC(=O)[O-])C(=O)CCN1CCc2cccc(F)c2C1 ZINC001606087216 1163768284 /nfs/dbraw/zinc/76/82/84/1163768284.db2.gz HRCGXZMYQWTHNU-UHFFFAOYSA-N -1 1 294.326 1.117 20 0 CDADMM Cc1nn(C(C)C)cc1C=Cc1cnc(-c2nnn[n-]2)cn1 ZINC001606104813 1163773183 /nfs/dbraw/zinc/77/31/83/1163773183.db2.gz GPCXKYIUZOZEGT-PLNGDYQASA-N -1 1 296.338 1.913 20 0 CDADMM Cc1nn(C(C)C)cc1C=Cc1cnc(-c2nn[n-]n2)cn1 ZINC001606104813 1163773187 /nfs/dbraw/zinc/77/31/87/1163773187.db2.gz GPCXKYIUZOZEGT-PLNGDYQASA-N -1 1 296.338 1.913 20 0 CDADMM Clc1sc(N2CC3(C2)CCCO3)nc1-c1nn[n-]n1 ZINC001606201237 1163804832 /nfs/dbraw/zinc/80/48/32/1163804832.db2.gz XTTNMAUBYSAFBJ-UHFFFAOYSA-N -1 1 298.759 1.346 20 0 CDADMM FC1(F)CCC[C@H]1CCOc1cnc(-c2nn[n-]n2)nc1 ZINC001606300822 1163844704 /nfs/dbraw/zinc/84/47/04/1163844704.db2.gz YFGUQQIDKKRVON-QMMMGPOBSA-N -1 1 296.281 1.861 20 0 CDADMM F[C@H]1CCCC[C@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606303874 1163849582 /nfs/dbraw/zinc/84/95/82/1163849582.db2.gz CZWFBOPNGROQDW-VHSXEESVSA-N -1 1 262.292 1.376 20 0 CDADMM F[C@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606303874 1163849590 /nfs/dbraw/zinc/84/95/90/1163849590.db2.gz CZWFBOPNGROQDW-VHSXEESVSA-N -1 1 262.292 1.376 20 0 CDADMM COC(=O)c1cnoc1CN1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001606628956 1163941428 /nfs/dbraw/zinc/94/14/28/1163941428.db2.gz BFHJGFFASIENPP-RISCZKNCSA-N -1 1 294.307 1.290 20 0 CDADMM O=C(N[C@@H]1CC=CCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606655953 1163949660 /nfs/dbraw/zinc/94/96/60/1163949660.db2.gz YSJBDMNECOZQTP-SECBINFHSA-N -1 1 287.298 1.844 20 0 CDADMM O=C(N[C@@H]1CC=CCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606655953 1163949663 /nfs/dbraw/zinc/94/96/63/1163949663.db2.gz YSJBDMNECOZQTP-SECBINFHSA-N -1 1 287.298 1.844 20 0 CDADMM O=C(NCC=Cc1cccnc1)c1ccc(-c2nnn[n-]2)o1 ZINC001606751833 1163983704 /nfs/dbraw/zinc/98/37/04/1163983704.db2.gz BITBOIYEEWLBHP-DUXPYHPUSA-N -1 1 296.290 1.298 20 0 CDADMM O=C(NCC=Cc1cccnc1)c1ccc(-c2nn[n-]n2)o1 ZINC001606751833 1163983708 /nfs/dbraw/zinc/98/37/08/1163983708.db2.gz BITBOIYEEWLBHP-DUXPYHPUSA-N -1 1 296.290 1.298 20 0 CDADMM O=C(NCCC1CC1)c1csc(-c2nn[n-]n2)c1 ZINC001606760277 1163984646 /nfs/dbraw/zinc/98/46/46/1163984646.db2.gz DQGCXLZSWHSTPC-UHFFFAOYSA-N -1 1 263.326 1.458 20 0 CDADMM O=C(NCc1cccs1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606839823 1164010604 /nfs/dbraw/zinc/01/06/04/1164010604.db2.gz QOOVMSAJKMWLCC-UHFFFAOYSA-N -1 1 286.320 1.253 20 0 CDADMM O=C(NCc1cccs1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606839823 1164010610 /nfs/dbraw/zinc/01/06/10/1164010610.db2.gz QOOVMSAJKMWLCC-UHFFFAOYSA-N -1 1 286.320 1.253 20 0 CDADMM O=C(Nc1cc(C2CC2)[nH]n1)c1coc(-c2nnn[n-]2)c1 ZINC001606898345 1164026776 /nfs/dbraw/zinc/02/67/76/1164026776.db2.gz HLXUUNWSZAMAPP-UHFFFAOYSA-N -1 1 285.267 1.313 20 0 CDADMM O=C(Nc1cc(C2CC2)[nH]n1)c1coc(-c2nn[n-]n2)c1 ZINC001606898345 1164026779 /nfs/dbraw/zinc/02/67/79/1164026779.db2.gz HLXUUNWSZAMAPP-UHFFFAOYSA-N -1 1 285.267 1.313 20 0 CDADMM O=C(OCC1CSC1)c1csc(-c2nnn[n-]2)c1 ZINC001606967829 1164036151 /nfs/dbraw/zinc/03/61/51/1164036151.db2.gz QNZQLNCWQGDORM-UHFFFAOYSA-N -1 1 282.350 1.448 20 0 CDADMM O=C(OCC1CSC1)c1csc(-c2nn[n-]n2)c1 ZINC001606967829 1164036159 /nfs/dbraw/zinc/03/61/59/1164036159.db2.gz QNZQLNCWQGDORM-UHFFFAOYSA-N -1 1 282.350 1.448 20 0 CDADMM OCC1(Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCC1 ZINC001607105033 1164083707 /nfs/dbraw/zinc/08/37/07/1164083707.db2.gz YULZVTISSFHEKV-UHFFFAOYSA-N -1 1 286.748 1.304 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NCC[C@H]1CCSC1 ZINC001607116325 1164096829 /nfs/dbraw/zinc/09/68/29/1164096829.db2.gz GXKFPQZIVKSYQS-QMMMGPOBSA-N -1 1 277.357 1.212 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NCC[C@H]1CCSC1 ZINC001607116325 1164096835 /nfs/dbraw/zinc/09/68/35/1164096835.db2.gz GXKFPQZIVKSYQS-QMMMGPOBSA-N -1 1 277.357 1.212 20 0 CDADMM c1cc(NC[C@@H]2CC[C@H](C3CC3)O2)cc(-c2nnn[n-]2)n1 ZINC001607120601 1164103079 /nfs/dbraw/zinc/10/30/79/1164103079.db2.gz FINWVVPMYKXPPU-WCQYABFASA-N -1 1 286.339 1.053 20 0 CDADMM c1cc(NC[C@@H]2CC[C@H](C3CC3)O2)cc(-c2nn[n-]n2)n1 ZINC001607120601 1164103085 /nfs/dbraw/zinc/10/30/85/1164103085.db2.gz FINWVVPMYKXPPU-WCQYABFASA-N -1 1 286.339 1.053 20 0 CDADMM c1cc(CNc2ccc(-c3nnn[n-]3)nn2)cc2c1CCC2 ZINC001607122936 1164105493 /nfs/dbraw/zinc/10/54/93/1164105493.db2.gz CZRJCMLDEAQPJR-UHFFFAOYSA-N -1 1 293.334 1.758 20 0 CDADMM c1cc(CNc2ccc(-c3nn[n-]n3)nn2)cc2c1CCC2 ZINC001607122936 1164105499 /nfs/dbraw/zinc/10/54/99/1164105499.db2.gz CZRJCMLDEAQPJR-UHFFFAOYSA-N -1 1 293.334 1.758 20 0 CDADMM c1coc([C@@H]2C[C@H]2Nc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001607135428 1164114539 /nfs/dbraw/zinc/11/45/39/1164114539.db2.gz BVZJGICLYMYWPX-HTQZYQBOSA-N -1 1 269.268 1.218 20 0 CDADMM c1coc([C@@H]2C[C@H]2Nc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001607135428 1164114540 /nfs/dbraw/zinc/11/45/40/1164114540.db2.gz BVZJGICLYMYWPX-HTQZYQBOSA-N -1 1 269.268 1.218 20 0 CDADMM C[C@@H]1CN(CC(=O)Nc2ccccn2)C[C@H]1CC(=O)[O-] ZINC001607436896 1164179845 /nfs/dbraw/zinc/17/98/45/1164179845.db2.gz GVONRDTVOOBASX-GHMZBOCLSA-N -1 1 277.324 1.063 20 0 CDADMM C[C@H]1CN(C(=O)[C@H]2CCc3[nH]cnc3C2)CC[C@H]1C(=O)[O-] ZINC001607469036 1164192067 /nfs/dbraw/zinc/19/20/67/1164192067.db2.gz UICRLAZUEFNJTN-GARJFASQSA-N -1 1 291.351 1.084 20 0 CDADMM Cc1noc(C)c1CNCc1ccc(C(=O)[O-])n1C ZINC001608024899 1164382456 /nfs/dbraw/zinc/38/24/56/1164382456.db2.gz LIHCBJSAUIYULS-UHFFFAOYSA-N -1 1 263.297 1.618 20 0 CDADMM Cc1noc([C@@H]2OCC[C@@H]2NCc2ccoc2C(=O)[O-])n1 ZINC001608028711 1164383278 /nfs/dbraw/zinc/38/32/78/1164383278.db2.gz DJEPOSGHTSHKGB-GXSJLCMTSA-N -1 1 293.279 1.289 20 0 CDADMM Cn1cc(CCNC(C)(C)c2nocc2C(=O)[O-])cn1 ZINC001608110004 1164411517 /nfs/dbraw/zinc/41/15/17/1164411517.db2.gz PMGQLDFKCCLJFV-UHFFFAOYSA-N -1 1 278.312 1.174 20 0 CDADMM O=C([O-])[C@@H](OC(=O)CCc1nc[nH]n1)c1ccsc1 ZINC001608322571 1164491559 /nfs/dbraw/zinc/49/15/59/1164491559.db2.gz PEQXKNAVSYBHEO-JTQLQIEISA-N -1 1 281.293 1.168 20 0 CDADMM O=C([O-])C12CCC(C(=O)N3CC[C@@H](N4CCC4)C3)(CC1)C2 ZINC001608582187 1164556128 /nfs/dbraw/zinc/55/61/28/1164556128.db2.gz AKRQMQQUWCNSEO-UWTIGNOOSA-N -1 1 292.379 1.328 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2ccccc2-c2nnc[nH]2)on1 ZINC001608838116 1164657635 /nfs/dbraw/zinc/65/76/35/1164657635.db2.gz SIKBGQDLKVAFIC-UHFFFAOYSA-N -1 1 299.246 1.410 20 0 CDADMM O=C([O-])c1cc(CN2CC(CCO)C2)n2c1CCCC2 ZINC001608841105 1164658123 /nfs/dbraw/zinc/65/81/23/1164658123.db2.gz AFHFPVWVFMBVCM-UHFFFAOYSA-N -1 1 278.352 1.337 20 0 CDADMM O=C([O-])c1ccc(CN2CCC(c3cn[nH]c3)CC2)[nH]1 ZINC001608881533 1164672895 /nfs/dbraw/zinc/67/28/95/1164672895.db2.gz CJEKZQHGGOPMRT-UHFFFAOYSA-N -1 1 274.324 1.816 20 0 CDADMM O=C([O-])c1ccoc1C[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC001608955037 1164696398 /nfs/dbraw/zinc/69/63/98/1164696398.db2.gz COSFZZSVDZAZAP-QMMMGPOBSA-N -1 1 293.279 1.446 20 0 CDADMM O=C([O-])c1ccc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)c(F)c1 ZINC001609033959 1164735415 /nfs/dbraw/zinc/73/54/15/1164735415.db2.gz XWLJBXKYIWFPTK-OAHLLOKOSA-N -1 1 292.310 1.236 20 0 CDADMM CC(C)(C)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001609074578 1164756284 /nfs/dbraw/zinc/75/62/84/1164756284.db2.gz TZBFRSNTYGGBIN-JTQLQIEISA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)(C)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001609074578 1164756290 /nfs/dbraw/zinc/75/62/90/1164756290.db2.gz TZBFRSNTYGGBIN-JTQLQIEISA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)CCNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609094513 1164766934 /nfs/dbraw/zinc/76/69/34/1164766934.db2.gz DHDAMBKVSMEYCX-UHFFFAOYSA-N -1 1 277.303 1.782 20 0 CDADMM CC(C)CCNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609094513 1164766944 /nfs/dbraw/zinc/76/69/44/1164766944.db2.gz DHDAMBKVSMEYCX-UHFFFAOYSA-N -1 1 277.303 1.782 20 0 CDADMM CC(C)[C@@H]1C[C@@H](Nc2ncncc2-c2nn[n-]n2)CCO1 ZINC001609091503 1164768171 /nfs/dbraw/zinc/76/81/71/1164768171.db2.gz QPMJXGRYUMEISX-ONGXEEELSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)N(C(=O)c1cccc(-c2nnn[n-]2)n1)C(C)C ZINC001609097553 1164770488 /nfs/dbraw/zinc/77/04/88/1164770488.db2.gz YZMIIEBGKRONHN-UHFFFAOYSA-N -1 1 274.328 1.521 20 0 CDADMM CC(C)N(C(=O)c1cccc(-c2nn[n-]n2)n1)C(C)C ZINC001609097553 1164770493 /nfs/dbraw/zinc/77/04/93/1164770493.db2.gz YZMIIEBGKRONHN-UHFFFAOYSA-N -1 1 274.328 1.521 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)C1CCC1 ZINC001609121982 1164779273 /nfs/dbraw/zinc/77/92/73/1164779273.db2.gz NLTCPNFYLYSCCW-SSDOTTSWSA-N -1 1 261.285 1.378 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)C1CCC1 ZINC001609121982 1164779280 /nfs/dbraw/zinc/77/92/80/1164779280.db2.gz NLTCPNFYLYSCCW-SSDOTTSWSA-N -1 1 261.285 1.378 20 0 CDADMM C[C@H]1C[C@H](C)N1S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609157244 1164803854 /nfs/dbraw/zinc/80/38/54/1164803854.db2.gz QGENJJDSFNFQRH-BQBZGAKWSA-N -1 1 299.381 1.100 20 0 CDADMM C[C@H]1C[C@H](C)N1S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609157244 1164803861 /nfs/dbraw/zinc/80/38/61/1164803861.db2.gz QGENJJDSFNFQRH-BQBZGAKWSA-N -1 1 299.381 1.100 20 0 CDADMM C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001609161559 1164807902 /nfs/dbraw/zinc/80/79/02/1164807902.db2.gz VZDDCCRHDZVKIR-BDAKNGLRSA-N -1 1 275.312 1.720 20 0 CDADMM C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001609161559 1164807903 /nfs/dbraw/zinc/80/79/03/1164807903.db2.gz VZDDCCRHDZVKIR-BDAKNGLRSA-N -1 1 275.312 1.720 20 0 CDADMM C[C@@H]1CSCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001609177790 1164820021 /nfs/dbraw/zinc/82/00/21/1164820021.db2.gz DQQPJQFXGWDFEZ-VIFPVBQESA-N -1 1 276.369 1.451 20 0 CDADMM C[C@@H]1CSCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001609177790 1164820030 /nfs/dbraw/zinc/82/00/30/1164820030.db2.gz DQQPJQFXGWDFEZ-VIFPVBQESA-N -1 1 276.369 1.451 20 0 CDADMM CC[C@@H]1CCC[C@H]1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609199825 1164838861 /nfs/dbraw/zinc/83/88/61/1164838861.db2.gz GQGHXSFOMUEFOA-MWLCHTKSSA-N -1 1 286.339 1.570 20 0 CDADMM CC[C@@H]1CCC[C@H]1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609199825 1164838867 /nfs/dbraw/zinc/83/88/67/1164838867.db2.gz GQGHXSFOMUEFOA-MWLCHTKSSA-N -1 1 286.339 1.570 20 0 CDADMM CC/C=C/CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609203242 1164841877 /nfs/dbraw/zinc/84/18/77/1164841877.db2.gz CWLSVTSRNMEDSE-ONEGZZNKSA-N -1 1 273.300 1.349 20 0 CDADMM CC/C=C/CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609203242 1164841882 /nfs/dbraw/zinc/84/18/82/1164841882.db2.gz CWLSVTSRNMEDSE-ONEGZZNKSA-N -1 1 273.300 1.349 20 0 CDADMM CCCC(C)(C)CC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001609204060 1164844319 /nfs/dbraw/zinc/84/43/19/1164844319.db2.gz PGGOMPSJDFZGTA-UHFFFAOYSA-N -1 1 291.359 1.755 20 0 CDADMM CCCC(C)(C)CC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001609204060 1164844324 /nfs/dbraw/zinc/84/43/24/1164844324.db2.gz PGGOMPSJDFZGTA-UHFFFAOYSA-N -1 1 291.359 1.755 20 0 CDADMM CN(CCOc1ccccc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609276396 1164876556 /nfs/dbraw/zinc/87/65/56/1164876556.db2.gz JOTNBBPDACPXDS-UHFFFAOYSA-N -1 1 296.334 1.777 20 0 CDADMM CN(CCOc1ccccc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609276396 1164876561 /nfs/dbraw/zinc/87/65/61/1164876561.db2.gz JOTNBBPDACPXDS-UHFFFAOYSA-N -1 1 296.334 1.777 20 0 CDADMM CO[C@@H](CNc1cccnc1-c1nnn[n-]1)C(F)(F)F ZINC001609310413 1164889370 /nfs/dbraw/zinc/88/93/70/1164889370.db2.gz HKKDWZNUIVUNDA-ZETCQYMHSA-N -1 1 288.233 1.251 20 0 CDADMM CO[C@@H](CNc1cccnc1-c1nn[n-]n1)C(F)(F)F ZINC001609310413 1164889380 /nfs/dbraw/zinc/88/93/80/1164889380.db2.gz HKKDWZNUIVUNDA-ZETCQYMHSA-N -1 1 288.233 1.251 20 0 CDADMM Cc1ccc2c(c1)[C@@H](Nc1cnc(-c3nnn[n-]3)cn1)CO2 ZINC001609428713 1164942245 /nfs/dbraw/zinc/94/22/45/1164942245.db2.gz SLALAKZKLUNEPY-NSHDSACASA-N -1 1 295.306 1.511 20 0 CDADMM Cc1ccc2c(c1)[C@@H](Nc1cnc(-c3nn[n-]n3)cn1)CO2 ZINC001609428713 1164942249 /nfs/dbraw/zinc/94/22/49/1164942249.db2.gz SLALAKZKLUNEPY-NSHDSACASA-N -1 1 295.306 1.511 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCS[C@@H]1C ZINC001609467761 1164965114 /nfs/dbraw/zinc/96/51/14/1164965114.db2.gz SHEPUDRMTFXPPA-VXNVDRBHSA-N -1 1 293.352 1.392 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCS[C@@H]1C ZINC001609467761 1164965124 /nfs/dbraw/zinc/96/51/24/1164965124.db2.gz SHEPUDRMTFXPPA-VXNVDRBHSA-N -1 1 293.352 1.392 20 0 CDADMM Fc1cc(Cn2cnc(-c3nn[n-]n3)n2)ccc1Cl ZINC001609489485 1164975491 /nfs/dbraw/zinc/97/54/91/1164975491.db2.gz ISAZWNSHOJPUGP-UHFFFAOYSA-N -1 1 279.666 1.299 20 0 CDADMM Fc1cc(Cl)c(Oc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001609489512 1164976480 /nfs/dbraw/zinc/97/64/80/1164976480.db2.gz KXRPQXAEHOBBGO-UHFFFAOYSA-N -1 1 293.649 1.637 20 0 CDADMM O=C(NCC1=CCCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001609545582 1164986900 /nfs/dbraw/zinc/98/69/00/1164986900.db2.gz HSTPBRBKCWMBTO-UHFFFAOYSA-N -1 1 284.323 1.492 20 0 CDADMM O=C(NCC1=CCCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001609545582 1164986906 /nfs/dbraw/zinc/98/69/06/1164986906.db2.gz HSTPBRBKCWMBTO-UHFFFAOYSA-N -1 1 284.323 1.492 20 0 CDADMM OC[C@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001609609209 1165004205 /nfs/dbraw/zinc/00/42/05/1165004205.db2.gz HJFKFCLIXUZDHB-QMMMGPOBSA-N -1 1 294.746 1.124 20 0 CDADMM OC[C@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001609609209 1165004208 /nfs/dbraw/zinc/00/42/08/1165004208.db2.gz HJFKFCLIXUZDHB-QMMMGPOBSA-N -1 1 294.746 1.124 20 0 CDADMM Oc1cccc2c1CC[C@@H]2Nc1cnc(-c2nnn[n-]2)cn1 ZINC001609611532 1165007335 /nfs/dbraw/zinc/00/73/35/1165007335.db2.gz IFLOAWWSDDTMPR-JTQLQIEISA-N -1 1 295.306 1.462 20 0 CDADMM Oc1cccc2c1CC[C@@H]2Nc1cnc(-c2nn[n-]n2)cn1 ZINC001609611532 1165007345 /nfs/dbraw/zinc/00/73/45/1165007345.db2.gz IFLOAWWSDDTMPR-JTQLQIEISA-N -1 1 295.306 1.462 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CCC[C@H]2C2CCCC2)n1 ZINC001609619774 1165014275 /nfs/dbraw/zinc/01/42/75/1165014275.db2.gz BYZSXHUOXGZXCQ-LBPRGKRZSA-N -1 1 285.355 1.816 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CCC[C@H]2C2CCCC2)n1 ZINC001609619774 1165014282 /nfs/dbraw/zinc/01/42/82/1165014282.db2.gz BYZSXHUOXGZXCQ-LBPRGKRZSA-N -1 1 285.355 1.816 20 0 CDADMM CC(C)c1ocnc1CNC1(CC(=O)[O-])CCOCC1 ZINC001609723500 1165056978 /nfs/dbraw/zinc/05/69/78/1165056978.db2.gz ZUNZRGXBPBNENI-UHFFFAOYSA-N -1 1 282.340 1.912 20 0 CDADMM CCC[C@@H](C)C(=O)NCCNCc1cc(C(=O)[O-])c(C)o1 ZINC001609954519 1165161307 /nfs/dbraw/zinc/16/13/07/1165161307.db2.gz MKUZGQCGWCVCMH-SNVBAGLBSA-N -1 1 296.367 1.928 20 0 CDADMM Cc1ccccc1NC(=O)[C@H](C)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001610533032 1165341553 /nfs/dbraw/zinc/34/15/53/1165341553.db2.gz UULKUHAXGPFBSF-CIQGVGRVSA-N -1 1 288.347 1.584 20 0 CDADMM O=C([O-])c1coc(CN2CC[C@@H](N3CCCC3=O)C2)c1 ZINC001610867126 1165467931 /nfs/dbraw/zinc/46/79/31/1165467931.db2.gz FYGKFLVJFKWOLX-LLVKDONJSA-N -1 1 278.308 1.175 20 0 CDADMM O=C([O-])c1csc(CN[C@@H]2Cc3cccc(O)c3C2)n1 ZINC001610871290 1165468953 /nfs/dbraw/zinc/46/89/53/1165468953.db2.gz ZKUAGVRJBBDIQU-SECBINFHSA-N -1 1 290.344 1.804 20 0 CDADMM Cn1[n-]c(CSc2nc3ncccc3s2)nc1=O ZINC001614827513 1165547060 /nfs/dbraw/zinc/54/70/60/1165547060.db2.gz LVNGKBXNKLIIFP-UHFFFAOYSA-N -1 1 279.350 1.405 20 0 CDADMM O=S(=O)([N-]c1cccc(CO)c1)c1ccccc1 ZINC000037976941 1165813910 /nfs/dbraw/zinc/81/39/10/1165813910.db2.gz AIUINTSPXWNNQH-UHFFFAOYSA-N -1 1 263.318 1.980 20 0 CDADMM O=C(NCCn1cccn1)c1ccc2ccc(O)cc2c1[O-] ZINC001626569232 1165946537 /nfs/dbraw/zinc/94/65/37/1165946537.db2.gz ZLZBZGFYGKAQHK-UHFFFAOYSA-N -1 1 297.314 1.878 20 0 CDADMM Cn1[n-]c(C(=O)Nc2c(=O)[nH][nH]c2-c2ccccc2)cc1=O ZINC001628392272 1166068492 /nfs/dbraw/zinc/06/84/92/1166068492.db2.gz FWLYBBZHFCYSRW-UHFFFAOYSA-N -1 1 299.290 1.474 20 0 CDADMM Cc1[nH]c2ccccc2c1C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001634152199 1166475467 /nfs/dbraw/zinc/47/54/67/1166475467.db2.gz FHWFKADBVJTAAX-UHFFFAOYSA-N -1 1 298.302 1.608 20 0 CDADMM O=C(NCc1nn[n-]n1)c1ccc(-c2ccccc2)s1 ZINC000095169068 1166605035 /nfs/dbraw/zinc/60/50/35/1166605035.db2.gz JOIIYZLBRBIJPS-UHFFFAOYSA-N -1 1 285.332 1.858 20 0 CDADMM Fc1ccc(OCCCn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000095234560 1166610651 /nfs/dbraw/zinc/61/06/51/1166610651.db2.gz LQIRFEAXYTYJBC-UHFFFAOYSA-N -1 1 289.274 1.066 20 0 CDADMM Cc1ccn(-c2ccc(C(=O)Nc3c[n-][nH]c3=O)cc2)n1 ZINC001638735710 1166867965 /nfs/dbraw/zinc/86/79/65/1166867965.db2.gz VEQRFIPXNKPLQC-UHFFFAOYSA-N -1 1 283.291 1.862 20 0 CDADMM Cc1cc2nccc(NC(=O)c3cncc([O-])c3)n2n1 ZINC001641324711 1167096636 /nfs/dbraw/zinc/09/66/36/1167096636.db2.gz XURWYQYJIWFHDP-UHFFFAOYSA-N -1 1 269.264 1.391 20 0 CDADMM CC(C)(Oc1ccccc1)C(=O)Nc1c[n-][nH]c1=O ZINC001641598052 1167123033 /nfs/dbraw/zinc/12/30/33/1167123033.db2.gz HVSZTYVFVYOOKF-UHFFFAOYSA-N -1 1 261.281 1.911 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1csc(Cl)n1 ZINC001641715703 1167132452 /nfs/dbraw/zinc/13/24/52/1167132452.db2.gz JOCZXOZETMEILL-UHFFFAOYSA-N -1 1 258.690 1.786 20 0 CDADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ncc(C)o1 ZINC001645600788 1167434199 /nfs/dbraw/zinc/43/41/99/1167434199.db2.gz RNRVBKMJGNMDKQ-UHFFFAOYSA-N -1 1 294.336 1.439 20 0 CDADMM CN(C(=O)Cc1ccccc1C(F)(F)F)c1nn[nH]n1 ZINC001646203748 1167694079 /nfs/dbraw/zinc/69/40/79/1167694079.db2.gz MWYJWAQAHXGWRQ-UHFFFAOYSA-N -1 1 285.229 1.424 20 0 CDADMM CN(C(=O)Cc1ccccc1C(F)(F)F)c1nn[n-]n1 ZINC001646203748 1167694084 /nfs/dbraw/zinc/69/40/84/1167694084.db2.gz MWYJWAQAHXGWRQ-UHFFFAOYSA-N -1 1 285.229 1.424 20 0 CDADMM O=C([O-])C1(NC(=O)CCc2cnc[nH]2)Cc2ccccc2C1 ZINC001646253209 1167725518 /nfs/dbraw/zinc/72/55/18/1167725518.db2.gz QPNMKWPPDBJRRD-UHFFFAOYSA-N -1 1 299.330 1.081 20 0 CDADMM Cc1cc2c[nH]nc2cc1NC(=O)CCCc1nn[n-]n1 ZINC001565565299 1168154969 /nfs/dbraw/zinc/15/49/69/1168154969.db2.gz AQOSRAQDYQUMFX-UHFFFAOYSA-N -1 1 285.311 1.346 20 0 CDADMM CC(C)[C@@H](C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)N(C)C ZINC001650023176 1169621808 /nfs/dbraw/zinc/62/18/08/1169621808.db2.gz OIISVNPSHUOKHN-NSHDSACASA-N -1 1 296.371 1.228 20 0 CDADMM CC(C)[C@@H]1C[C@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC001574394098 1170968221 /nfs/dbraw/zinc/96/82/21/1170968221.db2.gz YYICAUVCMDQMTD-UWVGGRQHSA-N -1 1 258.329 1.966 20 0 CDADMM CC(C)[C@@H]1C[C@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC001574394098 1170968228 /nfs/dbraw/zinc/96/82/28/1170968228.db2.gz YYICAUVCMDQMTD-UWVGGRQHSA-N -1 1 258.329 1.966 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1n[nH]c2c1CCCCC2 ZINC001651044552 1171280820 /nfs/dbraw/zinc/28/08/20/1171280820.db2.gz OMOZLFQCKAUICU-UHFFFAOYSA-N -1 1 261.285 1.360 20 0 CDADMM Cc1nn(C)c2nc(C)c(C(=O)Nc3c[n-][nH]c3=O)cc12 ZINC001651044648 1171280886 /nfs/dbraw/zinc/28/08/86/1171280886.db2.gz SFHZGJVKLANYMR-UHFFFAOYSA-N -1 1 286.295 1.266 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC001654603587 1171624601 /nfs/dbraw/zinc/62/46/01/1171624601.db2.gz VDWVQAUMWXRAKE-UHFFFAOYSA-N -1 1 288.238 1.761 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N(C)Cc2cccc(O)c2)n1 ZINC001581411259 1172608240 /nfs/dbraw/zinc/60/82/40/1172608240.db2.gz RTNGCDUJEQODQH-UHFFFAOYSA-N -1 1 297.322 1.307 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N(C)Cc2cccc(O)c2)n1 ZINC001581411259 1172608245 /nfs/dbraw/zinc/60/82/45/1172608245.db2.gz RTNGCDUJEQODQH-UHFFFAOYSA-N -1 1 297.322 1.307 20 0 CDADMM O[C@H](CCOc1cccnc1-c1nnn[n-]1)c1ccccc1 ZINC001582809401 1172693556 /nfs/dbraw/zinc/69/35/56/1172693556.db2.gz WVJXZNFMOUJTAS-GFCCVEGCSA-N -1 1 297.318 1.764 20 0 CDADMM O[C@H](CCOc1cccnc1-c1nn[n-]n1)c1ccccc1 ZINC001582809401 1172693561 /nfs/dbraw/zinc/69/35/61/1172693561.db2.gz WVJXZNFMOUJTAS-GFCCVEGCSA-N -1 1 297.318 1.764 20 0 CDADMM CSc1ncc(C(=O)NCc2ccoc2)c(=O)[n-]1 ZINC001583649316 1172772961 /nfs/dbraw/zinc/77/29/61/1172772961.db2.gz ZKMQDQRSGLTZFA-UHFFFAOYSA-N -1 1 265.294 1.427 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NCC1=CCCCC1 ZINC001588384572 1173055928 /nfs/dbraw/zinc/05/59/28/1173055928.db2.gz XIVIXOMEXMFHIN-UHFFFAOYSA-N -1 1 257.301 1.569 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NCC1=CCCCC1 ZINC001588384572 1173055934 /nfs/dbraw/zinc/05/59/34/1173055934.db2.gz XIVIXOMEXMFHIN-UHFFFAOYSA-N -1 1 257.301 1.569 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NCC1CCC=CCC1 ZINC001588388094 1173059322 /nfs/dbraw/zinc/05/93/22/1173059322.db2.gz ZNWNXPXEMBHNPW-UHFFFAOYSA-N -1 1 271.328 1.815 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NCC1CCC=CCC1 ZINC001588388094 1173059331 /nfs/dbraw/zinc/05/93/31/1173059331.db2.gz ZNWNXPXEMBHNPW-UHFFFAOYSA-N -1 1 271.328 1.815 20 0 CDADMM C=COc1ccc(Nc2ncncc2-c2nn[n-]n2)cc1 ZINC001588716242 1173098571 /nfs/dbraw/zinc/09/85/71/1173098571.db2.gz AQVZJOQZUMMRSA-UHFFFAOYSA-N -1 1 281.279 1.923 20 0 CDADMM CC(C)=CCCOC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589376665 1173139908 /nfs/dbraw/zinc/13/99/08/1173139908.db2.gz JZIWUOVVKXKRBA-UHFFFAOYSA-N -1 1 273.296 1.775 20 0 CDADMM CC(C)=CCCOC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589376665 1173139913 /nfs/dbraw/zinc/13/99/13/1173139913.db2.gz JZIWUOVVKXKRBA-UHFFFAOYSA-N -1 1 273.296 1.775 20 0 CDADMM CC(C)[C@@H]1CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001589509414 1173152537 /nfs/dbraw/zinc/15/25/37/1173152537.db2.gz QBWNZSQSBNKHRL-LLVKDONJSA-N -1 1 286.339 1.380 20 0 CDADMM CC(C)[C@@H]1CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001589509414 1173152543 /nfs/dbraw/zinc/15/25/43/1173152543.db2.gz QBWNZSQSBNKHRL-LLVKDONJSA-N -1 1 286.339 1.380 20 0 CDADMM CC(C)CC[C@@](C)(O)CNc1ncncc1-c1nn[n-]n1 ZINC001589588355 1173159535 /nfs/dbraw/zinc/15/95/35/1173159535.db2.gz OTWJAQMIXNOPOV-CYBMUJFWSA-N -1 1 291.359 1.256 20 0 CDADMM CC(C)CN(C)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589613678 1173159787 /nfs/dbraw/zinc/15/97/87/1173159787.db2.gz CLWBTCGJOZVFGO-UHFFFAOYSA-N -1 1 265.342 1.656 20 0 CDADMM CC(C)c1cnn(Cc2nc(-c3nnn[n-]3)cs2)c1 ZINC001589773314 1173175573 /nfs/dbraw/zinc/17/55/73/1173175573.db2.gz BIKXPUQHCCIJEL-UHFFFAOYSA-N -1 1 275.341 1.691 20 0 CDADMM CC(C)c1cnn(Cc2nc(-c3nn[n-]n3)cs2)c1 ZINC001589773314 1173175576 /nfs/dbraw/zinc/17/55/76/1173175576.db2.gz BIKXPUQHCCIJEL-UHFFFAOYSA-N -1 1 275.341 1.691 20 0 CDADMM C[C@@H](CC1CCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001589801058 1173183468 /nfs/dbraw/zinc/18/34/68/1173183468.db2.gz HBQZXOIOZVANPT-QMMMGPOBSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@@H](CC1CCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001589801058 1173183472 /nfs/dbraw/zinc/18/34/72/1173183472.db2.gz HBQZXOIOZVANPT-QMMMGPOBSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@@H](CC(F)(F)F)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589798414 1173184075 /nfs/dbraw/zinc/18/40/75/1173184075.db2.gz BUTJNHNCFZXBRQ-LURJTMIESA-N -1 1 272.234 1.436 20 0 CDADMM C[C@@H](CC(F)(F)F)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589798414 1173184079 /nfs/dbraw/zinc/18/40/79/1173184079.db2.gz BUTJNHNCFZXBRQ-LURJTMIESA-N -1 1 272.234 1.436 20 0 CDADMM C[C@@H](C[C@@H]1CCOC1)Nc1cccnc1-c1nnn[n-]1 ZINC001589802017 1173185368 /nfs/dbraw/zinc/18/53/68/1173185368.db2.gz GTNGVMGUCXFGGW-UWVGGRQHSA-N -1 1 274.328 1.489 20 0 CDADMM C[C@@H](C[C@@H]1CCOC1)Nc1cccnc1-c1nn[n-]n1 ZINC001589802017 1173185371 /nfs/dbraw/zinc/18/53/71/1173185371.db2.gz GTNGVMGUCXFGGW-UWVGGRQHSA-N -1 1 274.328 1.489 20 0 CDADMM C[C@@H](Cc1ccco1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001589902920 1173197417 /nfs/dbraw/zinc/19/74/17/1173197417.db2.gz NCAXCRBUQOHNJS-ZETCQYMHSA-N -1 1 287.283 1.000 20 0 CDADMM C[C@@H](Cc1ccco1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001589902920 1173197420 /nfs/dbraw/zinc/19/74/20/1173197420.db2.gz NCAXCRBUQOHNJS-ZETCQYMHSA-N -1 1 287.283 1.000 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)C1CCOCC1 ZINC001589944670 1173207351 /nfs/dbraw/zinc/20/73/51/1173207351.db2.gz RBRHSVQNIOSVBF-QMMMGPOBSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)C1CCOCC1 ZINC001589944670 1173207358 /nfs/dbraw/zinc/20/73/58/1173207358.db2.gz RBRHSVQNIOSVBF-QMMMGPOBSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@@]1(C(F)(F)F)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001590072227 1173245607 /nfs/dbraw/zinc/24/56/07/1173245607.db2.gz FCVLBCCUBDPWNU-SNVBAGLBSA-N -1 1 299.260 1.435 20 0 CDADMM C[C@@]1(C(F)(F)F)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001590072227 1173245614 /nfs/dbraw/zinc/24/56/14/1173245614.db2.gz FCVLBCCUBDPWNU-SNVBAGLBSA-N -1 1 299.260 1.435 20 0 CDADMM CC1(C)C[C@@]1(C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590086477 1173251062 /nfs/dbraw/zinc/25/10/62/1173251062.db2.gz KBLQQEHOICLTQR-CYBMUJFWSA-N -1 1 272.312 1.180 20 0 CDADMM CC1(C)C[C@@]1(C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590086477 1173251065 /nfs/dbraw/zinc/25/10/65/1173251065.db2.gz KBLQQEHOICLTQR-CYBMUJFWSA-N -1 1 272.312 1.180 20 0 CDADMM CC1(C)CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)O1 ZINC001590091350 1173254105 /nfs/dbraw/zinc/25/41/05/1173254105.db2.gz UMOVFVIEYLJURY-MRVPVSSYSA-N -1 1 275.316 1.026 20 0 CDADMM CC1(C)CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)O1 ZINC001590091350 1173254111 /nfs/dbraw/zinc/25/41/11/1173254111.db2.gz UMOVFVIEYLJURY-MRVPVSSYSA-N -1 1 275.316 1.026 20 0 CDADMM CC1(C)CCC[C@H](n2cccc(-c3nn[n-]n3)c2=O)C1=O ZINC001590098639 1173256972 /nfs/dbraw/zinc/25/69/72/1173256972.db2.gz XMMAJQAIZMBPNP-JTQLQIEISA-N -1 1 287.323 1.349 20 0 CDADMM Cc1cc(N2CC=C(C)CC2)cc(-c2nnn[n-]2)n1 ZINC001590162430 1173279387 /nfs/dbraw/zinc/27/93/87/1173279387.db2.gz UXFHDQLFRYWSFB-UHFFFAOYSA-N -1 1 256.313 1.727 20 0 CDADMM Cc1cc(N2CC=C(C)CC2)cc(-c2nn[n-]n2)n1 ZINC001590162430 1173279392 /nfs/dbraw/zinc/27/93/92/1173279392.db2.gz UXFHDQLFRYWSFB-UHFFFAOYSA-N -1 1 256.313 1.727 20 0 CDADMM C[C@H]1C[C@@H](C(=O)OCc2ccc(-c3nn[n-]n3)s2)CO1 ZINC001590184094 1173281015 /nfs/dbraw/zinc/28/10/15/1173281015.db2.gz DIKDJXVMMSSXQK-JGVFFNPUSA-N -1 1 294.336 1.396 20 0 CDADMM C[C@H]1C[C@@H](Nc2cccnc2-c2nnn[n-]2)CCO1 ZINC001590208556 1173292224 /nfs/dbraw/zinc/29/22/24/1173292224.db2.gz NYDQQDDZVISYMU-IUCAKERBSA-N -1 1 260.301 1.241 20 0 CDADMM C[C@H]1C[C@@H](Nc2cccnc2-c2nn[n-]n2)CCO1 ZINC001590208556 1173292230 /nfs/dbraw/zinc/29/22/30/1173292230.db2.gz NYDQQDDZVISYMU-IUCAKERBSA-N -1 1 260.301 1.241 20 0 CDADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001590217014 1173294225 /nfs/dbraw/zinc/29/42/25/1173294225.db2.gz CVRVEQDYKPXCMG-SASUGWTJSA-N -1 1 298.350 1.517 20 0 CDADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001590217014 1173294236 /nfs/dbraw/zinc/29/42/36/1173294236.db2.gz CVRVEQDYKPXCMG-SASUGWTJSA-N -1 1 298.350 1.517 20 0 CDADMM C[C@@H]1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001590240158 1173314289 /nfs/dbraw/zinc/31/42/89/1173314289.db2.gz CXQRYIBXPZZILC-GMTAPVOTSA-N -1 1 287.371 1.563 20 0 CDADMM C[C@@H]1CCCCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590260574 1173322142 /nfs/dbraw/zinc/32/21/42/1173322142.db2.gz PSDUNMVOJFKULW-MRVPVSSYSA-N -1 1 277.353 1.943 20 0 CDADMM C[C@H]1CCN1C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590276171 1173325050 /nfs/dbraw/zinc/32/50/50/1173325050.db2.gz JFWARZQYDVCZMN-ZETCQYMHSA-N -1 1 261.260 1.240 20 0 CDADMM C[C@H]1CCN1C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590276171 1173325058 /nfs/dbraw/zinc/32/50/58/1173325058.db2.gz JFWARZQYDVCZMN-ZETCQYMHSA-N -1 1 261.260 1.240 20 0 CDADMM CC[C@@H](C)NC(=S)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590414611 1173400028 /nfs/dbraw/zinc/40/00/28/1173400028.db2.gz QCTUWLCZXZDGDW-ZCFIWIBFSA-N -1 1 297.413 1.086 20 0 CDADMM CC[C@@H](Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1)OC ZINC001590452334 1173416758 /nfs/dbraw/zinc/41/67/58/1173416758.db2.gz QQYCFKOYXXPDKG-NSHDSACASA-N -1 1 299.338 1.550 20 0 CDADMM CC[C@]1(C)CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590489391 1173432226 /nfs/dbraw/zinc/43/22/26/1173432226.db2.gz GFQYLVXWFGAPMF-CQSZACIVSA-N -1 1 286.339 1.524 20 0 CDADMM CC[C@]1(C)CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590489391 1173432232 /nfs/dbraw/zinc/43/22/32/1173432232.db2.gz GFQYLVXWFGAPMF-CQSZACIVSA-N -1 1 286.339 1.524 20 0 CDADMM CCC[C@H](C)CCCn1c(=O)[nH]cc(-c2nn[n-]n2)c1=O ZINC001590549280 1173458310 /nfs/dbraw/zinc/45/83/10/1173458310.db2.gz CZIREMQRJCLVJZ-VIFPVBQESA-N -1 1 292.343 1.345 20 0 CDADMM CCSCC[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590853552 1173528394 /nfs/dbraw/zinc/52/83/94/1173528394.db2.gz PKZCXENGJFKCTL-MRVPVSSYSA-N -1 1 293.400 1.909 20 0 CDADMM CC[C@@H]1C[C@H]1NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590860647 1173531977 /nfs/dbraw/zinc/53/19/77/1173531977.db2.gz VNEOYCLCYNOIAN-VXNVDRBHSA-N -1 1 273.300 1.182 20 0 CDADMM CC[C@@H]1C[C@H]1NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590860647 1173531980 /nfs/dbraw/zinc/53/19/80/1173531980.db2.gz VNEOYCLCYNOIAN-VXNVDRBHSA-N -1 1 273.300 1.182 20 0 CDADMM CCc1nocc1CNCc1nc(-c2nnn[n-]2)cs1 ZINC001590936982 1173547732 /nfs/dbraw/zinc/54/77/32/1173547732.db2.gz SHOJFLNZQSQCMW-UHFFFAOYSA-N -1 1 291.340 1.163 20 0 CDADMM CCc1nocc1CNCc1nc(-c2nn[n-]n2)cs1 ZINC001590936982 1173547737 /nfs/dbraw/zinc/54/77/37/1173547737.db2.gz SHOJFLNZQSQCMW-UHFFFAOYSA-N -1 1 291.340 1.163 20 0 CDADMM CN(Cc1cccs1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591149558 1173582879 /nfs/dbraw/zinc/58/28/79/1173582879.db2.gz OHZCRKOASHDRAI-UHFFFAOYSA-N -1 1 289.320 1.793 20 0 CDADMM CN(Cc1cccs1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591149558 1173582881 /nfs/dbraw/zinc/58/28/81/1173582881.db2.gz OHZCRKOASHDRAI-UHFFFAOYSA-N -1 1 289.320 1.793 20 0 CDADMM CN1CC[C@@H](Sc2cccc(F)c2-c2nn[n-]n2)C1=O ZINC001591180079 1173590301 /nfs/dbraw/zinc/59/03/01/1173590301.db2.gz IAIHFKRUJSHNFB-SECBINFHSA-N -1 1 293.327 1.329 20 0 CDADMM CO[C@H]1CN(c2ccc(C)c(-c3nnn[n-]3)n2)CC[C@H]1C ZINC001591359321 1173628091 /nfs/dbraw/zinc/62/80/91/1173628091.db2.gz CMCZLWYBQCOUNT-KOLCDFICSA-N -1 1 288.355 1.431 20 0 CDADMM CO[C@H]1CN(c2ccc(C)c(-c3nn[n-]n3)n2)CC[C@H]1C ZINC001591359321 1173628094 /nfs/dbraw/zinc/62/80/94/1173628094.db2.gz CMCZLWYBQCOUNT-KOLCDFICSA-N -1 1 288.355 1.431 20 0 CDADMM COCC1=CCN(c2ccc(C)c(-c3nnn[n-]3)n2)CC1 ZINC001591392741 1173641954 /nfs/dbraw/zinc/64/19/54/1173641954.db2.gz RTYVHQPMQLEGSQ-UHFFFAOYSA-N -1 1 286.339 1.353 20 0 CDADMM COCC1=CCN(c2ccc(C)c(-c3nn[n-]n3)n2)CC1 ZINC001591392741 1173641956 /nfs/dbraw/zinc/64/19/56/1173641956.db2.gz RTYVHQPMQLEGSQ-UHFFFAOYSA-N -1 1 286.339 1.353 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCC(C)(C)n2ccnc2)n1 ZINC001591894265 1173742175 /nfs/dbraw/zinc/74/21/75/1173742175.db2.gz WMLWJBBLQUMRAU-UHFFFAOYSA-N -1 1 299.342 1.009 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCCc2ccns2)n1 ZINC001591899271 1173745255 /nfs/dbraw/zinc/74/52/55/1173745255.db2.gz CIYFMOTVWTYFGJ-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCCc2ccns2)n1 ZINC001591899271 1173745261 /nfs/dbraw/zinc/74/52/61/1173745261.db2.gz CIYFMOTVWTYFGJ-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM Cc1cc(N2CC[C@@H](C(C)(C)O)C2)cc(-c2nnn[n-]2)n1 ZINC001591999439 1173768887 /nfs/dbraw/zinc/76/88/87/1173768887.db2.gz GYYLNVRAWMQHNV-SNVBAGLBSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(N2CC[C@@H](C(C)(C)O)C2)cc(-c2nn[n-]n2)n1 ZINC001591999439 1173768891 /nfs/dbraw/zinc/76/88/91/1173768891.db2.gz GYYLNVRAWMQHNV-SNVBAGLBSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(NCCC(F)(F)F)nc(-c2nn[n-]n2)c1 ZINC001592046300 1173787626 /nfs/dbraw/zinc/78/76/26/1173787626.db2.gz RLHMKMXUUNCUSW-UHFFFAOYSA-N -1 1 272.234 1.934 20 0 CDADMM Cc1cc(NCCC(F)(F)F)nc(-c2nnn[n-]2)c1 ZINC001592046300 1173787621 /nfs/dbraw/zinc/78/76/21/1173787621.db2.gz RLHMKMXUUNCUSW-UHFFFAOYSA-N -1 1 272.234 1.934 20 0 CDADMM Cc1ccc(N2C[C@@H](C)S[C@@H](C)C2)nc1-c1nnn[n-]1 ZINC001592175787 1173823208 /nfs/dbraw/zinc/82/32/08/1173823208.db2.gz VFBRDFNZLUKCGI-AOOOYVTPSA-N -1 1 290.396 1.900 20 0 CDADMM Cc1ccc(N2C[C@@H](C)S[C@@H](C)C2)nc1-c1nn[n-]n1 ZINC001592175787 1173823211 /nfs/dbraw/zinc/82/32/11/1173823211.db2.gz VFBRDFNZLUKCGI-AOOOYVTPSA-N -1 1 290.396 1.900 20 0 CDADMM Cc1ccc(N2CC[C@]3(CCOC3)C2)c(-c2nnn[n-]2)n1 ZINC001592177697 1173825366 /nfs/dbraw/zinc/82/53/66/1173825366.db2.gz GBGOGUSBPPOMNI-AWEZNQCLSA-N -1 1 286.339 1.187 20 0 CDADMM Cc1ccc(N2CC[C@]3(CCOC3)C2)c(-c2nn[n-]n2)n1 ZINC001592177697 1173825370 /nfs/dbraw/zinc/82/53/70/1173825370.db2.gz GBGOGUSBPPOMNI-AWEZNQCLSA-N -1 1 286.339 1.187 20 0 CDADMM Cc1ccc(NC[C@@H](CO)CC2CC2)nc1-c1nnn[n-]1 ZINC001592183930 1173827999 /nfs/dbraw/zinc/82/79/99/1173827999.db2.gz ZDMNKIGGYULMIL-NSHDSACASA-N -1 1 288.355 1.391 20 0 CDADMM Cc1ccc(NC[C@@H](CO)CC2CC2)nc1-c1nn[n-]n1 ZINC001592183930 1173828001 /nfs/dbraw/zinc/82/80/01/1173828001.db2.gz ZDMNKIGGYULMIL-NSHDSACASA-N -1 1 288.355 1.391 20 0 CDADMM Cc1ccc(NC[C@@H]2CCOC[C@H]2C)nc1-c1nnn[n-]1 ZINC001592183718 1173829074 /nfs/dbraw/zinc/82/90/74/1173829074.db2.gz VNPQDLYRBYUASO-MNOVXSKESA-N -1 1 288.355 1.655 20 0 CDADMM Cc1ccc(NC[C@@H]2CCOC[C@H]2C)nc1-c1nn[n-]n1 ZINC001592183718 1173829078 /nfs/dbraw/zinc/82/90/78/1173829078.db2.gz VNPQDLYRBYUASO-MNOVXSKESA-N -1 1 288.355 1.655 20 0 CDADMM Cc1ccc(NC[C@H]2CCO[C@H](C)C2)nc1-c1nnn[n-]1 ZINC001592183575 1173829454 /nfs/dbraw/zinc/82/94/54/1173829454.db2.gz UPJGENFGVJXUFS-MNOVXSKESA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(NC[C@H]2CCO[C@H](C)C2)nc1-c1nn[n-]n1 ZINC001592183575 1173829459 /nfs/dbraw/zinc/82/94/59/1173829459.db2.gz UPJGENFGVJXUFS-MNOVXSKESA-N -1 1 288.355 1.797 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@H]2CC=CCC2)c1-c1nn[n-]n1 ZINC001592327069 1173854889 /nfs/dbraw/zinc/85/48/89/1173854889.db2.gz AXHOKPZILKRRNI-QMMMGPOBSA-N -1 1 273.300 1.193 20 0 CDADMM Cc1[nH]nc(NCc2ccc3c(n2)CCC3)c1-c1nnn[n-]1 ZINC001592331301 1173857591 /nfs/dbraw/zinc/85/75/91/1173857591.db2.gz ZSKPDCZSAOBKBE-UHFFFAOYSA-N -1 1 296.338 1.394 20 0 CDADMM Cc1[nH]nc(NCc2ccc3c(n2)CCC3)c1-c1nn[n-]n1 ZINC001592331301 1173857598 /nfs/dbraw/zinc/85/75/98/1173857598.db2.gz ZSKPDCZSAOBKBE-UHFFFAOYSA-N -1 1 296.338 1.394 20 0 CDADMM Cc1nc(N[C@@H]2CC=CC[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592393894 1173879860 /nfs/dbraw/zinc/87/98/60/1173879860.db2.gz SXIBDWVTLXVJIP-PSASIEDQSA-N -1 1 271.328 1.732 20 0 CDADMM Cc1nc(N[C@@H]2CC=CC[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592393894 1173879866 /nfs/dbraw/zinc/87/98/66/1173879866.db2.gz SXIBDWVTLXVJIP-PSASIEDQSA-N -1 1 271.328 1.732 20 0 CDADMM Cc1nc(S[C@@H]2CCO[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592397266 1173881042 /nfs/dbraw/zinc/88/10/42/1173881042.db2.gz MLLQTEWWMPVFGG-IMTBSYHQSA-N -1 1 278.341 1.235 20 0 CDADMM Cc1nc(S[C@@H]2CCO[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592397266 1173881047 /nfs/dbraw/zinc/88/10/47/1173881047.db2.gz MLLQTEWWMPVFGG-IMTBSYHQSA-N -1 1 278.341 1.235 20 0 CDADMM Cc1ncoc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592422364 1173888529 /nfs/dbraw/zinc/88/85/29/1173888529.db2.gz GJZQJXJBLKVIQL-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1noc(C)c1COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592458911 1173896970 /nfs/dbraw/zinc/89/69/70/1173896970.db2.gz DPGNHUTYQJCMPG-UHFFFAOYSA-N -1 1 289.251 1.422 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@H]1CCSC1 ZINC001592504085 1173908831 /nfs/dbraw/zinc/90/88/31/1173908831.db2.gz SWLIYVBLKOAVIW-ZETCQYMHSA-N -1 1 280.309 1.430 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@H]1CCSC1 ZINC001592504085 1173908837 /nfs/dbraw/zinc/90/88/37/1173908837.db2.gz SWLIYVBLKOAVIW-ZETCQYMHSA-N -1 1 280.309 1.430 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCC[C@H](C)O ZINC001592503037 1173908975 /nfs/dbraw/zinc/90/89/75/1173908975.db2.gz AMBCWUJGFRIZSC-ZETCQYMHSA-N -1 1 280.284 1.086 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCC[C@H](C)O ZINC001592503037 1173908980 /nfs/dbraw/zinc/90/89/80/1173908980.db2.gz AMBCWUJGFRIZSC-ZETCQYMHSA-N -1 1 280.284 1.086 20 0 CDADMM FC1(F)CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001592628024 1173935259 /nfs/dbraw/zinc/93/52/59/1173935259.db2.gz LQXXXNANKCTKCQ-UHFFFAOYSA-N -1 1 266.255 1.497 20 0 CDADMM FC1(F)CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001592628024 1173935262 /nfs/dbraw/zinc/93/52/62/1173935262.db2.gz LQXXXNANKCTKCQ-UHFFFAOYSA-N -1 1 266.255 1.497 20 0 CDADMM O=C(NCCF)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001593082643 1174022398 /nfs/dbraw/zinc/02/23/98/1174022398.db2.gz PTAINODVAIRRGK-UHFFFAOYSA-N -1 1 291.699 1.068 20 0 CDADMM O=C(NCC=CCl)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593056890 1174018068 /nfs/dbraw/zinc/01/80/68/1174018068.db2.gz RVFQFVDZAIOXOY-RJRFIUFISA-N -1 1 299.121 1.397 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1CC12CCCC2 ZINC001593197583 1174032084 /nfs/dbraw/zinc/03/20/84/1174032084.db2.gz MLKGKJICNJRZKK-QMMMGPOBSA-N -1 1 273.300 1.109 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1CC12CCCC2 ZINC001593197583 1174032090 /nfs/dbraw/zinc/03/20/90/1174032090.db2.gz MLKGKJICNJRZKK-QMMMGPOBSA-N -1 1 273.300 1.109 20 0 CDADMM O=C(Nc1cc(F)ccc1O)c1ccc(-c2nn[n-]n2)o1 ZINC001593210461 1174033569 /nfs/dbraw/zinc/03/35/69/1174033569.db2.gz VIPABMNCTLILPT-UHFFFAOYSA-N -1 1 289.226 1.557 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001593243920 1174040869 /nfs/dbraw/zinc/04/08/69/1174040869.db2.gz RYFNVEYWKJXZKN-BBBLOLIVSA-N -1 1 284.323 1.636 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001593243920 1174040879 /nfs/dbraw/zinc/04/08/79/1174040879.db2.gz RYFNVEYWKJXZKN-BBBLOLIVSA-N -1 1 284.323 1.636 20 0 CDADMM O=C(OCCC1CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593287103 1174055562 /nfs/dbraw/zinc/05/55/62/1174055562.db2.gz SXSGKVVDISZGQJ-UHFFFAOYSA-N -1 1 276.271 1.963 20 0 CDADMM O=C(OCCC1CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593287103 1174055565 /nfs/dbraw/zinc/05/55/65/1174055565.db2.gz SXSGKVVDISZGQJ-UHFFFAOYSA-N -1 1 276.271 1.963 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(CC1CC1)C1CCC1 ZINC001593337139 1174066871 /nfs/dbraw/zinc/06/68/71/1174066871.db2.gz QWVIOYTVYGTFPS-UHFFFAOYSA-N -1 1 298.350 1.666 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(CC1CC1)C1CCC1 ZINC001593337139 1174066877 /nfs/dbraw/zinc/06/68/77/1174066877.db2.gz QWVIOYTVYGTFPS-UHFFFAOYSA-N -1 1 298.350 1.666 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1Cc1ccccc1CF ZINC001593495297 1174086422 /nfs/dbraw/zinc/08/64/22/1174086422.db2.gz UGUOICNHGOTQRK-UHFFFAOYSA-N -1 1 285.282 1.546 20 0 CDADMM OCC[C@H]1CCCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001593530540 1174105480 /nfs/dbraw/zinc/10/54/80/1174105480.db2.gz JYOXTHCLCPQXNP-NSHDSACASA-N -1 1 288.355 1.251 20 0 CDADMM OCC[C@H]1CCCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001593530540 1174105484 /nfs/dbraw/zinc/10/54/84/1174105484.db2.gz JYOXTHCLCPQXNP-NSHDSACASA-N -1 1 288.355 1.251 20 0 CDADMM OCCCCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001593530460 1174105809 /nfs/dbraw/zinc/10/58/09/1174105809.db2.gz GQILSDUJCMKJLZ-UHFFFAOYSA-N -1 1 298.350 1.989 20 0 CDADMM OCCCCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001593530460 1174105810 /nfs/dbraw/zinc/10/58/10/1174105810.db2.gz GQILSDUJCMKJLZ-UHFFFAOYSA-N -1 1 298.350 1.989 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CCOC[C@H]2C2CCC2)c1 ZINC001593549696 1174121255 /nfs/dbraw/zinc/12/12/55/1174121255.db2.gz BCLMSMACLOBFSW-LBPRGKRZSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CCOC[C@H]2C2CCC2)c1 ZINC001593549696 1174121259 /nfs/dbraw/zinc/12/12/59/1174121259.db2.gz BCLMSMACLOBFSW-LBPRGKRZSA-N -1 1 286.339 1.267 20 0 CDADMM c1coc(C2CCN(c3ccnc(-c4nnn[n-]4)c3)CC2)n1 ZINC001593559807 1174135507 /nfs/dbraw/zinc/13/55/07/1174135507.db2.gz RMPIMOGWJZZIQN-UHFFFAOYSA-N -1 1 297.322 1.634 20 0 CDADMM c1coc(C2CCN(c3ccnc(-c4nn[n-]n4)c3)CC2)n1 ZINC001593559807 1174135512 /nfs/dbraw/zinc/13/55/12/1174135512.db2.gz RMPIMOGWJZZIQN-UHFFFAOYSA-N -1 1 297.322 1.634 20 0 CDADMM c1nn2c(c1CNc1cccc(-c3nnn[n-]3)n1)CCCC2 ZINC001593561486 1174138341 /nfs/dbraw/zinc/13/83/41/1174138341.db2.gz SSJRDZFWRLEXRL-UHFFFAOYSA-N -1 1 296.338 1.407 20 0 CDADMM c1nn2c(c1CNc1cccc(-c3nn[n-]n3)n1)CCCC2 ZINC001593561486 1174138344 /nfs/dbraw/zinc/13/83/44/1174138344.db2.gz SSJRDZFWRLEXRL-UHFFFAOYSA-N -1 1 296.338 1.407 20 0 CDADMM c1ccc(CC2CN(c3ccnc(-c4nnn[n-]4)c3)C2)cc1 ZINC001593572113 1174143237 /nfs/dbraw/zinc/14/32/37/1174143237.db2.gz POVNCXPYQPBESN-UHFFFAOYSA-N -1 1 292.346 1.941 20 0 CDADMM c1ccc(CC2CN(c3ccnc(-c4nn[n-]n4)c3)C2)cc1 ZINC001593572113 1174143239 /nfs/dbraw/zinc/14/32/39/1174143239.db2.gz POVNCXPYQPBESN-UHFFFAOYSA-N -1 1 292.346 1.941 20 0 CDADMM c1ccc([C@@H]2CCN(c3ncncc3-c3nn[n-]n3)C2)nc1 ZINC001593573311 1174144843 /nfs/dbraw/zinc/14/48/43/1174144843.db2.gz ODILEZXJRKFSLH-SNVBAGLBSA-N -1 1 294.322 1.046 20 0 CDADMM c1cnc(N2CC(C3CCCC3)C2)c(-c2nnn[n-]2)n1 ZINC001593584045 1174151451 /nfs/dbraw/zinc/15/14/51/1174151451.db2.gz SMBTZPBILXBPDX-UHFFFAOYSA-N -1 1 271.328 1.283 20 0 CDADMM c1cnc(N2CC(C3CCCC3)C2)c(-c2nn[n-]n2)n1 ZINC001593584045 1174151454 /nfs/dbraw/zinc/15/14/54/1174151454.db2.gz SMBTZPBILXBPDX-UHFFFAOYSA-N -1 1 271.328 1.283 20 0 CDADMM c1cnc2c(c1)CN(c1ccnc(-c3nnn[n-]3)c1)C2 ZINC001593587638 1174155135 /nfs/dbraw/zinc/15/51/35/1174155135.db2.gz MRKRHHKMSNWKCR-UHFFFAOYSA-N -1 1 265.280 1.177 20 0 CDADMM c1cnc2c(c1)CN(c1ccnc(-c3nn[n-]n3)c1)C2 ZINC001593587638 1174155137 /nfs/dbraw/zinc/15/51/37/1174155137.db2.gz MRKRHHKMSNWKCR-UHFFFAOYSA-N -1 1 265.280 1.177 20 0 CDADMM c1nc(N[C@@H]2CCCC3(CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001593590636 1174156998 /nfs/dbraw/zinc/15/69/98/1174156998.db2.gz ATVHWQWFCKIWSK-SECBINFHSA-N -1 1 271.328 1.791 20 0 CDADMM c1nc(N[C@@H]2CCCC3(CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001593590636 1174157010 /nfs/dbraw/zinc/15/70/10/1174157010.db2.gz ATVHWQWFCKIWSK-SECBINFHSA-N -1 1 271.328 1.791 20 0 CDADMM c1nc(N2CC[C@@H]3CCC[C@@H]32)cnc1-c1nnn[n-]1 ZINC001593591095 1174160285 /nfs/dbraw/zinc/16/02/85/1174160285.db2.gz LHQNTSFHKROCPS-WPRPVWTQSA-N -1 1 257.301 1.036 20 0 CDADMM c1nc(N2CC[C@@H]3CCC[C@@H]32)cnc1-c1nn[n-]n1 ZINC001593591095 1174160290 /nfs/dbraw/zinc/16/02/90/1174160290.db2.gz LHQNTSFHKROCPS-WPRPVWTQSA-N -1 1 257.301 1.036 20 0 CDADMM Cc1cc(C(=O)[O-])cc(C(=O)N2CC[C@@H](N3CCC3)C2)c1 ZINC001600109910 1174364584 /nfs/dbraw/zinc/36/45/84/1174364584.db2.gz OPKIEWMWGZNFLG-CQSZACIVSA-N -1 1 288.347 1.613 20 0 CDADMM Cc1cc(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)oc1C(=O)[O-] ZINC001600201689 1174405044 /nfs/dbraw/zinc/40/50/44/1174405044.db2.gz JICIDZCGXQPMJF-NXEZZACHSA-N -1 1 289.291 1.429 20 0 CDADMM O=C([O-])CC1CCN(CC(=O)N2CCCCC2)CC1 ZINC000093680901 1174448900 /nfs/dbraw/zinc/44/89/00/1174448900.db2.gz QBQBGPJHHOBYLM-UHFFFAOYSA-N -1 1 268.357 1.186 20 0 CDADMM Cc1ccccc1[C@@H](O)CN1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001600574293 1174510282 /nfs/dbraw/zinc/51/02/82/1174510282.db2.gz QARGBPPINLZLIU-UBHSHLNASA-N -1 1 279.336 1.202 20 0 CDADMM Cc1ccncc1CN1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001600605614 1174524191 /nfs/dbraw/zinc/52/41/91/1174524191.db2.gz WXRASSGMYWKURR-GFCCVEGCSA-N -1 1 287.323 1.127 20 0 CDADMM Cc1cnn([C@@H]2CCN(Cc3cccc(C(=O)[O-])n3)C2)c1 ZINC001600637375 1174545531 /nfs/dbraw/zinc/54/55/31/1174545531.db2.gz ROWBVSANYBFNJH-CYBMUJFWSA-N -1 1 286.335 1.732 20 0 CDADMM Cc1nc([C@H](C)NCc2ccccc2OCC(=O)[O-])n[nH]1 ZINC001600792651 1174611737 /nfs/dbraw/zinc/61/17/37/1174611737.db2.gz RUASAKUPZBXWLB-VIFPVBQESA-N -1 1 290.323 1.427 20 0 CDADMM CN1CC(C(=O)NCC2(CC(=O)[O-])CCCCC2)=NC1=O ZINC001600929719 1174667346 /nfs/dbraw/zinc/66/73/46/1174667346.db2.gz CLWBDWRARDHMEC-UHFFFAOYSA-N -1 1 295.339 1.281 20 0 CDADMM Cn1cc(CNc2nc3cccc(C(=O)[O-])c3[nH]2)cn1 ZINC001600956161 1174680031 /nfs/dbraw/zinc/68/00/31/1174680031.db2.gz LONJWTGGVGJWMI-UHFFFAOYSA-N -1 1 271.280 1.607 20 0 CDADMM Cn1ncnc1C[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001601038874 1174711358 /nfs/dbraw/zinc/71/13/58/1174711358.db2.gz PMVYFEWQXDGXLP-CHWSQXEVSA-N -1 1 286.335 1.115 20 0 CDADMM Cn1ncnc1CN1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001601038874 1174711361 /nfs/dbraw/zinc/71/13/61/1174711361.db2.gz PMVYFEWQXDGXLP-CHWSQXEVSA-N -1 1 286.335 1.115 20 0 CDADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001601568497 1174901926 /nfs/dbraw/zinc/90/19/26/1174901926.db2.gz VIIMWGCOWIDLDK-YNEHKIRRSA-N -1 1 291.351 1.348 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)c3c[nH]cn3)[nH]c21 ZINC001601630109 1174916767 /nfs/dbraw/zinc/91/67/67/1174916767.db2.gz AAWDMQLQJLWOCC-UHFFFAOYSA-N -1 1 271.236 1.237 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001601760726 1174993413 /nfs/dbraw/zinc/99/34/13/1174993413.db2.gz MFRVBPFZPMCYPD-GHMZBOCLSA-N -1 1 294.355 1.366 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001601760726 1174993415 /nfs/dbraw/zinc/99/34/15/1174993415.db2.gz MFRVBPFZPMCYPD-GHMZBOCLSA-N -1 1 294.355 1.366 20 0 CDADMM O=C([O-])[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC001601826997 1175027443 /nfs/dbraw/zinc/02/74/43/1175027443.db2.gz QFZMWKFPLIFODC-KOLCDFICSA-N -1 1 283.711 1.872 20 0 CDADMM O=C([O-])CC[N@H+](CC(=O)[O-])C[C@@H]1CCC(F)(F)C1 ZINC001602004925 1175107217 /nfs/dbraw/zinc/10/72/17/1175107217.db2.gz PRSLYHDZCGCAQU-MRVPVSSYSA-N -1 1 265.256 1.283 20 0 CDADMM O=C([O-])[C@@H]1CN(Cc2cnon2)C[C@H]1c1ccc(O)cc1 ZINC001602189608 1175156585 /nfs/dbraw/zinc/15/65/85/1175156585.db2.gz BIHMHKXKWZXADF-QWHCGFSZSA-N -1 1 289.291 1.075 20 0 CDADMM O=C([O-])[C@@H]1CN(CN2CCCC2=O)C[C@H]1c1ccccc1 ZINC001602189045 1175156674 /nfs/dbraw/zinc/15/66/74/1175156674.db2.gz XOOLDJNLKBAIRQ-UONOGXRCSA-N -1 1 288.347 1.367 20 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/nfs/dbraw/zinc/24/09/37/1175240937.db2.gz GZYWKWVXUHCMAA-VIFPVBQESA-N -1 1 269.728 1.995 20 0 CDADMM Cc1cccc(F)c1[N-]S(=O)(=O)c1cn[nH]c1 ZINC000123038929 1175248095 /nfs/dbraw/zinc/24/80/95/1175248095.db2.gz BHNLOJBSLQUROK-UHFFFAOYSA-N -1 1 255.274 1.658 20 0 CDADMM O=C([O-])c1cncnc1NCc1n[nH]c(-c2ccccc2)n1 ZINC001602543513 1175284380 /nfs/dbraw/zinc/28/43/80/1175284380.db2.gz SJGFJHVLNSLAQD-UHFFFAOYSA-N -1 1 296.290 1.572 20 0 CDADMM O=C([O-])c1cncnc1NCc1nc(-c2ccccc2)n[nH]1 ZINC001602543513 1175284390 /nfs/dbraw/zinc/28/43/90/1175284390.db2.gz SJGFJHVLNSLAQD-UHFFFAOYSA-N -1 1 296.290 1.572 20 0 CDADMM C/C(=C\C(=O)[O-])CN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC001602957070 1175459282 /nfs/dbraw/zinc/45/92/82/1175459282.db2.gz DHEKADWTDZDHNH-VCFDLTMXSA-N -1 1 269.732 1.814 20 0 CDADMM CC(C)(C(=O)Nc1cccc(-c2nnn[n-]2)n1)C(F)F ZINC001603048543 1175483389 /nfs/dbraw/zinc/48/33/89/1175483389.db2.gz LMKNYPMCHHGYKW-UHFFFAOYSA-N -1 1 282.254 1.492 20 0 CDADMM CC(C)(C(=O)Nc1cccc(-c2nn[n-]n2)n1)C(F)F 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252.299 1.741 20 0 CDADMM CC(C)(C)[C@H](CC(=O)[O-])NCc1nnnn1C(C)(C)C ZINC001603305409 1175535916 /nfs/dbraw/zinc/53/59/16/1175535916.db2.gz BGQSYEAVNQOPOF-VIFPVBQESA-N -1 1 283.376 1.407 20 0 CDADMM CC(C)Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001603314380 1175538618 /nfs/dbraw/zinc/53/86/18/1175538618.db2.gz SQMVFBZNUIDAOY-UHFFFAOYSA-N -1 1 269.312 1.781 20 0 CDADMM CC(C)c1nnc(Cn2ccnc2-c2nn[n-]n2)s1 ZINC001603418978 1175552365 /nfs/dbraw/zinc/55/23/65/1175552365.db2.gz QWYGHIRJZMNGJA-UHFFFAOYSA-N -1 1 276.329 1.086 20 0 CDADMM CC(C)c1nnc(Cn2ccnc2-c2nnn[n-]2)s1 ZINC001603418978 1175552360 /nfs/dbraw/zinc/55/23/60/1175552360.db2.gz QWYGHIRJZMNGJA-UHFFFAOYSA-N -1 1 276.329 1.086 20 0 CDADMM C[C@@H](OC(=O)c1coc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001603704479 1175605014 /nfs/dbraw/zinc/60/50/14/1175605014.db2.gz AFNFJVIHWWUWEG-SCSAIBSYSA-N -1 1 276.174 1.567 20 0 CDADMM C[C@@H](OC(=O)c1coc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001603704479 1175605019 /nfs/dbraw/zinc/60/50/19/1175605019.db2.gz 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CN(C)C(=O)CC1CCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000833687322 605855202 /nfs/dbraw/zinc/85/52/02/605855202.db2.gz FIPYHJSBGGYPKV-UHFFFAOYSA-N -1 1 294.351 1.668 20 0 CDADMM CCC[C@H](C)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821015647 606157212 /nfs/dbraw/zinc/15/72/12/606157212.db2.gz RPBOXHZAWQQCCD-QMMMGPOBSA-N -1 1 292.347 1.253 20 0 CDADMM CCC[C@H](C)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821015647 606157214 /nfs/dbraw/zinc/15/72/14/606157214.db2.gz RPBOXHZAWQQCCD-QMMMGPOBSA-N -1 1 292.347 1.253 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1C[C@@H]1C1CC1 ZINC000823289734 606293530 /nfs/dbraw/zinc/29/35/30/606293530.db2.gz OCQUJAHHDYCMRU-NXEZZACHSA-N -1 1 285.307 1.557 20 0 CDADMM Cn1ccnc1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822699186 606465604 /nfs/dbraw/zinc/46/56/04/606465604.db2.gz RGFFNHRHYMRTLW-UHFFFAOYSA-N -1 1 290.718 1.261 20 0 CDADMM Cn1ccnc1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822699186 606465605 /nfs/dbraw/zinc/46/56/05/606465605.db2.gz RGFFNHRHYMRTLW-UHFFFAOYSA-N -1 1 290.718 1.261 20 0 CDADMM CCCCOCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821072214 606535812 /nfs/dbraw/zinc/53/58/12/606535812.db2.gz RYLKYLNWIYNCQX-UHFFFAOYSA-N -1 1 295.368 1.475 20 0 CDADMM CCCCOCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821072214 606535814 /nfs/dbraw/zinc/53/58/14/606535814.db2.gz RYLKYLNWIYNCQX-UHFFFAOYSA-N -1 1 295.368 1.475 20 0 CDADMM Cn1cccc1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822694001 606579754 /nfs/dbraw/zinc/57/97/54/606579754.db2.gz QVJZJMFYFUAEHE-UHFFFAOYSA-N -1 1 288.336 1.197 20 0 CDADMM Cn1cccc1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822694001 606579755 /nfs/dbraw/zinc/57/97/55/606579755.db2.gz QVJZJMFYFUAEHE-UHFFFAOYSA-N -1 1 288.336 1.197 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CC12CCCC2 ZINC000823436268 606649894 /nfs/dbraw/zinc/64/98/94/606649894.db2.gz ODQSNGWMGVRKIB-NSHDSACASA-N -1 1 299.334 1.885 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CC12CCCC2 ZINC000823436268 606649895 /nfs/dbraw/zinc/64/98/95/606649895.db2.gz ODQSNGWMGVRKIB-NSHDSACASA-N -1 1 299.334 1.885 20 0 CDADMM O=C(NC[C@@H]1CCCS1)c1ccc(-c2nnn[n-]2)s1 ZINC000823175663 606809852 /nfs/dbraw/zinc/80/98/52/606809852.db2.gz LTVAPFXGHGUUOL-ZETCQYMHSA-N -1 1 295.393 1.554 20 0 CDADMM O=C(NC[C@@H]1CCCS1)c1ccc(-c2nn[n-]n2)s1 ZINC000823175663 606809853 /nfs/dbraw/zinc/80/98/53/606809853.db2.gz LTVAPFXGHGUUOL-ZETCQYMHSA-N -1 1 295.393 1.554 20 0 CDADMM C[C@H]1CC[C@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])O1 ZINC000820674539 606967175 /nfs/dbraw/zinc/96/71/75/606967175.db2.gz DTSGGTHDRXXYKW-WRWORJQWSA-N -1 1 289.295 1.078 20 0 CDADMM Fc1cccc(OC[C@H]2CCCO2)c1-c1nnn[n-]1 ZINC000095338510 607864239 /nfs/dbraw/zinc/86/42/39/607864239.db2.gz CWBVUMZXVDTOPS-MRVPVSSYSA-N -1 1 264.260 1.564 20 0 CDADMM Fc1cccc(OC[C@H]2CCCO2)c1-c1nn[n-]n1 ZINC000095338510 607864240 /nfs/dbraw/zinc/86/42/40/607864240.db2.gz CWBVUMZXVDTOPS-MRVPVSSYSA-N -1 1 264.260 1.564 20 0 CDADMM COc1cc(CNc2cccc(-c3nnn[n-]3)n2)ccc1O ZINC000826179431 607896257 /nfs/dbraw/zinc/89/62/57/607896257.db2.gz OACAUKQXGSXRPV-UHFFFAOYSA-N -1 1 298.306 1.588 20 0 CDADMM COc1cc(CNc2cccc(-c3nn[n-]n3)n2)ccc1O ZINC000826179431 607896258 /nfs/dbraw/zinc/89/62/58/607896258.db2.gz OACAUKQXGSXRPV-UHFFFAOYSA-N -1 1 298.306 1.588 20 0 CDADMM Clc1nsc(N2C[C@@H]3CCC[C@@H]32)c1-c1nnn[n-]1 ZINC000826353694 608186469 /nfs/dbraw/zinc/18/64/69/608186469.db2.gz AILHIALFGFHCHL-WDSKDSINSA-N -1 1 282.760 1.965 20 0 CDADMM Clc1nsc(N2C[C@@H]3CCC[C@@H]32)c1-c1nn[n-]n1 ZINC000826353694 608186470 /nfs/dbraw/zinc/18/64/70/608186470.db2.gz AILHIALFGFHCHL-WDSKDSINSA-N -1 1 282.760 1.965 20 0 CDADMM C[C@H](c1cccnc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824769817 608406861 /nfs/dbraw/zinc/40/68/61/608406861.db2.gz BIGREUQQODLRCK-SECBINFHSA-N -1 1 282.311 1.249 20 0 CDADMM C[C@H](c1cccnc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824769817 608406863 /nfs/dbraw/zinc/40/68/63/608406863.db2.gz BIGREUQQODLRCK-SECBINFHSA-N -1 1 282.311 1.249 20 0 CDADMM CCN(Cc1ccoc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825439691 608409948 /nfs/dbraw/zinc/40/99/48/608409948.db2.gz KUPNCKNIDMOGCS-UHFFFAOYSA-N -1 1 271.284 1.276 20 0 CDADMM CCN(Cc1ccoc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825439691 608409949 /nfs/dbraw/zinc/40/99/49/608409949.db2.gz KUPNCKNIDMOGCS-UHFFFAOYSA-N -1 1 271.284 1.276 20 0 CDADMM Cc1cc(C)cc(CCNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826264070 608423569 /nfs/dbraw/zinc/42/35/69/608423569.db2.gz AVJSAVARESHMGS-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1cc(C)cc(CCNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826264070 608423571 /nfs/dbraw/zinc/42/35/71/608423571.db2.gz AVJSAVARESHMGS-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM CC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCOCC1 ZINC000825148055 608427975 /nfs/dbraw/zinc/42/79/75/608427975.db2.gz NMTVNGYMFRRQCO-JTQLQIEISA-N -1 1 289.343 1.274 20 0 CDADMM CC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCOCC1 ZINC000825148055 608427977 /nfs/dbraw/zinc/42/79/77/608427977.db2.gz NMTVNGYMFRRQCO-JTQLQIEISA-N -1 1 289.343 1.274 20 0 CDADMM Cc1ccc(-c2nnn[n-]2)nc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000826279750 608541314 /nfs/dbraw/zinc/54/13/14/608541314.db2.gz AQCQSITWWVRHEN-AOOOYVTPSA-N -1 1 274.328 1.184 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000826279750 608541315 /nfs/dbraw/zinc/54/13/15/608541315.db2.gz AQCQSITWWVRHEN-AOOOYVTPSA-N -1 1 274.328 1.184 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC[C@H](C)C1 ZINC000826280960 608541670 /nfs/dbraw/zinc/54/16/70/608541670.db2.gz XSYCYRSOOHSHAE-VIFPVBQESA-N -1 1 258.329 1.806 20 0 CDADMM Cc1cc(CN(C)Cc2ccc(-c3nnn[n-]3)o2)no1 ZINC000826266121 608562358 /nfs/dbraw/zinc/56/23/58/608562358.db2.gz CLDPWWZFRVKNPU-UHFFFAOYSA-N -1 1 274.284 1.388 20 0 CDADMM Cc1cc(CN(C)Cc2ccc(-c3nn[n-]n3)o2)no1 ZINC000826266121 608562360 /nfs/dbraw/zinc/56/23/60/608562360.db2.gz CLDPWWZFRVKNPU-UHFFFAOYSA-N -1 1 274.284 1.388 20 0 CDADMM C[C@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000824901234 608801728 /nfs/dbraw/zinc/80/17/28/608801728.db2.gz YCVKSQPNLJDDKR-IUCAKERBSA-N -1 1 260.301 1.241 20 0 CDADMM C[C@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000824901234 608801733 /nfs/dbraw/zinc/80/17/33/608801733.db2.gz YCVKSQPNLJDDKR-IUCAKERBSA-N -1 1 260.301 1.241 20 0 CDADMM Cc1cc(C)c(C(=O)Cn2ccnc2-c2nnn[n-]2)c(C)c1 ZINC000826263335 608890310 /nfs/dbraw/zinc/89/03/10/608890310.db2.gz WHLWQUQDYOTJNM-UHFFFAOYSA-N -1 1 296.334 1.871 20 0 CDADMM Cc1cc(C)c(C(=O)Cn2ccnc2-c2nn[n-]n2)c(C)c1 ZINC000826263335 608890311 /nfs/dbraw/zinc/89/03/11/608890311.db2.gz WHLWQUQDYOTJNM-UHFFFAOYSA-N -1 1 296.334 1.871 20 0 CDADMM CC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC000946377879 613753509 /nfs/dbraw/zinc/75/35/09/613753509.db2.gz AKSWJOYHUZBITI-RYUDHWBXSA-N -1 1 291.351 1.212 20 0 CDADMM CC(C)C(=O)N1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000950060264 614359997 /nfs/dbraw/zinc/35/99/97/614359997.db2.gz AJDRPBWCRRXTBW-LLVKDONJSA-N -1 1 291.351 1.164 20 0 CDADMM CCC(=O)N1CCC(CNC(=O)c2ncccc2[O-])CC1 ZINC000948585869 614515870 /nfs/dbraw/zinc/51/58/70/614515870.db2.gz XIESSHXWLUBEMS-UHFFFAOYSA-N -1 1 291.351 1.166 20 0 CDADMM COCc1nc(NCCCc2c[nH]nc2C)cc(=O)[n-]1 ZINC000891681226 617536243 /nfs/dbraw/zinc/53/62/43/617536243.db2.gz RVJFIDQJBGYZNA-UHFFFAOYSA-N -1 1 277.328 1.405 20 0 CDADMM O=C(NN1CCCC1=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000780701023 617772516 /nfs/dbraw/zinc/77/25/16/617772516.db2.gz ZSUVUYRMJJJCIL-UHFFFAOYSA-N -1 1 288.225 1.678 20 0 CDADMM COC(=O)c1ccc(C(=O)O[C@H](C)Cc2cnccn2)[n-]1 ZINC000893399573 617815281 /nfs/dbraw/zinc/81/52/81/617815281.db2.gz DZJXACGIRIQJQR-SECBINFHSA-N -1 1 289.291 1.379 20 0 CDADMM COCc1nc(N(C)[C@H](C)C2(C)CC2)cc(=O)[n-]1 ZINC000892873825 617850316 /nfs/dbraw/zinc/85/03/16/617850316.db2.gz YPHARQCEXYPEJQ-SECBINFHSA-N -1 1 251.330 1.953 20 0 CDADMM CC(C)n1cnc([N-]C(=O)c2cnc(C3CC3)o2)n1 ZINC000892365621 618038887 /nfs/dbraw/zinc/03/88/87/618038887.db2.gz ZFLJYCBUWVSCAA-UHFFFAOYSA-N -1 1 261.285 1.977 20 0 CDADMM O=S(=O)([N-]C1CC=CC1)c1nc[nH]c1Br ZINC000866959087 620773986 /nfs/dbraw/zinc/77/39/86/620773986.db2.gz ZZQOLUDKVOWDCU-UHFFFAOYSA-N -1 1 292.158 1.169 20 0 CDADMM Cn1ncnc1C[N-]c1nnc([C@@H]2Cc3ccccc3O2)o1 ZINC000902043974 618512036 /nfs/dbraw/zinc/51/20/36/618512036.db2.gz NREMLBNJXWGAGN-NSHDSACASA-N -1 1 298.306 1.486 20 0 CDADMM OCCCc1cccc(Nc2nccnc2-c2nnn[n-]2)c1 ZINC000826509718 618593581 /nfs/dbraw/zinc/59/35/81/618593581.db2.gz GRYREOIEWRMBQJ-UHFFFAOYSA-N -1 1 297.322 1.325 20 0 CDADMM OCCCc1cccc(Nc2nccnc2-c2nn[n-]n2)c1 ZINC000826509718 618593586 /nfs/dbraw/zinc/59/35/86/618593586.db2.gz GRYREOIEWRMBQJ-UHFFFAOYSA-N -1 1 297.322 1.325 20 0 CDADMM C[C@@H]1CCN(CC(=O)NCCC(=O)[O-])[C@@H](c2ccco2)C1 ZINC000828285575 618617903 /nfs/dbraw/zinc/61/79/03/618617903.db2.gz NGQZTCDLGZRFTF-VXGBXAGGSA-N -1 1 294.351 1.644 20 0 CDADMM CN1CCC[C@H]1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000909457675 619332442 /nfs/dbraw/zinc/33/24/42/619332442.db2.gz JDGGKLWLEOQWFL-LBPRGKRZSA-N -1 1 282.384 1.622 20 0 CDADMM CN(C)C1(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)CC1 ZINC000909495126 619405042 /nfs/dbraw/zinc/40/50/42/619405042.db2.gz NMQJKXWYJSCUQB-LLVKDONJSA-N -1 1 282.384 1.430 20 0 CDADMM CCOC(=O)[C@@H]1CCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000896263800 620040718 /nfs/dbraw/zinc/04/07/18/620040718.db2.gz BUMOBMYLRUWJDO-SSDOTTSWSA-N -1 1 271.704 1.225 20 0 CDADMM C[C@@H]1COC[C@@H]1NC(=O)c1ncc2ccccc2c1[O-] ZINC000928908023 620613841 /nfs/dbraw/zinc/61/38/41/620613841.db2.gz AMTGYVLKTJACDG-SKDRFNHKSA-N -1 1 272.304 1.705 20 0 CDADMM CCN(C(=O)N[C@H]1CCCc2cn[nH]c21)C(C)(C)C(=O)[O-] ZINC000929009001 620851397 /nfs/dbraw/zinc/85/13/97/620851397.db2.gz BYZRSFBVHSHWJI-JTQLQIEISA-N -1 1 294.355 1.682 20 0 CDADMM C[C@@H]1CCC[C@@H]1CC(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898757898 621861923 /nfs/dbraw/zinc/86/19/23/621861923.db2.gz UKRPWSXCWOCHBT-RKDXNWHRSA-N -1 1 265.313 1.330 20 0 CDADMM CCCCCCC(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898749280 621863310 /nfs/dbraw/zinc/86/33/10/621863310.db2.gz AJHASVBXXNRRBQ-UHFFFAOYSA-N -1 1 253.302 1.474 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)NCc2nc([O-])cc(=O)[nH]2)C[C@H]1C ZINC000898753520 621864709 /nfs/dbraw/zinc/86/47/09/621864709.db2.gz AQCDYIYKAFWLTC-BBBLOLIVSA-N -1 1 279.340 1.576 20 0 CDADMM CN1CCCC[C@H]1C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000902862699 625551310 /nfs/dbraw/zinc/55/13/10/625551310.db2.gz NJXSAIKSZLQYNI-STQMWFEESA-N -1 1 294.326 1.552 20 0 CDADMM CCc1nc(S(=O)(=O)Cc2cc(C)cc(C)n2)n[n-]1 ZINC000899481747 622278365 /nfs/dbraw/zinc/27/83/65/622278365.db2.gz YRSDDROFNBOADB-UHFFFAOYSA-N -1 1 280.353 1.353 20 0 CDADMM CC(C)N1CCC[C@@H]1C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000899534622 622298652 /nfs/dbraw/zinc/29/86/52/622298652.db2.gz GBDSEKLLQIVQPF-CQSZACIVSA-N -1 1 290.363 1.977 20 0 CDADMM Cc1cc(CN[C@H]2CCCn3nc(C(=O)[O-])cc32)sn1 ZINC000900073106 622675962 /nfs/dbraw/zinc/67/59/62/622675962.db2.gz FEXRJWHXTXMTEQ-JTQLQIEISA-N -1 1 292.364 1.971 20 0 CDADMM CN(CCn1cccn1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900660410 623341304 /nfs/dbraw/zinc/34/13/04/623341304.db2.gz UYLZAYYUAPGIEJ-UHFFFAOYSA-N -1 1 287.323 1.028 20 0 CDADMM CO[C@@H](CNC(=O)c1cnc(C2CC2)[n-]c1=O)C(C)C ZINC000900909875 623643578 /nfs/dbraw/zinc/64/35/78/623643578.db2.gz DQCJOLWFLUSGLX-NSHDSACASA-N -1 1 279.340 1.460 20 0 CDADMM Cc1nc([C@@H]2CCCN(c3ncccc3C(=O)[O-])C2)n[nH]1 ZINC000900990455 623807608 /nfs/dbraw/zinc/80/76/08/623807608.db2.gz NVDQIIUGQLRKND-SNVBAGLBSA-N -1 1 287.323 1.590 20 0 CDADMM Cc1nnc([C@@H]2CCCN(c3ncccc3C(=O)[O-])C2)[nH]1 ZINC000900990455 623807613 /nfs/dbraw/zinc/80/76/13/623807613.db2.gz NVDQIIUGQLRKND-SNVBAGLBSA-N -1 1 287.323 1.590 20 0 CDADMM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000901474735 624262714 /nfs/dbraw/zinc/26/27/14/624262714.db2.gz CEUVGPNAYPEZCW-JFGNBEQYSA-N -1 1 293.367 1.787 20 0 CDADMM CC(C)C[C@@H](NC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C)C(=O)[O-] ZINC000901458885 624277189 /nfs/dbraw/zinc/27/71/89/624277189.db2.gz BUOTUXUJIPADGS-ZWKOPEQDSA-N -1 1 293.367 1.691 20 0 CDADMM CN1CCCC[C@H]1C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000901465715 624282324 /nfs/dbraw/zinc/28/23/24/624282324.db2.gz YDIILWMGHRRWRM-QWHCGFSZSA-N -1 1 276.336 1.413 20 0 CDADMM O=C([O-])[C@@H]1CCCCN1C(=O)c1cc2[nH]cnc2cc1F ZINC000901498775 624301455 /nfs/dbraw/zinc/30/14/55/624301455.db2.gz AABUVFRPCUPBRY-LBPRGKRZSA-N -1 1 291.282 1.781 20 0 CDADMM CO[C@@]1(C(=O)[O-])CCN(Cc2ccc(SC)o2)C1 ZINC000901542708 624327887 /nfs/dbraw/zinc/32/78/87/624327887.db2.gz RUMINYGMCCQWES-LBPRGKRZSA-N -1 1 271.338 1.677 20 0 CDADMM CO[C@]1(C(=O)[O-])CCN(Cc2ccnn2CC(C)C)C1 ZINC000901544186 624341818 /nfs/dbraw/zinc/34/18/18/624341818.db2.gz UIYDUJRJYFACSU-CQSZACIVSA-N -1 1 281.356 1.215 20 0 CDADMM COc1cc(F)cc(OC)c1CN(C)CC(=O)[O-] ZINC000901575084 624357873 /nfs/dbraw/zinc/35/78/73/624357873.db2.gz LKPHRHQTYJNVPD-UHFFFAOYSA-N -1 1 257.261 1.359 20 0 CDADMM Cc1cc(Cl)ccc1CN[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000901740830 624430897 /nfs/dbraw/zinc/43/08/97/624430897.db2.gz FLTVELFHUVFFJT-UWVGGRQHSA-N -1 1 298.770 1.716 20 0 CDADMM Cc1ccc(OCCNCc2cc(C(=O)[O-])no2)cc1 ZINC000902127638 624461432 /nfs/dbraw/zinc/46/14/32/624461432.db2.gz UEVNTTOVPFZPKZ-UHFFFAOYSA-N -1 1 276.292 1.850 20 0 CDADMM C[C@@H]1CCN(Cc2ccc(/C=C\C(=O)[O-])o2)CCO1 ZINC000902570699 624986317 /nfs/dbraw/zinc/98/63/17/624986317.db2.gz PVXMGXVKTHZQKG-DOGVGXBMSA-N -1 1 265.309 1.988 20 0 CDADMM O=C([O-])c1ccc2c(c1)CN(CCO[C@H]1CCOC1)CC2 ZINC000903902347 626139240 /nfs/dbraw/zinc/13/92/40/626139240.db2.gz YRLFNHKAEBFIJD-HNNXBMFYSA-N -1 1 291.347 1.548 20 0 CDADMM CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC000903936020 626153734 /nfs/dbraw/zinc/15/37/34/626153734.db2.gz CZYBNUFQFCVUQH-YPMHNXCESA-N -1 1 289.397 1.139 20 0 CDADMM CC(C)S(=O)(=O)CCCN1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC000903936020 626153736 /nfs/dbraw/zinc/15/37/36/626153736.db2.gz CZYBNUFQFCVUQH-YPMHNXCESA-N -1 1 289.397 1.139 20 0 CDADMM CCn1nc(C)c(CN2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]2C)n1 ZINC000903953555 626166052 /nfs/dbraw/zinc/16/60/52/626166052.db2.gz SUNMLUHTLFFWTF-UZWIWUQPSA-N -1 1 294.399 1.926 20 0 CDADMM O=C([O-])c1ccc(O)c(S(=O)(=O)N(C2CC2)C2CC2)c1 ZINC000907062517 627514916 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CCn1cc([C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)cn1 ZINC001604605237 1163244268 /nfs/dbraw/zinc/24/42/68/1163244268.db2.gz TYQSDVAGGZOGSV-SECBINFHSA-N -1 1 284.327 1.651 20 0 CDADMM CCn1cc([C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)cn1 ZINC001604605237 1163244274 /nfs/dbraw/zinc/24/42/74/1163244274.db2.gz TYQSDVAGGZOGSV-SECBINFHSA-N -1 1 284.327 1.651 20 0 CDADMM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@@H]2N1C/C=C/Cl ZINC001604712132 1163292348 /nfs/dbraw/zinc/29/23/48/1163292348.db2.gz QSQKISCUJWBRMC-TZCWIXRUSA-N -1 1 259.733 1.834 20 0 CDADMM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@@H]2N1Cc1cncc(F)c1 ZINC001604713510 1163293267 /nfs/dbraw/zinc/29/32/67/1163293267.db2.gz KKDCILPGGAXJTQ-IGJVIKARSA-N -1 1 294.326 1.816 20 0 CDADMM C[C@H]1CN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)CCN1C ZINC001604770491 1163317643 /nfs/dbraw/zinc/31/76/43/1163317643.db2.gz GRIHIKRVYCSZFE-RWCYGVJQSA-N -1 1 278.308 1.154 20 0 CDADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCc2ccccc21 ZINC001604831544 1163344581 /nfs/dbraw/zinc/34/45/81/1163344581.db2.gz NBJQOLVLDJLOQU-LBPRGKRZSA-N -1 1 293.334 1.780 20 0 CDADMM COC(=O)C(C)(C)CCNc1cccc(-c2nnn[n-]2)n1 ZINC001604901209 1163373912 /nfs/dbraw/zinc/37/39/12/1163373912.db2.gz UUIGSTFHHAXYSW-UHFFFAOYSA-N -1 1 290.327 1.263 20 0 CDADMM COC(=O)C(C)(C)CCNc1cccc(-c2nn[n-]n2)n1 ZINC001604901209 1163373916 /nfs/dbraw/zinc/37/39/16/1163373916.db2.gz UUIGSTFHHAXYSW-UHFFFAOYSA-N -1 1 290.327 1.263 20 0 CDADMM CC[C@H](C)c1nc([C@H](C)Nc2nccc(C(=O)[O-])n2)n[nH]1 ZINC001604974994 1163403255 /nfs/dbraw/zinc/40/32/55/1163403255.db2.gz AHCIDVMBQAJQLU-YUMQZZPRSA-N -1 1 290.327 1.980 20 0 CDADMM CO[C@H]1CCC[C@H]1CNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001605029327 1163422645 /nfs/dbraw/zinc/42/26/45/1163422645.db2.gz CGACOMWBMMBSIX-ONGXEEELSA-N -1 1 289.343 1.192 20 0 CDADMM CO[C@H]1CCC[C@H]1CNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001605029327 1163422649 /nfs/dbraw/zinc/42/26/49/1163422649.db2.gz CGACOMWBMMBSIX-ONGXEEELSA-N -1 1 289.343 1.192 20 0 CDADMM COC[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001605071466 1163442282 /nfs/dbraw/zinc/44/22/82/1163442282.db2.gz FCTPDEQLMDQKHD-SNVBAGLBSA-N -1 1 274.328 1.125 20 0 CDADMM COC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001605071466 1163442283 /nfs/dbraw/zinc/44/22/83/1163442283.db2.gz FCTPDEQLMDQKHD-SNVBAGLBSA-N -1 1 274.328 1.125 20 0 CDADMM CO[C@H]1C[C@H](CNc2cccc(-c3nnn[n-]3)n2)C1 ZINC001605153819 1163470664 /nfs/dbraw/zinc/47/06/64/1163470664.db2.gz OVDYXLUYLSOTJF-KYZUINATSA-N -1 1 260.301 1.099 20 0 CDADMM CO[C@H]1C[C@H](CNc2cccc(-c3nn[n-]n3)n2)C1 ZINC001605153819 1163470670 /nfs/dbraw/zinc/47/06/70/1163470670.db2.gz OVDYXLUYLSOTJF-KYZUINATSA-N -1 1 260.301 1.099 20 0 CDADMM COc1cc(Cn2c(C)c(C)nc2-c2nnn[n-]2)sn1 ZINC001605223267 1163493486 /nfs/dbraw/zinc/49/34/86/1163493486.db2.gz WZFQTGJLPFZMSL-UHFFFAOYSA-N -1 1 291.340 1.193 20 0 CDADMM COc1cc(Cn2c(C)c(C)nc2-c2nn[n-]n2)sn1 ZINC001605223267 1163493490 /nfs/dbraw/zinc/49/34/90/1163493490.db2.gz WZFQTGJLPFZMSL-UHFFFAOYSA-N -1 1 291.340 1.193 20 0 CDADMM COc1ccc(C)cc1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001605264511 1163507370 /nfs/dbraw/zinc/50/73/70/1163507370.db2.gz NJKHYORCTGZDAC-UHFFFAOYSA-N -1 1 285.311 1.519 20 0 CDADMM COc1ccc(C)cc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001605264511 1163507378 /nfs/dbraw/zinc/50/73/78/1163507378.db2.gz NJKHYORCTGZDAC-UHFFFAOYSA-N -1 1 285.311 1.519 20 0 CDADMM COc1ccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001605290951 1163515485 /nfs/dbraw/zinc/51/54/85/1163515485.db2.gz BZXPZHVUJYGSQR-UHFFFAOYSA-N -1 1 299.290 1.745 20 0 CDADMM CSCC[C@@H](C)N(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001605376434 1163539525 /nfs/dbraw/zinc/53/95/25/1163539525.db2.gz KVZKTXSWJARVIM-SECBINFHSA-N -1 1 293.400 1.543 20 0 CDADMM CSCC[C@@H](C)N(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001605376434 1163539533 /nfs/dbraw/zinc/53/95/33/1163539533.db2.gz KVZKTXSWJARVIM-SECBINFHSA-N -1 1 293.400 1.543 20 0 CDADMM C[C@@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)CCS1 ZINC001605416273 1163559126 /nfs/dbraw/zinc/55/91/26/1163559126.db2.gz ZUACPFGYOGESRO-SSDOTTSWSA-N -1 1 279.325 1.037 20 0 CDADMM C[C@@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)CCS1 ZINC001605416273 1163559128 /nfs/dbraw/zinc/55/91/28/1163559128.db2.gz ZUACPFGYOGESRO-SSDOTTSWSA-N -1 1 279.325 1.037 20 0 CDADMM CCNCc1cn([C@H](Cc2ccccc2)C(=O)[O-])nn1 ZINC001605498753 1163586847 /nfs/dbraw/zinc/58/68/47/1163586847.db2.gz DTAYFRSLDCMPFC-CYBMUJFWSA-N -1 1 274.324 1.256 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCS[C@@H](C)CC2)c1 ZINC001605563617 1163611477 /nfs/dbraw/zinc/61/14/77/1163611477.db2.gz BVTKAVZPLOSBLT-JTQLQIEISA-N -1 1 290.396 1.902 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCS[C@@H](C)CC2)c1 ZINC001605563617 1163611481 /nfs/dbraw/zinc/61/14/81/1163611481.db2.gz BVTKAVZPLOSBLT-JTQLQIEISA-N -1 1 290.396 1.902 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@H](CCF)C2)c1 ZINC001605563021 1163611660 /nfs/dbraw/zinc/61/16/60/1163611660.db2.gz PFOYTJDSSKSZJU-SNVBAGLBSA-N -1 1 292.318 1.135 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@H](CCF)C2)c1 ZINC001605563021 1163611663 /nfs/dbraw/zinc/61/16/63/1163611663.db2.gz PFOYTJDSSKSZJU-SNVBAGLBSA-N -1 1 292.318 1.135 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)c2ccns2)n1 ZINC001605568145 1163612998 /nfs/dbraw/zinc/61/29/98/1163612998.db2.gz HGJLMKUTIGVPOO-SSDOTTSWSA-N -1 1 288.340 1.595 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)c2ccns2)n1 ZINC001605568145 1163613002 /nfs/dbraw/zinc/61/30/02/1163613002.db2.gz HGJLMKUTIGVPOO-SSDOTTSWSA-N -1 1 288.340 1.595 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC2(CCC2)C1 ZINC001605802992 1163676707 /nfs/dbraw/zinc/67/67/07/1163676707.db2.gz SOZHLSPCKAMVBX-UHFFFAOYSA-N -1 1 270.340 1.951 20 0 CDADMM Cc1ccc(CN(C)C(=O)c2coc(-c3nnn[n-]3)c2)o1 ZINC001605842876 1163685708 /nfs/dbraw/zinc/68/57/08/1163685708.db2.gz ASZABEGXNQXRAY-UHFFFAOYSA-N -1 1 287.279 1.633 20 0 CDADMM Cc1ccc(CN(C)C(=O)c2coc(-c3nn[n-]n3)c2)o1 ZINC001605842876 1163685713 /nfs/dbraw/zinc/68/57/13/1163685713.db2.gz ASZABEGXNQXRAY-UHFFFAOYSA-N -1 1 287.279 1.633 20 0 CDADMM CCc1oc(C(=O)[O-])cc1C[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC001605883002 1163706609 /nfs/dbraw/zinc/70/66/09/1163706609.db2.gz CTPSRKHVDBASKG-BETUJISGSA-N -1 1 283.324 1.386 20 0 CDADMM CCc1oc(C(=O)[O-])cc1CN1C[C@@H](OC)[C@@H](OC)C1 ZINC001605883002 1163706616 /nfs/dbraw/zinc/70/66/16/1163706616.db2.gz CTPSRKHVDBASKG-BETUJISGSA-N -1 1 283.324 1.386 20 0 CDADMM Cc1cccc(OC(=O)c2ccnc(-c3nnn[n-]3)c2)c1F ZINC001605921152 1163714534 /nfs/dbraw/zinc/71/45/34/1163714534.db2.gz DGAPWTGBXVVZAZ-UHFFFAOYSA-N -1 1 299.265 1.928 20 0 CDADMM Cc1cccc(OC(=O)c2ccnc(-c3nn[n-]n3)c2)c1F ZINC001605921152 1163714535 /nfs/dbraw/zinc/71/45/35/1163714535.db2.gz DGAPWTGBXVVZAZ-UHFFFAOYSA-N -1 1 299.265 1.928 20 0 CDADMM Cc1ccn(C)c1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001605948811 1163723353 /nfs/dbraw/zinc/72/33/53/1163723353.db2.gz UVMRKWMBVDYQAP-UHFFFAOYSA-N -1 1 298.306 1.472 20 0 CDADMM Cc1nc(N[C@@H]2C[C@H]2c2ccco2)cc(-c2nnn[n-]2)n1 ZINC001606078153 1163765244 /nfs/dbraw/zinc/76/52/44/1163765244.db2.gz PZIQNIZBVKFADS-RKDXNWHRSA-N -1 1 283.295 1.526 20 0 CDADMM Cc1nc(N[C@@H]2C[C@H]2c2ccco2)cc(-c2nn[n-]n2)n1 ZINC001606078153 1163765250 /nfs/dbraw/zinc/76/52/50/1163765250.db2.gz PZIQNIZBVKFADS-RKDXNWHRSA-N -1 1 283.295 1.526 20 0 CDADMM Cc1nsc(N(C)C(=O)C2=CCC2)c1-c1nnn[n-]1 ZINC001606139465 1163784622 /nfs/dbraw/zinc/78/46/22/1163784622.db2.gz MCDFIHARKSDUPV-UHFFFAOYSA-N -1 1 276.325 1.315 20 0 CDADMM Cc1nsc(N(C)C(=O)C2=CCC2)c1-c1nn[n-]n1 ZINC001606139465 1163784632 /nfs/dbraw/zinc/78/46/32/1163784632.db2.gz MCDFIHARKSDUPV-UHFFFAOYSA-N -1 1 276.325 1.315 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC1CC2(CCC2)C1 ZINC001606167290 1163793197 /nfs/dbraw/zinc/79/31/97/1163793197.db2.gz KTWMWDIWUFEXCE-UHFFFAOYSA-N -1 1 287.323 1.831 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC1CC2(CCC2)C1 ZINC001606167290 1163793205 /nfs/dbraw/zinc/79/32/05/1163793205.db2.gz KTWMWDIWUFEXCE-UHFFFAOYSA-N -1 1 287.323 1.831 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)c1ccccn1 ZINC001606164674 1163793747 /nfs/dbraw/zinc/79/37/47/1163793747.db2.gz BIHAVNJNHVWMLY-UHFFFAOYSA-N -1 1 284.279 1.440 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)c1ccccn1 ZINC001606164674 1163793752 /nfs/dbraw/zinc/79/37/52/1163793752.db2.gz BIHAVNJNHVWMLY-UHFFFAOYSA-N -1 1 284.279 1.440 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC1CC(C)C1 ZINC001606168968 1163797327 /nfs/dbraw/zinc/79/73/27/1163797327.db2.gz CIXOAWWXCSZJNO-UHFFFAOYSA-N -1 1 262.269 1.723 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC1CC(C)C1 ZINC001606168968 1163797334 /nfs/dbraw/zinc/79/73/34/1163797334.db2.gz CIXOAWWXCSZJNO-UHFFFAOYSA-N -1 1 262.269 1.723 20 0 CDADMM CN(Cc1nnc[nH]1)Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001606179101 1163799899 /nfs/dbraw/zinc/79/98/99/1163799899.db2.gz DQDDVHFPTQYWAL-UHFFFAOYSA-N -1 1 286.295 1.011 20 0 CDADMM ClC(Cl)=CCNc1cncc(-c2nnn[n-]2)n1 ZINC001606184578 1163801143 /nfs/dbraw/zinc/80/11/43/1163801143.db2.gz IZWKPFDWJNIHMS-UHFFFAOYSA-N -1 1 272.099 1.388 20 0 CDADMM ClC(Cl)=CCNc1cncc(-c2nn[n-]n2)n1 ZINC001606184578 1163801145 /nfs/dbraw/zinc/80/11/45/1163801145.db2.gz IZWKPFDWJNIHMS-UHFFFAOYSA-N -1 1 272.099 1.388 20 0 CDADMM Cn1cc(CSCc2ccc(-c3nnn[n-]3)o2)nn1 ZINC001606241945 1163823689 /nfs/dbraw/zinc/82/36/89/1163823689.db2.gz BNNNXYPQVIUOSR-UHFFFAOYSA-N -1 1 277.313 1.022 20 0 CDADMM Cn1cc(CSCc2ccc(-c3nn[n-]n3)o2)nn1 ZINC001606241945 1163823699 /nfs/dbraw/zinc/82/36/99/1163823699.db2.gz BNNNXYPQVIUOSR-UHFFFAOYSA-N -1 1 277.313 1.022 20 0 CDADMM CNC(=O)CN(Cc1ccccc1)CC1(CC(=O)[O-])CC1 ZINC001606270592 1163834006 /nfs/dbraw/zinc/83/40/06/1163834006.db2.gz IHGKJXWUZQKRFZ-UHFFFAOYSA-N -1 1 290.363 1.490 20 0 CDADMM Fc1cccc([C@@H]2C[C@H]2Nc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001606333381 1163865103 /nfs/dbraw/zinc/86/51/03/1163865103.db2.gz VDFWRMJMRSSCQU-QWHCGFSZSA-N -1 1 296.309 1.791 20 0 CDADMM Fc1cccc([C@@H]2C[C@H]2Nc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001606333381 1163865112 /nfs/dbraw/zinc/86/51/12/1163865112.db2.gz VDFWRMJMRSSCQU-QWHCGFSZSA-N -1 1 296.309 1.791 20 0 CDADMM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1CCCCCF ZINC001606373279 1163880133 /nfs/dbraw/zinc/88/01/33/1163880133.db2.gz JYMFRHNLBDNIKI-GHMZBOCLSA-N -1 1 275.320 1.464 20 0 CDADMM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1CCCSC ZINC001606375305 1163880359 /nfs/dbraw/zinc/88/03/59/1163880359.db2.gz RSHKPSVVAIRJPK-VHSXEESVSA-N -1 1 275.370 1.078 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(CF)cc1 ZINC001606892992 1164025678 /nfs/dbraw/zinc/02/56/78/1164025678.db2.gz DFPCIXCNWRDQKJ-UHFFFAOYSA-N -1 1 287.258 1.312 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(CF)cc1 ZINC001606892992 1164025684 /nfs/dbraw/zinc/02/56/84/1164025684.db2.gz DFPCIXCNWRDQKJ-UHFFFAOYSA-N -1 1 287.258 1.312 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CCCOCC1 ZINC001606953534 1164036208 /nfs/dbraw/zinc/03/62/08/1164036208.db2.gz VVWCSFLKVDIINF-SSDOTTSWSA-N -1 1 294.340 1.078 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CCCOCC1 ZINC001606953534 1164036209 /nfs/dbraw/zinc/03/62/09/1164036209.db2.gz VVWCSFLKVDIINF-SSDOTTSWSA-N -1 1 294.340 1.078 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC2CCC1CC2 ZINC001607015710 1164060941 /nfs/dbraw/zinc/06/09/41/1164060941.db2.gz FFFWRDHHGWVIGU-UHFFFAOYSA-N -1 1 284.323 1.276 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC2CCC1CC2 ZINC001607015710 1164060947 /nfs/dbraw/zinc/06/09/47/1164060947.db2.gz FFFWRDHHGWVIGU-UHFFFAOYSA-N -1 1 284.323 1.276 20 0 CDADMM COc1c(NC(=O)N2CC(N(C)C)C2)cccc1C(=O)[O-] ZINC001607029353 1164062892 /nfs/dbraw/zinc/06/28/92/1164062892.db2.gz GBLIVQREBSWYCK-UHFFFAOYSA-N -1 1 293.323 1.171 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1cccc(F)c1 ZINC001607089833 1164075284 /nfs/dbraw/zinc/07/52/84/1164075284.db2.gz CSKRIPSBCCMCFO-UHFFFAOYSA-N -1 1 271.255 1.216 20 0 CDADMM O[C@@]1(C2CC2)CCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001607098632 1164081336 /nfs/dbraw/zinc/08/13/36/1164081336.db2.gz QNZJZJTVUJWSET-AWEZNQCLSA-N -1 1 286.339 1.003 20 0 CDADMM O[C@@]1(C2CC2)CCCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001607098632 1164081342 /nfs/dbraw/zinc/08/13/42/1164081342.db2.gz QNZJZJTVUJWSET-AWEZNQCLSA-N -1 1 286.339 1.003 20 0 CDADMM O[C@@H](CCOc1cnc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001607108341 1164088530 /nfs/dbraw/zinc/08/85/30/1164088530.db2.gz LHCBKNDRVUSUOJ-LBPRGKRZSA-N -1 1 298.306 1.159 20 0 CDADMM OCc1cccc(Sc2cccc(-c3nnn[n-]3)n2)c1 ZINC001607108737 1164091444 /nfs/dbraw/zinc/09/14/44/1164091444.db2.gz TVTBTDUHJPCJFH-UHFFFAOYSA-N -1 1 285.332 1.905 20 0 CDADMM OCc1cccc(Sc2cccc(-c3nn[n-]n3)n2)c1 ZINC001607108737 1164091450 /nfs/dbraw/zinc/09/14/50/1164091450.db2.gz TVTBTDUHJPCJFH-UHFFFAOYSA-N -1 1 285.332 1.905 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCC[C@H]2CCSC2)c1 ZINC001607133184 1164112117 /nfs/dbraw/zinc/11/21/17/1164112117.db2.gz AESCVJBYHVDCJN-VIFPVBQESA-N -1 1 276.369 1.817 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCC[C@H]2CCSC2)c1 ZINC001607133184 1164112119 /nfs/dbraw/zinc/11/21/19/1164112119.db2.gz AESCVJBYHVDCJN-VIFPVBQESA-N -1 1 276.369 1.817 20 0 CDADMM c1cncc(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)c1 ZINC001607135587 1164114519 /nfs/dbraw/zinc/11/45/19/1164114519.db2.gz LSIHWMPOCRDXQM-UHFFFAOYSA-N -1 1 294.322 1.541 20 0 CDADMM c1cncc(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)c1 ZINC001607135587 1164114522 /nfs/dbraw/zinc/11/45/22/1164114522.db2.gz LSIHWMPOCRDXQM-UHFFFAOYSA-N -1 1 294.322 1.541 20 0 CDADMM c1nc(NC[C@@]23C[C@@H]2CCCC3)cc(-c2nnn[n-]2)n1 ZINC001607137383 1164116690 /nfs/dbraw/zinc/11/66/90/1164116690.db2.gz RPPXFOHPASLDGW-TVQRCGJNSA-N -1 1 271.328 1.649 20 0 CDADMM c1nc(NC[C@@]23C[C@@H]2CCCC3)cc(-c2nn[n-]n2)n1 ZINC001607137383 1164116693 /nfs/dbraw/zinc/11/66/93/1164116693.db2.gz RPPXFOHPASLDGW-TVQRCGJNSA-N -1 1 271.328 1.649 20 0 CDADMM COc1ccc(C(=O)[O-])cc1C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC001607215824 1164130957 /nfs/dbraw/zinc/13/09/57/1164130957.db2.gz KLXTVNSTCCGRAM-NSHDSACASA-N -1 1 293.319 1.690 20 0 CDADMM Cc1c(C(=O)[O-])cc(CN(C)[C@@H]2CCOC2)n1C ZINC001607511457 1164214507 /nfs/dbraw/zinc/21/45/07/1164214507.db2.gz RMNFFRZGYOIOMP-SNVBAGLBSA-N -1 1 252.314 1.252 20 0 CDADMM Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)oc1C(=O)[O-] ZINC001607570953 1164227464 /nfs/dbraw/zinc/22/74/64/1164227464.db2.gz OYJIPRJQXXFRDD-AOOOYVTPSA-N -1 1 278.308 1.253 20 0 CDADMM Cc1cc(CNC(=O)CN2CC[C@@H](C)C2)oc1C(=O)[O-] ZINC001607643029 1164253966 /nfs/dbraw/zinc/25/39/66/1164253966.db2.gz FRTFXWMDNHCBQA-SECBINFHSA-N -1 1 280.324 1.244 20 0 CDADMM Cc1oncc1S(=O)(=O)[N-][C@@H]1CCc2cc(C)ncc21 ZINC001187409929 1164363769 /nfs/dbraw/zinc/36/37/69/1164363769.db2.gz PHMAPSHKKWPOII-GFCCVEGCSA-N -1 1 293.348 1.652 20 0 CDADMM O=C([O-])[C@@H](NCC(=O)Nc1ccccc1)C1CCOCC1 ZINC001608340540 1164492211 /nfs/dbraw/zinc/49/22/11/1164492211.db2.gz NPXORRUGRCFAKK-AWEZNQCLSA-N -1 1 292.335 1.095 20 0 CDADMM O=C([O-])c1cccc(NC(=O)CN2CC[C@@H]3CCC[C@@H]32)n1 ZINC001608335005 1164492674 /nfs/dbraw/zinc/49/26/74/1164492674.db2.gz KKIVOVVKXPMFCS-JQWIXIFHSA-N -1 1 289.335 1.593 20 0 CDADMM O=C([O-])c1nc(C(=O)Nc2ccc3nc[nH]c3c2)cs1 ZINC001608515148 1164529736 /nfs/dbraw/zinc/52/97/36/1164529736.db2.gz AALXXDXMIQBNAB-UHFFFAOYSA-N -1 1 288.288 1.970 20 0 CDADMM O=C([O-])C1=CC[C@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001608585855 1164556791 /nfs/dbraw/zinc/55/67/91/1164556791.db2.gz FWQDTTDLCVRWMA-VIFPVBQESA-N -1 1 271.276 1.466 20 0 CDADMM O=C([O-])CC1CC(N[C@H](CO)c2c(F)cccc2F)C1 ZINC001608692467 1164606258 /nfs/dbraw/zinc/60/62/58/1164606258.db2.gz IRBKLSMUCYOXHH-SHVIVCPWSA-N -1 1 285.290 1.841 20 0 CDADMM O=C([O-])Cn1cc(CN2CCC[C@@H]3CCCC[C@@H]32)nn1 ZINC001608797034 1164640609 /nfs/dbraw/zinc/64/06/09/1164640609.db2.gz JZEZADYGEGCTOR-AAEUAGOBSA-N -1 1 278.356 1.517 20 0 CDADMM CC(=Cc1cnccn1)c1nc(C)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC001609060324 1164755481 /nfs/dbraw/zinc/75/54/81/1164755481.db2.gz ISEQVUJYGNURDS-ALCCZGGFSA-N -1 1 296.294 1.021 20 0 CDADMM CC(C)=CCCNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001609085628 1164763208 /nfs/dbraw/zinc/76/32/08/1164763208.db2.gz JBXDCNZDQJKWFG-UHFFFAOYSA-N -1 1 290.327 1.178 20 0 CDADMM CC(C)=CCCNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001609085628 1164763217 /nfs/dbraw/zinc/76/32/17/1164763217.db2.gz JBXDCNZDQJKWFG-UHFFFAOYSA-N -1 1 290.327 1.178 20 0 CDADMM CC(C)C[C@@H]1C[C@H]1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609097397 1164770875 /nfs/dbraw/zinc/77/08/75/1164770875.db2.gz APNAAGUCDHMHQJ-GHMZBOCLSA-N -1 1 286.339 1.426 20 0 CDADMM CC(C)C[C@@H]1C[C@H]1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609097397 1164770881 /nfs/dbraw/zinc/77/08/81/1164770881.db2.gz APNAAGUCDHMHQJ-GHMZBOCLSA-N -1 1 286.339 1.426 20 0 CDADMM C[C@@H]1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001609162758 1164808517 /nfs/dbraw/zinc/80/85/17/1164808517.db2.gz JBGMFTJDGQJZHD-NXEZZACHSA-N -1 1 273.344 1.895 20 0 CDADMM C[C@@H]1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001609162758 1164808523 /nfs/dbraw/zinc/80/85/23/1164808523.db2.gz JBGMFTJDGQJZHD-NXEZZACHSA-N -1 1 273.344 1.895 20 0 CDADMM C[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001609168827 1164813992 /nfs/dbraw/zinc/81/39/92/1164813992.db2.gz OTTOFMQBUPUBNZ-NXEZZACHSA-N -1 1 258.329 1.744 20 0 CDADMM C[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001609168827 1164813996 /nfs/dbraw/zinc/81/39/96/1164813996.db2.gz OTTOFMQBUPUBNZ-NXEZZACHSA-N -1 1 258.329 1.744 20 0 CDADMM C[C@H]1Oc2ccccc2[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001609178778 1164819402 /nfs/dbraw/zinc/81/94/02/1164819402.db2.gz DPVWIQPHAJJGJZ-AMIZOPFISA-N -1 1 295.306 1.591 20 0 CDADMM C[C@H]1Oc2ccccc2[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001609178778 1164819410 /nfs/dbraw/zinc/81/94/10/1164819410.db2.gz DPVWIQPHAJJGJZ-AMIZOPFISA-N -1 1 295.306 1.591 20 0 CDADMM CCC(CC)CC(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001609188938 1164829847 /nfs/dbraw/zinc/82/98/47/1164829847.db2.gz FLQLYNZQQSDQCK-UHFFFAOYSA-N -1 1 277.332 1.663 20 0 CDADMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccncc1 ZINC001609193093 1164833097 /nfs/dbraw/zinc/83/30/97/1164833097.db2.gz ZKOFFXGMCJDOEV-JTQLQIEISA-N -1 1 298.306 1.736 20 0 CDADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccncc1 ZINC001609193093 1164833106 /nfs/dbraw/zinc/83/31/06/1164833106.db2.gz ZKOFFXGMCJDOEV-JTQLQIEISA-N -1 1 298.306 1.736 20 0 CDADMM CCC1(C(=O)OCc2cccnc2-c2nnn[n-]2)CC1 ZINC001609196516 1164835118 /nfs/dbraw/zinc/83/51/18/1164835118.db2.gz NWKKXDUDDMQZJK-UHFFFAOYSA-N -1 1 273.296 1.495 20 0 CDADMM CCC1(C(=O)OCc2cccnc2-c2nn[n-]n2)CC1 ZINC001609196516 1164835121 /nfs/dbraw/zinc/83/51/21/1164835121.db2.gz NWKKXDUDDMQZJK-UHFFFAOYSA-N -1 1 273.296 1.495 20 0 CDADMM CC[C@@H](O)CCNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001609195353 1164836353 /nfs/dbraw/zinc/83/63/53/1164836353.db2.gz JCGYUNDCUMVEGG-SECBINFHSA-N -1 1 262.317 1.143 20 0 CDADMM CC[C@@H](O)CCNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001609195353 1164836360 /nfs/dbraw/zinc/83/63/60/1164836360.db2.gz JCGYUNDCUMVEGG-SECBINFHSA-N -1 1 262.317 1.143 20 0 CDADMM CCCCCSc1cc(-c2nnn[n-]2)ncn1 ZINC001609209571 1164847587 /nfs/dbraw/zinc/84/75/87/1164847587.db2.gz OTHRBKWXSCHXRE-UHFFFAOYSA-N -1 1 250.331 1.939 20 0 CDADMM CCCCCSc1cc(-c2nn[n-]n2)ncn1 ZINC001609209571 1164847593 /nfs/dbraw/zinc/84/75/93/1164847593.db2.gz OTHRBKWXSCHXRE-UHFFFAOYSA-N -1 1 250.331 1.939 20 0 CDADMM CCn1ccc(CNc2cccc(-c3nnn[n-]3)n2)n1 ZINC001609258387 1164865757 /nfs/dbraw/zinc/86/57/57/1164865757.db2.gz GJICJVBMVJMYKI-UHFFFAOYSA-N -1 1 270.300 1.090 20 0 CDADMM CCn1ccc(CNc2cccc(-c3nn[n-]n3)n2)n1 ZINC001609258387 1164865760 /nfs/dbraw/zinc/86/57/60/1164865760.db2.gz GJICJVBMVJMYKI-UHFFFAOYSA-N -1 1 270.300 1.090 20 0 CDADMM CS[C@@H](C)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609369393 1164910894 /nfs/dbraw/zinc/91/08/94/1164910894.db2.gz YUJHTDRHWANENJ-RQJHMYQMSA-N -1 1 282.325 1.757 20 0 CDADMM CSC(C)(C)CNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001609368916 1164910993 /nfs/dbraw/zinc/91/09/93/1164910993.db2.gz AYTLLXKEWGWHQZ-UHFFFAOYSA-N -1 1 295.368 1.640 20 0 CDADMM CSC(C)(C)CNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609368916 1164910996 /nfs/dbraw/zinc/91/09/96/1164910996.db2.gz AYTLLXKEWGWHQZ-UHFFFAOYSA-N -1 1 295.368 1.640 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2C[C@H](C)O[C@H]2C)n1 ZINC001609392106 1164924809 /nfs/dbraw/zinc/92/48/09/1164924809.db2.gz GZVKDAVRVKCZTL-GUBZILKMSA-N -1 1 289.343 1.191 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2C[C@H](C)O[C@H]2C)n1 ZINC001609392106 1164924813 /nfs/dbraw/zinc/92/48/13/1164924813.db2.gz GZVKDAVRVKCZTL-GUBZILKMSA-N -1 1 289.343 1.191 20 0 CDADMM Cc1ccc(CNc2nc(C)cc(-c3nnn[n-]3)n2)s1 ZINC001609391922 1164927349 /nfs/dbraw/zinc/92/73/49/1164927349.db2.gz AEHYTVVOFYPMBT-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1ccc(CNc2nc(C)cc(-c3nn[n-]n3)n2)s1 ZINC001609391922 1164927351 /nfs/dbraw/zinc/92/73/51/1164927351.db2.gz AEHYTVVOFYPMBT-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1cc(N(CCCCO)C2CC2)cc(-c2nnn[n-]2)n1 ZINC001609404217 1164931321 /nfs/dbraw/zinc/93/13/21/1164931321.db2.gz JRHLEQGBSSCRCW-UHFFFAOYSA-N -1 1 288.355 1.311 20 0 CDADMM Cc1cc(N(CCCCO)C2CC2)cc(-c2nn[n-]n2)n1 ZINC001609404217 1164931326 /nfs/dbraw/zinc/93/13/26/1164931326.db2.gz JRHLEQGBSSCRCW-UHFFFAOYSA-N -1 1 288.355 1.311 20 0 CDADMM Cc1cccc(N(C)C(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001609431653 1164942582 /nfs/dbraw/zinc/94/25/82/1164942582.db2.gz ALWQBUAXEQIIDN-UHFFFAOYSA-N -1 1 294.318 1.847 20 0 CDADMM Cc1cccc(N(C)C(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001609431653 1164942585 /nfs/dbraw/zinc/94/25/85/1164942585.db2.gz ALWQBUAXEQIIDN-UHFFFAOYSA-N -1 1 294.318 1.847 20 0 CDADMM Cc1cccc(CCNc2cc(-c3nnn[n-]3)ncn2)n1 ZINC001609431352 1164944159 /nfs/dbraw/zinc/94/41/59/1164944159.db2.gz BMBJZNBBSWEGMB-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1cccc(CCNc2cc(-c3nn[n-]n3)ncn2)n1 ZINC001609431352 1164944169 /nfs/dbraw/zinc/94/41/69/1164944169.db2.gz BMBJZNBBSWEGMB-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1cncc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001609440967 1164947062 /nfs/dbraw/zinc/94/70/62/1164947062.db2.gz UMPAXSVSVKYNDW-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1cncc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001609440967 1164947068 /nfs/dbraw/zinc/94/70/68/1164947068.db2.gz UMPAXSVSVKYNDW-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM O=C(NCC1(C2CC2)CC1)c1ccc(-c2nnn[n-]2)o1 ZINC001609544181 1164985378 /nfs/dbraw/zinc/98/53/78/1164985378.db2.gz CDZWGRGLVZDYNC-UHFFFAOYSA-N -1 1 273.296 1.380 20 0 CDADMM O=C(NCC1(C2CC2)CC1)c1ccc(-c2nn[n-]n2)o1 ZINC001609544181 1164985384 /nfs/dbraw/zinc/98/53/84/1164985384.db2.gz CDZWGRGLVZDYNC-UHFFFAOYSA-N -1 1 273.296 1.380 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1ccco1 ZINC001609577491 1164995578 /nfs/dbraw/zinc/99/55/78/1164995578.db2.gz NANKDUHCYJBOOT-UHFFFAOYSA-N -1 1 271.236 1.212 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1ccco1 ZINC001609577491 1164995584 /nfs/dbraw/zinc/99/55/84/1164995584.db2.gz NANKDUHCYJBOOT-UHFFFAOYSA-N -1 1 271.236 1.212 20 0 CDADMM c1c[nH]c([C@@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)n1 ZINC001609612614 1165006551 /nfs/dbraw/zinc/00/65/51/1165006551.db2.gz ZFCKSFXASVXPIA-JTQLQIEISA-N -1 1 297.326 1.111 20 0 CDADMM c1c[nH]c([C@@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)n1 ZINC001609612614 1165006553 /nfs/dbraw/zinc/00/65/53/1165006553.db2.gz ZFCKSFXASVXPIA-JTQLQIEISA-N -1 1 297.326 1.111 20 0 CDADMM c1cc2c(c(NCc3ccnc(-c4nnn[n-]4)c3)c1)CCO2 ZINC001609614746 1165009168 /nfs/dbraw/zinc/00/91/68/1165009168.db2.gz KODMDQZYNPGOGN-UHFFFAOYSA-N -1 1 294.318 1.809 20 0 CDADMM c1cc2c(c(NCc3ccnc(-c4nn[n-]n4)c3)c1)CCO2 ZINC001609614746 1165009171 /nfs/dbraw/zinc/00/91/71/1165009171.db2.gz KODMDQZYNPGOGN-UHFFFAOYSA-N -1 1 294.318 1.809 20 0 CDADMM c1ccc([C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC001609616564 1165011531 /nfs/dbraw/zinc/01/15/31/1165011531.db2.gz SRUBEJRHPQKNBR-CYBMUJFWSA-N -1 1 293.334 1.642 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CN1CCOc2ccccc21 ZINC001609618836 1165015660 /nfs/dbraw/zinc/01/56/60/1165015660.db2.gz RDBQUBCPTUPCHE-UHFFFAOYSA-N -1 1 283.291 1.859 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1CN1CCOc2ccccc21 ZINC001609618836 1165015662 /nfs/dbraw/zinc/01/56/62/1165015662.db2.gz RDBQUBCPTUPCHE-UHFFFAOYSA-N -1 1 283.291 1.859 20 0 CDADMM CCc1ccsc1C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001610071712 1165204725 /nfs/dbraw/zinc/20/47/25/1165204725.db2.gz YNJLVFAJHYRGIT-NSHDSACASA-N -1 1 296.392 1.399 20 0 CDADMM Cc1cc(C(=O)[O-])ccc1NC(=O)N1CCN[C@H](C)C1 ZINC001610440910 1165315914 /nfs/dbraw/zinc/31/59/14/1165315914.db2.gz IKLFDEWIAZUYFV-SNVBAGLBSA-N -1 1 277.324 1.519 20 0 CDADMM Cn1cc(CC(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cn1 ZINC001610603810 1165373474 /nfs/dbraw/zinc/37/34/74/1165373474.db2.gz PQTBFCJWRXBYRS-UHFFFAOYSA-N -1 1 299.290 1.176 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)c3ccncn3)[nH]c21 ZINC001610712589 1165411314 /nfs/dbraw/zinc/41/13/14/1165411314.db2.gz HQDLFXUYPSFFBP-UHFFFAOYSA-N -1 1 283.247 1.303 20 0 CDADMM O=C([O-])Cn1cc(CNCCCc2ccccc2F)nn1 ZINC001610800100 1165445807 /nfs/dbraw/zinc/44/58/07/1165445807.db2.gz GZUHIALKJVEFIU-UHFFFAOYSA-N -1 1 292.314 1.224 20 0 CDADMM COc1ccc(F)cc1C(=O)Nc1c[n-][nH]c1=O ZINC001611373810 1165491013 /nfs/dbraw/zinc/49/10/13/1165491013.db2.gz IFBWROUZNGZKLK-UHFFFAOYSA-N -1 1 251.217 1.515 20 0 CDADMM Cn1cc(C(=O)Nc2c[n-][nH]c2=O)c(-c2ccccc2)n1 ZINC001611380797 1165492150 /nfs/dbraw/zinc/49/21/50/1165492150.db2.gz XPXVGMTUTXNDPM-UHFFFAOYSA-N -1 1 283.291 1.768 20 0 CDADMM NC(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000019839242 1165660347 /nfs/dbraw/zinc/66/03/47/1165660347.db2.gz RJIWWXVICGTCSR-MRVPVSSYSA-N -1 1 282.727 1.383 20 0 CDADMM O=C(CCCc1nn[n-]n1)Nc1ccccc1-c1cc[nH]n1 ZINC001627878231 1166020900 /nfs/dbraw/zinc/02/09/00/1166020900.db2.gz YKTSAUVTUWXNDY-UHFFFAOYSA-N -1 1 297.322 1.551 20 0 CDADMM Cc1cnn(Cc2cc(C(=O)[N-]c3conc3C)no2)c1 ZINC001628176638 1166049786 /nfs/dbraw/zinc/04/97/86/1166049786.db2.gz LDWHIGLXPRMGIR-UHFFFAOYSA-N -1 1 287.279 1.777 20 0 CDADMM O=C(NCc1c[nH]c(=O)[nH]1)c1c([O-])cccc1Cl ZINC001628998385 1166107691 /nfs/dbraw/zinc/10/76/91/1166107691.db2.gz LNCKTSWUPPRWLL-UHFFFAOYSA-N -1 1 267.672 1.404 20 0 CDADMM Cc1ccnc(CNC(=O)c2c([O-])cccc2F)n1 ZINC001630320958 1166199804 /nfs/dbraw/zinc/19/98/04/1166199804.db2.gz GPGJZRZCDKNITK-UHFFFAOYSA-N -1 1 261.256 1.560 20 0 CDADMM CN(C(=O)c1cc(-c2cccs2)on1)c1nn[n-]n1 ZINC001630603853 1166216555 /nfs/dbraw/zinc/21/65/55/1166216555.db2.gz NPXRKADJNPJDQF-UHFFFAOYSA-N -1 1 276.281 1.193 20 0 CDADMM COc1ccc2[nH]nc(NC(=O)c3ccc([O-])cn3)c2c1 ZINC001636505559 1166679601 /nfs/dbraw/zinc/67/96/01/1166679601.db2.gz OCKVVAPIJLECDW-UHFFFAOYSA-N -1 1 284.275 1.924 20 0 CDADMM C[C@@H](NC(=O)c1ncc2ccccc2c1[O-])c1ncon1 ZINC001636505936 1166679615 /nfs/dbraw/zinc/67/96/15/1166679615.db2.gz RFVBCDBZYCLLJM-MRVPVSSYSA-N -1 1 284.275 1.814 20 0 CDADMM CC(C)(NC(=O)c1ncc2ccccc2c1[O-])c1cn[nH]n1 ZINC001637761549 1166783595 /nfs/dbraw/zinc/78/35/95/1166783595.db2.gz NMWLNKCSMFAPBH-UHFFFAOYSA-N -1 1 297.318 1.724 20 0 CDADMM O=C(Cc1ncc[nH]1)Nc1cc([O-])c(F)cc1F ZINC001642154585 1167157474 /nfs/dbraw/zinc/15/74/74/1167157474.db2.gz HIDQZUYXLXZIJT-UHFFFAOYSA-N -1 1 253.208 1.575 20 0 CDADMM Cc1c(=O)[nH]c2ccccc2c1C(=O)N(C)c1nn[n-]n1 ZINC001642430782 1167174754 /nfs/dbraw/zinc/17/47/54/1167174754.db2.gz KYNQLGHEYPFJRY-UHFFFAOYSA-N -1 1 284.279 1.039 20 0 CDADMM CCOc1cccc(F)c1CN[C@@H](COC)C(=O)[O-] ZINC001646084193 1167639314 /nfs/dbraw/zinc/63/93/14/1167639314.db2.gz LHEWNERVALSQSN-NSHDSACASA-N -1 1 271.288 1.414 20 0 CDADMM O=c1nc(NCC2CCS(=O)(=O)CC2)cc(Cl)[n-]1 ZINC001647312410 1168550570 /nfs/dbraw/zinc/55/05/70/1168550570.db2.gz AYEVMECJLZWZOQ-UHFFFAOYSA-N -1 1 291.760 1.072 20 0 CDADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@]1(F)CCOC1 ZINC001647323187 1168559912 /nfs/dbraw/zinc/55/99/12/1168559912.db2.gz JTPCYEOFIYSIBZ-AWEZNQCLSA-N -1 1 291.282 1.645 20 0 CDADMM C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1c[nH]c(C(=O)[O-])n1 ZINC001573649697 1170720801 /nfs/dbraw/zinc/72/08/01/1170720801.db2.gz RBQPFJQGZNSTFD-QUBYGPBYSA-N -1 1 289.295 1.136 20 0 CDADMM C[C@@H]1c2ccccc2OCC[N@@H+]1C[C@@H](O)CC(=O)[O-] ZINC001573660207 1170722768 /nfs/dbraw/zinc/72/27/68/1170722768.db2.gz IEQHKCCGBWUNRV-MNOVXSKESA-N -1 1 265.309 1.278 20 0 CDADMM CC(C)(C)N1CC[C@H]1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001573691531 1170729370 /nfs/dbraw/zinc/72/93/70/1170729370.db2.gz LBMFLKIPWJFWJA-ZDUSSCGKSA-N -1 1 290.363 1.874 20 0 CDADMM Cc1nc([C@H](C)Nc2cc(CCC(=O)[O-])nc(C)n2)n[nH]1 ZINC001574188726 1170910790 /nfs/dbraw/zinc/91/07/90/1170910790.db2.gz UVQWVLWFPBANAU-ZETCQYMHSA-N -1 1 290.327 1.402 20 0 CDADMM O=C([O-])[C@@H]1[C@@H]2CC[N@@H+](Cc3ccc([O-])c(F)c3F)C[C@@H]21 ZINC001574400579 1170971205 /nfs/dbraw/zinc/97/12/05/1170971205.db2.gz YTBFLLMHCWJVGM-WCABBAIRSA-N -1 1 283.274 1.823 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1c(C(F)F)nc2ccccn21 ZINC001651044480 1171281612 /nfs/dbraw/zinc/28/16/12/1171281612.db2.gz LGNYACBBPMYJAO-UHFFFAOYSA-N -1 1 293.233 1.953 20 0 CDADMM Cc1c(C(=O)Nc2c[n-][nH]c2=O)nnn1-c1ccccc1 ZINC001654600357 1171622430 /nfs/dbraw/zinc/62/24/30/1171622430.db2.gz ZNLZVGCLXVWLSE-UHFFFAOYSA-N -1 1 284.279 1.257 20 0 CDADMM COc1ccc([N-]S(=O)(=O)c2ccc(O)c(N)c2)cn1 ZINC000020563071 1171986957 /nfs/dbraw/zinc/98/69/57/1171986957.db2.gz SCWMKBZJGQQZLM-UHFFFAOYSA-N -1 1 295.320 1.179 20 0 CDADMM Nc1ccnc(CNC(=O)c2s[n-]c(=O)c2Cl)c1 ZINC001580462112 1172442768 /nfs/dbraw/zinc/44/27/68/1172442768.db2.gz CLBSMXHHIBPBRN-UHFFFAOYSA-N -1 1 284.728 1.409 20 0 CDADMM Cc1[nH]nc(NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)c1C ZINC001581402627 1172607434 /nfs/dbraw/zinc/60/74/34/1172607434.db2.gz BWXRIJAPOOPNSV-UHFFFAOYSA-N -1 1 299.298 1.246 20 0 CDADMM Cc1[nH]nc(NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)c1C ZINC001581402627 1172607442 /nfs/dbraw/zinc/60/74/42/1172607442.db2.gz BWXRIJAPOOPNSV-UHFFFAOYSA-N -1 1 299.298 1.246 20 0 CDADMM OCc1ccc(Sc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001582813859 1172695061 /nfs/dbraw/zinc/69/50/61/1172695061.db2.gz ZVGDNSJEMZQGRA-UHFFFAOYSA-N -1 1 286.320 1.300 20 0 CDADMM OCc1ccc(Sc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001582813859 1172695064 /nfs/dbraw/zinc/69/50/64/1172695064.db2.gz ZVGDNSJEMZQGRA-UHFFFAOYSA-N -1 1 286.320 1.300 20 0 CDADMM c1[nH]nc2cc(Oc3cncc(-c4nnn[n-]4)n3)ccc12 ZINC001582817622 1172696402 /nfs/dbraw/zinc/69/64/02/1172696402.db2.gz PTUBHAPRRNWNMF-UHFFFAOYSA-N -1 1 280.251 1.325 20 0 CDADMM c1[nH]nc2cc(Oc3cncc(-c4nn[n-]n4)n3)ccc12 ZINC001582817622 1172696410 /nfs/dbraw/zinc/69/64/10/1172696410.db2.gz PTUBHAPRRNWNMF-UHFFFAOYSA-N -1 1 280.251 1.325 20 0 CDADMM C=C/C=C\CCn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001588530887 1173078859 /nfs/dbraw/zinc/07/88/59/1173078859.db2.gz WBWBRVBFEULHST-ARJAWSKDSA-N -1 1 283.335 1.649 20 0 CDADMM CC(=O)[C@@H](C)SCc1nc(-c2nnn[n-]2)cs1 ZINC001588787115 1173108334 /nfs/dbraw/zinc/10/83/34/1173108334.db2.gz TWGZKXOSSOSKDE-ZCFIWIBFSA-N -1 1 269.355 1.534 20 0 CDADMM CC(=O)[C@@H](C)SCc1nc(-c2nn[n-]n2)cs1 ZINC001588787115 1173108336 /nfs/dbraw/zinc/10/83/36/1173108336.db2.gz TWGZKXOSSOSKDE-ZCFIWIBFSA-N -1 1 269.355 1.534 20 0 CDADMM CC(C)(C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001589104951 1173124476 /nfs/dbraw/zinc/12/44/76/1173124476.db2.gz KRPYKWVRMWWCGE-UHFFFAOYSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)(C)OC(=O)CSc1cccnc1-c1nnn[n-]1 ZINC001589155448 1173126227 /nfs/dbraw/zinc/12/62/27/1173126227.db2.gz XWCKMRDMFAEAFI-UHFFFAOYSA-N -1 1 293.352 1.696 20 0 CDADMM CC(C)(C)OC(=O)CSc1cccnc1-c1nn[n-]n1 ZINC001589155448 1173126230 /nfs/dbraw/zinc/12/62/30/1173126230.db2.gz XWCKMRDMFAEAFI-UHFFFAOYSA-N -1 1 293.352 1.696 20 0 CDADMM CC(C)(C)COC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589130945 1173126501 /nfs/dbraw/zinc/12/65/01/1173126501.db2.gz RHQTWEVXMSAVHS-UHFFFAOYSA-N -1 1 250.258 1.663 20 0 CDADMM CC(C)(C)COC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589130945 1173126505 /nfs/dbraw/zinc/12/65/05/1173126505.db2.gz RHQTWEVXMSAVHS-UHFFFAOYSA-N -1 1 250.258 1.663 20 0 CDADMM CC(C)(CO)CCCNc1cccnc1-c1nnn[n-]1 ZINC001589294933 1173134162 /nfs/dbraw/zinc/13/41/62/1173134162.db2.gz YXGOYMGXIBQELQ-UHFFFAOYSA-N -1 1 276.344 1.472 20 0 CDADMM CC(C)(CO)CCCNc1cccnc1-c1nn[n-]n1 ZINC001589294933 1173134168 /nfs/dbraw/zinc/13/41/68/1173134168.db2.gz YXGOYMGXIBQELQ-UHFFFAOYSA-N -1 1 276.344 1.472 20 0 CDADMM CC(C)[C@@]1(C)C[C@@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589490223 1173148768 /nfs/dbraw/zinc/14/87/68/1173148768.db2.gz IBQWMIHBRIGRBW-WCQYABFASA-N -1 1 258.329 1.530 20 0 CDADMM CC(C)[C@@]1(C)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589490223 1173148773 /nfs/dbraw/zinc/14/87/73/1173148773.db2.gz IBQWMIHBRIGRBW-WCQYABFASA-N -1 1 258.329 1.530 20 0 CDADMM CC(C)SCCOC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589761352 1173173871 /nfs/dbraw/zinc/17/38/71/1173173871.db2.gz KOZCAIZYTUEOHK-UHFFFAOYSA-N -1 1 293.352 1.560 20 0 CDADMM CC(C)SCCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589761352 1173173875 /nfs/dbraw/zinc/17/38/75/1173173875.db2.gz KOZCAIZYTUEOHK-UHFFFAOYSA-N -1 1 293.352 1.560 20 0 CDADMM CC(C)n1ccc(CNc2ncncc2-c2nn[n-]n2)n1 ZINC001589782059 1173178347 /nfs/dbraw/zinc/17/83/47/1173178347.db2.gz IPSNLTCIVSWFIL-UHFFFAOYSA-N -1 1 285.315 1.046 20 0 CDADMM C[C@H](CC(F)(F)F)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589798640 1173184671 /nfs/dbraw/zinc/18/46/71/1173184671.db2.gz KSSZRYGAQBSBSI-RXMQYKEDSA-N -1 1 289.217 1.530 20 0 CDADMM C[C@H](CC(F)(F)F)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589798640 1173184677 /nfs/dbraw/zinc/18/46/77/1173184677.db2.gz KSSZRYGAQBSBSI-RXMQYKEDSA-N -1 1 289.217 1.530 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC1CCCCC1 ZINC000082317779 1173212210 /nfs/dbraw/zinc/21/22/10/1173212210.db2.gz BTMARYYJICQXGS-UHFFFAOYSA-N -1 1 267.354 1.842 20 0 CDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccnn1C ZINC001590010434 1173234971 /nfs/dbraw/zinc/23/49/71/1173234971.db2.gz QHYAVKFUACJTBT-ZETCQYMHSA-N -1 1 288.267 1.111 20 0 CDADMM CC1(C)C(Nc2ncncc2-c2nn[n-]n2)C1(C)C ZINC001590076642 1173247159 /nfs/dbraw/zinc/24/71/59/1173247159.db2.gz FRRJEJOHOXAEHL-UHFFFAOYSA-N -1 1 259.317 1.503 20 0 CDADMM CC1(C)[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)o2)C1(F)F ZINC001590077247 1173247408 /nfs/dbraw/zinc/24/74/08/1173247408.db2.gz RGLCISVEEIREDU-MRVPVSSYSA-N -1 1 297.265 1.481 20 0 CDADMM CC1(C)[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)o2)C1(F)F ZINC001590077247 1173247412 /nfs/dbraw/zinc/24/74/12/1173247412.db2.gz RGLCISVEEIREDU-MRVPVSSYSA-N -1 1 297.265 1.481 20 0 CDADMM CC1(C)C[C@@H](CNc2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001590079335 1173249368 /nfs/dbraw/zinc/24/93/68/1173249368.db2.gz FOBXGEKGPFMUQZ-VIFPVBQESA-N -1 1 289.343 1.274 20 0 CDADMM CC1(C)C[C@@H](CNc2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001590079335 1173249375 /nfs/dbraw/zinc/24/93/75/1173249375.db2.gz FOBXGEKGPFMUQZ-VIFPVBQESA-N -1 1 289.343 1.274 20 0 CDADMM C[C@@H]1C[C@@H](C)N(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590189640 1173283146 /nfs/dbraw/zinc/28/31/46/1173283146.db2.gz IOCFVISSVMEUGP-RKDXNWHRSA-N -1 1 272.312 1.132 20 0 CDADMM C[C@@H]1C[C@@H](C)N(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590189640 1173283151 /nfs/dbraw/zinc/28/31/51/1173283151.db2.gz IOCFVISSVMEUGP-RKDXNWHRSA-N -1 1 272.312 1.132 20 0 CDADMM C[C@@H]1C[C@@H]1c1noc(Cc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001590217155 1173295582 /nfs/dbraw/zinc/29/55/82/1173295582.db2.gz AFDMYSRSOOUFGK-APPZFPTMSA-N -1 1 283.295 1.359 20 0 CDADMM C[C@@H]1C[C@@H]1c1noc(Cc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001590217155 1173295588 /nfs/dbraw/zinc/29/55/88/1173295588.db2.gz AFDMYSRSOOUFGK-APPZFPTMSA-N -1 1 283.295 1.359 20 0 CDADMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001590221710 1173300051 /nfs/dbraw/zinc/30/00/51/1173300051.db2.gz ZXEGYZPYPCPDOJ-IMSYWVGJSA-N -1 1 271.328 1.361 20 0 CDADMM C[C@@H]1CC[C@@H](C)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590227914 1173305574 /nfs/dbraw/zinc/30/55/74/1173305574.db2.gz UEXJKBDQSKZURP-RKDXNWHRSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@H]1CC[C@@]2(CCN(c3cc(-c4nnn[n-]4)ncn3)C2)C1 ZINC001590240352 1173314355 /nfs/dbraw/zinc/31/43/55/1173314355.db2.gz MRBACLGATVRWPQ-IINYFYTJSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@H]1CC[C@@]2(CCN(c3cc(-c4nn[n-]n4)ncn3)C2)C1 ZINC001590240352 1173314360 /nfs/dbraw/zinc/31/43/60/1173314360.db2.gz MRBACLGATVRWPQ-IINYFYTJSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@H]1CN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001590294127 1173339253 /nfs/dbraw/zinc/33/92/53/1173339253.db2.gz KNUYNZZJYWDAFK-DTORHVGOSA-N -1 1 287.327 1.381 20 0 CDADMM C[C@H]1CN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001590294127 1173339259 /nfs/dbraw/zinc/33/92/59/1173339259.db2.gz KNUYNZZJYWDAFK-DTORHVGOSA-N -1 1 287.327 1.381 20 0 CDADMM C[C@H]1[C@@H](C)N(c2ccnc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001590316572 1173351613 /nfs/dbraw/zinc/35/16/13/1173351613.db2.gz SZDJANRAAKJVIL-OPRDCNLKSA-N -1 1 258.329 1.742 20 0 CDADMM C[C@H]1[C@@H](C)N(c2ccnc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001590316572 1173351617 /nfs/dbraw/zinc/35/16/17/1173351617.db2.gz SZDJANRAAKJVIL-OPRDCNLKSA-N -1 1 258.329 1.742 20 0 CDADMM C[C@H]1SCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)[C@@H]1C ZINC001590338152 1173363067 /nfs/dbraw/zinc/36/30/67/1173363067.db2.gz SPIVUTBXYZGRIM-HTQZYQBOSA-N -1 1 293.352 1.426 20 0 CDADMM C[C@H]1SCCN(C(=O)c2ccc(-c3nn[n-]n3)o2)[C@@H]1C ZINC001590338152 1173363076 /nfs/dbraw/zinc/36/30/76/1173363076.db2.gz SPIVUTBXYZGRIM-HTQZYQBOSA-N -1 1 293.352 1.426 20 0 CDADMM CCC(C)(CC)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590381688 1173384284 /nfs/dbraw/zinc/38/42/84/1173384284.db2.gz MKZKBBIVKWQXKP-UHFFFAOYSA-N -1 1 263.301 1.768 20 0 CDADMM CCC(C)(CC)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590381688 1173384292 /nfs/dbraw/zinc/38/42/92/1173384292.db2.gz MKZKBBIVKWQXKP-UHFFFAOYSA-N -1 1 263.301 1.768 20 0 CDADMM CC[C@H](C)c1nnc(Cc2noc(C)c2-c2nnn[n-]2)o1 ZINC001590417534 1173402244 /nfs/dbraw/zinc/40/22/44/1173402244.db2.gz JWHITHTTWLSUQX-LURJTMIESA-N -1 1 289.299 1.650 20 0 CDADMM CC[C@H](C)c1nnc(Cc2noc(C)c2-c2nn[n-]n2)o1 ZINC001590417534 1173402250 /nfs/dbraw/zinc/40/22/50/1173402250.db2.gz JWHITHTTWLSUQX-LURJTMIESA-N -1 1 289.299 1.650 20 0 CDADMM CC[C@H]1CCCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590512020 1173442672 /nfs/dbraw/zinc/44/26/72/1173442672.db2.gz BKJFIRQCMKXRRU-JTQLQIEISA-N -1 1 286.339 1.524 20 0 CDADMM CC[C@H]1CCCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590512020 1173442676 /nfs/dbraw/zinc/44/26/76/1173442676.db2.gz BKJFIRQCMKXRRU-JTQLQIEISA-N -1 1 286.339 1.524 20 0 CDADMM CC[C@H]1CN(c2ncncc2-c2nn[n-]n2)C[C@H](CC)O1 ZINC001590524756 1173451065 /nfs/dbraw/zinc/45/10/65/1173451065.db2.gz SFEGFVNWBLCLJJ-UWVGGRQHSA-N -1 1 289.343 1.051 20 0 CDADMM CC[C@H]1CO[C@H](C)CN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590524746 1173451763 /nfs/dbraw/zinc/45/17/63/1173451763.db2.gz SEPIBZVXQUAFGP-BDAKNGLRSA-N -1 1 291.311 1.099 20 0 CDADMM CC[C@H]1CO[C@H](C)CN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590524746 1173451767 /nfs/dbraw/zinc/45/17/67/1173451767.db2.gz SEPIBZVXQUAFGP-BDAKNGLRSA-N -1 1 291.311 1.099 20 0 CDADMM CCOC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001590796506 1173510195 /nfs/dbraw/zinc/51/01/95/1173510195.db2.gz NXFINSDISHTHBC-UHFFFAOYSA-N -1 1 265.342 1.149 20 0 CDADMM CC[C@@H]1C[C@H]1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590860141 1173530008 /nfs/dbraw/zinc/53/00/08/1173530008.db2.gz JDBZTTVDVFNRRB-HTRCEHHLSA-N -1 1 263.326 1.457 20 0 CDADMM CC[C@@H]1C[C@H]1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590860141 1173530012 /nfs/dbraw/zinc/53/00/12/1173530012.db2.gz JDBZTTVDVFNRRB-HTRCEHHLSA-N -1 1 263.326 1.457 20 0 CDADMM CCc1cnc(NC(=O)c2ccc(-c3nn[n-]n3)o2)s1 ZINC001590901774 1173538428 /nfs/dbraw/zinc/53/84/28/1173538428.db2.gz YLCREEGKDHHVRN-UHFFFAOYSA-N -1 1 290.308 1.731 20 0 CDADMM CN(Cc1ccoc1)Cc1nc(-c2nnn[n-]2)cs1 ZINC001591149905 1173581541 /nfs/dbraw/zinc/58/15/41/1173581541.db2.gz HAULJNYGANKWTQ-UHFFFAOYSA-N -1 1 276.325 1.548 20 0 CDADMM CN(Cc1ccoc1)Cc1nc(-c2nn[n-]n2)cs1 ZINC001591149905 1173581546 /nfs/dbraw/zinc/58/15/46/1173581546.db2.gz HAULJNYGANKWTQ-UHFFFAOYSA-N -1 1 276.325 1.548 20 0 CDADMM CN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591147603 1173581558 /nfs/dbraw/zinc/58/15/58/1173581558.db2.gz BXFDEWVVDJGPGZ-UHFFFAOYSA-N -1 1 283.291 1.732 20 0 CDADMM CN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591147603 1173581561 /nfs/dbraw/zinc/58/15/61/1173581561.db2.gz BXFDEWVVDJGPGZ-UHFFFAOYSA-N -1 1 283.291 1.732 20 0 CDADMM CN(Cc1ccon1)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001591150244 1173583061 /nfs/dbraw/zinc/58/30/61/1173583061.db2.gz QQLZMYVHENNOKD-UHFFFAOYSA-N -1 1 297.731 1.601 20 0 CDADMM CN(Cc1ccon1)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591150244 1173583065 /nfs/dbraw/zinc/58/30/65/1173583065.db2.gz QQLZMYVHENNOKD-UHFFFAOYSA-N -1 1 297.731 1.601 20 0 CDADMM CO[C@@H](C)CSc1cccnc1-c1nnn[n-]1 ZINC001591323864 1173603627 /nfs/dbraw/zinc/60/36/27/1173603627.db2.gz FZUNVEVMEYOWQC-ZETCQYMHSA-N -1 1 251.315 1.389 20 0 CDADMM CO[C@@H](C)CSc1cccnc1-c1nn[n-]n1 ZINC001591323864 1173603632 /nfs/dbraw/zinc/60/36/32/1173603632.db2.gz FZUNVEVMEYOWQC-ZETCQYMHSA-N -1 1 251.315 1.389 20 0 CDADMM COCC1(COC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC001591389648 1173642493 /nfs/dbraw/zinc/64/24/93/1173642493.db2.gz QOIRGDMIIBWNIL-UHFFFAOYSA-N -1 1 294.336 1.512 20 0 CDADMM COCC1(COC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC001591389648 1173642499 /nfs/dbraw/zinc/64/24/99/1173642499.db2.gz QOIRGDMIIBWNIL-UHFFFAOYSA-N -1 1 294.336 1.512 20 0 CDADMM COCCCCCNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001591411281 1173648252 /nfs/dbraw/zinc/64/82/52/1173648252.db2.gz OMZLBBYEKMIBQS-UHFFFAOYSA-N -1 1 276.344 1.799 20 0 CDADMM COCCCCCNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001591411281 1173648255 /nfs/dbraw/zinc/64/82/55/1173648255.db2.gz OMZLBBYEKMIBQS-UHFFFAOYSA-N -1 1 276.344 1.799 20 0 CDADMM CO[C@H]1C[C@H](OC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC001591473450 1173657888 /nfs/dbraw/zinc/65/78/88/1173657888.db2.gz FLCUNNLHMRMGRB-LJGSYFOKSA-N -1 1 280.309 1.262 20 0 CDADMM C[C@@H](Nc1ncncc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001591731490 1173692089 /nfs/dbraw/zinc/69/20/89/1173692089.db2.gz CCBGBWGDWCAPHN-MRVPVSSYSA-N -1 1 285.286 1.969 20 0 CDADMM C[C@@H]1C[C@@H](Sc2cccnc2-c2nnn[n-]2)CCO1 ZINC001591752642 1173693189 /nfs/dbraw/zinc/69/31/89/1173693189.db2.gz XBUXKSMPPCZVSP-BDAKNGLRSA-N -1 1 277.353 1.921 20 0 CDADMM C[C@@H]1C[C@@H](Sc2cccnc2-c2nn[n-]n2)CCO1 ZINC001591752642 1173693193 /nfs/dbraw/zinc/69/31/93/1173693193.db2.gz XBUXKSMPPCZVSP-BDAKNGLRSA-N -1 1 277.353 1.921 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCc2cc(C3CC3)no2)n1 ZINC001591900987 1173744531 /nfs/dbraw/zinc/74/45/31/1173744531.db2.gz RNMYTKPDAXTSTE-UHFFFAOYSA-N -1 1 298.310 1.443 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCc2cc(C3CC3)no2)n1 ZINC001591900987 1173744534 /nfs/dbraw/zinc/74/45/34/1173744534.db2.gz RNMYTKPDAXTSTE-UHFFFAOYSA-N -1 1 298.310 1.443 20 0 CDADMM Cc1cc(=O)[nH]c(NC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001592031133 1173777514 /nfs/dbraw/zinc/77/75/14/1173777514.db2.gz CKGIGAUYVOGJOT-UHFFFAOYSA-N -1 1 286.251 1.121 20 0 CDADMM Cc1cc(=O)[nH]c(NC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001592031133 1173777520 /nfs/dbraw/zinc/77/75/20/1173777520.db2.gz CKGIGAUYVOGJOT-UHFFFAOYSA-N -1 1 286.251 1.121 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001592110079 1173803004 /nfs/dbraw/zinc/80/30/04/1173803004.db2.gz JLZCDOWCGPFACK-AOOOYVTPSA-N -1 1 270.340 1.662 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCC(C)(C)CCO ZINC001592113360 1173804591 /nfs/dbraw/zinc/80/45/91/1173804591.db2.gz DZRIQINHEMKETL-UHFFFAOYSA-N -1 1 276.344 1.391 20 0 CDADMM Cc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)nc1 ZINC001592181904 1173824973 /nfs/dbraw/zinc/82/49/73/1173824973.db2.gz BZFBYSDNVMSNKL-UHFFFAOYSA-N -1 1 295.306 1.146 20 0 CDADMM Cc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)nc1 ZINC001592181904 1173824976 /nfs/dbraw/zinc/82/49/76/1173824976.db2.gz BZFBYSDNVMSNKL-UHFFFAOYSA-N -1 1 295.306 1.146 20 0 CDADMM Cc1ccc(NCC[C@@H](C)CCO)nc1-c1nnn[n-]1 ZINC001592182913 1173825594 /nfs/dbraw/zinc/82/55/94/1173825594.db2.gz DZMROLNBEVAMBJ-SECBINFHSA-N -1 1 276.344 1.391 20 0 CDADMM Cc1ccc(NCC[C@@H](C)CCO)nc1-c1nn[n-]n1 ZINC001592182913 1173825601 /nfs/dbraw/zinc/82/56/01/1173825601.db2.gz DZMROLNBEVAMBJ-SECBINFHSA-N -1 1 276.344 1.391 20 0 CDADMM Cc1ccc(N2CC[C@@H]3C[C@@H]3C2)c(-c2nnn[n-]2)n1 ZINC001592177588 1173825610 /nfs/dbraw/zinc/82/56/10/1173825610.db2.gz BVULKUMNXHVHJP-NXEZZACHSA-N -1 1 256.313 1.416 20 0 CDADMM Cc1ccc(N2CC[C@@H]3C[C@@H]3C2)c(-c2nn[n-]n2)n1 ZINC001592177588 1173825613 /nfs/dbraw/zinc/82/56/13/1173825613.db2.gz BVULKUMNXHVHJP-NXEZZACHSA-N -1 1 256.313 1.416 20 0 CDADMM Cc1ccc(N[C@H]2CCOC(C)(C)C2)c(-c2nnn[n-]2)n1 ZINC001592183235 1173827753 /nfs/dbraw/zinc/82/77/53/1173827753.db2.gz BEWUUUYXMMJFES-JTQLQIEISA-N -1 1 288.355 1.940 20 0 CDADMM Cc1ccc(N[C@H]2CCOC(C)(C)C2)c(-c2nn[n-]n2)n1 ZINC001592183235 1173827761 /nfs/dbraw/zinc/82/77/61/1173827761.db2.gz BEWUUUYXMMJFES-JTQLQIEISA-N -1 1 288.355 1.940 20 0 CDADMM Cc1ccc(N[C@H]2COCC2(C)C)nc1-c1nnn[n-]1 ZINC001592183641 1173827896 /nfs/dbraw/zinc/82/78/96/1173827896.db2.gz HHSGFQGUCCACRJ-VIFPVBQESA-N -1 1 274.328 1.407 20 0 CDADMM Cc1ccc(N[C@H]2COCC2(C)C)nc1-c1nn[n-]n1 ZINC001592183641 1173827898 /nfs/dbraw/zinc/82/78/98/1173827898.db2.gz HHSGFQGUCCACRJ-VIFPVBQESA-N -1 1 274.328 1.407 20 0 CDADMM Cc1ccc(NCCCn2cccn2)nc1-c1nn[n-]n1 ZINC001592185764 1173830639 /nfs/dbraw/zinc/83/06/39/1173830639.db2.gz MAGPGZVGPHOQSQ-UHFFFAOYSA-N -1 1 284.327 1.269 20 0 CDADMM Cc1cncc(NC(=O)c2ccsc2-c2nnn[n-]2)c1 ZINC001592300458 1173851054 /nfs/dbraw/zinc/85/10/54/1173851054.db2.gz ZFPANHFWNFFXNU-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM Cc1cncc(NC(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001592300458 1173851057 /nfs/dbraw/zinc/85/10/57/1173851057.db2.gz ZFPANHFWNFFXNU-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM Cc1nnc([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)o2)o1 ZINC001592441457 1173889580 /nfs/dbraw/zinc/88/95/80/1173889580.db2.gz URXQKWDVQZHTPR-RXMQYKEDSA-N -1 1 290.239 1.069 20 0 CDADMM Cc1noc(C)c1COC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001592459078 1173897696 /nfs/dbraw/zinc/89/76/96/1173897696.db2.gz IYKNMJHFFPLXKE-UHFFFAOYSA-N -1 1 289.251 1.422 20 0 CDADMM Cc1noc(C)c1COC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001592459078 1173897708 /nfs/dbraw/zinc/89/77/08/1173897708.db2.gz IYKNMJHFFPLXKE-UHFFFAOYSA-N -1 1 289.251 1.422 20 0 CDADMM Cc1nsc(N2CC(c3ccccn3)C2)c1-c1nn[n-]n1 ZINC001592471681 1173898922 /nfs/dbraw/zinc/89/89/22/1173898922.db2.gz DTWJGJCTZUQUJF-UHFFFAOYSA-N -1 1 299.363 1.630 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC1(C2(C)CC2)CC1 ZINC001592499406 1173905674 /nfs/dbraw/zinc/90/56/74/1173905674.db2.gz MFFHFKKUPKZWNA-UHFFFAOYSA-N -1 1 287.323 1.831 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC1(C2(C)CC2)CC1 ZINC001592499406 1173905682 /nfs/dbraw/zinc/90/56/82/1173905682.db2.gz MFFHFKKUPKZWNA-UHFFFAOYSA-N -1 1 287.323 1.831 20 0 CDADMM Fc1cc(CNc2ncccn2)cc(F)c1-c1nnn[n-]1 ZINC001592638801 1173947914 /nfs/dbraw/zinc/94/79/14/1173947914.db2.gz GRNDRTAOWYUZEE-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM Fc1cc(CNc2ncccn2)cc(F)c1-c1nn[n-]n1 ZINC001592638801 1173947918 /nfs/dbraw/zinc/94/79/18/1173947918.db2.gz GRNDRTAOWYUZEE-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM Fc1cccc2c1CC[C@H]2Nc1cncc(-c2nnn[n-]2)n1 ZINC001592660796 1173957385 /nfs/dbraw/zinc/95/73/85/1173957385.db2.gz ICAJXJMVODOBAS-LLVKDONJSA-N -1 1 297.297 1.895 20 0 CDADMM Fc1cccc2c1CC[C@H]2Nc1cncc(-c2nn[n-]n2)n1 ZINC001592660796 1173957390 /nfs/dbraw/zinc/95/73/90/1173957390.db2.gz ICAJXJMVODOBAS-LLVKDONJSA-N -1 1 297.297 1.895 20 0 CDADMM O=C([C@@H]1CC12CC2)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001592775896 1173988236 /nfs/dbraw/zinc/98/82/36/1173988236.db2.gz PYPFHHYHICQNQJ-VIFPVBQESA-N -1 1 296.334 1.341 20 0 CDADMM O=C([C@@H]1CC12CC2)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001592775896 1173988242 /nfs/dbraw/zinc/98/82/42/1173988242.db2.gz PYPFHHYHICQNQJ-VIFPVBQESA-N -1 1 296.334 1.341 20 0 CDADMM O=C(CCCC1CCCC1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592836904 1173997346 /nfs/dbraw/zinc/99/73/46/1173997346.db2.gz WCJVVNTWMHBYTQ-UHFFFAOYSA-N -1 1 289.343 1.889 20 0 CDADMM O=C(CCCC1CCCC1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592836904 1173997349 /nfs/dbraw/zinc/99/73/49/1173997349.db2.gz WCJVVNTWMHBYTQ-UHFFFAOYSA-N -1 1 289.343 1.889 20 0 CDADMM O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)c1ccc(-c2nnn[n-]2)o1 ZINC001592970979 1174008496 /nfs/dbraw/zinc/00/84/96/1174008496.db2.gz FNMKOMGFTUEBGW-DJLDLDEBSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)c1ccc(-c2nn[n-]n2)o1 ZINC001592970979 1174008501 /nfs/dbraw/zinc/00/85/01/1174008501.db2.gz FNMKOMGFTUEBGW-DJLDLDEBSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(NCC1=CCCOC1)c1csc(-c2nn[n-]n2)c1 ZINC001593021676 1174011708 /nfs/dbraw/zinc/01/17/08/1174011708.db2.gz NUIIGAFOTDDDOF-UHFFFAOYSA-N -1 1 291.336 1.005 20 0 CDADMM O=C(NC[C@@H]1Cc2ccccc21)c1ccc(-c2nnn[n-]2)o1 ZINC001593048085 1174017114 /nfs/dbraw/zinc/01/71/14/1174017114.db2.gz YIECIZDNSCGMQN-JTQLQIEISA-N -1 1 295.302 1.529 20 0 CDADMM O=C(NC[C@@H]1Cc2ccccc21)c1ccc(-c2nn[n-]n2)o1 ZINC001593048085 1174017123 /nfs/dbraw/zinc/01/71/23/1174017123.db2.gz YIECIZDNSCGMQN-JTQLQIEISA-N -1 1 295.302 1.529 20 0 CDADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1ccsc1 ZINC001593151989 1174027188 /nfs/dbraw/zinc/02/71/88/1174027188.db2.gz QDOHGEDZQCOYEP-UHFFFAOYSA-N -1 1 292.349 1.315 20 0 CDADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1ccsc1 ZINC001593151989 1174027190 /nfs/dbraw/zinc/02/71/90/1174027190.db2.gz QDOHGEDZQCOYEP-UHFFFAOYSA-N -1 1 292.349 1.315 20 0 CDADMM O=C(N[C@]12C[C@H]1CCC2)c1ccc(-c2nnn[n-]2)o1 ZINC001593182411 1174031722 /nfs/dbraw/zinc/03/17/22/1174031722.db2.gz JZUCNZOLERDOLW-JMCQJSRRSA-N -1 1 259.269 1.132 20 0 CDADMM O=C(N[C@]12C[C@H]1CCC2)c1ccc(-c2nn[n-]n2)o1 ZINC001593182411 1174031727 /nfs/dbraw/zinc/03/17/27/1174031727.db2.gz JZUCNZOLERDOLW-JMCQJSRRSA-N -1 1 259.269 1.132 20 0 CDADMM O=C(O[C@H]1CCC12CCC2)c1coc(-c2nnn[n-]2)c1 ZINC001593282170 1174049005 /nfs/dbraw/zinc/04/90/05/1174049005.db2.gz PVUJDGIJKTXPAJ-JTQLQIEISA-N -1 1 274.280 1.949 20 0 CDADMM O=C(O[C@H]1CCC12CCC2)c1coc(-c2nn[n-]n2)c1 ZINC001593282170 1174049008 /nfs/dbraw/zinc/04/90/08/1174049008.db2.gz PVUJDGIJKTXPAJ-JTQLQIEISA-N -1 1 274.280 1.949 20 0 CDADMM O=C(OC[C@@H]1CCCS1)c1cccc(-c2nnn[n-]2)n1 ZINC001593284425 1174050684 /nfs/dbraw/zinc/05/06/84/1174050684.db2.gz NZWNJCZVDZSYHW-QMMMGPOBSA-N -1 1 291.336 1.314 20 0 CDADMM O=C(OC[C@@H]1CCCS1)c1cccc(-c2nn[n-]n2)n1 ZINC001593284425 1174050691 /nfs/dbraw/zinc/05/06/91/1174050691.db2.gz NZWNJCZVDZSYHW-QMMMGPOBSA-N -1 1 291.336 1.314 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001593494746 1174088216 /nfs/dbraw/zinc/08/82/16/1174088216.db2.gz VPYQJXCFSQACEE-HOSYDEDBSA-N -1 1 269.308 1.241 20 0 CDADMM O=c1c2sccc2c(-c2nn[n-]n2)cn1CCCF ZINC001593494884 1174088238 /nfs/dbraw/zinc/08/82/38/1174088238.db2.gz ROXUNRABMRLPAU-UHFFFAOYSA-N -1 1 279.300 1.603 20 0 CDADMM c1cc(N2CC[C@@H]([C@H]3CCCO3)C2)cc(-c2nnn[n-]2)n1 ZINC001593557639 1174130611 /nfs/dbraw/zinc/13/06/11/1174130611.db2.gz PVKDJXDDFBMYGA-ZWNOBZJWSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(N2CC[C@@H]([C@H]3CCCO3)C2)cc(-c2nn[n-]n2)n1 ZINC001593557639 1174130618 /nfs/dbraw/zinc/13/06/18/1174130618.db2.gz PVKDJXDDFBMYGA-ZWNOBZJWSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(NC[C@]23C[C@H]2CCCC3)nc(-c2nn[n-]n2)n1 ZINC001593558714 1174132914 /nfs/dbraw/zinc/13/29/14/1174132914.db2.gz PJYADLFATYAPHA-RNCFNFMXSA-N -1 1 271.328 1.071 20 0 CDADMM c1c(Cn2cc(-c3nn[n-]n3)nn2)onc1-c1ccccc1 ZINC001593568432 1174141987 /nfs/dbraw/zinc/14/19/87/1174141987.db2.gz JKQKMHVCVDNNDV-UHFFFAOYSA-N -1 1 294.278 1.162 20 0 CDADMM c1ccc2c(c1)CN(c1cnc(-c3nnn[n-]3)cn1)CCO2 ZINC001593581019 1174147423 /nfs/dbraw/zinc/14/74/23/1174147423.db2.gz XEJGCMIZTUANAC-UHFFFAOYSA-N -1 1 295.306 1.056 20 0 CDADMM c1ccc2c(c1)CN(c1cnc(-c3nn[n-]n3)cn1)CCO2 ZINC001593581019 1174147428 /nfs/dbraw/zinc/14/74/28/1174147428.db2.gz XEJGCMIZTUANAC-UHFFFAOYSA-N -1 1 295.306 1.056 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@H]2CCC[C@H]2C2CC2)n1 ZINC001593582899 1174147869 /nfs/dbraw/zinc/14/78/69/1174147869.db2.gz DWTRPRZRAXYLRF-MNOVXSKESA-N -1 1 285.355 1.895 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@H]2CCC[C@H]2C2CC2)n1 ZINC001593582899 1174147875 /nfs/dbraw/zinc/14/78/75/1174147875.db2.gz DWTRPRZRAXYLRF-MNOVXSKESA-N -1 1 285.355 1.895 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC001593583081 1174151339 /nfs/dbraw/zinc/15/13/39/1174151339.db2.gz MUSRBSWNEAXYRU-SWIWVBGMSA-N -1 1 284.323 1.097 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC001593583081 1174151344 /nfs/dbraw/zinc/15/13/44/1174151344.db2.gz MUSRBSWNEAXYRU-SWIWVBGMSA-N -1 1 284.323 1.097 20 0 CDADMM c1cncc([C@H](Nc2ccnc(-c3nnn[n-]3)c2)C2CC2)c1 ZINC001593588333 1174154462 /nfs/dbraw/zinc/15/44/62/1174154462.db2.gz XJTGHHFYTWBEKS-CQSZACIVSA-N -1 1 293.334 1.642 20 0 CDADMM c1cncc([C@H](Nc2ccnc(-c3nn[n-]n3)c2)C2CC2)c1 ZINC001593588333 1174154467 /nfs/dbraw/zinc/15/44/67/1174154467.db2.gz XJTGHHFYTWBEKS-CQSZACIVSA-N -1 1 293.334 1.642 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001593594970 1174164947 /nfs/dbraw/zinc/16/49/47/1174164947.db2.gz KPMQMRRWDMPVSL-BBBLOLIVSA-N -1 1 271.328 1.505 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001593594970 1174164951 /nfs/dbraw/zinc/16/49/51/1174164951.db2.gz KPMQMRRWDMPVSL-BBBLOLIVSA-N -1 1 271.328 1.505 20 0 CDADMM O=c1[n-]c(CN2C[C@@H]3CCCC[C@]32c2ccccc2)n[nH]1 ZINC000091594743 1174302526 /nfs/dbraw/zinc/30/25/26/1174302526.db2.gz IKHZVTCTNAVGQN-BBRMVZONSA-N -1 1 284.363 1.999 20 0 CDADMM Cc1cc(CN(C)CCn2cccn2)[nH]c1C(=O)[O-] ZINC001600190563 1174393660 /nfs/dbraw/zinc/39/36/60/1174393660.db2.gz QFCLAKOFCKHVRR-UHFFFAOYSA-N -1 1 262.313 1.350 20 0 CDADMM Cc1nc(CN[C@]2(CC(=O)[O-])CCOC2)cs1 ZINC001600702123 1174571926 /nfs/dbraw/zinc/57/19/26/1174571926.db2.gz KDGLVBDIOPYPNA-NSHDSACASA-N -1 1 256.327 1.175 20 0 CDADMM Cn1cc(Br)c(CN[C@@H](C(=O)[O-])C2CC2)n1 ZINC001600926856 1174667127 /nfs/dbraw/zinc/66/71/27/1174667127.db2.gz IPNVBWNNNCRGPU-SECBINFHSA-N -1 1 288.145 1.135 20 0 CDADMM Cc1nc(CNc2ccnc(-c3nnn[n-]3)c2)cs1 ZINC000103649088 1174683173 /nfs/dbraw/zinc/68/31/73/1174683173.db2.gz BWLIFZRMNVCFMB-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1nc(CNc2ccnc(-c3nn[n-]n3)c2)cs1 ZINC000103649088 1174683176 /nfs/dbraw/zinc/68/31/76/1174683176.db2.gz BWLIFZRMNVCFMB-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCCC2(CC2)C1 ZINC001601565718 1174901115 /nfs/dbraw/zinc/90/11/15/1174901115.db2.gz MJRLWVZNCSSEMF-JQWIXIFHSA-N -1 1 291.351 1.492 20 0 CDADMM O=C([O-])C1CC2(C1)C[N@@H+](CCCCCCO)C[C@@H]2C(=O)[O-] ZINC001601779237 1175003591 /nfs/dbraw/zinc/00/35/91/1175003591.db2.gz GEDSRFUXQVWWRW-MQYJIDSJSA-N -1 1 299.367 1.037 20 0 CDADMM O=C([O-])/C=C\c1ccc(CN2CCC[C@H](OCCO)C2)o1 ZINC001601879544 1175048644 /nfs/dbraw/zinc/04/86/44/1175048644.db2.gz LPHNRHVFFVOIIA-SZZPACECSA-N -1 1 295.335 1.351 20 0 CDADMM O=C([O-])CC1(NC(=O)c2[nH]ncc2F)CCCC1 ZINC001601933620 1175072064 /nfs/dbraw/zinc/07/20/64/1175072064.db2.gz JZCIEKDITGYFSJ-UHFFFAOYSA-N -1 1 255.249 1.066 20 0 CDADMM O=C([O-])CC1(NCc2nnc3n2CCCCC3)CC1 ZINC001601937745 1175074684 /nfs/dbraw/zinc/07/46/84/1175074684.db2.gz CNPPBOBRUREGFS-UHFFFAOYSA-N -1 1 264.329 1.101 20 0 CDADMM O=C([O-])CC1CC(NC(=O)[C@H]2Cc3ccccc3CN2)C1 ZINC001601941997 1175076414 /nfs/dbraw/zinc/07/64/14/1175076414.db2.gz DPTBEWUROPGZGZ-UZANAETPSA-N -1 1 288.347 1.070 20 0 CDADMM O=C([O-])Cc1cccc(-c2nc([C@H]3CCCN3)no2)c1 ZINC001602133253 1175137903 /nfs/dbraw/zinc/13/79/03/1175137903.db2.gz WFDKLJAIUFWGHT-LLVKDONJSA-N -1 1 273.292 1.788 20 0 CDADMM O=C([O-])Cn1cc(CNC[C@@H]2CCCCC2(F)F)nn1 ZINC001602162282 1175148055 /nfs/dbraw/zinc/14/80/55/1175148055.db2.gz SPFLPQMTBLZYCN-VIFPVBQESA-N -1 1 288.298 1.278 20 0 CDADMM O=C([O-])c1cc(CN2CC[C@@](O)(C(F)F)C2)cs1 ZINC001602256917 1175184428 /nfs/dbraw/zinc/18/44/28/1175184428.db2.gz PKKINZUJTZYZMM-NSHDSACASA-N -1 1 277.292 1.648 20 0 CDADMM O=C([O-])c1ccc2[nH]c(CN3CCc4cn[nH]c4C3)nc2c1 ZINC001602407104 1175233686 /nfs/dbraw/zinc/23/36/86/1175233686.db2.gz WKNSDNFMWLPNRN-UHFFFAOYSA-N -1 1 297.318 1.543 20 0 CDADMM C(=C/c1ccccc1)\CNc1ncncc1-c1nn[n-]n1 ZINC001602745675 1175382188 /nfs/dbraw/zinc/38/21/88/1175382188.db2.gz OFCQEDQERAPWMS-QPJJXVBHSA-N -1 1 279.307 1.782 20 0 CDADMM C/C(=C\C(=O)[O-])CN1CCN(c2cccc(F)c2)CC1 ZINC001602957218 1175459008 /nfs/dbraw/zinc/45/90/08/1175459008.db2.gz FLODAZAQUJWYJI-FMIVXFBMSA-N -1 1 278.327 1.979 20 0 CDADMM CC(=O)Nc1ccc(CNCc2ccc(C(=O)[O-])[nH]2)cn1 ZINC001603071279 1175485975 /nfs/dbraw/zinc/48/59/75/1175485975.db2.gz SSUJJPBUGXJAAU-UHFFFAOYSA-N -1 1 288.307 1.356 20 0 CDADMM CC(C)(CC(F)(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001603137089 1175499457 /nfs/dbraw/zinc/49/94/57/1175499457.db2.gz MVKPOTUPSVVVBN-UHFFFAOYSA-N -1 1 287.249 1.800 20 0 CDADMM CC(C)(CC(F)(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001603137089 1175499462 /nfs/dbraw/zinc/49/94/62/1175499462.db2.gz MVKPOTUPSVVVBN-UHFFFAOYSA-N -1 1 287.249 1.800 20 0 CDADMM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Cc2cnc[nH]2)c1 ZINC001603218350 1175517376 /nfs/dbraw/zinc/51/73/76/1175517376.db2.gz RRZJUDCZMJSIDR-SECBINFHSA-N -1 1 273.292 1.779 20 0 CDADMM CC(C)C1(COC(=O)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001603237914 1175522922 /nfs/dbraw/zinc/52/29/22/1175522922.db2.gz IJINBCVGVKQWCZ-UHFFFAOYSA-N -1 1 287.323 1.855 20 0 CDADMM CC(C)C1(COC(=O)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001603237914 1175522929 /nfs/dbraw/zinc/52/29/29/1175522929.db2.gz IJINBCVGVKQWCZ-UHFFFAOYSA-N -1 1 287.323 1.855 20 0 CDADMM CC(C)C[C@H](CCO)CNc1ncncc1-c1nn[n-]n1 ZINC001603263806 1175528686 /nfs/dbraw/zinc/52/86/86/1175528686.db2.gz USPBOTODXYFLIJ-JTQLQIEISA-N -1 1 291.359 1.113 20 0 CDADMM CC(C)C[C@H](C)Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001603259276 1175528833 /nfs/dbraw/zinc/52/88/33/1175528833.db2.gz FRAZRAYUEYWDMS-JTQLQIEISA-N -1 1 261.329 1.711 20 0 CDADMM CC(C)C[C@H](C)COc1cnc(-c2nn[n-]n2)nc1 ZINC001603259968 1175529461 /nfs/dbraw/zinc/52/94/61/1175529461.db2.gz RXJJWEDFHSXZTL-VIFPVBQESA-N -1 1 262.317 1.718 20 0 CDADMM CC(C)(C)[C@@H](NCC(=O)N1CCCCCC1)C(=O)[O-] ZINC001603311260 1175536413 /nfs/dbraw/zinc/53/64/13/1175536413.db2.gz ZTVSDGXCWBMACL-LBPRGKRZSA-N -1 1 270.373 1.478 20 0 CDADMM CC(C)OC1(CNc2ncncc2-c2nn[n-]n2)CCC1 ZINC001603347872 1175545862 /nfs/dbraw/zinc/54/58/62/1175545862.db2.gz UDFVAQKAFFVGKT-UHFFFAOYSA-N -1 1 289.343 1.416 20 0 CDADMM CC(C)OCCONC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603357349 1175548058 /nfs/dbraw/zinc/54/80/58/1175548058.db2.gz RLELIDROCKOOGY-UHFFFAOYSA-N -1 1 297.340 1.015 20 0 CDADMM CC(C)n1ncnc1CNc1cccc(-c2nnn[n-]2)n1 ZINC001603435934 1175554885 /nfs/dbraw/zinc/55/48/85/1175554885.db2.gz IGOFYKYYGWESAB-UHFFFAOYSA-N -1 1 285.315 1.046 20 0 CDADMM CC(C)n1ncnc1CNc1cccc(-c2nn[n-]n2)n1 ZINC001603435934 1175554891 /nfs/dbraw/zinc/55/48/91/1175554891.db2.gz IGOFYKYYGWESAB-UHFFFAOYSA-N -1 1 285.315 1.046 20 0 CDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)CC(F)(F)F ZINC001603554871 1175563930 /nfs/dbraw/zinc/56/39/30/1175563930.db2.gz MDPZEHWDMSGDEV-ZCFIWIBFSA-N -1 1 287.249 1.657 20 0 CDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)CC(F)(F)F ZINC001603554871 1175563936 /nfs/dbraw/zinc/56/39/36/1175563936.db2.gz MDPZEHWDMSGDEV-ZCFIWIBFSA-N -1 1 287.249 1.657 20 0 CDADMM CC(F)(F)CCCOC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001603595852 1175575199 /nfs/dbraw/zinc/57/51/99/1175575199.db2.gz YIZQCWRVRKXYBW-UHFFFAOYSA-N -1 1 297.265 1.854 20 0 CDADMM CC(F)(F)CCCOC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001603595852 1175575207 /nfs/dbraw/zinc/57/52/07/1175575207.db2.gz YIZQCWRVRKXYBW-UHFFFAOYSA-N -1 1 297.265 1.854 20 0 CDADMM CC1(C)CN(c2cccc(-c3nnn[n-]3)n2)[C@@H]2COC[C@@H]21 ZINC001603788466 1175630633 /nfs/dbraw/zinc/63/06/33/1175630633.db2.gz XQQZXFLOYIZSLG-GXSJLCMTSA-N -1 1 286.339 1.123 20 0 CDADMM CC1(C)CN(c2cccc(-c3nn[n-]n3)n2)[C@@H]2COC[C@@H]21 ZINC001603788466 1175630638 /nfs/dbraw/zinc/63/06/38/1175630638.db2.gz XQQZXFLOYIZSLG-GXSJLCMTSA-N -1 1 286.339 1.123 20 0 CDADMM CC(C)CC[C@H](CO)NCc1ncc(C(=O)[O-])s1 ZINC001603789687 1175631728 /nfs/dbraw/zinc/63/17/28/1175631728.db2.gz WHLNOSDFQRRJFW-SECBINFHSA-N -1 1 272.370 1.728 20 0 CDADMM C[C@@H]1C[C@H](C)[C@H](C)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001603844507 1175650993 /nfs/dbraw/zinc/65/09/93/1175650993.db2.gz BWYXTDFVGYYMMC-UTLUCORTSA-N -1 1 273.344 1.528 20 0 CDADMM C[C@@H]1CCC(=O)CN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001603874223 1175663858 /nfs/dbraw/zinc/66/38/58/1175663858.db2.gz SVLXRNAQQPTTTM-RXMQYKEDSA-N -1 1 298.759 1.534 20 0 CDADMM C[C@@H]1CCC(=O)CN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001603874223 1175663862 /nfs/dbraw/zinc/66/38/62/1175663862.db2.gz SVLXRNAQQPTTTM-RXMQYKEDSA-N -1 1 298.759 1.534 20 0 CDADMM C[C@H]1CC[C@H](C(=O)OCc2ccc(-c3nnn[n-]3)o2)C1 ZINC001603871968 1175664269 /nfs/dbraw/zinc/66/42/69/1175664269.db2.gz 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BKXSOBITXORRBI-VIFPVBQESA-N -1 1 266.366 1.928 20 0 CDADMM CCc1nc([C@@H](C)NCc2cccc(C(=O)[O-])c2)n[nH]1 ZINC000263406380 598204897 /nfs/dbraw/zinc/20/48/97/598204897.db2.gz JYRHLGCPHZMMSN-SECBINFHSA-N -1 1 274.324 1.916 20 0 CDADMM CN(C)C(=O)[C@H]1CCCN1Cc1cccc(C(=O)[O-])c1 ZINC000820524199 598210425 /nfs/dbraw/zinc/21/04/25/598210425.db2.gz JCYBMNZNLHXQCQ-CYBMUJFWSA-N -1 1 276.336 1.437 20 0 CDADMM C[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1nnc[nH]1 ZINC000230435728 598212289 /nfs/dbraw/zinc/21/22/89/598212289.db2.gz BATKOCYLWCJYGG-MRVPVSSYSA-N -1 1 289.295 1.315 20 0 CDADMM CC1(CNc2nccnc2-c2nnn[n-]2)CCCC1 ZINC000095157157 598537486 /nfs/dbraw/zinc/53/74/86/598537486.db2.gz KAUFAUIDNSFHBS-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM CC1(CNc2nccnc2-c2nn[n-]n2)CCCC1 ZINC000095157157 598537487 /nfs/dbraw/zinc/53/74/87/598537487.db2.gz KAUFAUIDNSFHBS-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM O=C([O-])c1cnc(CN2CC[C@H]([C@@H]3CCOC3)C2)s1 ZINC001602520080 1175268261 /nfs/dbraw/zinc/26/82/61/1175268261.db2.gz XRTKPROPXSNCAF-VHSXEESVSA-N -1 1 282.365 1.700 20 0 CDADMM CO[C@H](CNc1cccc(-c2nnn[n-]2)n1)C(C)C ZINC000821678070 599687467 /nfs/dbraw/zinc/68/74/67/599687467.db2.gz JCGVSSPXQRJXDK-SNVBAGLBSA-N -1 1 262.317 1.345 20 0 CDADMM CO[C@H](CNc1cccc(-c2nn[n-]n2)n1)C(C)C ZINC000821678070 599687468 /nfs/dbraw/zinc/68/74/68/599687468.db2.gz JCGVSSPXQRJXDK-SNVBAGLBSA-N -1 1 262.317 1.345 20 0 CDADMM Cc1ccsc1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000019514603 599775525 /nfs/dbraw/zinc/77/55/25/599775525.db2.gz KQIPGWUJMDTRIG-VIFPVBQESA-N -1 1 279.321 1.205 20 0 CDADMM CCC(CC)NC(=O)[C@@H](C)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405418065 600302239 /nfs/dbraw/zinc/30/22/39/600302239.db2.gz YVCVVSCBZYWENT-YPMHNXCESA-N -1 1 296.411 1.866 20 0 CDADMM O=C([O-])[C@@H]1CN(C(=O)c2ncccc2O)c2ccccc21 ZINC000131986976 600364980 /nfs/dbraw/zinc/36/49/80/600364980.db2.gz FBMPVLSIHSWGGT-SNVBAGLBSA-N -1 1 284.271 1.616 20 0 CDADMM CC[C@](C)(NCC(=O)NCc1cccs1)C(=O)[O-] ZINC000094229217 600559875 /nfs/dbraw/zinc/55/98/75/600559875.db2.gz OXAGWKSHBJWIPW-LBPRGKRZSA-N -1 1 270.354 1.207 20 0 CDADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1CCOC1 ZINC000824663407 607900570 /nfs/dbraw/zinc/90/05/70/607900570.db2.gz ZCTYQDPBKCGRHZ-DTWKUNHWSA-N -1 1 260.301 1.099 20 0 CDADMM O=C([O-])c1ccc(OCCN2CCC[C@H](O)C2)c(Cl)c1 ZINC000833321160 600816814 /nfs/dbraw/zinc/81/68/14/600816814.db2.gz KFFJZBMXXLVBDO-NSHDSACASA-N -1 1 299.754 1.874 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCN(C3CCC3)CC2)C1 ZINC000328420859 600951985 /nfs/dbraw/zinc/95/19/85/600951985.db2.gz RPDAYGBPTFNODV-QWHCGFSZSA-N -1 1 294.395 1.574 20 0 CDADMM CC[C@@H](O)CN1CCN([C@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000829004410 601012639 /nfs/dbraw/zinc/01/26/39/601012639.db2.gz HPXLBWLVOZXJCL-VXGBXAGGSA-N -1 1 296.367 1.427 20 0 CDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)C[C@H](C)C2CC2)CC1 ZINC000827225695 601091512 /nfs/dbraw/zinc/09/15/12/601091512.db2.gz BSSKMVDPAANAIF-NWDGAFQWSA-N -1 1 282.384 1.430 20 0 CDADMM C[C@@H](C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-])N(C)C ZINC000832803464 601137417 /nfs/dbraw/zinc/13/74/17/601137417.db2.gz KVVWCQFSZUNVGC-CMPLNLGQSA-N -1 1 296.342 1.135 20 0 CDADMM C[C@@H](C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)N(C)C ZINC000832803057 601138110 /nfs/dbraw/zinc/13/81/10/601138110.db2.gz AZCJDPDYFFFUNT-JTQLQIEISA-N -1 1 279.340 1.685 20 0 CDADMM C[C@H](C1CC1)N(C(=O)CN[C@](C)(C(=O)[O-])C1CC1)C1CC1 ZINC000827214008 601175315 /nfs/dbraw/zinc/17/53/15/601175315.db2.gz WBMUQLITROIYPE-HWPZZCPQSA-N -1 1 294.395 1.619 20 0 CDADMM Cc1cc(CN(C)Cc2nnc[nH]2)oc1C(=O)[O-] ZINC000832881577 601320666 /nfs/dbraw/zinc/32/06/66/601320666.db2.gz HMGADDLCRMMYEU-UHFFFAOYSA-N -1 1 250.258 1.036 20 0 CDADMM CO[C@@H]1CCN(Cn2ncc3cc(C(=O)[O-])ccc32)C1 ZINC000831841661 601373461 /nfs/dbraw/zinc/37/34/61/601373461.db2.gz KFGQQYSXVRDGSJ-GFCCVEGCSA-N -1 1 275.308 1.413 20 0 CDADMM C[C@H](CN(CN1C(=O)[C@@H]2CCCCC[C@@H]21)C1CC1)C(=O)[O-] ZINC000827449137 601398163 /nfs/dbraw/zinc/39/81/63/601398163.db2.gz HBNWZDAOQWTUPU-BNOWGMLFSA-N -1 1 294.395 1.920 20 0 CDADMM O=C([O-])C[N@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000833249732 601431411 /nfs/dbraw/zinc/43/14/11/601431411.db2.gz KLJQWRLXCZEMLJ-GHMZBOCLSA-N -1 1 255.314 1.426 20 0 CDADMM COc1ccc(OCCCN2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000832444634 601444430 /nfs/dbraw/zinc/44/44/30/601444430.db2.gz SWNMXKJWBSIRSW-HNNXBMFYSA-N -1 1 297.326 1.963 20 0 CDADMM CCc1oc(C(=O)[O-])cc1CNC1(C(N)=O)CCCCC1 ZINC000830376556 601486148 /nfs/dbraw/zinc/48/61/48/601486148.db2.gz XNWOXPZIYANPOC-UHFFFAOYSA-N -1 1 294.351 1.818 20 0 CDADMM CCCCNC(=O)CNC1(C(=O)[O-])CCC(CC)CC1 ZINC000829401056 601494729 /nfs/dbraw/zinc/49/47/29/601494729.db2.gz BZEGOXXNZAIHNG-UHFFFAOYSA-N -1 1 284.400 1.916 20 0 CDADMM Cc1cccc(NC(=O)CN2C[C@H](C)[C@H](C(=O)[O-])C2)c1C ZINC000111253928 601509877 /nfs/dbraw/zinc/50/98/77/601509877.db2.gz QZSGZOYPZVBKAR-WCQYABFASA-N -1 1 290.363 1.894 20 0 CDADMM O=C([O-])C[C@H](NC(=O)c1cc(F)cc2nc[nH]c21)C1CC1 ZINC000776632124 601529521 /nfs/dbraw/zinc/52/95/21/601529521.db2.gz AJCZIXDAIWCJEG-JTQLQIEISA-N -1 1 291.282 1.685 20 0 CDADMM CN(C)Cc1ccsc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000830624084 601558465 /nfs/dbraw/zinc/55/84/65/601558465.db2.gz SHIKXODMWAMTOC-LLVKDONJSA-N -1 1 296.392 1.747 20 0 CDADMM C[C@@H]1CCC[C@@H](C)N1C(=O)CN[C@@H](C(=O)[O-])C(C)(C)C ZINC000828239613 601602416 /nfs/dbraw/zinc/60/24/16/601602416.db2.gz PCRCDFQOACWFIK-WZRBSPASSA-N -1 1 284.400 1.865 20 0 CDADMM COC(=O)C1CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000831114000 601614166 /nfs/dbraw/zinc/61/41/66/601614166.db2.gz LQKXKXIXFOELHA-UHFFFAOYSA-N -1 1 295.310 1.909 20 0 CDADMM CN1CCC[C@@H]1C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000830935106 601699790 /nfs/dbraw/zinc/69/97/90/601699790.db2.gz PGZJLMXXCCHLFC-NEPJUHHUSA-N -1 1 296.754 1.676 20 0 CDADMM CCC(CC)[S@](=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825107893 607528978 /nfs/dbraw/zinc/52/89/78/607528978.db2.gz SJWYGEVJMFXSGW-LJQANCHMSA-N -1 1 279.369 1.699 20 0 CDADMM CCC(CC)[S@](=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825107893 607528979 /nfs/dbraw/zinc/52/89/79/607528979.db2.gz SJWYGEVJMFXSGW-LJQANCHMSA-N -1 1 279.369 1.699 20 0 CDADMM Nc1cc(N)nc(SCc2ccc(C(=O)[O-])s2)n1 ZINC000109600708 601844736 /nfs/dbraw/zinc/84/47/36/601844736.db2.gz MEGVRYPQTJEVBI-UHFFFAOYSA-N -1 1 282.350 1.693 20 0 CDADMM O=S(=O)(Cc1ccnc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000826486436 607531278 /nfs/dbraw/zinc/53/12/78/607531278.db2.gz CKZWEWJASKALPL-UHFFFAOYSA-N -1 1 293.352 1.119 20 0 CDADMM O=S(=O)(Cc1ccnc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000826486436 607531280 /nfs/dbraw/zinc/53/12/80/607531280.db2.gz CKZWEWJASKALPL-UHFFFAOYSA-N -1 1 293.352 1.119 20 0 CDADMM C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH]ncc32)C[C@@H]1C(=O)[O-] ZINC000828326322 602020770 /nfs/dbraw/zinc/02/07/70/602020770.db2.gz PTKYUSIPQQOIMB-YWVKMMECSA-N -1 1 277.324 1.009 20 0 CDADMM COC(C)(C)CN(C)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000831484640 602246706 /nfs/dbraw/zinc/24/67/06/602246706.db2.gz OYEXSIQDKBIQJQ-UHFFFAOYSA-N -1 1 294.351 1.680 20 0 CDADMM CCN1CCN(CC(=O)Nc2cc(C(=O)[O-])cs2)CC1 ZINC000829776153 604314471 /nfs/dbraw/zinc/31/44/71/604314471.db2.gz ITFFRBGRZJCOHV-UHFFFAOYSA-N -1 1 297.380 1.022 20 0 CDADMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cn1 ZINC000164604391 604403589 /nfs/dbraw/zinc/40/35/89/604403589.db2.gz ZBWUXCSIMFMWAQ-UHFFFAOYSA-N -1 1 295.320 1.228 20 0 CDADMM CCOC(=O)c1nc(CNC(C)(C)CC(=O)[O-])cs1 ZINC000829895327 604442354 /nfs/dbraw/zinc/44/23/54/604442354.db2.gz OMOSNRHRXBSJBU-UHFFFAOYSA-N -1 1 286.353 1.663 20 0 CDADMM Cc1c(CN2CCSC[C@@H]2CC(=O)[O-])cnn1C ZINC000093652931 604479196 /nfs/dbraw/zinc/47/91/96/604479196.db2.gz JGTUAZOYKIGZMV-NSHDSACASA-N -1 1 269.370 1.121 20 0 CDADMM CCC[C@H](C(=O)Nc1nc(C)c(C(=O)[O-])s1)N(C)C ZINC000833647357 604536344 /nfs/dbraw/zinc/53/63/44/604536344.db2.gz CSTQXXPFOOPVHE-MRVPVSSYSA-N -1 1 285.369 1.819 20 0 CDADMM CCC[C@@H](C(=O)Nc1nc(C)c(C(=O)[O-])s1)N(C)C ZINC000833647358 604536640 /nfs/dbraw/zinc/53/66/40/604536640.db2.gz CSTQXXPFOOPVHE-QMMMGPOBSA-N -1 1 285.369 1.819 20 0 CDADMM CC(C)C(=O)N[C@H]1CCCN(Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC000833462915 604619749 /nfs/dbraw/zinc/61/97/49/604619749.db2.gz ILPQIEAOWNJSEV-LBPRGKRZSA-N -1 1 293.367 1.450 20 0 CDADMM CCCN(C)CC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000829458205 604736692 /nfs/dbraw/zinc/73/66/92/604736692.db2.gz KQUPOEJFHHUQLB-UHFFFAOYSA-N -1 1 285.369 1.441 20 0 CDADMM C[C@@H]1[C@H](C)N(C)CCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000833588879 604838883 /nfs/dbraw/zinc/83/88/83/604838883.db2.gz SLKNXAUPKBXJPO-WDEREUQCSA-N -1 1 291.351 1.941 20 0 CDADMM C[C@H]1CN([C@H](C(=O)[O-])c2ccccc2F)CCN1C ZINC000833624367 604934428 /nfs/dbraw/zinc/93/44/28/604934428.db2.gz QLAZRPYPOBTHPC-GWCFXTLKSA-N -1 1 266.316 1.587 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)n1 ZINC000833747103 604951688 /nfs/dbraw/zinc/95/16/88/604951688.db2.gz QRPVBMOJOOEIFZ-NSHDSACASA-N -1 1 293.367 1.813 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)n1 ZINC000833747103 604951690 /nfs/dbraw/zinc/95/16/90/604951690.db2.gz QRPVBMOJOOEIFZ-NSHDSACASA-N -1 1 293.367 1.813 20 0 CDADMM CCc1oc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1C ZINC000833678992 605081317 /nfs/dbraw/zinc/08/13/17/605081317.db2.gz UARWYKITILSIIC-JTQLQIEISA-N -1 1 291.307 1.299 20 0 CDADMM C[C@@H]1CC/C(=C/C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)C1 ZINC000833602533 605105454 /nfs/dbraw/zinc/10/54/54/605105454.db2.gz RCMOKXLRAGRJST-IJEMZBSNSA-N -1 1 294.395 1.740 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(C1CC1)C1CC1 ZINC000833621875 605160588 /nfs/dbraw/zinc/16/05/88/605160588.db2.gz OMBNTXSMBVSTOF-LLVKDONJSA-N -1 1 294.395 1.430 20 0 CDADMM C[C@@H](O)C[C@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000824697436 607737920 /nfs/dbraw/zinc/73/79/20/607737920.db2.gz CQKXLDXCGNQYEN-NXEZZACHSA-N -1 1 274.328 1.001 20 0 CDADMM C[C@@H](O)C[C@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000824697436 607737921 /nfs/dbraw/zinc/73/79/21/607737921.db2.gz CQKXLDXCGNQYEN-NXEZZACHSA-N -1 1 274.328 1.001 20 0 CDADMM CCN1C[C@@H](C)N(C(=O)CC(C)(C)CC(=O)[O-])C[C@H]1C ZINC000833658024 605267360 /nfs/dbraw/zinc/26/73/60/605267360.db2.gz PVCOYOFRYIZYSV-VXGBXAGGSA-N -1 1 284.400 1.819 20 0 CDADMM C[C@H]1CN(Cc2ccc(Cl)cn2)C[C@H]1C(=O)[O-] ZINC000703870209 605349940 /nfs/dbraw/zinc/34/99/40/605349940.db2.gz YZIIWOMPBLXYJV-GZMMTYOYSA-N -1 1 254.717 1.888 20 0 CDADMM CC[C@H](C)[C@H](C)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820864149 606155004 /nfs/dbraw/zinc/15/50/04/606155004.db2.gz WYEKWQVXBUJOOC-YUMQZZPRSA-N -1 1 292.347 1.156 20 0 CDADMM CC[C@H](C)[C@H](C)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820864149 606155006 /nfs/dbraw/zinc/15/50/06/606155006.db2.gz WYEKWQVXBUJOOC-YUMQZZPRSA-N -1 1 292.347 1.156 20 0 CDADMM C[C@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000820717315 606417822 /nfs/dbraw/zinc/41/78/22/606417822.db2.gz POAZIRXMYAOALW-YFKPBYRVSA-N -1 1 270.749 1.965 20 0 CDADMM C[C@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000820717315 606417825 /nfs/dbraw/zinc/41/78/25/606417825.db2.gz POAZIRXMYAOALW-YFKPBYRVSA-N -1 1 270.749 1.965 20 0 CDADMM c1[nH]nc2cc(Oc3nccnc3-c3nn[n-]n3)ccc12 ZINC000823810486 606439152 /nfs/dbraw/zinc/43/91/52/606439152.db2.gz YRAOOOQTACHMDK-UHFFFAOYSA-N -1 1 280.251 1.325 20 0 CDADMM CCn1cc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cn1 ZINC000821566651 606456900 /nfs/dbraw/zinc/45/69/00/606456900.db2.gz NWSZMQWLHCQVPM-UHFFFAOYSA-N -1 1 290.718 1.875 20 0 CDADMM CCn1cc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cn1 ZINC000821566651 606456901 /nfs/dbraw/zinc/45/69/01/606456901.db2.gz NWSZMQWLHCQVPM-UHFFFAOYSA-N -1 1 290.718 1.875 20 0 CDADMM Clc1nsc(NC2CCOCC2)c1-c1nnn[n-]1 ZINC000822591802 606465736 /nfs/dbraw/zinc/46/57/36/606465736.db2.gz WPUZWXNPVYJTCR-UHFFFAOYSA-N -1 1 286.748 1.568 20 0 CDADMM Clc1nsc(NC2CCOCC2)c1-c1nn[n-]n1 ZINC000822591802 606465737 /nfs/dbraw/zinc/46/57/37/606465737.db2.gz WPUZWXNPVYJTCR-UHFFFAOYSA-N -1 1 286.748 1.568 20 0 CDADMM CC(C)CN(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820081749 606506550 /nfs/dbraw/zinc/50/65/50/606506550.db2.gz UDZFIGNLBOQSFF-UHFFFAOYSA-N -1 1 265.342 1.656 20 0 CDADMM CC(C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820081749 606506551 /nfs/dbraw/zinc/50/65/51/606506551.db2.gz UDZFIGNLBOQSFF-UHFFFAOYSA-N -1 1 265.342 1.656 20 0 CDADMM O=C(NCCC1CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823181949 606576421 /nfs/dbraw/zinc/57/64/21/606576421.db2.gz GCVYIXHZCRLJRB-UHFFFAOYSA-N -1 1 263.326 1.458 20 0 CDADMM O=C(NCCC1CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823181949 606576423 /nfs/dbraw/zinc/57/64/23/606576423.db2.gz GCVYIXHZCRLJRB-UHFFFAOYSA-N -1 1 263.326 1.458 20 0 CDADMM CO[C@@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)n2)C1(C)C ZINC000821678585 606609496 /nfs/dbraw/zinc/60/94/96/606609496.db2.gz PPSOIUZFFBVTBB-VHSXEESVSA-N -1 1 274.328 1.487 20 0 CDADMM CO[C@@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)n2)C1(C)C ZINC000821678585 606609497 /nfs/dbraw/zinc/60/94/97/606609497.db2.gz PPSOIUZFFBVTBB-VHSXEESVSA-N -1 1 274.328 1.487 20 0 CDADMM O=C(/C=C\C1CC1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822922338 606648212 /nfs/dbraw/zinc/64/82/12/606648212.db2.gz FQFLMUHDYGNACI-ARJAWSKDSA-N -1 1 271.280 1.271 20 0 CDADMM O=C(/C=C\C1CC1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822922338 606648213 /nfs/dbraw/zinc/64/82/13/606648213.db2.gz FQFLMUHDYGNACI-ARJAWSKDSA-N -1 1 271.280 1.271 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1C1CC1 ZINC000823436493 606649912 /nfs/dbraw/zinc/64/99/12/606649912.db2.gz XZDFMAMHQBXFEY-WDEREUQCSA-N -1 1 285.307 1.351 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1C1CC1 ZINC000823436493 606649913 /nfs/dbraw/zinc/64/99/13/606649913.db2.gz XZDFMAMHQBXFEY-WDEREUQCSA-N -1 1 285.307 1.351 20 0 CDADMM CC[C@@](C)(CCO)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820852374 606791674 /nfs/dbraw/zinc/79/16/74/606791674.db2.gz AFHLMYVGSOTKNR-LBPRGKRZSA-N -1 1 296.762 1.878 20 0 CDADMM CC[C@@](C)(CCO)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820852374 606791676 /nfs/dbraw/zinc/79/16/76/606791676.db2.gz AFHLMYVGSOTKNR-LBPRGKRZSA-N -1 1 296.762 1.878 20 0 CDADMM O=C(OC[C@H]1CCSC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823401588 606802375 /nfs/dbraw/zinc/80/23/75/606802375.db2.gz XRQQWXMHAOGKAQ-SSDOTTSWSA-N -1 1 296.377 1.838 20 0 CDADMM O=C(OC[C@H]1CCSC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823401588 606802377 /nfs/dbraw/zinc/80/23/77/606802377.db2.gz XRQQWXMHAOGKAQ-SSDOTTSWSA-N -1 1 296.377 1.838 20 0 CDADMM C[C@@H]1CC[C@H](C)N1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820684107 606907305 /nfs/dbraw/zinc/90/73/05/606907305.db2.gz MDQLECVBMBNBRO-OCAPTIKFSA-N -1 1 290.331 1.005 20 0 CDADMM C[C@@H]1CC[C@H](C)N1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820684107 606907307 /nfs/dbraw/zinc/90/73/07/606907307.db2.gz MDQLECVBMBNBRO-OCAPTIKFSA-N -1 1 290.331 1.005 20 0 CDADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1CCOC1 ZINC000824663407 607900569 /nfs/dbraw/zinc/90/05/69/607900569.db2.gz ZCTYQDPBKCGRHZ-DTWKUNHWSA-N -1 1 260.301 1.099 20 0 CDADMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1cn[nH]c1 ZINC000824658331 607935294 /nfs/dbraw/zinc/93/52/94/607935294.db2.gz VZZGAOUPQGCWGW-ZCFIWIBFSA-N -1 1 290.718 1.811 20 0 CDADMM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1cn[nH]c1 ZINC000824658331 607935295 /nfs/dbraw/zinc/93/52/95/607935295.db2.gz VZZGAOUPQGCWGW-ZCFIWIBFSA-N -1 1 290.718 1.811 20 0 CDADMM CC(C)CCc1noc(Cn2ccnc2-c2nnn[n-]2)n1 ZINC000824249196 608012493 /nfs/dbraw/zinc/01/24/93/608012493.db2.gz KIVHLULTJJVOTH-UHFFFAOYSA-N -1 1 288.315 1.083 20 0 CDADMM CC(C)CCc1noc(Cn2ccnc2-c2nn[n-]n2)n1 ZINC000824249196 608012494 /nfs/dbraw/zinc/01/24/94/608012494.db2.gz KIVHLULTJJVOTH-UHFFFAOYSA-N -1 1 288.315 1.083 20 0 CDADMM c1cn(Cc2cnn(-c3ccccc3)c2)c(-c2nnn[n-]2)n1 ZINC000826519871 608147920 /nfs/dbraw/zinc/14/79/20/608147920.db2.gz RRDWCWXXUSGAKU-UHFFFAOYSA-N -1 1 292.306 1.297 20 0 CDADMM c1cn(Cc2cnn(-c3ccccc3)c2)c(-c2nn[n-]n2)n1 ZINC000826519871 608147921 /nfs/dbraw/zinc/14/79/21/608147921.db2.gz RRDWCWXXUSGAKU-UHFFFAOYSA-N -1 1 292.306 1.297 20 0 CDADMM C[C@@]1(Nc2snc(Cl)c2-c2nnn[n-]2)CCOC1 ZINC000824838640 608191732 /nfs/dbraw/zinc/19/17/32/608191732.db2.gz SDXFHEOAMXBKOD-SECBINFHSA-N -1 1 286.748 1.568 20 0 CDADMM C[C@@]1(Nc2snc(Cl)c2-c2nn[n-]n2)CCOC1 ZINC000824838640 608191733 /nfs/dbraw/zinc/19/17/33/608191733.db2.gz SDXFHEOAMXBKOD-SECBINFHSA-N -1 1 286.748 1.568 20 0 CDADMM O=C(NN1CCCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000826443803 608205485 /nfs/dbraw/zinc/20/54/85/608205485.db2.gz DXHMJUJRGPXEFM-UHFFFAOYSA-N -1 1 278.341 1.059 20 0 CDADMM O=C(NN1CCCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000826443803 608205486 /nfs/dbraw/zinc/20/54/86/608205486.db2.gz DXHMJUJRGPXEFM-UHFFFAOYSA-N -1 1 278.341 1.059 20 0 CDADMM CC1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000824906430 608402751 /nfs/dbraw/zinc/40/27/51/608402751.db2.gz BKQXLFUXFWSGNX-UHFFFAOYSA-N -1 1 273.344 1.895 20 0 CDADMM CC1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000824906430 608402752 /nfs/dbraw/zinc/40/27/52/608402752.db2.gz BKQXLFUXFWSGNX-UHFFFAOYSA-N -1 1 273.344 1.895 20 0 CDADMM C[C@H]1c2ccccc2CN1c1ccc(-c2nnn[n-]2)nn1 ZINC000825029762 608427084 /nfs/dbraw/zinc/42/70/84/608427084.db2.gz ZDDIKFLVOZJLID-VIFPVBQESA-N -1 1 279.307 1.738 20 0 CDADMM C[C@H]1c2ccccc2CN1c1ccc(-c2nn[n-]n2)nn1 ZINC000825029762 608427086 /nfs/dbraw/zinc/42/70/86/608427086.db2.gz ZDDIKFLVOZJLID-VIFPVBQESA-N -1 1 279.307 1.738 20 0 CDADMM CS[C@@H]1CCCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826227011 608435720 /nfs/dbraw/zinc/43/57/20/608435720.db2.gz KDOFXIXQRSVWJI-SECBINFHSA-N -1 1 291.384 1.379 20 0 CDADMM CS[C@@H]1CCCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826227011 608435722 /nfs/dbraw/zinc/43/57/22/608435722.db2.gz KDOFXIXQRSVWJI-SECBINFHSA-N -1 1 291.384 1.379 20 0 CDADMM O=C([N-][C@@H]1COC[C@H]1C1CC1)C(F)(F)C(F)F ZINC000891057771 617357921 /nfs/dbraw/zinc/35/79/21/617357921.db2.gz OSJNXEMAKSRGJH-NKWVEPMBSA-N -1 1 255.211 1.428 20 0 CDADMM O=C(N[C@H]1COC[C@@H]1C1CC1)c1cnc(C2CC2)[n-]c1=O ZINC000891035477 617354182 /nfs/dbraw/zinc/35/41/82/617354182.db2.gz UMCPGLCEBZSZMU-NEPJUHHUSA-N -1 1 289.335 1.214 20 0 CDADMM O=S(=O)([N-]CCC1CC1)c1nc[nH]c1Br ZINC000866886313 617425498 /nfs/dbraw/zinc/42/54/98/617425498.db2.gz VYVFTEUBEJHVSW-UHFFFAOYSA-N -1 1 294.174 1.251 20 0 CDADMM CC(C)C(=O)N[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC000966351117 613958527 /nfs/dbraw/zinc/95/85/27/613958527.db2.gz RPUYVSAAKOHBDE-MNOVXSKESA-N -1 1 291.351 1.020 20 0 CDADMM CC(C)CC(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000940124989 614000200 /nfs/dbraw/zinc/00/02/00/614000200.db2.gz AQSTYPQSFKDWAH-LLVKDONJSA-N -1 1 291.351 1.164 20 0 CDADMM C[C@@]1(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CCCCO1 ZINC000891613502 617504584 /nfs/dbraw/zinc/50/45/84/617504584.db2.gz IFWNXLZRJWVZGM-HNNXBMFYSA-N -1 1 291.351 1.959 20 0 CDADMM O=C(COC1CC1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891614180 617504447 /nfs/dbraw/zinc/50/44/47/617504447.db2.gz LOXVUHYDAJHENH-UHFFFAOYSA-N -1 1 263.297 1.179 20 0 CDADMM CC(C)(F)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891623267 617509513 /nfs/dbraw/zinc/50/95/13/617509513.db2.gz UWMLJZFIKQJJLM-UHFFFAOYSA-N -1 1 253.277 1.748 20 0 CDADMM COCc1nc(NCCCn2cccn2)cc(=O)[n-]1 ZINC000891744115 617564515 /nfs/dbraw/zinc/56/45/15/617564515.db2.gz YHKMQNZVISAPHZ-UHFFFAOYSA-N -1 1 263.301 1.027 20 0 CDADMM COCc1nc(N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc(=O)[n-]1 ZINC000892657813 617565659 /nfs/dbraw/zinc/56/56/59/617565659.db2.gz BOPWAWORZVDBEH-ZEGGKSINSA-N -1 1 279.340 1.554 20 0 CDADMM CC(C)c1ccccc1OCCC(=O)N(C)c1nn[n-]n1 ZINC000892954516 617977619 /nfs/dbraw/zinc/97/76/19/617977619.db2.gz KFVORZVAXJDJPM-UHFFFAOYSA-N -1 1 289.339 1.755 20 0 CDADMM CC[C@@H]1CCCC[C@H]1OCC(=O)N(C)c1nn[n-]n1 ZINC000892954530 617977904 /nfs/dbraw/zinc/97/79/04/617977904.db2.gz LATIGVDXTPUXBZ-NXEZZACHSA-N -1 1 267.333 1.148 20 0 CDADMM COCc1nc(NCc2cncc(C)c2)cc(=O)[n-]1 ZINC000893022543 618068857 /nfs/dbraw/zinc/06/88/57/618068857.db2.gz MCHBFCBVKJDGLU-UHFFFAOYSA-N -1 1 260.297 1.644 20 0 CDADMM COC(=O)c1ccc(C(=O)OCCc2ccns2)[n-]1 ZINC000893373518 617727956 /nfs/dbraw/zinc/72/79/56/617727956.db2.gz ZGILPYIYOPWBQH-UHFFFAOYSA-N -1 1 280.305 1.657 20 0 CDADMM C[N@@H+](CCC(=O)[O-])CC(=O)N[C@H]1CCOc2ccccc21 ZINC000737991342 617908295 /nfs/dbraw/zinc/90/82/95/617908295.db2.gz DDOHSPVIKDPAAP-LBPRGKRZSA-N -1 1 292.335 1.033 20 0 CDADMM CN(CCC(=O)[O-])CC(=O)N[C@H]1CCOc2ccccc21 ZINC000737991342 617908300 /nfs/dbraw/zinc/90/83/00/617908300.db2.gz DDOHSPVIKDPAAP-LBPRGKRZSA-N -1 1 292.335 1.033 20 0 CDADMM CC[C@H](C)n1ncc(C(=O)N(C)c2nn[n-]n2)c1C1CC1 ZINC000892954074 617974330 /nfs/dbraw/zinc/97/43/30/617974330.db2.gz CBDKXDXOYSZKNM-QMMMGPOBSA-N -1 1 289.343 1.521 20 0 CDADMM CCC(CC)(CNC(=O)CCc1cnc[nH]1)C(=O)[O-] ZINC000909383391 618043955 /nfs/dbraw/zinc/04/39/55/618043955.db2.gz SLMHLYDQTTYAEA-UHFFFAOYSA-N -1 1 267.329 1.350 20 0 CDADMM COCc1nc(NC[C@@](C)(OC)C2CC2)cc(=O)[n-]1 ZINC000893926387 618184985 /nfs/dbraw/zinc/18/49/85/618184985.db2.gz RQHBNYMVOVWUME-CYBMUJFWSA-N -1 1 267.329 1.556 20 0 CDADMM CCn1nncc1CN[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000901846534 618308828 /nfs/dbraw/zinc/30/88/28/618308828.db2.gz KCXJRJJAGVAQPC-CYBMUJFWSA-N -1 1 292.314 1.661 20 0 CDADMM COc1ccc(CN2CC[C@@](O)(C(=O)[O-])C2)c(Cl)c1 ZINC000901903169 618356114 /nfs/dbraw/zinc/35/61/14/618356114.db2.gz RBIWXXBGTWDYRS-ZDUSSCGKSA-N -1 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ZINC000913742876 630741925 /nfs/dbraw/zinc/74/19/25/630741925.db2.gz ZLBCHRQNQMEVAU-SSDOTTSWSA-N -1 1 290.154 1.100 20 0 CDADMM O=C(N1CCC(c2nn[n-]n2)CC1)C1(F)CCCCC1 ZINC000913744861 630743091 /nfs/dbraw/zinc/74/30/91/630743091.db2.gz HWFBAEUYTGXSRD-UHFFFAOYSA-N -1 1 281.335 1.578 20 0 CDADMM C[C@H]1CC[C@@H](C(=O)N2CCC(c3nn[n-]n3)CC2)C1 ZINC000913744432 630743291 /nfs/dbraw/zinc/74/32/91/630743291.db2.gz OBVJYYBFFKRSIG-GXSJLCMTSA-N -1 1 263.345 1.342 20 0 CDADMM CC(C)[C@H](CO)O[N-]C(=O)Cc1ccc(F)cc1F ZINC000836891974 631751931 /nfs/dbraw/zinc/75/19/31/631751931.db2.gz PJKXZEQDKSGDOP-LBPRGKRZSA-N -1 1 273.279 1.572 20 0 CDADMM C[C@H]1COC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000921499101 633017042 /nfs/dbraw/zinc/01/70/42/633017042.db2.gz RXJKMISXXVMYLV-BQBZGAKWSA-N -1 1 281.280 1.530 20 0 CDADMM Cc1ccccc1[C@@H](C)C(=O)[N-]OC(C)(C)CO ZINC000821231270 633139132 /nfs/dbraw/zinc/13/91/32/633139132.db2.gz AANVBQSSMOOILG-LLVKDONJSA-N -1 1 251.326 1.917 20 0 CDADMM Cc1ncc(Cl)nc1Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001170213985 1162302180 /nfs/dbraw/zinc/30/21/80/1162302180.db2.gz VRGVUHOORGKIOL-UHFFFAOYSA-N -1 1 293.674 1.211 20 0 CDADMM CN1Cc2c(cccc2Nc2[n-]c(=O)nc3nc[nH]c32)C1=O ZINC001170227267 1162316830 /nfs/dbraw/zinc/31/68/30/1162316830.db2.gz JJHRCHQLWBOUMN-UHFFFAOYSA-N -1 1 296.290 1.388 20 0 CDADMM CC(C)n1cc(Nc2[n-]c(=O)nc3nc[nH]c32)cn1 ZINC001170227870 1162317461 /nfs/dbraw/zinc/31/74/61/1162317461.db2.gz WROIOUFIYQJZQT-UHFFFAOYSA-N -1 1 259.273 1.580 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2cc3[nH]ccc3nn2)[n-]1 ZINC001170227806 1162318115 /nfs/dbraw/zinc/31/81/15/1162318115.db2.gz UUEYFODDBLTSBC-UHFFFAOYSA-N -1 1 268.240 1.073 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1sccc1-n1ccnn1 ZINC001648816505 1158577224 /nfs/dbraw/zinc/57/72/24/1158577224.db2.gz XKLNFDAUKJFPOJ-UHFFFAOYSA-N -1 1 276.281 1.010 20 0 CDADMM C[C@@H]1C[C@H](C)[C@H](C(=O)OCC(=O)c2ccc([O-])cc2O)O1 ZINC001771690308 1159108845 /nfs/dbraw/zinc/10/88/45/1159108845.db2.gz RJPLZAVQBOKUNI-ATEUNZGCSA-N -1 1 294.303 1.637 20 0 CDADMM CC[S@@](C)(=O)=NC(=O)c1nc[n-]c1C(F)(F)F ZINC000925819182 1159796629 /nfs/dbraw/zinc/79/66/29/1159796629.db2.gz GSUMNRBNBPQRCL-QGZVFWFLSA-N -1 1 269.248 1.686 20 0 CDADMM CCCC[C@](C)(CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001604160421 1163111447 /nfs/dbraw/zinc/11/14/47/1163111447.db2.gz FUTDHDONJNBAPK-GFCCVEGCSA-N -1 1 277.332 1.010 20 0 CDADMM CCCC[C@](C)(CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001604160421 1163111451 /nfs/dbraw/zinc/11/14/51/1163111451.db2.gz FUTDHDONJNBAPK-GFCCVEGCSA-N -1 1 277.332 1.010 20 0 CDADMM CCCCCC(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001604169386 1163114216 /nfs/dbraw/zinc/11/42/16/1163114216.db2.gz QEQAQCXVUTWZLW-UHFFFAOYSA-N -1 1 277.332 1.427 20 0 CDADMM CCCCCC(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001604169386 1163114218 /nfs/dbraw/zinc/11/42/18/1163114218.db2.gz QEQAQCXVUTWZLW-UHFFFAOYSA-N -1 1 277.332 1.427 20 0 CDADMM C[C@H](C[N@@H+](C)[C@H](C(=O)[O-])c1ccc(F)cc1)C(=O)[O-] ZINC001604158163 1163110857 /nfs/dbraw/zinc/11/08/57/1163110857.db2.gz HNAAJWAAEWNARH-KCJUWKMLSA-N -1 1 269.272 1.604 20 0 CDADMM CCCN(CCC)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001604205128 1163124479 /nfs/dbraw/zinc/12/44/79/1163124479.db2.gz WJFDACOHWNMQJB-UHFFFAOYSA-N -1 1 274.328 1.524 20 0 CDADMM CCCN(CCC)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001604205128 1163124484 /nfs/dbraw/zinc/12/44/84/1163124484.db2.gz WJFDACOHWNMQJB-UHFFFAOYSA-N -1 1 274.328 1.524 20 0 CDADMM Cc1cccc(CNC(=O)N=c2ccnc3n(C)[n-]cc2-3)c1 ZINC000791091772 1162191479 /nfs/dbraw/zinc/19/14/79/1162191479.db2.gz XRISASPHYDKLMU-UHFFFAOYSA-N -1 1 295.346 1.972 20 0 CDADMM C[C@@H](c1cccnc1)[N@@H+](CCC(=O)[O-])CC(=O)[O-] ZINC001604473972 1163194405 /nfs/dbraw/zinc/19/44/05/1163194405.db2.gz ONSVFKBSQRLELC-VIFPVBQESA-N -1 1 252.270 1.004 20 0 CDADMM C[C@H](c1nc(C(=O)[O-])co1)N1CC[C@@H](C2OCCO2)C1 ZINC001604476798 1163196459 /nfs/dbraw/zinc/19/64/59/1163196459.db2.gz GETBDZASESKJLJ-RKDXNWHRSA-N -1 1 282.296 1.129 20 0 CDADMM CCc1nc(N[C@H](CC)C[C@H](C)O)cc(-c2nnn[n-]2)n1 ZINC001604556215 1163229111 /nfs/dbraw/zinc/22/91/11/1163229111.db2.gz STXHZBRGPJXIEP-DTWKUNHWSA-N -1 1 291.359 1.181 20 0 CDADMM CCc1nc(N[C@H](CC)C[C@H](C)O)cc(-c2nn[n-]n2)n1 ZINC001604556215 1163229115 /nfs/dbraw/zinc/22/91/15/1163229115.db2.gz STXHZBRGPJXIEP-DTWKUNHWSA-N -1 1 291.359 1.181 20 0 CDADMM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@H]2N1Cc1cncc(F)c1 ZINC001604713511 1163293127 /nfs/dbraw/zinc/29/31/27/1163293127.db2.gz KKDCILPGGAXJTQ-QQUHWDOBSA-N -1 1 294.326 1.816 20 0 CDADMM CN(CC1CC1)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001604728305 1163299629 /nfs/dbraw/zinc/29/96/29/1163299629.db2.gz IQVBPHKQUYZPCE-UHFFFAOYSA-N -1 1 273.300 1.135 20 0 CDADMM CN(CC1CC1)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001604728305 1163299637 /nfs/dbraw/zinc/29/96/37/1163299637.db2.gz IQVBPHKQUYZPCE-UHFFFAOYSA-N -1 1 273.300 1.135 20 0 CDADMM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1CC(=O)[O-] ZINC001604767599 1163317609 /nfs/dbraw/zinc/31/76/09/1163317609.db2.gz DSQXYZAIRCFSOT-NXEZZACHSA-N -1 1 256.346 1.038 20 0 CDADMM CCC(=O)N1CC[C@@H](NCc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC001604860821 1163355746 /nfs/dbraw/zinc/35/57/46/1163355746.db2.gz WPUMVUTWDLQRME-ISALQUGTSA-N -1 1 292.335 1.478 20 0 CDADMM CC[C@H](NC(=O)[C@H](N)Cc1ccc2cc[nH]c2c1)C(=O)[O-] ZINC001605071019 1163441196 /nfs/dbraw/zinc/44/11/96/1163441196.db2.gz PSJXESPJAWZDOJ-NEPJUHHUSA-N -1 1 289.335 1.017 20 0 CDADMM COc1ccc2c(c1)CN(c1ccnc(-c3nnn[n-]3)c1)C2 ZINC001605308893 1163520720 /nfs/dbraw/zinc/52/07/20/1163520720.db2.gz QIELLHOUCIPHAV-UHFFFAOYSA-N -1 1 294.318 1.791 20 0 CDADMM COc1ccc2c(c1)CN(c1ccnc(-c3nn[n-]n3)c1)C2 ZINC001605308893 1163520726 /nfs/dbraw/zinc/52/07/26/1163520726.db2.gz QIELLHOUCIPHAV-UHFFFAOYSA-N -1 1 294.318 1.791 20 0 CDADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1ncncc1-c1nn[n-]n1 ZINC001605426552 1163560155 /nfs/dbraw/zinc/56/01/55/1163560155.db2.gz RJWYMJMMYJQOMF-BDNRQGISSA-N -1 1 257.301 1.113 20 0 CDADMM CCNC(=O)C(C)(C)CNCc1ncc(C(=O)[O-])s1 ZINC001605487389 1163583817 /nfs/dbraw/zinc/58/38/17/1163583817.db2.gz LELZTAVYWMTMMU-UHFFFAOYSA-N -1 1 285.369 1.093 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCC[C@@H](F)C2)n1 ZINC001605573239 1163613170 /nfs/dbraw/zinc/61/31/70/1163613170.db2.gz WCYVQKVBYOZCNZ-RKDXNWHRSA-N -1 1 277.307 1.658 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCC[C@@H](F)C2)n1 ZINC001605573239 1163613171 /nfs/dbraw/zinc/61/31/71/1163613171.db2.gz WCYVQKVBYOZCNZ-RKDXNWHRSA-N -1 1 277.307 1.658 20 0 CDADMM CCOc1nnc(CN[C@@H](CC(=O)[O-])C(C)(C)C)s1 ZINC001605722171 1163652062 /nfs/dbraw/zinc/65/20/62/1163652062.db2.gz LZDVDTVMPQAWFU-QMMMGPOBSA-N -1 1 287.385 1.916 20 0 CDADMM COC[C@H](C)[C@@H](C)C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000812623421 1163666156 /nfs/dbraw/zinc/66/61/56/1163666156.db2.gz DRLPUSJLLJJKHL-DTWKUNHWSA-N -1 1 299.289 1.517 20 0 CDADMM CCc1nc(COC(=O)Cc2cccc(C(=O)[O-])c2)n[nH]1 ZINC001605853337 1163690377 /nfs/dbraw/zinc/69/03/77/1163690377.db2.gz ZHZLOOLWMJHIPW-UHFFFAOYSA-N -1 1 289.291 1.351 20 0 CDADMM Cc1ccc(CNC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001605854459 1163691390 /nfs/dbraw/zinc/69/13/90/1163691390.db2.gz MBZJZIJBPQNNTH-UHFFFAOYSA-N -1 1 283.291 1.698 20 0 CDADMM Cc1ccc(CNC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001605854459 1163691395 /nfs/dbraw/zinc/69/13/95/1163691395.db2.gz MBZJZIJBPQNNTH-UHFFFAOYSA-N -1 1 283.291 1.698 20 0 CDADMM Cc1ccc(N2[C@@H](C)CC[C@@H]2C)nc1-c1nnn[n-]1 ZINC001605864541 1163695629 /nfs/dbraw/zinc/69/56/29/1163695629.db2.gz HXANLTJHQLIISO-UWVGGRQHSA-N -1 1 258.329 1.947 20 0 CDADMM Cc1ccc(N2[C@@H](C)CC[C@@H]2C)nc1-c1nn[n-]n1 ZINC001605864541 1163695632 /nfs/dbraw/zinc/69/56/32/1163695632.db2.gz HXANLTJHQLIISO-UWVGGRQHSA-N -1 1 258.329 1.947 20 0 CDADMM Cc1ccc(N[C@H](C)Cn2cccn2)c(-c2nnn[n-]2)n1 ZINC001605872295 1163699731 /nfs/dbraw/zinc/69/97/31/1163699731.db2.gz UUPTVCMPRPTRKQ-SNVBAGLBSA-N -1 1 284.327 1.267 20 0 CDADMM Cc1ccc(N[C@H](C)Cn2cccn2)c(-c2nn[n-]n2)n1 ZINC001605872295 1163699734 /nfs/dbraw/zinc/69/97/34/1163699734.db2.gz UUPTVCMPRPTRKQ-SNVBAGLBSA-N 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ISTJSMDBIWXFOJ-VIFPVBQESA-N -1 1 296.338 1.403 20 0 CDADMM Cc1nc(N[C@@H](C)Cc2ccccn2)cc(-c2nn[n-]n2)n1 ZINC001606060355 1163758440 /nfs/dbraw/zinc/75/84/40/1163758440.db2.gz ISTJSMDBIWXFOJ-VIFPVBQESA-N -1 1 296.338 1.403 20 0 CDADMM CN(CC(=O)Nc1ccc(C(=O)[O-])s1)C1CCC1 ZINC001606082904 1163768163 /nfs/dbraw/zinc/76/81/63/1163768163.db2.gz OZHUWQAJQKIRMR-UHFFFAOYSA-N -1 1 268.338 1.869 20 0 CDADMM Cc1nsc(NC2CC(C)C2)c1-c1nn[n-]n1 ZINC001606153906 1163789540 /nfs/dbraw/zinc/78/95/40/1163789540.db2.gz VIUWBGXULURJQS-UHFFFAOYSA-N -1 1 250.331 1.842 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1C[C@H]1CC(C)C ZINC001606169129 1163796942 /nfs/dbraw/zinc/79/69/42/1163796942.db2.gz OFJJZJQLBRKQLX-MWLCHTKSSA-N -1 1 289.339 1.933 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1C[C@H]1CC(C)C ZINC001606169129 1163796950 /nfs/dbraw/zinc/79/69/50/1163796950.db2.gz OFJJZJQLBRKQLX-MWLCHTKSSA-N -1 1 289.339 1.933 20 0 CDADMM FC(F)C1(Nc2ccnc(-c3nnn[n-]3)c2)CCCC1 ZINC001606296206 1163841562 /nfs/dbraw/zinc/84/15/62/1163841562.db2.gz DJYYAVIGJXJDJW-UHFFFAOYSA-N -1 1 280.282 1.673 20 0 CDADMM FC(F)C1(Nc2ccnc(-c3nn[n-]n3)c2)CCCC1 ZINC001606296206 1163841569 /nfs/dbraw/zinc/84/15/69/1163841569.db2.gz DJYYAVIGJXJDJW-UHFFFAOYSA-N -1 1 280.282 1.673 20 0 CDADMM Fc1cc(CNc2cnccn2)cc(F)c1-c1nnn[n-]1 ZINC001606310561 1163854544 /nfs/dbraw/zinc/85/45/44/1163854544.db2.gz UQBUUFOZXNTVCG-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM Fc1cc(CNc2cnccn2)cc(F)c1-c1nn[n-]n1 ZINC001606310561 1163854553 /nfs/dbraw/zinc/85/45/53/1163854553.db2.gz UQBUUFOZXNTVCG-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM O=C(NC1(C2CC2)CCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001606641893 1163944956 /nfs/dbraw/zinc/94/49/56/1163944956.db2.gz ZJWJDGDXDJMEGT-UHFFFAOYSA-N -1 1 273.296 1.522 20 0 CDADMM O=C(NC1(C2CC2)CCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001606641893 1163944965 /nfs/dbraw/zinc/94/49/65/1163944965.db2.gz ZJWJDGDXDJMEGT-UHFFFAOYSA-N -1 1 273.296 1.522 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1C[C@H]1C1CCCC1 ZINC001606892577 1164024357 /nfs/dbraw/zinc/02/43/57/1164024357.db2.gz PLYGQSDVLROHSG-DTWKUNHWSA-N -1 1 287.327 1.355 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1C[C@H]1C1CCCC1 ZINC001606892577 1164024363 /nfs/dbraw/zinc/02/43/63/1164024363.db2.gz PLYGQSDVLROHSG-DTWKUNHWSA-N -1 1 287.327 1.355 20 0 CDADMM c1cc(N2CC[C@@H](C3CCC3)C2)nc(-c2nn[n-]n2)n1 ZINC001607119864 1164103295 /nfs/dbraw/zinc/10/32/95/1164103295.db2.gz KMGXZNLGGLARJE-SNVBAGLBSA-N -1 1 271.328 1.283 20 0 CDADMM c1cc(N[C@H]2CC23CCCCC3)nc(-c2nn[n-]n2)n1 ZINC001607120287 1164104156 /nfs/dbraw/zinc/10/41/56/1164104156.db2.gz YSBYAYZPNZWEIB-VIFPVBQESA-N -1 1 271.328 1.213 20 0 CDADMM c1cc(N2CC[C@@H]3CCCC[C@@H]3C2)nnc1-c1nnn[n-]1 ZINC001607119890 1164104331 /nfs/dbraw/zinc/10/43/31/1164104331.db2.gz LKIDKOVEIKPHBE-WDEREUQCSA-N -1 1 285.355 1.673 20 0 CDADMM c1cc(N2CC[C@@H]3CCCC[C@@H]3C2)nnc1-c1nn[n-]n1 ZINC001607119890 1164104335 /nfs/dbraw/zinc/10/43/35/1164104335.db2.gz LKIDKOVEIKPHBE-WDEREUQCSA-N -1 1 285.355 1.673 20 0 CDADMM c1ccc([C@@H]2CCN(c3cc(-c4nnn[n-]4)ncn3)C2)nc1 ZINC001607128203 1164107988 /nfs/dbraw/zinc/10/79/88/1164107988.db2.gz BJLGMJKNWHGRGA-SNVBAGLBSA-N -1 1 294.322 1.046 20 0 CDADMM c1ccc([C@@H]2CCN(c3cc(-c4nn[n-]n4)ncn3)C2)nc1 ZINC001607128203 1164107989 /nfs/dbraw/zinc/10/79/89/1164107989.db2.gz BJLGMJKNWHGRGA-SNVBAGLBSA-N -1 1 294.322 1.046 20 0 CDADMM c1ccc(OCCNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001607131164 1164111130 /nfs/dbraw/zinc/11/11/30/1164111130.db2.gz WKLSPUNEUBGRMD-UHFFFAOYSA-N -1 1 283.295 1.148 20 0 CDADMM c1ccc(OCCNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001607131164 1164111136 /nfs/dbraw/zinc/11/11/36/1164111136.db2.gz WKLSPUNEUBGRMD-UHFFFAOYSA-N -1 1 283.295 1.148 20 0 CDADMM c1ccn(CCNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001607133418 1164111980 /nfs/dbraw/zinc/11/19/80/1164111980.db2.gz ZHDOAVSNQNHEDH-UHFFFAOYSA-N -1 1 255.285 1.175 20 0 CDADMM c1ccn(CCNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001607133418 1164111983 /nfs/dbraw/zinc/11/19/83/1164111983.db2.gz ZHDOAVSNQNHEDH-UHFFFAOYSA-N -1 1 255.285 1.175 20 0 CDADMM c1csc(CCCNc2cc(-c3nnn[n-]3)ncn2)n1 ZINC001607137141 1164116677 /nfs/dbraw/zinc/11/66/77/1164116677.db2.gz JIQBOTXPFZDWKF-UHFFFAOYSA-N -1 1 288.340 1.158 20 0 CDADMM c1csc(CCCNc2cc(-c3nn[n-]n3)ncn2)n1 ZINC001607137141 1164116679 /nfs/dbraw/zinc/11/66/79/1164116679.db2.gz JIQBOTXPFZDWKF-UHFFFAOYSA-N -1 1 288.340 1.158 20 0 CDADMM c1nc(N2CCCC3(CCCC3)C2)cnc1-c1nnn[n-]1 ZINC001607137817 1164118493 /nfs/dbraw/zinc/11/84/93/1164118493.db2.gz ZTEWIHLZOHEHQE-UHFFFAOYSA-N -1 1 285.355 1.817 20 0 CDADMM c1nc(N2CCCC3(CCCC3)C2)cnc1-c1nn[n-]n1 ZINC001607137817 1164118496 /nfs/dbraw/zinc/11/84/96/1164118496.db2.gz ZTEWIHLZOHEHQE-UHFFFAOYSA-N -1 1 285.355 1.817 20 0 CDADMM c1sc(CN2CCOC3(CCC3)C2)nc1-c1nnn[n-]1 ZINC001607138192 1164118684 /nfs/dbraw/zinc/11/86/84/1164118684.db2.gz QEEPEVJWAOKMKV-UHFFFAOYSA-N -1 1 292.368 1.078 20 0 CDADMM c1sc(CN2CCOC3(CCC3)C2)nc1-c1nn[n-]n1 ZINC001607138192 1164118686 /nfs/dbraw/zinc/11/86/86/1164118686.db2.gz QEEPEVJWAOKMKV-UHFFFAOYSA-N -1 1 292.368 1.078 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NC[C@@H]2CC3CCC2CC3)n1 ZINC001607139017 1164120906 /nfs/dbraw/zinc/12/09/06/1164120906.db2.gz SHOODPSPQQJCPI-ILDUYXDCSA-N -1 1 285.355 1.895 20 0 CDADMM COc1cc(CN(CCC(=O)[O-])C[C@@H]2CCCO2)on1 ZINC001607157749 1164122981 /nfs/dbraw/zinc/12/29/81/1164122981.db2.gz RXXUTSUTVUOJGL-JTQLQIEISA-N -1 1 284.312 1.139 20 0 CDADMM Cc1[nH]c(CN2CCC3(CNC(=O)O3)CC2)cc1C(=O)[O-] ZINC001607493361 1164204964 /nfs/dbraw/zinc/20/49/64/1164204964.db2.gz CXJIXJIQUDGHFJ-UHFFFAOYSA-N -1 1 293.323 1.096 20 0 CDADMM Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)[O-])C3CC3)[nH]n2)o1 ZINC001607715132 1164277478 /nfs/dbraw/zinc/27/74/78/1164277478.db2.gz DFVIABBQXBAPEP-LBPRGKRZSA-N -1 1 290.275 1.998 20 0 CDADMM Cc1ccc([C@H](O)CNCc2cc(C(=O)[O-])no2)cc1 ZINC001607825570 1164307684 /nfs/dbraw/zinc/30/76/84/1164307684.db2.gz YRFFQQOGMUMNTA-CYBMUJFWSA-N -1 1 276.292 1.504 20 0 CDADMM Cc1cnn([C@H]2CCN(Cc3cc(C)c(C(=O)[O-])[nH]3)C2)c1 ZINC001607917284 1164337752 /nfs/dbraw/zinc/33/77/52/1164337752.db2.gz XOQUKRNNBNLNGM-ZDUSSCGKSA-N -1 1 288.351 1.973 20 0 CDADMM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1csc(C(=O)[O-])c1 ZINC001608229599 1164461716 /nfs/dbraw/zinc/46/17/16/1164461716.db2.gz MPRJCTIDQWBRDD-SCVCMEIPSA-N -1 1 294.376 1.532 20 0 CDADMM Nc1ccnc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)n1 ZINC001608273836 1164476643 /nfs/dbraw/zinc/47/66/43/1164476643.db2.gz DAASLHNBIBQGIL-OUAUKWLOSA-N -1 1 276.340 1.134 20 0 CDADMM Nc1nc2c(c(NCC3(C(=O)[O-])CCCC3)n1)CCCC2 ZINC001608277084 1164477487 /nfs/dbraw/zinc/47/74/87/1164477487.db2.gz UEPCHGHHQYFDLD-UHFFFAOYSA-N -1 1 290.367 1.995 20 0 CDADMM O=C([O-])c1sccc1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC001608413778 1164511483 /nfs/dbraw/zinc/51/14/83/1164511483.db2.gz GDIWPINANYBURM-ZETCQYMHSA-N -1 1 291.332 1.457 20 0 CDADMM O=C([O-])C1(CNC(=O)c2cccc(F)c2O)CC1 ZINC001608425924 1164514290 /nfs/dbraw/zinc/51/42/90/1164514290.db2.gz FAIVDNDSLUXKGQ-UHFFFAOYSA-N -1 1 253.229 1.126 20 0 CDADMM O=C([O-])[C@@H](CC(F)(F)F)NCc1cn(C2CC2)cn1 ZINC001608529750 1164534504 /nfs/dbraw/zinc/53/45/04/1164534504.db2.gz FTAXONXTTUBWIT-SECBINFHSA-N -1 1 277.246 1.713 20 0 CDADMM O=C([O-])[C@@H](c1cccnc1)N1CCCN(CC(F)F)CC1 ZINC001608561786 1164546109 /nfs/dbraw/zinc/54/61/09/1164546109.db2.gz LCJQZHKGCYDUQQ-CYBMUJFWSA-N -1 1 299.321 1.480 20 0 CDADMM O=C([O-])[C@H]1C[C@H](O)CN(Cc2cc(O)cc(Cl)c2)C1 ZINC001608600846 1164568057 /nfs/dbraw/zinc/56/80/57/1164568057.db2.gz GCTCTCDRKUXRQO-CABZTGNLSA-N -1 1 285.727 1.313 20 0 CDADMM O=C([O-])c1ccc(F)c(CN2CCC[C@@H](CO)[C@H]2CO)c1 ZINC001608895073 1164678009 /nfs/dbraw/zinc/67/80/09/1164678009.db2.gz NLGGRPLYKMPGSO-SMDDNHRTSA-N -1 1 297.326 1.089 20 0 CDADMM CC(C)(C)OCCCCn1cccc(-c2nn[n-]n2)c1=O ZINC001609079693 1164759722 /nfs/dbraw/zinc/75/97/22/1164759722.db2.gz NEYZXRLCJBNHPZ-UHFFFAOYSA-N -1 1 291.355 1.624 20 0 CDADMM CC(C)=CCNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609085889 1164762785 /nfs/dbraw/zinc/76/27/85/1164762785.db2.gz VWOJJPZMYUHQNJ-UHFFFAOYSA-N -1 1 273.300 1.349 20 0 CDADMM CC(C)=CCNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609085889 1164762791 /nfs/dbraw/zinc/76/27/91/1164762791.db2.gz VWOJJPZMYUHQNJ-UHFFFAOYSA-N -1 1 273.300 1.349 20 0 CDADMM CCc1csc(N2CC(C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000866295197 1164763395 /nfs/dbraw/zinc/76/33/95/1164763395.db2.gz VYCZOSQGIZZZAR-UHFFFAOYSA-N -1 1 293.314 1.820 20 0 CDADMM CC(C)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001609091142 1164765262 /nfs/dbraw/zinc/76/52/62/1164765262.db2.gz LEQORUDTIZXUPX-NSHDSACASA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001609091142 1164765267 /nfs/dbraw/zinc/76/52/67/1164765267.db2.gz LEQORUDTIZXUPX-NSHDSACASA-N -1 1 287.371 1.919 20 0 CDADMM CC1(C)CC=C(C(=O)n2ncc(-c3nn[n-]n3)c2N)CC1 ZINC001609144679 1164791961 /nfs/dbraw/zinc/79/19/61/1164791961.db2.gz IPLZPOABDHBLFF-UHFFFAOYSA-N -1 1 287.327 1.422 20 0 CDADMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1c1cncc(-c2nnn[n-]2)n1 ZINC001609159708 1164806517 /nfs/dbraw/zinc/80/65/17/1164806517.db2.gz SFINTGAVEWKEOP-JFGNBEQYSA-N -1 1 285.355 1.814 20 0 CDADMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1c1cncc(-c2nn[n-]n2)n1 ZINC001609159708 1164806526 /nfs/dbraw/zinc/80/65/26/1164806526.db2.gz SFINTGAVEWKEOP-JFGNBEQYSA-N -1 1 285.355 1.814 20 0 CDADMM C[C@@H]1CCCCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001609165502 1164810356 /nfs/dbraw/zinc/81/03/56/1164810356.db2.gz OQYFCCZNSPCOTP-SNVBAGLBSA-N -1 1 286.339 1.524 20 0 CDADMM C[C@@H]1CCCCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001609165502 1164810365 /nfs/dbraw/zinc/81/03/65/1164810365.db2.gz OQYFCCZNSPCOTP-SNVBAGLBSA-N -1 1 286.339 1.524 20 0 CDADMM C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609163930 1164810932 /nfs/dbraw/zinc/81/09/32/1164810932.db2.gz IQQPORPDWAWGSB-KCJUWKMLSA-N -1 1 289.314 1.924 20 0 CDADMM C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609163930 1164810936 /nfs/dbraw/zinc/81/09/36/1164810936.db2.gz IQQPORPDWAWGSB-KCJUWKMLSA-N -1 1 289.314 1.924 20 0 CDADMM CCC[C@@H](O)CNc1snc(C)c1-c1nn[n-]n1 ZINC001609206419 1164845229 /nfs/dbraw/zinc/84/52/29/1164845229.db2.gz YKIHNDRBRKZNBE-SSDOTTSWSA-N -1 1 268.346 1.205 20 0 CDADMM CCON(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001609241746 1164865123 /nfs/dbraw/zinc/86/51/23/1164865123.db2.gz RTUDLPJDVRCLMC-UHFFFAOYSA-N -1 1 260.710 1.364 20 0 CDADMM CCON(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001609241746 1164865128 /nfs/dbraw/zinc/86/51/28/1164865128.db2.gz RTUDLPJDVRCLMC-UHFFFAOYSA-N -1 1 260.710 1.364 20 0 CDADMM CO[C@H](CNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001609310010 1164888551 /nfs/dbraw/zinc/88/85/51/1164888551.db2.gz AQRUIQFELXBZOY-GFCCVEGCSA-N -1 1 297.322 1.456 20 0 CDADMM CO[C@H](CNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001609310010 1164888559 /nfs/dbraw/zinc/88/85/59/1164888559.db2.gz AQRUIQFELXBZOY-GFCCVEGCSA-N -1 1 297.322 1.456 20 0 CDADMM CS[C@H](C)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609369391 1164910854 /nfs/dbraw/zinc/91/08/54/1164910854.db2.gz YUJHTDRHWANENJ-NKWVEPMBSA-N -1 1 282.325 1.757 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCCc2cccc(F)c2)n1 ZINC001609392035 1164924774 /nfs/dbraw/zinc/92/47/74/1164924774.db2.gz DSMHDYGJAYRQQF-UHFFFAOYSA-N -1 1 299.313 1.759 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCCc2cccc(F)c2)n1 ZINC001609392035 1164924777 /nfs/dbraw/zinc/92/47/77/1164924777.db2.gz DSMHDYGJAYRQQF-UHFFFAOYSA-N -1 1 299.313 1.759 20 0 CDADMM Cc1cc(CNc2nc(C)cc(-c3nnn[n-]3)n2)cc(C)n1 ZINC001609402301 1164930945 /nfs/dbraw/zinc/93/09/45/1164930945.db2.gz XNLPOSGGTUXGDV-UHFFFAOYSA-N -1 1 296.338 1.589 20 0 CDADMM Cc1cc(CNc2nc(C)cc(-c3nn[n-]n3)n2)cc(C)n1 ZINC001609402301 1164930951 /nfs/dbraw/zinc/93/09/51/1164930951.db2.gz XNLPOSGGTUXGDV-UHFFFAOYSA-N -1 1 296.338 1.589 20 0 CDADMM Cc1cc(N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)ccn1 ZINC001609404187 1164932605 /nfs/dbraw/zinc/93/26/05/1164932605.db2.gz HYMMFYMYNMYTPC-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM Cc1cc(N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)ccn1 ZINC001609404187 1164932610 /nfs/dbraw/zinc/93/26/10/1164932610.db2.gz HYMMFYMYNMYTPC-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM FC1(F)CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001609486148 1164971048 /nfs/dbraw/zinc/97/10/48/1164971048.db2.gz HTWLCKVMFSPQCL-ZETCQYMHSA-N -1 1 281.270 1.504 20 0 CDADMM FC1(F)CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001609486148 1164971054 /nfs/dbraw/zinc/97/10/54/1164971054.db2.gz HTWLCKVMFSPQCL-ZETCQYMHSA-N -1 1 281.270 1.504 20 0 CDADMM Fc1cccc([C@@H]2C[C@H]2Nc2nccnc2-c2nnn[n-]2)c1 ZINC001609492321 1164974711 /nfs/dbraw/zinc/97/47/11/1164974711.db2.gz VTIHTJXWFWIVGW-WDEREUQCSA-N -1 1 297.297 1.764 20 0 CDADMM Fc1cccc([C@@H]2C[C@H]2Nc2nccnc2-c2nn[n-]n2)c1 ZINC001609492321 1164974716 /nfs/dbraw/zinc/97/47/16/1164974716.db2.gz VTIHTJXWFWIVGW-WDEREUQCSA-N -1 1 297.297 1.764 20 0 CDADMM O=C(OCc1ccccc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609577565 1164995334 /nfs/dbraw/zinc/99/53/34/1164995334.db2.gz OQYDOCHDFAPVCC-UHFFFAOYSA-N -1 1 281.275 1.619 20 0 CDADMM O=C(OCc1ccccc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609577565 1164995338 /nfs/dbraw/zinc/99/53/38/1164995338.db2.gz OQYDOCHDFAPVCC-UHFFFAOYSA-N -1 1 281.275 1.619 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC2(C1)CCCCC2 ZINC001609581492 1164996644 /nfs/dbraw/zinc/99/66/44/1164996644.db2.gz MQSOHKXOMQRNOL-UHFFFAOYSA-N -1 1 298.350 1.668 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC2(C1)CCCCC2 ZINC001609581492 1164996651 /nfs/dbraw/zinc/99/66/51/1164996651.db2.gz MQSOHKXOMQRNOL-UHFFFAOYSA-N -1 1 298.350 1.668 20 0 CDADMM c1ccc2c(c1)CC(Nc1cccc(-c3nnn[n-]3)n1)C2 ZINC001609614772 1165009649 /nfs/dbraw/zinc/00/96/49/1165009649.db2.gz MHJBWPCHEBEGRD-UHFFFAOYSA-N -1 1 278.319 1.841 20 0 CDADMM c1ccc2c(c1)CC(Nc1cccc(-c3nn[n-]n3)n1)C2 ZINC001609614772 1165009653 /nfs/dbraw/zinc/00/96/53/1165009653.db2.gz MHJBWPCHEBEGRD-UHFFFAOYSA-N -1 1 278.319 1.841 20 0 CDADMM c1sc(CNc2ccccn2)nc1-c1nnn[n-]1 ZINC001609617975 1165013468 /nfs/dbraw/zinc/01/34/68/1165013468.db2.gz YMKLGXORLSQFLG-UHFFFAOYSA-N -1 1 259.298 1.330 20 0 CDADMM c1sc(CNc2ccccn2)nc1-c1nn[n-]n1 ZINC001609617975 1165013470 /nfs/dbraw/zinc/01/34/70/1165013470.db2.gz YMKLGXORLSQFLG-UHFFFAOYSA-N -1 1 259.298 1.330 20 0 CDADMM O=C(CC[N-]C(=O)C(F)(F)F)COC(=O)C1CCCC1 ZINC000869315291 1165050285 /nfs/dbraw/zinc/05/02/85/1165050285.db2.gz VOPZYCNDGXBSNS-UHFFFAOYSA-N -1 1 295.257 1.358 20 0 CDADMM O=C([N-]c1nc[nH]n1)c1coc(-c2c(F)cccc2F)n1 ZINC001609851412 1165113272 /nfs/dbraw/zinc/11/32/72/1165113272.db2.gz NCTCZUDLEOMKPE-UHFFFAOYSA-N -1 1 291.217 1.990 20 0 CDADMM O=C([O-])c1cccc(-c2nc([C@@H]3CCCN3)no2)c1 ZINC001610844259 1165460579 /nfs/dbraw/zinc/46/05/79/1165460579.db2.gz UGDNLPCBDMXXFQ-JTQLQIEISA-N -1 1 259.265 1.859 20 0 CDADMM O=C(Nc1cccc2c1CCO2)c1ccc([O-])cn1 ZINC001618784691 1165643415 /nfs/dbraw/zinc/64/34/15/1165643415.db2.gz JFQFTSUHRTVNMG-UHFFFAOYSA-N -1 1 256.261 1.974 20 0 CDADMM CCn1c(Cc2nnn[n-]2)nnc1N(C)CCC(C)(C)C ZINC001650298983 1165729051 /nfs/dbraw/zinc/72/90/51/1165729051.db2.gz VZDHVOAOKWOCDC-UHFFFAOYSA-N -1 1 292.391 1.274 20 0 CDADMM CCn1c(Cc2nn[n-]n2)nnc1N(C)CCC(C)(C)C ZINC001650298983 1165729062 /nfs/dbraw/zinc/72/90/62/1165729062.db2.gz VZDHVOAOKWOCDC-UHFFFAOYSA-N -1 1 292.391 1.274 20 0 CDADMM CCC(CC)(NC(=O)[C@H](C)C1CCC1)c1nn[n-]n1 ZINC001626909230 1165965921 /nfs/dbraw/zinc/96/59/21/1165965921.db2.gz ZJPPEJURBLTFHJ-SECBINFHSA-N -1 1 265.361 1.767 20 0 CDADMM O=C(NCc1nc([O-])cc(=O)[nH]1)c1ccnc2ccccc21 ZINC001630647271 1166220972 /nfs/dbraw/zinc/22/09/72/1166220972.db2.gz UKCJORRUTNBQJT-UHFFFAOYSA-N -1 1 296.286 1.366 20 0 CDADMM CCn1nccc1[N-]S(=O)(=O)CC(F)(F)F ZINC001253102315 1166311708 /nfs/dbraw/zinc/31/17/08/1166311708.db2.gz YMGQZKJMJWMOFB-UHFFFAOYSA-N -1 1 257.237 1.207 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cccc2nccnc21 ZINC001636802570 1166701413 /nfs/dbraw/zinc/70/14/13/1166701413.db2.gz SRCQIVOUSSMSII-UHFFFAOYSA-N -1 1 269.264 1.619 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2cccc3nc[nH]c(=O)c32)c1[O-] ZINC001637833389 1166790112 /nfs/dbraw/zinc/79/01/12/1166790112.db2.gz MMCSWXATTDCFNW-UHFFFAOYSA-N -1 1 285.263 1.325 20 0 CDADMM O=C(NCCc1cn[nH]c1)c1ncc2ccccc2c1[O-] ZINC001638017991 1166812369 /nfs/dbraw/zinc/81/23/69/1166812369.db2.gz SOUMLIQKRRLOGR-UHFFFAOYSA-N -1 1 282.303 1.636 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1F)c1ccccc1[O-] ZINC001638875691 1166882593 /nfs/dbraw/zinc/88/25/93/1166882593.db2.gz DISYLJNWPUEHOQ-UHFFFAOYSA-N -1 1 299.265 1.964 20 0 CDADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCC[C@@H]([C@@H](C)O)C2)c1 ZINC001151423207 1167075310 /nfs/dbraw/zinc/07/53/10/1167075310.db2.gz FBMBDWAIJRCNFX-VXGBXAGGSA-N -1 1 291.347 1.746 20 0 CDADMM O=C(Nc1[n-]c(=O)nc2nc[nH]c21)c1ccc2cc[nH]c2n1 ZINC001151607212 1167086833 /nfs/dbraw/zinc/08/68/33/1167086833.db2.gz HFLHGQXGLUQRPU-UHFFFAOYSA-N -1 1 295.262 1.187 20 0 CDADMM C[C@@H](NC(=O)c1[n-][nH]c2cc(=O)ccc1-2)c1ccno1 ZINC001155276795 1167114395 /nfs/dbraw/zinc/11/43/95/1167114395.db2.gz SPZXRUDIJMJHJV-SSDOTTSWSA-N -1 1 272.264 1.748 20 0 CDADMM C[C@H](Oc1cccc(F)c1)C(=O)Nc1c[n-][nH]c1=O ZINC001641598062 1167122559 /nfs/dbraw/zinc/12/25/59/1167122559.db2.gz ICUGHIKWAUYDTH-ZETCQYMHSA-N -1 1 265.244 1.660 20 0 CDADMM CCC1(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)CC1 ZINC000487027329 1167354273 /nfs/dbraw/zinc/35/42/73/1167354273.db2.gz BXAKEKVMVXMSRP-UHFFFAOYSA-N -1 1 287.323 1.907 20 0 CDADMM Cc1nocc1C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001454255710 1167734144 /nfs/dbraw/zinc/73/41/44/1167734144.db2.gz PXBQVFMZKMUOCY-LLVKDONJSA-N -1 1 284.279 1.016 20 0 CDADMM COC[C@H](CCO)NCc1cc(C(=O)[O-])ccc1Cl ZINC001610248152 1167993619 /nfs/dbraw/zinc/99/36/19/1167993619.db2.gz YENICNZRZHOKJI-NSHDSACASA-N -1 1 287.743 1.525 20 0 CDADMM O=C([O-])[C@@H](C[C@H]1CCCO1)NCc1ncc(Cl)s1 ZINC001650014511 1169609549 /nfs/dbraw/zinc/60/95/49/1169609549.db2.gz MCYKWEPSVUQFPV-HTQZYQBOSA-N -1 1 290.772 1.908 20 0 CDADMM Cn1ccc(C(=O)Nc2cc([O-])c(F)cc2F)n1 ZINC001570101819 1170080671 /nfs/dbraw/zinc/08/06/71/1170080671.db2.gz MKJPOYSRJMYFTB-UHFFFAOYSA-N -1 1 253.208 1.656 20 0 CDADMM Cc1n[nH]c(CN2CC[C@@H](c3ncccn3)C2)c1C(=O)[O-] ZINC001574114825 1170886169 /nfs/dbraw/zinc/88/61/69/1170886169.db2.gz ZRVHPXDVJNGKGT-SNVBAGLBSA-N -1 1 287.323 1.196 20 0 CDADMM O=C([O-])c1ncc(CN2CCCC[C@]23CCOC3)s1 ZINC001574422767 1170977633 /nfs/dbraw/zinc/97/76/33/1170977633.db2.gz BCYJNQGOEZGRAJ-CYBMUJFWSA-N -1 1 282.365 1.986 20 0 CDADMM CCN1CC[C@H]1CNC(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC001574511235 1170989326 /nfs/dbraw/zinc/98/93/26/1170989326.db2.gz ZMICCSIOWWSJTE-LBPRGKRZSA-N -1 1 276.336 1.517 20 0 CDADMM Cc1cc(C(=O)Nc2ccncc2[O-])ccc1-n1cccn1 ZINC001650783504 1171256069 /nfs/dbraw/zinc/25/60/69/1171256069.db2.gz OUHLRXFQCAHUSG-UHFFFAOYSA-N -1 1 294.314 1.956 20 0 CDADMM CCOC(C)(C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001578274801 1171857141 /nfs/dbraw/zinc/85/71/41/1171857141.db2.gz URLCGANXVXOEPZ-UHFFFAOYSA-N -1 1 295.368 1.360 20 0 CDADMM C[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)c1cncc(F)c1 ZINC001580308094 1172399294 /nfs/dbraw/zinc/39/92/94/1172399294.db2.gz GHBVLXDEOYKKSZ-SSDOTTSWSA-N -1 1 286.274 1.364 20 0 CDADMM C[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)c1cncc(F)c1 ZINC001580308094 1172399301 /nfs/dbraw/zinc/39/93/01/1172399301.db2.gz GHBVLXDEOYKKSZ-SSDOTTSWSA-N -1 1 286.274 1.364 20 0 CDADMM Cc1ccc(Cn2cccc(-c3nn[n-]n3)c2=O)cc1F ZINC001581202055 1172593675 /nfs/dbraw/zinc/59/36/75/1172593675.db2.gz HDEWOSUWVZUZBV-UHFFFAOYSA-N -1 1 285.282 1.524 20 0 CDADMM Cc1ccncc1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001581288304 1172600066 /nfs/dbraw/zinc/60/00/66/1172600066.db2.gz DTCWLQOPLJIQBF-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)C12CC(C1)C2 ZINC001582548192 1172681877 /nfs/dbraw/zinc/68/18/77/1172681877.db2.gz IZXROTVAFJVNDO-UHFFFAOYSA-N -1 1 275.337 1.345 20 0 CDADMM O=C(Nc1ccon1)c1ccsc1-c1nnn[n-]1 ZINC001582650027 1172686584 /nfs/dbraw/zinc/68/65/84/1172686584.db2.gz MTSZYBZUEKJMLS-UHFFFAOYSA-N -1 1 262.254 1.169 20 0 CDADMM O=C(Nc1ccon1)c1ccsc1-c1nn[n-]n1 ZINC001582650027 1172686590 /nfs/dbraw/zinc/68/65/90/1172686590.db2.gz MTSZYBZUEKJMLS-UHFFFAOYSA-N -1 1 262.254 1.169 20 0 CDADMM O=C(Nc1cc2cc[nH]c2cn1)c1ccc(-c2nn[n-]n2)o1 ZINC001582635836 1172687879 /nfs/dbraw/zinc/68/78/79/1172687879.db2.gz BQYJZPRFIQTDBY-UHFFFAOYSA-N -1 1 295.262 1.588 20 0 CDADMM Oc1ccccc1Sc1ccnc(-c2nn[n-]n2)n1 ZINC001582817090 1172696442 /nfs/dbraw/zinc/69/64/42/1172696442.db2.gz ZUBNUBPGSGLIMZ-UHFFFAOYSA-N -1 1 272.293 1.514 20 0 CDADMM Oc1ccc2c(c1)[C@H](Nc1nccnc1-c1nnn[n-]1)CC2 ZINC001582817010 1172697280 /nfs/dbraw/zinc/69/72/80/1172697280.db2.gz WYEAHNMYXSRZLC-LLVKDONJSA-N -1 1 295.306 1.462 20 0 CDADMM Oc1ccc2c(c1)[C@H](Nc1nccnc1-c1nn[n-]n1)CC2 ZINC001582817010 1172697289 /nfs/dbraw/zinc/69/72/89/1172697289.db2.gz WYEAHNMYXSRZLC-LLVKDONJSA-N -1 1 295.306 1.462 20 0 CDADMM CC(=O)[C@H](C)SCc1nc(-c2nnn[n-]2)cs1 ZINC001588787111 1173107036 /nfs/dbraw/zinc/10/70/36/1173107036.db2.gz TWGZKXOSSOSKDE-LURJTMIESA-N -1 1 269.355 1.534 20 0 CDADMM CC(=O)[C@H](C)SCc1nc(-c2nn[n-]n2)cs1 ZINC001588787111 1173107038 /nfs/dbraw/zinc/10/70/38/1173107038.db2.gz TWGZKXOSSOSKDE-LURJTMIESA-N -1 1 269.355 1.534 20 0 CDADMM CC(C)[C@@H](Nc1ncncc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001589477037 1173148724 /nfs/dbraw/zinc/14/87/24/1173148724.db2.gz YQGGIGXFZXCLIN-LLVKDONJSA-N -1 1 299.342 1.199 20 0 CDADMM CC(C)[C@H](O)COC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001589480016 1173149192 /nfs/dbraw/zinc/14/91/92/1173149192.db2.gz JBCWSEZSZIHFKO-SNVBAGLBSA-N -1 1 294.286 1.180 20 0 CDADMM CC(C)[C@H](O)COC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001589480016 1173149196 /nfs/dbraw/zinc/14/91/96/1173149196.db2.gz JBCWSEZSZIHFKO-SNVBAGLBSA-N -1 1 294.286 1.180 20 0 CDADMM CC(C)[C@@H](O)CCOc1cccc(F)c1-c1nnn[n-]1 ZINC001589480708 1173149289 /nfs/dbraw/zinc/14/92/89/1173149289.db2.gz TVRVIOBHRYNGEG-JTQLQIEISA-N -1 1 280.303 1.792 20 0 CDADMM CC(C)[C@@H](O)CCOc1cccc(F)c1-c1nn[n-]n1 ZINC001589480708 1173149290 /nfs/dbraw/zinc/14/92/90/1173149290.db2.gz TVRVIOBHRYNGEG-JTQLQIEISA-N -1 1 280.303 1.792 20 0 CDADMM CC(C)[C@@H]1[C@@H](C(C)C)CN1c1cc(-c2nnn[n-]2)ncn1 ZINC001589517778 1173153166 /nfs/dbraw/zinc/15/31/66/1173153166.db2.gz OLFMDFPJQYRQMG-ZWNOBZJWSA-N -1 1 287.371 1.774 20 0 CDADMM CC(C)[C@@H]1[C@@H](C(C)C)CN1c1cc(-c2nn[n-]n2)ncn1 ZINC001589517778 1173153172 /nfs/dbraw/zinc/15/31/72/1173153172.db2.gz OLFMDFPJQYRQMG-ZWNOBZJWSA-N -1 1 287.371 1.774 20 0 CDADMM CC(C)[C@H]1CCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589511065 1173154487 /nfs/dbraw/zinc/15/44/87/1173154487.db2.gz SPRNUBWAZMQHNN-SECBINFHSA-N -1 1 261.285 1.330 20 0 CDADMM CC(C)[C@H]1CCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589511065 1173154489 /nfs/dbraw/zinc/15/44/89/1173154489.db2.gz SPRNUBWAZMQHNN-SECBINFHSA-N -1 1 261.285 1.330 20 0 CDADMM C[C@@H](C[C@@H]1CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589804140 1173183921 /nfs/dbraw/zinc/18/39/21/1173183921.db2.gz XFFBHUDIVWMRRK-IUCAKERBSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@@H](C[C@@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589804140 1173183922 /nfs/dbraw/zinc/18/39/22/1173183922.db2.gz XFFBHUDIVWMRRK-IUCAKERBSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@@H](CC(C)(C)C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001589797098 1173185168 /nfs/dbraw/zinc/18/51/68/1173185168.db2.gz VBKIJEYZSGMWOB-ZETCQYMHSA-N -1 1 277.332 1.358 20 0 CDADMM C[C@@H](Cc1ccco1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589902710 1173197311 /nfs/dbraw/zinc/19/73/11/1173197311.db2.gz JBTLQLGYMZJSSK-VIFPVBQESA-N -1 1 270.296 1.320 20 0 CDADMM C[C@@H](Cc1ccco1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589902710 1173197317 /nfs/dbraw/zinc/19/73/17/1173197317.db2.gz JBTLQLGYMZJSSK-VIFPVBQESA-N -1 1 270.296 1.320 20 0 CDADMM C[C@@H](N(C)c1cc(-c2nnn[n-]2)ncn1)C1(C)CC1 ZINC001589914537 1173204579 /nfs/dbraw/zinc/20/45/79/1173204579.db2.gz WWJZWUDRELMHIB-MRVPVSSYSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@@H](N(C)c1cc(-c2nn[n-]n2)ncn1)C1(C)CC1 ZINC001589914537 1173204584 /nfs/dbraw/zinc/20/45/84/1173204584.db2.gz WWJZWUDRELMHIB-MRVPVSSYSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@H](c1ccccn1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001590051969 1173241270 /nfs/dbraw/zinc/24/12/70/1173241270.db2.gz WCMXLQSTEDWCOV-SECBINFHSA-N -1 1 282.311 1.249 20 0 CDADMM CC1(C)CC[C@@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590093490 1173252880 /nfs/dbraw/zinc/25/28/80/1173252880.db2.gz RYAQRJXLSQAPLF-NSHDSACASA-N -1 1 286.339 1.109 20 0 CDADMM CC1(C)CC[C@@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590093490 1173252885 /nfs/dbraw/zinc/25/28/85/1173252885.db2.gz RYAQRJXLSQAPLF-NSHDSACASA-N -1 1 286.339 1.109 20 0 CDADMM CC1(C)CCC[C@H](COc2cnc(-c3nn[n-]n3)nc2)O1 ZINC001590095482 1173257765 /nfs/dbraw/zinc/25/77/65/1173257765.db2.gz ZDIWMKSYZIFNNX-SECBINFHSA-N -1 1 290.327 1.383 20 0 CDADMM C[C@H]1CC(F)(F)CCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590193250 1173287244 /nfs/dbraw/zinc/28/72/44/1173287244.db2.gz OBCUXPRZNVVKJG-ZETCQYMHSA-N -1 1 297.265 1.720 20 0 CDADMM C[C@@H]1C[C@H](COc2cccnc2-c2nnn[n-]2)CCO1 ZINC001590193254 1173287906 /nfs/dbraw/zinc/28/79/06/1173287906.db2.gz OIOCFBCNPROOIR-NXEZZACHSA-N -1 1 275.312 1.456 20 0 CDADMM C[C@@H]1C[C@H](COc2cccnc2-c2nn[n-]n2)CCO1 ZINC001590193254 1173287907 /nfs/dbraw/zinc/28/79/07/1173287907.db2.gz OIOCFBCNPROOIR-NXEZZACHSA-N -1 1 275.312 1.456 20 0 CDADMM C[C@H]1CCC[C@@H](Cn2cnc(-c3nn[n-]n3)cc2=O)C1 ZINC001590239688 1173312447 /nfs/dbraw/zinc/31/24/47/1173312447.db2.gz ADIYMIWRRVZINN-VHSXEESVSA-N -1 1 274.328 1.250 20 0 CDADMM C[C@@H]1CCC[C@@H]1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590245840 1173316249 /nfs/dbraw/zinc/31/62/49/1173316249.db2.gz APDVVFSYPSECNK-SCZZXKLOSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@@H]1CCC[C@@H]1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590245840 1173316255 /nfs/dbraw/zinc/31/62/55/1173316255.db2.gz APDVVFSYPSECNK-SCZZXKLOSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@H]1CCC[C@H](Cn2cc(-c3nn[n-]n3)ccc2=O)C1 ZINC001590245229 1173317948 /nfs/dbraw/zinc/31/79/48/1173317948.db2.gz XSVWPUPKZAZCDM-QWRGUYRKSA-N -1 1 273.340 1.855 20 0 CDADMM C[C@@H]1CCC[C@H](OC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590249700 1173320066 /nfs/dbraw/zinc/32/00/66/1173320066.db2.gz CYAAWHIPDGZUAN-KOLCDFICSA-N -1 1 287.323 1.997 20 0 CDADMM C[C@@H]1CCC[C@H](OC(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590249700 1173320073 /nfs/dbraw/zinc/32/00/73/1173320073.db2.gz CYAAWHIPDGZUAN-KOLCDFICSA-N -1 1 287.323 1.997 20 0 CDADMM C[C@@H]1COC[C@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001590326102 1173359255 /nfs/dbraw/zinc/35/92/55/1173359255.db2.gz TXGWHWHHLYYKEZ-RFZPGFLSSA-N -1 1 286.748 1.423 20 0 CDADMM C[C@H]1OCC[C@@H]1Sc1ccnc(-c2nnn[n-]2)c1 ZINC001590335491 1173362458 /nfs/dbraw/zinc/36/24/58/1173362458.db2.gz GZKLUSPWIIMEQA-XCBNKYQSSA-N -1 1 263.326 1.531 20 0 CDADMM C[C@H]1OCC[C@@H]1Sc1ccnc(-c2nn[n-]n2)c1 ZINC001590335491 1173362466 /nfs/dbraw/zinc/36/24/66/1173362466.db2.gz GZKLUSPWIIMEQA-XCBNKYQSSA-N -1 1 263.326 1.531 20 0 CDADMM C[C@H]1c2ccsc2CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001590337928 1173365445 /nfs/dbraw/zinc/36/54/45/1173365445.db2.gz LIRLWIZWLHHPPF-QMMMGPOBSA-N -1 1 299.363 1.842 20 0 CDADMM CCC1(CNc2n[nH]c(C)c2-c2nnn[n-]2)CCOCC1 ZINC001590496912 1173433423 /nfs/dbraw/zinc/43/34/23/1173433423.db2.gz WVIDMZVBYPLECL-UHFFFAOYSA-N -1 1 291.359 1.517 20 0 CDADMM CCC1(CNc2n[nH]c(C)c2-c2nn[n-]n2)CCOCC1 ZINC001590496912 1173433428 /nfs/dbraw/zinc/43/34/28/1173433428.db2.gz WVIDMZVBYPLECL-UHFFFAOYSA-N -1 1 291.359 1.517 20 0 CDADMM CC[C@@H]1C[C@H](CNc2n[nH]c(C)c2-c2nnn[n-]2)CCO1 ZINC001590503182 1173440157 /nfs/dbraw/zinc/44/01/57/1173440157.db2.gz ITOSLWQGBGGSKO-NXEZZACHSA-N -1 1 291.359 1.515 20 0 CDADMM CC[C@@H]1C[C@H](CNc2n[nH]c(C)c2-c2nn[n-]n2)CCO1 ZINC001590503182 1173440164 /nfs/dbraw/zinc/44/01/64/1173440164.db2.gz ITOSLWQGBGGSKO-NXEZZACHSA-N -1 1 291.359 1.515 20 0 CDADMM CC[C@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590508088 1173443210 /nfs/dbraw/zinc/44/32/10/1173443210.db2.gz IWBYPVRQPBETCR-UWVGGRQHSA-N -1 1 273.344 1.459 20 0 CDADMM CCOC(=O)CCCSc1cccnc1-c1nnn[n-]1 ZINC001590762602 1173508626 /nfs/dbraw/zinc/50/86/26/1173508626.db2.gz PYGZWOXSHMWZSS-UHFFFAOYSA-N -1 1 293.352 1.697 20 0 CDADMM CCOC(=O)CCCSc1cccnc1-c1nn[n-]n1 ZINC001590762602 1173508631 /nfs/dbraw/zinc/50/86/31/1173508631.db2.gz PYGZWOXSHMWZSS-UHFFFAOYSA-N -1 1 293.352 1.697 20 0 CDADMM CCOC[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590817136 1173520297 /nfs/dbraw/zinc/52/02/97/1173520297.db2.gz GOCFNDPMGFXRDK-SSDOTTSWSA-N -1 1 282.325 1.510 20 0 CDADMM CCOC[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590817136 1173520301 /nfs/dbraw/zinc/52/03/01/1173520301.db2.gz GOCFNDPMGFXRDK-SSDOTTSWSA-N -1 1 282.325 1.510 20 0 CDADMM CCc1ccc2c(c1)CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001590892049 1173536550 /nfs/dbraw/zinc/53/65/50/1173536550.db2.gz IFVNVWRRWLTTCV-UHFFFAOYSA-N -1 1 293.334 1.913 20 0 CDADMM CCc1ccc2c(c1)CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001590892049 1173536558 /nfs/dbraw/zinc/53/65/58/1173536558.db2.gz IFVNVWRRWLTTCV-UHFFFAOYSA-N -1 1 293.334 1.913 20 0 CDADMM CCc1nc(NCC=C(C)C)cc(-c2nnn[n-]2)n1 ZINC001590918340 1173544938 /nfs/dbraw/zinc/54/49/38/1173544938.db2.gz BPNKNKJTMCQTGV-UHFFFAOYSA-N -1 1 259.317 1.597 20 0 CDADMM CCc1nc(NCC=C(C)C)cc(-c2nn[n-]n2)n1 ZINC001590918340 1173544941 /nfs/dbraw/zinc/54/49/41/1173544941.db2.gz BPNKNKJTMCQTGV-UHFFFAOYSA-N -1 1 259.317 1.597 20 0 CDADMM CN(Cc1nccs1)Cc1nc(-c2nnn[n-]2)cs1 ZINC001591152691 1173581523 /nfs/dbraw/zinc/58/15/23/1173581523.db2.gz ITNVCOKJIIEWHI-UHFFFAOYSA-N -1 1 293.381 1.412 20 0 CDADMM CN(Cc1nccs1)Cc1nc(-c2nn[n-]n2)cs1 ZINC001591152691 1173581528 /nfs/dbraw/zinc/58/15/28/1173581528.db2.gz ITNVCOKJIIEWHI-UHFFFAOYSA-N -1 1 293.381 1.412 20 0 CDADMM CO[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CCC1 ZINC001591315281 1173601872 /nfs/dbraw/zinc/60/18/72/1173601872.db2.gz GSNAYDAFSMFMKW-NSHDSACASA-N -1 1 288.311 1.015 20 0 CDADMM CO[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CCC1 ZINC001591315281 1173601877 /nfs/dbraw/zinc/60/18/77/1173601877.db2.gz GSNAYDAFSMFMKW-NSHDSACASA-N -1 1 288.311 1.015 20 0 CDADMM CO[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)nc(C)n2)C1(C)C ZINC001591349525 1173623238 /nfs/dbraw/zinc/62/32/38/1173623238.db2.gz RWOKLYSUCBGETM-VHSXEESVSA-N -1 1 289.343 1.191 20 0 CDADMM CO[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)nc(C)n2)C1(C)C ZINC001591349525 1173623243 /nfs/dbraw/zinc/62/32/43/1173623243.db2.gz RWOKLYSUCBGETM-VHSXEESVSA-N -1 1 289.343 1.191 20 0 CDADMM CO[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001591350264 1173623770 /nfs/dbraw/zinc/62/37/70/1173623770.db2.gz QSXQBTAQPIEYQA-UWVGGRQHSA-N -1 1 287.327 1.026 20 0 CDADMM CO[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001591350264 1173623772 /nfs/dbraw/zinc/62/37/72/1173623772.db2.gz QSXQBTAQPIEYQA-UWVGGRQHSA-N -1 1 287.327 1.026 20 0 CDADMM COCC1(COC(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001591390034 1173642966 /nfs/dbraw/zinc/64/29/66/1173642966.db2.gz YFJROIATENNATC-UHFFFAOYSA-N -1 1 278.268 1.043 20 0 CDADMM COCCCCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591412472 1173650209 /nfs/dbraw/zinc/65/02/09/1173650209.db2.gz MYXLPBXOPLMCKZ-UHFFFAOYSA-N -1 1 281.341 1.085 20 0 CDADMM COCc1ccc(Nc2nc(C)cc(-c3nnn[n-]3)n2)cc1 ZINC001591456955 1173654493 /nfs/dbraw/zinc/65/44/93/1173654493.db2.gz GAPBWRWXZPLDST-UHFFFAOYSA-N -1 1 297.322 1.855 20 0 CDADMM COCc1ccc(Nc2nc(C)cc(-c3nn[n-]n3)n2)cc1 ZINC001591456955 1173654497 /nfs/dbraw/zinc/65/44/97/1173654497.db2.gz GAPBWRWXZPLDST-UHFFFAOYSA-N -1 1 297.322 1.855 20 0 CDADMM COc1ccccc1[C@H](C)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001591654231 1173676587 /nfs/dbraw/zinc/67/65/87/1173676587.db2.gz FSJXQLBNONKSOI-VIFPVBQESA-N -1 1 297.322 1.838 20 0 CDADMM COc1ccccc1[C@H](C)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001591654231 1173676590 /nfs/dbraw/zinc/67/65/90/1173676590.db2.gz FSJXQLBNONKSOI-VIFPVBQESA-N -1 1 297.322 1.838 20 0 CDADMM CS[C@@H](C)COC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591689928 1173678923 /nfs/dbraw/zinc/67/89/23/1173678923.db2.gz QCQVSNBSDQCDSS-LURJTMIESA-N -1 1 282.325 1.676 20 0 CDADMM CS[C@@H](C)COC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591689928 1173678927 /nfs/dbraw/zinc/67/89/27/1173678927.db2.gz QCQVSNBSDQCDSS-LURJTMIESA-N -1 1 282.325 1.676 20 0 CDADMM C[C@H](NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1)C1CC1 ZINC001591768622 1173696109 /nfs/dbraw/zinc/69/61/09/1173696109.db2.gz LQGFHWNCBWJROY-QMMMGPOBSA-N -1 1 296.334 1.876 20 0 CDADMM C[C@H]1COCCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001591774699 1173699734 /nfs/dbraw/zinc/69/97/34/1173699734.db2.gz VNJVXPWTJHCWRE-YFKPBYRVSA-N -1 1 286.748 1.202 20 0 CDADMM C[C@H]1COCCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591774699 1173699737 /nfs/dbraw/zinc/69/97/37/1173699737.db2.gz VNJVXPWTJHCWRE-YFKPBYRVSA-N -1 1 286.748 1.202 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC([C@@H](C)O)CC2)c1 ZINC001591886959 1173739262 /nfs/dbraw/zinc/73/92/62/1173739262.db2.gz QUBXEJGVHHZRRD-SNVBAGLBSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC([C@@H](C)O)CC2)c1 ZINC001591886959 1173739266 /nfs/dbraw/zinc/73/92/66/1173739266.db2.gz QUBXEJGVHHZRRD-SNVBAGLBSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCS2)n1 ZINC001591896395 1173745561 /nfs/dbraw/zinc/74/55/61/1173745561.db2.gz FRWYXIJILGGJFP-MRVPVSSYSA-N -1 1 277.357 1.273 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCS2)n1 ZINC001591896395 1173745566 /nfs/dbraw/zinc/74/55/66/1173745566.db2.gz FRWYXIJILGGJFP-MRVPVSSYSA-N -1 1 277.357 1.273 20 0 CDADMM Cc1cc(C)c(CNc2cccc(-c3nn[n-]n3)n2)cn1 ZINC001591948910 1173754172 /nfs/dbraw/zinc/75/41/72/1173754172.db2.gz RGETZMYFGJCYLF-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1cc(N2C[C@H](CO)C[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001591998442 1173766665 /nfs/dbraw/zinc/76/66/65/1173766665.db2.gz HHBJOGBJYQVRRM-GXSJLCMTSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(N2C[C@H](CO)C[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001591998442 1173766673 /nfs/dbraw/zinc/76/66/73/1173766673.db2.gz HHBJOGBJYQVRRM-GXSJLCMTSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(NCCCCCCO)cc(-c2nnn[n-]2)n1 ZINC001592048301 1173786145 /nfs/dbraw/zinc/78/61/45/1173786145.db2.gz ZRGXLOPJYTYBPO-UHFFFAOYSA-N -1 1 276.344 1.535 20 0 CDADMM Cc1cc(NCCCCCCO)cc(-c2nn[n-]n2)n1 ZINC001592048301 1173786152 /nfs/dbraw/zinc/78/61/52/1173786152.db2.gz ZRGXLOPJYTYBPO-UHFFFAOYSA-N -1 1 276.344 1.535 20 0 CDADMM Cc1cc(NC[C@@H]2CCCO2)nc(-c2nnn[n-]2)c1 ZINC001592051945 1173786299 /nfs/dbraw/zinc/78/62/99/1173786299.db2.gz WTKXPMXUUVDIQO-VIFPVBQESA-N -1 1 260.301 1.161 20 0 CDADMM Cc1cc(NC[C@@H]2CCCO2)nc(-c2nn[n-]n2)c1 ZINC001592051945 1173786303 /nfs/dbraw/zinc/78/63/03/1173786303.db2.gz WTKXPMXUUVDIQO-VIFPVBQESA-N -1 1 260.301 1.161 20 0 CDADMM Cc1cc2c(cc1C)N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001592070541 1173795227 /nfs/dbraw/zinc/79/52/27/1173795227.db2.gz IWTGNRZKVWTCJA-UHFFFAOYSA-N -1 1 293.334 1.968 20 0 CDADMM Cc1cc2c(cc1C)N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001592070541 1173795230 /nfs/dbraw/zinc/79/52/30/1173795230.db2.gz IWTGNRZKVWTCJA-UHFFFAOYSA-N -1 1 293.334 1.968 20 0 CDADMM Cc1ccc([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)s1 ZINC001592136173 1173810920 /nfs/dbraw/zinc/81/09/20/1173810920.db2.gz VSIYFJDNWIRUIY-MRVPVSSYSA-N -1 1 287.352 1.622 20 0 CDADMM Cc1ccc(CNc2cc(C)nc(-c3nnn[n-]3)c2)cn1 ZINC001592167022 1173817609 /nfs/dbraw/zinc/81/76/09/1173817609.db2.gz VAFWUYRKMXCDNA-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1ccc(CNc2cc(C)nc(-c3nn[n-]n3)c2)cn1 ZINC001592167022 1173817614 /nfs/dbraw/zinc/81/76/14/1173817614.db2.gz VAFWUYRKMXCDNA-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1ccc(NCC2(C)CCOCC2)nc1-c1nnn[n-]1 ZINC001592183027 1173825736 /nfs/dbraw/zinc/82/57/36/1173825736.db2.gz JLESGMUWRKUDRA-UHFFFAOYSA-N -1 1 288.355 1.799 20 0 CDADMM Cc1ccc(NCC2(C)CCOCC2)nc1-c1nn[n-]n1 ZINC001592183027 1173825742 /nfs/dbraw/zinc/82/57/42/1173825742.db2.gz JLESGMUWRKUDRA-UHFFFAOYSA-N -1 1 288.355 1.799 20 0 CDADMM Cc1ccc(N2CCC[C@@H]2C[C@H](C)O)nc1-c1nnn[n-]1 ZINC001592177198 1173827065 /nfs/dbraw/zinc/82/70/65/1173827065.db2.gz XBWYQUHBDRTDTI-WDEREUQCSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1ccc(N2CCC[C@@H]2C[C@H](C)O)nc1-c1nn[n-]n1 ZINC001592177198 1173827070 /nfs/dbraw/zinc/82/70/70/1173827070.db2.gz XBWYQUHBDRTDTI-WDEREUQCSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1[nH]nc(NC(=O)c2cccc(C)c2O)c1-c1nn[n-]n1 ZINC001592221147 1173834307 /nfs/dbraw/zinc/83/43/07/1173834307.db2.gz ORNCAGUNELVWRM-UHFFFAOYSA-N -1 1 299.294 1.165 20 0 CDADMM Cc1cccc(CCNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001592229673 1173835911 /nfs/dbraw/zinc/83/59/11/1173835911.db2.gz PGDISEPGCQWWAZ-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1cccc(CCNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001592229673 1173835915 /nfs/dbraw/zinc/83/59/15/1173835915.db2.gz PGDISEPGCQWWAZ-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1ccn(CCC[C@H]2CCOC2)c(=O)c1-c1nn[n-]n1 ZINC001592266811 1173837485 /nfs/dbraw/zinc/83/74/85/1173837485.db2.gz XVVQRVHGMDTEGO-NSHDSACASA-N -1 1 289.339 1.154 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]3[C@H](C2)C3(F)F)n1 ZINC001592338204 1173859171 /nfs/dbraw/zinc/85/91/71/1173859171.db2.gz WMVZRKMSUVDRAW-SFYZADRCSA-N -1 1 293.281 1.057 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]3[C@H](C2)C3(F)F)n1 ZINC001592338204 1173859176 /nfs/dbraw/zinc/85/91/76/1173859176.db2.gz WMVZRKMSUVDRAW-SFYZADRCSA-N -1 1 293.281 1.057 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](C3CC3)C2)n1 ZINC001592339682 1173862669 /nfs/dbraw/zinc/86/26/69/1173862669.db2.gz ADUGHLVKIVIHPL-NSHDSACASA-N -1 1 285.355 1.592 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](C3CC3)C2)n1 ZINC001592339682 1173862674 /nfs/dbraw/zinc/86/26/74/1173862674.db2.gz ADUGHLVKIVIHPL-NSHDSACASA-N -1 1 285.355 1.592 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCCC3(CC3)CC2)n1 ZINC001592340311 1173862765 /nfs/dbraw/zinc/86/27/65/1173862765.db2.gz GAHISZVUXFPNST-UHFFFAOYSA-N -1 1 285.355 1.736 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCCC3(CC3)CC2)n1 ZINC001592340311 1173862769 /nfs/dbraw/zinc/86/27/69/1173862769.db2.gz GAHISZVUXFPNST-UHFFFAOYSA-N -1 1 285.355 1.736 20 0 CDADMM Cc1nc(C)c(COc2cccnc2-c2nnn[n-]2)o1 ZINC001592357295 1173867707 /nfs/dbraw/zinc/86/77/07/1173867707.db2.gz IZBHBLZWCWAVND-UHFFFAOYSA-N -1 1 272.268 1.446 20 0 CDADMM Cc1nc(C)c(COc2cccnc2-c2nn[n-]n2)o1 ZINC001592357295 1173867717 /nfs/dbraw/zinc/86/77/17/1173867717.db2.gz IZBHBLZWCWAVND-UHFFFAOYSA-N -1 1 272.268 1.446 20 0 CDADMM Cc1nc(N[C@H]2CCC[C@@H](F)C2)cc(-c2nnn[n-]2)n1 ZINC001592382245 1173874445 /nfs/dbraw/zinc/87/44/45/1173874445.db2.gz KRWNUCBZNPRNAO-BDAKNGLRSA-N -1 1 277.307 1.658 20 0 CDADMM Cc1nc(N[C@H]2CCC[C@@H](F)C2)cc(-c2nn[n-]n2)n1 ZINC001592382245 1173874449 /nfs/dbraw/zinc/87/44/49/1173874449.db2.gz KRWNUCBZNPRNAO-BDAKNGLRSA-N -1 1 277.307 1.658 20 0 CDADMM Cc1nc(NC[C@@]2(C)CCCS2)cc(-c2nnn[n-]2)n1 ZINC001592386700 1173876191 /nfs/dbraw/zinc/87/61/91/1173876191.db2.gz ZLVNIXLNPPDVOC-GFCCVEGCSA-N -1 1 291.384 1.663 20 0 CDADMM Cc1nc(NC[C@@]2(C)CCCS2)cc(-c2nn[n-]n2)n1 ZINC001592386700 1173876196 /nfs/dbraw/zinc/87/61/96/1173876196.db2.gz ZLVNIXLNPPDVOC-GFCCVEGCSA-N -1 1 291.384 1.663 20 0 CDADMM Cc1nc2[nH]ccc2c(Oc2cccnc2-c2nnn[n-]2)n1 ZINC001592397136 1173882163 /nfs/dbraw/zinc/88/21/63/1173882163.db2.gz FZMGCZKBDWIZDM-UHFFFAOYSA-N -1 1 294.278 1.634 20 0 CDADMM Cc1nc2[nH]ccc2c(Oc2cccnc2-c2nn[n-]n2)n1 ZINC001592397136 1173882172 /nfs/dbraw/zinc/88/21/72/1173882172.db2.gz FZMGCZKBDWIZDM-UHFFFAOYSA-N -1 1 294.278 1.634 20 0 CDADMM Cc1nn(C)c(NC(=O)C2CC(C)(C)C2)c1-c1nnn[n-]1 ZINC001592442842 1173892315 /nfs/dbraw/zinc/89/23/15/1173892315.db2.gz PLWZERKNNCXYFI-UHFFFAOYSA-N -1 1 289.343 1.283 20 0 CDADMM Cc1nn(C)c(NC(=O)C2CC(C)(C)C2)c1-c1nn[n-]n1 ZINC001592442842 1173892318 /nfs/dbraw/zinc/89/23/18/1173892318.db2.gz PLWZERKNNCXYFI-UHFFFAOYSA-N -1 1 289.343 1.283 20 0 CDADMM Cc1noc(C)c1C[C@@H](C)Nc1cccnc1-c1nnn[n-]1 ZINC001592457998 1173893513 /nfs/dbraw/zinc/89/35/13/1173893513.db2.gz QFLWIEKKQUVTDX-MRVPVSSYSA-N -1 1 299.338 1.910 20 0 CDADMM Cc1noc(C)c1C[C@@H](C)Nc1cccnc1-c1nn[n-]n1 ZINC001592457998 1173893518 /nfs/dbraw/zinc/89/35/18/1173893518.db2.gz QFLWIEKKQUVTDX-MRVPVSSYSA-N -1 1 299.338 1.910 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)C[C@H]1CC1(C)C ZINC001592495234 1173905855 /nfs/dbraw/zinc/90/58/55/1173905855.db2.gz ISYYGQKTLGZXOU-SECBINFHSA-N -1 1 289.339 1.886 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)C[C@H]1CC1(C)C ZINC001592495234 1173905862 /nfs/dbraw/zinc/90/58/62/1173905862.db2.gz ISYYGQKTLGZXOU-SECBINFHSA-N -1 1 289.339 1.886 20 0 CDADMM ClC1(Cl)C[C@@H]1CCn1cnc(-c2nn[n-]n2)n1 ZINC001592524372 1173911848 /nfs/dbraw/zinc/91/18/48/1173911848.db2.gz QWKTYYXUWMOJFQ-YFKPBYRVSA-N -1 1 274.115 1.042 20 0 CDADMM Cn1ccc(CNc2nc(-c3nn[n-]n3)c(Cl)s2)n1 ZINC001592580779 1173921955 /nfs/dbraw/zinc/92/19/55/1173921955.db2.gz GJPVNIATWVACPU-UHFFFAOYSA-N -1 1 296.747 1.322 20 0 CDADMM Cn1nccc1[C@@H]1CCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001592606370 1173926562 /nfs/dbraw/zinc/92/65/62/1173926562.db2.gz JJCKICQRBCMMEW-ZDUSSCGKSA-N -1 1 296.338 1.337 20 0 CDADMM Cn1nccc1[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001592606370 1173926566 /nfs/dbraw/zinc/92/65/66/1173926566.db2.gz JJCKICQRBCMMEW-ZDUSSCGKSA-N -1 1 296.338 1.337 20 0 CDADMM FC(F)[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001592625339 1173933969 /nfs/dbraw/zinc/93/39/69/1173933969.db2.gz UKILWGTXUVWDAQ-SSDOTTSWSA-N -1 1 266.255 1.353 20 0 CDADMM FC(F)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001592625339 1173933973 /nfs/dbraw/zinc/93/39/73/1173933973.db2.gz UKILWGTXUVWDAQ-SSDOTTSWSA-N -1 1 266.255 1.353 20 0 CDADMM F[C@@H]1CCCN(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001592631792 1173940625 /nfs/dbraw/zinc/94/06/25/1173940625.db2.gz XLMPHGIUMZBNDB-SSDOTTSWSA-N -1 1 268.321 1.257 20 0 CDADMM F[C@@H]1CCCN(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001592631792 1173940629 /nfs/dbraw/zinc/94/06/29/1173940629.db2.gz XLMPHGIUMZBNDB-SSDOTTSWSA-N -1 1 268.321 1.257 20 0 CDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)C1(CF)CCC1 ZINC001593147543 1174025547 /nfs/dbraw/zinc/02/55/47/1174025547.db2.gz ZGYCUPZKAUZHHT-UHFFFAOYSA-N -1 1 290.302 1.018 20 0 CDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)C1(CF)CCC1 ZINC001593147543 1174025555 /nfs/dbraw/zinc/02/55/55/1174025555.db2.gz ZGYCUPZKAUZHHT-UHFFFAOYSA-N -1 1 290.302 1.018 20 0 CDADMM O=C([N-]Oc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCC12CC2 ZINC001593170377 1174030525 /nfs/dbraw/zinc/03/05/25/1174030525.db2.gz GYWVWCIPFYVICB-LBPRGKRZSA-N -1 1 299.334 1.857 20 0 CDADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@@H]1CC=CCC1 ZINC001593196456 1174031532 /nfs/dbraw/zinc/03/15/32/1174031532.db2.gz OWDWPNZQYZMNED-SECBINFHSA-N -1 1 299.338 1.762 20 0 CDADMM O=C(Nc1ccc(CCO)cc1)c1coc(-c2nnn[n-]2)c1 ZINC001593225958 1174037467 /nfs/dbraw/zinc/03/74/67/1174037467.db2.gz CPJNDAOQAXSLAO-UHFFFAOYSA-N -1 1 299.290 1.247 20 0 CDADMM O=C(Nc1ccc(CCO)cc1)c1coc(-c2nn[n-]n2)c1 ZINC001593225958 1174037473 /nfs/dbraw/zinc/03/74/73/1174037473.db2.gz CPJNDAOQAXSLAO-UHFFFAOYSA-N -1 1 299.290 1.247 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)NC1CCCC1 ZINC001593256397 1174043006 /nfs/dbraw/zinc/04/30/06/1174043006.db2.gz RYWBIJRWKSOLHJ-UHFFFAOYSA-N -1 1 273.300 1.326 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)NC1CCCC1 ZINC001593256397 1174043011 /nfs/dbraw/zinc/04/30/11/1174043011.db2.gz RYWBIJRWKSOLHJ-UHFFFAOYSA-N -1 1 273.300 1.326 20 0 CDADMM O=C(OCCCC(F)(F)F)c1ccc(-c2nn[n-]n2)o1 ZINC001593287414 1174054935 /nfs/dbraw/zinc/05/49/35/1174054935.db2.gz JLKXLWZTQQUJEO-UHFFFAOYSA-N -1 1 290.201 1.959 20 0 CDADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@@H]1CCCCS1 ZINC001593297332 1174058426 /nfs/dbraw/zinc/05/84/26/1174058426.db2.gz GCNLTVWQLVCUPL-JTQLQIEISA-N -1 1 294.336 1.789 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@@H]1CCCCS1 ZINC001593297332 1174058431 /nfs/dbraw/zinc/05/84/31/1174058431.db2.gz GCNLTVWQLVCUPL-JTQLQIEISA-N -1 1 294.336 1.789 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1CC[C@@H]1CCCC1(F)F ZINC001593493121 1174087372 /nfs/dbraw/zinc/08/73/72/1174087372.db2.gz YXRXQSRLEAAJHD-VIFPVBQESA-N -1 1 295.293 1.854 20 0 CDADMM Oc1ccc(CCNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001593540244 1174111403 /nfs/dbraw/zinc/11/14/03/1174111403.db2.gz BKROWGUJOCCCEN-UHFFFAOYSA-N -1 1 283.295 1.017 20 0 CDADMM Oc1ccc(CCNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001593540244 1174111406 /nfs/dbraw/zinc/11/14/06/1174111406.db2.gz BKROWGUJOCCCEN-UHFFFAOYSA-N -1 1 283.295 1.017 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC001593550500 1174121123 /nfs/dbraw/zinc/12/11/23/1174121123.db2.gz WTZJUYYBICXOAL-NEPJUHHUSA-N -1 1 286.339 1.410 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC001593550500 1174121128 /nfs/dbraw/zinc/12/11/28/1174121128.db2.gz WTZJUYYBICXOAL-NEPJUHHUSA-N -1 1 286.339 1.410 20 0 CDADMM c1[nH]nc(NCc2cccc3n[nH]cc32)c1-c1nn[n-]n1 ZINC001593554953 1174129454 /nfs/dbraw/zinc/12/94/54/1174129454.db2.gz XCVVCBKNAXJHER-UHFFFAOYSA-N -1 1 281.283 1.078 20 0 CDADMM c1cc(NC[C@@H]2C[C@H]3CCC[C@@H]3O2)cc(-c2nnn[n-]2)n1 ZINC001593557981 1174132549 /nfs/dbraw/zinc/13/25/49/1174132549.db2.gz FIXIPKLRCLZHJG-CDMKHQONSA-N -1 1 286.339 1.053 20 0 CDADMM c1cc(NC[C@@H]2C[C@H]3CCC[C@@H]3O2)cc(-c2nn[n-]n2)n1 ZINC001593557981 1174132556 /nfs/dbraw/zinc/13/25/56/1174132556.db2.gz FIXIPKLRCLZHJG-CDMKHQONSA-N -1 1 286.339 1.053 20 0 CDADMM c1cc2c(c(CNc3cccc(-c4nnn[n-]4)n3)c1)OCC2 ZINC001593561477 1174139351 /nfs/dbraw/zinc/13/93/51/1174139351.db2.gz RUNSVKDPUCNOMF-UHFFFAOYSA-N -1 1 294.318 1.809 20 0 CDADMM c1cc2c(c(CNc3cccc(-c4nn[n-]n4)n3)c1)OCC2 ZINC001593561477 1174139358 /nfs/dbraw/zinc/13/93/58/1174139358.db2.gz RUNSVKDPUCNOMF-UHFFFAOYSA-N -1 1 294.318 1.809 20 0 CDADMM c1c(-c2nn[n-]n2)nnn1C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001593570737 1174143736 /nfs/dbraw/zinc/14/37/36/1174143736.db2.gz IHLXHZXWOVGADC-WCQYABFASA-N -1 1 297.322 1.379 20 0 CDADMM c1ccc2c(c1)OC[C@@H]2CNc1ncncc1-c1nn[n-]n1 ZINC001593579224 1174145033 /nfs/dbraw/zinc/14/50/33/1174145033.db2.gz CYMWJPKONPVUEI-VIFPVBQESA-N -1 1 295.306 1.245 20 0 CDADMM c1nc(-c2nn[n-]n2)nn1Cc1cnc2ccccc2c1 ZINC001593581514 1174147856 /nfs/dbraw/zinc/14/78/56/1174147856.db2.gz OMAGARAPEODZLL-UHFFFAOYSA-N -1 1 278.279 1.055 20 0 CDADMM c1ccc2c(c1)SC[C@@H]2Nc1ncncc1-c1nn[n-]n1 ZINC001593580322 1174148005 /nfs/dbraw/zinc/14/80/05/1174148005.db2.gz TYANTLHPDHIZSF-JTQLQIEISA-N -1 1 297.347 1.916 20 0 CDADMM c1cnc([C@@H]2CCN(c3ccnc(-c4nnn[n-]4)c3)C2)cn1 ZINC001593583450 1174149277 /nfs/dbraw/zinc/14/92/77/1174149277.db2.gz DCLCHHVNPMAKEP-SNVBAGLBSA-N -1 1 294.322 1.046 20 0 CDADMM c1cnc([C@@H]2CCN(c3ccnc(-c4nn[n-]n4)c3)C2)cn1 ZINC001593583450 1174149280 /nfs/dbraw/zinc/14/92/80/1174149280.db2.gz DCLCHHVNPMAKEP-SNVBAGLBSA-N -1 1 294.322 1.046 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OC[C@H]2CCC3(CCC3)O2)c1 ZINC001593583729 1174149306 /nfs/dbraw/zinc/14/93/06/1174149306.db2.gz FMBCRGFNOZGXNI-SNVBAGLBSA-N -1 1 287.323 1.742 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OC[C@H]2CCC3(CCC3)O2)c1 ZINC001593583729 1174149310 /nfs/dbraw/zinc/14/93/10/1174149310.db2.gz FMBCRGFNOZGXNI-SNVBAGLBSA-N -1 1 287.323 1.742 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N2C[C@@H]3CCCC[C@H]3C2)c1 ZINC001593582895 1174149318 /nfs/dbraw/zinc/14/93/18/1174149318.db2.gz DTUUDVMQWXKFRY-QWRGUYRKSA-N -1 1 270.340 1.888 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N2C[C@@H]3CCCC[C@H]3C2)c1 ZINC001593582895 1174149324 /nfs/dbraw/zinc/14/93/24/1174149324.db2.gz DTUUDVMQWXKFRY-QWRGUYRKSA-N -1 1 270.340 1.888 20 0 CDADMM c1cc(CCCNc2nccnc2-c2nnn[n-]2)cs1 ZINC001593585494 1174152388 /nfs/dbraw/zinc/15/23/88/1174152388.db2.gz UTHFAIIOBIRVRB-UHFFFAOYSA-N -1 1 287.352 1.763 20 0 CDADMM c1cc(CCCNc2nccnc2-c2nn[n-]n2)cs1 ZINC001593585494 1174152392 /nfs/dbraw/zinc/15/23/92/1174152392.db2.gz UTHFAIIOBIRVRB-UHFFFAOYSA-N -1 1 287.352 1.763 20 0 CDADMM c1cncc([C@@H]2C[C@H]2CNc2nccnc2-c2nnn[n-]2)c1 ZINC001593587694 1174155475 /nfs/dbraw/zinc/15/54/75/1174155475.db2.gz MMOCDRDDKPUWSM-QWRGUYRKSA-N -1 1 294.322 1.267 20 0 CDADMM c1cncc([C@@H]2C[C@H]2CNc2nccnc2-c2nn[n-]n2)c1 ZINC001593587694 1174155481 /nfs/dbraw/zinc/15/54/81/1174155481.db2.gz MMOCDRDDKPUWSM-QWRGUYRKSA-N -1 1 294.322 1.267 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001593590297 1174157349 /nfs/dbraw/zinc/15/73/49/1174157349.db2.gz NNVNUIHMERGAPN-BBBLOLIVSA-N -1 1 271.328 1.505 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001593590297 1174157352 /nfs/dbraw/zinc/15/73/52/1174157352.db2.gz NNVNUIHMERGAPN-BBBLOLIVSA-N -1 1 271.328 1.505 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1Sc1nc2c([nH]1)CCC2 ZINC001593593954 1174161777 /nfs/dbraw/zinc/16/17/77/1174161777.db2.gz XQFCJUBXLOHLAG-UHFFFAOYSA-N -1 1 286.324 1.020 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1Sc1nc2c([nH]1)CCC2 ZINC001593593954 1174161781 /nfs/dbraw/zinc/16/17/81/1174161781.db2.gz XQFCJUBXLOHLAG-UHFFFAOYSA-N -1 1 286.324 1.020 20 0 CDADMM COC(=O)C1(N(C)C/C(C)=C\C(=O)[O-])CCCC1 ZINC001598721582 1174319081 /nfs/dbraw/zinc/31/90/81/1174319081.db2.gz YFFVZATZLWRQSO-NTMALXAHSA-N -1 1 255.314 1.435 20 0 CDADMM Cc1cnc(CN[C@]2(CC(=O)[O-])CCCOC2)s1 ZINC001600621322 1174528578 /nfs/dbraw/zinc/52/85/78/1174528578.db2.gz RZSZZLMMPRHJMR-LBPRGKRZSA-N -1 1 270.354 1.565 20 0 CDADMM Cc1cncc(CN2CCC([C@H](O)C(=O)[O-])CC2)c1 ZINC001600627315 1174539459 /nfs/dbraw/zinc/53/94/59/1174539459.db2.gz JVDAPMZCCOHQKY-ZDUSSCGKSA-N -1 1 264.325 1.048 20 0 CDADMM Cc1oc(CN(C)C[C@H]2CCc3ncnn32)cc1C(=O)[O-] ZINC001600842323 1174638447 /nfs/dbraw/zinc/63/84/47/1174638447.db2.gz ITTZIYQAYJLTPI-SNVBAGLBSA-N -1 1 290.323 1.497 20 0 CDADMM Cn1cc(CNCc2cccc3c2OCO3)cc1C(=O)[O-] ZINC001600954700 1174678299 /nfs/dbraw/zinc/67/82/99/1174678299.db2.gz KKZIGWPWIZWJCC-UHFFFAOYSA-N -1 1 288.303 1.742 20 0 CDADMM Cn1cc(NC(=O)NCCN2CC=CCC2)cc1C(=O)[O-] ZINC001600963577 1174682491 /nfs/dbraw/zinc/68/24/91/1174682491.db2.gz GUMUKZFLUMBHCO-UHFFFAOYSA-N -1 1 292.339 1.107 20 0 CDADMM Cn1nccc1CN1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001601040052 1174712420 /nfs/dbraw/zinc/71/24/20/1174712420.db2.gz YTGSGAXVMGETCG-SECBINFHSA-N -1 1 292.364 1.564 20 0 CDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](F)c1ccccc1 ZINC001601566132 1174901867 /nfs/dbraw/zinc/90/18/67/1174901867.db2.gz XOLQIYLOMZLMAA-RYUDHWBXSA-N -1 1 291.282 1.232 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2cccc3[nH]nnc32)c[nH]1 ZINC001601619770 1174914165 /nfs/dbraw/zinc/91/41/65/1174914165.db2.gz DZNQKWUURIYCJQ-UHFFFAOYSA-N -1 1 271.236 1.237 20 0 CDADMM O=C([O-])[C@@H]1[C@H](CN2CCn3cccc3C2)C1(F)F ZINC001601747332 1174979839 /nfs/dbraw/zinc/97/98/39/1174979839.db2.gz CRWIHODYFJLWRP-UWVGGRQHSA-N -1 1 256.252 1.270 20 0 CDADMM O=C([O-])[C@@H]1CC(=O)N(CN2CC[C@H](c3ccccc3)C2)C1 ZINC001601759516 1174992981 /nfs/dbraw/zinc/99/29/81/1174992981.db2.gz RHNAVUISGYRUGD-UONOGXRCSA-N -1 1 288.347 1.367 20 0 CDADMM O=C([O-])[C@H]1C[C@H](O)CN(c2cc[nH+]c3c([O-])cccc23)C1 ZINC001601769948 1174997084 /nfs/dbraw/zinc/99/70/84/1174997084.db2.gz RFSQVKLOZVYHGZ-UWVGGRQHSA-N -1 1 288.303 1.212 20 0 CDADMM O=C([O-])C[C@@H](NC(=O)c1cc2[nH]cnc2cc1F)C1CC1 ZINC001601903812 1175059540 /nfs/dbraw/zinc/05/95/40/1175059540.db2.gz GPVCSVLOWOFUOB-SNVBAGLBSA-N -1 1 291.282 1.685 20 0 CDADMM O=C([O-])CC[N@@H+](CC[C@@H]1CCCC1(F)F)CC(=O)[O-] ZINC001602006364 1175108024 /nfs/dbraw/zinc/10/80/24/1175108024.db2.gz UQASHVUTOVCTQR-VIFPVBQESA-N -1 1 279.283 1.673 20 0 CDADMM O=C([O-])Cc1ccccc1CNC(=O)CN1CCCC1 ZINC001602145658 1175141423 /nfs/dbraw/zinc/14/14/23/1175141423.db2.gz VPQCGXVFZRGXFY-UHFFFAOYSA-N -1 1 276.336 1.026 20 0 CDADMM O=C([O-])[C@@H]1CN(Cc2ccon2)C[C@H]1c1ccc(O)cc1 ZINC001602189694 1175156008 /nfs/dbraw/zinc/15/60/08/1175156008.db2.gz NZSJFQQTIFZRBF-UONOGXRCSA-N -1 1 288.303 1.680 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(Cn3nc(Cl)c4ccccc43)C[C@@H]21 ZINC001602205869 1175163293 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CDADMM COc1ccc(-c2nc(SCc3nn[n-]n3)n[nH]2)cc1 ZINC000095191796 342430816 /nfs/dbraw/zinc/43/08/16/342430816.db2.gz HMSRJRYOSOSSNK-UHFFFAOYSA-N -1 1 289.324 1.286 20 0 CDADMM Cc1nnc(SCc2nn[n-]n2)n1Cc1ccccc1 ZINC000095215130 342431026 /nfs/dbraw/zinc/43/10/26/342431026.db2.gz ASOWYDIIYJHTEG-UHFFFAOYSA-N -1 1 287.352 1.440 20 0 CDADMM Cc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)c1nn[n-]n1 ZINC000095341259 342431641 /nfs/dbraw/zinc/43/16/41/342431641.db2.gz RAIFWWUQAFFRMX-UHFFFAOYSA-N -1 1 290.283 1.081 20 0 CDADMM Cc1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)s1 ZINC000095324704 342431753 /nfs/dbraw/zinc/43/17/53/342431753.db2.gz ZQJYDMJVWYGTMB-SECBINFHSA-N -1 1 277.353 1.589 20 0 CDADMM COC(=O)[C@H]1C[C@H](NC(=O)c2cc(F)ccc2[O-])C1 ZINC000598514353 343822245 /nfs/dbraw/zinc/82/22/45/343822245.db2.gz BXZMALCQIZTJTJ-XWEPSHTISA-N -1 1 267.256 1.213 20 0 CDADMM CN(C(=O)CCCc1nn[n-]n1)C1CCC(C)(C)CC1 ZINC000635670011 362341152 /nfs/dbraw/zinc/34/11/52/362341152.db2.gz JWIQSIKUIKUZEQ-UHFFFAOYSA-N -1 1 279.388 1.950 20 0 CDADMM COC(=O)c1ccc(-n2[n-]c3c(c2=O)[C@H](C)CC3)nc1 ZINC000601942200 344288550 /nfs/dbraw/zinc/28/85/50/344288550.db2.gz HQKLDQNUCVPQGW-PRHODGIISA-N -1 1 273.292 1.617 20 0 CDADMM CC(C)CSCCCNC(=O)CCCc1nn[n-]n1 ZINC000602128265 344355354 /nfs/dbraw/zinc/35/53/54/344355354.db2.gz ZTFNQPYBLGGXEM-UHFFFAOYSA-N -1 1 285.417 1.418 20 0 CDADMM O=S(=O)([N-]CCC1CC(O)C1)c1cc2ccccc2o1 ZINC000571359333 362440741 /nfs/dbraw/zinc/44/07/41/362440741.db2.gz YEJSQBWVUSJACL-UHFFFAOYSA-N -1 1 295.360 1.872 20 0 CDADMM Cc1ccccc1CNC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000164541153 362446107 /nfs/dbraw/zinc/44/61/07/362446107.db2.gz SYAXNBJKNPOHCT-AWEZNQCLSA-N -1 1 290.363 1.408 20 0 CDADMM Cc1cc(CNC(=O)N=c2[n-]nc(C3CC3)s2)n[nH]1 ZINC000603522000 344817183 /nfs/dbraw/zinc/81/71/83/344817183.db2.gz FLFNHNQOCHKLCU-UHFFFAOYSA-N -1 1 278.341 1.191 20 0 CDADMM CC(C)(Cc1ccccc1)C(=O)NCc1nn[n-]n1 ZINC000605128947 344968300 /nfs/dbraw/zinc/96/83/00/344968300.db2.gz VNQMBSNIAIXMMN-UHFFFAOYSA-N -1 1 259.313 1.085 20 0 CDADMM COc1ccc(F)cc1NC(=O)CCCc1nn[n-]n1 ZINC000635756307 362500025 /nfs/dbraw/zinc/50/00/25/362500025.db2.gz TVENDPGLGDRPNE-UHFFFAOYSA-N -1 1 279.275 1.309 20 0 CDADMM CCCC[C@H](C)C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000332389136 362500279 /nfs/dbraw/zinc/50/02/79/362500279.db2.gz QXFHVSYOHQGFCX-JTQLQIEISA-N -1 1 265.361 1.912 20 0 CDADMM O=C(CCSc1ccccc1F)NCc1nn[n-]n1 ZINC000044929172 345489670 /nfs/dbraw/zinc/48/96/70/345489670.db2.gz JSGVAAXANSHWJQ-UHFFFAOYSA-N -1 1 281.316 1.137 20 0 CDADMM CC(C)(C)[C@@H]1CCN(C(=O)CCCc2nn[n-]n2)C1 ZINC000635811370 362594563 /nfs/dbraw/zinc/59/45/63/362594563.db2.gz WSJDTZXWQHRGJQ-SNVBAGLBSA-N -1 1 265.361 1.417 20 0 CDADMM C[C@H]1COCC[C@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000332621108 362614883 /nfs/dbraw/zinc/61/48/83/362614883.db2.gz SCAAEMIKBOUGEO-GXSJLCMTSA-N -1 1 287.319 1.078 20 0 CDADMM CC[C@@H](C)[C@H](OC)C(=O)NCc1cc(=O)[n-]c(SC)n1 ZINC000640654957 362648486 /nfs/dbraw/zinc/64/84/86/362648486.db2.gz GDUCYLIIICUBHL-KCJUWKMLSA-N -1 1 299.396 1.581 20 0 CDADMM CSc1nc(CNC(=O)C(C)(C)C(F)F)cc(=O)[n-]1 ZINC000640655727 362655836 /nfs/dbraw/zinc/65/58/36/362655836.db2.gz QZWWCQIACBWMIN-UHFFFAOYSA-N -1 1 291.323 1.812 20 0 CDADMM CCC(CC)(C(=O)NCc1nn[n-]n1)c1ccccc1 ZINC000608477198 345765535 /nfs/dbraw/zinc/76/55/35/345765535.db2.gz SJKNBENXEDMXAS-UHFFFAOYSA-N -1 1 273.340 1.574 20 0 CDADMM C[C@@H]1CN(CCNC(=O)c2ccc([O-])c(F)c2)[C@@H](C)CO1 ZINC000617725392 345930240 /nfs/dbraw/zinc/93/02/40/345930240.db2.gz KUJWGHXOADYSIA-WDEREUQCSA-N -1 1 296.342 1.370 20 0 CDADMM Cc1nc(C(=O)[N-]c2nnc(C3CC3)s2)co1 ZINC000669944764 482543048 /nfs/dbraw/zinc/54/30/48/482543048.db2.gz HSLMNCPSHKALOS-UHFFFAOYSA-N -1 1 250.283 1.964 20 0 CDADMM C[C@@H]1CN(CCNC(=O)c2ccc([O-])cc2F)[C@@H](C)CO1 ZINC000617728107 345932958 /nfs/dbraw/zinc/93/29/58/345932958.db2.gz QBRKKBHSMWXQPV-WDEREUQCSA-N -1 1 296.342 1.370 20 0 CDADMM C[C@@H](O)CN(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000051839672 362684254 /nfs/dbraw/zinc/68/42/54/362684254.db2.gz 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/nfs/dbraw/zinc/11/66/34/348116634.db2.gz SOHOVFDUUNBIJJ-JOYOIKCWSA-N -1 1 299.330 1.195 20 0 CDADMM CCC(CC)CN(CC)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000352099317 362851307 /nfs/dbraw/zinc/85/13/07/362851307.db2.gz WHMCCRYQJSUDJQ-UHFFFAOYSA-N -1 1 297.355 1.795 20 0 CDADMM O=C(NCC1(O)CCCCC1)c1ncccc1[O-] ZINC000087039919 179386498 /nfs/dbraw/zinc/38/64/98/179386498.db2.gz ILLJXUAYOOHZLD-UHFFFAOYSA-N -1 1 250.298 1.212 20 0 CDADMM CC(C)[C@@H]1N(C(=O)CCCc2nn[n-]n2)CC12CCCC2 ZINC000636012129 362884147 /nfs/dbraw/zinc/88/41/47/362884147.db2.gz RZTUUHNLJMQZAS-AWEZNQCLSA-N -1 1 291.399 1.950 20 0 CDADMM C[C@H]1COCCN1CCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000333030886 362907810 /nfs/dbraw/zinc/90/78/10/362907810.db2.gz HMQCDRYBAXRPHJ-JTQLQIEISA-N -1 1 295.408 1.872 20 0 CDADMM CO[C@@H]1CCC[C@H](C(=O)Nc2c(C)[n-][nH]c2=O)C1 ZINC000615217360 348391947 /nfs/dbraw/zinc/39/19/47/348391947.db2.gz GKXXWVBJBRCUHP-DTWKUNHWSA-N -1 1 253.302 1.567 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)CO[C@H]1CCCC[C@@H]1C 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COC(=O)C[C@H]1CCCCN1C(=O)c1cncc([O-])c1 ZINC000111686380 350495023 /nfs/dbraw/zinc/49/50/23/350495023.db2.gz PUQOIPCKBQQACR-LLVKDONJSA-N -1 1 278.308 1.345 20 0 CDADMM Cc1cc(CC(=O)NOCCC(F)(F)F)n[nH]1 ZINC000275263123 365980335 /nfs/dbraw/zinc/98/03/35/365980335.db2.gz YXWCBNOIWYJJDZ-UHFFFAOYSA-N -1 1 251.208 1.261 20 0 CDADMM C[C@@H]1C[C@@H]1CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000486942800 365983238 /nfs/dbraw/zinc/98/32/38/365983238.db2.gz UITJRUHBVJMEPD-HTQZYQBOSA-N -1 1 284.337 1.024 20 0 CDADMM CO[C@H]1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000631620683 362999538 /nfs/dbraw/zinc/99/95/38/362999538.db2.gz CCLFMFNGKHPYSI-JTQLQIEISA-N -1 1 269.728 1.835 20 0 CDADMM CCc1cc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)[nH]n1 ZINC000622610059 351224233 /nfs/dbraw/zinc/22/42/33/351224233.db2.gz OMMBRTQRCHJIEH-LBPRGKRZSA-N -1 1 297.322 1.005 20 0 CDADMM C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1O ZINC000194744936 363058846 /nfs/dbraw/zinc/05/88/46/363058846.db2.gz YITNQZJGMFWYPV-SNVBAGLBSA-N -1 1 268.744 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/nfs/dbraw/zinc/14/10/92/601141092.db2.gz CNDWNBKGISJITD-GFCCVEGCSA-N -1 1 294.355 1.374 20 0 CDADMM CN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])Cc1ccc(F)cc1 ZINC000830785074 601147667 /nfs/dbraw/zinc/14/76/67/601147667.db2.gz GTLRSCGJESPVAM-QWHCGFSZSA-N -1 1 294.326 1.094 20 0 CDADMM CCC1(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)CC1 ZINC000829033340 601288697 /nfs/dbraw/zinc/28/86/97/601288697.db2.gz LMKYCJPTEXALRV-NSHDSACASA-N -1 1 268.357 1.184 20 0 CDADMM C[C@@H]1CN(CC(=O)Nc2ccsc2C(=O)[O-])C[C@H]1C ZINC000828439789 601429060 /nfs/dbraw/zinc/42/90/60/601429060.db2.gz JRXHZINHCXTKNT-RKDXNWHRSA-N -1 1 282.365 1.973 20 0 CDADMM O=C([O-])[C@@]1(F)CCN(Cc2cc3ccccc3[nH]c2=O)C1 ZINC000833176477 601445691 /nfs/dbraw/zinc/44/56/91/601445691.db2.gz ZHIOPESKWUTBLY-OAHLLOKOSA-N -1 1 290.294 1.939 20 0 CDADMM COC(=O)c1cc(NC(=O)[C@H](C)N(C)C)cc(C(=O)[O-])c1 ZINC000831306657 601447902 /nfs/dbraw/zinc/44/79/02/601447902.db2.gz ZCNSCSKCPGGKLR-QMMMGPOBSA-N -1 1 294.307 1.060 20 0 CDADMM CCc1nnc(CNC2(CC(=O)[O-])CCCCC2)o1 ZINC000830335634 601555210 /nfs/dbraw/zinc/55/52/10/601555210.db2.gz TZQRISWRLNHZHC-UHFFFAOYSA-N -1 1 267.329 1.899 20 0 CDADMM COC(=O)[C@H]1CCCN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000831108734 601647222 /nfs/dbraw/zinc/64/72/22/601647222.db2.gz XDNLCYSLZVQVJK-NSHDSACASA-N -1 1 295.310 1.909 20 0 CDADMM COC[C@@](C)(CC(=O)[O-])NCc1nc2cc(F)ccc2o1 ZINC000831584810 601650405 /nfs/dbraw/zinc/65/04/05/601650405.db2.gz HKTKEMDCBNRBGO-CQSZACIVSA-N -1 1 296.298 1.936 20 0 CDADMM CN(C(=O)CN[C@@H](C(=O)[O-])C(C)(C)C)C1CCCCC1 ZINC000830486314 601870889 /nfs/dbraw/zinc/87/08/89/601870889.db2.gz YBMLNOQVJVFQAG-ZDUSSCGKSA-N -1 1 284.400 1.866 20 0 CDADMM COC(=O)[C@@H](c1ccccc1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000831084438 601913241 /nfs/dbraw/zinc/91/32/41/601913241.db2.gz KRYWEXQVVJRNBR-IUODEOHRSA-N -1 1 277.320 1.697 20 0 CDADMM COC(=O)c1sccc1CN1CC[C@](C)(C(=O)[O-])C1 ZINC000831479863 601936222 /nfs/dbraw/zinc/93/62/22/601936222.db2.gz WHDVDCSFTVRXPP-ZDUSSCGKSA-N -1 1 283.349 1.831 20 0 CDADMM COc1ccc(NC(=O)CN2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000062936311 601938583 /nfs/dbraw/zinc/93/85/83/601938583.db2.gz BAWYWASTWPFZGK-OAHLLOKOSA-N -1 1 292.335 1.430 20 0 CDADMM CN(CCN1CCCC1=O)Cc1ccc(C(=O)[O-])s1 ZINC000830781154 601955535 /nfs/dbraw/zinc/95/55/35/601955535.db2.gz LYPXJCRWJKXTOP-UHFFFAOYSA-N -1 1 282.365 1.501 20 0 CDADMM C[C@@H](CC(=O)[O-])C(=O)N1CCN(C2CCCC2)CC1 ZINC000827264048 602087977 /nfs/dbraw/zinc/08/79/77/602087977.db2.gz VQXIYJBAOPDSGA-NSHDSACASA-N -1 1 268.357 1.184 20 0 CDADMM Cc1cnn(CCCCCn2ccnc2-c2nnn[n-]2)c1 ZINC000826320359 608014299 /nfs/dbraw/zinc/01/42/99/608014299.db2.gz NSFCIRQPKIKWQT-UHFFFAOYSA-N -1 1 286.343 1.439 20 0 CDADMM Cc1cnn(CCCCCn2ccnc2-c2nn[n-]n2)c1 ZINC000826320359 608014300 /nfs/dbraw/zinc/01/43/00/608014300.db2.gz NSFCIRQPKIKWQT-UHFFFAOYSA-N -1 1 286.343 1.439 20 0 CDADMM CC[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(C)c1)N(C)C ZINC000820261574 602246782 /nfs/dbraw/zinc/24/67/82/602246782.db2.gz RRVOBZPKAYKQSC-LBPRGKRZSA-N -1 1 264.325 1.972 20 0 CDADMM CC[C@@H](C(=O)Nc1ccc(CCC(=O)[O-])cc1)N(C)C ZINC000828586648 602247884 /nfs/dbraw/zinc/24/78/84/602247884.db2.gz HRKDCJLYOGYWKT-ZDUSSCGKSA-N -1 1 278.352 1.983 20 0 CDADMM CCC(CC)(NC(=O)CN1CCC(C)CC1)C(=O)[O-] ZINC000828828855 602390475 /nfs/dbraw/zinc/39/04/75/602390475.db2.gz DXLILQCZUXGQPD-UHFFFAOYSA-N -1 1 270.373 1.478 20 0 CDADMM COCc1nc(CNC2CCN(C(=O)[O-])CC2)cs1 ZINC000829049643 603161767 /nfs/dbraw/zinc/16/17/67/603161767.db2.gz JPLGTDBTPGEFTB-UHFFFAOYSA-N -1 1 285.369 1.522 20 0 CDADMM O=C([O-])c1ccc(C(=O)NCc2cnc[nH]2)cc1F ZINC000833143891 604283484 /nfs/dbraw/zinc/28/34/84/604283484.db2.gz FQWHMCOOAJUOHY-UHFFFAOYSA-N -1 1 263.228 1.177 20 0 CDADMM CC(C)OC[C@H](C(=O)[O-])N(C)C[C@@H](O)c1ccccc1 ZINC000827015246 604398342 /nfs/dbraw/zinc/39/83/42/604398342.db2.gz BBSQFHZQYYEPMG-ZIAGYGMSSA-N -1 1 281.352 1.530 20 0 CDADMM CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc2[nH]nnc2c1 ZINC000824212038 604525092 /nfs/dbraw/zinc/52/50/92/604525092.db2.gz XMLXBDIEWSWNJA-LLVKDONJSA-N -1 1 291.311 1.579 20 0 CDADMM C[C@@H]1CN(C(=O)CC(C)(C)CC(=O)[O-])[C@@H](C)CN1C ZINC000833617586 604613119 /nfs/dbraw/zinc/61/31/19/604613119.db2.gz FLFYIBKMPGIQLT-MNOVXSKESA-N -1 1 270.373 1.428 20 0 CDADMM CCCOC(=O)[C@H](C)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000829519254 604746182 /nfs/dbraw/zinc/74/61/82/604746182.db2.gz AJUOAXGBNNIDRU-UWVGGRQHSA-N -1 1 257.330 1.513 20 0 CDADMM O=C([O-])[C@@H]1CC12CCN(CN1C[C@H](C3CC3)CC1=O)CC2 ZINC000833771767 605003039 /nfs/dbraw/zinc/00/30/39/605003039.db2.gz PFHRSOHNIDCSFD-OLZOCXBDSA-N -1 1 292.379 1.389 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC1CCCC1 ZINC000833625680 605046763 /nfs/dbraw/zinc/04/67/63/605046763.db2.gz OCNBZZJEKONEHK-GFCCVEGCSA-N -1 1 297.399 1.367 20 0 CDADMM CCN1C[C@H](C)N(C(=O)C2CCC(C(=O)[O-])CC2)C[C@H]1C ZINC000833658760 605091979 /nfs/dbraw/zinc/09/19/79/605091979.db2.gz VDMJSUWLJAOJPW-KBHBFKLGSA-N -1 1 296.411 1.819 20 0 CDADMM CC1(c2ccccc2)CCN(CC(=O)NCC(=O)[O-])CC1 ZINC000820214764 605150317 /nfs/dbraw/zinc/15/03/17/605150317.db2.gz GNPJHNZCTDECCJ-UHFFFAOYSA-N -1 1 290.363 1.241 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(C)CCCC1 ZINC000833618729 605160962 /nfs/dbraw/zinc/16/09/62/605160962.db2.gz FDZIXODOVCZUBL-LBPRGKRZSA-N -1 1 282.384 1.574 20 0 CDADMM CCc1nn(C)cc1CN1CCSC[C@@H]1CC(=O)[O-] ZINC000169024337 605243564 /nfs/dbraw/zinc/24/35/64/605243564.db2.gz QVDONTMNQVOFFN-NSHDSACASA-N -1 1 283.397 1.375 20 0 CDADMM CC[C@H]1CC[C@@H](C)N1c1ccc(-c2nn[n-]n2)nn1 ZINC000825195289 608237593 /nfs/dbraw/zinc/23/75/93/608237593.db2.gz VUPZGXCZJWJIPQ-BDAKNGLRSA-N -1 1 259.317 1.424 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CN2CC[C@@H](C)[C@@H](F)C2)O1 ZINC000833584821 605391135 /nfs/dbraw/zinc/39/11/35/605391135.db2.gz RMAKRSXLWKGLAJ-UISBYWKRSA-N -1 1 257.305 1.814 20 0 CDADMM CCOCCN(C)Cc1c(C)nn(CCC(=O)[O-])c1C ZINC000833661519 605546178 /nfs/dbraw/zinc/54/61/78/605546178.db2.gz DWXGTLMHVAYBEK-UHFFFAOYSA-N -1 1 283.372 1.443 20 0 CDADMM OC1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CCC1 ZINC000095235051 606031384 /nfs/dbraw/zinc/03/13/84/606031384.db2.gz ZPXXOMPCZIKSNZ-UHFFFAOYSA-N -1 1 280.719 1.242 20 0 CDADMM OC1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CCC1 ZINC000095235051 606031390 /nfs/dbraw/zinc/03/13/90/606031390.db2.gz ZPXXOMPCZIKSNZ-UHFFFAOYSA-N -1 1 280.719 1.242 20 0 CDADMM CC(C)[C@@H](C)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820016393 606167397 /nfs/dbraw/zinc/16/73/97/606167397.db2.gz LPWINNYWHYUQTE-MRVPVSSYSA-N -1 1 292.347 1.108 20 0 CDADMM CC(C)[C@@H](C)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820016393 606167398 /nfs/dbraw/zinc/16/73/98/606167398.db2.gz LPWINNYWHYUQTE-MRVPVSSYSA-N -1 1 292.347 1.108 20 0 CDADMM CC[C@@H](C)CN(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820869897 606169480 /nfs/dbraw/zinc/16/94/80/606169480.db2.gz JUURKUZDHVNWGS-MRVPVSSYSA-N -1 1 292.347 1.110 20 0 CDADMM CC[C@@H](C)CN(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820869897 606169481 /nfs/dbraw/zinc/16/94/81/606169481.db2.gz JUURKUZDHVNWGS-MRVPVSSYSA-N -1 1 292.347 1.110 20 0 CDADMM O=C(OCC[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)s1 ZINC000823400265 606181296 /nfs/dbraw/zinc/18/12/96/606181296.db2.gz AJHKLDISAXJAGN-MRVPVSSYSA-N -1 1 294.336 1.654 20 0 CDADMM O=C(OCC[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)s1 ZINC000823400265 606181298 /nfs/dbraw/zinc/18/12/98/606181298.db2.gz AJHKLDISAXJAGN-MRVPVSSYSA-N -1 1 294.336 1.654 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc(F)c1 ZINC000823294971 606196473 /nfs/dbraw/zinc/19/64/73/606196473.db2.gz ZZKNXZVAAIAXLV-UHFFFAOYSA-N -1 1 299.265 1.964 20 0 CDADMM CC(C)SCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820183922 606297395 /nfs/dbraw/zinc/29/73/95/606297395.db2.gz MNTPJDPADAJUMV-UHFFFAOYSA-N -1 1 293.352 1.652 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000823289169 606531506 /nfs/dbraw/zinc/53/15/06/606531506.db2.gz DZRHULIKBQHULL-UHFFFAOYSA-N -1 1 289.686 1.496 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000823289169 606531508 /nfs/dbraw/zinc/53/15/08/606531508.db2.gz DZRHULIKBQHULL-UHFFFAOYSA-N -1 1 289.686 1.496 20 0 CDADMM CC1(C)C[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820590464 606559601 /nfs/dbraw/zinc/55/96/01/606559601.db2.gz UKWQVPMKFPEUQI-SSDOTTSWSA-N -1 1 277.353 1.704 20 0 CDADMM CC1(C)C[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820590464 606559604 /nfs/dbraw/zinc/55/96/04/606559604.db2.gz UKWQVPMKFPEUQI-SSDOTTSWSA-N -1 1 277.353 1.704 20 0 CDADMM C[C@@]1(COC(=O)c2ccc(-c3nnn[n-]3)s2)CCCO1 ZINC000820623372 606898698 /nfs/dbraw/zinc/89/86/98/606898698.db2.gz NRPPDOGSQUPWFE-LBPRGKRZSA-N -1 1 294.336 1.654 20 0 CDADMM C[C@@]1(COC(=O)c2ccc(-c3nn[n-]n3)s2)CCCO1 ZINC000820623372 606898700 /nfs/dbraw/zinc/89/87/00/606898700.db2.gz NRPPDOGSQUPWFE-LBPRGKRZSA-N -1 1 294.336 1.654 20 0 CDADMM C[C@H]1CC[C@@H](CC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000820685317 607042705 /nfs/dbraw/zinc/04/27/05/607042705.db2.gz UBEKKOCCUVQRPA-JGVFFNPUSA-N -1 1 275.316 1.112 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccnc(F)c1 ZINC000823382869 607105316 /nfs/dbraw/zinc/10/53/16/607105316.db2.gz FVOLEQQTMAEHGE-UHFFFAOYSA-N -1 1 291.271 1.110 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccnc(F)c1 ZINC000823382869 607105318 /nfs/dbraw/zinc/10/53/18/607105318.db2.gz FVOLEQQTMAEHGE-UHFFFAOYSA-N -1 1 291.271 1.110 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cscn1 ZINC000823383033 607108845 /nfs/dbraw/zinc/10/88/45/607108845.db2.gz JULWBQMUIXGDRN-UHFFFAOYSA-N -1 1 279.310 1.032 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cscn1 ZINC000823383033 607108847 /nfs/dbraw/zinc/10/88/47/607108847.db2.gz JULWBQMUIXGDRN-UHFFFAOYSA-N -1 1 279.310 1.032 20 0 CDADMM CCOCCCOc1cccc(F)c1-c1nnn[n-]1 ZINC000825594986 607864470 /nfs/dbraw/zinc/86/44/70/607864470.db2.gz SSCSGGBVMIANJB-UHFFFAOYSA-N -1 1 266.276 1.811 20 0 CDADMM CCOCCCOc1cccc(F)c1-c1nn[n-]n1 ZINC000825594986 607864471 /nfs/dbraw/zinc/86/44/71/607864471.db2.gz SSCSGGBVMIANJB-UHFFFAOYSA-N -1 1 266.276 1.811 20 0 CDADMM O=C1Cc2cc(Nc3cccc(-c4nnn[n-]4)n3)ccc2N1 ZINC000826482188 607900292 /nfs/dbraw/zinc/90/02/92/607900292.db2.gz VBVDAKROAWTAFY-UHFFFAOYSA-N -1 1 293.290 1.500 20 0 CDADMM O=C1Cc2cc(Nc3cccc(-c4nn[n-]n4)n3)ccc2N1 ZINC000826482188 607900293 /nfs/dbraw/zinc/90/02/93/607900293.db2.gz VBVDAKROAWTAFY-UHFFFAOYSA-N -1 1 293.290 1.500 20 0 CDADMM c1[nH]nc2c1CCC[C@@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000826517302 607902624 /nfs/dbraw/zinc/90/26/24/607902624.db2.gz YCTHMLMFSPXAAV-VIFPVBQESA-N -1 1 282.311 1.474 20 0 CDADMM CN(CC(F)F)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825901446 608182181 /nfs/dbraw/zinc/18/21/81/608182181.db2.gz FSKGKSKOWHGSRN-UHFFFAOYSA-N -1 1 280.691 1.678 20 0 CDADMM CN(CC(F)F)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825901446 608182183 /nfs/dbraw/zinc/18/21/83/608182183.db2.gz FSKGKSKOWHGSRN-UHFFFAOYSA-N -1 1 280.691 1.678 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1N[C@H]1CC12CCCCC2 ZINC000826514406 608195112 /nfs/dbraw/zinc/19/51/12/608195112.db2.gz QKCXNACNDQQUTQ-JTQLQIEISA-N -1 1 271.328 1.791 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1N[C@H]1CC12CCCCC2 ZINC000826514406 608195113 /nfs/dbraw/zinc/19/51/13/608195113.db2.gz QKCXNACNDQQUTQ-JTQLQIEISA-N -1 1 271.328 1.791 20 0 CDADMM C[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC12CCC2 ZINC000824962725 608196552 /nfs/dbraw/zinc/19/65/52/608196552.db2.gz XESGOIZPWCEVIJ-JTQLQIEISA-N -1 1 285.355 1.673 20 0 CDADMM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC12CCC2 ZINC000824962725 608196554 /nfs/dbraw/zinc/19/65/54/608196554.db2.gz XESGOIZPWCEVIJ-JTQLQIEISA-N -1 1 285.355 1.673 20 0 CDADMM CC[C@H]1CC[C@@H](C)N1c1ccc(-c2nnn[n-]2)nn1 ZINC000825195289 608237592 /nfs/dbraw/zinc/23/75/92/608237592.db2.gz VUPZGXCZJWJIPQ-BDAKNGLRSA-N -1 1 259.317 1.424 20 0 CDADMM C[C@@H](c1ccccc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824769805 608391478 /nfs/dbraw/zinc/39/14/78/608391478.db2.gz BDAYCSONNSYTSG-JTQLQIEISA-N -1 1 281.323 1.854 20 0 CDADMM C[C@@H](c1ccccc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824769805 608391481 /nfs/dbraw/zinc/39/14/81/608391481.db2.gz BDAYCSONNSYTSG-JTQLQIEISA-N -1 1 281.323 1.854 20 0 CDADMM Cc1cc(N(C)C)ccc1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826269045 608398797 /nfs/dbraw/zinc/39/87/97/608398797.db2.gz YRCLGCTWBFTIKA-UHFFFAOYSA-N -1 1 296.338 1.775 20 0 CDADMM Cc1cc(N(C)C)ccc1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826269045 608398799 /nfs/dbraw/zinc/39/87/99/608398799.db2.gz YRCLGCTWBFTIKA-UHFFFAOYSA-N -1 1 296.338 1.775 20 0 CDADMM Clc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC000826352406 608401747 /nfs/dbraw/zinc/40/17/47/608401747.db2.gz ZNIPWFYASSVOHE-UHFFFAOYSA-N -1 1 288.702 1.317 20 0 CDADMM Clc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC000826352406 608401750 /nfs/dbraw/zinc/40/17/50/608401750.db2.gz ZNIPWFYASSVOHE-UHFFFAOYSA-N -1 1 288.702 1.317 20 0 CDADMM Fc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)c(F)c1 ZINC000826374929 608407074 /nfs/dbraw/zinc/40/70/74/608407074.db2.gz SEEIKCNLUIBVKQ-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM Fc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)c(F)c1 ZINC000826374929 608407075 /nfs/dbraw/zinc/40/70/75/608407075.db2.gz SEEIKCNLUIBVKQ-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM C[C@@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC[C@H]1O ZINC000824832791 608428372 /nfs/dbraw/zinc/42/83/72/608428372.db2.gz WEQFSEKOPGUMHS-MFKMUULPSA-N -1 1 289.343 1.010 20 0 CDADMM C[C@@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC[C@H]1O ZINC000824832791 608428374 /nfs/dbraw/zinc/42/83/74/608428374.db2.gz WEQFSEKOPGUMHS-MFKMUULPSA-N -1 1 289.343 1.010 20 0 CDADMM CC(C)[C@H]1OCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824229146 608428688 /nfs/dbraw/zinc/42/86/88/608428688.db2.gz OLFLAVYYXHZPII-BXKDBHETSA-N -1 1 289.343 1.130 20 0 CDADMM CC(C)[C@H]1OCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824229146 608428689 /nfs/dbraw/zinc/42/86/89/608428689.db2.gz OLFLAVYYXHZPII-BXKDBHETSA-N -1 1 289.343 1.130 20 0 CDADMM Fc1ccc2c(c1)CN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000826375996 608434512 /nfs/dbraw/zinc/43/45/12/608434512.db2.gz KGJIPTIOKISXCI-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM Fc1ccc2c(c1)CN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000826375996 608434514 /nfs/dbraw/zinc/43/45/14/608434514.db2.gz KGJIPTIOKISXCI-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM Cn1ncc(Nc2ccc(-c3nnn[n-]3)nn2)c1C(F)F ZINC000826366770 608439576 /nfs/dbraw/zinc/43/95/76/608439576.db2.gz WUQFGOLGPICTNN-UHFFFAOYSA-N -1 1 293.241 1.071 20 0 CDADMM Cn1ncc(Nc2ccc(-c3nn[n-]n3)nn2)c1C(F)F ZINC000826366770 608439578 /nfs/dbraw/zinc/43/95/78/608439578.db2.gz WUQFGOLGPICTNN-UHFFFAOYSA-N -1 1 293.241 1.071 20 0 CDADMM CCO[C@@H]1CCCN(c2nc(-c3nnn[n-]3)ccc2C)C1 ZINC000825581481 608543454 /nfs/dbraw/zinc/54/34/54/608543454.db2.gz BENYNBYVWXYXPB-LLVKDONJSA-N -1 1 288.355 1.575 20 0 CDADMM CCO[C@@H]1CCCN(c2nc(-c3nn[n-]n3)ccc2C)C1 ZINC000825581481 608543456 /nfs/dbraw/zinc/54/34/56/608543456.db2.gz BENYNBYVWXYXPB-LLVKDONJSA-N -1 1 288.355 1.575 20 0 CDADMM C[C@@H]1CO[C@@H](C)CN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000824984780 608561562 /nfs/dbraw/zinc/56/15/62/608561562.db2.gz NOSVDJWYJFLBPZ-BDAKNGLRSA-N -1 1 263.301 1.069 20 0 CDADMM C[C@@H]1CO[C@@H](C)CN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000824984780 608561564 /nfs/dbraw/zinc/56/15/64/608561564.db2.gz NOSVDJWYJFLBPZ-BDAKNGLRSA-N -1 1 263.301 1.069 20 0 CDADMM CC(=O)c1ccccc1OCCn1ccnc1-c1nnn[n-]1 ZINC000824029507 608893697 /nfs/dbraw/zinc/89/36/97/608893697.db2.gz LNLBFNTUIHPXRM-UHFFFAOYSA-N -1 1 298.306 1.345 20 0 CDADMM CC(=O)c1ccccc1OCCn1ccnc1-c1nn[n-]n1 ZINC000824029507 608893699 /nfs/dbraw/zinc/89/36/99/608893699.db2.gz LNLBFNTUIHPXRM-UHFFFAOYSA-N -1 1 298.306 1.345 20 0 CDADMM C[C@H]1CCC[C@@H](Cn2cccc(-c3nn[n-]n3)c2=O)C1 ZINC000824925101 609377485 /nfs/dbraw/zinc/37/74/85/609377485.db2.gz AQDXMUOLUUSUCA-WDEREUQCSA-N -1 1 273.340 1.855 20 0 CDADMM C[C@H]1OCC[C@@]1(C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000825013302 609592341 /nfs/dbraw/zinc/59/23/41/609592341.db2.gz OPMUTAZQRFHWKQ-JMCQJSRRSA-N -1 1 294.746 1.895 20 0 CDADMM C[C@H]1OCC[C@@]1(C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000825013302 609592343 /nfs/dbraw/zinc/59/23/43/609592343.db2.gz OPMUTAZQRFHWKQ-JMCQJSRRSA-N -1 1 294.746 1.895 20 0 CDADMM Cc1cccn2cc(CC(=O)[N-]OC/C=C/Cl)nc12 ZINC000812401923 617302248 /nfs/dbraw/zinc/30/22/48/617302248.db2.gz PBGDQTAFXUJNRI-HWKANZROSA-N -1 1 279.727 1.986 20 0 CDADMM CC(C)[S@](C)(=O)=NC([O-])=CS(=O)(=O)C1CCCC1 ZINC000926067057 617362734 /nfs/dbraw/zinc/36/27/34/617362734.db2.gz TWNWPCUFBLVLRE-KRWDZBQOSA-N -1 1 295.426 1.377 20 0 CDADMM CCOC(=O)[C@@H]1CCCN(c2cc(=O)[n-]c(COC)n2)C1 ZINC000891425747 617389532 /nfs/dbraw/zinc/38/95/32/617389532.db2.gz CWALPZJFAARJLH-SNVBAGLBSA-N -1 1 295.339 1.108 20 0 CDADMM CCN1C[C@@H](C(=O)[N-]OC2CCCCC2)CC1=O ZINC000779321838 617433054 /nfs/dbraw/zinc/43/30/54/617433054.db2.gz FPGDOMARZJMTCM-JTQLQIEISA-N -1 1 254.330 1.235 20 0 CDADMM COC[C@H]([N-]S(=O)(=O)c1ccc(F)nc1F)C(C)C ZINC000866868551 617443871 /nfs/dbraw/zinc/44/38/71/617443871.db2.gz KOMOKNLFRIDCHK-QMMMGPOBSA-N -1 1 294.323 1.309 20 0 CDADMM COC1(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CCCC1 ZINC000891617735 617506676 /nfs/dbraw/zinc/50/66/76/617506676.db2.gz IEZJZEUUZNECMZ-UHFFFAOYSA-N -1 1 291.351 1.959 20 0 CDADMM O=C(CC[C@H]1CCCO1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891624633 617510864 /nfs/dbraw/zinc/51/08/64/617510864.db2.gz AIMNQPVXCOBNOO-SNVBAGLBSA-N -1 1 291.351 1.959 20 0 CDADMM COCc1nc(NC[C@](C)(O)CCC(C)C)cc(=O)[n-]1 ZINC000892650477 617561255 /nfs/dbraw/zinc/56/12/55/617561255.db2.gz JPDJUQAWLJNDIA-CQSZACIVSA-N -1 1 283.372 1.928 20 0 CDADMM COCc1nc(N[C@@H](CO)c2ccccc2)cc(=O)[n-]1 ZINC000891795332 617594459 /nfs/dbraw/zinc/59/44/59/617594459.db2.gz IXUNGYVGLIKZAM-NSHDSACASA-N -1 1 275.308 1.474 20 0 CDADMM C[C@](NC(=O)c1ccc2cncn2c1)(C(=O)[O-])C1CC1 ZINC000909327365 617692497 /nfs/dbraw/zinc/69/24/97/617692497.db2.gz VMAXXGAUIUKPLH-CQSZACIVSA-N -1 1 273.292 1.317 20 0 CDADMM CO[C@H](C(=O)Nc1cc(C(=O)OC(C)C)[nH]n1)C1CC1 ZINC000888119081 620750354 /nfs/dbraw/zinc/75/03/54/620750354.db2.gz RWCJXODCZDUCNK-NSHDSACASA-N -1 1 281.312 1.338 20 0 CDADMM CCCCC[C@@H](NC(=O)CCc1cnc[nH]1)C(=O)[O-] ZINC000909345722 617828771 /nfs/dbraw/zinc/82/87/71/617828771.db2.gz MYVANIBRZRBRMG-LLVKDONJSA-N -1 1 267.329 1.492 20 0 CDADMM CCS(=O)(CC)=NC(=O)c1nnc2ccccc2c1[O-] ZINC000925894113 617989067 /nfs/dbraw/zinc/98/90/67/617989067.db2.gz URPXQRDLRVEZFJ-UHFFFAOYSA-N -1 1 293.348 1.983 20 0 CDADMM CCN(CC(=O)NC(CC)(CC)CC(=O)[O-])C1CC1 ZINC000909376191 618008796 /nfs/dbraw/zinc/00/87/96/618008796.db2.gz YHYWNAAGHGLVQB-UHFFFAOYSA-N -1 1 270.373 1.620 20 0 CDADMM COCc1nc(N(C)C[C@H]2CCCOC2)cc(=O)[n-]1 ZINC000892411374 618166257 /nfs/dbraw/zinc/16/62/57/618166257.db2.gz XHNNNCUXCFMZOD-SNVBAGLBSA-N -1 1 267.329 1.191 20 0 CDADMM COCc1nc(N2CC[C@H](OC)[C@H](C)C2)cc(=O)[n-]1 ZINC000894063537 618326406 /nfs/dbraw/zinc/32/64/06/618326406.db2.gz MYPMGDGUGLIOEZ-ZJUUUORDSA-N -1 1 267.329 1.190 20 0 CDADMM CN1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C2(CCCCC2)C1 ZINC000901918044 618341163 /nfs/dbraw/zinc/34/11/63/618341163.db2.gz PLMIEQGUUOMNTR-CHWSQXEVSA-N -1 1 294.395 1.574 20 0 CDADMM COCc1nc(N[C@@H](C)Cc2cnn(C)c2)cc(=O)[n-]1 ZINC000894099128 618399658 /nfs/dbraw/zinc/39/96/58/618399658.db2.gz NZWBLOAMDNUQNZ-VIFPVBQESA-N -1 1 277.328 1.105 20 0 CDADMM CCOC(=O)c1cnc(NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[n-]1 ZINC000822543288 618552424 /nfs/dbraw/zinc/55/24/24/618552424.db2.gz SGIGFZIRWHCQBG-UFSYXXTASA-N -1 1 289.335 1.817 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)n1 ZINC000822543288 618552433 /nfs/dbraw/zinc/55/24/33/618552433.db2.gz SGIGFZIRWHCQBG-UFSYXXTASA-N -1 1 289.335 1.817 20 0 CDADMM OC[C@H]1CCCC[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000826509535 618594687 /nfs/dbraw/zinc/59/46/87/618594687.db2.gz YFMLQLUPBSKACT-ZJUUUORDSA-N -1 1 274.328 1.225 20 0 CDADMM OC[C@H]1CCCC[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000826509535 618594691 /nfs/dbraw/zinc/59/46/91/618594691.db2.gz YFMLQLUPBSKACT-ZJUUUORDSA-N -1 1 274.328 1.225 20 0 CDADMM COCc1nc(N[C@H]2C[C@@H](OC(C)C)C2)cc(=O)[n-]1 ZINC000894150632 618630492 /nfs/dbraw/zinc/63/04/92/618630492.db2.gz DEBFZVZIGGAYBG-AOOOYVTPSA-N -1 1 267.329 1.697 20 0 CDADMM COCc1nc(NCCC2(COC)CC2)cc(=O)[n-]1 ZINC000894348187 618807723 /nfs/dbraw/zinc/80/77/23/618807723.db2.gz ZVJPZWHGIBITCQ-UHFFFAOYSA-N -1 1 267.329 1.557 20 0 CDADMM COCc1nc(N[C@@H](C)Cc2ccccn2)cc(=O)[n-]1 ZINC000894432628 618884791 /nfs/dbraw/zinc/88/47/91/618884791.db2.gz RWEIEQBWTCTARZ-JTQLQIEISA-N -1 1 274.324 1.767 20 0 CDADMM CN(CC(=O)NCC1(C(=O)[O-])CCCCC1)C1CCC1 ZINC000909523500 619738270 /nfs/dbraw/zinc/73/82/70/619738270.db2.gz LAFTZOHLVLIIPE-UHFFFAOYSA-N -1 1 282.384 1.622 20 0 CDADMM CC(C)(C)N1CC[C@@H]1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000896027305 619953241 /nfs/dbraw/zinc/95/32/41/619953241.db2.gz GUMUZTICXINKBK-GHMZBOCLSA-N -1 1 256.346 1.434 20 0 CDADMM C[C@@]1(O)CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000896838317 620249782 /nfs/dbraw/zinc/24/97/82/620249782.db2.gz OLAZUAUZOFGCMS-MRXNPFEDSA-N -1 1 287.315 1.848 20 0 CDADMM CC(=O)CC1(C(=O)[N-]OCc2ccccn2)CCC1 ZINC000909539580 620259417 /nfs/dbraw/zinc/25/94/17/620259417.db2.gz FFXPOGGMPOCRAI-UHFFFAOYSA-N -1 1 262.309 1.779 20 0 CDADMM CCC(CC)(NC(=O)c1cccc2nc[nH]c21)C(=O)[O-] ZINC000909615420 620512291 /nfs/dbraw/zinc/51/22/91/620512291.db2.gz IKMSZDZYLQQZDV-UHFFFAOYSA-N -1 1 275.308 1.936 20 0 CDADMM O=C(CCc1cnc[nH]1)N[C@H](C(=O)[O-])c1cccs1 ZINC000909633392 620526495 /nfs/dbraw/zinc/52/64/95/620526495.db2.gz MZIUBEGCAVOKBT-NSHDSACASA-N -1 1 279.321 1.346 20 0 CDADMM C[C@H]1CCCN(C(=O)CN2CCC(C(=O)[O-])CC2)C1 ZINC000035083860 620829960 /nfs/dbraw/zinc/82/99/60/620829960.db2.gz DBUGRJWFIIRQBI-NSHDSACASA-N -1 1 268.357 1.042 20 0 CDADMM CCCC(CCC)C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898756746 621860998 /nfs/dbraw/zinc/86/09/98/621860998.db2.gz LJFRYHHBZYMJOR-UHFFFAOYSA-N -1 1 267.329 1.720 20 0 CDADMM CC[C@H]1CC[C@H](C(=O)NCc2nc([O-])cc(=O)[nH]2)CC1 ZINC000898758747 621861872 /nfs/dbraw/zinc/86/18/72/621861872.db2.gz YYZQRJIBPPWYDN-MGCOHNPYSA-N -1 1 279.340 1.720 20 0 CDADMM CCCN1C[C@H](C(=O)[N-]OCc2cccc(C)n2)CC1=O ZINC000898931579 621970717 /nfs/dbraw/zinc/97/07/17/621970717.db2.gz VDKICWTYXIOVSD-GFCCVEGCSA-N -1 1 291.351 1.196 20 0 CDADMM C[C@H]1CCCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000899913534 622537154 /nfs/dbraw/zinc/53/71/54/622537154.db2.gz KQXROMDIPHWXBA-VIFPVBQESA-N -1 1 261.325 1.932 20 0 CDADMM 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/nfs/dbraw/zinc/58/29/71/1158582971.db2.gz OACFPUWYTKMBMK-CYBMUJFWSA-N -1 1 282.292 1.639 20 0 CDADMM O=S(=O)(Oc1ccc2c(c1)CCCO2)c1c[n-]cn1 ZINC000809853624 1163096561 /nfs/dbraw/zinc/09/65/61/1163096561.db2.gz BPSKUFVEEFODCQ-UHFFFAOYSA-N -1 1 280.305 1.502 20 0 CDADMM COCc1nc(NCc2ccc(CO)cc2)cc(=O)[n-]1 ZINC000894346052 1160100944 /nfs/dbraw/zinc/10/09/44/1160100944.db2.gz FXUNVRNWVVIYLV-UHFFFAOYSA-N -1 1 275.308 1.433 20 0 CDADMM C[C@H](C[C@H](C)O)NC(=O)c1cc(Cl)ccc1[O-] ZINC000228183063 1160165604 /nfs/dbraw/zinc/16/56/04/1160165604.db2.gz SODMRLNYKBWOQG-SFYZADRCSA-N -1 1 257.717 1.935 20 0 CDADMM CCC[C@H](CC)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001604137602 1163101952 /nfs/dbraw/zinc/10/19/52/1163101952.db2.gz FBCHKBJYBBFRLA-VIFPVBQESA-N -1 1 289.343 1.962 20 0 CDADMM CCC[C@H](CC)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001604137602 1163101957 /nfs/dbraw/zinc/10/19/57/1163101957.db2.gz FBCHKBJYBBFRLA-VIFPVBQESA-N -1 1 289.343 1.962 20 0 CDADMM CCCCC(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001604160175 1163111601 /nfs/dbraw/zinc/11/16/01/1163111601.db2.gz BCOFJNOWJCRWED-UHFFFAOYSA-N -1 1 263.305 1.037 20 0 CDADMM CCCCC(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001604160175 1163111606 /nfs/dbraw/zinc/11/16/06/1163111606.db2.gz BCOFJNOWJCRWED-UHFFFAOYSA-N -1 1 263.305 1.037 20 0 CDADMM CCCCN(CC)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001604182433 1163116524 /nfs/dbraw/zinc/11/65/24/1163116524.db2.gz YWPJWLRKKMNEFS-UHFFFAOYSA-N -1 1 288.355 1.453 20 0 CDADMM CCCCN(CC)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001604182433 1163116529 /nfs/dbraw/zinc/11/65/29/1163116529.db2.gz YWPJWLRKKMNEFS-UHFFFAOYSA-N -1 1 288.355 1.453 20 0 CDADMM CCN(Cc1ccccn1)c1ccnc(-c2nnn[n-]2)c1 ZINC001604324762 1163150312 /nfs/dbraw/zinc/15/03/12/1163150312.db2.gz JTOHLUGZRXVFRW-UHFFFAOYSA-N -1 1 281.323 1.683 20 0 CDADMM CCN(Cc1ccccn1)c1ccnc(-c2nn[n-]n2)c1 ZINC001604324762 1163150316 /nfs/dbraw/zinc/15/03/16/1163150316.db2.gz JTOHLUGZRXVFRW-UHFFFAOYSA-N -1 1 281.323 1.683 20 0 CDADMM C[C@@H](NCc1ccc(C(=O)[O-])n1C)c1ccccn1 ZINC001604351003 1163163267 /nfs/dbraw/zinc/16/32/67/1163163267.db2.gz UHAJKTLZUMUTAG-SNVBAGLBSA-N -1 1 259.309 1.969 20 0 CDADMM C[C@@H](O)CN1CCN(Cc2cc(C(=O)[O-])cs2)[C@@H](C)C1 ZINC001604386830 1163171795 /nfs/dbraw/zinc/17/17/95/1163171795.db2.gz DVMFKRRAOQUOHW-WDEREUQCSA-N -1 1 298.408 1.333 20 0 CDADMM C[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000921496144 1161231563 /nfs/dbraw/zinc/23/15/63/1161231563.db2.gz OSQVAJFKOFUXSZ-VXNVDRBHSA-N -1 1 277.292 1.278 20 0 CDADMM C[C@@H](c1nc2ccccc2o1)N1CC[C@](O)(C(=O)[O-])C1 ZINC001604479773 1163199066 /nfs/dbraw/zinc/19/90/66/1163199066.db2.gz WJEUGYKFCDPKBP-LKFCYVNXSA-N -1 1 276.292 1.410 20 0 CDADMM CCc1nc(N[C@@H]2CCC[C@H](F)C2)cc(-c2nnn[n-]2)n1 ZINC001604559482 1163230730 /nfs/dbraw/zinc/23/07/30/1163230730.db2.gz QWJDVSNUPNMEKR-DTWKUNHWSA-N -1 1 291.334 1.912 20 0 CDADMM CCc1nc(N[C@@H]2CCC[C@H](F)C2)cc(-c2nn[n-]n2)n1 ZINC001604559482 1163230737 /nfs/dbraw/zinc/23/07/37/1163230737.db2.gz QWJDVSNUPNMEKR-DTWKUNHWSA-N -1 1 291.334 1.912 20 0 CDADMM CCc1occc1C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001604589364 1163240360 /nfs/dbraw/zinc/24/03/60/1163240360.db2.gz ZMAZTVFWEDNKAO-UHFFFAOYSA-N -1 1 287.283 1.306 20 0 CDADMM CC1=C(C(=O)[O-])C[C@@H](CN[C@H](C)c2cscn2)O1 ZINC001604613380 1163249639 /nfs/dbraw/zinc/24/96/39/1163249639.db2.gz JRBPXDGUHAJAHO-APPZFPTMSA-N -1 1 268.338 1.941 20 0 CDADMM C[C@H]1C[C@H]1c1ccc(CNCCn2cc(C(=O)[O-])nn2)o1 ZINC001604684963 1163282114 /nfs/dbraw/zinc/28/21/14/1163282114.db2.gz HJOSTYFJLKTVHH-GXSJLCMTSA-N -1 1 290.323 1.483 20 0 CDADMM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccnc2)C[C@@]2(CCOC2)O1 ZINC001604785975 1163323188 /nfs/dbraw/zinc/32/31/88/1163323188.db2.gz JJHOGZDKLIJQLP-UXIGCNINSA-N -1 1 292.335 1.087 20 0 CDADMM CO[C@@](C)(C(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001604994503 1163407000 /nfs/dbraw/zinc/40/70/00/1163407000.db2.gz ACZRZGORDUIHKB-CYBMUJFWSA-N -1 1 288.311 1.015 20 0 CDADMM CO[C@@](C)(C(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001604994503 1163407001 /nfs/dbraw/zinc/40/70/01/1163407001.db2.gz 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1163679362 /nfs/dbraw/zinc/67/93/62/1163679362.db2.gz ZOVNHHMYMXMHLR-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM Cc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001605808378 1163679367 /nfs/dbraw/zinc/67/93/67/1163679367.db2.gz ZOVNHHMYMXMHLR-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM Cc1ccc(CN(C)c2cc(-c3nnn[n-]3)nc(C)n2)cc1 ZINC001605846240 1163686853 /nfs/dbraw/zinc/68/68/53/1163686853.db2.gz FGENVSQGFHKBRW-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccc(CN(C)c2cc(-c3nn[n-]n3)nc(C)n2)cc1 ZINC001605846240 1163686859 /nfs/dbraw/zinc/68/68/59/1163686859.db2.gz FGENVSQGFHKBRW-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccc(CCNC(=O)c2ccc(-c3nnn[n-]3)o2)nc1 ZINC001605843890 1163687146 /nfs/dbraw/zinc/68/71/46/1163687146.db2.gz MFCQBIMYWPDMAT-UHFFFAOYSA-N -1 1 298.306 1.136 20 0 CDADMM Cc1ccc(CCNC(=O)c2ccc(-c3nn[n-]n3)o2)nc1 ZINC001605843890 1163687151 /nfs/dbraw/zinc/68/71/51/1163687151.db2.gz MFCQBIMYWPDMAT-UHFFFAOYSA-N -1 1 298.306 1.136 20 0 CDADMM Cc1ccc(N2CC[C@H](C)[C@@H](CO)C2)nc1-c1nnn[n-]1 ZINC001605864544 1163695592 /nfs/dbraw/zinc/69/55/92/1163695592.db2.gz IFLKJJPGYGFQLZ-GXSJLCMTSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(N2CC[C@H](C)[C@@H](CO)C2)nc1-c1nn[n-]n1 ZINC001605864544 1163695594 /nfs/dbraw/zinc/69/55/94/1163695594.db2.gz IFLKJJPGYGFQLZ-GXSJLCMTSA-N -1 1 288.355 1.025 20 0 CDADMM CN(C)C(=O)CN[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001605996910 1163739509 /nfs/dbraw/zinc/73/95/09/1163739509.db2.gz VZTUWJLBSLMGLC-LLVKDONJSA-N -1 1 284.743 1.014 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(CCO[C@H]2CCCCO2)c1C ZINC001606021516 1163748144 /nfs/dbraw/zinc/74/81/44/1163748144.db2.gz VRHSDFYSQAGKFN-NSHDSACASA-N -1 1 292.343 1.223 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(CCO[C@H]2CCCCO2)c1C ZINC001606021516 1163748150 /nfs/dbraw/zinc/74/81/50/1163748150.db2.gz VRHSDFYSQAGKFN-NSHDSACASA-N -1 1 292.343 1.223 20 0 CDADMM CN(CCCNC(=O)C1CCC1)Cc1cc(C(=O)[O-])no1 ZINC001606121819 1163777384 /nfs/dbraw/zinc/77/73/84/1163777384.db2.gz RZPNOWOGTWCCRS-UHFFFAOYSA-N -1 1 295.339 1.111 20 0 CDADMM CN(Cc1oncc1C(=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC001606179229 1163799756 /nfs/dbraw/zinc/79/97/56/1163799756.db2.gz HMVBMAFYQQMSJJ-JTQLQIEISA-N -1 1 265.313 1.041 20 0 CDADMM CNC(=O)NC[C@H]1CCCCN1Cc1occc1C(=O)[O-] ZINC001606280516 1163836547 /nfs/dbraw/zinc/83/65/47/1163836547.db2.gz HFEDRROLZYBACH-SNVBAGLBSA-N -1 1 295.339 1.261 20 0 CDADMM FC1(F)CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001606299965 1163845342 /nfs/dbraw/zinc/84/53/42/1163845342.db2.gz OFCQYAOGEYYSKT-UHFFFAOYSA-N -1 1 281.270 1.282 20 0 CDADMM FC1(F)CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001606299965 1163845347 /nfs/dbraw/zinc/84/53/47/1163845347.db2.gz OFCQYAOGEYYSKT-UHFFFAOYSA-N -1 1 281.270 1.282 20 0 CDADMM Fc1ccc(Sc2ncncc2-c2nnn[n-]2)cc1 ZINC001606326346 1163862867 /nfs/dbraw/zinc/86/28/67/1163862867.db2.gz CWFXVYQZJBLPFR-UHFFFAOYSA-N -1 1 274.284 1.947 20 0 CDADMM Fc1ccc(Sc2ncncc2-c2nn[n-]n2)cc1 ZINC001606326346 1163862871 /nfs/dbraw/zinc/86/28/71/1163862871.db2.gz CWFXVYQZJBLPFR-UHFFFAOYSA-N -1 1 274.284 1.947 20 0 CDADMM CO[C@H](C)c1noc(CN[C@@H](CC(=O)[O-])C2CC2)n1 ZINC001606664766 1163952443 /nfs/dbraw/zinc/95/24/43/1163952443.db2.gz AHFFSZIDESJPAE-APPZFPTMSA-N -1 1 269.301 1.120 20 0 CDADMM OCC[C@@H]1CCC[C@H]1Nc1cccnc1-c1nnn[n-]1 ZINC001607106158 1164087349 /nfs/dbraw/zinc/08/73/49/1164087349.db2.gz RNDSHEVWLMYPBB-VHSXEESVSA-N -1 1 274.328 1.225 20 0 CDADMM OCC[C@@H]1CCC[C@H]1Nc1cccnc1-c1nn[n-]n1 ZINC001607106158 1164087354 /nfs/dbraw/zinc/08/73/54/1164087354.db2.gz RNDSHEVWLMYPBB-VHSXEESVSA-N -1 1 274.328 1.225 20 0 CDADMM c1ccc([C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)nc1 ZINC001607128633 1164110721 /nfs/dbraw/zinc/11/07/21/1164110721.db2.gz GFEYLZRYMVDVMT-SNVBAGLBSA-N -1 1 294.322 1.046 20 0 CDADMM c1ccc([C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)nc1 ZINC001607128633 1164110725 /nfs/dbraw/zinc/11/07/25/1164110725.db2.gz GFEYLZRYMVDVMT-SNVBAGLBSA-N -1 1 294.322 1.046 20 0 CDADMM c1cc2c(cc1Nc1cc(-c3nnn[n-]3)ncn1)CCOC2 ZINC001607137432 1164117236 /nfs/dbraw/zinc/11/72/36/1164117236.db2.gz UATCWRRYYWAMOG-UHFFFAOYSA-N -1 1 295.306 1.473 20 0 CDADMM c1cc2c(cc1Nc1cc(-c3nn[n-]n3)ncn1)CCOC2 ZINC001607137432 1164117240 /nfs/dbraw/zinc/11/72/40/1164117240.db2.gz UATCWRRYYWAMOG-UHFFFAOYSA-N -1 1 295.306 1.473 20 0 CDADMM COc1cncc(CN2CCC([C@@H](O)C(=O)[O-])CC2)c1C ZINC001607354675 1164155302 /nfs/dbraw/zinc/15/53/02/1164155302.db2.gz XMIZCGPJFANOCC-CQSZACIVSA-N -1 1 294.351 1.056 20 0 CDADMM Cc1cc(CN)oc1C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC001607639333 1164250330 /nfs/dbraw/zinc/25/03/30/1164250330.db2.gz AKPQBLJHNBYHMK-JTQLQIEISA-N -1 1 266.297 1.030 20 0 CDADMM Cc1cc(N)nc(N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)n1 ZINC001607669191 1164265320 /nfs/dbraw/zinc/26/53/20/1164265320.db2.gz GJUDPNRKOZQGQE-INIZCTEOSA-N -1 1 298.346 1.600 20 0 CDADMM Cc1cc(NC(=O)CCc2nc[nH]n2)sc1C(=O)[O-] ZINC001607678354 1164266649 /nfs/dbraw/zinc/26/66/49/1164266649.db2.gz NRVCFWNFTUSDSM-UHFFFAOYSA-N -1 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/nfs/dbraw/zinc/40/87/19/1164408719.db2.gz VNAZVJXUFKJCKO-UHFFFAOYSA-N -1 1 299.290 1.176 20 0 CDADMM Cn1cc(NC(=O)[C@@H](N)Cc2ccccc2)cc1C(=O)[O-] ZINC001608120383 1164415722 /nfs/dbraw/zinc/41/57/22/1164415722.db2.gz FUPDHLFSQMFJCP-LBPRGKRZSA-N -1 1 287.319 1.232 20 0 CDADMM CC(C)CN(CC(=O)[O-])C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000864114473 1164510296 /nfs/dbraw/zinc/51/02/96/1164510296.db2.gz VGAVDTQXNTVHOQ-JTQLQIEISA-N -1 1 267.329 1.158 20 0 CDADMM O=C([O-])[C@H](CNC(=O)[C@H]1CSCN1)CC1CCCC1 ZINC001608536275 1164537614 /nfs/dbraw/zinc/53/76/14/1164537614.db2.gz DJEGVHFEZAEOEJ-WDEREUQCSA-N -1 1 286.397 1.046 20 0 CDADMM O=C([O-])[C@]1(F)CCN(CCO[C@@H]2CCCCO2)C1 ZINC001608576001 1164552891 /nfs/dbraw/zinc/55/28/91/1164552891.db2.gz QNPRODXOLVULDS-PWSUYJOCSA-N -1 1 261.293 1.028 20 0 CDADMM O=C([O-])[C@H]1C[C@H](O)CN1Cc1ccc2cnccc2c1 ZINC001608606169 1164570789 /nfs/dbraw/zinc/57/07/89/1164570789.db2.gz GIAVLWPTXJHYIW-UONOGXRCSA-N -1 1 272.304 1.255 20 0 CDADMM 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20 0 CDADMM CC(C)[C@H](NC(=O)c1ccc([O-])cn1)c1ncon1 ZINC001639834820 1166972065 /nfs/dbraw/zinc/97/20/65/1166972065.db2.gz MCEJFQJAIVKWJE-JTQLQIEISA-N -1 1 262.269 1.297 20 0 CDADMM O=C(NCc1ncccc1O)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155273762 1167113264 /nfs/dbraw/zinc/11/32/64/1167113264.db2.gz VQDGWZXWDXHROZ-UHFFFAOYSA-N -1 1 284.275 1.299 20 0 CDADMM Cc1cnc(SCC(=O)Nc2ccccn2)[n-]c1=O ZINC000058839271 1167265125 /nfs/dbraw/zinc/26/51/25/1167265125.db2.gz RQQAMRLFSOWIRH-UHFFFAOYSA-N -1 1 276.321 1.204 20 0 CDADMM O=C(C[C@@H]1CC[C@H]2C[C@H]21)NC1(c2nn[n-]n2)CCC1 ZINC001644748737 1167345433 /nfs/dbraw/zinc/34/54/33/1167345433.db2.gz XBKGRHQEQRPGMP-LPEHRKFASA-N -1 1 261.329 1.131 20 0 CDADMM Cn1nncc1NC(=O)c1[n-]cnc1C(=O)c1ccccc1 ZINC001647815086 1169063604 /nfs/dbraw/zinc/06/36/04/1169063604.db2.gz ALMWWJMBPQFRLU-UHFFFAOYSA-N -1 1 296.290 1.022 20 0 CDADMM CC(C)N=c1ccccn1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001574289768 1170940675 /nfs/dbraw/zinc/94/06/75/1170940675.db2.gz AEZIZJWBNQMRFU-UHFFFAOYSA-N -1 1 298.306 1.259 20 0 CDADMM O=C([O-])c1n[nH]c(CN[C@@H]2CCOC3(CCCCC3)C2)n1 ZINC001574423052 1170978465 /nfs/dbraw/zinc/97/84/65/1170978465.db2.gz RFIWXBCINNCXJA-SNVBAGLBSA-N -1 1 294.355 1.474 20 0 CDADMM O=C(Cc1c[nH]c2ncccc12)Nc1c[n-][nH]c1=O ZINC001651044489 1171281944 /nfs/dbraw/zinc/28/19/44/1171281944.db2.gz LTQZPGVDBHHSEA-UHFFFAOYSA-N -1 1 257.253 1.173 20 0 CDADMM O=C(Nc1cnns1)c1csc(-c2nn[n-]n2)c1 ZINC001582650992 1172687555 /nfs/dbraw/zinc/68/75/55/1172687555.db2.gz QAIFROLVIPHANR-UHFFFAOYSA-N -1 1 279.310 1.032 20 0 CDADMM O=C(Nc1nnn[n-]1)c1c[nH]cc1Cc1ccccc1 ZINC001586746965 1172958233 /nfs/dbraw/zinc/95/82/33/1172958233.db2.gz VSBPOJFBTNATCJ-UHFFFAOYSA-N -1 1 268.280 1.371 20 0 CDADMM O=C(Nc1nn[n-]n1)c1c[nH]cc1Cc1ccccc1 ZINC001586746965 1172958237 /nfs/dbraw/zinc/95/82/37/1172958237.db2.gz VSBPOJFBTNATCJ-UHFFFAOYSA-N -1 1 268.280 1.371 20 0 CDADMM CC(C)=CCCn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001589375900 1173139894 /nfs/dbraw/zinc/13/98/94/1173139894.db2.gz FCWJAHKHZKGPBE-UHFFFAOYSA-N -1 1 285.351 1.873 20 0 CDADMM CC(C)[C@]1(CO)CCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001589493227 1173151288 /nfs/dbraw/zinc/15/12/88/1173151288.db2.gz BSRGSQCQWVLSIS-CQSZACIVSA-N -1 1 288.355 1.107 20 0 CDADMM CC(C)[C@]1(CO)CCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001589493227 1173151291 /nfs/dbraw/zinc/15/12/91/1173151291.db2.gz BSRGSQCQWVLSIS-CQSZACIVSA-N -1 1 288.355 1.107 20 0 CDADMM CC(C)C[C@@H]([NH2+]Cc1csc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001589654662 1173166530 /nfs/dbraw/zinc/16/65/30/1173166530.db2.gz ZVXSWXCAGNQQBK-SECBINFHSA-N -1 1 295.368 1.517 20 0 CDADMM CC(C)O[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001589739876 1173170610 /nfs/dbraw/zinc/17/06/10/1173170610.db2.gz RUJORWYMDNWVTI-NSHDSACASA-N -1 1 288.355 1.656 20 0 CDADMM CC(C)O[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001589739876 1173170605 /nfs/dbraw/zinc/17/06/05/1173170605.db2.gz RUJORWYMDNWVTI-NSHDSACASA-N -1 1 288.355 1.656 20 0 CDADMM C[C@H](CC(F)(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001589798380 1173183081 /nfs/dbraw/zinc/18/30/81/1173183081.db2.gz AUQCLPSRGXFQDH-RXMQYKEDSA-N -1 1 273.222 1.410 20 0 CDADMM C[C@H](CC(F)(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001589798380 1173183084 /nfs/dbraw/zinc/18/30/84/1173183084.db2.gz AUQCLPSRGXFQDH-RXMQYKEDSA-N -1 1 273.222 1.410 20 0 CDADMM C[C@H](CC(C)(C)C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001589797146 1173184651 /nfs/dbraw/zinc/18/46/51/1173184651.db2.gz VSNUOVISLBIGJQ-MRVPVSSYSA-N -1 1 291.359 1.611 20 0 CDADMM C[C@H](CC(C)(C)C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001589797146 1173184656 /nfs/dbraw/zinc/18/46/56/1173184656.db2.gz VSNUOVISLBIGJQ-MRVPVSSYSA-N -1 1 291.359 1.611 20 0 CDADMM C[C@H](CCc1ccco1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589836718 1173190471 /nfs/dbraw/zinc/19/04/71/1173190471.db2.gz QGOBBIMSCBSPQL-SNVBAGLBSA-N -1 1 284.323 1.710 20 0 CDADMM C[C@H](CCc1ccco1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589836718 1173190476 /nfs/dbraw/zinc/19/04/76/1173190476.db2.gz QGOBBIMSCBSPQL-SNVBAGLBSA-N -1 1 284.323 1.710 20 0 CDADMM C[C@@H](CCc1ccco1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001589837403 1173191191 /nfs/dbraw/zinc/19/11/91/1173191191.db2.gz YTTLBICVPYPRAM-VIFPVBQESA-N -1 1 285.311 1.683 20 0 CDADMM C[C@@H](CCc1ccco1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001589837403 1173191194 /nfs/dbraw/zinc/19/11/94/1173191194.db2.gz YTTLBICVPYPRAM-VIFPVBQESA-N -1 1 285.311 1.683 20 0 CDADMM C[C@H](Cn1cncc(-c2nn[n-]n2)c1=O)C(C)(C)C ZINC001589903880 1173201045 /nfs/dbraw/zinc/20/10/45/1173201045.db2.gz KLZWAJSPZNGFOD-MRVPVSSYSA-N -1 1 262.317 1.106 20 0 CDADMM CC(C)(CNC(=O)c1coc(-c2nnn[n-]2)c1)C(C)(F)F ZINC001589905794 1173202008 /nfs/dbraw/zinc/20/20/08/1173202008.db2.gz MYHORIPINVYOEX-UHFFFAOYSA-N -1 1 299.281 1.871 20 0 CDADMM CC(C)(CNC(=O)c1coc(-c2nn[n-]n2)c1)C(C)(F)F ZINC001589905794 1173202012 /nfs/dbraw/zinc/20/20/12/1173202012.db2.gz MYHORIPINVYOEX-UHFFFAOYSA-N -1 1 299.281 1.871 20 0 CDADMM C[C@H](F)CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589910827 1173202583 /nfs/dbraw/zinc/20/25/83/1173202583.db2.gz CGWKARUBDMEYGO-LURJTMIESA-N -1 1 269.305 1.406 20 0 CDADMM C[C@H](F)CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589910827 1173202591 /nfs/dbraw/zinc/20/25/91/1173202591.db2.gz CGWKARUBDMEYGO-LURJTMIESA-N -1 1 269.305 1.406 20 0 CDADMM C[C@](O)(C(=O)OCc1ccc(-c2nnn[n-]2)o1)C1CCC1 ZINC001590013508 1173234984 /nfs/dbraw/zinc/23/49/84/1173234984.db2.gz UYZMPRURYFQLPR-CYBMUJFWSA-N -1 1 292.295 1.054 20 0 CDADMM C[C@](O)(C(=O)OCc1ccc(-c2nn[n-]n2)o1)C1CCC1 ZINC001590013508 1173234989 /nfs/dbraw/zinc/23/49/89/1173234989.db2.gz UYZMPRURYFQLPR-CYBMUJFWSA-N -1 1 292.295 1.054 20 0 CDADMM C[C@@H](SCc1ccc(-c2nnn[n-]2)o1)c1nncn1C ZINC001590033434 1173235875 /nfs/dbraw/zinc/23/58/75/1173235875.db2.gz MHBMEZVMPQTZEU-SSDOTTSWSA-N -1 1 291.340 1.583 20 0 CDADMM C[C@@H](SCc1ccc(-c2nn[n-]n2)o1)c1nncn1C ZINC001590033434 1173235881 /nfs/dbraw/zinc/23/58/81/1173235881.db2.gz MHBMEZVMPQTZEU-SSDOTTSWSA-N -1 1 291.340 1.583 20 0 CDADMM CC1(C)CCC[C@H]1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001590097425 1173256106 /nfs/dbraw/zinc/25/61/06/1173256106.db2.gz UNGOORRZVUFSAA-QMMMGPOBSA-N -1 1 275.316 1.112 20 0 CDADMM CC1(C)CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590097075 1173257012 /nfs/dbraw/zinc/25/70/12/1173257012.db2.gz QKQTURWEOSXRAU-UHFFFAOYSA-N -1 1 297.340 1.023 20 0 CDADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CC(C)(C)O1 ZINC001590108031 1173259580 /nfs/dbraw/zinc/25/95/80/1173259580.db2.gz MOXMGPUVCTYPSQ-UHFFFAOYSA-N -1 1 289.343 1.051 20 0 CDADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CC(C)(C)O1 ZINC001590108031 1173259586 /nfs/dbraw/zinc/25/95/86/1173259586.db2.gz MOXMGPUVCTYPSQ-UHFFFAOYSA-N -1 1 289.343 1.051 20 0 CDADMM CC1(C)CN(C(=O)c2coc(-c3nnn[n-]3)c2)CCCO1 ZINC001590104125 1173260703 /nfs/dbraw/zinc/26/07/03/1173260703.db2.gz ROVZLLZAGJCOTO-UHFFFAOYSA-N -1 1 291.311 1.101 20 0 CDADMM CC1(C)CN(C(=O)c2coc(-c3nn[n-]n3)c2)CCCO1 ZINC001590104125 1173260710 /nfs/dbraw/zinc/26/07/10/1173260710.db2.gz ROVZLLZAGJCOTO-UHFFFAOYSA-N -1 1 291.311 1.101 20 0 CDADMM CC1(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)CCCC1 ZINC001590133019 1173267127 /nfs/dbraw/zinc/26/71/27/1173267127.db2.gz YUJYXGDSPWSHBR-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM CC1(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)CCCC1 ZINC001590133019 1173267134 /nfs/dbraw/zinc/26/71/34/1173267134.db2.gz YUJYXGDSPWSHBR-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM CC1(F)CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001590141847 1173271094 /nfs/dbraw/zinc/27/10/94/1173271094.db2.gz PEKHVYJLYDCIMU-UHFFFAOYSA-N -1 1 279.275 1.424 20 0 CDADMM CC1(F)CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001590141847 1173271102 /nfs/dbraw/zinc/27/11/02/1173271102.db2.gz PEKHVYJLYDCIMU-UHFFFAOYSA-N -1 1 279.275 1.424 20 0 CDADMM C[C@@H]1C[C@H](COC(=O)c2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001590193961 1173288059 /nfs/dbraw/zinc/28/80/59/1173288059.db2.gz UESWGLVFMINJNY-RKDXNWHRSA-N -1 1 292.295 1.432 20 0 CDADMM C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)c2nccn21 ZINC001590202385 1173290778 /nfs/dbraw/zinc/29/07/78/1173290778.db2.gz GSKDRSPHYNZHJD-JGVFFNPUSA-N -1 1 299.294 1.092 20 0 CDADMM C[C@@H]1CCC[C@@H](C)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590243696 1173314051 /nfs/dbraw/zinc/31/40/51/1173314051.db2.gz MTUGSIKMCWGPJK-NXEZZACHSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1CCC[C@@H](C)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590243696 1173314059 /nfs/dbraw/zinc/31/40/59/1173314059.db2.gz MTUGSIKMCWGPJK-NXEZZACHSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)CC1(C)C ZINC001590270079 1173332888 /nfs/dbraw/zinc/33/28/88/1173332888.db2.gz MFORNYWNNZLJHV-SECBINFHSA-N -1 1 289.339 1.968 20 0 CDADMM C[C@@H]1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)CC1(C)C ZINC001590270079 1173332893 /nfs/dbraw/zinc/33/28/93/1173332893.db2.gz MFORNYWNNZLJHV-SECBINFHSA-N -1 1 289.339 1.968 20 0 CDADMM C[C@@H]1[C@@H](C)CN1c1c2ccccc2nnc1-c1nnn[n-]1 ZINC001590314894 1173350112 /nfs/dbraw/zinc/35/01/12/1173350112.db2.gz WGXAUUPBRKOVDI-DTWKUNHWSA-N -1 1 281.323 1.655 20 0 CDADMM C[C@@H]1[C@@H](C)CN1c1c2ccccc2nnc1-c1nn[n-]n1 ZINC001590314894 1173350117 /nfs/dbraw/zinc/35/01/17/1173350117.db2.gz WGXAUUPBRKOVDI-DTWKUNHWSA-N -1 1 281.323 1.655 20 0 CDADMM CC[C@@]1(O)CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001590500658 1173436850 /nfs/dbraw/zinc/43/68/50/1173436850.db2.gz XIHORCFWTOZPJE-GFCCVEGCSA-N -1 1 294.746 1.266 20 0 CDADMM CC[C@@]1(O)CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001590500658 1173436853 /nfs/dbraw/zinc/43/68/53/1173436853.db2.gz XIHORCFWTOZPJE-GFCCVEGCSA-N -1 1 294.746 1.266 20 0 CDADMM CC[C@H]1C[C@H](C)CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590502467 1173436985 /nfs/dbraw/zinc/43/69/85/1173436985.db2.gz AJRLCVARWWAOSJ-IUCAKERBSA-N -1 1 259.317 1.282 20 0 CDADMM CCC1(O)CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590500802 1173437231 /nfs/dbraw/zinc/43/72/31/1173437231.db2.gz ZSVIOMCYGKMEMN-UHFFFAOYSA-N -1 1 274.328 1.003 20 0 CDADMM CCC1(O)CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590500802 1173437236 /nfs/dbraw/zinc/43/72/36/1173437236.db2.gz ZSVIOMCYGKMEMN-UHFFFAOYSA-N -1 1 274.328 1.003 20 0 CDADMM CCC1(NC(=O)c2ccnc(-c3nnn[n-]3)c2)CCC1 ZINC001590498141 1173437358 /nfs/dbraw/zinc/43/73/58/1173437358.db2.gz JXCVDYUJCFNITN-UHFFFAOYSA-N -1 1 272.312 1.324 20 0 CDADMM CCC1(NC(=O)c2ccnc(-c3nn[n-]n3)c2)CCC1 ZINC001590498141 1173437363 /nfs/dbraw/zinc/43/73/63/1173437363.db2.gz JXCVDYUJCFNITN-UHFFFAOYSA-N -1 1 272.312 1.324 20 0 CDADMM CC[C@H]1C[C@H](Nc2ccc(C)nc2-c2nnn[n-]2)CCO1 ZINC001590506009 1173438907 /nfs/dbraw/zinc/43/89/07/1173438907.db2.gz SEKHLMLOUWHWQV-MNOVXSKESA-N -1 1 288.355 1.940 20 0 CDADMM CC[C@H]1C[C@H](Nc2ccc(C)nc2-c2nn[n-]n2)CCO1 ZINC001590506009 1173438912 /nfs/dbraw/zinc/43/89/12/1173438912.db2.gz SEKHLMLOUWHWQV-MNOVXSKESA-N -1 1 288.355 1.940 20 0 CDADMM CCC[C@H](CC)OC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590555342 1173459485 /nfs/dbraw/zinc/45/94/85/1173459485.db2.gz ZFLONFOZEJILIT-NSHDSACASA-N -1 1 289.339 1.926 20 0 CDADMM CCC[C@H](CC)OC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590555342 1173459493 /nfs/dbraw/zinc/45/94/93/1173459493.db2.gz ZFLONFOZEJILIT-NSHDSACASA-N -1 1 289.339 1.926 20 0 CDADMM CCN(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590678831 1173490355 /nfs/dbraw/zinc/49/03/55/1173490355.db2.gz HMYAVNODOMCSPN-UHFFFAOYSA-N -1 1 299.381 1.101 20 0 CDADMM CCN(C1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590678831 1173490361 /nfs/dbraw/zinc/49/03/61/1173490361.db2.gz HMYAVNODOMCSPN-UHFFFAOYSA-N -1 1 299.381 1.101 20 0 CDADMM CCOC1CCN(c2cc(C)nc(-c3nnn[n-]3)c2)CC1 ZINC001590796202 1173512802 /nfs/dbraw/zinc/51/28/02/1173512802.db2.gz JLEHOFBMOAJLJK-UHFFFAOYSA-N -1 1 288.355 1.575 20 0 CDADMM CCOC1CCN(c2cc(C)nc(-c3nn[n-]n3)c2)CC1 ZINC001590796202 1173512805 /nfs/dbraw/zinc/51/28/05/1173512805.db2.gz JLEHOFBMOAJLJK-UHFFFAOYSA-N -1 1 288.355 1.575 20 0 CDADMM CCOCCCn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001590812018 1173520546 /nfs/dbraw/zinc/52/05/46/1173520546.db2.gz QMLSCOUMLHZUED-UHFFFAOYSA-N -1 1 299.338 1.552 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCC[C@@H](C)C2)n1 ZINC001590907180 1173541320 /nfs/dbraw/zinc/54/13/20/1173541320.db2.gz HKNIICSYEWQJOM-SNVBAGLBSA-N -1 1 287.371 1.846 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCC[C@@H](C)C2)n1 ZINC001590907180 1173541324 /nfs/dbraw/zinc/54/13/24/1173541324.db2.gz HKNIICSYEWQJOM-SNVBAGLBSA-N -1 1 287.371 1.846 20 0 CDADMM CCc1nc(NCc2ccc(O)cc2)cc(-c2nnn[n-]2)n1 ZINC001590923065 1173544555 /nfs/dbraw/zinc/54/45/55/1173544555.db2.gz NHBCKANCQDROEP-UHFFFAOYSA-N -1 1 297.322 1.537 20 0 CDADMM CCc1nc(NCc2ccc(O)cc2)cc(-c2nn[n-]n2)n1 ZINC001590923065 1173544560 /nfs/dbraw/zinc/54/45/60/1173544560.db2.gz NHBCKANCQDROEP-UHFFFAOYSA-N -1 1 297.322 1.537 20 0 CDADMM CCn1cc(CNc2n[nH]c(C)c2-c2nnn[n-]2)c(C)n1 ZINC001590953494 1173550337 /nfs/dbraw/zinc/55/03/37/1173550337.db2.gz JZQXFCLVHCISQV-UHFFFAOYSA-N -1 1 287.331 1.035 20 0 CDADMM CCn1cc(CNc2n[nH]c(C)c2-c2nn[n-]n2)c(C)n1 ZINC001590953494 1173550342 /nfs/dbraw/zinc/55/03/42/1173550342.db2.gz JZQXFCLVHCISQV-UHFFFAOYSA-N -1 1 287.331 1.035 20 0 CDADMM CN(Cc1ccoc1)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591150104 1173582464 /nfs/dbraw/zinc/58/24/64/1173582464.db2.gz NXXKQNJWZLAWRK-UHFFFAOYSA-N -1 1 284.279 1.127 20 0 CDADMM CN(Cc1ccoc1)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591150104 1173582471 /nfs/dbraw/zinc/58/24/71/1173582471.db2.gz NXXKQNJWZLAWRK-UHFFFAOYSA-N -1 1 284.279 1.127 20 0 CDADMM COC(=O)CC1CC(Nc2cccnc2-c2nnn[n-]2)C1 ZINC001591260633 1173595394 /nfs/dbraw/zinc/59/53/94/1173595394.db2.gz DZHAZIHEFFZLFR-UHFFFAOYSA-N -1 1 288.311 1.015 20 0 CDADMM COC(=O)CC1CC(Nc2cccnc2-c2nn[n-]n2)C1 ZINC001591260633 1173595401 /nfs/dbraw/zinc/59/54/01/1173595401.db2.gz DZHAZIHEFFZLFR-UHFFFAOYSA-N -1 1 288.311 1.015 20 0 CDADMM CO[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001591350266 1173621548 /nfs/dbraw/zinc/62/15/48/1173621548.db2.gz QSXQBTAQPIEYQA-ZJUUUORDSA-N -1 1 287.327 1.026 20 0 CDADMM CO[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001591350266 1173621553 /nfs/dbraw/zinc/62/15/53/1173621553.db2.gz QSXQBTAQPIEYQA-ZJUUUORDSA-N -1 1 287.327 1.026 20 0 CDADMM CO[C@H]1C[C@@H](N(C)c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001591474639 1173660717 /nfs/dbraw/zinc/66/07/17/1173660717.db2.gz MEIUDVQZLUTVNY-OCAPTIKFSA-N -1 1 294.746 1.529 20 0 CDADMM CO[C@H]1C[C@@H](N(C)c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001591474639 1173660720 /nfs/dbraw/zinc/66/07/20/1173660720.db2.gz MEIUDVQZLUTVNY-OCAPTIKFSA-N -1 1 294.746 1.529 20 0 CDADMM C[C@H]1CC[C@H](Nc2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001591772376 1173699593 /nfs/dbraw/zinc/69/95/93/1173699593.db2.gz VLTNETJDGMNZCW-KYZUINATSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@H]1CC[C@H](Nc2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001591772376 1173699595 /nfs/dbraw/zinc/69/95/95/1173699595.db2.gz VLTNETJDGMNZCW-KYZUINATSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@]12CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001591779921 1173702363 /nfs/dbraw/zinc/70/23/63/1173702363.db2.gz CIEAJFOKWGJDRD-BQVMBELUSA-N -1 1 297.366 1.529 20 0 CDADMM C[C@]12CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001591779921 1173702367 /nfs/dbraw/zinc/70/23/67/1173702367.db2.gz CIEAJFOKWGJDRD-BQVMBELUSA-N -1 1 297.366 1.529 20 0 CDADMM C[C@]12CSC[C@H]1CN(c1cccc(-c3nnn[n-]3)n1)C2 ZINC001591780292 1173702784 /nfs/dbraw/zinc/70/27/84/1173702784.db2.gz IDSMIDPFWANAMH-RNCFNFMXSA-N -1 1 288.380 1.451 20 0 CDADMM C[C@]12CSC[C@H]1CN(c1cccc(-c3nn[n-]n3)n1)C2 ZINC001591780292 1173702788 /nfs/dbraw/zinc/70/27/88/1173702788.db2.gz IDSMIDPFWANAMH-RNCFNFMXSA-N -1 1 288.380 1.451 20 0 CDADMM Cc1c[nH]c(CNc2cccc(-c3nnn[n-]3)n2)c(C)c1=O ZINC001591832647 1173712119 /nfs/dbraw/zinc/71/21/19/1173712119.db2.gz GBSLKZZUIIMKOR-UHFFFAOYSA-N -1 1 297.322 1.179 20 0 CDADMM Cc1c[nH]c(CNc2cccc(-c3nn[n-]n3)n2)c(C)c1=O ZINC001591832647 1173712124 /nfs/dbraw/zinc/71/21/24/1173712124.db2.gz GBSLKZZUIIMKOR-UHFFFAOYSA-N -1 1 297.322 1.179 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](O)C(C)(C)C2)c1 ZINC001591886801 1173739657 /nfs/dbraw/zinc/73/96/57/1173739657.db2.gz FZHRKIWTLPJUEQ-NSHDSACASA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](O)C(C)(C)C2)c1 ZINC001591886801 1173739662 /nfs/dbraw/zinc/73/96/62/1173739662.db2.gz FZHRKIWTLPJUEQ-NSHDSACASA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)Cc2nccs2)n1 ZINC001591884691 1173739697 /nfs/dbraw/zinc/73/96/97/1173739697.db2.gz SZBIILHXPUFEPX-UHFFFAOYSA-N -1 1 288.340 1.058 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)Cc2nccs2)n1 ZINC001591884691 1173739703 /nfs/dbraw/zinc/73/97/03/1173739703.db2.gz SZBIILHXPUFEPX-UHFFFAOYSA-N -1 1 288.340 1.058 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2C[C@H](C)n3ccnc32)n1 ZINC001591892599 1173741095 /nfs/dbraw/zinc/74/10/95/1173741095.db2.gz VERQNPAXWZYQOY-WCBMZHEXSA-N -1 1 297.326 1.280 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2C[C@H](C)n3ccnc32)n1 ZINC001591892599 1173741097 /nfs/dbraw/zinc/74/10/97/1173741097.db2.gz VERQNPAXWZYQOY-WCBMZHEXSA-N -1 1 297.326 1.280 20 0 CDADMM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)c(C)[nH]1 ZINC001591933811 1173750929 /nfs/dbraw/zinc/75/09/29/1173750929.db2.gz OUCVAWFUDXTHDL-UHFFFAOYSA-N -1 1 283.295 1.459 20 0 CDADMM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)c(C)[nH]1 ZINC001591933811 1173750935 /nfs/dbraw/zinc/75/09/35/1173750935.db2.gz OUCVAWFUDXTHDL-UHFFFAOYSA-N -1 1 283.295 1.459 20 0 CDADMM Cc1cc(NCCc2ccncc2C)cc(-c2nnn[n-]2)n1 ZINC001592051134 1173786493 /nfs/dbraw/zinc/78/64/93/1173786493.db2.gz LAWLVSBMDCRVKB-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1cc(NCCc2ccncc2C)cc(-c2nn[n-]n2)n1 ZINC001592051134 1173786498 /nfs/dbraw/zinc/78/64/98/1173786498.db2.gz LAWLVSBMDCRVKB-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(C)c(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001592139830 1173811571 /nfs/dbraw/zinc/81/15/71/1173811571.db2.gz ZETOXTSCEUWCII-UHFFFAOYSA-N -1 1 283.295 1.459 20 0 CDADMM Cc1ccc(C)c(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001592139830 1173811572 /nfs/dbraw/zinc/81/15/72/1173811572.db2.gz ZETOXTSCEUWCII-UHFFFAOYSA-N -1 1 283.295 1.459 20 0 CDADMM Cc1ccc(CCNC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001592151965 1173813031 /nfs/dbraw/zinc/81/30/31/1173813031.db2.gz KUKFXBQOXAVDGH-UHFFFAOYSA-N -1 1 297.318 1.741 20 0 CDADMM Cc1ccc(CCNC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001592151965 1173813037 /nfs/dbraw/zinc/81/30/37/1173813037.db2.gz KUKFXBQOXAVDGH-UHFFFAOYSA-N -1 1 297.318 1.741 20 0 CDADMM Cc1ccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)o1 ZINC001592161949 1173818230 /nfs/dbraw/zinc/81/82/30/1173818230.db2.gz ZNYJCAILTILOLA-UHFFFAOYSA-N -1 1 299.294 1.485 20 0 CDADMM Cc1ccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)o1 ZINC001592161949 1173818239 /nfs/dbraw/zinc/81/82/39/1173818239.db2.gz ZNYJCAILTILOLA-UHFFFAOYSA-N -1 1 299.294 1.485 20 0 CDADMM Cc1ccc(N[C@H]2CSC[C@H]2C)nc1-c1nnn[n-]1 ZINC001592184352 1173829086 /nfs/dbraw/zinc/82/90/86/1173829086.db2.gz SGVDSQHKECWRMD-BDAKNGLRSA-N -1 1 276.369 1.734 20 0 CDADMM Cc1ccc(N[C@H]2CSC[C@H]2C)nc1-c1nn[n-]n1 ZINC001592184352 1173829091 /nfs/dbraw/zinc/82/90/91/1173829091.db2.gz SGVDSQHKECWRMD-BDAKNGLRSA-N -1 1 276.369 1.734 20 0 CDADMM Cc1nn(C)cc1[C@@H](C)Nc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001592184042 1173829620 /nfs/dbraw/zinc/82/96/20/1173829620.db2.gz PFPRWQDVFPSORP-SECBINFHSA-N -1 1 298.354 1.785 20 0 CDADMM Cc1nn(C)cc1[C@@H](C)Nc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001592184042 1173829624 /nfs/dbraw/zinc/82/96/24/1173829624.db2.gz PFPRWQDVFPSORP-SECBINFHSA-N -1 1 298.354 1.785 20 0 CDADMM Cc1cnc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)o1 ZINC001592293605 1173847978 /nfs/dbraw/zinc/84/79/78/1173847978.db2.gz BCZPIWZLIGVOCD-UHFFFAOYSA-N -1 1 286.299 1.376 20 0 CDADMM Cc1cnc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)o1 ZINC001592293605 1173847981 /nfs/dbraw/zinc/84/79/81/1173847981.db2.gz BCZPIWZLIGVOCD-UHFFFAOYSA-N -1 1 286.299 1.376 20 0 CDADMM Cc1nc(Cl)nn1Cc1ccc(-c2nnn[n-]2)o1 ZINC001592362693 1173868837 /nfs/dbraw/zinc/86/88/37/1173868837.db2.gz BEVZQKULKREHQM-UHFFFAOYSA-N -1 1 265.664 1.061 20 0 CDADMM Cc1nc(Cl)nn1Cc1ccc(-c2nn[n-]n2)o1 ZINC001592362693 1173868841 /nfs/dbraw/zinc/86/88/41/1173868841.db2.gz BEVZQKULKREHQM-UHFFFAOYSA-N -1 1 265.664 1.061 20 0 CDADMM Cc1nc(N[C@@H]2CC23CCCC3)cc(-c2nnn[n-]2)n1 ZINC001592381959 1173873562 /nfs/dbraw/zinc/87/35/62/1173873562.db2.gz IZNSHVBWMYGEGO-SNVBAGLBSA-N -1 1 271.328 1.710 20 0 CDADMM Cc1nc(N[C@@H]2CC23CCCC3)cc(-c2nn[n-]n2)n1 ZINC001592381959 1173873565 /nfs/dbraw/zinc/87/35/65/1173873565.db2.gz IZNSHVBWMYGEGO-SNVBAGLBSA-N -1 1 271.328 1.710 20 0 CDADMM Cc1nnc(CN(C)c2cccnc2-c2nnn[n-]2)s1 ZINC001592442481 1173891675 /nfs/dbraw/zinc/89/16/75/1173891675.db2.gz PHKDFFTUWLARDH-UHFFFAOYSA-N -1 1 288.340 1.058 20 0 CDADMM Cc1nnc(CN(C)c2cccnc2-c2nn[n-]n2)s1 ZINC001592442481 1173891682 /nfs/dbraw/zinc/89/16/82/1173891682.db2.gz PHKDFFTUWLARDH-UHFFFAOYSA-N -1 1 288.340 1.058 20 0 CDADMM FC(F)C[C@H]1COCCN1c1cccc(-c2nnn[n-]2)n1 ZINC001592625677 1173932382 /nfs/dbraw/zinc/93/23/82/1173932382.db2.gz WETFUEFTRNDMQM-QMMMGPOBSA-N -1 1 296.281 1.122 20 0 CDADMM FC(F)C[C@H]1COCCN1c1cccc(-c2nn[n-]n2)n1 ZINC001592625677 1173932390 /nfs/dbraw/zinc/93/23/90/1173932390.db2.gz WETFUEFTRNDMQM-QMMMGPOBSA-N -1 1 296.281 1.122 20 0 CDADMM FC1(F)CC12CN(Cc1ccc(-c3nnn[n-]3)o1)C2 ZINC001592629608 1173937607 /nfs/dbraw/zinc/93/76/07/1173937607.db2.gz IZLZQFKTLCYCRL-UHFFFAOYSA-N -1 1 267.239 1.301 20 0 CDADMM Fc1ccccc1[C@@H]1C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001592661634 1173958621 /nfs/dbraw/zinc/95/86/21/1173958621.db2.gz LDDAAEWCDIUQHP-GXSJLCMTSA-N -1 1 297.297 1.186 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C[C@H]1C=CCCC1 ZINC001592753644 1173986021 /nfs/dbraw/zinc/98/60/21/1173986021.db2.gz YDODNGYNPZEFBY-QMMMGPOBSA-N -1 1 273.300 1.032 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCC1(C2CC2)CC1 ZINC001592915033 1174002565 /nfs/dbraw/zinc/00/25/65/1174002565.db2.gz KMNLKAOYDZICNE-UHFFFAOYSA-N -1 1 298.350 1.111 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCC1(C2CC2)CC1 ZINC001592915033 1174002567 /nfs/dbraw/zinc/00/25/67/1174002567.db2.gz KMNLKAOYDZICNE-UHFFFAOYSA-N -1 1 298.350 1.111 20 0 CDADMM O=C(NC1CC1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001592967693 1174008118 /nfs/dbraw/zinc/00/81/18/1174008118.db2.gz QRGKNMIQYOUSPJ-UHFFFAOYSA-N -1 1 268.280 1.240 20 0 CDADMM O=C(N[C@H]1CCC(F)(F)C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001592973271 1174010389 /nfs/dbraw/zinc/01/03/89/1174010389.db2.gz YQWXZMBKNYQTSY-QMMMGPOBSA-N -1 1 294.265 1.179 20 0 CDADMM O=C(N[C@H]1CCC(F)(F)C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001592973271 1174010392 /nfs/dbraw/zinc/01/03/92/1174010392.db2.gz YQWXZMBKNYQTSY-QMMMGPOBSA-N -1 1 294.265 1.179 20 0 CDADMM O=C(NCCCCF)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593069022 1174020696 /nfs/dbraw/zinc/02/06/96/1174020696.db2.gz RLVWVYNOABVMMA-UHFFFAOYSA-N -1 1 279.279 1.133 20 0 CDADMM O=C(NCCCCF)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593069022 1174020707 /nfs/dbraw/zinc/02/07/07/1174020707.db2.gz RLVWVYNOABVMMA-UHFFFAOYSA-N -1 1 279.279 1.133 20 0 CDADMM O=C(NCc1ccncc1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593148144 1174027072 /nfs/dbraw/zinc/02/70/72/1174027072.db2.gz QJCRKKUPALPGRE-UHFFFAOYSA-N -1 1 298.281 1.331 20 0 CDADMM O=C(NCc1ccncc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593148144 1174027077 /nfs/dbraw/zinc/02/70/77/1174027077.db2.gz QJCRKKUPALPGRE-UHFFFAOYSA-N -1 1 298.281 1.331 20 0 CDADMM O=C(Nc1cccc2c1OCC2)c1coc(-c2nnn[n-]2)c1 ZINC001593248787 1174040469 /nfs/dbraw/zinc/04/04/69/1174040469.db2.gz FITVDTKNRINKSJ-UHFFFAOYSA-N -1 1 297.274 1.647 20 0 CDADMM O=C(Nc1cccc2c1OCC2)c1coc(-c2nn[n-]n2)c1 ZINC001593248787 1174040475 /nfs/dbraw/zinc/04/04/75/1174040475.db2.gz FITVDTKNRINKSJ-UHFFFAOYSA-N -1 1 297.274 1.647 20 0 CDADMM O=C(OC[C@@H]1CCCSC1)c1coc(-c2nnn[n-]2)c1 ZINC001593283260 1174049096 /nfs/dbraw/zinc/04/90/96/1174049096.db2.gz BVROTXWIDQVCNQ-QMMMGPOBSA-N -1 1 294.336 1.760 20 0 CDADMM O=C(OC[C@@H]1CCCSC1)c1coc(-c2nn[n-]n2)c1 ZINC001593283260 1174049101 /nfs/dbraw/zinc/04/91/01/1174049101.db2.gz BVROTXWIDQVCNQ-QMMMGPOBSA-N -1 1 294.336 1.760 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC2(CCC2)C1 ZINC001593340264 1174068647 /nfs/dbraw/zinc/06/86/47/1174068647.db2.gz IGWMSTKWQAQSIH-UHFFFAOYSA-N -1 1 273.296 1.476 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC2(CCC2)C1 ZINC001593340264 1174068656 /nfs/dbraw/zinc/06/86/56/1174068656.db2.gz IGWMSTKWQAQSIH-UHFFFAOYSA-N -1 1 273.296 1.476 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1CC1CCC2(CC2)CC1 ZINC001593496192 1174087195 /nfs/dbraw/zinc/08/71/95/1174087195.db2.gz CTWDNVTXYPWBHC-UHFFFAOYSA-N -1 1 285.351 1.999 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NCCC[C@H]1CCCCO1 ZINC001593552119 1174126489 /nfs/dbraw/zinc/12/64/89/1174126489.db2.gz VRIXOQSAGYOBLP-SNVBAGLBSA-N -1 1 289.343 1.418 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NCCC[C@H]1CCCCO1 ZINC001593552119 1174126493 /nfs/dbraw/zinc/12/64/93/1174126493.db2.gz VRIXOQSAGYOBLP-SNVBAGLBSA-N -1 1 289.343 1.418 20 0 CDADMM c1cc(N2CC[C@@H]3CCCC[C@@H]32)nnc1-c1nnn[n-]1 ZINC001593558011 1174132605 /nfs/dbraw/zinc/13/26/05/1174132605.db2.gz GEQPUFJGNGFWLM-ONGXEEELSA-N -1 1 271.328 1.426 20 0 CDADMM c1cc(N2CC[C@@H]3CCCC[C@@H]32)nnc1-c1nn[n-]n1 ZINC001593558011 1174132609 /nfs/dbraw/zinc/13/26/09/1174132609.db2.gz GEQPUFJGNGFWLM-ONGXEEELSA-N -1 1 271.328 1.426 20 0 CDADMM c1c[nH]c([C@@H]2CCCN2c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001593558317 1174133299 /nfs/dbraw/zinc/13/32/99/1174133299.db2.gz CAUWXQWMUMVCGT-NSHDSACASA-N -1 1 282.311 1.326 20 0 CDADMM c1c[nH]c([C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001593558317 1174133302 /nfs/dbraw/zinc/13/33/02/1174133302.db2.gz CAUWXQWMUMVCGT-NSHDSACASA-N -1 1 282.311 1.326 20 0 CDADMM c1cnc(N2C[C@@H]3CCCC[C@@H]32)c(-c2nnn[n-]2)n1 ZINC001593584929 1174153491 /nfs/dbraw/zinc/15/34/91/1174153491.db2.gz PJMDLCLKLDPYET-IUCAKERBSA-N -1 1 257.301 1.036 20 0 CDADMM c1cnc(N2C[C@@H]3CCCC[C@@H]32)c(-c2nn[n-]n2)n1 ZINC001593584929 1174153496 /nfs/dbraw/zinc/15/34/96/1174153496.db2.gz PJMDLCLKLDPYET-IUCAKERBSA-N -1 1 257.301 1.036 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001593590344 1174156671 /nfs/dbraw/zinc/15/66/71/1174156671.db2.gz OUKNVHQDZINOAJ-YWVKMMECSA-N -1 1 287.327 1.026 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001593590344 1174156674 /nfs/dbraw/zinc/15/66/74/1174156674.db2.gz OUKNVHQDZINOAJ-YWVKMMECSA-N -1 1 287.327 1.026 20 0 CDADMM c1cc(CCCNc2cc(-c3nnn[n-]3)ncn2)cs1 ZINC001593590688 1174157815 /nfs/dbraw/zinc/15/78/15/1174157815.db2.gz CCTPLVARHQUUMP-UHFFFAOYSA-N -1 1 287.352 1.763 20 0 CDADMM c1cc(CCCNc2cc(-c3nn[n-]n3)ncn2)cs1 ZINC001593590688 1174157820 /nfs/dbraw/zinc/15/78/20/1174157820.db2.gz CCTPLVARHQUUMP-UHFFFAOYSA-N -1 1 287.352 1.763 20 0 CDADMM c1ncc(N2CCC3(CCCC3)CC2)nc1-c1nnn[n-]1 ZINC001593594042 1174161573 /nfs/dbraw/zinc/16/15/73/1174161573.db2.gz YYVYTRITXYGFJE-UHFFFAOYSA-N -1 1 285.355 1.817 20 0 CDADMM c1ncc(N2CCC3(CCCC3)CC2)nc1-c1nn[n-]n1 ZINC001593594042 1174161578 /nfs/dbraw/zinc/16/15/78/1174161578.db2.gz YYVYTRITXYGFJE-UHFFFAOYSA-N -1 1 285.355 1.817 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1N[C@H](C1CC1)C1CCC1 ZINC001593595465 1174164778 /nfs/dbraw/zinc/16/47/78/1174164778.db2.gz QSFXWQWFNIKYFN-LBPRGKRZSA-N -1 1 271.328 1.647 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1N[C@H](C1CC1)C1CCC1 ZINC001593595465 1174164785 /nfs/dbraw/zinc/16/47/85/1174164785.db2.gz QSFXWQWFNIKYFN-LBPRGKRZSA-N -1 1 271.328 1.647 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NC[C@H]2C[C@@H]2C2CCCC2)n1 ZINC001593595146 1174164919 /nfs/dbraw/zinc/16/49/19/1174164919.db2.gz OGXPSSBJBDMCHY-GHMZBOCLSA-N -1 1 285.355 1.895 20 0 CDADMM CON(C(=O)c1ccc(Cl)cc1O)[C@H](C)C(=O)[O-] ZINC001594038469 1174177491 /nfs/dbraw/zinc/17/74/91/1174177491.db2.gz FHQVDPAJEXLZLC-ZCFIWIBFSA-N -1 1 273.672 1.522 20 0 CDADMM Fc1ccc(CNc2cnc(-c3nnn[n-]3)cn2)c(F)c1 ZINC000095142097 1174496191 /nfs/dbraw/zinc/49/61/91/1174496191.db2.gz NSKHRXWGFLKTOR-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM Fc1ccc(CNc2cnc(-c3nn[n-]n3)cn2)c(F)c1 ZINC000095142097 1174496194 /nfs/dbraw/zinc/49/61/94/1174496194.db2.gz NSKHRXWGFLKTOR-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM Cc1ncccc1CN1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001600752734 1174592060 /nfs/dbraw/zinc/59/20/60/1174592060.db2.gz RKASTXAWHVESKR-LBPRGKRZSA-N -1 1 287.323 1.127 20 0 CDADMM O=C([O-])c1cc(Cl)cc(NC(=O)CCc2nc[nH]n2)c1 ZINC001601296292 1174828442 /nfs/dbraw/zinc/82/84/42/1174828442.db2.gz FCKLNQWEPAGDHM-UHFFFAOYSA-N -1 1 294.698 1.728 20 0 CDADMM O=C([O-])[C@@H](CNC(=O)c1cnn[nH]1)C1CCCCCC1 ZINC001601452991 1174874293 /nfs/dbraw/zinc/87/42/93/1174874293.db2.gz DSIYCQAFEMBCBU-JTQLQIEISA-N -1 1 280.328 1.206 20 0 CDADMM O=C([O-])[C@H](c1ccccc1)N1CCN2C(=O)OCC[C@H]2C1 ZINC001601696624 1174948043 /nfs/dbraw/zinc/94/80/43/1174948043.db2.gz SIGIPABJPJUABR-STQMWFEESA-N -1 1 290.319 1.339 20 0 CDADMM O=C([O-])[C@@H](c1cccnc1)N1CCc2cc(O)ccc2C1 ZINC001601696523 1174948325 /nfs/dbraw/zinc/94/83/25/1174948325.db2.gz GXSFXZPAGPMYSV-OAHLLOKOSA-N -1 1 284.315 1.971 20 0 CDADMM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1Cc1nncs1 ZINC001601757707 1174992383 /nfs/dbraw/zinc/99/23/83/1174992383.db2.gz XZPKCOWQAIBXGS-NRPADANISA-N -1 1 253.327 1.223 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@@H](c2nc([C@H]3CCCN3)no2)C1 ZINC001601805575 1175016075 /nfs/dbraw/zinc/01/60/75/1175016075.db2.gz RWLYIAJOTABQBN-OPRDCNLKSA-N -1 1 265.313 1.853 20 0 CDADMM O=C([O-])[C@@H]1CCN(Cc2cc[nH]n2)[C@@H]([C@H]2CCCO2)C1 ZINC001601828444 1175025554 /nfs/dbraw/zinc/02/55/54/1175025554.db2.gz XOAJWWLKRSRYSB-RAIGVLPGSA-N -1 1 279.340 1.254 20 0 CDADMM O=C([O-])/C=C/c1ccc(CN2CC[C@@H](n3cncn3)C2)o1 ZINC001601879405 1175049376 /nfs/dbraw/zinc/04/93/76/1175049376.db2.gz IEHLEBOZHSITRX-PGLGOXFNSA-N -1 1 288.307 1.416 20 0 CDADMM O=C([O-])/C=C/c1ccc(CN2CC3(C2)CCOCC3)o1 ZINC001601879681 1175049525 /nfs/dbraw/zinc/04/95/25/1175049525.db2.gz NHVHFNBOQAGBDW-ONEGZZNKSA-N -1 1 277.320 1.990 20 0 CDADMM O=C([O-])C[C@@H](NC(=O)c1[nH]ncc1F)c1cccs1 ZINC001601907647 1175060579 /nfs/dbraw/zinc/06/05/79/1175060579.db2.gz PQFYHHVPOQOQAK-SSDOTTSWSA-N -1 1 283.284 1.556 20 0 CDADMM O=C([O-])C[C@@H]1CCCCN1CN1C[C@H]2CCCCN2C1=O ZINC001601949644 1175081918 /nfs/dbraw/zinc/08/19/18/1175081918.db2.gz RYROMMNKDWTPPA-QWHCGFSZSA-N -1 1 295.383 1.563 20 0 CDADMM O=C([O-])C[C@@H]1CCCCN1CN1C[C@@H](C2CC2)CC1=O ZINC001601949559 1175082097 /nfs/dbraw/zinc/08/20/97/1175082097.db2.gz LDNUUQJYXPSYJV-STQMWFEESA-N -1 1 280.368 1.532 20 0 CDADMM O=C([O-])[C@H]1CCCN(Cn2cc(-c3ccncn3)cn2)C1 ZINC001602212366 1175167605 /nfs/dbraw/zinc/16/76/05/1175167605.db2.gz IWILOHWMLMYCAA-NSHDSACASA-N -1 1 287.323 1.094 20 0 CDADMM O=C([O-])c1cc(CN2CC[C@H]3OCCC[C@@H]3C2)on1 ZINC001602255366 1175183647 /nfs/dbraw/zinc/18/36/47/1175183647.db2.gz ILPJAOCPYOYHSZ-BXKDBHETSA-N -1 1 266.297 1.374 20 0 CDADMM O=C([O-])c1ccc(CNCc2ccc[nH]c2=O)c(F)c1 ZINC001602348856 1175220360 /nfs/dbraw/zinc/22/03/60/1175220360.db2.gz YPGNFSOUVURFJO-UHFFFAOYSA-N -1 1 276.267 1.914 20 0 CDADMM O=C([O-])c1cccc(CN2CCc3cn[nH]c3C2)n1 ZINC001602436861 1175239465 /nfs/dbraw/zinc/23/94/65/1175239465.db2.gz VGWPIDXKJHJDMZ-UHFFFAOYSA-N -1 1 258.281 1.061 20 0 CDADMM O=C([O-])c1cccc(Cl)c1CN1CCC[C@@H](O)C1 ZINC001602441129 1175240725 /nfs/dbraw/zinc/24/07/25/1175240725.db2.gz GZYWKWVXUHCMAA-SECBINFHSA-N -1 1 269.728 1.995 20 0 CDADMM O=C([O-])c1ccccc1CN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC001602468862 1175250874 /nfs/dbraw/zinc/25/08/74/1175250874.db2.gz QNAKATKNSMQWNY-HUUCEWRRSA-N -1 1 291.347 1.765 20 0 CDADMM O=C([O-])c1cncc(C(=O)Nc2nc(-c3ccco3)n[nH]2)c1 ZINC001602537029 1175278330 /nfs/dbraw/zinc/27/83/30/1175278330.db2.gz UXCWXJVWZKJOHD-UHFFFAOYSA-N -1 1 299.246 1.410 20 0 CDADMM O=C([O-])[C@@H]1CC=C[C@H](OC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001602619248 1175327730 /nfs/dbraw/zinc/32/77/30/1175327730.db2.gz NVQSPCOKJYIECJ-ZJUUUORDSA-N -1 1 290.319 1.865 20 0 CDADMM O=C([O-])c1ccoc1CN1CCC2=C(CCC(=O)N2)C1 ZINC001602642022 1175336336 /nfs/dbraw/zinc/33/63/36/1175336336.db2.gz APPQQFVYYBGIGS-UHFFFAOYSA-N -1 1 276.292 1.348 20 0 CDADMM CC(=O)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(C)C ZINC001602911242 1175449234 /nfs/dbraw/zinc/44/92/34/1175449234.db2.gz ACGZMQIXQFUYDC-JTQLQIEISA-N -1 1 294.336 1.699 20 0 CDADMM CC(=O)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(C)C ZINC001602911242 1175449235 /nfs/dbraw/zinc/44/92/35/1175449235.db2.gz ACGZMQIXQFUYDC-JTQLQIEISA-N -1 1 294.336 1.699 20 0 CDADMM C/C(=C\C(=O)[O-])CN1CCc2nc(C(C)C)ncc2C1 ZINC001602957903 1175459259 /nfs/dbraw/zinc/45/92/59/1175459259.db2.gz KOFJEYOVWMEWAN-IZZDOVSWSA-N -1 1 275.352 1.989 20 0 CDADMM CC(=O)c1cccc(Cn2cc(-c3nn[n-]n3)ccc2=O)c1 ZINC001602979129 1175470412 /nfs/dbraw/zinc/47/04/12/1175470412.db2.gz MYZRBGCCMGXQJT-UHFFFAOYSA-N -1 1 295.302 1.279 20 0 CDADMM CC(C)C[C@@H](C)COc1cnc(-c2nn[n-]n2)nc1 ZINC001603259967 1175529147 /nfs/dbraw/zinc/52/91/47/1175529147.db2.gz RXJJWEDFHSXZTL-SECBINFHSA-N -1 1 262.317 1.718 20 0 CDADMM CC(C)CC[C@@H](O)COc1cccnc1-c1nnn[n-]1 ZINC001603278262 1175529957 /nfs/dbraw/zinc/52/99/57/1175529957.db2.gz LLTKXNGSGOSQOP-SNVBAGLBSA-N -1 1 277.328 1.438 20 0 CDADMM CC(C)CC[C@@H](O)COc1cccnc1-c1nn[n-]n1 ZINC001603278262 1175529966 /nfs/dbraw/zinc/52/99/66/1175529966.db2.gz LLTKXNGSGOSQOP-SNVBAGLBSA-N -1 1 277.328 1.438 20 0 CDADMM CC(C)(C)N1CCc2nc(NC(=O)CC(=O)[O-])sc2C1 ZINC001603345218 1175545366 /nfs/dbraw/zinc/54/53/66/1175545366.db2.gz FLXAOXDTRKKJSW-UHFFFAOYSA-N -1 1 297.380 1.713 20 0 CDADMM CC(C)c1cccc(Nc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001603401448 1175550991 /nfs/dbraw/zinc/55/09/91/1175550991.db2.gz GHWWKZAUXAEXMN-UHFFFAOYSA-N -1 1 281.323 1.946 20 0 CDADMM C[C@@H](CCO)CCNc1cccc(-c2nnn[n-]2)n1 ZINC001603495654 1175559244 /nfs/dbraw/zinc/55/92/44/1175559244.db2.gz SPKTYXGEHZESKX-SECBINFHSA-N -1 1 262.317 1.082 20 0 CDADMM C[C@@H](CCO)CCNc1cccc(-c2nn[n-]n2)n1 ZINC001603495654 1175559253 /nfs/dbraw/zinc/55/92/53/1175559253.db2.gz SPKTYXGEHZESKX-SECBINFHSA-N -1 1 262.317 1.082 20 0 CDADMM C[C@@H](Cc1cccnc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001603584469 1175571055 /nfs/dbraw/zinc/57/10/55/1175571055.db2.gz CEPPNIBUNVAXNB-VIFPVBQESA-N -1 1 282.311 1.095 20 0 CDADMM C[C@@H](Cc1cccnc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001603584469 1175571061 /nfs/dbraw/zinc/57/10/61/1175571061.db2.gz CEPPNIBUNVAXNB-VIFPVBQESA-N -1 1 282.311 1.095 20 0 CDADMM CC(C)(CCS(C)(=O)=O)NCc1cc(C(=O)[O-])co1 ZINC001603612783 1175578352 /nfs/dbraw/zinc/57/83/52/1175578352.db2.gz HVXCUIOPYWTYIH-UHFFFAOYSA-N -1 1 289.353 1.281 20 0 CDADMM C[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001603688600 1175598259 /nfs/dbraw/zinc/59/82/59/1175598259.db2.gz VYLDAKDCRPMNKD-SNVBAGLBSA-N -1 1 266.308 1.857 20 0 CDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001603688600 1175598261 /nfs/dbraw/zinc/59/82/61/1175598261.db2.gz VYLDAKDCRPMNKD-SNVBAGLBSA-N -1 1 266.308 1.857 20 0 CDADMM CC(C)[C@@]1(CO)CCC[N@@H+](Cc2ccc(C(=O)[O-])n2C)C1 ZINC001603748916 1175615123 /nfs/dbraw/zinc/61/51/23/1175615123.db2.gz LOZFDPYENGIQLQ-INIZCTEOSA-N -1 1 294.395 1.954 20 0 CDADMM C[C@]1(C(F)(F)F)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001603754658 1175618158 /nfs/dbraw/zinc/61/81/58/1175618158.db2.gz DWEVXEMUUXQDST-JTQLQIEISA-N -1 1 299.260 1.435 20 0 CDADMM C[C@]1(C(F)(F)F)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001603754658 1175618160 /nfs/dbraw/zinc/61/81/60/1175618160.db2.gz DWEVXEMUUXQDST-JTQLQIEISA-N -1 1 299.260 1.435 20 0 CDADMM C[C@@]1(CNc2cncc(-c3nnn[n-]3)n2)CCCC[C@@H]1O ZINC001603806396 1175637462 /nfs/dbraw/zinc/63/74/62/1175637462.db2.gz BCSOUXFXNWVJLB-GWCFXTLKSA-N -1 1 289.343 1.010 20 0 CDADMM C[C@@]1(CNc2cncc(-c3nn[n-]n3)n2)CCCC[C@@H]1O ZINC001603806396 1175637466 /nfs/dbraw/zinc/63/74/66/1175637466.db2.gz BCSOUXFXNWVJLB-GWCFXTLKSA-N -1 1 289.343 1.010 20 0 CDADMM CC1(c2ccccc2)CN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001603821543 1175642951 /nfs/dbraw/zinc/64/29/51/1175642951.db2.gz MSWZXGCLBVHSIV-UHFFFAOYSA-N -1 1 293.334 1.435 20 0 CDADMM C[C@@H]1C[C@@H](C)[C@H](C)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001603844404 1175651691 /nfs/dbraw/zinc/65/16/91/1175651691.db2.gz BWYXTDFVGYYMMC-BBBLOLIVSA-N -1 1 273.344 1.528 20 0 CDADMM C[C@H]1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)O1 ZINC001603886412 1175670112 /nfs/dbraw/zinc/67/01/12/1175670112.db2.gz KOBRPKVUSXBNCW-IUCAKERBSA-N -1 1 275.316 1.026 20 0 CDADMM C[C@H]1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)O1 ZINC001603886412 1175670115 /nfs/dbraw/zinc/67/01/15/1175670115.db2.gz KOBRPKVUSXBNCW-IUCAKERBSA-N -1 1 275.316 1.026 20 0 CDADMM CC(C)N1CCC[C@@H]1C(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC001603893727 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CC[C@H](CO)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001604039741 1175729674 /nfs/dbraw/zinc/72/96/74/1175729674.db2.gz JVVQQJCKZHCBQS-RXMQYKEDSA-N -1 1 288.764 1.184 20 0 CDADMM O=C1CC[C@@H]2CN(Cc3cc(F)c([O-])c(F)c3)CCN12 ZINC000211666478 1175785813 /nfs/dbraw/zinc/78/58/13/1175785813.db2.gz IJTQMXBLUXPVFS-SNVBAGLBSA-N -1 1 282.290 1.477 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc([O-])cc2F)CCN1C ZINC000221455332 1177917755 /nfs/dbraw/zinc/91/77/55/1177917755.db2.gz QTVNPPYTGIGALV-SECBINFHSA-N -1 1 252.289 1.307 20 0 CDADMM O=C(N[C@@H]1CN2CCC1CC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000236564963 1178330250 /nfs/dbraw/zinc/33/02/50/1178330250.db2.gz KADDBFBLOYJCTP-LLVKDONJSA-N -1 1 291.307 1.124 20 0 CDADMM CN1CCN(C(=O)c2ccc([O-])cc2F)C(C)(C)C1=O ZINC000164763097 1180795266 /nfs/dbraw/zinc/79/52/66/1180795266.db2.gz FXNLQRZMJZJSLW-UHFFFAOYSA-N -1 1 280.299 1.224 20 0 CDADMM O=C(c1cncc([O-])c1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000178817577 1182199776 /nfs/dbraw/zinc/19/97/76/1182199776.db2.gz 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CCc1cccc(C(=O)N2CC[C@H](c3nn[n-]n3)C2)c1O ZINC001548764504 967842060 /nfs/dbraw/zinc/84/20/60/967842060.db2.gz PGXLWLXKGMKGNV-JTQLQIEISA-N -1 1 287.323 1.097 20 0 CDADMM CCOc1cccc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)c1 ZINC001548766228 967848759 /nfs/dbraw/zinc/84/87/59/967848759.db2.gz ASKRMKNGJVDDMP-LLVKDONJSA-N -1 1 287.323 1.228 20 0 CDADMM O=C([O-])CC[N@H+]1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC001549037720 967986248 /nfs/dbraw/zinc/98/62/48/967986248.db2.gz RDTNOUQMYKRLBD-RYUDHWBXSA-N -1 1 263.293 1.261 20 0 CDADMM COc1ccnc(OC)c1C(=O)[N-]c1conc1C ZINC001353498254 968018510 /nfs/dbraw/zinc/01/85/10/968018510.db2.gz JGRTXACYOAZPLI-UHFFFAOYSA-N -1 1 263.253 1.648 20 0 CDADMM CC(C)(C)c1nnc(CN2C[C@H](C(=O)[O-])[C@@H](C3CC3)C2)[nH]1 ZINC001549117020 968027414 /nfs/dbraw/zinc/02/74/14/968027414.db2.gz OSDWSCLHEQAEBV-MNOVXSKESA-N -1 1 292.383 1.645 20 0 CDADMM CN1CC2(C1)CCN(C(=O)c1cccc(C(=O)[O-])c1)C2 ZINC000398900670 968284955 /nfs/dbraw/zinc/28/49/55/968284955.db2.gz HQYDEDPNKURLDI-UHFFFAOYSA-N -1 1 274.320 1.163 20 0 CDADMM Cn1ncc(C(=O)[O-])c1CN1CCC2(CC2(F)F)CC1 ZINC000405136504 968330565 /nfs/dbraw/zinc/33/05/65/968330565.db2.gz UNNXNPHNOHGEBZ-UHFFFAOYSA-N -1 1 285.294 1.740 20 0 CDADMM O=C([O-])[C@@H](C1CC1)[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001549924017 968412314 /nfs/dbraw/zinc/41/23/14/968412314.db2.gz SUVMDTOKPQULEG-MGPQQGTHSA-N -1 1 289.331 1.650 20 0 CDADMM O=C(NC[C@H]1C[C@H]1C1CCOCC1)c1cncc([O-])c1 ZINC001549957840 968440010 /nfs/dbraw/zinc/44/00/10/968440010.db2.gz CYNFBXFVNUFUJR-RISCZKNCSA-N -1 1 276.336 1.580 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCC(C)=C(C)C1 ZINC001528382406 968842677 /nfs/dbraw/zinc/84/26/77/968842677.db2.gz AOTBRMZUJKVDBF-UHFFFAOYSA-N -1 1 279.365 1.962 20 0 CDADMM CO[C@](C)(CNC(=O)c1c(C)[nH]c(=O)[n-]c1=S)C1CC1 ZINC001528434737 968850655 /nfs/dbraw/zinc/85/06/55/968850655.db2.gz VGHGVRXUEVPTIH-CYBMUJFWSA-N -1 1 297.380 1.324 20 0 CDADMM Cc1nc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)oc1C ZINC000693496665 968938872 /nfs/dbraw/zinc/93/88/72/968938872.db2.gz QKYWIUNMFUPIOH-GZMMTYOYSA-N -1 1 252.314 1.834 20 0 CDADMM Cn1ncc(CN[C@H](C(=O)[O-])c2ccccc2)c1Cl ZINC000712451941 969063152 /nfs/dbraw/zinc/06/31/52/969063152.db2.gz ZTRNPRAWWPZXIC-NSHDSACASA-N -1 1 279.727 1.989 20 0 CDADMM CC[C@H](OC1CCCCC1)C(=O)OCc1nn[n-]n1 ZINC001515651821 969908786 /nfs/dbraw/zinc/90/87/86/969908786.db2.gz DOXMJZRQNSFFMD-JTQLQIEISA-N -1 1 268.317 1.371 20 0 CDADMM Cc1nc([C@@](C)(NC(=O)c2ccc([O-])cn2)C2CC2)no1 ZINC001468438947 970164562 /nfs/dbraw/zinc/16/45/62/970164562.db2.gz DVMPKIDKFABXGG-AWEZNQCLSA-N -1 1 288.307 1.534 20 0 CDADMM CC(=O)CCCCCCC(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001521814534 970359525 /nfs/dbraw/zinc/35/95/25/970359525.db2.gz MWRDOYGWJZYYBX-GFCCVEGCSA-N -1 1 293.371 1.445 20 0 CDADMM CSc1ncc(C(=O)NCCc2ccncc2)c(=O)[n-]1 ZINC001361681037 970414932 /nfs/dbraw/zinc/41/49/32/970414932.db2.gz ISUFKKDTFDJOGW-UHFFFAOYSA-N -1 1 290.348 1.272 20 0 CDADMM O=C([N-]c1c(Cl)cncc1Cl)c1cnsn1 ZINC001361759328 970501711 /nfs/dbraw/zinc/50/17/11/970501711.db2.gz KASMKBCGIZURNL-UHFFFAOYSA-N -1 1 275.120 1.914 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC001472569600 970667279 /nfs/dbraw/zinc/66/72/79/970667279.db2.gz DKEIHAWFCGIHMY-VXGBXAGGSA-N -1 1 287.319 1.874 20 0 CDADMM CO[C@@](C)(C(=O)Nc1c[n-][nH]c1=O)c1ccccc1F ZINC001472570531 970667302 /nfs/dbraw/zinc/66/73/02/970667302.db2.gz HVYGUSUYHFFBQI-CYBMUJFWSA-N -1 1 279.271 1.755 20 0 CDADMM CCC[C@H]1[C@H](C)CCCN1CCS(=O)(=O)CC(=O)[O-] ZINC001610195256 970697763 /nfs/dbraw/zinc/69/77/63/970697763.db2.gz ICCCSRWYQLJKLU-NEPJUHHUSA-N -1 1 291.413 1.386 20 0 CDADMM C[C@@]1(Br)C[C@H]1c1nc([C@@H](N)CC(=O)[O-])no1 ZINC001603290403 972545137 /nfs/dbraw/zinc/54/51/37/972545137.db2.gz LCJVVGMDROBTEO-DQSPEZDDSA-N -1 1 290.117 1.185 20 0 CDADMM CN(CCC(=O)[O-])Cc1c2c(nn1C)CCSC2 ZINC001604149412 972553577 /nfs/dbraw/zinc/55/35/77/972553577.db2.gz DJMUEAWPVVMNNM-UHFFFAOYSA-N -1 1 269.370 1.116 20 0 CDADMM CN(C(=O)c1ccsc1CC(=O)[O-])[C@@H]1CCCN(C)C1 ZINC000394233430 972688590 /nfs/dbraw/zinc/68/85/90/972688590.db2.gz ITMNAIFWWWHTKT-SNVBAGLBSA-N -1 1 296.392 1.541 20 0 CDADMM Cc1cc(C(=O)CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)c(C)[nH]1 ZINC001605102114 972757190 /nfs/dbraw/zinc/75/71/90/972757190.db2.gz NNZLDLLTMXHOOQ-BXKDBHETSA-N -1 1 278.352 1.857 20 0 CDADMM C[C@@H]1C[C@H](NCCCCCC(=O)[O-])c2ncnn21 ZINC001603381458 972963216 /nfs/dbraw/zinc/96/32/16/972963216.db2.gz YWYYLLQTSOIXJK-ZJUUUORDSA-N -1 1 252.318 1.519 20 0 CDADMM Cc1cc(C[C@@H](C)NC(=O)c2ccc([O-])cc2F)[nH]n1 ZINC001417679991 973277137 /nfs/dbraw/zinc/27/71/37/973277137.db2.gz LTPHIDWCJAPCBH-MRVPVSSYSA-N -1 1 277.299 1.924 20 0 CDADMM C[C@H]1CN(CN2CCC3(CCC3)C2=O)CC[C@@H]1C(=O)[O-] ZINC001603460508 973290496 /nfs/dbraw/zinc/29/04/96/973290496.db2.gz HTSUIFAIJNAEON-RYUDHWBXSA-N -1 1 280.368 1.389 20 0 CDADMM CC1(CO)CCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000401797134 973395143 /nfs/dbraw/zinc/39/51/43/973395143.db2.gz ZGYPJMXVZIAKMC-UHFFFAOYSA-N -1 1 253.298 1.572 20 0 CDADMM COC[C@]1(C(=O)[O-])CCN(Cc2nc3ccccc3[nH]2)C1 ZINC001604541317 973518349 /nfs/dbraw/zinc/51/83/49/973518349.db2.gz MWCWLTHXKUFNDZ-HNNXBMFYSA-N -1 1 289.335 1.486 20 0 CDADMM Cn1nc(C(=O)[O-])cc1CN1CC(C)(C)CC[C@H]1CO ZINC001605538745 973730295 /nfs/dbraw/zinc/73/02/95/973730295.db2.gz GCULMCHTWLHJSO-JTQLQIEISA-N -1 1 281.356 1.101 20 0 CDADMM Cn1ncc(C(=O)[O-])c1CN1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC001605550678 973767934 /nfs/dbraw/zinc/76/79/34/973767934.db2.gz VDYYYUZJLYOUTO-YPMHNXCESA-N -1 1 295.383 1.347 20 0 CDADMM CC(C)OC[C@H](C(=O)[O-])N(C)C[C@H](O)C1CCCCC1 ZINC001591711463 975594163 /nfs/dbraw/zinc/59/41/63/975594163.db2.gz FSZBAFWLFZRDSH-KGLIPLIRSA-N -1 1 287.400 1.738 20 0 CDADMM C[C@H](NC(=O)N1CCC(c2nn[n-]n2)CC1)C(F)(F)F ZINC001414466717 977205871 /nfs/dbraw/zinc/20/58/71/977205871.db2.gz PVBMIACZSQJACQ-LURJTMIESA-N -1 1 292.265 1.040 20 0 CDADMM CC[C@](COC)(NCc1cc(Cl)n(C)n1)C(=O)[O-] ZINC000706146014 977308355 /nfs/dbraw/zinc/30/83/55/977308355.db2.gz VNNZZILVRRNYSW-LLVKDONJSA-N -1 1 275.736 1.043 20 0 CDADMM CCC1(O)CCN(Cc2oncc2C(=O)[O-])CC1 ZINC000707450213 977390325 /nfs/dbraw/zinc/39/03/25/977390325.db2.gz OJXRSCPWMOYTPM-UHFFFAOYSA-N -1 1 254.286 1.110 20 0 CDADMM C[C@@](CC(=O)[O-])(NCC(=O)N1CCC1)c1cccc(F)c1 ZINC001592321994 977724473 /nfs/dbraw/zinc/72/44/73/977724473.db2.gz ODEZZEDAXSGEKT-HNNXBMFYSA-N -1 1 294.326 1.338 20 0 CDADMM O=C([O-])CC1(CC(=O)NC23CCN(CC2)C3)CCCC1 ZINC000715782062 977784411 /nfs/dbraw/zinc/78/44/11/977784411.db2.gz BUWPXTYMYUKQRE-UHFFFAOYSA-N -1 1 280.368 1.376 20 0 CDADMM C[C@H](C[N@H+](C)CC(=O)[O-])C(=O)c1ccc([O-])cc1 ZINC001592583642 978500102 /nfs/dbraw/zinc/50/01/02/978500102.db2.gz WTGGKJPWUYXDPB-SECBINFHSA-N -1 1 251.282 1.227 20 0 CDADMM C[C@H](C[N@@H+](C)CC(=O)[O-])C(=O)c1ccc([O-])cc1 ZINC001592583642 978500106 /nfs/dbraw/zinc/50/01/06/978500106.db2.gz WTGGKJPWUYXDPB-SECBINFHSA-N -1 1 251.282 1.227 20 0 CDADMM C[C@H](C[N@H+](C)[C@H](C)C(=O)[O-])C(=O)c1ccc([O-])cc1 ZINC001592588169 978511637 /nfs/dbraw/zinc/51/16/37/978511637.db2.gz BBWCQTQQBGLBIQ-NXEZZACHSA-N -1 1 265.309 1.616 20 0 CDADMM C[C@H](C[N@@H+](C)[C@H](C)C(=O)[O-])C(=O)c1ccc([O-])cc1 ZINC001592588169 978511641 /nfs/dbraw/zinc/51/16/41/978511641.db2.gz BBWCQTQQBGLBIQ-NXEZZACHSA-N -1 1 265.309 1.616 20 0 CDADMM C[C@@H](C[N@@H+]1CCC[C@@H]1C(=O)[O-])C(=O)c1ccc([O-])cc1 ZINC001592615661 978576045 /nfs/dbraw/zinc/57/60/45/978576045.db2.gz LHIAQJDOPXWLRJ-GXFFZTMASA-N -1 1 277.320 1.760 20 0 CDADMM C[C@@H](C[N@H+]1CCC[C@@H]1C(=O)[O-])C(=O)c1ccc([O-])cc1 ZINC001592615661 978576047 /nfs/dbraw/zinc/57/60/47/978576047.db2.gz LHIAQJDOPXWLRJ-GXFFZTMASA-N -1 1 277.320 1.760 20 0 CDADMM C[C@@H](Cc1cnc[nH]1)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001592906002 979840384 /nfs/dbraw/zinc/84/03/84/979840384.db2.gz AWEGJVLVNUEADR-NSHDSACASA-N -1 1 293.367 1.834 20 0 CDADMM CC[C@H](N[C@H]1CCc2ccccc2NC1=O)C(=O)[O-] ZINC001595284252 980354354 /nfs/dbraw/zinc/35/43/54/980354354.db2.gz RITCMJPMEDZUES-JQWIXIFHSA-N -1 1 262.309 1.393 20 0 CDADMM CC[C@H]1CCC[C@@]1(C)C(=O)N1CCN(CC(=O)[O-])CC1 ZINC001595434687 981060402 /nfs/dbraw/zinc/06/04/02/981060402.db2.gz BBKNIYPYKIBJCH-SWLSCSKDSA-N -1 1 282.384 1.432 20 0 CDADMM CC[C@H]1CN(CC)CCN1C(=O)NCC(C)(C)CC(=O)[O-] ZINC001595483767 981214129 /nfs/dbraw/zinc/21/41/29/981214129.db2.gz QRLYVPYIGGQCPZ-LBPRGKRZSA-N -1 1 299.415 1.613 20 0 CDADMM CCC/C=C/C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001595624268 981730636 /nfs/dbraw/zinc/73/06/36/981730636.db2.gz RCYVOGVBQFCDDD-BTDICHCPSA-N -1 1 268.357 1.350 20 0 CDADMM CCCC[C@@H](NC(=O)[C@@H]1CCN1C1CCCC1)C(=O)[O-] ZINC001595635007 981897382 /nfs/dbraw/zinc/89/73/82/981897382.db2.gz RTRNLMKRCNOSMB-OLZOCXBDSA-N -1 1 282.384 1.763 20 0 CDADMM CCCCCC[C@](O)(CN1CC[C@@H](O)[C@@H](F)C1)C(=O)[O-] ZINC001595699598 982259667 /nfs/dbraw/zinc/25/96/67/982259667.db2.gz ZXKYJYRKAQEZCS-SCRDCRAPSA-N -1 1 291.363 1.177 20 0 CDADMM CCCN(CC(=O)[O-])CN1Cc2c(c(F)ccc2F)C1=O ZINC001595855194 982783809 /nfs/dbraw/zinc/78/38/09/982783809.db2.gz CSNILSGREBVVND-UHFFFAOYSA-N -1 1 298.289 1.675 20 0 CDADMM O=C([O-])c1cccc(CN2CC[C@@H]3[C@H](C2)C3(F)F)n1 ZINC001574415944 983241157 /nfs/dbraw/zinc/24/11/57/983241157.db2.gz YTOWMEQHASECCB-ZJUUUORDSA-N -1 1 268.263 1.867 20 0 CDADMM CCOC(=O)/C=C/CN[C@@](C)(CC(=O)[O-])c1ccccn1 ZINC001596583113 984500080 /nfs/dbraw/zinc/50/00/80/984500080.db2.gz JWLJFYCOSRISEH-VFADXPBXSA-N -1 1 292.335 1.480 20 0 CDADMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CC(N2CCCC2)C1 ZINC001599956236 985694366 /nfs/dbraw/zinc/69/43/66/985694366.db2.gz NOHXTWSIIFHKFE-UHFFFAOYSA-N -1 1 291.351 1.250 20 0 CDADMM Cc1[nH]c(CN(C)[C@H](CO)COC(C)C)cc1C(=O)[O-] ZINC001599963056 985833099 /nfs/dbraw/zinc/83/30/99/985833099.db2.gz VWXXHHXLFNXMGD-GFCCVEGCSA-N -1 1 284.356 1.239 20 0 CDADMM Cc1nc[nH]c1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001599967258 985929644 /nfs/dbraw/zinc/92/96/44/985929644.db2.gz AGQGMTOMSVVTCF-UHFFFAOYSA-N -1 1 263.228 1.808 20 0 CDADMM CCOc1ccc(CN[C@H](CF)C(=O)[O-])cc1F ZINC001597100739 986709232 /nfs/dbraw/zinc/70/92/32/986709232.db2.gz GROVTSMHRCQRLF-SNVBAGLBSA-N -1 1 259.252 1.737 20 0 CDADMM C[C@H]1CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)[C@H]1C ZINC001604753241 1163309473 /nfs/dbraw/zinc/30/94/73/1163309473.db2.gz UUDUZSDZQQHBHU-UWVGGRQHSA-N -1 1 277.324 1.449 20 0 CDADMM C/C=C/C=C/C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001594680917 987022413 /nfs/dbraw/zinc/02/24/13/987022413.db2.gz DXBGCFVBORXLPB-KVOZUEDISA-N -1 1 266.341 1.126 20 0 CDADMM CCOc1ccccc1[C@H](N)CC(=O)N[C@H](CC)C(=O)[O-] ZINC001597184983 987045069 /nfs/dbraw/zinc/04/50/69/987045069.db2.gz DIUUAJMFMBOGOT-VXGBXAGGSA-N -1 1 294.351 1.455 20 0 CDADMM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)CCN1CC[C@H](F)C1 ZINC001589700695 987792681 /nfs/dbraw/zinc/79/26/81/987792681.db2.gz OOMHUKIBVVUMKT-QWRGUYRKSA-N -1 1 288.363 1.426 20 0 CDADMM CCc1cc(C)c(C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)o1 ZINC001597470820 987924662 /nfs/dbraw/zinc/92/46/62/987924662.db2.gz YLBMISMHOHMPLK-LLVKDONJSA-N -1 1 294.351 1.239 20 0 CDADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1C[C@@H](C)[C@@H]1C ZINC001604785572 1163323043 /nfs/dbraw/zinc/32/30/43/1163323043.db2.gz GHFBIRRNHIYVOE-OUAUKWLOSA-N -1 1 268.357 1.038 20 0 CDADMM CCc1cc(CNC(=O)c2ccoc2CC(=O)[O-])n[nH]1 ZINC001597478443 987961672 /nfs/dbraw/zinc/96/16/72/987961672.db2.gz MRPHUEQKUQCDSY-UHFFFAOYSA-N -1 1 277.280 1.122 20 0 CDADMM C[C@H]1OCC[C@]12CN(Cc1c[nH]c(C(=O)[O-])c1)C[C@@H](C)O2 ZINC001604797138 1163328119 /nfs/dbraw/zinc/32/81/19/1163328119.db2.gz IESDJXHSBSVGGT-HFAKWTLXSA-N -1 1 294.351 1.481 20 0 CDADMM CCc1nc([C@@H](C)NCc2cc(C(=O)[O-])c(C)n2C)n[nH]1 ZINC001597656111 988707005 /nfs/dbraw/zinc/70/70/05/988707005.db2.gz KUGZGSMVCQJGHE-MRVPVSSYSA-N -1 1 291.355 1.563 20 0 CDADMM C[C@@H]1CN(C(=O)[C@H]2CCN2C(C)(C)C)C[C@H]1CC(=O)[O-] ZINC001599853531 989051872 /nfs/dbraw/zinc/05/18/72/989051872.db2.gz APFKLSFXNYHVKV-IJLUTSLNSA-N -1 1 282.384 1.428 20 0 CDADMM CCc1nocc1CN1CCSC[C@@H]1CC(=O)[O-] ZINC001597756527 989174278 /nfs/dbraw/zinc/17/42/78/989174278.db2.gz LKMUCPWVWZVGGG-JTQLQIEISA-N -1 1 270.354 1.629 20 0 CDADMM CCn1cncc1CN[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC001597922763 989855929 /nfs/dbraw/zinc/85/59/29/989855929.db2.gz JNEBGZMSUSGRMT-HNNXBMFYSA-N -1 1 288.351 1.778 20 0 CDADMM CC(C)(C)[C@H](NCC(=O)NCc1ccc(F)cc1)C(=O)[O-] ZINC001590444537 990005156 /nfs/dbraw/zinc/00/51/56/990005156.db2.gz OVPGBRAAYGXGDU-CYBMUJFWSA-N -1 1 296.342 1.531 20 0 CDADMM CN(C)C(=O)NCC[N@@H+](C)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001598139925 990600428 /nfs/dbraw/zinc/60/04/28/990600428.db2.gz IJPWIDQCVKMHBX-LBPRGKRZSA-N -1 1 297.330 1.154 20 0 CDADMM CN(C)Cc1ccsc1C(=O)NCC1(C(=O)[O-])CC1 ZINC001598253972 991053517 /nfs/dbraw/zinc/05/35/17/991053517.db2.gz RJVMQDJJCIBSPR-UHFFFAOYSA-N -1 1 282.365 1.404 20 0 CDADMM COc1ncccc1CNCc1cc(C(=O)[O-])n(C)c1 ZINC001599737594 991798486 /nfs/dbraw/zinc/79/84/86/991798486.db2.gz RTVDUXVUSOEDBR-UHFFFAOYSA-N -1 1 275.308 1.417 20 0 CDADMM COc1nsc(CNC[C@@H]2CC(C)=NO2)c1C(=O)[O-] ZINC001599741276 991860334 /nfs/dbraw/zinc/86/03/34/991860334.db2.gz BXAXEEIVWXJHJO-ZETCQYMHSA-N -1 1 285.325 1.104 20 0 CDADMM CN(C[C@H]1CCC=CO1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598453148 991912256 /nfs/dbraw/zinc/91/22/56/991912256.db2.gz BMHAHDAIDWTIRO-OLZOCXBDSA-N -1 1 269.341 1.633 20 0 CDADMM CN(CCC(=O)[O-])[C@H](c1nnc[nH]1)c1ccccc1 ZINC001598469597 992004018 /nfs/dbraw/zinc/00/40/18/992004018.db2.gz NWIMMYLJFVGPIP-LBPRGKRZSA-N -1 1 260.297 1.301 20 0 CDADMM CC(C)CC[C@H](O)CNC(C)(C)c1nocc1C(=O)[O-] ZINC001591223070 992094649 /nfs/dbraw/zinc/09/46/49/992094649.db2.gz WCVMEQKFTUWPHO-JTQLQIEISA-N -1 1 284.356 1.995 20 0 CDADMM CC(C)CCN(CN1C[C@@H](C(=O)[O-])OC1=O)C1CC1 ZINC001591245179 992132829 /nfs/dbraw/zinc/13/28/29/992132829.db2.gz CBMICQXFKQWXMX-NSHDSACASA-N -1 1 270.329 1.360 20 0 CDADMM CN(Cc1nc2cc(C(=O)[O-])ccc2[nH]1)CC(C)(C)O ZINC001598536986 992852443 /nfs/dbraw/zinc/85/24/43/992852443.db2.gz JGCVKQUJWAVPKC-UHFFFAOYSA-N -1 1 277.324 1.464 20 0 CDADMM CC(C)N1C[C@@H](NCc2ccc(C(=O)[O-])cc2F)CC1=O ZINC001591611097 992862803 /nfs/dbraw/zinc/86/28/03/992862803.db2.gz WEZRBPNACCZEOB-LBPRGKRZSA-N -1 1 294.326 1.623 20 0 CDADMM CC(C)NC(=O)[C@H](C)N[C@@H](C)c1cncc(C(=O)[O-])c1 ZINC001591640447 992954711 /nfs/dbraw/zinc/95/47/11/992954711.db2.gz YZISCQOASRQQIT-UWVGGRQHSA-N -1 1 279.340 1.344 20 0 CDADMM C[C@H](N[C@H](CO)CC1CC1)c1ncc(C(=O)[O-])s1 ZINC001593210518 994250558 /nfs/dbraw/zinc/25/05/58/994250558.db2.gz QXYCFPWHQQUJDD-CBAPKCEASA-N -1 1 270.354 1.653 20 0 CDADMM COc1cccc([C@H](C(=O)[O-])N2CCC3(C2)OCCO3)c1 ZINC001599649675 994476771 /nfs/dbraw/zinc/47/67/71/994476771.db2.gz HRZYASSWHAEDKO-CYBMUJFWSA-N -1 1 293.319 1.270 20 0 CDADMM C[C@H]([NH2+]CCc1c(F)cc([O-])cc1F)[C@H]1C[C@H]1C(=O)[O-] ZINC001593272796 994614040 /nfs/dbraw/zinc/61/40/40/994614040.db2.gz BVSYTMBHQLJBTG-WHGOUJPWSA-N -1 1 285.290 1.912 20 0 CDADMM COC(=O)[C@H](C)CN(C)Cc1cc(C(=O)[O-])ccc1F ZINC001598688745 995031128 /nfs/dbraw/zinc/03/11/28/995031128.db2.gz HZMFASQSKNSTOJ-SECBINFHSA-N -1 1 283.299 1.765 20 0 CDADMM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1CCC(C)C ZINC001598751315 995658271 /nfs/dbraw/zinc/65/82/71/995658271.db2.gz QBCOYDINIMBSSU-WDEREUQCSA-N -1 1 257.330 1.371 20 0 CDADMM COC(=O)[C@@H]1CC12CCN(Cc1cc(C(=O)[O-])no1)CC2 ZINC001598764629 995816015 /nfs/dbraw/zinc/81/60/15/995816015.db2.gz JPHVXZWNXBHAGD-JTQLQIEISA-N -1 1 294.307 1.148 20 0 CDADMM C[C@H](c1ncc(C(=O)[O-])s1)N1CCC[C@]1(C)CO ZINC001593732790 996315913 /nfs/dbraw/zinc/31/59/13/996315913.db2.gz ZOGWSHFVVXCRHN-PRHODGIISA-N -1 1 270.354 1.749 20 0 CDADMM COCCCC(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001605085759 1163446781 /nfs/dbraw/zinc/44/67/81/1163446781.db2.gz LXRWWLJUVAODRE-UHFFFAOYSA-N -1 1 282.325 1.398 20 0 CDADMM C[C@@]1(C(=O)[O-])CC[N@H+]([C@H](C(=O)[O-])c2ccsc2)C1 ZINC001593795867 996513284 /nfs/dbraw/zinc/51/32/84/996513284.db2.gz ZIDQWVYDSOWCNC-JOYOIKCWSA-N -1 1 269.322 1.670 20 0 CDADMM CC[C@@H](NCc1cc(C)c(C(=O)[O-])o1)[C@H](O)C(F)F ZINC001605097993 1163451667 /nfs/dbraw/zinc/45/16/67/1163451667.db2.gz BNHHRIFBWSEVJA-BDAKNGLRSA-N -1 1 277.267 1.780 20 0 CDADMM COC(=O)N(C)CCN(C)[C@@H](C(=O)[O-])c1ccccc1F ZINC001598876839 996768126 /nfs/dbraw/zinc/76/81/26/996768126.db2.gz LPADZMFOZZROOM-GFCCVEGCSA-N -1 1 298.314 1.581 20 0 CDADMM COC(=O)[C@@H]1CCCC[C@@H]1NCc1cc(C(=O)[O-])no1 ZINC001598894991 997064729 /nfs/dbraw/zinc/06/47/29/997064729.db2.gz BHRVOHFJICAMIO-ZJUUUORDSA-N -1 1 282.296 1.194 20 0 CDADMM CO[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001605145118 1163466987 /nfs/dbraw/zinc/46/69/87/1163466987.db2.gz VEPKCLZPYKCFRY-RXMQYKEDSA-N -1 1 286.748 1.202 20 0 CDADMM C[C@]1(c2nc(-c3ccc(C(=O)[O-])cc3)no2)CNCCO1 ZINC001594082051 997987568 /nfs/dbraw/zinc/98/75/68/997987568.db2.gz WLDHJBAAYOBDGU-CQSZACIVSA-N -1 1 289.291 1.270 20 0 CDADMM COC[C@](C)(CC(=O)[O-])NCc1nc2c(s1)CCC2 ZINC001599150438 998288118 /nfs/dbraw/zinc/28/81/18/998288118.db2.gz LUQNVVGZSWVRPC-ZDUSSCGKSA-N -1 1 284.381 1.601 20 0 CDADMM C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC001594210227 998816802 /nfs/dbraw/zinc/81/68/02/998816802.db2.gz QCMFVNWRDYTCIF-JQWIXIFHSA-N -1 1 277.320 1.927 20 0 CDADMM COC(=O)c1ccoc1CN1CCC[C@H]1CC(=O)[O-] ZINC001599004120 998843426 /nfs/dbraw/zinc/84/34/26/998843426.db2.gz FOOBJGKSQXFSKV-VIFPVBQESA-N -1 1 267.281 1.505 20 0 CDADMM C[C@@H]1CC[C@@H](C(=O)N2CCN(CC(=O)[O-])CC2)C[C@H]1C ZINC001594291799 999125200 /nfs/dbraw/zinc/12/52/00/999125200.db2.gz LWNLEZDJLIKCGJ-JHJVBQTASA-N -1 1 282.384 1.288 20 0 CDADMM C[C@H]1CCCC[C@@H]1OCCN1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001594371152 999399630 /nfs/dbraw/zinc/39/96/30/999399630.db2.gz NMXKDXNEKSDQLN-LOWDOPEQSA-N -1 1 271.357 1.102 20 0 CDADMM C[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)C[C@@H]1C(=O)[O-] ZINC001594412237 999540103 /nfs/dbraw/zinc/54/01/03/999540103.db2.gz JVKCOMAQTJLPEL-JIMOISOXSA-N -1 1 295.310 1.994 20 0 CDADMM CC1CCN(CC(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])CC1 ZINC001594414323 999545141 /nfs/dbraw/zinc/54/51/41/999545141.db2.gz BUKVBCPZEHHLEL-KGLIPLIRSA-N -1 1 296.411 1.868 20 0 CDADMM CS[C@H]1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001605370760 1163536691 /nfs/dbraw/zinc/53/66/91/1163536691.db2.gz GVXMAIANEZXLHN-IUCAKERBSA-N -1 1 291.384 1.377 20 0 CDADMM CS[C@H](C)CCC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001605368129 1163537808 /nfs/dbraw/zinc/53/78/08/1163537808.db2.gz ZNSYIQIRKKZOBJ-ZCFIWIBFSA-N -1 1 281.345 1.060 20 0 CDADMM CCN(CC(=O)NCCC(=O)[O-])Cc1ccc(C)cc1 ZINC001605413935 1163557141 /nfs/dbraw/zinc/55/71/41/1163557141.db2.gz QXNYFJGWCBMFFQ-UHFFFAOYSA-N -1 1 278.352 1.408 20 0 CDADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@@H]2CCC2(C)C)nn1C ZINC001605464423 1163574743 /nfs/dbraw/zinc/57/47/43/1163574743.db2.gz GKJWPUMXUKYZMT-QMMMGPOBSA-N -1 1 289.343 1.283 20 0 CDADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@@H]2CCC2(C)C)nn1C ZINC001605464423 1163574750 /nfs/dbraw/zinc/57/47/50/1163574750.db2.gz GKJWPUMXUKYZMT-QMMMGPOBSA-N -1 1 289.343 1.283 20 0 CDADMM CCc1nc([C@H](C)OC(=O)c2cccc(C(=O)[O-])n2)n[nH]1 ZINC001605842947 1163685204 /nfs/dbraw/zinc/68/52/04/1163685204.db2.gz YOKGROJOAFPBQN-ZETCQYMHSA-N -1 1 290.279 1.378 20 0 CDADMM Cc1nsc(N2[C@H](C)C[C@H]2C)c1-c1nn[n-]n1 ZINC001606142390 1163784406 /nfs/dbraw/zinc/78/44/06/1163784406.db2.gz FDUKZMXDNDDQJJ-PHDIDXHHSA-N -1 1 250.331 1.619 20 0 CDADMM Cc1nsc(N2CCC[C@H]([C@H](C)O)C2)c1-c1nn[n-]n1 ZINC001606144322 1163787096 /nfs/dbraw/zinc/78/70/96/1163787096.db2.gz CWRDCNZGEBKAHG-IUCAKERBSA-N -1 1 294.384 1.229 20 0 CDADMM CN(Cc1ccc(C(=O)[O-])n1C)C1CCS(=O)CC1 ZINC001606155699 1163790176 /nfs/dbraw/zinc/79/01/76/1163790176.db2.gz YDLRVIDMFHUBPN-UHFFFAOYSA-N -1 1 284.381 1.066 20 0 CDADMM FC1(F)CN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001592629896 1173938058 /nfs/dbraw/zinc/93/80/58/1173938058.db2.gz FUJLNNGXIIZXSH-UHFFFAOYSA-N -1 1 278.675 1.432 20 0 CDADMM FC1(F)CN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001592629896 1173938060 /nfs/dbraw/zinc/93/80/60/1173938060.db2.gz FUJLNNGXIIZXSH-UHFFFAOYSA-N -1 1 278.675 1.432 20 0 CDADMM O=S(=O)([N-]Cc1c[nH]cn1)c1cc(F)ccc1F ZINC000088759537 1173944388 /nfs/dbraw/zinc/94/43/88/1173944388.db2.gz XDDIEHMUVUMWST-UHFFFAOYSA-N -1 1 273.264 1.166 20 0 CDADMM O=C(OCC1=CCCC1)c1coc(-c2nnn[n-]2)c1 ZINC001593284289 1174051992 /nfs/dbraw/zinc/05/19/92/1174051992.db2.gz HBKTXQIENQSWHO-UHFFFAOYSA-N -1 1 260.253 1.727 20 0 CDADMM O=C(OCC1=CCCC1)c1coc(-c2nn[n-]n2)c1 ZINC001593284289 1174052001 /nfs/dbraw/zinc/05/20/01/1174052001.db2.gz HBKTXQIENQSWHO-UHFFFAOYSA-N -1 1 260.253 1.727 20 0 CDADMM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@@H]2N1Cc1ccnn1C ZINC001594338952 1174181230 /nfs/dbraw/zinc/18/12/30/1174181230.db2.gz GIMJUBGOKRMHDL-IXOXFDKPSA-N -1 1 279.340 1.015 20 0 CDADMM C[C@@H](C(=O)[O-])C1CN(C(=O)c2ccc(Cl)c(O)c2)C1 ZINC001573408031 1170659094 /nfs/dbraw/zinc/65/90/94/1170659094.db2.gz SIRNBVZTNRJYDP-SSDOTTSWSA-N -1 1 283.711 1.838 20 0 CDADMM C[C@H](C(=O)OC(C)(C)C)N(C[C@@H]1C[C@H]1C(=O)[O-])C1CC1 ZINC001573407506 1170659021 /nfs/dbraw/zinc/65/90/21/1170659021.db2.gz LCBZDPRJEIYEQY-JFGNBEQYSA-N -1 1 283.368 1.902 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)[C@H]1CCC(=O)c2cccn21 ZINC001654603352 1171624689 /nfs/dbraw/zinc/62/46/89/1171624689.db2.gz KPXVLUUXIQQXGG-SECBINFHSA-N -1 1 260.253 1.073 20 0 CDADMM C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)N(C)CCC(=O)[O-] ZINC000262612506 361733999 /nfs/dbraw/zinc/73/39/99/361733999.db2.gz CFQVMEUCFLYHBI-RYUDHWBXSA-N -1 1 290.363 1.759 20 0 CDADMM COC(=O)Cc1csc(NC(=O)c2cncc([O-])c2)n1 ZINC000111686329 342527028 /nfs/dbraw/zinc/52/70/28/342527028.db2.gz SZYSRANOWZMVFW-UHFFFAOYSA-N -1 1 293.304 1.212 20 0 CDADMM CN(CCOCC1CC1)Cc1ccoc1C(=O)[O-] ZINC000094990596 342062895 /nfs/dbraw/zinc/06/28/95/342062895.db2.gz PSEWLBJBRNSXMA-UHFFFAOYSA-N -1 1 253.298 1.836 20 0 CDADMM O=c1nc(CN2C[C@@H]3CCC(=O)c4cccc2c43)[nH][n-]1 ZINC000274301289 365618038 /nfs/dbraw/zinc/61/80/38/365618038.db2.gz 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MXIVDJIQRUYYRE-UHFFFAOYSA-N -1 1 284.341 1.354 20 0 CDADMM COCC(COC)SCc1ccc(-c2nn[n-]n2)o1 ZINC001591377540 1173636571 /nfs/dbraw/zinc/63/65/71/1173636571.db2.gz MXIVDJIQRUYYRE-UHFFFAOYSA-N -1 1 284.341 1.354 20 0 CDADMM CS[C@H](C)CC(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001591689620 1173680596 /nfs/dbraw/zinc/68/05/96/1173680596.db2.gz MFJGZTSOTVURDE-ZCFIWIBFSA-N -1 1 299.381 1.508 20 0 CDADMM CS[C@H](C)CC(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001591689620 1173680599 /nfs/dbraw/zinc/68/05/99/1173680599.db2.gz MFJGZTSOTVURDE-ZCFIWIBFSA-N -1 1 299.381 1.508 20 0 CDADMM CS[C@H]1CCCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001591689800 1173681829 /nfs/dbraw/zinc/68/18/29/1173681829.db2.gz IQNFGNIRFZFXHE-JTQLQIEISA-N -1 1 290.396 1.984 20 0 CDADMM CS[C@H]1CCCCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001591689800 1173681833 /nfs/dbraw/zinc/68/18/33/1173681833.db2.gz IQNFGNIRFZFXHE-JTQLQIEISA-N -1 1 290.396 1.984 20 0 CDADMM C[C@@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1ncc[nH]1 ZINC001591729610 1173692759 /nfs/dbraw/zinc/69/27/59/1173692759.db2.gz FICYJHXWKDDYNP-ZCFIWIBFSA-N -1 1 289.324 1.142 20 0 CDADMM C[C@@H](NC(N)=O)c1noc(-c2cc(F)ccc2[O-])n1 ZINC000350571361 316178813 /nfs/dbraw/zinc/17/88/13/316178813.db2.gz CFJQXTKXEKYXCG-RXMQYKEDSA-N -1 1 266.232 1.311 20 0 CDADMM CN(C)C(=O)Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350831201 316210257 /nfs/dbraw/zinc/21/02/57/316210257.db2.gz FCCLVBXSQBDZSI-UHFFFAOYSA-N -1 1 265.244 1.212 20 0 CDADMM C[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)N1CCOCC1 ZINC000350827282 316210571 /nfs/dbraw/zinc/21/05/71/316210571.db2.gz ZHUBPSIDXKMTLV-VIFPVBQESA-N -1 1 293.298 1.975 20 0 CDADMM [O-]c1ccc(-c2noc(Cn3cccn3)n2)c(F)c1 ZINC000350843352 316211940 /nfs/dbraw/zinc/21/19/40/316211940.db2.gz RMQLNKVVBPHDIT-UHFFFAOYSA-N -1 1 260.228 1.826 20 0 CDADMM O=C(c1cncc([O-])c1)N1CCC[C@H]1c1ncon1 ZINC000563402887 316293659 /nfs/dbraw/zinc/29/36/59/316293659.db2.gz UGXSGHBTMHFMQU-JTQLQIEISA-N -1 1 260.253 1.148 20 0 CDADMM Cc1cnc(SCCOCC(F)F)[n-]c1=O ZINC000571895498 316937148 /nfs/dbraw/zinc/93/71/48/316937148.db2.gz RROBIMUVUSWNKX-UHFFFAOYSA-N -1 1 250.270 1.864 20 0 CDADMM CC(C)(CCNC(=O)[C@@](C)(N)c1ccccc1)C(=O)[O-] ZINC000380291508 323612645 /nfs/dbraw/zinc/61/26/45/323612645.db2.gz RYHNRVFTXPXLBP-HNNXBMFYSA-N -1 1 278.352 1.478 20 0 CDADMM Cc1nn(C2CC(C)(C)C2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592435765 1173886794 /nfs/dbraw/zinc/88/67/94/1173886794.db2.gz BKMFVQSQECYCPT-UHFFFAOYSA-N -1 1 274.328 1.401 20 0 CDADMM O=C(C[C@@H]1CC[C@H]2C[C@H]21)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000583868079 325255726 /nfs/dbraw/zinc/25/57/26/325255726.db2.gz IIXTVKZIWBLRDI-SDDRHHMPSA-N -1 1 291.351 1.917 20 0 CDADMM Cc1nsc(NCCc2ccn(C)n2)c1-c1nn[n-]n1 ZINC001592491112 1173901738 /nfs/dbraw/zinc/90/17/38/1173901738.db2.gz DUQATXQTJVMOBO-UHFFFAOYSA-N -1 1 290.356 1.020 20 0 CDADMM CCc1cnc(=S)[n-]c1OC(=O)CCC[C@H](C)O ZINC001227060842 1160284720 /nfs/dbraw/zinc/28/47/20/1160284720.db2.gz FDSQQZFKUQIUAX-QMMMGPOBSA-N -1 1 270.354 1.784 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2cnn(CC(C)C)c2)c1[O-] ZINC000676699993 482429241 /nfs/dbraw/zinc/42/92/41/482429241.db2.gz YVYDQRLBWHJCKZ-UHFFFAOYSA-N -1 1 263.301 1.529 20 0 CDADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1ncnc2[nH]cnc21 ZINC000397046716 482498324 /nfs/dbraw/zinc/49/83/24/482498324.db2.gz VYKDGWJPCUOYFD-HTQZYQBOSA-N -1 1 261.285 1.042 20 0 CDADMM C[C@H](CC(=O)NCc1nn[n-]n1)c1c[nH]c2ccccc21 ZINC000683849966 482511224 /nfs/dbraw/zinc/51/12/24/482511224.db2.gz KOSANNNVRAZBNS-SECBINFHSA-N -1 1 284.323 1.491 20 0 CDADMM O=C([O-])[C@@H]1CCCCN1C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000680895637 482608021 /nfs/dbraw/zinc/60/80/21/482608021.db2.gz BDGJKCGKFVHPMS-CABZTGNLSA-N -1 1 277.324 1.295 20 0 CDADMM Nc1nc(C2CCCC2)ncc1C(=O)Nc1ccncc1[O-] ZINC000672876490 482629003 /nfs/dbraw/zinc/62/90/03/482629003.db2.gz YNLVJOHTRXNNIR-UHFFFAOYSA-N -1 1 299.334 1.491 20 0 CDADMM C[C@@]1(CNC(=O)c2ccc([O-])c(F)c2)CCOC1 ZINC000681046776 482669437 /nfs/dbraw/zinc/66/94/37/482669437.db2.gz OTDWSCJQNAGKKW-ZDUSSCGKSA-N -1 1 253.273 1.688 20 0 CDADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)[C@H]1CCOC1 ZINC000681050043 482670900 /nfs/dbraw/zinc/67/09/00/482670900.db2.gz BJTZVADCLRFZDP-SCZZXKLOSA-N -1 1 253.273 1.686 20 0 CDADMM O=S(=O)([N-][C@H]1CCCC(F)(F)[C@@H]1O)c1ccco1 ZINC000334911217 482784954 /nfs/dbraw/zinc/78/49/54/482784954.db2.gz MWOVZAZNFHDGCT-IONNQARKSA-N -1 1 281.280 1.107 20 0 CDADMM O=C([O-])c1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000094443249 482787001 /nfs/dbraw/zinc/78/70/01/482787001.db2.gz MDJAHOPOGZHVCB-CQSZACIVSA-N -1 1 288.347 1.695 20 0 CDADMM O=C(c1ncc2ccccc2c1[O-])N1CCC(=O)CC1 ZINC000665948544 482867964 /nfs/dbraw/zinc/86/79/64/482867964.db2.gz RNBVMEVZCHOUAE-UHFFFAOYSA-N -1 1 270.288 1.746 20 0 CDADMM Cc1cc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)co1 ZINC000682030152 483107050 /nfs/dbraw/zinc/10/70/50/483107050.db2.gz PLHUMZPPKANCIB-LBPRGKRZSA-N -1 1 283.291 1.621 20 0 CDADMM CN(CC(=O)N1CCCC1)C(=O)c1c(F)ccc([O-])c1F ZINC000685412508 483118044 /nfs/dbraw/zinc/11/80/44/483118044.db2.gz FPEWLPOYDWYWGF-UHFFFAOYSA-N -1 1 298.289 1.365 20 0 CDADMM CC(C)(C(N)=O)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000683526552 483568221 /nfs/dbraw/zinc/56/82/21/483568221.db2.gz OKEJVSJAWYGCOU-UHFFFAOYSA-N -1 1 288.307 1.232 20 0 CDADMM CCN(C(=O)c1coc(S(=O)(=O)[N-]C)c1)C1CCC1 ZINC000339224222 520122330 /nfs/dbraw/zinc/12/23/30/520122330.db2.gz ZBLMJBGYXDFWQZ-UHFFFAOYSA-N -1 1 286.353 1.202 20 0 CDADMM CCCOCC(=O)NCCc1n[n-]c(=S)n1CC ZINC000067076533 520237888 /nfs/dbraw/zinc/23/78/88/520237888.db2.gz QARYONNQTJTAQS-UHFFFAOYSA-N -1 1 272.374 1.046 20 0 CDADMM CCCCO[C@@H](C)C(=O)NCc1n[n-]c(=S)n1C ZINC000066625889 520818933 /nfs/dbraw/zinc/81/89/33/520818933.db2.gz BAYVQOCQBBMXHJ-QMMMGPOBSA-N -1 1 272.374 1.299 20 0 CDADMM CC(=O)N[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000317143810 534594131 /nfs/dbraw/zinc/59/41/31/534594131.db2.gz HRSYBRBVZUAPAW-CQSZACIVSA-N -1 1 298.342 1.896 20 0 CDADMM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cncc([O-])c2)C1 ZINC000246613659 523645696 /nfs/dbraw/zinc/64/56/96/523645696.db2.gz LLRRMYCVZWFUQU-YZRASEIHSA-N -1 1 296.392 1.597 20 0 CDADMM CO[C@H](C)c1nc(=NCCNC(=O)C(C)(C)C)s[n-]1 ZINC000337858767 523906550 /nfs/dbraw/zinc/90/65/50/523906550.db2.gz IDCRTJBWYSYOMJ-MRVPVSSYSA-N -1 1 286.401 1.242 20 0 CDADMM C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1cncc([O-])c1 ZINC000339956118 524396478 /nfs/dbraw/zinc/39/64/78/524396478.db2.gz LHQAAWOKEVITGB-VIFPVBQESA-N -1 1 280.324 1.637 20 0 CDADMM C[C@H](Nc1nc2[nH][n-]cc-2c(=O)n1)c1cncs1 ZINC000340853067 524874010 /nfs/dbraw/zinc/87/40/10/524874010.db2.gz JUUORGRYOUORNV-YFKPBYRVSA-N -1 1 262.298 1.062 20 0 CDADMM C[C@H](NC(=O)CN[C@@H](C(=O)[O-])C1CC1)c1cccs1 ZINC000054522573 524963319 /nfs/dbraw/zinc/96/33/19/524963319.db2.gz HECPNOATGZGNNY-QPUJVOFHSA-N -1 1 282.365 1.378 20 0 CDADMM C[C@@H](NC(=O)CN[C@@H](C(=O)[O-])C1CC1)c1cccs1 ZINC000054522574 525113693 /nfs/dbraw/zinc/11/36/93/525113693.db2.gz HECPNOATGZGNNY-PRHODGIISA-N -1 1 282.365 1.378 20 0 CDADMM Cc1cc(C[C@H](C)NC(=O)NCC(C)(C)CC(=O)[O-])n[nH]1 ZINC001600189688 1174392817 /nfs/dbraw/zinc/39/28/17/1174392817.db2.gz TZNWNGSZVYANPR-VIFPVBQESA-N -1 1 296.371 1.449 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)Cc1[nH]nc2ccccc21 ZINC000262851348 526274917 /nfs/dbraw/zinc/27/49/17/526274917.db2.gz HVLNKEKYLOTJFO-MNOVXSKESA-N -1 1 287.319 1.475 20 0 CDADMM O=C(N[C@@H](CO)c1cccc(F)c1)c1cncc([O-])c1 ZINC000340007082 526861656 /nfs/dbraw/zinc/86/16/56/526861656.db2.gz TZRMHJATZLLOMZ-ZDUSSCGKSA-N -1 1 276.267 1.390 20 0 CDADMM O=C(c1cncc([O-])c1)N1CCC[C@H](n2cccn2)C1 ZINC000339929033 526882138 /nfs/dbraw/zinc/88/21/38/526882138.db2.gz KSCJONVVAPAYTB-LBPRGKRZSA-N -1 1 272.308 1.461 20 0 CDADMM Cc1cc(CNCCO[C@@H]2CCCCO2)oc1C(=O)[O-] ZINC001600207125 1174408696 /nfs/dbraw/zinc/40/86/96/1174408696.db2.gz YFKKRRNMXSFXKT-GFCCVEGCSA-N -1 1 283.324 1.919 20 0 CDADMM O=C([O-])[C@@H](NCC(=O)N1CCCc2ccccc21)C1CC1 ZINC000054522837 527653890 /nfs/dbraw/zinc/65/38/90/527653890.db2.gz IVIZLMPCNKPTIH-HNNXBMFYSA-N -1 1 288.347 1.419 20 0 CDADMM Cc1nn(C)cc1[C@@H](C)NC(=O)c1ncccc1[O-] ZINC000069497525 527696830 /nfs/dbraw/zinc/69/68/30/527696830.db2.gz LKRMMXYGDOXJNJ-MRVPVSSYSA-N -1 1 260.297 1.320 20 0 CDADMM CCN1CCN(CC(=O)[N-]OCc2ccccc2)[C@H](C)C1 ZINC000286569027 529138465 /nfs/dbraw/zinc/13/84/65/529138465.db2.gz PNGBLLFAOKAXOK-CQSZACIVSA-N -1 1 291.395 1.260 20 0 CDADMM CCc1cc(=O)[n-]c(SCC(=O)N2CCC[C@@H](C)C2)n1 ZINC000096640427 536091665 /nfs/dbraw/zinc/09/16/65/536091665.db2.gz JVAFBISCLZGEKC-SNVBAGLBSA-N -1 1 295.408 1.683 20 0 CDADMM Cc1ccccc1-c1noc(CN2CC[C@@H](C(=O)[O-])C2)n1 ZINC000062133624 538149784 /nfs/dbraw/zinc/14/97/84/538149784.db2.gz CQTMCBMCNMWIJH-LLVKDONJSA-N -1 1 287.319 1.952 20 0 CDADMM Cc1cccc(C)c1OCCN1C[C@@H](O)C[C@H]1C(=O)[O-] ZINC001600522881 1174495370 /nfs/dbraw/zinc/49/53/70/1174495370.db2.gz KEJFYLNAEXFAKN-STQMWFEESA-N -1 1 279.336 1.202 20 0 CDADMM COCCc1ccc(OS(=O)(=O)c2c[n-]nc2C)cc1 ZINC000730099358 574849914 /nfs/dbraw/zinc/84/99/14/574849914.db2.gz NUIISGUJJGOJHX-UHFFFAOYSA-N -1 1 296.348 1.675 20 0 CDADMM CC(C)C[C@H](NC(=O)CN1CCC(C)(C)CC1)C(=O)[O-] ZINC000736412604 575653440 /nfs/dbraw/zinc/65/34/40/575653440.db2.gz NPOVGJOYUCEMMO-LBPRGKRZSA-N -1 1 284.400 1.724 20 0 CDADMM CCCC[C@@H](CC)CNC(=S)NN1CC(=O)[N-]C1=O ZINC000730594138 574994614 /nfs/dbraw/zinc/99/46/14/574994614.db2.gz OJGFHMQFJUOLEG-SECBINFHSA-N -1 1 286.401 1.134 20 0 CDADMM COc1ccccc1CC(C)=CC(=O)NCc1nn[n-]n1 ZINC000732158406 575081921 /nfs/dbraw/zinc/08/19/21/575081921.db2.gz CPVYUQQGGBIQNK-CSKARUKUSA-N -1 1 287.323 1.014 20 0 CDADMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc(C)cc1 ZINC000732214592 575083701 /nfs/dbraw/zinc/08/37/01/575083701.db2.gz KSBWRKMVCJBJKW-UHFFFAOYSA-N -1 1 252.295 1.794 20 0 CDADMM CCCCN(CC(N)=O)C(=O)c1c([O-])cccc1Cl ZINC000769690408 575372265 /nfs/dbraw/zinc/37/22/65/575372265.db2.gz JJWHCBSRVXGCNS-UHFFFAOYSA-N -1 1 284.743 1.773 20 0 CDADMM C/C=C/C(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1 ZINC000769772844 575382229 /nfs/dbraw/zinc/38/22/29/575382229.db2.gz ZTGQRHUPKHLFGP-HWKANZROSA-N -1 1 292.339 1.264 20 0 CDADMM Cc1n[n-]cc1S(=O)(=O)Oc1cccnc1Cl ZINC000769909399 575396833 /nfs/dbraw/zinc/39/68/33/575396833.db2.gz AIQPMCLZTMSPEF-UHFFFAOYSA-N -1 1 273.701 1.534 20 0 CDADMM CC(C)COCCCNc1cccc(-c2nnn[n-]2)n1 ZINC000735837527 575515355 /nfs/dbraw/zinc/51/53/55/575515355.db2.gz IWTPUPOBRZVVJD-UHFFFAOYSA-N -1 1 276.344 1.736 20 0 CDADMM CC(C)COCCCNc1cccc(-c2nn[n-]n2)n1 ZINC000735837527 575515356 /nfs/dbraw/zinc/51/53/56/575515356.db2.gz IWTPUPOBRZVVJD-UHFFFAOYSA-N -1 1 276.344 1.736 20 0 CDADMM C[C@@H](CO)CSc1cccc(F)c1-c1nn[n-]n1 ZINC000736036575 575553102 /nfs/dbraw/zinc/55/31/02/575553102.db2.gz DTFHXEFBICXNJZ-ZETCQYMHSA-N -1 1 268.317 1.726 20 0 CDADMM C[C@H](Cc1ccccc1F)Nc1nccnc1-c1nnn[n-]1 ZINC000736065249 575559308 /nfs/dbraw/zinc/55/93/08/575559308.db2.gz BNKUMLAMOWSVLO-SECBINFHSA-N -1 1 299.313 1.839 20 0 CDADMM C[C@H](Cc1ccccc1F)Nc1nccnc1-c1nn[n-]n1 ZINC000736065249 575559311 /nfs/dbraw/zinc/55/93/11/575559311.db2.gz BNKUMLAMOWSVLO-SECBINFHSA-N -1 1 299.313 1.839 20 0 CDADMM [O-]c1ccc(-c2noc(C3(O)CCOCC3)n2)cc1F ZINC000771223246 575559393 /nfs/dbraw/zinc/55/93/93/575559393.db2.gz JJXFTTBGQYEICT-UHFFFAOYSA-N -1 1 280.255 1.579 20 0 CDADMM C[C@H]1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736254918 575605775 /nfs/dbraw/zinc/60/57/75/575605775.db2.gz UHTYTUZBKWXBSQ-ONGXEEELSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736254918 575605777 /nfs/dbraw/zinc/60/57/77/575605777.db2.gz UHTYTUZBKWXBSQ-ONGXEEELSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H]1C ZINC000736264244 575607788 /nfs/dbraw/zinc/60/77/88/575607788.db2.gz CNMDNWOJTIENGO-ZJUUUORDSA-N -1 1 286.339 1.522 20 0 CDADMM C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H]1C ZINC000736264244 575607790 /nfs/dbraw/zinc/60/77/90/575607790.db2.gz CNMDNWOJTIENGO-ZJUUUORDSA-N -1 1 286.339 1.522 20 0 CDADMM CC[C@@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736322847 575622273 /nfs/dbraw/zinc/62/22/73/575622273.db2.gz 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575816377 /nfs/dbraw/zinc/81/63/77/575816377.db2.gz JKLYRBVPOAXMBA-UHFFFAOYSA-N -1 1 297.322 1.302 20 0 CDADMM COc1ccc(CN(C)c2nccnc2-c2nn[n-]n2)cc1 ZINC000737090573 575816378 /nfs/dbraw/zinc/81/63/78/575816378.db2.gz JKLYRBVPOAXMBA-UHFFFAOYSA-N -1 1 297.322 1.302 20 0 CDADMM CCN(CCC(=O)[O-])CN1C[C@H](c2ccccn2)CC1=O ZINC000737096559 575818622 /nfs/dbraw/zinc/81/86/22/575818622.db2.gz OZTTYZPYYBMNMG-GFCCVEGCSA-N -1 1 291.351 1.152 20 0 CDADMM COC1CCC(CC(=O)N(C)C[C@@H](C)c2nn[n-]n2)CC1 ZINC000774007116 575848237 /nfs/dbraw/zinc/84/82/37/575848237.db2.gz RJLBJNTWKHGWRL-VOMCLLRMSA-N -1 1 295.387 1.357 20 0 CDADMM CN(CCc1ccc(Cl)cc1)CC(=O)NCCC(=O)[O-] ZINC000737447683 575967446 /nfs/dbraw/zinc/96/74/46/575967446.db2.gz GNAYBSGWGUVTAX-UHFFFAOYSA-N -1 1 298.770 1.405 20 0 CDADMM CN(C(=O)[C@@H]1CCCN1C)[C@H](C(=O)[O-])c1ccccc1 ZINC000737523724 575985535 /nfs/dbraw/zinc/98/55/35/575985535.db2.gz UXDUCLPYUTYAGD-STQMWFEESA-N -1 1 276.336 1.365 20 0 CDADMM Cn1[n-]c(COC(=O)c2csc(C(C)(C)C)n2)nc1=O 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c1ccc(CNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC000738432073 576074038 /nfs/dbraw/zinc/07/40/38/576074038.db2.gz AMYQJMMOJDMLNX-UHFFFAOYSA-N -1 1 253.269 1.269 20 0 CDADMM c1ccc(CNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC000738432073 576074040 /nfs/dbraw/zinc/07/40/40/576074040.db2.gz AMYQJMMOJDMLNX-UHFFFAOYSA-N -1 1 253.269 1.269 20 0 CDADMM c1cncc(OCCNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000738448264 576077017 /nfs/dbraw/zinc/07/70/17/576077017.db2.gz NIFNOVSRAONQFH-UHFFFAOYSA-N -1 1 283.295 1.148 20 0 CDADMM c1cncc(OCCNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000738448264 576077019 /nfs/dbraw/zinc/07/70/19/576077019.db2.gz NIFNOVSRAONQFH-UHFFFAOYSA-N -1 1 283.295 1.148 20 0 CDADMM O=C(c1c([O-])cccc1Cl)N1CCN2C(=O)CC[C@H]2C1 ZINC000766247248 576088733 /nfs/dbraw/zinc/08/87/33/576088733.db2.gz CVCLZAUYZNDCAX-VIFPVBQESA-N -1 1 294.738 1.492 20 0 CDADMM Cc1cccnc1[C@@H](N[C@H](C)C(=O)NCC(=O)[O-])C(C)C ZINC000738786339 576114124 /nfs/dbraw/zinc/11/41/24/576114124.db2.gz NPGAFIDNZWYMSS-YPMHNXCESA-N -1 1 293.367 1.266 20 0 CDADMM O=C([O-])[C@]1(F)CCN(C(=O)c2cc(-c3ccoc3)[nH]n2)C1 ZINC000767213531 576168457 /nfs/dbraw/zinc/16/84/57/576168457.db2.gz BSWNSYNETZSRKC-ZDUSSCGKSA-N -1 1 293.254 1.309 20 0 CDADMM NC(=O)[C@@H](NCCCCC(=O)[O-])c1ccc(F)cc1 ZINC000739147313 576171748 /nfs/dbraw/zinc/17/17/48/576171748.db2.gz BMLFJBQNLWDIIU-LBPRGKRZSA-N -1 1 268.288 1.197 20 0 CDADMM Cc1nonc1C(=O)[N-]c1cc(C(N)=O)sc1C ZINC000769274630 576341747 /nfs/dbraw/zinc/34/17/47/576341747.db2.gz SZZHJAAIOXKSSY-UHFFFAOYSA-N -1 1 266.282 1.099 20 0 CDADMM Cc1cccc(C)c1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000762207146 576628915 /nfs/dbraw/zinc/62/89/15/576628915.db2.gz OWURIDFXOMIBDH-NSHDSACASA-N -1 1 287.323 1.030 20 0 CDADMM CCOc1ccccc1[C@@H](N)CC(=O)N[C@H](CC)C(=O)[O-] ZINC000763027494 576701410 /nfs/dbraw/zinc/70/14/10/576701410.db2.gz DIUUAJMFMBOGOT-NWDGAFQWSA-N -1 1 294.351 1.455 20 0 CDADMM O=C(OC[C@H]1CC2(CC2)C(=O)O1)c1ccc([O-])cc1F ZINC000763240799 576724921 /nfs/dbraw/zinc/72/49/21/576724921.db2.gz DTYCOFNWJYIPOI-SECBINFHSA-N -1 1 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O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCN3CCCC[C@H]3C2)C1 ZINC000250832566 600913771 /nfs/dbraw/zinc/91/37/71/600913771.db2.gz JPYUMHZFSBJCEJ-MJBXVCDLSA-N -1 1 294.395 1.574 20 0 CDADMM C[C@@H]1CCC[C@H](NC(=O)CN[C@](C)(C(=O)[O-])C2CC2)[C@@H]1C ZINC000828238084 601034094 /nfs/dbraw/zinc/03/40/94/601034094.db2.gz GHNYYQSWOXRWSK-BQNAKDMGSA-N -1 1 296.411 1.770 20 0 CDADMM Cc1ccc(NC(=O)[C@@H]2CCCN2C)cc1C(=O)[O-] ZINC000832940747 601110322 /nfs/dbraw/zinc/11/03/22/601110322.db2.gz CPVHCDGIKCCNIS-LBPRGKRZSA-N -1 1 262.309 1.726 20 0 CDADMM COc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)N(C)C)cc1 ZINC000832235636 601133447 /nfs/dbraw/zinc/13/34/47/601133447.db2.gz NHFOCIIHRFYNCW-GXFFZTMASA-N -1 1 294.351 1.277 20 0 CDADMM NC(=O)NC1CCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000833086176 601154551 /nfs/dbraw/zinc/15/45/51/601154551.db2.gz ZTIUGZBKACCVNF-UHFFFAOYSA-N -1 1 295.314 1.157 20 0 CDADMM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1cnc[nH]1 ZINC000089680784 601478215 /nfs/dbraw/zinc/47/82/15/601478215.db2.gz 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601857004 /nfs/dbraw/zinc/85/70/04/601857004.db2.gz BHQCRGXUUBZANR-NSHDSACASA-N -1 1 277.386 1.140 20 0 CDADMM CCCCOC(=O)[C@@H](C)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000829401153 601948500 /nfs/dbraw/zinc/94/85/00/601948500.db2.gz DJEYHFRAMFAHGX-ZWNOBZJWSA-N -1 1 257.330 1.515 20 0 CDADMM COC[C@@H](C)SCc1ccnc(-c2nnn[n-]2)c1 ZINC000826150047 607535622 /nfs/dbraw/zinc/53/56/22/607535622.db2.gz VAYRJEOGFOZSAX-MRVPVSSYSA-N -1 1 265.342 1.530 20 0 CDADMM COC[C@@H](C)SCc1ccnc(-c2nn[n-]n2)c1 ZINC000826150047 607535624 /nfs/dbraw/zinc/53/56/24/607535624.db2.gz VAYRJEOGFOZSAX-MRVPVSSYSA-N -1 1 265.342 1.530 20 0 CDADMM C/C(=C/COC(=O)[C@H]1CCCc2[nH]ncc21)C(=O)[O-] ZINC000825752049 602016283 /nfs/dbraw/zinc/01/62/83/602016283.db2.gz HTWFRFCVLIKDGF-RDOCRHDPSA-N -1 1 264.281 1.404 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC001602615656 1175325008 /nfs/dbraw/zinc/32/50/08/1175325008.db2.gz KLBXILWNOAMQHG-RTXFEEFZSA-N -1 1 293.319 1.508 20 0 CDADMM CC[C@@]1(C)CCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])C1 ZINC000829049608 602241283 /nfs/dbraw/zinc/24/12/83/602241283.db2.gz BNKIFIUZYYJELH-DOMZBBRYSA-N -1 1 284.400 1.724 20 0 CDADMM CC[C@@H](SC)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825159931 607618060 /nfs/dbraw/zinc/61/80/60/607618060.db2.gz UZFBZICCTMKGIZ-SNVBAGLBSA-N -1 1 293.352 1.447 20 0 CDADMM CC[C@@H](SC)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825159931 607618062 /nfs/dbraw/zinc/61/80/62/607618062.db2.gz UZFBZICCTMKGIZ-SNVBAGLBSA-N -1 1 293.352 1.447 20 0 CDADMM COC(=O)c1ccc(CN(C)C2(C(=O)[O-])CCCC2)o1 ZINC000831379494 604453739 /nfs/dbraw/zinc/45/37/39/604453739.db2.gz QFRJFMKAQNAVST-UHFFFAOYSA-N -1 1 281.308 1.895 20 0 CDADMM C[C@@H]1CN(C)[C@@H](C)CN1C(=O)CC(C)(C)CC(=O)[O-] ZINC000833617588 604613312 /nfs/dbraw/zinc/61/33/12/604613312.db2.gz FLFYIBKMPGIQLT-WDEREUQCSA-N -1 1 270.373 1.428 20 0 CDADMM CC(C)OC[C@@H](O)CN(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000827027703 604787716 /nfs/dbraw/zinc/78/77/16/604787716.db2.gz 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/nfs/dbraw/zinc/09/79/20/605097920.db2.gz YAOMKIJCKYZLJU-UHFFFAOYSA-N -1 1 284.400 1.678 20 0 CDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC000833603993 605182262 /nfs/dbraw/zinc/18/22/62/605182262.db2.gz XWTPPRIFYYAXGU-AGIUHOORSA-N -1 1 282.384 1.430 20 0 CDADMM C[C@H]1CN(C(=O)C2CCCC2)CCN1CCC(=O)[O-] ZINC000833618236 605256140 /nfs/dbraw/zinc/25/61/40/605256140.db2.gz MKYLMZRKYHKGTF-NSHDSACASA-N -1 1 268.357 1.184 20 0 CDADMM Cc1nc(COC(=O)c2cccc(NC(=O)[O-])c2)n[nH]1 ZINC000830760549 605263251 /nfs/dbraw/zinc/26/32/51/605263251.db2.gz CWFNDLOYAMFTCT-UHFFFAOYSA-N -1 1 276.252 1.560 20 0 CDADMM C[C@@H]1CN(C)C[C@@H](C)N1C(=O)CC(C)(C)CC(=O)[O-] ZINC000833624064 605266640 /nfs/dbraw/zinc/26/66/40/605266640.db2.gz KSMAJHQUQVOKHD-GHMZBOCLSA-N -1 1 270.373 1.428 20 0 CDADMM CC[C@@H]1CC[C@H](C)N1c1ccc(-c2nn[n-]n2)nn1 ZINC000825195291 608237401 /nfs/dbraw/zinc/23/74/01/608237401.db2.gz VUPZGXCZJWJIPQ-DTWKUNHWSA-N -1 1 259.317 1.424 20 0 CDADMM C[C@@H]1CN(Cc2ccc(Cl)cn2)C[C@@H]1C(=O)[O-] ZINC000703870210 605349579 /nfs/dbraw/zinc/34/95/79/605349579.db2.gz YZIIWOMPBLXYJV-KCJUWKMLSA-N -1 1 254.717 1.888 20 0 CDADMM CC(C)[C@@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000824217058 608243006 /nfs/dbraw/zinc/24/30/06/608243006.db2.gz XQWKHMURZDFVKU-JQWIXIFHSA-N -1 1 288.355 1.877 20 0 CDADMM CC(C)[C@@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000824217058 608243007 /nfs/dbraw/zinc/24/30/07/608243007.db2.gz XQWKHMURZDFVKU-JQWIXIFHSA-N -1 1 288.355 1.877 20 0 CDADMM C[C@H](C(=O)[O-])N1CCc2c(ncn2-c2ccccc2)C1 ZINC000819896129 605387014 /nfs/dbraw/zinc/38/70/14/605387014.db2.gz WZNINMKAMIAQTP-LLVKDONJSA-N -1 1 271.320 1.704 20 0 CDADMM CC1CCC(CN2CC(n3cc(C(=O)[O-])nn3)C2)CC1 ZINC000092698909 605554249 /nfs/dbraw/zinc/55/42/49/605554249.db2.gz POIKLIKRVYANKX-UHFFFAOYSA-N -1 1 278.356 1.659 20 0 CDADMM CC(C)C[C@H](NC(=O)[O-])C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000833483158 605557310 /nfs/dbraw/zinc/55/73/10/605557310.db2.gz VXXCGCRGFKAPGO-TUAOUCFPSA-N -1 1 285.388 1.220 20 0 CDADMM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000833481167 605746763 /nfs/dbraw/zinc/74/67/63/605746763.db2.gz UMCYCYGHUOBZPI-UTUOFQBUSA-N -1 1 285.388 1.220 20 0 CDADMM CCO[C@@H]1C[C@H](NCc2ccc(C(=O)[O-])o2)[C@H]1OC ZINC000833662309 605749691 /nfs/dbraw/zinc/74/96/91/605749691.db2.gz ZUHKUKGWMLLQHR-MVWJERBFSA-N -1 1 269.297 1.260 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@@H+]2CCCCC[C@@H]2C(=O)[O-])n1 ZINC000700432934 605850592 /nfs/dbraw/zinc/85/05/92/605850592.db2.gz AELPMVZZWXJKML-SNVBAGLBSA-N -1 1 265.313 1.320 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@H+]2CCCCC[C@@H]2C(=O)[O-])n1 ZINC000700432934 605850595 /nfs/dbraw/zinc/85/05/95/605850595.db2.gz AELPMVZZWXJKML-SNVBAGLBSA-N -1 1 265.313 1.320 20 0 CDADMM CCC[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821016393 606226796 /nfs/dbraw/zinc/22/67/96/606226796.db2.gz VWCFFEOSKJDPME-QMMMGPOBSA-N -1 1 261.285 1.607 20 0 CDADMM CCC[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821016393 606226798 /nfs/dbraw/zinc/22/67/98/606226798.db2.gz VWCFFEOSKJDPME-QMMMGPOBSA-N -1 1 261.285 1.607 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H]1C ZINC000820715721 606445731 /nfs/dbraw/zinc/44/57/31/606445731.db2.gz DQCZWFOHNCWYEV-RKDXNWHRSA-N -1 1 272.312 1.132 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]1C ZINC000820715721 606445733 /nfs/dbraw/zinc/44/57/33/606445733.db2.gz DQCZWFOHNCWYEV-RKDXNWHRSA-N -1 1 272.312 1.132 20 0 CDADMM c1cncc(CCNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000095147442 606447591 /nfs/dbraw/zinc/44/75/91/606447591.db2.gz DMYZQCAHPZHRFK-UHFFFAOYSA-N -1 1 267.296 1.311 20 0 CDADMM c1cncc(CCNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000095147442 606447593 /nfs/dbraw/zinc/44/75/93/606447593.db2.gz DMYZQCAHPZHRFK-UHFFFAOYSA-N -1 1 267.296 1.311 20 0 CDADMM CO[C@@H](C)CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821673551 606546045 /nfs/dbraw/zinc/54/60/45/606546045.db2.gz FHLJGDWIBQQQDK-ZETCQYMHSA-N -1 1 281.341 1.083 20 0 CDADMM CO[C@@H](C)CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821673551 606546047 /nfs/dbraw/zinc/54/60/47/606546047.db2.gz FHLJGDWIBQQQDK-ZETCQYMHSA-N -1 1 281.341 1.083 20 0 CDADMM COC[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821684828 606550008 /nfs/dbraw/zinc/55/00/08/606550008.db2.gz LSDJGCTXWJTWSR-QMMMGPOBSA-N -1 1 293.352 1.179 20 0 CDADMM COC[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821684828 606550009 /nfs/dbraw/zinc/55/00/09/606550009.db2.gz LSDJGCTXWJTWSR-QMMMGPOBSA-N -1 1 293.352 1.179 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1CCCCC(F)(F)F ZINC000826501221 607784273 /nfs/dbraw/zinc/78/42/73/607784273.db2.gz FTBNJQVRBABFCN-UHFFFAOYSA-N -1 1 287.245 1.761 20 0 CDADMM CC1(C)C[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824796831 607808927 /nfs/dbraw/zinc/80/89/27/607808927.db2.gz SPZDKLWBPOXTFP-MRVPVSSYSA-N -1 1 273.296 1.557 20 0 CDADMM CNc1nnc(Sc2cccc(-c3nnn[n-]3)n2)s1 ZINC000826098672 607895598 /nfs/dbraw/zinc/89/55/98/607895598.db2.gz LOCAZFFBAFZSLI-UHFFFAOYSA-N -1 1 292.353 1.306 20 0 CDADMM CNc1nnc(Sc2cccc(-c3nn[n-]n3)n2)s1 ZINC000826098672 607895599 /nfs/dbraw/zinc/89/55/99/607895599.db2.gz LOCAZFFBAFZSLI-UHFFFAOYSA-N -1 1 292.353 1.306 20 0 CDADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1cn[nH]c1 ZINC000824662297 607935282 /nfs/dbraw/zinc/93/52/82/607935282.db2.gz HWEIMOGRECTBGT-SSDOTTSWSA-N -1 1 256.273 1.158 20 0 CDADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1cn[nH]c1 ZINC000824662297 607935283 /nfs/dbraw/zinc/93/52/83/607935283.db2.gz HWEIMOGRECTBGT-SSDOTTSWSA-N -1 1 256.273 1.158 20 0 CDADMM c1[nH]nc2ccc(Nc3ccc(-c4nnn[n-]4)nn3)cc12 ZINC000826517917 607988509 /nfs/dbraw/zinc/98/85/09/607988509.db2.gz UDVIRZOYANMMNF-UHFFFAOYSA-N -1 1 279.267 1.277 20 0 CDADMM c1[nH]nc2ccc(Nc3ccc(-c4nn[n-]n4)nn3)cc12 ZINC000826517917 607988510 /nfs/dbraw/zinc/98/85/10/607988510.db2.gz UDVIRZOYANMMNF-UHFFFAOYSA-N -1 1 279.267 1.277 20 0 CDADMM CC[C@@H]1CC[C@H](C)N1c1ccc(-c2nnn[n-]2)nn1 ZINC000825195291 608237400 /nfs/dbraw/zinc/23/74/00/608237400.db2.gz VUPZGXCZJWJIPQ-DTWKUNHWSA-N -1 1 259.317 1.424 20 0 CDADMM C[C@@H]1CSC(SCc2ccnc(-c3nnn[n-]3)c2)=N1 ZINC000825012423 608265893 /nfs/dbraw/zinc/26/58/93/608265893.db2.gz IRMSBZFOESIILA-SSDOTTSWSA-N -1 1 292.393 1.986 20 0 CDADMM C[C@@H]1CSC(SCc2ccnc(-c3nn[n-]n3)c2)=N1 ZINC000825012423 608265895 /nfs/dbraw/zinc/26/58/95/608265895.db2.gz IRMSBZFOESIILA-SSDOTTSWSA-N -1 1 292.393 1.986 20 0 CDADMM c1cncc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826525354 608394505 /nfs/dbraw/zinc/39/45/05/608394505.db2.gz GQEXRBXTQBINMP-LBPRGKRZSA-N -1 1 294.322 1.393 20 0 CDADMM c1cncc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826525354 608394507 /nfs/dbraw/zinc/39/45/07/608394507.db2.gz GQEXRBXTQBINMP-LBPRGKRZSA-N -1 1 294.322 1.393 20 0 CDADMM c1ccc2c(c1)CN(c1ccc(-c3nnn[n-]3)nn1)CCN2 ZINC000826523845 608399140 /nfs/dbraw/zinc/39/91/40/608399140.db2.gz ZSPOUJWBASSMLQ-UHFFFAOYSA-N -1 1 294.322 1.089 20 0 CDADMM c1ccc2c(c1)CN(c1ccc(-c3nn[n-]n3)nn1)CCN2 ZINC000826523845 608399141 /nfs/dbraw/zinc/39/91/41/608399141.db2.gz ZSPOUJWBASSMLQ-UHFFFAOYSA-N -1 1 294.322 1.089 20 0 CDADMM c1cc(N2CCC[C@H]2C2CCC2)nnc1-c1nnn[n-]1 ZINC000826516923 608412575 /nfs/dbraw/zinc/41/25/75/608412575.db2.gz IIRNYDYJXWCASA-NSHDSACASA-N -1 1 271.328 1.426 20 0 CDADMM c1cc(N2CCC[C@H]2C2CCC2)nnc1-c1nn[n-]n1 ZINC000826516923 608412577 /nfs/dbraw/zinc/41/25/77/608412577.db2.gz IIRNYDYJXWCASA-NSHDSACASA-N -1 1 271.328 1.426 20 0 CDADMM CCOC(=O)C[C@@H](C)Sc1ccc(-c2nnn[n-]2)nn1 ZINC000825507187 608419338 /nfs/dbraw/zinc/41/93/38/608419338.db2.gz OVTHZYNHAOPYOI-SSDOTTSWSA-N -1 1 294.340 1.091 20 0 CDADMM CCOC(=O)C[C@@H](C)Sc1ccc(-c2nn[n-]n2)nn1 ZINC000825507187 608419339 /nfs/dbraw/zinc/41/93/39/608419339.db2.gz OVTHZYNHAOPYOI-SSDOTTSWSA-N -1 1 294.340 1.091 20 0 CDADMM c1coc([C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826526410 608420763 /nfs/dbraw/zinc/42/07/63/608420763.db2.gz XSCWIBPPDBCQNE-NSHDSACASA-N -1 1 297.322 1.981 20 0 CDADMM c1coc([C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826526410 608420765 /nfs/dbraw/zinc/42/07/65/608420765.db2.gz XSCWIBPPDBCQNE-NSHDSACASA-N -1 1 297.322 1.981 20 0 CDADMM CC[C@H](c1ccncc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000825159866 608421459 /nfs/dbraw/zinc/42/14/59/608421459.db2.gz UUUSZLYIWWJALP-GFCCVEGCSA-N -1 1 296.338 1.639 20 0 CDADMM CC[C@H](c1ccncc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000825159866 608421460 /nfs/dbraw/zinc/42/14/60/608421460.db2.gz UUUSZLYIWWJALP-GFCCVEGCSA-N -1 1 296.338 1.639 20 0 CDADMM FC(F)(F)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826367775 608426367 /nfs/dbraw/zinc/42/63/67/608426367.db2.gz NMJNZQNHTSIORR-UHFFFAOYSA-N -1 1 299.260 1.435 20 0 CDADMM FC(F)(F)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826367775 608426368 /nfs/dbraw/zinc/42/63/68/608426368.db2.gz NMJNZQNHTSIORR-UHFFFAOYSA-N -1 1 299.260 1.435 20 0 CDADMM COc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)c(C)c1 ZINC000826204057 608433206 /nfs/dbraw/zinc/43/32/06/608433206.db2.gz VDAANQCARGZHND-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)c(C)c1 ZINC000826204057 608433207 /nfs/dbraw/zinc/43/32/07/608433207.db2.gz VDAANQCARGZHND-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM CC(C)[C@H](O)C(C)(C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824199329 608437010 /nfs/dbraw/zinc/43/70/10/608437010.db2.gz IASHPMKIHKUDAA-NSHDSACASA-N -1 1 291.359 1.112 20 0 CDADMM CC(C)[C@H](O)C(C)(C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824199329 608437011 /nfs/dbraw/zinc/43/70/11/608437011.db2.gz IASHPMKIHKUDAA-NSHDSACASA-N -1 1 291.359 1.112 20 0 CDADMM CC[C@H](CSC)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825126400 608474716 /nfs/dbraw/zinc/47/47/16/608474716.db2.gz HYGLUUPBGILHMN-SSDOTTSWSA-N -1 1 297.409 1.800 20 0 CDADMM CC[C@H](CSC)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825126400 608474717 /nfs/dbraw/zinc/47/47/17/608474717.db2.gz HYGLUUPBGILHMN-SSDOTTSWSA-N -1 1 297.409 1.800 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H](O)c1ccco1 ZINC000826280952 608543448 /nfs/dbraw/zinc/54/34/48/608543448.db2.gz XIOGQNWCPFIYQO-JTQLQIEISA-N -1 1 286.295 1.309 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H]1CCC[C@@H]1O ZINC000826280872 608546120 /nfs/dbraw/zinc/54/61/20/608546120.db2.gz UHLXILMFZPBOCF-ONGXEEELSA-N -1 1 274.328 1.143 20 0 CDADMM CC(C)[C@H](O)C1(CNc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000824200674 608586505 /nfs/dbraw/zinc/58/65/05/608586505.db2.gz RTBWCAUODMOZMB-LBPRGKRZSA-N -1 1 288.355 1.471 20 0 CDADMM CC(C)[C@H](O)C1(CNc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000824200674 608586506 /nfs/dbraw/zinc/58/65/06/608586506.db2.gz RTBWCAUODMOZMB-LBPRGKRZSA-N -1 1 288.355 1.471 20 0 CDADMM c1cnnc(SCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826525837 609310496 /nfs/dbraw/zinc/31/04/96/609310496.db2.gz AWJQKIFRYFYRGV-UHFFFAOYSA-N -1 1 271.309 1.344 20 0 CDADMM c1cnnc(SCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826525837 609310498 /nfs/dbraw/zinc/31/04/98/609310498.db2.gz AWJQKIFRYFYRGV-UHFFFAOYSA-N -1 1 271.309 1.344 20 0 CDADMM CSCCCCCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826228481 609588262 /nfs/dbraw/zinc/58/82/62/609588262.db2.gz QCZSZUULPIYJFJ-UHFFFAOYSA-N -1 1 293.400 1.992 20 0 CDADMM CSCCCCCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826228481 609588263 /nfs/dbraw/zinc/58/82/63/609588263.db2.gz QCZSZUULPIYJFJ-UHFFFAOYSA-N -1 1 293.400 1.992 20 0 CDADMM O=C(NCC[C@@H](O)C1CC1)c1c([O-])cccc1Cl ZINC000890723227 617306691 /nfs/dbraw/zinc/30/66/91/617306691.db2.gz UTBOGFMXMRANKL-SNVBAGLBSA-N -1 1 269.728 1.936 20 0 CDADMM CC(C)(C)c1ccc(NC(=O)CCCc2nn[n-]n2)cn1 ZINC000890792421 617336782 /nfs/dbraw/zinc/33/67/82/617336782.db2.gz NXWDNIOIVCFJEZ-UHFFFAOYSA-N -1 1 288.355 1.854 20 0 CDADMM O=C([N-][C@H]1COC[C@H]1C1CC1)C(F)(F)C(F)F ZINC000891057770 617357845 /nfs/dbraw/zinc/35/78/45/617357845.db2.gz OSJNXEMAKSRGJH-BQBZGAKWSA-N -1 1 255.211 1.428 20 0 CDADMM CC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)c1ncccc1[O-] ZINC000953496325 613839644 /nfs/dbraw/zinc/83/96/44/613839644.db2.gz WHOHOECLXFTJIT-JQWIXIFHSA-N -1 1 291.351 1.307 20 0 CDADMM CC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000945619741 613960596 /nfs/dbraw/zinc/96/05/96/613960596.db2.gz CAONDCPRSNBTDA-CMPLNLGQSA-N -1 1 291.351 1.164 20 0 CDADMM CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000940138985 614328349 /nfs/dbraw/zinc/32/83/49/614328349.db2.gz KZMFYFVBGSQSGT-SNVBAGLBSA-N -1 1 291.351 1.164 20 0 CDADMM CCC(=O)N1CCC[C@@H](NC(=O)c2ncccc2[O-])CC1 ZINC000964851187 614566408 /nfs/dbraw/zinc/56/64/08/614566408.db2.gz VSQSNBABEMFKKD-LLVKDONJSA-N -1 1 291.351 1.308 20 0 CDADMM CCN(C(=O)c1ncccc1[O-])C1CN(CC[C@@H](C)F)C1 ZINC000949952095 614796389 /nfs/dbraw/zinc/79/63/89/614796389.db2.gz GNNZHRZDUZAMPM-LLVKDONJSA-N -1 1 295.358 1.682 20 0 CDADMM Cc1ccnn1CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891613008 617504738 /nfs/dbraw/zinc/50/47/38/617504738.db2.gz GDDPNGGWCUROFL-UHFFFAOYSA-N -1 1 287.323 1.205 20 0 CDADMM CCOCCOCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891622167 617510206 /nfs/dbraw/zinc/51/02/06/617510206.db2.gz CUVZANIIALDVCI-UHFFFAOYSA-N -1 1 295.339 1.053 20 0 CDADMM COCc1nc(NCC(C)(C)CCO)cc(=O)[n-]1 ZINC000892740658 617691089 /nfs/dbraw/zinc/69/10/89/617691089.db2.gz OZBSADFXECDPGN-UHFFFAOYSA-N -1 1 255.318 1.149 20 0 CDADMM C[C@H](C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)N(C)C ZINC000909332769 617727327 /nfs/dbraw/zinc/72/73/27/617727327.db2.gz SRHAPGBDTADJBZ-LLVKDONJSA-N -1 1 294.351 1.819 20 0 CDADMM CC(C)[C@@H](NCC(=O)N1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000222741152 617743767 /nfs/dbraw/zinc/74/37/67/617743767.db2.gz JXCBPPGFPPAXLR-NTZNESFSSA-N -1 1 270.373 1.190 20 0 CDADMM CC(C)[C@@H](NCC(=O)N1C[C@H](C)C[C@@H](C)C1)C(=O)[O-] ZINC000222741219 617743838 /nfs/dbraw/zinc/74/38/38/617743838.db2.gz JXCBPPGFPPAXLR-NQBHXWOUSA-N -1 1 270.373 1.190 20 0 CDADMM CC(C)OC(=O)c1cc(NC(=O)[C@H](F)C(C)C)n[nH]1 ZINC000888119056 620751003 /nfs/dbraw/zinc/75/10/03/620751003.db2.gz RDADUAWIGNKZER-SNVBAGLBSA-N -1 1 271.292 1.908 20 0 CDADMM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cn[n-]n2)cc1C ZINC000805605775 618360446 /nfs/dbraw/zinc/36/04/46/618360446.db2.gz PYOLJXHPYGJNOQ-JTQLQIEISA-N -1 1 288.307 1.606 20 0 CDADMM Cc1cnc(C(=O)NCC2(C3(O)CCC3)CCC2)c([O-])c1 ZINC000924946249 618365162 /nfs/dbraw/zinc/36/51/62/618365162.db2.gz MHHLMECFJBRZKM-UHFFFAOYSA-N -1 1 290.363 1.911 20 0 CDADMM COCc1nc(N2CC[C@@H](O)CC(C)(C)C2)cc(=O)[n-]1 ZINC000894102224 618411859 /nfs/dbraw/zinc/41/18/59/618411859.db2.gz LQZQKLBNGORRCT-SNVBAGLBSA-N -1 1 281.356 1.316 20 0 CDADMM O=C(c1c([O-])cccc1Cl)N1CCC(=O)N2CCC[C@@H]21 ZINC000888170167 620806964 /nfs/dbraw/zinc/80/69/64/620806964.db2.gz JWAVNTNGQCUWRY-NSHDSACASA-N -1 1 294.738 1.840 20 0 CDADMM COCc1nc(NCC(C)(C)C(C)(C)O)cc(=O)[n-]1 ZINC000894113221 618458092 /nfs/dbraw/zinc/45/80/92/618458092.db2.gz GOZJFCKSTSNQSB-UHFFFAOYSA-N -1 1 269.345 1.538 20 0 CDADMM CC(C)[C@H](CNC(=O)[C@H](C)Cc1cnc[nH]1)C(=O)[O-] ZINC000902025175 618465444 /nfs/dbraw/zinc/46/54/44/618465444.db2.gz XRNIUHNTEVCQLD-KOLCDFICSA-N -1 1 267.329 1.061 20 0 CDADMM C[C@H](C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)N(C)C ZINC000902018453 618496070 /nfs/dbraw/zinc/49/60/70/618496070.db2.gz UVSAIHKICWJZHF-JIMOISOXSA-N -1 1 276.336 1.366 20 0 CDADMM CC[C@@H](C)C[C@@H](NC(=O)C1(N(C)C)CC1)C(=O)[O-] ZINC000910913219 618590953 /nfs/dbraw/zinc/59/09/53/618590953.db2.gz XHWOCPXACKMGGB-NXEZZACHSA-N -1 1 256.346 1.086 20 0 CDADMM CC(C)(CC(=O)[O-])NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000826533233 618596103 /nfs/dbraw/zinc/59/61/03/618596103.db2.gz HXDAOIKTVIXIFI-MRVPVSSYSA-N -1 1 265.313 1.199 20 0 CDADMM C[C@H]1CCN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000828285607 618617485 /nfs/dbraw/zinc/61/74/85/618617485.db2.gz NMDVDZARAPQSFV-GXSJLCMTSA-N -1 1 294.376 1.893 20 0 CDADMM C[C@@H]1CN(Cc2cn(-c3ccccc3)nn2)C[C@H]1C(=O)[O-] ZINC000828461526 618622003 /nfs/dbraw/zinc/62/20/03/618622003.db2.gz ACEUHUCJZGYIKI-BXUZGUMPSA-N -1 1 286.335 1.420 20 0 CDADMM CCC1(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2)CCCC1 ZINC000909413700 619104996 /nfs/dbraw/zinc/10/49/96/619104996.db2.gz SXTUZGOXNRXWIC-ZDUSSCGKSA-N -1 1 296.411 1.870 20 0 CDADMM O=C([O-])c1ccc2c(c1)CN(C(=O)Cc1c[nH]cn1)CC2 ZINC000909451669 619325986 /nfs/dbraw/zinc/32/59/86/619325986.db2.gz UFZXYAMHLYUIBX-UHFFFAOYSA-N -1 1 285.303 1.235 20 0 CDADMM CN1CC[C@@H]1CNC(=O)c1cccc(Br)c1[O-] ZINC000928554191 619359622 /nfs/dbraw/zinc/35/96/22/619359622.db2.gz HLACQWSJEAFOKI-MRVPVSSYSA-N -1 1 299.168 1.589 20 0 CDADMM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000909491284 619396227 /nfs/dbraw/zinc/39/62/27/619396227.db2.gz FHQBEPQZRSLSOM-JTQLQIEISA-N -1 1 279.340 1.302 20 0 CDADMM CCn1cc(CC(=O)[N-]OCc2ccccn2)cn1 ZINC000909542211 620271650 /nfs/dbraw/zinc/27/16/50/620271650.db2.gz SESRDBUGFMDNAC-UHFFFAOYSA-N -1 1 260.297 1.089 20 0 CDADMM CCC(CC)(NC(=O)c1ccc2cncn2c1)C(=O)[O-] ZINC000909615773 620513282 /nfs/dbraw/zinc/51/32/82/620513282.db2.gz ZFFWPJVBIKBYIS-UHFFFAOYSA-N -1 1 275.308 1.708 20 0 CDADMM Cn1[n-]cc2c(=NC(=O)CC3CCSCC3)ccnc1-2 ZINC000801701596 621666832 /nfs/dbraw/zinc/66/68/32/621666832.db2.gz BGJAPUDSUCUHRW-UHFFFAOYSA-N -1 1 290.392 1.814 20 0 CDADMM Cn1ncc2c1C[C@@H](C(=O)[N-]Oc1ccc(F)cc1)CC2 ZINC000898575355 621799645 /nfs/dbraw/zinc/79/96/45/621799645.db2.gz RWPAHKZMQYAMJS-JTQLQIEISA-N -1 1 289.310 1.774 20 0 CDADMM CCC(C)(C)CC(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898756536 621860928 /nfs/dbraw/zinc/86/09/28/621860928.db2.gz KTTXXVUPFJUVQX-UHFFFAOYSA-N -1 1 253.302 1.330 20 0 CDADMM C[C@@H](CCC(C)(C)C)C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898757970 621861688 /nfs/dbraw/zinc/86/16/88/621861688.db2.gz WAVGUVSHWAKQOU-VIFPVBQESA-N -1 1 281.356 1.966 20 0 CDADMM CCC[C@H](CC(C)C)C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898754418 621865204 /nfs/dbraw/zinc/86/52/04/621865204.db2.gz HRMLWUGIPIQQPV-SNVBAGLBSA-N -1 1 281.356 1.966 20 0 CDADMM Cc1oc(C(C)C)cc1C(=O)[N-]N1C(=O)[C@H](C)N(C)C1=O ZINC000899037773 622030229 /nfs/dbraw/zinc/03/02/29/622030229.db2.gz IDJJMCMSHCNAEE-QMMMGPOBSA-N -1 1 293.323 1.639 20 0 CDADMM CO[C@@H]1CCCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000900549126 623188713 /nfs/dbraw/zinc/18/87/13/623188713.db2.gz YAYVXCLNVODFDO-SNVBAGLBSA-N -1 1 277.324 1.311 20 0 CDADMM CC[N@@H+](CC(=O)[O-])Cc1c(C(F)(F)F)cnn1C ZINC000901423394 624231367 /nfs/dbraw/zinc/23/13/67/624231367.db2.gz FGSXZRZUZKDGAY-UHFFFAOYSA-N 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NBIDEWPUPPDSGD-QPUJVOFHSA-N -1 1 285.731 1.220 20 0 CDADMM CCc1cc(CNC(=O)C2=C(C(=O)[O-])CCCC2)n[nH]1 ZINC000872930545 679638274 /nfs/dbraw/zinc/63/82/74/679638274.db2.gz MIJHXDSDRAQLEY-UHFFFAOYSA-N -1 1 277.324 1.544 20 0 CDADMM O=S(=O)([N-]Cc1ccon1)c1ccc(F)c(F)c1F ZINC000080828229 679641839 /nfs/dbraw/zinc/64/18/39/679641839.db2.gz ATJXBPUXJXMMQP-UHFFFAOYSA-N -1 1 292.238 1.570 20 0 CDADMM O=c1[n-]c2nc(=O)[nH]c(Nc3ncccc3Cl)c2[nH]1 ZINC001170213925 1162301579 /nfs/dbraw/zinc/30/15/79/1162301579.db2.gz RXVUSLLTPWYTTL-UHFFFAOYSA-N -1 1 278.659 1.508 20 0 CDADMM O=c1[n-]c2nc(=O)[nH]c(Nc3cccc4c3COC4)c2[nH]1 ZINC001170220065 1162303188 /nfs/dbraw/zinc/30/31/88/1162303188.db2.gz SPDTWLOLSKVQJP-UHFFFAOYSA-N -1 1 285.263 1.490 20 0 CDADMM Cc1c(Nc2[n-]c(=O)nc3nc[nH]c32)cnc2nccnc12 ZINC001170233315 1162308237 /nfs/dbraw/zinc/30/82/37/1162308237.db2.gz NKVRGWIZQQTMOL-UHFFFAOYSA-N -1 1 294.278 1.449 20 0 CDADMM Cc1ccc(N)cc1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170227492 1162316969 /nfs/dbraw/zinc/31/69/69/1162316969.db2.gz PHGNWBCGPMKMHZ-UHFFFAOYSA-N -1 1 256.269 1.693 20 0 CDADMM COc1ccc(Nc2[n-]c(=O)nc3nc[nH]c32)cn1 ZINC001170227998 1162317978 /nfs/dbraw/zinc/31/79/78/1162317978.db2.gz ZGMCGPDCDJVNPG-UHFFFAOYSA-N -1 1 258.241 1.206 20 0 CDADMM CCc1cc(=O)n2[n-]c(NC(=O)c3coc(C)c3)nc2n1 ZINC001131556273 1162954203 /nfs/dbraw/zinc/95/42/03/1162954203.db2.gz SOSILXJUQKLPIZ-UHFFFAOYSA-N -1 1 287.279 1.134 20 0 CDADMM O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc([O-])cn1 ZINC001625798075 1158463849 /nfs/dbraw/zinc/46/38/49/1158463849.db2.gz TUYJQYVWHNITDV-UHFFFAOYSA-N -1 1 294.314 1.903 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cnc(-c2cccnc2)s1 ZINC001648816181 1158575430 /nfs/dbraw/zinc/57/54/30/1158575430.db2.gz KVZJICZDDQELNT-UHFFFAOYSA-N -1 1 287.304 1.886 20 0 CDADMM CCC[C@@H]1CN(c2ccc(C)c(-c3nnn[n-]3)n2)CCO1 ZINC001604152449 1163110827 /nfs/dbraw/zinc/11/08/27/1163110827.db2.gz LFIGEXABCPPLJO-LLVKDONJSA-N -1 1 288.355 1.575 20 0 CDADMM CCC[C@@H]1CN(c2ccc(C)c(-c3nn[n-]n3)n2)CCO1 ZINC001604152449 1163110831 /nfs/dbraw/zinc/11/08/31/1163110831.db2.gz LFIGEXABCPPLJO-LLVKDONJSA-N -1 1 288.355 1.575 20 0 CDADMM CCOC(=O)CSCc1ccc(-c2nn[n-]n2)s1 ZINC001604375584 1163166718 /nfs/dbraw/zinc/16/67/18/1163166718.db2.gz VKYBPKQIYGEQSO-UHFFFAOYSA-N -1 1 284.366 1.725 20 0 CDADMM CCOc1cccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001604464976 1163192882 /nfs/dbraw/zinc/19/28/82/1163192882.db2.gz OXZBVGDMYMQVDP-UHFFFAOYSA-N -1 1 299.294 1.241 20 0 CDADMM CCOc1cccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001604464976 1163192889 /nfs/dbraw/zinc/19/28/89/1163192889.db2.gz OXZBVGDMYMQVDP-UHFFFAOYSA-N -1 1 299.294 1.241 20 0 CDADMM CCc1nccc(C)c1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001604575851 1163235653 /nfs/dbraw/zinc/23/56/53/1163235653.db2.gz IXDZRAJBLUVAQB-UHFFFAOYSA-N -1 1 298.306 1.978 20 0 CDADMM CCc1nccc(C)c1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001604575851 1163235657 /nfs/dbraw/zinc/23/56/57/1163235657.db2.gz IXDZRAJBLUVAQB-UHFFFAOYSA-N -1 1 298.306 1.978 20 0 CDADMM CCc1nn(C)cc1NCc1cccc(-c2nnn[n-]2)n1 ZINC001604577913 1163236512 /nfs/dbraw/zinc/23/65/12/1163236512.db2.gz FYKMDDFFDGMXFB-UHFFFAOYSA-N -1 1 284.327 1.170 20 0 CDADMM CCc1nn(C)cc1NCc1cccc(-c2nn[n-]n2)n1 ZINC001604577913 1163236519 /nfs/dbraw/zinc/23/65/19/1163236519.db2.gz FYKMDDFFDGMXFB-UHFFFAOYSA-N -1 1 284.327 1.170 20 0 CDADMM CN(C(=O)C1CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001604630823 1163257351 /nfs/dbraw/zinc/25/73/51/1163257351.db2.gz AYQKVVSJPCTDKX-UHFFFAOYSA-N -1 1 272.312 1.415 20 0 CDADMM CN(C(=O)C1CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001604630823 1163257359 /nfs/dbraw/zinc/25/73/59/1163257359.db2.gz AYQKVVSJPCTDKX-UHFFFAOYSA-N -1 1 272.312 1.415 20 0 CDADMM C[C@@H]1[C@H](C(=O)[O-])CCN1CN1Cc2ccc(F)cc2C1=O ZINC001604636478 1163259866 /nfs/dbraw/zinc/25/98/66/1163259866.db2.gz MFFAXTGERJPNRS-BXKDBHETSA-N -1 1 292.310 1.534 20 0 CDADMM CNc1cc(CNc2cccc(-c3nn[n-]n3)n2)ccn1 ZINC001604895935 1163372818 /nfs/dbraw/zinc/37/28/18/1163372818.db2.gz AJQQZTUHTIRDKB-UHFFFAOYSA-N -1 1 282.311 1.311 20 0 CDADMM CCC(CC)(NC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C)C(=O)[O-] ZINC001605004600 1163411412 /nfs/dbraw/zinc/41/14/12/1163411412.db2.gz GPZKDAZPFMVWLJ-SKDRFNHKSA-N -1 1 293.367 1.835 20 0 CDADMM COCC1CCN(c2ccc(C)c(-c3nnn[n-]3)n2)CC1 ZINC001605072504 1163441252 /nfs/dbraw/zinc/44/12/52/1163441252.db2.gz OZMUAZPRQJNZIT-UHFFFAOYSA-N -1 1 288.355 1.433 20 0 CDADMM COCC1CCN(c2ccc(C)c(-c3nn[n-]n3)n2)CC1 ZINC001605072504 1163441259 /nfs/dbraw/zinc/44/12/59/1163441259.db2.gz OZMUAZPRQJNZIT-UHFFFAOYSA-N -1 1 288.355 1.433 20 0 CDADMM CCCC[C@H](OC(=O)c1[nH]nc2c1CCC2)C(=O)[O-] ZINC001605248842 1163502341 /nfs/dbraw/zinc/50/23/41/1163502341.db2.gz CHRWFLZNZWDPHR-JTQLQIEISA-N -1 1 266.297 1.699 20 0 CDADMM C[C@@H](OC(=O)c1coc(-c2nnn[n-]2)c1)C1CCC1 ZINC001605408210 1163554883 /nfs/dbraw/zinc/55/48/83/1163554883.db2.gz AOBFVIIFBMNTTI-SSDOTTSWSA-N -1 1 262.269 1.805 20 0 CDADMM C[C@@H](OC(=O)c1coc(-c2nn[n-]n2)c1)C1CCC1 ZINC001605408210 1163554886 /nfs/dbraw/zinc/55/48/86/1163554886.db2.gz AOBFVIIFBMNTTI-SSDOTTSWSA-N -1 1 262.269 1.805 20 0 CDADMM CCN(CCC(=O)[O-])CN1CCC(CC)(CC)C1=O ZINC001605442843 1163565503 /nfs/dbraw/zinc/56/55/03/1163565503.db2.gz ITOWFYKCGISVCG-UHFFFAOYSA-N -1 1 270.373 1.779 20 0 CDADMM Nc1nccnc1SCCC[N-]C(=O)C(F)(F)F ZINC000812252126 1163604827 /nfs/dbraw/zinc/60/48/27/1163604827.db2.gz SAAKJPJMBPUKOQ-UHFFFAOYSA-N -1 1 280.275 1.220 20 0 CDADMM CCO[C@H](CN1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC)C1CC1 ZINC001605592303 1163617488 /nfs/dbraw/zinc/61/74/88/1163617488.db2.gz FQFRZFBUPKPEJM-RWMBFGLXSA-N -1 1 299.367 1.140 20 0 CDADMM Cc1cc(N2CCO[C@@H](CCF)C2)cc(-c2nnn[n-]2)n1 ZINC001605700210 1163645102 /nfs/dbraw/zinc/64/51/02/1163645102.db2.gz NDVGZNODOHUCGQ-NSHDSACASA-N -1 1 292.318 1.135 20 0 CDADMM Cc1cc(N2CCO[C@@H](CCF)C2)cc(-c2nn[n-]n2)n1 ZINC001605700210 1163645108 /nfs/dbraw/zinc/64/51/08/1163645108.db2.gz NDVGZNODOHUCGQ-NSHDSACASA-N -1 1 292.318 1.135 20 0 CDADMM Cc1cc(N[C@H]2CCCn3nccc32)nc(-c2nnn[n-]2)c1 ZINC001605724259 1163652537 /nfs/dbraw/zinc/65/25/37/1163652537.db2.gz GKWSQELCPRRKPK-JTQLQIEISA-N -1 1 296.338 1.714 20 0 CDADMM Cc1cc(N[C@H]2CCCn3nccc32)nc(-c2nn[n-]n2)c1 ZINC001605724259 1163652543 /nfs/dbraw/zinc/65/25/43/1163652543.db2.gz GKWSQELCPRRKPK-JTQLQIEISA-N -1 1 296.338 1.714 20 0 CDADMM Cc1cc(NCCC2CC(O)C2)nc(-c2nnn[n-]2)c1 ZINC001605731268 1163654043 /nfs/dbraw/zinc/65/40/43/1163654043.db2.gz UOLJUYDARZJSSR-UHFFFAOYSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cc(NCCC2CC(O)C2)nc(-c2nn[n-]n2)c1 ZINC001605731268 1163654047 /nfs/dbraw/zinc/65/40/47/1163654047.db2.gz UOLJUYDARZJSSR-UHFFFAOYSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N(C)CC1=CCCOC1 ZINC001605802988 1163677350 /nfs/dbraw/zinc/67/73/50/1163677350.db2.gz SJAJDFNHZMEVKG-UHFFFAOYSA-N -1 1 286.339 1.353 20 0 CDADMM Cc1noc(C)c1CN(C)c1ccc(C)c(-c2nnn[n-]2)n1 ZINC001605865989 1163697306 /nfs/dbraw/zinc/69/73/06/1163697306.db2.gz DDVNQNPUTAZESH-UHFFFAOYSA-N -1 1 299.338 1.811 20 0 CDADMM Cc1noc(C)c1CN(C)c1ccc(C)c(-c2nn[n-]n2)n1 ZINC001605865989 1163697310 /nfs/dbraw/zinc/69/73/10/1163697310.db2.gz DDVNQNPUTAZESH-UHFFFAOYSA-N -1 1 299.338 1.811 20 0 CDADMM Cc1ccc(N[C@H]2CCSC2)nc1-c1nnn[n-]1 ZINC001605871767 1163700554 /nfs/dbraw/zinc/70/05/54/1163700554.db2.gz LEYUXUQUSUWXHB-QMMMGPOBSA-N -1 1 262.342 1.488 20 0 CDADMM Cc1ccc(N[C@H]2CCSC2)nc1-c1nn[n-]n1 ZINC001605871767 1163700560 /nfs/dbraw/zinc/70/05/60/1163700560.db2.gz LEYUXUQUSUWXHB-QMMMGPOBSA-N -1 1 262.342 1.488 20 0 CDADMM Cc1ccc(O)c(NC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001605876020 1163703651 /nfs/dbraw/zinc/70/36/51/1163703651.db2.gz ZHIJHWHGBRWFKY-UHFFFAOYSA-N -1 1 296.290 1.528 20 0 CDADMM Cc1ccc(O)c(NC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001605876020 1163703656 /nfs/dbraw/zinc/70/36/56/1163703656.db2.gz ZHIJHWHGBRWFKY-UHFFFAOYSA-N -1 1 296.290 1.528 20 0 CDADMM CCc1oc(C(=O)[O-])cc1C[N@H+](CC)[C@H](C)CO ZINC001605879714 1163704880 /nfs/dbraw/zinc/70/48/80/1163704880.db2.gz PWLWKUPRHPOIQH-SECBINFHSA-N -1 1 255.314 1.743 20 0 CDADMM CCc1onc(C)c1CNCc1ccc(C(=O)[O-])n1C ZINC001605896896 1163709714 /nfs/dbraw/zinc/70/97/14/1163709714.db2.gz RWDYNUCJSPIMIA-UHFFFAOYSA-N -1 1 277.324 1.872 20 0 CDADMM Cc1nc(NCC[C@@H]2CCCS2)cc(-c2nnn[n-]2)n1 ZINC001606071362 1163762935 /nfs/dbraw/zinc/76/29/35/1163762935.db2.gz MGSCOKVBEKPFPK-VIFPVBQESA-N -1 1 291.384 1.663 20 0 CDADMM Cc1nc(NCC[C@@H]2CCCS2)cc(-c2nn[n-]n2)n1 ZINC001606071362 1163762938 /nfs/dbraw/zinc/76/29/38/1163762938.db2.gz MGSCOKVBEKPFPK-VIFPVBQESA-N -1 1 291.384 1.663 20 0 CDADMM Cc1nc(NCCCc2ccco2)cc(-c2nnn[n-]2)n1 ZINC001606073032 1163763004 /nfs/dbraw/zinc/76/30/04/1163763004.db2.gz BIRXXFXNSJRBCI-UHFFFAOYSA-N -1 1 285.311 1.603 20 0 CDADMM Cc1nc(NCCCc2ccco2)cc(-c2nn[n-]n2)n1 ZINC001606073032 1163763006 /nfs/dbraw/zinc/76/30/06/1163763006.db2.gz BIRXXFXNSJRBCI-UHFFFAOYSA-N -1 1 285.311 1.603 20 0 CDADMM CN(CCCCCO)Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001606117634 1163778849 /nfs/dbraw/zinc/77/88/49/1163778849.db2.gz WBJGONCDXQVONW-UHFFFAOYSA-N -1 1 291.351 1.856 20 0 CDADMM Cl/C=C/Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001606185480 1163801105 /nfs/dbraw/zinc/80/11/05/1163801105.db2.gz SEKFPLDQIFAGSC-QPJJXVBHSA-N -1 1 287.714 1.878 20 0 CDADMM FC1(F)[C@@H]2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C[C@@H]21 ZINC001606300681 1163845732 /nfs/dbraw/zinc/84/57/32/1163845732.db2.gz KAIWKITZDDSUQJ-RNJXMRFFSA-N -1 1 293.281 1.502 20 0 CDADMM FC1(F)[C@@H]2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C[C@@H]21 ZINC001606300681 1163845735 /nfs/dbraw/zinc/84/57/35/1163845735.db2.gz KAIWKITZDDSUQJ-RNJXMRFFSA-N -1 1 293.281 1.502 20 0 CDADMM COC(=O)[C@H]1CCN(Cc2cccc(C(=O)[O-])n2)[C@H]1C ZINC001606414171 1163894043 /nfs/dbraw/zinc/89/40/43/1163894043.db2.gz NIWONFPSFXXTMH-ONGXEEELSA-N -1 1 278.308 1.163 20 0 CDADMM O=C(C=Cc1ccc[nH]1)OCc1cccnc1-c1nnn[n-]1 ZINC001606481428 1163912581 /nfs/dbraw/zinc/91/25/81/1163912581.db2.gz AULHVDHCNIJXGC-AATRIKPKSA-N -1 1 296.290 1.346 20 0 CDADMM O=C(C=Cc1ccc[nH]1)OCc1cccnc1-c1nn[n-]n1 ZINC001606481428 1163912592 /nfs/dbraw/zinc/91/25/92/1163912592.db2.gz AULHVDHCNIJXGC-AATRIKPKSA-N -1 1 296.290 1.346 20 0 CDADMM COCCN(C/C=C(/C)C(=O)[O-])Cc1scnc1C ZINC001606884996 1164025277 /nfs/dbraw/zinc/02/52/77/1164025277.db2.gz WFCVOJDGTCUMCW-WMZJFQQLSA-N -1 1 284.381 1.931 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C1(C2CC2)CCC1 ZINC001606933188 1164032920 /nfs/dbraw/zinc/03/29/20/1164032920.db2.gz HOYLFQDDOFLRDZ-UHFFFAOYSA-N -1 1 284.323 1.781 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C1(C2CC2)CCC1 ZINC001606933188 1164032927 /nfs/dbraw/zinc/03/29/27/1164032927.db2.gz HOYLFQDDOFLRDZ-UHFFFAOYSA-N -1 1 284.323 1.781 20 0 CDADMM COCCc1noc(CN[C@H]2CCCCC[C@H]2C(=O)[O-])n1 ZINC001606923503 1164033023 /nfs/dbraw/zinc/03/30/23/1164033023.db2.gz PWZXAXKEDHIQRB-MNOVXSKESA-N -1 1 297.355 1.382 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@@H](C2CC2)C1 ZINC001607021127 1164063252 /nfs/dbraw/zinc/06/32/52/1164063252.db2.gz GRLNOIHGADXCCX-SNVBAGLBSA-N -1 1 284.323 1.134 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@@H](C2CC2)C1 ZINC001607021127 1164063256 /nfs/dbraw/zinc/06/32/56/1164063256.db2.gz GRLNOIHGADXCCX-SNVBAGLBSA-N -1 1 284.323 1.134 20 0 CDADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC[C@@H](F)C1 ZINC001607027075 1164063363 /nfs/dbraw/zinc/06/33/63/1164063363.db2.gz KVLOUAXJSQAHMV-SSDOTTSWSA-N -1 1 281.316 1.502 20 0 CDADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCC[C@@H](F)C1 ZINC001607027075 1164063369 /nfs/dbraw/zinc/06/33/69/1164063369.db2.gz KVLOUAXJSQAHMV-SSDOTTSWSA-N -1 1 281.316 1.502 20 0 CDADMM O=C(c1ccsc1-c1nnn[n-]1)N1CC(F)(F)C1 ZINC001607026940 1164063521 /nfs/dbraw/zinc/06/35/21/1164063521.db2.gz HMEUVMYXBWDIAY-UHFFFAOYSA-N -1 1 271.252 1.019 20 0 CDADMM O=C(c1ccsc1-c1nn[n-]n1)N1CC(F)(F)C1 ZINC001607026940 1164063528 /nfs/dbraw/zinc/06/35/28/1164063528.db2.gz HMEUVMYXBWDIAY-UHFFFAOYSA-N -1 1 271.252 1.019 20 0 CDADMM O=Cc1ccccc1OCc1nc(-c2nnn[n-]2)cs1 ZINC001607056500 1164068783 /nfs/dbraw/zinc/06/87/83/1164068783.db2.gz GKSBNAYQRHTLRK-UHFFFAOYSA-N -1 1 287.304 1.715 20 0 CDADMM O=Cc1ccccc1OCc1nc(-c2nn[n-]n2)cs1 ZINC001607056500 1164068786 /nfs/dbraw/zinc/06/87/86/1164068786.db2.gz GKSBNAYQRHTLRK-UHFFFAOYSA-N -1 1 287.304 1.715 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1CC[C@H](O)c1ccccc1 ZINC001607091605 1164078645 /nfs/dbraw/zinc/07/86/45/1164078645.db2.gz JCGKJNVMIYNJCE-ZDUSSCGKSA-N -1 1 297.318 1.152 20 0 CDADMM O[C@@H]1CC[C@@H](CNc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001607100790 1164083527 /nfs/dbraw/zinc/08/35/27/1164083527.db2.gz JNBONXSWLSQMMR-HTQZYQBOSA-N -1 1 294.746 1.488 20 0 CDADMM O[C@@H]1CC[C@@H](CNc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001607100790 1164083535 /nfs/dbraw/zinc/08/35/35/1164083535.db2.gz JNBONXSWLSQMMR-HTQZYQBOSA-N -1 1 294.746 1.488 20 0 CDADMM OCc1cccc(Sc2nnccc2-c2nn[n-]n2)c1 ZINC001607108372 1164086257 /nfs/dbraw/zinc/08/62/57/1164086257.db2.gz LVYLXDUWHRIDLA-UHFFFAOYSA-N -1 1 286.320 1.300 20 0 CDADMM OCC[C@@H]1CCC[C@@H]1Nc1cccnc1-c1nnn[n-]1 ZINC001607106157 1164088095 /nfs/dbraw/zinc/08/80/95/1164088095.db2.gz RNDSHEVWLMYPBB-UWVGGRQHSA-N -1 1 274.328 1.225 20 0 CDADMM OCC[C@@H]1CCC[C@@H]1Nc1cccnc1-c1nn[n-]n1 ZINC001607106157 1164088104 /nfs/dbraw/zinc/08/81/04/1164088104.db2.gz RNDSHEVWLMYPBB-UWVGGRQHSA-N -1 1 274.328 1.225 20 0 CDADMM c1cc(-c2nc(C3CCC3)no2)cc(-c2nnn[n-]2)n1 ZINC001607114380 1164091865 /nfs/dbraw/zinc/09/18/65/1164091865.db2.gz ITKNBMBZDDAHKH-UHFFFAOYSA-N -1 1 269.268 1.579 20 0 CDADMM c1cc(-c2nc(C3CCC3)no2)cc(-c2nn[n-]n2)n1 ZINC001607114380 1164091874 /nfs/dbraw/zinc/09/18/74/1164091874.db2.gz ITKNBMBZDDAHKH-UHFFFAOYSA-N -1 1 269.268 1.579 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NCC[C@@H]1C[C@H]1C1CC1 ZINC001607116488 1164097159 /nfs/dbraw/zinc/09/71/59/1164097159.db2.gz MEVUROGTGYTSNE-ZJUUUORDSA-N -1 1 271.328 1.505 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NCC[C@@H]1C[C@H]1C1CC1 ZINC001607116488 1164097166 /nfs/dbraw/zinc/09/71/66/1164097166.db2.gz MEVUROGTGYTSNE-ZJUUUORDSA-N -1 1 271.328 1.505 20 0 CDADMM c1ccc([C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)nc1 ZINC001607128630 1164109482 /nfs/dbraw/zinc/10/94/82/1164109482.db2.gz GFEYLZRYMVDVMT-JTQLQIEISA-N -1 1 294.322 1.046 20 0 CDADMM c1ccc([C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)nc1 ZINC001607128630 1164109489 /nfs/dbraw/zinc/10/94/89/1164109489.db2.gz GFEYLZRYMVDVMT-JTQLQIEISA-N -1 1 294.322 1.046 20 0 CDADMM c1sc(CSC[C@H]2CCCO2)nc1-c1nnn[n-]1 ZINC001607138119 1164118475 /nfs/dbraw/zinc/11/84/75/1164118475.db2.gz OBOVZUPPPOAJJO-SSDOTTSWSA-N -1 1 283.382 1.735 20 0 CDADMM c1sc(CSC[C@H]2CCCO2)nc1-c1nn[n-]n1 ZINC001607138119 1164118476 /nfs/dbraw/zinc/11/84/76/1164118476.db2.gz OBOVZUPPPOAJJO-SSDOTTSWSA-N -1 1 283.382 1.735 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CSc1nnc2ccccn21 ZINC001607133219 1164113021 /nfs/dbraw/zinc/11/30/21/1164113021.db2.gz SQXDKIXOGIYDNA-UHFFFAOYSA-N -1 1 299.319 1.795 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1CSc1nnc2ccccn21 ZINC001607133219 1164113025 /nfs/dbraw/zinc/11/30/25/1164113025.db2.gz SQXDKIXOGIYDNA-UHFFFAOYSA-N -1 1 299.319 1.795 20 0 CDADMM c1ccc2c(c1)CC[C@@H](Nc1ccnc(-c3nnn[n-]3)c1)C2 ZINC001607133066 1164113077 /nfs/dbraw/zinc/11/30/77/1164113077.db2.gz ZXFYMODUAQSXSL-CYBMUJFWSA-N -1 1 292.346 1.653 20 0 CDADMM c1ccc2c(c1)CC[C@@H](Nc1ccnc(-c3nn[n-]n3)c1)C2 ZINC001607133066 1164113081 /nfs/dbraw/zinc/11/30/81/1164113081.db2.gz ZXFYMODUAQSXSL-CYBMUJFWSA-N -1 1 292.346 1.653 20 0 CDADMM c1cncc([C@H]2CCN(c3cc(-c4nnn[n-]4)ncn3)C2)c1 ZINC001607136068 1164115151 /nfs/dbraw/zinc/11/51/51/1164115151.db2.gz MBGJWIDZTYTWSD-NSHDSACASA-N -1 1 294.322 1.046 20 0 CDADMM c1cncc([C@H]2CCN(c3cc(-c4nn[n-]n4)ncn3)C2)c1 ZINC001607136068 1164115155 /nfs/dbraw/zinc/11/51/55/1164115155.db2.gz MBGJWIDZTYTWSD-NSHDSACASA-N -1 1 294.322 1.046 20 0 CDADMM c1cc(-c2ncnn2CC2CC2)sc1-c1nnn[n-]1 ZINC001607136225 1164116644 /nfs/dbraw/zinc/11/66/44/1164116644.db2.gz AHLZPJRNATYOHL-UHFFFAOYSA-N -1 1 273.325 1.597 20 0 CDADMM c1cc(-c2ncnn2CC2CC2)sc1-c1nn[n-]n1 ZINC001607136225 1164116645 /nfs/dbraw/zinc/11/66/45/1164116645.db2.gz AHLZPJRNATYOHL-UHFFFAOYSA-N -1 1 273.325 1.597 20 0 CDADMM C[C@H]1COC(C)(C)CN1C[C@@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001607479519 1164198004 /nfs/dbraw/zinc/19/80/04/1164198004.db2.gz OVFYCCHCKUDVMU-YIZRAAEISA-N -1 1 263.284 1.452 20 0 CDADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN[C@@H]1C[C@@H](O)C12CCC2 ZINC001607496112 1164206867 /nfs/dbraw/zinc/20/68/67/1164206867.db2.gz SWCZTGNELMLQAT-CHWSQXEVSA-N -1 1 292.335 1.097 20 0 CDADMM Cc1cc([C@H](C)N[C@H]2CCN(CCC(=O)[O-])C2=O)c(C)o1 ZINC001607609447 1164240301 /nfs/dbraw/zinc/24/03/01/1164240301.db2.gz JSXNZEGXSRLMKK-GWCFXTLKSA-N -1 1 294.351 1.623 20 0 CDADMM Cc1cc(CNC(=O)Cc2ccc(C(=O)[O-])cc2)n[nH]1 ZINC001607642542 1164253324 /nfs/dbraw/zinc/25/33/24/1164253324.db2.gz ROBHEBYQFQYXRO-UHFFFAOYSA-N -1 1 273.292 1.275 20 0 CDADMM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2[nH]ncc2F)c1 ZINC001607842500 1164311509 /nfs/dbraw/zinc/31/15/09/1164311509.db2.gz LVRSXEKFOKICCA-LLVKDONJSA-N -1 1 291.282 1.803 20 0 CDADMM Cc1nc(CN2CCN(CCC(=O)[O-])C[C@@H]2C)sc1C ZINC001607956218 1164353594 /nfs/dbraw/zinc/35/35/94/1164353594.db2.gz QVZOXMLHQHGDAQ-JTQLQIEISA-N -1 1 297.424 1.741 20 0 CDADMM Cn1cncc1C[N@H+]1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001608137064 1164422097 /nfs/dbraw/zinc/42/20/97/1164422097.db2.gz QEOGQBNQFPDLAC-OAHLLOKOSA-N -1 1 293.367 1.002 20 0 CDADMM O=C([O-])[C@@]1(F)CCN(Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001608576432 1164551651 /nfs/dbraw/zinc/55/16/51/1164551651.db2.gz YLPASDLHLBIGNN-OAHLLOKOSA-N -1 1 290.294 1.939 20 0 CDADMM O=C([O-])C12CC(C1)CN2Cc1nc2ccccc2[nH]1 ZINC001608581889 1164556061 /nfs/dbraw/zinc/55/60/61/1164556061.db2.gz JFECSDPBVBZHQG-UHFFFAOYSA-N -1 1 257.293 1.612 20 0 CDADMM O=C([O-])[C@H]1c2ccccc2OCCN1C(=O)c1cc[nH]n1 ZINC001608655543 1164592583 /nfs/dbraw/zinc/59/25/83/1164592583.db2.gz HLWLFLWOGCORTK-GFCCVEGCSA-N -1 1 287.275 1.070 20 0 CDADMM O=C([O-])c1ccc(CNCC(=O)N2CCCO2)cc1Cl ZINC001608886128 1164675831 /nfs/dbraw/zinc/67/58/31/1164675831.db2.gz JMMFFMHOUGQGKS-UHFFFAOYSA-N -1 1 298.726 1.292 20 0 CDADMM O=C([O-])c1cnc(NC2CCN([C@@H]3CCOC3)CC2)s1 ZINC001608976447 1164700775 /nfs/dbraw/zinc/70/07/75/1164700775.db2.gz SUACCMIAXBATJN-SNVBAGLBSA-N -1 1 297.380 1.507 20 0 CDADMM O=C([O-])c1cnoc1CN1CCOCC2(CCC2)C1 ZINC001608985088 1164707587 /nfs/dbraw/zinc/70/75/87/1164707587.db2.gz PXNOEDXVSPGHTM-UHFFFAOYSA-N -1 1 266.297 1.375 20 0 CDADMM O=C([O-])C1(C(=O)COC(=O)c2ccc(O)c(Cl)c2)CC1 ZINC001609016573 1164723955 /nfs/dbraw/zinc/72/39/55/1164723955.db2.gz HWKZALFLXOZBJN-UHFFFAOYSA-N -1 1 298.678 1.636 20 0 CDADMM O=C([O-])c1cccc(C[N@H+]2CCNC(=O)CC23CCC3)n1 ZINC001609033344 1164735738 /nfs/dbraw/zinc/73/57/38/1164735738.db2.gz CMSOHMXOWWFKMR-UHFFFAOYSA-N -1 1 289.335 1.024 20 0 CDADMM O=C([O-])c1cccc(CN2CCNC(=O)CC23CCC3)n1 ZINC001609033344 1164735744 /nfs/dbraw/zinc/73/57/44/1164735744.db2.gz CMSOHMXOWWFKMR-UHFFFAOYSA-N -1 1 289.335 1.024 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)[C@@H]3CCC(=O)C3)[nH]c21 ZINC001609035321 1164736910 /nfs/dbraw/zinc/73/69/10/1164736910.db2.gz DUUZOKSGGPPKLN-SSDOTTSWSA-N -1 1 287.275 1.569 20 0 CDADMM CC1(CC(F)F)CN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001609148578 1164795893 /nfs/dbraw/zinc/79/58/93/1164795893.db2.gz CGUYDSNQMCGKMI-UHFFFAOYSA-N -1 1 297.265 1.577 20 0 CDADMM CC1(CC(F)F)CN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001609148578 1164795902 /nfs/dbraw/zinc/79/59/02/1164795902.db2.gz CGUYDSNQMCGKMI-UHFFFAOYSA-N -1 1 297.265 1.577 20 0 CDADMM C[C@H]1CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1C ZINC001609170918 1164814325 /nfs/dbraw/zinc/81/43/25/1164814325.db2.gz ATAFELIYNPCWON-IUCAKERBSA-N -1 1 289.314 1.734 20 0 CDADMM C[C@H]1CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1C ZINC001609170918 1164814333 /nfs/dbraw/zinc/81/43/33/1164814333.db2.gz ATAFELIYNPCWON-IUCAKERBSA-N -1 1 289.314 1.734 20 0 CDADMM CC1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001609176025 1164817766 /nfs/dbraw/zinc/81/77/66/1164817766.db2.gz GXAFOXZTGWGVKY-UHFFFAOYSA-N -1 1 256.722 1.433 20 0 CDADMM CC1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001609176025 1164817769 /nfs/dbraw/zinc/81/77/69/1164817769.db2.gz GXAFOXZTGWGVKY-UHFFFAOYSA-N -1 1 256.722 1.433 20 0 CDADMM CC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)[C@H](O)C(C)C ZINC001609195042 1164835550 /nfs/dbraw/zinc/83/55/50/1164835550.db2.gz WBZPXIPITMOZBF-BXKDBHETSA-N -1 1 276.344 1.469 20 0 CDADMM CC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)[C@H](O)C(C)C ZINC001609195042 1164835555 /nfs/dbraw/zinc/83/55/55/1164835555.db2.gz WBZPXIPITMOZBF-BXKDBHETSA-N -1 1 276.344 1.469 20 0 CDADMM CC[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)ncn2)CCO1 ZINC001609199305 1164839707 /nfs/dbraw/zinc/83/97/07/1164839707.db2.gz UKELEBAWEMSRRT-RKDXNWHRSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)ncn2)CCO1 ZINC001609199305 1164839711 /nfs/dbraw/zinc/83/97/11/1164839711.db2.gz UKELEBAWEMSRRT-RKDXNWHRSA-N -1 1 275.316 1.026 20 0 CDADMM CCO[C@H]1C[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001609242276 1164863998 /nfs/dbraw/zinc/86/39/98/1164863998.db2.gz ZHVFNQHTVMDODJ-OCAPTIKFSA-N -1 1 294.746 1.895 20 0 CDADMM CCO[C@H]1C[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001609242276 1164864006 /nfs/dbraw/zinc/86/40/06/1164864006.db2.gz ZHVFNQHTVMDODJ-OCAPTIKFSA-N -1 1 294.746 1.895 20 0 CDADMM CN(C(=O)c1ccc(-c2nnn[n-]2)o1)[C@H]1CCSC1 ZINC001609262708 1164872273 /nfs/dbraw/zinc/87/22/73/1164872273.db2.gz MPCZTJCIUYZECR-ZETCQYMHSA-N -1 1 279.325 1.037 20 0 CDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)o1)[C@H]1CCSC1 ZINC001609262708 1164872277 /nfs/dbraw/zinc/87/22/77/1164872277.db2.gz MPCZTJCIUYZECR-ZETCQYMHSA-N -1 1 279.325 1.037 20 0 CDADMM COC(C)(C)CCOC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001609307846 1164886380 /nfs/dbraw/zinc/88/63/80/1164886380.db2.gz SKLMPFMPBKVBDA-UHFFFAOYSA-N -1 1 291.311 1.234 20 0 CDADMM COC(C)(C)CCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001609307846 1164886386 /nfs/dbraw/zinc/88/63/86/1164886386.db2.gz SKLMPFMPBKVBDA-UHFFFAOYSA-N -1 1 291.311 1.234 20 0 CDADMM CO[C@H]1CN(c2cccnc2-c2nnn[n-]2)CC[C@H]1C ZINC001609315771 1164895443 /nfs/dbraw/zinc/89/54/43/1164895443.db2.gz SRXBBPQPYRDPMG-KOLCDFICSA-N -1 1 274.328 1.123 20 0 CDADMM CO[C@H]1CN(c2cccnc2-c2nn[n-]n2)CC[C@H]1C ZINC001609315771 1164895450 /nfs/dbraw/zinc/89/54/50/1164895450.db2.gz SRXBBPQPYRDPMG-KOLCDFICSA-N -1 1 274.328 1.123 20 0 CDADMM CSC1(COC(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC001609369699 1164910372 /nfs/dbraw/zinc/91/03/72/1164910372.db2.gz JUEIZCQUFLIINV-UHFFFAOYSA-N -1 1 296.377 1.981 20 0 CDADMM CSC[C@H](CCO)Nc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001609370663 1164914628 /nfs/dbraw/zinc/91/46/28/1164914628.db2.gz SKOCOTIDHCARAG-VIFPVBQESA-N -1 1 294.384 1.096 20 0 CDADMM CSC[C@H](CCO)Nc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001609370663 1164914630 /nfs/dbraw/zinc/91/46/30/1164914630.db2.gz SKOCOTIDHCARAG-VIFPVBQESA-N -1 1 294.384 1.096 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CC2CCCC2)n1 ZINC001609391395 1164921954 /nfs/dbraw/zinc/92/19/54/1164921954.db2.gz HDEOFBKJPZKQSC-UHFFFAOYSA-N -1 1 273.344 1.592 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CC2CCCC2)n1 ZINC001609391395 1164921961 /nfs/dbraw/zinc/92/19/61/1164921961.db2.gz HDEOFBKJPZKQSC-UHFFFAOYSA-N -1 1 273.344 1.592 20 0 CDADMM Cc1ccc(N[C@H](C)C[C@@H]2CCOC2)nc1-c1nnn[n-]1 ZINC001609426575 1164942288 /nfs/dbraw/zinc/94/22/88/1164942288.db2.gz AHKVBIMNQIXROM-MNOVXSKESA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(N[C@H](C)C[C@@H]2CCOC2)nc1-c1nn[n-]n1 ZINC001609426575 1164942291 /nfs/dbraw/zinc/94/22/91/1164942291.db2.gz AHKVBIMNQIXROM-MNOVXSKESA-N -1 1 288.355 1.797 20 0 CDADMM O=C(CC1CCCC1)OCc1nc(-c2nnn[n-]2)cs1 ZINC001609520295 1164981330 /nfs/dbraw/zinc/98/13/30/1164981330.db2.gz LZCPYHZDKJAQQO-UHFFFAOYSA-N -1 1 293.352 1.947 20 0 CDADMM O=C(CC1CCCC1)OCc1nc(-c2nn[n-]n2)cs1 ZINC001609520295 1164981333 /nfs/dbraw/zinc/98/13/33/1164981333.db2.gz LZCPYHZDKJAQQO-UHFFFAOYSA-N -1 1 293.352 1.947 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001609577306 1164994660 /nfs/dbraw/zinc/99/46/60/1164994660.db2.gz GRXQVBIZFFZKOF-UMNHJUIQSA-N -1 1 299.334 1.741 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001609577306 1164994666 /nfs/dbraw/zinc/99/46/66/1164994666.db2.gz GRXQVBIZFFZKOF-UMNHJUIQSA-N -1 1 299.334 1.741 20 0 CDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCCCO1 ZINC001609618127 1165012316 /nfs/dbraw/zinc/01/23/16/1165012316.db2.gz SJQOMAYMZXJFBG-UHFFFAOYSA-N -1 1 283.295 1.342 20 0 CDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCCCO1 ZINC001609618127 1165012323 /nfs/dbraw/zinc/01/23/23/1165012323.db2.gz SJQOMAYMZXJFBG-UHFFFAOYSA-N -1 1 283.295 1.342 20 0 CDADMM Cc1ccccc1NC(=O)[C@@H](C)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001610533033 1165341231 /nfs/dbraw/zinc/34/12/31/1165341231.db2.gz UULKUHAXGPFBSF-NMKXLXIOSA-N -1 1 288.347 1.584 20 0 CDADMM O=C([O-])c1ccc(F)c(COC(=O)CCc2nc[nH]n2)c1 ZINC001610660210 1165400350 /nfs/dbraw/zinc/40/03/50/1165400350.db2.gz CGKHMAGVEBQRSJ-UHFFFAOYSA-N -1 1 293.254 1.318 20 0 CDADMM O=C([O-])CC1(NCc2nc(-c3ccoc3)no2)CCC1 ZINC001610759304 1165431761 /nfs/dbraw/zinc/43/17/61/1165431761.db2.gz NGKOYXYHGVSXNN-UHFFFAOYSA-N -1 1 277.280 1.817 20 0 CDADMM CSc1ncc(C(=O)N[C@H](C)C2CCC2)c(=O)[n-]1 ZINC001611012014 1165479235 /nfs/dbraw/zinc/47/92/35/1165479235.db2.gz GJCMTDOTMYCDBT-SSDOTTSWSA-N -1 1 267.354 1.823 20 0 CDADMM Cc1noc(-c2ccc(C(=O)Nc3c[n-][nH]c3=O)cc2)n1 ZINC001611374442 1165491544 /nfs/dbraw/zinc/49/15/44/1165491544.db2.gz SIVYIZCOKRATBK-UHFFFAOYSA-N -1 1 285.263 1.726 20 0 CDADMM Cn1cc(-c2cccc(NC(=O)c3ccc([O-])cn3)c2)nn1 ZINC001629892891 1166170267 /nfs/dbraw/zinc/17/02/67/1166170267.db2.gz DVVGYGKISQXMPI-UHFFFAOYSA-N -1 1 295.302 1.835 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2ccnc3ccncc32)c1[O-] ZINC001630644773 1166219268 /nfs/dbraw/zinc/21/92/68/1166219268.db2.gz LGOLFNHKZUPXGK-UHFFFAOYSA-N -1 1 269.264 1.619 20 0 CDADMM Cc1ccoc1CC(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001630783282 1166232535 /nfs/dbraw/zinc/23/25/35/1166232535.db2.gz MSKYBICRDMZKTR-AWEZNQCLSA-N -1 1 297.318 1.549 20 0 CDADMM Cn1cncc1CC(=O)Nc1cc([O-])c(F)cc1F ZINC001638528124 1166852926 /nfs/dbraw/zinc/85/29/26/1166852926.db2.gz MYCIHUBEPSJTLL-UHFFFAOYSA-N -1 1 267.235 1.585 20 0 CDADMM Cc1conc1C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001641602028 1167124526 /nfs/dbraw/zinc/12/45/26/1167124526.db2.gz OBNQUEOKONIMGW-LLVKDONJSA-N -1 1 284.279 1.016 20 0 CDADMM O=C(NCc1ccc2nonc2c1)c1ccc([O-])cn1 ZINC001646819999 1168161215 /nfs/dbraw/zinc/16/12/15/1168161215.db2.gz ROJKGMDVSSEOPS-UHFFFAOYSA-N -1 1 270.248 1.253 20 0 CDADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC[C@H](CCO)C1 ZINC001647410675 1168656484 /nfs/dbraw/zinc/65/64/84/1168656484.db2.gz WCCQEAATVHYWGK-SNVBAGLBSA-N -1 1 291.351 1.294 20 0 CDADMM O=C(Nc1cnc2ccnn2c1)c1cc(F)ccc1[O-] ZINC001648677201 1169150909 /nfs/dbraw/zinc/15/09/09/1169150909.db2.gz UZJJFGLRXDKOLE-UHFFFAOYSA-N -1 1 272.239 1.826 20 0 CDADMM CC1(C)CN(C(=O)c2cnc(C3CC3)[n-]c2=O)CC[C@H]1O ZINC001650020599 1169617651 /nfs/dbraw/zinc/61/76/51/1169617651.db2.gz LJYXQQBRJSYCFU-LLVKDONJSA-N -1 1 291.351 1.293 20 0 CDADMM C[C@H]1CCCN(C(=O)CCNc2cc(Cl)[n-]c(=O)n2)C1 ZINC001650225103 1170849587 /nfs/dbraw/zinc/84/95/87/1170849587.db2.gz RQGFJNZGNGMNTQ-VIFPVBQESA-N -1 1 298.774 1.896 20 0 CDADMM CS[C@@H]1CCC[C@@H](NCc2nc(C(=O)[O-])n[nH]2)C1 ZINC001574097935 1170878423 /nfs/dbraw/zinc/87/84/23/1170878423.db2.gz VGQINZHMNIXPNN-HTQZYQBOSA-N -1 1 270.358 1.267 20 0 CDADMM O=C([O-])C[C@@H]1CCCN1Cc1nc(CO)cs1 ZINC001574361428 1170958393 /nfs/dbraw/zinc/95/83/93/1170958393.db2.gz HXSJPPVMVVPHAK-VIFPVBQESA-N -1 1 256.327 1.075 20 0 CDADMM O=C([O-])[C@@H]1[C@@H]2CCN(Cc3ccnn3CC3CC3)C[C@@H]21 ZINC001574406075 1170974948 /nfs/dbraw/zinc/97/49/48/1170974948.db2.gz SZEFCJAJHYANLV-HZSPNIEDSA-N -1 1 275.352 1.446 20 0 CDADMM O=C(CSCc1cn[nH]n1)Nc1nc(Cl)ccc1[O-] ZINC001577958660 1171782066 /nfs/dbraw/zinc/78/20/66/1171782066.db2.gz KGKHVQKFTXHMAU-UHFFFAOYSA-N -1 1 299.743 1.431 20 0 CDADMM CCc1nc(NCc2ccccn2)cc(-c2nnn[n-]2)n1 ZINC001578669570 1171975311 /nfs/dbraw/zinc/97/53/11/1171975311.db2.gz SKFZZGRGIZTBJD-UHFFFAOYSA-N -1 1 282.311 1.226 20 0 CDADMM CCc1nc(NCc2ccccn2)cc(-c2nn[n-]n2)n1 ZINC001578669570 1171975327 /nfs/dbraw/zinc/97/53/27/1171975327.db2.gz SKFZZGRGIZTBJD-UHFFFAOYSA-N -1 1 282.311 1.226 20 0 CDADMM C=C/C=C/CCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001588530508 1173074514 /nfs/dbraw/zinc/07/45/14/1173074514.db2.gz NSOSXTPHWJLEMP-ONEGZZNKSA-N -1 1 270.296 1.124 20 0 CDADMM C=C/C=C/CCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001588530508 1173074518 /nfs/dbraw/zinc/07/45/18/1173074518.db2.gz NSOSXTPHWJLEMP-ONEGZZNKSA-N -1 1 270.296 1.124 20 0 CDADMM C[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])n1cccc1 ZINC001589011766 1173120708 /nfs/dbraw/zinc/12/07/08/1173120708.db2.gz LKWQTIHVQMSQMF-SECBINFHSA-N -1 1 298.306 1.574 20 0 CDADMM CC(C)[C@]1(C)C[C@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001589491684 1173152079 /nfs/dbraw/zinc/15/20/79/1173152079.db2.gz WLFKEHSBGWHHCP-SKDRFNHKSA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)[C@]1(C)C[C@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001589491684 1173152083 /nfs/dbraw/zinc/15/20/83/1173152083.db2.gz WLFKEHSBGWHHCP-SKDRFNHKSA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)OCCOC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001589749309 1173173774 /nfs/dbraw/zinc/17/37/74/1173173774.db2.gz ROJZGKRLMPISAE-UHFFFAOYSA-N -1 1 294.286 1.588 20 0 CDADMM CC(C)OCCOC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001589749309 1173173779 /nfs/dbraw/zinc/17/37/79/1173173779.db2.gz ROJZGKRLMPISAE-UHFFFAOYSA-N -1 1 294.286 1.588 20 0 CDADMM CC(C)c1ocnc1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589780373 1173177997 /nfs/dbraw/zinc/17/79/97/1173177997.db2.gz FEGKWQIHALFGIO-UHFFFAOYSA-N -1 1 299.294 1.625 20 0 CDADMM CC(C)c1ocnc1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589780373 1173178002 /nfs/dbraw/zinc/17/80/02/1173178002.db2.gz FEGKWQIHALFGIO-UHFFFAOYSA-N -1 1 299.294 1.625 20 0 CDADMM CC(C)c1ncn(Cc2ccc(-c3nnn[n-]3)o2)n1 ZINC001589776501 1173180216 /nfs/dbraw/zinc/18/02/16/1173180216.db2.gz MCMLPYSZJFHJRA-UHFFFAOYSA-N -1 1 259.273 1.223 20 0 CDADMM CC(C)c1ncn(Cc2ccc(-c3nn[n-]n3)o2)n1 ZINC001589776501 1173180219 /nfs/dbraw/zinc/18/02/19/1173180219.db2.gz MCMLPYSZJFHJRA-UHFFFAOYSA-N -1 1 259.273 1.223 20 0 CDADMM C[C@H](COCc1ccccc1)Cn1cc(-c2nn[n-]n2)nn1 ZINC001589885745 1173195647 /nfs/dbraw/zinc/19/56/47/1173195647.db2.gz PRDOQFCPGNLWJT-NSHDSACASA-N -1 1 299.338 1.311 20 0 CDADMM C[C@H](CO)CSc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001589882177 1173196051 /nfs/dbraw/zinc/19/60/51/1173196051.db2.gz KLEOAKLPJJCCNN-SCSAIBSYSA-N -1 1 291.789 1.697 20 0 CDADMM C[C@H](COC(=O)c1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001589883384 1173196154 /nfs/dbraw/zinc/19/61/54/1173196154.db2.gz DNEGNOCVKCVUKD-MRVPVSSYSA-N -1 1 273.296 1.465 20 0 CDADMM C[C@H](COC(=O)c1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001589883384 1173196158 /nfs/dbraw/zinc/19/61/58/1173196158.db2.gz DNEGNOCVKCVUKD-MRVPVSSYSA-N -1 1 273.296 1.465 20 0 CDADMM C[C@H](C[C@H](C)O)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589998751 1173229706 /nfs/dbraw/zinc/22/97/06/1173229706.db2.gz RSVJATNBZKXPPS-SFYZADRCSA-N -1 1 289.343 1.105 20 0 CDADMM C[C@H](C[C@H](C)O)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589998751 1173229713 /nfs/dbraw/zinc/22/97/13/1173229713.db2.gz RSVJATNBZKXPPS-SFYZADRCSA-N -1 1 289.343 1.105 20 0 CDADMM C[C@H](Oc1cnc(-c2nn[n-]n2)nc1)C(=O)C(C)(C)C ZINC001590034201 1173238223 /nfs/dbraw/zinc/23/82/23/1173238223.db2.gz GSKHFNMZJUUPKO-ZETCQYMHSA-N -1 1 276.300 1.039 20 0 CDADMM C[C@]1(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)C=CCC1 ZINC001590069713 1173244309 /nfs/dbraw/zinc/24/43/09/1173244309.db2.gz SMNSATHOXSISLR-AWEZNQCLSA-N -1 1 299.338 1.762 20 0 CDADMM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590186284 1173280287 /nfs/dbraw/zinc/28/02/87/1173280287.db2.gz BRSGUSPGUKAMCZ-KXUCPTDWSA-N -1 1 289.339 1.966 20 0 CDADMM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590186284 1173280293 /nfs/dbraw/zinc/28/02/93/1173280293.db2.gz BRSGUSPGUKAMCZ-KXUCPTDWSA-N -1 1 289.339 1.966 20 0 CDADMM CC1CC(NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590200090 1173290388 /nfs/dbraw/zinc/29/03/88/1173290388.db2.gz PAKVCYXAXWYXRV-UHFFFAOYSA-N -1 1 273.300 1.182 20 0 CDADMM CC1CC(NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590200090 1173290393 /nfs/dbraw/zinc/29/03/93/1173290393.db2.gz PAKVCYXAXWYXRV-UHFFFAOYSA-N -1 1 273.300 1.182 20 0 CDADMM C[C@H]1CCC(C)(C)N1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590224724 1173303226 /nfs/dbraw/zinc/30/32/26/1173303226.db2.gz CIFXWTVXAXEPIY-VIFPVBQESA-N -1 1 286.339 1.665 20 0 CDADMM C[C@H]1CCC(C)(C)N1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590224724 1173303234 /nfs/dbraw/zinc/30/32/34/1173303234.db2.gz CIFXWTVXAXEPIY-VIFPVBQESA-N -1 1 286.339 1.665 20 0 CDADMM C[C@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001590231027 1173307889 /nfs/dbraw/zinc/30/78/89/1173307889.db2.gz OAUKQJIMFOFPFT-DTWKUNHWSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001590231027 1173307896 /nfs/dbraw/zinc/30/78/96/1173307896.db2.gz OAUKQJIMFOFPFT-DTWKUNHWSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@@H]1CCC[C@H](C)CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590243700 1173314844 /nfs/dbraw/zinc/31/48/44/1173314844.db2.gz MTUGSIKMCWGPJK-VHSXEESVSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1CCC[C@H](C)CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590243700 1173314852 /nfs/dbraw/zinc/31/48/52/1173314852.db2.gz MTUGSIKMCWGPJK-VHSXEESVSA-N -1 1 273.344 1.672 20 0 CDADMM CC1CCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001590269855 1173331266 /nfs/dbraw/zinc/33/12/66/1173331266.db2.gz HQYNJRMGVDBELH-UHFFFAOYSA-N -1 1 289.314 1.878 20 0 CDADMM CC1CCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001590269855 1173331275 /nfs/dbraw/zinc/33/12/75/1173331275.db2.gz HQYNJRMGVDBELH-UHFFFAOYSA-N -1 1 289.314 1.878 20 0 CDADMM C[C@H]1COCC[C@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC001590321859 1173355951 /nfs/dbraw/zinc/35/59/51/1173355951.db2.gz CZJSWONELHNHRB-UWVGGRQHSA-N -1 1 274.328 1.346 20 0 CDADMM C[C@H]1COCC[C@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC001590321859 1173355957 /nfs/dbraw/zinc/35/59/57/1173355957.db2.gz CZJSWONELHNHRB-UWVGGRQHSA-N -1 1 274.328 1.346 20 0 CDADMM CC=CC=CC(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001590353092 1173371156 /nfs/dbraw/zinc/37/11/56/1173371156.db2.gz NWXKZIQLWNFVDJ-MQQKCMAXSA-N -1 1 285.311 1.538 20 0 CDADMM CCC1(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CCCC1 ZINC001590488235 1173431533 /nfs/dbraw/zinc/43/15/33/1173431533.db2.gz JKJITPFPGFTCHW-UHFFFAOYSA-N -1 1 275.316 1.499 20 0 CDADMM CCC1(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CCCC1 ZINC001590488235 1173431538 /nfs/dbraw/zinc/43/15/38/1173431538.db2.gz JKJITPFPGFTCHW-UHFFFAOYSA-N -1 1 275.316 1.499 20 0 CDADMM CCC1(CC)CN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590494484 1173435198 /nfs/dbraw/zinc/43/51/98/1173435198.db2.gz RODGMAAESHTCJO-UHFFFAOYSA-N -1 1 258.329 1.888 20 0 CDADMM CCC1(CC)CN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590494484 1173435201 /nfs/dbraw/zinc/43/52/01/1173435201.db2.gz RODGMAAESHTCJO-UHFFFAOYSA-N -1 1 258.329 1.888 20 0 CDADMM CCOC1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001590795300 1173514267 /nfs/dbraw/zinc/51/42/67/1173514267.db2.gz AMDOWAWDOLBJDR-UHFFFAOYSA-N -1 1 280.719 1.140 20 0 CDADMM CCc1ccc(Nc2ccnc(-c3nn[n-]n3)n2)cc1C ZINC001590890938 1173537024 /nfs/dbraw/zinc/53/70/24/1173537024.db2.gz ALVDHBKWZNHUEI-UHFFFAOYSA-N -1 1 281.323 1.693 20 0 CDADMM CCc1ccccc1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001590897445 1173537343 /nfs/dbraw/zinc/53/73/43/1173537343.db2.gz DRCXLIDFHVIIIC-UHFFFAOYSA-N -1 1 281.323 1.253 20 0 CDADMM CCc1nc(N[C@@H]2CCO[C@H]2CC)cc(-c2nnn[n-]2)n1 ZINC001590923369 1173545204 /nfs/dbraw/zinc/54/52/04/1173545204.db2.gz XNKSXFFEGQJOIC-SCZZXKLOSA-N -1 1 289.343 1.199 20 0 CDADMM CCc1nc(N[C@@H]2CCO[C@H]2CC)cc(-c2nn[n-]n2)n1 ZINC001590923369 1173545212 /nfs/dbraw/zinc/54/52/12/1173545212.db2.gz XNKSXFFEGQJOIC-SCZZXKLOSA-N -1 1 289.343 1.199 20 0 CDADMM CCn1nccc1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590970940 1173552408 /nfs/dbraw/zinc/55/24/08/1173552408.db2.gz KEPVBPHLVCYZGW-UHFFFAOYSA-N -1 1 287.283 1.237 20 0 CDADMM CCn1nccc1NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590970940 1173552414 /nfs/dbraw/zinc/55/24/14/1173552414.db2.gz KEPVBPHLVCYZGW-UHFFFAOYSA-N -1 1 287.283 1.237 20 0 CDADMM COC(=O)c1ccc(NCCCCF)c(-c2nnn[n-]2)n1 ZINC001591295906 1173598328 /nfs/dbraw/zinc/59/83/28/1173598328.db2.gz HBAKDXRYJQNWCY-UHFFFAOYSA-N -1 1 294.290 1.210 20 0 CDADMM COC(=O)c1ccc(NCCCCF)c(-c2nn[n-]n2)n1 ZINC001591295906 1173598331 /nfs/dbraw/zinc/59/83/31/1173598331.db2.gz HBAKDXRYJQNWCY-UHFFFAOYSA-N -1 1 294.290 1.210 20 0 CDADMM CO[C@H](COC(=O)c1cccc(-c2nnn[n-]2)n1)C(C)C ZINC001591335515 1173614579 /nfs/dbraw/zinc/61/45/79/1173614579.db2.gz ONHSPUHJLQOYCO-LLVKDONJSA-N -1 1 291.311 1.090 20 0 CDADMM CO[C@H](COC(=O)c1cccc(-c2nn[n-]n2)n1)C(C)C ZINC001591335515 1173614581 /nfs/dbraw/zinc/61/45/81/1173614581.db2.gz ONHSPUHJLQOYCO-LLVKDONJSA-N -1 1 291.311 1.090 20 0 CDADMM COC/C(C)=C\CSc1cccnc1-c1nnn[n-]1 ZINC001591372220 1173634417 /nfs/dbraw/zinc/63/44/17/1173634417.db2.gz VZBPZNOASBADLB-UITAMQMPSA-N -1 1 277.353 1.947 20 0 CDADMM COC/C(C)=C\CSc1cccnc1-c1nn[n-]n1 ZINC001591372220 1173634419 /nfs/dbraw/zinc/63/44/19/1173634419.db2.gz VZBPZNOASBADLB-UITAMQMPSA-N -1 1 277.353 1.947 20 0 CDADMM COC[C@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001591383056 1173638870 /nfs/dbraw/zinc/63/88/70/1173638870.db2.gz SLQJQSAVLXQQAK-AWEZNQCLSA-N -1 1 296.334 1.483 20 0 CDADMM COC[C@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001591383056 1173638877 /nfs/dbraw/zinc/63/88/77/1173638877.db2.gz SLQJQSAVLXQQAK-AWEZNQCLSA-N -1 1 296.334 1.483 20 0 CDADMM COC[C@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ccccc1 ZINC001591383137 1173639708 /nfs/dbraw/zinc/63/97/08/1173639708.db2.gz WFDPPHVWJCTRNP-LBPRGKRZSA-N -1 1 297.322 1.456 20 0 CDADMM COC[C@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ccccc1 ZINC001591383137 1173639711 /nfs/dbraw/zinc/63/97/11/1173639711.db2.gz WFDPPHVWJCTRNP-LBPRGKRZSA-N -1 1 297.322 1.456 20 0 CDADMM COC[C@@H]1CCCCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591392105 1173642874 /nfs/dbraw/zinc/64/28/74/1173642874.db2.gz DFDHYCRXSZBQEV-JTQLQIEISA-N -1 1 291.311 1.101 20 0 CDADMM COC[C@@H]1CCCCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591392105 1173642876 /nfs/dbraw/zinc/64/28/76/1173642876.db2.gz DFDHYCRXSZBQEV-JTQLQIEISA-N -1 1 291.311 1.101 20 0 CDADMM CO[C@@]1(C)C[C@H]1Nc1snc(C)c1-c1nn[n-]n1 ZINC001591473782 1173659288 /nfs/dbraw/zinc/65/92/88/1173659288.db2.gz SSQUMDKTCWZTTP-LDWIPMOCSA-N -1 1 266.330 1.221 20 0 CDADMM COc1cc(C)cc(CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001591520223 1173663397 /nfs/dbraw/zinc/66/33/97/1173663397.db2.gz RLWDZJISGKKGMZ-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1cc(C)cc(CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001591520223 1173663400 /nfs/dbraw/zinc/66/34/00/1173663400.db2.gz RLWDZJISGKKGMZ-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM C[C@@H]1C[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001591753308 1173696455 /nfs/dbraw/zinc/69/64/55/1173696455.db2.gz QHRVQYVOPBWRQZ-HTRCEHHLSA-N -1 1 278.341 1.136 20 0 CDADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)c1cccs1 ZINC001591770070 1173696931 /nfs/dbraw/zinc/69/69/31/1173696931.db2.gz HYNFIZZYBHZSAT-ZETCQYMHSA-N -1 1 273.325 1.891 20 0 CDADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)c1cccs1 ZINC001591770070 1173696933 /nfs/dbraw/zinc/69/69/33/1173696933.db2.gz HYNFIZZYBHZSAT-ZETCQYMHSA-N -1 1 273.325 1.891 20 0 CDADMM C[C@]12CN(c3ncncc3-c3nn[n-]n3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001591779908 1173701606 /nfs/dbraw/zinc/70/16/06/1173701606.db2.gz BOOGREFMOYPCSP-NPZRNVLXSA-N -1 1 297.366 1.529 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H]2CC[C@@H]3C[C@@H]32)n1 ZINC001591895494 1173741264 /nfs/dbraw/zinc/74/12/64/1173741264.db2.gz MQLQONHXQQUXLY-HBNTYKKESA-N -1 1 285.355 1.813 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H]2CC[C@@H]3C[C@@H]32)n1 ZINC001591895494 1173741269 /nfs/dbraw/zinc/74/12/69/1173741269.db2.gz MQLQONHXQQUXLY-HBNTYKKESA-N -1 1 285.355 1.813 20 0 CDADMM Cc1cc(N[C@@H]2C[C@H]3CCC[C@@H]32)cc(-c2nnn[n-]2)n1 ZINC001592036381 1173779159 /nfs/dbraw/zinc/77/91/59/1173779159.db2.gz LGXMAICUCHJPOS-ADEWGFFLSA-N -1 1 270.340 1.593 20 0 CDADMM Cc1cc(N[C@@H]2C[C@H]3CCC[C@@H]32)cc(-c2nn[n-]n2)n1 ZINC001592036381 1173779164 /nfs/dbraw/zinc/77/91/64/1173779164.db2.gz LGXMAICUCHJPOS-ADEWGFFLSA-N -1 1 270.340 1.593 20 0 CDADMM Cc1cc(NC[C@H](O)CC(C)(C)C)nc(-c2nnn[n-]2)c1 ZINC001592041689 1173782442 /nfs/dbraw/zinc/78/24/42/1173782442.db2.gz HFRXJAMMXQSINC-SNVBAGLBSA-N -1 1 290.371 1.779 20 0 CDADMM Cc1cc(NC[C@H](O)CC(C)(C)C)nc(-c2nn[n-]n2)c1 ZINC001592041689 1173782447 /nfs/dbraw/zinc/78/24/47/1173782447.db2.gz HFRXJAMMXQSINC-SNVBAGLBSA-N -1 1 290.371 1.779 20 0 CDADMM Cc1ccc(N2CCC[C@@H]2C[C@@H](C)O)nc1-c1nnn[n-]1 ZINC001592177195 1173823605 /nfs/dbraw/zinc/82/36/05/1173823605.db2.gz XBWYQUHBDRTDTI-GHMZBOCLSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1ccc(N2CCC[C@@H]2C[C@@H](C)O)nc1-c1nn[n-]n1 ZINC001592177195 1173823609 /nfs/dbraw/zinc/82/36/09/1173823609.db2.gz XBWYQUHBDRTDTI-GHMZBOCLSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1[nH]nc(NC(=O)c2cc(O)ccc2C)c1-c1nn[n-]n1 ZINC001592185990 1173830692 /nfs/dbraw/zinc/83/06/92/1173830692.db2.gz DNXBTWMEYKLDDV-UHFFFAOYSA-N -1 1 299.294 1.165 20 0 CDADMM Cc1ccc2c(c1)CN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001592204151 1173833331 /nfs/dbraw/zinc/83/33/31/1173833331.db2.gz QUUBNLDLUZRTFM-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM Cc1ccc2c(c1)CN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001592204151 1173833337 /nfs/dbraw/zinc/83/33/37/1173833337.db2.gz QUUBNLDLUZRTFM-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM Cc1cccnc1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592264602 1173838715 /nfs/dbraw/zinc/83/87/15/1173838715.db2.gz RPYSVDRUMNXJMS-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1cccnc1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592264602 1173838722 /nfs/dbraw/zinc/83/87/22/1173838722.db2.gz RPYSVDRUMNXJMS-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1ccccc1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001592257956 1173839059 /nfs/dbraw/zinc/83/90/59/1173839059.db2.gz LTXHWGMNTBDZBN-UHFFFAOYSA-N -1 1 281.323 1.042 20 0 CDADMM Cc1conc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592312685 1173851896 /nfs/dbraw/zinc/85/18/96/1173851896.db2.gz UHRYFIDAYJDLHU-UHFFFAOYSA-N -1 1 260.213 1.008 20 0 CDADMM Cc1nc(-c2nn[n-]n2)c(-n2nc(C(F)(F)F)cc2C)o1 ZINC001592334643 1173856101 /nfs/dbraw/zinc/85/61/01/1173856101.db2.gz CLPYJRWFNOAYLQ-UHFFFAOYSA-N -1 1 299.216 1.676 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N(C)Cc2cccc(F)c2)n1 ZINC001592338498 1173859662 /nfs/dbraw/zinc/85/96/62/1173859662.db2.gz DLPIBLLPNSWFST-UHFFFAOYSA-N -1 1 299.313 1.741 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N(C)Cc2cccc(F)c2)n1 ZINC001592338498 1173859666 /nfs/dbraw/zinc/85/96/66/1173859666.db2.gz DLPIBLLPNSWFST-UHFFFAOYSA-N -1 1 299.313 1.741 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](C)[C@H]2C)n1 ZINC001592341373 1173861113 /nfs/dbraw/zinc/86/11/13/1173861113.db2.gz RFVLJNQEOSQUHR-RKDXNWHRSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](C)[C@H]2C)n1 ZINC001592341373 1173861120 /nfs/dbraw/zinc/86/11/20/1173861120.db2.gz RFVLJNQEOSQUHR-RKDXNWHRSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1c([C@@H](C)Nc2cc(-c3nnn[n-]3)nc(C)n2)cnn1C ZINC001592381266 1173872420 /nfs/dbraw/zinc/87/24/20/1173872420.db2.gz WOIPCNZUEARYCF-SSDOTTSWSA-N -1 1 299.342 1.180 20 0 CDADMM Cc1c([C@@H](C)Nc2cc(-c3nn[n-]n3)nc(C)n2)cnn1C ZINC001592381266 1173872429 /nfs/dbraw/zinc/87/24/29/1173872429.db2.gz WOIPCNZUEARYCF-SSDOTTSWSA-N -1 1 299.342 1.180 20 0 CDADMM Cc1nsc(N[C@H]2CCS[C@@H]2C)c1-c1nn[n-]n1 ZINC001592486412 1173902257 /nfs/dbraw/zinc/90/22/57/1173902257.db2.gz KDQGZDJORXOBTK-RQJHMYQMSA-N -1 1 282.398 1.938 20 0 CDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)n1 ZINC001592560446 1173918129 /nfs/dbraw/zinc/91/81/29/1173918129.db2.gz CNMVRNXPLPGRIC-KXUCPTDWSA-N -1 1 299.338 1.141 20 0 CDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)n1 ZINC001592560446 1173918132 /nfs/dbraw/zinc/91/81/32/1173918132.db2.gz CNMVRNXPLPGRIC-KXUCPTDWSA-N -1 1 299.338 1.141 20 0 CDADMM FC(F)(F)c1cccnc1Cn1ccnc1-c1nnn[n-]1 ZINC001592621768 1173929097 /nfs/dbraw/zinc/92/90/97/1173929097.db2.gz XHZFKMSNXPIHBK-UHFFFAOYSA-N -1 1 295.228 1.525 20 0 CDADMM FC(F)(F)c1cccnc1Cn1ccnc1-c1nn[n-]n1 ZINC001592621768 1173929101 /nfs/dbraw/zinc/92/91/01/1173929101.db2.gz XHZFKMSNXPIHBK-UHFFFAOYSA-N -1 1 295.228 1.525 20 0 CDADMM FC1(F)CCC[C@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001592628006 1173936362 /nfs/dbraw/zinc/93/63/62/1173936362.db2.gz LCYOBECAPZPPJR-SECBINFHSA-N -1 1 266.255 1.283 20 0 CDADMM FC1(F)CCC[C@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001592628006 1173936370 /nfs/dbraw/zinc/93/63/70/1173936370.db2.gz LCYOBECAPZPPJR-SECBINFHSA-N -1 1 266.255 1.283 20 0 CDADMM Fc1cccc(OCCC2OCCO2)c1-c1nnn[n-]1 ZINC001592658027 1173958755 /nfs/dbraw/zinc/95/87/55/1173958755.db2.gz IEKIOOIPRWMWBG-UHFFFAOYSA-N -1 1 280.259 1.148 20 0 CDADMM Fc1cccc(OCCC2OCCO2)c1-c1nn[n-]n1 ZINC001592658027 1173958761 /nfs/dbraw/zinc/95/87/61/1173958761.db2.gz IEKIOOIPRWMWBG-UHFFFAOYSA-N -1 1 280.259 1.148 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001592754918 1173985671 /nfs/dbraw/zinc/98/56/71/1173985671.db2.gz WGDOZVUUPPCMPD-PSVAKVPMSA-N -1 1 287.327 1.112 20 0 CDADMM O=C(N[C@@H]1CCCSC1)c1csc(-c2nn[n-]n2)c1 ZINC001592983354 1174011648 /nfs/dbraw/zinc/01/16/48/1174011648.db2.gz SNNSCVYUMBHQLW-MRVPVSSYSA-N -1 1 295.393 1.554 20 0 CDADMM O=C(NCC1=CCCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593021397 1174011934 /nfs/dbraw/zinc/01/19/34/1174011934.db2.gz FKTDJPDAYCMHLA-UHFFFAOYSA-N -1 1 270.296 1.102 20 0 CDADMM O=C(NCC1=CCCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593021397 1174011938 /nfs/dbraw/zinc/01/19/38/1174011938.db2.gz FKTDJPDAYCMHLA-UHFFFAOYSA-N -1 1 270.296 1.102 20 0 CDADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@H]1CC=CCC1 ZINC001593148906 1174026841 /nfs/dbraw/zinc/02/68/41/1174026841.db2.gz FQUOCNZMVSVKNF-QMMMGPOBSA-N -1 1 290.352 1.296 20 0 CDADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@H]1CC=CCC1 ZINC001593148906 1174026845 /nfs/dbraw/zinc/02/68/45/1174026845.db2.gz FQUOCNZMVSVKNF-QMMMGPOBSA-N -1 1 290.352 1.296 20 0 CDADMM O=C(NCc1nccs1)c1ccsc1-c1nnn[n-]1 ZINC001593153867 1174027318 /nfs/dbraw/zinc/02/73/18/1174027318.db2.gz KFTBJHDSIVRTHN-UHFFFAOYSA-N -1 1 292.349 1.315 20 0 CDADMM O=C(NCc1nccs1)c1ccsc1-c1nn[n-]n1 ZINC001593153867 1174027325 /nfs/dbraw/zinc/02/73/25/1174027325.db2.gz KFTBJHDSIVRTHN-UHFFFAOYSA-N -1 1 292.349 1.315 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccoc1Cl ZINC001593199380 1174032876 /nfs/dbraw/zinc/03/28/76/1174032876.db2.gz LJMRSWSUAFTAMZ-UHFFFAOYSA-N -1 1 279.647 1.089 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccoc1Cl ZINC001593199380 1174032882 /nfs/dbraw/zinc/03/28/82/1174032882.db2.gz LJMRSWSUAFTAMZ-UHFFFAOYSA-N -1 1 279.647 1.089 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC[C@H](C2CC2)C1 ZINC001593243469 1174038429 /nfs/dbraw/zinc/03/84/29/1174038429.db2.gz MPMNNPDTYLDFHX-JTQLQIEISA-N -1 1 299.338 1.526 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC[C@H](C2CC2)C1 ZINC001593243469 1174038436 /nfs/dbraw/zinc/03/84/36/1174038436.db2.gz MPMNNPDTYLDFHX-JTQLQIEISA-N -1 1 299.338 1.526 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCCC2(CC2)C1 ZINC001593244167 1174040112 /nfs/dbraw/zinc/04/01/12/1174040112.db2.gz NEODCNYRAIGQSN-UHFFFAOYSA-N -1 1 299.338 1.670 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCCC2(CC2)C1 ZINC001593244167 1174040118 /nfs/dbraw/zinc/04/01/18/1174040118.db2.gz NEODCNYRAIGQSN-UHFFFAOYSA-N -1 1 299.338 1.670 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C1CCSCC1 ZINC001593244245 1174040356 /nfs/dbraw/zinc/04/03/56/1174040356.db2.gz VOIIDNDESBQRCX-UHFFFAOYSA-N -1 1 290.352 1.343 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C1CCSCC1 ZINC001593244245 1174040363 /nfs/dbraw/zinc/04/03/63/1174040363.db2.gz VOIIDNDESBQRCX-UHFFFAOYSA-N -1 1 290.352 1.343 20 0 CDADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1ccoc1 ZINC001593264269 1174042282 /nfs/dbraw/zinc/04/22/82/1174042282.db2.gz OBAQXVMUQKXOHZ-UHFFFAOYSA-N -1 1 296.699 1.822 20 0 CDADMM O=C(OC[C@H]1CCOC1)c1sccc1-c1nn[n-]n1 ZINC001593285227 1174051382 /nfs/dbraw/zinc/05/13/82/1174051382.db2.gz YSYQRMHHMGTOTQ-ZETCQYMHSA-N -1 1 280.309 1.122 20 0 CDADMM O=C(OC[C@@H]1C[C@@]12CCOC2)c1ccc(-c2nn[n-]n2)o1 ZINC001593285354 1174051552 /nfs/dbraw/zinc/05/15/52/1174051552.db2.gz TYVINLQJEVESFV-ISVAXAHUSA-N -1 1 290.279 1.043 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001593301098 1174059578 /nfs/dbraw/zinc/05/95/78/1174059578.db2.gz ARUPCBSZYJVBBD-URLYPYJESA-N -1 1 285.307 1.351 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001593301098 1174059583 /nfs/dbraw/zinc/05/95/83/1174059583.db2.gz ARUPCBSZYJVBBD-URLYPYJESA-N -1 1 285.307 1.351 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N(CC1CC1)C1CCC1 ZINC001593340167 1174068990 /nfs/dbraw/zinc/06/89/90/1174068990.db2.gz DMZDAZASYPSMMY-UHFFFAOYSA-N -1 1 287.323 1.864 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N(CC1CC1)C1CCC1 ZINC001593340167 1174068993 /nfs/dbraw/zinc/06/89/93/1174068993.db2.gz DMZDAZASYPSMMY-UHFFFAOYSA-N -1 1 287.323 1.864 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@H]1c1ncc[nH]1 ZINC001593367780 1174070336 /nfs/dbraw/zinc/07/03/36/1174070336.db2.gz PLBFIMKXTMZSBZ-VIFPVBQESA-N -1 1 299.294 1.160 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@H]1c1ncc[nH]1 ZINC001593367780 1174070341 /nfs/dbraw/zinc/07/03/41/1174070341.db2.gz PLBFIMKXTMZSBZ-VIFPVBQESA-N -1 1 299.294 1.160 20 0 CDADMM O=Cc1cccc(Oc2nnccc2-c2nnn[n-]2)c1 ZINC001593415888 1174077101 /nfs/dbraw/zinc/07/71/01/1174077101.db2.gz IEYPLJGZSREYRF-UHFFFAOYSA-N -1 1 268.236 1.262 20 0 CDADMM O=Cc1cccc(Oc2nnccc2-c2nn[n-]n2)c1 ZINC001593415888 1174077108 /nfs/dbraw/zinc/07/71/08/1174077108.db2.gz IEYPLJGZSREYRF-UHFFFAOYSA-N -1 1 268.236 1.262 20 0 CDADMM O=c1c(-c2nn[n-]n2)cn(CCF)c2ccc(Cl)cc12 ZINC001593494481 1174086265 /nfs/dbraw/zinc/08/62/65/1174086265.db2.gz HJWOVOUVUUSNJZ-UHFFFAOYSA-N -1 1 293.689 1.805 20 0 CDADMM c1cc(-c2nc(C[C@H]3CCCO3)no2)oc1-c1nn[n-]n1 ZINC001593544359 1174115571 /nfs/dbraw/zinc/11/55/71/1174115571.db2.gz CUZRJMALRBLIOI-SSDOTTSWSA-N -1 1 288.267 1.231 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CN1Cc2ccccc2CO1 ZINC001593579492 1174144789 /nfs/dbraw/zinc/14/47/89/1174144789.db2.gz HOFPMLLRJJSWPZ-UHFFFAOYSA-N -1 1 283.291 1.907 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1CN1Cc2ccccc2CO1 ZINC001593579492 1174144791 /nfs/dbraw/zinc/14/47/91/1174144791.db2.gz HOFPMLLRJJSWPZ-UHFFFAOYSA-N -1 1 283.291 1.907 20 0 CDADMM c1ccc2c(c1)CC[C@@H]2CNc1cnc(-c2nnn[n-]2)cn1 ZINC001593581643 1174146785 /nfs/dbraw/zinc/14/67/85/1174146785.db2.gz UAWTWXYTXOUDRU-LLVKDONJSA-N -1 1 293.334 1.799 20 0 CDADMM c1ccc2c(c1)CC[C@@H]2CNc1cnc(-c2nn[n-]n2)cn1 ZINC001593581643 1174146787 /nfs/dbraw/zinc/14/67/87/1174146787.db2.gz UAWTWXYTXOUDRU-LLVKDONJSA-N -1 1 293.334 1.799 20 0 CDADMM c1cncc([C@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)c1 ZINC001593588116 1174155178 /nfs/dbraw/zinc/15/51/78/1174155178.db2.gz VXULBVNFBXCSEA-CYBMUJFWSA-N -1 1 294.322 1.615 20 0 CDADMM c1cncc([C@H](Nc2cncc(-c3nn[n-]n3)n2)C2CC2)c1 ZINC001593588116 1174155179 /nfs/dbraw/zinc/15/51/79/1174155179.db2.gz VXULBVNFBXCSEA-CYBMUJFWSA-N -1 1 294.322 1.615 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(N[C@@H]2C[C@@H]3CCC[C@@H]23)n1 ZINC001593594303 1174162318 /nfs/dbraw/zinc/16/23/18/1174162318.db2.gz AKDKZPWTMCBKJS-QXFUBDJGSA-N -1 1 257.301 1.257 20 0 CDADMM Cc1cn[nH]c1CSCc1noc(CCC(=O)[O-])n1 ZINC001600061690 1174349892 /nfs/dbraw/zinc/34/98/92/1174349892.db2.gz DKEPEQPJLHHQFZ-UHFFFAOYSA-N -1 1 282.325 1.552 20 0 CDADMM Cc1cc(CN[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])cnc1Cl ZINC001600210442 1174411342 /nfs/dbraw/zinc/41/13/42/1174411342.db2.gz OMJBNYQBNCWIRX-IUCAKERBSA-N -1 1 299.758 1.111 20 0 CDADMM Cc1ccc(C)c(NC(=O)CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1 ZINC001600389017 1174461425 /nfs/dbraw/zinc/46/14/25/1174461425.db2.gz VCHLOPCXEHHQQK-JYAVWHMHSA-N -1 1 288.347 1.504 20 0 CDADMM Cc1ccc(C[N@@H+](CCC(=O)[O-])CC(=O)[O-])s1 ZINC001600410882 1174465402 /nfs/dbraw/zinc/46/54/02/1174465402.db2.gz PIMFGKWKXNIQLX-UHFFFAOYSA-N -1 1 257.311 1.418 20 0 CDADMM Cc1ccc2[nH]ncc2c1C(=O)O[C@H](C)C(=O)C(=O)[O-] ZINC001600490320 1174488540 /nfs/dbraw/zinc/48/85/40/1174488540.db2.gz OXBRTOSINDLFRW-SSDOTTSWSA-N -1 1 276.248 1.070 20 0 CDADMM Clc1ccccc1-c1noc(Cc2nnn[n-]2)n1 ZINC000095237963 1174519208 /nfs/dbraw/zinc/51/92/08/1174519208.db2.gz QANNLMHQUSLCAO-UHFFFAOYSA-N -1 1 262.660 1.494 20 0 CDADMM Clc1ccccc1-c1noc(Cc2nn[n-]n2)n1 ZINC000095237963 1174519212 /nfs/dbraw/zinc/51/92/12/1174519212.db2.gz QANNLMHQUSLCAO-UHFFFAOYSA-N -1 1 262.660 1.494 20 0 CDADMM Cc1ccn2cc(CNCc3cc(C(=O)[O-])n(C)c3)nc2c1 ZINC001600596629 1174519668 /nfs/dbraw/zinc/51/96/68/1174519668.db2.gz XNNDCTOMMOMCGE-UHFFFAOYSA-N -1 1 298.346 1.969 20 0 CDADMM Cc1cnn([C@H]2CCN(Cc3cccc(C(=O)[O-])n3)C2)c1 ZINC001600637377 1174545621 /nfs/dbraw/zinc/54/56/21/1174545621.db2.gz ROWBVSANYBFNJH-ZDUSSCGKSA-N -1 1 286.335 1.732 20 0 CDADMM Cc1nonc1CNC1CCC(CC(=O)[O-])CC1 ZINC001600818632 1174628489 /nfs/dbraw/zinc/62/84/89/1174628489.db2.gz LNZFJJOIBJDPNG-UHFFFAOYSA-N -1 1 253.302 1.501 20 0 CDADMM Cc1oncc1C[N@@H+]1[C@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001600863951 1174648032 /nfs/dbraw/zinc/64/80/32/1174648032.db2.gz WZOBINIBLVQPPZ-ZJNJWXDTSA-N -1 1 280.324 1.578 20 0 CDADMM Cc1oncc1CN1[C@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001600863951 1174648036 /nfs/dbraw/zinc/64/80/36/1174648036.db2.gz WZOBINIBLVQPPZ-ZJNJWXDTSA-N -1 1 280.324 1.578 20 0 CDADMM Cn1cccc1C(=O)CN1CCC[C@H]1CC(=O)[O-] ZINC001600978446 1174689868 /nfs/dbraw/zinc/68/98/68/1174689868.db2.gz CCGLJEBJDLWPBL-JTQLQIEISA-N -1 1 250.298 1.147 20 0 CDADMM Nc1ccnc(CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001601219023 1174795099 /nfs/dbraw/zinc/79/50/99/1174795099.db2.gz UNPNOLBPDZQBON-VHSXEESVSA-N -1 1 277.324 1.171 20 0 CDADMM Nc1nc2c(c(N3CCC[C@@H]3CC(=O)[O-])n1)CCCC2 ZINC001601219564 1174795367 /nfs/dbraw/zinc/79/53/67/1174795367.db2.gz FCJRYVLWFRKPSU-SECBINFHSA-N -1 1 276.340 1.381 20 0 CDADMM Nc1ccncc1C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001601218913 1174795628 /nfs/dbraw/zinc/79/56/28/1174795628.db2.gz RJTJOCBKTWYWDP-NSHDSACASA-N -1 1 291.351 1.505 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2nc(-c3ccco3)n[nH]2)c[nH]1 ZINC001601633773 1174919084 /nfs/dbraw/zinc/91/90/84/1174919084.db2.gz QXJZBUVZURDRSS-UHFFFAOYSA-N -1 1 287.235 1.343 20 0 CDADMM O=C([O-])CC(=O)Nc1nc(-c2ccc3ccccc3n2)n[nH]1 ZINC001601888501 1175054059 /nfs/dbraw/zinc/05/40/59/1175054059.db2.gz BSTPOKRHAJZERE-UHFFFAOYSA-N -1 1 297.274 1.433 20 0 CDADMM O=C([O-])C[C@@]1(NC(=O)c2cccc(F)c2O)CCCOC1 ZINC001601931297 1175070869 /nfs/dbraw/zinc/07/08/69/1175070869.db2.gz BYNZVAYVMVDELY-AWEZNQCLSA-N -1 1 297.282 1.285 20 0 CDADMM O=C([O-])C[C@H]1CN(CCc2ccc(F)cc2)CCO1 ZINC001601961550 1175089109 /nfs/dbraw/zinc/08/91/09/1175089109.db2.gz PEUCISHLKXKSQZ-ZDUSSCGKSA-N -1 1 267.300 1.544 20 0 CDADMM O=C([O-])CCc1ccccc1C(=O)NC12CCN(CC1)C2 ZINC001602044789 1175117221 /nfs/dbraw/zinc/11/72/21/1175117221.db2.gz UVWJEPVFJSHRTE-UHFFFAOYSA-N -1 1 288.347 1.282 20 0 CDADMM O=C([O-])[C@@H]1CN(Cc2ncc[nH]2)C[C@@H]1c1ccccc1 ZINC001602190247 1175156498 /nfs/dbraw/zinc/15/64/98/1175156498.db2.gz JUAIWVGMBYPIFS-CHWSQXEVSA-N -1 1 271.320 1.710 20 0 CDADMM O=C([O-])[C@@H]1CN(Cc2nncs2)C[C@@H]1c1ccccc1 ZINC001602190510 1175156831 /nfs/dbraw/zinc/15/68/31/1175156831.db2.gz UUGLBQJFJJTZEL-VXGBXAGGSA-N -1 1 289.360 1.838 20 0 CDADMM O=C([O-])[C@H]1CCCCN1CC[S@@](=O)C(F)(F)F ZINC001602211833 1175168161 /nfs/dbraw/zinc/16/81/61/1175168161.db2.gz PWGJQZQASNSFLR-IWEMQMMOSA-N -1 1 273.276 1.194 20 0 CDADMM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1ncccn1 ZINC001602230965 1175175331 /nfs/dbraw/zinc/17/53/31/1175175331.db2.gz KEIBACJAXJLPSS-UHFFFAOYSA-N -1 1 297.267 1.115 20 0 CDADMM O=C([O-])c1ccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)o1 ZINC001602325769 1175205555 /nfs/dbraw/zinc/20/55/55/1175205555.db2.gz RWALNEBMTUBDGD-UHFFFAOYSA-N -1 1 289.169 1.972 20 0 CDADMM O=C([O-])c1ccc(CN2CC3(C2)CCOCC3)nc1 ZINC001602336296 1175210697 /nfs/dbraw/zinc/21/06/97/1175210697.db2.gz QXFWTZCULPNVDZ-UHFFFAOYSA-N -1 1 262.309 1.392 20 0 CDADMM O=C([O-])c1cccc(Cc2nc([C@H]3CCCN3)no2)c1 ZINC001602442054 1175241923 /nfs/dbraw/zinc/24/19/23/1175241923.db2.gz WYHQRAOAXJTOSY-LLVKDONJSA-N -1 1 273.292 1.783 20 0 CDADMM O=C([O-])c1ccnc(SCSc2c[nH]nn2)n1 ZINC001602486726 1175259934 /nfs/dbraw/zinc/25/99/34/1175259934.db2.gz OPDCAXPTEHAETM-UHFFFAOYSA-N -1 1 269.311 1.135 20 0 CDADMM O=C([O-])c1occc1CNCc1ccc(-n2ccnc2)nc1 ZINC001602591151 1175312309 /nfs/dbraw/zinc/31/23/09/1175312309.db2.gz UIFNXFSBLUIXEF-UHFFFAOYSA-N -1 1 298.302 1.848 20 0 CDADMM C/C(=C/CN1CCO[C@@]2(CCSC2)C1)C(=O)[O-] ZINC001602965277 1175464912 /nfs/dbraw/zinc/46/49/12/1175464912.db2.gz WIFCARJWIMQNEZ-RYWPHHQMSA-N -1 1 257.355 1.225 20 0 CDADMM CC(C)(C)C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001603056575 1175482683 /nfs/dbraw/zinc/48/26/83/1175482683.db2.gz ADOORWQZLWDPFP-UHFFFAOYSA-N -1 1 286.339 1.587 20 0 CDADMM CC(C)(C)C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001603056575 1175482685 /nfs/dbraw/zinc/48/26/85/1175482685.db2.gz ADOORWQZLWDPFP-UHFFFAOYSA-N -1 1 286.339 1.587 20 0 CDADMM C[C@H](C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)C1CC1 ZINC001603146267 1175500021 /nfs/dbraw/zinc/50/00/21/1175500021.db2.gz NXKAUBREJCBMSS-QWRGUYRKSA-N -1 1 268.357 1.040 20 0 CDADMM CC(C)=CCCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603186287 1175510775 /nfs/dbraw/zinc/51/07/75/1175510775.db2.gz KGYPALJFFJPORV-UHFFFAOYSA-N -1 1 261.285 1.546 20 0 CDADMM CC(C)=CCCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603186287 1175510779 /nfs/dbraw/zinc/51/07/79/1175510779.db2.gz KGYPALJFFJPORV-UHFFFAOYSA-N -1 1 261.285 1.546 20 0 CDADMM CC(C)[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001603231117 1175522170 /nfs/dbraw/zinc/52/21/70/1175522170.db2.gz LFDCPBSDYXXIEX-NSHDSACASA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001603231117 1175522174 /nfs/dbraw/zinc/52/21/74/1175522174.db2.gz LFDCPBSDYXXIEX-NSHDSACASA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cnccc2N)C1 ZINC001603253281 1175525476 /nfs/dbraw/zinc/52/54/76/1175525476.db2.gz NQEJEMSZSMGBIM-SNVBAGLBSA-N -1 1 291.351 1.457 20 0 CDADMM CC(C)CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001603297961 1175534427 /nfs/dbraw/zinc/53/44/27/1175534427.db2.gz KUEKUIFCSYWJSG-UHFFFAOYSA-N -1 1 281.266 1.531 20 0 CDADMM CC(C)CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001603297961 1175534431 /nfs/dbraw/zinc/53/44/31/1175534431.db2.gz KUEKUIFCSYWJSG-UHFFFAOYSA-N -1 1 281.266 1.531 20 0 CDADMM 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/nfs/dbraw/zinc/52/85/45/1173528545.db2.gz COCUOULVHRJRBX-UHFFFAOYSA-N -1 1 296.327 1.916 20 0 CDADMM CCSCCOC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590852970 1173528554 /nfs/dbraw/zinc/52/85/54/1173528554.db2.gz COCUOULVHRJRBX-UHFFFAOYSA-N -1 1 296.327 1.916 20 0 CDADMM Cc1cc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)n[nH]1 ZINC000087611536 301126287 /nfs/dbraw/zinc/12/62/87/301126287.db2.gz VIGCDAJDGOHVDL-GFCCVEGCSA-N -1 1 285.303 1.542 20 0 CDADMM Cc1onc(N)c1S(=O)(=O)[N-]C1(C)CCCCC1 ZINC000289631150 302878238 /nfs/dbraw/zinc/87/82/38/302878238.db2.gz YQKNZFONHSGSTH-UHFFFAOYSA-N -1 1 273.358 1.566 20 0 CDADMM CN(C[C@@H]1CC=CCC1)c1cc(-c2nn[n-]n2)ncn1 ZINC001591054216 1173568889 /nfs/dbraw/zinc/56/88/89/1173568889.db2.gz AIQHBVSWBTUBJE-SNVBAGLBSA-N -1 1 271.328 1.449 20 0 CDADMM CO[C@@]1(CNc2cccnc2-c2nnn[n-]2)CCSC1 ZINC001591342606 1173619857 /nfs/dbraw/zinc/61/98/57/1173619857.db2.gz HMZZEOBTTGSBSK-GFCCVEGCSA-N -1 1 292.368 1.196 20 0 CDADMM CO[C@@]1(CNc2cccnc2-c2nn[n-]n2)CCSC1 ZINC001591342606 1173619860 /nfs/dbraw/zinc/61/98/60/1173619860.db2.gz HMZZEOBTTGSBSK-GFCCVEGCSA-N -1 1 292.368 1.196 20 0 CDADMM COC[C@@H](CCNc1nc(-c2nn[n-]n2)ccc1C)OC ZINC001591376624 1173637648 /nfs/dbraw/zinc/63/76/48/1173637648.db2.gz VKYYEVRPAPTHID-SNVBAGLBSA-N -1 1 292.343 1.034 20 0 CDADMM COCC[C@H](C)CNc1nc(-c2nn[n-]n2)ccc1C ZINC001591398791 1173644801 /nfs/dbraw/zinc/64/48/01/1173644801.db2.gz JIFBPCTWCGDLAH-VIFPVBQESA-N -1 1 276.344 1.655 20 0 CDADMM COC[C@H]1CCN(c2nc(-c3nn[n-]n3)ccc2C)C1 ZINC001591394273 1173644818 /nfs/dbraw/zinc/64/48/18/1173644818.db2.gz QEKWUCVZVPUKEI-JTQLQIEISA-N -1 1 274.328 1.043 20 0 CDADMM COCCCN(C)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001591413614 1173649678 /nfs/dbraw/zinc/64/96/78/1173649678.db2.gz VQQWVPLKSOCLDJ-UHFFFAOYSA-N -1 1 281.341 1.037 20 0 CDADMM COCCCN(C)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001591413614 1173649682 /nfs/dbraw/zinc/64/96/82/1173649682.db2.gz VQQWVPLKSOCLDJ-UHFFFAOYSA-N -1 1 281.341 1.037 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ncc[nH]1 ZINC001591729328 1173691456 /nfs/dbraw/zinc/69/14/56/1173691456.db2.gz GLDLQYKLVBNAMJ-ZCFIWIBFSA-N -1 1 289.324 1.142 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCC2CC(C)(C)C2)n1 ZINC001591895206 1173741052 /nfs/dbraw/zinc/74/10/52/1173741052.db2.gz YCPBQZVXSWDQMJ-UHFFFAOYSA-N -1 1 273.344 1.813 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCC2CC(C)(C)C2)n1 ZINC001591895206 1173741057 /nfs/dbraw/zinc/74/10/57/1173741057.db2.gz YCPBQZVXSWDQMJ-UHFFFAOYSA-N -1 1 273.344 1.813 20 0 CDADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@H]3CCOC3)no2)c1 ZINC000350575803 316180478 /nfs/dbraw/zinc/18/04/78/316180478.db2.gz RYOXVSLYJFBHBM-VIFPVBQESA-N -1 1 289.291 1.905 20 0 CDADMM Cn1c(=O)cccc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000350816584 316207199 /nfs/dbraw/zinc/20/71/99/316207199.db2.gz JAABUNRFLXEJEF-UHFFFAOYSA-N -1 1 287.250 1.947 20 0 CDADMM C[C@@H](CN(C)C(=O)[C@@H](C)C1CCC1)c1nn[n-]n1 ZINC000563686553 316355709 /nfs/dbraw/zinc/35/57/09/316355709.db2.gz ANNKJJPJIVBRMB-IUCAKERBSA-N -1 1 251.334 1.198 20 0 CDADMM CO[C@H]1C[C@H](C(=O)[O-])N(Cc2ccc(C)c(C)c2)C1 ZINC000563721176 316361980 /nfs/dbraw/zinc/36/19/80/316361980.db2.gz DSOWKPLDDLJTEI-UONOGXRCSA-N -1 1 263.337 1.977 20 0 CDADMM COc1c(C)cc(S(=O)(=O)[N-]c2cnc[nH]2)cc1C ZINC000563757828 316366386 /nfs/dbraw/zinc/36/63/86/316366386.db2.gz UKHSEVDTZDJETP-UHFFFAOYSA-N -1 1 281.337 1.836 20 0 CDADMM Cc1cc(CSc2cccnc2-c2nnn[n-]2)nn1C ZINC001591972450 1173762657 /nfs/dbraw/zinc/76/26/57/1173762657.db2.gz HRJPKOUCOIDQKB-UHFFFAOYSA-N -1 1 287.352 1.596 20 0 CDADMM Cc1cc(CSc2cccnc2-c2nn[n-]n2)nn1C ZINC001591972450 1173762661 /nfs/dbraw/zinc/76/26/61/1173762661.db2.gz HRJPKOUCOIDQKB-UHFFFAOYSA-N -1 1 287.352 1.596 20 0 CDADMM Cc1ccc(N[C@H](CO)CCC(C)C)nc1-c1nnn[n-]1 ZINC001592183828 1173827978 /nfs/dbraw/zinc/82/79/78/1173827978.db2.gz KJSVAFXYMHFZDP-NSHDSACASA-N -1 1 290.371 1.779 20 0 CDADMM Cc1ccc(N[C@H](CO)CCC(C)C)nc1-c1nn[n-]n1 ZINC001592183828 1173827979 /nfs/dbraw/zinc/82/79/79/1173827979.db2.gz KJSVAFXYMHFZDP-NSHDSACASA-N -1 1 290.371 1.779 20 0 CDADMM COC(=O)c1sccc1[N-]C(=O)c1cc(OC)no1 ZINC000183398968 323334294 /nfs/dbraw/zinc/33/42/94/323334294.db2.gz ZUXHHCIRKPWQBF-UHFFFAOYSA-N -1 1 282.277 1.784 20 0 CDADMM Cc1nnsc1C[N-]S(=O)(=O)c1ccccc1F ZINC000384142980 323677026 /nfs/dbraw/zinc/67/70/26/323677026.db2.gz NXUQVUKFPLXDSC-UHFFFAOYSA-N -1 1 287.341 1.464 20 0 CDADMM CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)[C@H](C)O ZINC000386887881 323752954 /nfs/dbraw/zinc/75/29/54/323752954.db2.gz NCXDEMPLOSNUDY-XVKPBYJWSA-N -1 1 279.308 1.403 20 0 CDADMM O=C([O-])c1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)c1 ZINC000578365743 323912915 /nfs/dbraw/zinc/91/29/15/323912915.db2.gz APGJZNHMCBAIEW-BETUJISGSA-N -1 1 274.320 1.351 20 0 CDADMM COCC[C@H](c1ccccc1)N1CCO[C@H](CC(=O)[O-])C1 ZINC000578875724 324045641 /nfs/dbraw/zinc/04/56/41/324045641.db2.gz WPZQHTLJMHLTIH-HUUCEWRRSA-N -1 1 293.363 1.940 20 0 CDADMM Cc1nc(SC[C@H]2CCCNC2=O)[n-]c(=O)c1C ZINC000582228273 324933334 /nfs/dbraw/zinc/93/33/34/324933334.db2.gz XYCUMJHJEHBBDW-SECBINFHSA-N -1 1 267.354 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COc1ccc(C)cc1[C@@H](C)NCC(=O)NCCC(=O)[O-] ZINC000737976025 574433054 /nfs/dbraw/zinc/43/30/54/574433054.db2.gz NIDNWNUCCBSOJU-LLVKDONJSA-N -1 1 294.351 1.245 20 0 CDADMM O=C(Nc1nc(Br)ccc1[O-])C1=CCOCC1 ZINC000194319949 679849538 /nfs/dbraw/zinc/84/95/38/679849538.db2.gz GUPXSLTWOMHGSF-UHFFFAOYSA-N -1 1 299.124 1.835 20 0 CDADMM Cn1ccnc1CNC(=O)c1c([O-])cccc1Cl ZINC000728611124 574639361 /nfs/dbraw/zinc/63/93/61/574639361.db2.gz WRILALUJBSPBMF-UHFFFAOYSA-N -1 1 265.700 1.709 20 0 CDADMM O=C([O-])[C@H]1CCC[C@H]1NC(=O)c1[nH]nc2c1CCCCC2 ZINC001601441224 1174872170 /nfs/dbraw/zinc/87/21/70/1174872170.db2.gz XEZIJNLZGODNDP-WDEREUQCSA-N -1 1 291.351 1.662 20 0 CDADMM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)CN(C)C)cc1 ZINC000738202061 574856342 /nfs/dbraw/zinc/85/63/42/574856342.db2.gz WMCVGZQBKNFLCG-GFCCVEGCSA-N -1 1 296.392 1.602 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)c1ccn(C)n1 ZINC000774181548 575187347 /nfs/dbraw/zinc/18/73/47/575187347.db2.gz FXJCAQACTYDESV-UHFFFAOYSA-N -1 1 289.339 1.624 20 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C[C@@H](Cc1ccccc1F)Nc1nccnc1-c1nnn[n-]1 ZINC000736065250 575559226 /nfs/dbraw/zinc/55/92/26/575559226.db2.gz BNKUMLAMOWSVLO-VIFPVBQESA-N -1 1 299.313 1.839 20 0 CDADMM C[C@@H](Cc1ccccc1F)Nc1nccnc1-c1nn[n-]n1 ZINC000736065250 575559228 /nfs/dbraw/zinc/55/92/28/575559228.db2.gz BNKUMLAMOWSVLO-VIFPVBQESA-N -1 1 299.313 1.839 20 0 CDADMM CC(=O)NC1CCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000736147465 575578593 /nfs/dbraw/zinc/57/85/93/575578593.db2.gz AZYWDCYUEWLUCT-UHFFFAOYSA-N -1 1 294.326 1.624 20 0 CDADMM C[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736266869 575608462 /nfs/dbraw/zinc/60/84/62/575608462.db2.gz KRZRCTUXZJCFAO-SECBINFHSA-N -1 1 272.312 1.276 20 0 CDADMM C[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736266869 575608465 /nfs/dbraw/zinc/60/84/65/575608465.db2.gz KRZRCTUXZJCFAO-SECBINFHSA-N -1 1 272.312 1.276 20 0 CDADMM CC(C)[C@H](C(=O)Nc1nc(CC(=O)[O-])cs1)N(C)C ZINC000736349465 575634056 /nfs/dbraw/zinc/63/40/56/575634056.db2.gz LLBIOJZPHXBXDH-SNVBAGLBSA-N -1 1 285.369 1.295 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SRGFSJDATYXCNX-UHFFFAOYSA-N -1 1 275.308 1.218 20 0 CDADMM CCN1C[C@@H](C)N(C(=O)NCC(C)(C)C(=O)[O-])C[C@H]1C ZINC000833658753 605123979 /nfs/dbraw/zinc/12/39/79/605123979.db2.gz VARYLVBMFHEKTR-GHMZBOCLSA-N -1 1 285.388 1.221 20 0 CDADMM O=C(OC1CCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823393425 606180625 /nfs/dbraw/zinc/18/06/25/606180625.db2.gz XQEDUSBRFNNNNV-UHFFFAOYSA-N -1 1 250.283 1.638 20 0 CDADMM O=C(OC1CCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823393425 606180627 /nfs/dbraw/zinc/18/06/27/606180627.db2.gz XQEDUSBRFNNNNV-UHFFFAOYSA-N -1 1 250.283 1.638 20 0 CDADMM CC(C)CC(=O)COC(=O)c1sccc1-c1nn[n-]n1 ZINC000820051550 606372525 /nfs/dbraw/zinc/37/25/25/606372525.db2.gz QRCQCFROQHNQQR-UHFFFAOYSA-N -1 1 294.336 1.700 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C[C@@H]1C ZINC000820743086 606418960 /nfs/dbraw/zinc/41/89/60/606418960.db2.gz QEGNVQAEDFVHBD-YUMQZZPRSA-N -1 1 277.353 1.656 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C[C@@H]1C ZINC000820743086 606418963 /nfs/dbraw/zinc/41/89/63/606418963.db2.gz QEGNVQAEDFVHBD-YUMQZZPRSA-N -1 1 277.353 1.656 20 0 CDADMM CC1(CNC(=O)c2ccc(-c3nnn[n-]3)s2)CCC1 ZINC000820619020 606449779 /nfs/dbraw/zinc/44/97/79/606449779.db2.gz WBCVQBCRIHMDCS-UHFFFAOYSA-N -1 1 277.353 1.848 20 0 CDADMM CC1(CNC(=O)c2ccc(-c3nn[n-]n3)s2)CCC1 ZINC000820619020 606449781 /nfs/dbraw/zinc/44/97/81/606449781.db2.gz WBCVQBCRIHMDCS-UHFFFAOYSA-N -1 1 277.353 1.848 20 0 CDADMM C[C@@H](C1CC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820219052 606509309 /nfs/dbraw/zinc/50/93/09/606509309.db2.gz BRTUZRJTCAKAAO-ZETCQYMHSA-N -1 1 277.353 1.799 20 0 CDADMM C[C@@H](C1CC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820219052 606509311 /nfs/dbraw/zinc/50/93/11/606509311.db2.gz BRTUZRJTCAKAAO-ZETCQYMHSA-N -1 1 277.353 1.799 20 0 CDADMM CC[C@@H](O)CCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820931718 606578751 /nfs/dbraw/zinc/57/87/51/606578751.db2.gz IGJJISCIHJCRER-MRVPVSSYSA-N -1 1 295.368 1.209 20 0 CDADMM CC[C@@H](O)CCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820931718 606578752 /nfs/dbraw/zinc/57/87/52/606578752.db2.gz IGJJISCIHJCRER-MRVPVSSYSA-N -1 1 295.368 1.209 20 0 CDADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)n[nH]1 ZINC000822209767 606591567 /nfs/dbraw/zinc/59/15/67/606591567.db2.gz VZIOMHAITGMLGA-UHFFFAOYSA-N -1 1 275.297 1.212 20 0 CDADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)n[nH]1 ZINC000822209767 606591569 /nfs/dbraw/zinc/59/15/69/606591569.db2.gz VZIOMHAITGMLGA-UHFFFAOYSA-N -1 1 275.297 1.212 20 0 CDADMM CCC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000821040572 606875437 /nfs/dbraw/zinc/87/54/37/606875437.db2.gz NHTRUXLDPWFLDT-SNVBAGLBSA-N -1 1 273.344 1.673 20 0 CDADMM CCC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000821040572 606875438 /nfs/dbraw/zinc/87/54/38/606875438.db2.gz NHTRUXLDPWFLDT-SNVBAGLBSA-N -1 1 273.344 1.673 20 0 CDADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC000824999169 607900674 /nfs/dbraw/zinc/90/06/74/607900674.db2.gz DEMQSDFDCZHFIG-VIFPVBQESA-N -1 1 258.329 1.887 20 0 CDADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC000824999169 607900675 /nfs/dbraw/zinc/90/06/75/607900675.db2.gz DEMQSDFDCZHFIG-VIFPVBQESA-N -1 1 258.329 1.887 20 0 CDADMM CC1=CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000824852339 607911395 /nfs/dbraw/zinc/91/13/95/607911395.db2.gz LKTUALLEZDYCQD-UHFFFAOYSA-N -1 1 275.337 1.720 20 0 CDADMM CC1=CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000824852339 607911396 /nfs/dbraw/zinc/91/13/96/607911396.db2.gz LKTUALLEZDYCQD-UHFFFAOYSA-N -1 1 275.337 1.720 20 0 CDADMM Cc1ccccc1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000826306662 607987816 /nfs/dbraw/zinc/98/78/16/607987816.db2.gz HHGHDSWXYPUULQ-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1ccccc1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000826306662 607987817 /nfs/dbraw/zinc/98/78/17/607987817.db2.gz HHGHDSWXYPUULQ-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc[nH]1 ZINC000824515499 608026135 /nfs/dbraw/zinc/02/61/35/608026135.db2.gz SMNIRRVZCKLQPU-SSDOTTSWSA-N -1 1 288.336 1.747 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc[nH]1 ZINC000824515499 608026136 /nfs/dbraw/zinc/02/61/36/608026136.db2.gz SMNIRRVZCKLQPU-SSDOTTSWSA-N -1 1 288.336 1.747 20 0 CDADMM c1cn(Cc2nnc(-c3ccccc3)o2)c(-c2nnn[n-]2)n1 ZINC000826519023 608147775 /nfs/dbraw/zinc/14/77/75/608147775.db2.gz HBEMODIDVHBKTD-UHFFFAOYSA-N -1 1 294.278 1.162 20 0 CDADMM c1cn(Cc2nnc(-c3ccccc3)o2)c(-c2nn[n-]n2)n1 ZINC000826519023 608147776 /nfs/dbraw/zinc/14/77/76/608147776.db2.gz HBEMODIDVHBKTD-UHFFFAOYSA-N -1 1 294.278 1.162 20 0 CDADMM c1ccc(OCCCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826522972 608393777 /nfs/dbraw/zinc/39/37/77/608393777.db2.gz VPLJLIXZYZSJGR-UHFFFAOYSA-N -1 1 297.322 1.538 20 0 CDADMM c1ccc(OCCCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826522972 608393779 /nfs/dbraw/zinc/39/37/79/608393779.db2.gz VPLJLIXZYZSJGR-UHFFFAOYSA-N -1 1 297.322 1.538 20 0 CDADMM C[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)c2ccccc21 ZINC000824992090 608400161 /nfs/dbraw/zinc/40/01/61/608400161.db2.gz JWJQSYGCOVDVKX-VIFPVBQESA-N -1 1 279.307 1.912 20 0 CDADMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)c2ccccc21 ZINC000824992090 608400162 /nfs/dbraw/zinc/40/01/62/608400162.db2.gz JWJQSYGCOVDVKX-VIFPVBQESA-N -1 1 279.307 1.912 20 0 CDADMM C[C@@]1(c2ccccc2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824843187 608423976 /nfs/dbraw/zinc/42/39/76/608423976.db2.gz BIYRBFFZRMENKE-WFASDCNBSA-N -1 1 293.334 1.799 20 0 CDADMM C[C@@]1(c2ccccc2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824843187 608423978 /nfs/dbraw/zinc/42/39/78/608423978.db2.gz BIYRBFFZRMENKE-WFASDCNBSA-N -1 1 293.334 1.799 20 0 CDADMM CSC[C@@H](CCO)Nc1nc(-c2nn[n-]n2)ccc1C ZINC000826228416 608546309 /nfs/dbraw/zinc/54/63/09/608546309.db2.gz NXAYLWDNOARNIJ-SECBINFHSA-N -1 1 294.384 1.096 20 0 CDADMM CC1(C)CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC000824801994 608556307 /nfs/dbraw/zinc/55/63/07/608556307.db2.gz JDEIMLHPAIBBGD-QMMMGPOBSA-N -1 1 259.317 1.647 20 0 CDADMM CC1(C)CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC000824801994 608556309 /nfs/dbraw/zinc/55/63/09/608556309.db2.gz JDEIMLHPAIBBGD-QMMMGPOBSA-N -1 1 259.317 1.647 20 0 CDADMM CN(Cc1ccon1)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825986318 608717021 /nfs/dbraw/zinc/71/70/21/608717021.db2.gz YQMFPYRVUWGKEN-UHFFFAOYSA-N -1 1 260.257 1.080 20 0 CDADMM CN(Cc1ccon1)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825986318 608717023 /nfs/dbraw/zinc/71/70/23/608717023.db2.gz YQMFPYRVUWGKEN-UHFFFAOYSA-N -1 1 260.257 1.080 20 0 CDADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC000826232964 609167600 /nfs/dbraw/zinc/16/76/00/609167600.db2.gz OITQKNZREJQWIH-OCAPTIKFSA-N -1 1 294.746 1.529 20 0 CDADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC000826232964 609167601 /nfs/dbraw/zinc/16/76/01/609167601.db2.gz OITQKNZREJQWIH-OCAPTIKFSA-N -1 1 294.746 1.529 20 0 CDADMM CCc1cnccc1CNc1nccnc1-c1nnn[n-]1 ZINC000825739186 609433398 /nfs/dbraw/zinc/43/33/98/609433398.db2.gz BCLKODVRXKKFAZ-UHFFFAOYSA-N -1 1 282.311 1.226 20 0 CDADMM CCc1cnccc1CNc1nccnc1-c1nn[n-]n1 ZINC000825739186 609433399 /nfs/dbraw/zinc/43/33/99/609433399.db2.gz BCLKODVRXKKFAZ-UHFFFAOYSA-N -1 1 282.311 1.226 20 0 CDADMM C[C@H](O)[C@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000824690217 609569283 /nfs/dbraw/zinc/56/92/83/609569283.db2.gz QXNABOZDQNKCFT-YUMQZZPRSA-N -1 1 294.746 1.122 20 0 CDADMM C[C@H](O)[C@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000824690217 609569285 /nfs/dbraw/zinc/56/92/85/609569285.db2.gz QXNABOZDQNKCFT-YUMQZZPRSA-N -1 1 294.746 1.122 20 0 CDADMM CC(=O)N(C)C[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000966564065 613704580 /nfs/dbraw/zinc/70/45/80/613704580.db2.gz NSMCFMXVQAJDFN-LBPRGKRZSA-N -1 1 291.351 1.118 20 0 CDADMM CC(C)([N-]S(=O)(=O)c1ccc(F)nc1F)C1CC1 ZINC000866868291 617443504 /nfs/dbraw/zinc/44/35/04/617443504.db2.gz LVHYGLDMNJWEKJ-UHFFFAOYSA-N -1 1 276.308 1.827 20 0 CDADMM C/C=C/C[C@H](CO)Nc1cc(=O)[n-]c(COC)n1 ZINC000893240458 617482814 /nfs/dbraw/zinc/48/28/14/617482814.db2.gz WZHHOYQUYOWSGP-CDAZIORVSA-N -1 1 253.302 1.068 20 0 CDADMM COCc1nc(N2CCC[C@H](OCC3CC3)C2)cc(=O)[n-]1 ZINC000893258196 617497430 /nfs/dbraw/zinc/49/74/30/617497430.db2.gz FUYDBHYRSPQICW-LBPRGKRZSA-N -1 1 293.367 1.724 20 0 CDADMM COCc1nc(NCCn2cnc3ccccc32)cc(=O)[n-]1 ZINC000892123671 617493088 /nfs/dbraw/zinc/49/30/88/617493088.db2.gz YWBNZHNOCMYOJG-UHFFFAOYSA-N -1 1 299.334 1.790 20 0 CDADMM CCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@@H](C)C1 ZINC000945072642 614731220 /nfs/dbraw/zinc/73/12/20/614731220.db2.gz ITPSOTNEJDAWLL-QWRGUYRKSA-N -1 1 291.351 1.164 20 0 CDADMM COC[C@@H](C)CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891621102 617508853 /nfs/dbraw/zinc/50/88/53/617508853.db2.gz FTBNXBULTBLSNY-VIFPVBQESA-N -1 1 279.340 1.672 20 0 CDADMM CN(C(=O)[C@@H]1CCc2c1cccc2Cl)c1nn[n-]n1 ZINC000892955300 617973243 /nfs/dbraw/zinc/97/32/43/617973243.db2.gz ZEBMJHMNOXQDJY-SECBINFHSA-N -1 1 277.715 1.546 20 0 CDADMM COC(=O)C[C@H](NC(=O)c1c(F)ccc([O-])c1F)C1CC1 ZINC000934412206 617589549 /nfs/dbraw/zinc/58/95/49/617589549.db2.gz IRNXZKZDMJTXIV-VIFPVBQESA-N -1 1 299.273 1.742 20 0 CDADMM CCCCC[C@@H](NC(=O)Cc1cnc[nH]1)C(=O)[O-] ZINC000909342472 617805542 /nfs/dbraw/zinc/80/55/42/617805542.db2.gz NBMZHQIVRFRCJT-SNVBAGLBSA-N -1 1 253.302 1.102 20 0 CDADMM CC[C@H]1CN(c2cc(=O)[n-]c(COC)n2)CCCO1 ZINC000893675226 617828734 /nfs/dbraw/zinc/82/87/34/617828734.db2.gz QEZRKGUQWMQDRB-JTQLQIEISA-N -1 1 267.329 1.334 20 0 CDADMM COCc1nc(N[C@@H](C)C2CCOCC2)cc(=O)[n-]1 ZINC000892929088 617914854 /nfs/dbraw/zinc/91/48/54/617914854.db2.gz SJRMMZFEIRPJRZ-VIFPVBQESA-N -1 1 267.329 1.556 20 0 CDADMM CCC(CC)(CNC(=O)[C@@H]1CCCN1C)C(=O)[O-] ZINC000909381483 618037291 /nfs/dbraw/zinc/03/72/91/618037291.db2.gz AXLQUMFYIWFSMI-JTQLQIEISA-N -1 1 256.346 1.088 20 0 CDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](C)C(F)F ZINC000894050908 618305959 /nfs/dbraw/zinc/30/59/59/618305959.db2.gz XSQLQXXUFXFRFL-SSDOTTSWSA-N -1 1 298.293 1.364 20 0 CDADMM CCN(CC)CC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910734018 618454172 /nfs/dbraw/zinc/45/41/72/618454172.db2.gz MKOJGMNJUBYIFU-UHFFFAOYSA-N -1 1 297.380 1.999 20 0 CDADMM O=C([O-])C[C@@H]1CCCN1Cc1cn2cccc(F)c2n1 ZINC000902007984 618485895 /nfs/dbraw/zinc/48/58/95/618485895.db2.gz QVTBBEZBCPRWHB-NSHDSACASA-N -1 1 277.299 1.913 20 0 CDADMM Cc1cccc(OCCn2cccc(-c3nn[n-]n3)c2=O)c1 ZINC000822328827 618542066 /nfs/dbraw/zinc/54/20/66/618542066.db2.gz USUJPGSKSQGCAC-UHFFFAOYSA-N -1 1 297.318 1.416 20 0 CDADMM C[C@@H](CN(C(=O)CCc1cnc[nH]1)C1CC1)C(=O)[O-] ZINC000909459147 619333884 /nfs/dbraw/zinc/33/38/84/619333884.db2.gz VTWUFLHNWDDYAZ-VIFPVBQESA-N -1 1 265.313 1.054 20 0 CDADMM C[C@@H]1CC[C@H](CNC(=O)c2cnc(C3CC3)[n-]c2=O)O1 ZINC000909580019 620456727 /nfs/dbraw/zinc/45/67/27/620456727.db2.gz LIPLGFCQQSMXFV-PSASIEDQSA-N -1 1 277.324 1.357 20 0 CDADMM C[C@@H]1COC[C@H]1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000928887664 620593547 /nfs/dbraw/zinc/59/35/47/620593547.db2.gz YBOAUYCGGUPURU-LDYMZIIASA-N -1 1 269.728 1.739 20 0 CDADMM CCC(CC)(C(=O)[O-])C(=O)NCc1cc(N(C)C)ccn1 ZINC000902815077 625468352 /nfs/dbraw/zinc/46/83/52/625468352.db2.gz SNAIKWDSTODLKS-UHFFFAOYSA-N -1 1 293.367 1.655 20 0 CDADMM CC[C@@H](CNC(=O)[C@@H]1CCCc2[nH]ncc21)C(=O)[O-] ZINC000902849232 625513932 /nfs/dbraw/zinc/51/39/32/625513932.db2.gz JODUYDATXTUTMA-DTWKUNHWSA-N -1 1 265.313 1.057 20 0 CDADMM C[C@@]1(C(=O)NCc2nc([O-])cc(=O)[nH]2)CCc2ccccc21 ZINC000898754740 621865692 /nfs/dbraw/zinc/86/56/92/621865692.db2.gz JTCITHMVCFBBEX-MRXNPFEDSA-N -1 1 299.330 1.408 20 0 CDADMM CCc1sc(C(=O)[N-]N2C(=O)[C@@H](C)N(C)C2=O)cc1C ZINC000899026166 622020113 /nfs/dbraw/zinc/02/01/13/622020113.db2.gz OOYTVQRAYJJZJZ-MRVPVSSYSA-N -1 1 295.364 1.546 20 0 CDADMM Cc1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)cn1 ZINC000899688217 622360876 /nfs/dbraw/zinc/36/08/76/622360876.db2.gz IEWZYRITOSVZEU-UHFFFAOYSA-N -1 1 298.298 1.503 20 0 CDADMM O=C([O-])C1(NCc2cn(Cc3ccccc3)nn2)CCC1 ZINC000900033509 622659545 /nfs/dbraw/zinc/65/95/45/622659545.db2.gz OLYIABFQSFLELO-UHFFFAOYSA-N -1 1 286.335 1.423 20 0 CDADMM CN(CCc1ccncc1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900407309 623011672 /nfs/dbraw/zinc/01/16/72/623011672.db2.gz 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CDADMM C[C@H](NC(=O)NCC1(CC(=O)[O-])CCCC1)c1nnc[nH]1 ZINC001604291379 1163143578 /nfs/dbraw/zinc/14/35/78/1163143578.db2.gz NNKBYUVTZRFIFR-VIFPVBQESA-N -1 1 295.343 1.200 20 0 CDADMM C[C@H](NC[C@H](O)c1ccnn1C)c1cc(C(=O)[O-])co1 ZINC001604332546 1163155036 /nfs/dbraw/zinc/15/50/36/1163155036.db2.gz KFYNKAYHLZNSRG-KWQFWETISA-N -1 1 279.296 1.096 20 0 CDADMM C[C@H]([C@H](C)O)N1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001604377302 1163169175 /nfs/dbraw/zinc/16/91/75/1163169175.db2.gz BVBNCMQZKKILSB-ZJUUUORDSA-N -1 1 284.381 1.338 20 0 CDADMM CCSCCCNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001604481075 1163201095 /nfs/dbraw/zinc/20/10/95/1163201095.db2.gz KIKAMRIMDHSLLJ-UHFFFAOYSA-N -1 1 293.400 1.774 20 0 CDADMM CCSCCCNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001604481075 1163201102 /nfs/dbraw/zinc/20/11/02/1163201102.db2.gz KIKAMRIMDHSLLJ-UHFFFAOYSA-N -1 1 293.400 1.774 20 0 CDADMM CCc1nc(N[C@H](CC)C2CC2)cc(-c2nnn[n-]2)n1 ZINC001604555947 1163229229 /nfs/dbraw/zinc/22/92/29/1163229229.db2.gz NFUQHJGVVJWUSP-SECBINFHSA-N -1 1 273.344 1.820 20 0 CDADMM CCc1nc(N[C@H](CC)C2CC2)cc(-c2nn[n-]n2)n1 ZINC001604555947 1163229235 /nfs/dbraw/zinc/22/92/35/1163229235.db2.gz NFUQHJGVVJWUSP-SECBINFHSA-N -1 1 273.344 1.820 20 0 CDADMM CCn1cc(CNc2[nH+]c(C)cc(C)c2-c2nn[nH]n2)nn1 ZINC001604606624 1163246107 /nfs/dbraw/zinc/24/61/07/1163246107.db2.gz UZEQAFZDRLPGSB-UHFFFAOYSA-N -1 1 299.342 1.102 20 0 CDADMM CCn1nc(C)c(Nc2cc(-c3nnn[n-]3)ncn2)c1C ZINC001604617090 1163252241 /nfs/dbraw/zinc/25/22/41/1163252241.db2.gz GQCVCAYPZHPFRB-UHFFFAOYSA-N -1 1 285.315 1.234 20 0 CDADMM CCn1nc(C)c(Nc2cc(-c3nn[n-]n3)ncn2)c1C ZINC001604617090 1163252248 /nfs/dbraw/zinc/25/22/48/1163252248.db2.gz GQCVCAYPZHPFRB-UHFFFAOYSA-N -1 1 285.315 1.234 20 0 CDADMM C[C@H](C(=O)OCC1(C(=O)[O-])CC1)N1[C@H](C)CC[C@@H]1C ZINC001604698529 1163287379 /nfs/dbraw/zinc/28/73/79/1163287379.db2.gz RAOMKGVSTKMNFZ-OUAUKWLOSA-N -1 1 269.341 1.656 20 0 CDADMM CN(c1cc(-c2nnn[n-]2)nc(C2CC2)n1)C1CCC1 ZINC001604828276 1163343693 /nfs/dbraw/zinc/34/36/93/1163343693.db2.gz MATFAENTDUOBDG-UHFFFAOYSA-N -1 1 271.328 1.523 20 0 CDADMM CN(c1cc(-c2nn[n-]n2)nc(C2CC2)n1)C1CCC1 ZINC001604828276 1163343698 /nfs/dbraw/zinc/34/36/98/1163343698.db2.gz MATFAENTDUOBDG-UHFFFAOYSA-N -1 1 271.328 1.523 20 0 CDADMM CO[C@H]1CC[C@@H](NC(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001605029409 1163423801 /nfs/dbraw/zinc/42/38/01/1163423801.db2.gz KFBQLWXMIGWPRU-SFYZADRCSA-N -1 1 293.352 1.226 20 0 CDADMM CO[C@H]1CC[C@@H](NC(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001605029409 1163423805 /nfs/dbraw/zinc/42/38/05/1163423805.db2.gz KFBQLWXMIGWPRU-SFYZADRCSA-N -1 1 293.352 1.226 20 0 CDADMM COC[C@@H]1CCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001605072897 1163441609 /nfs/dbraw/zinc/44/16/09/1163441609.db2.gz RPKPQQQQEOXGRE-YFKPBYRVSA-N -1 1 286.748 1.202 20 0 CDADMM COC[C@@H]1CCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001605072897 1163441615 /nfs/dbraw/zinc/44/16/15/1163441615.db2.gz RPKPQQQQEOXGRE-YFKPBYRVSA-N -1 1 286.748 1.202 20 0 CDADMM COCCc1ccc(Oc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001605123469 1163461628 /nfs/dbraw/zinc/46/16/28/1163461628.db2.gz TZPZBSFPQADCRY-UHFFFAOYSA-N -1 1 298.306 1.638 20 0 CDADMM COCCc1ccc(Oc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001605123469 1163461631 /nfs/dbraw/zinc/46/16/31/1163461631.db2.gz TZPZBSFPQADCRY-UHFFFAOYSA-N -1 1 298.306 1.638 20 0 CDADMM CO[C@H]1C[C@@H](COc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001605153539 1163471415 /nfs/dbraw/zinc/47/14/15/1163471415.db2.gz IRJIEYNKLVULHL-DTORHVGOSA-N -1 1 278.287 1.810 20 0 CDADMM CO[C@H]1C[C@@H](COc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001605153539 1163471419 /nfs/dbraw/zinc/47/14/19/1163471419.db2.gz IRJIEYNKLVULHL-DTORHVGOSA-N -1 1 278.287 1.810 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(F)(F)C2)c1 ZINC001605560463 1163609199 /nfs/dbraw/zinc/60/91/99/1163609199.db2.gz UUKFJTBXKQOTER-UHFFFAOYSA-N -1 1 266.255 1.416 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(F)(F)C2)c1 ZINC001605560463 1163609200 /nfs/dbraw/zinc/60/92/00/1163609200.db2.gz UUKFJTBXKQOTER-UHFFFAOYSA-N -1 1 266.255 1.416 20 0 CDADMM Cc1cc(N[C@@H](C)CC[S@](C)=O)cc(-c2nnn[n-]2)n1 ZINC001605722199 1163651660 /nfs/dbraw/zinc/65/16/60/1163651660.db2.gz ZMNBOFFEGBRJQY-FHZGZLOMSA-N -1 1 294.384 1.139 20 0 CDADMM Cc1cc(N[C@@H](C)CC[S@](C)=O)cc(-c2nn[n-]n2)n1 ZINC001605722199 1163651664 /nfs/dbraw/zinc/65/16/64/1163651664.db2.gz ZMNBOFFEGBRJQY-FHZGZLOMSA-N -1 1 294.384 1.139 20 0 CDADMM Cc1cc(NC[C@@H]2CC[C@@H](C)O2)nc(-c2nnn[n-]2)c1 ZINC001605730316 1163654506 /nfs/dbraw/zinc/65/45/06/1163654506.db2.gz JGGNJVGULOJCAM-ZJUUUORDSA-N -1 1 274.328 1.550 20 0 CDADMM Cc1cc(NC[C@@H]2CC[C@@H](C)O2)nc(-c2nn[n-]n2)c1 ZINC001605730316 1163654513 /nfs/dbraw/zinc/65/45/13/1163654513.db2.gz JGGNJVGULOJCAM-ZJUUUORDSA-N -1 1 274.328 1.550 20 0 CDADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCC[C@](C)(F)C1 ZINC001605802714 1163675631 /nfs/dbraw/zinc/67/56/31/1163675631.db2.gz DMENBJOEVVLIJJ-ZDUSSCGKSA-N -1 1 276.319 1.899 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC[C@](C)(F)C1 ZINC001605802714 1163675633 /nfs/dbraw/zinc/67/56/33/1163675633.db2.gz DMENBJOEVVLIJJ-ZDUSSCGKSA-N -1 1 276.319 1.899 20 0 CDADMM Cc1noc(C)c1CCNc1nc(-c2nn[n-]n2)ccc1C ZINC001605805620 1163676670 /nfs/dbraw/zinc/67/66/70/1163676670.db2.gz ZKURQQAGBLAVEI-UHFFFAOYSA-N -1 1 299.338 1.830 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC2(CCO2)CC1 ZINC001605803017 1163676682 /nfs/dbraw/zinc/67/66/82/1163676682.db2.gz USZBSGGRPZECAK-UHFFFAOYSA-N -1 1 286.339 1.329 20 0 CDADMM Cc1ccc(N2CCC[C@H](CF)C2)c(-c2nnn[n-]2)n1 ZINC001605864471 1163696365 /nfs/dbraw/zinc/69/63/65/1163696365.db2.gz FMRGFLBAARPBCN-SNVBAGLBSA-N -1 1 276.319 1.756 20 0 CDADMM Cc1ccc(N2CCC[C@H](CF)C2)c(-c2nn[n-]n2)n1 ZINC001605864471 1163696370 /nfs/dbraw/zinc/69/63/70/1163696370.db2.gz FMRGFLBAARPBCN-SNVBAGLBSA-N -1 1 276.319 1.756 20 0 CDADMM Cc1ccc2ccccc2c1Cn1cc(-c2nn[n-]n2)nn1 ZINC001605890204 1163708188 /nfs/dbraw/zinc/70/81/88/1163708188.db2.gz ZLPWPXGBBVHSLC-UHFFFAOYSA-N -1 1 291.318 1.968 20 0 CDADMM Cc1ccn(CN(C)C2CCCC2)c(=O)c1-c1nnn[n-]1 ZINC001605948972 1163723752 /nfs/dbraw/zinc/72/37/52/1163723752.db2.gz KACULWNDCQSYAM-UHFFFAOYSA-N -1 1 288.355 1.169 20 0 CDADMM Cc1ccncc1C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001605959975 1163728776 /nfs/dbraw/zinc/72/87/76/1163728776.db2.gz ISPQBGCKEOABRN-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM Cc1ccncc1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001605959975 1163728781 /nfs/dbraw/zinc/72/87/81/1163728781.db2.gz ISPQBGCKEOABRN-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM Cc1ccncc1N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001605961887 1163729701 /nfs/dbraw/zinc/72/97/01/1163729701.db2.gz UZJAOPGLOVLBQX-UHFFFAOYSA-N -1 1 284.279 1.440 20 0 CDADMM Cc1[nH]nc(NC(=O)c2csc(-c3nn[n-]n3)c2)c1C ZINC001606013531 1163744919 /nfs/dbraw/zinc/74/49/19/1163744919.db2.gz ADBUERIGXMXJLB-UHFFFAOYSA-N -1 1 289.324 1.520 20 0 CDADMM Cc1nc(-c2nn[n-]n2)c(-n2nc(C)c(C)c2C)o1 ZINC001606017697 1163745327 /nfs/dbraw/zinc/74/53/27/1163745327.db2.gz MDRKMHHYOWINIZ-UHFFFAOYSA-N -1 1 259.273 1.274 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@@H]2C[C@@H]3CCC[C@H]3O2)c1C ZINC001606021155 1163747428 /nfs/dbraw/zinc/74/74/28/1163747428.db2.gz KWFKJLJKCKKCKE-SDDRHHMPSA-N -1 1 288.355 1.638 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@@H]2C[C@@H]3CCC[C@H]3O2)c1C ZINC001606021155 1163747435 /nfs/dbraw/zinc/74/74/35/1163747435.db2.gz KWFKJLJKCKKCKE-SDDRHHMPSA-N -1 1 288.355 1.638 20 0 CDADMM Cc1nc(N[C@@H]2CSC2(C)C)cc(-c2nnn[n-]2)n1 ZINC001606067158 1163761858 /nfs/dbraw/zinc/76/18/58/1163761858.db2.gz PZCGUEQNAXQKFN-MRVPVSSYSA-N -1 1 277.357 1.271 20 0 CDADMM Cc1nc(N[C@@H]2CSC2(C)C)cc(-c2nn[n-]n2)n1 ZINC001606067158 1163761865 /nfs/dbraw/zinc/76/18/65/1163761865.db2.gz PZCGUEQNAXQKFN-MRVPVSSYSA-N -1 1 277.357 1.271 20 0 CDADMM FC1(F)CCC[C@@H]1CNc1ncncc1-c1nn[n-]n1 ZINC001606299320 1163843241 /nfs/dbraw/zinc/84/32/41/1163843241.db2.gz CFQIUZXYONWOQK-SSDOTTSWSA-N -1 1 281.270 1.504 20 0 CDADMM FC1(F)[C@@H]2CCN(c3ccnc(-c4nnn[n-]4)c3)C[C@@H]21 ZINC001606300534 1163845522 /nfs/dbraw/zinc/84/55/22/1163845522.db2.gz IKXBKFRDCFZUCN-BDAKNGLRSA-N -1 1 278.266 1.353 20 0 CDADMM FC1(F)[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)c3)C[C@@H]21 ZINC001606300534 1163845529 /nfs/dbraw/zinc/84/55/29/1163845529.db2.gz IKXBKFRDCFZUCN-BDAKNGLRSA-N -1 1 278.266 1.353 20 0 CDADMM Fc1cccc(OCC[C@H]2CCOC2)c1-c1nnn[n-]1 ZINC001606328710 1163861153 /nfs/dbraw/zinc/86/11/53/1163861153.db2.gz DXMWIXIWHCXBKL-SECBINFHSA-N -1 1 278.287 1.811 20 0 CDADMM Fc1cccc(OCC[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC001606328710 1163861157 /nfs/dbraw/zinc/86/11/57/1163861157.db2.gz DXMWIXIWHCXBKL-SECBINFHSA-N -1 1 278.287 1.811 20 0 CDADMM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1CC[C@H]1CCCCO1 ZINC001606384172 1163886122 /nfs/dbraw/zinc/88/61/22/1163886122.db2.gz BPQWLFFAAWUHGA-XQQFMLRXSA-N -1 1 299.367 1.284 20 0 CDADMM COC(=O)CC1(NCc2cc(C(=O)[O-])no2)CCCC1 ZINC001606445808 1163902124 /nfs/dbraw/zinc/90/21/24/1163902124.db2.gz WNMKLOCGYITEFE-UHFFFAOYSA-N -1 1 282.296 1.338 20 0 CDADMM O=C(CCF)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606518676 1163922906 /nfs/dbraw/zinc/92/29/06/1163922906.db2.gz RWLBPKBUKUVJRA-UHFFFAOYSA-N -1 1 285.229 1.121 20 0 CDADMM O=C(CCF)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606518676 1163922914 /nfs/dbraw/zinc/92/29/14/1163922914.db2.gz RWLBPKBUKUVJRA-UHFFFAOYSA-N -1 1 285.229 1.121 20 0 CDADMM O=C(N[C@H]1C[C@@H]1c1ccccc1)c1coc(-c2nnn[n-]2)c1 ZINC001606654954 1163948433 /nfs/dbraw/zinc/94/84/33/1163948433.db2.gz UQNILAWWWUPFOD-NEPJUHHUSA-N -1 1 295.302 1.746 20 0 CDADMM O=C(N[C@H]1C[C@@H]1c1ccccc1)c1coc(-c2nn[n-]n2)c1 ZINC001606654954 1163948437 /nfs/dbraw/zinc/94/84/37/1163948437.db2.gz UQNILAWWWUPFOD-NEPJUHHUSA-N -1 1 295.302 1.746 20 0 CDADMM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccnc(-c2nnn[n-]2)c1 ZINC001606671072 1163956165 /nfs/dbraw/zinc/95/61/65/1163956165.db2.gz REIIYGGXWRWHRW-DVVUODLYSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccnc(-c2nn[n-]n2)c1 ZINC001606671072 1163956170 /nfs/dbraw/zinc/95/61/70/1163956170.db2.gz REIIYGGXWRWHRW-DVVUODLYSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@]12C[C@@H]1CCCC2 ZINC001606934118 1164032661 /nfs/dbraw/zinc/03/26/61/1164032661.db2.gz VAQBSVMIUVHZLU-XPTSAGLGSA-N -1 1 299.338 1.716 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@]12C[C@@H]1CCCC2 ZINC001606934118 1164032668 /nfs/dbraw/zinc/03/26/68/1164032668.db2.gz VAQBSVMIUVHZLU-XPTSAGLGSA-N -1 1 299.338 1.716 20 0 CDADMM O=C(Nc1ccn2ccnc2c1)c1coc(-c2nnn[n-]2)c1 ZINC001606940540 1164034210 /nfs/dbraw/zinc/03/42/10/1164034210.db2.gz BBUABGMEYYNMGW-UHFFFAOYSA-N -1 1 295.262 1.360 20 0 CDADMM O=C(Nc1ccn2ccnc2c1)c1coc(-c2nn[n-]n2)c1 ZINC001606940540 1164034217 /nfs/dbraw/zinc/03/42/17/1164034217.db2.gz BBUABGMEYYNMGW-UHFFFAOYSA-N -1 1 295.262 1.360 20 0 CDADMM O=C([O-])[C@H](CC1CC1)[NH2+]Cc1csc(-c2nn[n-]n2)c1 ZINC001606962097 1164038530 /nfs/dbraw/zinc/03/85/30/1164038530.db2.gz DIEPRCHELBEUQX-VIFPVBQESA-N -1 1 293.352 1.271 20 0 CDADMM O=C(OC[C@@H]1CC12CCC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001606965935 1164041065 /nfs/dbraw/zinc/04/10/65/1164041065.db2.gz XBTAZDIZFJBTPW-JTQLQIEISA-N -1 1 285.307 1.609 20 0 CDADMM O=C(OC[C@@H]1CC12CCC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001606965935 1164041072 /nfs/dbraw/zinc/04/10/72/1164041072.db2.gz XBTAZDIZFJBTPW-JTQLQIEISA-N -1 1 285.307 1.609 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1(CF)CCC1 ZINC001606982502 1164050018 /nfs/dbraw/zinc/05/00/18/1164050018.db2.gz QYXSXJBFOXTXND-UHFFFAOYSA-N -1 1 291.286 1.445 20 0 CDADMM O=C(OCc1ncccn1)c1ccc(-c2nnn[n-]2)s1 ZINC001606988460 1164052155 /nfs/dbraw/zinc/05/21/55/1164052155.db2.gz WXBLFVMMHSPEHT-UHFFFAOYSA-N -1 1 288.292 1.075 20 0 CDADMM O=C(OCc1ncccn1)c1ccc(-c2nn[n-]n2)s1 ZINC001606988460 1164052161 /nfs/dbraw/zinc/05/21/61/1164052161.db2.gz WXBLFVMMHSPEHT-UHFFFAOYSA-N -1 1 288.292 1.075 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1CCC1=CCCCC1 ZINC001607091448 1164077316 /nfs/dbraw/zinc/07/73/16/1164077316.db2.gz NYKGTUFPYJCVIU-UHFFFAOYSA-N -1 1 271.324 1.919 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1Cc1sccc1Cl ZINC001607091359 1164077343 /nfs/dbraw/zinc/07/73/43/1164077343.db2.gz FCOBMLZJAQAGIX-UHFFFAOYSA-N -1 1 293.739 1.792 20 0 CDADMM OCC1(CNc2cc(-c3nnn[n-]3)ncn2)CCCCC1 ZINC001607101201 1164082686 /nfs/dbraw/zinc/08/26/86/1164082686.db2.gz GPVXRYMMFLMXDV-UHFFFAOYSA-N -1 1 289.343 1.011 20 0 CDADMM OCC1(CNc2cc(-c3nn[n-]n3)ncn2)CCCCC1 ZINC001607101201 1164082693 /nfs/dbraw/zinc/08/26/93/1164082693.db2.gz GPVXRYMMFLMXDV-UHFFFAOYSA-N -1 1 289.343 1.011 20 0 CDADMM OCCCCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001607107569 1164086572 /nfs/dbraw/zinc/08/65/72/1164086572.db2.gz LSXQPCSVXGVJFA-UHFFFAOYSA-N -1 1 274.737 1.161 20 0 CDADMM c1cc(NC[C@H]2CCC3(CCC3)O2)cc(-c2nnn[n-]2)n1 ZINC001607120560 1164103298 /nfs/dbraw/zinc/10/32/98/1164103298.db2.gz CJKFLRGGVNDIHA-LLVKDONJSA-N -1 1 286.339 1.197 20 0 CDADMM c1cc(NC[C@H]2CCC3(CCC3)O2)cc(-c2nn[n-]n2)n1 ZINC001607120560 1164103299 /nfs/dbraw/zinc/10/32/99/1164103299.db2.gz CJKFLRGGVNDIHA-LLVKDONJSA-N -1 1 286.339 1.197 20 0 CDADMM c1cc(NC[C@@H]2CCC[C@@H]3C[C@@H]32)cc(-c2nnn[n-]2)n1 ZINC001607120836 1164104404 /nfs/dbraw/zinc/10/44/04/1164104404.db2.gz GOPXXZHYSNFJAE-SCVCMEIPSA-N -1 1 270.340 1.532 20 0 CDADMM c1cc(NC[C@@H]2CCC[C@@H]3C[C@@H]32)cc(-c2nn[n-]n2)n1 ZINC001607120836 1164104410 /nfs/dbraw/zinc/10/44/10/1164104410.db2.gz GOPXXZHYSNFJAE-SCVCMEIPSA-N -1 1 270.340 1.532 20 0 CDADMM c1c(-c2nn[n-]n2)nnn1Cc1ccccc1OC1CC1 ZINC001607130743 1164110009 /nfs/dbraw/zinc/11/00/09/1164110009.db2.gz HJSRWTPXZNVBPC-UHFFFAOYSA-N -1 1 283.295 1.048 20 0 CDADMM c1nc(C2CC2)oc1COc1cccnc1-c1nnn[n-]1 ZINC001607133784 1164113257 /nfs/dbraw/zinc/11/32/57/1164113257.db2.gz QBGAJAGEUHUQOC-UHFFFAOYSA-N -1 1 284.279 1.706 20 0 CDADMM c1nc(C2CC2)oc1COc1cccnc1-c1nn[n-]n1 ZINC001607133784 1164113259 /nfs/dbraw/zinc/11/32/59/1164113259.db2.gz QBGAJAGEUHUQOC-UHFFFAOYSA-N -1 1 284.279 1.706 20 0 CDADMM c1nc(NC[C@H]2CC3(CCC3)CO2)cc(-c2nnn[n-]2)n1 ZINC001607137361 1164116502 /nfs/dbraw/zinc/11/65/02/1164116502.db2.gz QSJHCSCSRATOQB-SECBINFHSA-N -1 1 287.327 1.028 20 0 CDADMM c1nc(NC[C@H]2CC3(CCC3)CO2)cc(-c2nn[n-]n2)n1 ZINC001607137361 1164116503 /nfs/dbraw/zinc/11/65/03/1164116503.db2.gz QSJHCSCSRATOQB-SECBINFHSA-N -1 1 287.327 1.028 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NCCCCC2CC2)n1 ZINC001607139168 1164120790 /nfs/dbraw/zinc/12/07/90/1164120790.db2.gz XEKZFCBHIBFMKA-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM Cn1cc(NC(=O)[C@H]2CCCN2C2CC2)cc1C(=O)[O-] ZINC001608118999 1164415690 /nfs/dbraw/zinc/41/56/90/1164415690.db2.gz VJKYGGSQPWZVEU-LLVKDONJSA-N -1 1 277.324 1.289 20 0 CDADMM O=C([O-])[C@@H](c1ccsc1)N1CCN(CCCCO)CC1 ZINC001608563632 1164546219 /nfs/dbraw/zinc/54/62/19/1164546219.db2.gz YQJUPTJEIJKQDA-CYBMUJFWSA-N -1 1 298.408 1.264 20 0 CDADMM O=C([O-])C1([C@]2(O)CCC[N@@H+](Cc3nccs3)C2)CCC1 ZINC001608568636 1164549848 /nfs/dbraw/zinc/54/98/48/1164549848.db2.gz WGZZHBLHOQODDZ-AWEZNQCLSA-N -1 1 296.392 1.725 20 0 CDADMM O=C([O-])C1([C@]2(O)CCCN(Cc3nccs3)C2)CCC1 ZINC001608568636 1164549853 /nfs/dbraw/zinc/54/98/53/1164549853.db2.gz WGZZHBLHOQODDZ-AWEZNQCLSA-N -1 1 296.392 1.725 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1cccc(-c2ccccn2)c1 ZINC001608608230 1164572978 /nfs/dbraw/zinc/57/29/78/1164572978.db2.gz WBNIMSKYNJCNJB-ZBFHGGJFSA-N -1 1 298.342 1.768 20 0 CDADMM O=C([O-])CC1(NCc2nccn2CC(F)(F)F)CC1 ZINC001608688380 1164604986 /nfs/dbraw/zinc/60/49/86/1164604986.db2.gz KUXLLXFIRCLVAH-UHFFFAOYSA-N -1 1 277.246 1.542 20 0 CDADMM O=C([O-])CC1CC(N[C@@H](CO)c2c(F)cccc2F)C1 ZINC001608692466 1164606301 /nfs/dbraw/zinc/60/63/01/1164606301.db2.gz IRBKLSMUCYOXHH-KWPJZBAWSA-N -1 1 285.290 1.841 20 0 CDADMM O=C([O-])Cn1ccc(NC(=O)c2ccc(Cl)c(O)c2)n1 ZINC001608799417 1164640639 /nfs/dbraw/zinc/64/06/39/1164640639.db2.gz NJBWXPAVFPVMJR-UHFFFAOYSA-N -1 1 295.682 1.579 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2C[N@@H+](Cc3ccc([O-])c(F)c3)C[C@@H]21 ZINC001608817075 1164648766 /nfs/dbraw/zinc/64/87/66/1164648766.db2.gz XMBHCEZDFRDVNQ-GDGBQDQQSA-N -1 1 251.257 1.294 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2C[N@H+](Cc3ccc([O-])c(F)c3)C[C@@H]21 ZINC001608817075 1164648770 /nfs/dbraw/zinc/64/87/70/1164648770.db2.gz XMBHCEZDFRDVNQ-GDGBQDQQSA-N -1 1 251.257 1.294 20 0 CDADMM O=C([O-])c1csc(CN2CCC[C@@H](CCO)CC2)n1 ZINC001608991918 1164711472 /nfs/dbraw/zinc/71/14/72/1164711472.db2.gz TUJWWVUZZVAIIP-SNVBAGLBSA-N -1 1 284.381 1.826 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@H]2CCC=CO2)c1 ZINC001609022483 1164731054 /nfs/dbraw/zinc/73/10/54/1164731054.db2.gz UOOMDGHHHJMGQT-SECBINFHSA-N -1 1 258.285 1.366 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@H]2CCC=CO2)c1 ZINC001609022483 1164731058 /nfs/dbraw/zinc/73/10/58/1164731058.db2.gz UOOMDGHHHJMGQT-SECBINFHSA-N -1 1 258.285 1.366 20 0 CDADMM CC(C)(C)CC(=O)NOCc1nc(-c2nnn[n-]2)cs1 ZINC001609075128 1164756309 /nfs/dbraw/zinc/75/63/09/1164756309.db2.gz QRYMONOEXOTTCT-UHFFFAOYSA-N -1 1 296.356 1.307 20 0 CDADMM CC(C)(C)CC(=O)NOCc1nc(-c2nn[n-]n2)cs1 ZINC001609075128 1164756313 /nfs/dbraw/zinc/75/63/13/1164756313.db2.gz QRYMONOEXOTTCT-UHFFFAOYSA-N -1 1 296.356 1.307 20 0 CDADMM C[C@@H]1CCC[C@H](Nc2ccnc(-c3nnn[n-]3)c2)[C@H]1C ZINC001609164432 1164811665 /nfs/dbraw/zinc/81/16/65/1164811665.db2.gz RGHFRNYOVSUYCK-SCVCMEIPSA-N -1 1 272.356 1.920 20 0 CDADMM C[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)c2)[C@H]1C ZINC001609164432 1164811670 /nfs/dbraw/zinc/81/16/70/1164811670.db2.gz RGHFRNYOVSUYCK-SCVCMEIPSA-N -1 1 272.356 1.920 20 0 CDADMM CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609184166 1164822530 /nfs/dbraw/zinc/82/25/30/1164822530.db2.gz RHHZCZHLTSXIFZ-HTQZYQBOSA-N -1 1 263.301 1.624 20 0 CDADMM CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609184166 1164822537 /nfs/dbraw/zinc/82/25/37/1164822537.db2.gz RHHZCZHLTSXIFZ-HTQZYQBOSA-N -1 1 263.301 1.624 20 0 CDADMM CO[C@]1(C)CCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001609312877 1164893813 /nfs/dbraw/zinc/89/38/13/1164893813.db2.gz VCRAEUMAHNZKTO-CYBMUJFWSA-N -1 1 274.328 1.267 20 0 CDADMM CO[C@]1(C)CCCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001609312877 1164893818 /nfs/dbraw/zinc/89/38/18/1164893818.db2.gz VCRAEUMAHNZKTO-CYBMUJFWSA-N -1 1 274.328 1.267 20 0 CDADMM COC[C@@H](C)CC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001609316462 1164894447 /nfs/dbraw/zinc/89/44/47/1164894447.db2.gz ATLSNLYLCRJIQS-LURJTMIESA-N -1 1 296.356 1.243 20 0 CDADMM COC[C@@H](C)CC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001609316462 1164894457 /nfs/dbraw/zinc/89/44/57/1164894457.db2.gz ATLSNLYLCRJIQS-LURJTMIESA-N -1 1 296.356 1.243 20 0 CDADMM COC[C@@H](C)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609316523 1164895345 /nfs/dbraw/zinc/89/53/45/1164895345.db2.gz DAQCEGWVURMKNV-SSDOTTSWSA-N -1 1 282.325 1.368 20 0 CDADMM COC[C@@H](C)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609316523 1164895354 /nfs/dbraw/zinc/89/53/54/1164895354.db2.gz DAQCEGWVURMKNV-SSDOTTSWSA-N -1 1 282.325 1.368 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCc2cccc(O)c2)n1 ZINC001609392068 1164924969 /nfs/dbraw/zinc/92/49/69/1164924969.db2.gz FUSWXHSHNIWSRP-UHFFFAOYSA-N -1 1 283.295 1.283 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCc2cccc(O)c2)n1 ZINC001609392068 1164924975 /nfs/dbraw/zinc/92/49/75/1164924975.db2.gz FUSWXHSHNIWSRP-UHFFFAOYSA-N -1 1 283.295 1.283 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(SCC(=O)OC(C)C)n1 ZINC001609393022 1164925779 /nfs/dbraw/zinc/92/57/79/1164925779.db2.gz TUHYUWINUBVIJO-UHFFFAOYSA-N -1 1 294.340 1.009 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(SCC(=O)OC(C)C)n1 ZINC001609393022 1164925785 /nfs/dbraw/zinc/92/57/85/1164925785.db2.gz TUHYUWINUBVIJO-UHFFFAOYSA-N -1 1 294.340 1.009 20 0 CDADMM Cc1cccc(CNC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001609431568 1164942165 /nfs/dbraw/zinc/94/21/65/1164942165.db2.gz PMSIZJJHKDJUPT-UHFFFAOYSA-N -1 1 294.318 1.500 20 0 CDADMM Cc1cccc(CNC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001609431568 1164942169 /nfs/dbraw/zinc/94/21/69/1164942169.db2.gz PMSIZJJHKDJUPT-UHFFFAOYSA-N -1 1 294.318 1.500 20 0 CDADMM Cc1ccncc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609439695 1164948593 /nfs/dbraw/zinc/94/85/93/1164948593.db2.gz YIXFGZPZHRBPNR-UHFFFAOYSA-N -1 1 270.252 1.415 20 0 CDADMM Cc1sc2ncnc(-n3cnc(-c4nn[n-]n4)n3)c2c1C ZINC001609472314 1164965764 /nfs/dbraw/zinc/96/57/64/1164965764.db2.gz YRJSUWNEQAHAPR-UHFFFAOYSA-N -1 1 299.323 1.069 20 0 CDADMM O=C(NC1(C(F)(F)F)CC1)c1ccc(-c2nnn[n-]2)o1 ZINC001609539586 1164983789 /nfs/dbraw/zinc/98/37/89/1164983789.db2.gz PLBZSDFIEMFTKQ-UHFFFAOYSA-N -1 1 287.201 1.284 20 0 CDADMM O=C(OCC1CC1)Oc1cccnc1-c1nnn[n-]1 ZINC001609573724 1164994553 /nfs/dbraw/zinc/99/45/53/1164994553.db2.gz NGJYARGHNHXBLS-UHFFFAOYSA-N -1 1 261.241 1.187 20 0 CDADMM O=C(OCC1CC1)Oc1cccnc1-c1nn[n-]n1 ZINC001609573724 1164994560 /nfs/dbraw/zinc/99/45/60/1164994560.db2.gz NGJYARGHNHXBLS-UHFFFAOYSA-N -1 1 261.241 1.187 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1C[C@H]2CCCC[C@@H]2C1 ZINC001609582987 1164995950 /nfs/dbraw/zinc/99/59/50/1164995950.db2.gz LTRDZXATICRHLI-GHMZBOCLSA-N -1 1 298.350 1.524 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1C[C@H]2CCCC[C@@H]2C1 ZINC001609582987 1164995952 /nfs/dbraw/zinc/99/59/52/1164995952.db2.gz LTRDZXATICRHLI-GHMZBOCLSA-N -1 1 298.350 1.524 20 0 CDADMM OC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001609608965 1165003647 /nfs/dbraw/zinc/00/36/47/1165003647.db2.gz CFJKNDTUEZHYEN-LLVKDONJSA-N -1 1 274.328 1.225 20 0 CDADMM OC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001609608965 1165003650 /nfs/dbraw/zinc/00/36/50/1165003650.db2.gz CFJKNDTUEZHYEN-LLVKDONJSA-N -1 1 274.328 1.225 20 0 CDADMM c1ccc2c(c1)CC[C@@H]2CNc1ccnc(-c2nnn[n-]2)c1 ZINC001609618167 1165012024 /nfs/dbraw/zinc/01/20/24/1165012024.db2.gz VNHOJTDABBQTTP-GFCCVEGCSA-N -1 1 292.346 1.826 20 0 CDADMM c1ccc2c(c1)CC[C@@H]2CNc1ccnc(-c2nn[n-]n2)c1 ZINC001609618167 1165012028 /nfs/dbraw/zinc/01/20/28/1165012028.db2.gz VNHOJTDABBQTTP-GFCCVEGCSA-N -1 1 292.346 1.826 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CC(C3CCCC3)C2)n1 ZINC001609620029 1165015680 /nfs/dbraw/zinc/01/56/80/1165015680.db2.gz LFBGBRPUMMVZRZ-UHFFFAOYSA-N -1 1 271.328 1.283 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CC(C3CCCC3)C2)n1 ZINC001609620029 1165015684 /nfs/dbraw/zinc/01/56/84/1165015684.db2.gz LFBGBRPUMMVZRZ-UHFFFAOYSA-N -1 1 271.328 1.283 20 0 CDADMM C[C@@](CC(=O)[O-])(NC(=O)c1ncn[nH]1)c1cccc(F)c1 ZINC001609730995 1165058598 /nfs/dbraw/zinc/05/85/98/1165058598.db2.gz ZOYXWOAEZDSMIS-ZDUSSCGKSA-N -1 1 292.270 1.064 20 0 CDADMM C[C@@](CC(=O)[O-])(NC(=O)c1nc[nH]n1)c1cccc(F)c1 ZINC001609730995 1165058604 /nfs/dbraw/zinc/05/86/04/1165058604.db2.gz ZOYXWOAEZDSMIS-ZDUSSCGKSA-N -1 1 292.270 1.064 20 0 CDADMM C[C@H](N[C@@H](C(=O)[O-])C1CC1)C(=O)NCCC1=CCCCC1 ZINC001609773665 1165074637 /nfs/dbraw/zinc/07/46/37/1165074637.db2.gz HPAANILYGAUMKE-SMDDNHRTSA-N -1 1 294.395 1.834 20 0 CDADMM C[C@H]1CN(C[C@H]2CCC(C)(C)O2)C[C@@H](C(=O)[O-])O1 ZINC001610396019 1165305232 /nfs/dbraw/zinc/30/52/32/1165305232.db2.gz PTVYPFAJMVXEPI-AXFHLTTASA-N -1 1 257.330 1.118 20 0 CDADMM Cc1nc([C@@H](C)NC(=O)c2ccc(C(=O)[O-])c(F)c2)n[nH]1 ZINC001610572692 1165361074 /nfs/dbraw/zinc/36/10/74/1165361074.db2.gz JXXFEXIRKJCNLN-ZCFIWIBFSA-N -1 1 292.270 1.441 20 0 CDADMM Cn1c(Cl)cnc1CN[C@H](CC(F)F)C(=O)[O-] ZINC001610598182 1165370771 /nfs/dbraw/zinc/37/07/71/1165370771.db2.gz BAPWAJXPCUTMIN-RXMQYKEDSA-N -1 1 267.663 1.272 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)Cn3ccnc3)[nH]c21 ZINC001610678042 1165404924 /nfs/dbraw/zinc/40/49/24/1165404924.db2.gz AKXZGUDZMDUNQL-UHFFFAOYSA-N -1 1 285.263 1.096 20 0 CDADMM O=C([O-])[C@H]1CSCCN(Cc2ccc(F)cn2)C1 ZINC001610748664 1165424582 /nfs/dbraw/zinc/42/45/82/1165424582.db2.gz KDFKCXZGFSCKPM-SECBINFHSA-N -1 1 270.329 1.470 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1ccc(-c2c[nH]cn2)cc1 ZINC001611380854 1165492024 /nfs/dbraw/zinc/49/20/24/1165492024.db2.gz ZVRYRSYNICFTHD-UHFFFAOYSA-N -1 1 269.264 1.758 20 0 CDADMM O=C(NCc1ncc[nH]1)c1ncc2ccccc2c1[O-] ZINC001633680690 1166443415 /nfs/dbraw/zinc/44/34/15/1166443415.db2.gz YBKZWQMLMRCXPG-UHFFFAOYSA-N -1 1 268.276 1.594 20 0 CDADMM O=C(CCF)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001633820157 1166452416 /nfs/dbraw/zinc/45/24/16/1166452416.db2.gz DNWBEXRLDIISII-UHFFFAOYSA-N -1 1 265.248 1.077 20 0 CDADMM O=Cc1cccc(Oc2ncccc2-c2nn[n-]n2)c1 ZINC000095221658 1166610430 /nfs/dbraw/zinc/61/04/30/1166610430.db2.gz LPJSFPRWPHMXKA-UHFFFAOYSA-N -1 1 267.248 1.867 20 0 CDADMM CCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC000095264211 1166616306 /nfs/dbraw/zinc/61/63/06/1166616306.db2.gz NLEBCDGQHVBVLT-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC000095264211 1166616311 /nfs/dbraw/zinc/61/63/11/1166616311.db2.gz NLEBCDGQHVBVLT-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CCCN(CCC)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC000095289680 1166617243 /nfs/dbraw/zinc/61/72/43/1166617243.db2.gz KIMYSXHKFPZPGA-UHFFFAOYSA-N -1 1 261.333 1.592 20 0 CDADMM CCCN(CCC)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC000095289680 1166617248 /nfs/dbraw/zinc/61/72/48/1166617248.db2.gz KIMYSXHKFPZPGA-UHFFFAOYSA-N -1 1 261.333 1.592 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(C)nc2c1cnn2C ZINC001641716210 1167132072 /nfs/dbraw/zinc/13/20/72/1167132072.db2.gz QKPQNVLDBPFAHC-UHFFFAOYSA-N -1 1 286.295 1.266 20 0 CDADMM Cn1nncc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001642154568 1167157416 /nfs/dbraw/zinc/15/74/16/1167157416.db2.gz GIJCQUAFRDUSHJ-UHFFFAOYSA-N -1 1 254.196 1.051 20 0 CDADMM O=C(c1ccccc1[O-])N1c2ccccc2C[C@@H]1CO ZINC001645181226 1167372491 /nfs/dbraw/zinc/37/24/91/1167372491.db2.gz SMTPXYCCBFUMRP-GFCCVEGCSA-N -1 1 269.300 1.956 20 0 CDADMM C[C@H]1CCc2n[nH]c(C(=O)[N-]S(=O)(=O)C(C)(C)C)c2C1 ZINC001646204459 1167694167 /nfs/dbraw/zinc/69/41/67/1167694167.db2.gz WYFBVYUNJZNMKT-QMMMGPOBSA-N -1 1 299.396 1.393 20 0 CDADMM Cn1[n-]cc2c(=NC(=O)N3CC[C@H]3C(C)(C)C)ccnc1-2 ZINC001646911093 1168248245 /nfs/dbraw/zinc/24/82/45/1168248245.db2.gz YOIQGCOSLKNXFQ-LBPRGKRZSA-N -1 1 287.367 1.994 20 0 CDADMM NC(=O)C[C@@H](NCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC001647417980 1168671188 /nfs/dbraw/zinc/67/11/88/1168671188.db2.gz XTFYFGFQPWCPDP-SECBINFHSA-N -1 1 291.134 1.412 20 0 CDADMM CCn1ncc(Cl)c1C(=O)Nc1ccncc1[O-] ZINC001648541781 1169137892 /nfs/dbraw/zinc/13/78/92/1169137892.db2.gz OBCGFCUUEVLTLM-UHFFFAOYSA-N -1 1 266.688 1.331 20 0 CDADMM CC(C)(C)[C@@H]1C[C@@H](NCc2nc(C(=O)[O-])n[nH]2)CS1 ZINC001573456125 1170662746 /nfs/dbraw/zinc/66/27/46/1170662746.db2.gz POJYHCPJFCDOTP-SFYZADRCSA-N -1 1 284.385 1.513 20 0 CDADMM CN(C([O-])=[NH+]c1ccncc1)c1cccc(CC(=O)[O-])c1 ZINC001573851905 1170805845 /nfs/dbraw/zinc/80/58/45/1170805845.db2.gz GQQVOIZXOCJHED-UHFFFAOYSA-N -1 1 285.303 1.799 20 0 CDADMM COc1ccccc1CCCN1CCO[C@@](C)(C(=O)[O-])C1 ZINC001574048957 1170871780 /nfs/dbraw/zinc/87/17/80/1170871780.db2.gz MZSPZJJSGSDBJC-MRXNPFEDSA-N -1 1 293.363 1.803 20 0 CDADMM Cc1cc(C(=O)N2CC[C@@H](c3[nH]ncc3C(=O)[O-])C2)on1 ZINC001574126636 1170890996 /nfs/dbraw/zinc/89/09/96/1170890996.db2.gz BMYLSNNVRTXGGV-MRVPVSSYSA-N -1 1 290.279 1.034 20 0 CDADMM Cc1ncc(C(=O)N2C3CCC(CC3)[C@H]2C(=O)[O-])[nH]1 ZINC001574182210 1170908231 /nfs/dbraw/zinc/90/82/31/1170908231.db2.gz JZEPIFDVOQAODM-AMUVOQDHSA-N -1 1 263.297 1.186 20 0 CDADMM O=C([O-])C1(CC(F)F)CCN(Cc2c[nH]nn2)CC1 ZINC001574352882 1170957650 /nfs/dbraw/zinc/95/76/50/1170957650.db2.gz KTGLNDFFZNYVHA-UHFFFAOYSA-N -1 1 274.271 1.127 20 0 CDADMM COc1ccc2c(c1)[C@H](C(=O)OCc1nn[n-]n1)CCC2 ZINC001650482452 1171115987 /nfs/dbraw/zinc/11/59/87/1171115987.db2.gz OUFBMJHPRFEOLA-LLVKDONJSA-N -1 1 288.307 1.372 20 0 CDADMM C[C@@H]1CN(c2ccnc(-c3nnn[n-]3)c2)Cc2cncnc21 ZINC001576367078 1171403284 /nfs/dbraw/zinc/40/32/84/1171403284.db2.gz XQWHJYYKQKRLBF-SECBINFHSA-N -1 1 294.322 1.175 20 0 CDADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)c2)Cc2cncnc21 ZINC001576367078 1171403290 /nfs/dbraw/zinc/40/32/90/1171403290.db2.gz XQWHJYYKQKRLBF-SECBINFHSA-N -1 1 294.322 1.175 20 0 CDADMM CC/C=C(\F)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001577182916 1171617322 /nfs/dbraw/zinc/61/73/22/1171617322.db2.gz USWLHRBTPQTAPL-BAQGIRSFSA-N -1 1 281.316 1.808 20 0 CDADMM CSc1ccc(CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001580235514 1172380429 /nfs/dbraw/zinc/38/04/29/1172380429.db2.gz SPPYIAALGHFWLJ-UHFFFAOYSA-N -1 1 299.363 1.991 20 0 CDADMM CSc1ccc(CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001580235514 1172380435 /nfs/dbraw/zinc/38/04/35/1172380435.db2.gz SPPYIAALGHFWLJ-UHFFFAOYSA-N -1 1 299.363 1.991 20 0 CDADMM C[C@]12CCCC[C@H]1CN2C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001580456921 1172440529 /nfs/dbraw/zinc/44/05/29/1172440529.db2.gz UFPRTFDMHQBFSX-XPTSAGLGSA-N -1 1 287.323 1.864 20 0 CDADMM C[C@]12CCCC[C@H]1CN2C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001580456921 1172440532 /nfs/dbraw/zinc/44/05/32/1172440532.db2.gz UFPRTFDMHQBFSX-XPTSAGLGSA-N -1 1 287.323 1.864 20 0 CDADMM Fc1ccc(C2CN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001581854254 1172624438 /nfs/dbraw/zinc/62/44/38/1172624438.db2.gz PEUDKZTYIBOBHV-UHFFFAOYSA-N -1 1 297.297 1.400 20 0 CDADMM Fc1ccc(C2CN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001581854254 1172624442 /nfs/dbraw/zinc/62/44/42/1172624442.db2.gz PEUDKZTYIBOBHV-UHFFFAOYSA-N -1 1 297.297 1.400 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1Cc1ncccc1Cl ZINC001582806336 1172692746 /nfs/dbraw/zinc/69/27/46/1172692746.db2.gz NNBDYPAMIFWKQC-UHFFFAOYSA-N -1 1 288.698 1.125 20 0 CDADMM CC(C)(/C=C\Cl)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589264556 1173132452 /nfs/dbraw/zinc/13/24/52/1173132452.db2.gz XKDUAJSLMBYVFD-WAYWQWQTSA-N -1 1 281.703 1.721 20 0 CDADMM CC(C)(/C=C\Cl)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589264556 1173132457 /nfs/dbraw/zinc/13/24/57/1173132457.db2.gz XKDUAJSLMBYVFD-WAYWQWQTSA-N -1 1 281.703 1.721 20 0 CDADMM CC(C)[C@]1(C)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589491952 1173151070 /nfs/dbraw/zinc/15/10/70/1173151070.db2.gz XRXCOLQEQWOLGQ-MFKMUULPSA-N -1 1 275.312 1.624 20 0 CDADMM CC(C)[C@]1(C)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589491952 1173151071 /nfs/dbraw/zinc/15/10/71/1173151071.db2.gz XRXCOLQEQWOLGQ-MFKMUULPSA-N -1 1 275.312 1.624 20 0 CDADMM CC(C)[C@@H]1CCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589511067 1173153107 /nfs/dbraw/zinc/15/31/07/1173153107.db2.gz SPRNUBWAZMQHNN-VIFPVBQESA-N -1 1 261.285 1.330 20 0 CDADMM CC(C)[C@@H]1CCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589511067 1173153112 /nfs/dbraw/zinc/15/31/12/1173153112.db2.gz SPRNUBWAZMQHNN-VIFPVBQESA-N -1 1 261.285 1.330 20 0 CDADMM CC(C)c1nn(C)cc1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001589777511 1173179518 /nfs/dbraw/zinc/17/95/18/1173179518.db2.gz CXEYACSMDBQZLW-UHFFFAOYSA-N -1 1 285.315 1.257 20 0 CDADMM CC(C)c1nn(C)cc1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001589777511 1173179519 /nfs/dbraw/zinc/17/95/19/1173179519.db2.gz CXEYACSMDBQZLW-UHFFFAOYSA-N -1 1 285.315 1.257 20 0 CDADMM C[C@@H](CC1CCC1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589802637 1173185382 /nfs/dbraw/zinc/18/53/82/1173185382.db2.gz YOVJLSQBGGZKSV-VIFPVBQESA-N -1 1 286.339 1.570 20 0 CDADMM C[C@@H](CC1CCC1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589802637 1173185386 /nfs/dbraw/zinc/18/53/86/1173185386.db2.gz YOVJLSQBGGZKSV-VIFPVBQESA-N -1 1 286.339 1.570 20 0 CDADMM CC(F)(F)CNCc1cccc(-c2nnn[n-]2)n1 ZINC001589908479 1173200112 /nfs/dbraw/zinc/20/01/12/1173200112.db2.gz NXDKKJNIMGWNAN-UHFFFAOYSA-N -1 1 254.244 1.007 20 0 CDADMM CC(F)(F)CNCc1cccc(-c2nn[n-]n2)n1 ZINC001589908479 1173200117 /nfs/dbraw/zinc/20/01/17/1173200117.db2.gz NXDKKJNIMGWNAN-UHFFFAOYSA-N -1 1 254.244 1.007 20 0 CDADMM C[C@@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)C(F)F ZINC001589981881 1173222077 /nfs/dbraw/zinc/22/20/77/1173222077.db2.gz UUJBJMVVLIDHED-RXMQYKEDSA-N -1 1 281.270 1.600 20 0 CDADMM C[C@@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)C(F)F ZINC001589981881 1173222073 /nfs/dbraw/zinc/22/20/73/1173222073.db2.gz UUJBJMVVLIDHED-RXMQYKEDSA-N -1 1 281.270 1.600 20 0 CDADMM CC1(C)CO[C@@H](COc2cccnc2-c2nnn[n-]2)C1 ZINC001590111685 1173259519 /nfs/dbraw/zinc/25/95/19/1173259519.db2.gz SMZWAUJMNWBAOQ-SECBINFHSA-N -1 1 275.312 1.456 20 0 CDADMM CC1(C)CO[C@@H](COc2cccnc2-c2nn[n-]n2)C1 ZINC001590111685 1173259527 /nfs/dbraw/zinc/25/95/27/1173259527.db2.gz SMZWAUJMNWBAOQ-SECBINFHSA-N -1 1 275.312 1.456 20 0 CDADMM CC1(COC(=O)c2cccc(-c3nnn[n-]3)n2)CCCC1 ZINC001590135395 1173270673 /nfs/dbraw/zinc/27/06/73/1173270673.db2.gz CICWZHGRZYBNOY-UHFFFAOYSA-N -1 1 287.323 1.999 20 0 CDADMM CC1(COC(=O)c2cccc(-c3nn[n-]n3)n2)CCCC1 ZINC001590135395 1173270682 /nfs/dbraw/zinc/27/06/82/1173270682.db2.gz CICWZHGRZYBNOY-UHFFFAOYSA-N -1 1 287.323 1.999 20 0 CDADMM C[C@H]1C[C@H]1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590216783 1173296535 /nfs/dbraw/zinc/29/65/35/1173296535.db2.gz YVAPPNAWGOUMBG-POYBYMJQSA-N -1 1 293.277 1.417 20 0 CDADMM C[C@H]1C[C@H]1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590216783 1173296539 /nfs/dbraw/zinc/29/65/39/1173296539.db2.gz YVAPPNAWGOUMBG-POYBYMJQSA-N -1 1 293.277 1.417 20 0 CDADMM CC[C@H](C)[C@@H](O)CNc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001590401353 1173392128 /nfs/dbraw/zinc/39/21/28/1173392128.db2.gz YCECGCPIJZRNLC-UFBFGSQYSA-N -1 1 276.344 1.389 20 0 CDADMM CC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)oc1C)C(C)(C)O ZINC001590458916 1173416723 /nfs/dbraw/zinc/41/67/23/1173416723.db2.gz DGOLXNVBRBCGCZ-SNVBAGLBSA-N -1 1 293.327 1.047 20 0 CDADMM CC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)oc1C)C(C)(C)O ZINC001590458916 1173416729 /nfs/dbraw/zinc/41/67/29/1173416729.db2.gz DGOLXNVBRBCGCZ-SNVBAGLBSA-N -1 1 293.327 1.047 20 0 CDADMM CCCOc1cccc(Cn2cc(-c3nn[n-]n3)nn2)c1 ZINC001590647352 1173484046 /nfs/dbraw/zinc/48/40/46/1173484046.db2.gz UPWUNHYFOZXOOO-UHFFFAOYSA-N -1 1 285.311 1.295 20 0 CDADMM CCOC(=O)[C@H](CC)Sc1cccnc1-c1nnn[n-]1 ZINC001590752666 1173506731 /nfs/dbraw/zinc/50/67/31/1173506731.db2.gz OECYOVWAJJTLEY-QMMMGPOBSA-N -1 1 293.352 1.696 20 0 CDADMM CCOC(=O)[C@H](CC)Sc1cccnc1-c1nn[n-]n1 ZINC001590752666 1173506739 /nfs/dbraw/zinc/50/67/39/1173506739.db2.gz OECYOVWAJJTLEY-QMMMGPOBSA-N -1 1 293.352 1.696 20 0 CDADMM CCOC1CC(COc2cccnc2-c2nnn[n-]2)C1 ZINC001590788175 1173509293 /nfs/dbraw/zinc/50/92/93/1173509293.db2.gz KIPADHICSBQZCD-UHFFFAOYSA-N -1 1 275.312 1.456 20 0 CDADMM CCOC1CC(COc2cccnc2-c2nn[n-]n2)C1 ZINC001590788175 1173509297 /nfs/dbraw/zinc/50/92/97/1173509297.db2.gz KIPADHICSBQZCD-UHFFFAOYSA-N -1 1 275.312 1.456 20 0 CDADMM CC[C@@H]1C[C@H]1CNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590859856 1173530250 /nfs/dbraw/zinc/53/02/50/1173530250.db2.gz AUIIPKVZCPVTMC-SFYZADRCSA-N -1 1 277.353 1.704 20 0 CDADMM CC[C@@H]1C[C@H]1CNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590859856 1173530256 /nfs/dbraw/zinc/53/02/56/1173530256.db2.gz AUIIPKVZCPVTMC-SFYZADRCSA-N -1 1 277.353 1.704 20 0 CDADMM CCc1coc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001590901410 1173537866 /nfs/dbraw/zinc/53/78/66/1173537866.db2.gz ARBZFJWFNFQNPC-UHFFFAOYSA-N -1 1 285.267 1.064 20 0 CDADMM CCc1coc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001590901410 1173537869 /nfs/dbraw/zinc/53/78/69/1173537869.db2.gz ARBZFJWFNFQNPC-UHFFFAOYSA-N -1 1 285.267 1.064 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H]2C)n1 ZINC001590906635 1173538637 /nfs/dbraw/zinc/53/86/37/1173538637.db2.gz SWTDFNSOHXOGOZ-QMMMGPOBSA-N -1 1 259.317 1.208 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H]2C)n1 ZINC001590906635 1173538642 /nfs/dbraw/zinc/53/86/42/1173538642.db2.gz SWTDFNSOHXOGOZ-QMMMGPOBSA-N -1 1 259.317 1.208 20 0 CDADMM CCc1nc(N[C@@H](C)c2ccc[nH]2)cc(-c2nnn[n-]2)n1 ZINC001590917415 1173544887 /nfs/dbraw/zinc/54/48/87/1173544887.db2.gz VJOUHHJPFTZOPC-QMMMGPOBSA-N -1 1 284.327 1.720 20 0 CDADMM CCc1nc(N[C@@H](C)c2ccc[nH]2)cc(-c2nn[n-]n2)n1 ZINC001590917415 1173544891 /nfs/dbraw/zinc/54/48/91/1173544891.db2.gz VJOUHHJPFTZOPC-QMMMGPOBSA-N -1 1 284.327 1.720 20 0 CDADMM CN(C[C@@H]1CC1(C)C)c1cc(-c2nnn[n-]2)ncn1 ZINC001591053970 1173564335 /nfs/dbraw/zinc/56/43/35/1173564335.db2.gz YMVHOFMSVBQBTQ-QMMMGPOBSA-N -1 1 259.317 1.139 20 0 CDADMM CN(C[C@@H]1CC1(C)C)c1cc(-c2nn[n-]n2)ncn1 ZINC001591053970 1173564339 /nfs/dbraw/zinc/56/43/39/1173564339.db2.gz YMVHOFMSVBQBTQ-QMMMGPOBSA-N -1 1 259.317 1.139 20 0 CDADMM CN(C[C@H]1CCCC[C@@H]1O)c1cccnc1-c1nnn[n-]1 ZINC001591056938 1173567623 /nfs/dbraw/zinc/56/76/23/1173567623.db2.gz UWHJGESQJBTNRM-PWSUYJOCSA-N -1 1 288.355 1.249 20 0 CDADMM CN(C[C@H]1CCCC[C@@H]1O)c1cccnc1-c1nn[n-]n1 ZINC001591056938 1173567626 /nfs/dbraw/zinc/56/76/26/1173567626.db2.gz UWHJGESQJBTNRM-PWSUYJOCSA-N -1 1 288.355 1.249 20 0 CDADMM CN(C[C@@H]1CC=CCC1)c1cc(-c2nnn[n-]2)ncn1 ZINC001591054216 1173568883 /nfs/dbraw/zinc/56/88/83/1173568883.db2.gz AIQHBVSWBTUBJE-SNVBAGLBSA-N -1 1 271.328 1.449 20 0 CDADMM COCC(C)(C)CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591369581 1173633668 /nfs/dbraw/zinc/63/36/68/1173633668.db2.gz SQCMFMVVBJJOJO-UHFFFAOYSA-N -1 1 295.368 1.331 20 0 CDADMM COCC1(CCNc2cccnc2-c2nnn[n-]2)CC1 ZINC001591388013 1173639474 /nfs/dbraw/zinc/63/94/74/1173639474.db2.gz OTBQTSKGELMSOC-UHFFFAOYSA-N -1 1 274.328 1.490 20 0 CDADMM COCC1(CCNc2cccnc2-c2nn[n-]n2)CC1 ZINC001591388013 1173639477 /nfs/dbraw/zinc/63/94/77/1173639477.db2.gz OTBQTSKGELMSOC-UHFFFAOYSA-N -1 1 274.328 1.490 20 0 CDADMM COCc1nc(C)cc(Oc2cccnc2-c2nnn[n-]2)n1 ZINC001591460383 1173654785 /nfs/dbraw/zinc/65/47/85/1173654785.db2.gz SGJHFLBYQLVAKQ-UHFFFAOYSA-N -1 1 299.294 1.299 20 0 CDADMM COCc1nc(C)cc(Oc2cccnc2-c2nn[n-]n2)n1 ZINC001591460383 1173654790 /nfs/dbraw/zinc/65/47/90/1173654790.db2.gz SGJHFLBYQLVAKQ-UHFFFAOYSA-N -1 1 299.294 1.299 20 0 CDADMM COc1cccc(CCNc2cccnc2-c2nnn[n-]2)c1 ZINC001591635243 1173677234 /nfs/dbraw/zinc/67/72/34/1173677234.db2.gz OCJDNIADZBUDNO-UHFFFAOYSA-N -1 1 296.334 1.925 20 0 CDADMM COc1cccc(CCNc2cccnc2-c2nn[n-]n2)c1 ZINC001591635243 1173677239 /nfs/dbraw/zinc/67/72/39/1173677239.db2.gz OCJDNIADZBUDNO-UHFFFAOYSA-N -1 1 296.334 1.925 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C)C(O)[C@@H](C)C2)c1 ZINC001591884405 1173737973 /nfs/dbraw/zinc/73/79/73/1173737973.db2.gz YTULYMDOMDMHDF-UWVGGRQHSA-N -1 1 288.355 1.023 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](C)C(O)[C@@H](C)C2)c1 ZINC001591884405 1173737978 /nfs/dbraw/zinc/73/79/78/1173737978.db2.gz YTULYMDOMDMHDF-UWVGGRQHSA-N -1 1 288.355 1.023 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](C(C)C)C2)n1 ZINC001591885558 1173740118 /nfs/dbraw/zinc/74/01/18/1173740118.db2.gz SIBXCXQTSVLPDG-SNVBAGLBSA-N -1 1 273.344 1.447 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](C(C)C)C2)n1 ZINC001591885558 1173740122 /nfs/dbraw/zinc/74/01/22/1173740122.db2.gz SIBXCXQTSVLPDG-SNVBAGLBSA-N -1 1 273.344 1.447 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@]2(C)CCCCO2)n1 ZINC001591896115 1173741919 /nfs/dbraw/zinc/74/19/19/1173741919.db2.gz WHRSJIPBWNXFRZ-CYBMUJFWSA-N -1 1 289.343 1.336 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@]2(C)CCCCO2)n1 ZINC001591896115 1173741927 /nfs/dbraw/zinc/74/19/27/1173741927.db2.gz WHRSJIPBWNXFRZ-CYBMUJFWSA-N -1 1 289.343 1.336 20 0 CDADMM Cc1cc(C)cc(CNc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001591951138 1173753793 /nfs/dbraw/zinc/75/37/93/1173753793.db2.gz LBERVWHCBJDDNV-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1cc(C)cc(CNc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001591951138 1173753799 /nfs/dbraw/zinc/75/37/99/1173753799.db2.gz LBERVWHCBJDDNV-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1cc(N(C)C[C@@H]2CCCO2)cc(-c2nnn[n-]2)n1 ZINC001591996979 1173766602 /nfs/dbraw/zinc/76/66/02/1173766602.db2.gz UJEAGGXIUDCIMD-NSHDSACASA-N -1 1 274.328 1.185 20 0 CDADMM Cc1cc(N(C)C[C@@H]2CCCO2)cc(-c2nn[n-]n2)n1 ZINC001591996979 1173766609 /nfs/dbraw/zinc/76/66/09/1173766609.db2.gz UJEAGGXIUDCIMD-NSHDSACASA-N -1 1 274.328 1.185 20 0 CDADMM Cc1cc(N(C)CCc2cnccn2)cc(-c2nnn[n-]2)n1 ZINC001591996692 1173768338 /nfs/dbraw/zinc/76/83/38/1173768338.db2.gz BPARKMGFOMMGTP-UHFFFAOYSA-N -1 1 296.338 1.039 20 0 CDADMM Cc1cc(N(C)CCc2cnccn2)cc(-c2nn[n-]n2)n1 ZINC001591996692 1173768341 /nfs/dbraw/zinc/76/83/41/1173768341.db2.gz BPARKMGFOMMGTP-UHFFFAOYSA-N -1 1 296.338 1.039 20 0 CDADMM Cc1cc(NCCN(C)CC(F)F)nc(-c2nnn[n-]2)c1 ZINC001592048540 1173787078 /nfs/dbraw/zinc/78/70/78/1173787078.db2.gz NEDMFCGOPIJNJZ-UHFFFAOYSA-N -1 1 297.313 1.179 20 0 CDADMM Cc1cc(NCCN(C)CC(F)F)nc(-c2nn[n-]n2)c1 ZINC001592048540 1173787087 /nfs/dbraw/zinc/78/70/87/1173787087.db2.gz NEDMFCGOPIJNJZ-UHFFFAOYSA-N -1 1 297.313 1.179 20 0 CDADMM Cc1ccc(N2CC[C@@]3(CCOC3)C2)c(-c2nnn[n-]2)n1 ZINC001592177698 1173826442 /nfs/dbraw/zinc/82/64/42/1173826442.db2.gz GBGOGUSBPPOMNI-CQSZACIVSA-N -1 1 286.339 1.187 20 0 CDADMM Cc1ccc(N2CC[C@@]3(CCOC3)C2)c(-c2nn[n-]n2)n1 ZINC001592177698 1173826446 /nfs/dbraw/zinc/82/64/46/1173826446.db2.gz GBGOGUSBPPOMNI-CQSZACIVSA-N -1 1 286.339 1.187 20 0 CDADMM Cc1ccc(NCC[C@@H]2CCOC2)nc1-c1nnn[n-]1 ZINC001592185505 1173830774 /nfs/dbraw/zinc/83/07/74/1173830774.db2.gz ALBOTNCSKAANSJ-SNVBAGLBSA-N -1 1 274.328 1.409 20 0 CDADMM Cc1ccc(NCC[C@@H]2CCOC2)nc1-c1nn[n-]n1 ZINC001592185505 1173830777 /nfs/dbraw/zinc/83/07/77/1173830777.db2.gz ALBOTNCSKAANSJ-SNVBAGLBSA-N -1 1 274.328 1.409 20 0 CDADMM Cc1cccc2c1CN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001592244802 1173835299 /nfs/dbraw/zinc/83/52/99/1173835299.db2.gz LHFMQAMUMIUPIB-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM Cc1cccc2c1CN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001592244802 1173835305 /nfs/dbraw/zinc/83/53/05/1173835305.db2.gz LHFMQAMUMIUPIB-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM Cc1cccc(CCNC(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001592229963 1173835714 /nfs/dbraw/zinc/83/57/14/1173835714.db2.gz UWTDAQRWTDYAKK-UHFFFAOYSA-N -1 1 298.306 1.136 20 0 CDADMM Cc1cccc(CCNC(=O)c2coc(-c3nn[n-]n3)c2)n1 ZINC001592229963 1173835718 /nfs/dbraw/zinc/83/57/18/1173835718.db2.gz UWTDAQRWTDYAKK-UHFFFAOYSA-N -1 1 298.306 1.136 20 0 CDADMM Cc1cccc(CN(C)c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001592229831 1173835819 /nfs/dbraw/zinc/83/58/19/1173835819.db2.gz DIKGDNKQRYNKOC-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1cccc(CN(C)c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001592229831 1173835821 /nfs/dbraw/zinc/83/58/21/1173835821.db2.gz DIKGDNKQRYNKOC-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1cccnc1[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001592264022 1173839736 /nfs/dbraw/zinc/83/97/36/1173839736.db2.gz MGRGNTIGVLUTIS-VIFPVBQESA-N -1 1 282.311 1.533 20 0 CDADMM Cc1cccnc1[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001592264022 1173839739 /nfs/dbraw/zinc/83/97/39/1173839739.db2.gz MGRGNTIGVLUTIS-VIFPVBQESA-N -1 1 282.311 1.533 20 0 CDADMM Cc1coc(COC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001592307598 1173851227 /nfs/dbraw/zinc/85/12/27/1173851227.db2.gz GRXXSNHIFUBXLM-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1coc(COC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001592307598 1173851234 /nfs/dbraw/zinc/85/12/34/1173851234.db2.gz GRXXSNHIFUBXLM-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1csc(CNCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001592315322 1173851467 /nfs/dbraw/zinc/85/14/67/1173851467.db2.gz GVJHCEYHYPKBHU-UHFFFAOYSA-N -1 1 293.381 1.378 20 0 CDADMM Cc1csc(CNCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001592315322 1173851471 /nfs/dbraw/zinc/85/14/71/1173851471.db2.gz GVJHCEYHYPKBHU-UHFFFAOYSA-N -1 1 293.381 1.378 20 0 CDADMM Cc1coc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001592308870 1173851917 /nfs/dbraw/zinc/85/19/17/1173851917.db2.gz XXQXWGCTKWILDL-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1coc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001592308870 1173851920 /nfs/dbraw/zinc/85/19/20/1173851920.db2.gz XXQXWGCTKWILDL-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@H]2C[C@H]3C=C[C@@H]2C3)c1C ZINC001592338936 1173859072 /nfs/dbraw/zinc/85/90/72/1173859072.db2.gz AYIIMNUICDLXPO-QJPTWQEYSA-N -1 1 270.340 1.892 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@H]2C[C@H]3C=C[C@@H]2C3)c1C ZINC001592338936 1173859074 /nfs/dbraw/zinc/85/90/74/1173859074.db2.gz AYIIMNUICDLXPO-QJPTWQEYSA-N -1 1 270.340 1.892 20 0 CDADMM Cc1nc(NC[C@@H]2CCOC[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592387398 1173879875 /nfs/dbraw/zinc/87/98/75/1173879875.db2.gz LGVIXWCJJMZDAB-WPRPVWTQSA-N -1 1 289.343 1.050 20 0 CDADMM Cc1nc(NC[C@@H]2CCOC[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592387398 1173879878 /nfs/dbraw/zinc/87/98/78/1173879878.db2.gz LGVIXWCJJMZDAB-WPRPVWTQSA-N -1 1 289.343 1.050 20 0 CDADMM Cc1nnsc1C[NH2+]Cc1csc(-c2nn[nH]n2)c1 ZINC001592454135 1173894055 /nfs/dbraw/zinc/89/40/55/1173894055.db2.gz LOLAIHHHQXSQJV-UHFFFAOYSA-N -1 1 293.381 1.378 20 0 CDADMM Cc1ccc(Oc2nnc(C)c(C)c2-c2nnn[n-]2)c[n+]1[O-] ZINC001592449146 1173895016 /nfs/dbraw/zinc/89/50/16/1173895016.db2.gz CIQVRJGWILGYCV-UHFFFAOYSA-N -1 1 299.294 1.008 20 0 CDADMM Cc1ccc(Oc2nnc(C)c(C)c2-c2nn[n-]n2)c[n+]1[O-] ZINC001592449146 1173895020 /nfs/dbraw/zinc/89/50/20/1173895020.db2.gz CIQVRJGWILGYCV-UHFFFAOYSA-N -1 1 299.294 1.008 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC(CC2CC2)C1 ZINC001592497279 1173904463 /nfs/dbraw/zinc/90/44/63/1173904463.db2.gz XCBYSEZACJJCDG-UHFFFAOYSA-N -1 1 287.323 1.640 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC(CC2CC2)C1 ZINC001592497279 1173904468 /nfs/dbraw/zinc/90/44/68/1173904468.db2.gz XCBYSEZACJJCDG-UHFFFAOYSA-N -1 1 287.323 1.640 20 0 CDADMM Clc1nc(Cn2ccnc2-c2nnn[n-]2)cs1 ZINC001592540071 1173914741 /nfs/dbraw/zinc/91/47/41/1173914741.db2.gz FGZRFNXRSQIDHL-UHFFFAOYSA-N -1 1 267.705 1.221 20 0 CDADMM Clc1nc(Cn2ccnc2-c2nn[n-]n2)cs1 ZINC001592540071 1173914752 /nfs/dbraw/zinc/91/47/52/1173914752.db2.gz FGZRFNXRSQIDHL-UHFFFAOYSA-N -1 1 267.705 1.221 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OC1CCCCC1 ZINC001592915240 1174002359 /nfs/dbraw/zinc/00/23/59/1174002359.db2.gz SOKMLLKKYHYHHE-UHFFFAOYSA-N -1 1 287.323 1.680 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OC1CCCCC1 ZINC001592915240 1174002363 /nfs/dbraw/zinc/00/23/63/1174002363.db2.gz SOKMLLKKYHYHHE-UHFFFAOYSA-N -1 1 287.323 1.680 20 0 CDADMM O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)c1csc(-c2nn[n-]n2)c1 ZINC001592973365 1174010031 /nfs/dbraw/zinc/01/00/31/1174010031.db2.gz UHJQIBMKFPHVEU-FXBDTBDDSA-N -1 1 289.364 1.847 20 0 CDADMM O=C(NCC1(C2CC2)CCC1)c1coc(-c2nnn[n-]2)c1 ZINC001593016691 1174012526 /nfs/dbraw/zinc/01/25/26/1174012526.db2.gz ZQMLIHQDLCEQSV-UHFFFAOYSA-N -1 1 287.323 1.770 20 0 CDADMM O=C(NCC1(C2CC2)CCC1)c1coc(-c2nn[n-]n2)c1 ZINC001593016691 1174012534 /nfs/dbraw/zinc/01/25/34/1174012534.db2.gz ZQMLIHQDLCEQSV-UHFFFAOYSA-N -1 1 287.323 1.770 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cc(F)c[nH]1 ZINC001593136307 1174025061 /nfs/dbraw/zinc/02/50/61/1174025061.db2.gz JWSQXWIMENGOGK-UHFFFAOYSA-N -1 1 292.299 1.325 20 0 CDADMM O=C(NC[C@@H]1C[C@H]1C1CCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593111317 1174025110 /nfs/dbraw/zinc/02/51/10/1174025110.db2.gz WYOFEQVMYIBXLE-QWRGUYRKSA-N -1 1 298.350 1.428 20 0 CDADMM O=C(NC[C@@H]1C[C@H]1C1CCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593111317 1174025117 /nfs/dbraw/zinc/02/51/17/1174025117.db2.gz WYOFEQVMYIBXLE-QWRGUYRKSA-N -1 1 298.350 1.428 20 0 CDADMM O=C(NCc1cccc(O)c1)c1ccc(-c2nnn[n-]2)o1 ZINC001593144579 1174026150 /nfs/dbraw/zinc/02/61/50/1174026150.db2.gz NCFRDWGXUFVYPD-UHFFFAOYSA-N -1 1 285.263 1.095 20 0 CDADMM O=C(NCc1cccc(O)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001593144579 1174026154 /nfs/dbraw/zinc/02/61/54/1174026154.db2.gz NCFRDWGXUFVYPD-UHFFFAOYSA-N -1 1 285.263 1.095 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C12CC(C1)C2 ZINC001593244500 1174039910 /nfs/dbraw/zinc/03/99/10/1174039910.db2.gz YOXCQAJNUWSRAE-UHFFFAOYSA-N -1 1 256.269 1.000 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C12CC(C1)C2 ZINC001593244500 1174039917 /nfs/dbraw/zinc/03/99/17/1174039917.db2.gz YOXCQAJNUWSRAE-UHFFFAOYSA-N -1 1 256.269 1.000 20 0 CDADMM O=C(OCC1(F)CC1)c1ccc(-c2nn[n-]n2)o1 ZINC001593282585 1174050005 /nfs/dbraw/zinc/05/00/05/1174050005.db2.gz COTBOYMVOKXMRG-UHFFFAOYSA-N -1 1 252.205 1.119 20 0 CDADMM O=c1ccc(CCNc2cccc(-c3nnn[n-]3)n2)c[nH]1 ZINC001593496514 1174086146 /nfs/dbraw/zinc/08/61/46/1174086146.db2.gz NAOFYBZPGRRCIJ-UHFFFAOYSA-N -1 1 283.295 1.017 20 0 CDADMM O=c1ccc(CCNc2cccc(-c3nn[n-]n3)n2)c[nH]1 ZINC001593496514 1174086151 /nfs/dbraw/zinc/08/61/51/1174086151.db2.gz NAOFYBZPGRRCIJ-UHFFFAOYSA-N -1 1 283.295 1.017 20 0 CDADMM O=c1c(-c2nn[n-]n2)c2c(cn1CCCCF)CCC2 ZINC001593492513 1174087231 /nfs/dbraw/zinc/08/72/31/1174087231.db2.gz SBFWJRIZPMDPHR-UHFFFAOYSA-N -1 1 277.303 1.267 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(-c2nc(-c3ccncc3)no2)c1 ZINC001593550340 1174122034 /nfs/dbraw/zinc/12/20/34/1174122034.db2.gz RPZNCVWKHNDYRU-UHFFFAOYSA-N -1 1 292.262 1.374 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(-c2nc(-c3ccncc3)no2)c1 ZINC001593550340 1174122040 /nfs/dbraw/zinc/12/20/40/1174122040.db2.gz RPZNCVWKHNDYRU-UHFFFAOYSA-N -1 1 292.262 1.374 20 0 CDADMM c1cc(-c2nn[n-]n2)sc1CSC1COC1 ZINC001593551333 1174124398 /nfs/dbraw/zinc/12/43/98/1174124398.db2.gz KKGSTWNXRLITCN-UHFFFAOYSA-N -1 1 254.340 1.560 20 0 CDADMM c1cc(NC[C@@H]2CCC[C@H]2C2CC2)cc(-c2nnn[n-]2)n1 ZINC001593558108 1174133659 /nfs/dbraw/zinc/13/36/59/1174133659.db2.gz JEPZRQNHRLWRJB-AAEUAGOBSA-N -1 1 284.367 1.922 20 0 CDADMM c1cc(NC[C@@H]2CCC[C@H]2C2CC2)cc(-c2nn[n-]n2)n1 ZINC001593558108 1174133665 /nfs/dbraw/zinc/13/36/65/1174133665.db2.gz JEPZRQNHRLWRJB-AAEUAGOBSA-N -1 1 284.367 1.922 20 0 CDADMM c1cc(N2CC[C@H]3CCCC[C@H]3C2)nc(-c2nn[n-]n2)n1 ZINC001593558829 1174134206 /nfs/dbraw/zinc/13/42/06/1174134206.db2.gz HPGBASWHLHFEOU-MNOVXSKESA-N -1 1 285.355 1.673 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CCC[C@H]3CCC[C@H]32)n1 ZINC001593590104 1174157831 /nfs/dbraw/zinc/15/78/31/1174157831.db2.gz GGUZKISCGKXVPA-MWLCHTKSSA-N -1 1 271.328 1.426 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CCC[C@H]3CCC[C@H]32)n1 ZINC001593590104 1174157836 /nfs/dbraw/zinc/15/78/36/1174157836.db2.gz GGUZKISCGKXVPA-MWLCHTKSSA-N -1 1 271.328 1.426 20 0 CDADMM c1cc(Nc2cc(-c3nnn[n-]3)ncn2)cc2c1COC2 ZINC001593592513 1174159970 /nfs/dbraw/zinc/15/99/70/1174159970.db2.gz ZWLZPQNKAPUMGT-UHFFFAOYSA-N -1 1 281.279 1.431 20 0 CDADMM c1cc(Nc2cc(-c3nn[n-]n3)ncn2)cc2c1COC2 ZINC001593592513 1174159973 /nfs/dbraw/zinc/15/99/73/1174159973.db2.gz ZWLZPQNKAPUMGT-UHFFFAOYSA-N -1 1 281.279 1.431 20 0 CDADMM CCC[C@@H](NC(=O)c1cn[nH]c1-c1ccccn1)C(=O)[O-] ZINC001595997207 1174223971 /nfs/dbraw/zinc/22/39/71/1174223971.db2.gz NDYXVEQXMDPRQY-LLVKDONJSA-N -1 1 288.307 1.455 20 0 CDADMM Cc1cn[nH]c1C[NH2+][C@@H](C(=O)[O-])c1cccc(O)c1 ZINC001600061680 1174350087 /nfs/dbraw/zinc/35/00/87/1174350087.db2.gz DFZGBJBCHJPZTD-GFCCVEGCSA-N -1 1 261.281 1.339 20 0 CDADMM Cc1cn[nH]c1CN[C@@H](C(=O)[O-])c1cccc(O)c1 ZINC001600061680 1174350095 /nfs/dbraw/zinc/35/00/95/1174350095.db2.gz DFZGBJBCHJPZTD-GFCCVEGCSA-N -1 1 261.281 1.339 20 0 CDADMM Cc1cc(CN2C[C@H](O)C[C@@H]2C(=O)[O-])cc2cccnc12 ZINC001600192770 1174399161 /nfs/dbraw/zinc/39/91/61/1174399161.db2.gz STPSOIMLURTONT-ZIAGYGMSSA-N -1 1 286.331 1.563 20 0 CDADMM Cc1ccc(NC(=O)CN2CC3CC2(C(=O)[O-])C3)cc1F ZINC001600447700 1174478304 /nfs/dbraw/zinc/47/83/04/1174478304.db2.gz SVMQGXHCTODYMQ-UHFFFAOYSA-N -1 1 292.310 1.622 20 0 CDADMM Cc1ccc(NCCN2C[C@H]3CC[C@@H](C2)O3)nc1C(=O)[O-] ZINC001600459503 1174482732 /nfs/dbraw/zinc/48/27/32/1174482732.db2.gz LQQNHTJJUOFRAF-TXEJJXNPSA-N -1 1 291.351 1.363 20 0 CDADMM Cc1cccc(CN2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)n1 ZINC001600532862 1174498661 /nfs/dbraw/zinc/49/86/61/1174498661.db2.gz YVXOCMNZXUUNLX-GFCCVEGCSA-N -1 1 287.323 1.127 20 0 CDADMM Cc1nonc1CN[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001600818875 1174627949 /nfs/dbraw/zinc/62/79/49/1174627949.db2.gz SCLQPILAYBHCMM-ZWNOBZJWSA-N -1 1 289.335 1.800 20 0 CDADMM Cc1oc(C(=O)[O-])cc1C(=O)OCc1nc(C(C)C)n[nH]1 ZINC001600828137 1174632667 /nfs/dbraw/zinc/63/26/67/1174632667.db2.gz JGRZFQNZQHAEOF-UHFFFAOYSA-N -1 1 293.279 1.885 20 0 CDADMM Cc1oc(C(=O)[O-])cc1C(=O)OCc1n[nH]c(C(C)C)n1 ZINC001600828137 1174632671 /nfs/dbraw/zinc/63/26/71/1174632671.db2.gz JGRZFQNZQHAEOF-UHFFFAOYSA-N -1 1 293.279 1.885 20 0 CDADMM Cn1ncc2c1CCCN([C@@H](C(=O)[O-])c1cccnc1)C2 ZINC001601030682 1174708691 /nfs/dbraw/zinc/70/86/91/1174708691.db2.gz NJLAXCKCMSDFGO-CQSZACIVSA-N -1 1 286.335 1.389 20 0 CDADMM Cn1nccc1CN[C@H](C(=O)[O-])c1cccc(O)c1 ZINC001601039427 1174712269 /nfs/dbraw/zinc/71/22/69/1174712269.db2.gz KNEYIPVKEIBURJ-LBPRGKRZSA-N -1 1 261.281 1.041 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)c1[nH]nc2c1CCCCC2 ZINC001601441217 1174871747 /nfs/dbraw/zinc/87/17/47/1174871747.db2.gz XEZIJNLZGODNDP-GHMZBOCLSA-N -1 1 291.351 1.662 20 0 CDADMM O=C([O-])[C@H](NCC1=NOCC1)c1ccc(Cl)c(F)c1 ZINC001601669598 1174937569 /nfs/dbraw/zinc/93/75/69/1174937569.db2.gz MKIGKWKIBUSMBB-LLVKDONJSA-N -1 1 286.690 1.971 20 0 CDADMM O=C([O-])[C@H]1[C@@H](O)CCCN1Cc1cc2ccncc2s1 ZINC001601755375 1174989657 /nfs/dbraw/zinc/98/96/57/1174989657.db2.gz PUTSHZPIRRKOIO-WCQYABFASA-N -1 1 292.360 1.706 20 0 CDADMM O=C([O-])[C@H]1CC(=O)N(CN2CC[C@@H](c3ccccc3)C2)C1 ZINC001601759515 1174993436 /nfs/dbraw/zinc/99/34/36/1174993436.db2.gz RHNAVUISGYRUGD-KGLIPLIRSA-N -1 1 288.347 1.367 20 0 CDADMM O=C([O-])C[C@@]1(NCc2scnc2Cl)CCCOC1 ZINC001601938097 1175074870 /nfs/dbraw/zinc/07/48/70/1175074870.db2.gz VPMJGAGVVRJSHC-NSHDSACASA-N -1 1 290.772 1.910 20 0 CDADMM O=C([O-])C[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC001601953639 1175085445 /nfs/dbraw/zinc/08/54/45/1175085445.db2.gz IIZDFXCXAPLOEM-MRVPVSSYSA-N -1 1 269.322 1.885 20 0 CDADMM O=C([O-])CC[C@@H]1CC[C@H](c2nc([C@H]3CCCN3)no2)O1 ZINC001602039507 1175115641 /nfs/dbraw/zinc/11/56/41/1175115641.db2.gz YFGYHPFNHPTKFP-IVZWLZJFSA-N -1 1 281.312 1.579 20 0 CDADMM O=C([O-])COc1ccc(NC(=O)CCc2cnc[nH]2)cc1 ZINC001602088219 1175127373 /nfs/dbraw/zinc/12/73/73/1175127373.db2.gz KQCNYZZWQHKNTC-UHFFFAOYSA-N -1 1 289.291 1.444 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](NCc2cn(Cc3ccccc3)nn2)C1 ZINC001602218356 1175172190 /nfs/dbraw/zinc/17/21/90/1175172190.db2.gz LZWVCXMWTXMRHU-BETUJISGSA-N -1 1 286.335 1.279 20 0 CDADMM O=C([O-])c1cc(CN[C@@H](c2nnc[nH]2)c2ccccc2)c[nH]1 ZINC001602260378 1175187617 /nfs/dbraw/zinc/18/76/17/1175187617.db2.gz QZOZTRTXVKNKKM-CYBMUJFWSA-N -1 1 297.318 1.710 20 0 CDADMM O=C([O-])c1cnc([C@@H]2CCCN(Cc3cn[nH]c3)C2)s1 ZINC001602510876 1175264396 /nfs/dbraw/zinc/26/43/96/1175264396.db2.gz JEIACTLAWJJFAW-SNVBAGLBSA-N -1 1 292.364 1.944 20 0 CDADMM C(=C\c1ccccc1)\CNc1ncncc1-c1nn[n-]n1 ZINC001602745674 1175382043 /nfs/dbraw/zinc/38/20/43/1175382043.db2.gz OFCQEDQERAPWMS-DAXSKMNVSA-N -1 1 279.307 1.782 20 0 CDADMM CC(C)(C)OC(=O)CSc1ccc(-c2nnn[n-]2)nn1 ZINC001603085309 1175488925 /nfs/dbraw/zinc/48/89/25/1175488925.db2.gz QFDHHFTWEAOKQT-UHFFFAOYSA-N -1 1 294.340 1.091 20 0 CDADMM CC(C)(C)OC(=O)CSc1ccc(-c2nn[n-]n2)nn1 ZINC001603085309 1175488928 /nfs/dbraw/zinc/48/89/28/1175488928.db2.gz QFDHHFTWEAOKQT-UHFFFAOYSA-N -1 1 294.340 1.091 20 0 CDADMM CC(C)(CNc1cc(-c2nnn[n-]2)ncn1)c1cccnc1 ZINC001603150701 1175502441 /nfs/dbraw/zinc/50/24/41/1175502441.db2.gz MHNMJRAPHOUZMU-UHFFFAOYSA-N -1 1 296.338 1.441 20 0 CDADMM CC(C)(CNc1cc(-c2nn[n-]n2)ncn1)c1cccnc1 ZINC001603150701 1175502448 /nfs/dbraw/zinc/50/24/48/1175502448.db2.gz MHNMJRAPHOUZMU-UHFFFAOYSA-N -1 1 296.338 1.441 20 0 CDADMM CC(C)[C@@H](C)OC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603211588 1175515749 /nfs/dbraw/zinc/51/57/49/1175515749.db2.gz RUHIMXVQHOELEC-SSDOTTSWSA-N -1 1 250.258 1.661 20 0 CDADMM CC(C)[C@@H](C)OC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001603211588 1175515760 /nfs/dbraw/zinc/51/57/60/1175515760.db2.gz RUHIMXVQHOELEC-SSDOTTSWSA-N -1 1 250.258 1.661 20 0 CDADMM CC(C)CON=c1ccc(Cl)c(-c2nnn[n-]2)[nH]1 ZINC001603302758 1175533462 /nfs/dbraw/zinc/53/34/62/1175533462.db2.gz HBPYAYJFFAQFPT-UHFFFAOYSA-N -1 1 268.708 1.915 20 0 CDADMM CC(C)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2=O ZINC001603313391 1175537250 /nfs/dbraw/zinc/53/72/50/1175537250.db2.gz LDRUIAHJJDPWBR-UHFFFAOYSA-N -1 1 287.323 1.203 20 0 CDADMM CC(C)N(CC(F)F)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603319227 1175538598 /nfs/dbraw/zinc/53/85/98/1175538598.db2.gz QQCWLAQHEOYKIB-UHFFFAOYSA-N -1 1 296.281 1.377 20 0 CDADMM CC(C)N(CC(F)F)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603319227 1175538604 /nfs/dbraw/zinc/53/86/04/1175538604.db2.gz QQCWLAQHEOYKIB-UHFFFAOYSA-N -1 1 296.281 1.377 20 0 CDADMM CC(C)(C)CCNC(=O)CN[C@H](C(=O)[O-])C(C)(C)C ZINC001603333309 1175542343 /nfs/dbraw/zinc/54/23/43/1175542343.db2.gz LCZVUSFLFISYOQ-LLVKDONJSA-N -1 1 272.389 1.628 20 0 CDADMM CC(C)(C)N1CC[C@@H]1C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC001603345007 1175545143 /nfs/dbraw/zinc/54/51/43/1175545143.db2.gz ZAYOAHLDSODNQO-JGVFFNPUSA-N -1 1 296.289 1.381 20 0 CDADMM CC(C)O[C@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001603357832 1175547224 /nfs/dbraw/zinc/54/72/24/1175547224.db2.gz BUFUWDUFRHDHCE-AOOOYVTPSA-N -1 1 274.328 1.630 20 0 CDADMM CC(C)O[C@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001603357832 1175547229 /nfs/dbraw/zinc/54/72/29/1175547229.db2.gz BUFUWDUFRHDHCE-AOOOYVTPSA-N -1 1 274.328 1.630 20 0 CDADMM C[C@@H](CCC1CC1)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603465587 1175555604 /nfs/dbraw/zinc/55/56/04/1175555604.db2.gz FWSWYFOIGOSSOQ-VIFPVBQESA-N -1 1 286.339 1.570 20 0 CDADMM C[C@@H](CCC1CC1)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603465587 1175555610 /nfs/dbraw/zinc/55/56/10/1175555610.db2.gz FWSWYFOIGOSSOQ-VIFPVBQESA-N -1 1 286.339 1.570 20 0 CDADMM CC(C)(NS(=O)(=O)c1occc1C(=O)[O-])C(F)F ZINC001603685340 1175598105 /nfs/dbraw/zinc/59/81/05/1175598105.db2.gz BRYXZMBJZWFLGR-UHFFFAOYSA-N -1 1 283.252 1.300 20 0 CDADMM C[C@H](O)C1(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC001603693668 1175601898 /nfs/dbraw/zinc/60/18/98/1175601898.db2.gz HKVWRSBICVKXSP-LURJTMIESA-N -1 1 280.719 1.240 20 0 CDADMM C[C@H](O)C1(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC001603693668 1175601903 /nfs/dbraw/zinc/60/19/03/1175601903.db2.gz HKVWRSBICVKXSP-LURJTMIESA-N -1 1 280.719 1.240 20 0 CDADMM CC1(C)COCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603791352 1175632597 /nfs/dbraw/zinc/63/25/97/1175632597.db2.gz HXLAROGJUAJMHD-UHFFFAOYSA-N -1 1 279.325 1.137 20 0 CDADMM CC(C)CN(CCC(=O)[O-])C(=O)[C@@H]1CCN1C(C)(C)C ZINC001603809595 1175639896 /nfs/dbraw/zinc/63/98/96/1175639896.db2.gz ZADMTBXNFJETPY-LBPRGKRZSA-N -1 1 284.400 1.819 20 0 CDADMM C[C@@]1(COC(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@@H]1F ZINC001603807622 1175640131 /nfs/dbraw/zinc/64/01/31/1175640131.db2.gz DNZNHWDQQIRDIT-CABZTGNLSA-N -1 1 277.259 1.167 20 0 CDADMM C[C@@]1(COC(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@@H]1F ZINC001603807622 1175640137 /nfs/dbraw/zinc/64/01/37/1175640137.db2.gz DNZNHWDQQIRDIT-CABZTGNLSA-N -1 1 277.259 1.167 20 0 CDADMM C[C@@H]1OCC[C@H]1COC(=O)c1ccsc1-c1nnn[n-]1 ZINC001603953950 1175697442 /nfs/dbraw/zinc/69/74/42/1175697442.db2.gz CYGCOUQPNXVNSP-YUMQZZPRSA-N -1 1 294.336 1.510 20 0 CDADMM C[C@@H]1OCC[C@H]1COC(=O)c1ccsc1-c1nn[n-]n1 ZINC001603953950 1175697443 /nfs/dbraw/zinc/69/74/43/1175697443.db2.gz CYGCOUQPNXVNSP-YUMQZZPRSA-N -1 1 294.336 1.510 20 0 CDADMM CC[C@@](C)(CNC(=O)c1cc(-c2nnn[n-]2)oc1C)OC ZINC001603986499 1175707794 /nfs/dbraw/zinc/70/77/94/1175707794.db2.gz CQPPQPRDUSMGGQ-ZDUSSCGKSA-N -1 1 293.327 1.313 20 0 CDADMM CC[C@@](C)(CNC(=O)c1cc(-c2nn[n-]n2)oc1C)OC ZINC001603986499 1175707802 /nfs/dbraw/zinc/70/78/02/1175707802.db2.gz 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363003210 /nfs/dbraw/zinc/00/32/10/363003210.db2.gz CELPZXKPTRTWDJ-NSHDSACASA-N -1 1 285.303 1.623 20 0 CDADMM C[C@H]1CCN(C(=O)c2csc(=NC3CC3)[n-]2)C[C@H]1CO ZINC000622226349 351086370 /nfs/dbraw/zinc/08/63/70/351086370.db2.gz WJACCCRGZMBXEA-UWVGGRQHSA-N -1 1 295.408 1.230 20 0 CDADMM COCCCCC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000622610653 351224486 /nfs/dbraw/zinc/22/44/86/351224486.db2.gz ZUZRCDCZVYJZQI-CYBMUJFWSA-N -1 1 289.339 1.222 20 0 CDADMM CC(C)[C@@H](C)C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000095195344 351387099 /nfs/dbraw/zinc/38/70/99/351387099.db2.gz DLGMKLSJJGQUJH-ZYHUDNBSSA-N -1 1 273.340 1.697 20 0 CDADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)C(=O)NC(C)(C)C ZINC000681024062 482660237 /nfs/dbraw/zinc/66/02/37/482660237.db2.gz HPECMDCLZFPLEJ-MRVPVSSYSA-N -1 1 282.315 1.564 20 0 CDADMM CC(C)c1ccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)nc1 ZINC000291598622 198046572 /nfs/dbraw/zinc/04/65/72/198046572.db2.gz FEDFRQFVDFRQIF-JTQLQIEISA-N -1 1 288.355 1.594 20 0 CDADMM 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/nfs/dbraw/zinc/38/85/45/1173388545.db2.gz IAOYERUBZVNGID-WCBMZHEXSA-N -1 1 277.332 1.130 20 0 CDADMM CC[C@H](C)[C@@H](CNc1cc(-c2nnn[n-]2)ncn1)OC ZINC001590399653 1173389006 /nfs/dbraw/zinc/38/90/06/1173389006.db2.gz JZBUAKQIVWOPKD-WCBMZHEXSA-N -1 1 277.332 1.130 20 0 CDADMM CC[C@H](C)[C@@H](CNc1cc(-c2nn[n-]n2)ncn1)OC ZINC001590399653 1173389011 /nfs/dbraw/zinc/38/90/11/1173389011.db2.gz JZBUAKQIVWOPKD-WCBMZHEXSA-N -1 1 277.332 1.130 20 0 CDADMM C[C@@H]1CN(C(=O)c2c(F)ccc([O-])c2F)C[C@H](C)O1 ZINC000280684468 288011783 /nfs/dbraw/zinc/01/17/83/288011783.db2.gz CZVIUKYUFRRHDL-OCAPTIKFSA-N -1 1 271.263 1.920 20 0 CDADMM CC[C@H](CC(F)F)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001590424540 1173405165 /nfs/dbraw/zinc/40/51/65/1173405165.db2.gz QVJVSSHASNACBJ-RXMQYKEDSA-N -1 1 285.258 1.210 20 0 CDADMM Cc1nnc([N-]C(=O)c2cc(F)cc3n[nH]nc32)s1 ZINC000337386487 279228774 /nfs/dbraw/zinc/22/87/74/279228774.db2.gz DHJGOZNFRCFPBU-UHFFFAOYSA-N -1 1 278.272 1.509 20 0 CDADMM O=C(NCCOC[C@H]1CCCO1)c1ccc(Cl)cc1[O-] ZINC000115716483 279343005 /nfs/dbraw/zinc/34/30/05/279343005.db2.gz FFQRYMOAVBHCFW-LLVKDONJSA-N -1 1 299.754 1.971 20 0 CDADMM CCC(CC)OC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590435712 1173408058 /nfs/dbraw/zinc/40/80/58/1173408058.db2.gz CMRWFTMQOLRXKV-UHFFFAOYSA-N -1 1 275.312 1.536 20 0 CDADMM CCC(CC)OC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590435712 1173408062 /nfs/dbraw/zinc/40/80/62/1173408062.db2.gz CMRWFTMQOLRXKV-UHFFFAOYSA-N -1 1 275.312 1.536 20 0 CDADMM CCOC(=O)[C@H](C)CNC(=O)c1c([O-])cccc1F ZINC000128549983 279571202 /nfs/dbraw/zinc/57/12/02/279571202.db2.gz JBIPNABQOOXXSX-MRVPVSSYSA-N -1 1 269.272 1.460 20 0 CDADMM CC1(C)[C@H](O)C[C@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC000129697130 279612761 /nfs/dbraw/zinc/61/27/61/279612761.db2.gz RPWDXPVEKDMRGL-GHMZBOCLSA-N -1 1 269.728 1.935 20 0 CDADMM C[C@@](NC(=O)Cc1[nH]nc2ccccc21)(C(=O)[O-])C1CC1 ZINC000237718842 280185836 /nfs/dbraw/zinc/18/58/36/280185836.db2.gz IOTKARGZUBVWGS-HNNXBMFYSA-N -1 1 287.319 1.475 20 0 CDADMM CC[C@@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)C(F)F ZINC001590460216 1173416047 /nfs/dbraw/zinc/41/60/47/1173416047.db2.gz ZJJONMSNBHMFKF-SSDOTTSWSA-N -1 1 282.254 1.035 20 0 CDADMM CC[C@@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)C(F)F ZINC001590460216 1173416050 /nfs/dbraw/zinc/41/60/50/1173416050.db2.gz ZJJONMSNBHMFKF-SSDOTTSWSA-N -1 1 282.254 1.035 20 0 CDADMM CC[C@H]1CN(C(=O)c2ncccc2[O-])CCCO1 ZINC000281798060 281155766 /nfs/dbraw/zinc/15/57/66/281155766.db2.gz WAXSHZRQDZNPHO-JTQLQIEISA-N -1 1 250.298 1.428 20 0 CDADMM NC(=O)N1CCC[C@@H](C(=O)Nc2cccc(F)c2[O-])C1 ZINC000530005698 281414041 /nfs/dbraw/zinc/41/40/41/281414041.db2.gz KVSDVXNPMMDOSS-MRVPVSSYSA-N -1 1 281.287 1.261 20 0 CDADMM C[C@@H]1C[C@@H](C)CN(C(=O)CNC2(C(=O)[O-])CCCC2)C1 ZINC000532881220 282060012 /nfs/dbraw/zinc/06/00/12/282060012.db2.gz DUBSZLOGQUSRDQ-VXGBXAGGSA-N -1 1 282.384 1.478 20 0 CDADMM NC(=O)C1(NC(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000150738382 289071436 /nfs/dbraw/zinc/07/14/36/289071436.db2.gz IFEZKVXNDHEICC-UHFFFAOYSA-N -1 1 270.288 1.293 20 0 CDADMM C[C@@]1(NC(=O)c2cc(Cl)ccc2[O-])CCOC1=O ZINC000291531986 289197846 /nfs/dbraw/zinc/19/78/46/289197846.db2.gz ZYGNBTYZXXMAJJ-GFCCVEGCSA-N -1 1 269.684 1.481 20 0 CDADMM O=C(C=Cc1ccccc1Br)Nc1nnn[n-]1 ZINC000255543272 289375464 /nfs/dbraw/zinc/37/54/64/289375464.db2.gz NOFXGAXKLABGNR-WAYWQWQTSA-N -1 1 294.112 1.614 20 0 CDADMM O=C(C=Cc1ccccc1Br)Nc1nn[n-]n1 ZINC000255543272 289375467 /nfs/dbraw/zinc/37/54/67/289375467.db2.gz NOFXGAXKLABGNR-WAYWQWQTSA-N -1 1 294.112 1.614 20 0 CDADMM CCOc1cccc(S(=O)(=O)[N-]c2cnc[nH]2)c1 ZINC000551174497 290001611 /nfs/dbraw/zinc/00/16/11/290001611.db2.gz XDQKMEBIFJOFRX-UHFFFAOYSA-N -1 1 267.310 1.609 20 0 CDADMM O=c1nc(NCC2(c3ccccn3)CCC2)nc2[nH][n-]cc1-2 ZINC000553723962 290134003 /nfs/dbraw/zinc/13/40/03/290134003.db2.gz YFGGNJWBYJLYOJ-UHFFFAOYSA-N -1 1 296.334 1.361 20 0 CDADMM Cc1nsc(N2CCN(Cc3ncccc3[O-])CC2)n1 ZINC000554855903 290194655 /nfs/dbraw/zinc/19/46/55/290194655.db2.gz 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/nfs/dbraw/zinc/33/61/38/293336138.db2.gz CZQOEHXJGPFHOV-SECBINFHSA-N -1 1 281.381 1.753 20 0 CDADMM CCC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001590571396 1173465484 /nfs/dbraw/zinc/46/54/84/1173465484.db2.gz APWJUDXAMNZIJF-VIFPVBQESA-N -1 1 259.317 1.426 20 0 CDADMM CCCc1cc(=O)n(-c2oc(C)nc2-c2nn[nH]n2)[n-]1 ZINC001590567752 1173465500 /nfs/dbraw/zinc/46/55/00/1173465500.db2.gz RPCRNBWICLGFLF-UHFFFAOYSA-N -1 1 275.272 1.056 20 0 CDADMM COCC1(CN=c2[nH]c(C(=O)[O-])co2)CCCCC1 ZINC000570336439 294219665 /nfs/dbraw/zinc/21/96/65/294219665.db2.gz ZWZKYJLBLBAPSS-UHFFFAOYSA-N -1 1 268.313 1.804 20 0 CDADMM CNC(=O)c1ccc(=NC[C@@H]2CCOC3(CCC3)C2)[n-]n1 ZINC000570520916 294255722 /nfs/dbraw/zinc/25/57/22/294255722.db2.gz LFASKRFOMPTCKX-LLVKDONJSA-N -1 1 290.367 1.019 20 0 CDADMM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(C)cn1 ZINC000573242915 294780809 /nfs/dbraw/zinc/78/08/09/294780809.db2.gz LPKZKYLGZKVHOV-UHFFFAOYSA-N -1 1 281.337 1.473 20 0 CDADMM CCOCCN(C)c1nc(-c2nn[n-]n2)ccc1C ZINC001590811624 1173520219 /nfs/dbraw/zinc/52/02/19/1173520219.db2.gz BGRVREUSRWJNRR-UHFFFAOYSA-N -1 1 262.317 1.043 20 0 CDADMM COC(=O)CN(Cc1ccc(-c2nnn[n-]2)o1)CC(C)C ZINC001591267129 1173600327 /nfs/dbraw/zinc/60/03/27/1173600327.db2.gz OGVFLZSUJCIEKZ-UHFFFAOYSA-N -1 1 293.327 1.091 20 0 CDADMM COC(=O)CN(Cc1ccc(-c2nn[n-]n2)o1)CC(C)C ZINC001591267129 1173600329 /nfs/dbraw/zinc/60/03/29/1173600329.db2.gz OGVFLZSUJCIEKZ-UHFFFAOYSA-N -1 1 293.327 1.091 20 0 CDADMM COC1(CCOc2cccnc2-c2nnn[n-]2)CCC1 ZINC001591341259 1173621056 /nfs/dbraw/zinc/62/10/56/1173621056.db2.gz PNBYFHSKGCUSQV-UHFFFAOYSA-N -1 1 275.312 1.600 20 0 CDADMM COC1(CCOc2cccnc2-c2nn[n-]n2)CCC1 ZINC001591341259 1173621061 /nfs/dbraw/zinc/62/10/61/1173621061.db2.gz PNBYFHSKGCUSQV-UHFFFAOYSA-N -1 1 275.312 1.600 20 0 CDADMM COC[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)o1)C(C)C ZINC001591376811 1173637152 /nfs/dbraw/zinc/63/71/52/1173637152.db2.gz XCFOLBYUXVJKQZ-VIFPVBQESA-N -1 1 293.327 1.108 20 0 CDADMM COC[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)o1)C(C)C ZINC001591376811 1173637156 /nfs/dbraw/zinc/63/71/56/1173637156.db2.gz XCFOLBYUXVJKQZ-VIFPVBQESA-N -1 1 293.327 1.108 20 0 CDADMM CS[C@@H](C)COC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591689273 1173681245 /nfs/dbraw/zinc/68/12/45/1173681245.db2.gz JKHCDWJGWFRTGJ-LURJTMIESA-N -1 1 268.298 1.368 20 0 CDADMM CS[C@@H](C)COC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591689273 1173681249 /nfs/dbraw/zinc/68/12/49/1173681249.db2.gz JKHCDWJGWFRTGJ-LURJTMIESA-N -1 1 268.298 1.368 20 0 CDADMM CSC1(COC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC001591692214 1173683951 /nfs/dbraw/zinc/68/39/51/1173683951.db2.gz OWWYVXWHQYICTF-UHFFFAOYSA-N -1 1 296.377 1.981 20 0 CDADMM CSC1(COC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC001591692214 1173683959 /nfs/dbraw/zinc/68/39/59/1173683959.db2.gz OWWYVXWHQYICTF-UHFFFAOYSA-N -1 1 296.377 1.981 20 0 CDADMM CSC[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591694839 1173684335 /nfs/dbraw/zinc/68/43/35/1173684335.db2.gz UGRLDDTUQYBMQW-SSDOTTSWSA-N -1 1 278.341 1.199 20 0 CDADMM CSC[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591694839 1173684337 /nfs/dbraw/zinc/68/43/37/1173684337.db2.gz UGRLDDTUQYBMQW-SSDOTTSWSA-N -1 1 278.341 1.199 20 0 CDADMM CSCC1(CC(=O)Nc2c[nH]nc2-c2nn[n-]n2)CC1 ZINC001591695876 1173684473 /nfs/dbraw/zinc/68/44/73/1173684473.db2.gz MDZCVPYSBLXJSM-UHFFFAOYSA-N -1 1 293.356 1.062 20 0 CDADMM C[C@@H](NC(=O)c1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001591729536 1173690864 /nfs/dbraw/zinc/69/08/64/1173690864.db2.gz YGKHIXOPRYUJFC-SSDOTTSWSA-N -1 1 275.287 1.534 20 0 CDADMM C[C@@H](NC(=O)c1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001591729536 1173690866 /nfs/dbraw/zinc/69/08/66/1173690866.db2.gz YGKHIXOPRYUJFC-SSDOTTSWSA-N -1 1 275.287 1.534 20 0 CDADMM CC(=O)N1CC[C@@H](c2nc(-c3ccc([O-])cc3F)no2)C1 ZINC000350821085 316209016 /nfs/dbraw/zinc/20/90/16/316209016.db2.gz ZQZXWLDIOULCDN-SECBINFHSA-N -1 1 291.282 1.917 20 0 CDADMM Cc1o[n-]c(=N)c1S(=O)(=O)N1CCC(C(F)F)CC1 ZINC000575756911 317009406 /nfs/dbraw/zinc/00/94/06/317009406.db2.gz VVSYYOSRVAKYQS-UHFFFAOYSA-N -1 1 295.311 1.061 20 0 CDADMM CN(C(=O)c1cc(F)ccc1[O-])[C@H]1CCC(=O)N(C)C1 ZINC000577638847 317374774 /nfs/dbraw/zinc/37/47/74/317374774.db2.gz CRBWEGQXEGLZJW-JTQLQIEISA-N -1 1 280.299 1.224 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H](CO)C(C)C ZINC001592114087 1173805754 /nfs/dbraw/zinc/80/57/54/1173805754.db2.gz NSFUNOVYHXHIAW-JTQLQIEISA-N -1 1 276.344 1.247 20 0 CDADMM Cc1ccc(NC[C@H](C)C[C@@H](C)O)nc1-c1nnn[n-]1 ZINC001592183224 1173829503 /nfs/dbraw/zinc/82/95/03/1173829503.db2.gz PFVOFHVFAAVAHF-PSASIEDQSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1ccc(NC[C@H](C)C[C@@H](C)O)nc1-c1nn[n-]n1 ZINC001592183224 1173829506 /nfs/dbraw/zinc/82/95/06/1173829506.db2.gz PFVOFHVFAAVAHF-PSASIEDQSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1nnc([C@H](C)Sc2cccnc2-c2nn[n-]n2)[nH]1 ZINC001592324782 1173854964 /nfs/dbraw/zinc/85/49/64/1173854964.db2.gz QDNLHXKIUHMTPT-LURJTMIESA-N -1 1 288.340 1.542 20 0 CDADMM C[C@H](CC1CCCC1)C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000183452939 323336003 /nfs/dbraw/zinc/33/60/03/323336003.db2.gz IRUIERGMVFCINL-GHMZBOCLSA-N -1 1 279.388 1.978 20 0 CDADMM O=C(NC[C@H]1CCC[C@@H](O)C1)c1c([O-])cccc1F ZINC000187016625 323419442 /nfs/dbraw/zinc/41/94/42/323419442.db2.gz VYFZVURJHHQZDY-VHSXEESVSA-N -1 1 267.300 1.812 20 0 CDADMM CC1(C)Cc2cc(C(=O)Nc3nnn[n-]3)ccc2O1 ZINC000579476949 324197969 /nfs/dbraw/zinc/19/79/69/324197969.db2.gz UCNGRUXYFYZQTO-UHFFFAOYSA-N -1 1 259.269 1.166 20 0 CDADMM CC1(C)Cc2cc(C(=O)Nc3nn[n-]n3)ccc2O1 ZINC000579476949 324197974 /nfs/dbraw/zinc/19/79/74/324197974.db2.gz UCNGRUXYFYZQTO-UHFFFAOYSA-N -1 1 259.269 1.166 20 0 CDADMM Cc1nsc(N2CCC(C)(C)C2)c1-c1nn[n-]n1 ZINC001592473281 1173899847 /nfs/dbraw/zinc/89/98/47/1173899847.db2.gz OTOOYQROQVRKNV-UHFFFAOYSA-N -1 1 264.358 1.868 20 0 CDADMM Cc1nsc(N[C@@H]2COC(C)(C)C2)c1-c1nn[n-]n1 ZINC001592486588 1173902714 /nfs/dbraw/zinc/90/27/14/1173902714.db2.gz OOTKVGAQOVENFW-ZETCQYMHSA-N -1 1 280.357 1.611 20 0 CDADMM CN(Cc1cn(CC(=O)[O-])nn1)C1CCC(C)(C)CC1 ZINC000584177639 327059310 /nfs/dbraw/zinc/05/93/10/327059310.db2.gz HMDOEFRUMHPUOR-UHFFFAOYSA-N -1 1 280.372 1.763 20 0 CDADMM O=C(NCCc1ccc(F)cc1)c1ccc([O-])cn1 ZINC000586731328 1160241938 /nfs/dbraw/zinc/24/19/38/1160241938.db2.gz SVMSOCDZKOYPJQ-UHFFFAOYSA-N -1 1 260.268 1.899 20 0 CDADMM CC(C)Cc1cccc([C@@H](C)C(=O)NCc2nn[n-]n2)c1 ZINC000671719658 482529973 /nfs/dbraw/zinc/52/99/73/482529973.db2.gz ROGAWGTUVDQZFA-LLVKDONJSA-N -1 1 287.367 1.818 20 0 CDADMM CC[C@H](C(=O)NCc1nn[n-]n1)C1CCC(C)CC1 ZINC000680868900 482597889 /nfs/dbraw/zinc/59/78/89/482597889.db2.gz MISWAZSUZSYUAT-ILDUYXDCSA-N -1 1 265.361 1.668 20 0 CDADMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@@H](CO)CC1 ZINC000294723494 482625703 /nfs/dbraw/zinc/62/57/03/482625703.db2.gz YTTDHBKEORTWOS-SECBINFHSA-N -1 1 285.290 1.905 20 0 CDADMM CC[C@H](NC(=O)Cc1[nH]nc2ccccc21)C(=O)[O-] ZINC000237014833 482635164 /nfs/dbraw/zinc/63/51/64/482635164.db2.gz WEPWJQVLBJBMDU-VIFPVBQESA-N -1 1 261.281 1.085 20 0 CDADMM CN(CC(=O)N1CCCC1)C(=O)c1ccc([O-])c(F)c1 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O=C(NCc1nnc(C2CC2)o1)c1ccc([O-])c(F)c1 ZINC000684483124 482841326 /nfs/dbraw/zinc/84/13/26/482841326.db2.gz YTLHMOWQHJRXGR-UHFFFAOYSA-N -1 1 277.255 1.722 20 0 CDADMM O=C([C@H]1CC12CCC2)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000677929509 482848592 /nfs/dbraw/zinc/84/85/92/482848592.db2.gz XNMJZAOIRWILAJ-VHSXEESVSA-N -1 1 261.329 1.096 20 0 CDADMM C[C@H](C[C@@H]1CCOC1)NC(=O)c1cncc([O-])c1 ZINC000675415836 483299976 /nfs/dbraw/zinc/29/99/76/483299976.db2.gz KSRFTLGOUHNRLS-ZJUUUORDSA-N -1 1 250.298 1.332 20 0 CDADMM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000164560153 483312508 /nfs/dbraw/zinc/31/25/08/483312508.db2.gz RHKSTYULCSPWAB-XHDPSFHLSA-N -1 1 287.319 1.936 20 0 CDADMM CCN(C)C(=O)[C@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000682817998 483357001 /nfs/dbraw/zinc/35/70/01/483357001.db2.gz AKAGCFIYIAFUML-QMMMGPOBSA-N -1 1 268.288 1.128 20 0 CDADMM O=C([O-])C1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000676210225 483437786 /nfs/dbraw/zinc/43/77/86/483437786.db2.gz WQIGKDZTYXLXOL-JTQLQIEISA-N 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/nfs/dbraw/zinc/59/38/54/524593854.db2.gz DPMKOZFHYMSXJR-ZDUSSCGKSA-N -1 1 278.308 1.087 20 0 CDADMM Cc1ccccc1CN(C)C(=O)CN[C@@H](C(=O)[O-])C1CC1 ZINC000054522988 525119515 /nfs/dbraw/zinc/11/95/15/525119515.db2.gz FPPHYZUCQSONEK-OAHLLOKOSA-N -1 1 290.363 1.406 20 0 CDADMM Cc1cc(C[C@@H](C)Nc2nccnc2C(=O)[O-])[nH]n1 ZINC001600189719 1174394073 /nfs/dbraw/zinc/39/40/73/1174394073.db2.gz UUVQGPQAHLXHFU-SSDOTTSWSA-N -1 1 261.285 1.249 20 0 CDADMM C[C@H](CC(=O)Nc1nnn[n-]1)C(=O)c1cccc(F)c1 ZINC000073794796 526250115 /nfs/dbraw/zinc/25/01/15/526250115.db2.gz UZRRFLCWEDJMLE-SSDOTTSWSA-N -1 1 277.259 1.186 20 0 CDADMM C[C@H](CC(=O)Nc1nn[n-]n1)C(=O)c1cccc(F)c1 ZINC000073794796 526250116 /nfs/dbraw/zinc/25/01/16/526250116.db2.gz UZRRFLCWEDJMLE-SSDOTTSWSA-N -1 1 277.259 1.186 20 0 CDADMM O=C(CCCC(F)(F)F)NC1(c2nn[n-]n2)CC1 ZINC000357053524 526416399 /nfs/dbraw/zinc/41/63/99/526416399.db2.gz SPFMELJWGOGUFH-UHFFFAOYSA-N -1 1 263.223 1.038 20 0 CDADMM O=C(CCCCCc1cccs1)NN1CC(=O)[N-]C1=O ZINC000067133921 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ZINC001600380388 1174459011 /nfs/dbraw/zinc/45/90/11/1174459011.db2.gz IRRGNUSKJVEZGA-RISCZKNCSA-N -1 1 280.299 1.020 20 0 CDADMM Cc1ccc(F)c(CN(C)CCC(=O)N(C)CC(=O)[O-])c1 ZINC001600429089 1174473795 /nfs/dbraw/zinc/47/37/95/1174473795.db2.gz REFNSMSFPFPBEQ-UHFFFAOYSA-N -1 1 296.342 1.499 20 0 CDADMM Cc1ccc(NC(=O)CN2CCCC2)c(C(=O)[O-])c1 ZINC001600447769 1174477968 /nfs/dbraw/zinc/47/79/68/1174477968.db2.gz XVTNRSCZJVNAHJ-UHFFFAOYSA-N -1 1 262.309 1.728 20 0 CDADMM Cc1nc([C@@H](C)OC(=O)Cc2ccccc2C(=O)[O-])n[nH]1 ZINC001600667735 1174555045 /nfs/dbraw/zinc/55/50/45/1174555045.db2.gz YZFMKEFDMGUDSL-MRVPVSSYSA-N -1 1 289.291 1.658 20 0 CDADMM Cc1nc(CC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)n[nH]1 ZINC001600670967 1174556828 /nfs/dbraw/zinc/55/68/28/1174556828.db2.gz DCIUOWIMFLXCNX-MRVPVSSYSA-N -1 1 288.307 1.482 20 0 CDADMM Cc1n[nH]c([C@H]2CCN(Cc3nc(C(=O)[O-])cs3)C2)n1 ZINC001600697334 1174568294 /nfs/dbraw/zinc/56/82/94/1174568294.db2.gz YMVSRKLCHHRXGU-QMMMGPOBSA-N -1 1 293.352 1.257 20 0 CDADMM Cc1nnc([C@H]2CCN(Cc3nc(C(=O)[O-])cs3)C2)[nH]1 ZINC001600697334 1174568300 /nfs/dbraw/zinc/56/83/00/1174568300.db2.gz YMVSRKLCHHRXGU-QMMMGPOBSA-N -1 1 293.352 1.257 20 0 CDADMM Cc1nc(NC(=O)[C@H](C)N[C@@H](C(=O)[O-])C2CC2)sc1C ZINC001600710561 1174575112 /nfs/dbraw/zinc/57/51/12/1174575112.db2.gz GOUAYLIVSQRLPY-OIBJUYFYSA-N -1 1 297.380 1.540 20 0 CDADMM Cc1ncc([C@@H](C)NCC(=O)N[C@H](C(=O)[O-])C(C)C)s1 ZINC001600735059 1174583709 /nfs/dbraw/zinc/58/37/09/1174583709.db2.gz CLPUQUONDFHECF-PELKAZGASA-N -1 1 299.396 1.328 20 0 CDADMM Cc1nn(CCC(=O)[O-])c(C)c1CN1CCCOCC1 ZINC001600785555 1174608910 /nfs/dbraw/zinc/60/89/10/1174608910.db2.gz DZJARSZHOYTPIS-UHFFFAOYSA-N -1 1 281.356 1.197 20 0 CDADMM Cc1nc([C@H](C)NC(=O)c2ccc(C)c(C(=O)[O-])c2)n[nH]1 ZINC001600793498 1174613034 /nfs/dbraw/zinc/61/30/34/1174613034.db2.gz ZSYRPKBCSUYDKJ-QMMMGPOBSA-N -1 1 288.307 1.611 20 0 CDADMM Cc1oc(C[N@@H+]2[C@@H](C)CC[C@H]2C(=O)[O-])cc1C(=O)[O-] ZINC001600845461 1174639890 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COC[C@@H]1CCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC000747402053 574499976 /nfs/dbraw/zinc/49/99/76/574499976.db2.gz IPSLIIOFMRCSQR-LLVKDONJSA-N -1 1 293.367 1.723 20 0 CDADMM COC(=O)c1oc(CN(C)CCC(=O)[O-])cc1C ZINC000738049754 574507352 /nfs/dbraw/zinc/50/73/52/574507352.db2.gz RAYXIACZBLKIKT-UHFFFAOYSA-N -1 1 255.270 1.281 20 0 CDADMM Oc1ccc(CCCNc2nccnc2-c2nnn[n-]2)cc1 ZINC000738400151 574536698 /nfs/dbraw/zinc/53/66/98/574536698.db2.gz DRATZLGUIZPHJO-UHFFFAOYSA-N -1 1 297.322 1.407 20 0 CDADMM Oc1ccc(CCCNc2nccnc2-c2nn[n-]n2)cc1 ZINC000738400151 574536700 /nfs/dbraw/zinc/53/67/00/574536700.db2.gz DRATZLGUIZPHJO-UHFFFAOYSA-N -1 1 297.322 1.407 20 0 CDADMM O=C([O-])c1ccc(NC(=O)NCCCc2nc[nH]n2)s1 ZINC001601501335 1174885484 /nfs/dbraw/zinc/88/54/84/1174885484.db2.gz NLCYFXIUARUXDA-UHFFFAOYSA-N -1 1 295.324 1.319 20 0 CDADMM COCCN1CCN([C@@H](C)c2ccc(C(=O)[O-])o2)C[C@H]1C ZINC000737814642 575047573 /nfs/dbraw/zinc/04/75/73/575047573.db2.gz XHHOIZMYVPIMAV-NEPJUHHUSA-N -1 1 296.367 1.691 20 0 CDADMM O=C(NC[C@@H]1COc2ccccc2C1)c1cncc([O-])c1 ZINC000731871394 575067200 /nfs/dbraw/zinc/06/72/00/575067200.db2.gz JGXJTJQVYPCTQC-LLVKDONJSA-N -1 1 284.315 1.768 20 0 CDADMM COc1cc(Cl)ccc1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765461508 575090235 /nfs/dbraw/zinc/09/02/35/575090235.db2.gz PRENFDRURRXASY-UHFFFAOYSA-N -1 1 297.698 1.127 20 0 CDADMM C[C@@H]1C[C@H]1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774884291 575248563 /nfs/dbraw/zinc/24/85/63/575248563.db2.gz VEMDVVZPXISRKK-RNFRBKRXSA-N -1 1 253.220 1.254 20 0 CDADMM CC[C@@H]1CC[C@@H](C(=O)OCCC[N-]C(=O)C(F)(F)F)O1 ZINC000774969185 575257344 /nfs/dbraw/zinc/25/73/44/575257344.db2.gz LZGQHKMEVYQUCT-BDAKNGLRSA-N -1 1 297.273 1.556 20 0 CDADMM NC(=O)N1CCCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000769750953 575380315 /nfs/dbraw/zinc/38/03/15/575380315.db2.gz DKLSMOKQIFCYGF-UHFFFAOYSA-N -1 1 297.742 1.272 20 0 CDADMM Cn1cc(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)nc1Cl ZINC000769907346 575396876 /nfs/dbraw/zinc/39/68/76/575396876.db2.gz YYVHZIBWEYAVQD-LURJTMIESA-N -1 1 299.730 1.540 20 0 CDADMM CC(=O)c1ccc(Oc2nccnc2-c2nn[nH]n2)c(C)c1 ZINC000735498769 575473847 /nfs/dbraw/zinc/47/38/47/575473847.db2.gz JFOKVAUWIYOXHM-UHFFFAOYSA-N -1 1 296.290 1.960 20 0 CDADMM CC(=O)c1ccc(Oc2nccnc2-c2nn[n-]n2)c(C)c1 ZINC000735498769 575473848 /nfs/dbraw/zinc/47/38/48/575473848.db2.gz JFOKVAUWIYOXHM-UHFFFAOYSA-N -1 1 296.290 1.960 20 0 CDADMM CSc1cccc(C)c1NC(=O)NN1CC(=O)[N-]C1=O ZINC000770745057 575494715 /nfs/dbraw/zinc/49/47/15/575494715.db2.gz YUKAKQFCSXIRHJ-UHFFFAOYSA-N -1 1 294.336 1.305 20 0 CDADMM C[C@H](CO)[C@H](C)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736038226 575553327 /nfs/dbraw/zinc/55/33/27/575553327.db2.gz SOUKTOHCMDPJEA-BDAKNGLRSA-N -1 1 299.338 1.239 20 0 CDADMM C[C@H](CO)[C@H](C)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736038226 575553329 /nfs/dbraw/zinc/55/33/29/575553329.db2.gz SOUKTOHCMDPJEA-BDAKNGLRSA-N -1 1 299.338 1.239 20 0 CDADMM C[C@@H](N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC000736097923 575571014 /nfs/dbraw/zinc/57/10/14/575571014.db2.gz RENXFAWPFXAFFE-SECBINFHSA-N -1 1 288.355 1.768 20 0 CDADMM C[C@@H](N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC000736097923 575571017 /nfs/dbraw/zinc/57/10/17/575571017.db2.gz RENXFAWPFXAFFE-SECBINFHSA-N -1 1 288.355 1.768 20 0 CDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)Cc2ccccc21 ZINC000736291561 575613963 /nfs/dbraw/zinc/61/39/63/575613963.db2.gz FSISWLHGWLXHFL-JTQLQIEISA-N -1 1 293.334 1.780 20 0 CDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)Cc2ccccc21 ZINC000736291561 575613965 /nfs/dbraw/zinc/61/39/65/575613965.db2.gz FSISWLHGWLXHFL-JTQLQIEISA-N -1 1 293.334 1.780 20 0 CDADMM CCC(CC)[C@H](O)CNc1cccc(-c2nnn[n-]2)n1 ZINC000736337052 575626732 /nfs/dbraw/zinc/62/67/32/575626732.db2.gz HGAAXCGXPDXKNO-LLVKDONJSA-N -1 1 276.344 1.471 20 0 CDADMM CCC(CC)[C@H](O)CNc1cccc(-c2nn[n-]n2)n1 ZINC000736337052 575626733 /nfs/dbraw/zinc/62/67/33/575626733.db2.gz HGAAXCGXPDXKNO-LLVKDONJSA-N -1 1 276.344 1.471 20 0 CDADMM CC(C)[C@H]1CCCN(Cn2cc(C(=O)[O-])nn2)CC1 ZINC000736394483 575647495 /nfs/dbraw/zinc/64/74/95/575647495.db2.gz HJBZQSHFQLRNKR-NSHDSACASA-N -1 1 266.345 1.692 20 0 CDADMM CCC[C@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000736434382 575659791 /nfs/dbraw/zinc/65/97/91/575659791.db2.gz GBAUDTXCJBQMLM-YFKPBYRVSA-N -1 1 288.764 1.550 20 0 CDADMM CCC[C@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000736434382 575659795 /nfs/dbraw/zinc/65/97/95/575659795.db2.gz GBAUDTXCJBQMLM-YFKPBYRVSA-N -1 1 288.764 1.550 20 0 CDADMM C[C@@H](CN(C)CC(=O)NCCC(=O)[O-])c1ccccc1 ZINC000736570055 575692226 /nfs/dbraw/zinc/69/22/26/575692226.db2.gz AQZXPJLCJCVAQO-LBPRGKRZSA-N -1 1 278.352 1.313 20 0 CDADMM C[C@@H](O)C[N@H+]1CCN(Cc2cccc(C(=O)[O-])c2)C[C@H]1C ZINC000736675983 575715363 /nfs/dbraw/zinc/71/53/63/575715363.db2.gz HKFPQSIOJXRLED-CHWSQXEVSA-N -1 1 292.379 1.272 20 0 CDADMM CCc1nn(C/C=C\Cl)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705504 575726217 /nfs/dbraw/zinc/72/62/17/575726217.db2.gz JOPYQMHFYQKUAN-WAYWQWQTSA-N -1 1 294.746 1.301 20 0 CDADMM C[C@@H]1CN2CCCC[C@H]2CN1C(=S)NCCCC(=O)[O-] ZINC000736822180 575759470 /nfs/dbraw/zinc/75/94/70/575759470.db2.gz QENDHBGMVUQQFQ-NEPJUHHUSA-N -1 1 299.440 1.284 20 0 CDADMM CC[C@H](C(=O)OC)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736859560 575765991 /nfs/dbraw/zinc/76/59/91/575765991.db2.gz CRSZSGNGUJLKHA-VHSXEESVSA-N -1 1 255.314 1.125 20 0 CDADMM COC[C@@H](C)OC(=O)c1sccc1-c1nn[n-]n1 ZINC000736970174 575779661 /nfs/dbraw/zinc/77/96/61/575779661.db2.gz OXKDBMDFHCITCL-ZCFIWIBFSA-N -1 1 268.298 1.120 20 0 CDADMM O=C([O-])CCCCNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000773231358 575793497 /nfs/dbraw/zinc/79/34/97/575793497.db2.gz AUXCDYOCQUKVBP-VIFPVBQESA-N -1 1 265.313 1.201 20 0 CDADMM O=C(OCCn1ccccc1=O)c1ccc([O-])cc1F ZINC000773566397 575826673 /nfs/dbraw/zinc/82/66/73/575826673.db2.gz NEWDZFYXZBHFSY-UHFFFAOYSA-N -1 1 277.251 1.550 20 0 CDADMM C[C@@H](OC(=O)c1ccc([O-])cc1F)C(=O)NC(C)(C)C ZINC000773575237 575827080 /nfs/dbraw/zinc/82/70/80/575827080.db2.gz WQXVEJQXLLYDSM-MRVPVSSYSA-N -1 1 283.299 1.991 20 0 CDADMM C[C@@H](C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])N(C)C ZINC000774073230 575850862 /nfs/dbraw/zinc/85/08/62/575850862.db2.gz VLDHNYKBAUGRSN-QCNOEVLYSA-N -1 1 268.357 1.181 20 0 CDADMM CN(C)[C@H](Cc1ccccc1)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000737358224 575946422 /nfs/dbraw/zinc/94/64/22/575946422.db2.gz JDLLVCFHKRSUMR-UONOGXRCSA-N -1 1 290.363 1.092 20 0 CDADMM C[N@@H+](CC(=O)Nc1ccsc1C(=O)[O-])C(C)(C)CO ZINC000737400229 575955396 /nfs/dbraw/zinc/95/53/96/575955396.db2.gz ZNPDTXXVRGAYAC-UHFFFAOYSA-N -1 1 286.353 1.088 20 0 CDADMM CN(CC(=O)Nc1ccsc1C(=O)[O-])C(C)(C)CO ZINC000737400229 575955398 /nfs/dbraw/zinc/95/53/98/575955398.db2.gz ZNPDTXXVRGAYAC-UHFFFAOYSA-N -1 1 286.353 1.088 20 0 CDADMM CN(CCC(=O)N(C)CC(=O)[O-])Cc1ccccc1Cl ZINC000737411894 575958514 /nfs/dbraw/zinc/95/85/14/575958514.db2.gz DANRXWXYYNAJDC-UHFFFAOYSA-N -1 1 298.770 1.705 20 0 CDADMM Cc1ccccc1[C@H](O)CNc1cccc(-c2nnn[n-]2)n1 ZINC000737424250 575961252 /nfs/dbraw/zinc/96/12/52/575961252.db2.gz WNTZMWPMVBNQMS-CYBMUJFWSA-N -1 1 296.334 1.716 20 0 CDADMM Cc1ccccc1[C@H](O)CNc1cccc(-c2nn[n-]n2)n1 ZINC000737424250 575961256 /nfs/dbraw/zinc/96/12/56/575961256.db2.gz WNTZMWPMVBNQMS-CYBMUJFWSA-N -1 1 296.334 1.716 20 0 CDADMM FC(F)(F)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC000737626021 576004811 /nfs/dbraw/zinc/00/48/11/576004811.db2.gz FFCWCCCVYHKMIH-SSDOTTSWSA-N -1 1 299.260 1.435 20 0 CDADMM FC(F)(F)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC000737626021 576004813 /nfs/dbraw/zinc/00/48/13/576004813.db2.gz FFCWCCCVYHKMIH-SSDOTTSWSA-N -1 1 299.260 1.435 20 0 CDADMM Cn1[n-]c(COC(=O)/C=C\c2ccc(Cl)cc2)nc1=O ZINC000765399493 576016111 /nfs/dbraw/zinc/01/61/11/576016111.db2.gz YTXBBAMKOQMREO-DAXSKMNVSA-N -1 1 293.710 1.518 20 0 CDADMM Cn1[n-]c(COC(=O)CC(C)(C)c2ccccc2)nc1=O ZINC000765462159 576026222 /nfs/dbraw/zinc/02/62/22/576026222.db2.gz SAQFNFHRBRZJHB-UHFFFAOYSA-N -1 1 289.335 1.520 20 0 CDADMM C[C@@H](CC(=O)OCc1nc(=O)n(C)[n-]1)c1ccc(F)cc1 ZINC000765474789 576027670 /nfs/dbraw/zinc/02/76/70/576027670.db2.gz SGXFUCWMPABUNI-VIFPVBQESA-N -1 1 293.298 1.485 20 0 CDADMM Cn1[n-]c(COC(=O)c2cnc3ccsc3c2)nc1=O ZINC000765489307 576029445 /nfs/dbraw/zinc/02/94/45/576029445.db2.gz QQLCUJNQBMEHKR-UHFFFAOYSA-N -1 1 290.304 1.075 20 0 CDADMM Cc1cc(Cl)ccc1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765494918 576030609 /nfs/dbraw/zinc/03/06/09/576030609.db2.gz QCFDLOUFOLUQHL-UHFFFAOYSA-N -1 1 281.699 1.427 20 0 CDADMM C[C@H]1C[C@H](C(=O)OCc2nc(=O)n(C)[n-]2)C[C@@H](C)C1 ZINC000765510572 576033499 /nfs/dbraw/zinc/03/34/99/576033499.db2.gz CCAHVOHTVOZDLQ-MYJAWHEDSA-N -1 1 267.329 1.224 20 0 CDADMM O=C(c1ccc2n[nH]cc2c1)N1CCC(c2nn[n-]n2)CC1 ZINC000738271260 576055496 /nfs/dbraw/zinc/05/54/96/576055496.db2.gz UBQKFTQDLPGRIL-UHFFFAOYSA-N -1 1 297.322 1.096 20 0 CDADMM Cc1nonc1C[N-]C(=O)C(F)(F)c1ccccc1F ZINC000765814959 576058243 /nfs/dbraw/zinc/05/82/43/576058243.db2.gz BXSZYJMKKIDYBZ-UHFFFAOYSA-N -1 1 285.225 1.925 20 0 CDADMM c1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)nc1 ZINC000738424035 576072431 /nfs/dbraw/zinc/07/24/31/576072431.db2.gz AOVZZOSRYRLXPR-UHFFFAOYSA-N -1 1 292.262 1.374 20 0 CDADMM c1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)nc1 ZINC000738424035 576072434 /nfs/dbraw/zinc/07/24/34/576072434.db2.gz AOVZZOSRYRLXPR-UHFFFAOYSA-N -1 1 292.262 1.374 20 0 CDADMM C[C@H]1CC[C@H](CCC(=O)[N-]OCC(F)(F)F)O1 ZINC000766762762 576132409 /nfs/dbraw/zinc/13/24/09/576132409.db2.gz PSAXJKFWFSZVBY-JGVFFNPUSA-N -1 1 255.236 1.944 20 0 CDADMM NC(=O)N1CCCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000739165686 576175747 /nfs/dbraw/zinc/17/57/47/576175747.db2.gz APDYOSFVJSLICQ-UHFFFAOYSA-N -1 1 295.314 1.110 20 0 CDADMM O=C(C[C@H]1C=CS(=O)(=O)C1)Nc1ccc(F)cc1[O-] ZINC000768259107 576267284 /nfs/dbraw/zinc/26/72/84/576267284.db2.gz PZWCFIPTRMRXIL-MRVPVSSYSA-N -1 1 285.296 1.418 20 0 CDADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc[nH]2)o1 ZINC000760406450 576482916 /nfs/dbraw/zinc/48/29/16/576482916.db2.gz NDBKNVFTXIBLSH-MRVPVSSYSA-N -1 1 298.320 1.434 20 0 CDADMM Cn1cc([C@H](O)CNC(=O)c2ccc(Cl)cc2[O-])cn1 ZINC000743645198 576649018 /nfs/dbraw/zinc/64/90/18/576649018.db2.gz IIDRTJBNINPOPW-GFCCVEGCSA-N -1 1 295.726 1.243 20 0 CDADMM CC(=O)c1ccc([O-])c(CCOC(=O)CN(C)C(C)=O)c1 ZINC000744696019 576692439 /nfs/dbraw/zinc/69/24/39/576692439.db2.gz UHVGLZUSOJYEOJ-UHFFFAOYSA-N -1 1 293.319 1.159 20 0 CDADMM C[C@H](C(=O)OCC(=O)[N-]C(=O)c1ccccc1)C1CC1 ZINC000748137759 576897228 /nfs/dbraw/zinc/89/72/28/576897228.db2.gz AOTCUVBAGLVOHA-JTQLQIEISA-N -1 1 275.304 1.532 20 0 CDADMM O=C(Cc1ccc2c(c1)OCO2)[N-]O[C@@H]1CCCCO1 ZINC000749616366 576955722 /nfs/dbraw/zinc/95/57/22/576955722.db2.gz CRHBKWYAVIIKTR-CQSZACIVSA-N -1 1 279.292 1.532 20 0 CDADMM CC[S@](=O)[C@@H]1CCC[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000750130357 576977615 /nfs/dbraw/zinc/97/76/15/576977615.db2.gz KGBUWLAIMJQMMZ-VBTAIFHRSA-N -1 1 271.304 1.745 20 0 CDADMM Cn1nnc2cc(CNCc3ccc(C(=O)[O-])o3)ccc21 ZINC000756284765 576984283 /nfs/dbraw/zinc/98/42/83/576984283.db2.gz DIBWBTPLUGJFLH-UHFFFAOYSA-N -1 1 286.291 1.549 20 0 CDADMM CN(C)C(=O)C[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000756872765 577011067 /nfs/dbraw/zinc/01/10/67/577011067.db2.gz LAORLCHJNHJJKB-UHFFFAOYSA-N -1 1 292.232 1.261 20 0 CDADMM O=S(=O)([N-][C@H](CCO)C1CC1)c1cc2ccccc2o1 ZINC000751443742 577041718 /nfs/dbraw/zinc/04/17/18/577041718.db2.gz WBSONNDIHSOLTK-GFCCVEGCSA-N -1 1 295.360 1.872 20 0 CDADMM CCC[C@@H](NC(=O)[C@@H]1CSCCS1)c1nn[n-]n1 ZINC000758292274 577094502 /nfs/dbraw/zinc/09/45/02/577094502.db2.gz IWYSCBLLAOSLCX-SFYZADRCSA-N -1 1 287.414 1.006 20 0 CDADMM O=C([N-]OCC(F)F)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000759340035 577171271 /nfs/dbraw/zinc/17/12/71/577171271.db2.gz VWFQKUKYSCCQMO-VIFPVBQESA-N -1 1 284.262 1.352 20 0 CDADMM O=C([O-])CC1(COC(=O)[C@@H]2CCCc3[nH]ncc32)CC1 ZINC001601920580 1175066277 /nfs/dbraw/zinc/06/62/77/1175066277.db2.gz TYJSXIYKSDMKRA-SECBINFHSA-N -1 1 278.308 1.628 20 0 CDADMM O=C([O-])C[C@@H]1CCCN1Cc1cn(CC2CC2)nn1 ZINC001601954156 1175085668 /nfs/dbraw/zinc/08/56/68/1175085668.db2.gz ZOPHCNCVBVBIKJ-LBPRGKRZSA-N -1 1 264.329 1.127 20 0 CDADMM O=C([O-])CCCONC(=O)[C@@H]1CC1(Cl)Cl ZINC001601995605 1175105270 /nfs/dbraw/zinc/10/52/70/1175105270.db2.gz VSTAANVXQRETME-YFKPBYRVSA-N -1 1 256.085 1.093 20 0 CDADMM CC(C)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000095149164 598943473 /nfs/dbraw/zinc/94/34/73/598943473.db2.gz HZDVJOGZPXDAQO-LLVKDONJSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000095149164 598943474 /nfs/dbraw/zinc/94/34/74/598943474.db2.gz HZDVJOGZPXDAQO-LLVKDONJSA-N -1 1 287.371 1.919 20 0 CDADMM O=C([O-])CSCCC(=O)OCc1ccc2[nH]nnc2c1 ZINC001602099172 1175130662 /nfs/dbraw/zinc/13/06/62/1175130662.db2.gz MZVKTFJXDQXNIO-UHFFFAOYSA-N -1 1 295.320 1.209 20 0 CDADMM O=C([O-])CSCCC(=O)OCc1ccc2nn[nH]c2c1 ZINC001602099172 1175130666 /nfs/dbraw/zinc/13/06/66/1175130666.db2.gz MZVKTFJXDQXNIO-UHFFFAOYSA-N -1 1 295.320 1.209 20 0 CDADMM CC[C@@H](C(=O)OC/C=C(/C)C(=O)[O-])N(CC)CC ZINC000828603285 601427559 /nfs/dbraw/zinc/42/75/59/601427559.db2.gz 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Cc1nnc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)o1 ZINC000822510252 606457633 /nfs/dbraw/zinc/45/76/33/606457633.db2.gz KIMIROAUTLXKAS-UHFFFAOYSA-N -1 1 292.690 1.219 20 0 CDADMM Cc1nnc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)o1 ZINC000822510252 606457631 /nfs/dbraw/zinc/45/76/31/606457631.db2.gz KIMIROAUTLXKAS-UHFFFAOYSA-N -1 1 292.690 1.219 20 0 CDADMM O=C(NC1CCSCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823161063 606543951 /nfs/dbraw/zinc/54/39/51/606543951.db2.gz KOWSGFLAQJOWOY-UHFFFAOYSA-N -1 1 295.393 1.554 20 0 CDADMM O=C(NC1CCSCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823161063 606543952 /nfs/dbraw/zinc/54/39/52/606543952.db2.gz KOWSGFLAQJOWOY-UHFFFAOYSA-N -1 1 295.393 1.554 20 0 CDADMM CC(C)[C@H](C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820015685 606648536 /nfs/dbraw/zinc/64/85/36/606648536.db2.gz FGNCSLVNYPKCAF-VIFPVBQESA-N -1 1 275.312 1.597 20 0 CDADMM CC(C)[C@H](C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820015685 606648537 /nfs/dbraw/zinc/64/85/37/606648537.db2.gz FGNCSLVNYPKCAF-VIFPVBQESA-N -1 1 275.312 1.597 20 0 CDADMM O=C(C=Cc1ccco1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822935763 606653584 /nfs/dbraw/zinc/65/35/84/606653584.db2.gz NDHDGKCTIAIROG-ARJAWSKDSA-N -1 1 297.274 1.611 20 0 CDADMM O=C(C=Cc1ccco1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822935763 606653585 /nfs/dbraw/zinc/65/35/85/606653585.db2.gz NDHDGKCTIAIROG-ARJAWSKDSA-N -1 1 297.274 1.611 20 0 CDADMM Cc1ccc(C)c(OCCn2ccnc2-c2nnn[n-]2)c1 ZINC000822232189 606655075 /nfs/dbraw/zinc/65/50/75/606655075.db2.gz WHGDNMQQPYTAPC-UHFFFAOYSA-N -1 1 284.323 1.759 20 0 CDADMM Cc1ccc(C)c(OCCn2ccnc2-c2nn[n-]n2)c1 ZINC000822232189 606655076 /nfs/dbraw/zinc/65/50/76/606655076.db2.gz WHGDNMQQPYTAPC-UHFFFAOYSA-N -1 1 284.323 1.759 20 0 CDADMM CC[C@H]1CCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820979781 606815948 /nfs/dbraw/zinc/81/59/48/606815948.db2.gz JXQXZSZRPPQYMP-GXSJLCMTSA-N -1 1 286.339 1.570 20 0 CDADMM CC[C@H]1CCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820979781 606815950 /nfs/dbraw/zinc/81/59/50/606815950.db2.gz JXQXZSZRPPQYMP-GXSJLCMTSA-N -1 1 286.339 1.570 20 0 CDADMM CC(C)=CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820004806 606827856 /nfs/dbraw/zinc/82/78/56/606827856.db2.gz DAJYNZUZSYCETP-UHFFFAOYSA-N -1 1 259.269 1.477 20 0 CDADMM C[C@H]1CC[C@@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])O1 ZINC000820674536 606967627 /nfs/dbraw/zinc/96/76/27/606967627.db2.gz DTSGGTHDRXXYKW-CPCISQLKSA-N -1 1 289.295 1.078 20 0 CDADMM Fc1cccc(Oc2ncnc3n[nH]cc32)c1-c1nn[n-]n1 ZINC000826378108 607867253 /nfs/dbraw/zinc/86/72/53/607867253.db2.gz VNEPIVJKEVMJNU-UHFFFAOYSA-N -1 1 298.241 1.464 20 0 CDADMM CC(C)Cn1cc(Nc2cccc(-c3nnn[n-]3)n2)cn1 ZINC000824280840 607900338 /nfs/dbraw/zinc/90/03/38/607900338.db2.gz WGEUEQHHOASMEO-UHFFFAOYSA-N -1 1 284.327 1.858 20 0 CDADMM CC(C)Cn1cc(Nc2cccc(-c3nn[n-]n3)n2)cn1 ZINC000824280840 607900339 /nfs/dbraw/zinc/90/03/39/607900339.db2.gz WGEUEQHHOASMEO-UHFFFAOYSA-N -1 1 284.327 1.858 20 0 CDADMM C[C@H](O)[C@H](C)Sc1cccc(-c2nnn[n-]2)n1 ZINC000824679471 607900500 /nfs/dbraw/zinc/90/05/00/607900500.db2.gz SODHIJZBHGROLU-BQBZGAKWSA-N -1 1 251.315 1.123 20 0 CDADMM C[C@H](O)[C@H](C)Sc1cccc(-c2nn[n-]n2)n1 ZINC000824679471 607900501 /nfs/dbraw/zinc/90/05/01/607900501.db2.gz SODHIJZBHGROLU-BQBZGAKWSA-N -1 1 251.315 1.123 20 0 CDADMM CCOC(=O)[C@@H](CC)Sc1cccc(-c2nnn[n-]2)n1 ZINC000825486824 607900816 /nfs/dbraw/zinc/90/08/16/607900816.db2.gz ZOLBMNKRMKPJHP-SECBINFHSA-N -1 1 293.352 1.696 20 0 CDADMM CCOC(=O)[C@@H](CC)Sc1cccc(-c2nn[n-]n2)n1 ZINC000825486824 607900817 /nfs/dbraw/zinc/90/08/17/607900817.db2.gz ZOLBMNKRMKPJHP-SECBINFHSA-N -1 1 293.352 1.696 20 0 CDADMM CC(C)(C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824070708 607997282 /nfs/dbraw/zinc/99/72/82/607997282.db2.gz AFIPWVLWOXSUEI-UHFFFAOYSA-N -1 1 261.285 1.557 20 0 CDADMM C[C@H]1OCC[C@@H]1Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000825020198 608148366 /nfs/dbraw/zinc/14/83/66/608148366.db2.gz JFVFRXKWOYUIPA-SCZZXKLOSA-N -1 1 297.322 1.399 20 0 CDADMM C[C@H]1OCC[C@@H]1Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000825020198 608148367 /nfs/dbraw/zinc/14/83/67/608148367.db2.gz JFVFRXKWOYUIPA-SCZZXKLOSA-N -1 1 297.322 1.399 20 0 CDADMM CC[C@@H](COC)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000825119317 608185517 /nfs/dbraw/zinc/18/55/17/608185517.db2.gz CHFRPSPMBBJZAX-YFKPBYRVSA-N -1 1 288.764 1.814 20 0 CDADMM CC[C@@H](COC)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000825119317 608185519 /nfs/dbraw/zinc/18/55/19/608185519.db2.gz CHFRPSPMBBJZAX-YFKPBYRVSA-N -1 1 288.764 1.814 20 0 CDADMM CSCCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000826228895 608291723 /nfs/dbraw/zinc/29/17/23/608291723.db2.gz FXDAKHXNNIYSPE-UHFFFAOYSA-N -1 1 287.348 1.545 20 0 CDADMM Cc1ccc2c(c1)CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC000826294506 608296097 /nfs/dbraw/zinc/29/60/97/608296097.db2.gz TXKSCNJUJZSMGK-UHFFFAOYSA-N -1 1 279.307 1.659 20 0 CDADMM Cc1ccc2c(c1)CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC000826294506 608296098 /nfs/dbraw/zinc/29/60/98/608296098.db2.gz TXKSCNJUJZSMGK-UHFFFAOYSA-N -1 1 279.307 1.659 20 0 CDADMM Fc1ccc(Sc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826376001 608389060 /nfs/dbraw/zinc/38/90/60/608389060.db2.gz KLUDLSKMOAWMSL-UHFFFAOYSA-N -1 1 274.284 1.947 20 0 CDADMM Fc1ccc(Sc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826376001 608389061 /nfs/dbraw/zinc/38/90/61/608389061.db2.gz KLUDLSKMOAWMSL-UHFFFAOYSA-N -1 1 274.284 1.947 20 0 CDADMM c1ccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)nc1 ZINC000826520305 608404325 /nfs/dbraw/zinc/40/43/25/608404325.db2.gz FSUSFYQFPKIXQT-LBPRGKRZSA-N -1 1 294.322 1.393 20 0 CDADMM c1ccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)nc1 ZINC000826520305 608404328 /nfs/dbraw/zinc/40/43/28/608404328.db2.gz FSUSFYQFPKIXQT-LBPRGKRZSA-N -1 1 294.322 1.393 20 0 CDADMM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ccc(-c2nnn[n-]2)nn1 ZINC000824901600 608424815 /nfs/dbraw/zinc/42/48/15/608424815.db2.gz ZHTOWPANHDHAAR-SCVCMEIPSA-N -1 1 285.355 1.814 20 0 CDADMM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ccc(-c2nn[n-]n2)nn1 ZINC000824901600 608424816 /nfs/dbraw/zinc/42/48/16/608424816.db2.gz ZHTOWPANHDHAAR-SCVCMEIPSA-N -1 1 285.355 1.814 20 0 CDADMM OC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCCCC1 ZINC000826508481 608428337 /nfs/dbraw/zinc/42/83/37/608428337.db2.gz QLKZYLYMAYIBBR-NSHDSACASA-N -1 1 289.343 1.010 20 0 CDADMM OC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCCCC1 ZINC000826508481 608428339 /nfs/dbraw/zinc/42/83/39/608428339.db2.gz QLKZYLYMAYIBBR-NSHDSACASA-N -1 1 289.343 1.010 20 0 CDADMM Cc1c(NCc2ccc(-c3nn[n-]n3)s2)cnn1C ZINC000826242562 608428359 /nfs/dbraw/zinc/42/83/59/608428359.db2.gz USIRWOGEPFUNNC-UHFFFAOYSA-N -1 1 275.341 1.582 20 0 CDADMM C[C@H]1OCCN(Cc2ccc(-c3nnn[n-]3)o2)[C@@H]1C ZINC000825022674 608702528 /nfs/dbraw/zinc/70/25/28/608702528.db2.gz YXSUSDXJLVKQSZ-RKDXNWHRSA-N -1 1 263.301 1.069 20 0 CDADMM C[C@H]1OCCN(Cc2ccc(-c3nn[n-]n3)o2)[C@@H]1C ZINC000825022674 608702529 /nfs/dbraw/zinc/70/25/29/608702529.db2.gz YXSUSDXJLVKQSZ-RKDXNWHRSA-N -1 1 263.301 1.069 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CN1CCOC[C@@H]1C1CC1 ZINC000826515097 608725897 /nfs/dbraw/zinc/72/58/97/608725897.db2.gz MQOOZZJZEBPOIH-LLVKDONJSA-N -1 1 275.312 1.071 20 0 CDADMM Clc1ncccc1Cn1ccnc1-c1nnn[n-]1 ZINC000826354106 608890636 /nfs/dbraw/zinc/89/06/36/608890636.db2.gz PPTGIOFSZWVDCR-UHFFFAOYSA-N -1 1 261.676 1.160 20 0 CDADMM Clc1ncccc1Cn1ccnc1-c1nn[n-]n1 ZINC000826354106 608890640 /nfs/dbraw/zinc/89/06/40/608890640.db2.gz PPTGIOFSZWVDCR-UHFFFAOYSA-N -1 1 261.676 1.160 20 0 CDADMM CCC(=O)N1CCCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000943204192 614534591 /nfs/dbraw/zinc/53/45/91/614534591.db2.gz QZSORXACDUXCTH-LLVKDONJSA-N -1 1 291.351 1.308 20 0 CDADMM CCC(O)(CC)CNc1cc(=O)[n-]c(COC)n1 ZINC000892126111 617494909 /nfs/dbraw/zinc/49/49/09/617494909.db2.gz XWNIEZFLMXQMSN-UHFFFAOYSA-N -1 1 255.318 1.292 20 0 CDADMM CCC(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@H](C)C1 ZINC000955651493 614896997 /nfs/dbraw/zinc/89/69/97/614896997.db2.gz OBHINIKTQFDGRF-GHMZBOCLSA-N -1 1 291.351 1.307 20 0 CDADMM C[C@@H](OCC1CC1)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891625174 617511368 /nfs/dbraw/zinc/51/13/68/617511368.db2.gz WEGOHFSKPLSBHG-SECBINFHSA-N -1 1 291.351 1.815 20 0 CDADMM Cc1occc1CN(C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000909400753 618083996 /nfs/dbraw/zinc/08/39/96/618083996.db2.gz JDOGRUMRKNBUAD-CYBMUJFWSA-N -1 1 294.351 1.343 20 0 CDADMM CCOC1(C)CCN(c2cc(=O)[n-]c(COC)n2)CC1 ZINC000893943590 618209356 /nfs/dbraw/zinc/20/93/56/618209356.db2.gz FOMRFWDZFCKRGK-UHFFFAOYSA-N -1 1 281.356 1.724 20 0 CDADMM CCc1nc(C)c(CNc2cc(=O)[n-]c(COC)n2)o1 ZINC000893965993 618225850 /nfs/dbraw/zinc/22/58/50/618225850.db2.gz ZOSCKDRMKWEORU-UHFFFAOYSA-N -1 1 278.312 1.800 20 0 CDADMM CCOCCOCCOC(=O)c1ccc([O-])cc1F ZINC000922583031 618262947 /nfs/dbraw/zinc/26/29/47/618262947.db2.gz MNOIPWNQOCHMAU-UHFFFAOYSA-N -1 1 272.272 1.741 20 0 CDADMM CC[C@@H](C)[C@H](CNc1cc(=O)[n-]c(COC)n1)OC ZINC000894029864 618272127 /nfs/dbraw/zinc/27/21/27/618272127.db2.gz NWJLDXDGHOQPFM-ZJUUUORDSA-N -1 1 269.345 1.802 20 0 CDADMM CC(C)Cc1ccccc1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000791743851 618379077 /nfs/dbraw/zinc/37/90/77/618379077.db2.gz TZKZBQWTARIQDQ-UHFFFAOYSA-N -1 1 289.335 1.664 20 0 CDADMM O=C([O-])C1(NC(=O)c2[nH]nc3c2CCC3)CCCCCC1 ZINC000902000744 618448272 /nfs/dbraw/zinc/44/82/72/618448272.db2.gz FTCYJGFONGVFME-UHFFFAOYSA-N -1 1 291.351 1.806 20 0 CDADMM COC[C@]1(C(=O)[O-])CCCN1Cc1cccn1C ZINC000902025247 618465909 /nfs/dbraw/zinc/46/59/09/618465909.db2.gz ZIYXKSISAUGFHQ-ZDUSSCGKSA-N -1 1 252.314 1.091 20 0 CDADMM CC(C)c1nnc(CNC2CCN(C(=O)[O-])CC2)s1 ZINC000824502695 618576873 /nfs/dbraw/zinc/57/68/73/618576873.db2.gz GNCZTIPEZDAPGG-UHFFFAOYSA-N -1 1 284.385 1.894 20 0 CDADMM C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H](C(=O)[O-])c1ccccn1 ZINC000828213854 618614146 /nfs/dbraw/zinc/61/41/46/618614146.db2.gz FDSKOBXLRNSNFJ-UHIISALHSA-N -1 1 291.351 1.196 20 0 CDADMM COCc1nc(N[C@@H]2CCC[C@@H]([S@@](C)=O)C2)cc(=O)[n-]1 ZINC000894500365 618926318 /nfs/dbraw/zinc/92/63/18/618926318.db2.gz OFWUUWLNRPDZPC-ODXZIHIVSA-N -1 1 299.396 1.430 20 0 CDADMM CC(C)C1CCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000909412075 619102560 /nfs/dbraw/zinc/10/25/60/619102560.db2.gz HACDPKIEEAQSNC-CQSZACIVSA-N -1 1 296.411 1.678 20 0 CDADMM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H](C)N(C)C ZINC000909512203 619511903 /nfs/dbraw/zinc/51/19/03/619511903.db2.gz CORWLPAJIGRTLS-SNVBAGLBSA-N -1 1 264.325 1.890 20 0 CDADMM CN(C)C1(C(=O)NCC2(C(=O)[O-])CCCCC2)CC1 ZINC000909523802 619738083 /nfs/dbraw/zinc/73/80/83/619738083.db2.gz PLOKKFFWCSVSCQ-UHFFFAOYSA-N -1 1 268.357 1.232 20 0 CDADMM Cc1n[nH]c(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])c1C ZINC000909535833 620243980 /nfs/dbraw/zinc/24/39/80/620243980.db2.gz ZJLZBTRHXYGFPZ-IINYFYTJSA-N -1 1 279.340 1.790 20 0 CDADMM COC(=O)c1ccc(C(=O)OC[C@H]2CCCS2)[n-]1 ZINC000796941416 620435319 /nfs/dbraw/zinc/43/53/19/620435319.db2.gz BJZDKMQCHNQOMR-MRVPVSSYSA-N -1 1 269.322 1.854 20 0 CDADMM CN1CCCC[C@H]1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000909579820 620455725 /nfs/dbraw/zinc/45/57/25/620455725.db2.gz JYGXMAIZTTUBSD-OCCSQVGLSA-N -1 1 288.347 1.686 20 0 CDADMM CN(C(=O)CN1CCCC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000909639964 620532226 /nfs/dbraw/zinc/53/22/26/620532226.db2.gz HXJDKHORHSWXPO-CQSZACIVSA-N -1 1 290.363 1.237 20 0 CDADMM O=C(NCc1nc([O-])cc(=O)[nH]1)C1(Cc2ccccc2)CC1 ZINC000898757894 621861763 /nfs/dbraw/zinc/86/17/63/621861763.db2.gz UJZYDCMIMJCAKW-UHFFFAOYSA-N -1 1 299.330 1.527 20 0 CDADMM CC1(NC(=O)c2ccc3ccc(O)cc3c2[O-])COC1 ZINC000899166343 622080039 /nfs/dbraw/zinc/08/00/39/622080039.db2.gz LWKPUVDIRCKKCM-UHFFFAOYSA-N -1 1 273.288 1.770 20 0 CDADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1C[C@@H]2COC[C@@H]2C1 ZINC000899190094 622092168 /nfs/dbraw/zinc/09/21/68/622092168.db2.gz LPWXOSYGJBXVSC-TXEJJXNPSA-N -1 1 299.326 1.969 20 0 CDADMM Cc1ccc(CCNC(=O)c2cnc(C3CC3)[n-]c2=O)cn1 ZINC000900660255 623339971 /nfs/dbraw/zinc/33/99/71/623339971.db2.gz SMQSOWDZKVGYDV-UHFFFAOYSA-N -1 1 298.346 1.736 20 0 CDADMM C[C@@H]1C[C@@H](C)N(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000900794709 623494526 /nfs/dbraw/zinc/49/45/26/623494526.db2.gz AJISSNZDUYHHBA-RKDXNWHRSA-N -1 1 261.325 1.930 20 0 CDADMM CN(C[C@@H]1CCC[C@H]1O)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901207118 624001892 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1163702625 /nfs/dbraw/zinc/70/26/25/1163702625.db2.gz LBICSMCHKCQANA-MNOVXSKESA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccccc1CCNc1cc(-c2nnn[n-]2)ncn1 ZINC001605939893 1163721224 /nfs/dbraw/zinc/72/12/24/1163721224.db2.gz KBSLDMBYFIBHPF-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1ccccc1CCNc1cc(-c2nn[n-]n2)ncn1 ZINC001605939893 1163721227 /nfs/dbraw/zinc/72/12/27/1163721227.db2.gz KBSLDMBYFIBHPF-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1ccccc1COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001605941974 1163721254 /nfs/dbraw/zinc/72/12/54/1163721254.db2.gz GOZQYOHHTHCOQC-UHFFFAOYSA-N -1 1 295.302 1.927 20 0 CDADMM Cc1ccccc1COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001605941974 1163721258 /nfs/dbraw/zinc/72/12/58/1163721258.db2.gz GOZQYOHHTHCOQC-UHFFFAOYSA-N -1 1 295.302 1.927 20 0 CDADMM CN(C(=O)c1c[nH]cc2ncnc1-2)C(C)(C)CC(=O)[O-] ZINC001605986225 1163735820 /nfs/dbraw/zinc/73/58/20/1163735820.db2.gz GRTQPLGBJFUNCX-UHFFFAOYSA-N -1 1 276.296 1.283 20 0 CDADMM CN(C(=O)c1cccc(F)c1O)C(C)(C)CC(=O)[O-] ZINC001605985061 1163736985 /nfs/dbraw/zinc/73/69/85/1163736985.db2.gz RCCDLYVOKBQADS-UHFFFAOYSA-N -1 1 269.272 1.857 20 0 CDADMM CN(C)C1(C(=O)Nc2cccc(CC(=O)[O-])n2)CCC1 ZINC001606011104 1163742641 /nfs/dbraw/zinc/74/26/41/1163742641.db2.gz HIMWJDJJYYXKKH-UHFFFAOYSA-N -1 1 277.324 1.132 20 0 CDADMM Cc1noc(C)c1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001606131978 1163782552 /nfs/dbraw/zinc/78/25/52/1163782552.db2.gz UEOXDSMXTCWLGK-UHFFFAOYSA-N -1 1 288.267 1.625 20 0 CDADMM Cc1noc(C)c1NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001606131978 1163782557 /nfs/dbraw/zinc/78/25/57/1163782557.db2.gz UEOXDSMXTCWLGK-UHFFFAOYSA-N -1 1 288.267 1.625 20 0 CDADMM Cc1nsc(N2CCC[C@@H](CF)C2)c1-c1nn[n-]n1 ZINC001606145106 1163787882 /nfs/dbraw/zinc/78/78/82/1163787882.db2.gz WBVWVHXIWNFHGL-QMMMGPOBSA-N -1 1 282.348 1.818 20 0 CDADMM Clc1cccc(Cn2cnc(-c3nn[n-]n3)n2)c1Cl ZINC001606194647 1163802946 /nfs/dbraw/zinc/80/29/46/1163802946.db2.gz UPSHYKJJXGMOOW-UHFFFAOYSA-N -1 1 296.121 1.813 20 0 CDADMM Fc1cc(CNCc2nc(-c3nnn[n-]3)cs2)ccn1 ZINC001606310614 1163854653 /nfs/dbraw/zinc/85/46/53/1163854653.db2.gz VSQBXOOBWOYYHG-UHFFFAOYSA-N -1 1 291.315 1.147 20 0 CDADMM Fc1cc(CNCc2nc(-c3nn[n-]n3)cs2)ccn1 ZINC001606310614 1163854657 /nfs/dbraw/zinc/85/46/57/1163854657.db2.gz VSQBXOOBWOYYHG-UHFFFAOYSA-N -1 1 291.315 1.147 20 0 CDADMM Fc1ccccc1[C@@H]1C[C@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001606336326 1163866486 /nfs/dbraw/zinc/86/64/86/1163866486.db2.gz YHQCVSMQUVZLTL-GXSJLCMTSA-N -1 1 297.297 1.764 20 0 CDADMM Fc1ccccc1[C@@H]1C[C@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001606336326 1163866493 /nfs/dbraw/zinc/86/64/93/1163866493.db2.gz YHQCVSMQUVZLTL-GXSJLCMTSA-N -1 1 297.297 1.764 20 0 CDADMM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1CC[C@@H]1CCCCO1 ZINC001606384169 1163885980 /nfs/dbraw/zinc/88/59/80/1163885980.db2.gz BPQWLFFAAWUHGA-AGIUHOORSA-N -1 1 299.367 1.284 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1ocnc1C1CC1 ZINC001606934565 1164031992 /nfs/dbraw/zinc/03/19/92/1164031992.db2.gz GMABXZLNFWIEGQ-UHFFFAOYSA-N -1 1 297.278 1.379 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1ocnc1C1CC1 ZINC001606934565 1164031997 /nfs/dbraw/zinc/03/19/97/1164031997.db2.gz GMABXZLNFWIEGQ-UHFFFAOYSA-N -1 1 297.278 1.379 20 0 CDADMM O=c1c(-c2nn[n-]n2)cc2c(n1CCC1CCC1)CCC2 ZINC001607089405 1164073518 /nfs/dbraw/zinc/07/35/18/1164073518.db2.gz SEBVVJUNLCFRGO-UHFFFAOYSA-N -1 1 285.351 1.707 20 0 CDADMM c1cc(-c2nc(C[C@H]3CCCO3)no2)cc(-c2nnn[n-]2)n1 ZINC001607113760 1164094058 /nfs/dbraw/zinc/09/40/58/1164094058.db2.gz PDQKNFOGCGUAPC-SECBINFHSA-N -1 1 299.294 1.033 20 0 CDADMM c1cc(-c2nc(C[C@H]3CCCO3)no2)cc(-c2nn[n-]n2)n1 ZINC001607113760 1164094063 /nfs/dbraw/zinc/09/40/63/1164094063.db2.gz PDQKNFOGCGUAPC-SECBINFHSA-N -1 1 299.294 1.033 20 0 CDADMM c1cc(N2CC[C@@H]2C2CCCC2)nc(-c2nn[n-]n2)n1 ZINC001607119476 1164100853 /nfs/dbraw/zinc/10/08/53/1164100853.db2.gz BSJOJNMMCCWAOW-SNVBAGLBSA-N -1 1 271.328 1.426 20 0 CDADMM c1cnc([C@@H](Nc2cc(-c3nnn[n-]3)ncn2)C2CC2)nc1 ZINC001607133541 1164112310 /nfs/dbraw/zinc/11/23/10/1164112310.db2.gz JVKMFNMLWJVMSM-NSHDSACASA-N -1 1 295.310 1.010 20 0 CDADMM c1cnc([C@@H](Nc2cc(-c3nn[n-]n3)ncn2)C2CC2)nc1 ZINC001607133541 1164112314 /nfs/dbraw/zinc/11/23/14/1164112314.db2.gz JVKMFNMLWJVMSM-NSHDSACASA-N -1 1 295.310 1.010 20 0 CDADMM Cc1[nH]ncc1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001607500690 1164210562 /nfs/dbraw/zinc/21/05/62/1164210562.db2.gz YPEPRJFTIQNZCF-UHFFFAOYSA-N -1 1 277.255 1.737 20 0 CDADMM Cc1cc(CNC(C)(C)c2cc(C(=O)[O-])on2)n[nH]1 ZINC001607646563 1164255072 /nfs/dbraw/zinc/25/50/72/1164255072.db2.gz GUJVJEYANWJHLE-UHFFFAOYSA-N -1 1 264.285 1.429 20 0 CDADMM Cc1cc(F)ccc1CN1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001607665508 1164262776 /nfs/dbraw/zinc/26/27/76/1164262776.db2.gz YIYQJOUJKQBTHJ-OAHLLOKOSA-N -1 1 292.310 1.940 20 0 CDADMM Cc1cc2[nH]ncc2cc1NC(=O)c1cc(C(=O)[O-])on1 ZINC001607709665 1164276696 /nfs/dbraw/zinc/27/66/96/1164276696.db2.gz NKZVTAVIPUMSEI-UHFFFAOYSA-N -1 1 286.247 1.810 20 0 CDADMM Cc1ccc(C(=O)N(C)Cc2n[nH]c(=O)o2)cc1C(=O)[O-] ZINC001607725723 1164277726 /nfs/dbraw/zinc/27/77/26/1164277726.db2.gz HQCRRYRKWCVNIF-UHFFFAOYSA-N -1 1 291.263 1.054 20 0 CDADMM Cc1noc(CN(C)C[C@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC001608027868 1164383976 /nfs/dbraw/zinc/38/39/76/1164383976.db2.gz LPOPIEIDJXNGAO-GHMZBOCLSA-N -1 1 267.329 1.701 20 0 CDADMM Cn1ccc([C@@H](NCc2[nH]nc3ccccc32)C(=O)[O-])n1 ZINC001608127147 1164418370 /nfs/dbraw/zinc/41/83/70/1164418370.db2.gz VFTZPSXSTBQRBN-CYBMUJFWSA-N -1 1 285.307 1.212 20 0 CDADMM NCc1nc2c(s1)CCN(Cc1c[nH]c(C(=O)[O-])c1)C2 ZINC001608257666 1164472621 /nfs/dbraw/zinc/47/26/21/1164472621.db2.gz AYKCNZNZAUQEMH-UHFFFAOYSA-N -1 1 292.364 1.186 20 0 CDADMM O=C([O-])c1ccccc1NC(=O)CN1CCC[C@@H]1CCO ZINC001608330294 1164492542 /nfs/dbraw/zinc/49/25/42/1164492542.db2.gz DRCHEJKCAMFEOQ-LLVKDONJSA-N -1 1 292.335 1.170 20 0 CDADMM C[C@H](NC(=O)Nc1[n-]c(=O)nc2nc[nH]c21)c1ccccc1 ZINC001202511887 1164498596 /nfs/dbraw/zinc/49/85/96/1164498596.db2.gz URZIECCESUJVHS-QMMMGPOBSA-N -1 1 298.306 1.941 20 0 CDADMM O=C([O-])c1cccc(CN2CCC(c3ccncn3)CC2)n1 ZINC001608930885 1164687524 /nfs/dbraw/zinc/68/75/24/1164687524.db2.gz JKHFSSVHHQEBCX-UHFFFAOYSA-N -1 1 298.346 1.949 20 0 CDADMM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1cnc(C3CC3)[nH]1)C2 ZINC001609027147 1164734213 /nfs/dbraw/zinc/73/42/13/1164734213.db2.gz BXOQAOBXWMFREA-BONVTDFDSA-N -1 1 289.335 1.614 20 0 CDADMM C[C@H](CCO)CCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609111410 1164777023 /nfs/dbraw/zinc/77/70/23/1164777023.db2.gz RGNTWDUXPHOTGT-QMMMGPOBSA-N -1 1 295.368 1.067 20 0 CDADMM C[C@@H](O)C[C@H]1CCCCN1c1cccc(-c2nnn[n-]2)n1 ZINC001609129098 1164785573 /nfs/dbraw/zinc/78/55/73/1164785573.db2.gz XYNCCRBMHCZRKL-GHMZBOCLSA-N -1 1 288.355 1.392 20 0 CDADMM C[C@@H](O)C[C@H]1CCCCN1c1cccc(-c2nn[n-]n2)n1 ZINC001609129098 1164785581 /nfs/dbraw/zinc/78/55/81/1164785581.db2.gz XYNCCRBMHCZRKL-GHMZBOCLSA-N -1 1 288.355 1.392 20 0 CDADMM CC1(C2(Nc3cnc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001609148552 1164795421 /nfs/dbraw/zinc/79/54/21/1164795421.db2.gz BLBSNKBVXQQDPX-UHFFFAOYSA-N -1 1 257.301 1.401 20 0 CDADMM CC1(C2(Nc3cnc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001609148552 1164795431 /nfs/dbraw/zinc/79/54/31/1164795431.db2.gz BLBSNKBVXQQDPX-UHFFFAOYSA-N -1 1 257.301 1.401 20 0 CDADMM C[C@@H]1CC[C@@H](CNC(=O)c2csc(-c3nn[n-]n3)c2)O1 ZINC001609160471 1164805960 /nfs/dbraw/zinc/80/59/60/1164805960.db2.gz FWFXODCKEYXHPR-APPZFPTMSA-N -1 1 293.352 1.226 20 0 CDADMM C[C@H]1CCN(c2ncncc2-c2nn[n-]n2)C[C@H]1C ZINC001609169441 1164814028 /nfs/dbraw/zinc/81/40/28/1164814028.db2.gz ZARDIOKYSRAMSV-DTWKUNHWSA-N -1 1 259.317 1.139 20 0 CDADMM CCn1nc(C)c(CNc2n[nH]cc2-c2nnn[n-]2)c1C ZINC001609259776 1164868524 /nfs/dbraw/zinc/86/85/24/1164868524.db2.gz OVIQRFVJMQPWHA-UHFFFAOYSA-N -1 1 287.331 1.035 20 0 CDADMM CCn1nc(C)c(CNc2n[nH]cc2-c2nn[n-]n2)c1C ZINC001609259776 1164868530 /nfs/dbraw/zinc/86/85/30/1164868530.db2.gz OVIQRFVJMQPWHA-UHFFFAOYSA-N -1 1 287.331 1.035 20 0 CDADMM CO[C@](C)(CNc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001609307940 1164885190 /nfs/dbraw/zinc/88/51/90/1164885190.db2.gz WYDFZBXTQBEANU-CYBMUJFWSA-N -1 1 274.328 1.489 20 0 CDADMM CO[C@](C)(CNc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001609307940 1164885195 /nfs/dbraw/zinc/88/51/95/1164885195.db2.gz WYDFZBXTQBEANU-CYBMUJFWSA-N -1 1 274.328 1.489 20 0 CDADMM COC(C)(C)c1noc(-c2cccc(-c3nnn[n-]3)n2)n1 ZINC001609307424 1164886708 /nfs/dbraw/zinc/88/67/08/1164886708.db2.gz ALWGBGWTPPQYCC-UHFFFAOYSA-N -1 1 287.283 1.193 20 0 CDADMM COC(C)(C)c1noc(-c2cccc(-c3nn[n-]n3)n2)n1 ZINC001609307424 1164886717 /nfs/dbraw/zinc/88/67/17/1164886717.db2.gz ALWGBGWTPPQYCC-UHFFFAOYSA-N -1 1 287.283 1.193 20 0 CDADMM CO[C@@H]1CCC[C@@H]1CNc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001609314667 1164896140 /nfs/dbraw/zinc/89/61/40/1164896140.db2.gz PRMDJTYIUFCRNU-ZWNOBZJWSA-N -1 1 288.355 1.797 20 0 CDADMM CO[C@@H]1CCC[C@@H]1CNc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001609314667 1164896145 /nfs/dbraw/zinc/89/61/45/1164896145.db2.gz PRMDJTYIUFCRNU-ZWNOBZJWSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC3(CCC3)[C@H]2C(C)C)n1 ZINC001609391762 1164924133 /nfs/dbraw/zinc/92/41/33/1164924133.db2.gz UMFXRBKWIORCQJ-GFCCVEGCSA-N -1 1 299.382 1.980 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC3(CCC3)[C@H]2C(C)C)n1 ZINC001609391762 1164924138 /nfs/dbraw/zinc/92/41/38/1164924138.db2.gz UMFXRBKWIORCQJ-GFCCVEGCSA-N -1 1 299.382 1.980 20 0 CDADMM Cc1nsc(NC(=O)N2CC=CCC2)c1-c1nnn[n-]1 ZINC001609465017 1164962085 /nfs/dbraw/zinc/96/20/85/1164962085.db2.gz KJSYOAIDBPLFTF-UHFFFAOYSA-N -1 1 291.340 1.425 20 0 CDADMM Cc1nsc(NC(=O)N2CC=CCC2)c1-c1nn[n-]n1 ZINC001609465017 1164962090 /nfs/dbraw/zinc/96/20/90/1164962090.db2.gz KJSYOAIDBPLFTF-UHFFFAOYSA-N -1 1 291.340 1.425 20 0 CDADMM Cc1nsc(NC[C@H](C)C[C@H](C)O)c1-c1nn[n-]n1 ZINC001609466441 1164962815 /nfs/dbraw/zinc/96/28/15/1164962815.db2.gz VPSBUTCVKBETOA-RQJHMYQMSA-N -1 1 282.373 1.451 20 0 CDADMM Cn1ccnc1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001609481106 1164967631 /nfs/dbraw/zinc/96/76/31/1164967631.db2.gz WZWSJMGUHLSKQT-UHFFFAOYSA-N -1 1 296.747 1.322 20 0 CDADMM Cn1ccnc1CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609481106 1164967636 /nfs/dbraw/zinc/96/76/36/1164967636.db2.gz WZWSJMGUHLSKQT-UHFFFAOYSA-N -1 1 296.747 1.322 20 0 CDADMM Clc1nc(N[C@@H]2CCSC2)sc1-c1nnn[n-]1 ZINC001609474488 1164968033 /nfs/dbraw/zinc/96/80/33/1164968033.db2.gz BXOOUVCTVVUBAT-SCSAIBSYSA-N -1 1 288.789 1.894 20 0 CDADMM Clc1nc(N[C@@H]2CCSC2)sc1-c1nn[n-]n1 ZINC001609474488 1164968037 /nfs/dbraw/zinc/96/80/37/1164968037.db2.gz BXOOUVCTVVUBAT-SCSAIBSYSA-N -1 1 288.789 1.894 20 0 CDADMM O[C@H](CNc1cc(-c2nnn[n-]2)ncn1)C1CCCCC1 ZINC001609606783 1165001710 /nfs/dbraw/zinc/00/17/10/1165001710.db2.gz XKQSAQZESMCEHH-LLVKDONJSA-N -1 1 289.343 1.010 20 0 CDADMM O[C@H](CNc1cc(-c2nn[n-]n2)ncn1)C1CCCCC1 ZINC001609606783 1165001712 /nfs/dbraw/zinc/00/17/12/1165001712.db2.gz XKQSAQZESMCEHH-LLVKDONJSA-N -1 1 289.343 1.010 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(-c2nc(C[C@H]3CCCO3)no2)c1 ZINC001609613175 1165007199 /nfs/dbraw/zinc/00/71/99/1165007199.db2.gz PTHAAONKAMRQOU-MRVPVSSYSA-N -1 1 299.294 1.033 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(-c2nc(C[C@H]3CCCO3)no2)c1 ZINC001609613175 1165007202 /nfs/dbraw/zinc/00/72/02/1165007202.db2.gz PTHAAONKAMRQOU-MRVPVSSYSA-N -1 1 299.294 1.033 20 0 CDADMM c1cc(Nc2cc(-c3nnn[n-]3)ncn2)cc2c1CCC2 ZINC001609621208 1165017190 /nfs/dbraw/zinc/01/71/90/1165017190.db2.gz VBZQGQUNCLQHNZ-UHFFFAOYSA-N -1 1 279.307 1.889 20 0 CDADMM c1cc(Nc2cc(-c3nn[n-]n3)ncn2)cc2c1CCC2 ZINC001609621208 1165017195 /nfs/dbraw/zinc/01/71/95/1165017195.db2.gz VBZQGQUNCLQHNZ-UHFFFAOYSA-N -1 1 279.307 1.889 20 0 CDADMM CC(C)(CS(=O)(=O)Nc1cc(F)ccc1O)C(=O)[O-] ZINC001609677795 1165035934 /nfs/dbraw/zinc/03/59/34/1165035934.db2.gz FDZGDVOKWNBOGR-UHFFFAOYSA-N -1 1 291.300 1.384 20 0 CDADMM CCO[C@@H]1C[C@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001610029646 1165190435 /nfs/dbraw/zinc/19/04/35/1165190435.db2.gz UXHDEPMWQODNPD-PSASIEDQSA-N -1 1 289.291 1.625 20 0 CDADMM CCc1oc(C(=O)[O-])cc1CN1CC[C@H](NC(C)=O)C1 ZINC001610075807 1165205755 /nfs/dbraw/zinc/20/57/55/1165205755.db2.gz ZEVDEFBLVQVAHT-NSHDSACASA-N -1 1 280.324 1.251 20 0 CDADMM Cn1cc(CNc2cnccc2-n2cccn2)cc1C(=O)[O-] ZINC001610604472 1165375124 /nfs/dbraw/zinc/37/51/24/1165375124.db2.gz KOZJIIQYHRTILO-UHFFFAOYSA-N -1 1 297.318 1.916 20 0 CDADMM O=C([O-])[C@H](C1CC1)N1CCc2c(nnn2-c2ccccc2)C1 ZINC001610714069 1165412328 /nfs/dbraw/zinc/41/23/28/1165412328.db2.gz GUJWRECSCWTWBA-HNNXBMFYSA-N -1 1 298.346 1.489 20 0 CDADMM O=C([O-])CSCCc1nc([C@H]2CN3CCC2CC3)no1 ZINC001610790104 1165443088 /nfs/dbraw/zinc/44/30/88/1165443088.db2.gz HSMCBPPQNBMION-JTQLQIEISA-N -1 1 297.380 1.239 20 0 CDADMM O=C([O-])c1cc(C[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c[nH]1 ZINC001610811122 1165450207 /nfs/dbraw/zinc/45/02/07/1165450207.db2.gz NGDCVJUJPVKQLN-WXHSDQCUSA-N -1 1 292.335 1.931 20 0 CDADMM CN(C(=O)Cc1c[nH]c2ccc(F)cc12)c1nn[n-]n1 ZINC001617642367 1165603140 /nfs/dbraw/zinc/60/31/40/1165603140.db2.gz OEOUMJGSVNKEKP-UHFFFAOYSA-N -1 1 274.259 1.026 20 0 CDADMM O=C(Nc1nn[n-]n1)c1cc2sccc2c(O)c1 ZINC001618458663 1165632722 /nfs/dbraw/zinc/63/27/22/1165632722.db2.gz AKGNYYIQCVOFLK-UHFFFAOYSA-N -1 1 261.266 1.372 20 0 CDADMM O=C(Nc1nn[n-]n1)c1c(C(F)(F)F)nc2ccccn21 ZINC001628638514 1166085944 /nfs/dbraw/zinc/08/59/44/1166085944.db2.gz SNUWBEXVCJVDLG-UHFFFAOYSA-N -1 1 297.200 1.119 20 0 CDADMM Cc1nnc(CNC(=O)c2ccc3ccc(O)cc3c2[O-])o1 ZINC001630467302 1166209798 /nfs/dbraw/zinc/20/97/98/1166209798.db2.gz VLUCQYMKPPHSDL-UHFFFAOYSA-N -1 1 299.286 1.872 20 0 CDADMM CCc1onc(C)c1NC(=O)CCCc1nn[n-]n1 ZINC001630657918 1166221330 /nfs/dbraw/zinc/22/13/30/1166221330.db2.gz UROLZDVDVHJNRG-UHFFFAOYSA-N -1 1 264.289 1.020 20 0 CDADMM CN(Cc1nc(=O)n(C)[n-]1)c1cccc2cccnc21 ZINC001642926612 1167211685 /nfs/dbraw/zinc/21/16/85/1167211685.db2.gz IOVNWZMHTYRRMP-UHFFFAOYSA-N -1 1 269.308 1.293 20 0 CDADMM O=C(NCCc1cnoc1)c1cccc([O-])c1F ZINC001645553442 1167417152 /nfs/dbraw/zinc/41/71/52/1167417152.db2.gz XDSZJZXRPRPIKT-UHFFFAOYSA-N -1 1 250.229 1.492 20 0 CDADMM CSc1nc(CNc2cc(Cl)nc(N)n2)cc(=O)[n-]1 ZINC001458462020 1167739769 /nfs/dbraw/zinc/73/97/69/1167739769.db2.gz SWGDGFGBUNJVLG-UHFFFAOYSA-N -1 1 298.759 1.542 20 0 CDADMM CC1(C)C[C@@H](C(=O)N2CCC(c3nn[n-]n3)CC2)CCO1 ZINC001647604473 1168921476 /nfs/dbraw/zinc/92/14/76/1168921476.db2.gz FKFFSQQFWQSPGQ-NSHDSACASA-N -1 1 293.371 1.111 20 0 CDADMM CCCCn1nc(C)c(CNC[C@@H](O)C(=O)[O-])c1Cl ZINC001650015200 1169609407 /nfs/dbraw/zinc/60/94/07/1169609407.db2.gz IOCNMJVTILJJJK-SNVBAGLBSA-N -1 1 289.763 1.180 20 0 CDADMM Cn1cc(C(=O)[O-])c(NC(=O)c2cccc(F)c2O)n1 ZINC001574213087 1170921413 /nfs/dbraw/zinc/92/14/13/1170921413.db2.gz VWQIAZLAMOCPHW-UHFFFAOYSA-N -1 1 279.227 1.215 20 0 CDADMM O=C(CN1CCC[C@H](C(=O)[O-])C1)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC001574299567 1170942869 /nfs/dbraw/zinc/94/28/69/1170942869.db2.gz OLHIGHPTXMFNQL-VOAKCMCISA-N -1 1 280.368 1.088 20 0 CDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1c[n-][nH]c1=O ZINC001651044604 1171281072 /nfs/dbraw/zinc/28/10/72/1171281072.db2.gz QLCRIBQUPSVICM-SCZZXKLOSA-N -1 1 253.302 1.649 20 0 CDADMM C[C@]12CCCC[C@H]1CN2C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001580456543 1172441247 /nfs/dbraw/zinc/44/12/47/1172441247.db2.gz FERHBMPREJMMCC-BONVTDFDSA-N -1 1 298.350 1.666 20 0 CDADMM C[C@]12CCCC[C@H]1CN2C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001580456543 1172441251 /nfs/dbraw/zinc/44/12/51/1172441251.db2.gz FERHBMPREJMMCC-BONVTDFDSA-N -1 1 298.350 1.666 20 0 CDADMM O=C(Nc1cc(F)c(O)cc1Cl)C1=NOC2(CNC2)C1 ZINC001580759612 1172533892 /nfs/dbraw/zinc/53/38/92/1172533892.db2.gz NVMBNHONOQHCDK-UHFFFAOYSA-N -1 1 299.689 1.242 20 0 CDADMM Clc1cc(CNc2cncc(-c3nnn[n-]3)n2)ccn1 ZINC001581746685 1172619311 /nfs/dbraw/zinc/61/93/11/1172619311.db2.gz YLTYJOGIFMUTFV-UHFFFAOYSA-N -1 1 288.702 1.317 20 0 CDADMM Clc1cc(CNc2cncc(-c3nn[n-]n3)n2)ccn1 ZINC001581746685 1172619315 /nfs/dbraw/zinc/61/93/15/1172619315.db2.gz YLTYJOGIFMUTFV-UHFFFAOYSA-N -1 1 288.702 1.317 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@]12C[C@H]1CCC2 ZINC001582645076 1172686399 /nfs/dbraw/zinc/68/63/99/1172686399.db2.gz LEOYIQZXCJYJSM-AMIZOPFISA-N -1 1 270.296 1.390 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@]12C[C@H]1CCC2 ZINC001582645076 1172686402 /nfs/dbraw/zinc/68/64/02/1172686402.db2.gz LEOYIQZXCJYJSM-AMIZOPFISA-N -1 1 270.296 1.390 20 0 CDADMM O=C(c1cccc([O-])c1F)N1CCCn2nccc21 ZINC001584015375 1172794865 /nfs/dbraw/zinc/79/48/65/1172794865.db2.gz PWLBVNKQYAGGNJ-UHFFFAOYSA-N -1 1 261.256 1.778 20 0 CDADMM C=C/C=C/CCn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001588531022 1173077975 /nfs/dbraw/zinc/07/79/75/1173077975.db2.gz WYJHRGGUFHFJBH-ONEGZZNKSA-N -1 1 283.335 1.649 20 0 CDADMM C=Cc1ccc(CCNc2nccnc2-c2nnn[n-]2)cc1 ZINC001588733835 1173102763 /nfs/dbraw/zinc/10/27/63/1173102763.db2.gz FFODJQIFRQXYHG-UHFFFAOYSA-N -1 1 293.334 1.954 20 0 CDADMM C=Cc1ccc(CCNc2nccnc2-c2nn[n-]n2)cc1 ZINC001588733835 1173102770 /nfs/dbraw/zinc/10/27/70/1173102770.db2.gz FFODJQIFRQXYHG-UHFFFAOYSA-N -1 1 293.334 1.954 20 0 CDADMM CC(=CC(C)(C)C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001588768885 1173106086 /nfs/dbraw/zinc/10/60/86/1173106086.db2.gz QRIFQQWSWDAQOA-ALCCZGGFSA-N -1 1 275.316 1.278 20 0 CDADMM CC(C)(C)[C@@H]1CCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589105842 1173124962 /nfs/dbraw/zinc/12/49/62/1173124962.db2.gz YUEWKCHTHXGRLL-JTQLQIEISA-N -1 1 275.312 1.720 20 0 CDADMM CC(C)(C)[C@@H]1CCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589105842 1173124965 /nfs/dbraw/zinc/12/49/65/1173124965.db2.gz YUEWKCHTHXGRLL-JTQLQIEISA-N -1 1 275.312 1.720 20 0 CDADMM CC(C)(C)C[C@@H](O)CNc1cccnc1-c1nnn[n-]1 ZINC001589119418 1173125954 /nfs/dbraw/zinc/12/59/54/1173125954.db2.gz QIHQMXOTNXNEHZ-SECBINFHSA-N -1 1 276.344 1.471 20 0 CDADMM CC(C)(C)C[C@@H](O)CNc1cccnc1-c1nn[n-]n1 ZINC001589119418 1173125960 /nfs/dbraw/zinc/12/59/60/1173125960.db2.gz QIHQMXOTNXNEHZ-SECBINFHSA-N -1 1 276.344 1.471 20 0 CDADMM CC(C)[C@]1(C)C[C@@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589490221 1173148352 /nfs/dbraw/zinc/14/83/52/1173148352.db2.gz IBQWMIHBRIGRBW-AAEUAGOBSA-N -1 1 258.329 1.530 20 0 CDADMM CC(C)[C@]1(C)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589490221 1173148356 /nfs/dbraw/zinc/14/83/56/1173148356.db2.gz IBQWMIHBRIGRBW-AAEUAGOBSA-N -1 1 258.329 1.530 20 0 CDADMM CC(C)O[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001589739425 1173170212 /nfs/dbraw/zinc/17/02/12/1173170212.db2.gz JYUKOAVAVRGZQL-SNVBAGLBSA-N -1 1 289.343 1.051 20 0 CDADMM CC(C)O[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001589739425 1173170216 /nfs/dbraw/zinc/17/02/16/1173170216.db2.gz JYUKOAVAVRGZQL-SNVBAGLBSA-N -1 1 289.343 1.051 20 0 CDADMM CC(C)SCCNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589761296 1173174345 /nfs/dbraw/zinc/17/43/45/1173174345.db2.gz GKSSALJBJUQLMB-UHFFFAOYSA-N -1 1 292.368 1.133 20 0 CDADMM CC(C)SCCNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589761296 1173174350 /nfs/dbraw/zinc/17/43/50/1173174350.db2.gz GKSSALJBJUQLMB-UHFFFAOYSA-N -1 1 292.368 1.133 20 0 CDADMM C[C@H](C[C@@H]1CCOC1)OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589803025 1173183496 /nfs/dbraw/zinc/18/34/96/1173183496.db2.gz MXEJVXGZAVOMJQ-BDAKNGLRSA-N -1 1 292.295 1.432 20 0 CDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001589880043 1173194039 /nfs/dbraw/zinc/19/40/39/1173194039.db2.gz ZCNLEPHKYYEDFN-JTQLQIEISA-N -1 1 281.323 1.872 20 0 CDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001589880043 1173194048 /nfs/dbraw/zinc/19/40/48/1173194048.db2.gz ZCNLEPHKYYEDFN-JTQLQIEISA-N -1 1 281.323 1.872 20 0 CDADMM C[C@H](Cc1ccco1)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589903336 1173201161 /nfs/dbraw/zinc/20/11/61/1173201161.db2.gz ZHWZOTIFRSOYRF-SECBINFHSA-N -1 1 298.306 1.216 20 0 CDADMM C[C@H](Cc1ccco1)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589903336 1173201164 /nfs/dbraw/zinc/20/11/64/1173201164.db2.gz ZHWZOTIFRSOYRF-SECBINFHSA-N -1 1 298.306 1.216 20 0 CDADMM CC1(C)C[C@@H](Nc2cccnc2-c2nnn[n-]2)CO1 ZINC001590084005 1173248512 /nfs/dbraw/zinc/24/85/12/1173248512.db2.gz RSBHPFKLFGVSJF-MRVPVSSYSA-N -1 1 260.301 1.241 20 0 CDADMM CC1(C)C[C@@H](Nc2cccnc2-c2nn[n-]n2)CO1 ZINC001590084005 1173248514 /nfs/dbraw/zinc/24/85/14/1173248514.db2.gz RSBHPFKLFGVSJF-MRVPVSSYSA-N -1 1 260.301 1.241 20 0 CDADMM CC1(C)C[C@H]1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590088575 1173251748 /nfs/dbraw/zinc/25/17/48/1173251748.db2.gz YNSQOGZLFKOKGO-ZETCQYMHSA-N -1 1 258.285 1.246 20 0 CDADMM CC1(C)C[C@H]1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590088575 1173251751 /nfs/dbraw/zinc/25/17/51/1173251751.db2.gz YNSQOGZLFKOKGO-ZETCQYMHSA-N -1 1 258.285 1.246 20 0 CDADMM CC1(C)CC[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590092278 1173255010 /nfs/dbraw/zinc/25/50/10/1173255010.db2.gz GHSYCPPLAPYYKF-SECBINFHSA-N -1 1 287.327 1.572 20 0 CDADMM CC1(C)CC[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590092278 1173255013 /nfs/dbraw/zinc/25/50/13/1173255013.db2.gz GHSYCPPLAPYYKF-SECBINFHSA-N -1 1 287.327 1.572 20 0 CDADMM C[C@H]1CCCC[C@@H]1CC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001590251033 1173320140 /nfs/dbraw/zinc/32/01/40/1173320140.db2.gz HFBBDTHJKSHHLY-DTWKUNHWSA-N -1 1 289.343 1.745 20 0 CDADMM C[C@@H]1CCCCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590259541 1173322372 /nfs/dbraw/zinc/32/23/72/1173322372.db2.gz KROQNEAWXHAQJX-SECBINFHSA-N -1 1 287.327 1.668 20 0 CDADMM C[C@@H]1CCCCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590259541 1173322381 /nfs/dbraw/zinc/32/23/81/1173322381.db2.gz KROQNEAWXHAQJX-SECBINFHSA-N -1 1 287.327 1.668 20 0 CDADMM CC[C@@H](C)CONC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590411232 1173398810 /nfs/dbraw/zinc/39/88/10/1173398810.db2.gz WHGYYQXHUQMEDY-MRVPVSSYSA-N -1 1 291.315 1.361 20 0 CDADMM CC[C@@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)[C@@H]1CCCO1 ZINC001590472343 1173424954 /nfs/dbraw/zinc/42/49/54/1173424954.db2.gz TVIUWZRRUHGCJD-KOLCDFICSA-N -1 1 289.343 1.335 20 0 CDADMM CC[C@@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)[C@@H]1CCCO1 ZINC001590472343 1173424956 /nfs/dbraw/zinc/42/49/56/1173424956.db2.gz TVIUWZRRUHGCJD-KOLCDFICSA-N -1 1 289.343 1.335 20 0 CDADMM CC[C@@H]1C[C@@H](Nc2cccnc2-c2nnn[n-]2)CCO1 ZINC001590505238 1173440576 /nfs/dbraw/zinc/44/05/76/1173440576.db2.gz OQTDPZGEJFMVNA-VHSXEESVSA-N -1 1 274.328 1.631 20 0 CDADMM CC[C@@H]1C[C@@H](Nc2cccnc2-c2nn[n-]n2)CCO1 ZINC001590505238 1173440585 /nfs/dbraw/zinc/44/05/85/1173440585.db2.gz OQTDPZGEJFMVNA-VHSXEESVSA-N -1 1 274.328 1.631 20 0 CDADMM CC[C@@H]1CCCCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001590513667 1173443975 /nfs/dbraw/zinc/44/39/75/1173443975.db2.gz VVPBYCFEZCPXFB-SECBINFHSA-N -1 1 259.317 1.426 20 0 CDADMM CC[C@@H]1CCCCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001590513667 1173443980 /nfs/dbraw/zinc/44/39/80/1173443980.db2.gz VVPBYCFEZCPXFB-SECBINFHSA-N -1 1 259.317 1.426 20 0 CDADMM CCC[C@](C)(CO)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590542627 1173454884 /nfs/dbraw/zinc/45/48/84/1173454884.db2.gz BNEJFKGRQKBSBC-GFCCVEGCSA-N -1 1 295.368 1.209 20 0 CDADMM CCC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001590571396 1173465476 /nfs/dbraw/zinc/46/54/76/1173465476.db2.gz APWJUDXAMNZIJF-VIFPVBQESA-N -1 1 259.317 1.426 20 0 CDADMM CCC[C@H]1CCCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590571435 1173466571 /nfs/dbraw/zinc/46/65/71/1173466571.db2.gz CKJPSSRDSPIZHC-JTQLQIEISA-N -1 1 286.339 1.666 20 0 CDADMM CCC[C@H]1CCCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590571435 1173466576 /nfs/dbraw/zinc/46/65/76/1173466576.db2.gz CKJPSSRDSPIZHC-JTQLQIEISA-N -1 1 286.339 1.666 20 0 CDADMM CCCOc1ccnc(Oc2cccnc2-c2nnn[n-]2)n1 ZINC001590648005 1173483751 /nfs/dbraw/zinc/48/37/51/1173483751.db2.gz OWJYTRRSWQWQFG-UHFFFAOYSA-N -1 1 299.294 1.633 20 0 CDADMM CCCOc1ccnc(Oc2cccnc2-c2nn[n-]n2)n1 ZINC001590648005 1173483756 /nfs/dbraw/zinc/48/37/56/1173483756.db2.gz OWJYTRRSWQWQFG-UHFFFAOYSA-N -1 1 299.294 1.633 20 0 CDADMM CCN(C[C@H]1CCCO1)c1cc(C)cc(-c2nnn[n-]2)n1 ZINC001590691501 1173492189 /nfs/dbraw/zinc/49/21/89/1173492189.db2.gz QLLVBOWEWQSMMV-LLVKDONJSA-N -1 1 288.355 1.575 20 0 CDADMM CCN(C[C@H]1CCCO1)c1cc(C)cc(-c2nn[n-]n2)n1 ZINC001590691501 1173492192 /nfs/dbraw/zinc/49/21/92/1173492192.db2.gz QLLVBOWEWQSMMV-LLVKDONJSA-N -1 1 288.355 1.575 20 0 CDADMM CCNc1ccc(Nc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001590748409 1173504998 /nfs/dbraw/zinc/50/49/98/1173504998.db2.gz VMSXVGQQNYMKJT-UHFFFAOYSA-N -1 1 283.299 1.227 20 0 CDADMM CCNc1ccc(Nc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001590748409 1173505001 /nfs/dbraw/zinc/50/50/01/1173505001.db2.gz VMSXVGQQNYMKJT-UHFFFAOYSA-N -1 1 283.299 1.227 20 0 CDADMM CCOc1cccc(CNc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001590841629 1173525470 /nfs/dbraw/zinc/52/54/70/1173525470.db2.gz YNUJZMIEXMPATM-UHFFFAOYSA-N -1 1 285.311 1.601 20 0 CDADMM CCOc1cccc(CNc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001590841629 1173525477 /nfs/dbraw/zinc/52/54/77/1173525477.db2.gz YNUJZMIEXMPATM-UHFFFAOYSA-N -1 1 285.311 1.601 20 0 CDADMM CC(C)(NC(=O)c1cccc(C(=O)[O-])c1)c1c[nH]nn1 ZINC001590863793 1173531147 /nfs/dbraw/zinc/53/11/47/1173531147.db2.gz FAIJIVNHNLMGSJ-UHFFFAOYSA-N -1 1 274.280 1.168 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N(CC)C[C@@H](C)OC)n1 ZINC001590904624 1173539831 /nfs/dbraw/zinc/53/98/31/1173539831.db2.gz CHIAHXYFFXDJFQ-SECBINFHSA-N -1 1 291.359 1.080 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N(CC)C[C@@H](C)OC)n1 ZINC001590904624 1173539835 /nfs/dbraw/zinc/53/98/35/1173539835.db2.gz CHIAHXYFFXDJFQ-SECBINFHSA-N -1 1 291.359 1.080 20 0 CDADMM CN(c1cc(-c2nnn[n-]2)ncn1)C1CCCCCC1 ZINC001591154597 1173585857 /nfs/dbraw/zinc/58/58/57/1173585857.db2.gz AOPVFETYLVFPSB-UHFFFAOYSA-N -1 1 273.344 1.816 20 0 CDADMM CN(c1cc(-c2nn[n-]n2)ncn1)C1CCCCCC1 ZINC001591154597 1173585862 /nfs/dbraw/zinc/58/58/62/1173585862.db2.gz AOPVFETYLVFPSB-UHFFFAOYSA-N -1 1 273.344 1.816 20 0 CDADMM CO[C@@H]1C[C@@H](Nc2cc(C)cc(-c3nnn[n-]3)n2)C1(C)C ZINC001591351156 1173621601 /nfs/dbraw/zinc/62/16/01/1173621601.db2.gz YQQRUXQKFIPSOR-GHMZBOCLSA-N -1 1 288.355 1.796 20 0 CDADMM CO[C@@H]1C[C@@H](Nc2cc(C)cc(-c3nn[n-]n3)n2)C1(C)C ZINC001591351156 1173621604 /nfs/dbraw/zinc/62/16/04/1173621604.db2.gz YQQRUXQKFIPSOR-GHMZBOCLSA-N -1 1 288.355 1.796 20 0 CDADMM CO[C@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)n2)C12CCC2 ZINC001591350225 1173621698 /nfs/dbraw/zinc/62/16/98/1173621698.db2.gz OTVLJGCCESMIHO-QWRGUYRKSA-N -1 1 286.339 1.631 20 0 CDADMM CO[C@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)n2)C12CCC2 ZINC001591350225 1173621703 /nfs/dbraw/zinc/62/17/03/1173621703.db2.gz OTVLJGCCESMIHO-QWRGUYRKSA-N -1 1 286.339 1.631 20 0 CDADMM CO[C@H]1CCC[C@@H]1CNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001591362272 1173631341 /nfs/dbraw/zinc/63/13/41/1173631341.db2.gz QYUGGKURCAQNCT-PWSUYJOCSA-N -1 1 288.355 1.797 20 0 CDADMM CO[C@H]1CCC[C@@H]1CNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001591362272 1173631344 /nfs/dbraw/zinc/63/13/44/1173631344.db2.gz QYUGGKURCAQNCT-PWSUYJOCSA-N -1 1 288.355 1.797 20 0 CDADMM COCc1ccc(CNc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001591456211 1173653770 /nfs/dbraw/zinc/65/37/70/1173653770.db2.gz JNSQFPHWTXEKSR-UHFFFAOYSA-N -1 1 296.334 1.442 20 0 CDADMM COCc1ccc(CNc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001591456211 1173653773 /nfs/dbraw/zinc/65/37/73/1173653773.db2.gz JNSQFPHWTXEKSR-UHFFFAOYSA-N -1 1 296.334 1.442 20 0 CDADMM COc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c(C)c1 ZINC001591574071 1173671377 /nfs/dbraw/zinc/67/13/77/1173671377.db2.gz TWUKDCRRFZPGHW-UHFFFAOYSA-N -1 1 299.294 1.159 20 0 CDADMM COc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c(C)c1 ZINC001591574071 1173671381 /nfs/dbraw/zinc/67/13/81/1173671381.db2.gz TWUKDCRRFZPGHW-UHFFFAOYSA-N -1 1 299.294 1.159 20 0 CDADMM C[C@@H](OC(=O)c1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001591732750 1173693374 /nfs/dbraw/zinc/69/33/74/1173693374.db2.gz MJGKXOUDUZHTMZ-SSDOTTSWSA-N -1 1 276.271 1.961 20 0 CDADMM C[C@@H](OC(=O)c1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001591732750 1173693378 /nfs/dbraw/zinc/69/33/78/1173693378.db2.gz MJGKXOUDUZHTMZ-SSDOTTSWSA-N -1 1 276.271 1.961 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1 ZINC001591883896 1173736684 /nfs/dbraw/zinc/73/66/84/1173736684.db2.gz LDXLTHVIZMBJRY-GAFUQQFSSA-N -1 1 299.382 1.980 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1 ZINC001591883896 1173736691 /nfs/dbraw/zinc/73/66/91/1173736691.db2.gz LDXLTHVIZMBJRY-GAFUQQFSSA-N -1 1 299.382 1.980 20 0 CDADMM Cc1ccsc1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001591900916 1173744057 /nfs/dbraw/zinc/74/40/57/1173744057.db2.gz JKYBMPIONFJBOL-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1ccsc1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001591900916 1173744063 /nfs/dbraw/zinc/74/40/63/1173744063.db2.gz JKYBMPIONFJBOL-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1cc(F)c(-c2nn[n-]n2)c(S[C@H](C)CO)c1 ZINC001591982523 1173767180 /nfs/dbraw/zinc/76/71/80/1173767180.db2.gz KLUWXADRKNOSQZ-SSDOTTSWSA-N -1 1 268.317 1.787 20 0 CDADMM Cc1cc(NCCC(F)F)nc(-c2nnn[n-]2)c1 ZINC001592046173 1173787439 /nfs/dbraw/zinc/78/74/39/1173787439.db2.gz QJGMAJJGJMZDPH-UHFFFAOYSA-N -1 1 254.244 1.637 20 0 CDADMM Cc1cc(NCCC(F)F)nc(-c2nn[n-]n2)c1 ZINC001592046173 1173787442 /nfs/dbraw/zinc/78/74/42/1173787442.db2.gz QJGMAJJGJMZDPH-UHFFFAOYSA-N -1 1 254.244 1.637 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC[C@H](CF)C1 ZINC001592110120 1173802496 /nfs/dbraw/zinc/80/24/96/1173802496.db2.gz JTFLAYMATSGHAH-SNVBAGLBSA-N -1 1 276.319 1.756 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCc1ccoc1 ZINC001592112467 1173802969 /nfs/dbraw/zinc/80/29/69/1173802969.db2.gz LVUYENZHRNXEQX-UHFFFAOYSA-N -1 1 256.269 1.775 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCCC[C@@H](C)O ZINC001592112940 1173804392 /nfs/dbraw/zinc/80/43/92/1173804392.db2.gz CAUDQLUOUYKVAY-SECBINFHSA-N -1 1 262.317 1.143 20 0 CDADMM Cc1ccc(F)c(CN(C)c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001592173979 1173823846 /nfs/dbraw/zinc/82/38/46/1173823846.db2.gz ZLUZUERZEOUQMC-UHFFFAOYSA-N -1 1 299.313 1.741 20 0 CDADMM Cc1[nH]nc(NCc2cc(C)ccc2F)c1-c1nnn[n-]1 ZINC001592173555 1173824114 /nfs/dbraw/zinc/82/41/14/1173824114.db2.gz GFAQPJVXSQHKIF-UHFFFAOYSA-N -1 1 287.302 1.958 20 0 CDADMM Cc1[nH]nc(NCc2cc(C)ccc2F)c1-c1nn[n-]n1 ZINC001592173555 1173824121 /nfs/dbraw/zinc/82/41/21/1173824121.db2.gz GFAQPJVXSQHKIF-UHFFFAOYSA-N -1 1 287.302 1.958 20 0 CDADMM Cc1ccc(N2CCSCC2)c(-c2nnn[n-]2)n1 ZINC001592177453 1173824912 /nfs/dbraw/zinc/82/49/12/1173824912.db2.gz WARSDGWKJKBZHL-UHFFFAOYSA-N -1 1 262.342 1.123 20 0 CDADMM Cc1ccc(N2CCSCC2)c(-c2nn[n-]n2)n1 ZINC001592177453 1173824916 /nfs/dbraw/zinc/82/49/16/1173824916.db2.gz WARSDGWKJKBZHL-UHFFFAOYSA-N -1 1 262.342 1.123 20 0 CDADMM Cc1ccc(N2CC[C@H]3COC[C@@H]3C2)c(-c2nnn[n-]2)n1 ZINC001592177574 1173825186 /nfs/dbraw/zinc/82/51/86/1173825186.db2.gz BOBYHYICWLEQFI-QWRGUYRKSA-N -1 1 286.339 1.043 20 0 CDADMM Cc1ccc(N2CC[C@H]3COC[C@@H]3C2)c(-c2nn[n-]n2)n1 ZINC001592177574 1173825190 /nfs/dbraw/zinc/82/51/90/1173825190.db2.gz BOBYHYICWLEQFI-QWRGUYRKSA-N -1 1 286.339 1.043 20 0 CDADMM Cc1cncc(CCNc2cccc(-c3nnn[n-]3)n2)n1 ZINC001592298594 1173848998 /nfs/dbraw/zinc/84/89/98/1173848998.db2.gz HMVSHRAOJLRQCI-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1cncc(CCNc2cccc(-c3nn[n-]n3)n2)n1 ZINC001592298594 1173849002 /nfs/dbraw/zinc/84/90/02/1173849002.db2.gz HMVSHRAOJLRQCI-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1conc1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001592311989 1173851547 /nfs/dbraw/zinc/85/15/47/1173851547.db2.gz PORYHPHJBNWOIJ-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1conc1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001592311989 1173851551 /nfs/dbraw/zinc/85/15/51/1173851551.db2.gz PORYHPHJBNWOIJ-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1cscc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001592324316 1173853768 /nfs/dbraw/zinc/85/37/68/1173853768.db2.gz FQIDAAQPBIYEDP-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1cscc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001592324316 1173853773 /nfs/dbraw/zinc/85/37/73/1173853773.db2.gz FQIDAAQPBIYEDP-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCS[C@H](C)CC2)n1 ZINC001592340193 1173862329 /nfs/dbraw/zinc/86/23/29/1173862329.db2.gz DTQUKHNUHGKRCB-MRVPVSSYSA-N -1 1 291.384 1.297 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCS[C@H](C)CC2)n1 ZINC001592340193 1173862336 /nfs/dbraw/zinc/86/23/36/1173862336.db2.gz DTQUKHNUHGKRCB-MRVPVSSYSA-N -1 1 291.384 1.297 20 0 CDADMM Cc1nc(NC[C@@H]2CCOC[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592387396 1173878507 /nfs/dbraw/zinc/87/85/07/1173878507.db2.gz LGVIXWCJJMZDAB-SCZZXKLOSA-N -1 1 289.343 1.050 20 0 CDADMM Cc1nc(NC[C@@H]2CCOC[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592387396 1173878511 /nfs/dbraw/zinc/87/85/11/1173878511.db2.gz LGVIXWCJJMZDAB-SCZZXKLOSA-N -1 1 289.343 1.050 20 0 CDADMM Cc1nc(NCCC2CC(F)(F)C2)cc(-c2nnn[n-]2)n1 ZINC001592390052 1173878824 /nfs/dbraw/zinc/87/88/24/1173878824.db2.gz WPSBDWZOPMKFCH-UHFFFAOYSA-N -1 1 295.297 1.812 20 0 CDADMM Cc1nc(NCCC2CC(F)(F)C2)cc(-c2nn[n-]n2)n1 ZINC001592390052 1173878828 /nfs/dbraw/zinc/87/88/28/1173878828.db2.gz WPSBDWZOPMKFCH-UHFFFAOYSA-N -1 1 295.297 1.812 20 0 CDADMM Cc1cnc(C)nc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592408224 1173880472 /nfs/dbraw/zinc/88/04/72/1173880472.db2.gz LWYZAKMAHURBNE-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1noc(C)c1[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001592456037 1173893594 /nfs/dbraw/zinc/89/35/94/1173893594.db2.gz DKBCSJDILRYUAY-ZCFIWIBFSA-N -1 1 286.299 1.435 20 0 CDADMM Cc1noc(C)c1[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001592456037 1173893598 /nfs/dbraw/zinc/89/35/98/1173893598.db2.gz DKBCSJDILRYUAY-ZCFIWIBFSA-N -1 1 286.299 1.435 20 0 CDADMM Cc1nsc(NC(=O)NCCCF)c1-c1nnn[n-]1 ZINC001592481815 1173902175 /nfs/dbraw/zinc/90/21/75/1173902175.db2.gz WLMYFCFOUOSPPZ-UHFFFAOYSA-N -1 1 285.308 1.113 20 0 CDADMM Cc1nsc(NC(=O)NCCCF)c1-c1nn[n-]n1 ZINC001592481815 1173902180 /nfs/dbraw/zinc/90/21/80/1173902180.db2.gz WLMYFCFOUOSPPZ-UHFFFAOYSA-N -1 1 285.308 1.113 20 0 CDADMM Clc1ccc(NCc2cccc(-c3nnn[n-]3)n2)cn1 ZINC001592532050 1173913509 /nfs/dbraw/zinc/91/35/09/1173913509.db2.gz KOFGKZVYCOCTNY-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM Clc1ccc(NCc2cccc(-c3nn[n-]n3)n2)cn1 ZINC001592532050 1173913512 /nfs/dbraw/zinc/91/35/12/1173913512.db2.gz KOFGKZVYCOCTNY-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM Clc1ncccc1COc1cccnc1-c1nnn[n-]1 ZINC001592538604 1173916066 /nfs/dbraw/zinc/91/60/66/1173916066.db2.gz ZWDMDNNCQBKCGM-UHFFFAOYSA-N -1 1 288.698 1.889 20 0 CDADMM Clc1ncccc1COc1cccnc1-c1nn[n-]n1 ZINC001592538604 1173916071 /nfs/dbraw/zinc/91/60/71/1173916071.db2.gz ZWDMDNNCQBKCGM-UHFFFAOYSA-N -1 1 288.698 1.889 20 0 CDADMM FC1(F)C[C@]12CCCN(c1nccnc1-c1nnn[n-]1)C2 ZINC001592628764 1173935868 /nfs/dbraw/zinc/93/58/68/1173935868.db2.gz ALLGWJTYIASDQM-NSHDSACASA-N -1 1 293.281 1.282 20 0 CDADMM FC1(F)C[C@]12CCCN(c1nccnc1-c1nn[n-]n1)C2 ZINC001592628764 1173935873 /nfs/dbraw/zinc/93/58/73/1173935873.db2.gz ALLGWJTYIASDQM-NSHDSACASA-N -1 1 293.281 1.282 20 0 CDADMM NC(=O)c1ccccc1OCc1ccc(-c2nnn[n-]2)o1 ZINC001592737968 1173984407 /nfs/dbraw/zinc/98/44/07/1173984407.db2.gz UHWFLLZWCJNQCQ-UHFFFAOYSA-N -1 1 285.263 1.138 20 0 CDADMM NC(=O)c1ccccc1OCc1ccc(-c2nn[n-]n2)o1 ZINC001592737968 1173984412 /nfs/dbraw/zinc/98/44/12/1173984412.db2.gz UHWFLLZWCJNQCQ-UHFFFAOYSA-N -1 1 285.263 1.138 20 0 CDADMM O=C(C=Cc1ccco1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592805269 1173990979 /nfs/dbraw/zinc/99/09/79/1173990979.db2.gz ZGWJBOHXDIQJMU-ONEGZZNKSA-N -1 1 296.290 1.184 20 0 CDADMM O=C(C=Cc1ccco1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592805269 1173990988 /nfs/dbraw/zinc/99/09/88/1173990988.db2.gz ZGWJBOHXDIQJMU-ONEGZZNKSA-N -1 1 296.290 1.184 20 0 CDADMM O=C(COc1cnc(-c2nn[n-]n2)nc1)C1CCCCC1 ZINC001592899761 1173999196 /nfs/dbraw/zinc/99/91/96/1173999196.db2.gz JLEYVJPCNOFPRM-UHFFFAOYSA-N -1 1 288.311 1.185 20 0 CDADMM O=C(N[C@@H]1CC12CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001592967382 1174008378 /nfs/dbraw/zinc/00/83/78/1174008378.db2.gz XDAJZWMYMWOKRS-LLVKDONJSA-N -1 1 284.323 1.324 20 0 CDADMM O=C(N[C@@H]1CC12CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001592967382 1174008383 /nfs/dbraw/zinc/00/83/83/1174008383.db2.gz XDAJZWMYMWOKRS-LLVKDONJSA-N -1 1 284.323 1.324 20 0 CDADMM O=C(NC[C@@H]1CC=CCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593031296 1174014773 /nfs/dbraw/zinc/01/47/73/1174014773.db2.gz VOFQSQXMWBNWDH-SNVBAGLBSA-N -1 1 284.323 1.348 20 0 CDADMM O=C(NC[C@@H]1CC=CCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593031296 1174014779 /nfs/dbraw/zinc/01/47/79/1174014779.db2.gz VOFQSQXMWBNWDH-SNVBAGLBSA-N -1 1 284.323 1.348 20 0 CDADMM O=C(NCCF)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593081661 1174022501 /nfs/dbraw/zinc/02/25/01/1174022501.db2.gz GECZXMDXJCOTBL-UHFFFAOYSA-N -1 1 274.259 1.047 20 0 CDADMM O=C(N[C@H]1CCCC[C@H]1F)c1ccnc(-c2nnn[n-]2)c1 ZINC001593181952 1174032075 /nfs/dbraw/zinc/03/20/75/1174032075.db2.gz BOUDLTRJDOPANF-ZJUUUORDSA-N -1 1 290.302 1.272 20 0 CDADMM O=C(N[C@H]1CCCC[C@H]1F)c1ccnc(-c2nn[n-]n2)c1 ZINC001593181952 1174032078 /nfs/dbraw/zinc/03/20/78/1174032078.db2.gz BOUDLTRJDOPANF-ZJUUUORDSA-N -1 1 290.302 1.272 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1ccoc1 ZINC001593245442 1174039228 /nfs/dbraw/zinc/03/92/28/1174039228.db2.gz MKLGIPMWXUOLMP-UHFFFAOYSA-N -1 1 256.225 1.107 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1ccoc1 ZINC001593245442 1174039234 /nfs/dbraw/zinc/03/92/34/1174039234.db2.gz MKLGIPMWXUOLMP-UHFFFAOYSA-N -1 1 256.225 1.107 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@H]1CCC=CCCC1 ZINC001593259942 1174043338 /nfs/dbraw/zinc/04/33/38/1174043338.db2.gz DXKFYQXEHCKVST-VIFPVBQESA-N -1 1 287.327 1.665 20 0 CDADMM O=C(OC[C@H]1CCC1(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC001593283937 1174051965 /nfs/dbraw/zinc/05/19/65/1174051965.db2.gz FVMIVOGFXQUKBI-MRVPVSSYSA-N -1 1 295.249 1.464 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001593338531 1174068345 /nfs/dbraw/zinc/06/83/45/1174068345.db2.gz BHFIKXLFKPCUNE-AOOOYVTPSA-N -1 1 285.307 1.498 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001593338531 1174068351 /nfs/dbraw/zinc/06/83/51/1174068351.db2.gz BHFIKXLFKPCUNE-AOOOYVTPSA-N -1 1 285.307 1.498 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1COC1CCCCC1 ZINC001593496536 1174087016 /nfs/dbraw/zinc/08/70/16/1174087016.db2.gz OSZHDLLRBIZFRM-UHFFFAOYSA-N -1 1 275.312 1.335 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001593494748 1174087141 /nfs/dbraw/zinc/08/71/41/1174087141.db2.gz VPYQJXCFSQACEE-UMNHJUIQSA-N -1 1 269.308 1.241 20 0 CDADMM OCC[C@@H]1CCCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001593530539 1174104282 /nfs/dbraw/zinc/10/42/82/1174104282.db2.gz JYOXTHCLCPQXNP-LLVKDONJSA-N -1 1 288.355 1.251 20 0 CDADMM OCC[C@@H]1CCCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001593530539 1174104285 /nfs/dbraw/zinc/10/42/85/1174104285.db2.gz JYOXTHCLCPQXNP-LLVKDONJSA-N -1 1 288.355 1.251 20 0 CDADMM Oc1ccc2c(c1)CN(c1ccnc(-c3nnn[n-]3)c1)CC2 ZINC001593540066 1174111921 /nfs/dbraw/zinc/11/19/21/1174111921.db2.gz OZEYRBFYLMOJES-UHFFFAOYSA-N -1 1 294.318 1.530 20 0 CDADMM Oc1ccc2c(c1)CN(c1ccnc(-c3nn[n-]n3)c1)CC2 ZINC001593540066 1174111924 /nfs/dbraw/zinc/11/19/24/1174111924.db2.gz OZEYRBFYLMOJES-UHFFFAOYSA-N -1 1 294.318 1.530 20 0 CDADMM c1c(-c2nnn[n-]2)nc(C2CC2)nc1N1OC2CCC1CC2 ZINC001593543792 1174112414 /nfs/dbraw/zinc/11/24/14/1174112414.db2.gz ZQWBRUUJERCATL-UHFFFAOYSA-N -1 1 299.338 1.597 20 0 CDADMM c1c(-c2nn[n-]n2)nc(C2CC2)nc1N1OC2CCC1CC2 ZINC001593543792 1174112421 /nfs/dbraw/zinc/11/24/21/1174112421.db2.gz ZQWBRUUJERCATL-UHFFFAOYSA-N -1 1 299.338 1.597 20 0 CDADMM c1cc(CCCNc2ccnc(-c3nn[n-]n3)n2)cs1 ZINC001593560554 1174136734 /nfs/dbraw/zinc/13/67/34/1174136734.db2.gz FZEDSQXOOQNLBG-UHFFFAOYSA-N -1 1 287.352 1.185 20 0 CDADMM c1ccc(C[C@H]2C[C@@H]2Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001593571584 1174142333 /nfs/dbraw/zinc/14/23/33/1174142333.db2.gz AUSJSELEIHABNR-RYUDHWBXSA-N -1 1 293.334 1.700 20 0 CDADMM c1ccc(C[C@H]2C[C@@H]2Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001593571584 1174142337 /nfs/dbraw/zinc/14/23/37/1174142337.db2.gz AUSJSELEIHABNR-RYUDHWBXSA-N -1 1 293.334 1.700 20 0 CDADMM c1ccc2c(c1)C[C@@H]1[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]21 ZINC001593579229 1174145063 /nfs/dbraw/zinc/14/50/63/1174145063.db2.gz DAWKYMPHPRMNGZ-ZLKJLUDKSA-N -1 1 291.318 1.407 20 0 CDADMM c1ccc2c(c1)C[C@@H]1[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]21 ZINC001593579229 1174145065 /nfs/dbraw/zinc/14/50/65/1174145065.db2.gz DAWKYMPHPRMNGZ-ZLKJLUDKSA-N -1 1 291.318 1.407 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OCCO[C@@H]2CCCCO2)c1 ZINC001593584910 1174152016 /nfs/dbraw/zinc/15/20/16/1174152016.db2.gz QTQLRMVAJCWNKL-LLVKDONJSA-N -1 1 291.311 1.184 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OCCO[C@@H]2CCCCO2)c1 ZINC001593584910 1174152020 /nfs/dbraw/zinc/15/20/20/1174152020.db2.gz QTQLRMVAJCWNKL-LLVKDONJSA-N -1 1 291.311 1.184 20 0 CDADMM c1cncc([C@H]2CCN(c3cccc(-c4nnn[n-]4)n3)C2)c1 ZINC001593587264 1174154193 /nfs/dbraw/zinc/15/41/93/1174154193.db2.gz FJUFWWQYJCUIMZ-LBPRGKRZSA-N -1 1 293.334 1.651 20 0 CDADMM c1cncc([C@H]2CCN(c3cccc(-c4nn[n-]n4)n3)C2)c1 ZINC001593587264 1174154196 /nfs/dbraw/zinc/15/41/96/1174154196.db2.gz FJUFWWQYJCUIMZ-LBPRGKRZSA-N -1 1 293.334 1.651 20 0 CDADMM c1coc(C2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001593589760 1174156711 /nfs/dbraw/zinc/15/67/11/1174156711.db2.gz PGIYUMSPVZGNEJ-UHFFFAOYSA-N -1 1 297.322 1.634 20 0 CDADMM c1coc(C2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001593589760 1174156716 /nfs/dbraw/zinc/15/67/16/1174156716.db2.gz PGIYUMSPVZGNEJ-UHFFFAOYSA-N -1 1 297.322 1.634 20 0 CDADMM c1nc(N2CCC3(C2)CCCCC3)cnc1-c1nnn[n-]1 ZINC001593591337 1174161151 /nfs/dbraw/zinc/16/11/51/1174161151.db2.gz OBBHMQDEGXOJJF-UHFFFAOYSA-N -1 1 285.355 1.817 20 0 CDADMM c1nc(N2CCC3(C2)CCCCC3)cnc1-c1nn[n-]n1 ZINC001593591337 1174161155 /nfs/dbraw/zinc/16/11/55/1174161155.db2.gz OBBHMQDEGXOJJF-UHFFFAOYSA-N -1 1 285.355 1.817 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NCCOC2CCCCC2)n1 ZINC001593595518 1174165213 /nfs/dbraw/zinc/16/52/13/1174165213.db2.gz SHKDIPYXVOCMKU-UHFFFAOYSA-N -1 1 289.343 1.418 20 0 CDADMM Cc1cc(CCC(=O)NCc2ccc(C(=O)[O-])cn2)n[nH]1 ZINC001600188005 1174391722 /nfs/dbraw/zinc/39/17/22/1174391722.db2.gz IOMMUCFVWIXNCB-UHFFFAOYSA-N -1 1 288.307 1.060 20 0 CDADMM Cc1cc(N2CCc3ccc(C(=O)[O-])nc3C2)nc(N)n1 ZINC001600242273 1174420934 /nfs/dbraw/zinc/42/09/34/1174420934.db2.gz FHHCLSMPKDPKGA-UHFFFAOYSA-N -1 1 285.307 1.023 20 0 CDADMM Cc1cc(=O)[n-]c(C[NH2+][C@H](C(=O)[O-])C2CCCCC2)n1 ZINC001600286537 1174439140 /nfs/dbraw/zinc/43/91/40/1174439140.db2.gz MXBMBCPPJLWXRX-ZDUSSCGKSA-N -1 1 279.340 1.614 20 0 CDADMM Cc1ccc(NCCNCc2ncc(C(=O)[O-])s2)nc1 ZINC001600459063 1174482964 /nfs/dbraw/zinc/48/29/64/1174482964.db2.gz AHDYZYIUBQSWSI-UHFFFAOYSA-N -1 1 292.364 1.746 20 0 CDADMM Cc1ccc2[nH]nnc2c1NC(=O)c1cccc(C(=O)[O-])n1 ZINC001600490379 1174488756 /nfs/dbraw/zinc/48/87/56/1174488756.db2.gz SIUWIJIUGUWQIP-UHFFFAOYSA-N -1 1 297.274 1.612 20 0 CDADMM Cc1ccccc1[C@@H](N)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001600571368 1174510341 /nfs/dbraw/zinc/51/03/41/1174510341.db2.gz JTSLXHKYDZHLSO-ORHYLEIMSA-N -1 1 290.363 1.754 20 0 CDADMM Cc1ccccc1NC(=O)CN1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC001600585350 1174514090 /nfs/dbraw/zinc/51/40/90/1174514090.db2.gz QHAVQBZZMFRPMH-WBMJQRKESA-N -1 1 288.347 1.873 20 0 CDADMM Cc1cnc([C@@H](C)N2CCSC[C@H](C(=O)[O-])C2)o1 ZINC001600618009 1174531408 /nfs/dbraw/zinc/53/14/08/1174531408.db2.gz CQUDZRMXMBCUCN-NXEZZACHSA-N -1 1 270.354 1.794 20 0 CDADMM Cc1nc2ccc(NC(=O)[C@H]3C[C@@H](C(=O)[O-])C3)cc2[nH]1 ZINC001600725868 1174580750 /nfs/dbraw/zinc/58/07/50/1174580750.db2.gz WQXZMCDLYKCTHM-DTORHVGOSA-N -1 1 273.292 1.921 20 0 CDADMM Cc1nnsc1[C@H](C)N1CCSC[C@H](C(=O)[O-])C1 ZINC001600803156 1174618943 /nfs/dbraw/zinc/61/89/43/1174618943.db2.gz YGWMBHFIBYERDU-DTWKUNHWSA-N -1 1 287.410 1.657 20 0 CDADMM Cn1c(CN[C@@H]2c3ccccc3C[C@H]2O)ccc1C(=O)[O-] ZINC001600917048 1174664610 /nfs/dbraw/zinc/66/46/10/1174664610.db2.gz ZNCPDDSNHSFRDT-HUUCEWRRSA-N -1 1 286.331 1.471 20 0 CDADMM Cn1cc(C[C@H]2CCN(Cc3cc(C(=O)[O-])no3)C2)cn1 ZINC001600949175 1174672867 /nfs/dbraw/zinc/67/28/67/1174672867.db2.gz JBULOGMADWQNGH-SNVBAGLBSA-N -1 1 290.323 1.171 20 0 CDADMM C[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)c1cccnc1 ZINC000103589319 1174682533 /nfs/dbraw/zinc/68/25/33/1174682533.db2.gz JMYKLERIENWYCU-SECBINFHSA-N -1 1 267.296 1.830 20 0 CDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)c1cccnc1 ZINC000103589319 1174682536 /nfs/dbraw/zinc/68/25/36/1174682536.db2.gz JMYKLERIENWYCU-SECBINFHSA-N -1 1 267.296 1.830 20 0 CDADMM O=C([O-])[C@@H]1[C@H](C[N@H+](CCO)Cc2ccccc2)C1(F)F ZINC001601748788 1174982778 /nfs/dbraw/zinc/98/27/78/1174982778.db2.gz ISNUGJDLVNXRTN-RYUDHWBXSA-N -1 1 285.290 1.447 20 0 CDADMM O=C([O-])[C@@H]1CN(Cc2ccc(CO)o2)Cc2ccccc21 ZINC001601848029 1175035231 /nfs/dbraw/zinc/03/52/31/1175035231.db2.gz RGHYTLHUBDPZLL-OAHLLOKOSA-N -1 1 287.315 1.956 20 0 CDADMM O=C([O-])/C=C\c1ccc(OCCN2CC[C@@H]2CO)cc1 ZINC001601882773 1175050823 /nfs/dbraw/zinc/05/08/23/1175050823.db2.gz JGIXGKSRZLBNOJ-ACVFHECNSA-N -1 1 277.320 1.230 20 0 CDADMM O=C([O-])C[C@@H]1CN(c2cc[nH+]c3c([O-])cccc23)CCO1 ZINC001601962722 1175087674 /nfs/dbraw/zinc/08/76/74/1175087674.db2.gz TYVRWLNNEDBOCI-SNVBAGLBSA-N -1 1 288.303 1.620 20 0 CDADMM O=C([O-])CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC001602062141 1175123651 /nfs/dbraw/zinc/12/36/51/1175123651.db2.gz FALYLCLKYPVRNT-RWMBFGLXSA-N -1 1 280.368 1.042 20 0 CDADMM O=C([O-])Cn1cc(CN[C@H]2C[C@H]2Cc2ccccc2)nn1 ZINC001602162200 1175147123 /nfs/dbraw/zinc/14/71/23/1175147123.db2.gz QOVRPYQRHVOMCP-OCCSQVGLSA-N -1 1 286.335 1.084 20 0 CDADMM O=C([O-])c1ccc(CN2CCc3cn[nH]c3C2)cc1F ZINC001602339536 1175213099 /nfs/dbraw/zinc/21/30/99/1175213099.db2.gz QMDURCMLEDFWNS-UHFFFAOYSA-N -1 1 275.283 1.805 20 0 CDADMM O=C([O-])c1ccc(NS(=O)(=O)Cc2ccccc2)nn1 ZINC001602384599 1175229920 /nfs/dbraw/zinc/22/99/20/1175229920.db2.gz SAWSIAHLJFYPRT-UHFFFAOYSA-N -1 1 293.304 1.117 20 0 CDADMM O=C([O-])c1cnc(CN2CC[C@@H]([C@@H]3CCOC3)C2)s1 ZINC001602520078 1175267806 /nfs/dbraw/zinc/26/78/06/1175267806.db2.gz XRTKPROPXSNCAF-NXEZZACHSA-N -1 1 282.365 1.700 20 0 CDADMM C1=CC[C@@H]2CN(c3ccnc(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001602749896 1175386256 /nfs/dbraw/zinc/38/62/56/1175386256.db2.gz PGZFAOMSKZWBNR-PHIMTYICSA-N -1 1 268.324 1.664 20 0 CDADMM C1=CC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001602749896 1175386265 /nfs/dbraw/zinc/38/62/65/1175386265.db2.gz PGZFAOMSKZWBNR-PHIMTYICSA-N -1 1 268.324 1.664 20 0 CDADMM CC(=O)[C@H](C)CCOC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001602912527 1175449853 /nfs/dbraw/zinc/44/98/53/1175449853.db2.gz TYULWUWQDYSOPZ-SSDOTTSWSA-N -1 1 278.268 1.232 20 0 CDADMM CC(=O)[C@H](C)CCOC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001602912527 1175449859 /nfs/dbraw/zinc/44/98/59/1175449859.db2.gz TYULWUWQDYSOPZ-SSDOTTSWSA-N -1 1 278.268 1.232 20 0 CDADMM C/C(=C/CN1CCCC[C@@H]1CCS(C)(=O)=O)C(=O)[O-] ZINC001602962719 1175461090 /nfs/dbraw/zinc/46/10/90/1175461090.db2.gz OJPRNBBUWQVNSQ-HUMZTAOYSA-N -1 1 289.397 1.307 20 0 CDADMM CC(C)(C)C1=CCN(c2ncncc2-c2nn[n-]n2)CC1 ZINC001603062418 1175484389 /nfs/dbraw/zinc/48/43/89/1175484389.db2.gz JSWLIIQULLWKEM-UHFFFAOYSA-N -1 1 285.355 1.839 20 0 CDADMM CC(C)[C@H]1CN(c2cccnc2-c2nnn[n-]2)CCO1 ZINC001603249719 1175525592 /nfs/dbraw/zinc/52/55/92/1175525592.db2.gz TZOODBTYMDXUOP-LLVKDONJSA-N -1 1 274.328 1.123 20 0 CDADMM CC(C)[C@H]1CN(c2cccnc2-c2nn[n-]n2)CCO1 ZINC001603249719 1175525597 /nfs/dbraw/zinc/52/55/97/1175525597.db2.gz TZOODBTYMDXUOP-LLVKDONJSA-N -1 1 274.328 1.123 20 0 CDADMM C[C@H](CCc1ccco1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001603503390 1175558734 /nfs/dbraw/zinc/55/87/34/1175558734.db2.gz QTWNVQQKRMCALO-SECBINFHSA-N -1 1 285.311 1.683 20 0 CDADMM C[C@H](CCc1ccco1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001603503390 1175558740 /nfs/dbraw/zinc/55/87/40/1175558740.db2.gz QTWNVQQKRMCALO-SECBINFHSA-N -1 1 285.311 1.683 20 0 CDADMM C[C@H](O)C(C)(C)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001603693824 1175601435 /nfs/dbraw/zinc/60/14/35/1175601435.db2.gz JTKJKCYANOGPTH-ZETCQYMHSA-N -1 1 295.368 1.065 20 0 CDADMM C[C@H](O)C(C)(C)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001603693824 1175601437 /nfs/dbraw/zinc/60/14/37/1175601437.db2.gz JTKJKCYANOGPTH-ZETCQYMHSA-N -1 1 295.368 1.065 20 0 CDADMM C[C@@]12CCN(c3ccnc(-c4nnn[n-]4)c3)C[C@@H]1C2(F)F ZINC001603825917 1175644817 /nfs/dbraw/zinc/64/48/17/1175644817.db2.gz OHPWCGUXLMDQAE-CMPLNLGQSA-N -1 1 292.293 1.743 20 0 CDADMM C[C@@]12CCN(c3ccnc(-c4nn[n-]n4)c3)C[C@@H]1C2(F)F ZINC001603825917 1175644822 /nfs/dbraw/zinc/64/48/22/1175644822.db2.gz OHPWCGUXLMDQAE-CMPLNLGQSA-N -1 1 292.293 1.743 20 0 CDADMM C[C@H]1C(=O)CCCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001603831526 1175646758 /nfs/dbraw/zinc/64/67/58/1175646758.db2.gz ZSEAODNSQMETAO-YFKPBYRVSA-N -1 1 298.759 1.534 20 0 CDADMM C[C@H]1C(=O)CCCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001603831526 1175646761 /nfs/dbraw/zinc/64/67/61/1175646761.db2.gz ZSEAODNSQMETAO-YFKPBYRVSA-N -1 1 298.759 1.534 20 0 CDADMM C[C@@H]1C[C@H](C)[C@@H](C)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001603844405 1175651844 /nfs/dbraw/zinc/65/18/44/1175651844.db2.gz BWYXTDFVGYYMMC-KXUCPTDWSA-N -1 1 273.344 1.528 20 0 CDADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001603873535 1175664670 /nfs/dbraw/zinc/66/46/70/1175664670.db2.gz YTLGVWYMHAFYQR-LLHIFLOGSA-N -1 1 270.340 1.388 20 0 CDADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001603873535 1175664673 /nfs/dbraw/zinc/66/46/73/1175664673.db2.gz YTLGVWYMHAFYQR-LLHIFLOGSA-N -1 1 270.340 1.388 20 0 CDADMM C[C@H]1COCC[C@H]1OC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001603947466 1175695028 /nfs/dbraw/zinc/69/50/28/1175695028.db2.gz HSGGAJNKIWHVLD-IONNQARKSA-N -1 1 294.336 1.510 20 0 CDADMM C[C@H]1COCC[C@H]1OC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603947466 1175695033 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O=C([O-])C[C@H]1CCCN(CC(=O)NC(C2CC2)C2CC2)C1 ZINC000532882002 282060818 /nfs/dbraw/zinc/06/08/18/282060818.db2.gz UDJXWVIKYCAZSM-LLVKDONJSA-N -1 1 294.395 1.478 20 0 CDADMM CC(C)[N@H+](C)CC[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000155624606 289245451 /nfs/dbraw/zinc/24/54/51/289245451.db2.gz BXZKZVHJGXYVDU-UHFFFAOYSA-N -1 1 292.351 1.583 20 0 CDADMM CC(C)(C)c1ncc(C=CC(=O)Nc2nnn[n-]2)s1 ZINC000255416538 289371057 /nfs/dbraw/zinc/37/10/57/289371057.db2.gz CSOUGSLACIVCFI-PLNGDYQASA-N -1 1 278.341 1.606 20 0 CDADMM CC(C)(C)c1ncc(C=CC(=O)Nc2nn[n-]n2)s1 ZINC000255416538 289371059 /nfs/dbraw/zinc/37/10/59/289371059.db2.gz CSOUGSLACIVCFI-PLNGDYQASA-N -1 1 278.341 1.606 20 0 CDADMM CCCc1n[n-]c(=NCc2cn(-c3ccncc3)nc2C)o1 ZINC000542216729 289536781 /nfs/dbraw/zinc/53/67/81/289536781.db2.gz ZYILUTUXWUMWAV-UHFFFAOYSA-N -1 1 298.350 1.945 20 0 CDADMM Cc1cnn(C)c1CN=c1[n-]ncn1Cc1ccccc1 ZINC000552058798 290046429 /nfs/dbraw/zinc/04/64/29/290046429.db2.gz XWIKJYCGFKCQMK-UHFFFAOYSA-N -1 1 282.351 1.402 20 0 CDADMM O=S(=O)(CCF)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000556063851 290251273 /nfs/dbraw/zinc/25/12/73/290251273.db2.gz NGRLBVVSQVCTMF-UHFFFAOYSA-N -1 1 289.719 1.868 20 0 CDADMM C[C@H]1CCCCN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C1 ZINC000186443604 290375614 /nfs/dbraw/zinc/37/56/14/290375614.db2.gz CURDZLFGACQOLJ-JTQLQIEISA-N -1 1 288.351 1.936 20 0 CDADMM C[C@H]1CCN(C(=O)c2ncccc2[O-])CC1(F)F ZINC000336101899 290571389 /nfs/dbraw/zinc/57/13/89/290571389.db2.gz NTZUKDYFXJAKAW-QMMMGPOBSA-N -1 1 256.252 1.905 20 0 CDADMM COc1c(F)ccc(F)c1C(=O)[N-]c1ncn(C)n1 ZINC000562190805 293116821 /nfs/dbraw/zinc/11/68/21/293116821.db2.gz SSZFJSBYNZZNLB-UHFFFAOYSA-N -1 1 268.223 1.354 20 0 CDADMM CCc1ccccc1S(=O)(=O)[N-]c1cnc[nH]1 ZINC000564562877 293371962 /nfs/dbraw/zinc/37/19/62/293371962.db2.gz SNTIFGZNRQGLNU-UHFFFAOYSA-N -1 1 251.311 1.773 20 0 CDADMM CCC[C@@H](CCO)Nc1ccc(C)nc1-c1nnn[n-]1 ZINC001590557247 1173461842 /nfs/dbraw/zinc/46/18/42/1173461842.db2.gz LMNHWOUBTGLWJP-JTQLQIEISA-N -1 1 276.344 1.533 20 0 CDADMM CCC[C@@H](CCO)Nc1ccc(C)nc1-c1nn[n-]n1 ZINC001590557247 1173461849 /nfs/dbraw/zinc/46/18/49/1173461849.db2.gz LMNHWOUBTGLWJP-JTQLQIEISA-N -1 1 276.344 1.533 20 0 CDADMM CCCC(O)(CCC)CNc1ncncc1-c1nn[n-]n1 ZINC001590558925 1173464120 /nfs/dbraw/zinc/46/41/20/1173464120.db2.gz JUHQOYOIYOANDK-UHFFFAOYSA-N -1 1 291.359 1.400 20 0 CDADMM CCc1cccc(OCCN2C[C@@H](OC)C[C@H]2C(=O)[O-])c1 ZINC000568992486 294137442 /nfs/dbraw/zinc/13/74/42/294137442.db2.gz MBIGXBKUIDQFQW-GJZGRUSLSA-N -1 1 293.363 1.802 20 0 CDADMM CCc1ccc([C@@H]2CNCCN2C(=O)[C@H](C)C(=O)[O-])cc1 ZINC000570293462 294212079 /nfs/dbraw/zinc/21/20/79/294212079.db2.gz LJRYKYCUJDEHLK-FZMZJTMJSA-N -1 1 290.363 1.443 20 0 CDADMM CO[C@H](C)c1nc(=N[C@H]2CCO[C@]3(CCOC3)C2)s[n-]1 ZINC000328816745 294344668 /nfs/dbraw/zinc/34/46/68/294344668.db2.gz PVDBHSFVXVENLW-GBIKHYSHSA-N -1 1 299.396 1.417 20 0 CDADMM CCCCOC(=O)CSc1cccnc1-c1nnn[n-]1 ZINC001590605732 1173475179 /nfs/dbraw/zinc/47/51/79/1173475179.db2.gz CHUVFABXUBLSDM-UHFFFAOYSA-N -1 1 293.352 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VYIUOEBAZMMGIJ-DTWKUNHWSA-N -1 1 291.384 1.377 20 0 CDADMM CS[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001591693832 1173684626 /nfs/dbraw/zinc/68/46/26/1173684626.db2.gz UGNJXXQJGXITSZ-SSDOTTSWSA-N -1 1 282.398 1.573 20 0 CDADMM C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)cc1)[NH+]1CC(C)C1 ZINC000563375027 316276921 /nfs/dbraw/zinc/27/69/21/316276921.db2.gz DTSJAYNJQUZIGA-SNVBAGLBSA-N -1 1 286.339 1.145 20 0 CDADMM CO[C@H]1CCOc2c([N-]S(C)(=O)=O)cccc21 ZINC000567013415 316721347 /nfs/dbraw/zinc/72/13/47/316721347.db2.gz XLVWNERTTYAJFD-JTQLQIEISA-N -1 1 257.311 1.528 20 0 CDADMM Cc1nc(C)c(CCN=c2[nH]c(C(=O)[O-])co2)s1 ZINC000577495699 317341040 /nfs/dbraw/zinc/34/10/40/317341040.db2.gz AXGPDGMIHQSTLP-UHFFFAOYSA-N -1 1 267.310 1.523 20 0 CDADMM Cc1nc(CCNc2ccnc(-c3nnn[n-]3)c2)cs1 ZINC001592359277 1173867376 /nfs/dbraw/zinc/86/73/76/1173867376.db2.gz BEXXLQPKILYYPB-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM Cc1nc(CCNc2ccnc(-c3nn[n-]n3)c2)cs1 ZINC001592359277 1173867383 /nfs/dbraw/zinc/86/73/83/1173867383.db2.gz BEXXLQPKILYYPB-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM Cc1nc(NC[C@]2(C)CCCS2)cc(-c2nn[n-]n2)n1 ZINC001592386701 1173877355 /nfs/dbraw/zinc/87/73/55/1173877355.db2.gz ZLVNIXLNPPDVOC-LBPRGKRZSA-N -1 1 291.384 1.663 20 0 CDADMM Cc1cnc(SCCc2cnn(C)c2)[n-]c1=O ZINC000578550772 323966218 /nfs/dbraw/zinc/96/62/18/323966218.db2.gz OETUAHFRMKMVIJ-UHFFFAOYSA-N -1 1 250.327 1.559 20 0 CDADMM CCc1nc(SCc2nnc(C)n2C)[n-]c(=O)c1C ZINC000579615165 324239657 /nfs/dbraw/zinc/23/96/57/324239657.db2.gz ZQFIACDEGJXEHV-UHFFFAOYSA-N -1 1 279.369 1.782 20 0 CDADMM CSCC[C@@H](CO)NC(=O)c1c(F)ccc([O-])c1F ZINC000581039862 324631846 /nfs/dbraw/zinc/63/18/46/324631846.db2.gz XIYDINUWDJMVSC-ZETCQYMHSA-N -1 1 291.319 1.514 20 0 CDADMM Cc1nsc(NC(=O)C2CC3(CC3)C2)c1-c1nnn[n-]1 ZINC001592480063 1173899101 /nfs/dbraw/zinc/89/91/01/1173899101.db2.gz SQRZWJWFXDHVMC-UHFFFAOYSA-N -1 1 290.352 1.760 20 0 CDADMM Cc1nsc(NC(=O)C2CC3(CC3)C2)c1-c1nn[n-]n1 ZINC001592480063 1173899104 /nfs/dbraw/zinc/89/91/04/1173899104.db2.gz SQRZWJWFXDHVMC-UHFFFAOYSA-N -1 1 290.352 1.760 20 0 CDADMM Cc1nsc(NC(=O)[C@H]2CCSC2)c1-c1nnn[n-]1 ZINC001592478288 1173899860 /nfs/dbraw/zinc/89/98/60/1173899860.db2.gz AIONFARADQWTDG-LURJTMIESA-N -1 1 296.381 1.323 20 0 CDADMM Cc1nsc(NC(=O)[C@H]2CCSC2)c1-c1nn[n-]n1 ZINC001592478288 1173899861 /nfs/dbraw/zinc/89/98/61/1173899861.db2.gz AIONFARADQWTDG-LURJTMIESA-N -1 1 296.381 1.323 20 0 CDADMM Cc1nsc(N(C)Cc2ccco2)c1-c1nn[n-]n1 ZINC001592469486 1173900520 /nfs/dbraw/zinc/90/05/20/1173900520.db2.gz UXNXCRCMAZRRLK-UHFFFAOYSA-N -1 1 276.325 1.861 20 0 CDADMM O=C(NCC1CCCCCC1)c1cc(=O)n2[n-]cnc2n1 ZINC000584451836 329487185 /nfs/dbraw/zinc/48/71/85/329487185.db2.gz OATHZIZTCVTDTB-UHFFFAOYSA-N -1 1 289.339 1.118 20 0 CDADMM O=C(NCc1c[nH]c(=O)[nH]1)c1ccc(Cl)cc1[O-] ZINC000379791022 1159732436 /nfs/dbraw/zinc/73/24/36/1159732436.db2.gz JZCHZNCDUQAKPV-UHFFFAOYSA-N -1 1 267.672 1.404 20 0 CDADMM O=C(Nc1nc(-c2ccco2)n[nH]1)C1CCOCC1 ZINC000078868657 482207566 /nfs/dbraw/zinc/20/75/66/482207566.db2.gz SNNAQKOKYOWUPZ-UHFFFAOYSA-N -1 1 262.269 1.430 20 0 CDADMM Cc1n[nH]c([N-]S(=O)(=O)c2cn(C)c(C(C)C)n2)c1C ZINC000666373683 482411037 /nfs/dbraw/zinc/41/10/37/482411037.db2.gz CYCJEFLMNXCDQY-UHFFFAOYSA-N -1 1 297.384 1.684 20 0 CDADMM C[C@H]1COCC[C@@H]1CNC(=O)c1ccc([O-])c(F)c1 ZINC000672252184 482528781 /nfs/dbraw/zinc/52/87/81/482528781.db2.gz BNVUTNKQSVTEOV-GXSJLCMTSA-N -1 1 267.300 1.934 20 0 CDADMM C[C@H](Cn1ccc2ccccc21)C(=O)NCc1nn[n-]n1 ZINC000671719605 482528852 /nfs/dbraw/zinc/52/88/52/482528852.db2.gz KOYRMUVILGEYJY-SNVBAGLBSA-N -1 1 284.323 1.107 20 0 CDADMM CC[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000054300495 482538914 /nfs/dbraw/zinc/53/89/14/482538914.db2.gz OJVQNFXIXLRUOA-KGLIPLIRSA-N -1 1 296.411 1.964 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2ccc3[nH]c(=O)n(C)c3c2)c1[O-] ZINC000669635935 482573302 /nfs/dbraw/zinc/57/33/02/482573302.db2.gz UULCEDQXZGPTTA-UHFFFAOYSA-N -1 1 287.279 1.268 20 0 CDADMM 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/nfs/dbraw/zinc/41/05/73/599410573.db2.gz BUSFVGSYBMBBGE-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1ccc(CNc2cccc(-c3nn[n-]n3)n2)cn1 ZINC000095324458 599410578 /nfs/dbraw/zinc/41/05/78/599410578.db2.gz BUSFVGSYBMBBGE-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM CCO[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000095281667 599415982 /nfs/dbraw/zinc/41/59/82/599415982.db2.gz GXLXZKOZAUWLDV-JTQLQIEISA-N -1 1 274.328 1.267 20 0 CDADMM CCO[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000095281667 599415983 /nfs/dbraw/zinc/41/59/83/599415983.db2.gz GXLXZKOZAUWLDV-JTQLQIEISA-N -1 1 274.328 1.267 20 0 CDADMM C[C@@H]1C[C@H]1Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820678566 599520679 /nfs/dbraw/zinc/52/06/79/599520679.db2.gz WBTGMWWKKNKEQE-LDYMZIIASA-N -1 1 266.308 1.657 20 0 CDADMM C[C@@H]1C[C@H]1Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820678566 599520680 /nfs/dbraw/zinc/52/06/80/599520680.db2.gz WBTGMWWKKNKEQE-LDYMZIIASA-N -1 1 266.308 1.657 20 0 CDADMM C[C@@H]1CC[C@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 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CC[C@@H]1CCCCN1C(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000829117856 601031473 /nfs/dbraw/zinc/03/14/73/601031473.db2.gz BLLGYSUQEZOXFT-IUODEOHRSA-N -1 1 282.384 1.620 20 0 CDADMM O=C([O-])C[C@H](NC(=O)CCc1nc[nH]n1)c1ccccc1 ZINC000833198151 601133715 /nfs/dbraw/zinc/13/37/15/601133715.db2.gz ZAUPBUQASQVYSZ-NSHDSACASA-N -1 1 288.307 1.070 20 0 CDADMM C[C@H](C(=O)[O-])N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000237398514 601374015 /nfs/dbraw/zinc/37/40/15/601374015.db2.gz WWYYRYRDWPDMDR-HTQZYQBOSA-N -1 1 254.252 1.028 20 0 CDADMM CC[C@H](C(=O)OC/C=C(\C)C(=O)[O-])N(CC)CC ZINC000828603287 601427614 /nfs/dbraw/zinc/42/76/14/601427614.db2.gz HFGGECKCXZUTQL-RJCSOLBVSA-N -1 1 257.330 1.681 20 0 CDADMM CCOC(=O)CCN(C)Cc1cc(C(=O)[O-])oc1CC ZINC000829843373 601446962 /nfs/dbraw/zinc/44/69/62/601446962.db2.gz VFSVGQYIQKTLDY-UHFFFAOYSA-N -1 1 283.324 1.925 20 0 CDADMM NC(=O)C1(NCc2cc(C(=O)[O-])co2)CCCCC1 ZINC000833082512 601486375 /nfs/dbraw/zinc/48/63/75/601486375.db2.gz NUBAILQASNWSAU-UHFFFAOYSA-N -1 1 266.297 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COC(=O)[C@@H]1CCN(C/C=C\Cl)[C@@H](C(=O)[O-])C1 ZINC000833710564 605683671 /nfs/dbraw/zinc/68/36/71/605683671.db2.gz WTBNNJROKFBLLN-HWTYGCMBSA-N -1 1 261.705 1.077 20 0 CDADMM CC[C@H](C)[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833639689 605720638 /nfs/dbraw/zinc/72/06/38/605720638.db2.gz XHPIWONVPRLPNL-QXEWZRGKSA-N -1 1 267.329 1.204 20 0 CDADMM CC(=O)N1CCN(Cc2ccccc2C(=O)[O-])C(C)(C)C1 ZINC000833390187 605752741 /nfs/dbraw/zinc/75/27/41/605752741.db2.gz DBSWLEAPWIJWBV-UHFFFAOYSA-N -1 1 290.363 1.828 20 0 CDADMM CCC[C@@](C)(NC(=O)[C@@H]1CCc2[nH]c(C)nc2C1)C(=O)[O-] ZINC000833648033 605779664 /nfs/dbraw/zinc/77/96/64/605779664.db2.gz NXDRPFOOKPEJFM-MEBBXXQBSA-N -1 1 293.367 1.583 20 0 CDADMM OC1(CNc2cc(-c3nnn[n-]3)nc3ccccc32)CCC1 ZINC000823698824 606036810 /nfs/dbraw/zinc/03/68/10/606036810.db2.gz SETBUBYOJJMJKD-UHFFFAOYSA-N -1 1 296.334 1.742 20 0 CDADMM OC1(CNc2cc(-c3nn[n-]n3)nc3ccccc32)CCC1 ZINC000823698824 606036816 /nfs/dbraw/zinc/03/68/16/606036816.db2.gz SETBUBYOJJMJKD-UHFFFAOYSA-N -1 1 296.334 1.742 20 0 CDADMM Cc1cnc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)o1 ZINC000822394777 606097670 /nfs/dbraw/zinc/09/76/70/606097670.db2.gz GZSRLRIRHVTFGZ-UHFFFAOYSA-N -1 1 291.702 1.824 20 0 CDADMM Cc1cnc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)o1 ZINC000822394777 606097674 /nfs/dbraw/zinc/09/76/74/606097674.db2.gz GZSRLRIRHVTFGZ-UHFFFAOYSA-N -1 1 291.702 1.824 20 0 CDADMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H]1CCOC1 ZINC000820454974 606467720 /nfs/dbraw/zinc/46/77/20/606467720.db2.gz ACDFFHYNFNFWTR-YUMQZZPRSA-N -1 1 294.746 1.752 20 0 CDADMM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H]1CCOC1 ZINC000820454974 606467722 /nfs/dbraw/zinc/46/77/22/606467722.db2.gz ACDFFHYNFNFWTR-YUMQZZPRSA-N -1 1 294.746 1.752 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CCCO1 ZINC000820391446 606506691 /nfs/dbraw/zinc/50/66/91/606506691.db2.gz QAIGKSOABMBRTQ-HTQZYQBOSA-N -1 1 293.352 1.226 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CCCO1 ZINC000820391446 606506694 /nfs/dbraw/zinc/50/66/94/606506694.db2.gz QAIGKSOABMBRTQ-HTQZYQBOSA-N -1 1 293.352 1.226 20 0 CDADMM CC1(C)COCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820607303 606532880 /nfs/dbraw/zinc/53/28/80/606532880.db2.gz POYAUYYUJDXBJX-UHFFFAOYSA-N -1 1 293.352 1.179 20 0 CDADMM CC1(C)COCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820607303 606532882 /nfs/dbraw/zinc/53/28/82/606532882.db2.gz POYAUYYUJDXBJX-UHFFFAOYSA-N -1 1 293.352 1.179 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@H]1C1CC1 ZINC000823482919 606551199 /nfs/dbraw/zinc/55/11/99/606551199.db2.gz CFDKBKCYANXLBZ-SECBINFHSA-N -1 1 289.364 1.943 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H]1C1CC1 ZINC000823482919 606551200 /nfs/dbraw/zinc/55/12/00/606551200.db2.gz CFDKBKCYANXLBZ-SECBINFHSA-N -1 1 289.364 1.943 20 0 CDADMM CO[C@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1(C)C ZINC000821678586 606609693 /nfs/dbraw/zinc/60/96/93/606609693.db2.gz PPSOIUZFFBVTBB-ZJUUUORDSA-N -1 1 274.328 1.487 20 0 CDADMM CO[C@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1(C)C ZINC000821678586 606609694 /nfs/dbraw/zinc/60/96/94/606609694.db2.gz PPSOIUZFFBVTBB-ZJUUUORDSA-N -1 1 274.328 1.487 20 0 CDADMM CC1(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CCC1 ZINC000820576965 606648866 /nfs/dbraw/zinc/64/88/66/606648866.db2.gz FBTMROXHKDALJJ-UHFFFAOYSA-N -1 1 273.296 1.495 20 0 CDADMM CC1(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CCC1 ZINC000820576965 606648867 /nfs/dbraw/zinc/64/88/67/606648867.db2.gz FBTMROXHKDALJJ-UHFFFAOYSA-N -1 1 273.296 1.495 20 0 CDADMM O=C(N[C@H]1CCC(F)(F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823146192 606940945 /nfs/dbraw/zinc/94/09/45/606940945.db2.gz VGTLEJIFUCXYNF-QMMMGPOBSA-N -1 1 294.265 1.179 20 0 CDADMM O=C(N[C@H]1CCC(F)(F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823146192 606940947 /nfs/dbraw/zinc/94/09/47/606940947.db2.gz VGTLEJIFUCXYNF-QMMMGPOBSA-N -1 1 294.265 1.179 20 0 CDADMM O=c1c(-c2nn[n-]n2)cn(C/C=C\Cl)c2ccccc12 ZINC000823657425 607166845 /nfs/dbraw/zinc/16/68/45/607166845.db2.gz OTLDLSVXLMULHP-UTCJRWHESA-N -1 1 287.710 1.934 20 0 CDADMM COC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC000826151587 607903203 /nfs/dbraw/zinc/90/32/03/607903203.db2.gz FKHVNCXSCMEVMF-SNVBAGLBSA-N -1 1 260.301 1.099 20 0 CDADMM COC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC000826151587 607903204 /nfs/dbraw/zinc/90/32/04/607903204.db2.gz FKHVNCXSCMEVMF-SNVBAGLBSA-N -1 1 260.301 1.099 20 0 CDADMM COC[C@H](Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC000826151586 607903254 /nfs/dbraw/zinc/90/32/54/607903254.db2.gz FKHVNCXSCMEVMF-JTQLQIEISA-N -1 1 260.301 1.099 20 0 CDADMM COC[C@H](Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC000826151586 607903255 /nfs/dbraw/zinc/90/32/55/607903255.db2.gz FKHVNCXSCMEVMF-JTQLQIEISA-N -1 1 260.301 1.099 20 0 CDADMM CN(Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825966141 607987772 /nfs/dbraw/zinc/98/77/72/607987772.db2.gz PVTAEFDESFAOIU-UHFFFAOYSA-N -1 1 285.286 1.432 20 0 CDADMM CN(Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825966141 607987773 /nfs/dbraw/zinc/98/77/73/607987773.db2.gz PVTAEFDESFAOIU-UHFFFAOYSA-N -1 1 285.286 1.432 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C1CCC(F)(F)CC1 ZINC000826395221 608011719 /nfs/dbraw/zinc/01/17/19/608011719.db2.gz SEUHYYJOXWWYOH-UHFFFAOYSA-N -1 1 297.269 1.111 20 0 CDADMM CN(Cc1ccc(O)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC000825966171 608016045 /nfs/dbraw/zinc/01/60/45/608016045.db2.gz REVJAQLEDHQQEX-UHFFFAOYSA-N -1 1 282.307 1.604 20 0 CDADMM CN(Cc1ccc(O)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC000825966171 608016046 /nfs/dbraw/zinc/01/60/46/608016046.db2.gz REVJAQLEDHQQEX-UHFFFAOYSA-N -1 1 282.307 1.604 20 0 CDADMM Cc1ccc([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)o1 ZINC000826282699 608391765 /nfs/dbraw/zinc/39/17/65/608391765.db2.gz ASPIRNQNDFDNPM-QMMMGPOBSA-N -1 1 271.284 1.731 20 0 CDADMM Cc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)o1 ZINC000826282699 608391768 /nfs/dbraw/zinc/39/17/68/608391768.db2.gz ASPIRNQNDFDNPM-QMMMGPOBSA-N -1 1 271.284 1.731 20 0 CDADMM c1c2ccccc2[nH]c1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826522603 608408118 /nfs/dbraw/zinc/40/81/18/608408118.db2.gz HRLPXEZOOAAEHE-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1c2ccccc2[nH]c1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826522603 608408120 /nfs/dbraw/zinc/40/81/20/608408120.db2.gz HRLPXEZOOAAEHE-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM Fc1ccc(F)c(Oc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826375372 608414028 /nfs/dbraw/zinc/41/40/28/608414028.db2.gz KXMKCDRPZMEOPD-UHFFFAOYSA-N -1 1 276.206 1.727 20 0 CDADMM Fc1ccc(F)c(Oc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826375372 608414030 /nfs/dbraw/zinc/41/40/30/608414030.db2.gz KXMKCDRPZMEOPD-UHFFFAOYSA-N -1 1 276.206 1.727 20 0 CDADMM CO[C@@H]1CCC[C@@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC000826145271 608416670 /nfs/dbraw/zinc/41/66/70/608416670.db2.gz CQYWIGFGQZWLBF-MWLCHTKSSA-N -1 1 274.328 1.489 20 0 CDADMM CO[C@@H]1CCC[C@@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC000826145271 608416671 /nfs/dbraw/zinc/41/66/71/608416671.db2.gz CQYWIGFGQZWLBF-MWLCHTKSSA-N -1 1 274.328 1.489 20 0 CDADMM c1ccc(C[C@@H]2C[C@@H]2Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826520786 608424174 /nfs/dbraw/zinc/42/41/74/608424174.db2.gz RCHKZAHJADXINF-YPMHNXCESA-N -1 1 293.334 1.700 20 0 CDADMM c1ccc(C[C@@H]2C[C@@H]2Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826520786 608424176 /nfs/dbraw/zinc/42/41/76/608424176.db2.gz RCHKZAHJADXINF-YPMHNXCESA-N -1 1 293.334 1.700 20 0 CDADMM C[C@@H]1CC[C@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824906932 608426052 /nfs/dbraw/zinc/42/60/52/608426052.db2.gz FOWMUUROZLFTDF-BDAKNGLRSA-N -1 1 259.317 1.282 20 0 CDADMM CC(C)(CNc1nccnc1-c1nnn[n-]1)c1ccncc1 ZINC000824162793 608553275 /nfs/dbraw/zinc/55/32/75/608553275.db2.gz OIYJXTCLXUTBJF-UHFFFAOYSA-N -1 1 296.338 1.441 20 0 CDADMM CC(C)(CNc1nccnc1-c1nn[n-]n1)c1ccncc1 ZINC000824162793 608553277 /nfs/dbraw/zinc/55/32/77/608553277.db2.gz OIYJXTCLXUTBJF-UHFFFAOYSA-N -1 1 296.338 1.441 20 0 CDADMM CO[C@@H]1[C@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1(C)C ZINC000826144101 608587206 /nfs/dbraw/zinc/58/72/06/608587206.db2.gz BGZFXINBSBXEAR-PPKCKEKNSA-N -1 1 289.343 1.128 20 0 CDADMM CO[C@@H]1[C@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1(C)C ZINC000826144101 608587207 /nfs/dbraw/zinc/58/72/07/608587207.db2.gz BGZFXINBSBXEAR-PPKCKEKNSA-N -1 1 289.343 1.128 20 0 CDADMM CC(C)(C)OC(=O)CCCCn1ccnc1-c1nnn[n-]1 ZINC000824100683 609489169 /nfs/dbraw/zinc/48/91/69/609489169.db2.gz VPBAZKZXPAEWPD-UHFFFAOYSA-N -1 1 292.343 1.575 20 0 CDADMM CC(C)(C)OC(=O)CCCCn1ccnc1-c1nn[n-]n1 ZINC000824100683 609489172 /nfs/dbraw/zinc/48/91/72/609489172.db2.gz VPBAZKZXPAEWPD-UHFFFAOYSA-N -1 1 292.343 1.575 20 0 CDADMM C[C@]1(C2CC2)COCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000890586668 617222064 /nfs/dbraw/zinc/22/20/64/617222064.db2.gz NFFVZZHTPHMFLM-MRXNPFEDSA-N -1 1 289.331 1.602 20 0 CDADMM O=C(Cc1ccc([O-])c(Cl)c1)NCC[C@H](O)C1CC1 ZINC000890715473 617300168 /nfs/dbraw/zinc/30/01/68/617300168.db2.gz YLUJVNXDBDVUKC-LBPRGKRZSA-N -1 1 283.755 1.865 20 0 CDADMM O=C(N[C@@H]1COC[C@H]1C1CC1)C(=O)c1ccc([O-])cc1 ZINC000891048034 617356339 /nfs/dbraw/zinc/35/63/39/617356339.db2.gz UQHMCJDXGGPOJH-QWHCGFSZSA-N -1 1 275.304 1.116 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1CC12CC(O)C2 ZINC000888962806 617461540 /nfs/dbraw/zinc/46/15/40/617461540.db2.gz JELHDEAIWYMVBB-VOZQYIJBSA-N -1 1 291.351 1.257 20 0 CDADMM CCCC(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000982357875 614823057 /nfs/dbraw/zinc/82/30/57/614823057.db2.gz DGLFJEPYFZCYLG-LLVKDONJSA-N -1 1 291.351 1.166 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccco1 ZINC000891631915 617513321 /nfs/dbraw/zinc/51/33/21/617513321.db2.gz QALPJPHEPNERQW-UHFFFAOYSA-N -1 1 259.265 1.906 20 0 CDADMM COCc1nc(N(C)CCCSC)cc(=O)[n-]1 ZINC000893676127 617832268 /nfs/dbraw/zinc/83/22/68/617832268.db2.gz XQOKSTXQGQBYKN-UHFFFAOYSA-N -1 1 257.359 1.518 20 0 CDADMM Cc1ccc(OCCCC(=O)N(C)c2nn[n-]n2)c(C)c1 ZINC000892954617 617975554 /nfs/dbraw/zinc/97/55/54/617975554.db2.gz NSMZGPXRVNGYRH-UHFFFAOYSA-N -1 1 289.339 1.639 20 0 CDADMM C[C@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1)C1CCCCC1 ZINC000909397430 618076987 /nfs/dbraw/zinc/07/69/87/618076987.db2.gz RXBSJPHGZDJLSL-JSGCOSHPSA-N -1 1 296.411 1.868 20 0 CDADMM COCc1nc(N2CCC(C3CC3)CC2)cc(=O)[n-]1 ZINC000893949201 618215657 /nfs/dbraw/zinc/21/56/57/618215657.db2.gz JWYBYDNPDJIGGP-UHFFFAOYSA-N -1 1 263.341 1.955 20 0 CDADMM O=C(Nc1nccn1C1CC1)c1cnc(C2CC2)[n-]c1=O ZINC000910574399 618279383 /nfs/dbraw/zinc/27/93/83/618279383.db2.gz HVTLRWANUIYTPL-UHFFFAOYSA-N -1 1 285.307 1.843 20 0 CDADMM CC(C)[N@@H+](CC(=O)[O-])Cc1cc(C(F)(F)F)n[nH]1 ZINC000901978255 618394853 /nfs/dbraw/zinc/39/48/53/618394853.db2.gz WZBPYPWVXKRNJJ-UHFFFAOYSA-N -1 1 265.235 1.724 20 0 CDADMM C[C@H]1CCCN1S(=O)(=O)[N-]c1nn(C)c2ccccc21 ZINC000901988441 618426070 /nfs/dbraw/zinc/42/60/70/618426070.db2.gz YQAXZORSZRUJHH-JTQLQIEISA-N -1 1 294.380 1.714 20 0 CDADMM C[C@@H](C(=O)[O-])N(C)Cc1cc(C(F)(F)F)n[nH]1 ZINC000901979825 618452232 /nfs/dbraw/zinc/45/22/32/618452232.db2.gz LKXHJOIXMFBTHC-YFKPBYRVSA-N -1 1 251.208 1.333 20 0 CDADMM CCCn1nc(C)c(C[N@@H+](C)CCC(=O)[O-])c1C ZINC000820329976 618528126 /nfs/dbraw/zinc/52/81/26/618528126.db2.gz IETLNLLLPJOEMW-UHFFFAOYSA-N -1 1 253.346 1.816 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc3[nH]nnc3c2)C[C@H]1CC(=O)[O-] ZINC000910868579 618553099 /nfs/dbraw/zinc/55/30/99/618553099.db2.gz GWUYZVQELQUXFK-PSASIEDQSA-N -1 1 288.307 1.141 20 0 CDADMM OCCCCCCNc1cccc(-c2nnn[n-]2)n1 ZINC000826509646 618593946 /nfs/dbraw/zinc/59/39/46/618593946.db2.gz CCYXSXLPDXSJTE-UHFFFAOYSA-N -1 1 262.317 1.226 20 0 CDADMM OCCCCCCNc1cccc(-c2nn[n-]n2)n1 ZINC000826509646 618593950 /nfs/dbraw/zinc/59/39/50/618593950.db2.gz CCYXSXLPDXSJTE-UHFFFAOYSA-N -1 1 262.317 1.226 20 0 CDADMM OCCCCCCOc1cccc(F)c1-c1nnn[n-]1 ZINC000826509859 618595007 /nfs/dbraw/zinc/59/50/07/618595007.db2.gz NHUCVMQCWRZKMS-UHFFFAOYSA-N -1 1 280.303 1.937 20 0 CDADMM OCCCCCCOc1cccc(F)c1-c1nn[n-]n1 ZINC000826509859 618595009 /nfs/dbraw/zinc/59/50/09/618595009.db2.gz NHUCVMQCWRZKMS-UHFFFAOYSA-N -1 1 280.303 1.937 20 0 CDADMM CC(C)[C@]1(C)CC(=O)N(CN2CC[C@](C)(C(=O)[O-])C2)C1=O ZINC000826722148 618608714 /nfs/dbraw/zinc/60/87/14/618608714.db2.gz FMNFRFKLSJBTPK-GJZGRUSLSA-N -1 1 296.367 1.162 20 0 CDADMM 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COC(=O)c1nc2ccc(-c3conc3C)[n-]c-2n1 ZINC001243678294 1162471465 /nfs/dbraw/zinc/47/14/65/1162471465.db2.gz RYBQRPNXXRMNJK-UHFFFAOYSA-N -1 1 258.237 1.708 20 0 CDADMM COC(=O)c1nc2ccc(-c3conc3C)nc2[n-]1 ZINC001243678294 1162471467 /nfs/dbraw/zinc/47/14/67/1162471467.db2.gz RYBQRPNXXRMNJK-UHFFFAOYSA-N -1 1 258.237 1.708 20 0 CDADMM CC[C@@H](OC(=O)c1cn[n-]n1)C(=O)NCc1ccccc1 ZINC000805608592 1162587011 /nfs/dbraw/zinc/58/70/11/1162587011.db2.gz GTGIWXFXNSZTHG-GFCCVEGCSA-N -1 1 288.307 1.057 20 0 CDADMM CSc1cccc(F)c1C(=O)N(C)c1nn[n-]n1 ZINC001131172290 1162820345 /nfs/dbraw/zinc/82/03/45/1162820345.db2.gz INBYSILODUVNHR-UHFFFAOYSA-N -1 1 267.289 1.337 20 0 CDADMM CN(CC[S@](C)=O)Cc1ccc(C(=O)[O-])cc1 ZINC000398924267 1158569609 /nfs/dbraw/zinc/56/96/09/1158569609.db2.gz MPWDYFOEKSMJOI-KRWDZBQOSA-N -1 1 255.339 1.195 20 0 CDADMM O=C(c1ccc(O)cn1)N1CC2(CCN2C2CCCC2)C1 ZINC001269894683 1160077622 /nfs/dbraw/zinc/07/76/22/1160077622.db2.gz AIBINLHPXZFPCZ-UHFFFAOYSA-N -1 1 287.363 1.630 20 0 CDADMM CCCC(C)(C)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001604128428 1163097608 /nfs/dbraw/zinc/09/76/08/1163097608.db2.gz OKYXIUSCCQNIJT-UHFFFAOYSA-N -1 1 289.343 1.962 20 0 CDADMM CCCC(C)(C)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001604128428 1163097612 /nfs/dbraw/zinc/09/76/12/1163097612.db2.gz OKYXIUSCCQNIJT-UHFFFAOYSA-N -1 1 289.343 1.962 20 0 CDADMM CC(=O)Nc1cccc(NC(=O)c2ccc([O-])cn2)c1 ZINC000586730931 1160241314 /nfs/dbraw/zinc/24/13/14/1160241314.db2.gz FQYDIFMRAKMNQJ-UHFFFAOYSA-N -1 1 271.276 1.998 20 0 CDADMM CCC[C@@H](CCO)Nc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001604143798 1163104646 /nfs/dbraw/zinc/10/46/46/1163104646.db2.gz LZUPUXBCCRAIGI-JTQLQIEISA-N -1 1 276.344 1.533 20 0 CDADMM CCC[C@@H](CCO)Nc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001604143798 1163104652 /nfs/dbraw/zinc/10/46/52/1163104652.db2.gz LZUPUXBCCRAIGI-JTQLQIEISA-N -1 1 276.344 1.533 20 0 CDADMM CCCCC(=O)COC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001604157242 1163110442 /nfs/dbraw/zinc/11/04/42/1163110442.db2.gz ZRDCLVLHSDTMSC-UHFFFAOYSA-N -1 1 292.295 1.684 20 0 CDADMM CCCCC(=O)COC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001604157242 1163110447 /nfs/dbraw/zinc/11/04/47/1163110447.db2.gz ZRDCLVLHSDTMSC-UHFFFAOYSA-N -1 1 292.295 1.684 20 0 CDADMM C[C@H](CN(Cc1cc(Cl)n(C)n1)C1CC1)C(=O)[O-] ZINC001604160959 1163111856 /nfs/dbraw/zinc/11/18/56/1163111856.db2.gz IXCYEPCRPWPKLV-MRVPVSSYSA-N -1 1 271.748 1.759 20 0 CDADMM O=C([O-])c1cccc(Cc2noc([C@@H]3CNCCO3)n2)c1 ZINC001771743613 1160508989 /nfs/dbraw/zinc/50/89/89/1160508989.db2.gz SNSBIEZMKHEUNK-NSHDSACASA-N -1 1 289.291 1.020 20 0 CDADMM CCC[C@@H]1C[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001604238075 1163131629 /nfs/dbraw/zinc/13/16/29/1163131629.db2.gz JUMOCOBHRXMDLN-LDYMZIIASA-N -1 1 272.312 1.180 20 0 CDADMM CCC[C@@H]1C[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001604238075 1163131634 /nfs/dbraw/zinc/13/16/34/1163131634.db2.gz JUMOCOBHRXMDLN-LDYMZIIASA-N -1 1 272.312 1.180 20 0 CDADMM CCN(C(=O)c1cccc(-c2nnn[n-]2)n1)C1CCC1 ZINC001604266031 1163138080 /nfs/dbraw/zinc/13/80/80/1163138080.db2.gz 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/nfs/dbraw/zinc/19/38/92/1163193892.db2.gz ZQYMZPPPLVWNDG-UHFFFAOYSA-N -1 1 299.338 1.522 20 0 CDADMM CCOc1cccc(Cn2c(C)c(C)nc2-c2nn[n-]n2)n1 ZINC001604465956 1163193897 /nfs/dbraw/zinc/19/38/97/1163193897.db2.gz ZQYMZPPPLVWNDG-UHFFFAOYSA-N -1 1 299.338 1.522 20 0 CDADMM CCc1nn(C)cc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001604577892 1163236279 /nfs/dbraw/zinc/23/62/79/1163236279.db2.gz DCVYEZQABLOKCP-UHFFFAOYSA-N -1 1 287.283 1.008 20 0 CDADMM CCc1nn(C)cc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001604577892 1163236283 /nfs/dbraw/zinc/23/62/83/1163236283.db2.gz DCVYEZQABLOKCP-UHFFFAOYSA-N -1 1 287.283 1.008 20 0 CDADMM C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1CC(=O)[O-] ZINC001604767600 1163317168 /nfs/dbraw/zinc/31/71/68/1163317168.db2.gz DSQXYZAIRCFSOT-UWVGGRQHSA-N -1 1 256.346 1.038 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NC[C@@H]1C=CCC1 ZINC001604789702 1163323985 /nfs/dbraw/zinc/32/39/85/1163323985.db2.gz GFOMPMAOMLSFRE-QWHCGFSZSA-N -1 1 295.383 1.143 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)CC1CCCC1 ZINC001604790395 1163324842 /nfs/dbraw/zinc/32/48/42/1163324842.db2.gz KJLDYAJRZXXJPK-LBPRGKRZSA-N -1 1 282.384 1.574 20 0 CDADMM CC[C@@H](C)c1nc([C@H](C)Nc2nccc(C(=O)[O-])n2)n[nH]1 ZINC001604974993 1163402709 /nfs/dbraw/zinc/40/27/09/1163402709.db2.gz AHCIDVMBQAJQLU-SFYZADRCSA-N -1 1 290.327 1.980 20 0 CDADMM CO[C@H]1C[C@@H](Nc2ncncc2-c2nn[n-]n2)C12CCC2 ZINC001605023794 1163421589 /nfs/dbraw/zinc/42/15/89/1163421589.db2.gz HVXOXMWLFQXMID-ZJUUUORDSA-N -1 1 287.327 1.026 20 0 CDADMM CO[C@H]1CC[C@H](Nc2nc(-c3nn[n-]n3)ccc2C)C1 ZINC001605029041 1163422754 /nfs/dbraw/zinc/42/27/54/1163422754.db2.gz INACQJMPPOWZAV-UWVGGRQHSA-N -1 1 274.328 1.550 20 0 CDADMM CCC1(CC)CNC(=O)[C@H]1N[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001605140909 1163465006 /nfs/dbraw/zinc/46/50/06/1163465006.db2.gz PQJXNIQKSRUXSH-JOYOIKCWSA-N -1 1 294.351 1.933 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C[C@H](C)O1 ZINC001605443311 1163566170 /nfs/dbraw/zinc/56/61/70/1163566170.db2.gz LRQYPSBVTOMJNU-BDAKNGLRSA-N -1 1 291.311 1.099 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C[C@H](C)O1 ZINC001605443311 1163566174 /nfs/dbraw/zinc/56/61/74/1163566174.db2.gz LRQYPSBVTOMJNU-BDAKNGLRSA-N -1 1 291.311 1.099 20 0 CDADMM CCOC(=O)[C@H]1CCCN(Cc2cc(C(=O)[O-])c(C)[nH]2)C1 ZINC001605526306 1163597447 /nfs/dbraw/zinc/59/74/47/1163597447.db2.gz LYGVYQKAQLCJAQ-NSHDSACASA-N -1 1 294.351 1.796 20 0 CDADMM Cc1cc(C)c(CNc2nc(C)cc(-c3nnn[n-]3)n2)cn1 ZINC001605641858 1163632001 /nfs/dbraw/zinc/63/20/01/1163632001.db2.gz JQDFMCBGXRCVTN-UHFFFAOYSA-N -1 1 296.338 1.589 20 0 CDADMM Cc1cc(C)c(CNc2nc(C)cc(-c3nn[n-]n3)n2)cn1 ZINC001605641858 1163632004 /nfs/dbraw/zinc/63/20/04/1163632004.db2.gz JQDFMCBGXRCVTN-UHFFFAOYSA-N -1 1 296.338 1.589 20 0 CDADMM Cc1cc(NCCc2nccs2)nc(-c2nnn[n-]2)c1 ZINC001605737700 1163656072 /nfs/dbraw/zinc/65/60/72/1163656072.db2.gz NXPMKHBTNIQNNN-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM Cc1cc(NCCc2nccs2)nc(-c2nn[n-]n2)c1 ZINC001605737700 1163656077 /nfs/dbraw/zinc/65/60/77/1163656077.db2.gz NXPMKHBTNIQNNN-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM CCc1cc(=O)[n-]c(C[NH2+][C@](C)(CC)C(=O)[O-])n1 ZINC001605799697 1163674969 /nfs/dbraw/zinc/67/49/69/1163674969.db2.gz BLEUKTREELIEMN-GFCCVEGCSA-N -1 1 253.302 1.088 20 0 CDADMM Cc1ccc(N[C@@H]2COC[C@H]2C)nc1-c1nnn[n-]1 ZINC001605871541 1163700435 /nfs/dbraw/zinc/70/04/35/1163700435.db2.gz FZDZRXUILYWORV-RKDXNWHRSA-N -1 1 260.301 1.017 20 0 CDADMM Cc1ccc(N[C@@H]2COC[C@H]2C)nc1-c1nn[n-]n1 ZINC001605871541 1163700442 /nfs/dbraw/zinc/70/04/42/1163700442.db2.gz FZDZRXUILYWORV-RKDXNWHRSA-N -1 1 260.301 1.017 20 0 CDADMM Cc1[nH]nc(NC(=O)C2=CCCCC2)c1-c1nn[n-]n1 ZINC001606013150 1163743314 /nfs/dbraw/zinc/74/33/14/1163743314.db2.gz FDCRLWQLAZEAFX-UHFFFAOYSA-N -1 1 273.300 1.337 20 0 CDADMM Cc1nc(Nc2cnn(C3CCC3)c2)cc(-c2nnn[n-]2)n1 ZINC001606078586 1163767022 /nfs/dbraw/zinc/76/70/22/1163767022.db2.gz MHRQUVQNMHNMPZ-UHFFFAOYSA-N -1 1 297.326 1.630 20 0 CDADMM Cc1nc(Nc2cnn(C3CCC3)c2)cc(-c2nn[n-]n2)n1 ZINC001606078586 1163767026 /nfs/dbraw/zinc/76/70/26/1163767026.db2.gz MHRQUVQNMHNMPZ-UHFFFAOYSA-N -1 1 297.326 1.630 20 0 CDADMM Clc1ccc(NCCc2cc[nH]n2)nc1-c1nn[n-]n1 ZINC001606193340 1163803714 /nfs/dbraw/zinc/80/37/14/1163803714.db2.gz CENOOLYTKVOUED-UHFFFAOYSA-N -1 1 290.718 1.293 20 0 CDADMM CN1CCN(C[C@H]2[C@H](C(=O)[O-])C2(F)F)Cc2cccnc21 ZINC001606239883 1163824746 /nfs/dbraw/zinc/82/47/46/1163824746.db2.gz ZCCMERYADFDXNM-WDEREUQCSA-N -1 1 297.305 1.299 20 0 CDADMM FC(F)CN(Cc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001606297471 1163842614 /nfs/dbraw/zinc/84/26/14/1163842614.db2.gz WVKXUCAMLGBORK-UHFFFAOYSA-N -1 1 280.282 1.491 20 0 CDADMM FC(F)CN(Cc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001606297471 1163842620 /nfs/dbraw/zinc/84/26/20/1163842620.db2.gz WVKXUCAMLGBORK-UHFFFAOYSA-N -1 1 280.282 1.491 20 0 CDADMM CNc1ccc(C)cc1CN1CCOC[C@@H]1CC(=O)[O-] ZINC001606311805 1163853954 /nfs/dbraw/zinc/85/39/54/1163853954.db2.gz RPLDRAAKYCYROV-ZDUSSCGKSA-N -1 1 278.352 1.712 20 0 CDADMM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(CC=C(Cl)Cl)C1 ZINC001606393950 1163886989 /nfs/dbraw/zinc/88/69/89/1163886989.db2.gz KITLIWLXBQNUGD-JGVFFNPUSA-N -1 1 296.150 1.644 20 0 CDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)C1=CCCCCC1 ZINC001606842216 1164012621 /nfs/dbraw/zinc/01/26/21/1164012621.db2.gz LOTNFTWGSXNRFK-UHFFFAOYSA-N -1 1 298.350 1.768 20 0 CDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)C1=CCCCCC1 ZINC001606842216 1164012629 /nfs/dbraw/zinc/01/26/29/1164012629.db2.gz LOTNFTWGSXNRFK-UHFFFAOYSA-N -1 1 298.350 1.768 20 0 CDADMM O=C(Nc1ccc(F)cn1)c1cccc(-c2nnn[n-]2)n1 ZINC001606923886 1164032044 /nfs/dbraw/zinc/03/20/44/1164032044.db2.gz WOOQUDRQMLILTQ-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(Nc1ccc(F)cn1)c1cccc(-c2nn[n-]n2)n1 ZINC001606923886 1164032048 /nfs/dbraw/zinc/03/20/48/1164032048.db2.gz WOOQUDRQMLILTQ-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(Nc1nccn1C1CC1)c1coc(-c2nnn[n-]2)c1 ZINC001606954583 1164038892 /nfs/dbraw/zinc/03/88/92/1164038892.db2.gz SUNUDKFMCWMKNT-UHFFFAOYSA-N -1 1 285.267 1.243 20 0 CDADMM O=C(Nc1nccn1C1CC1)c1coc(-c2nn[n-]n2)c1 ZINC001606954583 1164038900 /nfs/dbraw/zinc/03/89/00/1164038900.db2.gz SUNUDKFMCWMKNT-UHFFFAOYSA-N -1 1 285.267 1.243 20 0 CDADMM O=C(Nc1nccnc1C1CC1)c1coc(-c2nnn[n-]2)c1 ZINC001606954161 1164039804 /nfs/dbraw/zinc/03/98/04/1164039804.db2.gz IKJWLHJBVSUHEO-UHFFFAOYSA-N -1 1 297.278 1.379 20 0 CDADMM O=C(Nc1nccnc1C1CC1)c1coc(-c2nn[n-]n2)c1 ZINC001606954161 1164039809 /nfs/dbraw/zinc/03/98/09/1164039809.db2.gz IKJWLHJBVSUHEO-UHFFFAOYSA-N -1 1 297.278 1.379 20 0 CDADMM COCc1nnc(C[NH2+][C@H](C)c2cc(C(=O)[O-])cs2)[n-]1 ZINC001606982633 1164048470 /nfs/dbraw/zinc/04/84/70/1164048470.db2.gz YGVGGWCBYBXGNE-SSDOTTSWSA-N -1 1 296.352 1.562 20 0 CDADMM COc1c(Cl)cccc1NS(=O)(=O)CCC(=O)[O-] ZINC001607019315 1164060993 /nfs/dbraw/zinc/06/09/93/1164060993.db2.gz IXTXTQHGEHOGTH-UHFFFAOYSA-N -1 1 293.728 1.565 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCC(F)(F)C1 ZINC001607017025 1164061252 /nfs/dbraw/zinc/06/12/52/1164061252.db2.gz KHZROFVCNWXCLN-UHFFFAOYSA-N -1 1 299.306 1.800 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCC(F)(F)C1 ZINC001607017025 1164061259 /nfs/dbraw/zinc/06/12/59/1164061259.db2.gz KHZROFVCNWXCLN-UHFFFAOYSA-N -1 1 299.306 1.800 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC001607022085 1164063120 /nfs/dbraw/zinc/06/31/20/1164063120.db2.gz LTRDZXATICRHLI-PHIMTYICSA-N -1 1 298.350 1.524 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC001607022085 1164063127 /nfs/dbraw/zinc/06/31/27/1164063127.db2.gz LTRDZXATICRHLI-PHIMTYICSA-N -1 1 298.350 1.524 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1ccsc1Cl ZINC001607090382 1164068640 /nfs/dbraw/zinc/06/86/40/1164068640.db2.gz OQWMSSUMZZFROJ-UHFFFAOYSA-N -1 1 293.739 1.792 20 0 CDADMM OC[C@H]1C=C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001607106912 1164086411 /nfs/dbraw/zinc/08/64/11/1164086411.db2.gz ILWVVKMIKYHGCX-NTSWFWBYSA-N -1 1 298.759 1.326 20 0 CDADMM OCCCCCCCOc1cccnc1-c1nnn[n-]1 ZINC001607105395 1164088044 /nfs/dbraw/zinc/08/80/44/1164088044.db2.gz GVAFBVUQFHWTIM-UHFFFAOYSA-N -1 1 277.328 1.583 20 0 CDADMM OCCCCCCCOc1cccnc1-c1nn[n-]n1 ZINC001607105395 1164088051 /nfs/dbraw/zinc/08/80/51/1164088051.db2.gz GVAFBVUQFHWTIM-UHFFFAOYSA-N -1 1 277.328 1.583 20 0 CDADMM c1cc2c(s1)CN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001607123710 1164106232 /nfs/dbraw/zinc/10/62/32/1164106232.db2.gz UYOHKRKMIBOFCV-UHFFFAOYSA-N -1 1 285.336 1.281 20 0 CDADMM c1cc2c(s1)CN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001607123710 1164106235 /nfs/dbraw/zinc/10/62/35/1164106235.db2.gz UYOHKRKMIBOFCV-UHFFFAOYSA-N -1 1 285.336 1.281 20 0 CDADMM c1ccc2c(c1)CC[C@H]2Nc1cc(-c2nnn[n-]2)ncn1 ZINC001607132405 1164109828 /nfs/dbraw/zinc/10/98/28/1164109828.db2.gz GGIWERRKADHBGF-LLVKDONJSA-N -1 1 279.307 1.756 20 0 CDADMM c1ccc2c(c1)CC[C@H]2Nc1cc(-c2nn[n-]n2)ncn1 ZINC001607132405 1164109834 /nfs/dbraw/zinc/10/98/34/1164109834.db2.gz GGIWERRKADHBGF-LLVKDONJSA-N -1 1 279.307 1.756 20 0 CDADMM c1ccc(C[C@H]2C[C@@H]2Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001607129615 1164109918 /nfs/dbraw/zinc/10/99/18/1164109918.db2.gz MRSQPYAQQUPZFO-RYUDHWBXSA-N -1 1 293.334 1.122 20 0 CDADMM c1ccc2c(c1)CCN2c1ncncc1-c1nn[n-]n1 ZINC001607132591 1164110085 /nfs/dbraw/zinc/11/00/85/1164110085.db2.gz NTFJFFZNGLEWBL-UHFFFAOYSA-N -1 1 265.280 1.351 20 0 CDADMM Cc1n[nH]c(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])c1C ZINC000257687731 1164117434 /nfs/dbraw/zinc/11/74/34/1164117434.db2.gz LFYHMBPNBNOEIX-ZJUUUORDSA-N -1 1 265.313 1.400 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NC[C@@H]1CC2CCC1CC2 ZINC001607138491 1164117788 /nfs/dbraw/zinc/11/77/88/1164117788.db2.gz GRHNAOQFAJKIQJ-ILDUYXDCSA-N -1 1 285.355 1.895 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NC[C@@H]1CC2CCC1CC2 ZINC001607138491 1164117793 /nfs/dbraw/zinc/11/77/93/1164117793.db2.gz GRHNAOQFAJKIQJ-ILDUYXDCSA-N -1 1 285.355 1.895 20 0 CDADMM COc1ccc([C@@H](NC/C=C\Cl)C(=O)[O-])cc1O ZINC001607233182 1164134776 /nfs/dbraw/zinc/13/47/76/1164134776.db2.gz PYTKJUIXNWGJRV-SRMRHOMVSA-N -1 1 271.700 1.869 20 0 CDADMM Cc1noc(C)c1[N-]C(=O)c1nc2nccc(C)n2n1 ZINC000063489117 1164129443 /nfs/dbraw/zinc/12/94/43/1164129443.db2.gz FGQJFIOYNUVIAG-UHFFFAOYSA-N -1 1 272.268 1.290 20 0 CDADMM Cc1[nH]c(C(=O)N[C@@H]2CCCN(C)C2)c(C)c1C(=O)[O-] ZINC001607489467 1164202971 /nfs/dbraw/zinc/20/29/71/1164202971.db2.gz AIGVBBVKIAZMPB-SNVBAGLBSA-N -1 1 279.340 1.154 20 0 CDADMM Cc1[nH]ncc1C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001607499933 1164211366 /nfs/dbraw/zinc/21/13/66/1164211366.db2.gz HKIZSLTWUXXBPX-UHFFFAOYSA-N -1 1 271.276 1.619 20 0 CDADMM Cc1cc([C@@H](C)N[C@@H]2CCN(CCC(=O)[O-])C2=O)c(C)o1 ZINC001607609450 1164241221 /nfs/dbraw/zinc/24/12/21/1164241221.db2.gz JSXNZEGXSRLMKK-ZWNOBZJWSA-N -1 1 294.351 1.623 20 0 CDADMM Cc1cc(CN2CC[C@H](O)[C@H](C)C2)[nH]c1C(=O)[O-] ZINC001607637657 1164247075 /nfs/dbraw/zinc/24/70/75/1164247075.db2.gz FWCFQINGUDLJBY-KOLCDFICSA-N -1 1 252.314 1.224 20 0 CDADMM Cc1cc(F)ccc1CN1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001607665507 1164263239 /nfs/dbraw/zinc/26/32/39/1164263239.db2.gz YIYQJOUJKQBTHJ-HNNXBMFYSA-N -1 1 292.310 1.940 20 0 CDADMM Cc1n[nH]c(CCNC(=O)Nc2ccc(C(=O)[O-])s2)n1 ZINC001607954096 1164352579 /nfs/dbraw/zinc/35/25/79/1164352579.db2.gz ATSPTXHKZKJWNH-UHFFFAOYSA-N -1 1 295.324 1.237 20 0 CDADMM Cc1nn(-c2ccccn2)c(C)c1CN[C@@H](CF)C(=O)[O-] ZINC001607995937 1164368664 /nfs/dbraw/zinc/36/86/64/1164368664.db2.gz IHNVYZZGKRHNIN-LBPRGKRZSA-N -1 1 292.314 1.396 20 0 CDADMM NCc1cc(C(=O)NCC2(CC(=O)[O-])CCCC2)co1 ZINC001608258330 1164472585 /nfs/dbraw/zinc/47/25/85/1164472585.db2.gz VPKSOEHHQHBMEH-UHFFFAOYSA-N -1 1 280.324 1.503 20 0 CDADMM O=C([O-])c1cccc(NC(=O)c2cnc3nc[nH]c3c2)c1O ZINC001608519539 1164532129 /nfs/dbraw/zinc/53/21/29/1164532129.db2.gz YXVZDOGXZPVVCH-UHFFFAOYSA-N -1 1 298.258 1.614 20 0 CDADMM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCO[C@]2(CCOC2)C1 ZINC001608560864 1164546695 /nfs/dbraw/zinc/54/66/95/1164546695.db2.gz FSINZHGMZPKHFV-UKRRQHHQSA-N -1 1 295.310 1.443 20 0 CDADMM O=C([O-])CCN1CC[C@H](N2CCC(C(F)F)CC2)C1=O ZINC001608723402 1164621795 /nfs/dbraw/zinc/62/17/95/1164621795.db2.gz OKLCEQPJKZOFAC-JTQLQIEISA-N -1 1 290.310 1.039 20 0 CDADMM O=C([O-])COc1ccccc1CNCc1ccc[nH]c1=O ZINC001608765914 1164631686 /nfs/dbraw/zinc/63/16/86/1164631686.db2.gz ZDVVGHDRBPVOLO-UHFFFAOYSA-N -1 1 288.303 1.540 20 0 CDADMM O=C([O-])c1cc(CN[C@@H]2CCCc3cn[nH]c32)on1 ZINC001608842921 1164660814 /nfs/dbraw/zinc/66/08/14/1164660814.db2.gz KWWJYLLGJLQZDT-SECBINFHSA-N -1 1 262.269 1.263 20 0 CDADMM O=C([O-])c1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)o1 ZINC001608883080 1164674567 /nfs/dbraw/zinc/67/45/67/1164674567.db2.gz OJXQSTPFQDAZHO-WDEREUQCSA-N -1 1 279.292 1.520 20 0 CDADMM O=C([O-])c1cnoc1CN(CCCO)Cc1ccccc1 ZINC001608984980 1164707203 /nfs/dbraw/zinc/70/72/03/1164707203.db2.gz YUHQOJNHEICSQU-UHFFFAOYSA-N -1 1 290.319 1.757 20 0 CDADMM O=C([O-])c1sccc1C(=O)N1CCc2nc[nH]c2C1 ZINC001609008653 1164721263 /nfs/dbraw/zinc/72/12/63/1164721263.db2.gz FDMJNBPTIZZEOK-UHFFFAOYSA-N -1 1 277.305 1.368 20 0 CDADMM C[C@@H](CC(C)(C)C)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609108803 1164772842 /nfs/dbraw/zinc/77/28/42/1164772842.db2.gz IFTGVEANEINSLL-VIFPVBQESA-N -1 1 288.355 1.816 20 0 CDADMM C[C@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001609133258 1164785423 /nfs/dbraw/zinc/78/54/23/1164785423.db2.gz XRBUFQQFDVDPHL-YFKPBYRVSA-N -1 1 287.201 1.369 20 0 CDADMM C[C@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001609133258 1164785428 /nfs/dbraw/zinc/78/54/28/1164785428.db2.gz XRBUFQQFDVDPHL-YFKPBYRVSA-N -1 1 287.201 1.369 20 0 CDADMM CC1(C)CC[C@H](OC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001609144786 1164793735 /nfs/dbraw/zinc/79/37/35/1164793735.db2.gz NDPGHAAGLVNOKI-JTQLQIEISA-N -1 1 287.323 1.997 20 0 CDADMM CC1(C)CC[C@H](OC(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001609144786 1164793744 /nfs/dbraw/zinc/79/37/44/1164793744.db2.gz NDPGHAAGLVNOKI-JTQLQIEISA-N -1 1 287.323 1.997 20 0 CDADMM C[C@@H]1CC(Nc2ncncc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC001609154801 1164802481 /nfs/dbraw/zinc/80/24/81/1164802481.db2.gz RVFJPRAVUPJGKC-IUCAKERBSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1C[C@H]1COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609159900 1164806155 /nfs/dbraw/zinc/80/61/55/1164806155.db2.gz WVFXJAIEOPLPEW-SFYZADRCSA-N -1 1 259.269 1.075 20 0 CDADMM C[C@@H]1C[C@H]1COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609159900 1164806161 /nfs/dbraw/zinc/80/61/61/1164806161.db2.gz WVFXJAIEOPLPEW-SFYZADRCSA-N -1 1 259.269 1.075 20 0 CDADMM C[C@@H]1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001609162761 1164809845 /nfs/dbraw/zinc/80/98/45/1164809845.db2.gz JBGMFTJDGQJZHD-ZJUUUORDSA-N -1 1 273.344 1.895 20 0 CDADMM C[C@@H]1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001609162761 1164809851 /nfs/dbraw/zinc/80/98/51/1164809851.db2.gz JBGMFTJDGQJZHD-ZJUUUORDSA-N -1 1 273.344 1.895 20 0 CDADMM CC[C@@]1(C)CN(c2ccc(C)c(-c3nnn[n-]3)n2)CCO1 ZINC001609196436 1164835864 /nfs/dbraw/zinc/83/58/64/1164835864.db2.gz JKLAPJDXFOUSMV-AWEZNQCLSA-N -1 1 288.355 1.575 20 0 CDADMM CC[C@@]1(C)CN(c2ccc(C)c(-c3nn[n-]n3)n2)CCO1 ZINC001609196436 1164835871 /nfs/dbraw/zinc/83/58/71/1164835871.db2.gz JKLAPJDXFOUSMV-AWEZNQCLSA-N -1 1 288.355 1.575 20 0 CDADMM CCC[C@H]1CN(c2cc(C)nc(-c3nnn[n-]3)c2)CCO1 ZINC001609207884 1164847499 /nfs/dbraw/zinc/84/74/99/1164847499.db2.gz XMYSKDIMEIVTBA-LBPRGKRZSA-N -1 1 288.355 1.575 20 0 CDADMM CCC[C@H]1CN(c2cc(C)nc(-c3nn[n-]n3)c2)CCO1 ZINC001609207884 1164847507 /nfs/dbraw/zinc/84/75/07/1164847507.db2.gz XMYSKDIMEIVTBA-LBPRGKRZSA-N -1 1 288.355 1.575 20 0 CDADMM CCOC1(C)CN(c2cc(C)nc(-c3nnn[n-]3)c2)C1 ZINC001609237372 1164861133 /nfs/dbraw/zinc/86/11/33/1164861133.db2.gz GHJBPWZXHNTGER-UHFFFAOYSA-N -1 1 274.328 1.185 20 0 CDADMM CCOC1(C)CN(c2cc(C)nc(-c3nn[n-]n3)c2)C1 ZINC001609237372 1164861140 /nfs/dbraw/zinc/86/11/40/1164861140.db2.gz GHJBPWZXHNTGER-UHFFFAOYSA-N -1 1 274.328 1.185 20 0 CDADMM COc1ccc(CNc2cc(C)nc(-c3nnn[n-]3)c2)nc1 ZINC001609355920 1164907994 /nfs/dbraw/zinc/90/79/94/1164907994.db2.gz ZAXSQVPWDXIAJI-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1ccc(CNc2cc(C)nc(-c3nn[n-]n3)c2)nc1 ZINC001609355920 1164908004 /nfs/dbraw/zinc/90/80/04/1164908004.db2.gz ZAXSQVPWDXIAJI-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC3(CCC3)[C@H]2C2CC2)n1 ZINC001609391431 1164923630 /nfs/dbraw/zinc/92/36/30/1164923630.db2.gz JCJCLVDSYLGSNV-GFCCVEGCSA-N -1 1 297.366 1.734 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC3(CCC3)[C@H]2C2CC2)n1 ZINC001609391431 1164923640 /nfs/dbraw/zinc/92/36/40/1164923640.db2.gz JCJCLVDSYLGSNV-GFCCVEGCSA-N -1 1 297.366 1.734 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCOC[C@@H]2C)n1 ZINC001609392367 1164927219 /nfs/dbraw/zinc/92/72/19/1164927219.db2.gz NQGFJTHFFYJHHN-WCBMZHEXSA-N -1 1 289.343 1.050 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCOC[C@@H]2C)n1 ZINC001609392367 1164927225 /nfs/dbraw/zinc/92/72/25/1164927225.db2.gz NQGFJTHFFYJHHN-WCBMZHEXSA-N -1 1 289.343 1.050 20 0 CDADMM Cc1cc(NCC(C)(C)CCCO)cc(-c2nnn[n-]2)n1 ZINC001609409673 1164933825 /nfs/dbraw/zinc/93/38/25/1164933825.db2.gz SWEMBIWAPBIKER-UHFFFAOYSA-N -1 1 290.371 1.781 20 0 CDADMM Cc1cc(NCC(C)(C)CCCO)cc(-c2nn[n-]n2)n1 ZINC001609409673 1164933831 /nfs/dbraw/zinc/93/38/31/1164933831.db2.gz SWEMBIWAPBIKER-UHFFFAOYSA-N -1 1 290.371 1.781 20 0 CDADMM Cc1ccc(F)c(CN(C)c2cc(-c3nnn[n-]3)ncn2)c1 ZINC001609424066 1164939407 /nfs/dbraw/zinc/93/94/07/1164939407.db2.gz LAZUZQKBGPSKQJ-UHFFFAOYSA-N -1 1 299.313 1.741 20 0 CDADMM Cc1ccc(F)c(CN(C)c2cc(-c3nn[n-]n3)ncn2)c1 ZINC001609424066 1164939410 /nfs/dbraw/zinc/93/94/10/1164939410.db2.gz LAZUZQKBGPSKQJ-UHFFFAOYSA-N -1 1 299.313 1.741 20 0 CDADMM Cc1ccc(N(C)C[C@@H]2CCCCO2)nc1-c1nnn[n-]1 ZINC001609424719 1164940699 /nfs/dbraw/zinc/94/06/99/1164940699.db2.gz DZSRKDIHJJSSNO-NSHDSACASA-N -1 1 288.355 1.575 20 0 CDADMM Cc1ccc(N(C)C[C@@H]2CCCCO2)nc1-c1nn[n-]n1 ZINC001609424719 1164940706 /nfs/dbraw/zinc/94/07/06/1164940706.db2.gz DZSRKDIHJJSSNO-NSHDSACASA-N -1 1 288.355 1.575 20 0 CDADMM Cc1ccc(N2CCCCCC2)nc1-c1nnn[n-]1 ZINC001609425620 1164942652 /nfs/dbraw/zinc/94/26/52/1164942652.db2.gz ZVQIUDKQTFNPPI-UHFFFAOYSA-N -1 1 258.329 1.951 20 0 CDADMM Cc1ccc(N2CCCCCC2)nc1-c1nn[n-]n1 ZINC001609425620 1164942658 /nfs/dbraw/zinc/94/26/58/1164942658.db2.gz ZVQIUDKQTFNPPI-UHFFFAOYSA-N -1 1 258.329 1.951 20 0 CDADMM Cc1ccccc1[C@H](O)COc1cccnc1-c1nnn[n-]1 ZINC001609435212 1164945703 /nfs/dbraw/zinc/94/57/03/1164945703.db2.gz IMULGTRVBXOHRQ-GFCCVEGCSA-N -1 1 297.318 1.683 20 0 CDADMM Cc1ccccc1[C@H](O)COc1cccnc1-c1nn[n-]n1 ZINC001609435212 1164945707 /nfs/dbraw/zinc/94/57/07/1164945707.db2.gz IMULGTRVBXOHRQ-GFCCVEGCSA-N -1 1 297.318 1.683 20 0 CDADMM Cc1[nH]nc(NCc2ccccc2N(C)C)c1-c1nnn[n-]1 ZINC001609444793 1164950806 /nfs/dbraw/zinc/95/08/06/1164950806.db2.gz SNVKNJZGVHBWHW-UHFFFAOYSA-N -1 1 298.354 1.576 20 0 CDADMM Cc1[nH]nc(NCc2ccccc2N(C)C)c1-c1nn[n-]n1 ZINC001609444793 1164950812 /nfs/dbraw/zinc/95/08/12/1164950812.db2.gz SNVKNJZGVHBWHW-UHFFFAOYSA-N -1 1 298.354 1.576 20 0 CDADMM Cc1nnc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)s1 ZINC001609460814 1164958278 /nfs/dbraw/zinc/95/82/78/1164958278.db2.gz DXWIXFOJWSKZKM-UHFFFAOYSA-N -1 1 291.296 1.180 20 0 CDADMM Cc1nnc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)s1 ZINC001609460814 1164958283 /nfs/dbraw/zinc/95/82/83/1164958283.db2.gz DXWIXFOJWSKZKM-UHFFFAOYSA-N -1 1 291.296 1.180 20 0 CDADMM Cc1nsc(NC(=O)[C@H](F)C(C)C)c1-c1nnn[n-]1 ZINC001609465385 1164961973 /nfs/dbraw/zinc/96/19/73/1164961973.db2.gz SIOPKGXHHOTWNQ-SSDOTTSWSA-N -1 1 284.320 1.564 20 0 CDADMM Cc1nsc(NC(=O)[C@H](F)C(C)C)c1-c1nn[n-]n1 ZINC001609465385 1164961974 /nfs/dbraw/zinc/96/19/74/1164961974.db2.gz SIOPKGXHHOTWNQ-SSDOTTSWSA-N -1 1 284.320 1.564 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC(CC(F)F)C1 ZINC001609467224 1164964459 /nfs/dbraw/zinc/96/44/59/1164964459.db2.gz YQFBZRNAHSBYOI-UHFFFAOYSA-N -1 1 297.265 1.495 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC(CC(F)F)C1 ZINC001609467224 1164964464 /nfs/dbraw/zinc/96/44/64/1164964464.db2.gz YQFBZRNAHSBYOI-UHFFFAOYSA-N -1 1 297.265 1.495 20 0 CDADMM FC1(F)CCCC[C@H]1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001609486735 1164970205 /nfs/dbraw/zinc/97/02/05/1164970205.db2.gz YPAIHQWOFXGXRX-VIFPVBQESA-N -1 1 294.309 1.921 20 0 CDADMM FC1(F)CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001609486735 1164970212 /nfs/dbraw/zinc/97/02/12/1164970212.db2.gz YPAIHQWOFXGXRX-VIFPVBQESA-N -1 1 294.309 1.921 20 0 CDADMM O=C(NCC1CCCCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609545871 1164987146 /nfs/dbraw/zinc/98/71/46/1164987146.db2.gz ROKBABQHSNZHPC-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM O=C(NCC1CCCCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609545871 1164987151 /nfs/dbraw/zinc/98/71/51/1164987151.db2.gz ROKBABQHSNZHPC-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@@H]1C1CC1 ZINC001609582289 1164996372 /nfs/dbraw/zinc/99/63/72/1164996372.db2.gz UTOYIHOIZKFVLZ-MRVPVSSYSA-N -1 1 275.337 1.553 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@@H]1C1CC1 ZINC001609582289 1164996380 /nfs/dbraw/zinc/99/63/80/1164996380.db2.gz UTOYIHOIZKFVLZ-MRVPVSSYSA-N -1 1 275.337 1.553 20 0 CDADMM c1c[nH]c([C@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)n1 ZINC001609612615 1165007058 /nfs/dbraw/zinc/00/70/58/1165007058.db2.gz ZFCKSFXASVXPIA-SNVBAGLBSA-N -1 1 297.326 1.111 20 0 CDADMM c1c[nH]c([C@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)n1 ZINC001609612615 1165007060 /nfs/dbraw/zinc/00/70/60/1165007060.db2.gz ZFCKSFXASVXPIA-SNVBAGLBSA-N -1 1 297.326 1.111 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1N[C@@H]1CCO[C@H](C2CC2)C1 ZINC001609621260 1165017684 /nfs/dbraw/zinc/01/76/84/1165017684.db2.gz XWMCFWQKTNADMX-KOLCDFICSA-N -1 1 287.327 1.026 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1N[C@@H]1CCO[C@H](C2CC2)C1 ZINC001609621260 1165017689 /nfs/dbraw/zinc/01/76/89/1165017689.db2.gz XWMCFWQKTNADMX-KOLCDFICSA-N -1 1 287.327 1.026 20 0 CDADMM C[C@@H](N[C@H](C(=O)[O-])C1CC1)C(=O)NCc1ccc(F)cc1 ZINC001609773763 1165075064 /nfs/dbraw/zinc/07/50/64/1165075064.db2.gz IPPYQLJHSIKVSP-RNCFNFMXSA-N -1 1 294.326 1.283 20 0 CDADMM CCN(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCC(=O)[O-] ZINC001610002761 1165180805 /nfs/dbraw/zinc/18/08/05/1165180805.db2.gz MTELPZLPMLNQJO-NSHDSACASA-N -1 1 294.351 1.106 20 0 CDADMM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)c1cnc[nH]1 ZINC001610124188 1165224355 /nfs/dbraw/zinc/22/43/55/1165224355.db2.gz MSUSITOTLWKIDN-UHFFFAOYSA-N -1 1 289.291 1.145 20 0 CDADMM Cc1c(C(=O)[O-])cc(CN2CCCOC[C@@H]2C)n1C ZINC001610407917 1165309513 /nfs/dbraw/zinc/30/95/13/1165309513.db2.gz XOZSQNZHIZDBDC-JTQLQIEISA-N -1 1 266.341 1.643 20 0 CDADMM Cc1cc(C(=O)CN2CCC[C@H]2CC(=O)[O-])c(C)[nH]1 ZINC001610435252 1165314689 /nfs/dbraw/zinc/31/46/89/1165314689.db2.gz ZAGSCXARUOUNCO-NSHDSACASA-N -1 1 264.325 1.753 20 0 CDADMM O=C([O-])C[C@H]1CCCN1C(=O)c1cc(F)cc2nn[nH]c21 ZINC001610760996 1165433077 /nfs/dbraw/zinc/43/30/77/1165433077.db2.gz KRHKUAFTHRSPJT-MRVPVSSYSA-N -1 1 292.270 1.176 20 0 CDADMM O=C([O-])CC1CCN(CN2C(=O)[C@@H]3CCC[C@@H]32)CC1 ZINC001610762671 1165433166 /nfs/dbraw/zinc/43/31/66/1165433166.db2.gz GRXLGVIMOIEOBW-NEPJUHHUSA-N -1 1 266.341 1.142 20 0 CDADMM O=C([O-])c1ccc(C(=O)Nc2nc3ccc(F)cc3[nH]2)[nH]1 ZINC001610823832 1165454829 /nfs/dbraw/zinc/45/48/29/1165454829.db2.gz PLADMVAQVNQVPR-UHFFFAOYSA-N -1 1 288.238 1.981 20 0 CDADMM O=C([O-])c1ccoc1COC(=O)c1ccc2cncn2c1 ZINC001610881217 1165473283 /nfs/dbraw/zinc/47/32/83/1165473283.db2.gz SLENIWSIHZLZIB-UHFFFAOYSA-N -1 1 286.243 1.983 20 0 CDADMM O=CN1CCCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001610885323 1165474377 /nfs/dbraw/zinc/47/43/77/1165474377.db2.gz WFEYFLRIXTWJPW-CYBMUJFWSA-N -1 1 296.754 1.630 20 0 CDADMM O=C(NCCc1ncc[nH]1)c1ccc2ccc(O)cc2c1[O-] ZINC001617724227 1165606264 /nfs/dbraw/zinc/60/62/64/1165606264.db2.gz CLHVINAVVQPHSN-UHFFFAOYSA-N -1 1 297.314 1.947 20 0 CDADMM NC(=O)c1cccc([N-]S(=O)(=O)c2cccc(N)c2)c1 ZINC000040324116 1165949805 /nfs/dbraw/zinc/94/98/05/1165949805.db2.gz PHTGQLLWTZHSLB-UHFFFAOYSA-N -1 1 291.332 1.169 20 0 CDADMM CC[C@H](C)C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000095274295 1166614916 /nfs/dbraw/zinc/61/49/16/1166614916.db2.gz NERLIUNOAGUSGO-VIFPVBQESA-N -1 1 275.312 1.763 20 0 CDADMM CCN(c1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC000095280134 1166617714 /nfs/dbraw/zinc/61/77/14/1166617714.db2.gz HMPONAMVVZHGBL-UHFFFAOYSA-N -1 1 259.317 1.426 20 0 CDADMM CCN(c1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC000095280134 1166617717 /nfs/dbraw/zinc/61/77/17/1166617717.db2.gz HMPONAMVVZHGBL-UHFFFAOYSA-N -1 1 259.317 1.426 20 0 CDADMM C1=CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC000095337485 1166622384 /nfs/dbraw/zinc/62/23/84/1166622384.db2.gz LSQWHLMFVYISFC-VIFPVBQESA-N -1 1 257.301 1.425 20 0 CDADMM C1=CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC000095337485 1166622388 /nfs/dbraw/zinc/62/23/88/1166622388.db2.gz LSQWHLMFVYISFC-VIFPVBQESA-N -1 1 257.301 1.425 20 0 CDADMM NC(=O)[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000052076938 1166764542 /nfs/dbraw/zinc/76/45/42/1166764542.db2.gz JQLDXRNIGFVISH-JTQLQIEISA-N -1 1 282.727 1.526 20 0 CDADMM COc1cc(C(=O)Nc2c(C)[n-][nH]c2=O)ccc1F ZINC001637952748 1166807068 /nfs/dbraw/zinc/80/70/68/1166807068.db2.gz PSJZADLFIFVSCK-UHFFFAOYSA-N -1 1 265.244 1.824 20 0 CDADMM COc1c[nH]nc1NC(=O)c1ccc([O-])c(F)c1 ZINC001639580253 1166954351 /nfs/dbraw/zinc/95/43/51/1166954351.db2.gz PZDMQDJPPTZKBV-UHFFFAOYSA-N -1 1 251.217 1.515 20 0 CDADMM Cc1ccc(N2CCCC2)c(C(=O)N(C)c2nn[nH]n2)c1 ZINC001646203787 1167693823 /nfs/dbraw/zinc/69/38/23/1167693823.db2.gz ODCBJMLOOPAQOY-UHFFFAOYSA-N -1 1 286.339 1.385 20 0 CDADMM Cc1ccc(N2CCCC2)c(C(=O)N(C)c2nn[n-]n2)c1 ZINC001646203787 1167693826 /nfs/dbraw/zinc/69/38/26/1167693826.db2.gz ODCBJMLOOPAQOY-UHFFFAOYSA-N -1 1 286.339 1.385 20 0 CDADMM C[C@@H]1COCCN1C1CCN(c2nc(C(=O)[O-])co2)CC1 ZINC001646506193 1167885936 /nfs/dbraw/zinc/88/59/36/1167885936.db2.gz ZOIBENOMIFAICU-SNVBAGLBSA-N -1 1 295.339 1.062 20 0 CDADMM CN(Cc1cccc(O)c1)C(=O)c1ccc([O-])cn1 ZINC001566303406 1168257560 /nfs/dbraw/zinc/25/75/60/1168257560.db2.gz LOVNXUDMEDUUIM-UHFFFAOYSA-N -1 1 258.277 1.765 20 0 CDADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cnc(C2CC2)[nH]1 ZINC001649840136 1169420840 /nfs/dbraw/zinc/42/08/40/1169420840.db2.gz SNQNWTRHNCRXTC-PSASIEDQSA-N -1 1 277.324 1.612 20 0 CDADMM CC1(c2ccccc2)CC(NCc2nc(C(=O)[O-])n[nH]2)C1 ZINC001573625961 1170712192 /nfs/dbraw/zinc/71/21/92/1170712192.db2.gz MJISWYGMRQCEGF-UHFFFAOYSA-N -1 1 286.335 1.713 20 0 CDADMM CNc1ccccc1C[NH2+][C@@H](C)c1nc(C(=O)[O-])n[n-]1 ZINC001573910097 1170824828 /nfs/dbraw/zinc/82/48/28/1170824828.db2.gz HUOZPSQXZQRTGY-QMMMGPOBSA-N -1 1 275.312 1.395 20 0 CDADMM CC(C)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001574296385 1170943419 /nfs/dbraw/zinc/94/34/19/1170943419.db2.gz HBUAQTUFHVBMAV-UHFFFAOYSA-N -1 1 266.692 1.053 20 0 CDADMM CCn1cc([C@@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccn2)cn1 ZINC001578753719 1171994331 /nfs/dbraw/zinc/99/43/31/1171994331.db2.gz NUTLABWRNKOWOO-SNVBAGLBSA-N -1 1 298.354 1.329 20 0 CDADMM Fc1ccc(CNc2ncncc2-c2nn[n-]n2)cc1F ZINC001581854128 1172624798 /nfs/dbraw/zinc/62/47/98/1172624798.db2.gz JYYGIFUPFMONNL-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM Cc1cc(C)n(-c2ccc(C(=O)N(C)c3nn[n-]n3)cc2)n1 ZINC001587340050 1172628450 /nfs/dbraw/zinc/62/84/50/1172628450.db2.gz ZAUGEUAMPHVSDT-UHFFFAOYSA-N -1 1 297.322 1.279 20 0 CDADMM C[C@@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1)c1ccco1 ZINC001588943643 1173116390 /nfs/dbraw/zinc/11/63/90/1173116390.db2.gz XIUOWCFSRCTGOR-SECBINFHSA-N -1 1 298.306 1.621 20 0 CDADMM C[C@@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1)c1ccco1 ZINC001588943643 1173116396 /nfs/dbraw/zinc/11/63/96/1173116396.db2.gz XIUOWCFSRCTGOR-SECBINFHSA-N -1 1 298.306 1.621 20 0 CDADMM CC(C)[C@H]1C[C@H]1COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589502686 1173150260 /nfs/dbraw/zinc/15/02/60/1173150260.db2.gz PWBDEGFDKBEPSN-VHSXEESVSA-N -1 1 287.323 1.711 20 0 CDADMM CC(C)[C@H]1C[C@H]1COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589502686 1173150267 /nfs/dbraw/zinc/15/02/67/1173150267.db2.gz PWBDEGFDKBEPSN-VHSXEESVSA-N -1 1 287.323 1.711 20 0 CDADMM CC(C)C[C@H](O)CNc1cccnc1-c1nnn[n-]1 ZINC001589563468 1173157994 /nfs/dbraw/zinc/15/79/94/1173157994.db2.gz FJOPMVNJUBIXQX-VIFPVBQESA-N -1 1 262.317 1.081 20 0 CDADMM CC(C)C[C@H](O)CNc1cccnc1-c1nn[n-]n1 ZINC001589563468 1173157997 /nfs/dbraw/zinc/15/79/97/1173157997.db2.gz FJOPMVNJUBIXQX-VIFPVBQESA-N -1 1 262.317 1.081 20 0 CDADMM CC(F)(F)CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589910616 1173202656 /nfs/dbraw/zinc/20/26/56/1173202656.db2.gz SSAGGESIAHHRBX-UHFFFAOYSA-N -1 1 287.295 1.703 20 0 CDADMM CC(F)(F)CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589910616 1173202664 /nfs/dbraw/zinc/20/26/64/1173202664.db2.gz SSAGGESIAHHRBX-UHFFFAOYSA-N -1 1 287.295 1.703 20 0 CDADMM C[C@@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccccn1 ZINC001589946837 1173209140 /nfs/dbraw/zinc/20/91/40/1173209140.db2.gz LYHMBZKZVJRCFL-SECBINFHSA-N -1 1 295.306 1.148 20 0 CDADMM C[C@@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccccn1 ZINC001589946837 1173209143 /nfs/dbraw/zinc/20/91/43/1173209143.db2.gz LYHMBZKZVJRCFL-SECBINFHSA-N -1 1 295.306 1.148 20 0 CDADMM C[C@@H](c1ccccc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001590048152 1173239051 /nfs/dbraw/zinc/23/90/51/1173239051.db2.gz CEHIHLZJZSIFSF-JTQLQIEISA-N -1 1 281.323 1.854 20 0 CDADMM CC1(CNC(=O)c2cccc(-c3nnn[n-]3)n2)CCCC1 ZINC001590131615 1173268226 /nfs/dbraw/zinc/26/82/26/1173268226.db2.gz ABPGMBHBRJWASC-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM CC1(CNC(=O)c2cccc(-c3nn[n-]n3)n2)CCCC1 ZINC001590131615 1173268229 /nfs/dbraw/zinc/26/82/29/1173268229.db2.gz ABPGMBHBRJWASC-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM C[C@]1(COC(=O)c2cccc(-c3nnn[n-]3)n2)CC1(F)F ZINC001590137436 1173268781 /nfs/dbraw/zinc/26/87/81/1173268781.db2.gz YRCWPWYJTZNYBF-LLVKDONJSA-N -1 1 295.249 1.464 20 0 CDADMM C[C@]1(COC(=O)c2cccc(-c3nn[n-]n3)n2)CC1(F)F ZINC001590137436 1173268783 /nfs/dbraw/zinc/26/87/83/1173268783.db2.gz YRCWPWYJTZNYBF-LLVKDONJSA-N -1 1 295.249 1.464 20 0 CDADMM C[C@H]1C[C@H](C)N1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590188263 1173285165 /nfs/dbraw/zinc/28/51/65/1173285165.db2.gz CDKZAEZOEBVTKC-YUMQZZPRSA-N -1 1 273.300 1.276 20 0 CDADMM C[C@H]1C[C@H](C)N1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590188263 1173285166 /nfs/dbraw/zinc/28/51/66/1173285166.db2.gz CDKZAEZOEBVTKC-YUMQZZPRSA-N -1 1 273.300 1.276 20 0 CDADMM C[C@H]1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001590239848 1173311936 /nfs/dbraw/zinc/31/19/36/1173311936.db2.gz ORVCARBORGQEIF-IINYFYTJSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@H]1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001590239848 1173311943 /nfs/dbraw/zinc/31/19/43/1173311943.db2.gz ORVCARBORGQEIF-IINYFYTJSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@H]1CC[C@@H]1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590242246 1173312679 /nfs/dbraw/zinc/31/26/79/1173312679.db2.gz URWUXERXSHQKAB-XVKPBYJWSA-N -1 1 275.287 1.534 20 0 CDADMM C[C@H]1CC[C@@H]1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590242246 1173312687 /nfs/dbraw/zinc/31/26/87/1173312687.db2.gz URWUXERXSHQKAB-XVKPBYJWSA-N -1 1 275.287 1.534 20 0 CDADMM C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590255105 1173322818 /nfs/dbraw/zinc/32/28/18/1173322818.db2.gz QHXQSYYGAANFDK-ZJUUUORDSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590255105 1173322826 /nfs/dbraw/zinc/32/28/26/1173322826.db2.gz QHXQSYYGAANFDK-ZJUUUORDSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC001590301090 1173340093 /nfs/dbraw/zinc/34/00/93/1173340093.db2.gz QMVQHQCRIOSTND-QMMMGPOBSA-N -1 1 275.312 1.720 20 0 CDADMM C[C@@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001590301090 1173340095 /nfs/dbraw/zinc/34/00/95/1173340095.db2.gz QMVQHQCRIOSTND-QMMMGPOBSA-N -1 1 275.312 1.720 20 0 CDADMM C[C@H]1CN(c2cc(-c3nnn[n-]3)ncn2)CC(C)(C)C1 ZINC001590314193 1173352254 /nfs/dbraw/zinc/35/22/54/1173352254.db2.gz QRILTWYNXSASEA-SECBINFHSA-N -1 1 273.344 1.529 20 0 CDADMM C[C@H]1CN(c2cc(-c3nn[n-]n3)ncn2)CC(C)(C)C1 ZINC001590314193 1173352261 /nfs/dbraw/zinc/35/22/61/1173352261.db2.gz QRILTWYNXSASEA-SECBINFHSA-N -1 1 273.344 1.529 20 0 CDADMM C[C@@H]1OCC[C@H]1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590339788 1173363112 /nfs/dbraw/zinc/36/31/12/1173363112.db2.gz WLNPKQUBBAHRFP-YUMQZZPRSA-N -1 1 294.336 1.510 20 0 CDADMM C[C@@H]1OCC[C@H]1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590339788 1173363120 /nfs/dbraw/zinc/36/31/20/1173363120.db2.gz WLNPKQUBBAHRFP-YUMQZZPRSA-N -1 1 294.336 1.510 20 0 CDADMM C/C=C/C[C@H](CO)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001590351462 1173367872 /nfs/dbraw/zinc/36/78/72/1173367872.db2.gz FTTIHGKHXGWTMS-UFUPEUMYSA-N -1 1 294.746 1.654 20 0 CDADMM C/C=C/C[C@H](CO)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001590351462 1173367878 /nfs/dbraw/zinc/36/78/78/1173367878.db2.gz FTTIHGKHXGWTMS-UFUPEUMYSA-N -1 1 294.746 1.654 20 0 CDADMM CCC(C)(C)CC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590375836 1173379199 /nfs/dbraw/zinc/37/91/99/1173379199.db2.gz UHTQGOCHRMJJDT-UHFFFAOYSA-N -1 1 263.305 1.355 20 0 CDADMM CC[C@](C)(CNc1nc(C)cc(-c2nnn[n-]2)n1)OC ZINC001590382845 1173384081 /nfs/dbraw/zinc/38/40/81/1173384081.db2.gz VYDTXOQZXKWIAV-GFCCVEGCSA-N -1 1 277.332 1.192 20 0 CDADMM CC[C@](C)(CNc1nc(C)cc(-c2nn[n-]n2)n1)OC ZINC001590382845 1173384086 /nfs/dbraw/zinc/38/40/86/1173384086.db2.gz VYDTXOQZXKWIAV-GFCCVEGCSA-N -1 1 277.332 1.192 20 0 CDADMM CC[C@](C)(NC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001590381049 1173384099 /nfs/dbraw/zinc/38/40/99/1173384099.db2.gz BQGKFDYABFJLBH-AWEZNQCLSA-N -1 1 286.339 1.570 20 0 CDADMM CC[C@](C)(NC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001590381049 1173384107 /nfs/dbraw/zinc/38/41/07/1173384107.db2.gz BQGKFDYABFJLBH-AWEZNQCLSA-N -1 1 286.339 1.570 20 0 CDADMM CC[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1noc(C)n1 ZINC001590473076 1173424203 /nfs/dbraw/zinc/42/42/03/1173424203.db2.gz KJOCJPGZDVSCNY-QMMMGPOBSA-N -1 1 286.299 1.516 20 0 CDADMM CC[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1noc(C)n1 ZINC001590473076 1173424209 /nfs/dbraw/zinc/42/42/09/1173424209.db2.gz KJOCJPGZDVSCNY-QMMMGPOBSA-N -1 1 286.299 1.516 20 0 CDADMM CC[C@@H](OC)C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001590478107 1173429385 /nfs/dbraw/zinc/42/93/85/1173429385.db2.gz FHOKCWOXIRVBQT-MRVPVSSYSA-N -1 1 282.325 1.396 20 0 CDADMM CCCCn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2=O ZINC001590617213 1173475437 /nfs/dbraw/zinc/47/54/37/1173475437.db2.gz XEQRWVFYAXQAOU-UHFFFAOYSA-N -1 1 287.323 1.348 20 0 CDADMM CCOCCOC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590815026 1173520280 /nfs/dbraw/zinc/52/02/80/1173520280.db2.gz OEFNHFHDZKFGJD-UHFFFAOYSA-N -1 1 280.259 1.199 20 0 CDADMM CCOCCOC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590815026 1173520285 /nfs/dbraw/zinc/52/02/85/1173520285.db2.gz OEFNHFHDZKFGJD-UHFFFAOYSA-N -1 1 280.259 1.199 20 0 CDADMM CCO[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590820072 1173521203 /nfs/dbraw/zinc/52/12/03/1173521203.db2.gz YPBIFUVACVLPNY-DGCLKSJQSA-N -1 1 288.355 1.443 20 0 CDADMM CCO[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590820072 1173521208 /nfs/dbraw/zinc/52/12/08/1173521208.db2.gz YPBIFUVACVLPNY-DGCLKSJQSA-N -1 1 288.355 1.443 20 0 CDADMM CCc1cccc(Cn2ccn3ncc(-c4nn[n-]n4)c23)c1 ZINC001590895085 1173537356 /nfs/dbraw/zinc/53/73/56/1173537356.db2.gz YDALSWZPUDDCKP-UHFFFAOYSA-N -1 1 293.334 1.927 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@](C)(F)C2)n1 ZINC001590906476 1173538626 /nfs/dbraw/zinc/53/86/26/1173538626.db2.gz MMQQXVBISFCFGC-ZDUSSCGKSA-N -1 1 291.334 1.548 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@](C)(F)C2)n1 ZINC001590906476 1173538628 /nfs/dbraw/zinc/53/86/28/1173538628.db2.gz MMQQXVBISFCFGC-ZDUSSCGKSA-N -1 1 291.334 1.548 20 0 CDADMM CCc1nc(N[C@H]2CC[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001590917777 1173541402 /nfs/dbraw/zinc/54/14/02/1173541402.db2.gz YEEIBVHDNKSENQ-IUCAKERBSA-N -1 1 273.344 1.820 20 0 CDADMM CCc1nc(N[C@H]2CC[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001590917777 1173541404 /nfs/dbraw/zinc/54/14/04/1173541404.db2.gz YEEIBVHDNKSENQ-IUCAKERBSA-N -1 1 273.344 1.820 20 0 CDADMM CCc1nc(N[C@H](CC)c2ncc[nH]2)cc(-c2nnn[n-]2)n1 ZINC001590917402 1173541413 /nfs/dbraw/zinc/54/14/13/1173541413.db2.gz UTWOPSOGDYHYOS-MRVPVSSYSA-N -1 1 299.342 1.505 20 0 CDADMM CCc1nc(N[C@H](CC)c2ncc[nH]2)cc(-c2nn[n-]n2)n1 ZINC001590917402 1173541415 /nfs/dbraw/zinc/54/14/15/1173541415.db2.gz UTWOPSOGDYHYOS-MRVPVSSYSA-N -1 1 299.342 1.505 20 0 CDADMM CCc1nc(NC[C@H]2CC=CCC2)cc(-c2nnn[n-]2)n1 ZINC001590918043 1173544454 /nfs/dbraw/zinc/54/44/54/1173544454.db2.gz MZOYNBQMQCRUEJ-JTQLQIEISA-N -1 1 285.355 1.987 20 0 CDADMM CCc1nc(NC[C@H]2CC=CCC2)cc(-c2nn[n-]n2)n1 ZINC001590918043 1173544460 /nfs/dbraw/zinc/54/44/60/1173544460.db2.gz MZOYNBQMQCRUEJ-JTQLQIEISA-N -1 1 285.355 1.987 20 0 CDADMM CN(C)c1cncc(NC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001591034395 1173563766 /nfs/dbraw/zinc/56/37/66/1173563766.db2.gz TZSNAEDUQWDGAE-UHFFFAOYSA-N -1 1 299.294 1.173 20 0 CDADMM CN(C)c1cncc(NC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001591034395 1173563768 /nfs/dbraw/zinc/56/37/68/1173563768.db2.gz TZSNAEDUQWDGAE-UHFFFAOYSA-N -1 1 299.294 1.173 20 0 CDADMM CN(Cc1cccc(O)c1)c1ccnc(-c2nnn[n-]2)c1 ZINC001591147392 1173577503 /nfs/dbraw/zinc/57/75/03/1173577503.db2.gz HBYAXDJUEZPBGL-UHFFFAOYSA-N -1 1 282.307 1.604 20 0 CDADMM CN(Cc1cccc(O)c1)c1ccnc(-c2nn[n-]n2)c1 ZINC001591147392 1173577516 /nfs/dbraw/zinc/57/75/16/1173577516.db2.gz HBYAXDJUEZPBGL-UHFFFAOYSA-N -1 1 282.307 1.604 20 0 CDADMM CO[C@](C)(CNc1ccc(C)c(-c2nnn[n-]2)n1)C1CC1 ZINC001591316781 1173603672 /nfs/dbraw/zinc/60/36/72/1173603672.db2.gz BMAQZWXDMRAJFJ-CQSZACIVSA-N -1 1 288.355 1.797 20 0 CDADMM CO[C@](C)(CNc1ccc(C)c(-c2nn[n-]n2)n1)C1CC1 ZINC001591316781 1173603677 /nfs/dbraw/zinc/60/36/77/1173603677.db2.gz BMAQZWXDMRAJFJ-CQSZACIVSA-N -1 1 288.355 1.797 20 0 CDADMM COC(CSc1cccc(F)c1-c1nn[n-]n1)OC ZINC001591333392 1173614997 /nfs/dbraw/zinc/61/49/97/1173614997.db2.gz KVERKNUQEBGJDA-UHFFFAOYSA-N -1 1 284.316 1.717 20 0 CDADMM CO[C@@H]1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001591349996 1173621762 /nfs/dbraw/zinc/62/17/62/1173621762.db2.gz CKSHZEMQMBFUMP-HTQZYQBOSA-N -1 1 280.357 1.611 20 0 CDADMM CO[C@H]1C[C@H](Nc2cc(C)cc(-c3nnn[n-]3)n2)C1(C)C ZINC001591351158 1173622692 /nfs/dbraw/zinc/62/26/92/1173622692.db2.gz YQQRUXQKFIPSOR-QWRGUYRKSA-N -1 1 288.355 1.796 20 0 CDADMM CO[C@H]1C[C@H](Nc2cc(C)cc(-c3nn[n-]n3)n2)C1(C)C ZINC001591351158 1173622697 /nfs/dbraw/zinc/62/26/97/1173622697.db2.gz YQQRUXQKFIPSOR-QWRGUYRKSA-N -1 1 288.355 1.796 20 0 CDADMM CO[C@@H]1CC[C@H](C)N(c2cc(C)nc(-c3nnn[n-]3)c2)C1 ZINC001591348526 1173623066 /nfs/dbraw/zinc/62/30/66/1173623066.db2.gz VDQNPGQOQDJEJW-CMPLNLGQSA-N -1 1 288.355 1.574 20 0 CDADMM CO[C@@H]1CC[C@H](C)N(c2cc(C)nc(-c3nn[n-]n3)c2)C1 ZINC001591348526 1173623071 /nfs/dbraw/zinc/62/30/71/1173623071.db2.gz VDQNPGQOQDJEJW-CMPLNLGQSA-N -1 1 288.355 1.574 20 0 CDADMM COCC1(C2CC2)CN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001591385130 1173638902 /nfs/dbraw/zinc/63/89/02/1173638902.db2.gz FWGHTMPSFAUEBH-UHFFFAOYSA-N -1 1 286.339 1.125 20 0 CDADMM COCC1(C2CC2)CN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001591385130 1173638909 /nfs/dbraw/zinc/63/89/09/1173638909.db2.gz FWGHTMPSFAUEBH-UHFFFAOYSA-N -1 1 286.339 1.125 20 0 CDADMM CO[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001591469236 1173655546 /nfs/dbraw/zinc/65/55/46/1173655546.db2.gz MGAGSQLKJPWNBK-RXMQYKEDSA-N -1 1 286.748 1.202 20 0 CDADMM CO[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001591469236 1173655552 /nfs/dbraw/zinc/65/55/52/1173655552.db2.gz MGAGSQLKJPWNBK-RXMQYKEDSA-N -1 1 286.748 1.202 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](C(C)C)C2)n1 ZINC001591885557 1173739622 /nfs/dbraw/zinc/73/96/22/1173739622.db2.gz SIBXCXQTSVLPDG-JTQLQIEISA-N -1 1 273.344 1.447 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](C(C)C)C2)n1 ZINC001591885557 1173739626 /nfs/dbraw/zinc/73/96/26/1173739626.db2.gz SIBXCXQTSVLPDG-JTQLQIEISA-N -1 1 273.344 1.447 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(Nc2cnn(C)c2C2CC2)n1 ZINC001591903045 1173743343 /nfs/dbraw/zinc/74/33/43/1173743343.db2.gz FYAYAQXKXJXBSW-UHFFFAOYSA-N -1 1 297.326 1.320 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(Nc2cnn(C)c2C2CC2)n1 ZINC001591903045 1173743348 /nfs/dbraw/zinc/74/33/48/1173743348.db2.gz FYAYAQXKXJXBSW-UHFFFAOYSA-N -1 1 297.326 1.320 20 0 CDADMM Cc1cc(N(C)CC2CCOCC2)cc(-c2nnn[n-]2)n1 ZINC001591996005 1173768132 /nfs/dbraw/zinc/76/81/32/1173768132.db2.gz SFESPHVXUHYVJI-UHFFFAOYSA-N -1 1 288.355 1.433 20 0 CDADMM Cc1cc(N(C)CC2CCOCC2)cc(-c2nn[n-]n2)n1 ZINC001591996005 1173768134 /nfs/dbraw/zinc/76/81/34/1173768134.db2.gz SFESPHVXUHYVJI-UHFFFAOYSA-N -1 1 288.355 1.433 20 0 CDADMM Cc1cc(NC[C@@H]2CC(C)(C)CO2)nc(-c2nnn[n-]2)c1 ZINC001592044046 1173784263 /nfs/dbraw/zinc/78/42/63/1173784263.db2.gz LTTPFKACNOFOCD-JTQLQIEISA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(NC[C@@H]2CC(C)(C)CO2)nc(-c2nn[n-]n2)c1 ZINC001592044046 1173784267 /nfs/dbraw/zinc/78/42/67/1173784267.db2.gz LTTPFKACNOFOCD-JTQLQIEISA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)o2)nc1 ZINC001592151494 1173811547 /nfs/dbraw/zinc/81/15/47/1173811547.db2.gz PVTPKERPJZAXFF-UHFFFAOYSA-N -1 1 298.306 1.435 20 0 CDADMM Cc1ccc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)o2)nc1 ZINC001592151494 1173811549 /nfs/dbraw/zinc/81/15/49/1173811549.db2.gz PVTPKERPJZAXFF-UHFFFAOYSA-N -1 1 298.306 1.435 20 0 CDADMM Cc1ccc(F)cc1Oc1ccnc(-c2nn[n-]n2)n1 ZINC001592173281 1173820587 /nfs/dbraw/zinc/82/05/87/1173820587.db2.gz IFDDWNIXVIQUTQ-UHFFFAOYSA-N -1 1 272.243 1.897 20 0 CDADMM Cc1ccc2ncc(Cn3ccnc3-c3nnn[n-]3)cc2c1 ZINC001592210111 1173834499 /nfs/dbraw/zinc/83/44/99/1173834499.db2.gz OANRXAQXNXCHRA-UHFFFAOYSA-N -1 1 291.318 1.968 20 0 CDADMM Cc1ccc2ncc(Cn3ccnc3-c3nn[n-]n3)cc2c1 ZINC001592210111 1173834504 /nfs/dbraw/zinc/83/45/04/1173834504.db2.gz OANRXAQXNXCHRA-UHFFFAOYSA-N -1 1 291.318 1.968 20 0 CDADMM Cc1ccn(CC(=O)C2CCCC2)c(=O)c1-c1nn[n-]n1 ZINC001592265444 1173839537 /nfs/dbraw/zinc/83/95/37/1173839537.db2.gz ZOXOASAFCBHTLJ-UHFFFAOYSA-N -1 1 287.323 1.096 20 0 CDADMM Cc1ccoc1CNc1ncncc1-c1nn[n-]n1 ZINC001592283241 1173847413 /nfs/dbraw/zinc/84/74/13/1173847413.db2.gz GHYCSMKYTCWUMW-UHFFFAOYSA-N -1 1 257.257 1.170 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC001592338028 1173860158 /nfs/dbraw/zinc/86/01/58/1173860158.db2.gz SQGIXOCDWYQUIM-NWDGAFQWSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC001592338028 1173860161 /nfs/dbraw/zinc/86/01/61/1173860161.db2.gz SQGIXOCDWYQUIM-NWDGAFQWSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC(c3ccccc3)C2)n1 ZINC001592338309 1173860281 /nfs/dbraw/zinc/86/02/81/1173860281.db2.gz YKFWZQRWWCYLAC-UHFFFAOYSA-N -1 1 293.334 1.569 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC(c3ccccc3)C2)n1 ZINC001592338309 1173860286 /nfs/dbraw/zinc/86/02/86/1173860286.db2.gz YKFWZQRWWCYLAC-UHFFFAOYSA-N -1 1 293.334 1.569 20 0 CDADMM Cc1nc(-c2nn[nH]n2)c(-n2[n-]c3c(c2=O)CCCC3)o1 ZINC001592336988 1173860552 /nfs/dbraw/zinc/86/05/52/1173860552.db2.gz LDOXXSDXBPNXBO-ZETCQYMHSA-N -1 1 287.283 1.056 20 0 CDADMM Cc1nc(NC[C@H](O)CC(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001592386189 1173875529 /nfs/dbraw/zinc/87/55/29/1173875529.db2.gz QXEYRHWOHZVMEO-SECBINFHSA-N -1 1 291.359 1.174 20 0 CDADMM Cc1nc(NC[C@H](O)CC(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001592386189 1173875536 /nfs/dbraw/zinc/87/55/36/1173875536.db2.gz QXEYRHWOHZVMEO-SECBINFHSA-N -1 1 291.359 1.174 20 0 CDADMM Cc1nc(NC[C@]2(C)CCCS2)cc(-c2nnn[n-]2)n1 ZINC001592386701 1173877351 /nfs/dbraw/zinc/87/73/51/1173877351.db2.gz ZLVNIXLNPPDVOC-LBPRGKRZSA-N -1 1 291.384 1.663 20 0 CDADMM Cc1nc(Nc2ccc3c(c2)COC3)cc(-c2nnn[n-]2)n1 ZINC001592398463 1173882676 /nfs/dbraw/zinc/88/26/76/1173882676.db2.gz DQVGMZYNVWXOOF-UHFFFAOYSA-N -1 1 295.306 1.739 20 0 CDADMM Cc1nc(Nc2ccc3c(c2)COC3)cc(-c2nn[n-]n2)n1 ZINC001592398463 1173882678 /nfs/dbraw/zinc/88/26/78/1173882678.db2.gz DQVGMZYNVWXOOF-UHFFFAOYSA-N -1 1 295.306 1.739 20 0 CDADMM Cc1ncc(COC(=O)c2csc(-c3nnn[n-]3)c2)o1 ZINC001592410584 1173882798 /nfs/dbraw/zinc/88/27/98/1173882798.db2.gz UUQWJPNFPHUACG-UHFFFAOYSA-N -1 1 291.292 1.582 20 0 CDADMM Cc1ncc(COC(=O)c2csc(-c3nn[n-]n3)c2)o1 ZINC001592410584 1173882800 /nfs/dbraw/zinc/88/28/00/1173882800.db2.gz UUQWJPNFPHUACG-UHFFFAOYSA-N -1 1 291.292 1.582 20 0 CDADMM Cc1nsc(N[C@@H]2CO[C@@H](C3CC3)C2)c1-c1nn[n-]n1 ZINC001592486972 1173902010 /nfs/dbraw/zinc/90/20/10/1173902010.db2.gz WRGKQKIZNBMVHA-DTWKUNHWSA-N -1 1 292.368 1.611 20 0 CDADMM Cc1nsc(S[C@H]2CCO[C@@H]2C)c1-c1nnn[n-]1 ZINC001592494107 1173905168 /nfs/dbraw/zinc/90/51/68/1173905168.db2.gz BZXKTOKYSIMOCU-RQJHMYQMSA-N -1 1 283.382 1.901 20 0 CDADMM Cc1nsc(S[C@H]2CCO[C@@H]2C)c1-c1nn[n-]n1 ZINC001592494107 1173905174 /nfs/dbraw/zinc/90/51/74/1173905174.db2.gz BZXKTOKYSIMOCU-RQJHMYQMSA-N -1 1 283.382 1.901 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC1CCC=CCC1 ZINC001592498690 1173905750 /nfs/dbraw/zinc/90/57/50/1173905750.db2.gz DCLYFNOPFVLIMY-UHFFFAOYSA-N -1 1 287.323 1.997 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC1CCC=CCC1 ZINC001592498690 1173905756 /nfs/dbraw/zinc/90/57/56/1173905756.db2.gz DCLYFNOPFVLIMY-UHFFFAOYSA-N -1 1 287.323 1.997 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@H]1CC[C@H](C)O1 ZINC001592500718 1173908813 /nfs/dbraw/zinc/90/88/13/1173908813.db2.gz BNXSQEXJRMDLOB-CBAPKCEASA-N -1 1 291.311 1.065 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@H]1CC[C@H](C)O1 ZINC001592500718 1173908816 /nfs/dbraw/zinc/90/88/16/1173908816.db2.gz BNXSQEXJRMDLOB-CBAPKCEASA-N -1 1 291.311 1.065 20 0 CDADMM Cc1scc(CNc2cncc(-c3nnn[n-]3)n2)c1C ZINC001592520582 1173910970 /nfs/dbraw/zinc/91/09/70/1173910970.db2.gz HZOMIWHYRXVRRM-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1scc(CNc2cncc(-c3nn[n-]n3)n2)c1C ZINC001592520582 1173910972 /nfs/dbraw/zinc/91/09/72/1173910972.db2.gz HZOMIWHYRXVRRM-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM ClC1(Cl)C[C@@H]1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001592524838 1173911129 /nfs/dbraw/zinc/91/11/29/1173911129.db2.gz VRGDSYQYZVPTTK-RXMQYKEDSA-N -1 1 286.126 1.262 20 0 CDADMM ClC1(Cl)C[C@@H]1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001592524838 1173911134 /nfs/dbraw/zinc/91/11/34/1173911134.db2.gz VRGDSYQYZVPTTK-RXMQYKEDSA-N -1 1 286.126 1.262 20 0 CDADMM Clc1ccc2c(c1)CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001592533715 1173912721 /nfs/dbraw/zinc/91/27/21/1173912721.db2.gz QIIKGGWJVDGWPC-UHFFFAOYSA-N -1 1 299.725 1.830 20 0 CDADMM Clc1ccc2c(c1)CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001592533715 1173912724 /nfs/dbraw/zinc/91/27/24/1173912724.db2.gz QIIKGGWJVDGWPC-UHFFFAOYSA-N -1 1 299.725 1.830 20 0 CDADMM Clc1cccc(Cn2cc(-c3nn[n-]n3)nn2)c1Cl ZINC001592534707 1173913475 /nfs/dbraw/zinc/91/34/75/1173913475.db2.gz RYEJYJILLXFURN-UHFFFAOYSA-N -1 1 296.121 1.813 20 0 CDADMM Cn1ncc(NC(=O)c2coc(-c3nnn[n-]3)c2)c1C1CC1 ZINC001592602295 1173926125 /nfs/dbraw/zinc/92/61/25/1173926125.db2.gz MUBXSHQJOQMIDC-UHFFFAOYSA-N -1 1 299.294 1.323 20 0 CDADMM Cn1ncc(NC(=O)c2coc(-c3nn[n-]n3)c2)c1C1CC1 ZINC001592602295 1173926134 /nfs/dbraw/zinc/92/61/34/1173926134.db2.gz MUBXSHQJOQMIDC-UHFFFAOYSA-N -1 1 299.294 1.323 20 0 CDADMM Cn1ncnc1Sc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001592608162 1173926298 /nfs/dbraw/zinc/92/62/98/1173926298.db2.gz LJWSLHKWYRVQCC-UHFFFAOYSA-N -1 1 294.731 1.195 20 0 CDADMM Cn1ncnc1Sc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001592608162 1173926301 /nfs/dbraw/zinc/92/63/01/1173926301.db2.gz LJWSLHKWYRVQCC-UHFFFAOYSA-N -1 1 294.731 1.195 20 0 CDADMM Cn1nccc1[C@H]1CCCN1c1cccnc1-c1nnn[n-]1 ZINC001592605958 1173928076 /nfs/dbraw/zinc/92/80/76/1173928076.db2.gz COHKOPOCWNUZKF-LLVKDONJSA-N -1 1 296.338 1.337 20 0 CDADMM Cn1nccc1[C@H]1CCCN1c1cccnc1-c1nn[n-]n1 ZINC001592605958 1173928082 /nfs/dbraw/zinc/92/80/82/1173928082.db2.gz COHKOPOCWNUZKF-LLVKDONJSA-N -1 1 296.338 1.337 20 0 CDADMM FC(F)(F)CCCNc1cc(-c2nnn[n-]2)ncn1 ZINC001592615279 1173931310 /nfs/dbraw/zinc/93/13/10/1173931310.db2.gz HWNHWZFQMZCMLX-UHFFFAOYSA-N -1 1 273.222 1.411 20 0 CDADMM FC(F)(F)CCCNc1cc(-c2nn[n-]n2)ncn1 ZINC001592615279 1173931313 /nfs/dbraw/zinc/93/13/13/1173931313.db2.gz HWNHWZFQMZCMLX-UHFFFAOYSA-N -1 1 273.222 1.411 20 0 CDADMM Fc1ccc(Oc2ccnc(C3CC3)n2)c(-c2nn[n-]n2)n1 ZINC001592652440 1173952488 /nfs/dbraw/zinc/95/24/88/1173952488.db2.gz JZPWUQNALMGTDR-UHFFFAOYSA-N -1 1 299.269 1.861 20 0 CDADMM Fc1ccc(Oc2nccs2)c(-c2nn[n-]n2)n1 ZINC001592652837 1173954625 /nfs/dbraw/zinc/95/46/25/1173954625.db2.gz VUXYUEYDUHEOMR-UHFFFAOYSA-N -1 1 264.245 1.650 20 0 CDADMM Fc1cncc(Oc2ncccc2-c2nn[n-]n2)c1 ZINC001592661802 1173958514 /nfs/dbraw/zinc/95/85/14/1173958514.db2.gz ZTVLBNJQPWFGRW-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C1=CCCCCC1 ZINC001592754055 1173985648 /nfs/dbraw/zinc/98/56/48/1173985648.db2.gz LLJLTTPSQKZJEC-UHFFFAOYSA-N -1 1 273.300 1.176 20 0 CDADMM O=C(CSC1CC1)OCc1nc(-c2nnn[n-]2)cs1 ZINC001592901759 1174000470 /nfs/dbraw/zinc/00/04/70/1174000470.db2.gz MQENOSYTOQHWFO-UHFFFAOYSA-N -1 1 297.365 1.262 20 0 CDADMM O=C(N[C@H]1CC=CCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001592973410 1174009841 /nfs/dbraw/zinc/00/98/41/1174009841.db2.gz WDTPARKXXSICAU-QMMMGPOBSA-N -1 1 259.269 1.298 20 0 CDADMM O=C(N[C@H]1CC=CCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001592973410 1174009846 /nfs/dbraw/zinc/00/98/46/1174009846.db2.gz WDTPARKXXSICAU-QMMMGPOBSA-N -1 1 259.269 1.298 20 0 CDADMM O=C(NCC1CC(F)(F)C1)c1ccc(-c2nnn[n-]2)o1 ZINC001593022495 1174014066 /nfs/dbraw/zinc/01/40/66/1174014066.db2.gz HYSWHAOIWQGXBR-UHFFFAOYSA-N -1 1 283.238 1.235 20 0 CDADMM O=C(NCC1CC(F)(F)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001593022495 1174014074 /nfs/dbraw/zinc/01/40/74/1174014074.db2.gz HYSWHAOIWQGXBR-UHFFFAOYSA-N -1 1 283.238 1.235 20 0 CDADMM O=C(NC/C=C/c1ccccc1)c1ccc(-c2nnn[n-]2)o1 ZINC001593055331 1174017066 /nfs/dbraw/zinc/01/70/66/1174017066.db2.gz LNNHCNWSMHKNAI-QPJJXVBHSA-N -1 1 295.302 1.903 20 0 CDADMM O=C(NC/C=C/c1ccccc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593055331 1174017072 /nfs/dbraw/zinc/01/70/72/1174017072.db2.gz LNNHCNWSMHKNAI-QPJJXVBHSA-N -1 1 295.302 1.903 20 0 CDADMM O=C(NC/C=C/c1ccccc1)c1coc(-c2nnn[n-]2)c1 ZINC001593054719 1174018766 /nfs/dbraw/zinc/01/87/66/1174018766.db2.gz IEFSTAKAYLXCJN-QPJJXVBHSA-N -1 1 295.302 1.903 20 0 CDADMM O=C(NC/C=C/c1ccccc1)c1coc(-c2nn[n-]n2)c1 ZINC001593054719 1174018774 /nfs/dbraw/zinc/01/87/74/1174018774.db2.gz IEFSTAKAYLXCJN-QPJJXVBHSA-N -1 1 295.302 1.903 20 0 CDADMM O=C(NC[C@H]1Cc2ccccc21)c1ccc(-c2nnn[n-]2)o1 ZINC001593048086 1174019315 /nfs/dbraw/zinc/01/93/15/1174019315.db2.gz YIECIZDNSCGMQN-SNVBAGLBSA-N -1 1 295.302 1.529 20 0 CDADMM O=C(NC[C@H]1Cc2ccccc21)c1ccc(-c2nn[n-]n2)o1 ZINC001593048086 1174019320 /nfs/dbraw/zinc/01/93/20/1174019320.db2.gz YIECIZDNSCGMQN-SNVBAGLBSA-N -1 1 295.302 1.529 20 0 CDADMM O=C([N-]Oc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCC12CC2 ZINC001593170376 1174028297 /nfs/dbraw/zinc/02/82/97/1174028297.db2.gz GYWVWCIPFYVICB-GFCCVEGCSA-N -1 1 299.334 1.857 20 0 CDADMM O=C([N-]Oc1cccc(-c2nn[nH]n2)c1)C1CCCCC1 ZINC001593171288 1174029204 /nfs/dbraw/zinc/02/92/04/1174029204.db2.gz UBNBFBTUWZJPOX-UHFFFAOYSA-N -1 1 287.323 1.857 20 0 CDADMM O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2nnn[n-]2)o1 ZINC001593180691 1174029720 /nfs/dbraw/zinc/02/97/20/1174029720.db2.gz HYIHURUDCKIJJQ-WDEREUQCSA-N -1 1 295.302 1.746 20 0 CDADMM O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593180691 1174029725 /nfs/dbraw/zinc/02/97/25/1174029725.db2.gz HYIHURUDCKIJJQ-WDEREUQCSA-N -1 1 295.302 1.746 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC2(C1)CCCC2 ZINC001593340085 1174068101 /nfs/dbraw/zinc/06/81/01/1174068101.db2.gz AHQFGKTWJVPXQC-UHFFFAOYSA-N -1 1 273.296 1.476 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC2(C1)CCCC2 ZINC001593340085 1174068106 /nfs/dbraw/zinc/06/81/06/1174068106.db2.gz AHQFGKTWJVPXQC-UHFFFAOYSA-N -1 1 273.296 1.476 20 0 CDADMM OCc1ccccc1CNc1cccnc1-c1nnn[n-]1 ZINC001593535772 1174107177 /nfs/dbraw/zinc/10/71/77/1174107177.db2.gz AUIPOAJWTWFGGU-UHFFFAOYSA-N -1 1 282.307 1.366 20 0 CDADMM OCc1ccccc1CNc1cccnc1-c1nn[n-]n1 ZINC001593535772 1174107182 /nfs/dbraw/zinc/10/71/82/1174107182.db2.gz AUIPOAJWTWFGGU-UHFFFAOYSA-N -1 1 282.307 1.366 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC[C@@]12C[C@@H]1CCCC2 ZINC001593552285 1174126238 /nfs/dbraw/zinc/12/62/38/1174126238.db2.gz YYERDOOYHLMLQA-TVQRCGJNSA-N -1 1 271.328 1.649 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC[C@@]12C[C@@H]1CCCC2 ZINC001593552285 1174126242 /nfs/dbraw/zinc/12/62/42/1174126242.db2.gz YYERDOOYHLMLQA-TVQRCGJNSA-N -1 1 271.328 1.649 20 0 CDADMM c1cc(-c2nc(Cc3ccncc3)no2)oc1-c1nn[n-]n1 ZINC001593557737 1174130357 /nfs/dbraw/zinc/13/03/57/1174130357.db2.gz UQDLEJNFVQTQKV-UHFFFAOYSA-N -1 1 295.262 1.496 20 0 CDADMM c1cc(N2CC[C@H]3CC[C@@H](C2)S3)nc(-c2nn[n-]n2)n1 ZINC001593559616 1174135524 /nfs/dbraw/zinc/13/55/24/1174135524.db2.gz QEFIDDKJNPAJHM-BDAKNGLRSA-N -1 1 289.368 1.131 20 0 CDADMM c1cc(-c2nc(Cc3ccccn3)no2)oc1-c1nn[n-]n1 ZINC001593574888 1174144680 /nfs/dbraw/zinc/14/46/80/1174144680.db2.gz MRZIGWZIMCNWLV-UHFFFAOYSA-N -1 1 295.262 1.496 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC001593582851 1174147913 /nfs/dbraw/zinc/14/79/13/1174147913.db2.gz BHKDRYJMWKHXAN-ZYHUDNBSSA-N -1 1 286.339 1.267 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC001593582851 1174147918 /nfs/dbraw/zinc/14/79/18/1174147918.db2.gz BHKDRYJMWKHXAN-ZYHUDNBSSA-N -1 1 286.339 1.267 20 0 CDADMM O=C([O-])c1ccccc1C1CCN(CC2OCCO2)CC1 ZINC001595250444 1174197868 /nfs/dbraw/zinc/19/78/68/1174197868.db2.gz LOHMOWKSPJICJT-UHFFFAOYSA-N -1 1 291.347 1.937 20 0 CDADMM Cc1cc([C@@H](C)N(C)[C@@H]2COC[C@H]2O)oc1C(=O)[O-] ZINC001600140138 1174377731 /nfs/dbraw/zinc/37/77/31/1174377731.db2.gz RBCCHVKKAMAHMN-OPRDCNLKSA-N -1 1 269.297 1.039 20 0 CDADMM Cc1cc(C)cc(OCCN2CCC[C@H](O)[C@H]2C(=O)[O-])c1 ZINC001600174998 1174387346 /nfs/dbraw/zinc/38/73/46/1174387346.db2.gz DXWRXHWFPQTOBY-GJZGRUSLSA-N -1 1 293.363 1.592 20 0 CDADMM Cc1cc([C@H]2CCCCN2C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)n[nH]1 ZINC001600182565 1174390893 /nfs/dbraw/zinc/39/08/93/1174390893.db2.gz KGTUJGWLHPRGJO-NTZNESFSSA-N -1 1 291.351 1.883 20 0 CDADMM Cc1cc(CN)oc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001600192331 1174399041 /nfs/dbraw/zinc/39/90/41/1174399041.db2.gz WGVPGIXTASFKHZ-LLVKDONJSA-N -1 1 294.351 1.764 20 0 CDADMM Cc1cccc(CCN2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)n1 ZINC001600530503 1174497177 /nfs/dbraw/zinc/49/71/77/1174497177.db2.gz OUGMDWUMNBKLPD-OAHLLOKOSA-N -1 1 289.335 1.238 20 0 CDADMM Cc1cccnc1NC(=O)CN1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001600593664 1174517581 /nfs/dbraw/zinc/51/75/81/1174517581.db2.gz XOLPCJJKLQEKFY-WDEREUQCSA-N -1 1 277.324 1.124 20 0 CDADMM Cc1cnc(Cl)c(CN[C@H]2CCO[C@H]2C(=O)[O-])c1 ZINC001600622101 1174535451 /nfs/dbraw/zinc/53/54/51/1174535451.db2.gz HSGJUVNGKXZGRS-VHSXEESVSA-N -1 1 270.716 1.375 20 0 CDADMM Cc1[nH]ncc1CN(C)C(=O)c1ccsc1C(=O)[O-] ZINC001600675222 1174558483 /nfs/dbraw/zinc/55/84/83/1174558483.db2.gz YLGCIHAXBOGHNJ-UHFFFAOYSA-N -1 1 279.321 1.750 20 0 CDADMM Cc1nnc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)[nH]1 ZINC001600712268 1174576776 /nfs/dbraw/zinc/57/67/76/1174576776.db2.gz WGXHQVMFTUDVMA-UHFFFAOYSA-N -1 1 264.285 1.087 20 0 CDADMM Cc1oc(C(=O)[O-])cc1CN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC001600828808 1174634548 /nfs/dbraw/zinc/63/45/48/1174634548.db2.gz GCYLATJDHWXYRR-NDMJEZRESA-N -1 1 292.335 1.372 20 0 CDADMM CN1CC(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)=NC1=O ZINC001600930227 1174668366 /nfs/dbraw/zinc/66/83/66/1174668366.db2.gz SDGDNXJILDGUKL-JTQLQIEISA-N -1 1 295.339 1.137 20 0 CDADMM Cn1cnnc1CN1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001600995844 1174696184 /nfs/dbraw/zinc/69/61/84/1174696184.db2.gz DHSLRBQDCBDPQH-OAHLLOKOSA-N -1 1 286.335 1.043 20 0 CDADMM Cn1ncc2c1CCCN([C@H](C(=O)[O-])c1cccnc1)C2 ZINC001601030680 1174709171 /nfs/dbraw/zinc/70/91/71/1174709171.db2.gz NJLAXCKCMSDFGO-AWEZNQCLSA-N -1 1 286.335 1.389 20 0 CDADMM Nc1ncccc1CN1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001601221463 1174796806 /nfs/dbraw/zinc/79/68/06/1174796806.db2.gz CRQSDYJZAOCEAT-LLVKDONJSA-N -1 1 289.257 1.503 20 0 CDADMM O=C([O-])c1ccc(CCC(=O)NC23CCN(CC2)C3)cc1 ZINC001601287364 1174824273 /nfs/dbraw/zinc/82/42/73/1174824273.db2.gz RJPRKQIFXDUOOI-UHFFFAOYSA-N -1 1 288.347 1.282 20 0 CDADMM O=C([O-])c1n[nH]c2ccc(NC(=O)c3ncccc3O)cc21 ZINC001601611712 1174912898 /nfs/dbraw/zinc/91/28/98/1174912898.db2.gz JYVLHDGLNQZECP-UHFFFAOYSA-N -1 1 298.258 1.614 20 0 CDADMM O=C([O-])[C@H](CF)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC001601648877 1174930259 /nfs/dbraw/zinc/93/02/59/1174930259.db2.gz 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COC[C@](C)(CC(=O)[O-])NCc1cc(F)ncc1F ZINC001606785057 1163992320 /nfs/dbraw/zinc/99/23/20/1163992320.db2.gz DIWPCMNWNFTPNM-LBPRGKRZSA-N -1 1 274.267 1.329 20 0 CDADMM COCCNCC(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001606896015 1164026473 /nfs/dbraw/zinc/02/64/73/1164026473.db2.gz BPPWRRBYDNKQSO-UHFFFAOYSA-N -1 1 298.364 1.281 20 0 CDADMM COC[C@@H]1C[C@@H](O)CN1Cc1cccc(C(=O)[O-])c1Cl ZINC001606937619 1164035385 /nfs/dbraw/zinc/03/53/85/1164035385.db2.gz AEQVFIUYWGFFLX-WDEREUQCSA-N -1 1 299.754 1.620 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1SC[C@@H]1C[C@H]2C[C@H]2C1 ZINC001607138457 1164118944 /nfs/dbraw/zinc/11/89/44/1164118944.db2.gz FVQRMAKABXCKIZ-AYMMMOKOSA-N -1 1 274.353 1.795 20 0 CDADMM CSc1nc(=O)n(Cc2cc(C(=O)[O-])ccc2Cl)[nH]1 ZINC001607415191 1164172243 /nfs/dbraw/zinc/17/22/43/1164172243.db2.gz HTNXASJUTLAOIR-UHFFFAOYSA-N -1 1 299.739 1.693 20 0 CDADMM C[C@@H](NCc1cc(C(=O)[O-])c2n1CCCC2)C(=O)N(C)C ZINC001607422396 1164174667 /nfs/dbraw/zinc/17/46/67/1164174667.db2.gz TYWHGPVENREFAZ-SNVBAGLBSA-N -1 1 293.367 1.089 20 0 CDADMM C[C@H](NC(=O)[C@H](C)N[C@@H]1CCc2c1cccc2F)C(=O)[O-] ZINC001607460037 1164189076 /nfs/dbraw/zinc/18/90/76/1164189076.db2.gz PTNFQHWMTNHFIP-MWODSPESSA-N -1 1 294.326 1.380 20 0 CDADMM CSc1nc(C)c(CCC(=O)OCC(F)F)c(=O)[n-]1 ZINC000103655178 723119432 /nfs/dbraw/zinc/11/94/32/723119432.db2.gz ARAZLMSOHAGWDR-UHFFFAOYSA-N -1 1 292.307 1.541 20 0 CDADMM CC(C)C(=O)N1CCCC[C@H]1[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001004734389 723143024 /nfs/dbraw/zinc/14/30/24/723143024.db2.gz DEIOAEUZPAGYFK-MNOVXSKESA-N -1 1 295.387 1.026 20 0 CDADMM O=C(NC[C@H](O)c1ccccc1)c1c([O-])cccc1F ZINC000184421600 723172713 /nfs/dbraw/zinc/17/27/13/723172713.db2.gz GKYICTBREVOPJI-ZDUSSCGKSA-N -1 1 275.279 1.995 20 0 CDADMM Cc1ccncc1C[N-]C(=O)C(F)(F)C(F)F ZINC000235806081 723182257 /nfs/dbraw/zinc/18/22/57/723182257.db2.gz VLJUGKRZPVZPPD-UHFFFAOYSA-N -1 1 250.195 1.907 20 0 CDADMM O=C(OCc1ccnc(Br)c1)c1cn[n-]n1 ZINC000815245967 723258870 /nfs/dbraw/zinc/25/88/70/723258870.db2.gz QNQJRGDAVVMSLE-UHFFFAOYSA-N -1 1 283.085 1.319 20 0 CDADMM Cn1c(CNC(=O)COC2CCCCC2)n[n-]c1=S ZINC000066626433 723339765 /nfs/dbraw/zinc/33/97/65/723339765.db2.gz QWGGAUYQTADAFY-UHFFFAOYSA-N -1 1 284.385 1.443 20 0 CDADMM CC[C@@H](CC1CCCC1)C(=O)NN1CC(=O)[N-]C1=O ZINC000172091538 723388172 /nfs/dbraw/zinc/38/81/72/723388172.db2.gz LDLZWYYPGRYUDC-JTQLQIEISA-N -1 1 267.329 1.176 20 0 CDADMM CSC[C@@H](C)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000081784199 723541481 /nfs/dbraw/zinc/54/14/81/723541481.db2.gz GNUYPQOFOBFCOK-MRVPVSSYSA-N -1 1 283.397 1.683 20 0 CDADMM C[C@@H]1SCC[C@@H]1[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000828382223 723554004 /nfs/dbraw/zinc/55/40/04/723554004.db2.gz QUWSKQQTMSCFLN-WDSKDSINSA-N -1 1 281.790 1.235 20 0 CDADMM O=C(c1cncc([O-])c1)N1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000887846345 723646282 /nfs/dbraw/zinc/64/62/82/723646282.db2.gz ATHOVITXYDYNDS-JSGCOSHPSA-N -1 1 292.335 1.197 20 0 CDADMM CCc1cc(CNC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])n[nH]1 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ZINC000863809709 723688998 /nfs/dbraw/zinc/68/89/98/723688998.db2.gz GCCILLODNCYLKV-UHFFFAOYSA-N -1 1 292.713 1.972 20 0 CDADMM Cc1cc(CNC2(CF)CCOCC2)[nH]c1C(=O)[O-] ZINC001607648444 1164256999 /nfs/dbraw/zinc/25/69/99/1164256999.db2.gz QVCMAGFGIOMYMX-UHFFFAOYSA-N -1 1 270.304 1.630 20 0 CDADMM Cc1cccc([N-]S(=O)(=O)c2cc(N)ccc2N)c1 ZINC001173809524 1164297784 /nfs/dbraw/zinc/29/77/84/1164297784.db2.gz ASICWSKXBCLWJV-UHFFFAOYSA-N -1 1 277.349 1.960 20 0 CDADMM NC(=O)C1(NCc2cc(C(=O)[O-])ccc2F)CCCC1 ZINC001608228547 1164461050 /nfs/dbraw/zinc/46/10/50/1164461050.db2.gz RVFMZUPQBAXNNS-UHFFFAOYSA-N -1 1 280.299 1.412 20 0 CDADMM C[C@@H]1CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@@H]1CO ZINC000864063510 1164502274 /nfs/dbraw/zinc/50/22/74/1164502274.db2.gz RGLMJNUSDNDPKH-MWLCHTKSSA-N -1 1 291.351 1.150 20 0 CDADMM COc1ccc(C(=O)NO[C@@H](CO)C(C)C)c([O-])c1 ZINC000836900856 723150298 /nfs/dbraw/zinc/15/02/98/723150298.db2.gz GAORUPSGHISYPB-LBPRGKRZSA-N -1 1 269.297 1.079 20 0 CDADMM C=C/C=C/CCNC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000881568221 723162976 /nfs/dbraw/zinc/16/29/76/723162976.db2.gz LSXIRJTWIPFARZ-SNAWJCMRSA-N -1 1 284.337 1.050 20 0 CDADMM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnn[n-]1 ZINC000072678350 723192488 /nfs/dbraw/zinc/19/24/88/723192488.db2.gz VGVOCWRDRZQPJY-UHFFFAOYSA-N -1 1 281.703 1.649 20 0 CDADMM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nn[n-]n1 ZINC000072678350 723192492 /nfs/dbraw/zinc/19/24/92/723192492.db2.gz VGVOCWRDRZQPJY-UHFFFAOYSA-N -1 1 281.703 1.649 20 0 CDADMM CC1(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)CC(F)(F)C1 ZINC000720520692 723203619 /nfs/dbraw/zinc/20/36/19/723203619.db2.gz KYJSBABSGAGVGC-QMMMGPOBSA-N -1 1 285.298 1.341 20 0 CDADMM COCC1(S(=O)(=O)[N-]c2c(C)cccc2OC)CC1 ZINC000882719033 723206392 /nfs/dbraw/zinc/20/63/92/723206392.db2.gz YAMUKDYXOIXAEB-UHFFFAOYSA-N -1 1 285.365 1.924 20 0 CDADMM CCO[C@@H]1C[C@H]([N-]C(=O)C(F)(F)C(F)F)[C@@H]1OC ZINC000777339785 723239829 /nfs/dbraw/zinc/23/98/29/723239829.db2.gz UJOZDTLRPOLENR-XVMARJQXSA-N -1 1 273.226 1.195 20 0 CDADMM O=C(c1cc(Cl)ccc1[O-])N1CCCNC(=O)C1 ZINC000112210118 723250905 /nfs/dbraw/zinc/25/09/05/723250905.db2.gz JVLSOJCCVKNCBV-UHFFFAOYSA-N -1 1 268.700 1.008 20 0 CDADMM Cc1cc2nccc(NC(=O)[N-]O[C@@H]3CCCCO3)n2n1 ZINC000932448004 723255164 /nfs/dbraw/zinc/25/51/64/723255164.db2.gz XHCGCRRVFWBLQE-GFCCVEGCSA-N -1 1 291.311 1.617 20 0 CDADMM CCCCCCNC(=O)CS(=O)(=O)c1ccc([O-])cc1 ZINC000049489247 723278959 /nfs/dbraw/zinc/27/89/59/723278959.db2.gz UKJYAGWCDRCFCD-UHFFFAOYSA-N -1 1 299.392 1.862 20 0 CDADMM N[C@@H](C(=O)[N-]O[C@@H]1CCCCO1)c1cccc(Cl)c1 ZINC000843449654 723309753 /nfs/dbraw/zinc/30/97/53/723309753.db2.gz FNVOPRVYLQEILM-VXGBXAGGSA-N -1 1 284.743 1.914 20 0 CDADMM CC[C@H](OC(=O)c1ccc(S(=O)(=O)[N-]C)o1)C(C)C ZINC000845852947 723348151 /nfs/dbraw/zinc/34/81/51/723348151.db2.gz LAOZIDGZZAJXAG-VIFPVBQESA-N -1 1 289.353 1.779 20 0 CDADMM Cc1coc(C(=O)N2CCC(c3nn[n-]n3)CC2)c1 ZINC000718413704 723636320 /nfs/dbraw/zinc/63/63/20/723636320.db2.gz NWEAORNQTNQDCD-UHFFFAOYSA-N -1 1 261.285 1.121 20 0 CDADMM O=C([O-])[C@]12COC[C@H]1CN(Cc1cnc(Cl)s1)C2 ZINC000852732289 723639187 /nfs/dbraw/zinc/63/91/87/723639187.db2.gz AEWUMLKVHVFGKT-RDDDGLTNSA-N -1 1 288.756 1.330 20 0 CDADMM C[C@](O)(CNC(=O)c1cncc([O-])c1)c1ccc(F)cc1 ZINC000179226601 723639366 /nfs/dbraw/zinc/63/93/66/723639366.db2.gz XADZXPQPZUJLPN-HNNXBMFYSA-N -1 1 290.294 1.564 20 0 CDADMM CO[C@H](CS(=O)(=O)[N-]c1cnn(C(F)F)c1)C(C)C ZINC000842588622 723660833 /nfs/dbraw/zinc/66/08/33/723660833.db2.gz NIQDCSACFHJRIG-SECBINFHSA-N -1 1 297.327 1.691 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@@H+]2C3CCC2(C(=O)[O-])CC3)n1 ZINC000872162274 723679080 /nfs/dbraw/zinc/67/90/80/723679080.db2.gz FITRNCJCILTFBG-UHFFFAOYSA-N -1 1 263.297 1.072 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@H+]2C3CCC2(C(=O)[O-])CC3)n1 ZINC000872162274 723679082 /nfs/dbraw/zinc/67/90/82/723679082.db2.gz FITRNCJCILTFBG-UHFFFAOYSA-N -1 1 263.297 1.072 20 0 CDADMM O=C([O-])[C@]1(F)CCN(C[C@@H]2CCC3(CCC3)O2)C1 ZINC001608575601 1164552944 /nfs/dbraw/zinc/55/29/44/1164552944.db2.gz MAOMKOXQBXZOJC-GWCFXTLKSA-N -1 1 257.305 1.587 20 0 CDADMM O=C([O-])Cn1cc(CN2CC[C@@H]3CCCC[C@H]3C2)nn1 ZINC001608797086 1164641189 /nfs/dbraw/zinc/64/11/89/1164641189.db2.gz NPVFTGKPFSHWKA-RYUDHWBXSA-N -1 1 278.356 1.375 20 0 CDADMM CC(C)COCCOC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609096502 1164767201 /nfs/dbraw/zinc/76/72/01/1164767201.db2.gz FKMPYFQIBAQELW-UHFFFAOYSA-N -1 1 291.311 1.091 20 0 CDADMM CC(C)COCCOC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609096502 1164767202 /nfs/dbraw/zinc/76/72/02/1164767202.db2.gz FKMPYFQIBAQELW-UHFFFAOYSA-N -1 1 291.311 1.091 20 0 CDADMM C[C@H]1CC[C@H](C)N(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001609161677 1164809483 /nfs/dbraw/zinc/80/94/83/1164809483.db2.gz XKZDQDSRUUYPIA-IUCAKERBSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@H]1CC[C@H](C)N(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001609161677 1164809492 /nfs/dbraw/zinc/80/94/92/1164809492.db2.gz XKZDQDSRUUYPIA-IUCAKERBSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@@](C)(OC)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609183654 1164823009 /nfs/dbraw/zinc/82/30/09/1164823009.db2.gz GJEXIRJMPMFMFX-GFCCVEGCSA-N -1 1 276.300 1.015 20 0 CDADMM CC[C@@](C)(OC)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609183654 1164823013 /nfs/dbraw/zinc/82/30/13/1164823013.db2.gz GJEXIRJMPMFMFX-GFCCVEGCSA-N -1 1 276.300 1.015 20 0 CDADMM CSCC[C@@H](C)[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000866814253 1164824318 /nfs/dbraw/zinc/82/43/18/1164824318.db2.gz NZUUNJORCHJEDS-SSDOTTSWSA-N -1 1 296.364 1.780 20 0 CDADMM CCOCCNc1snc(C)c1-c1nn[n-]n1 ZINC001609240826 1164860030 /nfs/dbraw/zinc/86/00/30/1164860030.db2.gz IEBRGVUDISATBZ-UHFFFAOYSA-N -1 1 254.319 1.080 20 0 CDADMM COC(=O)c1ccc(NCC(C)C)c(-c2nnn[n-]2)n1 ZINC001609303561 1164885135 /nfs/dbraw/zinc/88/51/35/1164885135.db2.gz BPDKZOOSONFFLZ-UHFFFAOYSA-N -1 1 276.300 1.116 20 0 CDADMM COC(=O)c1ccc(NCC(C)C)c(-c2nn[n-]n2)n1 ZINC001609303561 1164885141 /nfs/dbraw/zinc/88/51/41/1164885141.db2.gz BPDKZOOSONFFLZ-UHFFFAOYSA-N -1 1 276.300 1.116 20 0 CDADMM Cc1nsc(NCCc2ccnn2C)c1-c1nn[n-]n1 ZINC001609466221 1164962014 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XMHUHWPCQKWJRA-ZJUUUORDSA-N -1 1 289.339 1.116 20 0 CDADMM C[C@H](CN(C)C(=O)CC(C)(C)C1CC1)c1nn[n-]n1 ZINC000556724126 290288890 /nfs/dbraw/zinc/28/88/90/290288890.db2.gz VOPMKGZNNVOGDN-SECBINFHSA-N -1 1 265.361 1.588 20 0 CDADMM O=C(NCCCc1nc[nH]n1)c1cc(F)c([O-])c(F)c1 ZINC000557064626 290326395 /nfs/dbraw/zinc/32/63/95/290326395.db2.gz QBRQYJYGQVPBFE-UHFFFAOYSA-N -1 1 282.250 1.151 20 0 CDADMM O=S(=O)(CCOCC1CC1)[N-]c1cncc(F)c1 ZINC000562966850 293228542 /nfs/dbraw/zinc/22/85/42/293228542.db2.gz SXXVCUSKKYUHRE-UHFFFAOYSA-N -1 1 274.317 1.389 20 0 CDADMM O=C([O-])c1coc(=N[C@H]2CCO[C@@]3(CCSC3)C2)[nH]1 ZINC000563206255 293310407 /nfs/dbraw/zinc/31/04/07/293310407.db2.gz HGBXWUZYJJUGMX-UFBFGSQYSA-N -1 1 284.337 1.261 20 0 CDADMM COCc1nc(=N[C@@H]2CCOC3(CCC3)C2)s[n-]1 ZINC000330186613 293327465 /nfs/dbraw/zinc/32/74/65/293327465.db2.gz SERWCEDTBRWCMB-SECBINFHSA-N -1 1 269.370 1.620 20 0 CDADMM CCC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001590553703 1173461286 /nfs/dbraw/zinc/46/12/86/1173461286.db2.gz RBWHLXPINJVWAJ-ZETCQYMHSA-N -1 1 294.746 1.834 20 0 CDADMM Cc1cnc(SC[C@H]2CCCS(=O)(=O)C2)[n-]c1=O ZINC000570291547 294211689 /nfs/dbraw/zinc/21/16/89/294211689.db2.gz CKHDEMWGQVGNHT-SECBINFHSA-N -1 1 288.394 1.408 20 0 CDADMM Cc1sc(=N[C@@H](C)c2nnc3n2CCC3)[nH]c1C(=O)[O-] ZINC000571093469 294367797 /nfs/dbraw/zinc/36/77/97/294367797.db2.gz PFABZWBDPJJUKA-LURJTMIESA-N -1 1 293.352 1.282 20 0 CDADMM CCCN(C(=O)CC)c1snc(C)c1-c1nnn[n-]1 ZINC001590618856 1173478736 /nfs/dbraw/zinc/47/87/36/1173478736.db2.gz KQWLECBXJIAQGS-UHFFFAOYSA-N -1 1 280.357 1.785 20 0 CDADMM CCCN(C(=O)CC)c1snc(C)c1-c1nn[n-]n1 ZINC001590618856 1173478739 /nfs/dbraw/zinc/47/87/39/1173478739.db2.gz KQWLECBXJIAQGS-UHFFFAOYSA-N -1 1 280.357 1.785 20 0 CDADMM CC[C@@H]1CC[C@@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590857693 1173527800 /nfs/dbraw/zinc/52/78/00/1173527800.db2.gz BRWBMBCVNOPNQR-NXEZZACHSA-N -1 1 273.344 1.672 20 0 CDADMM CC[C@@H]1CC[C@@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590857693 1173527810 /nfs/dbraw/zinc/52/78/10/1173527810.db2.gz BRWBMBCVNOPNQR-NXEZZACHSA-N -1 1 273.344 1.672 20 0 CDADMM CN(CC(=O)C(C)(C)C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591037615 1173566148 /nfs/dbraw/zinc/56/61/48/1173566148.db2.gz RPPQFTRFBLNKGD-UHFFFAOYSA-N -1 1 291.311 1.147 20 0 CDADMM CN(CC(=O)C(C)(C)C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591037615 1173566156 /nfs/dbraw/zinc/56/61/56/1173566156.db2.gz RPPQFTRFBLNKGD-UHFFFAOYSA-N -1 1 291.311 1.147 20 0 CDADMM CO[C@](C)(CNc1nc(-c2nn[n-]n2)ccc1C)C1CC1 ZINC001591318791 1173603989 /nfs/dbraw/zinc/60/39/89/1173603989.db2.gz WIFMANUZSITDQZ-CQSZACIVSA-N -1 1 288.355 1.797 20 0 CDADMM COC1(CNc2cc(C)nc(-c3nnn[n-]3)c2)CCC1 ZINC001591342902 1173619881 /nfs/dbraw/zinc/61/98/81/1173619881.db2.gz LOQWTOVDKPEPJB-UHFFFAOYSA-N -1 1 274.328 1.551 20 0 CDADMM COC1(CNc2cc(C)nc(-c3nn[n-]n3)c2)CCC1 ZINC001591342902 1173619884 /nfs/dbraw/zinc/61/98/84/1173619884.db2.gz LOQWTOVDKPEPJB-UHFFFAOYSA-N -1 1 274.328 1.551 20 0 CDADMM COC[C@@H](CC(C)(C)C)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001591376084 1173636073 /nfs/dbraw/zinc/63/60/73/1173636073.db2.gz PZIGECSLIXZJMR-SECBINFHSA-N -1 1 291.359 1.520 20 0 CDADMM COC[C@@H](CC(C)(C)C)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001591376084 1173636080 /nfs/dbraw/zinc/63/60/80/1173636080.db2.gz PZIGECSLIXZJMR-SECBINFHSA-N -1 1 291.359 1.520 20 0 CDADMM COC[C@@H](C)SCc1ccc(-c2nnn[n-]2)o1 ZINC001591376103 1173637273 /nfs/dbraw/zinc/63/72/73/1173637273.db2.gz QCSRSSMZVQYQQN-SSDOTTSWSA-N -1 1 254.315 1.728 20 0 CDADMM COC[C@@H](C)SCc1ccc(-c2nn[n-]n2)o1 ZINC001591376103 1173637278 /nfs/dbraw/zinc/63/72/78/1173637278.db2.gz QCSRSSMZVQYQQN-SSDOTTSWSA-N -1 1 254.315 1.728 20 0 CDADMM CO[C@H]1C[C@H](Nc2ccc(C)nc2-c2nnn[n-]2)C1 ZINC001591474686 1173662178 /nfs/dbraw/zinc/66/21/78/1173662178.db2.gz OHGMBMJQTMSLGF-KYZUINATSA-N -1 1 260.301 1.159 20 0 CDADMM CO[C@H]1C[C@H](Nc2ccc(C)nc2-c2nn[n-]n2)C1 ZINC001591474686 1173662183 /nfs/dbraw/zinc/66/21/83/1173662183.db2.gz OHGMBMJQTMSLGF-KYZUINATSA-N -1 1 260.301 1.159 20 0 CDADMM CS/C=C\C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001591691990 1173684585 /nfs/dbraw/zinc/68/45/85/1173684585.db2.gz VGHJPQIBAJIZRT-XQRVVYSFSA-N -1 1 277.309 1.182 20 0 CDADMM CS/C=C\C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001591691990 1173684587 /nfs/dbraw/zinc/68/45/87/1173684587.db2.gz VGHJPQIBAJIZRT-XQRVVYSFSA-N -1 1 277.309 1.182 20 0 CDADMM CSCCCN(C)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001591699746 1173686213 /nfs/dbraw/zinc/68/62/13/1173686213.db2.gz UIFUIIOXRJQDKN-UHFFFAOYSA-N -1 1 297.409 1.753 20 0 CDADMM CSCCCN(C)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001591699746 1173686220 /nfs/dbraw/zinc/68/62/20/1173686220.db2.gz UIFUIIOXRJQDKN-UHFFFAOYSA-N -1 1 297.409 1.753 20 0 CDADMM CSCCCN(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591699767 1173688723 /nfs/dbraw/zinc/68/87/23/1173688723.db2.gz UTLQDABVKGAGSL-UHFFFAOYSA-N -1 1 281.341 1.285 20 0 CDADMM CSCCCN(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591699767 1173688729 /nfs/dbraw/zinc/68/87/29/1173688729.db2.gz UTLQDABVKGAGSL-UHFFFAOYSA-N -1 1 281.341 1.285 20 0 CDADMM Cn1cc(Cc2nc(-c3ccc([O-])c(F)c3)no2)cn1 ZINC000350821727 316209288 /nfs/dbraw/zinc/20/92/88/316209288.db2.gz ADJNZRABBZAGNQ-UHFFFAOYSA-N -1 1 274.255 1.906 20 0 CDADMM Cc1cc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)oc1C ZINC001591933139 1173745978 /nfs/dbraw/zinc/74/59/78/1173745978.db2.gz ZBLCRMKCTYLHJX-UHFFFAOYSA-N -1 1 273.256 1.052 20 0 CDADMM Cc1cc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)oc1C ZINC001591933139 1173745982 /nfs/dbraw/zinc/74/59/82/1173745982.db2.gz ZBLCRMKCTYLHJX-UHFFFAOYSA-N -1 1 273.256 1.052 20 0 CDADMM COc1ccc(CN2C[C@@H](OC)C[C@H]2C(=O)[O-])cc1 ZINC000576998318 317246637 /nfs/dbraw/zinc/24/66/37/317246637.db2.gz FXPCKJJLBIZNTL-STQMWFEESA-N -1 1 265.309 1.369 20 0 CDADMM Cc1cc(N2CC[C@H](C)[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001591999364 1173770200 /nfs/dbraw/zinc/77/02/00/1173770200.db2.gz GEONLRYQAKJSJR-WCBMZHEXSA-N -1 1 258.329 1.805 20 0 CDADMM Cc1cc(N2CC[C@H](C)[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001591999364 1173770201 /nfs/dbraw/zinc/77/02/01/1173770201.db2.gz GEONLRYQAKJSJR-WCBMZHEXSA-N -1 1 258.329 1.805 20 0 CDADMM Cc1ccc(N2CCCC[C@@H]2C)nc1-c1nn[n-]n1 ZINC001592176820 1173822262 /nfs/dbraw/zinc/82/22/62/1173822262.db2.gz PQSHUEGHBFSQDV-JTQLQIEISA-N -1 1 258.329 1.949 20 0 CDADMM Cc1nc(N[C@@H](C)C(F)F)cc(-c2nnn[n-]2)n1 ZINC001592378080 1173872995 /nfs/dbraw/zinc/87/29/95/1173872995.db2.gz BCCGXTSNVZGRAZ-BYPYZUCNSA-N -1 1 255.232 1.031 20 0 CDADMM Cc1nc(N[C@@H](C)C(F)F)cc(-c2nn[n-]n2)n1 ZINC001592378080 1173872997 /nfs/dbraw/zinc/87/29/97/1173872997.db2.gz BCCGXTSNVZGRAZ-BYPYZUCNSA-N -1 1 255.232 1.031 20 0 CDADMM C[N@H+]1CCN(c2nc(C(C)(C)C)ns2)C[C@H](C(=O)[O-])C1 ZINC000579716529 324263829 /nfs/dbraw/zinc/26/38/29/324263829.db2.gz PHKJJZGKHRLIPD-SECBINFHSA-N -1 1 298.412 1.288 20 0 CDADMM CC(C)O[C@@H]1CCN(C(=O)c2cncc([O-])c2)C1 ZINC000582906924 325068267 /nfs/dbraw/zinc/06/82/67/325068267.db2.gz OFJUNYUMJISCQZ-GFCCVEGCSA-N -1 1 250.298 1.427 20 0 CDADMM Cc1cnc(SCCCS(C)(=O)=O)[n-]c1=O ZINC000583274255 325143269 /nfs/dbraw/zinc/14/32/69/325143269.db2.gz SXPJKBHLFXIKCZ-UHFFFAOYSA-N -1 1 262.356 1.017 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CC12CC2 ZINC001592498869 1173904658 /nfs/dbraw/zinc/90/46/58/1173904658.db2.gz GJFPANXNKGMDAD-VIFPVBQESA-N -1 1 259.269 1.050 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CC12CC2 ZINC001592498869 1173904659 /nfs/dbraw/zinc/90/46/59/1173904659.db2.gz GJFPANXNKGMDAD-VIFPVBQESA-N -1 1 259.269 1.050 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)c1nccs1 ZINC001592494812 1173904993 /nfs/dbraw/zinc/90/49/93/1173904993.db2.gz DUUSXOJQVJFKKR-UHFFFAOYSA-N -1 1 290.308 1.501 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)c1nccs1 ZINC001592494812 1173904997 /nfs/dbraw/zinc/90/49/97/1173904997.db2.gz DUUSXOJQVJFKKR-UHFFFAOYSA-N -1 1 290.308 1.501 20 0 CDADMM O=C([O-])[C@H]1CN(C[C@@H](O)C(F)(F)F)Cc2ccccc21 ZINC000227029359 482224363 /nfs/dbraw/zinc/22/43/63/482224363.db2.gz UQGFMQGDTGMLAN-WDEREUQCSA-N -1 1 289.253 1.594 20 0 CDADMM C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000054298859 482538642 /nfs/dbraw/zinc/53/86/42/482538642.db2.gz KQJVWIZDTLHABI-NWDGAFQWSA-N -1 1 282.384 1.620 20 0 CDADMM O=C(N[C@H]1CC[C@H](CO)CC1)c1ccc([O-])c(F)c1 ZINC000681057532 482676350 /nfs/dbraw/zinc/67/63/50/482676350.db2.gz YRSVHGZOSYQKPM-HOMQSWHASA-N -1 1 267.300 1.812 20 0 CDADMM Cn1ccc(CCNC(=O)c2ccc([O-])c(F)c2)n1 ZINC000681069649 482682759 /nfs/dbraw/zinc/68/27/59/482682759.db2.gz HNCQTZJMXOBGQC-UHFFFAOYSA-N -1 1 263.272 1.237 20 0 CDADMM NC(=O)N1CCC[C@@H](CNC(=O)c2ccc([O-])c(F)c2)C1 ZINC000673349422 482722759 /nfs/dbraw/zinc/72/27/59/482722759.db2.gz JZOSLUINLXMELI-VIFPVBQESA-N -1 1 295.314 1.052 20 0 CDADMM CC(C)[C@H](CNC(=O)c1n[nH]c2ccccc21)C(=O)[O-] ZINC000087478806 482859654 /nfs/dbraw/zinc/85/96/54/482859654.db2.gz OLNWCNWNJJZGQX-JTQLQIEISA-N -1 1 275.308 1.650 20 0 CDADMM O=C(Cc1cccs1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000670384145 482871325 /nfs/dbraw/zinc/87/13/25/482871325.db2.gz FMOQZBZARKHCGB-VIFPVBQESA-N -1 1 293.348 1.785 20 0 CDADMM CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1nn[n-]n1 ZINC000673990855 482916575 /nfs/dbraw/zinc/91/65/75/482916575.db2.gz CIBJVWVTDNMCCJ-SECBINFHSA-N -1 1 295.730 1.327 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CCOC[C@H]1[C@H]1CCCO1 ZINC000672198566 482951264 /nfs/dbraw/zinc/95/12/64/482951264.db2.gz IUOYQQXWSOZDTR-GXTWGEPZSA-N -1 1 295.310 1.551 20 0 CDADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CC[C@@H]2CCC[C@@H]21 ZINC000681708326 482969460 /nfs/dbraw/zinc/96/94/60/482969460.db2.gz FWIUDZZCCSGEGT-GWCFXTLKSA-N -1 1 283.331 1.938 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccc([O-])c(F)c2)[C@@H](C(N)=O)C1 ZINC000681758734 482996368 /nfs/dbraw/zinc/99/63/68/482996368.db2.gz HGLJQLPYJUWJJF-GZMMTYOYSA-N -1 1 280.299 1.257 20 0 CDADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@@H]1C[C@H]1C1CC1 ZINC000674360957 483018088 /nfs/dbraw/zinc/01/80/88/483018088.db2.gz ZRWJJSGKAVLNQC-YNEHKIRRSA-N -1 1 283.335 1.451 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CCc2nc[nH]c(=O)c2C1 ZINC000681057530 483057596 /nfs/dbraw/zinc/05/75/96/483057596.db2.gz AEJYXDIMKWLMTF-UHFFFAOYSA-N -1 1 289.266 1.225 20 0 CDADMM COC[C@@H](NC(=O)c1ccc([O-])c(F)c1)[C@H]1CCCO1 ZINC000684092895 483204264 /nfs/dbraw/zinc/20/42/64/483204264.db2.gz XBURDFZHOPWXPO-DGCLKSJQSA-N -1 1 283.299 1.455 20 0 CDADMM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCN(CC2CC2)CC1 ZINC000163935728 483231148 /nfs/dbraw/zinc/23/11/48/483231148.db2.gz NOJLBIPVOBVOGL-GFCCVEGCSA-N -1 1 282.384 1.288 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2cc(C3CC3)n(C)n2)c1[O-] ZINC000685894005 483249566 /nfs/dbraw/zinc/24/95/66/483249566.db2.gz KSPQCIOELFRJOF-UHFFFAOYSA-N -1 1 261.285 1.287 20 0 CDADMM C[C@H](C[C@H]1CCOC1)NC(=O)c1cncc([O-])c1 ZINC000675415831 483300095 /nfs/dbraw/zinc/30/00/95/483300095.db2.gz KSRFTLGOUHNRLS-NXEZZACHSA-N -1 1 250.298 1.332 20 0 CDADMM O=C(NC[C@H]1CC[C@@H](O)C1)c1ccc([O-])c(F)c1 ZINC000682813752 483354980 /nfs/dbraw/zinc/35/49/80/483354980.db2.gz HKNQNOUITKIKHF-WCBMZHEXSA-N -1 1 253.273 1.422 20 0 CDADMM O=C([O-])C1(NCC(=O)N2CCCCCC2)CCCC1 ZINC000676230495 483443109 /nfs/dbraw/zinc/44/31/09/483443109.db2.gz KTWVTGQFVGRKCX-UHFFFAOYSA-N -1 1 268.357 1.376 20 0 CDADMM CCc1cc(=O)[n-]c(SCCn2ccccc2=O)n1 ZINC000683454692 483528347 /nfs/dbraw/zinc/52/83/47/483528347.db2.gz SDZOHCQIAREEBC-UHFFFAOYSA-N -1 1 277.349 1.699 20 0 CDADMM CCC[C@@H](NC(=O)[C@H](C)c1c(C)n[nH]c1C)c1nn[n-]n1 ZINC000680206138 483552988 /nfs/dbraw/zinc/55/29/88/483552988.db2.gz FYVDLSNTYCNVLY-GMSGAONNSA-N -1 1 291.359 1.301 20 0 CDADMM CNC(=O)c1cccc(NC(=O)c2n[nH]c(C)c2[O-])c1 ZINC000676689081 483561364 /nfs/dbraw/zinc/56/13/64/483561364.db2.gz XMGKDMHQJFYBRG-UHFFFAOYSA-N -1 1 274.280 1.036 20 0 CDADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ccc(F)cn1 ZINC000680319320 483580593 /nfs/dbraw/zinc/58/05/93/483580593.db2.gz WRBKGZVERVKRNJ-LBPRGKRZSA-N -1 1 298.281 1.253 20 0 CDADMM CN(Cc1nc(-c2ccc([O-])cc2F)no1)C(=O)C1CC1 ZINC000683592065 483594010 /nfs/dbraw/zinc/59/40/10/483594010.db2.gz JFNKHGKGDSOVJB-UHFFFAOYSA-N -1 1 291.282 1.950 20 0 CDADMM Cn1[n-]c(CN2CC[C@H]2c2cccc(F)c2)nc1=O ZINC000680376003 483601096 /nfs/dbraw/zinc/60/10/96/483601096.db2.gz SQTKLTNNSXHGNL-NSHDSACASA-N -1 1 262.288 1.195 20 0 CDADMM COC[C@@H]([N-]C(=O)C(F)(F)C(F)F)[C@@H]1CCCO1 ZINC000790280307 1162139697 /nfs/dbraw/zinc/13/96/97/1162139697.db2.gz IEEMITUUQSNLNK-RQJHMYQMSA-N -1 1 273.226 1.197 20 0 CDADMM CC(C)n1c(CCNC(=O)c2cccn2C)n[n-]c1=S ZINC000067074405 519920935 /nfs/dbraw/zinc/92/09/35/519920935.db2.gz FBDBNPITPWDSPO-UHFFFAOYSA-N -1 1 293.396 1.833 20 0 CDADMM CCCOCC(=O)N1CCC(c2n[n-]c(=S)n2C)CC1 ZINC000068427808 520232166 /nfs/dbraw/zinc/23/21/66/520232166.db2.gz BJRJGXKUSFVNCW-UHFFFAOYSA-N -1 1 298.412 1.610 20 0 CDADMM CCc1oc(C(=O)Nc2ccncc2[O-])cc1C(=O)OC ZINC000338551148 522981442 /nfs/dbraw/zinc/98/14/42/522981442.db2.gz HSLSNJOJDTZSGI-UHFFFAOYSA-N -1 1 290.275 1.403 20 0 CDADMM CN(Cc1ccccc1)C(=O)CNC(=O)c1cncc([O-])c1 ZINC000111573403 523329579 /nfs/dbraw/zinc/32/95/79/523329579.db2.gz RORPYIDOHWKNAI-UHFFFAOYSA-N -1 1 299.330 1.176 20 0 CDADMM Cc1cc(CCC(=O)Nc2ccccc2CC(=O)[O-])n[nH]1 ZINC001600188352 1174391672 /nfs/dbraw/zinc/39/16/72/1174391672.db2.gz LSEJBZPAYLAKMZ-UHFFFAOYSA-N -1 1 287.319 1.917 20 0 CDADMM O=C([O-])c1ccc(CN2CCN(C3CC3)CC2)c(F)c1 ZINC000062756120 526364280 /nfs/dbraw/zinc/36/42/80/526364280.db2.gz SGFRDOZZOLRKGJ-UHFFFAOYSA-N -1 1 278.327 1.804 20 0 CDADMM O=C(Nc1ccc(F)cc1[O-])c1cnn(CCF)c1 ZINC000354981907 527213955 /nfs/dbraw/zinc/21/39/55/527213955.db2.gz UEJGBIPQHNLJPC-UHFFFAOYSA-N -1 1 267.235 1.950 20 0 CDADMM O=S(=O)([N-][C@@H]1CCOC1)c1cc(Cl)ccc1F ZINC000340882261 527237356 /nfs/dbraw/zinc/23/73/56/527237356.db2.gz LORNEAASCZOHDE-MRVPVSSYSA-N -1 1 279.720 1.546 20 0 CDADMM CC(C)(CCCO)CNC(=O)c1cncc([O-])c1 ZINC000221920459 535019193 /nfs/dbraw/zinc/01/91/93/535019193.db2.gz IYDMGNFMIKMNTB-UHFFFAOYSA-N -1 1 252.314 1.316 20 0 CDADMM CC[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C(C)(C)C ZINC000416151188 535891369 /nfs/dbraw/zinc/89/13/69/535891369.db2.gz ONFUEZUNVPFVGR-ZETCQYMHSA-N -1 1 283.328 1.451 20 0 CDADMM C[C@@]1(CO)CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000093340446 1174437624 /nfs/dbraw/zinc/43/76/24/1174437624.db2.gz NHRSIRZLYLDLAM-CQSZACIVSA-N -1 1 280.324 1.895 20 0 CDADMM COc1ccc(C)cc1NC(=O)[C@@H](C)N(C)CCC(=O)[O-] ZINC000262630085 536813132 /nfs/dbraw/zinc/81/31/32/536813132.db2.gz GVWNOIGCOPDVCU-LLVKDONJSA-N -1 1 294.351 1.737 20 0 CDADMM Cc1cnn(C)c1CN[C@H](C(=O)[O-])c1cccc(O)c1 ZINC001600635457 1174545130 /nfs/dbraw/zinc/54/51/30/1174545130.db2.gz KCIXNDUNHKGDIN-ZDUSSCGKSA-N -1 1 275.308 1.350 20 0 CDADMM Cc1ncsc1CCN1CCc2[nH]nc(C(=O)[O-])c2C1 ZINC001600759387 1174598471 /nfs/dbraw/zinc/59/84/71/1174598471.db2.gz IRBQZTHSHNPLBW-UHFFFAOYSA-N -1 1 292.364 1.474 20 0 CDADMM Cc1nn(CCC(=O)[O-])c(C)c1CN(C)C[C@H]1CCCO1 ZINC001600784396 1174609483 /nfs/dbraw/zinc/60/94/83/1174609483.db2.gz MFRRRRNIARYVNG-CYBMUJFWSA-N -1 1 295.383 1.585 20 0 CDADMM Cc1sc(C)c(C(=O)[O-])c1NC(=O)Cc1cnc[nH]1 ZINC001600875443 1174652119 /nfs/dbraw/zinc/65/21/19/1174652119.db2.gz SGHMLGJBUQWYBM-UHFFFAOYSA-N -1 1 279.321 1.967 20 0 CDADMM Cn1cc(C(F)F)c(CNC[C@@H]2[C@@H](C(=O)[O-])C2(F)F)n1 ZINC001600937516 1174670694 /nfs/dbraw/zinc/67/06/94/1174670694.db2.gz CYZRYOZRELBICF-SVRRBLITSA-N -1 1 295.236 1.413 20 0 CDADMM Cn1cc(CN[C@@H](CO)c2cccc(F)c2)cc1C(=O)[O-] ZINC001600953495 1174678780 /nfs/dbraw/zinc/67/87/80/1174678780.db2.gz XEEYLWFYQXXTHW-ZDUSSCGKSA-N -1 1 292.310 1.686 20 0 CDADMM O=C(c1cc2ccccc2o1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000738253153 574497259 /nfs/dbraw/zinc/49/72/59/574497259.db2.gz AEXDOVIVQLSWTB-JTQLQIEISA-N -1 1 299.290 1.160 20 0 CDADMM Cc1ccc(F)cc1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000726865090 574507925 /nfs/dbraw/zinc/50/79/25/574507925.db2.gz QBWGGLHPRZASLS-UHFFFAOYSA-N -1 1 291.282 1.013 20 0 CDADMM CCCCCC[C@@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000726871680 574507979 /nfs/dbraw/zinc/50/79/79/574507979.db2.gz QBJSVWHWDMPDBI-GFCCVEGCSA-N -1 1 295.383 1.402 20 0 CDADMM C[C@H](CC[S@@](C)=O)NC(=O)c1c([O-])cccc1Cl ZINC000748365708 574518825 /nfs/dbraw/zinc/51/88/25/574518825.db2.gz DCODADZNBVDJBY-NTCNTBNZSA-N -1 1 289.784 1.933 20 0 CDADMM CC[C@@H](C(=O)[O-])N(C)Cc1nccn1CC(F)(F)F ZINC000737773822 574535597 /nfs/dbraw/zinc/53/55/97/574535597.db2.gz JFKDVJJBEIEELY-QMMMGPOBSA-N -1 1 279.262 1.740 20 0 CDADMM O=C([O-])[C@H](c1c(F)cccc1Cl)N1C[C@@H]2C[C@]2(O)C1 ZINC001601686939 1174944776 /nfs/dbraw/zinc/94/47/76/1174944776.db2.gz LOGJCBXJNLMURB-XDYOCTJHSA-N -1 1 285.702 1.671 20 0 CDADMM O=C([O-])[C@@H](Sc1c[nH]nn1)c1ccc(F)cc1 ZINC001601692071 1174947075 /nfs/dbraw/zinc/94/70/75/1174947075.db2.gz UUWUERVZDOFBLO-VIFPVBQESA-N -1 1 253.258 1.862 20 0 CDADMM Cn1[n-]c(COC(=O)C=C2CCCCC2)nc1=O ZINC000765459037 575090271 /nfs/dbraw/zinc/09/02/71/575090271.db2.gz REGZDNHXZKMNOZ-UHFFFAOYSA-N -1 1 251.286 1.042 20 0 CDADMM CN(C)[C@H](CNC(=O)CCCC(=O)[O-])c1cccc(F)c1 ZINC000743411925 576638777 /nfs/dbraw/zinc/63/87/77/576638777.db2.gz JJCMEGPSBUAMAD-CYBMUJFWSA-N -1 1 296.342 1.800 20 0 CDADMM O=c1[n-]c(CN2CCCC[C@H]2[C@@H](O)c2ccccc2)n[nH]1 ZINC000774663623 575225599 /nfs/dbraw/zinc/22/55/99/575225599.db2.gz NREFYDYUFROZOE-JSGCOSHPSA-N -1 1 288.351 1.598 20 0 CDADMM COCC1(NC(=O)c2c([O-])cccc2Cl)CC1 ZINC000770016620 575411011 /nfs/dbraw/zinc/41/10/11/575411011.db2.gz MSHMBFHIVRSFQJ-UHFFFAOYSA-N -1 1 255.701 1.954 20 0 CDADMM CC(=O)Nc1ccc(Oc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC000735489425 575472941 /nfs/dbraw/zinc/47/29/41/575472941.db2.gz ZBKYUCZRAFQTDM-UHFFFAOYSA-N -1 1 297.278 1.407 20 0 CDADMM CC(=O)Nc1ccc(Oc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC000735489425 575472944 /nfs/dbraw/zinc/47/29/44/575472944.db2.gz ZBKYUCZRAFQTDM-UHFFFAOYSA-N -1 1 297.278 1.407 20 0 CDADMM CC(C)OC1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000735894112 575531348 /nfs/dbraw/zinc/53/13/48/575531348.db2.gz FHSFUTMUUULTSM-UHFFFAOYSA-N -1 1 288.355 1.656 20 0 CDADMM CC(C)OC1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000735894112 575531350 /nfs/dbraw/zinc/53/13/50/575531350.db2.gz FHSFUTMUUULTSM-UHFFFAOYSA-N -1 1 288.355 1.656 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](CO)C1CC1 ZINC000771021236 575531693 /nfs/dbraw/zinc/53/16/93/575531693.db2.gz QNUQHMGOZQAIIO-JTQLQIEISA-N -1 1 279.340 1.115 20 0 CDADMM C[C@@H]1C[C@@H]1COC(=O)c1sccc1-c1nn[n-]n1 ZINC000736240681 575598062 /nfs/dbraw/zinc/59/80/62/575598062.db2.gz WGYWUILVORUWMJ-RNFRBKRXSA-N -1 1 264.310 1.741 20 0 CDADMM C[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000736278284 575609740 /nfs/dbraw/zinc/60/97/40/575609740.db2.gz QYHFLSUPVSPCAH-VIFPVBQESA-N -1 1 259.317 1.283 20 0 CDADMM C[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000736278284 575609742 /nfs/dbraw/zinc/60/97/42/575609742.db2.gz QYHFLSUPVSPCAH-VIFPVBQESA-N -1 1 259.317 1.283 20 0 CDADMM CC(C)(NCC(=O)NC1(c2ccccc2)CCC1)C(=O)[O-] ZINC000736339605 575628740 /nfs/dbraw/zinc/62/87/40/575628740.db2.gz UKOIOYMPARCKGX-UHFFFAOYSA-N -1 1 290.363 1.635 20 0 CDADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccncc1 ZINC000736506452 575681194 /nfs/dbraw/zinc/68/11/94/575681194.db2.gz YRMSNUVQXUZPPL-UHFFFAOYSA-N -1 1 295.306 1.323 20 0 CDADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccncc1 ZINC000736506452 575681195 /nfs/dbraw/zinc/68/11/95/575681195.db2.gz YRMSNUVQXUZPPL-UHFFFAOYSA-N -1 1 295.306 1.323 20 0 CDADMM CC[C@H](C)C[N@@H+](C)CC(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC ZINC000736879913 575768835 /nfs/dbraw/zinc/76/88/35/575768835.db2.gz INSRMWDSFXFLSE-GMXVVIOVSA-N -1 1 272.389 1.580 20 0 CDADMM Cc1cc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)c(C)o1 ZINC000773161042 575787074 /nfs/dbraw/zinc/78/70/74/575787074.db2.gz KLFXMUNXXYZWPG-JTQLQIEISA-N -1 1 293.352 1.340 20 0 CDADMM CCCN(C)CC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737007102 575791333 /nfs/dbraw/zinc/79/13/33/575791333.db2.gz BLKDNDVBRVTSCY-UHFFFAOYSA-N -1 1 279.340 1.735 20 0 CDADMM COc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737110339 575826164 /nfs/dbraw/zinc/82/61/64/575826164.db2.gz ZMNLDLPIVRVEET-UHFFFAOYSA-N -1 1 297.274 1.490 20 0 CDADMM COc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737110339 575826165 /nfs/dbraw/zinc/82/61/65/575826165.db2.gz ZMNLDLPIVRVEET-UHFFFAOYSA-N -1 1 297.274 1.490 20 0 CDADMM CC(C)NC(=O)COC(=O)c1ccc([O-])cc1F ZINC000773570670 575827206 /nfs/dbraw/zinc/82/72/06/575827206.db2.gz SWPCJDDYHNNAPX-UHFFFAOYSA-N -1 1 255.245 1.213 20 0 CDADMM CCNC(=O)CN(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000737124310 575828468 /nfs/dbraw/zinc/82/84/68/575828468.db2.gz LNMXQOQNZVHQDE-LBPRGKRZSA-N -1 1 278.352 1.345 20 0 CDADMM COc1ccccc1CNc1nccnc1-c1nnn[n-]1 ZINC000737151143 575832772 /nfs/dbraw/zinc/83/27/72/575832772.db2.gz CUVSKOIRSBIPHY-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM COc1ccccc1CNc1nccnc1-c1nn[n-]n1 ZINC000737151143 575832774 /nfs/dbraw/zinc/83/27/74/575832774.db2.gz CUVSKOIRSBIPHY-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM CCOCCN1CCN(Cc2ccoc2C(=O)[O-])C[C@H]1C ZINC000737177073 575895578 /nfs/dbraw/zinc/89/55/78/575895578.db2.gz MVVHGQLOSZWUHQ-GFCCVEGCSA-N -1 1 296.367 1.520 20 0 CDADMM Cc1ccc(CNc2nccnc2-c2nnn[n-]2)c(C)c1 ZINC000737340623 575943357 /nfs/dbraw/zinc/94/33/57/575943357.db2.gz ANIVCFGDMCCTKP-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1ccc(CNc2nccnc2-c2nn[n-]n2)c(C)c1 ZINC000737340623 575943361 /nfs/dbraw/zinc/94/33/61/575943361.db2.gz ANIVCFGDMCCTKP-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737342807 575943739 /nfs/dbraw/zinc/94/37/39/575943739.db2.gz QKXJBLSLVSMVSP-UHFFFAOYSA-N -1 1 294.318 1.500 20 0 CDADMM Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737342807 575943740 /nfs/dbraw/zinc/94/37/40/575943740.db2.gz QKXJBLSLVSMVSP-UHFFFAOYSA-N -1 1 294.318 1.500 20 0 CDADMM O=C(C=C1CCCCC1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000765109520 575987622 /nfs/dbraw/zinc/98/76/22/575987622.db2.gz NBFDHSQFYIREMR-LBPRGKRZSA-N -1 1 275.356 1.796 20 0 CDADMM Clc1ccc(N2CCSCC2)nc1-c1nnn[n-]1 ZINC000737575365 575994273 /nfs/dbraw/zinc/99/42/73/575994273.db2.gz RSUOSXNADUGYTR-UHFFFAOYSA-N -1 1 282.760 1.468 20 0 CDADMM Clc1ccc(N2CCSCC2)nc1-c1nn[n-]n1 ZINC000737575365 575994275 /nfs/dbraw/zinc/99/42/75/575994275.db2.gz RSUOSXNADUGYTR-UHFFFAOYSA-N -1 1 282.760 1.468 20 0 CDADMM CC(C)[C@@H](C(=O)OCCCC(=O)[O-])N1CCCC1 ZINC000737607265 576001141 /nfs/dbraw/zinc/00/11/41/576001141.db2.gz JYOYWZCJKJJWFU-LBPRGKRZSA-N -1 1 257.330 1.515 20 0 CDADMM Cn1[n-]c(COC(=O)c2cc3cc(F)ccc3[nH]2)nc1=O ZINC000765411528 576018358 /nfs/dbraw/zinc/01/83/58/576018358.db2.gz ZZDOKMSZUKZZGP-UHFFFAOYSA-N -1 1 290.254 1.086 20 0 CDADMM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1ccc(CNCCF)cc1 ZINC001601781301 1175004390 /nfs/dbraw/zinc/00/43/90/1175004390.db2.gz NNKXGBZIIQTSIC-CHWSQXEVSA-N -1 1 294.326 1.083 20 0 CDADMM CC(C)[C@@H](C(=O)OCc1nc(=O)n(C)[n-]1)c1ccccc1 ZINC000765489632 576029526 /nfs/dbraw/zinc/02/95/26/576029526.db2.gz UMVYVWTYTPDTLU-CYBMUJFWSA-N -1 1 289.335 1.591 20 0 CDADMM Cc1nc2ccc(NC(=O)C(C)(C)NC(=O)[O-])cc2[nH]1 ZINC000738873470 576127743 /nfs/dbraw/zinc/12/77/43/576127743.db2.gz UTUSZVWVDLAJLU-UHFFFAOYSA-N -1 1 276.296 1.856 20 0 CDADMM CN(C)[C@@H](C(=O)[N-]OCC(F)(F)F)c1ccccc1 ZINC000766766732 576133001 /nfs/dbraw/zinc/13/30/01/576133001.db2.gz CRYOISVNRNCCCQ-SNVBAGLBSA-N -1 1 276.258 1.899 20 0 CDADMM O=C(NCCc1cccnc1)c1ccc([O-])c(F)c1 ZINC000767298675 576176919 /nfs/dbraw/zinc/17/69/19/576176919.db2.gz HCRHEFIPHNNWJS-UHFFFAOYSA-N -1 1 260.268 1.899 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CCCC[C@@H]1CCO ZINC000767303495 576177590 /nfs/dbraw/zinc/17/75/90/576177590.db2.gz ZKUNDODVLFCALH-LLVKDONJSA-N -1 1 267.300 1.908 20 0 CDADMM O=C(NCCCNc1ncccn1)c1ccc([O-])c(F)c1 ZINC000767921559 576238884 /nfs/dbraw/zinc/23/88/84/576238884.db2.gz ZQHWUOAFDCDGTK-UHFFFAOYSA-N -1 1 290.298 1.553 20 0 CDADMM O=C([O-])[C@@H]1CCN(Cc2nc(-c3ccoc3)no2)C1 ZINC000739599348 576264467 /nfs/dbraw/zinc/26/44/67/576264467.db2.gz XHXUZRUKXDFOFI-MRVPVSSYSA-N -1 1 263.253 1.236 20 0 CDADMM O=C([O-])c1ccccc1OCC[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000768767554 576307161 /nfs/dbraw/zinc/30/71/61/576307161.db2.gz INELGEBXFKLCEZ-JTQLQIEISA-N -1 1 279.292 1.170 20 0 CDADMM O=C([O-])[C@H]1CC[C@H](NCc2nc(C(F)F)no2)C1 ZINC001601796214 1175009786 /nfs/dbraw/zinc/00/97/86/1175009786.db2.gz 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/nfs/dbraw/zinc/11/24/31/605112431.db2.gz IWAZNSMWGNEPLJ-JXQTWKCFSA-N -1 1 296.411 1.676 20 0 CDADMM C[C@H](OC(=O)c1ccc2c(C=O)[nH]nc2c1)C(=O)[O-] ZINC000820189177 605138564 /nfs/dbraw/zinc/13/85/64/605138564.db2.gz CAEKEYKCAVBIAB-LURJTMIESA-N -1 1 262.221 1.005 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(F)cc2)CCN1CCC(=O)[O-] ZINC000833620237 605254224 /nfs/dbraw/zinc/25/42/24/605254224.db2.gz FWXNSTPCUZVIEP-LLVKDONJSA-N -1 1 294.326 1.447 20 0 CDADMM CC(C)(C)OC(=O)CCCCN1CCO[C@@H](C(=O)[O-])C1 ZINC000819915320 605371549 /nfs/dbraw/zinc/37/15/49/605371549.db2.gz ZFMBOKKSPVKQGI-LLVKDONJSA-N -1 1 287.356 1.284 20 0 CDADMM C(=Cc1ccncn1)c1nc(-c2nnn[n-]2)cs1 ZINC001602745389 1175382542 /nfs/dbraw/zinc/38/25/42/1175382542.db2.gz CYOBHFNYACVSDF-OWOJBTEDSA-N -1 1 257.282 1.284 20 0 CDADMM C(=Cc1ccncn1)c1nc(-c2nn[n-]n2)cs1 ZINC001602745389 1175382549 /nfs/dbraw/zinc/38/25/49/1175382549.db2.gz CYOBHFNYACVSDF-OWOJBTEDSA-N -1 1 257.282 1.284 20 0 CDADMM C[C@H]1C[C@@H](O)CN1Cc1cc(C(=O)[O-])ccc1Cl ZINC000833599004 605843696 /nfs/dbraw/zinc/84/36/96/605843696.db2.gz UUSGCJJGVPNUPB-GZMMTYOYSA-N -1 1 269.728 1.993 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccco1 ZINC000823294482 606195845 /nfs/dbraw/zinc/19/58/45/606195845.db2.gz CGOZNAAKPQQGFD-UHFFFAOYSA-N -1 1 271.236 1.418 20 0 CDADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)n(C)n1 ZINC000822209298 606507103 /nfs/dbraw/zinc/50/71/03/606507103.db2.gz BRLSQHPGQAKNEN-UHFFFAOYSA-N -1 1 289.324 1.222 20 0 CDADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)n(C)n1 ZINC000822209298 606507105 /nfs/dbraw/zinc/50/71/05/606507105.db2.gz BRLSQHPGQAKNEN-UHFFFAOYSA-N -1 1 289.324 1.222 20 0 CDADMM CSCCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821960835 606649558 /nfs/dbraw/zinc/64/95/58/606649558.db2.gz DIORBSYLDBCDQE-UHFFFAOYSA-N -1 1 279.325 1.058 20 0 CDADMM CSCCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821960835 606649559 /nfs/dbraw/zinc/64/95/59/606649559.db2.gz DIORBSYLDBCDQE-UHFFFAOYSA-N -1 1 279.325 1.058 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccccn1 ZINC000823436245 606653883 /nfs/dbraw/zinc/65/38/83/606653883.db2.gz NNKYQAHIOSADJD-UHFFFAOYSA-N -1 1 282.263 1.014 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccccn1 ZINC000823436245 606653884 /nfs/dbraw/zinc/65/38/84/606653884.db2.gz NNKYQAHIOSADJD-UHFFFAOYSA-N -1 1 282.263 1.014 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@@H]2CCC[C@H]3OCC[C@@H]32)n1 ZINC000823809676 606729893 /nfs/dbraw/zinc/72/98/93/606729893.db2.gz PIVPHHIJVGRKNC-OPRDCNLKSA-N -1 1 287.327 1.026 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@@H]2CCC[C@H]3OCC[C@@H]32)n1 ZINC000823809676 606729895 /nfs/dbraw/zinc/72/98/95/606729895.db2.gz PIVPHHIJVGRKNC-OPRDCNLKSA-N -1 1 287.327 1.026 20 0 CDADMM CCCC(C)=CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000821009513 606828534 /nfs/dbraw/zinc/82/85/34/606828534.db2.gz UJIPPVOSDDFVDU-ALCCZGGFSA-N -1 1 261.289 1.032 20 0 CDADMM FC1(F)CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC000822736586 607131088 /nfs/dbraw/zinc/13/10/88/607131088.db2.gz HKFPEMYFFTWEIQ-ZETCQYMHSA-N -1 1 281.270 1.647 20 0 CDADMM FC1(F)CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC000822736586 607131089 /nfs/dbraw/zinc/13/10/89/607131089.db2.gz HKFPEMYFFTWEIQ-ZETCQYMHSA-N -1 1 281.270 1.647 20 0 CDADMM CC[C@@H](C)NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000825067255 607863115 /nfs/dbraw/zinc/86/31/15/607863115.db2.gz IYCGMVHVHHSPIS-MRVPVSSYSA-N -1 1 293.302 1.299 20 0 CDADMM CC[C@@H](C)NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000825067255 607863116 /nfs/dbraw/zinc/86/31/16/607863116.db2.gz IYCGMVHVHHSPIS-MRVPVSSYSA-N -1 1 293.302 1.299 20 0 CDADMM NC(=O)c1cccc(Oc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826393765 607896794 /nfs/dbraw/zinc/89/67/94/607896794.db2.gz IQDZTCCLEJKFQF-UHFFFAOYSA-N -1 1 282.263 1.153 20 0 CDADMM NC(=O)c1cccc(Oc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826393765 607896795 /nfs/dbraw/zinc/89/67/95/607896795.db2.gz IQDZTCCLEJKFQF-UHFFFAOYSA-N -1 1 282.263 1.153 20 0 CDADMM Cc1ccccc1C(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000826306385 608012752 /nfs/dbraw/zinc/01/27/52/608012752.db2.gz XQLJMIBXQONADY-UHFFFAOYSA-N -1 1 268.280 1.255 20 0 CDADMM Cc1ccccc1C(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000826306385 608012753 /nfs/dbraw/zinc/01/27/53/608012753.db2.gz XQLJMIBXQONADY-UHFFFAOYSA-N -1 1 268.280 1.255 20 0 CDADMM CCOCCN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825594280 608240780 /nfs/dbraw/zinc/24/07/80/608240780.db2.gz JKDRQPKQEQKNDB-UHFFFAOYSA-N -1 1 288.764 1.449 20 0 CDADMM CCOCCN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825594280 608240782 /nfs/dbraw/zinc/24/07/82/608240782.db2.gz JKDRQPKQEQKNDB-UHFFFAOYSA-N -1 1 288.764 1.449 20 0 CDADMM Cc1cccc(Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826299770 608389041 /nfs/dbraw/zinc/38/90/41/608389041.db2.gz UQUYIPLYEOYKDZ-UHFFFAOYSA-N -1 1 253.269 1.709 20 0 CDADMM Cc1cccc(Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826299770 608389043 /nfs/dbraw/zinc/38/90/43/608389043.db2.gz UQUYIPLYEOYKDZ-UHFFFAOYSA-N -1 1 253.269 1.709 20 0 CDADMM C[C@@H](CCc1ccco1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824414308 608391113 /nfs/dbraw/zinc/39/11/13/608391113.db2.gz ZDFKDMJKQLKXLD-VIFPVBQESA-N -1 1 285.311 1.683 20 0 CDADMM C[C@@H](CCc1ccco1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824414308 608391115 /nfs/dbraw/zinc/39/11/15/608391115.db2.gz ZDFKDMJKQLKXLD-VIFPVBQESA-N -1 1 285.311 1.683 20 0 CDADMM CC(C)C[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000824243081 608407939 /nfs/dbraw/zinc/40/79/39/608407939.db2.gz CYEJUBSHFSYNJY-SNVBAGLBSA-N -1 1 273.344 1.672 20 0 CDADMM CC(C)C[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000824243081 608407940 /nfs/dbraw/zinc/40/79/40/608407940.db2.gz CYEJUBSHFSYNJY-SNVBAGLBSA-N -1 1 273.344 1.672 20 0 CDADMM CC1(C)CCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824801075 608428160 /nfs/dbraw/zinc/42/81/60/608428160.db2.gz ABFLDJAMTPJQAM-SECBINFHSA-N -1 1 259.317 1.647 20 0 CDADMM CC1(C)CCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824801075 608428159 /nfs/dbraw/zinc/42/81/59/608428159.db2.gz ABFLDJAMTPJQAM-SECBINFHSA-N -1 1 259.317 1.647 20 0 CDADMM CCCCCOC1CN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825276484 608430187 /nfs/dbraw/zinc/43/01/87/608430187.db2.gz YKFHOZJIDXAWIQ-UHFFFAOYSA-N -1 1 289.343 1.052 20 0 CDADMM CCCCCOC1CN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000825276484 608430188 /nfs/dbraw/zinc/43/01/88/608430188.db2.gz YKFHOZJIDXAWIQ-UHFFFAOYSA-N -1 1 289.343 1.052 20 0 CDADMM C[C@H]1CC(Nc2cccc(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC000824892494 608444121 /nfs/dbraw/zinc/44/41/21/608444121.db2.gz JFAKBAFRTRUIFB-IUCAKERBSA-N -1 1 274.328 1.630 20 0 CDADMM C[C@H]1CC(Nc2cccc(-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC000824892494 608444122 /nfs/dbraw/zinc/44/41/22/608444122.db2.gz JFAKBAFRTRUIFB-IUCAKERBSA-N -1 1 274.328 1.630 20 0 CDADMM CSC(C)(C)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826224334 608478270 /nfs/dbraw/zinc/47/82/70/608478270.db2.gz AKTUNQLHIXNZPC-UHFFFAOYSA-N -1 1 293.352 1.560 20 0 CDADMM CSC(C)(C)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826224334 608478271 /nfs/dbraw/zinc/47/82/71/608478271.db2.gz AKTUNQLHIXNZPC-UHFFFAOYSA-N -1 1 293.352 1.560 20 0 CDADMM CC(C)Oc1ccccc1Cn1ccnc1-c1nnn[n-]1 ZINC000824334465 608887331 /nfs/dbraw/zinc/88/73/31/608887331.db2.gz UZUGOSJNWIVTCT-UHFFFAOYSA-N -1 1 284.323 1.899 20 0 CDADMM CC(C)Oc1ccccc1Cn1ccnc1-c1nn[n-]n1 ZINC000824334465 608887333 /nfs/dbraw/zinc/88/73/33/608887333.db2.gz UZUGOSJNWIVTCT-UHFFFAOYSA-N -1 1 284.323 1.899 20 0 CDADMM Clc1cnc(Cn2ccnc2-c2nnn[n-]2)c(Cl)c1 ZINC000826353767 609181233 /nfs/dbraw/zinc/18/12/33/609181233.db2.gz CUCCHZGSLIWNSW-UHFFFAOYSA-N -1 1 296.121 1.813 20 0 CDADMM Clc1cnc(Cn2ccnc2-c2nn[n-]n2)c(Cl)c1 ZINC000826353767 609181235 /nfs/dbraw/zinc/18/12/35/609181235.db2.gz CUCCHZGSLIWNSW-UHFFFAOYSA-N -1 1 296.121 1.813 20 0 CDADMM CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824005413 609289935 /nfs/dbraw/zinc/28/99/35/609289935.db2.gz RANFMGSDLIXJNR-UHFFFAOYSA-N -1 1 287.258 1.150 20 0 CDADMM Cc1ccc(CCCn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000826287074 609486538 /nfs/dbraw/zinc/48/65/38/609486538.db2.gz BNRQAUFXITZYKF-UHFFFAOYSA-N -1 1 269.312 1.399 20 0 CDADMM C/C=C(/C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000937860120 613121026 /nfs/dbraw/zinc/12/10/26/613121026.db2.gz DGFHOQSVYHLKQC-CGXZDELUSA-N -1 1 289.335 1.084 20 0 CDADMM CCC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C[C@@H]1C ZINC000945290488 614431466 /nfs/dbraw/zinc/43/14/66/614431466.db2.gz UQRRKPPLGDLMMT-QWRGUYRKSA-N -1 1 291.351 1.164 20 0 CDADMM COCCC1(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CC1 ZINC000891621072 617508825 /nfs/dbraw/zinc/50/88/25/617508825.db2.gz FEIKWISZGHSRFP-UHFFFAOYSA-N -1 1 291.351 1.816 20 0 CDADMM CSC=CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891622510 617508957 /nfs/dbraw/zinc/50/89/57/617508957.db2.gz PFWZQENVLGNNIH-SREVYHEPSA-N -1 1 265.338 1.876 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cccnc1 ZINC000891632546 617515427 /nfs/dbraw/zinc/51/54/27/617515427.db2.gz SSXBHNYXKYQAAJ-UHFFFAOYSA-N -1 1 270.292 1.708 20 0 CDADMM CC[C@@H](C)C(=O)N1CCCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC000959885456 615410859 /nfs/dbraw/zinc/41/08/59/615410859.db2.gz BQANOTODLXMRIZ-MNOVXSKESA-N -1 1 295.387 1.027 20 0 CDADMM COCc1nc(NCCc2nc(C)cs2)cc(=O)[n-]1 ZINC000891707319 617547532 /nfs/dbraw/zinc/54/75/32/617547532.db2.gz QUGPMKVVFRPOSY-UHFFFAOYSA-N -1 1 280.353 1.748 20 0 CDADMM C[C@](O)(CNC(=O)c1ncccc1[O-])c1ccsc1 ZINC000131301259 617837682 /nfs/dbraw/zinc/83/76/82/617837682.db2.gz KYTMJNNOWXMSDQ-ZDUSSCGKSA-N -1 1 278.333 1.486 20 0 CDADMM COCc1nc(N2C[C@@H](C)O[C@@H](C3CC3)C2)cc(=O)[n-]1 ZINC000893595181 617637435 /nfs/dbraw/zinc/63/74/35/617637435.db2.gz UPALRIJKRAZNND-MWLCHTKSSA-N -1 1 279.340 1.332 20 0 CDADMM O=C(OC[C@@H]1CCCO1)c1nn(-c2ccccc2)cc1[O-] ZINC000925267437 620741230 /nfs/dbraw/zinc/74/12/30/620741230.db2.gz HYCKANPZZJNGEG-LBPRGKRZSA-N -1 1 288.303 1.914 20 0 CDADMM CCc1nc(CN2C[C@H](C(=O)[O-])[C@H](C)C2)cs1 ZINC000223823138 617765249 /nfs/dbraw/zinc/76/52/49/617765249.db2.gz YSJGQOKVRVSYHV-SCZZXKLOSA-N -1 1 254.355 1.858 20 0 CDADMM CO[C@@H]1CC[C@H]1N(C)C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000889346433 617868888 /nfs/dbraw/zinc/86/88/88/617868888.db2.gz NQAYYIHTQUZKNO-GHMZBOCLSA-N -1 1 293.367 1.863 20 0 CDADMM CN(C(=O)[C@@H](c1ccccc1)C1CC1)c1nn[n-]n1 ZINC000892954678 617976892 /nfs/dbraw/zinc/97/68/92/617976892.db2.gz 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Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCOC(C)(C)C2)n1 ZINC001605573525 1163613401 /nfs/dbraw/zinc/61/34/01/1163613401.db2.gz YQPLBVCLROIHLE-VIFPVBQESA-N -1 1 289.343 1.335 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCOC(C)(C)C2)n1 ZINC001605573525 1163613405 /nfs/dbraw/zinc/61/34/05/1163613405.db2.gz YQPLBVCLROIHLE-VIFPVBQESA-N -1 1 289.343 1.335 20 0 CDADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cs1 ZINC001605716340 1163647898 /nfs/dbraw/zinc/64/78/98/1163647898.db2.gz GAFVFIAROLPAOC-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cs1 ZINC001605716340 1163647903 /nfs/dbraw/zinc/64/79/03/1163647903.db2.gz GAFVFIAROLPAOC-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM Cc1cc(N[C@@H]2CO[C@H](C)C2)nc(-c2nnn[n-]2)c1 ZINC001605724418 1163652428 /nfs/dbraw/zinc/65/24/28/1163652428.db2.gz WVURPKXPBAJICW-BDAKNGLRSA-N -1 1 260.301 1.159 20 0 CDADMM Cc1cc(N[C@@H]2CO[C@H](C)C2)nc(-c2nn[n-]n2)c1 ZINC001605724418 1163652431 /nfs/dbraw/zinc/65/24/31/1163652431.db2.gz WVURPKXPBAJICW-BDAKNGLRSA-N -1 1 260.301 1.159 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCc1ccn(C(C)C)n1 ZINC001605805422 1163676994 /nfs/dbraw/zinc/67/69/94/1163676994.db2.gz SRPVRXPSIWYMBI-UHFFFAOYSA-N -1 1 298.354 1.960 20 0 CDADMM CCc1nnc(COC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)[nH]1 ZINC001605853298 1163690747 /nfs/dbraw/zinc/69/07/47/1163690747.db2.gz YPYRTDYKZBZVGI-IUCAKERBSA-N -1 1 281.312 1.301 20 0 CDADMM Cc1cccc(CCCOc2cnc(-c3nn[n-]n3)nc2)c1 ZINC001605911156 1163712240 /nfs/dbraw/zinc/71/22/40/1163712240.db2.gz BBPMCLQJWYEMDF-UHFFFAOYSA-N -1 1 296.334 1.977 20 0 CDADMM CCn1nncc1CNCc1ccsc1C(=O)[O-] ZINC001605947138 1163723797 /nfs/dbraw/zinc/72/37/97/1163723797.db2.gz WVANKSBHGZYIDB-UHFFFAOYSA-N -1 1 266.326 1.348 20 0 CDADMM Cc1[nH]nc(NC(=O)C[C@@H]2CC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001606012906 1163744193 /nfs/dbraw/zinc/74/41/93/1163744193.db2.gz AMCZOZSBEIPTJK-VXNVDRBHSA-N -1 1 289.343 1.663 20 0 CDADMM Cc1[nH]nc(NC(=O)C(C)(C)C(C)(C)C)c1-c1nn[n-]n1 ZINC001606013844 1163744616 /nfs/dbraw/zinc/74/46/16/1163744616.db2.gz XVCBSNOETSURBN-UHFFFAOYSA-N -1 1 291.359 1.909 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1cccnc1C ZINC001606098292 1163771797 /nfs/dbraw/zinc/77/17/97/1163771797.db2.gz MZWSBDYVOWVYOR-UHFFFAOYSA-N -1 1 298.306 1.402 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1cccnc1C ZINC001606098292 1163771801 /nfs/dbraw/zinc/77/18/01/1163771801.db2.gz MZWSBDYVOWVYOR-UHFFFAOYSA-N -1 1 298.306 1.402 20 0 CDADMM Cc1nnc(SCc2ccc(-c3nn[n-]n3)s2)o1 ZINC001606124055 1163779380 /nfs/dbraw/zinc/77/93/80/1163779380.db2.gz MXDYUXDJZNNSDB-UHFFFAOYSA-N -1 1 280.338 1.912 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1cccs1 ZINC001606168467 1163795718 /nfs/dbraw/zinc/79/57/18/1163795718.db2.gz HWMRONFCKWYWEJ-UHFFFAOYSA-N -1 1 289.320 1.760 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1cccs1 ZINC001606168467 1163795725 /nfs/dbraw/zinc/79/57/25/1163795725.db2.gz HWMRONFCKWYWEJ-UHFFFAOYSA-N -1 1 289.320 1.760 20 0 CDADMM Clc1ccc2c(c1)CN(c1ncncc1-c1nn[n-]n1)C2 ZINC001606193280 1163802838 /nfs/dbraw/zinc/80/28/38/1163802838.db2.gz VYDNMKZNLRMIHS-UHFFFAOYSA-N -1 1 299.725 1.830 20 0 CDADMM CN(CC1CN(C)C1)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001606202868 1163805750 /nfs/dbraw/zinc/80/57/50/1163805750.db2.gz JUIVCBRVRQIYLC-XQRVVYSFSA-N -1 1 278.308 1.011 20 0 CDADMM COC(=O)[C@@H]1CCN(Cc2cccc(C(=O)[O-])n2)C[C@@H]1C ZINC001606507194 1163919152 /nfs/dbraw/zinc/91/91/52/1163919152.db2.gz VWQYMZCEGLZGSV-CMPLNLGQSA-N -1 1 292.335 1.411 20 0 CDADMM O=C(NC[C@H]1CC=CCC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606723250 1163971428 /nfs/dbraw/zinc/97/14/28/1163971428.db2.gz OWKGUTYIPDMDRX-JTQLQIEISA-N -1 1 299.338 1.740 20 0 CDADMM O=C(NC[C@H]1CC=CCC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606723250 1163971434 /nfs/dbraw/zinc/97/14/34/1163971434.db2.gz OWKGUTYIPDMDRX-JTQLQIEISA-N -1 1 299.338 1.740 20 0 CDADMM O=C(NCCC1CCOCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001606764849 1163987539 /nfs/dbraw/zinc/98/75/39/1163987539.db2.gz WDVODAMHYQNZHV-UHFFFAOYSA-N -1 1 291.311 1.006 20 0 CDADMM O=C(NCCC1CCOCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001606764849 1163987544 /nfs/dbraw/zinc/98/75/44/1163987544.db2.gz WDVODAMHYQNZHV-UHFFFAOYSA-N -1 1 291.311 1.006 20 0 CDADMM O=C(N[C@@H]1C[C@H]1C1CCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001606875979 1164023051 /nfs/dbraw/zinc/02/30/51/1164023051.db2.gz HHJCLQJAYAUBNX-JOYOIKCWSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(N[C@@H]1C[C@H]1C1CCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001606875979 1164023056 /nfs/dbraw/zinc/02/30/56/1164023056.db2.gz HHJCLQJAYAUBNX-JOYOIKCWSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)C1(C2CC2)CC1 ZINC001606952689 1164036553 /nfs/dbraw/zinc/03/65/53/1164036553.db2.gz HGPCMVZKPASRCT-UHFFFAOYSA-N -1 1 276.325 1.452 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)C1(C2CC2)CC1 ZINC001606952689 1164036560 /nfs/dbraw/zinc/03/65/60/1164036560.db2.gz HGPCMVZKPASRCT-UHFFFAOYSA-N -1 1 276.325 1.452 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)C1=CCCCC1 ZINC001606981823 1164047229 /nfs/dbraw/zinc/04/72/29/1164047229.db2.gz HEZUYIDLYWIYLK-UHFFFAOYSA-N -1 1 285.307 1.805 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)C1=CCCCC1 ZINC001606981823 1164047234 /nfs/dbraw/zinc/04/72/34/1164047234.db2.gz HEZUYIDLYWIYLK-UHFFFAOYSA-N -1 1 285.307 1.805 20 0 CDADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@H]2C[C@H]21 ZINC001607022706 1164063717 /nfs/dbraw/zinc/06/37/17/1164063717.db2.gz ZQTNXIJTECAFDV-GZMMTYOYSA-N -1 1 287.298 1.630 20 0 CDADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@H]2C[C@H]21 ZINC001607022706 1164063722 /nfs/dbraw/zinc/06/37/22/1164063722.db2.gz ZQTNXIJTECAFDV-GZMMTYOYSA-N -1 1 287.298 1.630 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1C/C(Cl)=C/Cl ZINC001607090950 1164077435 /nfs/dbraw/zinc/07/74/35/1164077435.db2.gz DQDSXALSDPTWTF-CLTKARDFSA-N -1 1 272.095 1.347 20 0 CDADMM c1cn(CCSCc2nc(-c3nn[n-]n3)cs2)cn1 ZINC001607132822 1164107211 /nfs/dbraw/zinc/10/72/11/1164107211.db2.gz DBLCROQVLWYVJN-UHFFFAOYSA-N -1 1 293.381 1.453 20 0 CDADMM c1ccc(OCCNc2cccnc2-c2nnn[n-]2)cc1 ZINC001607130541 1164111033 /nfs/dbraw/zinc/11/10/33/1164111033.db2.gz ANBTXWSKRJEHML-UHFFFAOYSA-N -1 1 282.307 1.753 20 0 CDADMM c1ccc(OCCNc2cccnc2-c2nn[n-]n2)cc1 ZINC001607130541 1164111037 /nfs/dbraw/zinc/11/10/37/1164111037.db2.gz ANBTXWSKRJEHML-UHFFFAOYSA-N -1 1 282.307 1.753 20 0 CDADMM c1cncc([C@@H]2CCN(c3cc(-c4nnn[n-]4)ncn3)C2)c1 ZINC001607136067 1164114848 /nfs/dbraw/zinc/11/48/48/1164114848.db2.gz MBGJWIDZTYTWSD-LLVKDONJSA-N -1 1 294.322 1.046 20 0 CDADMM c1cncc([C@@H]2CCN(c3cc(-c4nn[n-]n4)ncn3)C2)c1 ZINC001607136067 1164114851 /nfs/dbraw/zinc/11/48/51/1164114851.db2.gz MBGJWIDZTYTWSD-LLVKDONJSA-N -1 1 294.322 1.046 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NCC[C@@H]1CCCCO1 ZINC001607136610 1164116328 /nfs/dbraw/zinc/11/63/28/1164116328.db2.gz LSJINVBDEPNPFF-VIFPVBQESA-N -1 1 275.316 1.028 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NCC[C@@H]1CCCCO1 ZINC001607136610 1164116331 /nfs/dbraw/zinc/11/63/31/1164116331.db2.gz LSJINVBDEPNPFF-VIFPVBQESA-N -1 1 275.316 1.028 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1SC[C@@H]1C[C@H]2C[C@H]2C1 ZINC001607138457 1164118940 /nfs/dbraw/zinc/11/89/40/1164118940.db2.gz FVQRMAKABXCKIZ-AYMMMOKOSA-N -1 1 274.353 1.795 20 0 CDADMM c1ncc(N2C[C@H](C3CC3)C[C@@H]2C2CC2)nc1-c1nnn[n-]1 ZINC001607139153 1164120748 /nfs/dbraw/zinc/12/07/48/1164120748.db2.gz WWFBKNPBDYFZFQ-DGCLKSJQSA-N -1 1 297.366 1.672 20 0 CDADMM c1ncc(N2C[C@H](C3CC3)C[C@@H]2C2CC2)nc1-c1nn[n-]n1 ZINC001607139153 1164120751 /nfs/dbraw/zinc/12/07/51/1164120751.db2.gz WWFBKNPBDYFZFQ-DGCLKSJQSA-N -1 1 297.366 1.672 20 0 CDADMM COc1ccc([C@H](NCC2=NOCC2)C(=O)[O-])cc1Cl ZINC001607232203 1164134003 /nfs/dbraw/zinc/13/40/03/1164134003.db2.gz AUTVPEBEORKNBO-LBPRGKRZSA-N -1 1 298.726 1.840 20 0 CDADMM COc1ccc(CN2CC[C@]3(CC(C(=O)[O-])=NO3)C2)cc1 ZINC001607254339 1164138083 /nfs/dbraw/zinc/13/80/83/1164138083.db2.gz UHWJAMWTUOZGMW-HNNXBMFYSA-N -1 1 290.319 1.501 20 0 CDADMM Cc1n[nH]c(CN(CCC(=O)[O-])C[C@H]2CCCO2)c1C ZINC001607500742 1164210010 /nfs/dbraw/zinc/21/00/10/1164210010.db2.gz WZHQYWCJVXTKFO-GFCCVEGCSA-N -1 1 281.356 1.482 20 0 CDADMM Cc1c(C(=O)[O-])cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)n1C ZINC001607511715 1164214883 /nfs/dbraw/zinc/21/48/83/1164214883.db2.gz MHPXTJPXCIKFQS-CABZTGNLSA-N -1 1 294.351 1.574 20 0 CDADMM Cc1nnc(CN2CC[C@@](C(=O)[O-])(c3ccccc3)C2)[nH]1 ZINC001607937053 1164344612 /nfs/dbraw/zinc/34/46/12/1164344612.db2.gz RFKOSZPEJWXXEW-HNNXBMFYSA-N -1 1 286.335 1.341 20 0 CDADMM Cc1nc([C@H]2CCCN2C[C@@](C)(O)C(=O)[O-])cs1 ZINC001607967525 1164356755 /nfs/dbraw/zinc/35/67/55/1164356755.db2.gz MRTULQHITMCUJB-ZYHUDNBSSA-N -1 1 270.354 1.424 20 0 CDADMM Cn1c(=O)c(CN[C@@H](CF)C(=O)[O-])cc2ccccc21 ZINC001608076210 1164401538 /nfs/dbraw/zinc/40/15/38/1164401538.db2.gz MSSIARHINPQADG-NSHDSACASA-N -1 1 278.283 1.051 20 0 CDADMM Cn1ncc(C2CC2)c1CNCc1ccc(C(=O)[O-])[nH]1 ZINC001608156997 1164428748 /nfs/dbraw/zinc/42/87/48/1164428748.db2.gz GDDOKLMKEHLUIY-UHFFFAOYSA-N -1 1 274.324 1.614 20 0 CDADMM O=C([O-])[C@H](CF)NCc1c[nH]nc1-c1ccccc1 ZINC001608535579 1164536219 /nfs/dbraw/zinc/53/62/19/1164536219.db2.gz YDHUYQAWWNYZKW-NSHDSACASA-N -1 1 263.272 1.589 20 0 CDADMM O=C([O-])[C@@H](NCc1nnc[nH]1)c1cccc2ccccc21 ZINC001608550851 1164543273 /nfs/dbraw/zinc/54/32/73/1164543273.db2.gz FDHYELFZJLPXFP-AWEZNQCLSA-N -1 1 282.303 1.873 20 0 CDADMM O=C([O-])c1c[nH]c(=O)c(NC(=O)c2cccc(F)c2O)c1 ZINC001608831825 1164655400 /nfs/dbraw/zinc/65/54/00/1164655400.db2.gz TZSAFUUKEFLBQM-UHFFFAOYSA-N -1 1 292.222 1.582 20 0 CDADMM O=C([O-])c1cnc(CN[C@H](CO)CC2CC2)s1 ZINC001608972017 1164697826 /nfs/dbraw/zinc/69/78/26/1164697826.db2.gz HGBKHQSUSVSNCI-QMMMGPOBSA-N -1 1 256.327 1.092 20 0 CDADMM CCO[N-]C(=O)CNc1ccncc1C(F)(F)F ZINC000865908991 1164707748 /nfs/dbraw/zinc/70/77/48/1164707748.db2.gz WUMXGHBQFWFKSI-UHFFFAOYSA-N -1 1 263.219 1.002 20 0 CDADMM CC(C)OC1CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001609101047 1164771014 /nfs/dbraw/zinc/77/10/14/1164771014.db2.gz RQDPNQQZZWJKOD-UHFFFAOYSA-N -1 1 288.355 1.656 20 0 CDADMM CC(C)OC1CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001609101047 1164771021 /nfs/dbraw/zinc/77/10/21/1164771021.db2.gz RQDPNQQZZWJKOD-UHFFFAOYSA-N -1 1 288.355 1.656 20 0 CDADMM C[C@H](O)CCCOC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001609129146 1164787347 /nfs/dbraw/zinc/78/73/47/1164787347.db2.gz LGLGYXWIALYOFA-ZETCQYMHSA-N -1 1 282.325 1.246 20 0 CDADMM C[C@H](O)CCCOC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609129146 1164787354 /nfs/dbraw/zinc/78/73/54/1164787354.db2.gz LGLGYXWIALYOFA-ZETCQYMHSA-N -1 1 282.325 1.246 20 0 CDADMM CC1(C)CC[C@@H](OC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001609144787 1164791817 /nfs/dbraw/zinc/79/18/17/1164791817.db2.gz NDPGHAAGLVNOKI-SNVBAGLBSA-N -1 1 287.323 1.997 20 0 CDADMM CC1(C)CC[C@@H](OC(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001609144787 1164791825 /nfs/dbraw/zinc/79/18/25/1164791825.db2.gz NDPGHAAGLVNOKI-SNVBAGLBSA-N -1 1 287.323 1.997 20 0 CDADMM C[C@]1(CNc2ccnc(-c3nnn[n-]3)c2)CCCC[C@H]1O ZINC001609149478 1164796634 /nfs/dbraw/zinc/79/66/34/1164796634.db2.gz NYWZPAPPFDIZDZ-TZMCWYRMSA-N -1 1 288.355 1.037 20 0 CDADMM C[C@]1(CNc2ccnc(-c3nn[n-]n3)c2)CCCC[C@H]1O ZINC001609149478 1164796641 /nfs/dbraw/zinc/79/66/41/1164796641.db2.gz NYWZPAPPFDIZDZ-TZMCWYRMSA-N -1 1 288.355 1.037 20 0 CDADMM C[C@H]1C[C@H](CCNc2cccnc2-c2nnn[n-]2)CCO1 ZINC001609156122 1164802189 /nfs/dbraw/zinc/80/21/89/1164802189.db2.gz CGBSFBRQDYHFCG-WDEREUQCSA-N -1 1 288.355 1.879 20 0 CDADMM C[C@H]1C[C@H](CCNc2cccnc2-c2nn[n-]n2)CCO1 ZINC001609156122 1164802194 /nfs/dbraw/zinc/80/21/94/1164802194.db2.gz CGBSFBRQDYHFCG-WDEREUQCSA-N -1 1 288.355 1.879 20 0 CDADMM CC[C@@H]1C[C@H](C)CN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609198651 1164839686 /nfs/dbraw/zinc/83/96/86/1164839686.db2.gz GKOUQGHVYSDDLN-WCBMZHEXSA-N -1 1 273.344 1.590 20 0 CDADMM CC[C@@H]1C[C@H](C)CN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609198651 1164839689 /nfs/dbraw/zinc/83/96/89/1164839689.db2.gz GKOUQGHVYSDDLN-WCBMZHEXSA-N -1 1 273.344 1.590 20 0 CDADMM CCC[C@@H]1CN(c2cc(C)nc(-c3nnn[n-]3)c2)CCO1 ZINC001609207883 1164847455 /nfs/dbraw/zinc/84/74/55/1164847455.db2.gz XMYSKDIMEIVTBA-GFCCVEGCSA-N -1 1 288.355 1.575 20 0 CDADMM CCC[C@@H]1CN(c2cc(C)nc(-c3nn[n-]n3)c2)CCO1 ZINC001609207883 1164847463 /nfs/dbraw/zinc/84/74/63/1164847463.db2.gz XMYSKDIMEIVTBA-GFCCVEGCSA-N -1 1 288.355 1.575 20 0 CDADMM CO[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001609310011 1164889630 /nfs/dbraw/zinc/88/96/30/1164889630.db2.gz AQRUIQFELXBZOY-LBPRGKRZSA-N -1 1 297.322 1.456 20 0 CDADMM CO[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001609310011 1164889638 /nfs/dbraw/zinc/88/96/38/1164889638.db2.gz AQRUIQFELXBZOY-LBPRGKRZSA-N -1 1 297.322 1.456 20 0 CDADMM Cc1cc(NC[C@@H]2CCSC2)cc(-c2nnn[n-]2)n1 ZINC001609409657 1164935185 /nfs/dbraw/zinc/93/51/85/1164935185.db2.gz SDMDLIHGKDZMJJ-VIFPVBQESA-N -1 1 276.369 1.735 20 0 CDADMM Cc1cc(NC[C@@H]2CCSC2)cc(-c2nn[n-]n2)n1 ZINC001609409657 1164935194 /nfs/dbraw/zinc/93/51/94/1164935194.db2.gz SDMDLIHGKDZMJJ-VIFPVBQESA-N -1 1 276.369 1.735 20 0 CDADMM Cc1cc(NCc2ccc(F)cn2)cc(-c2nnn[n-]2)n1 ZINC001609410761 1164938454 /nfs/dbraw/zinc/93/84/54/1164938454.db2.gz XRIBLGNRJXAFRB-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1cc(NCc2ccc(F)cn2)cc(-c2nn[n-]n2)n1 ZINC001609410761 1164938460 /nfs/dbraw/zinc/93/84/60/1164938460.db2.gz XRIBLGNRJXAFRB-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1cccc(C(=O)OCc2cccnc2-c2nnn[n-]2)c1 ZINC001609430232 1164943907 /nfs/dbraw/zinc/94/39/07/1164943907.db2.gz HSWSLMUZQPBEHN-UHFFFAOYSA-N -1 1 295.302 1.927 20 0 CDADMM Cc1cccc(C(=O)OCc2cccnc2-c2nn[n-]n2)c1 ZINC001609430232 1164943916 /nfs/dbraw/zinc/94/39/16/1164943916.db2.gz HSWSLMUZQPBEHN-UHFFFAOYSA-N -1 1 295.302 1.927 20 0 CDADMM Cc1cccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001609431870 1164945103 /nfs/dbraw/zinc/94/51/03/1164945103.db2.gz NKVIHXMJPGIIEF-UHFFFAOYSA-N -1 1 284.279 1.440 20 0 CDADMM Cc1[nH]nc(NC(=O)C(C)(C)CC(C)C)c1-c1nn[n-]n1 ZINC001609444057 1164950593 /nfs/dbraw/zinc/95/05/93/1164950593.db2.gz HLVWRQVJHGSXGB-UHFFFAOYSA-N -1 1 291.359 1.909 20 0 CDADMM Cc1ncc(CCNc2ncncc2-c2nn[n-]n2)s1 ZINC001609455469 1164958490 /nfs/dbraw/zinc/95/84/90/1164958490.db2.gz ZCHCQPLVQVXCEK-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM Cc1nsc(NCCC(F)(F)F)c1-c1nn[n-]n1 ZINC001609466100 1164962100 /nfs/dbraw/zinc/96/21/00/1164962100.db2.gz CRRZFRIYPJFNRI-UHFFFAOYSA-N -1 1 278.263 1.996 20 0 CDADMM Cc1nsc(N2C[C@H](C)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001609463747 1164962189 /nfs/dbraw/zinc/96/21/89/1164962189.db2.gz FZKIPNUZTMZFEQ-BQBZGAKWSA-N -1 1 264.358 1.724 20 0 CDADMM O=C(N[C@H](C1CC1)C1CCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001609539247 1164982304 /nfs/dbraw/zinc/98/23/04/1164982304.db2.gz UZIDJWMCWAWOQA-ZDUSSCGKSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(N[C@H](C1CC1)C1CCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001609539247 1164982308 /nfs/dbraw/zinc/98/23/08/1164982308.db2.gz UZIDJWMCWAWOQA-ZDUSSCGKSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(Nc1cccc(O)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC001609567360 1164990145 /nfs/dbraw/zinc/99/01/45/1164990145.db2.gz GJVWKRFQOYRFTJ-UHFFFAOYSA-N -1 1 299.265 1.964 20 0 CDADMM O=C(Nc1cccc(O)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC001609567360 1164990153 /nfs/dbraw/zinc/99/01/53/1164990153.db2.gz GJVWKRFQOYRFTJ-UHFFFAOYSA-N -1 1 299.265 1.964 20 0 CDADMM Oc1cccc(Sc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001609611516 1165005887 /nfs/dbraw/zinc/00/58/87/1165005887.db2.gz GWGZYENPOUMSFV-UHFFFAOYSA-N -1 1 272.293 1.514 20 0 CDADMM CCC(C)(C)C(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F ZINC000869377615 1165056847 /nfs/dbraw/zinc/05/68/47/1165056847.db2.gz FFSMOLRRGXLBJI-UHFFFAOYSA-N -1 1 297.273 1.604 20 0 CDADMM CC[C@@H](C(=O)[O-])C(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC001609888281 1165130414 /nfs/dbraw/zinc/13/04/14/1165130414.db2.gz ZQRFZFZJKJCOGO-CQSZACIVSA-N -1 1 290.363 1.440 20 0 CDADMM COC[C@@H](NCc1cccc(C(=O)[O-])n1)[C@@H]1CCCO1 ZINC001610251294 1165273420 /nfs/dbraw/zinc/27/34/20/1165273420.db2.gz SKOAPFUPWJUHGN-OLZOCXBDSA-N -1 1 280.324 1.063 20 0 CDADMM O=C(Nc1ccncc1[O-])c1cccc(Cn2cncn2)c1 ZINC001610374397 1165299240 /nfs/dbraw/zinc/29/92/40/1165299240.db2.gz XIOQOEXSKZBEOV-UHFFFAOYSA-N -1 1 295.302 1.101 20 0 CDADMM Cc1cccc(CCN2CC[C@](F)(C(=O)[O-])C2)n1 ZINC001610521347 1165336800 /nfs/dbraw/zinc/33/68/00/1165336800.db2.gz SMPDIHSLEALFDB-CYBMUJFWSA-N -1 1 252.289 1.431 20 0 CDADMM O=C([O-])[C@H](NCC(=O)Nc1cccc2cccnc21)C1CC1 ZINC001610665227 1165401957 /nfs/dbraw/zinc/40/19/57/1165401957.db2.gz GDMACBMLJJGIPW-OAHLLOKOSA-N -1 1 299.330 1.626 20 0 CDADMM O=C([O-])CC1(COC(=O)Cc2[nH]nc3ccccc32)CC1 ZINC001610754676 1165429565 /nfs/dbraw/zinc/42/95/65/1165429565.db2.gz ADJAMMWLLXSHSQ-UHFFFAOYSA-N -1 1 288.303 1.904 20 0 CDADMM O=C([O-])c1ccc(Cl)c(CN2CCc3n[nH]nc3C2)c1 ZINC001610830759 1165457825 /nfs/dbraw/zinc/45/78/25/1165457825.db2.gz BLZFERPCPGODPQ-UHFFFAOYSA-N -1 1 292.726 1.715 20 0 CDADMM CCCCS(=O)(=O)[N-]c1cccc2c1OCC(=O)N2 ZINC000036126549 1165747855 /nfs/dbraw/zinc/74/78/55/1165747855.db2.gz MJKIKEWYIGVEJQ-UHFFFAOYSA-N -1 1 284.337 1.559 20 0 CDADMM O=C(CCCc1nn[n-]n1)Nc1cccc(-c2cnco2)c1 ZINC001625149928 1165888715 /nfs/dbraw/zinc/88/87/15/1165888715.db2.gz IYGTUKMMAWOGFU-UHFFFAOYSA-N -1 1 298.306 1.816 20 0 CDADMM O=[N+]([O-])c1cccc(Oc2ncccc2-c2nn[n-]n2)c1 ZINC000095221659 1166611707 /nfs/dbraw/zinc/61/17/07/1166611707.db2.gz GFJYVCSQQWUZFE-UHFFFAOYSA-N -1 1 284.235 1.962 20 0 CDADMM O=C(C=Cc1cccnc1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000050603691 1166670418 /nfs/dbraw/zinc/67/04/18/1166670418.db2.gz OXTPVBJFBKPHAU-ONEGZZNKSA-N -1 1 283.213 1.870 20 0 CDADMM CN(Cc1n[n-]c(=O)o1)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC001638805907 1166874982 /nfs/dbraw/zinc/87/49/82/1166874982.db2.gz KWLNVODJCHGCSY-UHFFFAOYSA-N -1 1 299.290 1.438 20 0 CDADMM CC(C)c1cc(=O)n(-c2ccc(S(=O)(=O)[O-])cc2)[nH]1 ZINC001245918063 1167409350 /nfs/dbraw/zinc/40/93/50/1167409350.db2.gz UYOFMQQJMWJNJP-UHFFFAOYSA-N -1 1 282.321 1.948 20 0 CDADMM CC(C)(C)C[C@H](O)C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001645627406 1167442238 /nfs/dbraw/zinc/44/22/38/1167442238.db2.gz WCJFRXKJJUBGBT-LBPRGKRZSA-N -1 1 296.319 1.621 20 0 CDADMM O=C([O-])[C@H]1CCCN(CC(=O)Nc2cccc(O)c2)C1 ZINC001646259336 1167728568 /nfs/dbraw/zinc/72/85/68/1167728568.db2.gz JORVFZRLZTZWSX-JTQLQIEISA-N -1 1 278.308 1.127 20 0 CDADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CO[C@H](C)C1 ZINC001647246546 1168486978 /nfs/dbraw/zinc/48/69/78/1168486978.db2.gz JXFHZXHUHMQGIK-SVRRBLITSA-N -1 1 283.353 1.120 20 0 CDADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC[C@@H](n2cccn2)C1 ZINC001647419480 1168672473 /nfs/dbraw/zinc/67/24/73/1168672473.db2.gz SHKUKCLPYRQKDF-LLVKDONJSA-N -1 1 299.334 1.343 20 0 CDADMM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)Cc1ccn[nH]1 ZINC001647422791 1168675060 /nfs/dbraw/zinc/67/50/60/1168675060.db2.gz XDQFZZLZJJFDHP-LLVKDONJSA-N -1 1 287.319 1.454 20 0 CDADMM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)CCN1CC[C@@H](F)C1 ZINC001573603260 1170704833 /nfs/dbraw/zinc/70/48/33/1170704833.db2.gz ZGBWAEWFLFUBIF-SUNKGSAMSA-N -1 1 286.347 1.180 20 0 CDADMM Cc1cc(CCC(=O)NC[C@](C)(CC(C)C)C(=O)[O-])n[nH]1 ZINC001574134988 1170891273 /nfs/dbraw/zinc/89/12/73/1170891273.db2.gz OUAMDQREAPJFNJ-HNNXBMFYSA-N -1 1 295.383 1.904 20 0 CDADMM Cc1cnc(CN2C3CCC(CC3)[C@H]2C(=O)[O-])nc1 ZINC001574172926 1170905068 /nfs/dbraw/zinc/90/50/68/1170905068.db2.gz KOTQDVMBZICLDW-XIVSLSHWSA-N -1 1 261.325 1.613 20 0 CDADMM CN(C[C@@H]1CCOC1)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001579102049 1172095624 /nfs/dbraw/zinc/09/56/24/1172095624.db2.gz OINNLKUYIOQJAY-QMMMGPOBSA-N -1 1 293.352 1.037 20 0 CDADMM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)ns1 ZINC001580887172 1172564812 /nfs/dbraw/zinc/56/48/12/1172564812.db2.gz SSRAZBAZTBRBMP-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)ns1 ZINC001580887172 1172564816 /nfs/dbraw/zinc/56/48/16/1172564816.db2.gz SSRAZBAZTBRBMP-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001581727483 1172619012 /nfs/dbraw/zinc/61/90/12/1172619012.db2.gz ZGXRXPHNKKXROJ-DVVUODLYSA-N -1 1 287.323 1.687 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001581727483 1172619016 /nfs/dbraw/zinc/61/90/16/1172619016.db2.gz ZGXRXPHNKKXROJ-DVVUODLYSA-N -1 1 287.323 1.687 20 0 CDADMM O=C(NC/C=C/Cl)c1cccc(F)c1-c1nnn[n-]1 ZINC001582493208 1172678293 /nfs/dbraw/zinc/67/82/93/1172678293.db2.gz VJEIMLGLRDIPKB-GORDUTHDSA-N -1 1 281.678 1.488 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCC=CO1 ZINC001582633644 1172684507 /nfs/dbraw/zinc/68/45/07/1172684507.db2.gz APFKDWVPRZTLEB-LLVKDONJSA-N -1 1 287.279 1.204 20 0 CDADMM Cc1ccc2oc(C(=O)N(C)c3nn[n-]n3)cc2c1 ZINC001586262541 1172938258 /nfs/dbraw/zinc/93/82/58/1172938258.db2.gz XDGBFQDHDWCOKO-UHFFFAOYSA-N -1 1 257.253 1.531 20 0 CDADMM O=C(Nc1nnn[n-]1)c1ccccc1NCc1cccnc1 ZINC001586746910 1172958257 /nfs/dbraw/zinc/95/82/57/1172958257.db2.gz SWDRAXKUIYDCJD-UHFFFAOYSA-N -1 1 295.306 1.459 20 0 CDADMM O=C(Nc1nn[n-]n1)c1ccccc1NCc1cccnc1 ZINC001586746910 1172958261 /nfs/dbraw/zinc/95/82/61/1172958261.db2.gz SWDRAXKUIYDCJD-UHFFFAOYSA-N -1 1 295.306 1.459 20 0 CDADMM CN(C(=O)c1cccc(F)c1Cl)c1nn[n-]n1 ZINC001587339467 1172982125 /nfs/dbraw/zinc/98/21/25/1172982125.db2.gz GUTVKPVRHKIAFO-UHFFFAOYSA-N -1 1 255.640 1.269 20 0 CDADMM CC(=O)c1cccc(CNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001588920694 1173112977 /nfs/dbraw/zinc/11/29/77/1173112977.db2.gz UXLPEJCITPRYSL-UHFFFAOYSA-N -1 1 294.318 1.498 20 0 CDADMM CC(=O)c1cccc(CNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001588920694 1173112984 /nfs/dbraw/zinc/11/29/84/1173112984.db2.gz UXLPEJCITPRYSL-UHFFFAOYSA-N -1 1 294.318 1.498 20 0 CDADMM CC(C)(C)C[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589119726 1173126465 /nfs/dbraw/zinc/12/64/65/1173126465.db2.gz WVWITLFCZLDXRM-SNVBAGLBSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)C1(NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001589493195 1173150758 /nfs/dbraw/zinc/15/07/58/1173150758.db2.gz APSVFZRXJNYWBL-UHFFFAOYSA-N -1 1 287.327 1.572 20 0 CDADMM CC(C)C1(NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001589493195 1173150763 /nfs/dbraw/zinc/15/07/63/1173150763.db2.gz APSVFZRXJNYWBL-UHFFFAOYSA-N -1 1 287.327 1.572 20 0 CDADMM CC(C)[C@H]1N(c2cc(-c3nnn[n-]3)ncn2)CC12CCC2 ZINC001589520690 1173154756 /nfs/dbraw/zinc/15/47/56/1173154756.db2.gz XINPVTTWSASZRK-GFCCVEGCSA-N -1 1 285.355 1.672 20 0 CDADMM CC(C)[C@H]1N(c2cc(-c3nn[n-]n3)ncn2)CC12CCC2 ZINC001589520690 1173154758 /nfs/dbraw/zinc/15/47/58/1173154758.db2.gz XINPVTTWSASZRK-GFCCVEGCSA-N -1 1 285.355 1.672 20 0 CDADMM CC(C)Cn1nccc1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001589671539 1173168819 /nfs/dbraw/zinc/16/88/19/1173168819.db2.gz MVKJWAUFOICWIO-UHFFFAOYSA-N -1 1 287.331 1.054 20 0 CDADMM CC(C)Cn1nccc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001589671539 1173168822 /nfs/dbraw/zinc/16/88/22/1173168822.db2.gz MVKJWAUFOICWIO-UHFFFAOYSA-N -1 1 287.331 1.054 20 0 CDADMM CC(C)SCn1ccc(-c2nn[n-]n2)cc1=O ZINC001589762345 1173176183 /nfs/dbraw/zinc/17/61/83/1173176183.db2.gz ZPHWCXQBPMRCEW-UHFFFAOYSA-N -1 1 251.315 1.128 20 0 CDADMM CC(C)c1noc(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001589779254 1173178391 /nfs/dbraw/zinc/17/83/91/1173178391.db2.gz SQCDXTOJIAGFEN-UHFFFAOYSA-N -1 1 257.257 1.435 20 0 CDADMM CC(C)c1noc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001589779254 1173178396 /nfs/dbraw/zinc/17/83/96/1173178396.db2.gz SQCDXTOJIAGFEN-UHFFFAOYSA-N -1 1 257.257 1.435 20 0 CDADMM C[C@@H](Cc1ccncc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589901850 1173197701 /nfs/dbraw/zinc/19/77/01/1173197701.db2.gz GCHLHADURZTKHP-VIFPVBQESA-N -1 1 282.311 1.095 20 0 CDADMM C[C@@H](Cc1ccncc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589901850 1173197707 /nfs/dbraw/zinc/19/77/07/1173197707.db2.gz GCHLHADURZTKHP-VIFPVBQESA-N -1 1 282.311 1.095 20 0 CDADMM C[C@H](O)CCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001589999443 1173230618 /nfs/dbraw/zinc/23/06/18/1173230618.db2.gz RLLDUHRKFIRKTE-JTQLQIEISA-N -1 1 298.350 1.988 20 0 CDADMM C[C@H](O)CCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001589999443 1173230625 /nfs/dbraw/zinc/23/06/25/1173230625.db2.gz RLLDUHRKFIRKTE-JTQLQIEISA-N -1 1 298.350 1.988 20 0 CDADMM C[C@H](O)c1ccc(CNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001590002572 1173232778 /nfs/dbraw/zinc/23/27/78/1173232778.db2.gz DFJFSVJRDUOHFJ-VIFPVBQESA-N -1 1 297.322 1.322 20 0 CDADMM C[C@H](O)c1ccc(CNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001590002572 1173232780 /nfs/dbraw/zinc/23/27/80/1173232780.db2.gz DFJFSVJRDUOHFJ-VIFPVBQESA-N -1 1 297.322 1.322 20 0 CDADMM C[C@@]1(C(=O)OCc2ccc(-c3nn[n-]n3)s2)CCOC1 ZINC001590073334 1173246926 /nfs/dbraw/zinc/24/69/26/1173246926.db2.gz KQWREXQJOYFPIH-GFCCVEGCSA-N -1 1 294.336 1.398 20 0 CDADMM CC1(C)CCC[C@@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590094974 1173258147 /nfs/dbraw/zinc/25/81/47/1173258147.db2.gz MGQXBWRRJKRXNM-NSHDSACASA-N -1 1 258.329 1.674 20 0 CDADMM CC1(C)CCC[C@@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590094974 1173258151 /nfs/dbraw/zinc/25/81/51/1173258151.db2.gz MGQXBWRRJKRXNM-NSHDSACASA-N -1 1 258.329 1.674 20 0 CDADMM C[C@@]1(CCCO)CCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001590125714 1173265419 /nfs/dbraw/zinc/26/54/19/1173265419.db2.gz UGPHCTZHQMYJDB-AWEZNQCLSA-N -1 1 288.355 1.393 20 0 CDADMM C[C@@]1(CCCO)CCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001590125714 1173265429 /nfs/dbraw/zinc/26/54/29/1173265429.db2.gz UGPHCTZHQMYJDB-AWEZNQCLSA-N -1 1 288.355 1.393 20 0 CDADMM C[C@@]1(O)CCCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001590149885 1173272230 /nfs/dbraw/zinc/27/22/30/1173272230.db2.gz AVBRWUPTPWRIIR-CYBMUJFWSA-N -1 1 274.328 1.003 20 0 CDADMM C[C@@]1(O)CCCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001590149885 1173272234 /nfs/dbraw/zinc/27/22/34/1173272234.db2.gz AVBRWUPTPWRIIR-CYBMUJFWSA-N -1 1 274.328 1.003 20 0 CDADMM C[C@H]1C[C@H](C)N1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590191407 1173283970 /nfs/dbraw/zinc/28/39/70/1173283970.db2.gz PWLZDOFXVGXRPX-BQBZGAKWSA-N -1 1 293.356 1.016 20 0 CDADMM C[C@H]1C[C@H](C)N1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590191407 1173283978 /nfs/dbraw/zinc/28/39/78/1173283978.db2.gz PWLZDOFXVGXRPX-BQBZGAKWSA-N -1 1 293.356 1.016 20 0 CDADMM C[C@@H]1C[C@@H](C)N1C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590187981 1173284650 /nfs/dbraw/zinc/28/46/50/1173284650.db2.gz BHEYQSPJIHFUAF-HTQZYQBOSA-N -1 1 275.287 1.629 20 0 CDADMM C[C@@H]1C[C@@H](C)N1C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590187981 1173284656 /nfs/dbraw/zinc/28/46/56/1173284656.db2.gz BHEYQSPJIHFUAF-HTQZYQBOSA-N -1 1 275.287 1.629 20 0 CDADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001590217012 1173294369 /nfs/dbraw/zinc/29/43/69/1173294369.db2.gz CVRVEQDYKPXCMG-NUGNTBJXSA-N -1 1 298.350 1.517 20 0 CDADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001590217012 1173294377 /nfs/dbraw/zinc/29/43/77/1173294377.db2.gz CVRVEQDYKPXCMG-NUGNTBJXSA-N -1 1 298.350 1.517 20 0 CDADMM C[C@H]1CC[C@H](OC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590241294 1173314988 /nfs/dbraw/zinc/31/49/88/1173314988.db2.gz VUACBUUMJAQHHF-ONGXEEELSA-N -1 1 287.323 1.536 20 0 CDADMM C[C@H]1CC[C@H](OC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590241294 1173314997 /nfs/dbraw/zinc/31/49/97/1173314997.db2.gz VUACBUUMJAQHHF-ONGXEEELSA-N -1 1 287.323 1.536 20 0 CDADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCC[C@@H](C)C1 ZINC001590249130 1173319441 /nfs/dbraw/zinc/31/94/41/1173319441.db2.gz BPEBWAAFOCVNMZ-VWYCJHECSA-N -1 1 287.371 1.705 20 0 CDADMM C[C@H]1CCC[C@H](OC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590249702 1173320219 /nfs/dbraw/zinc/32/02/19/1173320219.db2.gz CYAAWHIPDGZUAN-ONGXEEELSA-N -1 1 287.323 1.997 20 0 CDADMM C[C@H]1CCC[C@H](OC(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590249702 1173320226 /nfs/dbraw/zinc/32/02/26/1173320226.db2.gz CYAAWHIPDGZUAN-ONGXEEELSA-N -1 1 287.323 1.997 20 0 CDADMM C[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)c2)[C@@H]1CCO ZINC001590260869 1173324358 /nfs/dbraw/zinc/32/43/58/1173324358.db2.gz JFKSYSWIFDZWMO-ZWNOBZJWSA-N -1 1 288.355 1.249 20 0 CDADMM C[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)c2)[C@@H]1CCO ZINC001590260869 1173324364 /nfs/dbraw/zinc/32/43/64/1173324364.db2.gz JFKSYSWIFDZWMO-ZWNOBZJWSA-N -1 1 288.355 1.249 20 0 CDADMM C[C@H]1CCCN1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590265674 1173328856 /nfs/dbraw/zinc/32/88/56/1173328856.db2.gz VRBZHSFJPBFFTA-ZETCQYMHSA-N -1 1 293.356 1.017 20 0 CDADMM C[C@H]1CCCN1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590265674 1173328862 /nfs/dbraw/zinc/32/88/62/1173328862.db2.gz VRBZHSFJPBFFTA-ZETCQYMHSA-N -1 1 293.356 1.017 20 0 CDADMM C[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCC1(F)F ZINC001590313045 1173347889 /nfs/dbraw/zinc/34/78/89/1173347889.db2.gz SDZVDCRYIXKXSE-ZETCQYMHSA-N -1 1 281.270 1.138 20 0 CDADMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCC1(F)F ZINC001590313045 1173347898 /nfs/dbraw/zinc/34/78/98/1173347898.db2.gz SDZVDCRYIXKXSE-ZETCQYMHSA-N -1 1 281.270 1.138 20 0 CDADMM C[C@H]1c2sccc2CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001590343441 1173366832 /nfs/dbraw/zinc/36/68/32/1173366832.db2.gz ODUCWYUQECNPEA-QMMMGPOBSA-N -1 1 299.363 1.842 20 0 CDADMM C[C@H]1c2sccc2CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001590343441 1173366839 /nfs/dbraw/zinc/36/68/39/1173366839.db2.gz ODUCWYUQECNPEA-QMMMGPOBSA-N -1 1 299.363 1.842 20 0 CDADMM CC[C@H]1CN(c2cc(C)cc(-c3nnn[n-]3)n2)CCS1 ZINC001590521587 1173448531 /nfs/dbraw/zinc/44/85/31/1173448531.db2.gz MHZLSPFVKNXXRZ-JTQLQIEISA-N -1 1 290.396 1.902 20 0 CDADMM CC[C@H]1CN(c2cc(C)cc(-c3nn[n-]n3)n2)CCS1 ZINC001590521587 1173448534 /nfs/dbraw/zinc/44/85/34/1173448534.db2.gz MHZLSPFVKNXXRZ-JTQLQIEISA-N -1 1 290.396 1.902 20 0 CDADMM CCOC1CC(COc2ccc(F)nc2-c2nnn[n-]2)C1 ZINC001590788188 1173510534 /nfs/dbraw/zinc/51/05/34/1173510534.db2.gz KMPYMCMOPHJOJA-UHFFFAOYSA-N -1 1 293.302 1.595 20 0 CDADMM CCOC1CC(COc2ccc(F)nc2-c2nn[n-]n2)C1 ZINC001590788188 1173510538 /nfs/dbraw/zinc/51/05/38/1173510538.db2.gz KMPYMCMOPHJOJA-UHFFFAOYSA-N -1 1 293.302 1.595 20 0 CDADMM CCOc1ccccc1CNc1n[nH]c(C)c1-c1nnn[n-]1 ZINC001590842960 1173524286 /nfs/dbraw/zinc/52/42/86/1173524286.db2.gz NSDCRXAIDHCHBA-UHFFFAOYSA-N -1 1 299.338 1.909 20 0 CDADMM CCOc1ccccc1CNc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001590842960 1173524296 /nfs/dbraw/zinc/52/42/96/1173524296.db2.gz NSDCRXAIDHCHBA-UHFFFAOYSA-N -1 1 299.338 1.909 20 0 CDADMM CCOc1ccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)cc1 ZINC001590835243 1173526065 /nfs/dbraw/zinc/52/60/65/1173526065.db2.gz VXGIKAMIMMHNGA-UHFFFAOYSA-N -1 1 299.294 1.241 20 0 CDADMM CCc1nc(N[C@H](C)CCSC)cc(-c2nnn[n-]2)n1 ZINC001590913758 1173541346 /nfs/dbraw/zinc/54/13/46/1173541346.db2.gz XLWPESNYYJZTKD-MRVPVSSYSA-N -1 1 293.400 1.773 20 0 CDADMM CCc1nc(N[C@H](C)CCSC)cc(-c2nn[n-]n2)n1 ZINC001590913758 1173541351 /nfs/dbraw/zinc/54/13/51/1173541351.db2.gz XLWPESNYYJZTKD-MRVPVSSYSA-N -1 1 293.400 1.773 20 0 CDADMM CCc1nc(N[C@H]2CCCC2(F)F)cc(-c2nnn[n-]2)n1 ZINC001590917628 1173544365 /nfs/dbraw/zinc/54/43/65/1173544365.db2.gz RJYJFLHMKJGVRV-QMMMGPOBSA-N -1 1 295.297 1.819 20 0 CDADMM CCc1nc(N[C@H]2CCCC2(F)F)cc(-c2nn[n-]n2)n1 ZINC001590917628 1173544368 /nfs/dbraw/zinc/54/43/68/1173544368.db2.gz RJYJFLHMKJGVRV-QMMMGPOBSA-N -1 1 295.297 1.819 20 0 CDADMM CCc1nnc(Sc2ccnc(-c3nn[n-]n3)n2)s1 ZINC001590934084 1173548454 /nfs/dbraw/zinc/54/84/54/1173548454.db2.gz WSHDGZVEOGIIPN-UHFFFAOYSA-N -1 1 292.353 1.222 20 0 CDADMM CCc1nocc1CN(C)c1nc(-c2nn[n-]n2)ccc1C ZINC001590935870 1173548494 /nfs/dbraw/zinc/54/84/94/1173548494.db2.gz OKCWNTKULYODSY-UHFFFAOYSA-N -1 1 299.338 1.757 20 0 CDADMM CN(CC1(O)CCCC1)c1cccnc1-c1nnn[n-]1 ZINC001591051377 1173566533 /nfs/dbraw/zinc/56/65/33/1173566533.db2.gz ZSOLXANBCHKXSA-UHFFFAOYSA-N -1 1 274.328 1.003 20 0 CDADMM CN(CC1(O)CCCC1)c1cccnc1-c1nn[n-]n1 ZINC001591051377 1173566538 /nfs/dbraw/zinc/56/65/38/1173566538.db2.gz ZSOLXANBCHKXSA-UHFFFAOYSA-N -1 1 274.328 1.003 20 0 CDADMM CN(CCC1CC1)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591064147 1173569036 /nfs/dbraw/zinc/56/90/36/1173569036.db2.gz BHNBUHMCXMRIPI-UHFFFAOYSA-N -1 1 287.327 1.526 20 0 CDADMM CN(CCC1CC1)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591064147 1173569038 /nfs/dbraw/zinc/56/90/38/1173569038.db2.gz BHNBUHMCXMRIPI-UHFFFAOYSA-N -1 1 287.327 1.526 20 0 CDADMM CN(Cc1ccc(F)cc1)c1ncncc1-c1nn[n-]n1 ZINC001591140265 1173578939 /nfs/dbraw/zinc/57/89/39/1173578939.db2.gz QTDGZWJSVCHOMN-UHFFFAOYSA-N -1 1 285.286 1.432 20 0 CDADMM COC(=O)CC1CC(Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001591261680 1173594901 /nfs/dbraw/zinc/59/49/01/1173594901.db2.gz VEQOLSAHHKLWOO-UHFFFAOYSA-N -1 1 288.311 1.015 20 0 CDADMM COC(=O)CC1CC(Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001591261680 1173594904 /nfs/dbraw/zinc/59/49/04/1173594904.db2.gz VEQOLSAHHKLWOO-UHFFFAOYSA-N -1 1 288.311 1.015 20 0 CDADMM COC(C)(C)CCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591316800 1173605188 /nfs/dbraw/zinc/60/51/88/1173605188.db2.gz QETDYWKOWULWPA-UHFFFAOYSA-N -1 1 296.352 1.900 20 0 CDADMM COC(C)(C)CCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591316800 1173605190 /nfs/dbraw/zinc/60/51/90/1173605190.db2.gz QETDYWKOWULWPA-UHFFFAOYSA-N -1 1 296.352 1.900 20 0 CDADMM CO[C@@H](CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001591334689 1173614852 /nfs/dbraw/zinc/61/48/52/1173614852.db2.gz LEEPQAPHLJSIRR-QMMMGPOBSA-N -1 1 280.357 1.469 20 0 CDADMM CO[C@H]1C[C@@H](Nc2cc(C)nc(-c3nnn[n-]3)c2)C1(C)C ZINC001591350521 1173622338 /nfs/dbraw/zinc/62/23/38/1173622338.db2.gz SIULMUKVXGAIIE-NEPJUHHUSA-N -1 1 288.355 1.217 20 0 CDADMM CO[C@H]1C[C@@H](Nc2cc(C)nc(-c3nn[n-]n3)c2)C1(C)C ZINC001591350521 1173622345 /nfs/dbraw/zinc/62/23/45/1173622345.db2.gz SIULMUKVXGAIIE-NEPJUHHUSA-N -1 1 288.355 1.217 20 0 CDADMM COc1ccc(C=O)cc1Oc1ncncc1-c1nnn[n-]1 ZINC001591582321 1173670675 /nfs/dbraw/zinc/67/06/75/1173670675.db2.gz JQODXSIMHFXZEE-UHFFFAOYSA-N -1 1 298.262 1.270 20 0 CDADMM COc1ccc(C=O)cc1Oc1ncncc1-c1nn[n-]n1 ZINC001591582321 1173670678 /nfs/dbraw/zinc/67/06/78/1173670678.db2.gz JQODXSIMHFXZEE-UHFFFAOYSA-N -1 1 298.262 1.270 20 0 CDADMM C[C@H](C(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1ccccc1 ZINC001591759386 1173696078 /nfs/dbraw/zinc/69/60/78/1173696078.db2.gz DPHLHMVRYNECSV-QMMMGPOBSA-N -1 1 283.295 1.332 20 0 CDADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)no1 ZINC001592030157 1173776728 /nfs/dbraw/zinc/77/67/28/1173776728.db2.gz YZVKPDBQIYODSM-UHFFFAOYSA-N -1 1 260.213 1.008 20 0 CDADMM Cc1cc(NC[C@@H](C)CCO)cc(-c2nnn[n-]2)n1 ZINC001592038510 1173780609 /nfs/dbraw/zinc/78/06/09/1173780609.db2.gz HUVOTFDJDZYTPH-QMMMGPOBSA-N -1 1 262.317 1.001 20 0 CDADMM Cc1cc(NC[C@@H](C)CCO)cc(-c2nn[n-]n2)n1 ZINC001592038510 1173780611 /nfs/dbraw/zinc/78/06/11/1173780611.db2.gz HUVOTFDJDZYTPH-QMMMGPOBSA-N -1 1 262.317 1.001 20 0 CDADMM Cc1cc(NCCOCC2CC2)cc(-c2nnn[n-]2)n1 ZINC001592051020 1173785680 /nfs/dbraw/zinc/78/56/80/1173785680.db2.gz YCRZELMHJNYBBP-UHFFFAOYSA-N -1 1 274.328 1.409 20 0 CDADMM Cc1cc(NCCOCC2CC2)cc(-c2nn[n-]n2)n1 ZINC001592051020 1173785687 /nfs/dbraw/zinc/78/56/87/1173785687.db2.gz YCRZELMHJNYBBP-UHFFFAOYSA-N -1 1 274.328 1.409 20 0 CDADMM Cc1ccc(CNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001592166613 1173820154 /nfs/dbraw/zinc/82/01/54/1173820154.db2.gz FVOQVTHCLMYFRY-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1ccc(CNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001592166613 1173820160 /nfs/dbraw/zinc/82/01/60/1173820160.db2.gz FVOQVTHCLMYFRY-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1ccc(N2CCCC[C@@H]2C)nc1-c1nnn[n-]1 ZINC001592176820 1173822257 /nfs/dbraw/zinc/82/22/57/1173822257.db2.gz PQSHUEGHBFSQDV-JTQLQIEISA-N -1 1 258.329 1.949 20 0 CDADMM Cc1ccc(NC[C@@H](C)Cn2cccn2)nc1-c1nn[n-]n1 ZINC001592183142 1173824928 /nfs/dbraw/zinc/82/49/28/1173824928.db2.gz NQWSIOMGKDBDDE-SNVBAGLBSA-N -1 1 298.354 1.515 20 0 CDADMM Cc1ccc(NC[C@H](C)CCCO)nc1-c1nnn[n-]1 ZINC001592183147 1173824938 /nfs/dbraw/zinc/82/49/38/1173824938.db2.gz NXEFAULNGQPACF-SECBINFHSA-N -1 1 276.344 1.391 20 0 CDADMM Cc1ccc(NC[C@H](C)CCCO)nc1-c1nn[n-]n1 ZINC001592183147 1173824943 /nfs/dbraw/zinc/82/49/43/1173824943.db2.gz NXEFAULNGQPACF-SECBINFHSA-N -1 1 276.344 1.391 20 0 CDADMM Cc1ccc(N2C[C@@H](F)[C@@H](F)C2)c(-c2nnn[n-]2)n1 ZINC001592177328 1173826433 /nfs/dbraw/zinc/82/64/33/1173826433.db2.gz PONOJODNMRRCIM-OCAPTIKFSA-N -1 1 266.255 1.066 20 0 CDADMM Cc1ccc(N2C[C@@H](F)[C@@H](F)C2)c(-c2nn[n-]n2)n1 ZINC001592177328 1173826435 /nfs/dbraw/zinc/82/64/35/1173826435.db2.gz PONOJODNMRRCIM-OCAPTIKFSA-N -1 1 266.255 1.066 20 0 CDADMM Cc1ccc(NC[C@@H]2CCCC[C@H]2O)c(-c2nnn[n-]2)n1 ZINC001592185690 1173831802 /nfs/dbraw/zinc/83/18/02/1173831802.db2.gz IYBSAHLDZWCIIA-CMPLNLGQSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(NC[C@@H]2CCCC[C@H]2O)c(-c2nn[n-]n2)n1 ZINC001592185690 1173831806 /nfs/dbraw/zinc/83/18/06/1173831806.db2.gz IYBSAHLDZWCIIA-CMPLNLGQSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1cccc(Cn2cc(-c3nn[n-]n3)ccc2=O)c1 ZINC001592232201 1173836431 /nfs/dbraw/zinc/83/64/31/1173836431.db2.gz MJPRPCHBRHUQIL-UHFFFAOYSA-N -1 1 267.292 1.385 20 0 CDADMM Cc1ccn(CN2C[C@@H](C)C[C@@H]2C)c(=O)c1-c1nnn[n-]1 ZINC001592268025 1173838156 /nfs/dbraw/zinc/83/81/56/1173838156.db2.gz WFONKRFGYCOXNG-ONGXEEELSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1c[nH]c(Nc2nc(Cl)c(-c3nnn[n-]3)s2)n1 ZINC001592293953 1173850238 /nfs/dbraw/zinc/85/02/38/1173850238.db2.gz RTCWTKJAXVWXRZ-UHFFFAOYSA-N -1 1 282.720 1.752 20 0 CDADMM Cc1c[nH]c(Nc2nc(Cl)c(-c3nn[n-]n3)s2)n1 ZINC001592293953 1173850243 /nfs/dbraw/zinc/85/02/43/1173850243.db2.gz RTCWTKJAXVWXRZ-UHFFFAOYSA-N -1 1 282.720 1.752 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(CCSC(F)(F)F)c1C ZINC001592339375 1173860420 /nfs/dbraw/zinc/86/04/20/1173860420.db2.gz JTJNAUYMDBCCLS-UHFFFAOYSA-N -1 1 292.290 1.933 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(CCSC(F)(F)F)c1C ZINC001592339375 1173860425 /nfs/dbraw/zinc/86/04/25/1173860425.db2.gz JTJNAUYMDBCCLS-UHFFFAOYSA-N -1 1 292.290 1.933 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N(C)CC2CCCC2)n1 ZINC001592339202 1173860682 /nfs/dbraw/zinc/86/06/82/1173860682.db2.gz YPMFJKWPDAAGKW-UHFFFAOYSA-N -1 1 273.344 1.592 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N(C)CC2CCCC2)n1 ZINC001592339202 1173860685 /nfs/dbraw/zinc/86/06/85/1173860685.db2.gz YPMFJKWPDAAGKW-UHFFFAOYSA-N -1 1 273.344 1.592 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2cnc(Cl)cn2)c1C ZINC001592339650 1173861135 /nfs/dbraw/zinc/86/11/35/1173861135.db2.gz QLWJBMNUVUIATO-UHFFFAOYSA-N -1 1 290.718 1.172 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(Cc2cnc(Cl)cn2)c1C ZINC001592339650 1173861130 /nfs/dbraw/zinc/86/11/30/1173861130.db2.gz QLWJBMNUVUIATO-UHFFFAOYSA-N -1 1 290.718 1.172 20 0 CDADMM Cc1ccccc1CNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001592395593 1173881325 /nfs/dbraw/zinc/88/13/25/1173881325.db2.gz JQRNHWAAEWMIRG-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1ccccc1CNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001592395593 1173881332 /nfs/dbraw/zinc/88/13/32/1173881332.db2.gz JQRNHWAAEWMIRG-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1nsc(NCCC(F)F)c1-c1nn[n-]n1 ZINC001592490088 1173902066 /nfs/dbraw/zinc/90/20/66/1173902066.db2.gz DLFAFQHACRCPSR-UHFFFAOYSA-N -1 1 260.273 1.699 20 0 CDADMM Cc1nsc(S[C@@H]2CCCOC2)c1-c1nnn[n-]1 ZINC001592494508 1173905820 /nfs/dbraw/zinc/90/58/20/1173905820.db2.gz YCXDNYZEWLBNQW-SSDOTTSWSA-N -1 1 283.382 1.903 20 0 CDADMM Cc1nsc(S[C@@H]2CCCOC2)c1-c1nn[n-]n1 ZINC001592494508 1173905826 /nfs/dbraw/zinc/90/58/26/1173905826.db2.gz YCXDNYZEWLBNQW-SSDOTTSWSA-N -1 1 283.382 1.903 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC[C@H]1CC1(F)F ZINC001592504211 1173907493 /nfs/dbraw/zinc/90/74/93/1173907493.db2.gz ZAEKXTCECGXLRX-ZETCQYMHSA-N -1 1 298.249 1.970 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC[C@H]1CC1(F)F ZINC001592504211 1173907497 /nfs/dbraw/zinc/90/74/97/1173907497.db2.gz ZAEKXTCECGXLRX-ZETCQYMHSA-N -1 1 298.249 1.970 20 0 CDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)C2C(C)(C)C2(C)C)n1 ZINC001592559125 1173920356 /nfs/dbraw/zinc/92/03/56/1173920356.db2.gz YNOFONDZXGLWDB-UHFFFAOYSA-N -1 1 289.343 1.221 20 0 CDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)C2C(C)(C)C2(C)C)n1 ZINC001592559125 1173920363 /nfs/dbraw/zinc/92/03/63/1173920363.db2.gz YNOFONDZXGLWDB-UHFFFAOYSA-N -1 1 289.343 1.221 20 0 CDADMM FC[C@@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001592632173 1173940846 /nfs/dbraw/zinc/94/08/46/1173940846.db2.gz RHDOXVIWABSSQX-ZETCQYMHSA-N -1 1 282.710 1.711 20 0 CDADMM FC[C@@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001592632173 1173940849 /nfs/dbraw/zinc/94/08/49/1173940849.db2.gz RHDOXVIWABSSQX-ZETCQYMHSA-N -1 1 282.710 1.711 20 0 CDADMM FC1(F)CC12CCN(c1ccnc(-c3nnn[n-]3)c1)CC2 ZINC001592631375 1173941268 /nfs/dbraw/zinc/94/12/68/1173941268.db2.gz XPXXTHVTJKTLAE-UHFFFAOYSA-N -1 1 292.293 1.887 20 0 CDADMM FC1(F)CC12CCN(c1ccnc(-c3nn[n-]n3)c1)CC2 ZINC001592631375 1173941274 /nfs/dbraw/zinc/94/12/74/1173941274.db2.gz XPXXTHVTJKTLAE-UHFFFAOYSA-N -1 1 292.293 1.887 20 0 CDADMM FC1(F)C[C@]12CCCN(c1cc(-c3nnn[n-]3)ncn1)C2 ZINC001592630887 1173942213 /nfs/dbraw/zinc/94/22/13/1173942213.db2.gz SLMCKOQEBKPDOJ-NSHDSACASA-N -1 1 293.281 1.282 20 0 CDADMM FC1(F)C[C@]12CCCN(c1cc(-c3nn[n-]n3)ncn1)C2 ZINC001592630887 1173942219 /nfs/dbraw/zinc/94/22/19/1173942219.db2.gz SLMCKOQEBKPDOJ-NSHDSACASA-N -1 1 293.281 1.282 20 0 CDADMM Fc1ccccc1CNc1ncncc1-c1nn[n-]n1 ZINC001592659209 1173956919 /nfs/dbraw/zinc/95/69/19/1173956919.db2.gz XFSPKEKNZCGVAO-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCC1=CCCCC1 ZINC001592915476 1174002238 /nfs/dbraw/zinc/00/22/38/1174002238.db2.gz WVUXNDLRRMPRBV-UHFFFAOYSA-N -1 1 299.334 1.848 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCC1=CCCCC1 ZINC001592915476 1174002247 /nfs/dbraw/zinc/00/22/47/1174002247.db2.gz WVUXNDLRRMPRBV-UHFFFAOYSA-N -1 1 299.334 1.848 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001592914463 1174003656 /nfs/dbraw/zinc/00/36/56/1174003656.db2.gz AGHDFNJMWVFRGW-GRYCIOLGSA-N -1 1 298.350 1.109 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001592914463 1174003658 /nfs/dbraw/zinc/00/36/58/1174003658.db2.gz AGHDFNJMWVFRGW-GRYCIOLGSA-N -1 1 298.350 1.109 20 0 CDADMM O=C(N[C@@H]1CC=CCC1)c1coc(-c2nnn[n-]2)c1 ZINC001592971756 1174010169 /nfs/dbraw/zinc/01/01/69/1174010169.db2.gz DXTNASREWGCNEA-SECBINFHSA-N -1 1 259.269 1.298 20 0 CDADMM O=C(N[C@@H]1CC=CCC1)c1coc(-c2nn[n-]n2)c1 ZINC001592971756 1174010175 /nfs/dbraw/zinc/01/01/75/1174010175.db2.gz DXTNASREWGCNEA-SECBINFHSA-N -1 1 259.269 1.298 20 0 CDADMM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccsc1-c1nnn[n-]1 ZINC001592983729 1174011318 /nfs/dbraw/zinc/01/13/18/1174011318.db2.gz XOVDVXJGBZDHPD-JEZHCXPESA-N -1 1 289.364 1.847 20 0 CDADMM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccsc1-c1nn[n-]n1 ZINC001592983729 1174011324 /nfs/dbraw/zinc/01/13/24/1174011324.db2.gz XOVDVXJGBZDHPD-JEZHCXPESA-N -1 1 289.364 1.847 20 0 CDADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1ccco1 ZINC001593264781 1174043901 /nfs/dbraw/zinc/04/39/01/1174043901.db2.gz WVINAZTUGUOFIH-UHFFFAOYSA-N -1 1 296.699 1.822 20 0 CDADMM O=C(OC[C@H]1CCOC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593283585 1174049404 /nfs/dbraw/zinc/04/94/04/1174049404.db2.gz FTAUVTANWHSVBP-QMMMGPOBSA-N -1 1 292.270 1.199 20 0 CDADMM O=C(OC[C@H]1CCOC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593283585 1174049412 /nfs/dbraw/zinc/04/94/12/1174049412.db2.gz FTAUVTANWHSVBP-QMMMGPOBSA-N -1 1 292.270 1.199 20 0 CDADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)[C@H]1CCCS1 ZINC001593307991 1174062216 /nfs/dbraw/zinc/06/22/16/1174062216.db2.gz XIWGFAPLJAUTIS-SSDOTTSWSA-N -1 1 297.365 1.262 20 0 CDADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)[C@H]1CCCS1 ZINC001593307991 1174062219 /nfs/dbraw/zinc/06/22/19/1174062219.db2.gz XIWGFAPLJAUTIS-SSDOTTSWSA-N -1 1 297.365 1.262 20 0 CDADMM O=S(=O)(Cc1ccc(-c2nn[n-]n2)s1)C(F)F ZINC001593425711 1174076448 /nfs/dbraw/zinc/07/64/48/1174076448.db2.gz QFKUGLJAYDBKCX-UHFFFAOYSA-N -1 1 280.281 1.066 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1ccc2c(c1)CCC2 ZINC001593493479 1174087979 /nfs/dbraw/zinc/08/79/79/1174087979.db2.gz IJSTXTKXXXTMKF-UHFFFAOYSA-N -1 1 293.330 1.565 20 0 CDADMM OCCC1(CNc2cccnc2-c2nnn[n-]2)CCCC1 ZINC001593530227 1174105034 /nfs/dbraw/zinc/10/50/34/1174105034.db2.gz XBUNLQVITJNEJC-UHFFFAOYSA-N -1 1 288.355 1.616 20 0 CDADMM OCCC1(CNc2cccnc2-c2nn[n-]n2)CCCC1 ZINC001593530227 1174105037 /nfs/dbraw/zinc/10/50/37/1174105037.db2.gz XBUNLQVITJNEJC-UHFFFAOYSA-N -1 1 288.355 1.616 20 0 CDADMM c1c(S[C@H]2CCOC2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543103 1174112492 /nfs/dbraw/zinc/11/24/92/1174112492.db2.gz BMVSVHZWIDSYBP-QMMMGPOBSA-N -1 1 290.352 1.415 20 0 CDADMM c1c(S[C@H]2CCOC2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543103 1174112496 /nfs/dbraw/zinc/11/24/96/1174112496.db2.gz BMVSVHZWIDSYBP-QMMMGPOBSA-N -1 1 290.352 1.415 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1N[C@@H]1CCC[C@]12CCCO2 ZINC001593551229 1174123457 /nfs/dbraw/zinc/12/34/57/1174123457.db2.gz JEGSQTFFFFSIJK-MFKMUULPSA-N -1 1 287.327 1.170 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1N[C@@H]1CCC[C@]12CCCO2 ZINC001593551229 1174123469 /nfs/dbraw/zinc/12/34/69/1174123469.db2.gz JEGSQTFFFFSIJK-MFKMUULPSA-N -1 1 287.327 1.170 20 0 CDADMM c1cc(NCCOCC2CCCC2)nc(-c2nnn[n-]2)c1 ZINC001593561560 1174139279 /nfs/dbraw/zinc/13/92/79/1174139279.db2.gz YWYGWOZRIFUYDZ-UHFFFAOYSA-N -1 1 288.355 1.880 20 0 CDADMM c1cc(NCCOCC2CCCC2)nc(-c2nn[n-]n2)c1 ZINC001593561560 1174139281 /nfs/dbraw/zinc/13/92/81/1174139281.db2.gz YWYGWOZRIFUYDZ-UHFFFAOYSA-N -1 1 288.355 1.880 20 0 CDADMM c1nc(-c2nn[n-]n2)nn1Cc1cc(-c2ccccc2)no1 ZINC001593568335 1174142012 /nfs/dbraw/zinc/14/20/12/1174142012.db2.gz GUJBKRWVHIPHOL-UHFFFAOYSA-N -1 1 294.278 1.162 20 0 CDADMM c1ccc2c(c1)N(c1ccnc(-c3nn[n-]n3)n1)CC21CC1 ZINC001593579959 1174146759 /nfs/dbraw/zinc/14/67/59/1174146759.db2.gz QVMXBMDTUASYSZ-UHFFFAOYSA-N -1 1 291.318 1.840 20 0 CDADMM c1ccc2c(c1)CN(c1cncc(-c3nnn[n-]3)n1)CCO2 ZINC001593580604 1174147773 /nfs/dbraw/zinc/14/77/73/1174147773.db2.gz NYXWBLRHQUMRHF-UHFFFAOYSA-N -1 1 295.306 1.056 20 0 CDADMM c1ccc2c(c1)CN(c1cncc(-c3nn[n-]n3)n1)CCO2 ZINC001593580604 1174147775 /nfs/dbraw/zinc/14/77/75/1174147775.db2.gz NYXWBLRHQUMRHF-UHFFFAOYSA-N -1 1 295.306 1.056 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(Oc2ncnc3c2CCCC3)c1 ZINC001593584351 1174153329 /nfs/dbraw/zinc/15/33/29/1174153329.db2.gz LBAQIWYABGTHRH-UHFFFAOYSA-N -1 1 295.306 1.723 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(Oc2ncnc3c2CCCC3)c1 ZINC001593584351 1174153331 /nfs/dbraw/zinc/15/33/31/1174153331.db2.gz LBAQIWYABGTHRH-UHFFFAOYSA-N -1 1 295.306 1.723 20 0 CDADMM c1nn(CC2CC2)cc1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001593592164 1174160594 /nfs/dbraw/zinc/16/05/94/1174160594.db2.gz VKIBYLGACHVADI-UHFFFAOYSA-N -1 1 283.299 1.007 20 0 CDADMM c1nn(CC2CC2)cc1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001593592164 1174160601 /nfs/dbraw/zinc/16/06/01/1174160601.db2.gz VKIBYLGACHVADI-UHFFFAOYSA-N -1 1 283.299 1.007 20 0 CDADMM c1nc(NCC[C@@H]2CC[C@@H]3C[C@@H]32)cc(-c2nnn[n-]2)n1 ZINC001593591412 1174161009 /nfs/dbraw/zinc/16/10/09/1174161009.db2.gz PRYASQLGLNUSSP-IVZWLZJFSA-N -1 1 271.328 1.505 20 0 CDADMM c1nc(NCC[C@@H]2CC[C@@H]3C[C@@H]32)cc(-c2nn[n-]n2)n1 ZINC001593591412 1174161014 /nfs/dbraw/zinc/16/10/14/1174161014.db2.gz PRYASQLGLNUSSP-IVZWLZJFSA-N -1 1 271.328 1.505 20 0 CDADMM O=C([O-])COCCN[C@H]1CCc2c1c(F)ccc2F ZINC001595113442 1174197126 /nfs/dbraw/zinc/19/71/26/1174197126.db2.gz XZGMHPKLEUUCIO-NSHDSACASA-N -1 1 271.263 1.643 20 0 CDADMM Cn1cnnc1-c1cccc(NC(=O)c2ccc([O-])cn2)c1 ZINC001595557847 1174208254 /nfs/dbraw/zinc/20/82/54/1174208254.db2.gz YLMAMKNSBSIPMR-UHFFFAOYSA-N -1 1 295.302 1.835 20 0 CDADMM Cc1cn[nH]c1CN(C)[C@H](C(=O)[O-])c1ccccc1 ZINC001600062054 1174349278 /nfs/dbraw/zinc/34/92/78/1174349278.db2.gz LZGFIMZSBUFTFY-ZDUSSCGKSA-N -1 1 259.309 1.976 20 0 CDADMM Cc1cc(C(=O)N[C@]2(C)CN3CCC2CC3)oc1C(=O)[O-] ZINC001600090104 1174358484 /nfs/dbraw/zinc/35/84/84/1174358484.db2.gz UEMCBRUCRHZEMD-OAHLLOKOSA-N -1 1 292.335 1.500 20 0 CDADMM Cc1cc(CN)oc1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001600192378 1174398615 /nfs/dbraw/zinc/39/86/15/1174398615.db2.gz XSXQAVFCKSJVCA-UHFFFAOYSA-N -1 1 294.351 1.954 20 0 CDADMM Cc1ccc(CN[C@H]2CCO[C@H]2C(=O)[O-])nc1Cl ZINC001600418037 1174469165 /nfs/dbraw/zinc/46/91/65/1174469165.db2.gz OSSZZQYLTWAUSE-VHSXEESVSA-N -1 1 270.716 1.375 20 0 CDADMM Cc1ccccc1[C@H](C(=O)[O-])N1CC[C@@](O)(C(F)F)C1 ZINC001600567365 1174508950 /nfs/dbraw/zinc/50/89/50/1174508950.db2.gz MJPIDMCYUDHAHX-RISCZKNCSA-N -1 1 285.290 1.823 20 0 CDADMM Cc1nc([C@H](C)NCCC(=O)NCCC(=O)[O-])c(C)s1 ZINC001600688135 1174564060 /nfs/dbraw/zinc/56/40/60/1174564060.db2.gz QZZOUNBDEGAOEE-QMMMGPOBSA-N -1 1 299.396 1.392 20 0 CDADMM CN(Cc1ccsc1)c1ccnc(-c2nnn[n-]2)c1 ZINC000103621949 1174684644 /nfs/dbraw/zinc/68/46/44/1174684644.db2.gz MTFWNZXKBQNVQV-UHFFFAOYSA-N -1 1 272.337 1.960 20 0 CDADMM CN(Cc1ccsc1)c1ccnc(-c2nn[n-]n2)c1 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CC(C)[C@H]1CN(C)CCN1C(=O)c1cncc(C(=O)[O-])c1 ZINC000833471946 605112399 /nfs/dbraw/zinc/11/23/99/605112399.db2.gz RVVGUFNOFDZKHE-CYBMUJFWSA-N -1 1 291.351 1.192 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CC1(C)C ZINC000833620111 605114593 /nfs/dbraw/zinc/11/45/93/605114593.db2.gz KFMZMHKNCFHZCN-WDEREUQCSA-N -1 1 268.357 1.040 20 0 CDADMM CC(C)C[C@@H](NC(=O)[O-])C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000824211093 605124418 /nfs/dbraw/zinc/12/44/18/605124418.db2.gz MTZXIARCZALXRM-WDEREUQCSA-N -1 1 294.355 1.586 20 0 CDADMM CC(=O)N1CCN(C[C@H]2CC(C(=O)[O-])=C(C)O2)C(C)(C)C1 ZINC000833390836 605383979 /nfs/dbraw/zinc/38/39/79/605383979.db2.gz JZLLNHZUILBWTQ-GFCCVEGCSA-N -1 1 296.367 1.077 20 0 CDADMM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1nnc[nH]1 ZINC000230434878 605482675 /nfs/dbraw/zinc/48/26/75/605482675.db2.gz UAFCIVBMDABXSF-ZCFIWIBFSA-N -1 1 293.258 1.525 20 0 CDADMM CCC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820833182 606137818 /nfs/dbraw/zinc/13/78/18/606137818.db2.gz SSIJDZSJSZUTDF-UHFFFAOYSA-N -1 1 266.282 1.064 20 0 CDADMM CCC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820833182 606137819 /nfs/dbraw/zinc/13/78/19/606137819.db2.gz SSIJDZSJSZUTDF-UHFFFAOYSA-N -1 1 266.282 1.064 20 0 CDADMM C[Si](C)(C)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822004153 606139862 /nfs/dbraw/zinc/13/98/62/606139862.db2.gz BHXORSHSEDCCCS-UHFFFAOYSA-N -1 1 282.401 1.962 20 0 CDADMM C[Si](C)(C)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822004153 606139863 /nfs/dbraw/zinc/13/98/63/606139863.db2.gz BHXORSHSEDCCCS-UHFFFAOYSA-N -1 1 282.401 1.962 20 0 CDADMM CCCN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)C1CC1 ZINC000821082118 606154561 /nfs/dbraw/zinc/15/45/61/606154561.db2.gz GTOZRROXWCIQDX-UHFFFAOYSA-N -1 1 290.331 1.007 20 0 CDADMM CCCN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)C1CC1 ZINC000821082118 606154563 /nfs/dbraw/zinc/15/45/63/606154563.db2.gz GTOZRROXWCIQDX-UHFFFAOYSA-N -1 1 290.331 1.007 20 0 CDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H]1CCOC1 ZINC000820512636 606181715 /nfs/dbraw/zinc/18/17/15/606181715.db2.gz MGUBYZFFKKLNHZ-HTQZYQBOSA-N -1 1 294.336 1.510 20 0 CDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H]1CCOC1 ZINC000820512636 606181716 /nfs/dbraw/zinc/18/17/16/606181716.db2.gz MGUBYZFFKKLNHZ-HTQZYQBOSA-N -1 1 294.336 1.510 20 0 CDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)c1ccncc1 ZINC000820280538 606477036 /nfs/dbraw/zinc/47/70/36/606477036.db2.gz IWCVUNZNMBWDJY-SECBINFHSA-N -1 1 282.311 1.267 20 0 CDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)c1ccncc1 ZINC000820280538 606477037 /nfs/dbraw/zinc/47/70/37/606477037.db2.gz IWCVUNZNMBWDJY-SECBINFHSA-N -1 1 282.311 1.267 20 0 CDADMM CN(Cc1ncc[nH]1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821618146 606480932 /nfs/dbraw/zinc/48/09/32/606480932.db2.gz SFPYDXFCPURVCJ-UHFFFAOYSA-N -1 1 290.718 1.275 20 0 CDADMM CN(Cc1ncc[nH]1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821618146 606480934 /nfs/dbraw/zinc/48/09/34/606480934.db2.gz SFPYDXFCPURVCJ-UHFFFAOYSA-N -1 1 290.718 1.275 20 0 CDADMM O=C(CCc1ccco1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822982733 606517405 /nfs/dbraw/zinc/51/74/05/606517405.db2.gz HKHCHVSIOUUZSG-UHFFFAOYSA-N -1 1 299.290 1.531 20 0 CDADMM O=C(CCc1ccco1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822982733 606517407 /nfs/dbraw/zinc/51/74/07/606517407.db2.gz HKHCHVSIOUUZSG-UHFFFAOYSA-N -1 1 299.290 1.531 20 0 CDADMM CC(C)(C)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819914477 606532136 /nfs/dbraw/zinc/53/21/36/606532136.db2.gz SWJUXCQJPDFFGR-UHFFFAOYSA-N -1 1 265.342 1.704 20 0 CDADMM CC(C)(C)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819914477 606532138 /nfs/dbraw/zinc/53/21/38/606532138.db2.gz SWJUXCQJPDFFGR-UHFFFAOYSA-N -1 1 265.342 1.704 20 0 CDADMM CC[C@](C)(CCO)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820852373 606791638 /nfs/dbraw/zinc/79/16/38/606791638.db2.gz AFHLMYVGSOTKNR-GFCCVEGCSA-N -1 1 296.762 1.878 20 0 CDADMM CC[C@](C)(CCO)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820852373 606791640 /nfs/dbraw/zinc/79/16/40/606791640.db2.gz AFHLMYVGSOTKNR-GFCCVEGCSA-N -1 1 296.762 1.878 20 0 CDADMM O=C(OC[C@@H]1CCCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823396676 607081430 /nfs/dbraw/zinc/08/14/30/607081430.db2.gz MDNCZFQTZGHBOE-MRVPVSSYSA-N -1 1 294.336 1.512 20 0 CDADMM O=C(OC[C@@H]1CCCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823396676 607081432 /nfs/dbraw/zinc/08/14/32/607081432.db2.gz MDNCZFQTZGHBOE-MRVPVSSYSA-N -1 1 294.336 1.512 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1Cc1cc2ccccc2o1 ZINC000823656748 607133572 /nfs/dbraw/zinc/13/35/72/607133572.db2.gz GRGPYOAMMBZFPD-UHFFFAOYSA-N -1 1 293.286 1.823 20 0 CDADMM Oc1ccc2c(c1)CN(c1cccc(-c3nnn[n-]3)n1)CC2 ZINC000826511619 607902550 /nfs/dbraw/zinc/90/25/50/607902550.db2.gz XUISRQWWEVQPTJ-UHFFFAOYSA-N -1 1 294.318 1.530 20 0 CDADMM Oc1ccc2c(c1)CN(c1cccc(-c3nn[n-]n3)n1)CC2 ZINC000826511619 607902551 /nfs/dbraw/zinc/90/25/51/607902551.db2.gz XUISRQWWEVQPTJ-UHFFFAOYSA-N -1 1 294.318 1.530 20 0 CDADMM FC(F)(F)C1=CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000826367423 607936139 /nfs/dbraw/zinc/93/61/39/607936139.db2.gz YMBCVRGAWQIDBU-UHFFFAOYSA-N -1 1 297.244 1.356 20 0 CDADMM FC(F)(F)C1=CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000826367423 607936140 /nfs/dbraw/zinc/93/61/40/607936140.db2.gz YMBCVRGAWQIDBU-UHFFFAOYSA-N -1 1 297.244 1.356 20 0 CDADMM CSc1cc(CNc2cccc(-c3nnn[n-]3)n2)ccn1 ZINC000826230342 608241926 /nfs/dbraw/zinc/24/19/26/608241926.db2.gz OJNMVMDOLGCEFD-UHFFFAOYSA-N -1 1 299.363 1.991 20 0 CDADMM CSc1cc(CNc2cccc(-c3nn[n-]n3)n2)ccn1 ZINC000826230342 608241928 /nfs/dbraw/zinc/24/19/28/608241928.db2.gz OJNMVMDOLGCEFD-UHFFFAOYSA-N -1 1 299.363 1.991 20 0 CDADMM C[C@@]1(O)CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000824843239 608304603 /nfs/dbraw/zinc/30/46/03/608304603.db2.gz BSUCVJFPSSTOMA-GFCCVEGCSA-N -1 1 294.746 1.266 20 0 CDADMM C[C@@]1(O)CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000824843239 608304604 /nfs/dbraw/zinc/30/46/04/608304604.db2.gz BSUCVJFPSSTOMA-GFCCVEGCSA-N -1 1 294.746 1.266 20 0 CDADMM c1cnc2ccc(Oc3ccc(-c4nnn[n-]4)nn3)cc2c1 ZINC000826525485 608408101 /nfs/dbraw/zinc/40/81/01/608408101.db2.gz MKTNNKMABSIBNS-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1cnc2ccc(Oc3ccc(-c4nn[n-]n4)nn3)cc2c1 ZINC000826525485 608408103 /nfs/dbraw/zinc/40/81/03/608408103.db2.gz MKTNNKMABSIBNS-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM C[C@@H]1[C@@H](C)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000824946809 608423110 /nfs/dbraw/zinc/42/31/10/608423110.db2.gz LCAVVZJBCALBFX-DTWKUNHWSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@@H]1[C@@H](C)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000824946809 608423111 /nfs/dbraw/zinc/42/31/11/608423111.db2.gz LCAVVZJBCALBFX-DTWKUNHWSA-N -1 1 259.317 1.282 20 0 CDADMM FC(F)(F)CCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826367883 608426669 /nfs/dbraw/zinc/42/66/69/608426669.db2.gz RPZIFTQQBIJDHC-UHFFFAOYSA-N -1 1 273.222 1.411 20 0 CDADMM FC(F)(F)CCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826367883 608426671 /nfs/dbraw/zinc/42/66/71/608426671.db2.gz RPZIFTQQBIJDHC-UHFFFAOYSA-N -1 1 273.222 1.411 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NCC12CCC(CC1)C2 ZINC000826515064 608438170 /nfs/dbraw/zinc/43/81/70/608438170.db2.gz LQWXNYCKCDUAIH-UHFFFAOYSA-N -1 1 271.328 1.649 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NCC12CCC(CC1)C2 ZINC000826515064 608438171 /nfs/dbraw/zinc/43/81/71/608438171.db2.gz LQWXNYCKCDUAIH-UHFFFAOYSA-N -1 1 271.328 1.649 20 0 CDADMM Cc1n[nH]cc1CCCNc1nc(-c2nn[n-]n2)ccc1C ZINC000826280808 608542945 /nfs/dbraw/zinc/54/29/45/608542945.db2.gz QYTSJDNQWIQPSQ-UHFFFAOYSA-N -1 1 298.354 1.646 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@@]2(CCOC2)C1 ZINC000826280435 608546177 /nfs/dbraw/zinc/54/61/77/608546177.db2.gz BMLTZTPYRGCTDM-CQSZACIVSA-N -1 1 286.339 1.187 20 0 CDADMM C[C@@H]1CCCC[C@H]1OCCn1ccnc1-c1nnn[n-]1 ZINC000824936076 608893978 /nfs/dbraw/zinc/89/39/78/608893978.db2.gz DRVXSYKMHDYBPE-GHMZBOCLSA-N -1 1 276.344 1.659 20 0 CDADMM C[C@@H]1CCCC[C@H]1OCCn1ccnc1-c1nn[n-]n1 ZINC000824936076 608893982 /nfs/dbraw/zinc/89/39/82/608893982.db2.gz DRVXSYKMHDYBPE-GHMZBOCLSA-N -1 1 276.344 1.659 20 0 CDADMM CC1(C)CC[C@@H](C(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000824795772 609435385 /nfs/dbraw/zinc/43/53/85/609435385.db2.gz CYTUVSDDWRXZCZ-SSDOTTSWSA-N -1 1 275.316 1.112 20 0 CDADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@@H](O)[C@H](F)C1 ZINC000890687897 617276152 /nfs/dbraw/zinc/27/61/52/617276152.db2.gz NXTHAPMGBREUJK-HTQZYQBOSA-N -1 1 275.226 1.215 20 0 CDADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H](O)[C@@H](F)C1 ZINC000890705430 617290509 /nfs/dbraw/zinc/29/05/09/617290509.db2.gz NPSHSKSRDVCTPD-UWVGGRQHSA-N -1 1 273.691 1.591 20 0 CDADMM O=C(NCC[C@H](O)C1CC1)c1c([O-])cccc1Cl ZINC000890723225 617306589 /nfs/dbraw/zinc/30/65/89/617306589.db2.gz UTBOGFMXMRANKL-JTQLQIEISA-N -1 1 269.728 1.936 20 0 CDADMM O=C(N[C@H]1COC[C@@H]1C1CC1)c1ccc([O-])c(F)c1 ZINC000891051576 617356911 /nfs/dbraw/zinc/35/69/11/617356911.db2.gz VPYDDZMLYHHZAY-PWSUYJOCSA-N -1 1 265.284 1.686 20 0 CDADMM CC(C)N(CC(N)=O)Cc1ccccc1C(=O)[O-] ZINC000042430001 617370589 /nfs/dbraw/zinc/37/05/89/617370589.db2.gz KKHWJCIRLAVUSE-UHFFFAOYSA-N -1 1 250.298 1.081 20 0 CDADMM COCc1nc(NCCc2ccc(OC)cc2)cc(=O)[n-]1 ZINC000891420403 617388607 /nfs/dbraw/zinc/38/86/07/617388607.db2.gz ZVENJPOTEJLVDP-UHFFFAOYSA-N 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FMTULKJEMQRIOC-JTQLQIEISA-N -1 1 299.396 1.294 20 0 CDADMM C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccncc1-c1nn[nH]n1 ZINC001605445429 1163568292 /nfs/dbraw/zinc/56/82/92/1163568292.db2.gz PNZZNLCIYWOTIN-JTQLQIEISA-N -1 1 288.355 1.261 20 0 CDADMM C[C@H]1COC(C)(C)C[N@H+]1Cc1ccncc1-c1nn[nH]n1 ZINC001605445429 1163568296 /nfs/dbraw/zinc/56/82/96/1163568296.db2.gz PNZZNLCIYWOTIN-JTQLQIEISA-N -1 1 288.355 1.261 20 0 CDADMM CCN1CCN(C(=O)NCCCCCCC(=O)[O-])[C@H](C)C1 ZINC001605480429 1163581183 /nfs/dbraw/zinc/58/11/83/1163581183.db2.gz WAFYDBGXXVMTOJ-CYBMUJFWSA-N -1 1 299.415 1.757 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H]3CCC[C@@H]32)n1 ZINC001605560578 1163609284 /nfs/dbraw/zinc/60/92/84/1163609284.db2.gz BQZCHAWJWKARPI-PWSUYJOCSA-N -1 1 285.355 1.734 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H]3CCC[C@@H]32)n1 ZINC001605560578 1163609286 /nfs/dbraw/zinc/60/92/86/1163609286.db2.gz BQZCHAWJWKARPI-PWSUYJOCSA-N -1 1 285.355 1.734 20 0 CDADMM Cc1cc(NC[C@@H](C)C[C@H](C)O)nc(-c2nnn[n-]2)c1 ZINC001605725951 1163651497 /nfs/dbraw/zinc/65/14/97/1163651497.db2.gz DHTSGNQWRSXWKP-UWVGGRQHSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1cc(NC[C@@H](C)C[C@H](C)O)nc(-c2nn[n-]n2)c1 ZINC001605725951 1163651502 /nfs/dbraw/zinc/65/15/02/1163651502.db2.gz DHTSGNQWRSXWKP-UWVGGRQHSA-N -1 1 276.344 1.389 20 0 CDADMM CCc1nnc(COC(=O)CC(C)(C)CC(=O)[O-])[nH]1 ZINC001605852843 1163690590 /nfs/dbraw/zinc/69/05/90/1163690590.db2.gz JWGAXPAQDQYPBG-UHFFFAOYSA-N -1 1 269.301 1.301 20 0 CDADMM Cc1ccc(N2C[C@@H](C)OC(C)(C)C2)c(-c2nnn[n-]2)n1 ZINC001605865090 1163695840 /nfs/dbraw/zinc/69/58/40/1163695840.db2.gz RFLJPOVOICKKOX-SNVBAGLBSA-N -1 1 288.355 1.574 20 0 CDADMM Cc1ccc(N2C[C@@H](C)OC(C)(C)C2)c(-c2nn[n-]n2)n1 ZINC001605865090 1163695842 /nfs/dbraw/zinc/69/58/42/1163695842.db2.gz RFLJPOVOICKKOX-SNVBAGLBSA-N -1 1 288.355 1.574 20 0 CDADMM Cc1ccc(N[C@H]2COC[C@@H]2C)nc1-c1nnn[n-]1 ZINC001605871540 1163699419 /nfs/dbraw/zinc/69/94/19/1163699419.db2.gz FZDZRXUILYWORV-IUCAKERBSA-N -1 1 260.301 1.017 20 0 CDADMM Cc1ccc(N[C@H]2COC[C@@H]2C)nc1-c1nn[n-]n1 ZINC001605871540 1163699423 /nfs/dbraw/zinc/69/94/23/1163699423.db2.gz FZDZRXUILYWORV-IUCAKERBSA-N -1 1 260.301 1.017 20 0 CDADMM Cc1ccc(NC[C@@H]2CCC[C@H](O)C2)nc1-c1nnn[n-]1 ZINC001605875058 1163703237 /nfs/dbraw/zinc/70/32/37/1163703237.db2.gz XAQUTQYWVMVENC-MNOVXSKESA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(NC[C@@H]2CCC[C@H](O)C2)nc1-c1nn[n-]n1 ZINC001605875058 1163703245 /nfs/dbraw/zinc/70/32/45/1163703245.db2.gz XAQUTQYWVMVENC-MNOVXSKESA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccnc(C)c1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001605954041 1163725870 /nfs/dbraw/zinc/72/58/70/1163725870.db2.gz YCUFOCCSTYTTIF-UHFFFAOYSA-N -1 1 284.279 1.724 20 0 CDADMM Cc1ccnc(C)c1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001605954041 1163725876 /nfs/dbraw/zinc/72/58/76/1163725876.db2.gz YCUFOCCSTYTTIF-UHFFFAOYSA-N -1 1 284.279 1.724 20 0 CDADMM CN(C)C(=O)C1(NCc2ccc(C(=O)[O-])s2)CC1 ZINC001605991016 1163738731 /nfs/dbraw/zinc/73/87/31/1163738731.db2.gz DGRKGQNTQRHEMA-UHFFFAOYSA-N -1 1 268.338 1.157 20 0 CDADMM CN(C)Cc1ccnc(NC(=O)NCCCC(=O)[O-])c1 ZINC001606036502 1163752857 /nfs/dbraw/zinc/75/28/57/1163752857.db2.gz IZJOSNMYXCTZIA-UHFFFAOYSA-N -1 1 280.328 1.130 20 0 CDADMM Cc1nc(COc2cnc(-c3nn[n-]n3)nc2)c(C)s1 ZINC001606044200 1163755420 /nfs/dbraw/zinc/75/54/20/1163755420.db2.gz SRUBWGNTWLILBL-UHFFFAOYSA-N -1 1 289.324 1.309 20 0 CDADMM Cc1ncc(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)o1 ZINC001606089214 1163767642 /nfs/dbraw/zinc/76/76/42/1163767642.db2.gz ICUSDMZVTZGUHV-UHFFFAOYSA-N -1 1 298.310 1.443 20 0 CDADMM Cc1ncc(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)o1 ZINC001606089214 1163767645 /nfs/dbraw/zinc/76/76/45/1163767645.db2.gz ICUSDMZVTZGUHV-UHFFFAOYSA-N -1 1 298.310 1.443 20 0 CDADMM Cc1cnc(C)nc1NCc1ccc(-c2nn[n-]n2)s1 ZINC001606088083 1163768708 /nfs/dbraw/zinc/76/87/08/1163768708.db2.gz DTWUHKHFAMWJMA-UHFFFAOYSA-N -1 1 287.352 1.947 20 0 CDADMM Cc1nsc(N2CC[C@H]2C(F)F)c1-c1nn[n-]n1 ZINC001606145190 1163787977 /nfs/dbraw/zinc/78/79/77/1163787977.db2.gz YUISPAFQNZGVCE-YFKPBYRVSA-N -1 1 272.284 1.475 20 0 CDADMM Cc1nsc(NC(=O)N2CCCC2)c1-c1nnn[n-]1 ZINC001606149489 1163789208 /nfs/dbraw/zinc/78/92/08/1163789208.db2.gz SHELDAHLCONKKG-UHFFFAOYSA-N -1 1 279.329 1.259 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CCC(F)(F)C1 ZINC001606167410 1163793130 /nfs/dbraw/zinc/79/31/30/1163793130.db2.gz MFKBKPFDOBMVFV-ZETCQYMHSA-N -1 1 297.265 1.686 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CCC(F)(F)C1 ZINC001606167410 1163793135 /nfs/dbraw/zinc/79/31/35/1163793135.db2.gz MFKBKPFDOBMVFV-ZETCQYMHSA-N -1 1 297.265 1.686 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@]1(C)CC=CCC1 ZINC001606166930 1163793728 /nfs/dbraw/zinc/79/37/28/1163793728.db2.gz IGJHWJJLAYEWSD-AWEZNQCLSA-N -1 1 287.323 1.997 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@]1(C)CC=CCC1 ZINC001606166930 1163793731 /nfs/dbraw/zinc/79/37/31/1163793731.db2.gz IGJHWJJLAYEWSD-AWEZNQCLSA-N -1 1 287.323 1.997 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCCC12CCC2 ZINC001606165268 1163794076 /nfs/dbraw/zinc/79/40/76/1163794076.db2.gz BSFLTVZRQYVRDM-UHFFFAOYSA-N -1 1 287.323 1.927 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCCC12CCC2 ZINC001606165268 1163794083 /nfs/dbraw/zinc/79/40/83/1163794083.db2.gz BSFLTVZRQYVRDM-UHFFFAOYSA-N -1 1 287.323 1.927 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1-c1nnc([C@H]2CCCO2)o1 ZINC001606164652 1163794270 /nfs/dbraw/zinc/79/42/70/1163794270.db2.gz AHZDBLSZBZUEGH-MRVPVSSYSA-N -1 1 288.267 1.670 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1-c1nnc([C@H]2CCCO2)o1 ZINC001606164652 1163794276 /nfs/dbraw/zinc/79/42/76/1163794276.db2.gz AHZDBLSZBZUEGH-MRVPVSSYSA-N -1 1 288.267 1.670 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCOC(C)(C)C ZINC001606170896 1163796847 /nfs/dbraw/zinc/79/68/47/1163796847.db2.gz RVFNNYCBAXLMMW-UHFFFAOYSA-N -1 1 294.311 1.740 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCOC(C)(C)C ZINC001606170896 1163796852 /nfs/dbraw/zinc/79/68/52/1163796852.db2.gz RVFNNYCBAXLMMW-UHFFFAOYSA-N -1 1 294.311 1.740 20 0 CDADMM Clc1ncccc1Oc1cnc(-c2nnn[n-]2)cn1 ZINC001606199421 1163805807 /nfs/dbraw/zinc/80/58/07/1163805807.db2.gz INJGZVHZUQSMNT-UHFFFAOYSA-N -1 1 275.659 1.497 20 0 CDADMM Clc1ncccc1Oc1cnc(-c2nn[n-]n2)cn1 ZINC001606199421 1163805810 /nfs/dbraw/zinc/80/58/10/1163805810.db2.gz INJGZVHZUQSMNT-UHFFFAOYSA-N -1 1 275.659 1.497 20 0 CDADMM CN1Cc2ccccc2[C@@H](Nc2nccnc2C(=O)[O-])C1 ZINC001606258204 1163829261 /nfs/dbraw/zinc/82/92/61/1163829261.db2.gz BSVHXEQBQWCYCC-LBPRGKRZSA-N -1 1 284.319 1.773 20 0 CDADMM FC1(F)CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001606301022 1163844966 /nfs/dbraw/zinc/84/49/66/1163844966.db2.gz LCEHRUXMFKANTB-UHFFFAOYSA-N -1 1 293.281 1.282 20 0 CDADMM FC1(F)CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001606301022 1163844969 /nfs/dbraw/zinc/84/49/69/1163844969.db2.gz LCEHRUXMFKANTB-UHFFFAOYSA-N -1 1 293.281 1.282 20 0 CDADMM FC1(F)CCC[C@H](CNc2ncncc2-c2nn[n-]n2)C1 ZINC001606299918 1163846469 /nfs/dbraw/zinc/84/64/69/1163846469.db2.gz LWXGXWBAJKILIA-QMMMGPOBSA-N -1 1 295.297 1.894 20 0 CDADMM Fc1ccccc1Sc1ncncc1-c1nnn[n-]1 ZINC001606336316 1163866354 /nfs/dbraw/zinc/86/63/54/1163866354.db2.gz XVYYXAFSDVCXLM-UHFFFAOYSA-N -1 1 274.284 1.947 20 0 CDADMM Fc1ccccc1Sc1ncncc1-c1nn[n-]n1 ZINC001606336316 1163866357 /nfs/dbraw/zinc/86/63/57/1163866357.db2.gz XVYYXAFSDVCXLM-UHFFFAOYSA-N -1 1 274.284 1.947 20 0 CDADMM COC(=O)c1ccc(CN[C@@H](CC(F)(F)F)C(=O)[O-])o1 ZINC001606588805 1163934987 /nfs/dbraw/zinc/93/49/87/1163934987.db2.gz FPMFNRIDTPDDHU-ZETCQYMHSA-N -1 1 295.213 1.561 20 0 CDADMM O=C(NCC1CC(F)(F)C1)c1ccsc1-c1nnn[n-]1 ZINC001606719298 1163970451 /nfs/dbraw/zinc/97/04/51/1163970451.db2.gz JUCKAVVMTJLWFS-UHFFFAOYSA-N -1 1 299.306 1.703 20 0 CDADMM O=C(NCC1CC(F)(F)C1)c1ccsc1-c1nn[n-]n1 ZINC001606719298 1163970454 /nfs/dbraw/zinc/97/04/54/1163970454.db2.gz JUCKAVVMTJLWFS-UHFFFAOYSA-N -1 1 299.306 1.703 20 0 CDADMM O=C(NCCC[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)o1 ZINC001606766285 1163987838 /nfs/dbraw/zinc/98/78/38/1163987838.db2.gz SFQZWCZMDWNARV-VIFPVBQESA-N -1 1 291.311 1.006 20 0 CDADMM O=C(NCCC[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)o1 ZINC001606766285 1163987843 /nfs/dbraw/zinc/98/78/43/1163987843.db2.gz SFQZWCZMDWNARV-VIFPVBQESA-N -1 1 291.311 1.006 20 0 CDADMM O=C(Nc1cccc(F)c1F)c1ccc(-c2nn[n-]n2)o1 ZINC001606935488 1164034853 /nfs/dbraw/zinc/03/48/53/1164034853.db2.gz IRSWDBMYRYGZPT-UHFFFAOYSA-N -1 1 291.217 1.990 20 0 CDADMM O=C(OCC1(F)CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606964907 1164041008 /nfs/dbraw/zinc/04/10/08/1164041008.db2.gz CUSBUVVQIAJSCC-UHFFFAOYSA-N -1 1 280.234 1.665 20 0 CDADMM O=C(OCC1(F)CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606964907 1164041018 /nfs/dbraw/zinc/04/10/18/1164041018.db2.gz CUSBUVVQIAJSCC-UHFFFAOYSA-N -1 1 280.234 1.665 20 0 CDADMM CO[C@@H]1CN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)C[C@H]1O ZINC001606999084 1164056009 /nfs/dbraw/zinc/05/60/09/1164056009.db2.gz BEEFMAIKBJHICS-IQJOONFLSA-N -1 1 269.297 1.039 20 0 CDADMM O[C@H](COc1cccnc1-c1nnn[n-]1)CC1CCCC1 ZINC001607098571 1164080973 /nfs/dbraw/zinc/08/09/73/1164080973.db2.gz YSHYVBNCKJIRJH-NSHDSACASA-N -1 1 289.339 1.582 20 0 CDADMM O[C@H](COc1cccnc1-c1nn[n-]n1)CC1CCCC1 ZINC001607098571 1164080982 /nfs/dbraw/zinc/08/09/82/1164080982.db2.gz YSHYVBNCKJIRJH-NSHDSACASA-N -1 1 289.339 1.582 20 0 CDADMM OCC[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccco1 ZINC001607107251 1164086375 /nfs/dbraw/zinc/08/63/75/1164086375.db2.gz PUHMLMMAZMQTHD-JTQLQIEISA-N -1 1 289.295 1.266 20 0 CDADMM OCC[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccco1 ZINC001607107251 1164086380 /nfs/dbraw/zinc/08/63/80/1164086380.db2.gz PUHMLMMAZMQTHD-JTQLQIEISA-N -1 1 289.295 1.266 20 0 CDADMM c1ccc([C@H]2C[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001607131055 1164111091 /nfs/dbraw/zinc/11/10/91/1164111091.db2.gz MUORAXFZBGJODV-VXGBXAGGSA-N -1 1 293.334 1.872 20 0 CDADMM c1ccc([C@H]2C[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001607131055 1164111094 /nfs/dbraw/zinc/11/10/94/1164111094.db2.gz MUORAXFZBGJODV-VXGBXAGGSA-N -1 1 293.334 1.872 20 0 CDADMM Cc1ccc(Cl)cc1C(=O)O[C@H]1C[C@H](C(=O)[O-])[N@@H+](C)C1 ZINC001607787551 1164296083 /nfs/dbraw/zinc/29/60/83/1164296083.db2.gz JUFHBSUDPLIWAY-CMPLNLGQSA-N -1 1 297.738 1.963 20 0 CDADMM Cc1noc([C@H]2CCCN(Cc3ccc(C(=O)[O-])[nH]3)C2)n1 ZINC001608025393 1164382483 /nfs/dbraw/zinc/38/24/83/1164382483.db2.gz VHDBXEBGBABUER-JTQLQIEISA-N -1 1 290.323 1.784 20 0 CDADMM O=C([O-])[C@H](CNC(=O)CCc1c[nH]nn1)CC1CCCC1 ZINC001608317181 1164488989 /nfs/dbraw/zinc/48/89/89/1164488989.db2.gz QZPARUQUZYLFTA-NSHDSACASA-N -1 1 294.355 1.135 20 0 CDADMM O=C([O-])[C@H](CNC(=O)CCc1cnn[nH]1)CC1CCCC1 ZINC001608317181 1164488991 /nfs/dbraw/zinc/48/89/91/1164488991.db2.gz QZPARUQUZYLFTA-NSHDSACASA-N -1 1 294.355 1.135 20 0 CDADMM O=C([O-])c1cccc(NC(=O)c2ccc3cncn3c2)c1O ZINC001608519324 1164530545 /nfs/dbraw/zinc/53/05/45/1164530545.db2.gz UJQSYXJTFFAVPQ-UHFFFAOYSA-N -1 1 297.270 1.990 20 0 CDADMM O=C([O-])[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC001608633697 1164582328 /nfs/dbraw/zinc/58/23/28/1164582328.db2.gz AFCJERYRRVWBJN-GXSJLCMTSA-N -1 1 283.711 1.872 20 0 CDADMM O=C([O-])Cc1occc1C(=O)NCc1ccc2cncn2c1 ZINC001608794298 1164639899 /nfs/dbraw/zinc/63/98/99/1164639899.db2.gz SVDXNJLQZSKIOK-UHFFFAOYSA-N -1 1 299.286 1.484 20 0 CDADMM O=C([O-])c1cnc(CN[C@@H]2C[C@@H](O)C23CCC3)s1 ZINC001608972106 1164699073 /nfs/dbraw/zinc/69/90/73/1164699073.db2.gz LKZRBQJBTJASCM-RKDXNWHRSA-N -1 1 268.338 1.234 20 0 CDADMM O=C([O-])c1ccc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)cc1F ZINC001609033922 1164735514 /nfs/dbraw/zinc/73/55/14/1164735514.db2.gz WWDCPRGIZOQJCD-OAHLLOKOSA-N -1 1 292.310 1.236 20 0 CDADMM CC(C)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001609087039 1164762865 /nfs/dbraw/zinc/76/28/65/1164762865.db2.gz YNNKHLAMKMFPPD-UHFFFAOYSA-N -1 1 253.287 1.022 20 0 CDADMM CC(C)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001609087039 1164762868 /nfs/dbraw/zinc/76/28/68/1164762868.db2.gz YNNKHLAMKMFPPD-UHFFFAOYSA-N -1 1 253.287 1.022 20 0 CDADMM C[C@@H](Cc1cccs1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001609115708 1164777508 /nfs/dbraw/zinc/77/75/08/1164777508.db2.gz HLYZOOOEUPJETL-QMMMGPOBSA-N -1 1 287.352 1.761 20 0 CDADMM C[C@@H](Cc1cccs1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001609115708 1164777514 /nfs/dbraw/zinc/77/75/14/1164777514.db2.gz HLYZOOOEUPJETL-QMMMGPOBSA-N -1 1 287.352 1.761 20 0 CDADMM CC1(CCNC(=O)Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001609148796 1164797198 /nfs/dbraw/zinc/79/71/98/1164797198.db2.gz MTDYMOHUYHPFNS-UHFFFAOYSA-N -1 1 287.327 1.573 20 0 CDADMM CC1(CCNC(=O)Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001609148796 1164797203 /nfs/dbraw/zinc/79/72/03/1164797203.db2.gz MTDYMOHUYHPFNS-UHFFFAOYSA-N -1 1 287.327 1.573 20 0 CDADMM C[C@@H]1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001609162683 1164808950 /nfs/dbraw/zinc/80/89/50/1164808950.db2.gz HLJCZVXCVVRZJJ-QMTHXVAHSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@@H]1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001609162683 1164808960 /nfs/dbraw/zinc/80/89/60/1164808960.db2.gz HLJCZVXCVVRZJJ-QMTHXVAHSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@H]1CCCCCN1Cn1cccc(-c2nnn[n-]2)c1=O ZINC001609165508 1164811090 /nfs/dbraw/zinc/81/10/90/1164811090.db2.gz OWRBUPQWYHTIPX-NSHDSACASA-N -1 1 288.355 1.250 20 0 CDADMM CC/C=C/CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609203272 1164842263 /nfs/dbraw/zinc/84/22/63/1164842263.db2.gz FHNZYDDHUTVLJO-ONEGZZNKSA-N -1 1 263.326 1.624 20 0 CDADMM CC[C@@H]1CCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001609200990 1164843436 /nfs/dbraw/zinc/84/34/36/1164843436.db2.gz USNUZKNFYRFKID-RXMQYKEDSA-N -1 1 270.749 1.965 20 0 CDADMM CC[C@@H]1CCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609200990 1164843441 /nfs/dbraw/zinc/84/34/41/1164843441.db2.gz USNUZKNFYRFKID-RXMQYKEDSA-N -1 1 270.749 1.965 20 0 CDADMM CCN(Cc1ccccn1)c1cc(C)nc(-c2nnn[n-]2)c1 ZINC001609225409 1164855094 /nfs/dbraw/zinc/85/50/94/1164855094.db2.gz JUTZPBKGNXHMLV-UHFFFAOYSA-N -1 1 295.350 1.992 20 0 CDADMM CCN(Cc1ccccn1)c1cc(C)nc(-c2nn[n-]n2)c1 ZINC001609225409 1164855101 /nfs/dbraw/zinc/85/51/01/1164855101.db2.gz JUTZPBKGNXHMLV-UHFFFAOYSA-N -1 1 295.350 1.992 20 0 CDADMM CCO[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001609241789 1164864629 /nfs/dbraw/zinc/86/46/29/1164864629.db2.gz VZLLGUCECLTDTP-MWLCHTKSSA-N -1 1 289.343 1.416 20 0 CDADMM CCO[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001609241789 1164864634 /nfs/dbraw/zinc/86/46/34/1164864634.db2.gz VZLLGUCECLTDTP-MWLCHTKSSA-N -1 1 289.343 1.416 20 0 CDADMM Cc1cc(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)cs1 ZINC001609395474 1164925877 /nfs/dbraw/zinc/92/58/77/1164925877.db2.gz JOCMGCVHUCPUQH-UHFFFAOYSA-N -1 1 289.324 1.520 20 0 CDADMM Cc1cc(C(=O)OCc2cccnc2-c2nnn[n-]2)oc1C ZINC001609395746 1164926779 /nfs/dbraw/zinc/92/67/79/1164926779.db2.gz FJMXLVQDMNHRLA-UHFFFAOYSA-N -1 1 299.290 1.829 20 0 CDADMM Cc1cc(C(=O)OCc2cccnc2-c2nn[n-]n2)oc1C ZINC001609395746 1164926781 /nfs/dbraw/zinc/92/67/81/1164926781.db2.gz FJMXLVQDMNHRLA-UHFFFAOYSA-N -1 1 299.290 1.829 20 0 CDADMM Cc1cc([C@@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)no1 ZINC001609399561 1164928967 /nfs/dbraw/zinc/92/89/67/1164928967.db2.gz FSSMRJJTUFQDII-NSHDSACASA-N -1 1 298.310 1.295 20 0 CDADMM Cc1cc([C@@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)no1 ZINC001609399561 1164928971 /nfs/dbraw/zinc/92/89/71/1164928971.db2.gz FSSMRJJTUFQDII-NSHDSACASA-N -1 1 298.310 1.295 20 0 CDADMM Cc1ncc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)cn1 ZINC001609455807 1164960127 /nfs/dbraw/zinc/96/01/27/1164960127.db2.gz NZWDISQRMAPDNS-UHFFFAOYSA-N -1 1 297.326 1.178 20 0 CDADMM Cc1ncc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)cn1 ZINC001609455807 1164960134 /nfs/dbraw/zinc/96/01/34/1164960134.db2.gz NZWDISQRMAPDNS-UHFFFAOYSA-N -1 1 297.326 1.178 20 0 CDADMM FC(F)C1CCC(Nc2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001609485734 1164970175 /nfs/dbraw/zinc/97/01/75/1164970175.db2.gz UWIDKTLAVBWTGC-UHFFFAOYSA-N -1 1 295.297 1.893 20 0 CDADMM FC(F)C1CCC(Nc2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001609485734 1164970177 /nfs/dbraw/zinc/97/01/77/1164970177.db2.gz UWIDKTLAVBWTGC-UHFFFAOYSA-N -1 1 295.297 1.893 20 0 CDADMM C/C(=C/CN[C@H](C)c1nnc2ccccn21)C(=O)[O-] ZINC001609503607 1164978277 /nfs/dbraw/zinc/97/82/77/1164978277.db2.gz UHFPPGSFOTWSPI-ABRRARGCSA-N -1 1 260.297 1.411 20 0 CDADMM C/C(=C\CN1CCN(c2cnccc2C)CC1)C(=O)[O-] ZINC001609503569 1164978537 /nfs/dbraw/zinc/97/85/37/1164978537.db2.gz SXFAYVSOOAMVTF-YIXHJXPBSA-N -1 1 275.352 1.543 20 0 CDADMM O=C(CC[C@H]1CCCO1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609521962 1164980710 /nfs/dbraw/zinc/98/07/10/1164980710.db2.gz ZRMZDIXHODZLMO-SECBINFHSA-N -1 1 288.311 1.159 20 0 CDADMM O=C(CC[C@H]1CCCO1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609521962 1164980711 /nfs/dbraw/zinc/98/07/11/1164980711.db2.gz ZRMZDIXHODZLMO-SECBINFHSA-N -1 1 288.311 1.159 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N(C1CCC1)C1CCC1 ZINC001609583196 1164997175 /nfs/dbraw/zinc/99/71/75/1164997175.db2.gz QSARRBNDVZSDKG-UHFFFAOYSA-N -1 1 298.350 1.809 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N(C1CCC1)C1CCC1 ZINC001609583196 1164997181 /nfs/dbraw/zinc/99/71/81/1164997181.db2.gz QSARRBNDVZSDKG-UHFFFAOYSA-N -1 1 298.350 1.809 20 0 CDADMM c1ccc([C@H]2CCN2c2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001609616869 1165012524 /nfs/dbraw/zinc/01/25/24/1165012524.db2.gz IUONADLBAGMQHL-GFCCVEGCSA-N -1 1 279.307 1.608 20 0 CDADMM c1ccc([C@H]2CCN2c2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001609616869 1165012529 /nfs/dbraw/zinc/01/25/29/1165012529.db2.gz IUONADLBAGMQHL-GFCCVEGCSA-N -1 1 279.307 1.608 20 0 CDADMM c1ccc2c(c1)CCN(c1cccnc1-c1nnn[n-]1)C2 ZINC001609618213 1165015538 /nfs/dbraw/zinc/01/55/38/1165015538.db2.gz YTJGOFYZRFSCND-UHFFFAOYSA-N -1 1 278.319 1.824 20 0 CDADMM c1ccc2c(c1)CCN(c1cccnc1-c1nn[n-]n1)C2 ZINC001609618213 1165015542 /nfs/dbraw/zinc/01/55/42/1165015542.db2.gz YTJGOFYZRFSCND-UHFFFAOYSA-N -1 1 278.319 1.824 20 0 CDADMM CCc1oc(C(=O)[O-])cc1CN[C@@H]1C(=O)NCC[C@H]1C ZINC001610076705 1165205631 /nfs/dbraw/zinc/20/56/31/1165205631.db2.gz KUCVSUCFKMISRI-PELKAZGASA-N -1 1 280.324 1.154 20 0 CDADMM COCC1=CCN(Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC001610249151 1165271784 /nfs/dbraw/zinc/27/17/84/1165271784.db2.gz IEFZXZGSRIBCRT-UHFFFAOYSA-N -1 1 250.298 1.491 20 0 CDADMM Cc1sc(C(=O)[O-])cc1CN(C)C1(C(N)=O)CCCC1 ZINC001610590358 1165368049 /nfs/dbraw/zinc/36/80/49/1165368049.db2.gz TZRAJGGPZZZTSP-UHFFFAOYSA-N -1 1 296.392 1.985 20 0 CDADMM Cc1sc(C(=O)[O-])cc1C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC001610590785 1165369910 /nfs/dbraw/zinc/36/99/10/1165369910.db2.gz PCRPCBHLNBXBAF-MRVPVSSYSA-N -1 1 269.322 1.661 20 0 CDADMM Cn1cccc1[C@@H]1COCCN1CC1(C(=O)[O-])CC1 ZINC001610608439 1165376580 /nfs/dbraw/zinc/37/65/80/1165376580.db2.gz HVZDRARLEKKJRP-LBPRGKRZSA-N -1 1 264.325 1.263 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1CC1OCCO1 ZINC001610736800 1165422609 /nfs/dbraw/zinc/42/26/09/1165422609.db2.gz ZVBUVSYKPJSQHS-STQMWFEESA-N -1 1 283.368 1.715 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(Cc3cccc(Cl)n3)C[C@@H]21 ZINC001610804052 1165447739 /nfs/dbraw/zinc/44/77/39/1165447739.db2.gz ZXRHQEPITKVXET-JZYVYDRUSA-N -1 1 252.701 1.497 20 0 CDADMM O=C([O-])c1ccc(-c2nc([C@@H]3CCCN3)no2)nc1 ZINC001610817980 1165451803 /nfs/dbraw/zinc/45/18/03/1165451803.db2.gz AKJDUUNXMWYVGK-QMMMGPOBSA-N -1 1 260.253 1.254 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cc2c(cn1)OCCC2 ZINC001611378970 1165490688 /nfs/dbraw/zinc/49/06/88/1165490688.db2.gz ARFSWAXGJLXABP-UHFFFAOYSA-N -1 1 260.253 1.088 20 0 CDADMM Cc1nc(S(=O)(=O)[C@H](C)c2ccccc2F)n[n-]1 ZINC001318037190 1165602709 /nfs/dbraw/zinc/60/27/09/1165602709.db2.gz LVRXYGOZGWVVCI-SSDOTTSWSA-N -1 1 269.301 1.787 20 0 CDADMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)OCc1nn[n-]n1 ZINC001649225525 1166137494 /nfs/dbraw/zinc/13/74/94/1166137494.db2.gz FTUUBWPDNQBYGL-UTUOFQBUSA-N -1 1 296.371 1.720 20 0 CDADMM CN(C)c1ncccc1NC(=O)c1ccc([O-])cn1 ZINC001631648965 1166293649 /nfs/dbraw/zinc/29/36/49/1166293649.db2.gz FDGCKJMAURWASN-UHFFFAOYSA-N -1 1 258.281 1.501 20 0 CDADMM CCCCN(CC(N)=O)C(=O)c1cc(Cl)ccc1[O-] ZINC000048091648 1166432022 /nfs/dbraw/zinc/43/20/22/1166432022.db2.gz LIPBXZWZIMQMNF-UHFFFAOYSA-N -1 1 284.743 1.773 20 0 CDADMM CCC(CC)(NC(=O)c1ccsc1)c1nn[n-]n1 ZINC000095284803 1166618473 /nfs/dbraw/zinc/61/84/73/1166618473.db2.gz WUJJTJXUYXDZHN-UHFFFAOYSA-N -1 1 265.342 1.707 20 0 CDADMM Cc1ccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1O ZINC000095342057 1166624869 /nfs/dbraw/zinc/62/48/69/1166624869.db2.gz ZHRQNTJZBGQBEN-SECBINFHSA-N -1 1 275.312 1.089 20 0 CDADMM COC[C@@H](NC(=O)c1[n-][nH]c2cc(=O)ccc1-2)C1CC1 ZINC001155273635 1167113374 /nfs/dbraw/zinc/11/33/74/1167113374.db2.gz RESCEWNPINZFJH-GFCCVEGCSA-N -1 1 275.308 1.423 20 0 CDADMM C[C@H](SCc1ccccc1)C(=O)N(C)c1nn[n-]n1 ZINC001646203206 1167693850 /nfs/dbraw/zinc/69/38/50/1167693850.db2.gz HLGWUWUFCYTAJJ-VIFPVBQESA-N -1 1 277.353 1.484 20 0 CDADMM COC(=O)c1cc(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)on1 ZINC001646280001 1167741834 /nfs/dbraw/zinc/74/18/34/1167741834.db2.gz HJWAWBXQHHUIMB-DTWKUNHWSA-N -1 1 282.296 1.146 20 0 CDADMM O=C(Nc1nncn1-c1ccccc1)c1ccc(O)cc1[O-] ZINC001566499289 1168311303 /nfs/dbraw/zinc/31/13/03/1168311303.db2.gz LTZJJAGGGSXPRJ-UHFFFAOYSA-N -1 1 296.286 1.931 20 0 CDADMM O=C([O-])[C@]12CCC[C@@H]1C[N@@H+](Cc1ccc(Cl)nn1)C2 ZINC001647410902 1168658867 /nfs/dbraw/zinc/65/88/67/1168658867.db2.gz ZMIQRWGCBNYPPO-RNCFNFMXSA-N -1 1 281.743 1.817 20 0 CDADMM CC[C@@H]1CCCC[C@H]1C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001649333043 1169208197 /nfs/dbraw/zinc/20/81/97/1169208197.db2.gz QJYMVPNXFYMOOL-GRYCIOLGSA-N -1 1 277.372 1.732 20 0 CDADMM O=C([O-])[C@H](C[C@H]1CCCO1)NCc1ncc(Cl)s1 ZINC001650014513 1169609290 /nfs/dbraw/zinc/60/92/90/1169609290.db2.gz MCYKWEPSVUQFPV-SFYZADRCSA-N -1 1 290.772 1.908 20 0 CDADMM CCc1nc(S(=O)(=O)Cc2csc(C)c2)n[n-]1 ZINC001650017647 1169614028 /nfs/dbraw/zinc/61/40/28/1169614028.db2.gz QPRJVXHBLPNZEB-UHFFFAOYSA-N -1 1 271.367 1.711 20 0 CDADMM Cc1ccnc(CSc2nc(N)cc(N)n2)c1C(=O)[O-] ZINC001574173075 1170904492 /nfs/dbraw/zinc/90/44/92/1170904492.db2.gz RHHUFJZFDJHMKO-UHFFFAOYSA-N -1 1 291.336 1.335 20 0 CDADMM Cc1ncc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001574192276 1170913099 /nfs/dbraw/zinc/91/30/99/1170913099.db2.gz PZMREPQQBKYVLJ-NXEZZACHSA-N -1 1 286.291 1.554 20 0 CDADMM O=C([O-])c1n[n-]c(C[NH2+]Cc2ccc(F)c(Cl)c2)n1 ZINC001574422415 1170976980 /nfs/dbraw/zinc/97/69/80/1170976980.db2.gz AZPLAKZPKASZNY-UHFFFAOYSA-N -1 1 284.678 1.585 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cc2cc(F)ccc2[nH]1 ZINC001651044600 1171281462 /nfs/dbraw/zinc/28/14/62/1171281462.db2.gz QIVJBXWPQKPRNP-UHFFFAOYSA-N -1 1 260.228 1.988 20 0 CDADMM C[C@@H](Cc1cccnc1)NC(=O)c1cncc([O-])c1 ZINC001653577167 1171550328 /nfs/dbraw/zinc/55/03/28/1171550328.db2.gz XFBKIHMLGZDSML-JTQLQIEISA-N -1 1 257.293 1.543 20 0 CDADMM CCCOc1ccc(Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001577692287 1171721480 /nfs/dbraw/zinc/72/14/80/1171721480.db2.gz OWXLFTMQHJJBTK-UHFFFAOYSA-N -1 1 297.322 1.611 20 0 CDADMM O=C(Cc1ccc(Cl)s1)[N-]OCc1cn[nH]n1 ZINC001577960354 1171782179 /nfs/dbraw/zinc/78/21/79/1171782179.db2.gz HYOLVBXXZCGHHN-UHFFFAOYSA-N -1 1 272.717 1.310 20 0 CDADMM C[C@H](OC(=O)c1csc(-c2nnn[n-]2)c1)C1CC1 ZINC001580443981 1172437588 /nfs/dbraw/zinc/43/75/88/1172437588.db2.gz SWHKCNLOSAMJIU-LURJTMIESA-N -1 1 264.310 1.884 20 0 CDADMM C[C@H](OC(=O)c1csc(-c2nn[n-]n2)c1)C1CC1 ZINC001580443981 1172437591 /nfs/dbraw/zinc/43/75/91/1172437591.db2.gz SWHKCNLOSAMJIU-LURJTMIESA-N -1 1 264.310 1.884 20 0 CDADMM Cc1ccc2c(c1)N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001581214904 1172594569 /nfs/dbraw/zinc/59/45/69/1172594569.db2.gz NAFMXIOOQZPECR-UHFFFAOYSA-N -1 1 279.307 1.659 20 0 CDADMM COC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001662792739 1172595423 /nfs/dbraw/zinc/59/54/23/1172595423.db2.gz FGVOYEHYWDJXDB-BQBZGAKWSA-N -1 1 268.235 1.284 20 0 CDADMM O=C(NCCc1ccoc1)c1ccc(-c2nnn[n-]2)s1 ZINC001582526909 1172680563 /nfs/dbraw/zinc/68/05/63/1172680563.db2.gz CYSMHLWUMRMRKV-UHFFFAOYSA-N -1 1 289.320 1.494 20 0 CDADMM O=C(NCCc1ccoc1)c1ccc(-c2nn[n-]n2)s1 ZINC001582526909 1172680566 /nfs/dbraw/zinc/68/05/66/1172680566.db2.gz CYSMHLWUMRMRKV-UHFFFAOYSA-N -1 1 289.320 1.494 20 0 CDADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC001582558511 1172681786 /nfs/dbraw/zinc/68/17/86/1172681786.db2.gz AUQFNFYRBMVDQF-UHFFFAOYSA-N -1 1 286.320 1.253 20 0 CDADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC001582558511 1172681793 /nfs/dbraw/zinc/68/17/93/1172681793.db2.gz AUQFNFYRBMVDQF-UHFFFAOYSA-N -1 1 286.320 1.253 20 0 CDADMM C1=CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001588387570 1173059513 /nfs/dbraw/zinc/05/95/13/1173059513.db2.gz DGRNSXIQSXRROO-SECBINFHSA-N -1 1 257.301 1.425 20 0 CDADMM C1=CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001588387570 1173059518 /nfs/dbraw/zinc/05/95/18/1173059518.db2.gz DGRNSXIQSXRROO-SECBINFHSA-N -1 1 257.301 1.425 20 0 CDADMM CC(=O)C1CCN(c2cc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001588786274 1173108313 /nfs/dbraw/zinc/10/83/13/1173108313.db2.gz MHDIDAVFCKUVCY-UHFFFAOYSA-N -1 1 286.339 1.376 20 0 CDADMM CC(=O)C1CCN(c2cc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001588786274 1173108315 /nfs/dbraw/zinc/10/83/15/1173108315.db2.gz MHDIDAVFCKUVCY-UHFFFAOYSA-N -1 1 286.339 1.376 20 0 CDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@@H]2F)n1 ZINC001589249144 1173132575 /nfs/dbraw/zinc/13/25/75/1173132575.db2.gz KVOBAKSOKPIWBV-SVRRBLITSA-N -1 1 293.306 1.115 20 0 CDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@@H]2F)n1 ZINC001589249144 1173132580 /nfs/dbraw/zinc/13/25/80/1173132580.db2.gz KVOBAKSOKPIWBV-SVRRBLITSA-N -1 1 293.306 1.115 20 0 CDADMM CC(C)CCNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589601708 1173160165 /nfs/dbraw/zinc/16/01/65/1173160165.db2.gz GBDQMETXCNXVTB-UHFFFAOYSA-N -1 1 260.301 1.038 20 0 CDADMM CC(C)CCNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589601708 1173160169 /nfs/dbraw/zinc/16/01/69/1173160169.db2.gz GBDQMETXCNXVTB-UHFFFAOYSA-N -1 1 260.301 1.038 20 0 CDADMM CC(C)CCSc1cnc(-c2nnn[n-]2)cn1 ZINC001589609776 1173162626 /nfs/dbraw/zinc/16/26/26/1173162626.db2.gz MLUBMTLDUKZXKH-UHFFFAOYSA-N -1 1 250.331 1.795 20 0 CDADMM CC(C)CCSc1cnc(-c2nn[n-]n2)cn1 ZINC001589609776 1173162630 /nfs/dbraw/zinc/16/26/30/1173162630.db2.gz MLUBMTLDUKZXKH-UHFFFAOYSA-N -1 1 250.331 1.795 20 0 CDADMM CC(C)c1c[nH]c(CNc2n[nH]cc2-c2nn[n-]n2)n1 ZINC001589764894 1173175497 /nfs/dbraw/zinc/17/54/97/1173175497.db2.gz CJBYPJIZJJRFSC-UHFFFAOYSA-N -1 1 273.304 1.048 20 0 CDADMM C[C@@H](C[C@@H]1CCOC1)OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589803027 1173183701 /nfs/dbraw/zinc/18/37/01/1173183701.db2.gz MXEJVXGZAVOMJQ-IUCAKERBSA-N -1 1 292.295 1.432 20 0 CDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)Oc1ccccc1 ZINC001589880087 1173191894 /nfs/dbraw/zinc/19/18/94/1173191894.db2.gz XWRMZXYHHZKXFQ-SNVBAGLBSA-N -1 1 297.322 1.536 20 0 CDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)Oc1ccccc1 ZINC001589880087 1173191898 /nfs/dbraw/zinc/19/18/98/1173191898.db2.gz XWRMZXYHHZKXFQ-SNVBAGLBSA-N -1 1 297.322 1.536 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C1(C)CC1 ZINC001589944519 1173207036 /nfs/dbraw/zinc/20/70/36/1173207036.db2.gz MAEFGZNEPDKSGR-ZETCQYMHSA-N -1 1 277.353 1.847 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C1(C)CC1 ZINC001589944519 1173207037 /nfs/dbraw/zinc/20/70/37/1173207037.db2.gz MAEFGZNEPDKSGR-ZETCQYMHSA-N -1 1 277.353 1.847 20 0 CDADMM C[C@@]1(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CCCCO1 ZINC001590071136 1173243616 /nfs/dbraw/zinc/24/36/16/1173243616.db2.gz STAYKRZTJOJIAD-ZDUSSCGKSA-N -1 1 288.311 1.159 20 0 CDADMM C[C@@]1(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CCCCO1 ZINC001590071136 1173243620 /nfs/dbraw/zinc/24/36/20/1173243620.db2.gz STAYKRZTJOJIAD-ZDUSSCGKSA-N -1 1 288.311 1.159 20 0 CDADMM CC1(C)C[C@H](CNc2cccnc2-c2nnn[n-]2)CCO1 ZINC001590079773 1173247930 /nfs/dbraw/zinc/24/79/30/1173247930.db2.gz IXRTULRCZIETCC-SNVBAGLBSA-N -1 1 288.355 1.879 20 0 CDADMM CC1(C)C[C@H](CNc2cccnc2-c2nn[n-]n2)CCO1 ZINC001590079773 1173247933 /nfs/dbraw/zinc/24/79/33/1173247933.db2.gz IXRTULRCZIETCC-SNVBAGLBSA-N -1 1 288.355 1.879 20 0 CDADMM CC1(C)C[C@@H]1CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590088317 1173251246 /nfs/dbraw/zinc/25/12/46/1173251246.db2.gz RQPLSRXDEOHJAO-MRVPVSSYSA-N -1 1 287.327 1.429 20 0 CDADMM CC1(C)C[C@@H]1CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590088317 1173251257 /nfs/dbraw/zinc/25/12/57/1173251257.db2.gz RQPLSRXDEOHJAO-MRVPVSSYSA-N -1 1 287.327 1.429 20 0 CDADMM CC1(C)CCC[C@@]1(O)CNc1cccc(-c2nnn[n-]2)n1 ZINC001590096647 1173257471 /nfs/dbraw/zinc/25/74/71/1173257471.db2.gz IOXFYWHLFVDUKR-CQSZACIVSA-N -1 1 288.355 1.615 20 0 CDADMM CC1(C)CCC[C@@]1(O)CNc1cccc(-c2nn[n-]n2)n1 ZINC001590096647 1173257474 /nfs/dbraw/zinc/25/74/74/1173257474.db2.gz IOXFYWHLFVDUKR-CQSZACIVSA-N -1 1 288.355 1.615 20 0 CDADMM CC1(F)CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001590141446 1173270445 /nfs/dbraw/zinc/27/04/45/1173270445.db2.gz IZBMBQRVOFQHGF-UHFFFAOYSA-N -1 1 262.292 1.590 20 0 CDADMM CC1(F)CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001590141446 1173270451 /nfs/dbraw/zinc/27/04/51/1173270451.db2.gz IZBMBQRVOFQHGF-UHFFFAOYSA-N -1 1 262.292 1.590 20 0 CDADMM CC1=NO[C@H](COC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC001590163363 1173279575 /nfs/dbraw/zinc/27/95/75/1173279575.db2.gz UFNZZDOPIMTFIV-ZETCQYMHSA-N -1 1 293.308 1.250 20 0 CDADMM C[C@@H]1CC(F)(F)CCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001590190720 1173284286 /nfs/dbraw/zinc/28/42/86/1173284286.db2.gz CETWILGDCKWNOC-MRVPVSSYSA-N -1 1 280.282 1.886 20 0 CDADMM C[C@H]1C[C@H]1c1noc(-c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001590219133 1173296923 /nfs/dbraw/zinc/29/69/23/1173296923.db2.gz KZUQMABNOXJCBY-POYBYMJQSA-N -1 1 269.268 1.435 20 0 CDADMM C[C@H]1C[C@H]1c1noc(-c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001590219133 1173296928 /nfs/dbraw/zinc/29/69/28/1173296928.db2.gz KZUQMABNOXJCBY-POYBYMJQSA-N -1 1 269.268 1.435 20 0 CDADMM C[C@@H]1CC[C@H](C)N(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590227503 1173304244 /nfs/dbraw/zinc/30/42/44/1173304244.db2.gz PFCOBIJKXDVUCM-ZJUUUORDSA-N -1 1 258.329 1.887 20 0 CDADMM C[C@@H]1CC[C@@H](CNC(=O)c2ccsc2-c2nnn[n-]2)O1 ZINC001590230681 1173308158 /nfs/dbraw/zinc/30/81/58/1173308158.db2.gz MZLNBSBMUUUPIX-SFYZADRCSA-N -1 1 293.352 1.226 20 0 CDADMM C[C@@H]1CC[C@@H](CNC(=O)c2ccsc2-c2nn[n-]n2)O1 ZINC001590230681 1173308166 /nfs/dbraw/zinc/30/81/66/1173308166.db2.gz MZLNBSBMUUUPIX-SFYZADRCSA-N -1 1 293.352 1.226 20 0 CDADMM C[C@H]1CCC[C@@H](CNc2ncncc2-c2nn[n-]n2)C1 ZINC001590240540 1173314135 /nfs/dbraw/zinc/31/41/35/1173314135.db2.gz FAXOYNLITFNFJC-VHSXEESVSA-N -1 1 273.344 1.895 20 0 CDADMM C[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590249034 1173315862 /nfs/dbraw/zinc/31/58/62/1173315862.db2.gz AKEIUFWLDBAZPM-RKDXNWHRSA-N -1 1 259.317 1.069 20 0 CDADMM C[C@@H]1[C@@H](C)CCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590263755 1173328424 /nfs/dbraw/zinc/32/84/24/1173328424.db2.gz LGGRSPDAYQQVQO-VHSXEESVSA-N -1 1 286.339 1.061 20 0 CDADMM C[C@@H]1[C@@H](C)CCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590263755 1173328433 /nfs/dbraw/zinc/32/84/33/1173328433.db2.gz LGGRSPDAYQQVQO-VHSXEESVSA-N -1 1 286.339 1.061 20 0 CDADMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)[C@H]1C ZINC001590276096 1173337529 /nfs/dbraw/zinc/33/75/29/1173337529.db2.gz JDLSDAKTEVKGFY-BDAKNGLRSA-N -1 1 285.355 1.769 20 0 CDADMM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)[C@H]1C ZINC001590276096 1173337536 /nfs/dbraw/zinc/33/75/36/1173337536.db2.gz JDLSDAKTEVKGFY-BDAKNGLRSA-N -1 1 285.355 1.769 20 0 CDADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)Cc2ccccc21 ZINC001590313057 1173347756 /nfs/dbraw/zinc/34/77/56/1173347756.db2.gz BHNIVCLJNQNTGH-SNVBAGLBSA-N -1 1 293.334 1.780 20 0 CDADMM C[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)CCC1=O ZINC001590316048 1173353024 /nfs/dbraw/zinc/35/30/24/1173353024.db2.gz JAHAWSZQULFHBK-RXMQYKEDSA-N -1 1 298.759 1.392 20 0 CDADMM C[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)CCC1=O ZINC001590316048 1173353033 /nfs/dbraw/zinc/35/30/33/1173353033.db2.gz JAHAWSZQULFHBK-RXMQYKEDSA-N -1 1 298.759 1.392 20 0 CDADMM C[C@H]1c2ccccc2CCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001590337493 1173363362 /nfs/dbraw/zinc/36/33/62/1173363362.db2.gz JQASRWZXHMYQCT-JTQLQIEISA-N -1 1 293.334 1.780 20 0 CDADMM C[C@H]1c2ccccc2CCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001590337493 1173363369 /nfs/dbraw/zinc/36/33/69/1173363369.db2.gz JQASRWZXHMYQCT-JTQLQIEISA-N -1 1 293.334 1.780 20 0 CDADMM C[C@@H]1c2ccccc2CCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001590337494 1173365052 /nfs/dbraw/zinc/36/50/52/1173365052.db2.gz JQASRWZXHMYQCT-SNVBAGLBSA-N -1 1 293.334 1.780 20 0 CDADMM C[C@@H]1c2ccccc2CCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001590337494 1173365060 /nfs/dbraw/zinc/36/50/60/1173365060.db2.gz JQASRWZXHMYQCT-SNVBAGLBSA-N -1 1 293.334 1.780 20 0 CDADMM CC[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC001590475101 1173428021 /nfs/dbraw/zinc/42/80/21/1173428021.db2.gz RBFJUUIREIEQBQ-NXEZZACHSA-N -1 1 289.343 1.274 20 0 CDADMM CC[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC001590475101 1173428024 /nfs/dbraw/zinc/42/80/24/1173428024.db2.gz RBFJUUIREIEQBQ-NXEZZACHSA-N -1 1 289.343 1.274 20 0 CDADMM CCC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001590497046 1173433555 /nfs/dbraw/zinc/43/35/55/1173433555.db2.gz ZJRXJJFXEBOMFJ-UHFFFAOYSA-N -1 1 273.344 1.461 20 0 CDADMM CC[C@@H]1CN(c2ccnc(-c3nnn[n-]3)c2)C[C@H](CC)O1 ZINC001590520271 1173448784 /nfs/dbraw/zinc/44/87/84/1173448784.db2.gz GONSYRGWDXJCLE-TXEJJXNPSA-N -1 1 288.355 1.656 20 0 CDADMM CC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)c2)C[C@H](CC)O1 ZINC001590520271 1173448788 /nfs/dbraw/zinc/44/87/88/1173448788.db2.gz GONSYRGWDXJCLE-TXEJJXNPSA-N -1 1 288.355 1.656 20 0 CDADMM CCOc1ccc(CNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001590835810 1173526279 /nfs/dbraw/zinc/52/62/79/1173526279.db2.gz GZKKAWYTVYFYEL-UHFFFAOYSA-N -1 1 297.322 1.668 20 0 CDADMM CCOc1ccc(CNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001590835810 1173526282 /nfs/dbraw/zinc/52/62/82/1173526282.db2.gz GZKKAWYTVYFYEL-UHFFFAOYSA-N -1 1 297.322 1.668 20 0 CDADMM CCc1cccc(Cn2ccc(-c3nn[n-]n3)cc2=O)c1 ZINC001590895111 1173535353 /nfs/dbraw/zinc/53/53/53/1173535353.db2.gz ZHHDNIURDPZBJB-UHFFFAOYSA-N -1 1 281.319 1.639 20 0 CDADMM CCc1cccnc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590899601 1173535578 /nfs/dbraw/zinc/53/55/78/1173535578.db2.gz UBYOULKQMYNBDC-UHFFFAOYSA-N -1 1 284.279 1.669 20 0 CDADMM CCc1cccnc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590899601 1173535580 /nfs/dbraw/zinc/53/55/80/1173535580.db2.gz UBYOULKQMYNBDC-UHFFFAOYSA-N -1 1 284.279 1.669 20 0 CDADMM CN(Cc1cccnc1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591149442 1173581122 /nfs/dbraw/zinc/58/11/22/1173581122.db2.gz GJVHMTNBORAMLK-UHFFFAOYSA-N -1 1 284.279 1.127 20 0 CDADMM CN(Cc1cccnc1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591149442 1173581128 /nfs/dbraw/zinc/58/11/28/1173581128.db2.gz GJVHMTNBORAMLK-UHFFFAOYSA-N -1 1 284.279 1.127 20 0 CDADMM CN(c1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001591154616 1173584273 /nfs/dbraw/zinc/58/42/73/1173584273.db2.gz BLJVRGOGYAYJDL-UHFFFAOYSA-N -1 1 284.245 1.879 20 0 CDADMM CN(c1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001591154616 1173584279 /nfs/dbraw/zinc/58/42/79/1173584279.db2.gz BLJVRGOGYAYJDL-UHFFFAOYSA-N -1 1 284.245 1.879 20 0 CDADMM COC(=O)[C@H](C)CSCc1ccc(-c2nnn[n-]2)o1 ZINC001591230255 1173595493 /nfs/dbraw/zinc/59/54/93/1173595493.db2.gz XHIPHUWAUIOLDD-SSDOTTSWSA-N -1 1 282.325 1.502 20 0 CDADMM COC(=O)[C@H](C)CSCc1ccc(-c2nn[n-]n2)o1 ZINC001591230255 1173595502 /nfs/dbraw/zinc/59/55/02/1173595502.db2.gz XHIPHUWAUIOLDD-SSDOTTSWSA-N -1 1 282.325 1.502 20 0 CDADMM COCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001591391113 1173642023 /nfs/dbraw/zinc/64/20/23/1173642023.db2.gz XQBKEDNKYUJPTK-UHFFFAOYSA-N -1 1 275.316 1.028 20 0 CDADMM COCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001591391113 1173642024 /nfs/dbraw/zinc/64/20/24/1173642024.db2.gz XQBKEDNKYUJPTK-UHFFFAOYSA-N -1 1 275.316 1.028 20 0 CDADMM COc1cc(CNc2cncc(-c3nnn[n-]3)n2)ccc1C ZINC001591537784 1173666497 /nfs/dbraw/zinc/66/64/97/1173666497.db2.gz XZLCQPTYPNUIAW-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1cc(CNc2cncc(-c3nn[n-]n3)n2)ccc1C ZINC001591537784 1173666504 /nfs/dbraw/zinc/66/65/04/1173666504.db2.gz XZLCQPTYPNUIAW-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2Cc3ccccc32)n1 ZINC001591897060 1173743761 /nfs/dbraw/zinc/74/37/61/1173743761.db2.gz XBQWJMNNPCNCOE-LLVKDONJSA-N -1 1 293.334 1.717 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2Cc3ccccc32)n1 ZINC001591897060 1173743765 /nfs/dbraw/zinc/74/37/65/1173743765.db2.gz XBQWJMNNPCNCOE-LLVKDONJSA-N -1 1 293.334 1.717 20 0 CDADMM Cc1cc(N2CC[C@@H](C)[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001591999361 1173769463 /nfs/dbraw/zinc/76/94/63/1173769463.db2.gz GEONLRYQAKJSJR-SCZZXKLOSA-N -1 1 258.329 1.805 20 0 CDADMM Cc1cc(N2CC[C@@H](C)[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001591999361 1173769467 /nfs/dbraw/zinc/76/94/67/1173769467.db2.gz GEONLRYQAKJSJR-SCZZXKLOSA-N -1 1 258.329 1.805 20 0 CDADMM Cc1cc(N[C@@H](C)[C@@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001592032733 1173777321 /nfs/dbraw/zinc/77/73/21/1173777321.db2.gz DGGQHPLUJWQVRL-WDEREUQCSA-N -1 1 288.355 1.219 20 0 CDADMM Cc1cc(N[C@@H](C)[C@@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001592032733 1173777326 /nfs/dbraw/zinc/77/73/26/1173777326.db2.gz DGGQHPLUJWQVRL-WDEREUQCSA-N -1 1 288.355 1.219 20 0 CDADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)sn1 ZINC001592029947 1173777420 /nfs/dbraw/zinc/77/74/20/1173777420.db2.gz RYYUMGYEMSTBHN-UHFFFAOYSA-N -1 1 276.281 1.477 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCC1(CCO)CC1 ZINC001592114063 1173804983 /nfs/dbraw/zinc/80/49/83/1173804983.db2.gz NBHNUZGXDJMUFE-UHFFFAOYSA-N -1 1 274.328 1.145 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCCC[C@@H]1CCOC1 ZINC001592115097 1173805483 /nfs/dbraw/zinc/80/54/83/1173805483.db2.gz YECWLAYIMTZDNQ-LLVKDONJSA-N -1 1 288.355 1.799 20 0 CDADMM Cc1ccc(N2C[C@H](C)[C@@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001592176297 1173822581 /nfs/dbraw/zinc/82/25/81/1173822581.db2.gz ZGMOZUPRMLUKAQ-IUCAKERBSA-N -1 1 258.329 1.662 20 0 CDADMM Cc1ccc(N2C[C@H](C)[C@@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001592176297 1173822588 /nfs/dbraw/zinc/82/25/88/1173822588.db2.gz ZGMOZUPRMLUKAQ-IUCAKERBSA-N -1 1 258.329 1.662 20 0 CDADMM Cc1ccc(N2CCO[C@@H](C)[C@H]2C)nc1-c1nnn[n-]1 ZINC001592175574 1173823492 /nfs/dbraw/zinc/82/34/92/1173823492.db2.gz JRKIIXXPQMJPJS-ZJUUUORDSA-N -1 1 274.328 1.184 20 0 CDADMM Cc1ccc(N2CCO[C@@H](C)[C@H]2C)nc1-c1nn[n-]n1 ZINC001592175574 1173823496 /nfs/dbraw/zinc/82/34/96/1173823496.db2.gz JRKIIXXPQMJPJS-ZJUUUORDSA-N -1 1 274.328 1.184 20 0 CDADMM Cc1ccc(Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001592185877 1173831110 /nfs/dbraw/zinc/83/11/10/1173831110.db2.gz FISGKJMXHHKWLM-UHFFFAOYSA-N -1 1 253.269 1.131 20 0 CDADMM Cc1ccnc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001592271560 1173839471 /nfs/dbraw/zinc/83/94/71/1173839471.db2.gz GIMYRAQUADCHRA-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1ccnc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001592271560 1173839475 /nfs/dbraw/zinc/83/94/75/1173839475.db2.gz GIMYRAQUADCHRA-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(Cc2noc3c2CCCC3)c1C ZINC001592341461 1173861640 /nfs/dbraw/zinc/86/16/40/1173861640.db2.gz ZTDCGKPRPSFYTN-UHFFFAOYSA-N -1 1 299.338 1.595 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2noc3c2CCCC3)c1C ZINC001592341461 1173861644 /nfs/dbraw/zinc/86/16/44/1173861644.db2.gz ZTDCGKPRPSFYTN-UHFFFAOYSA-N -1 1 299.338 1.595 20 0 CDADMM Cc1nc(NCC23CCC(CC2)C3)cc(-c2nnn[n-]2)n1 ZINC001592387227 1173875323 /nfs/dbraw/zinc/87/53/23/1173875323.db2.gz DGZLAEJXZPFXRE-UHFFFAOYSA-N -1 1 285.355 1.957 20 0 CDADMM Cc1nc(NCC23CCC(CC2)C3)cc(-c2nn[n-]n2)n1 ZINC001592387227 1173875330 /nfs/dbraw/zinc/87/53/30/1173875330.db2.gz DGZLAEJXZPFXRE-UHFFFAOYSA-N -1 1 285.355 1.957 20 0 CDADMM Cc1nocc1CSc1cccnc1-c1nnn[n-]1 ZINC001592466478 1173897243 /nfs/dbraw/zinc/89/72/43/1173897243.db2.gz YKCGBCHLTILVOD-UHFFFAOYSA-N -1 1 274.309 1.850 20 0 CDADMM Cc1nocc1CSc1cccnc1-c1nn[n-]n1 ZINC001592466478 1173897247 /nfs/dbraw/zinc/89/72/47/1173897247.db2.gz YKCGBCHLTILVOD-UHFFFAOYSA-N -1 1 274.309 1.850 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc(-c2ncc[nH]2)no1 ZINC001592495351 1173906006 /nfs/dbraw/zinc/90/60/06/1173906006.db2.gz KVHULJGGTXACKN-UHFFFAOYSA-N -1 1 284.239 1.208 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc(-c2ncc[nH]2)no1 ZINC001592495351 1173906010 /nfs/dbraw/zinc/90/60/10/1173906010.db2.gz KVHULJGGTXACKN-UHFFFAOYSA-N -1 1 284.239 1.208 20 0 CDADMM Fc1cccc(CCCNc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001592655371 1173956155 /nfs/dbraw/zinc/95/61/55/1173956155.db2.gz UHAICUQEDWOSQY-UHFFFAOYSA-N -1 1 299.313 1.841 20 0 CDADMM Fc1cccc(CCCNc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001592655371 1173956160 /nfs/dbraw/zinc/95/61/60/1173956160.db2.gz UHAICUQEDWOSQY-UHFFFAOYSA-N -1 1 299.313 1.841 20 0 CDADMM Fc1cnc(NCc2ccc(-c3nn[n-]n3)s2)cn1 ZINC001592660875 1173958653 /nfs/dbraw/zinc/95/86/53/1173958653.db2.gz IMJJUYOWFXTZIQ-UHFFFAOYSA-N -1 1 277.288 1.469 20 0 CDADMM O=C(CC1CC1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001592817218 1173995629 /nfs/dbraw/zinc/99/56/29/1173995629.db2.gz XIQMAJWTHISILT-UHFFFAOYSA-N -1 1 259.269 1.311 20 0 CDADMM O=C(N[C@@]12C[C@@H]1CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001592963268 1174006753 /nfs/dbraw/zinc/00/67/53/1174006753.db2.gz YLUKNSHSXWDHQF-HZMBPMFUSA-N -1 1 284.323 1.324 20 0 CDADMM O=C(N[C@@]12C[C@@H]1CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001592963268 1174006759 /nfs/dbraw/zinc/00/67/59/1174006759.db2.gz YLUKNSHSXWDHQF-HZMBPMFUSA-N -1 1 284.323 1.324 20 0 CDADMM O=C(NCC1(CC2CC2)CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593015992 1174012114 /nfs/dbraw/zinc/01/21/14/1174012114.db2.gz JPZUPPVSAHERBY-UHFFFAOYSA-N -1 1 298.350 1.572 20 0 CDADMM O=C(NCC1(CC2CC2)CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593015992 1174012121 /nfs/dbraw/zinc/01/21/21/1174012121.db2.gz JPZUPPVSAHERBY-UHFFFAOYSA-N -1 1 298.350 1.572 20 0 CDADMM O=C(N[C@H]1CCCOCC1)c1ccsc1-c1nnn[n-]1 ZINC001592983830 1174014031 /nfs/dbraw/zinc/01/40/31/1174014031.db2.gz YUHYQSLXHLSKEW-QMMMGPOBSA-N -1 1 293.352 1.227 20 0 CDADMM O=C(N[C@H]1CCCOCC1)c1ccsc1-c1nn[n-]n1 ZINC001592983830 1174014035 /nfs/dbraw/zinc/01/40/35/1174014035.db2.gz YUHYQSLXHLSKEW-QMMMGPOBSA-N -1 1 293.352 1.227 20 0 CDADMM O=C(NCCC1(F)CCC1)c1ccsc1-c1nnn[n-]1 ZINC001593059063 1174018915 /nfs/dbraw/zinc/01/89/15/1174018915.db2.gz JFPMZWHVMGSGEW-UHFFFAOYSA-N -1 1 295.343 1.940 20 0 CDADMM O=C(NCCC1(F)CCC1)c1ccsc1-c1nn[n-]n1 ZINC001593059063 1174018923 /nfs/dbraw/zinc/01/89/23/1174018923.db2.gz JFPMZWHVMGSGEW-UHFFFAOYSA-N -1 1 295.343 1.940 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)C1CC(F)(F)C1 ZINC001593132945 1174025177 /nfs/dbraw/zinc/02/51/77/1174025177.db2.gz FENHQCOGNGIDDX-UHFFFAOYSA-N -1 1 299.306 1.590 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1sccc1F ZINC001593199255 1174031249 /nfs/dbraw/zinc/03/12/49/1174031249.db2.gz GEKFKJVEJXPIAS-UHFFFAOYSA-N -1 1 279.260 1.043 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1sccc1F ZINC001593199255 1174031255 /nfs/dbraw/zinc/03/12/55/1174031255.db2.gz GEKFKJVEJXPIAS-UHFFFAOYSA-N -1 1 279.260 1.043 20 0 CDADMM O=C(Nc1ccc(F)nc1)c1ccsc1-c1nnn[n-]1 ZINC001593234528 1174036333 /nfs/dbraw/zinc/03/63/33/1174036333.db2.gz HFUBWYSJWIPSPO-UHFFFAOYSA-N -1 1 290.283 1.715 20 0 CDADMM O=C(Nc1ccc(F)nc1)c1ccsc1-c1nn[n-]n1 ZINC001593234528 1174036337 /nfs/dbraw/zinc/03/63/37/1174036337.db2.gz HFUBWYSJWIPSPO-UHFFFAOYSA-N -1 1 290.283 1.715 20 0 CDADMM O=C(OCC[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)o1 ZINC001593288115 1174055609 /nfs/dbraw/zinc/05/56/09/1174055609.db2.gz UROFACRVHLUBJP-SECBINFHSA-N -1 1 292.295 1.576 20 0 CDADMM O=C(Oc1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC001593309633 1174062556 /nfs/dbraw/zinc/06/25/56/1174062556.db2.gz SCJDJMCXZYVSBD-UHFFFAOYSA-N -1 1 267.248 1.481 20 0 CDADMM O=C(Oc1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC001593309633 1174062564 /nfs/dbraw/zinc/06/25/64/1174062564.db2.gz SCJDJMCXZYVSBD-UHFFFAOYSA-N -1 1 267.248 1.481 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1Cc2ccccc2C1 ZINC001593339779 1174068084 /nfs/dbraw/zinc/06/80/84/1174068084.db2.gz XRLOKLWUSVRWIC-UHFFFAOYSA-N -1 1 281.275 1.616 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1Cc2ccccc2C1 ZINC001593339779 1174068088 /nfs/dbraw/zinc/06/80/88/1174068088.db2.gz XRLOKLWUSVRWIC-UHFFFAOYSA-N -1 1 281.275 1.616 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@@H]1C1CC1 ZINC001593348579 1174068702 /nfs/dbraw/zinc/06/87/02/1174068702.db2.gz FYCBJUDDFFSXSA-GFCCVEGCSA-N -1 1 284.323 1.276 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@@H]1C1CC1 ZINC001593348579 1174068710 /nfs/dbraw/zinc/06/87/10/1174068710.db2.gz FYCBJUDDFFSXSA-GFCCVEGCSA-N -1 1 284.323 1.276 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC001593368355 1174070222 /nfs/dbraw/zinc/07/02/22/1174070222.db2.gz ZIAASDWCRKVDKL-DGCLKSJQSA-N -1 1 299.334 1.720 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC001593368355 1174070230 /nfs/dbraw/zinc/07/02/30/1174070230.db2.gz ZIAASDWCRKVDKL-DGCLKSJQSA-N -1 1 299.334 1.720 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CC2(C1)CCCC2 ZINC001593359050 1174070533 /nfs/dbraw/zinc/07/05/33/1174070533.db2.gz UYIUAIITBTWOPW-UHFFFAOYSA-N -1 1 284.323 1.278 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CC2(C1)CCCC2 ZINC001593359050 1174070535 /nfs/dbraw/zinc/07/05/35/1174070535.db2.gz UYIUAIITBTWOPW-UHFFFAOYSA-N -1 1 284.323 1.278 20 0 CDADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1C/C=C/Cl ZINC001593494386 1174088476 /nfs/dbraw/zinc/08/84/76/1174088476.db2.gz LQLYLHUSZSVRMB-ZZXKWVIFSA-N -1 1 287.710 1.934 20 0 CDADMM c1cc(-c2ccc(CNc3n[nH]cc3-c3nnn[n-]3)o2)n[nH]1 ZINC001593544929 1174114301 /nfs/dbraw/zinc/11/43/01/1174114301.db2.gz RLTUGZIGJPPLPE-UHFFFAOYSA-N -1 1 297.282 1.185 20 0 CDADMM c1cc(-c2ccc(CNc3n[nH]cc3-c3nn[n-]n3)o2)n[nH]1 ZINC001593544929 1174114307 /nfs/dbraw/zinc/11/43/07/1174114307.db2.gz RLTUGZIGJPPLPE-UHFFFAOYSA-N -1 1 297.282 1.185 20 0 CDADMM c1cc2c(o1)CCC[N@@H+](Cc1cc(-c3nn[nH]n3)ccn1)C2 ZINC001593548417 1174119920 /nfs/dbraw/zinc/11/99/20/1174119920.db2.gz WYJKVQGWFNYLAJ-UHFFFAOYSA-N -1 1 296.334 1.803 20 0 CDADMM c1cc([C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)c3)C2)n[nH]1 ZINC001593551291 1174124155 /nfs/dbraw/zinc/12/41/55/1174124155.db2.gz GGDMMKZAFPBMMF-SNVBAGLBSA-N -1 1 296.338 1.369 20 0 CDADMM c1cc(NC[C@]23C[C@H]2COC32CCC2)cc(-c2nnn[n-]2)n1 ZINC001593561585 1174138124 /nfs/dbraw/zinc/13/81/24/1174138124.db2.gz ZZJNSEHXJVSHIT-IINYFYTJSA-N -1 1 298.350 1.055 20 0 CDADMM c1cc(NC[C@]23C[C@H]2COC32CCC2)cc(-c2nn[n-]n2)n1 ZINC001593561585 1174138127 /nfs/dbraw/zinc/13/81/27/1174138127.db2.gz ZZJNSEHXJVSHIT-IINYFYTJSA-N -1 1 298.350 1.055 20 0 CDADMM c1cnc2cc(Oc3ccncc3-c3nn[n-]n3)ccc2n1 ZINC001593563329 1174139056 /nfs/dbraw/zinc/13/90/56/1174139056.db2.gz WMRLLTXZYWUIEI-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1[nH]nc(NC[C@@H]2CCOc3ccccc32)c1-c1nnn[n-]1 ZINC001593579228 1174146233 /nfs/dbraw/zinc/14/62/33/1174146233.db2.gz CZQLKISBQZSHBZ-VIFPVBQESA-N -1 1 297.322 1.568 20 0 CDADMM c1[nH]nc(NC[C@@H]2CCOc3ccccc32)c1-c1nn[n-]n1 ZINC001593579228 1174146243 /nfs/dbraw/zinc/14/62/43/1174146243.db2.gz CZQLKISBQZSHBZ-VIFPVBQESA-N -1 1 297.322 1.568 20 0 CDADMM c1c(-c2nn[n-]n2)nnn1CCc1ccc2ccccc2c1 ZINC001593582146 1174146834 /nfs/dbraw/zinc/14/68/34/1174146834.db2.gz DFCOMADWZPJDBE-UHFFFAOYSA-N -1 1 291.318 1.854 20 0 CDADMM c1c2ccccc2oc1Cn1cc(-c2nn[n-]n2)nn1 ZINC001593581138 1174147389 /nfs/dbraw/zinc/14/73/89/1174147389.db2.gz AVYVELDZYVCXCD-UHFFFAOYSA-N -1 1 267.252 1.253 20 0 CDADMM c1cn(C[C@H]2CC3(CO2)CCCCC3)c(-c2nnn[n-]2)n1 ZINC001593582491 1174147955 /nfs/dbraw/zinc/14/79/55/1174147955.db2.gz QWUHCXNDIKWSPU-LLVKDONJSA-N -1 1 288.355 1.803 20 0 CDADMM c1cn(C[C@H]2CC3(CO2)CCCCC3)c(-c2nn[n-]n2)n1 ZINC001593582491 1174147959 /nfs/dbraw/zinc/14/79/59/1174147959.db2.gz QWUHCXNDIKWSPU-LLVKDONJSA-N -1 1 288.355 1.803 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001593590298 1174157187 /nfs/dbraw/zinc/15/71/87/1174157187.db2.gz NNVNUIHMERGAPN-KXUCPTDWSA-N -1 1 271.328 1.505 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001593590298 1174157193 /nfs/dbraw/zinc/15/71/93/1174157193.db2.gz NNVNUIHMERGAPN-KXUCPTDWSA-N -1 1 271.328 1.505 20 0 CDADMM c1nc(-c2nn[n-]n2)ncc1OCC[C@@H]1C[C@H]1C1CC1 ZINC001593590040 1174158291 /nfs/dbraw/zinc/15/82/91/1174158291.db2.gz DATIWUHYBFYJDI-KOLCDFICSA-N -1 1 272.312 1.472 20 0 CDADMM c1sc(CS[C@H]2CCCOC2)nc1-c1nnn[n-]1 ZINC001593595557 1174164603 /nfs/dbraw/zinc/16/46/03/1174164603.db2.gz VMTAGUPSZTUBGL-ZETCQYMHSA-N -1 1 283.382 1.735 20 0 CDADMM c1sc(CS[C@H]2CCCOC2)nc1-c1nn[n-]n1 ZINC001593595557 1174164606 /nfs/dbraw/zinc/16/46/06/1174164606.db2.gz VMTAGUPSZTUBGL-ZETCQYMHSA-N -1 1 283.382 1.735 20 0 CDADMM Cc1cc(C2CCN(c3ccnc(C(=O)[O-])n3)CC2)[nH]n1 ZINC001600184579 1174390583 /nfs/dbraw/zinc/39/05/83/1174390583.db2.gz OUYSKYBHXOLJAB-UHFFFAOYSA-N -1 1 287.323 1.590 20 0 CDADMM Cc1ccc(CN2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)nc1 ZINC001600413510 1174468241 /nfs/dbraw/zinc/46/82/41/1174468241.db2.gz YZBPBCURGVYYBL-GFCCVEGCSA-N -1 1 287.323 1.127 20 0 CDADMM NC(=O)c1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000095145752 1174499822 /nfs/dbraw/zinc/49/98/22/1174499822.db2.gz BHMQJXCVSINDMF-UHFFFAOYSA-N -1 1 282.263 1.153 20 0 CDADMM NC(=O)c1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000095145752 1174499826 /nfs/dbraw/zinc/49/98/26/1174499826.db2.gz BHMQJXCVSINDMF-UHFFFAOYSA-N -1 1 282.263 1.153 20 0 CDADMM Clc1ccccc1Cn1cnc(-c2nn[n-]n2)n1 ZINC000095237639 1174517975 /nfs/dbraw/zinc/51/79/75/1174517975.db2.gz FYBHYYPIJKJVTO-UHFFFAOYSA-N -1 1 261.676 1.160 20 0 CDADMM Cc1nnc(SCC(=O)Nc2ccc(C(=O)[O-])s2)[nH]1 ZINC001600675372 1174559653 /nfs/dbraw/zinc/55/96/53/1174559653.db2.gz WNQDBARVMJJQMI-UHFFFAOYSA-N -1 1 298.349 1.604 20 0 CDADMM Cc1n[nH]c(SCC(=O)Nc2ccc(C(=O)[O-])s2)n1 ZINC001600675372 1174559657 /nfs/dbraw/zinc/55/96/57/1174559657.db2.gz WNQDBARVMJJQMI-UHFFFAOYSA-N -1 1 298.349 1.604 20 0 CDADMM Cc1nc([C@H]2CCN(Cc3cccc(C(=O)[O-])n3)C2)no1 ZINC001600697253 1174568690 /nfs/dbraw/zinc/56/86/90/1174568690.db2.gz WIUQHCYPLLJHPH-JTQLQIEISA-N -1 1 288.307 1.461 20 0 CDADMM Cc1[nH+]c(N2CC[C@H](C(=O)[O-])[C@@H](C)C2)ccc1C(=O)[O-] ZINC001600708199 1174574234 /nfs/dbraw/zinc/57/42/34/1174574234.db2.gz IVEFONBOUCLXEH-WPRPVWTQSA-N -1 1 278.308 1.635 20 0 CDADMM Cc1[nH+]c(N2C[C@H](C(=O)[O-])CC[C@H]2C)ccc1C(=O)[O-] ZINC001600709403 1174574249 /nfs/dbraw/zinc/57/42/49/1174574249.db2.gz LVMFKEGQJAFNLL-PSASIEDQSA-N -1 1 278.308 1.778 20 0 CDADMM O=C(CN1C[C@H]2CCCC[C@H]21)NC1(C(=O)[O-])CCCCC1 ZINC001601317969 1174832632 /nfs/dbraw/zinc/83/26/32/1174832632.db2.gz VKSIOGVAPJJRHG-CHWSQXEVSA-N -1 1 294.395 1.765 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2ccc3cncn3c2)ccn1 ZINC001601613813 1174912337 /nfs/dbraw/zinc/91/23/37/1174912337.db2.gz IEZMDUCWPMXONZ-UHFFFAOYSA-N -1 1 282.259 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361840679 /nfs/dbraw/zinc/84/06/79/361840679.db2.gz PQHXTCQJRAXHDV-LBPRGKRZSA-N -1 1 295.387 1.330 20 0 CDADMM O=C(Nc1ccncc1[O-])c1ccnn1C1CCCC1 ZINC000329703720 361877832 /nfs/dbraw/zinc/87/78/32/361877832.db2.gz IZMFXCZURAHKBC-UHFFFAOYSA-N -1 1 272.308 1.773 20 0 CDADMM O=S(=O)([N-]c1ccn(-c2ccccc2)n1)N1CCCC1 ZINC000078235817 342203851 /nfs/dbraw/zinc/20/38/51/342203851.db2.gz MHRXOHLTWNAATJ-UHFFFAOYSA-N -1 1 292.364 1.625 20 0 CDADMM C[C@@H]1CN(C(=O)c2csc(=NC3CC3)[nH]2)C[C@]1(C)CO ZINC000620462367 342213586 /nfs/dbraw/zinc/21/35/86/342213586.db2.gz INLISPDCTWRANA-YMTOWFKASA-N -1 1 295.408 1.230 20 0 CDADMM C[C@@H]1CN(C(=O)c2csc(=NC3CC3)[n-]2)C[C@]1(C)CO ZINC000620462367 342213587 /nfs/dbraw/zinc/21/35/87/342213587.db2.gz INLISPDCTWRANA-YMTOWFKASA-N -1 1 295.408 1.230 20 0 CDADMM C[C@@H]1CN(C(=O)c2cccc3nn[nH]c32)C[C@@]1(C)CO ZINC000620462133 342213729 /nfs/dbraw/zinc/21/37/29/342213729.db2.gz FUWCLKJDIMXMDG-OTYXRUKQSA-N -1 1 274.324 1.048 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H](C)c2cnn(C)c2)n1 ZINC000593901828 342853645 /nfs/dbraw/zinc/85/36/45/342853645.db2.gz SNJVXTJCLCJCAT-MRVPVSSYSA-N -1 1 291.311 1.062 20 0 CDADMM O=C(NCc1nn[n-]n1)c1ccc(-c2ccccc2)[nH]1 ZINC000600506423 342228871 /nfs/dbraw/zinc/22/88/71/342228871.db2.gz WZJFZAGFWVABNR-UHFFFAOYSA-N -1 1 268.280 1.125 20 0 CDADMM O=S(=O)([N-]C1(CO)CC1)c1c(Cl)cccc1Cl ZINC000164237993 539124098 /nfs/dbraw/zinc/12/40/98/539124098.db2.gz IZDRKZDOXHYQBR-UHFFFAOYSA-N -1 1 296.175 1.797 20 0 CDADMM CCc1cc(=O)n2[n-]c(NC(=O)C(C)(C)CC)nc2n1 ZINC000622995039 342274942 /nfs/dbraw/zinc/27/49/42/342274942.db2.gz MJOVLVYDLMSCRL-UHFFFAOYSA-N -1 1 277.328 1.355 20 0 CDADMM O=C(NCC1(c2ccccn2)CC1)c1ncccc1[O-] ZINC000188049364 539149834 /nfs/dbraw/zinc/14/98/34/539149834.db2.gz XAGAKUKXMZGPEY-UHFFFAOYSA-N -1 1 269.304 1.644 20 0 CDADMM C[C@@H](O)CN(C)C(=O)c1ncc2ccccc2c1[O-] ZINC000611854547 346895673 /nfs/dbraw/zinc/89/56/73/346895673.db2.gz VYKYLHXQJFSFFH-SECBINFHSA-N -1 1 260.293 1.393 20 0 CDADMM CS[C@@H](CO)[C@H](C)NC(=O)c1cc(F)ccc1[O-] ZINC000126113573 187217589 /nfs/dbraw/zinc/21/75/89/187217589.db2.gz FRMZEYZDWNJCCO-CPCISQLKSA-N -1 1 273.329 1.374 20 0 CDADMM CCCC[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1 ZINC000595301448 343028471 /nfs/dbraw/zinc/02/84/71/343028471.db2.gz DMYCBEKCJVVCTA-UHFFFAOYSA-N -1 1 275.326 1.453 20 0 CDADMM COC(=O)c1oc(S(=O)(=O)[N-]CCCF)cc1C ZINC000595324193 343035676 /nfs/dbraw/zinc/03/56/76/343035676.db2.gz ROGGELFPNAEJSQ-UHFFFAOYSA-N -1 1 279.289 1.013 20 0 CDADMM CSCCCCC(=O)NC(C)(C)c1nn[n-]n1 ZINC000354797598 365697149 /nfs/dbraw/zinc/69/71/49/365697149.db2.gz YSPBMEMTZHQTEX-UHFFFAOYSA-N -1 1 257.363 1.084 20 0 CDADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC=CCC2)o1 ZINC000076306335 342320769 /nfs/dbraw/zinc/32/07/69/342320769.db2.gz NFHPNGYTBSQMDK-VIFPVBQESA-N -1 1 285.321 1.453 20 0 CDADMM O=C(NCCOc1ccc(F)cc1)c1cncc([O-])c1 ZINC000339828221 362051929 /nfs/dbraw/zinc/05/19/29/362051929.db2.gz FKTURXGDSNCNPC-UHFFFAOYSA-N -1 1 276.267 1.735 20 0 CDADMM COCC1(S(=O)(=O)[N-]c2cnn(CC(C)C)c2)CC1 ZINC000641684429 365722842 /nfs/dbraw/zinc/72/28/42/365722842.db2.gz ITQSNCQVCSSCLE-UHFFFAOYSA-N -1 1 287.385 1.460 20 0 CDADMM COC(=O)c1cc(CN2CCC[C@H](C(=O)[O-])C2)cs1 ZINC000595876836 343178673 /nfs/dbraw/zinc/17/86/73/343178673.db2.gz GVGVSLIATUJXKG-JTQLQIEISA-N -1 1 283.349 1.831 20 0 CDADMM COC[C@](C)(O)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000081762405 342373355 /nfs/dbraw/zinc/37/33/55/342373355.db2.gz HSICPDXMONNPDV-MRXNPFEDSA-N -1 1 289.331 1.673 20 0 CDADMM C[C@@H]1CCCN(C(=O)CCCc2nn[n-]n2)[C@@H]1C ZINC000635602144 362150391 /nfs/dbraw/zinc/15/03/91/362150391.db2.gz GFHRIHBBJOUVCF-NXEZZACHSA-N -1 1 251.334 1.169 20 0 CDADMM C[C@H](NC(=O)CCCc1nn[n-]n1)C1CCCCC1 ZINC000635603582 362151656 /nfs/dbraw/zinc/15/16/56/362151656.db2.gz PGTYBESKBADDOS-JTQLQIEISA-N -1 1 265.361 1.607 20 0 CDADMM C[C@@H]1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C[C@@H]1O ZINC000092978640 342421177 /nfs/dbraw/zinc/42/11/77/342421177.db2.gz HYBHYWYSZYXHHM-SKDRFNHKSA-N -1 1 287.319 1.178 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271.313 1.172 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2C[C@H]2OC(C)(C)C)n1 ZINC000598729360 343887570 /nfs/dbraw/zinc/88/75/70/343887570.db2.gz PVSQWBJSKZHIQS-PSASIEDQSA-N -1 1 295.339 1.729 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)Cc2cnccc2C)n1 ZINC000598729697 343888079 /nfs/dbraw/zinc/88/80/79/343888079.db2.gz SJEAIMONEVHVJG-UHFFFAOYSA-N -1 1 288.307 1.471 20 0 CDADMM CC(C)[C@H]1OCCC[C@H]1CNC(=O)CCCc1nn[n-]n1 ZINC000635651360 362280104 /nfs/dbraw/zinc/28/01/04/362280104.db2.gz CJLMHSZYGCFFCF-SMDDNHRTSA-N -1 1 295.387 1.090 20 0 CDADMM O=C(NCc1nn[n-]n1)c1ccc(OC2CCC2)cc1 ZINC000095233581 344275701 /nfs/dbraw/zinc/27/57/01/344275701.db2.gz WCFYAAHNMSZTFA-UHFFFAOYSA-N -1 1 273.296 1.061 20 0 CDADMM CCOC(=O)Cn1[n-]c(-c2ccccc2)c(CC)c1=O ZINC000601954441 344293739 /nfs/dbraw/zinc/29/37/39/344293739.db2.gz OAVGWYCRLAYPNW-GFCCVEGCSA-N -1 1 274.320 1.822 20 0 CDADMM Cc1nc(CC(=O)N(C)C[C@@H](C)c2nn[n-]n2)c(C)s1 ZINC000274777504 365801198 /nfs/dbraw/zinc/80/11/98/365801198.db2.gz 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CC[C@@H](O)CCNc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001590477554 1173427785 /nfs/dbraw/zinc/42/77/85/1173427785.db2.gz VFQHNLDRDSKHGB-SNVBAGLBSA-N -1 1 262.317 1.143 20 0 CDADMM CC[C@@H](O)CCNc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001590477554 1173427794 /nfs/dbraw/zinc/42/77/94/1173427794.db2.gz VFQHNLDRDSKHGB-SNVBAGLBSA-N -1 1 262.317 1.143 20 0 CDADMM Cc1cc(=NC(=O)N2CCN(CC(C)C)CC2)[n-]nc1C ZINC000532070556 281902425 /nfs/dbraw/zinc/90/24/25/281902425.db2.gz BZOQKDLFOJHSFY-UHFFFAOYSA-N -1 1 291.399 1.321 20 0 CDADMM CC(C)c1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)on1 ZINC000532793262 282043442 /nfs/dbraw/zinc/04/34/42/282043442.db2.gz GAFQLMQOGYLOSE-VIFPVBQESA-N -1 1 290.327 1.331 20 0 CDADMM Cc1cc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)on1 ZINC000157223663 289281511 /nfs/dbraw/zinc/28/15/11/289281511.db2.gz JWYBBUIQHBZRDI-UHFFFAOYSA-N -1 1 277.671 1.931 20 0 CDADMM CCOC(=O)c1noc(CSc2ncc(C)c(=O)[n-]2)n1 ZINC000314438362 289432594 /nfs/dbraw/zinc/43/25/94/289432594.db2.gz HCFZBPMOMOUCFS-UHFFFAOYSA-N -1 1 296.308 1.343 20 0 CDADMM C[C@H]1CCCC[C@H]1N(C)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000558474743 290398052 /nfs/dbraw/zinc/39/80/52/290398052.db2.gz DPZBWBKINHEUQX-GXSJLCMTSA-N -1 1 289.339 1.068 20 0 CDADMM CCc1nncn1CCN=c1nc(C(F)(F)F)[n-]s1 ZINC000561201691 293062366 /nfs/dbraw/zinc/06/23/66/293062366.db2.gz GWZYHLNWEKLJEE-UHFFFAOYSA-N -1 1 292.290 1.245 20 0 CDADMM O=C([O-])c1cc(CN2CCC[C@@H](n3ccnn3)C2)cs1 ZINC000563281765 293332646 /nfs/dbraw/zinc/33/26/46/293332646.db2.gz CHVVITKZBROIQI-LLVKDONJSA-N -1 1 292.364 1.875 20 0 CDADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCc2nncn2C1 ZINC000565613105 293648342 /nfs/dbraw/zinc/64/83/42/293648342.db2.gz DNVMSEUPOIGHRG-MRVPVSSYSA-N -1 1 292.726 1.838 20 0 CDADMM CCc1nc(SCC(=O)N(C)C)[n-]c(=O)c1C ZINC000570697847 294292504 /nfs/dbraw/zinc/29/25/04/294292504.db2.gz BXKMGMHDKCNIJQ-UHFFFAOYSA-N -1 1 255.343 1.233 20 0 CDADMM O=C(c1ncccc1[O-])N1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000293967168 304610223 /nfs/dbraw/zinc/61/02/23/304610223.db2.gz BIWWPURDZDPLLF-AWEZNQCLSA-N -1 1 288.347 1.818 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)CCN1 ZINC000155121314 300195811 /nfs/dbraw/zinc/19/58/11/300195811.db2.gz FFRGBOMXOSZIIW-QMMMGPOBSA-N -1 1 277.349 1.550 20 0 CDADMM Cc1cnc(C(=O)N2CCSC[C@@H](C)C2)c([O-])c1 ZINC000336599332 302333672 /nfs/dbraw/zinc/33/36/72/302333672.db2.gz NQDIJNAUVIRBJC-JTQLQIEISA-N -1 1 266.366 1.921 20 0 CDADMM CN(C[C@H]1CC1(C)C)c1nccnc1-c1nnn[n-]1 ZINC001591053995 1173567757 /nfs/dbraw/zinc/56/77/57/1173567757.db2.gz ZSZBDZBYYSGSMV-MRVPVSSYSA-N -1 1 259.317 1.139 20 0 CDADMM CN(C[C@H]1CC1(C)C)c1nccnc1-c1nn[n-]n1 ZINC001591053995 1173567761 /nfs/dbraw/zinc/56/77/61/1173567761.db2.gz ZSZBDZBYYSGSMV-MRVPVSSYSA-N -1 1 259.317 1.139 20 0 CDADMM CO[C@@](C)(C(=O)Nc1ncc(-c2nnn[n-]2)s1)C1CC1 ZINC001591314938 1173602121 /nfs/dbraw/zinc/60/21/21/1173602121.db2.gz NHFZMGJZOKMFHI-LLVKDONJSA-N -1 1 294.340 1.077 20 0 CDADMM CO[C@@](C)(C(=O)Nc1ncc(-c2nn[n-]n2)s1)C1CC1 ZINC001591314938 1173602127 /nfs/dbraw/zinc/60/21/27/1173602127.db2.gz 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/nfs/dbraw/zinc/77/82/40/1173778240.db2.gz UUZJILXCEKRMIC-ZETCQYMHSA-N -1 1 288.340 1.595 20 0 CDADMM Cc1cc(N[C@@H](C)c2csnn2)nc(-c2nn[n-]n2)c1 ZINC001592035306 1173778248 /nfs/dbraw/zinc/77/82/48/1173778248.db2.gz UUZJILXCEKRMIC-ZETCQYMHSA-N -1 1 288.340 1.595 20 0 CDADMM Cc1cc(NCCCOC(C)C)nc(-c2nnn[n-]2)c1 ZINC001592048719 1173787390 /nfs/dbraw/zinc/78/73/90/1173787390.db2.gz NQOQEPYWHGYSJF-UHFFFAOYSA-N -1 1 276.344 1.797 20 0 CDADMM Cc1cc(NCCCOC(C)C)nc(-c2nn[n-]n2)c1 ZINC001592048719 1173787395 /nfs/dbraw/zinc/78/73/95/1173787395.db2.gz NQOQEPYWHGYSJF-UHFFFAOYSA-N -1 1 276.344 1.797 20 0 CDADMM Cc1nc(CNc2cccc(-c3nn[n-]n3)n2)[nH]c1C ZINC001592361741 1173867899 /nfs/dbraw/zinc/86/78/99/1173867899.db2.gz ZEJDMNIITVKTJV-UHFFFAOYSA-N -1 1 270.300 1.214 20 0 CDADMM Cc1cccc(C)c1CC(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000181894796 323253769 /nfs/dbraw/zinc/25/37/69/323253769.db2.gz OJAKFMVJNZJLDC-UHFFFAOYSA-N -1 1 288.351 1.006 20 0 CDADMM CC(C)CC1(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)CCC1 ZINC000183408010 323334685 /nfs/dbraw/zinc/33/46/85/323334685.db2.gz VYGOFNROPONTSM-LLVKDONJSA-N -1 1 279.388 1.978 20 0 CDADMM C[C@@H](CN(C)C(=O)c1c(F)cccc1Cl)c1nn[n-]n1 ZINC000183427610 323335016 /nfs/dbraw/zinc/33/50/16/323335016.db2.gz RWDBCXHBAMKOFR-ZETCQYMHSA-N -1 1 297.721 1.868 20 0 CDADMM O=C(c1ncccc1[O-])N1CCC[C@@H]1[C@H]1CCCOC1 ZINC000579596670 324230170 /nfs/dbraw/zinc/23/01/70/324230170.db2.gz IJLVJDUJLMUINY-NWDGAFQWSA-N -1 1 276.336 1.818 20 0 CDADMM CCc1nocc1CS(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000579728077 324268771 /nfs/dbraw/zinc/26/87/71/324268771.db2.gz GDZMRCXNGHVCMN-UHFFFAOYSA-N -1 1 298.368 1.627 20 0 CDADMM CCc1nocc1CS(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000579728077 324268773 /nfs/dbraw/zinc/26/87/73/324268773.db2.gz GDZMRCXNGHVCMN-UHFFFAOYSA-N -1 1 298.368 1.627 20 0 CDADMM CN(C(=O)c1ccc([O-])cc1F)[C@@H]1CCC(=O)N(C)C1 ZINC000581718837 324821438 /nfs/dbraw/zinc/82/14/38/324821438.db2.gz IDYDWTHHOFAKJP-SECBINFHSA-N -1 1 280.299 1.224 20 0 CDADMM COC[C@@H](NC(=O)c1cc(Cl)ccc1[O-])[C@H]1CCCO1 ZINC000582586191 325003361 /nfs/dbraw/zinc/00/33/61/325003361.db2.gz ZXYGRHHZKQYJSI-DGCLKSJQSA-N -1 1 299.754 1.969 20 0 CDADMM CC(=O)c1cc(CSc2ncc(C)c(=O)[n-]2)on1 ZINC000583823638 325249581 /nfs/dbraw/zinc/24/95/81/325249581.db2.gz CTUMDWSKGAOQDS-UHFFFAOYSA-N -1 1 265.294 1.974 20 0 CDADMM Cc1nsc(S[C@H]2CCOC2)c1-c1nnn[n-]1 ZINC001592494515 1173905557 /nfs/dbraw/zinc/90/55/57/1173905557.db2.gz ZLTRDOSMXLXQSM-LURJTMIESA-N -1 1 269.355 1.513 20 0 CDADMM Cc1nsc(S[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC001592494515 1173905561 /nfs/dbraw/zinc/90/55/61/1173905561.db2.gz ZLTRDOSMXLXQSM-LURJTMIESA-N -1 1 269.355 1.513 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](C(=O)N2CCN(C3CCCC3)CC2)C1 ZINC001772382440 1160175570 /nfs/dbraw/zinc/17/55/70/1160175570.db2.gz RWMWQCCKCVIYLT-TXEJJXNPSA-N -1 1 280.368 1.184 20 0 CDADMM CC[C@@H](CNC(=O)C1CCC1)NC(=O)c1ncccc1[O-] ZINC001409218874 1160545824 /nfs/dbraw/zinc/54/58/24/1160545824.db2.gz JRDRVYFKCJVPTL-NSHDSACASA-N -1 1 291.351 1.212 20 0 CDADMM O=C(NCCCOC(F)F)c1ccc([O-])c(F)c1 ZINC000669931724 482515452 /nfs/dbraw/zinc/51/54/52/482515452.db2.gz FGIDAVTYJPAHPJ-UHFFFAOYSA-N -1 1 263.215 1.890 20 0 CDADMM O=C(NCCOC[C@H]1CCOC1)c1ccc([O-])c(F)c1 ZINC000681045604 482668552 /nfs/dbraw/zinc/66/85/52/482668552.db2.gz TXRADUYTQKJUPT-JTQLQIEISA-N -1 1 283.299 1.314 20 0 CDADMM C[C@@H](CNC(=O)c1ccc([O-])c(F)c1)C[C@H](C)O ZINC000681048939 482670866 /nfs/dbraw/zinc/67/08/66/482670866.db2.gz JOKSCXUTOXJWFM-BDAKNGLRSA-N -1 1 255.289 1.668 20 0 CDADMM O=C(NC[C@@]1(O)CCSC1)c1ccc([O-])c(F)c1 ZINC000681051944 482672506 /nfs/dbraw/zinc/67/25/06/482672506.db2.gz JAMMSBYDRKCBBQ-LBPRGKRZSA-N -1 1 271.313 1.129 20 0 CDADMM C[C@@H](O)[C@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681058420 482676446 /nfs/dbraw/zinc/67/64/46/482676446.db2.gz MBTQTKUFPQPKCP-KOLCDFICSA-N -1 1 267.300 1.764 20 0 CDADMM O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1ccc([O-])c(F)c1 ZINC000681067947 482680715 /nfs/dbraw/zinc/68/07/15/482680715.db2.gz OQWQJZHJURSQLT-VIFPVBQESA-N -1 1 292.310 1.272 20 0 CDADMM CO[C@]1(CNC(=O)c2ccc([O-])c(F)c2)CCOC1 ZINC000681069619 482682658 /nfs/dbraw/zinc/68/26/58/482682658.db2.gz FLEKBMCKGAAJMG-ZDUSSCGKSA-N -1 1 269.272 1.067 20 0 CDADMM COc1ccc(CCN2CCOC[C@@H]2CC(=O)[O-])cc1 ZINC000149073224 482733172 /nfs/dbraw/zinc/73/31/72/482733172.db2.gz ODVIJIRGXCACLE-ZDUSSCGKSA-N -1 1 279.336 1.413 20 0 CDADMM O=C(N[C@H]1CCCC(F)(F)[C@@H]1O)c1ccc([O-])cc1F ZINC000335417346 482829374 /nfs/dbraw/zinc/82/93/74/482829374.db2.gz ZGOMOMORZCYLSC-WDEREUQCSA-N -1 1 289.253 1.810 20 0 CDADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@@H]1CC12CCCC2 ZINC000673854569 482857924 /nfs/dbraw/zinc/85/79/24/482857924.db2.gz XDHKWYFHDCCGRW-QWHCGFSZSA-N -1 1 297.362 1.986 20 0 CDADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1ncnn1C ZINC000682813154 482940366 /nfs/dbraw/zinc/94/03/66/482940366.db2.gz FUOOJHQMPAJEQF-ZETCQYMHSA-N -1 1 264.260 1.151 20 0 CDADMM COC[C@@H](C)n1ccc(NC(=O)c2n[nH]c(C)c2[O-])n1 ZINC000681764030 483002393 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COc1ccc([C@H](C)NCC(=O)NCCC(=O)[O-])cc1F ZINC000737949378 576025689 /nfs/dbraw/zinc/02/56/89/576025689.db2.gz LWUHJSINQQQWIH-VIFPVBQESA-N -1 1 298.314 1.076 20 0 CDADMM CC[C@@H](OC1CCCCC1)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765497662 576031070 /nfs/dbraw/zinc/03/10/70/576031070.db2.gz VLJNGZOCIWTQIT-LLVKDONJSA-N -1 1 297.355 1.280 20 0 CDADMM O=C(Nc1ccc(F)cn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738166907 576045511 /nfs/dbraw/zinc/04/55/11/576045511.db2.gz YUUPKOXRVBWOEW-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(Nc1ccc(F)cn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738166907 576045514 /nfs/dbraw/zinc/04/55/14/576045514.db2.gz YUUPKOXRVBWOEW-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM Cc1cc(CN2CCC[C@@H](OCCO)C2)oc1C(=O)[O-] ZINC000738382450 576065519 /nfs/dbraw/zinc/06/55/19/576065519.db2.gz INMWRFQDFLYMGH-LLVKDONJSA-N -1 1 283.324 1.260 20 0 CDADMM c1ccc(OCCNc2nccnc2-c2nnn[n-]2)cc1 ZINC000738435228 576073976 /nfs/dbraw/zinc/07/39/76/576073976.db2.gz JGGXCMMUPLVAFZ-UHFFFAOYSA-N -1 1 283.295 1.148 20 0 CDADMM c1ccc(OCCNc2nccnc2-c2nn[n-]n2)cc1 ZINC000738435228 576073978 /nfs/dbraw/zinc/07/39/78/576073978.db2.gz JGGXCMMUPLVAFZ-UHFFFAOYSA-N -1 1 283.295 1.148 20 0 CDADMM O=C([O-])[C@@H]1CCN(Cc2noc3c2CCCC3)C1 ZINC000739599075 576263780 /nfs/dbraw/zinc/26/37/80/576263780.db2.gz QGJBTKFQRPCUFP-SECBINFHSA-N -1 1 250.298 1.460 20 0 CDADMM O=C([O-])NCCCC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000739967825 576405111 /nfs/dbraw/zinc/40/51/11/576405111.db2.gz ZENSIWXYBIOMSB-UHFFFAOYSA-N -1 1 289.295 1.254 20 0 CDADMM O=C([O-])c1cn(CN(C[C@H]2CCCO2)C2CCCC2)nn1 ZINC000740251598 576450794 /nfs/dbraw/zinc/45/07/94/576450794.db2.gz HZXKHWMVIFKECH-GFCCVEGCSA-N -1 1 294.355 1.357 20 0 CDADMM O=C([O-])c1ncn(CN2CCC3(C2)CCCCC3)n1 ZINC000740283139 576457033 /nfs/dbraw/zinc/45/70/33/576457033.db2.gz DLISIAKQYWOAIL-UHFFFAOYSA-N -1 1 264.329 1.590 20 0 CDADMM CCOC(=O)C1(C[N-]C(=O)C(F)(F)F)CCC1 ZINC000740845681 576518470 /nfs/dbraw/zinc/51/84/70/576518470.db2.gz JMBSMZPOHHRBGT-UHFFFAOYSA-N -1 1 253.220 1.398 20 0 CDADMM CCc1cc(CNC(=O)c2cc(F)c([O-])c(F)c2)n[nH]1 ZINC000762606614 576657743 /nfs/dbraw/zinc/65/77/43/576657743.db2.gz RDSLBDQAZAMVAB-UHFFFAOYSA-N -1 1 281.262 1.886 20 0 CDADMM CC(C)=CC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000762799225 576673757 /nfs/dbraw/zinc/67/37/57/576673757.db2.gz PEFNQPYFDNAYRT-GFCCVEGCSA-N -1 1 257.297 1.372 20 0 CDADMM C[C@H](NC(=O)[C@H](N)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000763017640 576700655 /nfs/dbraw/zinc/70/06/55/576700655.db2.gz CVVBMHWIEDTTAW-IMTBSYHQSA-N -1 1 290.241 1.295 20 0 CDADMM CC[C@H](NC(=O)c1ccc([O-])cc1F)C(OC)OC ZINC000763779423 576756528 /nfs/dbraw/zinc/75/65/28/576756528.db2.gz BYMOBWPRTRDQHJ-NSHDSACASA-N -1 1 271.288 1.659 20 0 CDADMM COCCOCCNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000747365936 576866797 /nfs/dbraw/zinc/86/67/97/576866797.db2.gz RPPDCSSXYURBQM-UHFFFAOYSA-N -1 1 297.355 1.007 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccnc(Cl)c2)n1 ZINC000752973355 577137934 /nfs/dbraw/zinc/13/79/34/577137934.db2.gz FPNJKOVKBUELNR-UHFFFAOYSA-N -1 1 294.698 1.887 20 0 CDADMM C[C@H](C[S@@](C)=O)NC(=O)c1c([O-])cccc1Cl ZINC000753155960 577149996 /nfs/dbraw/zinc/14/99/96/577149996.db2.gz SRJMQOZMQANMGL-IWEMQMMOSA-N -1 1 275.757 1.542 20 0 CDADMM Cc1nn(C)c(C)c1CCC(=O)[N-]OCC(F)F ZINC000759323030 577168340 /nfs/dbraw/zinc/16/83/40/577168340.db2.gz LCSLIJWHICIIIE-UHFFFAOYSA-N -1 1 261.272 1.282 20 0 CDADMM O=C([O-])CN1CCN(C(=O)[C@H]2C[C@@H]2C2CCCC2)CC1 ZINC001602063017 1175124256 /nfs/dbraw/zinc/12/42/56/1175124256.db2.gz GXOGYIRZLCNPPI-OLZOCXBDSA-N -1 1 280.368 1.042 20 0 CDADMM C[C@H](CCO)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000095153426 598970185 /nfs/dbraw/zinc/97/01/85/598970185.db2.gz PPXSFPHMMNWRDA-ZCFIWIBFSA-N -1 1 268.708 1.098 20 0 CDADMM C[C@H](CCO)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000095153426 598970186 /nfs/dbraw/zinc/97/01/86/598970186.db2.gz PPXSFPHMMNWRDA-ZCFIWIBFSA-N -1 1 268.708 1.098 20 0 CDADMM C[C@H](O)CCN(C)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820473410 599052062 /nfs/dbraw/zinc/05/20/62/599052062.db2.gz BYLHTTQPFQIGFR-JTQLQIEISA-N -1 1 298.350 1.622 20 0 CDADMM C[C@H](O)CCN(C)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820473410 599052064 /nfs/dbraw/zinc/05/20/64/599052064.db2.gz BYLHTTQPFQIGFR-JTQLQIEISA-N -1 1 298.350 1.622 20 0 CDADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@@H](C)S1 ZINC000095255983 599074020 /nfs/dbraw/zinc/07/40/20/599074020.db2.gz XPOYEMDUHXPUDB-RKDXNWHRSA-N -1 1 276.369 1.592 20 0 CDADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@@H](C)S1 ZINC000095255983 599074022 /nfs/dbraw/zinc/07/40/22/599074022.db2.gz XPOYEMDUHXPUDB-RKDXNWHRSA-N -1 1 276.369 1.592 20 0 CDADMM CC(C)C[C@H](C)N(C)C(=O)CN[C@H](C(=O)[O-])C(C)(C)C ZINC000826759996 602224197 /nfs/dbraw/zinc/22/41/97/602224197.db2.gz ZTZQMBRLXOGAOP-WCQYABFASA-N -1 1 286.416 1.968 20 0 CDADMM O=C([O-])[C@H]1CCN(Cc2nnc(-c3ccco3)o2)C1 ZINC000062134602 597528484 /nfs/dbraw/zinc/52/84/84/597528484.db2.gz LREKLJYQWKSZBG-QMMMGPOBSA-N -1 1 263.253 1.236 20 0 CDADMM Cc1ccc2nc(CN3CC[C@@H](C(=O)[O-])C3)cn2c1 ZINC000062134239 597530098 /nfs/dbraw/zinc/53/00/98/597530098.db2.gz RGMAXJOTSWXIBR-LLVKDONJSA-N -1 1 259.309 1.549 20 0 CDADMM CN(CCCCC(=O)[O-])Cc1ccc(S(C)(=O)=O)cc1 ZINC000719345604 597782987 /nfs/dbraw/zinc/78/29/87/597782987.db2.gz KKDAEGMJOUFBSZ-UHFFFAOYSA-N -1 1 299.392 1.777 20 0 CDADMM Cc1cc(C)cc([C@@H]2CCN(CC(=O)NCC(=O)[O-])C2)c1 ZINC000820967996 597816330 /nfs/dbraw/zinc/81/63/30/597816330.db2.gz CIBVZHIXHKCXLT-CYBMUJFWSA-N -1 1 290.363 1.294 20 0 CDADMM CCN1CCN(C(=O)c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000110766801 598158567 /nfs/dbraw/zinc/15/85/67/598158567.db2.gz NXUQAHSMGYWVSC-LLVKDONJSA-N -1 1 276.336 1.551 20 0 CDADMM Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OCC(=O)[O-] ZINC000821107316 598161815 /nfs/dbraw/zinc/16/18/15/598161815.db2.gz SKIDCVBSQHQVHP-UHFFFAOYSA-N -1 1 274.276 1.935 20 0 CDADMM CCOC(=O)[C@H](CC)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000829823173 600830694 /nfs/dbraw/zinc/83/06/94/600830694.db2.gz RYIHIYQKFHOVNJ-MNOVXSKESA-N -1 1 269.341 1.515 20 0 CDADMM C[C@@H]1C[C@@H](C)CN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000095252787 599392244 /nfs/dbraw/zinc/39/22/44/599392244.db2.gz FFRODCONVNSQIX-NXEZZACHSA-N -1 1 258.329 1.744 20 0 CDADMM C[C@@H]1C[C@@H](C)CN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000095252787 599392246 /nfs/dbraw/zinc/39/22/46/599392246.db2.gz FFRODCONVNSQIX-NXEZZACHSA-N -1 1 258.329 1.744 20 0 CDADMM c1ccc(CCCNc2cccc(-c3nnn[n-]3)n2)nc1 ZINC000823781024 607384124 /nfs/dbraw/zinc/38/41/24/607384124.db2.gz YRJDPKKRKTYMJH-UHFFFAOYSA-N -1 1 281.323 1.701 20 0 CDADMM c1ccc(CCCNc2cccc(-c3nn[n-]n3)n2)nc1 ZINC000823781024 607384126 /nfs/dbraw/zinc/38/41/26/607384126.db2.gz YRJDPKKRKTYMJH-UHFFFAOYSA-N -1 1 281.323 1.701 20 0 CDADMM O=C(C=Cc1ccccc1)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000210721703 599775809 /nfs/dbraw/zinc/77/58/09/599775809.db2.gz CDHSSPPKMNJBFY-FWWRYZNZSA-N -1 1 285.303 1.235 20 0 CDADMM C[C@H]1Cc2ccccc2N1C(=O)CNC(C)(C)C(=O)[O-] ZINC000087625815 599926374 /nfs/dbraw/zinc/92/63/74/599926374.db2.gz RZQXTHXEANIPIK-JTQLQIEISA-N -1 1 276.336 1.417 20 0 CDADMM C[C@@H](CN(CC(=O)Nc1ccccc1F)C1CC1)C(=O)[O-] ZINC000071734361 599948366 /nfs/dbraw/zinc/94/83/66/599948366.db2.gz PSCHOMTWURVROW-JTQLQIEISA-N -1 1 294.326 1.949 20 0 CDADMM O=C([O-])c1cnoc1CN[C@]12CCC[C@H]1OCC2 ZINC001602546563 1175285664 /nfs/dbraw/zinc/28/56/64/1175285664.db2.gz SNCWDQMJVIOYLU-PWSUYJOCSA-N -1 1 252.270 1.174 20 0 CDADMM CCN(CC)C(=O)CSc1cccc(-c2nn[n-]n2)n1 ZINC000825406007 607903012 /nfs/dbraw/zinc/90/30/12/607903012.db2.gz GWRDQXUEPPMNRU-UHFFFAOYSA-N -1 1 292.368 1.222 20 0 CDADMM CCOC(=O)[C@H](CC)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000829823174 600830468 /nfs/dbraw/zinc/83/04/68/600830468.db2.gz RYIHIYQKFHOVNJ-QWRGUYRKSA-N -1 1 269.341 1.515 20 0 CDADMM CSc1n[nH]c(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC000832798805 600917183 /nfs/dbraw/zinc/91/71/83/600917183.db2.gz MLPLGCJMPVWFQM-RQJHMYQMSA-N -1 1 284.341 1.356 20 0 CDADMM C[C@H](CC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1)C1CC1 ZINC000827225697 601091601 /nfs/dbraw/zinc/09/16/01/601091601.db2.gz BSSKMVDPAANAIF-VXGBXAGGSA-N -1 1 282.384 1.430 20 0 CDADMM C[C@@H](C(=O)N(CCC(=O)[O-])Cc1ccccc1)N(C)C ZINC000832798883 601136568 /nfs/dbraw/zinc/13/65/68/601136568.db2.gz OGHBWCPAKFZVEL-LBPRGKRZSA-N -1 1 278.352 1.440 20 0 CDADMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CCO)CC2 ZINC000832102374 601154035 /nfs/dbraw/zinc/15/40/35/601154035.db2.gz AJUJTDLLEONEKP-GFCCVEGCSA-N -1 1 295.335 1.070 20 0 CDADMM CN(C)Cc1ccnc(NC(=S)NCCCC(=O)[O-])c1 ZINC000830624044 601200715 /nfs/dbraw/zinc/20/07/15/601200715.db2.gz PGLACLWERDHOCN-UHFFFAOYSA-N -1 1 296.396 1.294 20 0 CDADMM CCN1CCCC[C@H]1C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000829771111 601311076 /nfs/dbraw/zinc/31/10/76/601311076.db2.gz SATZUVVLVHYPMH-NSHDSACASA-N -1 1 279.340 1.536 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1CC(=O)N1CCC1 ZINC000833180011 601431996 /nfs/dbraw/zinc/43/19/96/601431996.db2.gz RYVZYYPEEKWNCV-ZIAGYGMSSA-N -1 1 294.395 1.574 20 0 CDADMM COC[C@](C)(CC(=O)[O-])NCc1ccc(C(=O)OC)o1 ZINC000831578834 601488865 /nfs/dbraw/zinc/48/88/65/601488865.db2.gz RMPLQGTVMPAZGM-ZDUSSCGKSA-N -1 1 285.296 1.036 20 0 CDADMM C[C@H]1CN(Cc2nc(-c3cccs3)no2)C[C@H]1C(=O)[O-] ZINC000251834915 601503573 /nfs/dbraw/zinc/50/35/73/601503573.db2.gz PXFFJGRHZVQBLW-DTWKUNHWSA-N -1 1 293.348 1.951 20 0 CDADMM C[C@H]1C[N@@H+](Cc2nc(=O)c3sccc3[n-]2)C[C@@H]1C(=O)[O-] ZINC000111254611 601526648 /nfs/dbraw/zinc/52/66/48/601526648.db2.gz NUOVUZLTNCSCRN-YUMQZZPRSA-N -1 1 293.348 1.137 20 0 CDADMM C[C@@H]1CN(CC(=O)Nc2cccc(F)c2)C[C@@H]1C(=O)[O-] ZINC000111254535 601537443 /nfs/dbraw/zinc/53/74/43/601537443.db2.gz NBLCVQAPTFWVMW-SKDRFNHKSA-N -1 1 280.299 1.417 20 0 CDADMM CC(C)c1cnc(CN2C[C@H](C)[C@H](C(=O)[O-])C2)o1 ZINC000700788573 601542323 /nfs/dbraw/zinc/54/23/23/601542323.db2.gz NPQOFEYPLVBXLR-VHSXEESVSA-N -1 1 252.314 1.951 20 0 CDADMM O=C([O-])c1ccc(NC(=O)NCc2c[nH]nn2)cc1Cl ZINC000398390238 601625366 /nfs/dbraw/zinc/62/53/66/601625366.db2.gz XQGPRORZQZPTJR-UHFFFAOYSA-N -1 1 295.686 1.478 20 0 CDADMM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccccc1F)N(C)C ZINC000832803098 601736249 /nfs/dbraw/zinc/73/62/49/601736249.db2.gz FJMGPMXMYUEKFN-GZMMTYOYSA-N -1 1 268.288 1.018 20 0 CDADMM O=C([O-])[C@@H](OC(=O)c1cc2[nH]cnc2cc1F)C1CC1 ZINC001602598580 1175315724 /nfs/dbraw/zinc/31/57/24/1175315724.db2.gz PFTBLUMHIAPFDZ-NSHDSACASA-N -1 1 278.239 1.722 20 0 CDADMM Cc1cccc([S@@](=O)Cc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826304663 607528685 /nfs/dbraw/zinc/52/86/85/607528685.db2.gz UAPWNMUFOVSAAP-NRFANRHFSA-N -1 1 299.359 1.878 20 0 CDADMM Cc1cccc([S@@](=O)Cc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826304663 607528687 /nfs/dbraw/zinc/52/86/87/607528687.db2.gz UAPWNMUFOVSAAP-NRFANRHFSA-N -1 1 299.359 1.878 20 0 CDADMM CC(=O)Nc1nc(CN[C@@H](C(=O)[O-])C(C)(C)C)cs1 ZINC000825923367 601873743 /nfs/dbraw/zinc/87/37/43/601873743.db2.gz XDKSJZQYXGGLTJ-VIFPVBQESA-N -1 1 285.369 1.690 20 0 CDADMM Cc1nnc(CN2CC[C@](C)(C(=O)[O-])C2)n1C1CC1 ZINC000833017893 601954468 /nfs/dbraw/zinc/95/44/68/601954468.db2.gz KAXRCGCDCBPLDM-ZDUSSCGKSA-N -1 1 264.329 1.218 20 0 CDADMM COC[C@@](C)(CC(=O)[O-])NC/C(Cl)=C/Cl ZINC000831577296 602047233 /nfs/dbraw/zinc/04/72/33/602047233.db2.gz DYEZUKILQWZMTD-WQAKUFEDSA-N -1 1 256.129 1.775 20 0 CDADMM CCc1cc(=O)[n-]c(C[NH2+][C@H](C(=O)[O-])C(C)(C)C)n1 ZINC000830224599 602226163 /nfs/dbraw/zinc/22/61/63/602226163.db2.gz RBXBXNNTOBQWJL-LLVKDONJSA-N -1 1 267.329 1.334 20 0 CDADMM CCN(C)C(=O)CCN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000829608414 604422576 /nfs/dbraw/zinc/42/25/76/604422576.db2.gz JOVFHRKDEMFJSL-UHFFFAOYSA-N -1 1 276.336 1.569 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC000833183089 604425292 /nfs/dbraw/zinc/42/52/92/604425292.db2.gz OVNAKUXNIZHZSI-UMNHJUIQSA-N -1 1 291.351 1.794 20 0 CDADMM C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000833624742 604579593 /nfs/dbraw/zinc/57/95/93/604579593.db2.gz VYIQOYHECRTNQV-WDEREUQCSA-N -1 1 291.351 1.941 20 0 CDADMM O=C([O-])c1cc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)c[nH]1 ZINC000833780150 604638193 /nfs/dbraw/zinc/63/81/93/604638193.db2.gz RWGKITPAEVSACQ-UWVGGRQHSA-N -1 1 292.257 1.601 20 0 CDADMM O=C([O-])CCCN(CC(=O)N1CCC1)Cc1ccccc1 ZINC000833225983 604784918 /nfs/dbraw/zinc/78/49/18/604784918.db2.gz WNKLGJDYHQTIPX-UHFFFAOYSA-N -1 1 290.363 1.586 20 0 CDADMM C[C@@H]1CN(C)C[C@H](C)N1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833620060 604796639 /nfs/dbraw/zinc/79/66/39/604796639.db2.gz BZAWRLMVJHIVFH-TXEJJXNPSA-N -1 1 290.363 1.478 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CN2C[C@H](C)O[C@@H](C)C2)O1 ZINC000833582104 604821659 /nfs/dbraw/zinc/82/16/59/604821659.db2.gz CRAOUQMLLZJMRA-ATZCPNFKSA-N -1 1 255.314 1.243 20 0 CDADMM Cc1cc(N2CCc3ccc(C(=O)[O-])cc3C2)nc(N)n1 ZINC000833746073 604835461 /nfs/dbraw/zinc/83/54/61/604835461.db2.gz MBTJKMOQLZHBLY-UHFFFAOYSA-N -1 1 284.319 1.628 20 0 CDADMM C[C@H]1[C@H](C)N(C(=O)c2cccc(C(=O)[O-])c2)CCN1C ZINC000820220971 604838066 /nfs/dbraw/zinc/83/80/66/604838066.db2.gz GNFSUNHLDUQCGL-QWRGUYRKSA-N -1 1 276.336 1.549 20 0 CDADMM C[C@H]1CCC[C@H](CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])C1 ZINC000833608544 604897396 /nfs/dbraw/zinc/89/73/96/604897396.db2.gz BPBBQVPZTNUJPL-GVXVVHGQSA-N -1 1 293.367 1.738 20 0 CDADMM O=C([O-])C[C@@H](NC(=O)c1cccc2nc[nH]c21)C1CC1 ZINC000833773329 604916478 /nfs/dbraw/zinc/91/64/78/604916478.db2.gz UNLDBIVEXNWDMO-LLVKDONJSA-N -1 1 273.292 1.546 20 0 CDADMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2nccc(N)n2)C1 ZINC000833419048 604952531 /nfs/dbraw/zinc/95/25/31/604952531.db2.gz DUSHGIIGHHDMMV-JTQLQIEISA-N -1 1 278.356 1.382 20 0 CDADMM CC(C)(C)N1C[C@@H](NCc2ccoc2C(=O)[O-])CC1=O ZINC000833431470 605116293 /nfs/dbraw/zinc/11/62/93/605116293.db2.gz NLGBAISOPYFFKM-JTQLQIEISA-N -1 1 280.324 1.467 20 0 CDADMM CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(C(=O)[O-])cn2)C[C@@H]1C ZINC000833655168 605132763 /nfs/dbraw/zinc/13/27/63/605132763.db2.gz APKQDNTZMPCZJB-QWRGUYRKSA-N -1 1 291.351 1.335 20 0 CDADMM CCN1C[C@H](C)N(C(=O)c2ccc(C(=O)[O-])cn2)C[C@@H]1C ZINC000833655168 605132765 /nfs/dbraw/zinc/13/27/65/605132765.db2.gz APKQDNTZMPCZJB-QWRGUYRKSA-N -1 1 291.351 1.335 20 0 CDADMM C[C@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)c1nnc[nH]1 ZINC000230435766 605167720 /nfs/dbraw/zinc/16/77/20/605167720.db2.gz GGXKPBFJMKOSHP-LURJTMIESA-N -1 1 293.258 1.525 20 0 CDADMM CCN1C[C@H](C)N(C(=O)[C@H](NC(=O)[O-])C(C)C)C[C@@H]1C ZINC000833655598 605173612 /nfs/dbraw/zinc/17/36/12/605173612.db2.gz FCRBXJFKNKWEDF-SDDRHHMPSA-N -1 1 285.388 1.220 20 0 CDADMM CC(C)CN(CCOc1ccccc1C(=O)[O-])CC(N)=O ZINC000042691624 605203025 /nfs/dbraw/zinc/20/30/25/605203025.db2.gz ZGHVFTXIFCLAJO-UHFFFAOYSA-N -1 1 294.351 1.207 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(F)=C1CCCC1 ZINC000833624374 605204711 /nfs/dbraw/zinc/20/47/11/605204711.db2.gz UQSWUQYYUHXBOA-LLVKDONJSA-N -1 1 298.358 1.791 20 0 CDADMM CC(C)(C)OC(=O)CCCN1CC[C@@](F)(C(=O)[O-])C1 ZINC000833434460 605376299 /nfs/dbraw/zinc/37/62/99/605376299.db2.gz WIABVTQVHNXSTH-ZDUSSCGKSA-N -1 1 275.320 1.607 20 0 CDADMM C[C@@H]1CC(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])C[C@@H](C)C1 ZINC000833587228 605720629 /nfs/dbraw/zinc/72/06/29/605720629.db2.gz AMXKDXBIWJSGOK-KWBADKCTSA-N -1 1 293.367 1.594 20 0 CDADMM C[C@H](NC(=O)NCC(C)(C)C(=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000833522868 605867330 /nfs/dbraw/zinc/86/73/30/605867330.db2.gz STGPOAWZDQAEMY-JTQLQIEISA-N -1 1 283.372 1.047 20 0 CDADMM Clc1ccc(N2C[C@H]3CCC[C@@H]32)nc1-c1nnn[n-]1 ZINC000822573619 606467376 /nfs/dbraw/zinc/46/73/76/606467376.db2.gz CLFNGKIYJXIEBG-APPZFPTMSA-N -1 1 276.731 1.904 20 0 CDADMM Clc1ccc(N2C[C@H]3CCC[C@@H]32)nc1-c1nn[n-]n1 ZINC000822573619 606467377 /nfs/dbraw/zinc/46/73/77/606467377.db2.gz CLFNGKIYJXIEBG-APPZFPTMSA-N -1 1 276.731 1.904 20 0 CDADMM CSCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821969527 606493939 /nfs/dbraw/zinc/49/39/39/606493939.db2.gz BDOZRKICSZMAFJ-UHFFFAOYSA-N -1 1 269.355 1.021 20 0 CDADMM CSCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821969527 606493940 /nfs/dbraw/zinc/49/39/40/606493940.db2.gz BDOZRKICSZMAFJ-UHFFFAOYSA-N -1 1 269.355 1.021 20 0 CDADMM O=C(Nc1cccnc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823372388 606501139 /nfs/dbraw/zinc/50/11/39/606501139.db2.gz ANXJVTQTTZAWMF-UHFFFAOYSA-N -1 1 272.293 1.576 20 0 CDADMM O=C(Nc1cccnc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823372388 606501140 /nfs/dbraw/zinc/50/11/40/606501140.db2.gz ANXJVTQTTZAWMF-UHFFFAOYSA-N -1 1 272.293 1.576 20 0 CDADMM CN(C[C@@H]1CCOC1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821597641 606585539 /nfs/dbraw/zinc/58/55/39/606585539.db2.gz BSHLAIZETUVILH-QMMMGPOBSA-N -1 1 293.352 1.037 20 0 CDADMM CN(C[C@@H]1CCOC1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821597641 606585540 /nfs/dbraw/zinc/58/55/40/606585540.db2.gz BSHLAIZETUVILH-QMMMGPOBSA-N -1 1 293.352 1.037 20 0 CDADMM c1cn(CCCOc2ccccc2)c(-c2nnn[n-]2)n1 ZINC000823792282 606655297 /nfs/dbraw/zinc/65/52/97/606655297.db2.gz RWEUMBGXFIHFCL-UHFFFAOYSA-N -1 1 270.296 1.532 20 0 CDADMM c1cn(CCCOc2ccccc2)c(-c2nn[n-]n2)n1 ZINC000823792282 606655298 /nfs/dbraw/zinc/65/52/98/606655298.db2.gz RWEUMBGXFIHFCL-UHFFFAOYSA-N -1 1 270.296 1.532 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1CCCC1CCCC1 ZINC000823657463 606980870 /nfs/dbraw/zinc/98/08/70/606980870.db2.gz PIVKHCYFFAOQLX-UHFFFAOYSA-N -1 1 273.340 1.999 20 0 CDADMM C[C@@H]1[C@H](C)OCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820820341 607029679 /nfs/dbraw/zinc/02/96/79/607029679.db2.gz OAIMTUHMURHPEG-SFYZADRCSA-N -1 1 294.746 1.529 20 0 CDADMM C[C@@H]1[C@H](C)OCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820820341 607029681 /nfs/dbraw/zinc/02/96/81/607029681.db2.gz OAIMTUHMURHPEG-SFYZADRCSA-N -1 1 294.746 1.529 20 0 CDADMM O=C(OC[C@@H]1CCCOC1)c1sccc1-c1nn[n-]n1 ZINC000823397333 607082393 /nfs/dbraw/zinc/08/23/93/607082393.db2.gz VIUWWQXAKXEXLE-MRVPVSSYSA-N -1 1 294.336 1.512 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1Cc1ccc(Cl)nc1 ZINC000095218301 607157764 /nfs/dbraw/zinc/15/77/64/607157764.db2.gz WZAGARVMPAITKF-UHFFFAOYSA-N -1 1 288.698 1.125 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C(C1CC1)C1CC1 ZINC000826467440 607805795 /nfs/dbraw/zinc/80/57/95/607805795.db2.gz WGDFLJQSMCOTNK-UHFFFAOYSA-N -1 1 299.334 1.741 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C(C1CC1)C1CC1 ZINC000826467440 607805796 /nfs/dbraw/zinc/80/57/96/607805796.db2.gz WGDFLJQSMCOTNK-UHFFFAOYSA-N -1 1 299.334 1.741 20 0 CDADMM CC1(COc2cccc(F)c2-c2nnn[n-]2)COC1 ZINC000824832805 607864145 /nfs/dbraw/zinc/86/41/45/607864145.db2.gz WPNDFKOQEKMUDA-UHFFFAOYSA-N -1 1 264.260 1.421 20 0 CDADMM CC1(COc2cccc(F)c2-c2nn[n-]n2)COC1 ZINC000824832805 607864146 /nfs/dbraw/zinc/86/41/46/607864146.db2.gz WPNDFKOQEKMUDA-UHFFFAOYSA-N -1 1 264.260 1.421 20 0 CDADMM CCN(CC)C(=O)CSc1cccc(-c2nnn[n-]2)n1 ZINC000825406007 607903011 /nfs/dbraw/zinc/90/30/11/607903011.db2.gz GWRDQXUEPPMNRU-UHFFFAOYSA-N -1 1 292.368 1.222 20 0 CDADMM CC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000825202941 607988845 /nfs/dbraw/zinc/98/88/45/607988845.db2.gz LODDFTFCXHIGGP-VIFPVBQESA-N -1 1 259.317 1.283 20 0 CDADMM COc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1OC ZINC000826210312 607987871 /nfs/dbraw/zinc/98/78/71/607987871.db2.gz MLTXVOOXPKIEOV-UHFFFAOYSA-N -1 1 299.294 1.418 20 0 CDADMM COc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1OC ZINC000826210312 607987872 /nfs/dbraw/zinc/98/78/72/607987872.db2.gz MLTXVOOXPKIEOV-UHFFFAOYSA-N -1 1 299.294 1.418 20 0 CDADMM CN(Cc1ccsc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825986008 607988254 /nfs/dbraw/zinc/98/82/54/607988254.db2.gz KLEOFECCTRYOLS-UHFFFAOYSA-N -1 1 273.325 1.355 20 0 CDADMM CN(Cc1ccsc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825986008 607988255 /nfs/dbraw/zinc/98/82/55/607988255.db2.gz KLEOFECCTRYOLS-UHFFFAOYSA-N -1 1 273.325 1.355 20 0 CDADMM CC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825202941 607988844 /nfs/dbraw/zinc/98/88/44/607988844.db2.gz LODDFTFCXHIGGP-VIFPVBQESA-N -1 1 259.317 1.283 20 0 CDADMM Cc1ncccc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826330152 607998094 /nfs/dbraw/zinc/99/80/94/607998094.db2.gz HSNYMVAXARLHBD-UHFFFAOYSA-N -1 1 296.290 1.528 20 0 CDADMM CCO[C@H](CC)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825576432 607998538 /nfs/dbraw/zinc/99/85/38/607998538.db2.gz GPPJNCHGRZIRFL-LLVKDONJSA-N -1 1 291.311 1.326 20 0 CDADMM Clc1ncc(Cn2ccnc2-c2nnn[n-]2)s1 ZINC000826353808 608148811 /nfs/dbraw/zinc/14/88/11/608148811.db2.gz DXNTVIATUQRANX-UHFFFAOYSA-N -1 1 267.705 1.221 20 0 CDADMM Clc1ncc(Cn2ccnc2-c2nn[n-]n2)s1 ZINC000826353808 608148814 /nfs/dbraw/zinc/14/88/14/608148814.db2.gz DXNTVIATUQRANX-UHFFFAOYSA-N -1 1 267.705 1.221 20 0 CDADMM Cc1ccsc1CCNc1nccnc1-c1nnn[n-]1 ZINC000826316657 608294515 /nfs/dbraw/zinc/29/45/15/608294515.db2.gz UUHCPIAKUJLHRD-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM Cc1ccsc1CCNc1nccnc1-c1nn[n-]n1 ZINC000826316657 608294516 /nfs/dbraw/zinc/29/45/16/608294516.db2.gz UUHCPIAKUJLHRD-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM C[C@H](CCc1ccco1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824414307 608391056 /nfs/dbraw/zinc/39/10/56/608391056.db2.gz ZDFKDMJKQLKXLD-SECBINFHSA-N -1 1 285.311 1.683 20 0 CDADMM C[C@H](CCc1ccco1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824414307 608391058 /nfs/dbraw/zinc/39/10/58/608391058.db2.gz ZDFKDMJKQLKXLD-SECBINFHSA-N -1 1 285.311 1.683 20 0 CDADMM c1c[nH]c([C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)n1 ZINC000826512144 608429435 /nfs/dbraw/zinc/42/94/35/608429435.db2.gz PZWXEKMLHOIURM-JTQLQIEISA-N -1 1 297.326 1.111 20 0 CDADMM c1c[nH]c([C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)n1 ZINC000826512144 608429437 /nfs/dbraw/zinc/42/94/37/608429437.db2.gz PZWXEKMLHOIURM-JTQLQIEISA-N -1 1 297.326 1.111 20 0 CDADMM c1cc(N2C[C@@H]3CCCC[C@H]3C2)nnc1-c1nnn[n-]1 ZINC000826516478 608429586 /nfs/dbraw/zinc/42/95/86/608429586.db2.gz MHKUTBYTNXUCRW-UWVGGRQHSA-N -1 1 271.328 1.283 20 0 CDADMM c1cc(N2C[C@@H]3CCCC[C@H]3C2)nnc1-c1nn[n-]n1 ZINC000826516478 608429588 /nfs/dbraw/zinc/42/95/88/608429588.db2.gz MHKUTBYTNXUCRW-UWVGGRQHSA-N -1 1 271.328 1.283 20 0 CDADMM CCC(CC)CN(CC)c1ccc(-c2nnn[n-]2)nn1 ZINC000825108002 608435878 /nfs/dbraw/zinc/43/58/78/608435878.db2.gz TVZVXUORMSWHQC-UHFFFAOYSA-N -1 1 275.360 1.919 20 0 CDADMM CCC(CC)CN(CC)c1ccc(-c2nn[n-]n2)nn1 ZINC000825108002 608435880 /nfs/dbraw/zinc/43/58/80/608435880.db2.gz TVZVXUORMSWHQC-UHFFFAOYSA-N -1 1 275.360 1.919 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCCSCC1 ZINC000826280615 608545103 /nfs/dbraw/zinc/54/51/03/608545103.db2.gz JCFJXWDUTNWFRC-UHFFFAOYSA-N -1 1 276.369 1.513 20 0 CDADMM Clc1cc(Cn2ccnc2-c2nnn[n-]2)ccn1 ZINC000826351077 608890569 /nfs/dbraw/zinc/89/05/69/608890569.db2.gz WJXYRCBXHZESIQ-UHFFFAOYSA-N -1 1 261.676 1.160 20 0 CDADMM Clc1cc(Cn2ccnc2-c2nn[n-]n2)ccn1 ZINC000826351077 608890571 /nfs/dbraw/zinc/89/05/71/608890571.db2.gz WJXYRCBXHZESIQ-UHFFFAOYSA-N -1 1 261.676 1.160 20 0 CDADMM CC1(C)C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)O1 ZINC000824790956 609318532 /nfs/dbraw/zinc/31/85/32/609318532.db2.gz TZRJEWVBKTZPDW-VIFPVBQESA-N -1 1 289.343 1.415 20 0 CDADMM CC1(C)C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)O1 ZINC000824790956 609318533 /nfs/dbraw/zinc/31/85/33/609318533.db2.gz TZRJEWVBKTZPDW-VIFPVBQESA-N -1 1 289.343 1.415 20 0 CDADMM CC[C@](C)(CCO)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825044939 609396500 /nfs/dbraw/zinc/39/65/00/609396500.db2.gz WFQVAAGBWBZXJM-GFCCVEGCSA-N -1 1 295.368 1.209 20 0 CDADMM CC[C@](C)(CCO)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825044939 609396502 /nfs/dbraw/zinc/39/65/02/609396502.db2.gz WFQVAAGBWBZXJM-GFCCVEGCSA-N -1 1 295.368 1.209 20 0 CDADMM C[C@H]1OCC[C@@]1(C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000825012852 609593635 /nfs/dbraw/zinc/59/36/35/609593635.db2.gz MNQWDDNKXRYAPM-PRHODGIISA-N -1 1 260.301 1.241 20 0 CDADMM C[C@H]1OCC[C@@]1(C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000825012852 609593636 /nfs/dbraw/zinc/59/36/36/609593636.db2.gz MNQWDDNKXRYAPM-PRHODGIISA-N -1 1 260.301 1.241 20 0 CDADMM O=C(c1c([O-])cccc1Cl)N1CC[C@H](O)[C@H](F)C1 ZINC000890690377 617277686 /nfs/dbraw/zinc/27/76/86/617277686.db2.gz DTGXPCVEFQIGLB-BDAKNGLRSA-N -1 1 273.691 1.591 20 0 CDADMM O=C(NCC[C@H](O)C1CC1)c1c(F)ccc([O-])c1F ZINC000890719445 617304054 /nfs/dbraw/zinc/30/40/54/617304054.db2.gz GBHIWAWCQAOCBV-VIFPVBQESA-N -1 1 271.263 1.561 20 0 CDADMM COC1(CNC(=O)CCCc2nn[n-]n2)CCCCCC1 ZINC000890838043 617341342 /nfs/dbraw/zinc/34/13/42/617341342.db2.gz YKTQKCMOBYUKTM-UHFFFAOYSA-N -1 1 295.387 1.378 20 0 CDADMM COCc1nc(NC[C@](C)(O)C(C)C)cc(=O)[n-]1 ZINC000892470867 617399801 /nfs/dbraw/zinc/39/98/01/617399801.db2.gz PDBRSPWJBUSQEA-LBPRGKRZSA-N -1 1 255.318 1.148 20 0 CDADMM COCc1nc(N[C@@H]2CCO[C@H](C3CC3)C2)cc(=O)[n-]1 ZINC000893194298 617456152 /nfs/dbraw/zinc/45/61/52/617456152.db2.gz FRDSPVFGCFBESV-MNOVXSKESA-N -1 1 279.340 1.698 20 0 CDADMM CC(C)C(=O)N1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000943870838 614362260 /nfs/dbraw/zinc/36/22/60/614362260.db2.gz FDZYFFHNFBHSMC-LLVKDONJSA-N -1 1 291.351 1.164 20 0 CDADMM O=C([N-]S(=O)(=O)C1(Cl)CC1)c1ccc2cncn2c1 ZINC000893235558 617480456 /nfs/dbraw/zinc/48/04/56/617480456.db2.gz XIHFYJKRQMLUDC-UHFFFAOYSA-N -1 1 299.739 1.123 20 0 CDADMM COCc1nc(NC[C@@H]2Cc3ccccc3O2)cc(=O)[n-]1 ZINC000891757795 617571551 /nfs/dbraw/zinc/57/15/51/617571551.db2.gz UAUIATJBYVZQJA-NSHDSACASA-N -1 1 287.319 1.744 20 0 CDADMM C[C@@H](CC(=O)N(C)c1nn[n-]n1)c1ccc(F)cc1F ZINC000892954582 617977715 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Cc1cccc([C@@H](O)CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001605907573 1163712047 /nfs/dbraw/zinc/71/20/47/1163712047.db2.gz KJGZGQYQQXBFOZ-LBPRGKRZSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1ccn(CC[C@@H]2C[C@H]2C2CC2)c(=O)c1-c1nn[n-]n1 ZINC001605950536 1163723372 /nfs/dbraw/zinc/72/33/72/1163723372.db2.gz XJFFZMOTWIEHLA-NEPJUHHUSA-N -1 1 285.351 1.773 20 0 CDADMM CN(C)C1CN(C(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)C1 ZINC001606016382 1163746084 /nfs/dbraw/zinc/74/60/84/1163746084.db2.gz KBETUNCCQRAXKX-CZUORRHYSA-N -1 1 288.347 1.017 20 0 CDADMM CN(Cc1ccc(C(=O)[O-])[nH]1)CC1=CCCOC1 ZINC001606095482 1163770031 /nfs/dbraw/zinc/77/00/31/1163770031.db2.gz AHEGQGVCHVVDHN-UHFFFAOYSA-N -1 1 250.298 1.491 20 0 CDADMM CN(Cc1c[nH]c(C(=O)[O-])c1)[C@H]1CCCc2c1cnn2C ZINC001606145971 1163787409 /nfs/dbraw/zinc/78/74/09/1163787409.db2.gz RAJZSBDJYAMMNA-ZDUSSCGKSA-N -1 1 288.351 1.956 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCC[C@@H]1C ZINC001606166372 1163794161 /nfs/dbraw/zinc/79/41/61/1163794161.db2.gz BUZSVUAUSIAPDY-OIBJUYFYSA-N -1 1 275.312 1.687 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCC[C@@H]1C ZINC001606166372 1163794169 /nfs/dbraw/zinc/79/41/69/1163794169.db2.gz BUZSVUAUSIAPDY-OIBJUYFYSA-N -1 1 275.312 1.687 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@]1(C)CC=CCC1 ZINC001606166933 1163794793 /nfs/dbraw/zinc/79/47/93/1163794793.db2.gz IGJHWJJLAYEWSD-CQSZACIVSA-N -1 1 287.323 1.997 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@]1(C)CC=CCC1 ZINC001606166933 1163794797 /nfs/dbraw/zinc/79/47/97/1163794797.db2.gz IGJHWJJLAYEWSD-CQSZACIVSA-N -1 1 287.323 1.997 20 0 CDADMM Clc1nsc(N2CCCOCC2)c1-c1nnn[n-]1 ZINC001606201136 1163805999 /nfs/dbraw/zinc/80/59/99/1163805999.db2.gz VMGKUADTXVTHMW-UHFFFAOYSA-N -1 1 286.748 1.203 20 0 CDADMM Clc1nsc(N2CCCOCC2)c1-c1nn[n-]n1 ZINC001606201136 1163806003 /nfs/dbraw/zinc/80/60/03/1163806003.db2.gz VMGKUADTXVTHMW-UHFFFAOYSA-N -1 1 286.748 1.203 20 0 CDADMM CN1Cc2ccccc2[C@H](Nc2nccnc2C(=O)[O-])C1 ZINC001606258203 1163830468 /nfs/dbraw/zinc/83/04/68/1163830468.db2.gz BSVHXEQBQWCYCC-GFCCVEGCSA-N -1 1 284.319 1.773 20 0 CDADMM Fc1ccc(C=CCNc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC001606316948 1163855320 /nfs/dbraw/zinc/85/53/20/1163855320.db2.gz OJDHNEOOEHFEIP-UPHRSURJSA-N -1 1 285.286 1.854 20 0 CDADMM Fc1ccc(C=CCNc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC001606316948 1163855326 /nfs/dbraw/zinc/85/53/26/1163855326.db2.gz OJDHNEOOEHFEIP-UPHRSURJSA-N -1 1 285.286 1.854 20 0 CDADMM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1CCC=C(C)C ZINC001606370894 1163879787 /nfs/dbraw/zinc/87/97/87/1163879787.db2.gz AXMTUPAIZCQGRD-NEPJUHHUSA-N -1 1 269.341 1.681 20 0 CDADMM COC(=O)[C@@H]1CCCCCN1C/C(C)=C/C(=O)[O-] ZINC001606403324 1163889158 /nfs/dbraw/zinc/88/91/58/1163889158.db2.gz HOIJJFODVDVVHZ-UQSGXBNBSA-N -1 1 255.314 1.435 20 0 CDADMM O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606723044 1163970912 /nfs/dbraw/zinc/97/09/12/1163970912.db2.gz MZQWXVMISNVPHM-FOGDFJRCSA-N -1 1 298.350 1.428 20 0 CDADMM O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606723044 1163970921 /nfs/dbraw/zinc/97/09/21/1163970921.db2.gz MZQWXVMISNVPHM-FOGDFJRCSA-N -1 1 298.350 1.428 20 0 CDADMM O=C(NCc1ccccc1F)c1coc(-c2nnn[n-]2)c1 ZINC001606839341 1164010807 /nfs/dbraw/zinc/01/08/07/1164010807.db2.gz GTVMPEIKBFSPOG-UHFFFAOYSA-N -1 1 287.254 1.529 20 0 CDADMM O=C(NCc1ccccc1F)c1coc(-c2nn[n-]n2)c1 ZINC001606839341 1164010811 /nfs/dbraw/zinc/01/08/11/1164010811.db2.gz GTVMPEIKBFSPOG-UHFFFAOYSA-N -1 1 287.254 1.529 20 0 CDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@]12C[C@H]1CCC2 ZINC001606842283 1164012581 /nfs/dbraw/zinc/01/25/81/1164012581.db2.gz NEJDWHQQMDHLCO-QMTHXVAHSA-N -1 1 284.323 1.068 20 0 CDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@]12C[C@H]1CCC2 ZINC001606842283 1164012590 /nfs/dbraw/zinc/01/25/90/1164012590.db2.gz NEJDWHQQMDHLCO-QMTHXVAHSA-N -1 1 284.323 1.068 20 0 CDADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)C1CCCCC1 ZINC001606845322 1164012663 /nfs/dbraw/zinc/01/26/63/1164012663.db2.gz WPQCLCMPLDHXIA-UHFFFAOYSA-N -1 1 292.368 1.520 20 0 CDADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)C1CCCCC1 ZINC001606845322 1164012668 /nfs/dbraw/zinc/01/26/68/1164012668.db2.gz WPQCLCMPLDHXIA-UHFFFAOYSA-N -1 1 292.368 1.520 20 0 CDADMM O=C(Nc1cccc2c1CCO2)c1coc(-c2nnn[n-]2)c1 ZINC001606938444 1164033763 /nfs/dbraw/zinc/03/37/63/1164033763.db2.gz VNBAGXJYHIZRMO-UHFFFAOYSA-N -1 1 297.274 1.647 20 0 CDADMM O=C(Nc1cccc2c1CCO2)c1coc(-c2nn[n-]n2)c1 ZINC001606938444 1164033769 /nfs/dbraw/zinc/03/37/69/1164033769.db2.gz VNBAGXJYHIZRMO-UHFFFAOYSA-N -1 1 297.274 1.647 20 0 CDADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H]1C[C@H]1F ZINC001606949680 1164036141 /nfs/dbraw/zinc/03/61/41/1164036141.db2.gz IMFFQIJBSVWTGB-STHAYSLISA-N -1 1 288.695 1.273 20 0 CDADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)C(F)=C1CCC1 ZINC001606984964 1164049842 /nfs/dbraw/zinc/04/98/42/1164049842.db2.gz DXVCUQNDNDFGAW-UHFFFAOYSA-N -1 1 295.299 1.774 20 0 CDADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)C(F)=C1CCC1 ZINC001606984964 1164049849 /nfs/dbraw/zinc/04/98/49/1164049849.db2.gz DXVCUQNDNDFGAW-UHFFFAOYSA-N -1 1 295.299 1.774 20 0 CDADMM CON(C(=O)c1cc(C2CC2)n[nH]1)[C@@H](C)CC(=O)[O-] ZINC001606987471 1164053036 /nfs/dbraw/zinc/05/30/36/1164053036.db2.gz RYMVADOMTHRJQT-ZETCQYMHSA-N -1 1 267.285 1.154 20 0 CDADMM OC[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC001607108708 1164089286 /nfs/dbraw/zinc/08/92/86/1164089286.db2.gz ILXRGSSDROSHQD-MGCOHNPYSA-N -1 1 296.334 1.598 20 0 CDADMM OC[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC001607108708 1164089295 /nfs/dbraw/zinc/08/92/95/1164089295.db2.gz ILXRGSSDROSHQD-MGCOHNPYSA-N -1 1 296.334 1.598 20 0 CDADMM c1cc(N2CC[C@H](C3CCC3)C2)nnc1-c1nnn[n-]1 ZINC001607119883 1164103324 /nfs/dbraw/zinc/10/33/24/1164103324.db2.gz LHQWQRVZVMZCSY-JTQLQIEISA-N -1 1 271.328 1.283 20 0 CDADMM c1cc(N2CC[C@H](C3CCC3)C2)nnc1-c1nn[n-]n1 ZINC001607119883 1164103325 /nfs/dbraw/zinc/10/33/25/1164103325.db2.gz LHQWQRVZVMZCSY-JTQLQIEISA-N -1 1 271.328 1.283 20 0 CDADMM c1coc(C2CCN(c3ncncc3-c3nn[n-]n3)CC2)n1 ZINC001607135965 1164114865 /nfs/dbraw/zinc/11/48/65/1164114865.db2.gz XHBXZVZEHMTWLE-UHFFFAOYSA-N -1 1 298.310 1.029 20 0 CDADMM c1nc(NC[C@H]2CCC3(CCC3)O2)cc(-c2nnn[n-]2)n1 ZINC001607137438 1164116386 /nfs/dbraw/zinc/11/63/86/1164116386.db2.gz UGLVREPUTBZBKF-SECBINFHSA-N -1 1 287.327 1.170 20 0 CDADMM c1nc(NC[C@H]2CCC3(CCC3)O2)cc(-c2nn[n-]n2)n1 ZINC001607137438 1164116390 /nfs/dbraw/zinc/11/63/90/1164116390.db2.gz UGLVREPUTBZBKF-SECBINFHSA-N -1 1 287.327 1.170 20 0 CDADMM CSCc1n[nH]c(CNc2cccc(C(=O)[O-])n2)n1 ZINC001607401182 1164167986 /nfs/dbraw/zinc/16/79/86/1164167986.db2.gz ZKPZVHVMYFLYOX-UHFFFAOYSA-N -1 1 279.325 1.373 20 0 CDADMM CSCc1nnc(CNc2cccc(C(=O)[O-])n2)[nH]1 ZINC001607401182 1164167988 /nfs/dbraw/zinc/16/79/88/1164167988.db2.gz ZKPZVHVMYFLYOX-UHFFFAOYSA-N -1 1 279.325 1.373 20 0 CDADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1ccc(=O)[nH]c1 ZINC001147143487 1164269292 /nfs/dbraw/zinc/26/92/92/1164269292.db2.gz BBJXTWBYNHFZTQ-UHFFFAOYSA-N -1 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O=C([O-])[C@H]1CCC[C@@H](C(=O)NC2(c3nnc[nH]3)CCC2)C1 ZINC001608621162 1164576239 /nfs/dbraw/zinc/57/62/39/1164576239.db2.gz ALPAFQMZLIOODU-ZJUUUORDSA-N -1 1 292.339 1.191 20 0 CDADMM O=C([O-])[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC001608633698 1164582413 /nfs/dbraw/zinc/58/24/13/1164582413.db2.gz AFCJERYRRVWBJN-KOLCDFICSA-N -1 1 283.711 1.872 20 0 CDADMM O=C([O-])CC1(NCc2nnc(C3CC3)o2)CCCC1 ZINC001608688630 1164605118 /nfs/dbraw/zinc/60/51/18/1164605118.db2.gz SJCJYFGCCXQQCK-UHFFFAOYSA-N -1 1 265.313 1.824 20 0 CDADMM O=C([O-])C[C@@H]1CN(Cc2cccc3c[nH]nc32)CCO1 ZINC001608700643 1164610149 /nfs/dbraw/zinc/61/01/49/1164610149.db2.gz VMHNFMAFXWBEJU-GFCCVEGCSA-N -1 1 275.308 1.238 20 0 CDADMM O=C([O-])COc1ccccc1CNC[C@H](O)C(F)(F)F ZINC001608765495 1164631694 /nfs/dbraw/zinc/63/16/94/1164631694.db2.gz JNTCIOPDNWJFLS-JTQLQIEISA-N -1 1 293.241 1.163 20 0 CDADMM CC1(C)CC(CC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC001609144145 1164791011 /nfs/dbraw/zinc/79/10/11/1164791011.db2.gz KTPHQQGKBHHLHR-UHFFFAOYSA-N -1 1 275.316 1.112 20 0 CDADMM C[C@]1(F)CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001609150284 1164797510 /nfs/dbraw/zinc/79/75/10/1164797510.db2.gz UULQDKQJHCLOJX-LBPRGKRZSA-N -1 1 295.343 1.892 20 0 CDADMM C[C@]1(F)CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001609150284 1164797519 /nfs/dbraw/zinc/79/75/19/1164797519.db2.gz UULQDKQJHCLOJX-LBPRGKRZSA-N -1 1 295.343 1.892 20 0 CDADMM C[C@H]1CCC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001609163218 1164811406 /nfs/dbraw/zinc/81/14/06/1164811406.db2.gz USLPDSXGVRWIJY-UWVGGRQHSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@H]1CCC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001609163218 1164811413 /nfs/dbraw/zinc/81/14/13/1164811413.db2.gz USLPDSXGVRWIJY-UWVGGRQHSA-N -1 1 273.344 1.672 20 0 CDADMM CCOCCCCNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001609240575 1164862070 /nfs/dbraw/zinc/86/20/70/1164862070.db2.gz PYSDZHUIHUZOTF-UHFFFAOYSA-N -1 1 276.344 1.799 20 0 CDADMM CCOCCCCNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001609240575 1164862076 /nfs/dbraw/zinc/86/20/76/1164862076.db2.gz PYSDZHUIHUZOTF-UHFFFAOYSA-N -1 1 276.344 1.799 20 0 CDADMM O=C([N-]CC1CN(C(=O)OCC2CC2)C1)C(F)(F)F ZINC000867902328 1164879405 /nfs/dbraw/zinc/87/94/05/1164879405.db2.gz GSMNNCPVXMCYOP-UHFFFAOYSA-N -1 1 280.246 1.143 20 0 CDADMM CN(Cc1cccnc1)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609280824 1164879684 /nfs/dbraw/zinc/87/96/84/1164879684.db2.gz FFVCJKGOUJJIDA-UHFFFAOYSA-N -1 1 284.279 1.127 20 0 CDADMM CN(Cc1cccnc1)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609280824 1164879687 /nfs/dbraw/zinc/87/96/87/1164879687.db2.gz FFVCJKGOUJJIDA-UHFFFAOYSA-N -1 1 284.279 1.127 20 0 CDADMM COc1ccc([C@@H](C)Nc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001609352681 1164908501 /nfs/dbraw/zinc/90/85/01/1164908501.db2.gz LVWYCGNLMGKXKD-SECBINFHSA-N -1 1 297.322 1.838 20 0 CDADMM COc1ccc([C@@H](C)Nc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001609352681 1164908510 /nfs/dbraw/zinc/90/85/10/1164908510.db2.gz LVWYCGNLMGKXKD-SECBINFHSA-N -1 1 297.322 1.838 20 0 CDADMM CSC(C)(C)COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609369282 1164911223 /nfs/dbraw/zinc/91/12/23/1164911223.db2.gz SYHWCVHBAPQPJD-UHFFFAOYSA-N -1 1 282.325 1.758 20 0 CDADMM Cc1ccc(N2CCC(C)(C)C2)nc1-c1nnn[n-]1 ZINC001609425096 1164942176 /nfs/dbraw/zinc/94/21/76/1164942176.db2.gz YGSWIUGIRKUMBG-UHFFFAOYSA-N -1 1 258.329 1.806 20 0 CDADMM Cc1ccc(N2CCC(C)(C)C2)nc1-c1nn[n-]n1 ZINC001609425096 1164942180 /nfs/dbraw/zinc/94/21/80/1164942180.db2.gz YGSWIUGIRKUMBG-UHFFFAOYSA-N -1 1 258.329 1.806 20 0 CDADMM Cc1[nH]nc(NC(=O)c2ccsc2)c1-c1nn[n-]n1 ZINC001609444607 1164951454 /nfs/dbraw/zinc/95/14/54/1164951454.db2.gz KKDFEIINSXQXET-UHFFFAOYSA-N -1 1 275.297 1.212 20 0 CDADMM Cc1nsc(N[C@H]2CCC[C@H](CO)C2)c1-c1nn[n-]n1 ZINC001609466035 1164962677 /nfs/dbraw/zinc/96/26/77/1164962677.db2.gz ZTYCZVUAPQRZTJ-IUCAKERBSA-N -1 1 294.384 1.595 20 0 CDADMM Cc1noc(C)c1CCCNc1ccnc(-c2nnn[n-]2)c1 ZINC001609462435 1164962796 /nfs/dbraw/zinc/96/27/96/1164962796.db2.gz BSAFILLKMNPIAJ-UHFFFAOYSA-N -1 1 299.338 1.911 20 0 CDADMM Cc1noc(C)c1CCCNc1ccnc(-c2nn[n-]n2)c1 ZINC001609462435 1164962803 /nfs/dbraw/zinc/96/28/03/1164962803.db2.gz BSAFILLKMNPIAJ-UHFFFAOYSA-N -1 1 299.338 1.911 20 0 CDADMM FC1(F)CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001609486740 1164969357 /nfs/dbraw/zinc/96/93/57/1164969357.db2.gz YQHBCPYTVJLGKR-SSDOTTSWSA-N -1 1 281.270 1.504 20 0 CDADMM FC1(F)CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001609486740 1164969360 /nfs/dbraw/zinc/96/93/60/1164969360.db2.gz YQHBCPYTVJLGKR-SSDOTTSWSA-N -1 1 281.270 1.504 20 0 CDADMM Fc1cccc2c1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001609492144 1164975279 /nfs/dbraw/zinc/97/52/79/1164975279.db2.gz IILKWPIWPLFDQY-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM Fc1cccc2c1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001609492144 1164975284 /nfs/dbraw/zinc/97/52/84/1164975284.db2.gz IILKWPIWPLFDQY-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM Fc1ccc(OCc2cscn2)c(-c2nn[n-]n2)n1 ZINC001609491248 1164976310 /nfs/dbraw/zinc/97/63/10/1164976310.db2.gz RWPQYHOXVSINNP-UHFFFAOYSA-N -1 1 278.272 1.436 20 0 CDADMM O=C(COC1CCCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609529969 1164982370 /nfs/dbraw/zinc/98/23/70/1164982370.db2.gz ODUOHLMDKYLJMW-UHFFFAOYSA-N -1 1 288.311 1.159 20 0 CDADMM O=C(COC1CCCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609529969 1164982374 /nfs/dbraw/zinc/98/23/74/1164982374.db2.gz ODUOHLMDKYLJMW-UHFFFAOYSA-N -1 1 288.311 1.159 20 0 CDADMM O=C(OCCCCF)c1sccc1-c1nn[n-]n1 ZINC001609574245 1164992836 /nfs/dbraw/zinc/99/28/36/1164992836.db2.gz NWHSTATUPZUINF-UHFFFAOYSA-N -1 1 270.289 1.835 20 0 CDADMM O=C(OCCCF)c1cccc(F)c1-c1nnn[n-]1 ZINC001609574360 1164995047 /nfs/dbraw/zinc/99/50/47/1164995047.db2.gz SYCLJVJJGJQPQT-UHFFFAOYSA-N -1 1 268.223 1.522 20 0 CDADMM O=C(OCCCF)c1cccc(F)c1-c1nn[n-]n1 ZINC001609574360 1164995051 /nfs/dbraw/zinc/99/50/51/1164995051.db2.gz SYCLJVJJGJQPQT-UHFFFAOYSA-N -1 1 268.223 1.522 20 0 CDADMM OCCC1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC001609609527 1165003393 /nfs/dbraw/zinc/00/33/93/1165003393.db2.gz KJKNGAYMHCVOCZ-UHFFFAOYSA-N -1 1 294.746 1.490 20 0 CDADMM OCCC1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC001609609527 1165003398 /nfs/dbraw/zinc/00/33/98/1165003398.db2.gz KJKNGAYMHCVOCZ-UHFFFAOYSA-N -1 1 294.746 1.490 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC001609618996 1165015716 /nfs/dbraw/zinc/01/57/16/1165015716.db2.gz DANZLHLKUDXQCV-GHMZBOCLSA-N -1 1 286.339 1.125 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC001609618996 1165015718 /nfs/dbraw/zinc/01/57/18/1165015718.db2.gz DANZLHLKUDXQCV-GHMZBOCLSA-N -1 1 286.339 1.125 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NCc2noc3c2CCCC3)n1 ZINC001609621287 1165017233 /nfs/dbraw/zinc/01/72/33/1165017233.db2.gz YSYLQRLRAWOKOU-UHFFFAOYSA-N -1 1 298.310 1.136 20 0 CDADMM CC(C)n1cc(CN2CCC([C@H](O)C(=O)[O-])CC2)cn1 ZINC001609724170 1165057030 /nfs/dbraw/zinc/05/70/30/1165057030.db2.gz WDSMRFLKBKKRFF-ZDUSSCGKSA-N -1 1 281.356 1.122 20 0 CDADMM C[C@H](c1ccc(C(=O)[O-])o1)N1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC001609808607 1165089945 /nfs/dbraw/zinc/08/99/45/1165089945.db2.gz 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/nfs/dbraw/zinc/05/71/34/1173057134.db2.gz UJDVVEAOOTWHBD-UHFFFAOYSA-N -1 1 257.301 1.569 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1 ZINC001588387699 1173059150 /nfs/dbraw/zinc/05/91/50/1173059150.db2.gz VQEAFCKXYGFMPG-AXFHLTTASA-N -1 1 284.323 1.265 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1 ZINC001588387699 1173059157 /nfs/dbraw/zinc/05/91/57/1173059157.db2.gz VQEAFCKXYGFMPG-AXFHLTTASA-N -1 1 284.323 1.265 20 0 CDADMM CC(=O)c1ccc(Oc2ncncc2-c2nnn[n-]2)c(C)c1 ZINC001588917732 1173113570 /nfs/dbraw/zinc/11/35/70/1173113570.db2.gz ZKRGJMZJUVPPSR-UHFFFAOYSA-N -1 1 296.290 1.960 20 0 CDADMM CC(=O)c1ccc(Oc2ncncc2-c2nn[n-]n2)c(C)c1 ZINC001588917732 1173113574 /nfs/dbraw/zinc/11/35/74/1173113574.db2.gz ZKRGJMZJUVPPSR-UHFFFAOYSA-N -1 1 296.290 1.960 20 0 CDADMM CC(C)(C)[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589105128 1173125090 /nfs/dbraw/zinc/12/50/90/1173125090.db2.gz PTYKEEBVWLVTBJ-NSHDSACASA-N -1 1 286.339 1.522 20 0 CDADMM CC(C)(C)[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589105128 1173125093 /nfs/dbraw/zinc/12/50/93/1173125093.db2.gz PTYKEEBVWLVTBJ-NSHDSACASA-N -1 1 286.339 1.522 20 0 CDADMM CC(C)(C)OCCNc1cccnc1-c1nnn[n-]1 ZINC001589197933 1173128575 /nfs/dbraw/zinc/12/85/75/1173128575.db2.gz WIWDBZHJEHIQQB-UHFFFAOYSA-N -1 1 262.317 1.489 20 0 CDADMM CC(C)(C)OCCNc1cccnc1-c1nn[n-]n1 ZINC001589197933 1173128577 /nfs/dbraw/zinc/12/85/77/1173128577.db2.gz WIWDBZHJEHIQQB-UHFFFAOYSA-N -1 1 262.317 1.489 20 0 CDADMM CC(C)(/C=C/Cl)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001589264438 1173131509 /nfs/dbraw/zinc/13/15/09/1173131509.db2.gz SVKBOXBMSNLANA-ONEGZZNKSA-N -1 1 265.708 1.600 20 0 CDADMM CC(C)(/C=C/Cl)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001589264438 1173131514 /nfs/dbraw/zinc/13/15/14/1173131514.db2.gz SVKBOXBMSNLANA-ONEGZZNKSA-N -1 1 265.708 1.600 20 0 CDADMM CC(C)=CCNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001589379465 1173142312 /nfs/dbraw/zinc/14/23/12/1173142312.db2.gz OATFOHYROYWAKL-UHFFFAOYSA-N -1 1 263.326 1.624 20 0 CDADMM CC(C)=CCNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001589379465 1173142311 /nfs/dbraw/zinc/14/23/11/1173142311.db2.gz OATFOHYROYWAKL-UHFFFAOYSA-N -1 1 263.326 1.624 20 0 CDADMM CC(C)[C@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589508138 1173154499 /nfs/dbraw/zinc/15/44/99/1173154499.db2.gz WZOGWSCHBIUVSY-QWRGUYRKSA-N -1 1 287.371 1.705 20 0 CDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)Oc1ccccc1 ZINC001589880084 1173193089 /nfs/dbraw/zinc/19/30/89/1173193089.db2.gz XWRMZXYHHZKXFQ-JTQLQIEISA-N -1 1 297.322 1.536 20 0 CDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)Oc1ccccc1 ZINC001589880084 1173193100 /nfs/dbraw/zinc/19/31/00/1173193100.db2.gz XWRMZXYHHZKXFQ-JTQLQIEISA-N -1 1 297.322 1.536 20 0 CDADMM CC1(C)C[C@H]1CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590087863 1173251113 /nfs/dbraw/zinc/25/11/13/1173251113.db2.gz MTKSDTIVKNRGDS-QMMMGPOBSA-N -1 1 289.314 1.782 20 0 CDADMM CC1(C)C[C@H]1CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590087863 1173251119 /nfs/dbraw/zinc/25/11/19/1173251119.db2.gz MTKSDTIVKNRGDS-QMMMGPOBSA-N -1 1 289.314 1.782 20 0 CDADMM CC1(C)CC[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)o2)C1=O ZINC001590090589 1173254590 /nfs/dbraw/zinc/25/45/90/1173254590.db2.gz NYSYGWIWGJCSIB-SSDOTTSWSA-N -1 1 290.279 1.374 20 0 CDADMM CC1(C)CO[C@@H](COC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590111037 1173259648 /nfs/dbraw/zinc/25/96/48/1173259648.db2.gz NBDAPKPTDKYYFM-MRVPVSSYSA-N -1 1 292.295 1.432 20 0 CDADMM CC1(C)SC[C@H]1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590118142 1173262101 /nfs/dbraw/zinc/26/21/01/1173262101.db2.gz PQMKXOODIIKJJR-SSDOTTSWSA-N -1 1 295.393 1.552 20 0 CDADMM CC1(C)SC[C@H]1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590118142 1173262105 /nfs/dbraw/zinc/26/21/05/1173262105.db2.gz PQMKXOODIIKJJR-SSDOTTSWSA-N -1 1 295.393 1.552 20 0 CDADMM C[C@]1(CNc2cccnc2-c2nnn[n-]2)CCOC1 ZINC001590136406 1173270269 /nfs/dbraw/zinc/27/02/69/1173270269.db2.gz VDTBWLMRZLPWLQ-GFCCVEGCSA-N -1 1 260.301 1.100 20 0 CDADMM C[C@]1(CNc2cccnc2-c2nn[n-]n2)CCOC1 ZINC001590136406 1173270273 /nfs/dbraw/zinc/27/02/73/1173270273.db2.gz VDTBWLMRZLPWLQ-GFCCVEGCSA-N -1 1 260.301 1.100 20 0 CDADMM C[C@@H]1C(=O)CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001590162823 1173277268 /nfs/dbraw/zinc/27/72/68/1173277268.db2.gz FALJBYQFIMVOQV-RXMQYKEDSA-N -1 1 298.759 1.534 20 0 CDADMM C[C@@H]1C(=O)CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001590162823 1173277274 /nfs/dbraw/zinc/27/72/74/1173277274.db2.gz FALJBYQFIMVOQV-RXMQYKEDSA-N -1 1 298.759 1.534 20 0 CDADMM C[C@H]1CC2(CCC2)CN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590217513 1173296854 /nfs/dbraw/zinc/29/68/54/1173296854.db2.gz CMIRACPYYVITQJ-JTQLQIEISA-N -1 1 298.350 1.666 20 0 CDADMM C[C@H]1CC2(CCC2)CN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590217513 1173296861 /nfs/dbraw/zinc/29/68/61/1173296861.db2.gz CMIRACPYYVITQJ-JTQLQIEISA-N -1 1 298.350 1.666 20 0 CDADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590220084 1173298544 /nfs/dbraw/zinc/29/85/44/1173298544.db2.gz RFGLMFOTTZINFO-DEKFOEGESA-N -1 1 287.323 1.482 20 0 CDADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590220084 1173298547 /nfs/dbraw/zinc/29/85/47/1173298547.db2.gz RFGLMFOTTZINFO-DEKFOEGESA-N -1 1 287.323 1.482 20 0 CDADMM C[C@@H]1CCc2[n-]n(-c3cccc(-c4nn[nH]n4)c3)c(=O)c21 ZINC001590239610 1173310053 /nfs/dbraw/zinc/31/00/53/1173310053.db2.gz NKBBQKAGPKMLKP-PRHODGIISA-N -1 1 282.307 1.615 20 0 CDADMM C[C@H]1CCc2[n-]n(-c3cccc(-c4nn[nH]n4)c3)c(=O)c21 ZINC001590239612 1173312273 /nfs/dbraw/zinc/31/22/73/1173312273.db2.gz NKBBQKAGPKMLKP-QPUJVOFHSA-N -1 1 282.307 1.615 20 0 CDADMM C[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)c2)[C@H]1C ZINC001590260223 1173324937 /nfs/dbraw/zinc/32/49/37/1173324937.db2.gz GFACCNLRRDDCRA-UWVGGRQHSA-N -1 1 258.329 1.887 20 0 CDADMM C[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)c2)[C@H]1C ZINC001590260223 1173324943 /nfs/dbraw/zinc/32/49/43/1173324943.db2.gz GFACCNLRRDDCRA-UWVGGRQHSA-N -1 1 258.329 1.887 20 0 CDADMM C[C@H]1CCCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590261850 1173326861 /nfs/dbraw/zinc/32/68/61/1173326861.db2.gz SLWKSRRTRNCCGP-JTQLQIEISA-N -1 1 286.339 1.524 20 0 CDADMM C[C@H]1CCCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590261850 1173326870 /nfs/dbraw/zinc/32/68/70/1173326870.db2.gz SLWKSRRTRNCCGP-JTQLQIEISA-N -1 1 286.339 1.524 20 0 CDADMM C[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)[C@@H]1CCO ZINC001590262629 1173328137 /nfs/dbraw/zinc/32/81/37/1173328137.db2.gz WYRKUTKPCZHJRT-CMPLNLGQSA-N -1 1 288.355 1.249 20 0 CDADMM C[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)[C@@H]1CCO ZINC001590262629 1173328142 /nfs/dbraw/zinc/32/81/42/1173328142.db2.gz WYRKUTKPCZHJRT-CMPLNLGQSA-N -1 1 288.355 1.249 20 0 CDADMM C[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)[C@H]1CCO ZINC001590262630 1173329348 /nfs/dbraw/zinc/32/93/48/1173329348.db2.gz WYRKUTKPCZHJRT-JQWIXIFHSA-N -1 1 288.355 1.249 20 0 CDADMM C[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)[C@H]1CCO ZINC001590262630 1173329357 /nfs/dbraw/zinc/32/93/57/1173329357.db2.gz WYRKUTKPCZHJRT-JQWIXIFHSA-N -1 1 288.355 1.249 20 0 CDADMM C[C@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)CC[C@@H]1C ZINC001590269923 1173331306 /nfs/dbraw/zinc/33/13/06/1173331306.db2.gz IHBTXCCKLXRFJU-UWVGGRQHSA-N -1 1 286.339 1.380 20 0 CDADMM C[C@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)CC[C@@H]1C ZINC001590269923 1173331312 /nfs/dbraw/zinc/33/13/12/1173331312.db2.gz IHBTXCCKLXRFJU-UWVGGRQHSA-N -1 1 286.339 1.380 20 0 CDADMM C[C@H]1c2ccsc2CCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001590340072 1173368361 /nfs/dbraw/zinc/36/83/61/1173368361.db2.gz ZPXSZVZSWXDFEE-QMMMGPOBSA-N -1 1 299.363 1.842 20 0 CDADMM C[C@H]1c2ccsc2CCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001590340072 1173368364 /nfs/dbraw/zinc/36/83/64/1173368364.db2.gz ZPXSZVZSWXDFEE-QMMMGPOBSA-N -1 1 299.363 1.842 20 0 CDADMM CC[C@@](C)(OC)c1noc(-c2coc(-c3nnn[n-]3)c2)n1 ZINC001590385391 1173387555 /nfs/dbraw/zinc/38/75/55/1173387555.db2.gz QCYHRWVPXXRKBK-GFCCVEGCSA-N -1 1 290.283 1.781 20 0 CDADMM CC[C@@](C)(OC)c1noc(-c2coc(-c3nn[n-]n3)c2)n1 ZINC001590385391 1173387560 /nfs/dbraw/zinc/38/75/60/1173387560.db2.gz QCYHRWVPXXRKBK-GFCCVEGCSA-N -1 1 290.283 1.781 20 0 CDADMM CC[C@@H](C)CONC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590411428 1173398559 /nfs/dbraw/zinc/39/85/59/1173398559.db2.gz XYPLQTHBLRKGBN-SSDOTTSWSA-N -1 1 281.341 1.636 20 0 CDADMM CC[C@@H](C)CONC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590411428 1173398564 /nfs/dbraw/zinc/39/85/64/1173398564.db2.gz XYPLQTHBLRKGBN-SSDOTTSWSA-N -1 1 281.341 1.636 20 0 CDADMM CC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H]1C ZINC001590514237 1173442511 /nfs/dbraw/zinc/44/25/11/1173442511.db2.gz GOFGWUGBZLPUFS-ZJUUUORDSA-N -1 1 286.339 1.522 20 0 CDADMM CC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]1C ZINC001590514237 1173442517 /nfs/dbraw/zinc/44/25/17/1173442517.db2.gz GOFGWUGBZLPUFS-ZJUUUORDSA-N -1 1 286.339 1.522 20 0 CDADMM CC[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001590512260 1173443131 /nfs/dbraw/zinc/44/31/31/1173443131.db2.gz FESMBQWVXPDNKH-SECBINFHSA-N -1 1 275.312 1.722 20 0 CDADMM CC[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590512260 1173443136 /nfs/dbraw/zinc/44/31/36/1173443136.db2.gz FESMBQWVXPDNKH-SECBINFHSA-N -1 1 275.312 1.722 20 0 CDADMM CCC[C@@H]([NH2+]Cc1csc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001590652299 1173483684 /nfs/dbraw/zinc/48/36/84/1173483684.db2.gz KFTRXGCXPNLIAE-MRVPVSSYSA-N -1 1 281.341 1.271 20 0 CDADMM CCNc1cc(CNc2ccnc(-c3nn[n-]n3)c2)ccn1 ZINC001590746178 1173505196 /nfs/dbraw/zinc/50/51/96/1173505196.db2.gz KDFKCQVJOQIIQU-UHFFFAOYSA-N -1 1 296.338 1.123 20 0 CDADMM CCOC1CC(CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001590787100 1173510503 /nfs/dbraw/zinc/51/05/03/1173510503.db2.gz MBEZRRXFNZPHQC-UHFFFAOYSA-N -1 1 289.343 1.274 20 0 CDADMM CCOC1CC(CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001590787100 1173510507 /nfs/dbraw/zinc/51/05/07/1173510507.db2.gz MBEZRRXFNZPHQC-UHFFFAOYSA-N -1 1 289.343 1.274 20 0 CDADMM CCONC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590820066 1173522676 /nfs/dbraw/zinc/52/26/76/1173522676.db2.gz YAUDJFFYPAKEFR-UHFFFAOYSA-N -1 1 289.708 1.050 20 0 CDADMM CC[C@@H]1C[C@H]1CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590860417 1173530794 /nfs/dbraw/zinc/53/07/94/1173530794.db2.gz SKSKWXJTUXBCKZ-BDAKNGLRSA-N -1 1 287.327 1.429 20 0 CDADMM CC[C@@H]1C[C@H]1CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590860417 1173530801 /nfs/dbraw/zinc/53/08/01/1173530801.db2.gz SKSKWXJTUXBCKZ-BDAKNGLRSA-N -1 1 287.327 1.429 20 0 CDADMM CCc1ccc(Cn2cc(-c3nn[n-]n3)nn2)cc1 ZINC001590890034 1173537288 /nfs/dbraw/zinc/53/72/88/1173537288.db2.gz IUCNHNFSQDNEEG-UHFFFAOYSA-N -1 1 255.285 1.069 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)CC2CCCC2)n1 ZINC001590904076 1173538579 /nfs/dbraw/zinc/53/85/79/1173538579.db2.gz JYXOQABHSGPSGG-UHFFFAOYSA-N -1 1 287.371 1.846 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)CC2CCCC2)n1 ZINC001590904076 1173538582 /nfs/dbraw/zinc/53/85/82/1173538582.db2.gz JYXOQABHSGPSGG-UHFFFAOYSA-N -1 1 287.371 1.846 20 0 CDADMM CCc1coc(NC(=O)c2ccsc2-c2nnn[n-]2)n1 ZINC001590902188 1173539108 /nfs/dbraw/zinc/53/91/08/1173539108.db2.gz XSSFDKRCKMEVCL-UHFFFAOYSA-N -1 1 290.308 1.731 20 0 CDADMM CCc1coc(NC(=O)c2ccsc2-c2nn[n-]n2)n1 ZINC001590902188 1173539114 /nfs/dbraw/zinc/53/91/14/1173539114.db2.gz XSSFDKRCKMEVCL-UHFFFAOYSA-N -1 1 290.308 1.731 20 0 CDADMM COC(=O)[C@H](NCc1ccc(-c2nn[n-]n2)s1)C(C)C ZINC001591235407 1173596682 /nfs/dbraw/zinc/59/66/82/1173596682.db2.gz SGNZIHWJIKSKFY-SNVBAGLBSA-N -1 1 295.368 1.215 20 0 CDADMM COC(C)(C)CCn1cc(C)cc(-c2nn[n-]n2)c1=O ZINC001591316426 1173602635 /nfs/dbraw/zinc/60/26/35/1173602635.db2.gz JCDYFXKCQAVLFJ-UHFFFAOYSA-N -1 1 277.328 1.152 20 0 CDADMM CO[C@@](C)([C@@H](C)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001591317731 1173604723 /nfs/dbraw/zinc/60/47/23/1173604723.db2.gz HFELSRDBILURFW-OTYXRUKQSA-N -1 1 288.355 1.877 20 0 CDADMM CO[C@@](C)([C@@H](C)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001591317731 1173604727 /nfs/dbraw/zinc/60/47/27/1173604727.db2.gz HFELSRDBILURFW-OTYXRUKQSA-N -1 1 288.355 1.877 20 0 CDADMM CO[C@@H](C)COC(=O)c1ccsc1-c1nnn[n-]1 ZINC001591322878 1173609429 /nfs/dbraw/zinc/60/94/29/1173609429.db2.gz DZJGSBYUUJKKRK-LURJTMIESA-N -1 1 268.298 1.120 20 0 CDADMM CO[C@@H](C)COC(=O)c1ccsc1-c1nn[n-]n1 ZINC001591322878 1173609434 /nfs/dbraw/zinc/60/94/34/1173609434.db2.gz DZJGSBYUUJKKRK-LURJTMIESA-N -1 1 268.298 1.120 20 0 CDADMM COC[C@@H](Cn1cc(C)cc(-c2nn[n-]n2)c1=O)C(C)C ZINC001591380020 1173638692 /nfs/dbraw/zinc/63/86/92/1173638692.db2.gz XBVILSQJFMOAJL-LLVKDONJSA-N -1 1 291.355 1.255 20 0 CDADMM COC[C@H]1CCN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591393652 1173641113 /nfs/dbraw/zinc/64/11/13/1173641113.db2.gz GGJORTGDNKCADE-RXMQYKEDSA-N -1 1 286.748 1.202 20 0 CDADMM COCC1CCC(Nc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001591392247 1173641543 /nfs/dbraw/zinc/64/15/43/1173641543.db2.gz KVXCUWNMCVZJEY-UHFFFAOYSA-N -1 1 288.355 1.301 20 0 CDADMM COCC1CCC(Nc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001591392247 1173641545 /nfs/dbraw/zinc/64/15/45/1173641545.db2.gz KVXCUWNMCVZJEY-UHFFFAOYSA-N -1 1 288.355 1.301 20 0 CDADMM COC[C@H]1CCCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001591392343 1173642902 /nfs/dbraw/zinc/64/29/02/1173642902.db2.gz IJAOSGKRRYRYFF-LLVKDONJSA-N -1 1 274.328 1.267 20 0 CDADMM COC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001591392343 1173642904 /nfs/dbraw/zinc/64/29/04/1173642904.db2.gz IJAOSGKRRYRYFF-LLVKDONJSA-N -1 1 274.328 1.267 20 0 CDADMM COc1cccc(CNc2ccnc(-c3nn[n-]n3)n2)c1C ZINC001591639362 1173677446 /nfs/dbraw/zinc/67/74/46/1173677446.db2.gz HTMVVTZIUJZDCW-UHFFFAOYSA-N -1 1 297.322 1.008 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C)CCC[C@H]2C)n1 ZINC001591883756 1173736250 /nfs/dbraw/zinc/73/62/50/1173736250.db2.gz FBQQVUFCTFXCBW-MWLCHTKSSA-N -1 1 287.371 1.980 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](C)CCC[C@H]2C)n1 ZINC001591883756 1173736255 /nfs/dbraw/zinc/73/62/55/1173736255.db2.gz FBQQVUFCTFXCBW-MWLCHTKSSA-N -1 1 287.371 1.980 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)CC(C)C)n1 ZINC001591890439 1173739029 /nfs/dbraw/zinc/73/90/29/1173739029.db2.gz FSJUPDZUWSEZKN-QMMMGPOBSA-N -1 1 261.333 1.812 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)CC(C)C)n1 ZINC001591890439 1173739035 /nfs/dbraw/zinc/73/90/35/1173739035.db2.gz FSJUPDZUWSEZKN-QMMMGPOBSA-N -1 1 261.333 1.812 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCC23CC3)n1 ZINC001591892746 1173741118 /nfs/dbraw/zinc/74/11/18/1173741118.db2.gz LBUGVUQZFXECGB-SNVBAGLBSA-N -1 1 271.328 1.710 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCC23CC3)n1 ZINC001591892746 1173741120 /nfs/dbraw/zinc/74/11/20/1173741120.db2.gz LBUGVUQZFXECGB-SNVBAGLBSA-N -1 1 271.328 1.710 20 0 CDADMM Cc1cc(N2CCC(C)CC2)cc(-c2nnn[n-]2)n1 ZINC001591999467 1173767510 /nfs/dbraw/zinc/76/75/10/1173767510.db2.gz HNPWMUIBRABKCZ-UHFFFAOYSA-N -1 1 258.329 1.806 20 0 CDADMM Cc1cc(N2CCC(C)CC2)cc(-c2nn[n-]n2)n1 ZINC001591999467 1173767516 /nfs/dbraw/zinc/76/75/16/1173767516.db2.gz HNPWMUIBRABKCZ-UHFFFAOYSA-N -1 1 258.329 1.806 20 0 CDADMM Cc1cc(N2CC[C@H](CF)C2)cc(-c2nnn[n-]2)n1 ZINC001592000818 1173769109 /nfs/dbraw/zinc/76/91/09/1173769109.db2.gz GWHGIBPKTMMGIL-SECBINFHSA-N -1 1 262.292 1.366 20 0 CDADMM Cc1cc(N2CC[C@H](CF)C2)cc(-c2nn[n-]n2)n1 ZINC001592000818 1173769114 /nfs/dbraw/zinc/76/91/14/1173769114.db2.gz GWHGIBPKTMMGIL-SECBINFHSA-N -1 1 262.292 1.366 20 0 CDADMM Cc1cc(NC[C@@H](C)CCCO)cc(-c2nnn[n-]2)n1 ZINC001592038174 1173781002 /nfs/dbraw/zinc/78/10/02/1173781002.db2.gz FSYKGSPONIMPJZ-VIFPVBQESA-N -1 1 276.344 1.391 20 0 CDADMM Cc1cc(NC[C@@H](C)CCCO)cc(-c2nn[n-]n2)n1 ZINC001592038174 1173781006 /nfs/dbraw/zinc/78/10/06/1173781006.db2.gz FSYKGSPONIMPJZ-VIFPVBQESA-N -1 1 276.344 1.391 20 0 CDADMM Cc1cc(NC[C@@H]2CCO[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001592045033 1173785020 /nfs/dbraw/zinc/78/50/20/1173785020.db2.gz MONLMCUWFUMBQQ-GHMZBOCLSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(NC[C@@H]2CCO[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001592045033 1173785023 /nfs/dbraw/zinc/78/50/23/1173785023.db2.gz MONLMCUWFUMBQQ-GHMZBOCLSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(CN(C)C(=O)c2ccnc(-c3nnn[n-]3)c2)o1 ZINC001592151857 1173812380 /nfs/dbraw/zinc/81/23/80/1173812380.db2.gz YRGIQDBVYAIMBG-UHFFFAOYSA-N -1 1 298.306 1.435 20 0 CDADMM Cc1ccc(CN(C)C(=O)c2ccnc(-c3nn[n-]n3)c2)o1 ZINC001592151857 1173812386 /nfs/dbraw/zinc/81/23/86/1173812386.db2.gz YRGIQDBVYAIMBG-UHFFFAOYSA-N -1 1 298.306 1.435 20 0 CDADMM Cc1ccc(N2CCOC[C@@H](C)C2)nc1-c1nnn[n-]1 ZINC001592176896 1173822203 /nfs/dbraw/zinc/82/22/03/1173822203.db2.gz YYHAPLVFKUFPLV-VIFPVBQESA-N -1 1 274.328 1.043 20 0 CDADMM Cc1ccc(N2CCOC[C@@H](C)C2)nc1-c1nn[n-]n1 ZINC001592176896 1173822210 /nfs/dbraw/zinc/82/22/10/1173822210.db2.gz YYHAPLVFKUFPLV-VIFPVBQESA-N -1 1 274.328 1.043 20 0 CDADMM Cc1ccc(N(C)CCCOC(C)C)nc1-c1nnn[n-]1 ZINC001592176102 1173822881 /nfs/dbraw/zinc/82/28/81/1173822881.db2.gz VWFMVNJIMFXVMQ-UHFFFAOYSA-N -1 1 290.371 1.821 20 0 CDADMM Cc1ccc(N(C)CCCOC(C)C)nc1-c1nn[n-]n1 ZINC001592176102 1173822887 /nfs/dbraw/zinc/82/28/87/1173822887.db2.gz VWFMVNJIMFXVMQ-UHFFFAOYSA-N -1 1 290.371 1.821 20 0 CDADMM Cc1ccc(NC2C[C@H](C)O[C@@H](C)C2)nc1-c1nnn[n-]1 ZINC001592183184 1173826290 /nfs/dbraw/zinc/82/62/90/1173826290.db2.gz AGJPDESIZFAYSK-UWVGGRQHSA-N -1 1 288.355 1.938 20 0 CDADMM Cc1ccc(NC2C[C@H](C)O[C@@H](C)C2)nc1-c1nn[n-]n1 ZINC001592183184 1173826294 /nfs/dbraw/zinc/82/62/94/1173826294.db2.gz AGJPDESIZFAYSK-UWVGGRQHSA-N -1 1 288.355 1.938 20 0 CDADMM Cc1ccc(NCCC2(O)CCC2)c(-c2nnn[n-]2)n1 ZINC001592182895 1173826613 /nfs/dbraw/zinc/82/66/13/1173826613.db2.gz DDYBVCGKARQGGY-UHFFFAOYSA-N -1 1 274.328 1.287 20 0 CDADMM Cc1ccc(NCCC2(O)CCC2)c(-c2nn[n-]n2)n1 ZINC001592182895 1173826618 /nfs/dbraw/zinc/82/66/18/1173826618.db2.gz DDYBVCGKARQGGY-UHFFFAOYSA-N -1 1 274.328 1.287 20 0 CDADMM Cc1ccc(O)c(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001592186946 1173831665 /nfs/dbraw/zinc/83/16/65/1173831665.db2.gz ZDOCWHCVEVLAMP-UHFFFAOYSA-N -1 1 285.263 1.726 20 0 CDADMM Cc1ccc(Nc2ncncc2-c2nn[n-]n2)cc1 ZINC001592186099 1173831868 /nfs/dbraw/zinc/83/18/68/1173831868.db2.gz LALUVWDEDJAMCZ-UHFFFAOYSA-N -1 1 253.269 1.709 20 0 CDADMM Cc1[nH]nc(NC(=O)c2cccc(C)c2)c1-c1nn[n-]n1 ZINC001592221100 1173832518 /nfs/dbraw/zinc/83/25/18/1173832518.db2.gz LJGZKHQZVDVFQU-UHFFFAOYSA-N -1 1 283.295 1.459 20 0 CDADMM Cc1cccc(F)c1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001592232885 1173834933 /nfs/dbraw/zinc/83/49/33/1173834933.db2.gz RCKVTRVDPIZRPG-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1cccc(F)c1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001592232885 1173834939 /nfs/dbraw/zinc/83/49/39/1173834939.db2.gz RCKVTRVDPIZRPG-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1ccn(CCCCCCCO)c(=O)c1-c1nn[n-]n1 ZINC001592266156 1173839596 /nfs/dbraw/zinc/83/95/96/1173839596.db2.gz OKEAVBSCJZSOMB-UHFFFAOYSA-N -1 1 291.355 1.280 20 0 CDADMM Cc1ccncc1[C@H](C)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001592277793 1173843332 /nfs/dbraw/zinc/84/33/32/1173843332.db2.gz ZUTSTHHTGDUGND-VIFPVBQESA-N -1 1 282.311 1.533 20 0 CDADMM Cc1ccncc1[C@H](C)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001592277793 1173843335 /nfs/dbraw/zinc/84/33/35/1173843335.db2.gz ZUTSTHHTGDUGND-VIFPVBQESA-N -1 1 282.311 1.533 20 0 CDADMM Cc1cnn([C@@H]2CCN(c3cccc(-c4nnn[n-]4)n3)C2)c1 ZINC001592302832 1173852517 /nfs/dbraw/zinc/85/25/17/1173852517.db2.gz QPRPUACPHPFUIQ-LLVKDONJSA-N -1 1 296.338 1.218 20 0 CDADMM Cc1cnn([C@@H]2CCN(c3cccc(-c4nn[n-]n4)n3)C2)c1 ZINC001592302832 1173852520 /nfs/dbraw/zinc/85/25/20/1173852520.db2.gz QPRPUACPHPFUIQ-LLVKDONJSA-N -1 1 296.338 1.218 20 0 CDADMM Cc1ncsc1CNc1n[nH]c(C)c1-c1nnn[n-]1 ZINC001592426035 1173888045 /nfs/dbraw/zinc/88/80/45/1173888045.db2.gz OMAVZEVEHIGGRT-UHFFFAOYSA-N -1 1 276.329 1.275 20 0 CDADMM Cc1ncsc1CNc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001592426035 1173888048 /nfs/dbraw/zinc/88/80/48/1173888048.db2.gz OMAVZEVEHIGGRT-UHFFFAOYSA-N -1 1 276.329 1.275 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCO[C@@H](C)[C@H]1C ZINC001592499184 1173904246 /nfs/dbraw/zinc/90/42/46/1173904246.db2.gz IQQNEWSMWCRRAJ-SFYZADRCSA-N -1 1 291.311 1.018 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCO[C@@H](C)[C@H]1C ZINC001592499184 1173904252 /nfs/dbraw/zinc/90/42/52/1173904252.db2.gz IQQNEWSMWCRRAJ-SFYZADRCSA-N -1 1 291.311 1.018 20 0 CDADMM Clc1cccc(-c2nn[nH]n2)c1SCc1nn[n-]n1 ZINC001592535123 1173914128 /nfs/dbraw/zinc/91/41/28/1173914128.db2.gz ZXDFKVQLQRCUDK-UHFFFAOYSA-N -1 1 294.731 1.326 20 0 CDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccoc2C2CC2)n1 ZINC001592559849 1173917165 /nfs/dbraw/zinc/91/71/65/1173917165.db2.gz GVULABFQLWFSRK-UHFFFAOYSA-N -1 1 299.294 1.323 20 0 CDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccoc2C2CC2)n1 ZINC001592559849 1173917183 /nfs/dbraw/zinc/91/71/83/1173917183.db2.gz GVULABFQLWFSRK-UHFFFAOYSA-N -1 1 299.294 1.323 20 0 CDADMM Clc1sccc1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001592543037 1173919232 /nfs/dbraw/zinc/91/92/32/1173919232.db2.gz KVNDUPLUGPNGAY-UHFFFAOYSA-N -1 1 281.732 1.917 20 0 CDADMM Clc1sccc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001592543037 1173919236 /nfs/dbraw/zinc/91/92/36/1173919236.db2.gz KVNDUPLUGPNGAY-UHFFFAOYSA-N -1 1 281.732 1.917 20 0 CDADMM Cn1nccc1COC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001592607490 1173926950 /nfs/dbraw/zinc/92/69/50/1173926950.db2.gz HFBMDVXEQFYTGP-UHFFFAOYSA-N -1 1 290.308 1.019 20 0 CDADMM Cn1nccc1COC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001592607490 1173926955 /nfs/dbraw/zinc/92/69/55/1173926955.db2.gz HFBMDVXEQFYTGP-UHFFFAOYSA-N -1 1 290.308 1.019 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C=Cc1cccc(F)c1 ZINC001592754869 1173986052 /nfs/dbraw/zinc/98/60/52/1173986052.db2.gz UYDJIUBSJVYQER-PLNGDYQASA-N -1 1 299.269 1.138 20 0 CDADMM O=C(NCCCF)c1ccsc1-c1nn[n-]n1 ZINC001593073923 1174022377 /nfs/dbraw/zinc/02/23/77/1174022377.db2.gz ZAESDAGICICCLI-UHFFFAOYSA-N -1 1 255.278 1.018 20 0 CDADMM O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccnc(-c2nnn[n-]2)c1 ZINC001593032073 1174016111 /nfs/dbraw/zinc/01/61/11/1174016111.db2.gz MGXNNOFLWBCOKK-USWWRNFRSA-N -1 1 298.350 1.428 20 0 CDADMM O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccnc(-c2nn[n-]n2)c1 ZINC001593032073 1174016118 /nfs/dbraw/zinc/01/61/18/1174016118.db2.gz MGXNNOFLWBCOKK-USWWRNFRSA-N -1 1 298.350 1.428 20 0 CDADMM O=C(NCCCF)c1ccsc1-c1nnn[n-]1 ZINC001593073923 1174022369 /nfs/dbraw/zinc/02/23/69/1174022369.db2.gz ZAESDAGICICCLI-UHFFFAOYSA-N -1 1 255.278 1.018 20 0 CDADMM O=C(NCc1cccc(F)c1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593143976 1174025727 /nfs/dbraw/zinc/02/57/27/1174025727.db2.gz AJIFDXUQVHHNAI-UHFFFAOYSA-N -1 1 298.281 1.331 20 0 CDADMM O=C(NCc1cccc(F)c1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593143976 1174025736 /nfs/dbraw/zinc/02/57/36/1174025736.db2.gz AJIFDXUQVHHNAI-UHFFFAOYSA-N -1 1 298.281 1.331 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1CCCC(F)(F)C1 ZINC001593198061 1174030872 /nfs/dbraw/zinc/03/08/72/1174030872.db2.gz UTXNWIOMQVMSTJ-ZCFIWIBFSA-N -1 1 297.269 1.354 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1CCCC(F)(F)C1 ZINC001593198061 1174030881 /nfs/dbraw/zinc/03/08/81/1174030881.db2.gz UTXNWIOMQVMSTJ-ZCFIWIBFSA-N -1 1 297.269 1.354 20 0 CDADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@@H]1CC1(F)F ZINC001593195474 1174030998 /nfs/dbraw/zinc/03/09/98/1174030998.db2.gz DPMRZGYGEHYAQF-YFKPBYRVSA-N -1 1 295.253 1.061 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)C12CCC(CC1)CC2 ZINC001593197859 1174032865 /nfs/dbraw/zinc/03/28/65/1174032865.db2.gz PFLNTKRVOYSOSG-UHFFFAOYSA-N -1 1 287.327 1.499 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)C12CCC(CC1)CC2 ZINC001593197859 1174032870 /nfs/dbraw/zinc/03/28/70/1174032870.db2.gz PFLNTKRVOYSOSG-UHFFFAOYSA-N -1 1 287.327 1.499 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1ncccc1F ZINC001593245466 1174040826 /nfs/dbraw/zinc/04/08/26/1174040826.db2.gz OFLHBETZLOKDBN-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1ncccc1F ZINC001593245466 1174040832 /nfs/dbraw/zinc/04/08/32/1174040832.db2.gz OFLHBETZLOKDBN-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(OCC1CCOCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001593286795 1174055673 /nfs/dbraw/zinc/05/56/73/1174055673.db2.gz OJXHLBSPXPKMHV-UHFFFAOYSA-N -1 1 278.268 1.043 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC2CCC1CC2 ZINC001593348247 1174069005 /nfs/dbraw/zinc/06/90/05/1174069005.db2.gz RGMBHKHXTBSHBG-UHFFFAOYSA-N -1 1 284.323 1.276 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC2CCC1CC2 ZINC001593348247 1174069010 /nfs/dbraw/zinc/06/90/10/1174069010.db2.gz RGMBHKHXTBSHBG-UHFFFAOYSA-N -1 1 284.323 1.276 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC2(CCC2)C1 ZINC001593366814 1174070272 /nfs/dbraw/zinc/07/02/72/1174070272.db2.gz CAPZGKWPGHIOIO-UHFFFAOYSA-N -1 1 273.296 1.476 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC2(CCC2)C1 ZINC001593366814 1174070279 /nfs/dbraw/zinc/07/02/79/1174070279.db2.gz CAPZGKWPGHIOIO-UHFFFAOYSA-N -1 1 273.296 1.476 20 0 CDADMM O=C(c1ccsc1-c1nnn[n-]1)N1C2CCC1CC2 ZINC001593361012 1174070631 /nfs/dbraw/zinc/07/06/31/1174070631.db2.gz QEBXVCNWFJGBMZ-UHFFFAOYSA-N -1 1 275.337 1.695 20 0 CDADMM O=C(c1ccsc1-c1nn[n-]n1)N1C2CCC1CC2 ZINC001593361012 1174070634 /nfs/dbraw/zinc/07/06/34/1174070634.db2.gz QEBXVCNWFJGBMZ-UHFFFAOYSA-N -1 1 275.337 1.695 20 0 CDADMM OC[C@@H](CC1CCCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593520692 1174099188 /nfs/dbraw/zinc/09/91/88/1174099188.db2.gz GSXXSTGKPASLBY-LLVKDONJSA-N -1 1 288.355 1.615 20 0 CDADMM OC[C@@H](CC1CCCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593520692 1174099194 /nfs/dbraw/zinc/09/91/94/1174099194.db2.gz GSXXSTGKPASLBY-LLVKDONJSA-N -1 1 288.355 1.615 20 0 CDADMM O[C@H](CNc1cccnc1-c1nnn[n-]1)Cc1ccccc1 ZINC001593538421 1174109282 /nfs/dbraw/zinc/10/92/82/1174109282.db2.gz MUVDHYUUHZPIJV-LBPRGKRZSA-N -1 1 296.334 1.277 20 0 CDADMM O[C@H](CNc1cccnc1-c1nn[n-]n1)Cc1ccccc1 ZINC001593538421 1174109286 /nfs/dbraw/zinc/10/92/86/1174109286.db2.gz MUVDHYUUHZPIJV-LBPRGKRZSA-N -1 1 296.334 1.277 20 0 CDADMM c1cc(-c2nnn[n-]2)ncc1-c1nc(C2CSC2)no1 ZINC001593552263 1174127014 /nfs/dbraw/zinc/12/70/14/1174127014.db2.gz YABBAVQUJPLLLD-UHFFFAOYSA-N -1 1 287.308 1.142 20 0 CDADMM c1cc(-c2nn[n-]n2)ncc1-c1nc(C2CSC2)no1 ZINC001593552263 1174127015 /nfs/dbraw/zinc/12/70/15/1174127015.db2.gz YABBAVQUJPLLLD-UHFFFAOYSA-N -1 1 287.308 1.142 20 0 CDADMM c1cc(Sc2nc3c([nH]2)CCC3)nc(-c2nnn[n-]2)c1 ZINC001593563165 1174138026 /nfs/dbraw/zinc/13/80/26/1174138026.db2.gz ZFMOQFQUYVPINP-UHFFFAOYSA-N -1 1 285.336 1.625 20 0 CDADMM c1cc(Sc2nc3c([nH]2)CCC3)nc(-c2nn[n-]n2)c1 ZINC001593563165 1174138032 /nfs/dbraw/zinc/13/80/32/1174138032.db2.gz ZFMOQFQUYVPINP-UHFFFAOYSA-N -1 1 285.336 1.625 20 0 CDADMM c1cc(COc2cnc(-c3nn[n-]n3)nc2)cc2c1CCC2 ZINC001593564478 1174138195 /nfs/dbraw/zinc/13/81/95/1174138195.db2.gz GOETUSIGMSNHQH-UHFFFAOYSA-N -1 1 294.318 1.724 20 0 CDADMM c1ccc(-c2noc(-c3ccnc(-c4nnn[n-]4)c3)n2)nc1 ZINC001593569578 1174142239 /nfs/dbraw/zinc/14/22/39/1174142239.db2.gz OCEBZUGUJSNDNL-UHFFFAOYSA-N -1 1 292.262 1.374 20 0 CDADMM c1ccc(-c2noc(-c3ccnc(-c4nn[n-]n4)c3)n2)nc1 ZINC001593569578 1174142241 /nfs/dbraw/zinc/14/22/41/1174142241.db2.gz OCEBZUGUJSNDNL-UHFFFAOYSA-N -1 1 292.262 1.374 20 0 CDADMM c1ccc(CCCNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001593572286 1174142393 /nfs/dbraw/zinc/14/23/93/1174142393.db2.gz XGHJFAJEWOGBEU-UHFFFAOYSA-N -1 1 281.323 1.701 20 0 CDADMM c1ccc(CCCNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001593572286 1174142395 /nfs/dbraw/zinc/14/23/95/1174142395.db2.gz XGHJFAJEWOGBEU-UHFFFAOYSA-N -1 1 281.323 1.701 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(N[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC001593594624 1174162266 /nfs/dbraw/zinc/16/22/66/1174162266.db2.gz DGYWUFDGEDFVSA-KHQFGBGNSA-N -1 1 257.301 1.257 20 0 CDADMM Cc1c(NC(=O)Cc2nc[nH]n2)ccc(F)c1C(=O)[O-] ZINC001600033933 1174344176 /nfs/dbraw/zinc/34/41/76/1174344176.db2.gz FGCIRQYMDPKMMO-UHFFFAOYSA-N -1 1 278.243 1.132 20 0 CDADMM Cc1c(NC(=O)c2ccc(F)cc2O)cnn1CC(=O)[O-] ZINC001600047615 1174347432 /nfs/dbraw/zinc/34/74/32/1174347432.db2.gz TUWCKIVEKALKTE-UHFFFAOYSA-N -1 1 293.254 1.373 20 0 CDADMM Cc1cc([C@H](C)N2CCN(C)[C@H](C)C2)oc1C(=O)[O-] ZINC001600152354 1174382075 /nfs/dbraw/zinc/38/20/75/1174382075.db2.gz WYTGIJNJHFWQAH-MNOVXSKESA-N -1 1 266.341 1.983 20 0 CDADMM Cc1cnc(=S)n(CN2CC[C@@H](C(=O)[O-])[C@@H]2C)c1 ZINC001600616213 1174530233 /nfs/dbraw/zinc/53/02/33/1174530233.db2.gz CSJVQYLGYFQYPA-VHSXEESVSA-N -1 1 267.354 1.674 20 0 CDADMM Cc1cnc(Cl)c(CN[C@@]2(CC(=O)[O-])CCOC2)c1 ZINC001600622082 1174535723 /nfs/dbraw/zinc/53/57/23/1174535723.db2.gz GVRWSNRMCKCDTL-CYBMUJFWSA-N -1 1 284.743 1.767 20 0 CDADMM Cc1nc2ccc(NC(=O)c3cc(C(=O)[O-])no3)cc2[nH]1 ZINC001600725187 1174580325 /nfs/dbraw/zinc/58/03/25/1174580325.db2.gz AWSNKHJYOJOGNH-UHFFFAOYSA-N -1 1 286.247 1.810 20 0 CDADMM Cc1oc(C(=O)[O-])cc1CN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC001600828807 1174634726 /nfs/dbraw/zinc/63/47/26/1174634726.db2.gz GCYLATJDHWXYRR-GAFUQQFSSA-N -1 1 292.335 1.372 20 0 CDADMM Cn1cc(C(F)F)c(CNC[C@H]2[C@@H](C(=O)[O-])C2(F)F)n1 ZINC001600937517 1174670397 /nfs/dbraw/zinc/67/03/97/1174670397.db2.gz CYZRYOZRELBICF-XPUUQOCRSA-N -1 1 295.236 1.413 20 0 CDADMM Cn1cc(NC(=O)c2ccc3cncn3c2)cc1C(=O)[O-] ZINC001600966213 1174684237 /nfs/dbraw/zinc/68/42/37/1174684237.db2.gz MQULGRZUBDJYOC-UHFFFAOYSA-N -1 1 284.275 1.623 20 0 CDADMM NC(=O)C1(NCc2cccc(C(=O)[O-])n2)CCCCC1 ZINC001601139629 1174760915 /nfs/dbraw/zinc/76/09/15/1174760915.db2.gz WEXVOYFMDAWEAI-UHFFFAOYSA-N -1 1 277.324 1.058 20 0 CDADMM N[C@@H](c1cn(CCCCC(=O)[O-])nn1)c1ccc(F)cc1 ZINC001601175595 1174771959 /nfs/dbraw/zinc/77/19/59/1174771959.db2.gz FWTUHDVCYWYDGZ-CQSZACIVSA-N -1 1 292.314 1.720 20 0 CDADMM Nc1cnc(CN2CCc3ccccc3[C@H]2C(=O)[O-])cn1 ZINC001601218471 1174795427 /nfs/dbraw/zinc/79/54/27/1174795427.db2.gz LIPSQGZTNWTDLZ-AWEZNQCLSA-N -1 1 284.319 1.243 20 0 CDADMM Nc1nc2c(c(N3CCC[C@H]3CC(=O)[O-])n1)CCCC2 ZINC001601219565 1174795901 /nfs/dbraw/zinc/79/59/01/1174795901.db2.gz FCJRYVLWFRKPSU-VIFPVBQESA-N -1 1 276.340 1.381 20 0 CDADMM O=C([O-])c1cccc(NC(=O)CCN2CC[C@H](F)C2)c1 ZINC001601274624 1174820934 /nfs/dbraw/zinc/82/09/34/1174820934.db2.gz IXMMBDQTMRHICZ-NSHDSACASA-N -1 1 280.299 1.757 20 0 CDADMM O=C([O-])C(F)(F)CNS(=O)(=O)CCC1CCCCC1 ZINC001601661594 1174933718 /nfs/dbraw/zinc/93/37/18/1174933718.db2.gz AUESPSOQGHXDHV-UHFFFAOYSA-N -1 1 299.339 1.596 20 0 CDADMM O=C([O-])[C@H]1[C@@H](CN2CCc3c(O)cccc3C2)C1(F)F ZINC001601747286 1174980873 /nfs/dbraw/zinc/98/08/73/1174980873.db2.gz CDMMHBKUWKMCME-ZYHUDNBSSA-N -1 1 283.274 1.716 20 0 CDADMM O=C([O-])[C@@H]1[C@H](CNc2cnn(-c3ccncc3)c2)C1(F)F ZINC001601754393 1174987633 /nfs/dbraw/zinc/98/76/33/1174987633.db2.gz UJHVQCGMPLHYIK-QWRGUYRKSA-N -1 1 294.261 1.645 20 0 CDADMM O=C([O-])[C@@H]1CC12CCN(CN1CC3(CC3)CC1=O)CC2 ZINC001601774646 1175001779 /nfs/dbraw/zinc/00/17/79/1175001779.db2.gz JOWNKYUTMGIVEF-NSHDSACASA-N -1 1 278.352 1.143 20 0 CDADMM O=C([O-])[C@@H]1CCN(CN2CC[C@H](c3ccccc3)C2=O)C1 ZINC001601825675 1175024792 /nfs/dbraw/zinc/02/47/92/1175024792.db2.gz KGWLGPGLUUBIMW-ZIAGYGMSSA-N -1 1 288.347 1.367 20 0 CDADMM O=C([O-])C[C@@H]1CCCN1Cn1ccc(-c2nccs2)n1 ZINC001601953654 1175084555 /nfs/dbraw/zinc/08/45/55/1175084555.db2.gz JCYBCUSWXSBUBY-JTQLQIEISA-N -1 1 292.364 1.903 20 0 CDADMM O=C([O-])CCC[N@@H+](Cc1n[nH]c(=O)[n-]1)Cc1ccccc1 ZINC001601990033 1175100935 /nfs/dbraw/zinc/10/09/35/1175100935.db2.gz IZDGXQICGSUSDT-UHFFFAOYSA-N -1 1 290.323 1.377 20 0 CDADMM O=C([O-])CC[N@@H+](CC(=O)[O-])Cc1cccc2cnccc21 ZINC001602004636 1175108466 /nfs/dbraw/zinc/10/84/66/1175108466.db2.gz JCYSIABEDUUYEC-UHFFFAOYSA-N -1 1 288.303 1.596 20 0 CDADMM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](c3nnn[n-]3)C2)c(F)c1 ZINC001602337780 1175212497 /nfs/dbraw/zinc/21/24/97/1175212497.db2.gz JVLICQOCVVZBTF-SNVBAGLBSA-N -1 1 291.286 1.027 20 0 CDADMM O=C([O-])c1ccc(C[N@H+]2CC[C@@H](c3nnn[n-]3)C2)c(F)c1 ZINC001602337780 1175212502 /nfs/dbraw/zinc/21/25/02/1175212502.db2.gz JVLICQOCVVZBTF-SNVBAGLBSA-N -1 1 291.286 1.027 20 0 CDADMM O=C([O-])c1cnc(CNC(=O)c2cccc(F)c2O)s1 ZINC001602523337 1175270971 /nfs/dbraw/zinc/27/09/71/1175270971.db2.gz YCNYUXYNNTZGEU-UHFFFAOYSA-N -1 1 296.279 1.616 20 0 CDADMM O=C([O-])c1ncn(CN2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC001602580229 1175306774 /nfs/dbraw/zinc/30/67/74/1175306774.db2.gz NISJUECYDKIWDO-WDEREUQCSA-N -1 1 264.329 1.446 20 0 CDADMM O=C([O-])c1occc1CNCc1cnn2ccccc12 ZINC001602591113 1175312238 /nfs/dbraw/zinc/31/22/38/1175312238.db2.gz RKIWAUZLOYOVQE-UHFFFAOYSA-N -1 1 271.276 1.915 20 0 CDADMM C[C@@H](C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1)C1CCC1 ZINC001603020028 1175478517 /nfs/dbraw/zinc/47/85/17/1175478517.db2.gz YFEASHYHWOMMQT-SECBINFHSA-N -1 1 287.323 1.713 20 0 CDADMM CC(C)(C)CCCC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001603071701 1175486822 /nfs/dbraw/zinc/48/68/22/1175486822.db2.gz OSIWTERFYFWZGM-UHFFFAOYSA-N -1 1 277.332 1.745 20 0 CDADMM CC(C)[C@@H](F)C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001603225732 1175520862 /nfs/dbraw/zinc/52/08/62/1175520862.db2.gz VAJWVXIRVGHXBC-SECBINFHSA-N -1 1 268.248 1.497 20 0 CDADMM CC(C)[C@@H](F)C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001603225732 1175520867 /nfs/dbraw/zinc/52/08/67/1175520867.db2.gz VAJWVXIRVGHXBC-SECBINFHSA-N -1 1 268.248 1.497 20 0 CDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001603238658 1175521568 /nfs/dbraw/zinc/52/15/68/1175521568.db2.gz RQBCYSBYAJEDRS-KRTXAFLBSA-N -1 1 275.316 1.211 20 0 CDADMM CC(C)C1CN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001603249138 1175527077 /nfs/dbraw/zinc/52/70/77/1175527077.db2.gz GKHYWIVCBMLQRZ-UHFFFAOYSA-N -1 1 287.327 1.381 20 0 CDADMM CC(C)C1CN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001603249138 1175527084 /nfs/dbraw/zinc/52/70/84/1175527084.db2.gz GKHYWIVCBMLQRZ-UHFFFAOYSA-N -1 1 287.327 1.381 20 0 CDADMM CC(C)CSCCCn1cc(-c2nn[n-]n2)ccc1=O ZINC001603304223 1175535945 /nfs/dbraw/zinc/53/59/45/1175535945.db2.gz JZQMJARWAFUKOJ-UHFFFAOYSA-N -1 1 293.396 1.808 20 0 CDADMM CC(C)O[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001603347816 1175543863 /nfs/dbraw/zinc/54/38/63/1175543863.db2.gz RRKULJRKPYCRHQ-SNVBAGLBSA-N -1 1 289.343 1.051 20 0 CDADMM CC(C)O[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001603347816 1175543872 /nfs/dbraw/zinc/54/38/72/1175543872.db2.gz RRKULJRKPYCRHQ-SNVBAGLBSA-N -1 1 289.343 1.051 20 0 CDADMM CC(C)[S@@](C)(=O)=NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001603375150 1175550031 /nfs/dbraw/zinc/55/00/31/1175550031.db2.gz ONBRHLOPIVBNKY-LJQANCHMSA-N -1 1 299.381 1.575 20 0 CDADMM CC(C)[S@@](C)(=O)=NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603375150 1175550037 /nfs/dbraw/zinc/55/00/37/1175550037.db2.gz ONBRHLOPIVBNKY-LJQANCHMSA-N -1 1 299.381 1.575 20 0 CDADMM CC(F)(F)C(C)(C)CNc1nccnc1-c1nnn[n-]1 ZINC001603591865 1175573338 /nfs/dbraw/zinc/57/33/38/1175573338.db2.gz KYRLMGFJEXFZTF-UHFFFAOYSA-N -1 1 283.286 1.750 20 0 CDADMM CC(F)(F)C(C)(C)CNc1nccnc1-c1nn[n-]n1 ZINC001603591865 1175573343 /nfs/dbraw/zinc/57/33/43/1175573343.db2.gz KYRLMGFJEXFZTF-UHFFFAOYSA-N -1 1 283.286 1.750 20 0 CDADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccn(C)n1 ZINC001603683478 1175598435 /nfs/dbraw/zinc/59/84/35/1175598435.db2.gz KMDHGMCSTLKVDL-QMMMGPOBSA-N -1 1 270.300 1.168 20 0 CDADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccn(C)n1 ZINC001603683478 1175598442 /nfs/dbraw/zinc/59/84/42/1175598442.db2.gz KMDHGMCSTLKVDL-QMMMGPOBSA-N -1 1 270.300 1.168 20 0 CDADMM CC(C)=C(C)C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001603697093 1175600994 /nfs/dbraw/zinc/60/09/94/1175600994.db2.gz HMMDVAGMAFKSQF-NSHDSACASA-N -1 1 268.357 1.350 20 0 CDADMM C[C@H](c1cccnc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001603739721 1175613842 /nfs/dbraw/zinc/61/38/42/1175613842.db2.gz WYTQEPSOASHBAH-SECBINFHSA-N -1 1 282.311 1.249 20 0 CDADMM C[C@H](c1cccnc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001603739721 1175613849 /nfs/dbraw/zinc/61/38/49/1175613849.db2.gz WYTQEPSOASHBAH-SECBINFHSA-N -1 1 282.311 1.249 20 0 CDADMM CC1(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CCC1 ZINC001603748699 1175615470 /nfs/dbraw/zinc/61/54/70/1175615470.db2.gz UZIRDCSVQMKGLO-UHFFFAOYSA-N -1 1 278.341 1.130 20 0 CDADMM CC1(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CCC1 ZINC001603748699 1175615477 /nfs/dbraw/zinc/61/54/77/1175615477.db2.gz UZIRDCSVQMKGLO-UHFFFAOYSA-N -1 1 278.341 1.130 20 0 CDADMM CC1(C)CC[C@H](CNc2ccnc(-c3nnn[n-]3)c2)O1 ZINC001603773293 1175626636 /nfs/dbraw/zinc/62/66/36/1175626636.db2.gz YCAZEUAIPVTGGZ-SNVBAGLBSA-N -1 1 274.328 1.053 20 0 CDADMM CC1(C)CC[C@H](CNc2ccnc(-c3nn[n-]n3)c2)O1 ZINC001603773293 1175626637 /nfs/dbraw/zinc/62/66/37/1175626637.db2.gz YCAZEUAIPVTGGZ-SNVBAGLBSA-N -1 1 274.328 1.053 20 0 CDADMM C[C@@H]1[C@@H](CO)CCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001603836725 1175648994 /nfs/dbraw/zinc/64/89/94/1175648994.db2.gz QYHUQPVTQBBOTI-HTQZYQBOSA-N -1 1 294.746 1.122 20 0 CDADMM 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1.629 20 0 CDADMM O=c1nc(N2CC[C@H](n3cccn3)C2)cc(Cl)[n-]1 ZINC000858552603 729221439 /nfs/dbraw/zinc/22/14/39/729221439.db2.gz HPXOREJEYBRXDJ-QMMMGPOBSA-N -1 1 265.704 1.484 20 0 CDADMM COC(=O)c1cnc(SCN(C)C(=O)C(C)C)[n-]1 ZINC000882154834 729228517 /nfs/dbraw/zinc/22/85/17/729228517.db2.gz APIDILOZENRSGV-UHFFFAOYSA-N -1 1 271.342 1.360 20 0 CDADMM COC(=O)c1c[n-]c(SCN(C)C(=O)C(C)C)n1 ZINC000882154834 729228523 /nfs/dbraw/zinc/22/85/23/729228523.db2.gz APIDILOZENRSGV-UHFFFAOYSA-N -1 1 271.342 1.360 20 0 CDADMM O=C(NC[C@@H](O)c1ccncc1)c1cc(Cl)ccc1[O-] ZINC000305178405 729252884 /nfs/dbraw/zinc/25/28/84/729252884.db2.gz MNXMOUXVEROZPT-CYBMUJFWSA-N -1 1 292.722 1.904 20 0 CDADMM CCC(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001052421903 729273069 /nfs/dbraw/zinc/27/30/69/729273069.db2.gz OOVFKDULIBAATD-MNOVXSKESA-N -1 1 291.351 1.022 20 0 CDADMM COCCn1cc(C(=O)Nc2nc(Cl)ccc2[O-])cn1 ZINC000867712915 729300963 /nfs/dbraw/zinc/30/09/63/729300963.db2.gz JRLYDRYDSBQCOZ-UHFFFAOYSA-N -1 1 296.714 1.536 20 0 CDADMM Cn1[n-]cc2c(=NC(=O)N3CCC[C@@H]4C[C@@H]43)ccnc1-2 ZINC000806486813 729320541 /nfs/dbraw/zinc/32/05/41/729320541.db2.gz HPVSYXLNCPBHGS-SKDRFNHKSA-N -1 1 271.324 1.358 20 0 CDADMM CCON(C(=O)c1cnc(C2CC2)[n-]c1=O)C(C)C ZINC000911552830 729322134 /nfs/dbraw/zinc/32/21/34/729322134.db2.gz KASKGXHJBYGZKG-UHFFFAOYSA-N -1 1 265.313 1.862 20 0 CDADMM O=C([N-]OC/C=C/Cl)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000812405993 729345940 /nfs/dbraw/zinc/34/59/40/729345940.db2.gz ADWAGMXLSHZGAL-QLCVYAKKSA-N -1 1 286.759 1.578 20 0 CDADMM CC(C)[C@H]1CN(c2ncncc2-c2nn[n-]n2)CCS1 ZINC001609091186 1164764413 /nfs/dbraw/zinc/76/44/13/1164764413.db2.gz HHYFGGVTSKZFPH-SNVBAGLBSA-N -1 1 291.384 1.235 20 0 CDADMM Nc1nc([O-])c(CC(=O)Nc2ccc3[nH]ccc3c2)s1 ZINC000079437046 729359050 /nfs/dbraw/zinc/35/90/50/729359050.db2.gz FCWBBJDZQUUEMU-SNVBAGLBSA-N -1 1 288.332 1.453 20 0 CDADMM COC(=O)c1c[n-]c(SC[C@@H]2CCO[C@H]2C)n1 ZINC000865363905 729362330 /nfs/dbraw/zinc/36/23/30/729362330.db2.gz XTUAHVZQAKMIBW-YUMQZZPRSA-N -1 1 256.327 1.713 20 0 CDADMM O=C(/C=C/[C@@H]1CCOC1)NCCc1c(F)cc([O-])cc1F ZINC000886268261 729363499 /nfs/dbraw/zinc/36/34/99/729363499.db2.gz JMHOJZMHMSGVHR-TXXBHVLJSA-N -1 1 297.301 1.922 20 0 CDADMM C[C@@H](C(=O)N1CCC(c2nn[n-]n2)CC1)C1CCCC1 ZINC000095238281 729369676 /nfs/dbraw/zinc/36/96/76/729369676.db2.gz PGRLIHWLWMOSAT-SNVBAGLBSA-N -1 1 277.372 1.732 20 0 CDADMM CC1(C)C[C@]1(C)C[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000882579293 729385004 /nfs/dbraw/zinc/38/50/04/729385004.db2.gz WDPAQFLCFGLVRP-LLVKDONJSA-N -1 1 294.442 1.519 20 0 CDADMM CC[C@H](C)CO[N-]C(=O)[C@@H]1C[C@]12c1ccccc1NC2=O ZINC000820279949 729388077 /nfs/dbraw/zinc/38/80/77/729388077.db2.gz UZCCYDZLHDOPKF-PKWAYOAASA-N -1 1 288.347 1.990 20 0 CDADMM O=C([N-]Cc1nc2ccc(F)cc2[nH]1)C(F)(F)F ZINC000176131373 729389837 /nfs/dbraw/zinc/38/98/37/729389837.db2.gz ODLHTMKBAFNWLW-UHFFFAOYSA-N -1 1 261.178 1.881 20 0 CDADMM Cc1ccc(C(=O)N2CCC[C@H]2c2nn[n-]n2)c(F)c1 ZINC000720618943 729392100 /nfs/dbraw/zinc/39/21/00/729392100.db2.gz QPRFAIBLVATSPP-NSHDSACASA-N -1 1 275.287 1.625 20 0 CDADMM Cc1ccc2c(CC(=O)Nc3nnn[n-]3)coc2c1 ZINC000072678384 729517740 /nfs/dbraw/zinc/51/77/40/729517740.db2.gz QLQBCTODZIDCDD-UHFFFAOYSA-N -1 1 257.253 1.436 20 0 CDADMM Cc1ccc2c(CC(=O)Nc3nn[n-]n3)coc2c1 ZINC000072678384 729517742 /nfs/dbraw/zinc/51/77/42/729517742.db2.gz QLQBCTODZIDCDD-UHFFFAOYSA-N -1 1 257.253 1.436 20 0 CDADMM C[C@H]([N-]C(=O)C(F)(F)C(=O)N[C@@H](C)C(F)F)C(F)F ZINC000883162228 729520781 /nfs/dbraw/zinc/52/07/81/729520781.db2.gz MXTRHRICWZSWDL-IMJSIDKUSA-N -1 1 294.195 1.161 20 0 CDADMM Nc1ccnc(-c2noc(-c3cc4c(cc3[O-])OCO4)n2)n1 ZINC000813352229 729530446 /nfs/dbraw/zinc/53/04/46/729530446.db2.gz SLUKNDVINCBKKO-UHFFFAOYSA-N -1 1 299.246 1.040 20 0 CDADMM CC/C=C\CCOC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000255570462 729534934 /nfs/dbraw/zinc/53/49/34/729534934.db2.gz PCVJZLBRHSJKSF-PLNGDYQASA-N -1 1 287.337 1.701 20 0 CDADMM CC[C@@]1(C)CN(c2cc(Cl)[n-]c(=O)n2)CCO1 ZINC000858508872 729536832 /nfs/dbraw/zinc/53/68/32/729536832.db2.gz RFWATRQXAVQXIW-NSHDSACASA-N -1 1 257.721 1.841 20 0 CDADMM O=C(CCn1cccc1)NCc1n[n-]c(=S)n1C1CC1 ZINC000081354880 729572420 /nfs/dbraw/zinc/57/24/20/729572420.db2.gz KMMULNCXNSTISM-UHFFFAOYSA-N -1 1 291.380 1.784 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H](C)CNC(=O)OC(C)(C)C ZINC000854634399 729575343 /nfs/dbraw/zinc/57/53/43/729575343.db2.gz CHIWJEKHTOKFSH-SSDOTTSWSA-N -1 1 298.343 1.523 20 0 CDADMM CCC[C@H](O)CC(=O)NCCc1c(F)cc([O-])cc1F ZINC000886266799 729576956 /nfs/dbraw/zinc/57/69/56/729576956.db2.gz ZFXPIJVZHNRUNH-VIFPVBQESA-N -1 1 287.306 1.880 20 0 CDADMM COc1cccc([C@@H](O)CNC(=O)c2cncc([O-])c2)c1 ZINC000171874739 729606336 /nfs/dbraw/zinc/60/63/36/729606336.db2.gz PANCUGHILLUUDJ-AWEZNQCLSA-N -1 1 288.303 1.259 20 0 CDADMM O=C(NOCC(F)(F)F)c1c(F)ccc([O-])c1F ZINC000809725244 729612426 /nfs/dbraw/zinc/61/24/26/729612426.db2.gz MQFNDGXTVJSHCT-UHFFFAOYSA-N -1 1 271.141 1.894 20 0 CDADMM O=C(c1cc(F)ccc1[O-])N1CC[C@@H](C2OCCO2)C1 ZINC000927999689 729687010 /nfs/dbraw/zinc/68/70/10/729687010.db2.gz QDMWAXBTLQVGTG-SECBINFHSA-N -1 1 281.283 1.366 20 0 CDADMM Cc1ccc(-n2cc([O-])c(C(=O)OC[C@@H](C)O)n2)cc1 ZINC000792295187 729724180 /nfs/dbraw/zinc/72/41/80/729724180.db2.gz RHXRYGFLWGDBAQ-SNVBAGLBSA-N -1 1 276.292 1.424 20 0 CDADMM Cc1cnc(C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c([O-])c1 ZINC000888843815 729759220 /nfs/dbraw/zinc/75/92/20/729759220.db2.gz MHIVVSXUOWABST-LODQBSKSSA-N -1 1 260.293 1.001 20 0 CDADMM CC(C)(C)N1CC[C@H]([N-]C(=O)C(F)(F)C(F)F)C1=O ZINC000843614367 729802452 /nfs/dbraw/zinc/80/24/52/729802452.db2.gz BHYCFPVTKQKCHT-LURJTMIESA-N -1 1 284.253 1.402 20 0 CDADMM C[C@@H](NS(C)(=O)=O)c1nnc([N-]c2ccccc2)o1 ZINC000863980996 729808732 /nfs/dbraw/zinc/80/87/32/729808732.db2.gz SYJJWGDVGKUWCW-MRVPVSSYSA-N -1 1 282.325 1.423 20 0 CDADMM CCC(C)(C)C(=O)COC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000796363290 729819641 /nfs/dbraw/zinc/81/96/41/729819641.db2.gz STBDKWOGOBHDIP-UHFFFAOYSA-N -1 1 281.308 1.963 20 0 CDADMM COc1cccc(SCCOC(=O)c2cn[n-]n2)c1 ZINC000849776841 729835990 /nfs/dbraw/zinc/83/59/90/729835990.db2.gz RCRJONYZDCDZFM-UHFFFAOYSA-N -1 1 279.321 1.762 20 0 CDADMM COC(=Cc1ccccc1)C(=O)Nc1ccncc1[O-] ZINC000786468922 729838325 /nfs/dbraw/zinc/83/83/25/729838325.db2.gz VYCREKPZPIBXFI-ZROIWOOFSA-N -1 1 270.288 1.835 20 0 CDADMM Cc1ccc(C(=O)[N-]NC(=O)c2cn3ccccc3n2)o1 ZINC000084290842 729850500 /nfs/dbraw/zinc/85/05/00/729850500.db2.gz JVAFDSRVVNMSLM-UHFFFAOYSA-N -1 1 284.275 1.311 20 0 CDADMM O=C(/C=C\[C@H]1CCOC1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000854342483 729864572 /nfs/dbraw/zinc/86/45/72/729864572.db2.gz VKVZZBXEMCTHOC-SYBPUXJVSA-N -1 1 293.323 1.074 20 0 CDADMM CC[C@H](C(=O)Nc1nc(Cl)ccc1[O-])[C@H](C)O ZINC000842259817 729882184 /nfs/dbraw/zinc/88/21/84/729882184.db2.gz VPKDLNVLPSZRQY-BQBZGAKWSA-N -1 1 258.705 1.786 20 0 CDADMM NC(=O)C1(C(=O)Nc2cc(F)c([O-])cc2Cl)CC1 ZINC000885675041 729886396 /nfs/dbraw/zinc/88/63/96/729886396.db2.gz ZZHQWKGAICVUNE-UHFFFAOYSA-N -1 1 272.663 1.389 20 0 CDADMM Cc1cc2oc(=O)cc(COC(=O)c3cn[n-]n3)c2cc1C ZINC000805605713 729889411 /nfs/dbraw/zinc/88/94/11/729889411.db2.gz NBAHCQQHIWNGSY-UHFFFAOYSA-N -1 1 299.286 1.885 20 0 CDADMM COc1ccc(C(=O)[N-]C(=O)Cn2ccnc2C2CC2)cc1 ZINC000863386325 729894881 /nfs/dbraw/zinc/89/48/81/729894881.db2.gz QPTXYMDDHYVYAC-UHFFFAOYSA-N -1 1 299.330 1.726 20 0 CDADMM CCc1cc(CNC(=O)NCC(CC)(CC)C(=O)[O-])n[nH]1 ZINC000818625708 729895131 /nfs/dbraw/zinc/89/51/31/729895131.db2.gz QYPFIQURFHYGDW-UHFFFAOYSA-N -1 1 296.371 1.662 20 0 CDADMM CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C)c1[O-] ZINC001017480668 729897057 /nfs/dbraw/zinc/89/70/57/729897057.db2.gz RCJPQIKISBMMJR-PHIMTYICSA-N -1 1 278.356 1.123 20 0 CDADMM O=c1nc(N2CC[C@H]([C@@H]3CCOC3)C2)cc(Cl)[n-]1 ZINC000858455436 729912443 /nfs/dbraw/zinc/91/24/43/729912443.db2.gz YGWNYVAIYYFQID-DTWKUNHWSA-N -1 1 269.732 1.698 20 0 CDADMM Cc1cc(C)c(C(=O)N2CCSC[C@H]2c2nn[n-]n2)o1 ZINC000779534959 729945304 /nfs/dbraw/zinc/94/53/04/729945304.db2.gz IXJFRSCQRQRHMW-VIFPVBQESA-N -1 1 293.352 1.340 20 0 CDADMM O=C([O-])c1ccccc1-n1[nH]c([C@H]2CCOC2)cc1=O ZINC000871947921 729948808 /nfs/dbraw/zinc/94/88/08/729948808.db2.gz MHVBRNXWUDBHNZ-VIFPVBQESA-N -1 1 274.276 1.514 20 0 CDADMM C[C@H]1CCN(C(=O)c2c([O-])cccc2Cl)[C@@H](C(N)=O)C1 ZINC000779303559 729966956 /nfs/dbraw/zinc/96/69/56/729966956.db2.gz FCIFTKOZUJYUTO-WCBMZHEXSA-N -1 1 296.754 1.772 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NNC(=O)C(C)(C)C ZINC000081571736 729967495 /nfs/dbraw/zinc/96/74/95/729967495.db2.gz SJNJTVGHOARTPJ-UHFFFAOYSA-N -1 1 294.355 1.009 20 0 CDADMM C[C@@H]([N-]S(=O)(=O)CC=C(Cl)Cl)C(F)F ZINC000882870879 729972598 /nfs/dbraw/zinc/97/25/98/729972598.db2.gz SQXQYGDPMLYQTR-SCSAIBSYSA-N -1 1 268.112 1.878 20 0 CDADMM Cc1ccc(CC(=O)N2CCC(c3nn[n-]n3)CC2)cc1 ZINC000095323296 729978536 /nfs/dbraw/zinc/97/85/36/729978536.db2.gz XDNLTBXIZQLOQH-UHFFFAOYSA-N -1 1 285.351 1.457 20 0 CDADMM CC(=CC(=O)Nc1nnn[n-]1)c1ccccc1Cl ZINC000076964325 729981384 /nfs/dbraw/zinc/98/13/84/729981384.db2.gz 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JICRGZMZUGZJQU-KOLCDFICSA-N -1 1 282.365 1.842 20 0 CDADMM CC[C@H](C)[C@H](NC(=O)CN1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000036100943 600801452 /nfs/dbraw/zinc/80/14/52/600801452.db2.gz JAOQXTWQSYWMPC-FMSGJZPZSA-N -1 1 284.400 1.865 20 0 CDADMM CCCN(C)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000829459606 600821225 /nfs/dbraw/zinc/82/12/25/600821225.db2.gz YWWWPNHDRLXOGS-JTQLQIEISA-N -1 1 282.365 1.893 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1ccn[nH]1 ZINC000219103717 600895974 /nfs/dbraw/zinc/89/59/74/600895974.db2.gz XGLQLFGPVWZPNJ-DLOVCJGASA-N -1 1 277.324 1.197 20 0 CDADMM CN(CC(=O)Nc1ccc(C(=O)[O-])cc1)C1CCC1 ZINC000830681777 601022942 /nfs/dbraw/zinc/02/29/42/601022942.db2.gz IDFCYDDIRAFOSK-UHFFFAOYSA-N -1 1 262.309 1.808 20 0 CDADMM C[C@@](NCC(=O)NCCC1=CCCCC1)(C(=O)[O-])C1CC1 ZINC000827727728 601036387 /nfs/dbraw/zinc/03/63/87/601036387.db2.gz MHLHKJXAICGJCF-INIZCTEOSA-N -1 1 294.395 1.836 20 0 CDADMM Cc1ccc(CNC(=O)CN[C@@](C)(C(=O)[O-])C2CC2)cc1 ZINC000832931883 601039421 /nfs/dbraw/zinc/03/94/21/601039421.db2.gz VAXFLMNINKFXBH-MRXNPFEDSA-N -1 1 290.363 1.454 20 0 CDADMM C/C(=C/COC(=O)[C@@H](C)N1CCCCCC1)C(=O)[O-] ZINC000825752024 601427026 /nfs/dbraw/zinc/42/70/26/601427026.db2.gz HLMPOTIWWUTZTR-SEVUFMINSA-N -1 1 269.341 1.825 20 0 CDADMM Cc1ccccc1OC[C@@H](O)CN1CC[C@](F)(C(=O)[O-])C1 ZINC000832979389 601439384 /nfs/dbraw/zinc/43/93/84/601439384.db2.gz OBMIGMPTLUMCRD-SWLSCSKDSA-N -1 1 297.326 1.233 20 0 CDADMM O=C([O-])C[C@H]1CN(CCC(=O)Nc2ccccc2)CCO1 ZINC000091296443 601456161 /nfs/dbraw/zinc/45/61/61/601456161.db2.gz JQKIYUGNBJOWBL-ZDUSSCGKSA-N -1 1 292.335 1.191 20 0 CDADMM NC(=O)C1(NCc2ccc(C(=O)[O-])o2)CCCCC1 ZINC000833083166 601486721 /nfs/dbraw/zinc/48/67/21/601486721.db2.gz XWVQMFNYWYAYEJ-UHFFFAOYSA-N -1 1 266.297 1.256 20 0 CDADMM O=C([O-])c1occc1CNCc1ccc2nonc2c1 ZINC001602590697 1175312783 /nfs/dbraw/zinc/31/27/83/1175312783.db2.gz AEDJPHWUKDZGNE-UHFFFAOYSA-N -1 1 273.248 1.804 20 0 CDADMM C[C@@H]1CN(Cc2cnn(-c3ccccc3)n2)C[C@@H]1C(=O)[O-] ZINC000086774306 601523600 /nfs/dbraw/zinc/52/36/00/601523600.db2.gz UGPJSJJAWWEDDA-RISCZKNCSA-N -1 1 286.335 1.420 20 0 CDADMM Cc1nnc(CN2C[C@H](C)[C@@H](C(=O)[O-])C2)n1C1CC1 ZINC000833018099 601543562 /nfs/dbraw/zinc/54/35/62/601543562.db2.gz MEFUGWGFQMSPON-KWQFWETISA-N -1 1 264.329 1.074 20 0 CDADMM O=C([O-])C[C@H]1CN(C(=O)c2ccc(O)c(Cl)c2)CCO1 ZINC000091293003 601759644 /nfs/dbraw/zinc/75/96/44/601759644.db2.gz XQTUWGUIWCKIMQ-VIFPVBQESA-N -1 1 299.710 1.361 20 0 CDADMM COc1cccc([C@H](CO)NCc2c[nH]c(C(=O)[O-])c2)c1 ZINC000832534113 601834266 /nfs/dbraw/zinc/83/42/66/601834266.db2.gz UEIIEDINAFVGRV-AWEZNQCLSA-N -1 1 290.319 1.545 20 0 CDADMM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(F)c1)N(C)C ZINC000832803069 601877175 /nfs/dbraw/zinc/87/71/75/601877175.db2.gz CAOKXXFCRPUKEX-ZETCQYMHSA-N -1 1 254.261 1.413 20 0 CDADMM CCN1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000109601451 601935982 /nfs/dbraw/zinc/93/59/82/601935982.db2.gz ORSNQKYMHRTFES-UHFFFAOYSA-N -1 1 254.355 1.584 20 0 CDADMM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000828617806 602020682 /nfs/dbraw/zinc/02/06/82/602020682.db2.gz LPWIWZGXYVJCRV-YMTOWFKASA-N -1 1 279.340 1.589 20 0 CDADMM O=Cc1ccccc1OCc1ccnc(-c2nnn[n-]2)c1 ZINC000095166898 607540026 /nfs/dbraw/zinc/54/00/26/607540026.db2.gz BJWVKZGBSNFSHN-UHFFFAOYSA-N -1 1 281.275 1.653 20 0 CDADMM O=Cc1ccccc1OCc1ccnc(-c2nn[n-]n2)c1 ZINC000095166898 607540028 /nfs/dbraw/zinc/54/00/28/607540028.db2.gz BJWVKZGBSNFSHN-UHFFFAOYSA-N -1 1 281.275 1.653 20 0 CDADMM Cc1cc(=O)[n-]c(C[NH2+][C@H](C(=O)[O-])C(C)(C)C)n1 ZINC000832898838 602325043 /nfs/dbraw/zinc/32/50/43/602325043.db2.gz DPHHUXPGOZMKJA-SNVBAGLBSA-N -1 1 253.302 1.080 20 0 CDADMM CC1(C)C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000824789353 607821320 /nfs/dbraw/zinc/82/13/20/607821320.db2.gz HCLSXFUQCXJGPB-VIFPVBQESA-N -1 1 274.328 1.631 20 0 CDADMM CC1(C)C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000824789353 607821321 /nfs/dbraw/zinc/82/13/21/607821321.db2.gz HCLSXFUQCXJGPB-VIFPVBQESA-N -1 1 274.328 1.631 20 0 CDADMM Cc1nnc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)[nH]1 ZINC000833001863 604285367 /nfs/dbraw/zinc/28/53/67/604285367.db2.gz ABHANJRLZPPGNK-UHFFFAOYSA-N -1 1 264.216 1.203 20 0 CDADMM Cc1n[nH]c(NC(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000833001863 604285368 /nfs/dbraw/zinc/28/53/68/604285368.db2.gz ABHANJRLZPPGNK-UHFFFAOYSA-N -1 1 264.216 1.203 20 0 CDADMM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(C2CC2)[nH]n1 ZINC000827005867 604433438 /nfs/dbraw/zinc/43/34/38/604433438.db2.gz GNRWSRACEORSQL-LBPRGKRZSA-N -1 1 295.339 1.237 20 0 CDADMM Cc1cc(CN2CCS[C@@H]3COCC[C@H]32)oc1C(=O)[O-] ZINC000832882260 604680011 /nfs/dbraw/zinc/68/00/11/604680011.db2.gz AVOHFPXOGPERNJ-VXGBXAGGSA-N -1 1 297.376 1.993 20 0 CDADMM CCc1nc([C@H](C)NC(=O)c2ccc(C(=O)[O-])s2)n[nH]1 ZINC000833674816 605024160 /nfs/dbraw/zinc/02/41/60/605024160.db2.gz WOCCOKPYUQEALE-LURJTMIESA-N -1 1 294.336 1.618 20 0 CDADMM O=C([O-])CCCN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000821523988 605084925 /nfs/dbraw/zinc/08/49/25/605084925.db2.gz WBRBMYWBULGECI-ZWNOBZJWSA-N -1 1 285.290 1.937 20 0 CDADMM CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(C(=O)[O-])cn2)C[C@@H]1C ZINC000833655169 605132790 /nfs/dbraw/zinc/13/27/90/605132790.db2.gz APKQDNTZMPCZJB-WDEREUQCSA-N -1 1 291.351 1.335 20 0 CDADMM CCN1C[C@@H](C)N(C(=O)c2ccc(C(=O)[O-])cn2)C[C@@H]1C ZINC000833655169 605132792 /nfs/dbraw/zinc/13/27/92/605132792.db2.gz APKQDNTZMPCZJB-WDEREUQCSA-N -1 1 291.351 1.335 20 0 CDADMM Clc1ccc(N[C@H]2CCOC2)nc1-c1nnn[n-]1 ZINC000826353057 607736807 /nfs/dbraw/zinc/73/68/07/607736807.db2.gz ZIYZXKJYTMZOMX-LURJTMIESA-N -1 1 266.692 1.116 20 0 CDADMM Clc1ccc(N[C@H]2CCOC2)nc1-c1nn[n-]n1 ZINC000826353057 607736808 /nfs/dbraw/zinc/73/68/08/607736808.db2.gz ZIYZXKJYTMZOMX-LURJTMIESA-N -1 1 266.692 1.116 20 0 CDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000833603997 605182593 /nfs/dbraw/zinc/18/25/93/605182593.db2.gz XWTPPRIFYYAXGU-JHJVBQTASA-N -1 1 282.384 1.430 20 0 CDADMM CCOC(=O)[C@H](CC(C)C)N(C)C[C@@H](C)C(=O)[O-] ZINC000833656026 605204551 /nfs/dbraw/zinc/20/45/51/605204551.db2.gz GXBJOPGZXOHQSU-MNOVXSKESA-N -1 1 259.346 1.617 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(O)c1 ZINC000833626978 605766469 /nfs/dbraw/zinc/76/64/69/605766469.db2.gz UFPUDJIPBFADNJ-LLVKDONJSA-N -1 1 292.335 1.013 20 0 CDADMM Cc1ccccc1[C@H](CO)Nc1cccc(-c2nnn[n-]2)n1 ZINC000822350989 606139575 /nfs/dbraw/zinc/13/95/75/606139575.db2.gz ISYUGCPPBRPGRM-ZDUSSCGKSA-N -1 1 296.334 1.716 20 0 CDADMM Cc1ccccc1[C@H](CO)Nc1cccc(-c2nn[n-]n2)n1 ZINC000822350989 606139576 /nfs/dbraw/zinc/13/95/76/606139576.db2.gz ISYUGCPPBRPGRM-ZDUSSCGKSA-N -1 1 296.334 1.716 20 0 CDADMM Cc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(C)[nH]1 ZINC000822176306 606296533 /nfs/dbraw/zinc/29/65/33/606296533.db2.gz INXDXIRBJRJKKP-UHFFFAOYSA-N -1 1 298.306 1.770 20 0 CDADMM CCOCCCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821373320 606516721 /nfs/dbraw/zinc/51/67/21/606516721.db2.gz GAXPKKLIUSYEJJ-UHFFFAOYSA-N -1 1 291.311 1.122 20 0 CDADMM CCOCCCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821373320 606516723 /nfs/dbraw/zinc/51/67/23/606516723.db2.gz GAXPKKLIUSYEJJ-UHFFFAOYSA-N -1 1 291.311 1.122 20 0 CDADMM CCC(CC)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820898020 606801341 /nfs/dbraw/zinc/80/13/41/606801341.db2.gz SHQDEJDNOAEJCJ-UHFFFAOYSA-N -1 1 261.285 1.607 20 0 CDADMM CCC(CC)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820898020 606801343 /nfs/dbraw/zinc/80/13/43/606801343.db2.gz SHQDEJDNOAEJCJ-UHFFFAOYSA-N -1 1 261.285 1.607 20 0 CDADMM Cc1ncccc1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822472737 607110249 /nfs/dbraw/zinc/11/02/49/607110249.db2.gz XYESAHHKSAINKS-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1ncccc1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822472737 607110251 /nfs/dbraw/zinc/11/02/51/607110251.db2.gz XYESAHHKSAINKS-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)oc1C ZINC000822184633 607158769 /nfs/dbraw/zinc/15/87/69/607158769.db2.gz YJYHVAKHMZQBHV-UHFFFAOYSA-N -1 1 299.290 1.829 20 0 CDADMM Cc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)oc1C ZINC000822184633 607158770 /nfs/dbraw/zinc/15/87/70/607158770.db2.gz YJYHVAKHMZQBHV-UHFFFAOYSA-N -1 1 299.290 1.829 20 0 CDADMM C[C@H]1OCC[C@H]1SCc1ccnc(-c2nnn[n-]2)c1 ZINC000825019608 607845445 /nfs/dbraw/zinc/84/54/45/607845445.db2.gz FVZFIDSIVWKLCH-LDYMZIIASA-N -1 1 277.353 1.672 20 0 CDADMM C[C@H]1OCC[C@H]1SCc1ccnc(-c2nn[n-]n2)c1 ZINC000825019608 607845446 /nfs/dbraw/zinc/84/54/46/607845446.db2.gz FVZFIDSIVWKLCH-LDYMZIIASA-N -1 1 277.353 1.672 20 0 CDADMM C[C@@H](Sc1cccc(-c2nnn[n-]2)n1)[C@H](C)O ZINC000824679474 607900602 /nfs/dbraw/zinc/90/06/02/607900602.db2.gz SODHIJZBHGROLU-NKWVEPMBSA-N -1 1 251.315 1.123 20 0 CDADMM C[C@@H](Sc1cccc(-c2nn[n-]n2)n1)[C@H](C)O ZINC000824679474 607900603 /nfs/dbraw/zinc/90/06/03/607900603.db2.gz SODHIJZBHGROLU-NKWVEPMBSA-N -1 1 251.315 1.123 20 0 CDADMM CC[C@H](Nc1cccc(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC000825146672 607904380 /nfs/dbraw/zinc/90/43/80/607904380.db2.gz FEAZXLLIMKDHPW-GXSJLCMTSA-N -1 1 274.328 1.631 20 0 CDADMM CC[C@H](Nc1cccc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC000825146672 607904381 /nfs/dbraw/zinc/90/43/81/607904381.db2.gz FEAZXLLIMKDHPW-GXSJLCMTSA-N -1 1 274.328 1.631 20 0 CDADMM FC(F)(F)C1=CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000826367377 607936048 /nfs/dbraw/zinc/93/60/48/607936048.db2.gz XDIDLVQNPRHZCM-UHFFFAOYSA-N -1 1 296.256 1.961 20 0 CDADMM FC(F)(F)C1=CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000826367377 607936049 /nfs/dbraw/zinc/93/60/49/607936049.db2.gz XDIDLVQNPRHZCM-UHFFFAOYSA-N -1 1 296.256 1.961 20 0 CDADMM c1cc2c(s1)CCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC000826518554 607988957 /nfs/dbraw/zinc/98/89/57/607988957.db2.gz RDNMMRLZNOYHQG-UHFFFAOYSA-N -1 1 285.336 1.281 20 0 CDADMM c1cc2c(s1)CCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC000826518554 607988958 /nfs/dbraw/zinc/98/89/58/607988958.db2.gz RDNMMRLZNOYHQG-UHFFFAOYSA-N -1 1 285.336 1.281 20 0 CDADMM Cc1ccc(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])o1 ZINC000826286549 607999626 /nfs/dbraw/zinc/99/96/26/607999626.db2.gz GYGVINRCOPLJNB-UHFFFAOYSA-N -1 1 299.290 1.655 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1Cc1cnc(Cl)s1 ZINC000826501343 608024711 /nfs/dbraw/zinc/02/47/11/608024711.db2.gz LSJQCVOZAYSGPD-UHFFFAOYSA-N -1 1 294.727 1.187 20 0 CDADMM C[C@@]1(O)CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000824843616 608097725 /nfs/dbraw/zinc/09/77/25/608097725.db2.gz IBSOAZIRUFKTSJ-OAHLLOKOSA-N -1 1 296.334 1.376 20 0 CDADMM C[C@@]1(O)CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000824843616 608097726 /nfs/dbraw/zinc/09/77/26/608097726.db2.gz IBSOAZIRUFKTSJ-OAHLLOKOSA-N -1 1 296.334 1.376 20 0 CDADMM O=C(Nc1ccncc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000826459087 608203557 /nfs/dbraw/zinc/20/35/57/608203557.db2.gz UKPBWMZOVAEKPJ-UHFFFAOYSA-N -1 1 290.283 1.137 20 0 CDADMM O=C(Nc1ccncc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000826459087 608203558 /nfs/dbraw/zinc/20/35/58/608203558.db2.gz UKPBWMZOVAEKPJ-UHFFFAOYSA-N -1 1 290.283 1.137 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1C ZINC000824946228 608312444 /nfs/dbraw/zinc/31/24/44/608312444.db2.gz ISEYNXXCGNYTOL-ZJUUUORDSA-N -1 1 286.339 1.380 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1C ZINC000824946228 608312446 /nfs/dbraw/zinc/31/24/46/608312446.db2.gz ISEYNXXCGNYTOL-ZJUUUORDSA-N -1 1 286.339 1.380 20 0 CDADMM C[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@H]1C ZINC000824946807 608422877 /nfs/dbraw/zinc/42/28/77/608422877.db2.gz LCAVVZJBCALBFX-BDAKNGLRSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@H]1C ZINC000824946807 608422878 /nfs/dbraw/zinc/42/28/78/608422878.db2.gz LCAVVZJBCALBFX-BDAKNGLRSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc[nH]1 ZINC000824658058 608438151 /nfs/dbraw/zinc/43/81/51/608438151.db2.gz UREIBFKNVWHYHB-ZETCQYMHSA-N -1 1 256.273 1.158 20 0 CDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc[nH]1 ZINC000824658058 608438152 /nfs/dbraw/zinc/43/81/52/608438152.db2.gz UREIBFKNVWHYHB-ZETCQYMHSA-N -1 1 256.273 1.158 20 0 CDADMM CC(C)(C)C1=CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000824071597 608438255 /nfs/dbraw/zinc/43/82/55/608438255.db2.gz KKTNCASGQLPKQY-UHFFFAOYSA-N -1 1 285.355 1.839 20 0 CDADMM CC(C)(C)C1=CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000824071597 608438256 /nfs/dbraw/zinc/43/82/56/608438256.db2.gz KKTNCASGQLPKQY-UHFFFAOYSA-N -1 1 285.355 1.839 20 0 CDADMM CN1CCc2ccc(Nc3cccc(-c4nnn[n-]4)n3)cc21 ZINC000826045563 608587025 /nfs/dbraw/zinc/58/70/25/608587025.db2.gz ZEIPDSSRMNYDPQ-UHFFFAOYSA-N -1 1 293.334 1.998 20 0 CDADMM CN1CCc2ccc(Nc3cccc(-c4nn[n-]n4)n3)cc21 ZINC000826045563 608587026 /nfs/dbraw/zinc/58/70/26/608587026.db2.gz ZEIPDSSRMNYDPQ-UHFFFAOYSA-N -1 1 293.334 1.998 20 0 CDADMM CC(C)(C)OCCCn1ccnc1-c1nnn[n-]1 ZINC000824119919 608891372 /nfs/dbraw/zinc/89/13/72/608891372.db2.gz UAWWWBONXIYTOI-UHFFFAOYSA-N -1 1 250.306 1.268 20 0 CDADMM CC(C)(C)OCCCn1ccnc1-c1nn[n-]n1 ZINC000824119919 608891375 /nfs/dbraw/zinc/89/13/75/608891375.db2.gz UAWWWBONXIYTOI-UHFFFAOYSA-N -1 1 250.306 1.268 20 0 CDADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC(C)(C)C1 ZINC000824992387 609592226 /nfs/dbraw/zinc/59/22/26/609592226.db2.gz MGJODKSHMQKWHF-VIFPVBQESA-N -1 1 273.344 1.529 20 0 CDADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC(C)(C)C1 ZINC000824992387 609592227 /nfs/dbraw/zinc/59/22/27/609592227.db2.gz MGJODKSHMQKWHF-VIFPVBQESA-N -1 1 273.344 1.529 20 0 CDADMM O=C(c1ccc([O-])cc1F)N1CC[C@@H](O)[C@@H](F)C1 ZINC000890690572 617278342 /nfs/dbraw/zinc/27/83/42/617278342.db2.gz FKZFESGRAGTLJG-WDEREUQCSA-N -1 1 257.236 1.076 20 0 CDADMM O=C(NCC[C@H](O)C1CC1)c1ccc([O-])cc1F ZINC000890721573 617305759 /nfs/dbraw/zinc/30/57/59/617305759.db2.gz DBCBFVZMVJTSFR-LBPRGKRZSA-N -1 1 253.273 1.422 20 0 CDADMM Cc1nnc([C@@H](C)NC(=O)c2c([O-])cccc2Cl)[nH]1 ZINC000804812159 617335180 /nfs/dbraw/zinc/33/51/80/617335180.db2.gz JWVYNOURCUXAAP-ZCFIWIBFSA-N -1 1 280.715 1.963 20 0 CDADMM O=C(N[C@H]1CC12CC(O)C2)c1c([O-])cccc1Cl ZINC000888959050 617365005 /nfs/dbraw/zinc/36/50/05/617365005.db2.gz JTISYIMBKRBCIQ-JRIBOLAGSA-N -1 1 267.712 1.689 20 0 CDADMM COCc1nc(N[C@H]2CCO[C@H](C3CC3)C2)cc(=O)[n-]1 ZINC000893194299 617455886 /nfs/dbraw/zinc/45/58/86/617455886.db2.gz FRDSPVFGCFBESV-QWRGUYRKSA-N -1 1 279.340 1.698 20 0 CDADMM CCOC(C)(C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891612541 617504229 /nfs/dbraw/zinc/50/42/29/617504229.db2.gz BEJHFLLVGWQPKN-UHFFFAOYSA-N -1 1 279.340 1.815 20 0 CDADMM COCc1nc(N2CCc3ccccc3CC2)cc(=O)[n-]1 ZINC000892563245 617506474 /nfs/dbraw/zinc/50/64/74/617506474.db2.gz QCAUXDCSUOVAHH-UHFFFAOYSA-N -1 1 285.347 1.934 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cccc(F)n1 ZINC000891619135 617507632 /nfs/dbraw/zinc/50/76/32/617507632.db2.gz VPQPNOIEBZFDBS-UHFFFAOYSA-N -1 1 288.282 1.847 20 0 CDADMM CC[C@@H](C)CN1CC(N(CC)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000949874554 615436116 /nfs/dbraw/zinc/43/61/16/615436116.db2.gz QDRPKUPUXPARMN-SNVBAGLBSA-N -1 1 294.399 1.616 20 0 CDADMM COCc1nc(NCCOc2ccc(F)cc2)cc(=O)[n-]1 ZINC000891738269 617561340 /nfs/dbraw/zinc/56/13/40/617561340.db2.gz INNOXVQNUXZYIY-UHFFFAOYSA-N -1 1 293.298 1.959 20 0 CDADMM O=C(Nc1cccc(CCO)c1)c1cnc(C2CC2)[n-]c1=O ZINC000909398521 618079194 /nfs/dbraw/zinc/07/91/94/618079194.db2.gz ISPFRBFOOJULHY-UHFFFAOYSA-N -1 1 299.330 1.847 20 0 CDADMM COCc1nc(NC[C@H](O)c2ccc(C)cc2)cc(=O)[n-]1 ZINC000891809514 617601976 /nfs/dbraw/zinc/60/19/76/617601976.db2.gz NWUMYGADDRIQPC-LBPRGKRZSA-N -1 1 289.335 1.783 20 0 CDADMM CC/C=C(/C)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000776563571 617673609 /nfs/dbraw/zinc/67/36/09/617673609.db2.gz IWXKZMBUHIYMCI-USYJTPIQSA-N -1 1 267.358 1.173 20 0 CDADMM COCc1nc(N[C@H](CO)CC2CCC2)cc(=O)[n-]1 ZINC000893621203 617696334 /nfs/dbraw/zinc/69/63/34/617696334.db2.gz QOHWIFLQPNAFCL-JTQLQIEISA-N -1 1 267.329 1.292 20 0 CDADMM C[N-]S(=O)(=O)c1ccc(C(=O)OC[C@]23C[C@H]2CCC3)o1 ZINC000893628319 617720284 /nfs/dbraw/zinc/72/02/84/617720284.db2.gz LHHSFJRXWLHANM-RNCFNFMXSA-N -1 1 299.348 1.535 20 0 CDADMM O=c1[n-]nc([C@@H]2CCCN(c3nccs3)C2)o1 ZINC000893666171 617815544 /nfs/dbraw/zinc/81/55/44/617815544.db2.gz QWBRCXATNONGAQ-SSDOTTSWSA-N 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ZFLBZQWXMUUTFW-SNVBAGLBSA-N -1 1 299.396 1.829 20 0 CDADMM CC(C)OC(=O)[C@H](C)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000824305755 618564305 /nfs/dbraw/zinc/56/43/05/618564305.db2.gz UUWHFWAEPBCNMG-VIFPVBQESA-N -1 1 290.327 1.038 20 0 CDADMM CC(C)OC(=O)[C@H](C)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000824305755 618564307 /nfs/dbraw/zinc/56/43/07/618564307.db2.gz UUWHFWAEPBCNMG-VIFPVBQESA-N -1 1 290.327 1.038 20 0 CDADMM O=C([O-])C[C@H](CNC(=O)c1cccc2nc[nH]c21)C1CC1 ZINC000902088967 618570399 /nfs/dbraw/zinc/57/03/99/618570399.db2.gz XYWVFMOJIJSYDO-SNVBAGLBSA-N -1 1 287.319 1.794 20 0 CDADMM C[C@@H]1CN(Cn2c(=O)oc3ccccc32)C[C@H]1C(=O)[O-] ZINC000828462465 618622710 /nfs/dbraw/zinc/62/27/10/618622710.db2.gz JSPOPFXCMHZKJK-NXEZZACHSA-N -1 1 276.292 1.205 20 0 CDADMM CC(C)NC(=O)[C@H](C)[N-]c1nnc(Cc2ccccc2)o1 ZINC000894212584 618726962 /nfs/dbraw/zinc/72/69/62/618726962.db2.gz ABKGKZFUDPZOKT-NSHDSACASA-N -1 1 288.351 1.985 20 0 CDADMM COCc1nc(N2CCC[C@H]2[C@@H]2CCCOC2)cc(=O)[n-]1 ZINC000894342230 618799648 /nfs/dbraw/zinc/79/96/48/618799648.db2.gz PAEJZYYYSWTCAK-NEPJUHHUSA-N -1 1 293.367 1.724 20 0 CDADMM COCc1nc(NCc2ccc(C)cn2)cc(=O)[n-]1 ZINC000894349779 618808755 /nfs/dbraw/zinc/80/87/55/618808755.db2.gz ORVTVCSPYVYYKF-UHFFFAOYSA-N -1 1 260.297 1.644 20 0 CDADMM O=C([O-])C1(NC(=O)Cc2cnc[nH]2)CCCCCC1 ZINC000909520230 619617773 /nfs/dbraw/zinc/61/77/73/619617773.db2.gz VANZFXYPZSVFDU-UHFFFAOYSA-N -1 1 265.313 1.246 20 0 CDADMM C[C@H](Cc1ccc(NC(=O)[C@H]2CCCN2C)cc1)C(=O)[O-] ZINC000909521151 619646285 /nfs/dbraw/zinc/64/62/85/619646285.db2.gz UVNWBZGLPFZSDJ-BXUZGUMPSA-N -1 1 290.363 1.983 20 0 CDADMM C[C@@H](Cc1ccc(NC(=O)[C@@H]2CCCN2C)cc1)C(=O)[O-] ZINC000909521155 619646380 /nfs/dbraw/zinc/64/63/80/619646380.db2.gz UVNWBZGLPFZSDJ-FZMZJTMJSA-N -1 1 290.363 1.983 20 0 CDADMM CC[C@@H](CN1CCOCC1)NC(=O)c1c([O-])cccc1F ZINC000928645523 620308152 /nfs/dbraw/zinc/30/81/52/620308152.db2.gz YHQMKURXEDJKOM-NSHDSACASA-N -1 1 296.342 1.372 20 0 CDADMM O=C([O-])[C@H]1CN(C(=O)CN2CCCC2)c2ccccc21 ZINC000909579287 620454426 /nfs/dbraw/zinc/45/44/26/620454426.db2.gz BVHSMYALVWPCTF-LBPRGKRZSA-N -1 1 274.320 1.297 20 0 CDADMM CN1CCC[C@@H]1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000909600401 620491318 /nfs/dbraw/zinc/49/13/18/620491318.db2.gz NUSNUXMVEYJZHT-CJNGLKHVSA-N -1 1 290.363 1.239 20 0 CDADMM CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000909638096 620530439 /nfs/dbraw/zinc/53/04/39/620530439.db2.gz NLMWSNWOQDKFKI-ZYHUDNBSSA-N -1 1 296.392 1.863 20 0 CDADMM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)CN(C)CCc1ccccc1 ZINC000909650628 620546125 /nfs/dbraw/zinc/54/61/25/620546125.db2.gz IESOPFDHKSYOQP-OLZOCXBDSA-N -1 1 292.379 1.386 20 0 CDADMM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)c1ccc2cncn2c1 ZINC000909652782 620566503 /nfs/dbraw/zinc/56/65/03/620566503.db2.gz RMBIIGGHJGNDFQ-BDAKNGLRSA-N -1 1 261.281 1.173 20 0 CDADMM CC[C@H](CNC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C)C(=O)[O-] ZINC000902843422 625501603 /nfs/dbraw/zinc/50/16/03/625501603.db2.gz QWTFAFCALKLSQQ-YGOYTEALSA-N -1 1 279.340 1.303 20 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IFNOQPHFYYIPMH-GFCCVEGCSA-N -1 1 299.330 1.624 20 0 CDADMM Cc1[n-]n(-c2ncnc3c2cnn3C)c(=O)c1C(C)C ZINC000899347249 622195294 /nfs/dbraw/zinc/19/52/94/622195294.db2.gz NYPHBZQOTDNKBJ-JTQLQIEISA-N -1 1 272.312 1.358 20 0 CDADMM O=C(Nc1nccs1)c1cnc(C2CC2)[n-]c1=O ZINC000900020191 622648064 /nfs/dbraw/zinc/64/80/64/622648064.db2.gz ANJUORCATMBYTB-UHFFFAOYSA-N -1 1 262.294 1.768 20 0 CDADMM O=C([O-])c1ccc(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1 ZINC000901440542 624251885 /nfs/dbraw/zinc/25/18/85/624251885.db2.gz VVCUXNRGOZILLS-VXGBXAGGSA-N -1 1 285.303 1.528 20 0 CDADMM O=C([O-])[C@@H]1CCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000901441555 624252940 /nfs/dbraw/zinc/25/29/40/624252940.db2.gz KAXJUZTZYBFVIQ-MRVPVSSYSA-N -1 1 259.265 1.110 20 0 CDADMM CC(C)C[C@@H](NC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C)C(=O)[O-] ZINC000901458882 624276990 /nfs/dbraw/zinc/27/69/90/624276990.db2.gz BUOTUXUJIPADGS-BIMULSAOSA-N -1 1 293.367 1.691 20 0 CDADMM CC(C)N(CC(=O)[O-])C(=O)CN(C)CCc1ccccc1 ZINC000901561134 624337924 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ZINC001604314193 1163146084 /nfs/dbraw/zinc/14/60/84/1163146084.db2.gz HRXUEOXTJASIAM-QMMMGPOBSA-N -1 1 289.291 1.315 20 0 CDADMM C[C@H](NCc1ccc(OCC(=O)[O-])cc1)c1ccnn1C ZINC001604346350 1163161786 /nfs/dbraw/zinc/16/17/86/1163161786.db2.gz DOZFPQLDFZGXKQ-NSHDSACASA-N -1 1 289.335 1.734 20 0 CDADMM C[C@H](Oc1ccccc1CN1CCCOCC1)C(=O)[O-] ZINC001604443388 1163189856 /nfs/dbraw/zinc/18/98/56/1163189856.db2.gz NULJHAKGQPSFQR-LBPRGKRZSA-N -1 1 279.336 1.761 20 0 CDADMM C[C@H](c1csnn1)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001604475421 1163195535 /nfs/dbraw/zinc/19/55/35/1163195535.db2.gz JJQAVZLGQLVKRU-UISBYWKRSA-N -1 1 267.354 1.928 20 0 CDADMM C[C@@H](c1nc(C(=O)[O-])co1)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001604477905 1163197517 /nfs/dbraw/zinc/19/75/17/1163197517.db2.gz QMGJVFCHWRACCT-ZRUFSTJUSA-N -1 1 280.324 1.527 20 0 CDADMM CCc1nc(CNc2ccc(C)c(-c3nnn[n-]3)n2)co1 ZINC001604557326 1163228747 /nfs/dbraw/zinc/22/87/47/1163228747.db2.gz MOCWAKMLVHBONV-UHFFFAOYSA-N -1 1 285.311 1.733 20 0 CDADMM CCc1nc(CNc2ccc(C)c(-c3nn[n-]n3)n2)co1 ZINC001604557326 1163228752 /nfs/dbraw/zinc/22/87/52/1163228752.db2.gz MOCWAKMLVHBONV-UHFFFAOYSA-N -1 1 285.311 1.733 20 0 CDADMM CCc1nccc(Oc2ccc(F)nc2-c2nn[n-]n2)n1 ZINC001604575832 1163234661 /nfs/dbraw/zinc/23/46/61/1163234661.db2.gz INYARLYNSHESQC-UHFFFAOYSA-N -1 1 287.258 1.546 20 0 CDADMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001604689394 1163283857 /nfs/dbraw/zinc/28/38/57/1163283857.db2.gz IZOSJSMZEUONSC-HQPVMZNJSA-N -1 1 291.351 1.204 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)CCC(F)F ZINC001604790472 1163325977 /nfs/dbraw/zinc/32/59/77/1163325977.db2.gz KTKVQZZEKZNLTD-VIFPVBQESA-N -1 1 278.299 1.039 20 0 CDADMM COC1(c2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)CCC1 ZINC001605020245 1163420132 /nfs/dbraw/zinc/42/01/32/1163420132.db2.gz GPVGFVRUWBEVTL-UHFFFAOYSA-N -1 1 299.294 1.337 20 0 CDADMM COC1(c2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)CCC1 ZINC001605020245 1163420136 /nfs/dbraw/zinc/42/01/36/1163420136.db2.gz GPVGFVRUWBEVTL-UHFFFAOYSA-N -1 1 299.294 1.337 20 0 CDADMM COc1ccc(CCNc2cccc(-c3nnn[n-]3)n2)cn1 ZINC001605273634 1163511111 /nfs/dbraw/zinc/51/11/11/1163511111.db2.gz DGHUISMETMCZJP-UHFFFAOYSA-N -1 1 297.322 1.320 20 0 CDADMM COc1ccc(CCNc2cccc(-c3nn[n-]n3)n2)cn1 ZINC001605273634 1163511115 /nfs/dbraw/zinc/51/11/15/1163511115.db2.gz DGHUISMETMCZJP-UHFFFAOYSA-N -1 1 297.322 1.320 20 0 CDADMM CCN(CC)CC(=O)Nc1cccc(C(=O)[O-])c1N ZINC001605428339 1163561880 /nfs/dbraw/zinc/56/18/80/1163561880.db2.gz PPKBXUFBWLHWFX-UHFFFAOYSA-N -1 1 265.313 1.247 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](O)CC(C)(C)C2)c1 ZINC001605557249 1163607595 /nfs/dbraw/zinc/60/75/95/1163607595.db2.gz JCYDDSMDLMUZDA-SNVBAGLBSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](O)CC(C)(C)C2)c1 ZINC001605557249 1163607597 /nfs/dbraw/zinc/60/75/97/1163607597.db2.gz JCYDDSMDLMUZDA-SNVBAGLBSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]2C(C)(C)C)n1 ZINC001605560116 1163609659 /nfs/dbraw/zinc/60/96/59/1163609659.db2.gz PUZNMOQCFAQIKT-JTQLQIEISA-N -1 1 273.344 1.590 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]2C(C)(C)C)n1 ZINC001605560116 1163609664 /nfs/dbraw/zinc/60/96/64/1163609664.db2.gz PUZNMOQCFAQIKT-JTQLQIEISA-N -1 1 273.344 1.590 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](C)C[C@@H](C)C2)n1 ZINC001605564371 1163611136 /nfs/dbraw/zinc/61/11/36/1163611136.db2.gz VUZMYDHQMGTZOM-NXEZZACHSA-N -1 1 287.371 1.838 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](C)C[C@@H](C)C2)n1 ZINC001605564371 1163611138 /nfs/dbraw/zinc/61/11/38/1163611138.db2.gz VUZMYDHQMGTZOM-NXEZZACHSA-N -1 1 287.371 1.838 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H]([C@H](C)O)C2)c1 ZINC001605560988 1163611301 /nfs/dbraw/zinc/61/13/01/1163611301.db2.gz NJPNHAPXNMJUTA-QWRGUYRKSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H]([C@H](C)O)C2)c1 ZINC001605560988 1163611304 /nfs/dbraw/zinc/61/13/04/1163611304.db2.gz NJPNHAPXNMJUTA-QWRGUYRKSA-N -1 1 288.355 1.167 20 0 CDADMM CCOC(=O)c1cccc(CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)n1 ZINC001605574027 1163612655 /nfs/dbraw/zinc/61/26/55/1163612655.db2.gz GWOOGWFCCUDPHA-PJXYFTJBSA-N -1 1 290.319 1.021 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CSC[C@H]2C)n1 ZINC001605572175 1163613107 /nfs/dbraw/zinc/61/31/07/1163613107.db2.gz DWKZPBMTZGRICS-HZGVNTEJSA-N -1 1 277.357 1.129 20 0 CDADMM Cc1cc(CNc2n[nH]cc2-c2nnn[n-]2)c(C)o1 ZINC001605661278 1163636461 /nfs/dbraw/zinc/63/64/61/1163636461.db2.gz VDTYVAPEPSEWJU-UHFFFAOYSA-N -1 1 259.273 1.412 20 0 CDADMM Cc1cc(CNc2n[nH]cc2-c2nn[n-]n2)c(C)o1 ZINC001605661278 1163636464 /nfs/dbraw/zinc/63/64/64/1163636464.db2.gz VDTYVAPEPSEWJU-UHFFFAOYSA-N -1 1 259.273 1.412 20 0 CDADMM Cc1cc(N[C@@H]2CCCn3nccc32)nc(-c2nnn[n-]2)c1 ZINC001605724260 1163652493 /nfs/dbraw/zinc/65/24/93/1163652493.db2.gz GKWSQELCPRRKPK-SNVBAGLBSA-N -1 1 296.338 1.714 20 0 CDADMM Cc1cc(N[C@@H]2CCCn3nccc32)nc(-c2nn[n-]n2)c1 ZINC001605724260 1163652499 /nfs/dbraw/zinc/65/24/99/1163652499.db2.gz GKWSQELCPRRKPK-SNVBAGLBSA-N -1 1 296.338 1.714 20 0 CDADMM Cc1cc(NC[C@H](C)C[C@H](C)O)cc(-c2nnn[n-]2)n1 ZINC001605727122 1163654193 /nfs/dbraw/zinc/65/41/93/1163654193.db2.gz PVXHPWSBQCYCKJ-SCZZXKLOSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1cc(NC[C@H](C)C[C@H](C)O)cc(-c2nn[n-]n2)n1 ZINC001605727122 1163654195 /nfs/dbraw/zinc/65/41/95/1163654195.db2.gz PVXHPWSBQCYCKJ-SCZZXKLOSA-N -1 1 276.344 1.389 20 0 CDADMM CCc1ccc(CN(C)[C@H](C)C(=O)NCC(=O)[O-])cc1 ZINC001605812603 1163678598 /nfs/dbraw/zinc/67/85/98/1163678598.db2.gz KFIYQWXVXZADJU-LLVKDONJSA-N -1 1 278.352 1.270 20 0 CDADMM CCc1nc([C@H](C)Sc2nc(C(=O)[O-])c[nH]2)n[nH]1 ZINC001605842135 1163685299 /nfs/dbraw/zinc/68/52/99/1163685299.db2.gz DBFHCMJBAACGGO-YFKPBYRVSA-N -1 1 267.314 1.642 20 0 CDADMM Cc1ccc(COc2cnc(-c3nn[n-]n3)nc2)cc1 ZINC001605858524 1163692653 /nfs/dbraw/zinc/69/26/53/1163692653.db2.gz FHTVDKFRZYQXAX-UHFFFAOYSA-N -1 1 268.280 1.544 20 0 CDADMM Cc1ccc(N2CC[C@H]3COC[C@@H]3C2)nc1-c1nnn[n-]1 ZINC001605865284 1163695884 /nfs/dbraw/zinc/69/58/84/1163695884.db2.gz UYJDFOSILJQQHA-QWRGUYRKSA-N -1 1 286.339 1.043 20 0 CDADMM Cc1ccc(N2CC[C@H]3COC[C@@H]3C2)nc1-c1nn[n-]n1 ZINC001605865284 1163695886 /nfs/dbraw/zinc/69/58/86/1163695886.db2.gz UYJDFOSILJQQHA-QWRGUYRKSA-N -1 1 286.339 1.043 20 0 CDADMM Cc1ccc(N[C@H]2CO[C@@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001605872609 1163700756 /nfs/dbraw/zinc/70/07/56/1163700756.db2.gz ZCRVQDRNSRXGJM-DTWKUNHWSA-N -1 1 260.301 1.159 20 0 CDADMM Cc1ccc(N[C@H]2CO[C@@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001605872609 1163700762 /nfs/dbraw/zinc/70/07/62/1163700762.db2.gz ZCRVQDRNSRXGJM-DTWKUNHWSA-N -1 1 260.301 1.159 20 0 CDADMM Cc1ccc(NCCCCCO)nc1-c1nnn[n-]1 ZINC001605873744 1163703002 /nfs/dbraw/zinc/70/30/02/1163703002.db2.gz HVDCXMXTIYANKX-UHFFFAOYSA-N -1 1 262.317 1.145 20 0 CDADMM Cc1ccc(NCCCCCO)nc1-c1nn[n-]n1 ZINC001605873744 1163703013 /nfs/dbraw/zinc/70/30/13/1163703013.db2.gz HVDCXMXTIYANKX-UHFFFAOYSA-N -1 1 262.317 1.145 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ncccc1C ZINC001605947782 1163723870 /nfs/dbraw/zinc/72/38/70/1163723870.db2.gz FANNOBDUFSBITD-UHFFFAOYSA-N -1 1 284.279 1.724 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ncccc1C ZINC001605947782 1163723876 /nfs/dbraw/zinc/72/38/76/1163723876.db2.gz FANNOBDUFSBITD-UHFFFAOYSA-N -1 1 284.279 1.724 20 0 CDADMM Cc1[nH]nc(NCc2ccc3c(c2)CCO3)c1-c1nnn[n-]1 ZINC001606013566 1163743394 /nfs/dbraw/zinc/74/33/94/1163743394.db2.gz BTFWCQSALSLVRM-UHFFFAOYSA-N -1 1 297.322 1.445 20 0 CDADMM Cc1[nH]nc(NCc2ccc3c(c2)CCO3)c1-c1nn[n-]n1 ZINC001606013566 1163743400 /nfs/dbraw/zinc/74/34/00/1163743400.db2.gz BTFWCQSALSLVRM-UHFFFAOYSA-N -1 1 297.322 1.445 20 0 CDADMM Cc1[nH]nc(NC(=O)Cc2ccccc2)c1-c1nn[n-]n1 ZINC001606013714 1163744395 /nfs/dbraw/zinc/74/43/95/1163744395.db2.gz WIVJFVJTCXMETC-UHFFFAOYSA-N -1 1 283.295 1.079 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2C3CCCC2CCC3)n1 ZINC001606019330 1163745515 /nfs/dbraw/zinc/74/55/15/1163745515.db2.gz FAOIZVHIJCZQFQ-UHFFFAOYSA-N -1 1 285.355 1.877 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2C3CCCC2CCC3)n1 ZINC001606019330 1163745520 /nfs/dbraw/zinc/74/55/20/1163745520.db2.gz FAOIZVHIJCZQFQ-UHFFFAOYSA-N -1 1 285.355 1.877 20 0 CDADMM CN(CC(=O)Nc1nccs1)C(C)(C)CC(=O)[O-] ZINC001606084509 1163768111 /nfs/dbraw/zinc/76/81/11/1163768111.db2.gz JVYXKFSBYNWVQG-UHFFFAOYSA-N -1 1 271.342 1.267 20 0 CDADMM Cc1nsc(N2CCc3ncccc3C2)c1-c1nn[n-]n1 ZINC001606147908 1163786442 /nfs/dbraw/zinc/78/64/42/1163786442.db2.gz BVPIPJJJSFPHGV-UHFFFAOYSA-N -1 1 299.363 1.589 20 0 CDADMM Cc1nsc(NC(=O)N[C@@H]2C[C@H]2C)c1-c1nnn[n-]1 ZINC001606150988 1163789191 /nfs/dbraw/zinc/78/91/91/1163789191.db2.gz LCXWMCKCRNOIAE-INEUFUBQSA-N -1 1 279.329 1.162 20 0 CDADMM Cc1nsc(NC(=O)N[C@@H]2C[C@H]2C)c1-c1nn[n-]n1 ZINC001606150988 1163789194 /nfs/dbraw/zinc/78/91/94/1163789194.db2.gz LCXWMCKCRNOIAE-INEUFUBQSA-N -1 1 279.329 1.162 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@]12C[C@H]1CCC2 ZINC001606169288 1163797224 /nfs/dbraw/zinc/79/72/24/1163797224.db2.gz QYOLPYNMVLQWJR-OTYXRUKQSA-N -1 1 287.323 1.688 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@]12C[C@H]1CCC2 ZINC001606169288 1163797233 /nfs/dbraw/zinc/79/72/33/1163797233.db2.gz QYOLPYNMVLQWJR-OTYXRUKQSA-N -1 1 287.323 1.688 20 0 CDADMM Clc1nc(N[C@H]2[C@@H]3COC[C@@H]32)sc1-c1nnn[n-]1 ZINC001606199367 1163805769 /nfs/dbraw/zinc/80/57/69/1163805769.db2.gz FTISWRUCQVXXLQ-SCDXWVJYSA-N -1 1 284.732 1.033 20 0 CDADMM Clc1nc(N[C@H]2[C@@H]3COC[C@@H]32)sc1-c1nn[n-]n1 ZINC001606199367 1163805773 /nfs/dbraw/zinc/80/57/73/1163805773.db2.gz FTISWRUCQVXXLQ-SCDXWVJYSA-N -1 1 284.732 1.033 20 0 CDADMM CN1CCN(C[C@@H]2[C@H](C(=O)[O-])C2(F)F)Cc2cccnc21 ZINC001606239880 1163825128 /nfs/dbraw/zinc/82/51/28/1163825128.db2.gz ZCCMERYADFDXNM-GHMZBOCLSA-N -1 1 297.305 1.299 20 0 CDADMM FC(F)(F)c1cccc(Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC001606294027 1163839964 /nfs/dbraw/zinc/83/99/64/1163839964.db2.gz XZIWUBSLTSLXHI-UHFFFAOYSA-N -1 1 295.228 1.525 20 0 CDADMM FC1(F)CCC[C@@H](Nc2ncncc2-c2nn[n-]n2)C1 ZINC001606299932 1163845070 /nfs/dbraw/zinc/84/50/70/1163845070.db2.gz MJJFWRADFXNGQB-SSDOTTSWSA-N -1 1 281.270 1.647 20 0 CDADMM FC1(F)CC[C@H](Cn2ccn3ncc(-c4nn[n-]n4)c23)C1 ZINC001606301004 1163845772 /nfs/dbraw/zinc/84/57/72/1163845772.db2.gz KQSSJVUHNODIMN-QMMMGPOBSA-N -1 1 293.281 1.751 20 0 CDADMM COC(=O)CC1(NCc2cc(C(=O)[O-])co2)CCC1 ZINC001606445572 1163902864 /nfs/dbraw/zinc/90/28/64/1163902864.db2.gz MQDUAYBRVULDTN-UHFFFAOYSA-N -1 1 267.281 1.553 20 0 CDADMM O=C(N[C@@H]1CC12CCC2)c1ccc(-c2nnn[n-]2)o1 ZINC001606653941 1163947547 /nfs/dbraw/zinc/94/75/47/1163947547.db2.gz VORBATDRITWRKD-SECBINFHSA-N -1 1 259.269 1.132 20 0 CDADMM O=C(N[C@@H]1CC12CCC2)c1ccc(-c2nn[n-]n2)o1 ZINC001606653941 1163947554 /nfs/dbraw/zinc/94/75/54/1163947554.db2.gz VORBATDRITWRKD-SECBINFHSA-N -1 1 259.269 1.132 20 0 CDADMM O=C(NCCCCF)c1ccc(-c2nnn[n-]2)s1 ZINC001606766844 1163987670 /nfs/dbraw/zinc/98/76/70/1163987670.db2.gz QMMJCCHJRQJFJG-UHFFFAOYSA-N -1 1 269.305 1.408 20 0 CDADMM O=C(NCCCCF)c1ccc(-c2nn[n-]n2)s1 ZINC001606766844 1163987673 /nfs/dbraw/zinc/98/76/73/1163987673.db2.gz QMMJCCHJRQJFJG-UHFFFAOYSA-N -1 1 269.305 1.408 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1(C2CC2)CC1 ZINC001606897675 1164027094 /nfs/dbraw/zinc/02/70/94/1164027094.db2.gz JTUYKLMFJVVELB-UHFFFAOYSA-N -1 1 285.307 1.701 20 0 CDADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)[C@H]1CCSC1 ZINC001606984918 1164049555 /nfs/dbraw/zinc/04/95/55/1164049555.db2.gz DFEGUAKEEUFZRD-LURJTMIESA-N -1 1 297.365 1.120 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC001607016948 1164061157 /nfs/dbraw/zinc/06/11/57/1164061157.db2.gz IOFBPSCHRVTMCX-LBPRGKRZSA-N -1 1 299.334 1.864 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC001607016948 1164061163 /nfs/dbraw/zinc/06/11/63/1164061163.db2.gz IOFBPSCHRVTMCX-LBPRGKRZSA-N -1 1 299.334 1.864 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@H]2C[C@H]21 ZINC001607033509 1164064542 /nfs/dbraw/zinc/06/45/42/1164064542.db2.gz UDMXPSIRBLLWSZ-IONNQARKSA-N -1 1 259.269 1.084 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@H]2C[C@H]21 ZINC001607033509 1164064547 /nfs/dbraw/zinc/06/45/47/1164064547.db2.gz UDMXPSIRBLLWSZ-IONNQARKSA-N -1 1 259.269 1.084 20 0 CDADMM c1cncc(CSc2cccnc2-c2nn[n-]n2)c1 ZINC001607135561 1164114483 /nfs/dbraw/zinc/11/44/83/1164114483.db2.gz KAIHEDLBOSNSTD-UHFFFAOYSA-N -1 1 270.321 1.949 20 0 CDADMM c1cncc(CSc2cccnc2-c2nnn[n-]2)c1 ZINC001607135561 1164114478 /nfs/dbraw/zinc/11/44/78/1164114478.db2.gz KAIHEDLBOSNSTD-UHFFFAOYSA-N -1 1 270.321 1.949 20 0 CDADMM c1coc(-c2noc(-c3ccnc(-c4nnn[n-]4)c3)n2)c1 ZINC001607135459 1164114905 /nfs/dbraw/zinc/11/49/05/1164114905.db2.gz DSGCSRWRQPHCFH-UHFFFAOYSA-N -1 1 281.235 1.572 20 0 CDADMM c1coc(-c2noc(-c3ccnc(-c4nn[n-]n4)c3)n2)c1 ZINC001607135459 1164114907 /nfs/dbraw/zinc/11/49/07/1164114907.db2.gz DSGCSRWRQPHCFH-UHFFFAOYSA-N -1 1 281.235 1.572 20 0 CDADMM c1ncc(N2CC[C@@H]2C2CCCC2)nc1-c1nnn[n-]1 ZINC001607138859 1164119804 /nfs/dbraw/zinc/11/98/04/1164119804.db2.gz MTISYTNBJAJCJL-LLVKDONJSA-N -1 1 271.328 1.426 20 0 CDADMM c1ncc(N2CC[C@@H]2C2CCCC2)nc1-c1nn[n-]n1 ZINC001607138859 1164119810 /nfs/dbraw/zinc/11/98/10/1164119810.db2.gz MTISYTNBJAJCJL-LLVKDONJSA-N -1 1 271.328 1.426 20 0 CDADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1ccncc1 ZINC000345481319 1164341873 /nfs/dbraw/zinc/34/18/73/1164341873.db2.gz UTWBVFKAVMJLBP-UHFFFAOYSA-N -1 1 296.290 1.426 20 0 CDADMM Cc1nnsc1CN1CCSC[C@H](C(=O)[O-])C1 ZINC001608018330 1164378561 /nfs/dbraw/zinc/37/85/61/1164378561.db2.gz DNOCDULTOPDDAX-MRVPVSSYSA-N -1 1 273.383 1.096 20 0 CDADMM O=C([O-])[C@@H](F)CNC(=O)c1ccc(Cl)c(O)c1 ZINC001608457110 1164519727 /nfs/dbraw/zinc/51/97/27/1164519727.db2.gz SNKTXLFZZTZGBL-ZETCQYMHSA-N -1 1 261.636 1.198 20 0 CDADMM O=C([O-])C1(CS(=O)(=O)N[C@@H]2CCCC2(F)F)CCC1 ZINC001608574194 1164551681 /nfs/dbraw/zinc/55/16/81/1164551681.db2.gz WOHBRBUIZKQIHI-MRVPVSSYSA-N -1 1 297.323 1.349 20 0 CDADMM O=C([O-])C1=NO[C@]2(CCN(CCOCC3CCCC3)C2)C1 ZINC001608589874 1164559587 /nfs/dbraw/zinc/55/95/87/1164559587.db2.gz UMQFCALYLQIVCU-OAHLLOKOSA-N -1 1 296.367 1.499 20 0 CDADMM O=C([O-])c1cc(CN2CC[C@@]3(O)C[C@H]3C2)n2c1CCCC2 ZINC001608842298 1164659503 /nfs/dbraw/zinc/65/95/03/1164659503.db2.gz ISMSULYOBNMMMC-MEDUHNTESA-N -1 1 290.363 1.479 20 0 CDADMM O=C([O-])c1cncc(CN2CCC[C@H]3COCC[C@H]32)c1 ZINC001608980802 1164703139 /nfs/dbraw/zinc/70/31/39/1164703139.db2.gz PSQDHRKRLAESIX-GXTWGEPZSA-N -1 1 276.336 1.781 20 0 CDADMM O=C([O-])c1cc(CN2CCC3(COC(=O)N3)CC2)cs1 ZINC001609044478 1164738818 /nfs/dbraw/zinc/73/88/18/1164738818.db2.gz VXPSOQULHCWZJJ-UHFFFAOYSA-N -1 1 296.348 1.521 20 0 CDADMM CC(C)CCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609094540 1164768023 /nfs/dbraw/zinc/76/80/23/1164768023.db2.gz GDQIRQNVMGYVCL-UHFFFAOYSA-N -1 1 299.356 1.126 20 0 CDADMM C[C@@H](CCCO)CNc1cccnc1-c1nnn[n-]1 ZINC001609110493 1164773307 /nfs/dbraw/zinc/77/33/07/1164773307.db2.gz UBYBTDMZLGJVDE-VIFPVBQESA-N -1 1 262.317 1.082 20 0 CDADMM C[C@@H](CCCO)CNc1cccnc1-c1nn[n-]n1 ZINC001609110493 1164773313 /nfs/dbraw/zinc/77/33/13/1164773313.db2.gz UBYBTDMZLGJVDE-VIFPVBQESA-N -1 1 262.317 1.082 20 0 CDADMM C[C@H](CN(C)c1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001609112265 1164775170 /nfs/dbraw/zinc/77/51/70/1164775170.db2.gz ZCOYJFZIULQTHZ-LLVKDONJSA-N -1 1 295.350 1.897 20 0 CDADMM C[C@H](CN(C)c1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001609112265 1164775180 /nfs/dbraw/zinc/77/51/80/1164775180.db2.gz ZCOYJFZIULQTHZ-LLVKDONJSA-N -1 1 295.350 1.897 20 0 CDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)C1CC1 ZINC001609132105 1164786807 /nfs/dbraw/zinc/78/68/07/1164786807.db2.gz IWESBIXEJNALLA-ZCFIWIBFSA-N -1 1 292.320 1.453 20 0 CDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)C1CC1 ZINC001609132105 1164786816 /nfs/dbraw/zinc/78/68/16/1164786816.db2.gz IWESBIXEJNALLA-ZCFIWIBFSA-N -1 1 292.320 1.453 20 0 CDADMM CC1(C)CC(CNC(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001609143960 1164790602 /nfs/dbraw/zinc/79/06/02/1164790602.db2.gz CSJSCADDADMJJD-UHFFFAOYSA-N -1 1 275.312 1.626 20 0 CDADMM CC1(C)CC(CNC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001609143960 1164790612 /nfs/dbraw/zinc/79/06/12/1164790612.db2.gz CSJSCADDADMJJD-UHFFFAOYSA-N -1 1 275.312 1.626 20 0 CDADMM C[C@@H]1CC(Nc2cncc(-c3nnn[n-]3)n2)C[C@@H](C)C1 ZINC001609154130 1164802251 /nfs/dbraw/zinc/80/22/51/1164802251.db2.gz KGPFHYWBNQQFQQ-IUCAKERBSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CC(Nc2cncc(-c3nn[n-]n3)n2)C[C@@H](C)C1 ZINC001609154130 1164802255 /nfs/dbraw/zinc/80/22/55/1164802255.db2.gz KGPFHYWBNQQFQQ-IUCAKERBSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CCCC[C@H]1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609165459 1164810064 /nfs/dbraw/zinc/81/00/64/1164810064.db2.gz NPEYVLSFUCNOEW-MWLCHTKSSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@@H]1CCCC[C@H]1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609165459 1164810068 /nfs/dbraw/zinc/81/00/68/1164810068.db2.gz NPEYVLSFUCNOEW-MWLCHTKSSA-N -1 1 286.339 1.570 20 0 CDADMM CCc1ccc(CN(C)c2ncncc2-c2nn[n-]n2)cc1 ZINC001609251695 1164863004 /nfs/dbraw/zinc/86/30/04/1164863004.db2.gz IPYLYAOUQTZCEJ-UHFFFAOYSA-N -1 1 295.350 1.856 20 0 CDADMM O=C(OCCCF)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000867900708 1164879639 /nfs/dbraw/zinc/87/96/39/1164879639.db2.gz ZXXVKPLPCACOFM-UHFFFAOYSA-N -1 1 286.225 1.093 20 0 CDADMM Cc1occc1CN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609391826 1164923132 /nfs/dbraw/zinc/92/31/32/1164923132.db2.gz WMUJKZICVRDOOF-UHFFFAOYSA-N -1 1 285.311 1.503 20 0 CDADMM Cc1occc1CN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609391826 1164923138 /nfs/dbraw/zinc/92/31/38/1164923138.db2.gz WMUJKZICVRDOOF-UHFFFAOYSA-N -1 1 285.311 1.503 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(Sc2ncco2)n1 ZINC001609393101 1164925592 /nfs/dbraw/zinc/92/55/92/1164925592.db2.gz ZFLKKXZBRBAMSQ-UHFFFAOYSA-N -1 1 261.270 1.104 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(Sc2ncco2)n1 ZINC001609393101 1164925597 /nfs/dbraw/zinc/92/55/97/1164925597.db2.gz ZFLKKXZBRBAMSQ-UHFFFAOYSA-N -1 1 261.270 1.104 20 0 CDADMM Cc1cc(O)ccc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609410552 1164936509 /nfs/dbraw/zinc/93/65/09/1164936509.db2.gz ZEAFHHNKVDXJFZ-UHFFFAOYSA-N -1 1 296.290 1.528 20 0 CDADMM Cc1cc(O)ccc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609410552 1164936515 /nfs/dbraw/zinc/93/65/15/1164936515.db2.gz ZEAFHHNKVDXJFZ-UHFFFAOYSA-N -1 1 296.290 1.528 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1cccc(O)c1 ZINC001609467617 1164965542 /nfs/dbraw/zinc/96/55/42/1164965542.db2.gz NCCZDANRILTINL-UHFFFAOYSA-N -1 1 299.290 1.404 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1cccc(O)c1 ZINC001609467617 1164965546 /nfs/dbraw/zinc/96/55/46/1164965546.db2.gz NCCZDANRILTINL-UHFFFAOYSA-N -1 1 299.290 1.404 20 0 CDADMM O=C1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001609588932 1164998865 /nfs/dbraw/zinc/99/88/65/1164998865.db2.gz TYNCXRBXERUFNN-UHFFFAOYSA-N -1 1 284.732 1.146 20 0 CDADMM O=C1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001609588932 1164998872 /nfs/dbraw/zinc/99/88/72/1164998872.db2.gz TYNCXRBXERUFNN-UHFFFAOYSA-N -1 1 284.732 1.146 20 0 CDADMM O=c1c(-c2nn[n-]n2)c2c(cn1CC1CCC1)CCC2 ZINC001609604384 1165001963 /nfs/dbraw/zinc/00/19/63/1165001963.db2.gz LZOKORDBZHBVAH-UHFFFAOYSA-N -1 1 271.324 1.317 20 0 CDADMM OCCCCCCOc1ccc(F)nc1-c1nnn[n-]1 ZINC001609609783 1165003562 /nfs/dbraw/zinc/00/35/62/1165003562.db2.gz QLKKUEYXRYTARF-UHFFFAOYSA-N -1 1 281.291 1.332 20 0 CDADMM OCCCCCCOc1ccc(F)nc1-c1nn[n-]n1 ZINC001609609783 1165003565 /nfs/dbraw/zinc/00/35/65/1165003565.db2.gz QLKKUEYXRYTARF-UHFFFAOYSA-N -1 1 281.291 1.332 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OCC[C@H]2CCCO2)c1 ZINC001609619223 1165014481 /nfs/dbraw/zinc/01/44/81/1165014481.db2.gz KUXXIFKQRKMFPV-SECBINFHSA-N -1 1 261.285 1.210 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OCC[C@H]2CCCO2)c1 ZINC001609619223 1165014489 /nfs/dbraw/zinc/01/44/89/1165014489.db2.gz KUXXIFKQRKMFPV-SECBINFHSA-N -1 1 261.285 1.210 20 0 CDADMM c1ccc2oc(COc3cnc(-c4nn[n-]n4)nc3)nc2c1 ZINC001609618841 1165015413 /nfs/dbraw/zinc/01/54/13/1165015413.db2.gz ROGCHJFTRCYCMJ-UHFFFAOYSA-N -1 1 295.262 1.377 20 0 CDADMM CC(C)C(=O)NCCN[C@H](C)c1cc(C(=O)[O-])co1 ZINC001609682858 1165038959 /nfs/dbraw/zinc/03/89/59/1165038959.db2.gz QYSYOZMYEXNMAI-SECBINFHSA-N -1 1 268.313 1.401 20 0 CDADMM COc1ccc([C@@H](NC2CSC2)C(=O)[O-])c(OC)c1 ZINC001610327328 1165290106 /nfs/dbraw/zinc/29/01/06/1165290106.db2.gz PBWPERKNSZTXGT-GFCCVEGCSA-N -1 1 283.349 1.535 20 0 CDADMM O=C([O-])[C@H]1CCC[C@@H]1NCc1nc(-c2ccccn2)no1 ZINC001610742703 1165424697 /nfs/dbraw/zinc/42/46/97/1165424697.db2.gz RPGOWNNDPGWXEB-UWVGGRQHSA-N -1 1 288.307 1.475 20 0 CDADMM O=C([O-])Cc1cccc(NC(=O)c2cccc3cn[nH]c32)n1 ZINC001610796519 1165445869 /nfs/dbraw/zinc/44/58/69/1165445869.db2.gz VWRXCBHORUXEOX-UHFFFAOYSA-N -1 1 296.286 1.837 20 0 CDADMM O=C([O-])c1occc1CN1CCC[C@H](n2ccnn2)C1 ZINC001610872440 1165470526 /nfs/dbraw/zinc/47/05/26/1165470526.db2.gz BUOLEJBESCBBIC-NSHDSACASA-N -1 1 276.296 1.406 20 0 CDADMM O=C(Nc1cnccc1CO)c1ccc(F)c([O-])c1 ZINC001623076602 1165747479 /nfs/dbraw/zinc/74/74/79/1165747479.db2.gz AHHLEBVNUKNIBJ-UHFFFAOYSA-N -1 1 262.240 1.671 20 0 CDADMM O=C(NCCc1nncs1)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155273119 1167113099 /nfs/dbraw/zinc/11/30/99/1167113099.db2.gz JGDOICSLKFUBCX-UHFFFAOYSA-N -1 1 289.320 1.093 20 0 CDADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccn2ncnc2c1 ZINC001155578737 1167238524 /nfs/dbraw/zinc/23/85/24/1167238524.db2.gz GIUHPRWLHXJYHJ-UHFFFAOYSA-N -1 1 297.200 1.119 20 0 CDADMM Cn1cc(CN2CCS[C@H]3CCCC[C@H]32)c(C(=O)[O-])n1 ZINC001646226294 1167706565 /nfs/dbraw/zinc/70/65/65/1167706565.db2.gz CXQZOMMCBJDZPM-NEPJUHHUSA-N -1 1 295.408 1.978 20 0 CDADMM CNc1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cn1 ZINC001646749571 1168091087 /nfs/dbraw/zinc/09/10/87/1168091087.db2.gz RKOFYJXZZHMECL-UHFFFAOYSA-N -1 1 285.307 1.749 20 0 CDADMM O=C([O-])C[C@H]1COCCN1CCC1SCCS1 ZINC001647548643 1168808732 /nfs/dbraw/zinc/80/87/32/1168808732.db2.gz VPPNWYMHKWABMS-VIFPVBQESA-N -1 1 277.411 1.358 20 0 CDADMM C[C@H]([NH2+]CC(C)(C)CC(=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001573571626 1170695495 /nfs/dbraw/zinc/69/54/95/1170695495.db2.gz KAAHCXMWKOAHLB-LURJTMIESA-N -1 1 294.277 1.975 20 0 CDADMM Cc1ccc(CN[C@H]2CN(C(=O)[O-])C[C@H]2CO)c(Cl)c1 ZINC001574154907 1170898815 /nfs/dbraw/zinc/89/88/15/1170898815.db2.gz WJZJDTRFDHUQFG-AAEUAGOBSA-N -1 1 298.770 1.709 20 0 CDADMM O=C(c1cccc(Cl)c1[O-])N1CC[C@H](c2nn[nH]n2)C1 ZINC001650582888 1171205428 /nfs/dbraw/zinc/20/54/28/1171205428.db2.gz UBOCZNQZJJYMAW-ZETCQYMHSA-N -1 1 293.714 1.188 20 0 CDADMM O=C(Nc1cnc2ccnn2c1)c1c(F)ccc([O-])c1F ZINC001653631551 1171554756 /nfs/dbraw/zinc/55/47/56/1171554756.db2.gz PYMRWNLQJWTXGH-UHFFFAOYSA-N -1 1 290.229 1.965 20 0 CDADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]C[C@H](O)C1CC1 ZINC000071308190 1171716442 /nfs/dbraw/zinc/71/64/42/1171716442.db2.gz XXZUPZDBICYSTQ-ZETCQYMHSA-N -1 1 296.801 1.154 20 0 CDADMM C[C@H](Cc1ccccc1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001580432021 1172433405 /nfs/dbraw/zinc/43/34/05/1172433405.db2.gz XHZCHXNAQYRPQV-SECBINFHSA-N -1 1 297.322 1.407 20 0 CDADMM C[C@H](Cc1ccccc1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001580432021 1172433413 /nfs/dbraw/zinc/43/34/13/1172433413.db2.gz XHZCHXNAQYRPQV-SECBINFHSA-N -1 1 297.322 1.407 20 0 CDADMM O=C(OCc1nncs1)c1ccsc1-c1nnn[n-]1 ZINC001582655373 1172687413 /nfs/dbraw/zinc/68/74/13/1172687413.db2.gz AVRHEUHDBJCIRV-UHFFFAOYSA-N -1 1 294.321 1.137 20 0 CDADMM O=C(OCc1nncs1)c1ccsc1-c1nn[n-]n1 ZINC001582655373 1172687416 /nfs/dbraw/zinc/68/74/16/1172687416.db2.gz AVRHEUHDBJCIRV-UHFFFAOYSA-N -1 1 294.321 1.137 20 0 CDADMM c1ccc2ncc(Oc3ccnc(-c4nn[n-]n4)n3)cc2c1 ZINC001582818267 1172696765 /nfs/dbraw/zinc/69/67/65/1172696765.db2.gz CSFWQUYGKHZCNT-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM Oc1ccc2c(c1)[C@@H](Nc1nccnc1-c1nnn[n-]1)CC2 ZINC001582817011 1172696777 /nfs/dbraw/zinc/69/67/77/1172696777.db2.gz WYEAHNMYXSRZLC-NSHDSACASA-N -1 1 295.306 1.462 20 0 CDADMM Oc1ccc2c(c1)[C@@H](Nc1nccnc1-c1nn[n-]n1)CC2 ZINC001582817011 1172696780 /nfs/dbraw/zinc/69/67/80/1172696780.db2.gz WYEAHNMYXSRZLC-NSHDSACASA-N -1 1 295.306 1.462 20 0 CDADMM c1c(-c2nn[n-]n2)nnn1Cc1cnc2ccccc2c1 ZINC001582819190 1172696843 /nfs/dbraw/zinc/69/68/43/1172696843.db2.gz PVQNSCNRSKNANM-UHFFFAOYSA-N -1 1 278.279 1.055 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2cnc(C3CC3)nc2)c1[O-] ZINC001584806395 1172853324 /nfs/dbraw/zinc/85/33/24/1172853324.db2.gz MBYPQSDVBUIWEA-UHFFFAOYSA-N -1 1 259.269 1.343 20 0 CDADMM COC(=O)c1nc[nH]c1NC(=O)c1ccsc1C ZINC001587265123 1172978910 /nfs/dbraw/zinc/97/89/10/1172978910.db2.gz HBERVACGNIKQNN-UHFFFAOYSA-N -1 1 265.294 1.819 20 0 CDADMM CC(C)(C)C1CN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589104158 1173124739 /nfs/dbraw/zinc/12/47/39/1173124739.db2.gz ARSHFTZUTRAXSJ-UHFFFAOYSA-N -1 1 259.317 1.139 20 0 CDADMM CC(C)(CCNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001589275899 1173134732 /nfs/dbraw/zinc/13/47/32/1173134732.db2.gz MPMSBNNNCAVGKS-UHFFFAOYSA-N -1 1 273.344 1.895 20 0 CDADMM CC(C)(CCNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001589275899 1173134738 /nfs/dbraw/zinc/13/47/38/1173134738.db2.gz MPMSBNNNCAVGKS-UHFFFAOYSA-N -1 1 273.344 1.895 20 0 CDADMM CC(C)Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001589668381 1173167080 /nfs/dbraw/zinc/16/70/80/1173167080.db2.gz IZTQREHDAUQBFR-UHFFFAOYSA-N -1 1 259.313 1.173 20 0 CDADMM C[C@H](CCO)N(C)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001589835707 1173190920 /nfs/dbraw/zinc/19/09/20/1173190920.db2.gz ZORADNXMYISOIJ-SNVBAGLBSA-N -1 1 298.350 1.622 20 0 CDADMM C[C@H](CCO)N(C)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001589835707 1173190924 /nfs/dbraw/zinc/19/09/24/1173190924.db2.gz ZORADNXMYISOIJ-SNVBAGLBSA-N -1 1 298.350 1.622 20 0 CDADMM C[C@@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)C1CCC1 ZINC001589947218 1173209343 /nfs/dbraw/zinc/20/93/43/1173209343.db2.gz OSMKCBSPIZLJLS-MRVPVSSYSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)C1CCC1 ZINC001589947218 1173209347 /nfs/dbraw/zinc/20/93/47/1173209347.db2.gz OSMKCBSPIZLJLS-MRVPVSSYSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@]1(C(=O)NCc2nc(-c3nnn[n-]3)cs2)C=CCC1 ZINC001590068257 1173243729 /nfs/dbraw/zinc/24/37/29/1173243729.db2.gz FBXWFHOSGWUPEU-LBPRGKRZSA-N -1 1 290.352 1.296 20 0 CDADMM C[C@]1(C(=O)NCc2nc(-c3nn[n-]n3)cs2)C=CCC1 ZINC001590068257 1173243731 /nfs/dbraw/zinc/24/37/31/1173243731.db2.gz FBXWFHOSGWUPEU-LBPRGKRZSA-N -1 1 290.352 1.296 20 0 CDADMM CC1(C)C[C@@H](Nc2ncncc2-c2nn[n-]n2)CCS1 ZINC001590083849 1173248605 /nfs/dbraw/zinc/24/86/05/1173248605.db2.gz LHPBXRSOCYKHDK-QMMMGPOBSA-N -1 1 291.384 1.743 20 0 CDADMM CC1(C)C[C@@H]1C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001590087255 1173252342 /nfs/dbraw/zinc/25/23/42/1173252342.db2.gz WRAITUXBUXGIGK-SECBINFHSA-N -1 1 298.350 1.587 20 0 CDADMM CC1(C)C[C@@H]1C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001590087255 1173252346 /nfs/dbraw/zinc/25/23/46/1173252346.db2.gz WRAITUXBUXGIGK-SECBINFHSA-N -1 1 298.350 1.587 20 0 CDADMM CC1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1(C)C ZINC001590102588 1173256667 /nfs/dbraw/zinc/25/66/67/1173256667.db2.gz SPPWZFVRIZEWMD-UHFFFAOYSA-N -1 1 275.312 1.720 20 0 CDADMM CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1(C)C ZINC001590102588 1173256670 /nfs/dbraw/zinc/25/66/70/1173256670.db2.gz SPPWZFVRIZEWMD-UHFFFAOYSA-N -1 1 275.312 1.720 20 0 CDADMM C[C@]1(c2noc(-c3ccnc(-c4nnn[n-]4)c3)n2)CCCO1 ZINC001590152364 1173275035 /nfs/dbraw/zinc/27/50/35/1173275035.db2.gz IMKVWOOVEVAVTA-CYBMUJFWSA-N -1 1 299.294 1.337 20 0 CDADMM C[C@]1(c2noc(-c3ccnc(-c4nn[n-]n4)c3)n2)CCCO1 ZINC001590152364 1173275038 /nfs/dbraw/zinc/27/50/38/1173275038.db2.gz IMKVWOOVEVAVTA-CYBMUJFWSA-N -1 1 299.294 1.337 20 0 CDADMM CC1=C(C)CN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001590156573 1173276917 /nfs/dbraw/zinc/27/69/17/1173276917.db2.gz HCDJVOWCKSQVBC-UHFFFAOYSA-N -1 1 257.301 1.203 20 0 CDADMM CC1=C(C)CN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001590156573 1173276920 /nfs/dbraw/zinc/27/69/20/1173276920.db2.gz HCDJVOWCKSQVBC-UHFFFAOYSA-N -1 1 257.301 1.203 20 0 CDADMM C[C@@H]1C[C@@H](C(=O)OCc2ccc(-c3nn[n-]n3)s2)CO1 ZINC001590184093 1173281207 /nfs/dbraw/zinc/28/12/07/1173281207.db2.gz DIKDJXVMMSSXQK-HTQZYQBOSA-N -1 1 294.336 1.396 20 0 CDADMM C[C@@H]1C[C@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590187895 1173284353 /nfs/dbraw/zinc/28/43/53/1173284353.db2.gz ABPAQTJDGPXWLI-KNVOCYPGSA-N -1 1 263.326 1.551 20 0 CDADMM C[C@@H]1C[C@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590187895 1173284359 /nfs/dbraw/zinc/28/43/59/1173284359.db2.gz ABPAQTJDGPXWLI-KNVOCYPGSA-N -1 1 263.326 1.551 20 0 CDADMM C[C@@H]1C[C@@H](NC(=O)c2coc(-c3nnn[n-]3)c2)CCS1 ZINC001590202705 1173289491 /nfs/dbraw/zinc/28/94/91/1173289491.db2.gz HKFVWSYUZALJDF-APPZFPTMSA-N -1 1 293.352 1.474 20 0 CDADMM C[C@@H]1C[C@@H](NC(=O)c2coc(-c3nn[n-]n3)c2)CCS1 ZINC001590202705 1173289496 /nfs/dbraw/zinc/28/94/96/1173289496.db2.gz HKFVWSYUZALJDF-APPZFPTMSA-N -1 1 293.352 1.474 20 0 CDADMM C[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001590233315 1173307551 /nfs/dbraw/zinc/30/75/51/1173307551.db2.gz ZMYPAGNUXNOXBN-IUCAKERBSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001590233315 1173307560 /nfs/dbraw/zinc/30/75/60/1173307560.db2.gz ZMYPAGNUXNOXBN-IUCAKERBSA-N -1 1 259.317 1.505 20 0 CDADMM C[C@@H]1CCC[C@@H](OC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590249701 1173321099 /nfs/dbraw/zinc/32/10/99/1173321099.db2.gz CYAAWHIPDGZUAN-MWLCHTKSSA-N -1 1 287.323 1.997 20 0 CDADMM C[C@@H]1CCC[C@@H](OC(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590249701 1173321103 /nfs/dbraw/zinc/32/11/03/1173321103.db2.gz CYAAWHIPDGZUAN-MWLCHTKSSA-N -1 1 287.323 1.997 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccsc2-c2nnn[n-]2)[C@H]1C ZINC001590270433 1173332780 /nfs/dbraw/zinc/33/27/80/1173332780.db2.gz WPDZTDHMDVWERW-YUMQZZPRSA-N -1 1 277.353 1.799 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccsc2-c2nn[n-]n2)[C@H]1C ZINC001590270433 1173332786 /nfs/dbraw/zinc/33/27/86/1173332786.db2.gz WPDZTDHMDVWERW-YUMQZZPRSA-N -1 1 277.353 1.799 20 0 CDADMM C[C@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)[C@H]1C ZINC001590314895 1173353060 /nfs/dbraw/zinc/35/30/60/1173353060.db2.gz WGXAUUPBRKOVDI-IUCAKERBSA-N -1 1 281.323 1.655 20 0 CDADMM C[C@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)[C@H]1C ZINC001590314895 1173353066 /nfs/dbraw/zinc/35/30/66/1173353066.db2.gz WGXAUUPBRKOVDI-IUCAKERBSA-N -1 1 281.323 1.655 20 0 CDADMM C[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC[C@@H]1O ZINC001590314132 1173353074 /nfs/dbraw/zinc/35/30/74/1173353074.db2.gz ZMIQJADHSQEKAS-CBAPKCEASA-N -1 1 294.746 1.122 20 0 CDADMM C[C@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC[C@@H]1O ZINC001590314132 1173353079 /nfs/dbraw/zinc/35/30/79/1173353079.db2.gz ZMIQJADHSQEKAS-CBAPKCEASA-N -1 1 294.746 1.122 20 0 CDADMM C[C@H]1CN=C(NC(=O)c2csc(-c3nn[n-]n3)c2)S1 ZINC001590322318 1173354523 /nfs/dbraw/zinc/35/45/23/1173354523.db2.gz ZWINXFCEJJGEMB-YFKPBYRVSA-N -1 1 294.365 1.149 20 0 CDADMM CC[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)OC ZINC001590447784 1173413879 /nfs/dbraw/zinc/41/38/79/1173413879.db2.gz BNJHSUVZTYZPRS-YFKPBYRVSA-N -1 1 288.764 1.814 20 0 CDADMM CC[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)OC ZINC001590447784 1173413885 /nfs/dbraw/zinc/41/38/85/1173413885.db2.gz BNJHSUVZTYZPRS-YFKPBYRVSA-N -1 1 288.764 1.814 20 0 CDADMM CC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCO1 ZINC001590473553 1173425428 /nfs/dbraw/zinc/42/54/28/1173425428.db2.gz PYJHFVREDYNKAP-WPRPVWTQSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCO1 ZINC001590473553 1173425436 /nfs/dbraw/zinc/42/54/36/1173425436.db2.gz PYJHFVREDYNKAP-WPRPVWTQSA-N -1 1 275.316 1.026 20 0 CDADMM CCC[C@@H](C)N(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590551368 1173458064 /nfs/dbraw/zinc/45/80/64/1173458064.db2.gz YAIBCVLWPZWZJK-SECBINFHSA-N -1 1 261.333 1.590 20 0 CDADMM CCC[C@@H](C)N(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590551368 1173458067 /nfs/dbraw/zinc/45/80/67/1173458067.db2.gz YAIBCVLWPZWZJK-SECBINFHSA-N -1 1 261.333 1.590 20 0 CDADMM CCOC1CC2(C[C@@H]2Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001590796537 1173512687 /nfs/dbraw/zinc/51/26/87/1173512687.db2.gz XBNFUCLYHDUMLR-ZQDGQSPWSA-N -1 1 286.339 1.631 20 0 CDADMM CCOC1CC2(C[C@@H]2Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001590796537 1173512691 /nfs/dbraw/zinc/51/26/91/1173512691.db2.gz XBNFUCLYHDUMLR-ZQDGQSPWSA-N -1 1 286.339 1.631 20 0 CDADMM CCON(CC)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001590818742 1173522172 /nfs/dbraw/zinc/52/21/72/1173522172.db2.gz JUGBVEMYJWMMET-UHFFFAOYSA-N -1 1 268.708 1.693 20 0 CDADMM CCON(CC)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001590818742 1173522170 /nfs/dbraw/zinc/52/21/70/1173522170.db2.gz JUGBVEMYJWMMET-UHFFFAOYSA-N -1 1 268.708 1.693 20 0 CDADMM CCOc1cc(NCc2ccnc(-c3nnn[n-]3)c2)ncn1 ZINC001590828087 1173525632 /nfs/dbraw/zinc/52/56/32/1173525632.db2.gz GELZPVXYQPNMGH-UHFFFAOYSA-N -1 1 298.310 1.063 20 0 CDADMM CCOc1cc(NCc2ccnc(-c3nn[n-]n3)c2)ncn1 ZINC001590828087 1173525637 /nfs/dbraw/zinc/52/56/37/1173525637.db2.gz GELZPVXYQPNMGH-UHFFFAOYSA-N -1 1 298.310 1.063 20 0 CDADMM CCc1cccc(F)c1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001590894490 1173537402 /nfs/dbraw/zinc/53/74/02/1173537402.db2.gz HRNZAOOYGWMAPW-UHFFFAOYSA-N -1 1 287.302 1.903 20 0 CDADMM CCc1cccc(F)c1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001590894490 1173537407 /nfs/dbraw/zinc/53/74/07/1173537407.db2.gz HRNZAOOYGWMAPW-UHFFFAOYSA-N -1 1 287.302 1.903 20 0 CDADMM CCc1cnc(NCc2cccc(-c3nnn[n-]3)n2)s1 ZINC001590901653 1173539004 /nfs/dbraw/zinc/53/90/04/1173539004.db2.gz QCQGWNZOSCLSDA-UHFFFAOYSA-N -1 1 287.352 1.893 20 0 CDADMM CCc1cnc(NCc2cccc(-c3nn[n-]n3)n2)s1 ZINC001590901653 1173539008 /nfs/dbraw/zinc/53/90/08/1173539008.db2.gz QCQGWNZOSCLSDA-UHFFFAOYSA-N -1 1 287.352 1.893 20 0 CDADMM CCc1nc(NCCC(C)(C)F)cc(-c2nnn[n-]2)n1 ZINC001590919574 1173543057 /nfs/dbraw/zinc/54/30/57/1173543057.db2.gz MJUYRLMDNIYEBA-UHFFFAOYSA-N -1 1 279.323 1.769 20 0 CDADMM CCc1nc(NCc2ccc(C)o2)cc(-c2nnn[n-]2)n1 ZINC001590923183 1173543083 /nfs/dbraw/zinc/54/30/83/1173543083.db2.gz XOIPZQJMTQIDCF-UHFFFAOYSA-N -1 1 285.311 1.733 20 0 CDADMM CCc1nc(NCc2ccc(C)o2)cc(-c2nn[n-]n2)n1 ZINC001590923183 1173543089 /nfs/dbraw/zinc/54/30/89/1173543089.db2.gz XOIPZQJMTQIDCF-UHFFFAOYSA-N -1 1 285.311 1.733 20 0 CDADMM CN(C(=O)[C@H]1CC12CCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001590975528 1173555592 /nfs/dbraw/zinc/55/55/92/1173555592.db2.gz AELHJVUAMYUOLN-SNVBAGLBSA-N -1 1 284.323 1.415 20 0 CDADMM CN(C(=O)[C@H]1CC12CCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001590975528 1173555597 /nfs/dbraw/zinc/55/55/97/1173555597.db2.gz AELHJVUAMYUOLN-SNVBAGLBSA-N -1 1 284.323 1.415 20 0 CDADMM COC(=O)c1ccc(NC[C@@H]2C[C@@H]2C)c(-c2nnn[n-]2)n1 ZINC001591295595 1173598303 /nfs/dbraw/zinc/59/83/03/1173598303.db2.gz LBOUOVXZOBNLKW-YUMQZZPRSA-N -1 1 288.311 1.116 20 0 CDADMM COC(=O)c1ccc(NC[C@@H]2C[C@@H]2C)c(-c2nn[n-]n2)n1 ZINC001591295595 1173598308 /nfs/dbraw/zinc/59/83/08/1173598308.db2.gz LBOUOVXZOBNLKW-YUMQZZPRSA-N -1 1 288.311 1.116 20 0 CDADMM COCC[C@H](C)CNc1cccnc1-c1nnn[n-]1 ZINC001591398731 1173643580 /nfs/dbraw/zinc/64/35/80/1173643580.db2.gz HQXFYQQCINFRTL-VIFPVBQESA-N -1 1 262.317 1.346 20 0 CDADMM COCC[C@H](C)CNc1cccnc1-c1nn[n-]n1 ZINC001591398731 1173643584 /nfs/dbraw/zinc/64/35/84/1173643584.db2.gz HQXFYQQCINFRTL-VIFPVBQESA-N -1 1 262.317 1.346 20 0 CDADMM COCCOCCCNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001591438140 1173652543 /nfs/dbraw/zinc/65/25/43/1173652543.db2.gz HPCUUJXQOGHVCN-UHFFFAOYSA-N -1 1 292.343 1.035 20 0 CDADMM COCCOCCCNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001591438140 1173652547 /nfs/dbraw/zinc/65/25/47/1173652547.db2.gz HPCUUJXQOGHVCN-UHFFFAOYSA-N -1 1 292.343 1.035 20 0 CDADMM CO[C@H]1CCCC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001591474723 1173662140 /nfs/dbraw/zinc/66/21/40/1173662140.db2.gz OMMGTWMMFFDZNM-WPRPVWTQSA-N -1 1 275.316 1.026 20 0 CDADMM CO[C@H]1CCCC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001591474723 1173662144 /nfs/dbraw/zinc/66/21/44/1173662144.db2.gz OMMGTWMMFFDZNM-WPRPVWTQSA-N -1 1 275.316 1.026 20 0 CDADMM COc1ccc(CNc2n[nH]cc2-c2nnn[n-]2)cc1C ZINC001591601059 1173673368 /nfs/dbraw/zinc/67/33/68/1173673368.db2.gz LXABKBDCDGZWCM-UHFFFAOYSA-N -1 1 285.311 1.519 20 0 CDADMM COc1ccc(CNc2n[nH]cc2-c2nn[n-]n2)cc1C ZINC001591601059 1173673369 /nfs/dbraw/zinc/67/33/69/1173673369.db2.gz LXABKBDCDGZWCM-UHFFFAOYSA-N -1 1 285.311 1.519 20 0 CDADMM COc1ccccc1CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591650433 1173675733 /nfs/dbraw/zinc/67/57/33/1173675733.db2.gz PEFTYFOXLSSZMR-UHFFFAOYSA-N -1 1 299.290 1.398 20 0 CDADMM COc1ccccc1CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591650433 1173675734 /nfs/dbraw/zinc/67/57/34/1173675734.db2.gz PEFTYFOXLSSZMR-UHFFFAOYSA-N -1 1 299.290 1.398 20 0 CDADMM COc1cccc([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001591633908 1173675966 /nfs/dbraw/zinc/67/59/66/1173675966.db2.gz STSVPXGUNNTRPV-VIFPVBQESA-N -1 1 297.322 1.260 20 0 CDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(F)cc1 ZINC001591729891 1173691221 /nfs/dbraw/zinc/69/12/21/1173691221.db2.gz LHCFGAXSGXXERW-MRVPVSSYSA-N -1 1 285.286 1.969 20 0 CDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(F)cc1 ZINC001591729891 1173691229 /nfs/dbraw/zinc/69/12/29/1173691229.db2.gz LHCFGAXSGXXERW-MRVPVSSYSA-N -1 1 285.286 1.969 20 0 CDADMM C[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1ccccn1 ZINC001591769390 1173696335 /nfs/dbraw/zinc/69/63/35/1173696335.db2.gz MVKHALINPHJMHW-QMMMGPOBSA-N -1 1 284.279 1.346 20 0 CDADMM C[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1ccccn1 ZINC001591769390 1173696339 /nfs/dbraw/zinc/69/63/39/1173696339.db2.gz MVKHALINPHJMHW-QMMMGPOBSA-N -1 1 284.279 1.346 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC(CC(F)F)C2)n1 ZINC001591883835 1173737101 /nfs/dbraw/zinc/73/71/01/1173737101.db2.gz JPXYFIJRADQFQF-UHFFFAOYSA-N -1 1 281.270 1.057 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC(CC(F)F)C2)n1 ZINC001591883835 1173737114 /nfs/dbraw/zinc/73/71/14/1173737114.db2.gz JPXYFIJRADQFQF-UHFFFAOYSA-N -1 1 281.270 1.057 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](C(F)F)C2)n1 ZINC001591885885 1173740099 /nfs/dbraw/zinc/74/00/99/1173740099.db2.gz ZPYRYQICXOPFQW-SSDOTTSWSA-N -1 1 281.270 1.057 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](C(F)F)C2)n1 ZINC001591885885 1173740104 /nfs/dbraw/zinc/74/01/04/1173740104.db2.gz ZPYRYQICXOPFQW-SSDOTTSWSA-N -1 1 281.270 1.057 20 0 CDADMM Cc1cc(N2CCOCC3(CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001592008270 1173771746 /nfs/dbraw/zinc/77/17/46/1173771746.db2.gz DMJDHJLTPCIGAL-UHFFFAOYSA-N -1 1 286.339 1.187 20 0 CDADMM Cc1cc(N2CCOCC3(CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001592008270 1173771749 /nfs/dbraw/zinc/77/17/49/1173771749.db2.gz DMJDHJLTPCIGAL-UHFFFAOYSA-N -1 1 286.339 1.187 20 0 CDADMM Cc1cc(NC[C@H]2CC(C)(C)CO2)nc(-c2nnn[n-]2)c1 ZINC001592044047 1173783412 /nfs/dbraw/zinc/78/34/12/1173783412.db2.gz LTTPFKACNOFOCD-SNVBAGLBSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(NC[C@H]2CC(C)(C)CO2)nc(-c2nn[n-]n2)c1 ZINC001592044047 1173783416 /nfs/dbraw/zinc/78/34/16/1173783416.db2.gz LTTPFKACNOFOCD-SNVBAGLBSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(NCc2nccs2)cc(-c2nnn[n-]2)n1 ZINC001592053653 1173789203 /nfs/dbraw/zinc/78/92/03/1173789203.db2.gz NKOZXOIBVOCBOF-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1cc(NCc2nccs2)cc(-c2nn[n-]n2)n1 ZINC001592053653 1173789208 /nfs/dbraw/zinc/78/92/08/1173789208.db2.gz NKOZXOIBVOCBOF-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCCC1CC(O)C1 ZINC001592114089 1173804944 /nfs/dbraw/zinc/80/49/44/1173804944.db2.gz NSRUZXAGQYZCLC-UHFFFAOYSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1ccc(N2CCC[C@H]2C[C@@H](C)O)c(-c2nnn[n-]2)n1 ZINC001592176795 1173822596 /nfs/dbraw/zinc/82/25/96/1173822596.db2.gz OHFNUEOKQKUQTP-MNOVXSKESA-N -1 1 288.355 1.310 20 0 CDADMM Cc1ccc(N2CCC[C@H]2C[C@@H](C)O)c(-c2nn[n-]n2)n1 ZINC001592176795 1173822599 /nfs/dbraw/zinc/82/25/99/1173822599.db2.gz OHFNUEOKQKUQTP-MNOVXSKESA-N -1 1 288.355 1.310 20 0 CDADMM Cc1ccc(NC[C@@H]2CCOC2(C)C)c(-c2nnn[n-]2)n1 ZINC001592182976 1173826573 /nfs/dbraw/zinc/82/65/73/1173826573.db2.gz HXWNSORXNBWTRX-JTQLQIEISA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(NC[C@@H]2CCOC2(C)C)c(-c2nn[n-]n2)n1 ZINC001592182976 1173826578 /nfs/dbraw/zinc/82/65/78/1173826578.db2.gz HXWNSORXNBWTRX-JTQLQIEISA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(NC[C@H](O)CC(C)C)nc1-c1nnn[n-]1 ZINC001592182965 1173827048 /nfs/dbraw/zinc/82/70/48/1173827048.db2.gz HNLASXGWRFSSNR-SNVBAGLBSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1ccc(NC[C@H](O)CC(C)C)nc1-c1nn[n-]n1 ZINC001592182965 1173827055 /nfs/dbraw/zinc/82/70/55/1173827055.db2.gz HNLASXGWRFSSNR-SNVBAGLBSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1ccc(N[C@@H]2CC23CCC3)nc1-c1nnn[n-]1 ZINC001592183443 1173829031 /nfs/dbraw/zinc/82/90/31/1173829031.db2.gz DSUPTIIZDAURDK-SECBINFHSA-N -1 1 256.313 1.925 20 0 CDADMM Cc1ccc(N[C@@H]2CC23CCC3)nc1-c1nn[n-]n1 ZINC001592183443 1173829035 /nfs/dbraw/zinc/82/90/35/1173829035.db2.gz DSUPTIIZDAURDK-SECBINFHSA-N -1 1 256.313 1.925 20 0 CDADMM Cc1ccc2c(c1)[C@@H](Nc1ccnc(-c3nnn[n-]3)c1)CO2 ZINC001592201276 1173832966 /nfs/dbraw/zinc/83/29/66/1173832966.db2.gz QFUZKLZVZCMHML-ZDUSSCGKSA-N -1 1 294.318 1.538 20 0 CDADMM Cc1ccc2c(c1)[C@@H](Nc1ccnc(-c3nn[n-]n3)c1)CO2 ZINC001592201276 1173832969 /nfs/dbraw/zinc/83/29/69/1173832969.db2.gz QFUZKLZVZCMHML-ZDUSSCGKSA-N -1 1 294.318 1.538 20 0 CDADMM Cc1cccc(C)c1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001592223931 1173833667 /nfs/dbraw/zinc/83/36/67/1173833667.db2.gz GXYHJBXDPQMXGD-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1cccc(C)c1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001592223931 1173833672 /nfs/dbraw/zinc/83/36/72/1173833672.db2.gz GXYHJBXDPQMXGD-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1cccnc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001592263647 1173837727 /nfs/dbraw/zinc/83/77/27/1173837727.db2.gz CVKDXADIQGEVKL-UHFFFAOYSA-N -1 1 270.252 1.415 20 0 CDADMM Cc1cccnc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001592263647 1173837732 /nfs/dbraw/zinc/83/77/32/1173837732.db2.gz CVKDXADIQGEVKL-UHFFFAOYSA-N -1 1 270.252 1.415 20 0 CDADMM Cc1ccn(CCC(C)(C)C)c(=O)c1-c1nn[n-]n1 ZINC001592266050 1173837903 /nfs/dbraw/zinc/83/79/03/1173837903.db2.gz NRHNEECZBVCRFR-UHFFFAOYSA-N -1 1 261.329 1.773 20 0 CDADMM Cc1ccoc1CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001592282583 1173846029 /nfs/dbraw/zinc/84/60/29/1173846029.db2.gz XJQPCLXMDODGBN-UHFFFAOYSA-N -1 1 299.290 1.655 20 0 CDADMM Cc1cncc(COC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001592300025 1173850063 /nfs/dbraw/zinc/85/00/63/1173850063.db2.gz ASSJHVRBYKSOBI-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1nc(-c2nn[n-]n2)c(-n2nc(C)c3c2CCC3)o1 ZINC001592335232 1173856319 /nfs/dbraw/zinc/85/63/19/1173856319.db2.gz OXGKQBDCEUMOIM-UHFFFAOYSA-N -1 1 271.284 1.146 20 0 CDADMM Cc1[nH]nc(NCc2cn(C)nc2C2CC2)c1-c1nnn[n-]1 ZINC001592330825 1173857085 /nfs/dbraw/zinc/85/70/85/1173857085.db2.gz MXZLUBQKRFJOAB-UHFFFAOYSA-N -1 1 299.342 1.121 20 0 CDADMM Cc1[nH]nc(NCc2cn(C)nc2C2CC2)c1-c1nn[n-]n1 ZINC001592330825 1173857089 /nfs/dbraw/zinc/85/70/89/1173857089.db2.gz MXZLUBQKRFJOAB-UHFFFAOYSA-N -1 1 299.342 1.121 20 0 CDADMM Cc1nc(CCn2cc(-c3nn[n-]n3)ccc2=O)cs1 ZINC001592359766 1173867480 /nfs/dbraw/zinc/86/74/80/1173867480.db2.gz NHNOJALWYMPBMV-UHFFFAOYSA-N -1 1 288.336 1.036 20 0 CDADMM Cc1ncc([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)s1 ZINC001592408780 1173880837 /nfs/dbraw/zinc/88/08/37/1173880837.db2.gz KQBGNWVNJVIGCA-LURJTMIESA-N -1 1 288.340 1.595 20 0 CDADMM Cc1ncc([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)s1 ZINC001592408780 1173880841 /nfs/dbraw/zinc/88/08/41/1173880841.db2.gz KQBGNWVNJVIGCA-LURJTMIESA-N -1 1 288.340 1.595 20 0 CDADMM Cc1nnc(Sc2cc(-c3nnn[n-]3)nc(C)n2)s1 ZINC001592399243 1173881800 /nfs/dbraw/zinc/88/18/00/1173881800.db2.gz FNZQFIIEQPAIDV-UHFFFAOYSA-N -1 1 292.353 1.276 20 0 CDADMM Cc1nnc(Sc2cc(-c3nn[n-]n3)nc(C)n2)s1 ZINC001592399243 1173881802 /nfs/dbraw/zinc/88/18/02/1173881802.db2.gz FNZQFIIEQPAIDV-UHFFFAOYSA-N -1 1 292.353 1.276 20 0 CDADMM Cc1noc(C)c1C[C@H](C)Nc1cccnc1-c1nnn[n-]1 ZINC001592457999 1173895213 /nfs/dbraw/zinc/89/52/13/1173895213.db2.gz QFLWIEKKQUVTDX-QMMMGPOBSA-N -1 1 299.338 1.910 20 0 CDADMM Cc1noc(C)c1C[C@H](C)Nc1cccnc1-c1nn[n-]n1 ZINC001592457999 1173895219 /nfs/dbraw/zinc/89/52/19/1173895219.db2.gz QFLWIEKKQUVTDX-QMMMGPOBSA-N -1 1 299.338 1.910 20 0 CDADMM Cc1nsc(NC(=O)N[C@H]2CC23CC3)c1-c1nnn[n-]1 ZINC001592481629 1173902220 /nfs/dbraw/zinc/90/22/20/1173902220.db2.gz SGUUBBOPHBITDX-LURJTMIESA-N -1 1 291.340 1.306 20 0 CDADMM Cc1nsc(NC(=O)N[C@H]2CC23CC3)c1-c1nn[n-]n1 ZINC001592481629 1173902224 /nfs/dbraw/zinc/90/22/24/1173902224.db2.gz SGUUBBOPHBITDX-LURJTMIESA-N -1 1 291.340 1.306 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CSC1(C)C ZINC001592502639 1173907329 /nfs/dbraw/zinc/90/73/29/1173907329.db2.gz OXOXAXYURXAMNV-SECBINFHSA-N -1 1 293.352 1.392 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CSC1(C)C ZINC001592502639 1173907335 /nfs/dbraw/zinc/90/73/35/1173907335.db2.gz OXOXAXYURXAMNV-SECBINFHSA-N -1 1 293.352 1.392 20 0 CDADMM FC(F)(F)CC1CN(c2ncncc2-c2nn[n-]n2)C1 ZINC001592615263 1173929777 /nfs/dbraw/zinc/92/97/77/1173929777.db2.gz HJWNQYYDUZDSEA-UHFFFAOYSA-N -1 1 285.233 1.045 20 0 CDADMM FC1(F)CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001592630582 1173937889 /nfs/dbraw/zinc/93/78/89/1173937889.db2.gz OMBVFOLIEQLGIO-UHFFFAOYSA-N -1 1 293.281 1.282 20 0 CDADMM FC1(F)CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001592630582 1173937893 /nfs/dbraw/zinc/93/78/93/1173937893.db2.gz OMBVFOLIEQLGIO-UHFFFAOYSA-N -1 1 293.281 1.282 20 0 CDADMM FCCCCCn1ccn2ncc(-c3nn[n-]n3)c12 ZINC001592630222 1173938161 /nfs/dbraw/zinc/93/81/61/1173938161.db2.gz SJJVEHIJCWQFDW-UHFFFAOYSA-N -1 1 263.280 1.456 20 0 CDADMM Fc1ccc(Oc2ncncc2-c2nnn[n-]2)c(F)c1 ZINC001592652885 1173956275 /nfs/dbraw/zinc/95/62/75/1173956275.db2.gz YOIFCBRJYIEMCP-UHFFFAOYSA-N -1 1 276.206 1.727 20 0 CDADMM Fc1ccc(Oc2ncncc2-c2nn[n-]n2)c(F)c1 ZINC001592652885 1173956280 /nfs/dbraw/zinc/95/62/80/1173956280.db2.gz YOIFCBRJYIEMCP-UHFFFAOYSA-N -1 1 276.206 1.727 20 0 CDADMM Fc1ccccc1CCOc1cnc(-c2nn[n-]n2)nc1 ZINC001592658832 1173957184 /nfs/dbraw/zinc/95/71/84/1173957184.db2.gz HAOXLGZZVFISOM-UHFFFAOYSA-N -1 1 286.270 1.417 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001592754631 1173985370 /nfs/dbraw/zinc/98/53/70/1173985370.db2.gz PVJLQRIRVNVWGF-RKDXNWHRSA-N -1 1 287.327 1.112 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1CC12CCCC2 ZINC001592914752 1174004735 /nfs/dbraw/zinc/00/47/35/1174004735.db2.gz GNVSAGSGFXOOKN-GFCCVEGCSA-N -1 1 298.350 1.253 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1CC12CCCC2 ZINC001592914752 1174004741 /nfs/dbraw/zinc/00/47/41/1174004741.db2.gz GNVSAGSGFXOOKN-GFCCVEGCSA-N -1 1 298.350 1.253 20 0 CDADMM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1csc(-c2nn[n-]n2)c1 ZINC001592973829 1174010284 /nfs/dbraw/zinc/01/02/84/1174010284.db2.gz INHLOEYMJQSRNY-OYNCUSHFSA-N -1 1 289.364 1.847 20 0 CDADMM O=C(NC[C@H]1C=CCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593024648 1174015479 /nfs/dbraw/zinc/01/54/79/1174015479.db2.gz YSYALQDZLZTIIG-VIFPVBQESA-N -1 1 287.298 1.702 20 0 CDADMM O=C(NC[C@H]1C=CCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593024648 1174015483 /nfs/dbraw/zinc/01/54/83/1174015483.db2.gz YSYALQDZLZTIIG-VIFPVBQESA-N -1 1 287.298 1.702 20 0 CDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)OC1CCCC1 ZINC001593146577 1174027300 /nfs/dbraw/zinc/02/73/00/1174027300.db2.gz UWXPUIPZGMXMQO-UHFFFAOYSA-N -1 1 288.311 1.431 20 0 CDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)OC1CCCC1 ZINC001593146577 1174027305 /nfs/dbraw/zinc/02/73/05/1174027305.db2.gz UWXPUIPZGMXMQO-UHFFFAOYSA-N -1 1 288.311 1.431 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001593243564 1174036205 /nfs/dbraw/zinc/03/62/05/1174036205.db2.gz GUIMXMJCYCWNLL-IQJOONFLSA-N -1 1 299.338 1.572 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001593243564 1174036211 /nfs/dbraw/zinc/03/62/11/1174036211.db2.gz GUIMXMJCYCWNLL-IQJOONFLSA-N -1 1 299.338 1.572 20 0 CDADMM O=C(Nc1ccc(CO)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593227556 1174038450 /nfs/dbraw/zinc/03/84/50/1174038450.db2.gz NDTBMSWZFACOLY-UHFFFAOYSA-N -1 1 296.290 1.006 20 0 CDADMM O=C(Nc1ccc(CO)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593227556 1174038458 /nfs/dbraw/zinc/03/84/58/1174038458.db2.gz NDTBMSWZFACOLY-UHFFFAOYSA-N -1 1 296.290 1.006 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccoc1C1CC1 ZINC001593261626 1174043739 /nfs/dbraw/zinc/04/37/39/1174043739.db2.gz XZQFEGZEZAVEHA-UHFFFAOYSA-N -1 1 285.267 1.313 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)C1CCSCC1 ZINC001593267468 1174045932 /nfs/dbraw/zinc/04/59/32/1174045932.db2.gz HAGIKTJKIDFAJX-UHFFFAOYSA-N -1 1 296.381 1.405 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)C1CCSCC1 ZINC001593267468 1174045939 /nfs/dbraw/zinc/04/59/39/1174045939.db2.gz HAGIKTJKIDFAJX-UHFFFAOYSA-N -1 1 296.381 1.405 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@@H]1CC12CCC2 ZINC001593301834 1174059708 /nfs/dbraw/zinc/05/97/08/1174059708.db2.gz QGPYZQUHJWGXJE-JTQLQIEISA-N -1 1 285.307 1.495 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@@H]1CC12CCC2 ZINC001593301834 1174059716 /nfs/dbraw/zinc/05/97/16/1174059716.db2.gz QGPYZQUHJWGXJE-JTQLQIEISA-N -1 1 285.307 1.495 20 0 CDADMM O=C(OCc1cncs1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593303112 1174060983 /nfs/dbraw/zinc/06/09/83/1174060983.db2.gz IBJWFXKVXBUOBG-UHFFFAOYSA-N -1 1 288.292 1.075 20 0 CDADMM O=C(OCc1cncs1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593303112 1174060988 /nfs/dbraw/zinc/06/09/88/1174060988.db2.gz IBJWFXKVXBUOBG-UHFFFAOYSA-N -1 1 288.292 1.075 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CC(C2CCCC2)C1 ZINC001593358268 1174070570 /nfs/dbraw/zinc/07/05/70/1174070570.db2.gz FROVOCZGOCBUPG-UHFFFAOYSA-N -1 1 298.350 1.524 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CC(C2CCCC2)C1 ZINC001593358268 1174070574 /nfs/dbraw/zinc/07/05/74/1174070574.db2.gz FROVOCZGOCBUPG-UHFFFAOYSA-N -1 1 298.350 1.524 20 0 CDADMM O=c1c(-c2nn[n-]n2)cc2c(n1CCCC1CC1)CCC2 ZINC001593491062 1174087175 /nfs/dbraw/zinc/08/71/75/1174087175.db2.gz UTZPIGAVUOTDGQ-UHFFFAOYSA-N -1 1 285.351 1.707 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1C[C@H]1CC2CCC1CC2 ZINC001593496744 1174089002 /nfs/dbraw/zinc/08/90/02/1174089002.db2.gz VSPGISLJALKQJJ-GCZXYKMCSA-N -1 1 285.351 1.855 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001593550776 1174121469 /nfs/dbraw/zinc/12/14/69/1174121469.db2.gz AFMAFBQSHGMDAJ-QXEWZRGKSA-N -1 1 287.327 1.026 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001593550776 1174121473 /nfs/dbraw/zinc/12/14/73/1174121473.db2.gz AFMAFBQSHGMDAJ-QXEWZRGKSA-N -1 1 287.327 1.026 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001593550774 1174122328 /nfs/dbraw/zinc/12/23/28/1174122328.db2.gz AFMAFBQSHGMDAJ-ATZCPNFKSA-N -1 1 287.327 1.026 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001593550774 1174122331 /nfs/dbraw/zinc/12/23/31/1174122331.db2.gz AFMAFBQSHGMDAJ-ATZCPNFKSA-N -1 1 287.327 1.026 20 0 CDADMM c1cc([C@H](Nc2ccnc(-c3nnn[n-]3)c2)C2CC2)ccn1 ZINC001593551897 1174123988 /nfs/dbraw/zinc/12/39/88/1174123988.db2.gz NGVCDQAPQUCSDU-CQSZACIVSA-N -1 1 293.334 1.642 20 0 CDADMM c1cc([C@H](Nc2ccnc(-c3nn[n-]n3)c2)C2CC2)ccn1 ZINC001593551897 1174123993 /nfs/dbraw/zinc/12/39/93/1174123993.db2.gz NGVCDQAPQUCSDU-CQSZACIVSA-N -1 1 293.334 1.642 20 0 CDADMM c1ccc2c(c1)CCN2Cc1cccc(-c2nnn[n-]2)n1 ZINC001593555050 1174129566 /nfs/dbraw/zinc/12/95/66/1174129566.db2.gz GHVXKLPWOFQBLR-UHFFFAOYSA-N -1 1 278.319 1.824 20 0 CDADMM c1ccc2c(c1)CCN2Cc1cccc(-c2nn[n-]n2)n1 ZINC001593555050 1174129568 /nfs/dbraw/zinc/12/95/68/1174129568.db2.gz GHVXKLPWOFQBLR-UHFFFAOYSA-N -1 1 278.319 1.824 20 0 CDADMM c1ccc2c(c1)CON(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001593580499 1174146708 /nfs/dbraw/zinc/14/67/08/1174146708.db2.gz YMEQJBJKXHFHAY-UHFFFAOYSA-N -1 1 281.279 1.109 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@@H]2CC3(CCC3)CO2)n1 ZINC001593583032 1174150049 /nfs/dbraw/zinc/15/00/49/1174150049.db2.gz KZCQFGCPDCLHRL-VIFPVBQESA-N -1 1 287.327 1.028 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@@H]2CC3(CCC3)CO2)n1 ZINC001593583032 1174150056 /nfs/dbraw/zinc/15/00/56/1174150056.db2.gz KZCQFGCPDCLHRL-VIFPVBQESA-N -1 1 287.327 1.028 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@H]2CSCCS2)c1 ZINC001593585406 1174153398 /nfs/dbraw/zinc/15/33/98/1174153398.db2.gz SIAFFUWJHZVUSH-QMMMGPOBSA-N -1 1 294.409 1.522 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@H]2CSCCS2)c1 ZINC001593585406 1174153399 /nfs/dbraw/zinc/15/33/99/1174153399.db2.gz SIAFFUWJHZVUSH-QMMMGPOBSA-N -1 1 294.409 1.522 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(N[C@@H]2CC23CCCC3)n1 ZINC001593594819 1174161971 /nfs/dbraw/zinc/16/19/71/1174161971.db2.gz HEYGQDLITPHNGD-SECBINFHSA-N -1 1 257.301 1.401 20 0 CDADMM Cc1cc(C(=O)N2CCN(CC(=O)[O-])CC2)cc(C)c1F ZINC001600083174 1174355762 /nfs/dbraw/zinc/35/57/62/1174355762.db2.gz QIRMXPDERZOPSC-UHFFFAOYSA-N -1 1 294.326 1.285 20 0 CDADMM COC(=O)[C@@H](C)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000094090259 1174461021 /nfs/dbraw/zinc/46/10/21/1174461021.db2.gz FHFHFGKLOITFPM-ZETCQYMHSA-N -1 1 271.700 1.585 20 0 CDADMM Cc1nnsc1[C@H](C)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001600803157 1174618961 /nfs/dbraw/zinc/61/89/61/1174618961.db2.gz YGWMBHFIBYERDU-IUCAKERBSA-N -1 1 287.410 1.657 20 0 CDADMM Cc1noc([C@@H]2OCC[C@@H]2NCc2ccc(C(=O)[O-])o2)n1 ZINC001600817379 1174627246 /nfs/dbraw/zinc/62/72/46/1174627246.db2.gz UZJKUZTWJLVERA-GXSJLCMTSA-N -1 1 293.279 1.289 20 0 CDADMM Cc1oc(C(=O)[O-])cc1CN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC001600828809 1174635048 /nfs/dbraw/zinc/63/50/48/1174635048.db2.gz GCYLATJDHWXYRR-UFGOTCBOSA-N -1 1 292.335 1.372 20 0 CDADMM Cn1cc(CN2CCC3=C(CCC(=O)N3)C2)cc1C(=O)[O-] ZINC001600951110 1174674250 /nfs/dbraw/zinc/67/42/50/1174674250.db2.gz DEPXCRPSRXKRBJ-UHFFFAOYSA-N -1 1 289.335 1.093 20 0 CDADMM Cn1cc(Cl)c(CNC2(CC(=O)[O-])CCCC2)n1 ZINC001600956654 1174679984 /nfs/dbraw/zinc/67/99/84/1174679984.db2.gz HDOMWMVNFMJQKA-UHFFFAOYSA-N -1 1 271.748 1.951 20 0 CDADMM C[C@@H]1CN(Cc2ccc(F)cc2C(=O)[O-])CC[N@H+]1C ZINC000104128715 1174692584 /nfs/dbraw/zinc/69/25/84/1174692584.db2.gz IBKHEXKNIHCDSR-SNVBAGLBSA-N -1 1 266.316 1.660 20 0 CDADMM O=C(/C=C\C1CCCC1)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001601229986 1174800754 /nfs/dbraw/zinc/80/07/54/1174800754.db2.gz LXOJZELMEMVOAU-FJOGCWAESA-N -1 1 277.324 1.268 20 0 CDADMM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCc1n[nH]c(C2CC2)n1 ZINC001601549329 1174897900 /nfs/dbraw/zinc/89/79/00/1174897900.db2.gz RDCFNSSNMDYJQG-VHSXEESVSA-N -1 1 292.339 1.189 20 0 CDADMM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(-c2nnc[nH]2)cc1 ZINC001601572185 1174903871 /nfs/dbraw/zinc/90/38/71/1174903871.db2.gz VIYYLGSSDNIBRG-PHIMTYICSA-N -1 1 286.291 1.065 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)c3ccncc3)[nH]c21 ZINC001601631424 1174917267 /nfs/dbraw/zinc/91/72/67/1174917267.db2.gz QABKCZMLLHBTNL-UHFFFAOYSA-N -1 1 282.259 1.908 20 0 CDADMM O=C([O-])C1=CC[C@H](NC(=O)c2cc(F)cc3nc[nH]c32)C1 ZINC001601736450 1174975140 /nfs/dbraw/zinc/97/51/40/1174975140.db2.gz ZIBFZAZUWDIMSY-VIFPVBQESA-N -1 1 289.266 1.605 20 0 CDADMM O=C([O-])C1=NO[C@]2(CC[N@@H+](C[C@@H]3C[C@H]4CCC[C@H]4O3)C2)C1 ZINC001601742258 1174977884 /nfs/dbraw/zinc/97/78/84/1174977884.db2.gz CIHAPJMEGNLPAN-NDPMZMCLSA-N -1 1 294.351 1.249 20 0 CDADMM O=C([O-])[C@H]1CCC[C@@H](n2cc(CNC3CC3)nn2)C1 ZINC001601803342 1175012881 /nfs/dbraw/zinc/01/28/81/1175012881.db2.gz FMBULAPOLRVKOU-JOYOIKCWSA-N -1 1 264.329 1.346 20 0 CDADMM O=C([O-])C1CCN(C(=O)c2cccc(F)c2O)CC1 ZINC001601828142 1175027303 /nfs/dbraw/zinc/02/73/03/1175027303.db2.gz XVACRONGQGYCSZ-UHFFFAOYSA-N -1 1 267.256 1.468 20 0 CDADMM O=C([O-])/C=C\c1ccc(CN2CCC[C@@H](OCCO)C2)o1 ZINC001601879540 1175049352 /nfs/dbraw/zinc/04/93/52/1175049352.db2.gz LPHNRHVFFVOIIA-CFHLNLSMSA-N -1 1 295.335 1.351 20 0 CDADMM O=C([O-])CC1CC(NC(=O)N2CCN(C3CCC3)CC2)C1 ZINC001601943958 1175078257 /nfs/dbraw/zinc/07/82/57/1175078257.db2.gz MUEDVUJEOUICFH-UHFFFAOYSA-N -1 1 295.383 1.119 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1ccc(OCC2CC2)cc1 ZINC001602192750 1175157368 /nfs/dbraw/zinc/15/73/68/1175157368.db2.gz ODDPTPJVYRKRHW-HIFRSBDPSA-N -1 1 291.347 1.495 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(Cn3ccc(-c4ccccc4)n3)C[C@@H]21 ZINC001602205915 1175164678 /nfs/dbraw/zinc/16/46/78/1175164678.db2.gz DSZXDISUYQSXCQ-NHAGDIPZSA-N -1 1 283.331 1.770 20 0 CDADMM O=C([O-])c1cc(CN2CC3(CCOCC3)[C@H]2C2CC2)on1 ZINC001602256279 1175182721 /nfs/dbraw/zinc/18/27/21/1175182721.db2.gz IFWHQNDLMDVANP-CYBMUJFWSA-N -1 1 292.335 1.764 20 0 CDADMM O=C([O-])c1cc(CN[C@H]2CCc3ccccc3OC2)on1 ZINC001602258072 1175185857 /nfs/dbraw/zinc/18/58/57/1175185857.db2.gz BHHCEQFKSAQXBT-NSHDSACASA-N -1 1 288.303 1.856 20 0 CDADMM O=C([O-])c1ccc(CN2CC[C@H](Nc3ncccn3)C2)nc1 ZINC001602336657 1175209762 /nfs/dbraw/zinc/20/97/62/1175209762.db2.gz KWMGSVORTPJJPQ-ZDUSSCGKSA-N -1 1 299.334 1.256 20 0 CDADMM O=C([O-])c1ccc(F)c(CN2C[C@@H](O)C3(CC3)C2)c1 ZINC001602364184 1175225183 /nfs/dbraw/zinc/22/51/83/1175225183.db2.gz SPKCVRCWIGPZEN-GFCCVEGCSA-N -1 1 265.284 1.481 20 0 CDADMM O=C([O-])c1ccc(NC(=O)N2CC[N@H+]3CC[C@H]2C3)s1 ZINC001602376562 1175226717 /nfs/dbraw/zinc/22/67/17/1175226717.db2.gz BPRAICRGFUYERS-QMMMGPOBSA-N -1 1 281.337 1.368 20 0 CDADMM O=C([O-])c1cnc(CN[C@H]2COC[C@H]2C2CC2)s1 ZINC001602521172 1175267620 /nfs/dbraw/zinc/26/76/20/1175267620.db2.gz NHCFZMWSNFLMOS-IUCAKERBSA-N -1 1 268.338 1.356 20 0 CDADMM O=C([O-])C1CC(OC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC001602606683 1175319445 /nfs/dbraw/zinc/31/94/45/1175319445.db2.gz FSZGYKZBIGYPEM-UHFFFAOYSA-N -1 1 278.308 1.699 20 0 CDADMM CC(=O)CCCOC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001602914178 1175451202 /nfs/dbraw/zinc/45/12/02/1175451202.db2.gz PSRAQSWLSTXOMG-UHFFFAOYSA-N -1 1 292.270 1.532 20 0 CDADMM CC(=O)CCCOC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001602914178 1175451204 /nfs/dbraw/zinc/45/12/04/1175451204.db2.gz PSRAQSWLSTXOMG-UHFFFAOYSA-N -1 1 292.270 1.532 20 0 CDADMM CC(=O)O[C@@H](C)Sc1cccnc1-c1nnn[n-]1 ZINC001602955841 1175457762 /nfs/dbraw/zinc/45/77/62/1175457762.db2.gz HBJWPPLABIAKQS-SSDOTTSWSA-N -1 1 265.298 1.263 20 0 CDADMM CC(=O)O[C@@H](C)Sc1cccnc1-c1nn[n-]n1 ZINC001602955841 1175457767 /nfs/dbraw/zinc/45/77/67/1175457767.db2.gz HBJWPPLABIAKQS-SSDOTTSWSA-N -1 1 265.298 1.263 20 0 CDADMM C/C(=C/C(C)(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001602960524 1175460954 /nfs/dbraw/zinc/46/09/54/1175460954.db2.gz TZQNLECTIFETPT-WDDYJBPVSA-N -1 1 279.340 1.514 20 0 CDADMM C/C(=C/CN[C@H](CCO)c1ccccc1F)C(=O)[O-] ZINC001602974509 1175468634 /nfs/dbraw/zinc/46/86/34/1175468634.db2.gz DIZHKYJAYQJPIS-AGEOTTOMSA-N -1 1 267.300 1.870 20 0 CDADMM CC(C)(C)CC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001603070728 1175486787 /nfs/dbraw/zinc/48/67/87/1175486787.db2.gz IGQXNRHQFKWNAQ-UHFFFAOYSA-N -1 1 274.328 1.314 20 0 CDADMM CC(C)(C)CC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001603070728 1175486791 /nfs/dbraw/zinc/48/67/91/1175486791.db2.gz IGQXNRHQFKWNAQ-UHFFFAOYSA-N -1 1 274.328 1.314 20 0 CDADMM CC(C)[C@@H]1C[C@@H]1C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001603241100 1175523626 /nfs/dbraw/zinc/52/36/26/1175523626.db2.gz KVBSKIXKUJLWAW-QWRGUYRKSA-N -1 1 286.339 1.517 20 0 CDADMM CC(C)[C@@H]1C[C@@H]1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001603241100 1175523632 /nfs/dbraw/zinc/52/36/32/1175523632.db2.gz KVBSKIXKUJLWAW-QWRGUYRKSA-N -1 1 286.339 1.517 20 0 CDADMM CC(C)[C@@H]1CCCN1Cn1cccc(-c2nnn[n-]2)c1=O ZINC001603246357 1175526347 /nfs/dbraw/zinc/52/63/47/1175526347.db2.gz QFVGQOYDJTYEAR-LBPRGKRZSA-N -1 1 288.355 1.106 20 0 CDADMM CC(C)[C@@H]1CCCN1Cn1cccc(-c2nn[n-]n2)c1=O ZINC001603246357 1175526352 /nfs/dbraw/zinc/52/63/52/1175526352.db2.gz QFVGQOYDJTYEAR-LBPRGKRZSA-N -1 1 288.355 1.106 20 0 CDADMM CC(C)COC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001603298741 1175533452 /nfs/dbraw/zinc/53/34/52/1175533452.db2.gz VWESRPCWBFKGIK-UHFFFAOYSA-N -1 1 264.260 1.819 20 0 CDADMM CC(C)COC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001603298741 1175533456 /nfs/dbraw/zinc/53/34/56/1175533456.db2.gz VWESRPCWBFKGIK-UHFFFAOYSA-N -1 1 264.260 1.819 20 0 CDADMM C[C@H](CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)CC(C)(C)C ZINC001603449656 1175553949 /nfs/dbraw/zinc/55/39/49/1175553949.db2.gz WUPLONGASVOZBU-MRVPVSSYSA-N -1 1 291.359 1.991 20 0 CDADMM C[C@H](CCO)CCNc1cccc(-c2nnn[n-]2)n1 ZINC001603495655 1175558672 /nfs/dbraw/zinc/55/86/72/1175558672.db2.gz SPKTYXGEHZESKX-VIFPVBQESA-N -1 1 262.317 1.082 20 0 CDADMM C[C@H](CCO)CCNc1cccc(-c2nn[n-]n2)n1 ZINC001603495655 1175558677 /nfs/dbraw/zinc/55/86/77/1175558677.db2.gz SPKTYXGEHZESKX-VIFPVBQESA-N -1 1 262.317 1.082 20 0 CDADMM CC(C)(O)C1CCN(Cc2cnc(C(=O)[O-])cn2)CC1 ZINC001603689597 1175600004 /nfs/dbraw/zinc/60/00/04/1175600004.db2.gz OMFRAQUTLRTZEO-UHFFFAOYSA-N -1 1 279.340 1.158 20 0 CDADMM CC1(CNc2nc(-c3nn[n-]n3)c(Cl)s2)COC1 ZINC001603807274 1175640368 /nfs/dbraw/zinc/64/03/68/1175640368.db2.gz JMFFMCOLDFHHQN-UHFFFAOYSA-N -1 1 286.748 1.425 20 0 CDADMM C[C@H]1C[C@H](C)N1c1c2ccccc2nnc1-c1nnn[n-]1 ZINC001603847565 1175653138 /nfs/dbraw/zinc/65/31/38/1175653138.db2.gz QJTWJVPRHNLXQU-IUCAKERBSA-N -1 1 281.323 1.797 20 0 CDADMM C[C@H]1C[C@H](C)N1c1c2ccccc2nnc1-c1nn[n-]n1 ZINC001603847565 1175653141 /nfs/dbraw/zinc/65/31/41/1175653141.db2.gz QJTWJVPRHNLXQU-IUCAKERBSA-N -1 1 281.323 1.797 20 0 CDADMM C[C@H]1CCCC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001603889561 1175672815 /nfs/dbraw/zinc/67/28/15/1175672815.db2.gz CXSYCOIJUCJDDX-IUCAKERBSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@H]1CCCC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001603889561 1175672818 /nfs/dbraw/zinc/67/28/18/1175672818.db2.gz CXSYCOIJUCJDDX-IUCAKERBSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)[C@H](C)[C@@H](C)O1 ZINC001603940846 1175691537 /nfs/dbraw/zinc/69/15/37/1175691537.db2.gz XNKNIRDIPUVQGK-OPRDCNLKSA-N -1 1 274.328 1.264 20 0 CDADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)[C@H](C)[C@@H](C)O1 ZINC001603940846 1175691545 /nfs/dbraw/zinc/69/15/45/1175691545.db2.gz XNKNIRDIPUVQGK-OPRDCNLKSA-N -1 1 274.328 1.264 20 0 CDADMM C[C@@H]1[C@@H](C)[C@H](C)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001603941793 1175692385 /nfs/dbraw/zinc/69/23/85/1175692385.db2.gz TWXZBUJRLLTAQP-HRDYMLBCSA-N -1 1 259.317 1.137 20 0 CDADMM C[C@@H]1Oc2ccccc2[C@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001603956215 1175697471 /nfs/dbraw/zinc/69/74/71/1175697471.db2.gz OVYGZZFEPHMVOW-XPTSAGLGSA-N -1 1 294.318 1.618 20 0 CDADMM C[C@@H]1Oc2ccccc2[C@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001603956215 1175697472 /nfs/dbraw/zinc/69/74/72/1175697472.db2.gz OVYGZZFEPHMVOW-XPTSAGLGSA-N -1 1 294.318 1.618 20 0 CDADMM CCC(C)(C)CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603981941 1175707187 /nfs/dbraw/zinc/70/71/87/1175707187.db2.gz QVMQJZANLIMNRF-UHFFFAOYSA-N -1 1 289.343 1.819 20 0 CDADMM CCC(C)(C)CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603981941 1175707193 /nfs/dbraw/zinc/70/71/93/1175707193.db2.gz QVMQJZANLIMNRF-UHFFFAOYSA-N -1 1 289.343 1.819 20 0 CDADMM CC[C@](C)(OC)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001603990745 1175710730 /nfs/dbraw/zinc/71/07/30/1175710730.db2.gz QIATWIWSPVKQMW-ZDUSSCGKSA-N -1 1 291.311 1.326 20 0 CDADMM CC[C@@](C)(OC)C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001603991591 1175711837 /nfs/dbraw/zinc/71/18/37/1175711837.db2.gz ZOZJNCRQGSHNGZ-GFCCVEGCSA-N -1 1 296.352 1.787 20 0 CDADMM CC[C@@H](OC(=O)c1ccsc1-c1nnn[n-]1)C(=O)OC ZINC001604072816 1175747158 /nfs/dbraw/zinc/74/71/58/1175747158.db2.gz UQVGUJGQALZAKQ-SSDOTTSWSA-N -1 1 296.308 1.037 20 0 CDADMM CC[C@@H](OC(=O)c1ccsc1-c1nn[n-]n1)C(=O)OC ZINC001604072816 1175747161 /nfs/dbraw/zinc/74/71/61/1175747161.db2.gz UQVGUJGQALZAKQ-SSDOTTSWSA-N -1 1 296.308 1.037 20 0 CDADMM COC[C@@H]1CCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000229788217 1175780199 /nfs/dbraw/zinc/78/01/99/1175780199.db2.gz FFHBKEDBTPHMHZ-SECBINFHSA-N -1 1 253.273 1.640 20 0 CDADMM C[C@@]1(NC(=O)c2cc(Cl)ccc2[O-])CCOC1 ZINC000160225747 1178361104 /nfs/dbraw/zinc/36/11/04/1178361104.db2.gz FVKNPEUCBQQBEY-GFCCVEGCSA-N -1 1 255.701 1.954 20 0 CDADMM C[C@H](O)C[C@H]1CCCN1C(=O)c1ccc([O-])cc1F ZINC000165307240 1180983089 /nfs/dbraw/zinc/98/30/89/1180983089.db2.gz QADUHBLMDXIDII-VHSXEESVSA-N -1 1 267.300 1.907 20 0 CDADMM Cn1ncc(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)n1 ZINC000311534813 1186686565 /nfs/dbraw/zinc/68/65/65/1186686565.db2.gz GBQHUUULRYSITI-JTQLQIEISA-N -1 1 266.345 1.138 20 0 CDADMM CC(C)n1cc(CN2CC[C@H](C(=O)[O-])[C@@H]2C)nn1 ZINC000385107606 1187269240 /nfs/dbraw/zinc/26/92/40/1187269240.db2.gz OPUFPFAJCMIZIA-ONGXEEELSA-N -1 1 252.318 1.154 20 0 CDADMM Cn1cncc1CNCc1ccccc1CC(=O)[O-] ZINC000388503986 1187273089 /nfs/dbraw/zinc/27/30/89/1187273089.db2.gz NIBHDWQGSXHQPX-UHFFFAOYSA-N -1 1 259.309 1.337 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC(C2CC2)C1 ZINC001606166560 1163793886 /nfs/dbraw/zinc/79/38/86/1163793886.db2.gz UHKRQASWCCLKPS-UHFFFAOYSA-N -1 1 273.296 1.250 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC(C2CC2)C1 ZINC001606166560 1163793894 /nfs/dbraw/zinc/79/38/94/1163793894.db2.gz UHKRQASWCCLKPS-UHFFFAOYSA-N -1 1 273.296 1.250 20 0 CDADMM Clc1ccc(Oc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001606193378 1163802726 /nfs/dbraw/zinc/80/27/26/1163802726.db2.gz DXWUBBVDINUSMA-UHFFFAOYSA-N -1 1 275.659 1.497 20 0 CDADMM O=C(N[C@@H]1CCC(F)(F)C1)c1ccc(-c2nnn[n-]2)o1 ZINC001606656393 1163949411 /nfs/dbraw/zinc/94/94/11/1163949411.db2.gz IVVQLSNWNTVRGE-ZCFIWIBFSA-N -1 1 283.238 1.377 20 0 CDADMM O=C(N[C@@H]1CCC(F)(F)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001606656393 1163949417 /nfs/dbraw/zinc/94/94/17/1163949417.db2.gz IVVQLSNWNTVRGE-ZCFIWIBFSA-N -1 1 283.238 1.377 20 0 CDADMM COC(CN(CCC(=O)[O-])Cc1ccc(C)nc1)OC ZINC001606674838 1163957458 /nfs/dbraw/zinc/95/74/58/1163957458.db2.gz SOUXLKNIYSUACL-UHFFFAOYSA-N -1 1 282.340 1.286 20 0 CDADMM O=C(NCC1CCSCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001606746324 1163980846 /nfs/dbraw/zinc/98/08/46/1163980846.db2.gz OOVNPINIMRQGTF-UHFFFAOYSA-N -1 1 293.352 1.333 20 0 CDADMM O=C(NCC1CCSCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001606746324 1163980850 /nfs/dbraw/zinc/98/08/50/1163980850.db2.gz OOVNPINIMRQGTF-UHFFFAOYSA-N -1 1 293.352 1.333 20 0 CDADMM COCC1(C2CC2)CN(Cc2ccc(C(=O)[O-])n2C)C1 ZINC001606837545 1164010505 /nfs/dbraw/zinc/01/05/05/1164010505.db2.gz SCZYCQGYBIJCHX-UHFFFAOYSA-N -1 1 278.352 1.582 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)[C@@H](O)C1CCC1 ZINC001606979238 1164047771 /nfs/dbraw/zinc/04/77/71/1164047771.db2.gz POWSDUMETOCBHH-JTQLQIEISA-N -1 1 294.336 1.132 20 0 CDADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)[C@H]1CCC=CO1 ZINC001606985011 1164049700 /nfs/dbraw/zinc/04/97/00/1164049700.db2.gz GEXMYIIMCWTIGO-MRVPVSSYSA-N -1 1 293.308 1.059 20 0 CDADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)[C@H]1CCC=CO1 ZINC001606985011 1164049707 /nfs/dbraw/zinc/04/97/07/1164049707.db2.gz GEXMYIIMCWTIGO-MRVPVSSYSA-N -1 1 293.308 1.059 20 0 CDADMM CON(C(=O)c1cccc(F)c1O)[C@H](C)CC(=O)[O-] ZINC001606987899 1164052548 /nfs/dbraw/zinc/05/25/48/1164052548.db2.gz OUKOTOFKUWXFEQ-SSDOTTSWSA-N -1 1 271.244 1.398 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCCC(F)(F)CC1 ZINC001607030598 1164065407 /nfs/dbraw/zinc/06/54/07/1164065407.db2.gz KBFOKMDWZIGAGJ-UHFFFAOYSA-N -1 1 297.265 1.721 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCCC(F)(F)CC1 ZINC001607030598 1164065408 /nfs/dbraw/zinc/06/54/08/1164065408.db2.gz KBFOKMDWZIGAGJ-UHFFFAOYSA-N -1 1 297.265 1.721 20 0 CDADMM Cc1cc(CCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)n[nH]1 ZINC001607637161 1164246407 /nfs/dbraw/zinc/24/64/07/1164246407.db2.gz BZCGQKNPDSYEJP-LLVKDONJSA-N -1 1 267.329 1.266 20 0 CDADMM Cc1oc(CN2CCC([C@H](F)C(N)=O)CC2)cc1C(=O)[O-] ZINC001608049115 1164393104 /nfs/dbraw/zinc/39/31/04/1164393104.db2.gz ONHXHDGBDMZRSQ-LBPRGKRZSA-N -1 1 298.314 1.322 20 0 CDADMM Cc1oc(CN2CCN(CCO)C(C)(C)C2)cc1C(=O)[O-] ZINC001608050684 1164394729 /nfs/dbraw/zinc/39/47/29/1164394729.db2.gz OFJXSXFPVPPSON-UHFFFAOYSA-N -1 1 296.367 1.175 20 0 CDADMM O=C([O-])[C@H](CCF)NC(=O)c1[nH]nc2c1CCCCC2 ZINC001608398462 1164507783 /nfs/dbraw/zinc/50/77/83/1164507783.db2.gz ZXROGKOEJSFQBG-JTQLQIEISA-N -1 1 283.303 1.221 20 0 CDADMM O=C([O-])c1cc(C(=O)N[C@@H]2CCCc3cn[nH]c32)c[nH]1 ZINC001608409828 1164511026 /nfs/dbraw/zinc/51/10/26/1164511026.db2.gz AZRSWPGXNQBZGC-SECBINFHSA-N -1 1 274.280 1.243 20 0 CDADMM O=C([O-])[C@@H](c1ccccc1F)N1CCc2n[nH]nc2C1 ZINC001608564051 1164548051 /nfs/dbraw/zinc/54/80/51/1164548051.db2.gz UEKDAUCSBNXFGP-GFCCVEGCSA-N -1 1 276.271 1.128 20 0 CDADMM CC(C)[C@H](C)CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609087480 1164763288 /nfs/dbraw/zinc/76/32/88/1164763288.db2.gz YBMYGACCEBBJPZ-SECBINFHSA-N -1 1 274.328 1.284 20 0 CDADMM CC(C)[C@H](C)CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609087480 1164763293 /nfs/dbraw/zinc/76/32/93/1164763293.db2.gz YBMYGACCEBBJPZ-SECBINFHSA-N -1 1 274.328 1.284 20 0 CDADMM CC1(C)C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001609144204 1164790847 /nfs/dbraw/zinc/79/08/47/1164790847.db2.gz MNZIDEMDVSEWNK-QMMMGPOBSA-N -1 1 275.316 1.026 20 0 CDADMM CC1(C)C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001609144204 1164790854 /nfs/dbraw/zinc/79/08/54/1164790854.db2.gz MNZIDEMDVSEWNK-QMMMGPOBSA-N -1 1 275.316 1.026 20 0 CDADMM CC1(C[N-]S(=O)(=O)c2ccns2)CC(F)(F)C1 ZINC000885352776 730423263 /nfs/dbraw/zinc/42/32/63/730423263.db2.gz VEKYOIPWRIJZFX-UHFFFAOYSA-N -1 1 282.337 1.857 20 0 CDADMM CCC1(CC)CCCN(CCS(=O)(=O)CC(=O)[O-])C1 ZINC000701882059 730430991 /nfs/dbraw/zinc/43/09/91/730430991.db2.gz JVEUYIRKWUUYPU-UHFFFAOYSA-N -1 1 291.413 1.388 20 0 CDADMM Cn1ccc([C@@H]2CCCN(C(=O)c3cncc([O-])c3)C2)n1 ZINC000928194854 730454173 /nfs/dbraw/zinc/45/41/73/730454173.db2.gz FATQVFKLPHNSPB-LLVKDONJSA-N -1 1 286.335 1.541 20 0 CDADMM O=C(c1ccc(Cl)cc1[O-])N1CCc2[nH]cnc2C1 ZINC000396813594 730465693 /nfs/dbraw/zinc/46/56/93/730465693.db2.gz FDUNXEZNGAMJLL-UHFFFAOYSA-N -1 1 277.711 1.967 20 0 CDADMM O=S(=O)([N-]CCc1ccc(CO)cc1)c1ccns1 ZINC000885087107 730469413 /nfs/dbraw/zinc/46/94/13/730469413.db2.gz KDBAYOSSLQVADG-UHFFFAOYSA-N -1 1 298.389 1.156 20 0 CDADMM CO[C@](C)(C[N-]S(=O)(=O)c1ccns1)C1CC1 ZINC000885199237 730501386 /nfs/dbraw/zinc/50/13/86/730501386.db2.gz QQSVJTIYIUYADV-SNVBAGLBSA-N -1 1 276.383 1.237 20 0 CDADMM COc1ccsc1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000720610782 730505575 /nfs/dbraw/zinc/50/55/75/730505575.db2.gz QUOCYVOZZNCJKT-UHFFFAOYSA-N -1 1 293.352 1.290 20 0 CDADMM CO[N-]C(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000025822041 730509430 /nfs/dbraw/zinc/50/94/30/730509430.db2.gz KDNWWFVDJDEGQN-JTQLQIEISA-N -1 1 282.727 1.366 20 0 CDADMM Cn1cnc(C(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000193196348 730518420 /nfs/dbraw/zinc/51/84/20/730518420.db2.gz PIXYQPKTSKVOGT-UHFFFAOYSA-N -1 1 252.661 1.426 20 0 CDADMM C[C@]1(C[N-]S(=O)(=O)c2ccc(F)nc2F)CCCO1 ZINC000866943312 730566223 /nfs/dbraw/zinc/56/62/23/730566223.db2.gz GMZCOPLHTLZIHG-LLVKDONJSA-N -1 1 292.307 1.207 20 0 CDADMM O=C([N-]OC/C=C\Cl)[C@@H]1CCCN1Cc1ccccn1 ZINC000794305392 730618640 /nfs/dbraw/zinc/61/86/40/730618640.db2.gz KXOADFVVOLZUIO-IRBQFCFKSA-N -1 1 295.770 1.846 20 0 CDADMM COC(=O)c1ccc(C(=O)OCC[C@@H]2CCCCO2)[n-]1 ZINC000796363695 730624203 /nfs/dbraw/zinc/62/42/03/730624203.db2.gz WOOBXEWNNWQSGN-JTQLQIEISA-N -1 1 281.308 1.917 20 0 CDADMM Cc1nc([C@@H](C)NC(=O)c2cc(F)cc(F)c2[O-])n[nH]1 ZINC000935961380 730629810 /nfs/dbraw/zinc/62/98/10/730629810.db2.gz AFVSDGWQPNLTJB-RXMQYKEDSA-N -1 1 282.250 1.588 20 0 CDADMM CC(C)[C@@H](F)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000801704544 730674912 /nfs/dbraw/zinc/67/49/12/730674912.db2.gz PLYCEBPXSZCPDO-SNVBAGLBSA-N -1 1 250.277 1.274 20 0 CDADMM CCCN1C[C@H](C(=O)[N-]OCCC2CC2)CC1=O ZINC000839779053 730707754 /nfs/dbraw/zinc/70/77/54/730707754.db2.gz SCTSGNRIGRSRLU-LLVKDONJSA-N -1 1 254.330 1.093 20 0 CDADMM CC(C)CCC(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000057807801 730728342 /nfs/dbraw/zinc/72/83/42/730728342.db2.gz VGLWFEDOQBSLHM-UHFFFAOYSA-N -1 1 277.320 1.922 20 0 CDADMM Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)C2)sn1 ZINC000867152054 730740953 /nfs/dbraw/zinc/74/09/53/730740953.db2.gz UMASPFPOTUJSII-VXNVDRBHSA-N -1 1 260.384 1.918 20 0 CDADMM CC[C@@H](C)C(=O)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001010390009 730750075 /nfs/dbraw/zinc/75/00/75/730750075.db2.gz NYHCBLPSOYLIHE-LLVKDONJSA-N -1 1 291.351 1.118 20 0 CDADMM O=C(NC[C@@H]1CCN1Cc1ccccn1)c1ncccc1[O-] ZINC001038190326 730759222 /nfs/dbraw/zinc/75/92/22/730759222.db2.gz BLDJCTLIVYUZHF-ZDUSSCGKSA-N -1 1 298.346 1.187 20 0 CDADMM CCC(C)(C)OCCNc1cccc(-c2nnn[n-]2)n1 ZINC001609182972 1164822012 /nfs/dbraw/zinc/82/20/12/1164822012.db2.gz NYSHTUBWLRRMJW-UHFFFAOYSA-N -1 1 276.344 1.879 20 0 CDADMM CCC(C)(C)OCCNc1cccc(-c2nn[n-]n2)n1 ZINC001609182972 1164822015 /nfs/dbraw/zinc/82/20/15/1164822015.db2.gz NYSHTUBWLRRMJW-UHFFFAOYSA-N -1 1 276.344 1.879 20 0 CDADMM CC(=O)CCC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830841762 730912944 /nfs/dbraw/zinc/91/29/44/730912944.db2.gz UWRBMPXDUNOEPF-LLVKDONJSA-N -1 1 294.273 1.025 20 0 CDADMM C[N-]S(=O)(=O)c1ccc(C(=O)OC[C@@]2(C)C[C@@H]2F)o1 ZINC000822118285 730916766 /nfs/dbraw/zinc/91/67/66/730916766.db2.gz FBKVJIBGQCRTDY-GZMMTYOYSA-N -1 1 291.300 1.093 20 0 CDADMM C[C@H](CN(C)C(=O)c1cccc2c1OCC2)c1nn[n-]n1 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CC[C@H](C)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000078784286 177388557 /nfs/dbraw/zinc/38/85/57/177388557.db2.gz XGQHVYFQNQYOQK-QMMMGPOBSA-N -1 1 265.357 1.904 20 0 CDADMM CC(C)(C)C1CC(Nc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001589098362 1173124016 /nfs/dbraw/zinc/12/40/16/1173124016.db2.gz AUQHSHDVZWYCLA-UHFFFAOYSA-N -1 1 273.344 1.893 20 0 CDADMM CC(C)(C)C1CC(Nc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001589098362 1173124021 /nfs/dbraw/zinc/12/40/21/1173124021.db2.gz AUQHSHDVZWYCLA-UHFFFAOYSA-N -1 1 273.344 1.893 20 0 CDADMM CC(C)OCCCOC(=O)c1ccsc1-c1nnn[n-]1 ZINC001589747331 1173173020 /nfs/dbraw/zinc/17/30/20/1173173020.db2.gz RHAHUQAGDQJUGD-UHFFFAOYSA-N -1 1 296.352 1.900 20 0 CDADMM CC(C)OCCCOC(=O)c1ccsc1-c1nn[n-]n1 ZINC001589747331 1173173023 /nfs/dbraw/zinc/17/30/23/1173173023.db2.gz RHAHUQAGDQJUGD-UHFFFAOYSA-N -1 1 296.352 1.900 20 0 CDADMM CC[C@@H](N=c1nc(-c2ccccc2)[nH]s1)C(=O)[O-] ZINC000518342649 260379888 /nfs/dbraw/zinc/37/98/88/260379888.db2.gz CPOOPRVXSHUVCJ-SECBINFHSA-N -1 1 263.322 1.902 20 0 CDADMM C[C@@H](CC(C)(C)O)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001589796843 1173183859 /nfs/dbraw/zinc/18/38/59/1173183859.db2.gz PNCHNZNQLRRLGZ-ZETCQYMHSA-N -1 1 295.368 1.208 20 0 CDADMM C[C@@H](CC(C)(C)O)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001589796843 1173183862 /nfs/dbraw/zinc/18/38/62/1173183862.db2.gz PNCHNZNQLRRLGZ-ZETCQYMHSA-N -1 1 295.368 1.208 20 0 CDADMM O=C(N[C@@H](CO)CCF)c1ccc(Cl)cc1[O-] ZINC000652920792 423877423 /nfs/dbraw/zinc/87/74/23/423877423.db2.gz IAOBQAZEDFGVKT-MRVPVSSYSA-N -1 1 261.680 1.496 20 0 CDADMM O=C(NCCCc1nnc[nH]1)c1ccc([O-])c(F)c1 ZINC000653028005 424128010 /nfs/dbraw/zinc/12/80/10/424128010.db2.gz ZHPGKVMZBKBGJH-UHFFFAOYSA-N -1 1 264.260 1.012 20 0 CDADMM CC(C)OCc1ccccc1CNC(=O)c1cnn[nH]1 ZINC000518993872 265288728 /nfs/dbraw/zinc/28/87/28/265288728.db2.gz ICJWAMIMOUSEMT-UHFFFAOYSA-N -1 1 274.324 1.660 20 0 CDADMM C[C@@H](CN(Cc1cc2n(n1)CCCC2)C1CC1)C(=O)[O-] ZINC000652488324 424487863 /nfs/dbraw/zinc/48/78/63/424487863.db2.gz OHGRKRRSKIXWNA-NSHDSACASA-N -1 1 277.368 1.905 20 0 CDADMM CC(C)c1nc(CN(C[C@H](C)C(=O)[O-])C2CC2)n[nH]1 ZINC000652488010 424492186 /nfs/dbraw/zinc/49/21/86/424492186.db2.gz AJBJVFTWPMQAEY-VIFPVBQESA-N -1 1 266.345 1.613 20 0 CDADMM CO[C@H](CC(C)C)CN1CCOC[C@H]1CC(=O)[O-] ZINC000652475288 424466867 /nfs/dbraw/zinc/46/68/67/424466867.db2.gz HVBLETFCELZXAX-VXGBXAGGSA-N -1 1 259.346 1.223 20 0 CDADMM CN(Cc1cnc[nH]1)C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000663123635 424657519 /nfs/dbraw/zinc/65/75/19/424657519.db2.gz HUHDOLLSFOTKBX-SECBINFHSA-N -1 1 253.302 1.115 20 0 CDADMM CC1(C)C[C@H](Nc2ncncc2-c2nn[n-]n2)CCS1 ZINC001590083848 1173247970 /nfs/dbraw/zinc/24/79/70/1173247970.db2.gz LHPBXRSOCYKHDK-MRVPVSSYSA-N -1 1 291.384 1.743 20 0 CDADMM CC1=C[C@H](C)C[C@H](CNc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001590156700 1173274168 /nfs/dbraw/zinc/27/41/68/1173274168.db2.gz HTJUUMYPURPGKO-WPRPVWTQSA-N -1 1 273.344 1.994 20 0 CDADMM CC1=C[C@H](C)C[C@H](CNc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001590156700 1173274177 /nfs/dbraw/zinc/27/41/77/1173274177.db2.gz HTJUUMYPURPGKO-WPRPVWTQSA-N -1 1 273.344 1.994 20 0 CDADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC(C)(C)C(C)C ZINC000516552712 270477938 /nfs/dbraw/zinc/47/79/38/270477938.db2.gz FRNVAQOPJGUICP-UHFFFAOYSA-N -1 1 269.301 1.061 20 0 CDADMM O=C([O-])[C@@H]1c2ccoc2CCN1CCn1cccn1 ZINC000530166086 271123378 /nfs/dbraw/zinc/12/33/78/271123378.db2.gz XOJRXNALLIUGEC-LBPRGKRZSA-N -1 1 261.281 1.160 20 0 CDADMM C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000530262386 271187195 /nfs/dbraw/zinc/18/71/95/271187195.db2.gz PIZUTVJKSJFARH-HBEIAFGSSA-N -1 1 297.362 1.697 20 0 CDADMM C[C@@H]1[C@@H](C)CN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590294993 1173339791 /nfs/dbraw/zinc/33/97/91/1173339791.db2.gz ZMIKGQYHPQOJKL-JGVFFNPUSA-N -1 1 273.300 1.134 20 0 CDADMM C[C@@H]1[C@@H](C)CN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590294993 1173339796 /nfs/dbraw/zinc/33/97/96/1173339796.db2.gz ZMIKGQYHPQOJKL-JGVFFNPUSA-N -1 1 273.300 1.134 20 0 CDADMM CC(=O)N1CCCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000081931765 276969882 /nfs/dbraw/zinc/96/98/82/276969882.db2.gz GMXGZOQTJRUWGL-UHFFFAOYSA-N -1 1 280.299 1.226 20 0 CDADMM CC[C@@H](C)[C@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590400335 1173389113 /nfs/dbraw/zinc/38/91/13/1173389113.db2.gz QBHNUUXJGMYPIK-BDAKNGLRSA-N -1 1 289.343 1.818 20 0 CDADMM CC[C@@H](C)[C@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590400335 1173389125 /nfs/dbraw/zinc/38/91/25/1173389125.db2.gz QBHNUUXJGMYPIK-BDAKNGLRSA-N -1 1 289.343 1.818 20 0 CDADMM CC(C)c1ccc(C(=O)N=c2ccc(O)n[n-]2)nc1 ZINC000362173724 278030307 /nfs/dbraw/zinc/03/03/07/278030307.db2.gz YHKSWLJLOXTDNC-UHFFFAOYSA-N -1 1 258.281 1.375 20 0 CDADMM CC1(C)C(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)C1(C)C ZINC000372363430 278181243 /nfs/dbraw/zinc/18/12/43/278181243.db2.gz AKTLTPVQFDJMTP-VIFPVBQESA-N -1 1 277.372 1.588 20 0 CDADMM O=S(=O)(Cc1cc(-c2cccs2)on1)c1ncn[n-]1 ZINC000086169671 279250558 /nfs/dbraw/zinc/25/05/58/279250558.db2.gz VXNIRUOSHJUQNE-UHFFFAOYSA-N -1 1 296.333 1.495 20 0 CDADMM O=S(=O)(Cc1cc(-c2cccs2)on1)c1nc[n-]n1 ZINC000086169671 279250560 /nfs/dbraw/zinc/25/05/60/279250560.db2.gz VXNIRUOSHJUQNE-UHFFFAOYSA-N -1 1 296.333 1.495 20 0 CDADMM CN(CC(=O)Nc1ccccc1)C(=O)c1ncccc1[O-] ZINC000194663596 280047294 /nfs/dbraw/zinc/04/72/94/280047294.db2.gz LWACAGKPRLPEME-UHFFFAOYSA-N -1 1 285.303 1.498 20 0 CDADMM CC[C@@H](C(=O)[O-])N1CCc2c(nc(C(C)C)n2C)C1 ZINC000191434505 280084947 /nfs/dbraw/zinc/08/49/47/280084947.db2.gz BYRCAGSZWHLPOH-NSHDSACASA-N -1 1 265.357 1.765 20 0 CDADMM C[C@@H](Cn1cccn1)NC(=O)c1ccc([O-])cc1F ZINC000226268479 280099661 /nfs/dbraw/zinc/09/96/61/280099661.db2.gz KXYIFTBZEJQWOQ-VIFPVBQESA-N -1 1 263.272 1.546 20 0 CDADMM C[C@@H](C(=O)[O-])C(=O)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000522014261 281084806 /nfs/dbraw/zinc/08/48/06/281084806.db2.gz RABFTWKESCXRJW-BXKDBHETSA-N -1 1 296.754 1.534 20 0 CDADMM CC[C@H](O)CCCNc1snc(C)c1-c1nn[n-]n1 ZINC001590474895 1173426612 /nfs/dbraw/zinc/42/66/12/1173426612.db2.gz HIVQJCDCRPLQGW-QMMMGPOBSA-N -1 1 282.373 1.595 20 0 CDADMM O=C(CCCN1C(=O)CCC1=O)Nc1ccc(F)cc1[O-] ZINC000531756256 281832622 /nfs/dbraw/zinc/83/26/22/281832622.db2.gz BZCYUMJTMQRRCK-UHFFFAOYSA-N -1 1 294.282 1.399 20 0 CDADMM C[C@H](CN(C)C(=O)c1cc(-c2ccoc2)[nH]n1)C(=O)[O-] ZINC000532601691 282005573 /nfs/dbraw/zinc/00/55/73/282005573.db2.gz HORHKOZJAWHXBE-MRVPVSSYSA-N -1 1 277.280 1.462 20 0 CDADMM C[C@H](CNC(=O)c1ccc(Cl)cc1[O-])S(C)(=O)=O ZINC000532838051 282053095 /nfs/dbraw/zinc/05/30/95/282053095.db2.gz ASGJMBXWEWVIEK-SSDOTTSWSA-N -1 1 291.756 1.209 20 0 CDADMM COCC[C@@H](CO)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000546606006 289733898 /nfs/dbraw/zinc/73/38/98/289733898.db2.gz GSMJECCCWJORJK-NSHDSACASA-N -1 1 299.348 1.109 20 0 CDADMM CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000546790343 289751209 /nfs/dbraw/zinc/75/12/09/289751209.db2.gz UVVYIDMMJZUAGD-ZJUUUORDSA-N -1 1 289.339 1.116 20 0 CDADMM O=C(NCc1ccccc1CO)C(=O)c1ccc([O-])cc1 ZINC000554399864 290157758 /nfs/dbraw/zinc/15/77/58/290157758.db2.gz PJZBSZOINMNBGP-UHFFFAOYSA-N -1 1 285.299 1.384 20 0 CDADMM CC(C)[C@H](NC(=O)c1ncccc1[O-])C1(CO)CCC1 ZINC000558455315 290396050 /nfs/dbraw/zinc/39/60/50/290396050.db2.gz WEQDCDNKXYBRLK-ZDUSSCGKSA-N -1 1 278.352 1.704 20 0 CDADMM CCC[C@@H](C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001590549872 1173457448 /nfs/dbraw/zinc/45/74/48/1173457448.db2.gz HCKCDURHVRMRME-SECBINFHSA-N -1 1 261.333 1.895 20 0 CDADMM CCC[C@@H](C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001590549872 1173457453 /nfs/dbraw/zinc/45/74/53/1173457453.db2.gz HCKCDURHVRMRME-SECBINFHSA-N -1 1 261.333 1.895 20 0 CDADMM C[C@@H](CN(C)C(=O)[C@H]1CCCCCC(=O)C1)c1nn[n-]n1 ZINC000562346549 293139877 /nfs/dbraw/zinc/13/98/77/293139877.db2.gz LVHXMOUCBHSTFD-QWRGUYRKSA-N -1 1 293.371 1.301 20 0 CDADMM Cc1oc(CN(C)CCN2CCO[C@H](C)C2)cc1C(=O)[O-] ZINC000563283047 293333580 /nfs/dbraw/zinc/33/35/80/293333580.db2.gz OATDZYVAVLYEJI-LLVKDONJSA-N -1 1 296.367 1.439 20 0 CDADMM CCC[C@@H](C)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590553705 1173461423 /nfs/dbraw/zinc/46/14/23/1173461423.db2.gz REPIJTOOCLCLKV-MRVPVSSYSA-N -1 1 260.301 1.180 20 0 CDADMM CCC[C@@H](C)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590553705 1173461426 /nfs/dbraw/zinc/46/14/26/1173461426.db2.gz REPIJTOOCLCLKV-MRVPVSSYSA-N -1 1 260.301 1.180 20 0 CDADMM CCC[C@H](O)CCCSc1ccc(-c2nnn[n-]2)nn1 ZINC001590559329 1173462496 /nfs/dbraw/zinc/46/24/96/1173462496.db2.gz DZQBSZLAUUDZFT-VIFPVBQESA-N -1 1 294.384 1.690 20 0 CDADMM CCC[C@H](O)CCCSc1ccc(-c2nn[n-]n2)nn1 ZINC001590559329 1173462501 /nfs/dbraw/zinc/46/25/01/1173462501.db2.gz DZQBSZLAUUDZFT-VIFPVBQESA-N -1 1 294.384 1.690 20 0 CDADMM CCC[C@H](O)CNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001590560087 1173463907 /nfs/dbraw/zinc/46/39/07/1173463907.db2.gz LKGRJIRWEZQDFO-VIFPVBQESA-N -1 1 262.317 1.143 20 0 CDADMM CCCCNC(=O)[C@@H](C)Sc1ncc(C)c(=O)[n-]1 ZINC000568270360 294004976 /nfs/dbraw/zinc/00/49/76/294004976.db2.gz CQCNUGYWDZLVDS-SECBINFHSA-N -1 1 269.370 1.888 20 0 CDADMM Cc1cnc(SCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[nH]c1=O ZINC000569120697 294162454 /nfs/dbraw/zinc/16/24/54/294162454.db2.gz NUBGIKQWCHKVSM-PHIMTYICSA-N -1 1 283.397 1.692 20 0 CDADMM Cc1cnc(S[C@@H](C)C(=O)NC[C@@H]2CCCO2)[n-]c1=O ZINC000572617786 294661004 /nfs/dbraw/zinc/66/10/04/294661004.db2.gz HXCIZCNOXMWCAE-UWVGGRQHSA-N -1 1 297.380 1.266 20 0 CDADMM CCCN(CC1CC1)c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001590622206 1173477974 /nfs/dbraw/zinc/47/79/74/1173477974.db2.gz MFAMPHOQYNVCSQ-UHFFFAOYSA-N -1 1 287.371 1.846 20 0 CDADMM CCCN(CC1CC1)c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001590622206 1173477991 /nfs/dbraw/zinc/47/79/91/1173477991.db2.gz MFAMPHOQYNVCSQ-UHFFFAOYSA-N -1 1 287.371 1.846 20 0 CDADMM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)c1ccc2cncn2c1 ZINC000263153839 297740427 /nfs/dbraw/zinc/74/04/27/297740427.db2.gz FPCADPAYRREUMJ-ZWNOBZJWSA-N -1 1 287.319 1.660 20 0 CDADMM CCOC(=O)c1cnn(CC2CCCC2)c1-c1nn[n-]n1 ZINC001590775581 1173507259 /nfs/dbraw/zinc/50/72/59/1173507259.db2.gz OXXUKOKEZIVIBF-UHFFFAOYSA-N -1 1 290.327 1.430 20 0 CDADMM C[C@H]1CN(Cc2nc(=O)n(C)[n-]2)[C@H]1c1ccccc1 ZINC000335314673 300273351 /nfs/dbraw/zinc/27/33/51/300273351.db2.gz HDTFMDKNNFNING-GXFFZTMASA-N -1 1 258.325 1.301 20 0 CDADMM CCc1nc(N[C@@H](C)CCSC)cc(-c2nnn[n-]2)n1 ZINC001590913759 1173541158 /nfs/dbraw/zinc/54/11/58/1173541158.db2.gz XLWPESNYYJZTKD-QMMMGPOBSA-N -1 1 293.400 1.773 20 0 CDADMM CCc1nc(N[C@@H](C)CCSC)cc(-c2nn[n-]n2)n1 ZINC001590913759 1173541169 /nfs/dbraw/zinc/54/11/69/1173541169.db2.gz XLWPESNYYJZTKD-QMMMGPOBSA-N -1 1 293.400 1.773 20 0 CDADMM CN(C(=O)c1csc(-c2nn[n-]n2)c1)c1nncs1 ZINC001590998757 1173560308 /nfs/dbraw/zinc/56/03/08/1173560308.db2.gz WSOUCDMCGWXJQT-UHFFFAOYSA-N -1 1 293.337 1.056 20 0 CDADMM O=C(C(=O)N1CCSC[C@H]1C1CC1)c1ccc([O-])cc1 ZINC000334737027 303534445 /nfs/dbraw/zinc/53/44/45/303534445.db2.gz RULSMLVERNVLSA-ZDUSSCGKSA-N -1 1 291.372 1.929 20 0 CDADMM CN(c1cc(-c2nnn[n-]2)ncn1)C1CCCCC1 ZINC001591154661 1173585906 /nfs/dbraw/zinc/58/59/06/1173585906.db2.gz DELMFRUKDOQDLE-UHFFFAOYSA-N -1 1 259.317 1.426 20 0 CDADMM CN(c1cc(-c2nn[n-]n2)ncn1)C1CCCCC1 ZINC001591154661 1173585911 /nfs/dbraw/zinc/58/59/11/1173585911.db2.gz DELMFRUKDOQDLE-UHFFFAOYSA-N -1 1 259.317 1.426 20 0 CDADMM COCC[C@@H](C)CNc1nc(-c2nn[n-]n2)ccc1C ZINC001591398790 1173643702 /nfs/dbraw/zinc/64/37/02/1173643702.db2.gz JIFBPCTWCGDLAH-SECBINFHSA-N -1 1 276.344 1.655 20 0 CDADMM COCCCn1cc(-c2ccc(-c3nn[n-]n3)s2)cn1 ZINC001591418686 1173649936 /nfs/dbraw/zinc/64/99/36/1173649936.db2.gz GKUOMXRUDBJZKZ-UHFFFAOYSA-N -1 1 290.352 1.828 20 0 CDADMM COc1ccc(-c2nc(Cc3ccnn3C)no2)c([O-])c1 ZINC000350569794 316179027 /nfs/dbraw/zinc/17/90/27/316179027.db2.gz TUBWSMVWHPWKGJ-UHFFFAOYSA-N -1 1 286.291 1.775 20 0 CDADMM Cn1cc(-c2nc(-c3ccc([O-])cc3F)no2)nn1 ZINC000350607962 316186347 /nfs/dbraw/zinc/18/63/47/316186347.db2.gz IYFKDSNJDRGYHA-UHFFFAOYSA-N -1 1 261.216 1.377 20 0 CDADMM C[C@H](N=c1ccc(N2CCNC(=O)C2)n[n-]1)c1ccccc1 ZINC000575797286 317015719 /nfs/dbraw/zinc/01/57/19/317015719.db2.gz APAZIAQCXNIZMC-LBPRGKRZSA-N -1 1 297.362 1.008 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292.368 1.545 20 0 CDADMM Oc1ccc(CCNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000095147441 606214486 /nfs/dbraw/zinc/21/44/86/606214486.db2.gz SBLQMAHQHFBDSU-UHFFFAOYSA-N -1 1 282.307 1.622 20 0 CDADMM Oc1ccc(CCNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000095147441 606214489 /nfs/dbraw/zinc/21/44/89/606214489.db2.gz SBLQMAHQHFBDSU-UHFFFAOYSA-N -1 1 282.307 1.622 20 0 CDADMM CC1(C)CN(c2cccc(-c3nnn[n-]3)n2)CCS1 ZINC000820607376 606230813 /nfs/dbraw/zinc/23/08/13/606230813.db2.gz SALZZJAAVCBFQK-UHFFFAOYSA-N -1 1 276.369 1.594 20 0 CDADMM CC1(C)CN(c2cccc(-c3nn[n-]n3)n2)CCS1 ZINC000820607376 606230815 /nfs/dbraw/zinc/23/08/15/606230815.db2.gz SALZZJAAVCBFQK-UHFFFAOYSA-N -1 1 276.369 1.594 20 0 CDADMM C[C@H](Cc1ccncc1)Nc1nccnc1-c1nnn[n-]1 ZINC000820306677 606478499 /nfs/dbraw/zinc/47/84/99/606478499.db2.gz BSIYXPYNPYCTCA-SECBINFHSA-N -1 1 282.311 1.095 20 0 CDADMM C[C@H](Cc1ccncc1)Nc1nccnc1-c1nn[n-]n1 ZINC000820306677 606478501 /nfs/dbraw/zinc/47/85/01/606478501.db2.gz BSIYXPYNPYCTCA-SECBINFHSA-N -1 1 282.311 1.095 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823436440 606518969 /nfs/dbraw/zinc/51/89/69/606518969.db2.gz VMHIUKORMAUTGC-UHFFFAOYSA-N -1 1 281.275 1.619 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823436440 606518970 /nfs/dbraw/zinc/51/89/70/606518970.db2.gz VMHIUKORMAUTGC-UHFFFAOYSA-N -1 1 281.275 1.619 20 0 CDADMM COCC(C)(C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821680630 606547039 /nfs/dbraw/zinc/54/70/39/606547039.db2.gz PBQBCNATHKKTTI-UHFFFAOYSA-N -1 1 281.341 1.083 20 0 CDADMM COCC(C)(C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821680630 606547041 /nfs/dbraw/zinc/54/70/41/606547041.db2.gz PBQBCNATHKKTTI-UHFFFAOYSA-N -1 1 281.341 1.083 20 0 CDADMM C[C@@H](O)C[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820475208 606569183 /nfs/dbraw/zinc/56/91/83/606569183.db2.gz ZGAQGJXLOHYWHO-JGVFFNPUSA-N -1 1 295.368 1.065 20 0 CDADMM C[C@@H](O)C[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820475208 606569184 /nfs/dbraw/zinc/56/91/84/606569184.db2.gz ZGAQGJXLOHYWHO-JGVFFNPUSA-N -1 1 295.368 1.065 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1Cc1ccc(F)cc1F ZINC000823657843 606633271 /nfs/dbraw/zinc/63/32/71/606633271.db2.gz VUZSMQNHFKZYHK-UHFFFAOYSA-N -1 1 289.245 1.355 20 0 CDADMM CCc1nn(C[C@@H](C)CC)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821518298 606704113 /nfs/dbraw/zinc/70/41/13/606704113.db2.gz SUATYRQXFWVMKH-VIFPVBQESA-N -1 1 290.371 1.594 20 0 CDADMM C[C@@H]1CC[C@@H](C)N1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820684106 606907397 /nfs/dbraw/zinc/90/73/97/606907397.db2.gz MDQLECVBMBNBRO-HTQZYQBOSA-N -1 1 290.331 1.005 20 0 CDADMM C[C@@H]1CC[C@@H](C)N1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820684106 606907399 /nfs/dbraw/zinc/90/73/99/606907399.db2.gz MDQLECVBMBNBRO-HTQZYQBOSA-N -1 1 290.331 1.005 20 0 CDADMM CCC(CC)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000095162665 607104278 /nfs/dbraw/zinc/10/42/78/607104278.db2.gz SEHHVNCQNXAVDF-UHFFFAOYSA-N -1 1 266.330 1.698 20 0 CDADMM CCC(CC)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000095162665 607104280 /nfs/dbraw/zinc/10/42/80/607104280.db2.gz SEHHVNCQNXAVDF-UHFFFAOYSA-N -1 1 266.330 1.698 20 0 CDADMM O=Cc1ccc(OCc2ccnc(-c3nnn[n-]3)c2)c(F)c1 ZINC000826484224 607894193 /nfs/dbraw/zinc/89/41/93/607894193.db2.gz SSIUPPYLWPXDRL-UHFFFAOYSA-N -1 1 299.265 1.792 20 0 CDADMM O=Cc1ccc(OCc2ccnc(-c3nn[n-]n3)c2)c(F)c1 ZINC000826484224 607894194 /nfs/dbraw/zinc/89/41/94/607894194.db2.gz SSIUPPYLWPXDRL-UHFFFAOYSA-N -1 1 299.265 1.792 20 0 CDADMM CC(C)(C)OC(=O)CNc1cccc(-c2nnn[n-]2)n1 ZINC000824100509 607899564 /nfs/dbraw/zinc/89/95/64/607899564.db2.gz SCONXFCDAYGWNP-UHFFFAOYSA-N -1 1 276.300 1.015 20 0 CDADMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC000824999168 607900846 /nfs/dbraw/zinc/90/08/46/607900846.db2.gz DEMQSDFDCZHFIG-SECBINFHSA-N -1 1 258.329 1.887 20 0 CDADMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC000824999168 607900847 /nfs/dbraw/zinc/90/08/47/607900847.db2.gz DEMQSDFDCZHFIG-SECBINFHSA-N -1 1 258.329 1.887 20 0 CDADMM CSCC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000826228772 607991172 /nfs/dbraw/zinc/99/11/72/607991172.db2.gz ZPXIAAVHDDUURX-QMMMGPOBSA-N -1 1 279.373 1.235 20 0 CDADMM CSCC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000826228772 607991173 /nfs/dbraw/zinc/99/11/73/607991173.db2.gz ZPXIAAVHDDUURX-QMMMGPOBSA-N -1 1 279.373 1.235 20 0 CDADMM COc1ccc(C)cc1C(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000826190090 608012731 /nfs/dbraw/zinc/01/27/31/608012731.db2.gz PLFHONCMNRWUFS-UHFFFAOYSA-N -1 1 298.306 1.263 20 0 CDADMM COc1ccc(C)cc1C(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000826190090 608012732 /nfs/dbraw/zinc/01/27/32/608012732.db2.gz PLFHONCMNRWUFS-UHFFFAOYSA-N -1 1 298.306 1.263 20 0 CDADMM C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1cn[nH]c1 ZINC000824670457 608191699 /nfs/dbraw/zinc/19/16/99/608191699.db2.gz OZDXRKOSLUMMPP-BYPYZUCNSA-N -1 1 296.747 1.873 20 0 CDADMM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825191380 608245889 /nfs/dbraw/zinc/24/58/89/608245889.db2.gz BAECGMFXVMDCHQ-GXSJLCMTSA-N -1 1 286.339 1.665 20 0 CDADMM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825191380 608245890 /nfs/dbraw/zinc/24/58/90/608245890.db2.gz BAECGMFXVMDCHQ-GXSJLCMTSA-N -1 1 286.339 1.665 20 0 CDADMM C[C@@H]1C[C@H]1c1ccc(CNc2ccc(-c3nnn[n-]3)nn2)o1 ZINC000824899293 608401203 /nfs/dbraw/zinc/40/12/03/608401203.db2.gz IWEQNFRHKQZMJW-PSASIEDQSA-N -1 1 297.322 1.985 20 0 CDADMM C[C@@H]1C[C@H]1c1ccc(CNc2ccc(-c3nn[n-]n3)nn2)o1 ZINC000824899293 608401204 /nfs/dbraw/zinc/40/12/04/608401204.db2.gz IWEQNFRHKQZMJW-PSASIEDQSA-N -1 1 297.322 1.985 20 0 CDADMM c1ccc(C[C@@H]2C[C@H]2Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826520784 608423922 /nfs/dbraw/zinc/42/39/22/608423922.db2.gz RCHKZAHJADXINF-DGCLKSJQSA-N -1 1 293.334 1.700 20 0 CDADMM c1ccc(C[C@@H]2C[C@H]2Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826520784 608423923 /nfs/dbraw/zinc/42/39/23/608423923.db2.gz RCHKZAHJADXINF-DGCLKSJQSA-N -1 1 293.334 1.700 20 0 CDADMM CS[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826226518 608425006 /nfs/dbraw/zinc/42/50/06/608425006.db2.gz AZZNFSDQUQGTML-SFYZADRCSA-N -1 1 277.357 1.353 20 0 CDADMM CS[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826226518 608425008 /nfs/dbraw/zinc/42/50/08/608425008.db2.gz AZZNFSDQUQGTML-SFYZADRCSA-N -1 1 277.357 1.353 20 0 CDADMM c1cc(N2C3CCCC2CCC3)nnc1-c1nnn[n-]1 ZINC000826516315 608425473 /nfs/dbraw/zinc/42/54/73/608425473.db2.gz GOYPJDLDBWPPKH-UHFFFAOYSA-N -1 1 271.328 1.568 20 0 CDADMM c1cc(N2C3CCCC2CCC3)nnc1-c1nn[n-]n1 ZINC000826516315 608425475 /nfs/dbraw/zinc/42/54/75/608425475.db2.gz GOYPJDLDBWPPKH-UHFFFAOYSA-N -1 1 271.328 1.568 20 0 CDADMM CCc1cnc(CNc2ccc(-c3nnn[n-]3)nn2)s1 ZINC000825736105 608426633 /nfs/dbraw/zinc/42/66/33/608426633.db2.gz VYQLMBFYZOPLRM-UHFFFAOYSA-N -1 1 288.340 1.288 20 0 CDADMM CCc1cnc(CNc2ccc(-c3nn[n-]n3)nn2)s1 ZINC000825736105 608426635 /nfs/dbraw/zinc/42/66/35/608426635.db2.gz VYQLMBFYZOPLRM-UHFFFAOYSA-N -1 1 288.340 1.288 20 0 CDADMM CCO[C@@H](CCNc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC000825576598 608427835 /nfs/dbraw/zinc/42/78/35/608427835.db2.gz LHVWMWBNLXADBC-NSHDSACASA-N -1 1 291.359 1.520 20 0 CDADMM CCO[C@@H](CCNc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC000825576598 608427836 /nfs/dbraw/zinc/42/78/36/608427836.db2.gz LHVWMWBNLXADBC-NSHDSACASA-N -1 1 291.359 1.520 20 0 CDADMM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1C ZINC000824961787 608439866 /nfs/dbraw/zinc/43/98/66/608439866.db2.gz ISBYHSQTLBJIMA-BDAKNGLRSA-N -1 1 259.317 1.139 20 0 CDADMM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1C ZINC000824961787 608439868 /nfs/dbraw/zinc/43/98/68/608439868.db2.gz ISBYHSQTLBJIMA-BDAKNGLRSA-N -1 1 259.317 1.139 20 0 CDADMM C[C@@H]1c2cccn2CCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000825029568 608497954 /nfs/dbraw/zinc/49/79/54/608497954.db2.gz WOLGOPUMAONAHI-SNVBAGLBSA-N -1 1 284.323 1.838 20 0 CDADMM C[C@@H]1c2cccn2CCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000825029568 608497957 /nfs/dbraw/zinc/49/79/57/608497957.db2.gz WOLGOPUMAONAHI-SNVBAGLBSA-N -1 1 284.323 1.838 20 0 CDADMM Cc1ccc(-c2nnn[n-]2)nc1N1C[C@@H](C)O[C@H](C)C1 ZINC000826279751 608541023 /nfs/dbraw/zinc/54/10/23/608541023.db2.gz AQCQSITWWVRHEN-NXEZZACHSA-N -1 1 274.328 1.184 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1C[C@@H](C)O[C@H](C)C1 ZINC000826279751 608541025 /nfs/dbraw/zinc/54/10/25/608541025.db2.gz AQCQSITWWVRHEN-NXEZZACHSA-N -1 1 274.328 1.184 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC[C@@H](C)C1 ZINC000826280959 608541947 /nfs/dbraw/zinc/54/19/47/608541947.db2.gz XSYCYRSOOHSHAE-SECBINFHSA-N -1 1 258.329 1.806 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H](C)Cn1cccn1 ZINC000826280820 608542784 /nfs/dbraw/zinc/54/27/84/608542784.db2.gz REFPZPPUWNQMPK-SNVBAGLBSA-N -1 1 298.354 1.515 20 0 CDADMM CCc1cnccc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000825740005 609432928 /nfs/dbraw/zinc/43/29/28/609432928.db2.gz MZOGOKSMIVTIHZ-UHFFFAOYSA-N -1 1 281.323 1.831 20 0 CDADMM CCc1cnccc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000825740005 609432930 /nfs/dbraw/zinc/43/29/30/609432930.db2.gz MZOGOKSMIVTIHZ-UHFFFAOYSA-N -1 1 281.323 1.831 20 0 CDADMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000046313911 617384715 /nfs/dbraw/zinc/38/47/15/617384715.db2.gz YKHQALUKXMHJKD-UHFFFAOYSA-N -1 1 289.353 1.923 20 0 CDADMM COCc1nc(N2C[C@@H](C)C[C@H](C)C2)cc(=O)[n-]1 ZINC000891408494 617385733 /nfs/dbraw/zinc/38/57/33/617385733.db2.gz JVMVGDDYUACWEA-UWVGGRQHSA-N -1 1 251.330 1.811 20 0 CDADMM COCc1nc(N2C[C@@H](C)OC(C)(C)C2)cc(=O)[n-]1 ZINC000892025271 617420781 /nfs/dbraw/zinc/42/07/81/617420781.db2.gz OHSWZBBZNRMLPQ-SECBINFHSA-N -1 1 267.329 1.332 20 0 CDADMM CC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000945619744 614105140 /nfs/dbraw/zinc/10/51/40/614105140.db2.gz CAONDCPRSNBTDA-ZYHUDNBSSA-N -1 1 291.351 1.164 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cn2c(n1)CCC2 ZINC000891613095 617504797 /nfs/dbraw/zinc/50/47/97/617504797.db2.gz FKYFFNLGJVOUOI-UHFFFAOYSA-N -1 1 299.334 1.456 20 0 CDADMM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)Cc1cnc[nH]1 ZINC000909668588 620723493 /nfs/dbraw/zinc/72/34/93/620723493.db2.gz QOUJXYTVVHUNAM-GFCCVEGCSA-N -1 1 279.340 1.492 20 0 CDADMM CN(C(=O)C[C@@H]1CCCCC1(C)C)c1nn[n-]n1 ZINC000892955088 617978400 /nfs/dbraw/zinc/97/84/00/617978400.db2.gz WBNCNWIVKSFRMA-VIFPVBQESA-N -1 1 251.334 1.769 20 0 CDADMM COc1ccc(C(C)(C)C(=O)N(C)c2nn[n-]n2)cc1 ZINC000892955086 617978519 /nfs/dbraw/zinc/97/85/19/617978519.db2.gz WAWPEDKXXQEPBI-UHFFFAOYSA-N -1 1 275.312 1.149 20 0 CDADMM COCc1nc(NCc2cn3ccc(C)cc3n2)cc(=O)[n-]1 ZINC000891950299 617820291 /nfs/dbraw/zinc/82/02/91/617820291.db2.gz JIKULHHNNKSHKG-UHFFFAOYSA-N -1 1 299.334 1.897 20 0 CDADMM COCc1nc(N(Cc2cccnc2)C2CC2)cc(=O)[n-]1 ZINC000891960419 617891605 /nfs/dbraw/zinc/89/16/05/617891605.db2.gz JMXXQNGLJQWLCR-UHFFFAOYSA-N -1 1 286.335 1.893 20 0 CDADMM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccccc1F)N(C)C ZINC000909357645 617910962 /nfs/dbraw/zinc/91/09/62/617910962.db2.gz FJMGPMXMYUEKFN-LDYMZIIASA-N -1 1 268.288 1.018 20 0 CDADMM CN(C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1nn[n-]n1 ZINC000892954604 617975356 /nfs/dbraw/zinc/97/53/56/617975356.db2.gz NHQDBJJWAHSPHK-GFCCVEGCSA-N -1 1 287.323 1.370 20 0 CDADMM CN(C(=O)c1cccc([C@H]2CCCOC2)c1)c1nn[n-]n1 ZINC000892954068 617976390 /nfs/dbraw/zinc/97/63/90/617976390.db2.gz BQGXXASMFLJHSQ-LBPRGKRZSA-N -1 1 287.323 1.370 20 0 CDADMM CCn1cc(CNc2cc(=O)[n-]c(COC)n2)cn1 ZINC000893838502 618081453 /nfs/dbraw/zinc/08/14/53/618081453.db2.gz RLRQKNFJUDVLND-UHFFFAOYSA-N -1 1 263.301 1.157 20 0 CDADMM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000909672460 620788648 /nfs/dbraw/zinc/78/86/48/620788648.db2.gz LYAOHFGVNFRCLT-FSDSQADBSA-N -1 1 291.229 1.035 20 0 CDADMM C[C@@H]1CN(Cc2cccc3c2CCC3)C[C@@H](C(=O)[O-])O1 ZINC000901934741 618373500 /nfs/dbraw/zinc/37/35/00/618373500.db2.gz NKBQBVVOFXAIOZ-ABAIWWIYSA-N -1 1 275.348 1.849 20 0 CDADMM CCO[C@@H]1C[C@@H](NCc2cc(C(=O)[O-])co2)[C@]12CCCO2 ZINC000901951834 618391799 /nfs/dbraw/zinc/39/17/99/618391799.db2.gz GEKBWKCKYAIVHO-UMVBOHGHSA-N -1 1 295.335 1.794 20 0 CDADMM O=C([O-])C[C@@H]1CSCCN1Cc1cccc2nccn21 ZINC000901983781 618417259 /nfs/dbraw/zinc/41/72/59/618417259.db2.gz VQMIIAVUYDTEEL-GFCCVEGCSA-N -1 1 291.376 1.726 20 0 CDADMM 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1163789610 /nfs/dbraw/zinc/78/96/10/1163789610.db2.gz CCGCLGHOZVTQON-UHFFFAOYSA-N -1 1 297.698 1.759 20 0 CDADMM Cc1onc(CC(=O)N[C@@H]2CC[C@H](C)C2)c1-c1nnn[n-]1 ZINC001606180019 1163799186 /nfs/dbraw/zinc/79/91/86/1163799186.db2.gz VAGCCXXKIYPTNM-IONNQARKSA-N -1 1 290.327 1.010 20 0 CDADMM Cc1onc(CC(=O)N[C@@H]2CC[C@H](C)C2)c1-c1nn[n-]n1 ZINC001606180019 1163799194 /nfs/dbraw/zinc/79/91/94/1163799194.db2.gz VAGCCXXKIYPTNM-IONNQARKSA-N -1 1 290.327 1.010 20 0 CDADMM CN(Cc1nc2ccccc2c(=O)[nH]1)[C@H](C(=O)[O-])C1CC1 ZINC001606177453 1163799705 /nfs/dbraw/zinc/79/97/05/1163799705.db2.gz IMONFTTVAUWIRT-ZDUSSCGKSA-N -1 1 287.319 1.630 20 0 CDADMM CO[C@H](C)c1noc(CN2CC[C@]3(C(=O)[O-])CCC[C@H]23)n1 ZINC001606664910 1163951977 /nfs/dbraw/zinc/95/19/77/1163951977.db2.gz FHRYRHIXSNPVKC-ISTVAULSSA-N -1 1 295.339 1.606 20 0 CDADMM COC(CCN[C@H](C)c1ncc(C(=O)[O-])s1)OC ZINC001606668465 1163954296 /nfs/dbraw/zinc/95/42/96/1163954296.db2.gz LNUNDZMTWPNFJS-SSDOTTSWSA-N -1 1 274.342 1.501 20 0 CDADMM O=C(OCC1CC1)Oc1ccc(F)nc1-c1nn[n-]n1 ZINC001606966009 1164041921 /nfs/dbraw/zinc/04/19/21/1164041921.db2.gz ZHHFNKVOJFFUIC-UHFFFAOYSA-N -1 1 279.231 1.326 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC[C@H]1C1CCC1 ZINC001607025499 1164063445 /nfs/dbraw/zinc/06/34/45/1164063445.db2.gz GSLPACCPTCTRNK-ZDUSSCGKSA-N -1 1 298.350 1.666 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC[C@H]1C1CCC1 ZINC001607025499 1164063453 /nfs/dbraw/zinc/06/34/53/1164063453.db2.gz GSLPACCPTCTRNK-ZDUSSCGKSA-N -1 1 298.350 1.666 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N(C1CC1)C1CC1 ZINC001607030594 1164064334 /nfs/dbraw/zinc/06/43/34/1164064334.db2.gz JVOWCYPAUQMSDN-UHFFFAOYSA-N -1 1 259.269 1.227 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N(C1CC1)C1CC1 ZINC001607030594 1164064336 /nfs/dbraw/zinc/06/43/36/1164064336.db2.gz JVOWCYPAUQMSDN-UHFFFAOYSA-N -1 1 259.269 1.227 20 0 CDADMM O=C1CCN(Cc2ccnc(-c3nn[n-]n3)c2)C2(CCC2)C1 ZINC001607045920 1164067730 /nfs/dbraw/zinc/06/77/30/1164067730.db2.gz OZYWSNYLDAPMKD-UHFFFAOYSA-N -1 1 298.350 1.349 20 0 CDADMM O=C1NCc2c1cccc2NCc1ccc(-c2nnn[n-]2)o1 ZINC001607052929 1164069571 /nfs/dbraw/zinc/06/95/71/1164069571.db2.gz NWVYBFLLDXTWRD-UHFFFAOYSA-N -1 1 296.290 1.315 20 0 CDADMM O=C1NCc2c1cccc2NCc1ccc(-c2nn[n-]n2)o1 ZINC001607052929 1164069578 /nfs/dbraw/zinc/06/95/78/1164069578.db2.gz NWVYBFLLDXTWRD-UHFFFAOYSA-N -1 1 296.290 1.315 20 0 CDADMM O[C@]1(C2CC2)CCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001607098633 1164081896 /nfs/dbraw/zinc/08/18/96/1164081896.db2.gz QNZJZJTVUJWSET-CQSZACIVSA-N -1 1 286.339 1.003 20 0 CDADMM O[C@]1(C2CC2)CCCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001607098633 1164081905 /nfs/dbraw/zinc/08/19/05/1164081905.db2.gz QNZJZJTVUJWSET-CQSZACIVSA-N -1 1 286.339 1.003 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCC[C@H]2CCCS2)c1 ZINC001607133332 1164112836 /nfs/dbraw/zinc/11/28/36/1164112836.db2.gz CNXWSQZMYSQBQM-SECBINFHSA-N -1 1 276.369 1.959 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCC[C@H]2CCCS2)c1 ZINC001607133332 1164112840 /nfs/dbraw/zinc/11/28/40/1164112840.db2.gz CNXWSQZMYSQBQM-SECBINFHSA-N -1 1 276.369 1.959 20 0 CDADMM COc1cc(CNCc2cc(C)c(C(=O)[O-])[nH]2)ccn1 ZINC001607163790 1164124972 /nfs/dbraw/zinc/12/49/72/1164124972.db2.gz FWPIDMKMNOTODQ-UHFFFAOYSA-N -1 1 275.308 1.715 20 0 CDADMM Cc1nccnc1N1CCN(CC2(CC(=O)[O-])CC2)CC1 ZINC001607990436 1164364352 /nfs/dbraw/zinc/36/43/52/1164364352.db2.gz JVKNQXWDXXJDAK-UHFFFAOYSA-N -1 1 290.367 1.162 20 0 CDADMM Cc1nccnc1CCN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001607991847 1164366581 /nfs/dbraw/zinc/36/65/81/1164366581.db2.gz ZWIWDNZKFMMWEN-VIFPVBQESA-N -1 1 292.364 1.833 20 0 CDADMM O=C([O-])[C@@H](NC(=O)c1[nH]ncc1F)c1ccccc1F ZINC001608388413 1164503776 /nfs/dbraw/zinc/50/37/76/1164503776.db2.gz UGNVISWTFDXKJO-VIFPVBQESA-N -1 1 281.218 1.244 20 0 CDADMM O=C([O-])[C@@H](NCC(=O)N(C1CC1)C1CCCC1)C1CC1 ZINC001608545740 1164540856 /nfs/dbraw/zinc/54/08/56/1164540856.db2.gz FVUYLINYOZAUMI-AWEZNQCLSA-N -1 1 280.368 1.373 20 0 CDADMM O=C([O-])CN1CCN(C(=O)C2CCC(C3CC3)CC2)CC1 ZINC001608748763 1164628423 /nfs/dbraw/zinc/62/84/23/1164628423.db2.gz QXXMITGPXDBIRA-UHFFFAOYSA-N -1 1 294.395 1.432 20 0 CDADMM O=C([O-])Cc1cccc(C(=O)N2CCN3CCC2CC3)c1 ZINC001608783338 1164635815 /nfs/dbraw/zinc/63/58/15/1164635815.db2.gz JRNALQFFDQOADC-UHFFFAOYSA-N -1 1 288.347 1.234 20 0 CDADMM O=C([O-])[C@@H]1CC[C@H](c2nc([C@@H]3CN4CCC3CC4)no2)O1 ZINC001608805771 1164644122 /nfs/dbraw/zinc/64/41/22/1164644122.db2.gz IPXIFIHFZNVXQF-MXWKQRLJSA-N -1 1 293.323 1.184 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](C(=O)N2CCc3nc[nH]c3C23CCC3)C1 ZINC001608821048 1164651704 /nfs/dbraw/zinc/65/17/04/1164651704.db2.gz BRTWZQXUWMWUDO-AOOOYVTPSA-N -1 1 289.335 1.284 20 0 CDADMM O=C([O-])c1cnc(CCNCc2ccon2)s1 ZINC001608971088 1164697265 /nfs/dbraw/zinc/69/72/65/1164697265.db2.gz UJUHAFKPFFJFTM-UHFFFAOYSA-N -1 1 253.283 1.162 20 0 CDADMM O=C([O-])[C@@H](OC(=O)[C@@H]1CCCc2[nH]ncc21)C1CC1 ZINC001609010253 1164721699 /nfs/dbraw/zinc/72/16/99/1164721699.db2.gz HGXYKHBPPWSIST-KCJUWKMLSA-N -1 1 264.281 1.236 20 0 CDADMM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CCC1 ZINC001609070930 1164757090 /nfs/dbraw/zinc/75/70/90/1164757090.db2.gz ZFNZWOTXHFVJEP-QMMMGPOBSA-N -1 1 272.312 1.636 20 0 CDADMM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CCC1 ZINC001609070930 1164757089 /nfs/dbraw/zinc/75/70/89/1164757089.db2.gz ZFNZWOTXHFVJEP-QMMMGPOBSA-N -1 1 272.312 1.636 20 0 CDADMM C[C@@H]1COCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609177169 1164816535 /nfs/dbraw/zinc/81/65/35/1164816535.db2.gz PMKDSBZXAZFOEG-SFYZADRCSA-N -1 1 293.352 1.083 20 0 CDADMM C[C@@H]1COCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609177169 1164816539 /nfs/dbraw/zinc/81/65/39/1164816539.db2.gz PMKDSBZXAZFOEG-SFYZADRCSA-N -1 1 293.352 1.083 20 0 CDADMM CCc1ccnc(CNc2nccnc2-c2nnn[n-]2)c1 ZINC001609253625 1164867131 /nfs/dbraw/zinc/86/71/31/1164867131.db2.gz CFOZMQJJGIVHBY-UHFFFAOYSA-N -1 1 282.311 1.226 20 0 CDADMM CCc1ccnc(CNc2nccnc2-c2nn[n-]n2)c1 ZINC001609253625 1164867133 /nfs/dbraw/zinc/86/71/33/1164867133.db2.gz CFOZMQJJGIVHBY-UHFFFAOYSA-N -1 1 282.311 1.226 20 0 CDADMM CO[C@@H]1CN(c2cccnc2-c2nnn[n-]2)CC[C@@H]1C ZINC001609315770 1164892515 /nfs/dbraw/zinc/89/25/15/1164892515.db2.gz SRXBBPQPYRDPMG-GXSJLCMTSA-N -1 1 274.328 1.123 20 0 CDADMM CO[C@@H]1CN(c2cccnc2-c2nn[n-]n2)CC[C@@H]1C ZINC001609315770 1164892526 /nfs/dbraw/zinc/89/25/26/1164892526.db2.gz SRXBBPQPYRDPMG-GXSJLCMTSA-N -1 1 274.328 1.123 20 0 CDADMM COCC[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001609321643 1164901140 /nfs/dbraw/zinc/90/11/40/1164901140.db2.gz KCPNYKHQBDWHKO-RXMQYKEDSA-N -1 1 288.764 1.814 20 0 CDADMM COCC[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609321643 1164901144 /nfs/dbraw/zinc/90/11/44/1164901144.db2.gz KCPNYKHQBDWHKO-RXMQYKEDSA-N -1 1 288.764 1.814 20 0 CDADMM CSCC[C@H](C)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609371140 1164912797 /nfs/dbraw/zinc/91/27/97/1164912797.db2.gz TXZHEVSROVPHND-ZETCQYMHSA-N -1 1 297.409 1.800 20 0 CDADMM Cc1cc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)n(C)n1 ZINC001609408487 1164933331 /nfs/dbraw/zinc/93/33/31/1164933331.db2.gz YFVXLGSBMLFUHC-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1cc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)n(C)n1 ZINC001609408487 1164933335 /nfs/dbraw/zinc/93/33/35/1164933335.db2.gz YFVXLGSBMLFUHC-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1ccccc1CCCOc1cnc(-c2nn[n-]n2)nc1 ZINC001609436334 1164946232 /nfs/dbraw/zinc/94/62/32/1164946232.db2.gz KGKXQURGRJMVSP-UHFFFAOYSA-N -1 1 296.334 1.977 20 0 CDADMM Cc1nsc(NC(=O)C2CCCC2)c1-c1nnn[n-]1 ZINC001609464938 1164961373 /nfs/dbraw/zinc/96/13/73/1164961373.db2.gz IZYTVLZYLPRBRQ-UHFFFAOYSA-N -1 1 278.341 1.760 20 0 CDADMM Cc1nsc(NC(=O)C2CCCC2)c1-c1nn[n-]n1 ZINC001609464938 1164961376 /nfs/dbraw/zinc/96/13/76/1164961376.db2.gz IZYTVLZYLPRBRQ-UHFFFAOYSA-N -1 1 278.341 1.760 20 0 CDADMM Cc1noc(C)c1N(C)Cc1nc(-c2nnn[n-]2)cs1 ZINC001609463001 1164962659 /nfs/dbraw/zinc/96/26/59/1164962659.db2.gz IGXDZEWERVDPBY-UHFFFAOYSA-N -1 1 291.340 1.564 20 0 CDADMM Cc1noc(C)c1N(C)Cc1nc(-c2nn[n-]n2)cs1 ZINC001609463001 1164962667 /nfs/dbraw/zinc/96/26/67/1164962667.db2.gz IGXDZEWERVDPBY-UHFFFAOYSA-N -1 1 291.340 1.564 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC2(CC2)CC1 ZINC001609467046 1164965290 /nfs/dbraw/zinc/96/52/90/1164965290.db2.gz RUPWCNRRIRQYMY-UHFFFAOYSA-N -1 1 287.323 1.784 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC2(CC2)CC1 ZINC001609467046 1164965292 /nfs/dbraw/zinc/96/52/92/1164965292.db2.gz RUPWCNRRIRQYMY-UHFFFAOYSA-N -1 1 287.323 1.784 20 0 CDADMM FC(F)C1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001609485155 1164970860 /nfs/dbraw/zinc/97/08/60/1164970860.db2.gz FRXJDHNVBDQNTN-UHFFFAOYSA-N -1 1 295.297 1.893 20 0 CDADMM FC(F)C1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001609485155 1164970863 /nfs/dbraw/zinc/97/08/63/1164970863.db2.gz FRXJDHNVBDQNTN-UHFFFAOYSA-N -1 1 295.297 1.893 20 0 CDADMM O=C(N[C@@H]1CCC(F)(F)C1)c1cccc(-c2nnn[n-]2)n1 ZINC001609540699 1164984746 /nfs/dbraw/zinc/98/47/46/1164984746.db2.gz KNPVMQVHLASGQO-SSDOTTSWSA-N -1 1 294.265 1.179 20 0 CDADMM O=C(N[C@@H]1CCC(F)(F)C1)c1cccc(-c2nn[n-]n2)n1 ZINC001609540699 1164984753 /nfs/dbraw/zinc/98/47/53/1164984753.db2.gz KNPVMQVHLASGQO-SSDOTTSWSA-N -1 1 294.265 1.179 20 0 CDADMM OCCCc1cccc(Nc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001609610792 1165004291 /nfs/dbraw/zinc/00/42/91/1165004291.db2.gz SXEANJNBYCMFJH-UHFFFAOYSA-N -1 1 297.322 1.325 20 0 CDADMM OCCCc1cccc(Nc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001609610792 1165004294 /nfs/dbraw/zinc/00/42/94/1165004294.db2.gz SXEANJNBYCMFJH-UHFFFAOYSA-N -1 1 297.322 1.325 20 0 CDADMM c1cc(-c2nc([C@@H]3CCCO3)no2)sc1-c1nnn[n-]1 ZINC001609612663 1165005771 /nfs/dbraw/zinc/00/57/71/1165005771.db2.gz IGISJPPNNWKOAA-LURJTMIESA-N -1 1 290.308 1.830 20 0 CDADMM c1cc(-c2nc([C@@H]3CCCO3)no2)sc1-c1nn[n-]n1 ZINC001609612663 1165005779 /nfs/dbraw/zinc/00/57/79/1165005779.db2.gz IGISJPPNNWKOAA-LURJTMIESA-N -1 1 290.308 1.830 20 0 CDADMM C[C@@H](NCc1ccoc1C(=O)[O-])C(=O)NCc1ccco1 ZINC001609779079 1165077689 /nfs/dbraw/zinc/07/76/89/1165077689.db2.gz AOFDZZMVCBSUIZ-SECBINFHSA-N -1 1 292.291 1.365 20 0 CDADMM CC1(C)CN([C@@H](C(=O)[O-])C2CC2)C[C@@H](C(F)(F)F)O1 ZINC001609818754 1165095338 /nfs/dbraw/zinc/09/53/38/1165095338.db2.gz UPIBYUMXHBIPKL-DTWKUNHWSA-N -1 1 281.274 1.891 20 0 CDADMM CCc1ccc(C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)s1 ZINC001610060439 1165198832 /nfs/dbraw/zinc/19/88/32/1165198832.db2.gz RMTPSJMZADCJOD-JTQLQIEISA-N -1 1 296.392 1.399 20 0 CDADMM O=C([O-])c1coc(CNCCO[C@H]2CCCCO2)c1 ZINC001610867147 1165467939 /nfs/dbraw/zinc/46/79/39/1165467939.db2.gz GBPUMICQWGPCHE-LBPRGKRZSA-N -1 1 269.297 1.611 20 0 CDADMM Cn1ccc(C(=O)NCc2nn[n-]n2)c1-c1ccccc1 ZINC001626983986 1165971908 /nfs/dbraw/zinc/97/19/08/1165971908.db2.gz BTJBOSNNYBUVLA-UHFFFAOYSA-N -1 1 282.307 1.135 20 0 CDADMM CSc1ncc(C(=O)N2CC3(CCC3)C2)c(=O)[n-]1 ZINC001630232681 1166193825 /nfs/dbraw/zinc/19/38/25/1166193825.db2.gz UZQYRKGHKYUKFA-UHFFFAOYSA-N -1 1 265.338 1.530 20 0 CDADMM CC1(C)C[C@H](NC(=O)c2ccc([O-])cc2F)C(=O)O1 ZINC001630889272 1166241109 /nfs/dbraw/zinc/24/11/09/1166241109.db2.gz YBIGYHDTXDZLTN-JTQLQIEISA-N -1 1 267.256 1.355 20 0 CDADMM CCC[C@@H](C)C(=O)NC(CC)(CC)c1nn[n-]n1 ZINC001634815370 1166538744 /nfs/dbraw/zinc/53/87/44/1166538744.db2.gz HJLGDBKOYMFSMP-SECBINFHSA-N -1 1 253.350 1.767 20 0 CDADMM CCC[C@@H](NC(=O)c1cccc(OC)c1O)c1nn[n-]n1 ZINC000095287812 1166620977 /nfs/dbraw/zinc/62/09/77/1166620977.db2.gz UOJGZOIDHKAMKQ-SECBINFHSA-N -1 1 291.311 1.185 20 0 CDADMM Cc1cccc(CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC000095325418 1166623007 /nfs/dbraw/zinc/62/30/07/1166623007.db2.gz SBSUBSFJGJYCPX-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1cccc(CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC000095325418 1166623012 /nfs/dbraw/zinc/62/30/12/1166623012.db2.gz SBSUBSFJGJYCPX-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1nocc1CNC(=O)c1ccc(F)c([O-])c1 ZINC001641565956 1167118549 /nfs/dbraw/zinc/11/85/49/1167118549.db2.gz MWBJLUPIUDNADE-UHFFFAOYSA-N -1 1 250.229 1.758 20 0 CDADMM Cn1cnc2cc(CNC(=O)c3ccc([O-])cn3)ccc21 ZINC001644840974 1167351565 /nfs/dbraw/zinc/35/15/65/1167351565.db2.gz GYOXKJLDERYWCG-UHFFFAOYSA-N -1 1 282.303 1.604 20 0 CDADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)[N-]N1CCCC1=O ZINC001645680610 1167464412 /nfs/dbraw/zinc/46/44/12/1167464412.db2.gz DQCDOJBMHKSROD-UHFFFAOYSA-N -1 1 276.218 1.004 20 0 CDADMM COCc1nocc1C(=O)[N-]c1nc2n(n1)CCCC2 ZINC001645889562 1167555982 /nfs/dbraw/zinc/55/59/82/1167555982.db2.gz TYTFGUCZFPJCJP-UHFFFAOYSA-N -1 1 277.284 1.001 20 0 CDADMM C[C@@H](CCC(C)(C)C)C(=O)N1CC[N@@H+](C)C[C@H](C(=O)[O-])C1 ZINC001609737816 1167948342 /nfs/dbraw/zinc/94/83/42/1167948342.db2.gz JRMRZFYQTSULKG-STQMWFEESA-N -1 1 298.427 1.924 20 0 CDADMM NC(=O)C[C@H](NCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC001647417981 1168670923 /nfs/dbraw/zinc/67/09/23/1168670923.db2.gz XTFYFGFQPWCPDP-VIFPVBQESA-N -1 1 291.134 1.412 20 0 CDADMM COC1CCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)CC1 ZINC001647553471 1168817001 /nfs/dbraw/zinc/81/70/01/1168817001.db2.gz KMYGQUACAMOQGS-UHFFFAOYSA-N -1 1 293.367 1.865 20 0 CDADMM CC[C@H]1CN(Cc2ccc3nonc3c2)C[C@]1(F)C(=O)[O-] ZINC001573826472 1170791930 /nfs/dbraw/zinc/79/19/30/1170791930.db2.gz RFESXAZVQLXDNH-IINYFYTJSA-N -1 1 293.298 1.858 20 0 CDADMM Cc1n[nH]c(CN2CC[C@H](c3cnccn3)C2)c1C(=O)[O-] ZINC001574114782 1170885508 /nfs/dbraw/zinc/88/55/08/1170885508.db2.gz XWNGAWYVDNFMCV-JTQLQIEISA-N -1 1 287.323 1.196 20 0 CDADMM Cc1cc(=O)[n-]c(C[NH2+][C@H](C)C2CCN(C(=O)[O-])CC2)n1 ZINC001574144399 1170895847 /nfs/dbraw/zinc/89/58/47/1170895847.db2.gz QFALRAUVDKZZFF-SNVBAGLBSA-N -1 1 294.355 1.359 20 0 CDADMM Cc1onc(CN[C@]23CCC[C@H]2OCC3)c1C(=O)[O-] ZINC001574208250 1170918975 /nfs/dbraw/zinc/91/89/75/1170918975.db2.gz XQXWHKRIHSJTGE-MFKMUULPSA-N -1 1 266.297 1.482 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C=Cc1cccs1 ZINC001581908993 1172627905 /nfs/dbraw/zinc/62/79/05/1172627905.db2.gz LKKXCABIZNESKQ-ARJAWSKDSA-N -1 1 287.308 1.061 20 0 CDADMM O=C(C=C1CCCC1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001581953117 1172634390 /nfs/dbraw/zinc/63/43/90/1172634390.db2.gz MDIGKRKYBNJOMT-UHFFFAOYSA-N -1 1 284.323 1.378 20 0 CDADMM O=C(C=C1CCCC1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001581953117 1172634395 /nfs/dbraw/zinc/63/43/95/1172634395.db2.gz MDIGKRKYBNJOMT-UHFFFAOYSA-N -1 1 284.323 1.378 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@H]1C1CC1 ZINC001582701395 1172689787 /nfs/dbraw/zinc/68/97/87/1172689787.db2.gz MBVVMUFSQWIENL-QMMMGPOBSA-N -1 1 259.269 1.084 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@H]1C1CC1 ZINC001582701395 1172689791 /nfs/dbraw/zinc/68/97/91/1172689791.db2.gz MBVVMUFSQWIENL-QMMMGPOBSA-N -1 1 259.269 1.084 20 0 CDADMM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)o1)C1CCC1 ZINC001589030996 1173120068 /nfs/dbraw/zinc/12/00/68/1173120068.db2.gz RLDDBHJNDZUEBN-QMMMGPOBSA-N -1 1 276.296 1.939 20 0 CDADMM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)o1)C1CCC1 ZINC001589030996 1173120074 /nfs/dbraw/zinc/12/00/74/1173120074.db2.gz RLDDBHJNDZUEBN-QMMMGPOBSA-N -1 1 276.296 1.939 20 0 CDADMM CC(C)(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001589104589 1173124840 /nfs/dbraw/zinc/12/48/40/1173124840.db2.gz DXJMYRVQYFBCQV-SECBINFHSA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001589104589 1173124842 /nfs/dbraw/zinc/12/48/42/1173124842.db2.gz DXJMYRVQYFBCQV-SECBINFHSA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)(O)C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001589329025 1173137201 /nfs/dbraw/zinc/13/72/01/1173137201.db2.gz YHAOOZLFEAWGAE-UHFFFAOYSA-N -1 1 288.355 1.249 20 0 CDADMM CC(C)(O)C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001589329025 1173137202 /nfs/dbraw/zinc/13/72/02/1173137202.db2.gz YHAOOZLFEAWGAE-UHFFFAOYSA-N -1 1 288.355 1.249 20 0 CDADMM CC(C)[C@H]1N(c2cncc(-c3nnn[n-]3)n2)CC12CC=CC2 ZINC001589519810 1173153000 /nfs/dbraw/zinc/15/30/00/1173153000.db2.gz MPVFYNVSGHLAFM-CYBMUJFWSA-N -1 1 297.366 1.838 20 0 CDADMM CC(C)[C@H]1N(c2cncc(-c3nn[n-]n3)n2)CC12CC=CC2 ZINC001589519810 1173153003 /nfs/dbraw/zinc/15/30/03/1173153003.db2.gz MPVFYNVSGHLAFM-CYBMUJFWSA-N -1 1 297.366 1.838 20 0 CDADMM CC(C)[C@@H]1C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589763296 1173175457 /nfs/dbraw/zinc/17/54/57/1173175457.db2.gz AOIMEQGCBDFUKI-GXSJLCMTSA-N -1 1 272.312 1.036 20 0 CDADMM CC(C)[C@@H]1C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589763296 1173175461 /nfs/dbraw/zinc/17/54/61/1173175461.db2.gz AOIMEQGCBDFUKI-GXSJLCMTSA-N -1 1 272.312 1.036 20 0 CDADMM CC(C)c1nccnc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589776465 1173178916 /nfs/dbraw/zinc/17/89/16/1173178916.db2.gz KETPJQOXFRGWGB-UHFFFAOYSA-N -1 1 299.294 1.625 20 0 CDADMM CC(C)c1nccnc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589776465 1173178922 /nfs/dbraw/zinc/17/89/22/1173178922.db2.gz KETPJQOXFRGWGB-UHFFFAOYSA-N -1 1 299.294 1.625 20 0 CDADMM C[C@@H](CC(C)(C)O)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001589797257 1173183371 /nfs/dbraw/zinc/18/33/71/1173183371.db2.gz YREZXEXUDINGQU-ZETCQYMHSA-N -1 1 296.762 1.877 20 0 CDADMM C[C@@H](CC(C)(C)O)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001589797257 1173183376 /nfs/dbraw/zinc/18/33/76/1173183376.db2.gz YREZXEXUDINGQU-ZETCQYMHSA-N -1 1 296.762 1.877 20 0 CDADMM C[C@H](CNc1cc(-c2nnn[n-]2)ncn1)CC(F)F ZINC001589875422 1173193977 /nfs/dbraw/zinc/19/39/77/1173193977.db2.gz FQTZDFBVYDADKV-LURJTMIESA-N -1 1 269.259 1.360 20 0 CDADMM C[C@H](CNc1cc(-c2nn[n-]n2)ncn1)CC(F)F ZINC001589875422 1173193984 /nfs/dbraw/zinc/19/39/84/1173193984.db2.gz FQTZDFBVYDADKV-LURJTMIESA-N -1 1 269.259 1.360 20 0 CDADMM CC(C)(CNC(=O)c1ccc(-c2nnn[n-]2)o1)C(C)(F)F ZINC001589905781 1173201376 /nfs/dbraw/zinc/20/13/76/1173201376.db2.gz LZBSFZSUIUAWHB-UHFFFAOYSA-N -1 1 299.281 1.871 20 0 CDADMM CC(C)(CNC(=O)c1ccc(-c2nn[n-]n2)o1)C(C)(F)F ZINC001589905781 1173201379 /nfs/dbraw/zinc/20/13/79/1173201379.db2.gz LZBSFZSUIUAWHB-UHFFFAOYSA-N -1 1 299.281 1.871 20 0 CDADMM C[C@@H](NC(=O)c1ccsc1-c1nnn[n-]1)c1ccc[nH]1 ZINC001589950663 1173210102 /nfs/dbraw/zinc/21/01/02/1173210102.db2.gz YBNMDIDXRJAZKN-SSDOTTSWSA-N -1 1 288.336 1.747 20 0 CDADMM C[C@@H](NC(=O)c1ccsc1-c1nn[n-]n1)c1ccc[nH]1 ZINC001589950663 1173210106 /nfs/dbraw/zinc/21/01/06/1173210106.db2.gz YBNMDIDXRJAZKN-SSDOTTSWSA-N -1 1 288.336 1.747 20 0 CDADMM C[C@@H](NCc1nc(-c2nnn[n-]2)cs1)c1cncs1 ZINC001589976860 1173218845 /nfs/dbraw/zinc/21/88/45/1173218845.db2.gz PBYBGRFOOHWETO-ZCFIWIBFSA-N -1 1 293.381 1.631 20 0 CDADMM C[C@@H](NCc1nc(-c2nn[n-]n2)cs1)c1cncs1 ZINC001589976860 1173218851 /nfs/dbraw/zinc/21/88/51/1173218851.db2.gz PBYBGRFOOHWETO-ZCFIWIBFSA-N -1 1 293.381 1.631 20 0 CDADMM CC1(C(=O)OCc2nc(-c3nnn[n-]3)cs2)CC=CC1 ZINC001590075073 1173246686 /nfs/dbraw/zinc/24/66/86/1173246686.db2.gz ZJOCZVVNKYQNMX-UHFFFAOYSA-N -1 1 291.336 1.723 20 0 CDADMM CC1(C(=O)OCc2nc(-c3nn[n-]n3)cs2)CC=CC1 ZINC001590075073 1173246688 /nfs/dbraw/zinc/24/66/88/1173246688.db2.gz ZJOCZVVNKYQNMX-UHFFFAOYSA-N -1 1 291.336 1.723 20 0 CDADMM CC1(C)C[C@]1(C)CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590087854 1173251634 /nfs/dbraw/zinc/25/16/34/1173251634.db2.gz ZSHZJBFLXBKTNF-CQSZACIVSA-N -1 1 286.339 1.428 20 0 CDADMM CC1(C)C[C@]1(C)CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590087854 1173251638 /nfs/dbraw/zinc/25/16/38/1173251638.db2.gz ZSHZJBFLXBKTNF-CQSZACIVSA-N -1 1 286.339 1.428 20 0 CDADMM CC1=NO[C@H](CNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001590161967 1173278035 /nfs/dbraw/zinc/27/80/35/1173278035.db2.gz JAFADTRSUSUTHV-YFKPBYRVSA-N -1 1 299.747 1.553 20 0 CDADMM CC1=NO[C@H](CNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001590161967 1173278037 /nfs/dbraw/zinc/27/80/37/1173278037.db2.gz JAFADTRSUSUTHV-YFKPBYRVSA-N -1 1 299.747 1.553 20 0 CDADMM C[C@@H]1CC(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC001590187145 1173283562 /nfs/dbraw/zinc/28/35/62/1173283562.db2.gz IVWKNZGHDHXYQF-YUMQZZPRSA-N -1 1 289.343 1.601 20 0 CDADMM C[C@H]1C[C@H](C)CN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001590191834 1173288080 /nfs/dbraw/zinc/28/80/80/1173288080.db2.gz SWVMPBPJEPZEQX-IUCAKERBSA-N -1 1 259.317 1.139 20 0 CDADMM C[C@H]1C[C@H](C)CN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001590191834 1173288083 /nfs/dbraw/zinc/28/80/83/1173288083.db2.gz SWVMPBPJEPZEQX-IUCAKERBSA-N -1 1 259.317 1.139 20 0 CDADMM C[C@@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)n2)c2nccn21 ZINC001590208122 1173292883 /nfs/dbraw/zinc/29/28/83/1173292883.db2.gz KXKDKFVPVHEJNU-SCZZXKLOSA-N -1 1 282.311 1.576 20 0 CDADMM C[C@@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)n2)c2nccn21 ZINC001590208122 1173292890 /nfs/dbraw/zinc/29/28/90/1173292890.db2.gz KXKDKFVPVHEJNU-SCZZXKLOSA-N -1 1 282.311 1.576 20 0 CDADMM C[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCS1 ZINC001590208339 1173293147 /nfs/dbraw/zinc/29/31/47/1173293147.db2.gz GMRNTFAHBWCLQL-HTQZYQBOSA-N -1 1 277.357 1.353 20 0 CDADMM C[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCS1 ZINC001590208339 1173293152 /nfs/dbraw/zinc/29/31/52/1173293152.db2.gz GMRNTFAHBWCLQL-HTQZYQBOSA-N -1 1 277.357 1.353 20 0 CDADMM C[C@H]1CCC(=O)CN1C(=O)c1ccsc1-c1nnn[n-]1 ZINC001590218541 1173298335 /nfs/dbraw/zinc/29/83/35/1173298335.db2.gz JJDMEBASFJLFIL-ZETCQYMHSA-N -1 1 291.336 1.122 20 0 CDADMM C[C@H]1CCC(=O)CN1C(=O)c1ccsc1-c1nn[n-]n1 ZINC001590218541 1173298342 /nfs/dbraw/zinc/29/83/42/1173298342.db2.gz JJDMEBASFJLFIL-ZETCQYMHSA-N -1 1 291.336 1.122 20 0 CDADMM C[C@@H]1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001590239849 1173310454 /nfs/dbraw/zinc/31/04/54/1173310454.db2.gz ORVCARBORGQEIF-QMTHXVAHSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@@H]1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001590239849 1173310457 /nfs/dbraw/zinc/31/04/57/1173310457.db2.gz ORVCARBORGQEIF-QMTHXVAHSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@@H]1CCC[C@H]1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590245839 1173316899 /nfs/dbraw/zinc/31/68/99/1173316899.db2.gz APDVVFSYPSECNK-PSASIEDQSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@@H]1CCC[C@H]1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590245839 1173316905 /nfs/dbraw/zinc/31/69/05/1173316905.db2.gz APDVVFSYPSECNK-PSASIEDQSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@H]1COCC[C@@H]1OC(=O)c1sccc1-c1nn[n-]n1 ZINC001590326787 1173358948 /nfs/dbraw/zinc/35/89/48/1173358948.db2.gz UBBPJWMGANTGER-CBAPKCEASA-N -1 1 294.336 1.510 20 0 CDADMM CC[C@@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)[C@H]1CCCO1 ZINC001590472344 1173424480 /nfs/dbraw/zinc/42/44/80/1173424480.db2.gz TVIUWZRRUHGCJD-MWLCHTKSSA-N -1 1 289.343 1.335 20 0 CDADMM CC[C@@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)[C@H]1CCCO1 ZINC001590472344 1173424483 /nfs/dbraw/zinc/42/44/83/1173424483.db2.gz TVIUWZRRUHGCJD-MWLCHTKSSA-N -1 1 289.343 1.335 20 0 CDADMM CC[C@H]1CCC[C@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590508988 1173442146 /nfs/dbraw/zinc/44/21/46/1173442146.db2.gz TYQZQIPSMRMLMS-JGVFFNPUSA-N -1 1 275.316 1.355 20 0 CDADMM CC[C@H]1CCC[C@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590508988 1173442154 /nfs/dbraw/zinc/44/21/54/1173442154.db2.gz TYQZQIPSMRMLMS-JGVFFNPUSA-N -1 1 275.316 1.355 20 0 CDADMM CC[C@H]1CCN(c2ccc(C)nc2-c2nnn[n-]2)C1 ZINC001590514769 1173446124 /nfs/dbraw/zinc/44/61/24/1173446124.db2.gz MVVUMEAXCIGCJB-JTQLQIEISA-N -1 1 258.329 1.806 20 0 CDADMM CC[C@H]1CCN(c2ccc(C)nc2-c2nn[n-]n2)C1 ZINC001590514769 1173446127 /nfs/dbraw/zinc/44/61/27/1173446127.db2.gz MVVUMEAXCIGCJB-JTQLQIEISA-N -1 1 258.329 1.806 20 0 CDADMM CCC[C@H](O)CNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001590560087 1173463903 /nfs/dbraw/zinc/46/39/03/1173463903.db2.gz LKGRJIRWEZQDFO-VIFPVBQESA-N -1 1 262.317 1.143 20 0 CDADMM CCCOCn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001590644660 1173481224 /nfs/dbraw/zinc/48/12/24/1173481224.db2.gz KMSBMSHUFZUBRC-UHFFFAOYSA-N -1 1 285.311 1.509 20 0 CDADMM CCN(C)c1ccc(CNc2n[nH]cc2-c2nnn[n-]2)cn1 ZINC001590678748 1173489837 /nfs/dbraw/zinc/48/98/37/1173489837.db2.gz FHKALQJWTUMCRK-UHFFFAOYSA-N -1 1 299.342 1.053 20 0 CDADMM CCN(C)c1ccc(CNc2n[nH]cc2-c2nn[n-]n2)cn1 ZINC001590678748 1173489842 /nfs/dbraw/zinc/48/98/42/1173489842.db2.gz FHKALQJWTUMCRK-UHFFFAOYSA-N -1 1 299.342 1.053 20 0 CDADMM CCN(OC)C(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001590723497 1173500452 /nfs/dbraw/zinc/50/04/52/1173500452.db2.gz KOKZUZXBTUPYLD-UHFFFAOYSA-N -1 1 286.295 1.372 20 0 CDADMM CCO[C@H](Cn1ccc(C)c(-c2nn[n-]n2)c1=O)C1CC1 ZINC001590786079 1173511307 /nfs/dbraw/zinc/51/13/07/1173511307.db2.gz ZPKCVPGIIDQXJN-LLVKDONJSA-N -1 1 289.339 1.152 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N(CC)Cc2ccoc2)n1 ZINC001590904935 1173537940 /nfs/dbraw/zinc/53/79/40/1173537940.db2.gz NOYRKZRABKLRGW-UHFFFAOYSA-N -1 1 299.338 1.839 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N(CC)Cc2ccoc2)n1 ZINC001590904935 1173537944 /nfs/dbraw/zinc/53/79/44/1173537944.db2.gz NOYRKZRABKLRGW-UHFFFAOYSA-N -1 1 299.338 1.839 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC3(CCCC3)C2)n1 ZINC001590906852 1173540080 /nfs/dbraw/zinc/54/00/80/1173540080.db2.gz ZDLGWICQAKFQMD-UHFFFAOYSA-N -1 1 299.382 1.990 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC3(CCCC3)C2)n1 ZINC001590906852 1173540087 /nfs/dbraw/zinc/54/00/87/1173540087.db2.gz ZDLGWICQAKFQMD-UHFFFAOYSA-N -1 1 299.382 1.990 20 0 CDADMM CCc1nc(NC2(C3(C)CC3)CC2)cc(-c2nnn[n-]2)n1 ZINC001590915850 1173542558 /nfs/dbraw/zinc/54/25/58/1173542558.db2.gz RHZUFYCZHUTWIV-UHFFFAOYSA-N -1 1 285.355 1.964 20 0 CDADMM CCc1nc(NC2(C3(C)CC3)CC2)cc(-c2nn[n-]n2)n1 ZINC001590915850 1173542562 /nfs/dbraw/zinc/54/25/62/1173542562.db2.gz RHZUFYCZHUTWIV-UHFFFAOYSA-N -1 1 285.355 1.964 20 0 CDADMM CCc1nc(NCCC2CC=CC2)cc(-c2nnn[n-]2)n1 ZINC001590920509 1173543576 /nfs/dbraw/zinc/54/35/76/1173543576.db2.gz XWYCNUOARLLFGB-UHFFFAOYSA-N -1 1 285.355 1.987 20 0 CDADMM CCc1nc(NCCC2CC=CC2)cc(-c2nn[n-]n2)n1 ZINC001590920509 1173543580 /nfs/dbraw/zinc/54/35/80/1173543580.db2.gz XWYCNUOARLLFGB-UHFFFAOYSA-N -1 1 285.355 1.987 20 0 CDADMM CN(C(=O)c1ccc(-c2nnn[n-]2)o1)C1CCCCC1 ZINC001590992749 1173557668 /nfs/dbraw/zinc/55/76/68/1173557668.db2.gz WQTFDXWQXDLLIB-UHFFFAOYSA-N -1 1 275.312 1.864 20 0 CDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)o1)C1CCCCC1 ZINC001590992749 1173557674 /nfs/dbraw/zinc/55/76/74/1173557674.db2.gz WQTFDXWQXDLLIB-UHFFFAOYSA-N -1 1 275.312 1.864 20 0 CDADMM CN(C(=O)[C@@H]1C[C@H]1C1CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590986793 1173558420 /nfs/dbraw/zinc/55/84/20/1173558420.db2.gz OVZFWKGSFMZHHE-NWDGAFQWSA-N -1 1 298.350 1.661 20 0 CDADMM CN(C(=O)[C@@H]1C[C@H]1C1CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590986793 1173558426 /nfs/dbraw/zinc/55/84/26/1173558426.db2.gz OVZFWKGSFMZHHE-NWDGAFQWSA-N -1 1 298.350 1.661 20 0 CDADMM COC(C)(C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001591316397 1173601825 /nfs/dbraw/zinc/60/18/25/1173601825.db2.gz IFJNEBZIWXPOGL-MRVPVSSYSA-N -1 1 277.332 1.272 20 0 CDADMM COC(C)(C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001591316397 1173601828 /nfs/dbraw/zinc/60/18/28/1173601828.db2.gz IFJNEBZIWXPOGL-MRVPVSSYSA-N -1 1 277.332 1.272 20 0 CDADMM CO[C@@H](C)c1cccc(Nc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001591324591 1173612066 /nfs/dbraw/zinc/61/20/66/1173612066.db2.gz ASPZRIYPDUMNJY-VIFPVBQESA-N -1 1 297.322 1.530 20 0 CDADMM COC1(CNc2ccc(C)nc2-c2nnn[n-]2)CCCC1 ZINC001591342721 1173621023 /nfs/dbraw/zinc/62/10/23/1173621023.db2.gz KDUWOYNYDFKURQ-UHFFFAOYSA-N -1 1 288.355 1.941 20 0 CDADMM COC1(CNc2ccc(C)nc2-c2nn[n-]n2)CCCC1 ZINC001591342721 1173621026 /nfs/dbraw/zinc/62/10/26/1173621026.db2.gz KDUWOYNYDFKURQ-UHFFFAOYSA-N -1 1 288.355 1.941 20 0 CDADMM CO[C@H]1CC[C@@H](OC(=O)c2cc(-c3nnn[n-]3)oc2C)C1 ZINC001591351110 1173622467 /nfs/dbraw/zinc/62/24/67/1173622467.db2.gz KDLXJHGMABAFHG-DTWKUNHWSA-N -1 1 292.295 1.492 20 0 CDADMM CO[C@H]1CC[C@@H](OC(=O)c2cc(-c3nn[n-]n3)oc2C)C1 ZINC001591351110 1173622470 /nfs/dbraw/zinc/62/24/70/1173622470.db2.gz KDLXJHGMABAFHG-DTWKUNHWSA-N -1 1 292.295 1.492 20 0 CDADMM CO[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591359075 1173628200 /nfs/dbraw/zinc/62/82/00/1173628200.db2.gz AJWDWAZWUBFXGT-WCBMZHEXSA-N -1 1 288.311 1.015 20 0 CDADMM CO[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591359075 1173628204 /nfs/dbraw/zinc/62/82/04/1173628204.db2.gz AJWDWAZWUBFXGT-WCBMZHEXSA-N -1 1 288.311 1.015 20 0 CDADMM COC[C@H]1CCCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001591392820 1173641763 /nfs/dbraw/zinc/64/17/63/1173641763.db2.gz PKNOWFJRADHHFM-NSHDSACASA-N -1 1 288.355 1.515 20 0 CDADMM COC[C@H]1CCCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001591392820 1173641767 /nfs/dbraw/zinc/64/17/67/1173641767.db2.gz PKNOWFJRADHHFM-NSHDSACASA-N -1 1 288.355 1.515 20 0 CDADMM C[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)C1CCCC1 ZINC001591730089 1173692263 /nfs/dbraw/zinc/69/22/63/1173692263.db2.gz SHVIILKLORIOSW-MRVPVSSYSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)C1CCCC1 ZINC001591730089 1173692266 /nfs/dbraw/zinc/69/22/66/1173692266.db2.gz SHVIILKLORIOSW-MRVPVSSYSA-N -1 1 259.317 1.647 20 0 CDADMM Cc1cc(C)cc(Cn2cnc(-c3nn[n-]n3)cc2=O)c1 ZINC001591954245 1173753205 /nfs/dbraw/zinc/75/32/05/1173753205.db2.gz MQYFXNCBJSLKAQ-UHFFFAOYSA-N -1 1 282.307 1.089 20 0 CDADMM Cc1cc(C)c(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)o1 ZINC001591947041 1173753650 /nfs/dbraw/zinc/75/36/50/1173753650.db2.gz LAPWGUKINFMGTQ-UHFFFAOYSA-N -1 1 273.256 1.052 20 0 CDADMM Cc1cc(CNc2n[nH]cc2-c2nnn[n-]2)cs1 ZINC001591969841 1173763515 /nfs/dbraw/zinc/76/35/15/1173763515.db2.gz QBBCXZQSRPRBEP-UHFFFAOYSA-N -1 1 261.314 1.572 20 0 CDADMM Cc1cc(CNc2n[nH]cc2-c2nn[n-]n2)cs1 ZINC001591969841 1173763521 /nfs/dbraw/zinc/76/35/21/1173763521.db2.gz QBBCXZQSRPRBEP-UHFFFAOYSA-N -1 1 261.314 1.572 20 0 CDADMM Cc1nc([C@H](C)Nc2cc(C)cc(-c3nnn[n-]3)n2)no1 ZINC001592034339 1173779087 /nfs/dbraw/zinc/77/90/87/1173779087.db2.gz IKMUXXXOKJPBBL-ZETCQYMHSA-N -1 1 286.299 1.435 20 0 CDADMM Cc1nc([C@H](C)Nc2cc(C)cc(-c3nn[n-]n3)n2)no1 ZINC001592034339 1173779096 /nfs/dbraw/zinc/77/90/96/1173779096.db2.gz IKMUXXXOKJPBBL-ZETCQYMHSA-N -1 1 286.299 1.435 20 0 CDADMM Cc1cc(N[C@@H]2COC3(CCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001592039477 1173781091 /nfs/dbraw/zinc/78/10/91/1173781091.db2.gz JVLCRJLCZZYVJT-NSHDSACASA-N -1 1 286.339 1.116 20 0 CDADMM Cc1cc(N[C@@H]2COC3(CCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001592039477 1173781095 /nfs/dbraw/zinc/78/10/95/1173781095.db2.gz JVLCRJLCZZYVJT-NSHDSACASA-N -1 1 286.339 1.116 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC[C@](C)(CO)C1 ZINC001592109936 1173802852 /nfs/dbraw/zinc/80/28/52/1173802852.db2.gz IQPACVFKAOAKBN-AWEZNQCLSA-N -1 1 288.355 1.169 20 0 CDADMM Cc1cccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1C ZINC001592221239 1173832174 /nfs/dbraw/zinc/83/21/74/1173832174.db2.gz WUUCISWFFCVEHN-UHFFFAOYSA-N -1 1 297.322 1.469 20 0 CDADMM Cc1cccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1C ZINC001592221239 1173832179 /nfs/dbraw/zinc/83/21/79/1173832179.db2.gz WUUCISWFFCVEHN-UHFFFAOYSA-N -1 1 297.322 1.469 20 0 CDADMM Cc1cccc(C)c1CNc1ncncc1-c1nn[n-]n1 ZINC001592223358 1173833875 /nfs/dbraw/zinc/83/38/75/1173833875.db2.gz DIPFWWOLSSUZKV-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1ccccc1COc1cnc(-c2nn[n-]n2)nc1 ZINC001592257853 1173837815 /nfs/dbraw/zinc/83/78/15/1173837815.db2.gz QUUIUFGQOYEPKG-UHFFFAOYSA-N -1 1 268.280 1.544 20 0 CDADMM Cc1nsc(NCc2ncc(C)cn2)c1-c1nn[n-]n1 ZINC001592293625 1173849304 /nfs/dbraw/zinc/84/93/04/1173849304.db2.gz CZTONNDOKRNCIQ-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Cc1cscc1CNc1nccnc1-c1nnn[n-]1 ZINC001592324447 1173854503 /nfs/dbraw/zinc/85/45/03/1173854503.db2.gz OTDNRJUYUCHVMN-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1cscc1CNc1nccnc1-c1nn[n-]n1 ZINC001592324447 1173854507 /nfs/dbraw/zinc/85/45/07/1173854507.db2.gz OTDNRJUYUCHVMN-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1[nH]nc(NC(=O)C[C@@H]2C[C@H]2C2CC2)c1-c1nn[n-]n1 ZINC001592328921 1173856802 /nfs/dbraw/zinc/85/68/02/1173856802.db2.gz ZLLZUGMRNAEPGA-IUCAKERBSA-N -1 1 287.327 1.273 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCc3ccccc3C2)n1 ZINC001592341659 1173862139 /nfs/dbraw/zinc/86/21/39/1173862139.db2.gz ZEJPPFPXCIPHCK-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCc3ccccc3C2)n1 ZINC001592341659 1173862142 /nfs/dbraw/zinc/86/21/42/1173862142.db2.gz ZEJPPFPXCIPHCK-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM Cc1nc(-c2nn[n-]n2)sc1-c1ccnc(N(C)C)c1 ZINC001592341101 1173862792 /nfs/dbraw/zinc/86/27/92/1173862792.db2.gz QRGQVTYOOUHOGI-UHFFFAOYSA-N -1 1 287.352 1.760 20 0 CDADMM Cc1[nH]c(=NOCC(C)(C)O)c(Cl)cc1-c1nn[n-]n1 ZINC001592393715 1173879946 /nfs/dbraw/zinc/87/99/46/1173879946.db2.gz IHGSRNMNDWJVFO-UHFFFAOYSA-N -1 1 298.734 1.338 20 0 CDADMM Cc1nccc(NC(=O)c2csc(-c3nn[n-]n3)c2)n1 ZINC001592416293 1173884558 /nfs/dbraw/zinc/88/45/58/1173884558.db2.gz KOKKYRQFARKZGD-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1ncc(NC(=O)c2csc(-c3nn[n-]n3)c2)cn1 ZINC001592411555 1173885467 /nfs/dbraw/zinc/88/54/67/1173885467.db2.gz CHIXZENTCYXCPY-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)c1cnccn1 ZINC001592501937 1173907582 /nfs/dbraw/zinc/90/75/82/1173907582.db2.gz XVCHQMABQIPHBO-SSDOTTSWSA-N -1 1 299.294 1.049 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)c1cnccn1 ZINC001592501937 1173907589 /nfs/dbraw/zinc/90/75/89/1173907589.db2.gz XVCHQMABQIPHBO-SSDOTTSWSA-N -1 1 299.294 1.049 20 0 CDADMM FC1(F)CC12CC(Nc1cccnc1-c1nnn[n-]1)C2 ZINC001592630942 1173941311 /nfs/dbraw/zinc/94/13/11/1173941311.db2.gz UWWMQPCJRUNUKX-UHFFFAOYSA-N -1 1 278.266 1.861 20 0 CDADMM FC1(F)CC12CC(Nc1cccnc1-c1nn[n-]n1)C2 ZINC001592630942 1173941315 /nfs/dbraw/zinc/94/13/15/1173941315.db2.gz UWWMQPCJRUNUKX-UHFFFAOYSA-N -1 1 278.266 1.861 20 0 CDADMM Fc1cccc(COc2cnc(-c3nn[n-]n3)nc2)c1 ZINC001592657493 1173954427 /nfs/dbraw/zinc/95/44/27/1173954427.db2.gz PYSQHLSSZBQABA-UHFFFAOYSA-N -1 1 272.243 1.375 20 0 CDADMM O=C(C[C@@H]1CC=CCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592816721 1173995869 /nfs/dbraw/zinc/99/58/69/1173995869.db2.gz PIDMGWHBVXFRBO-SNVBAGLBSA-N -1 1 284.323 1.947 20 0 CDADMM O=C(C[C@@H]1CC=CCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592816721 1173995875 /nfs/dbraw/zinc/99/58/75/1173995875.db2.gz PIDMGWHBVXFRBO-SNVBAGLBSA-N -1 1 284.323 1.947 20 0 CDADMM O=C(CCCF)OCc1cccnc1-c1nnn[n-]1 ZINC001592836491 1173998755 /nfs/dbraw/zinc/99/87/55/1173998755.db2.gz LAAVASCIZFEHCZ-UHFFFAOYSA-N -1 1 265.248 1.055 20 0 CDADMM O=C(CCCF)OCc1cccnc1-c1nn[n-]n1 ZINC001592836491 1173998762 /nfs/dbraw/zinc/99/87/62/1173998762.db2.gz LAAVASCIZFEHCZ-UHFFFAOYSA-N -1 1 265.248 1.055 20 0 CDADMM O=C(N[C@@H]1CC12CC2)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001592966772 1174008663 /nfs/dbraw/zinc/00/86/63/1174008663.db2.gz HUNHFPKEQZZZCC-SNVBAGLBSA-N -1 1 294.318 1.630 20 0 CDADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCc2cccnc21 ZINC001593361982 1174071094 /nfs/dbraw/zinc/07/10/94/1174071094.db2.gz FOPWYYQUHPEMCO-UHFFFAOYSA-N -1 1 298.331 1.526 20 0 CDADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCc2cccnc21 ZINC001593361982 1174071102 /nfs/dbraw/zinc/07/11/02/1174071102.db2.gz FOPWYYQUHPEMCO-UHFFFAOYSA-N -1 1 298.331 1.526 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCCC12CCC2 ZINC001593368114 1174071756 /nfs/dbraw/zinc/07/17/56/1174071756.db2.gz SXPWQOXPLWFXSK-UHFFFAOYSA-N -1 1 273.296 1.618 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCCC12CCC2 ZINC001593368114 1174071760 /nfs/dbraw/zinc/07/17/60/1174071760.db2.gz SXPWQOXPLWFXSK-UHFFFAOYSA-N -1 1 273.296 1.618 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1C[C@H]2CCCC[C@H]21 ZINC001593369724 1174072224 /nfs/dbraw/zinc/07/22/24/1174072224.db2.gz OAAXPKUPJDVAJH-PSASIEDQSA-N -1 1 273.296 1.474 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1C[C@H]2CCCC[C@H]21 ZINC001593369724 1174072230 /nfs/dbraw/zinc/07/22/30/1174072230.db2.gz OAAXPKUPJDVAJH-PSASIEDQSA-N -1 1 273.296 1.474 20 0 CDADMM c1cc(N2CC[C@H](C3CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001593557383 1174130665 /nfs/dbraw/zinc/13/06/65/1174130665.db2.gz KQZLFTIIDVTAOP-JTQLQIEISA-N -1 1 256.313 1.498 20 0 CDADMM c1cc(N2CC[C@H](C3CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001593557383 1174130670 /nfs/dbraw/zinc/13/06/70/1174130670.db2.gz KQZLFTIIDVTAOP-JTQLQIEISA-N -1 1 256.313 1.498 20 0 CDADMM c1cc(N2CC[C@@H]([C@@H]3CCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001593557646 1174131926 /nfs/dbraw/zinc/13/19/26/1174131926.db2.gz QBXUVBFRFLDADK-GHMZBOCLSA-N -1 1 286.339 1.125 20 0 CDADMM c1cc(N2CC[C@@H]([C@@H]3CCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001593557646 1174131931 /nfs/dbraw/zinc/13/19/31/1174131931.db2.gz QBXUVBFRFLDADK-GHMZBOCLSA-N -1 1 286.339 1.125 20 0 CDADMM c1csc(NCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001593557075 1174131947 /nfs/dbraw/zinc/13/19/47/1174131947.db2.gz HBXRGBDOLWZBDN-UHFFFAOYSA-N -1 1 259.298 1.330 20 0 CDADMM c1csc(NCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001593557075 1174131950 /nfs/dbraw/zinc/13/19/50/1174131950.db2.gz HBXRGBDOLWZBDN-UHFFFAOYSA-N -1 1 259.298 1.330 20 0 CDADMM c1cc(NC2([C@@H]3CCCO3)CCC2)nc(-c2nnn[n-]2)c1 ZINC001593558462 1174134356 /nfs/dbraw/zinc/13/43/56/1174134356.db2.gz OCUDRBPGEMWCMJ-NSHDSACASA-N -1 1 286.339 1.775 20 0 CDADMM c1cc(NC2([C@@H]3CCCO3)CCC2)nc(-c2nn[n-]n2)c1 ZINC001593558462 1174134360 /nfs/dbraw/zinc/13/43/60/1174134360.db2.gz OCUDRBPGEMWCMJ-NSHDSACASA-N -1 1 286.339 1.775 20 0 CDADMM c1ccc2c(c1)CCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001593580589 1174147694 /nfs/dbraw/zinc/14/76/94/1174147694.db2.gz NSRMLUVWPHEPNJ-UHFFFAOYSA-N -1 1 279.307 1.219 20 0 CDADMM c1cnc2c(c1)CCC[C@H]2Nc1cc(-c2nnn[n-]2)ncn1 ZINC001593587116 1174152129 /nfs/dbraw/zinc/15/21/29/1174152129.db2.gz DLTAAAZLVAZBRD-SNVBAGLBSA-N -1 1 294.322 1.541 20 0 CDADMM c1cnc2c(c1)CCC[C@H]2Nc1cc(-c2nn[n-]n2)ncn1 ZINC001593587116 1174152135 /nfs/dbraw/zinc/15/21/35/1174152135.db2.gz DLTAAAZLVAZBRD-SNVBAGLBSA-N -1 1 294.322 1.541 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OCCC2CCOCC2)c1 ZINC001593584359 1174152875 /nfs/dbraw/zinc/15/28/75/1174152875.db2.gz LKKYZKSOQZXGHG-UHFFFAOYSA-N -1 1 275.312 1.457 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OCCC2CCOCC2)c1 ZINC001593584359 1174152880 /nfs/dbraw/zinc/15/28/80/1174152880.db2.gz LKKYZKSOQZXGHG-UHFFFAOYSA-N -1 1 275.312 1.457 20 0 CDADMM c1nc(N[C@@H]2C[C@H]3CCC[C@@H]32)cc(-c2nnn[n-]2)n1 ZINC001593591092 1174159421 /nfs/dbraw/zinc/15/94/21/1174159421.db2.gz LGVXFNFHWRLVTE-HRDYMLBCSA-N -1 1 257.301 1.257 20 0 CDADMM c1nc(N[C@@H]2C[C@H]3CCC[C@@H]32)cc(-c2nn[n-]n2)n1 ZINC001593591092 1174159424 /nfs/dbraw/zinc/15/94/24/1174159424.db2.gz LGVXFNFHWRLVTE-HRDYMLBCSA-N -1 1 257.301 1.257 20 0 CDADMM COC(=O)[C@@]1(OC)CCN(Cc2csc(C(=O)[O-])c2)C1 ZINC001598725953 1174319222 /nfs/dbraw/zinc/31/92/22/1174319222.db2.gz NHSDFQNABMOZJK-CYBMUJFWSA-N -1 1 299.348 1.210 20 0 CDADMM Cc1cn[nH]c1CSCc1cnc(C(=O)[O-])cn1 ZINC001600062029 1174349917 /nfs/dbraw/zinc/34/99/17/1174349917.db2.gz KHSLYRLCKPAFQL-UHFFFAOYSA-N -1 1 264.310 1.640 20 0 CDADMM Cc1cc(N)nc(N2Cc3ccccc3[C@@H](C(=O)[O-])C2)n1 ZINC001600237599 1174419121 /nfs/dbraw/zinc/41/91/21/1174419121.db2.gz TTZCJXWRZVXPKU-LBPRGKRZSA-N -1 1 284.319 1.556 20 0 CDADMM O=C(Cn1cccc([N+](=O)[O-])c1=O)c1ccc([O-])cc1O ZINC000095393748 1174527298 /nfs/dbraw/zinc/52/72/98/1174527298.db2.gz DBMBVUATFNARKU-UHFFFAOYSA-N -1 1 290.231 1.051 20 0 CDADMM Cc1coc(CC(=O)[O-])c1C(=O)N1CC(N2CCCC2)C1 ZINC001600639724 1174548343 /nfs/dbraw/zinc/54/83/43/1174548343.db2.gz ASRCMZXBTLAPJZ-UHFFFAOYSA-N -1 1 292.335 1.135 20 0 CDADMM O=C([O-])C1(CNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)CCCC1 ZINC001601470469 1174879007 /nfs/dbraw/zinc/87/90/07/1174879007.db2.gz QUWKULICANXBEI-ZDUSSCGKSA-N -1 1 294.395 1.765 20 0 CDADMM O=C([O-])C1(CNC(=O)[C@@H]2CCN2C2CCCC2)CCCC1 ZINC001601470469 1174879011 /nfs/dbraw/zinc/87/90/11/1174879011.db2.gz QUWKULICANXBEI-ZDUSSCGKSA-N -1 1 294.395 1.765 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)c3cncs3)[nH]c21 ZINC001601630782 1174917501 /nfs/dbraw/zinc/91/75/01/1174917501.db2.gz KWPWFTKVRYEMFR-UHFFFAOYSA-N -1 1 288.288 1.970 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)c3ccc(=O)[nH]n3)[nH]c21 ZINC001601632326 1174918566 /nfs/dbraw/zinc/91/85/66/1174918566.db2.gz GIMBWQCJQNOWKD-UHFFFAOYSA-N -1 1 299.246 1.009 20 0 CDADMM O=C([O-])[C@@H](CF)NCc1cnc2ccc(Cl)cn12 ZINC001601650051 1174930801 /nfs/dbraw/zinc/93/08/01/1174930801.db2.gz OCBYFCXQBWABIY-SECBINFHSA-N -1 1 271.679 1.500 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](O)CN1Cc1ccc2[nH]ccc2c1 ZINC001601774679 1175001797 /nfs/dbraw/zinc/00/17/97/1175001797.db2.gz ZFYFKNQRYPOTAA-AAEUAGOBSA-N -1 1 260.293 1.188 20 0 CDADMM O=C([O-])[C@@H]1CCN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC001601834996 1175029246 /nfs/dbraw/zinc/02/92/46/1175029246.db2.gz QZRACYGNGCQJGQ-LBPRGKRZSA-N -1 1 277.324 1.757 20 0 CDADMM O=C([O-])[C@@H]1CN(CN2CCC[C@@H](C3CCC3)C2)C(=O)O1 ZINC001602189035 1175156738 /nfs/dbraw/zinc/15/67/38/1175156738.db2.gz XLSMCNQPLAPERJ-NEPJUHHUSA-N -1 1 282.340 1.361 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2cccc(-c3cn[nH]n3)c2)on1 ZINC001602249303 1175180884 /nfs/dbraw/zinc/18/08/84/1175180884.db2.gz MNGQPHUVABXBHN-UHFFFAOYSA-N -1 1 299.246 1.410 20 0 CDADMM O=C([O-])c1ccc(Cl)c(CN2CC[C@@H](CO)C2)c1 ZINC001602358484 1175222566 /nfs/dbraw/zinc/22/25/66/1175222566.db2.gz UBPBOWZNCIOJBT-SECBINFHSA-N -1 1 269.728 1.852 20 0 CDADMM O=C([O-])c1cccc(Cl)c1CN(CCO)CCCO ZINC001602441169 1175242257 /nfs/dbraw/zinc/24/22/57/1175242257.db2.gz IMVRBQKJIDNKOV-UHFFFAOYSA-N -1 1 287.743 1.215 20 0 CDADMM O=C([O-])c1cnc(CN2CCC[C@H](c3ncc[nH]3)C2)cn1 ZINC001602519701 1175265246 /nfs/dbraw/zinc/26/52/46/1175265246.db2.gz DHFPTWUEONEXBB-JTQLQIEISA-N -1 1 287.323 1.278 20 0 CDADMM O=C([O-])c1cnc(CNCC2(Br)CC2)s1 ZINC001602521363 1175269955 /nfs/dbraw/zinc/26/99/55/1175269955.db2.gz QDZCHFBKLRWRGS-UHFFFAOYSA-N -1 1 291.170 1.858 20 0 CDADMM O=C([O-])c1cncc(CN2CCC(O)(C3CCC3)CC2)c1 ZINC001602537918 1175278864 /nfs/dbraw/zinc/27/88/64/1175278864.db2.gz FCMBIKPJUMOCPA-UHFFFAOYSA-N -1 1 290.363 1.907 20 0 CDADMM O=C([O-])c1coc(C[N@@H+]2CC[C@H](CCCO)C2)c1 ZINC001602551133 1175290495 /nfs/dbraw/zinc/29/04/95/1175290495.db2.gz BVHAJSOHCOVPDB-JTQLQIEISA-N -1 1 253.298 1.572 20 0 CDADMM O=C([O-])C1(OC(=O)c2[nH]nc3c2CCCC3)CC1 ZINC001602603718 1175317949 /nfs/dbraw/zinc/31/79/49/1175317949.db2.gz SFTWZRJSVWGVOG-UHFFFAOYSA-N -1 1 250.254 1.063 20 0 CDADMM O=S(=O)([N-][C@H]1CC[C@H](O)CC1)c1cc(F)ccc1F ZINC000125049112 1175340081 /nfs/dbraw/zinc/34/00/81/1175340081.db2.gz XNYUJDKAXBWYKI-AOOOYVTPSA-N -1 1 291.319 1.547 20 0 CDADMM CC(C)C(=O)Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001603193336 1175512051 /nfs/dbraw/zinc/51/20/51/1175512051.db2.gz TWDSZWKDMDZJGX-UHFFFAOYSA-N -1 1 297.322 1.350 20 0 CDADMM CC(C)/C=C\C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001603251579 1175525819 /nfs/dbraw/zinc/52/58/19/1175525819.db2.gz HZADGLVHNSRANY-ARJAWSKDSA-N -1 1 279.325 1.579 20 0 CDADMM CC(C)/C=C\C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001603251579 1175525823 /nfs/dbraw/zinc/52/58/23/1175525823.db2.gz HZADGLVHNSRANY-ARJAWSKDSA-N -1 1 279.325 1.579 20 0 CDADMM CC(C)C[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001603269929 1175531322 /nfs/dbraw/zinc/53/13/22/1175531322.db2.gz GRQGYMGHLWPXNT-JTQLQIEISA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)C[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001603269929 1175531329 /nfs/dbraw/zinc/53/13/29/1175531329.db2.gz GRQGYMGHLWPXNT-JTQLQIEISA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)(C)N1CC[C@H]1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001603345003 1175544437 /nfs/dbraw/zinc/54/44/37/1175544437.db2.gz YYHQHPJGUDGIFJ-ZDUSSCGKSA-N -1 1 296.411 1.963 20 0 CDADMM C[C@@H](Cn1cc(-c2nn[n-]n2)ccc1=O)C(C)(C)C ZINC001603590449 1175571530 /nfs/dbraw/zinc/57/15/30/1175571530.db2.gz DZBUVWGDTZMNHX-VIFPVBQESA-N -1 1 261.329 1.711 20 0 CDADMM C[C@@H](N(C)C(=O)c1ccnc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001603598257 1175573967 /nfs/dbraw/zinc/57/39/67/1175573967.db2.gz HHUSTAJQXQNZPJ-SECBINFHSA-N -1 1 288.355 1.768 20 0 CDADMM C[C@@H](N(C)C(=O)c1ccnc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001603598257 1175573973 /nfs/dbraw/zinc/57/39/73/1175573973.db2.gz HHUSTAJQXQNZPJ-SECBINFHSA-N -1 1 288.355 1.768 20 0 CDADMM C[C@H](c1ccccc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001603734825 1175611457 /nfs/dbraw/zinc/61/14/57/1175611457.db2.gz NMQINPGWMUBXIZ-SNVBAGLBSA-N -1 1 281.323 1.854 20 0 CDADMM C[C@H](c1ccccc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001603734825 1175611460 /nfs/dbraw/zinc/61/14/60/1175611460.db2.gz NMQINPGWMUBXIZ-SNVBAGLBSA-N -1 1 281.323 1.854 20 0 CDADMM C[C@@H]1C(=O)CCCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001603831525 1175646315 /nfs/dbraw/zinc/64/63/15/1175646315.db2.gz ZSEAODNSQMETAO-RXMQYKEDSA-N -1 1 298.759 1.534 20 0 CDADMM C[C@@H]1C(=O)CCCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001603831525 1175646321 /nfs/dbraw/zinc/64/63/21/1175646321.db2.gz ZSEAODNSQMETAO-RXMQYKEDSA-N -1 1 298.759 1.534 20 0 CDADMM C[C@@H]1C[C@@H]1COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603872482 1175663266 /nfs/dbraw/zinc/66/32/66/1175663266.db2.gz SAOQKXHXXJPIBF-VXNVDRBHSA-N -1 1 259.269 1.075 20 0 CDADMM C[C@@H]1C[C@@H]1COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603872482 1175663269 /nfs/dbraw/zinc/66/32/69/1175663269.db2.gz SAOQKXHXXJPIBF-VXNVDRBHSA-N -1 1 259.269 1.075 20 0 CDADMM C[C@H]1CC[C@H](C)N1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603874904 1175664017 /nfs/dbraw/zinc/66/40/17/1175664017.db2.gz SVXYZVXKCAOTEY-YUMQZZPRSA-N -1 1 277.353 1.941 20 0 CDADMM C[C@@H]1CC[C@@H](C(=O)OCc2ccc(-c3nnn[n-]3)o2)C1 ZINC001603871969 1175665014 /nfs/dbraw/zinc/66/50/14/1175665014.db2.gz DAESNRATJJQHOZ-RKDXNWHRSA-N -1 1 276.296 1.939 20 0 CDADMM C[C@@H]1CC[C@@H](C(=O)OCc2ccc(-c3nn[n-]n3)o2)C1 ZINC001603871969 1175665016 /nfs/dbraw/zinc/66/50/16/1175665016.db2.gz DAESNRATJJQHOZ-RKDXNWHRSA-N -1 1 276.296 1.939 20 0 CDADMM C[C@@H]1CC[C@H](COC(=O)c2ccc(-c3nn[n-]n3)o2)O1 ZINC001603878532 1175666499 /nfs/dbraw/zinc/66/64/99/1175666499.db2.gz TXNFNMSXVHMOLE-HTQZYQBOSA-N -1 1 278.268 1.184 20 0 CDADMM C[C@@H]1CCC[C@@H](CC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC001603884731 1175671218 /nfs/dbraw/zinc/67/12/18/1175671218.db2.gz SZUNPKNUMMFIKR-RKDXNWHRSA-N -1 1 289.343 1.502 20 0 CDADMM C[C@@H]1[C@@H](C)CN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001603931178 1175689235 /nfs/dbraw/zinc/68/92/35/1175689235.db2.gz MCGPTRZUKDSNCR-NKWVEPMBSA-N -1 1 263.326 1.409 20 0 CDADMM C[C@@H]1[C@@H](C)CN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001603931178 1175689237 /nfs/dbraw/zinc/68/92/37/1175689237.db2.gz MCGPTRZUKDSNCR-NKWVEPMBSA-N -1 1 263.326 1.409 20 0 CDADMM CC[C@](C)(CNc1ccc(C)c(-c2nnn[n-]2)n1)OC ZINC001603987383 1175708843 /nfs/dbraw/zinc/70/88/43/1175708843.db2.gz RIUKEDHEYCSHRB-CYBMUJFWSA-N -1 1 276.344 1.797 20 0 CDADMM CC[C@](C)(CNc1ccc(C)c(-c2nn[n-]n2)n1)OC ZINC001603987383 1175708849 /nfs/dbraw/zinc/70/88/49/1175708849.db2.gz RIUKEDHEYCSHRB-CYBMUJFWSA-N -1 1 276.344 1.797 20 0 CDADMM CC[C@H](C)CCC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001604005007 1175715595 /nfs/dbraw/zinc/71/55/95/1175715595.db2.gz LUUAXPCMUIHXJB-ZETCQYMHSA-N -1 1 263.305 1.112 20 0 CDADMM CC[C@H](C[C@H](C)O)Nc1cccnc1-c1nnn[n-]1 ZINC001604016231 1175721676 /nfs/dbraw/zinc/72/16/76/1175721676.db2.gz QVBAZLJWJRLBMR-DTWKUNHWSA-N -1 1 262.317 1.223 20 0 CDADMM CC[C@H](C[C@H](C)O)Nc1cccnc1-c1nn[n-]n1 ZINC001604016231 1175721678 /nfs/dbraw/zinc/72/16/78/1175721678.db2.gz QVBAZLJWJRLBMR-DTWKUNHWSA-N -1 1 262.317 1.223 20 0 CDADMM CC[C@H](CC(C)C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001604015338 1175722392 /nfs/dbraw/zinc/72/23/92/1175722392.db2.gz FBADDWHQUDJWGQ-SECBINFHSA-N -1 1 291.359 1.611 20 0 CDADMM CC[C@H](CC(C)C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001604015338 1175722398 /nfs/dbraw/zinc/72/23/98/1175722398.db2.gz FBADDWHQUDJWGQ-SECBINFHSA-N -1 1 291.359 1.611 20 0 CDADMM CC[C@H](COC(=O)c1cccc(F)c1-c1nnn[n-]1)OC ZINC001604039924 1175729431 /nfs/dbraw/zinc/72/94/31/1175729431.db2.gz SZCOCBQVTCKCKO-MRVPVSSYSA-N -1 1 294.286 1.588 20 0 CDADMM CC[C@H](COC(=O)c1cccc(F)c1-c1nn[n-]n1)OC ZINC001604039924 1175729436 /nfs/dbraw/zinc/72/94/36/1175729436.db2.gz SZCOCBQVTCKCKO-MRVPVSSYSA-N -1 1 294.286 1.588 20 0 CDADMM CC[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1ccncc1 ZINC001604051744 1175734532 /nfs/dbraw/zinc/73/45/32/1175734532.db2.gz UPJXENPCTASQGS-NSHDSACASA-N 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SLAXLMLDHKISKW-JTQLQIEISA-N -1 1 273.344 1.592 20 0 CDADMM O=S(=O)(C[C@@H]1CCCO1)[N-]c1nccnc1Cl ZINC000230687807 1178154964 /nfs/dbraw/zinc/15/49/64/1178154964.db2.gz YUJYJDQWHHYDCY-ZETCQYMHSA-N -1 1 277.733 1.051 20 0 CDADMM CCC[C@H](N[C@H](C)C(=O)NC1CCCCC1)C(=O)[O-] ZINC000185055290 1184084313 /nfs/dbraw/zinc/08/43/13/1184084313.db2.gz VLDBFTGPYPTVAG-PWSUYJOCSA-N -1 1 270.373 1.667 20 0 CDADMM CCn1nnnc1SCCC(=O)c1ccc([O-])cc1O ZINC001771768932 1186865605 /nfs/dbraw/zinc/86/56/05/1186865605.db2.gz XVOKSWBNCODAFJ-UHFFFAOYSA-N -1 1 294.336 1.469 20 0 CDADMM CCC[C@@H]1CCCN1C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001772105026 1187068845 /nfs/dbraw/zinc/06/88/45/1187068845.db2.gz QPVCDBTWABICJO-MRVPVSSYSA-N -1 1 281.312 1.301 20 0 CDADMM CCC[C@@H](NC(=O)[C@H]1CNc2ccccc21)c1nn[n-]n1 ZINC001772216991 1187121699 /nfs/dbraw/zinc/12/16/99/1187121699.db2.gz CVAGVVXRBHUWBC-CMPLNLGQSA-N -1 1 286.339 1.366 20 0 CDADMM C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001772381882 1187205986 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CCN(C(=O)c1cccc2n[nH]cc21)[C@H](C)C(=O)[O-] ZINC000663125199 413969403 /nfs/dbraw/zinc/96/94/03/413969403.db2.gz VRKZEDGWPSOBGB-MRVPVSSYSA-N -1 1 261.281 1.498 20 0 CDADMM Cc1onc(N)c1S(=O)(=O)[N-]CCCC1CCC1 ZINC000657157595 413982806 /nfs/dbraw/zinc/98/28/06/413982806.db2.gz PCCUNUPSHXQVEU-UHFFFAOYSA-N -1 1 273.358 1.424 20 0 CDADMM CCN1CC[C@H](Sc2nc(C)c(C)c(=O)[n-]2)C1=O ZINC000657254482 414081052 /nfs/dbraw/zinc/08/10/52/414081052.db2.gz CGOLOEWAEJWNLQ-VIFPVBQESA-N -1 1 267.354 1.512 20 0 CDADMM CN(Cc1n[nH]c(C(C)(C)C)n1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659802043 414137210 /nfs/dbraw/zinc/13/72/10/414137210.db2.gz NXDLWUAESVCSML-DTORHVGOSA-N -1 1 266.345 1.397 20 0 CDADMM Cc1ccc([C@@H](C)N[C@@H]2CCN(CC(=O)[O-])C2=O)cc1F ZINC000662211806 414565889 /nfs/dbraw/zinc/56/58/89/414565889.db2.gz RYSUPUBYWSJHJT-ZWNOBZJWSA-N -1 1 294.326 1.470 20 0 CDADMM CCN(CC)Cc1ccc(C(=O)N(C)C[C@@H](C)C(=O)[O-])o1 ZINC000042696150 174844077 /nfs/dbraw/zinc/84/40/77/174844077.db2.gz 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CS[C@@H]1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001591689327 1173681313 /nfs/dbraw/zinc/68/13/13/1173681313.db2.gz DEMOEUTXXYBSBU-DTWKUNHWSA-N -1 1 291.384 1.743 20 0 CDADMM CS[C@@H]1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001591689327 1173681315 /nfs/dbraw/zinc/68/13/15/1173681315.db2.gz DEMOEUTXXYBSBU-DTWKUNHWSA-N -1 1 291.384 1.743 20 0 CDADMM CS[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001591693833 1173681385 /nfs/dbraw/zinc/68/13/85/1173681385.db2.gz UGNJXXQJGXITSZ-ZETCQYMHSA-N -1 1 282.398 1.573 20 0 CDADMM CSC[C@@H](C)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001591694702 1173685035 /nfs/dbraw/zinc/68/50/35/1173685035.db2.gz RARXKBRHTDWMSO-ZCFIWIBFSA-N -1 1 299.381 1.366 20 0 CDADMM CSC[C@@H](C)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001591694702 1173685039 /nfs/dbraw/zinc/68/50/39/1173685039.db2.gz RARXKBRHTDWMSO-ZCFIWIBFSA-N -1 1 299.381 1.366 20 0 CDADMM C[C@H](O)CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001591770810 1173699508 /nfs/dbraw/zinc/69/95/08/1173699508.db2.gz YVESSYVVFHVQIJ-YFKPBYRVSA-N -1 1 288.233 1.073 20 0 CDADMM C[C@H](O)CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001591770810 1173699510 /nfs/dbraw/zinc/69/95/10/1173699510.db2.gz YVESSYVVFHVQIJ-YFKPBYRVSA-N -1 1 288.233 1.073 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC23CCC(CC2)C3)n1 ZINC001591892614 1173740651 /nfs/dbraw/zinc/74/06/51/1173740651.db2.gz WVSRHHYTCXTZIF-UHFFFAOYSA-N -1 1 271.328 1.710 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC23CCC(CC2)C3)n1 ZINC001591892614 1173740655 /nfs/dbraw/zinc/74/06/55/1173740655.db2.gz WVSRHHYTCXTZIF-UHFFFAOYSA-N -1 1 271.328 1.710 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CSC2(C)C)n1 ZINC001591893632 1173740819 /nfs/dbraw/zinc/74/08/19/1173740819.db2.gz MCMWNHPHXWAQGT-MRVPVSSYSA-N -1 1 277.357 1.271 20 0 CDADMM CN1CCOC[C@@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000350614444 316188097 /nfs/dbraw/zinc/18/80/97/316188097.db2.gz UFYOEYSYMUANMG-LLVKDONJSA-N -1 1 279.271 1.584 20 0 CDADMM Cc1coc(C(=O)Nc2snc(C)c2-c2nnn[n-]2)c1 ZINC001592306124 1173851186 /nfs/dbraw/zinc/85/11/86/1173851186.db2.gz NEGXPQSLBFFUPU-UHFFFAOYSA-N -1 1 290.308 1.785 20 0 CDADMM Cc1coc(C(=O)Nc2snc(C)c2-c2nn[n-]n2)c1 ZINC001592306124 1173851191 /nfs/dbraw/zinc/85/11/91/1173851191.db2.gz NEGXPQSLBFFUPU-UHFFFAOYSA-N -1 1 290.308 1.785 20 0 CDADMM Cc1[nH]nc(NC[C@H]2CC=CCC2)c1-c1nnn[n-]1 ZINC001592330171 1173857905 /nfs/dbraw/zinc/85/79/05/1173857905.db2.gz DCCXNJALWGTPIE-VIFPVBQESA-N -1 1 259.317 1.666 20 0 CDADMM Cc1[nH]nc(NC[C@H]2CC=CCC2)c1-c1nn[n-]n1 ZINC001592330171 1173857907 /nfs/dbraw/zinc/85/79/07/1173857907.db2.gz DCCXNJALWGTPIE-VIFPVBQESA-N -1 1 259.317 1.666 20 0 CDADMM Cc1nc(N[C@@H]2CCCC[C@@H]2F)cc(-c2nnn[n-]2)n1 ZINC001592393834 1173878423 /nfs/dbraw/zinc/87/84/23/1173878423.db2.gz MGDFHCORZZJTMC-DTWKUNHWSA-N -1 1 277.307 1.658 20 0 CDADMM Cc1nc(N[C@@H]2CCCC[C@@H]2F)cc(-c2nn[n-]n2)n1 ZINC001592393834 1173878429 /nfs/dbraw/zinc/87/84/29/1173878429.db2.gz MGDFHCORZZJTMC-DTWKUNHWSA-N -1 1 277.307 1.658 20 0 CDADMM Cc1nc([C@](C)(NCc2ncccc2[O-])C2CC2)no1 ZINC000579370086 324171262 /nfs/dbraw/zinc/17/12/62/324171262.db2.gz XPLAKHOGTUGMFE-CQSZACIVSA-N -1 1 274.324 1.894 20 0 CDADMM O=C([O-])C[C@@H]1CCCN1C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000579560328 324215303 /nfs/dbraw/zinc/21/53/03/324215303.db2.gz UOZODCHEHNDFOG-JTQLQIEISA-N -1 1 289.291 1.749 20 0 CDADMM CCC(=O)c1ccc(O)c(NC(=O)c2n[nH]c(=O)[n-]2)c1 ZINC000583968581 325275924 /nfs/dbraw/zinc/27/59/24/325275924.db2.gz TUZKSJQVPFUPTC-UHFFFAOYSA-N -1 1 276.252 1.061 20 0 CDADMM Cc1nsc(N2CC[C@H](C)[C@H](CO)C2)c1-c1nn[n-]n1 ZINC001592472449 1173899817 /nfs/dbraw/zinc/89/98/17/1173899817.db2.gz JWUZHUFGSIOJBG-CBAPKCEASA-N -1 1 294.384 1.086 20 0 CDADMM CC(C)c1noc([C@@H](C)N2C[C@@H](C)[C@H](C(=O)[O-])C2)n1 ZINC001604027409 1175725864 /nfs/dbraw/zinc/72/58/64/1175725864.db2.gz FQZACUNOQHNECC-OPRDCNLKSA-N -1 1 267.329 1.907 20 0 CDADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCC1(O)CCC1 ZINC000398248093 1160098184 /nfs/dbraw/zinc/09/81/84/1160098184.db2.gz JJMHHLNVTAMCTM-UHFFFAOYSA-N -1 1 297.380 1.247 20 0 CDADMM O=C(NCc1cc(=O)cc[nH]1)c1ccc(F)c([O-])c1 ZINC001625976615 1160547368 /nfs/dbraw/zinc/54/73/68/1160547368.db2.gz RNPMQGIKGCZGAQ-UHFFFAOYSA-N -1 1 262.240 1.150 20 0 CDADMM CCOc1ccc(C[C@H](C)C(=O)NCc2nn[n-]n2)cc1 ZINC000665736715 482297640 /nfs/dbraw/zinc/29/76/40/482297640.db2.gz HGXLJKHJPFUCMK-JTQLQIEISA-N -1 1 289.339 1.093 20 0 CDADMM CC(C)CN1CCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)CC1 ZINC000653293852 482401548 /nfs/dbraw/zinc/40/15/48/482401548.db2.gz PQDIAYRBRDPNLG-INIZCTEOSA-N -1 1 294.395 1.598 20 0 CDADMM CO[N-]C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000025822385 482458967 /nfs/dbraw/zinc/45/89/67/482458967.db2.gz UKPGAEMGZMULEY-GFCCVEGCSA-N -1 1 284.315 1.870 20 0 CDADMM Cc1oc(C)c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1C ZINC000677047531 482519179 /nfs/dbraw/zinc/51/91/79/482519179.db2.gz AEQPFMXMARFBPX-LLVKDONJSA-N -1 1 289.339 1.738 20 0 CDADMM Cc1[nH]nc(C(=O)N2CCc3cc(F)ccc32)c1[O-] ZINC000669934890 482520894 /nfs/dbraw/zinc/52/08/94/482520894.db2.gz ZIKFCJCTPZYPLA-UHFFFAOYSA-N -1 1 261.256 1.766 20 0 CDADMM O=S(=O)([N-][C@@H](CO)CC1CC1)c1cc(F)ccc1F ZINC000677242761 482593931 /nfs/dbraw/zinc/59/39/31/482593931.db2.gz HHTNPDDTAKBGGI-SNVBAGLBSA-N -1 1 291.319 1.404 20 0 CDADMM Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)NCc1nn[n-]n1 ZINC000677424398 482656893 /nfs/dbraw/zinc/65/68/93/482656893.db2.gz AODYSICCOUKKQO-UHFFFAOYSA-N -1 1 297.322 1.137 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CCc2n[nH]cc2C1 ZINC000681017158 482658346 /nfs/dbraw/zinc/65/83/46/482658346.db2.gz WIQXYESGRJBWHX-UHFFFAOYSA-N -1 1 261.256 1.453 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc([O-])c(F)c2)[C@@H](C)CO1 ZINC000681017005 482658789 /nfs/dbraw/zinc/65/87/89/482658789.db2.gz AKEQFEKCEXEEDK-IUCAKERBSA-N -1 1 253.273 1.781 20 0 CDADMM O=C(NCCCOC[C@@H]1CCCO1)c1ccc([O-])c(F)c1 ZINC000681046404 482669445 /nfs/dbraw/zinc/66/94/45/482669445.db2.gz KJSATNPXCKTVMF-LBPRGKRZSA-N -1 1 297.326 1.847 20 0 CDADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H]1Cc2ccccc21 ZINC000685492352 483148768 /nfs/dbraw/zinc/14/87/68/483148768.db2.gz OLCYFVPSFQMJMY-JTQLQIEISA-N -1 1 293.348 1.183 20 0 CDADMM C[C@H](C(=O)[O-])N(C)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000675988723 483391037 /nfs/dbraw/zinc/39/10/37/483391037.db2.gz CECZWPMXMNRQTB-SSDOTTSWSA-N -1 1 263.253 1.215 20 0 CDADMM c1ccc(-c2noc([N-]Cc3nnc4n3CCC4)n2)cc1 ZINC000676304529 483464192 /nfs/dbraw/zinc/46/41/92/483464192.db2.gz AVSLCGNDQCAFEM-UHFFFAOYSA-N -1 1 282.307 1.886 20 0 CDADMM Cc1n[nH]c(C(=O)NC[C@@H](c2cccs2)N(C)C)c1[O-] ZINC000676630270 483543087 /nfs/dbraw/zinc/54/30/87/483543087.db2.gz HDUZOHJGFOEPMA-VIFPVBQESA-N -1 1 294.380 1.518 20 0 CDADMM Cc1cc(N2CCO[C@H](C(=O)[O-])C2)c2cc(F)ccc2n1 ZINC000668131235 483578818 /nfs/dbraw/zinc/57/88/18/483578818.db2.gz AQVRYQAJTGIHHQ-AWEZNQCLSA-N -1 1 290.294 1.972 20 0 CDADMM O=C(N[C@@H]1COc2cc(F)cc(F)c21)c1ncccc1[O-] ZINC000680327493 483583133 /nfs/dbraw/zinc/58/31/33/483583133.db2.gz MNZJEBMRXADMSF-SECBINFHSA-N -1 1 292.241 1.929 20 0 CDADMM C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1nc(=O)n(C)[n-]1 ZINC000680391931 483606282 /nfs/dbraw/zinc/60/62/82/483606282.db2.gz YUCQCZLAFFMYDZ-YUMQZZPRSA-N -1 1 278.278 1.271 20 0 CDADMM Cc1noc(C(C)(C)NC(=O)c2ccc([O-])c(F)c2)n1 ZINC000671908641 483635432 /nfs/dbraw/zinc/63/54/32/483635432.db2.gz SDVLZJITMXZFER-UHFFFAOYSA-N -1 1 279.271 1.888 20 0 CDADMM O=S(=O)([N-]C[C@H](O)C1CC1)c1cc2ccccc2o1 ZINC000676887841 483637594 /nfs/dbraw/zinc/63/75/94/483637594.db2.gz CKIFHBTVICXWPS-NSHDSACASA-N -1 1 281.333 1.482 20 0 CDADMM CC1(C)C[C@@H](NC(=O)c2cncc([O-])c2)C(C)(C)O1 ZINC000183605103 520521445 /nfs/dbraw/zinc/52/14/45/520521445.db2.gz PWPYDDPCYOHMII-LLVKDONJSA-N -1 1 264.325 1.863 20 0 CDADMM CCC[C@@H](N[C@@H](C)C(=O)Nc1nccs1)C(=O)[O-] ZINC000185029897 520786272 /nfs/dbraw/zinc/78/62/72/520786272.db2.gz ZGWUDEOKNBLOEQ-JGVFFNPUSA-N -1 1 271.342 1.313 20 0 CDADMM Cn1[n-]cc2c(=NC(=O)[C@H]3C[C@@H]3C3CC3)ccnc1-2 ZINC000791165187 1162198902 /nfs/dbraw/zinc/19/89/02/1162198902.db2.gz CPDPMKBWKMFXBV-ZJUUUORDSA-N -1 1 256.309 1.326 20 0 CDADMM CCC[C@H](N[C@@H]1CCN(c2ccccc2)C1=O)C(=O)[O-] ZINC000185037310 521173929 /nfs/dbraw/zinc/17/39/29/521173929.db2.gz NTLPZGJHUZPAKA-OLZOCXBDSA-N -1 1 276.336 1.635 20 0 CDADMM CCc1[nH][nH]c(=NC(=O)c2cnc3ccccc3c2[O-])c1C ZINC000336894567 523657106 /nfs/dbraw/zinc/65/71/06/523657106.db2.gz QIOHZIVJQGVTNC-UHFFFAOYSA-N -1 1 296.330 1.796 20 0 CDADMM COC(=O)[C@@H]1CN(Cc2cccc([O-])c2Cl)C[C@H](C)O1 ZINC000353359435 523750589 /nfs/dbraw/zinc/75/05/89/523750589.db2.gz APIMQSUYRKSGPJ-CABZTGNLSA-N -1 1 299.754 1.808 20 0 CDADMM C[C@H](CCCc1ccccc1)C(=O)NN1CC(=O)[N-]C1=O ZINC000182498847 524153369 /nfs/dbraw/zinc/15/33/69/524153369.db2.gz BGUOQMMNECECSD-LLVKDONJSA-N -1 1 289.335 1.228 20 0 CDADMM C[C@@H](CC(=O)Nc1nnn[n-]1)C(=O)c1cccc(F)c1 ZINC000073794794 524389891 /nfs/dbraw/zinc/38/98/91/524389891.db2.gz UZRRFLCWEDJMLE-ZETCQYMHSA-N -1 1 277.259 1.186 20 0 CDADMM C[C@@H](CC(=O)Nc1nn[n-]n1)C(=O)c1cccc(F)c1 ZINC000073794794 524389896 /nfs/dbraw/zinc/38/98/96/524389896.db2.gz UZRRFLCWEDJMLE-ZETCQYMHSA-N 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265.342 1.841 20 0 CDADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+](C)CCC(=O)[O-] ZINC001600355592 1174451256 /nfs/dbraw/zinc/45/12/56/1174451256.db2.gz ZFJFSCLMZIZTCO-UHFFFAOYSA-N -1 1 294.307 1.038 20 0 CDADMM Cc1ccc(C)c(OCCN2CCC[C@H](O)[C@H]2C(=O)[O-])c1 ZINC001600390280 1174460555 /nfs/dbraw/zinc/46/05/55/1174460555.db2.gz ZHFBOZICPPVIBY-ZFWWWQNUSA-N -1 1 293.363 1.592 20 0 CDADMM CC[C@](C)(CO)NC(=O)c1cc(Cl)ccc1[O-] ZINC000083875944 545523952 /nfs/dbraw/zinc/52/39/52/545523952.db2.gz IZSCUGUAHWYPPA-GFCCVEGCSA-N -1 1 257.717 1.936 20 0 CDADMM Cc1nnc(SCC(=O)NC2(CC(=O)[O-])CCCC2)[nH]1 ZINC001600674272 1174558629 /nfs/dbraw/zinc/55/86/29/1174558629.db2.gz GBRFIRBHZWINKW-UHFFFAOYSA-N -1 1 298.368 1.109 20 0 CDADMM Cc1n[nH]c(SCC(=O)NC2(CC(=O)[O-])CCCC2)n1 ZINC001600674272 1174558633 /nfs/dbraw/zinc/55/86/33/1174558633.db2.gz GBRFIRBHZWINKW-UHFFFAOYSA-N -1 1 298.368 1.109 20 0 CDADMM O=C(CCn1cc[n-]c(=O)c1=O)NC1CCCCCCC1 ZINC000726864874 574507997 /nfs/dbraw/zinc/50/79/97/574507997.db2.gz JZZYAIMAVXYUBU-UHFFFAOYSA-N -1 1 293.367 1.156 20 0 CDADMM O=S(=O)([N-]c1ccn(Cc2ccccn2)n1)C1CC1 ZINC000727358970 574580274 /nfs/dbraw/zinc/58/02/74/574580274.db2.gz HFMVFSABJAEXBV-UHFFFAOYSA-N -1 1 278.337 1.231 20 0 CDADMM COC(=O)c1ccoc1CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000737711553 574679148 /nfs/dbraw/zinc/67/91/48/574679148.db2.gz HRIVMGBGRYUNAH-VIFPVBQESA-N -1 1 281.308 1.751 20 0 CDADMM CC[C@@H](C)CCCCC(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000752101322 574700081 /nfs/dbraw/zinc/70/00/81/574700081.db2.gz GDBHOONBDWIZGT-VXGBXAGGSA-N -1 1 295.387 1.706 20 0 CDADMM O=C([O-])[C@@H](CCF)NC(=O)c1n[nH]c2ccc(Cl)cc21 ZINC001601416795 1174862732 /nfs/dbraw/zinc/86/27/32/1174862732.db2.gz FMTYCUIHUQELSM-SECBINFHSA-N -1 1 299.689 1.759 20 0 CDADMM O=C([O-])[C@@H](c1cccnc1)N1CCC(F)(F)[C@@H](CO)C1 ZINC001601698057 1174952060 /nfs/dbraw/zinc/95/20/60/1174952060.db2.gz HPXVBXDFCKEHIL-GHMZBOCLSA-N -1 1 286.278 1.157 20 0 CDADMM COCCOC1CCN(Cc2cc(C)c(C(=O)[O-])o2)CC1 ZINC000737810944 575013941 /nfs/dbraw/zinc/01/39/41/575013941.db2.gz ATGLXEZATQKHIG-UHFFFAOYSA-N -1 1 297.351 1.914 20 0 CDADMM O=C(NC[C@H]1CC1(Cl)Cl)c1cncc([O-])c1 ZINC000732267112 575084896 /nfs/dbraw/zinc/08/48/96/575084896.db2.gz CBYGJNXNRQEHAK-SSDOTTSWSA-N -1 1 261.108 1.711 20 0 CDADMM O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1cc(=O)[nH][n-]1 ZINC000732281453 575086500 /nfs/dbraw/zinc/08/65/00/575086500.db2.gz JEIWHCGKYLSPGF-UHFFFAOYSA-N -1 1 297.318 1.645 20 0 CDADMM CC(C)CN(CC(C)C)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000733155314 575102226 /nfs/dbraw/zinc/10/22/26/575102226.db2.gz AYQAESXPAFOPTJ-UHFFFAOYSA-N -1 1 295.383 1.067 20 0 CDADMM CS/C=C/C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000767659156 576216839 /nfs/dbraw/zinc/21/68/39/576216839.db2.gz DUMFDUNTYAKHPP-BQYQJAHWSA-N -1 1 279.317 1.363 20 0 CDADMM CC[C@H]1COCCN1C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000774432747 575204544 /nfs/dbraw/zinc/20/45/44/575204544.db2.gz QGWXSTNDJUQTIN-JTQLQIEISA-N -1 1 292.364 1.269 20 0 CDADMM CCOCCOC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000744796626 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C[C@H](CN1CCNC(=O)[C@@H]1CC(=O)[O-])c1ccccc1 ZINC000086815682 600260814 /nfs/dbraw/zinc/26/08/14/600260814.db2.gz QGHAUSZQMXOTJH-YPMHNXCESA-N -1 1 276.336 1.065 20 0 CDADMM c1cnn(C2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)c1 ZINC000823815769 607443687 /nfs/dbraw/zinc/44/36/87/607443687.db2.gz IYSBLWHRSZMXRW-UHFFFAOYSA-N -1 1 287.352 1.182 20 0 CDADMM C[C@](O)(CN1CCN(c2ccccc2Cl)CC1)C(=O)[O-] ZINC000080209846 600760915 /nfs/dbraw/zinc/76/09/15/600760915.db2.gz NNHKJMARJHBDQV-AWEZNQCLSA-N -1 1 298.770 1.298 20 0 CDADMM CC(C)c1nnc(CN(CCC(=O)[O-])C2CCOCC2)o1 ZINC000827168383 600858964 /nfs/dbraw/zinc/85/89/64/600858964.db2.gz CXIAFKLEMBLYFA-UHFFFAOYSA-N -1 1 297.355 1.649 20 0 CDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H](C)c2ccco2)CC1 ZINC000825990832 601093230 /nfs/dbraw/zinc/09/32/30/601093230.db2.gz QBXPELLKNWPFCZ-NEPJUHHUSA-N -1 1 294.351 1.391 20 0 CDADMM C[C@@H](C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1)N(C)C ZINC000832803109 601137369 /nfs/dbraw/zinc/13/73/69/601137369.db2.gz GNCKVDLQIKKUPT-AAEUAGOBSA-N -1 1 278.352 1.659 20 0 CDADMM C[C@@H](C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)N(C)C ZINC000832803088 601137889 /nfs/dbraw/zinc/13/78/89/601137889.db2.gz DSKBJLSXZVAKGX-JTQLQIEISA-N -1 1 278.352 1.937 20 0 CDADMM C/C(=C/CN1CCN(c2nc(C)cs2)[C@@H](C)C1)C(=O)[O-] ZINC000825746219 601164852 /nfs/dbraw/zinc/16/48/52/601164852.db2.gz GVBOITPROXMWGY-JOTVYFQTSA-N -1 1 295.408 1.993 20 0 CDADMM COc1ccc(COCCN2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000832362704 601435612 /nfs/dbraw/zinc/43/56/12/601435612.db2.gz PIBNTKWYEIOSAG-HNNXBMFYSA-N -1 1 297.326 1.710 20 0 CDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)/C=C2\CC[C@@H](C)C2)CC1 ZINC000828200261 601503819 /nfs/dbraw/zinc/50/38/19/601503819.db2.gz DNRZDFTUBLRWSC-PDRVLSSUSA-N -1 1 294.395 1.740 20 0 CDADMM COC(=O)c1sccc1CN1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000831479859 601527359 /nfs/dbraw/zinc/52/73/59/601527359.db2.gz WGHOWRQUGBZJQR-SCZZXKLOSA-N -1 1 283.349 1.687 20 0 CDADMM CN(C)c1ccccc1CN1CC[C@](F)(C(=O)[O-])C1 ZINC000830643894 601556993 /nfs/dbraw/zinc/55/69/93/601556993.db2.gz QAAQHBDIXQFOHM-CQSZACIVSA-N -1 1 266.316 1.751 20 0 CDADMM C[C@H]1C[C@H](CCN2CCNC(=O)[C@@H]2CC(=O)[O-])C[C@@H](C)C1 ZINC000828162764 601614861 /nfs/dbraw/zinc/61/48/61/601614861.db2.gz ZXCMSHPOLXMYMZ-DGAVXFQQSA-N -1 1 296.411 1.724 20 0 CDADMM O=C([O-])c1ccc(CN2CCC3(CC2)OCCO3)cc1F ZINC000236474920 601617292 /nfs/dbraw/zinc/61/72/92/601617292.db2.gz WXHQJLBFBXQBPV-UHFFFAOYSA-N -1 1 295.310 1.863 20 0 CDADMM CCCCC[C@@H](NC(=O)c1ccc2[nH]nnc2c1)C(=O)[O-] ZINC000181876952 601747391 /nfs/dbraw/zinc/74/73/91/601747391.db2.gz NVTWNQMUYSIECJ-LLVKDONJSA-N -1 1 290.323 1.721 20 0 CDADMM Cn1cc(NS(=O)(=O)c2cccc(F)c2)cc1C(=O)[O-] ZINC000833053082 601783766 /nfs/dbraw/zinc/78/37/66/601783766.db2.gz PBFWLMHWHHVTBB-UHFFFAOYSA-N -1 1 298.295 1.663 20 0 CDADMM Cc1ccc2oc(=O)n(CN3C[C@H](C(=O)[O-])[C@H](C)C3)c2c1 ZINC000832960124 601819745 /nfs/dbraw/zinc/81/97/45/601819745.db2.gz MIDYALRQULRNCL-MNOVXSKESA-N -1 1 290.319 1.513 20 0 CDADMM Cc1n[nH]c(C)c1NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C ZINC000832990301 601874472 /nfs/dbraw/zinc/87/44/72/601874472.db2.gz UGDMASPUXRYAHK-NSHDSACASA-N -1 1 282.344 1.054 20 0 CDADMM C[C@]1(C(=O)[O-])CCN(CN2C(=O)C[C@H]2c2ccccc2)C1 ZINC000828029229 601886544 /nfs/dbraw/zinc/88/65/44/601886544.db2.gz WTABZZNRIVQQGU-BBRMVZONSA-N -1 1 288.347 1.714 20 0 CDADMM CN(C)C1(C(=O)Nc2cc(C(=O)[O-])n(C)c2)CCC1 ZINC000830584948 601944130 /nfs/dbraw/zinc/94/41/30/601944130.db2.gz ICZDOVYAQGDSOS-UHFFFAOYSA-N -1 1 265.313 1.146 20 0 CDADMM CC(C)(CO)N1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000826616656 601957731 /nfs/dbraw/zinc/95/77/31/601957731.db2.gz SLYGNTHIRUSZDZ-UHFFFAOYSA-N -1 1 298.408 1.335 20 0 CDADMM c1nnc(SCc2ccnc(-c3nnn[n-]3)c2)s1 ZINC000095184253 607537075 /nfs/dbraw/zinc/53/70/75/607537075.db2.gz LHKMZEBZVGILGO-UHFFFAOYSA-N -1 1 277.338 1.406 20 0 CDADMM c1nnc(SCc2ccnc(-c3nn[n-]n3)c2)s1 ZINC000095184253 607537076 /nfs/dbraw/zinc/53/70/76/607537076.db2.gz LHKMZEBZVGILGO-UHFFFAOYSA-N -1 1 277.338 1.406 20 0 CDADMM C[C@@H](CN(C(=O)[C@@H]1CCCc2[nH]ncc21)C1CC1)C(=O)[O-] ZINC000827433297 602017791 /nfs/dbraw/zinc/01/77/91/602017791.db2.gz XFWGSQLIJHXDTC-GXSJLCMTSA-N -1 1 291.351 1.541 20 0 CDADMM C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH]ncc32)C[C@H]1C(=O)[O-] ZINC000828326320 602020508 /nfs/dbraw/zinc/02/05/08/602020508.db2.gz PTKYUSIPQQOIMB-WCABBAIRSA-N -1 1 277.324 1.009 20 0 CDADMM O=C([O-])C1(CNC(=O)[C@H]2CCCc3[nH]ncc32)CCCC1 ZINC000833133276 602021037 /nfs/dbraw/zinc/02/10/37/602021037.db2.gz KSCNQXQRBGFBHH-JTQLQIEISA-N -1 1 291.351 1.591 20 0 CDADMM COC[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C1CC1 ZINC000826151546 607543021 /nfs/dbraw/zinc/54/30/21/607543021.db2.gz DFZDMRQMVGMCCF-SECBINFHSA-N -1 1 294.746 1.752 20 0 CDADMM COC[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C1CC1 ZINC000826151546 607543023 /nfs/dbraw/zinc/54/30/23/607543023.db2.gz DFZDMRQMVGMCCF-SECBINFHSA-N -1 1 294.746 1.752 20 0 CDADMM C[C@@H](CC(=O)[O-])C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000827304078 602158456 /nfs/dbraw/zinc/15/84/56/602158456.db2.gz OOWZJVYKKJTQHC-ZETCQYMHSA-N -1 1 295.726 1.943 20 0 CDADMM CC(=O)Nc1nc(CN[C@H](C(=O)[O-])C(C)(C)C)cs1 ZINC000825923366 602226220 /nfs/dbraw/zinc/22/62/20/602226220.db2.gz XDKSJZQYXGGLTJ-SECBINFHSA-N -1 1 285.369 1.690 20 0 CDADMM CC1(C)CN(C(=O)c2ccc(NC(=O)[O-])cc2)CCN1 ZINC000825735051 603684157 /nfs/dbraw/zinc/68/41/57/603684157.db2.gz UKZLYUKJTKUZEU-UHFFFAOYSA-N -1 1 277.324 1.601 20 0 CDADMM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1ccccc1 ZINC000827021931 604399181 /nfs/dbraw/zinc/39/91/81/604399181.db2.gz NGCQKAQXOZJRCV-ZDUSSCGKSA-N -1 1 251.326 1.997 20 0 CDADMM CC(C)N(CCC(=O)[O-])CN1CC(C)(C)OC1=O ZINC000833497203 604546464 /nfs/dbraw/zinc/54/64/64/604546464.db2.gz VISWZEHFKISVEG-UHFFFAOYSA-N -1 1 258.318 1.360 20 0 CDADMM CCN(C)C(=O)CN(CCCC(=O)[O-])Cc1ccccc1 ZINC000829608585 604785732 /nfs/dbraw/zinc/78/57/32/604785732.db2.gz MFPHOEAPFXOQBW-UHFFFAOYSA-N -1 1 292.379 1.832 20 0 CDADMM C[C@H]1[C@H](C)N(C(=O)c2ccc(NC(=O)[O-])cc2)CCN1C ZINC000833588874 604839075 /nfs/dbraw/zinc/83/90/75/604839075.db2.gz SLKNXAUPKBXJPO-QWRGUYRKSA-N -1 1 291.351 1.941 20 0 CDADMM C[C@@]1(C(=O)[O-])CCN(Cc2ncc(C3CC3)o2)C1 ZINC000833555487 604920742 /nfs/dbraw/zinc/92/07/42/604920742.db2.gz XATFDSWVWTWEHF-CYBMUJFWSA-N -1 1 250.298 1.849 20 0 CDADMM CCC[C@H](C(=O)Nc1cccc(OCC(=O)[O-])c1)N(C)C ZINC000833647545 605039708 /nfs/dbraw/zinc/03/97/08/605039708.db2.gz GSQGNBPUVFPAND-CYBMUJFWSA-N -1 1 294.351 1.819 20 0 CDADMM C[C@H](C[N@H+](CCC[N-]C(=O)C(F)(F)F)C1CC1)C(=O)[O-] ZINC000833516129 605041194 /nfs/dbraw/zinc/04/11/94/605041194.db2.gz FFXYSYJMGKKQOT-MRVPVSSYSA-N -1 1 296.289 1.240 20 0 CDADMM C[C@H](C[N@@H+](CCC[N-]C(=O)C(F)(F)F)C1CC1)C(=O)[O-] ZINC000833516129 605041197 /nfs/dbraw/zinc/04/11/97/605041197.db2.gz FFXYSYJMGKKQOT-MRVPVSSYSA-N -1 1 296.289 1.240 20 0 CDADMM C[C@H]1CCCC[C@@H]1CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833611002 605081871 /nfs/dbraw/zinc/08/18/71/605081871.db2.gz ZZAIHNLFNHYMBL-LOWVWBTDSA-N -1 1 293.367 1.738 20 0 CDADMM CCc1oc(C(=O)[O-])cc1CN[C@H](C(=O)NC)C(C)C ZINC000833678126 605140264 /nfs/dbraw/zinc/14/02/64/605140264.db2.gz IZTREVOHMJYZGW-LBPRGKRZSA-N -1 1 282.340 1.400 20 0 CDADMM C[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)c1nnc[nH]1 ZINC000833521543 605168260 /nfs/dbraw/zinc/16/82/60/605168260.db2.gz PADNFLUFRUUQSJ-YFKPBYRVSA-N -1 1 281.297 1.447 20 0 CDADMM C[C@H](CCO)[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866851142 617189855 /nfs/dbraw/zinc/18/98/55/617189855.db2.gz IKAZLBUTKGONDV-ZCFIWIBFSA-N -1 1 299.179 1.438 20 0 CDADMM CC[C@H](C)[C@H](NC(=O)CN1CC[C@@H](C)[C@H](C)C1)C(=O)[O-] ZINC000833639968 605213437 /nfs/dbraw/zinc/21/34/37/605213437.db2.gz SCNCWTYZIBPQFS-SFTQSGBHSA-N -1 1 284.400 1.580 20 0 CDADMM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)CCNC(=O)N(C)C ZINC000833546466 605245411 /nfs/dbraw/zinc/24/54/11/605245411.db2.gz GIXWXJYJFXBQQI-VIFPVBQESA-N -1 1 283.328 1.242 20 0 CDADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCOC(C)(C)[C@H]2C)O1 ZINC000833577644 605354491 /nfs/dbraw/zinc/35/44/91/605354491.db2.gz FABGXIGNLZEFTP-MNOVXSKESA-N -1 1 269.341 1.633 20 0 CDADMM O=C(OC/C=C\Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000823401012 606134805 /nfs/dbraw/zinc/13/48/05/606134805.db2.gz OBSHEJCGRQLURZ-RJRFIUFISA-N -1 1 270.701 1.838 20 0 CDADMM O=C(OC/C=C\Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000823401012 606134807 /nfs/dbraw/zinc/13/48/07/606134807.db2.gz OBSHEJCGRQLURZ-RJRFIUFISA-N -1 1 270.701 1.838 20 0 CDADMM CCC[C@H](CC)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821015599 606171297 /nfs/dbraw/zinc/17/12/97/606171297.db2.gz QZFZMVQHFUGRNC-QMMMGPOBSA-N -1 1 292.347 1.300 20 0 CDADMM CCC[C@H](CC)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821015599 606171298 /nfs/dbraw/zinc/17/12/98/606171298.db2.gz QZFZMVQHFUGRNC-QMMMGPOBSA-N -1 1 292.347 1.300 20 0 CDADMM Cc1cccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1 ZINC000822284583 606530958 /nfs/dbraw/zinc/53/09/58/606530958.db2.gz VZQVGBCGVGFTND-UHFFFAOYSA-N -1 1 269.268 1.151 20 0 CDADMM CC(C)c1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000820187478 606530370 /nfs/dbraw/zinc/53/03/70/606530370.db2.gz CPEXCXCLGXVBTB-UHFFFAOYSA-N -1 1 297.322 1.966 20 0 CDADMM CC(C)c1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC000820187478 606530371 /nfs/dbraw/zinc/53/03/71/606530371.db2.gz CPEXCXCLGXVBTB-UHFFFAOYSA-N -1 1 297.322 1.966 20 0 CDADMM Cc1cccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1 ZINC000822284583 606530957 /nfs/dbraw/zinc/53/09/57/606530957.db2.gz VZQVGBCGVGFTND-UHFFFAOYSA-N -1 1 269.268 1.151 20 0 CDADMM COC(C)(C)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821674284 606576202 /nfs/dbraw/zinc/57/62/02/606576202.db2.gz ZXPXKCIACSJLKC-UHFFFAOYSA-N -1 1 281.341 1.083 20 0 CDADMM COC(C)(C)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821674284 606576203 /nfs/dbraw/zinc/57/62/03/606576203.db2.gz ZXPXKCIACSJLKC-UHFFFAOYSA-N -1 1 281.341 1.083 20 0 CDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)C1CCC1 ZINC000823397242 606635496 /nfs/dbraw/zinc/63/54/96/606635496.db2.gz UDBQAAANFXVLFG-UHFFFAOYSA-N -1 1 292.320 1.454 20 0 CDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)C1CCC1 ZINC000823397242 606635497 /nfs/dbraw/zinc/63/54/97/606635497.db2.gz UDBQAAANFXVLFG-UHFFFAOYSA-N -1 1 292.320 1.454 20 0 CDADMM C[C@H]1CCC(=CC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000820678657 606828347 /nfs/dbraw/zinc/82/83/47/606828347.db2.gz WWHSAARMOGUWMC-BJMRUTCWSA-N -1 1 273.300 1.032 20 0 CDADMM Cc1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)s1 ZINC000822227566 607023426 /nfs/dbraw/zinc/02/34/26/607023426.db2.gz NFEUQUJRJARBTI-UHFFFAOYSA-N -1 1 292.349 1.945 20 0 CDADMM Cc1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)s1 ZINC000822227566 607023427 /nfs/dbraw/zinc/02/34/27/607023427.db2.gz NFEUQUJRJARBTI-UHFFFAOYSA-N -1 1 292.349 1.945 20 0 CDADMM CC(C)(C)NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824094288 607866012 /nfs/dbraw/zinc/86/60/12/607866012.db2.gz QSIWJAUDLRBWOY-UHFFFAOYSA-N -1 1 293.302 1.299 20 0 CDADMM CC(C)(C)NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824094288 607866013 /nfs/dbraw/zinc/86/60/13/607866013.db2.gz QSIWJAUDLRBWOY-UHFFFAOYSA-N -1 1 293.302 1.299 20 0 CDADMM c1csc(Sc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826527111 607989275 /nfs/dbraw/zinc/98/92/75/607989275.db2.gz ZGHTVPDQKKNTCR-UHFFFAOYSA-N -1 1 262.323 1.869 20 0 CDADMM c1csc(Sc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826527111 607989276 /nfs/dbraw/zinc/98/92/76/607989276.db2.gz ZGHTVPDQKKNTCR-UHFFFAOYSA-N -1 1 262.323 1.869 20 0 CDADMM C[C@@H]1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824927839 608403341 /nfs/dbraw/zinc/40/33/41/608403341.db2.gz QREBBPJUCWPRDO-NXEZZACHSA-N -1 1 273.344 1.895 20 0 CDADMM C[C@@H]1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824927839 608403342 /nfs/dbraw/zinc/40/33/42/608403342.db2.gz QREBBPJUCWPRDO-NXEZZACHSA-N -1 1 273.344 1.895 20 0 CDADMM COc1ccc([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826189156 608407405 /nfs/dbraw/zinc/40/74/05/608407405.db2.gz OSAMBGKVKNMUFU-VIFPVBQESA-N -1 1 297.322 1.838 20 0 CDADMM COc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826189156 608407407 /nfs/dbraw/zinc/40/74/07/608407407.db2.gz OSAMBGKVKNMUFU-VIFPVBQESA-N -1 1 297.322 1.838 20 0 CDADMM c1coc([C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC000826526076 608417806 /nfs/dbraw/zinc/41/78/06/608417806.db2.gz KAPFGVTWLBMCKZ-VIFPVBQESA-N -1 1 283.295 1.244 20 0 CDADMM c1coc([C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC000826526076 608417808 /nfs/dbraw/zinc/41/78/08/608417808.db2.gz KAPFGVTWLBMCKZ-VIFPVBQESA-N -1 1 283.295 1.244 20 0 CDADMM CC(C)CC[C@](C)(O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824243712 608422079 /nfs/dbraw/zinc/42/20/79/608422079.db2.gz MSAZQQKYKMAPMK-ZDUSSCGKSA-N -1 1 291.359 1.256 20 0 CDADMM CC(C)CC[C@](C)(O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824243712 608422081 /nfs/dbraw/zinc/42/20/81/608422081.db2.gz MSAZQQKYKMAPMK-ZDUSSCGKSA-N -1 1 291.359 1.256 20 0 CDADMM c1cc(N2CCC[C@@H]3CCC[C@H]32)nnc1-c1nnn[n-]1 ZINC000826517272 608425311 /nfs/dbraw/zinc/42/53/11/608425311.db2.gz WTNFCYOZLXSRLU-GXSJLCMTSA-N -1 1 271.328 1.426 20 0 CDADMM c1cc(N2CCC[C@@H]3CCC[C@H]32)nnc1-c1nn[n-]n1 ZINC000826517272 608425312 /nfs/dbraw/zinc/42/53/12/608425312.db2.gz WTNFCYOZLXSRLU-GXSJLCMTSA-N -1 1 271.328 1.426 20 0 CDADMM Cc1nc(Cn2ccnc2-c2nnn[n-]2)sc1C ZINC000826326726 608888511 /nfs/dbraw/zinc/88/85/11/608888511.db2.gz BEWGLWULAFGNCX-UHFFFAOYSA-N -1 1 261.314 1.185 20 0 CDADMM Cc1nc(Cn2ccnc2-c2nn[n-]n2)sc1C ZINC000826326726 608888512 /nfs/dbraw/zinc/88/85/12/608888512.db2.gz BEWGLWULAFGNCX-UHFFFAOYSA-N -1 1 261.314 1.185 20 0 CDADMM CC(C)CCC[S@](=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824245379 609138965 /nfs/dbraw/zinc/13/89/65/609138965.db2.gz YJPIHQFQAQFMAP-FQEVSTJZSA-N -1 1 293.396 1.947 20 0 CDADMM CC(C)CCC[S@](=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824245379 609138966 /nfs/dbraw/zinc/13/89/66/609138966.db2.gz YJPIHQFQAQFMAP-FQEVSTJZSA-N -1 1 293.396 1.947 20 0 CDADMM Fc1cccc(F)c1CNc1n[nH]cc1-c1nnn[n-]1 ZINC000826377068 609514935 /nfs/dbraw/zinc/51/49/35/609514935.db2.gz CUOZVTCMKOMJOW-UHFFFAOYSA-N -1 1 277.238 1.480 20 0 CDADMM Fc1cccc(F)c1CNc1n[nH]cc1-c1nn[n-]n1 ZINC000826377068 609514937 /nfs/dbraw/zinc/51/49/37/609514937.db2.gz CUOZVTCMKOMJOW-UHFFFAOYSA-N -1 1 277.238 1.480 20 0 CDADMM COc1cc(C)cc(C(=O)N=S2(=O)CCOCC2)c1[O-] ZINC000891365975 617367267 /nfs/dbraw/zinc/36/72/67/617367267.db2.gz UYGOMWIVGBCOKN-UHFFFAOYSA-N -1 1 299.348 1.348 20 0 CDADMM COCc1nc(N(C)Cc2cccnc2)cc(=O)[n-]1 ZINC000891485984 617437700 /nfs/dbraw/zinc/43/77/00/617437700.db2.gz XJFNANMIFPPDDO-UHFFFAOYSA-N -1 1 260.297 1.360 20 0 CDADMM CC(C)=CC(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000940125218 614258401 /nfs/dbraw/zinc/25/84/01/614258401.db2.gz FPXFJXWNUNWEOY-LLVKDONJSA-N -1 1 289.335 1.084 20 0 CDADMM CO[C@@H](C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)C1CC1 ZINC000891617812 617506562 /nfs/dbraw/zinc/50/65/62/617506562.db2.gz KACWLBTZBYPELS-LLVKDONJSA-N -1 1 277.324 1.425 20 0 CDADMM CCC(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC000945290484 614897168 /nfs/dbraw/zinc/89/71/68/614897168.db2.gz UQRRKPPLGDLMMT-GHMZBOCLSA-N -1 1 291.351 1.164 20 0 CDADMM CCC(=O)N[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC000943569458 614912755 /nfs/dbraw/zinc/91/27/55/614912755.db2.gz FFPPFVZBNNGFBL-XYPYZODXSA-N -1 1 291.351 1.354 20 0 CDADMM COCc1nc(NCC2(SC)CCOCC2)cc(=O)[n-]1 ZINC000892681983 617587713 /nfs/dbraw/zinc/58/77/13/617587713.db2.gz SRTPWMYORYXCMY-UHFFFAOYSA-N -1 1 299.396 1.653 20 0 CDADMM CCCCCOC1CN(c2cc(=O)[n-]c(COC)n2)C1 ZINC000892856611 617834954 /nfs/dbraw/zinc/83/49/54/617834954.db2.gz RYLAEBMDHNKJJV-UHFFFAOYSA-N -1 1 281.356 1.724 20 0 CDADMM COCc1nc(N[C@H](C)C2CCOCC2)cc(=O)[n-]1 ZINC000892929087 617914596 /nfs/dbraw/zinc/91/45/96/617914596.db2.gz SJRMMZFEIRPJRZ-SECBINFHSA-N -1 1 267.329 1.556 20 0 CDADMM Cc1nc(N(C)CC[N@@H+]2CCOC(C)(C)C2)cc(=O)[nH]1 ZINC000893564066 618129027 /nfs/dbraw/zinc/12/90/27/618129027.db2.gz MXFIRFUBPZIWOT-UHFFFAOYSA-N -1 1 280.372 1.038 20 0 CDADMM C[C@@H]1CN(Cc2[nH]nc3ccccc32)C[C@H](C(=O)[O-])O1 ZINC000901911520 618367268 /nfs/dbraw/zinc/36/72/68/618367268.db2.gz WZOQCZAIOVRUCD-NOZJJQNGSA-N -1 1 275.308 1.237 20 0 CDADMM C[C@@H]1CN(Cc2ccc3cnccc3c2)C[C@@H](C(=O)[O-])O1 ZINC000901934153 618373799 /nfs/dbraw/zinc/37/37/99/618373799.db2.gz JOIZKKQFFJDCLD-ABAIWWIYSA-N -1 1 286.331 1.909 20 0 CDADMM Cn1nc([N-]S(=O)(=O)N2CCCCC2)c2ccccc21 ZINC000901986745 618423800 /nfs/dbraw/zinc/42/38/00/618423800.db2.gz KCYCLHDMOZBCKN-UHFFFAOYSA-N -1 1 294.380 1.716 20 0 CDADMM Cc1nc2cccc(C(=O)NC[C@H](C(=O)[O-])C(C)C)c2[nH]1 ZINC000902026191 618467915 /nfs/dbraw/zinc/46/79/15/618467915.db2.gz JSXYNWRVEYYNPS-NSHDSACASA-N -1 1 289.335 1.958 20 0 CDADMM Cc1cc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)sc1C ZINC000822176562 618537370 /nfs/dbraw/zinc/53/73/70/618537370.db2.gz KYOIJWAKZKVNNL-UHFFFAOYSA-N -1 1 289.324 1.520 20 0 CDADMM Cc1cc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)sc1C ZINC000822176562 618537380 /nfs/dbraw/zinc/53/73/80/618537380.db2.gz KYOIJWAKZKVNNL-UHFFFAOYSA-N -1 1 289.324 1.520 20 0 CDADMM O=C([O-])C1(CNC(=O)c2cccc3nc[nH]c32)CCC1 ZINC000902087190 618569380 /nfs/dbraw/zinc/56/93/80/618569380.db2.gz RGRZAQXNWXRFFX-UHFFFAOYSA-N -1 1 273.292 1.548 20 0 CDADMM C[C@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])N(C)C ZINC000902099679 618580243 /nfs/dbraw/zinc/58/02/43/618580243.db2.gz QWKSUMJYRUCTKD-MFKMUULPSA-N -1 1 276.336 1.147 20 0 CDADMM OC[C@@H]1CCCC[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000826509534 618593199 /nfs/dbraw/zinc/59/31/99/618593199.db2.gz YFMLQLUPBSKACT-VHSXEESVSA-N -1 1 274.328 1.225 20 0 CDADMM OC[C@@H]1CCCC[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000826509534 618593206 /nfs/dbraw/zinc/59/32/06/618593206.db2.gz YFMLQLUPBSKACT-VHSXEESVSA-N -1 1 274.328 1.225 20 0 CDADMM C[C@H]1CCN(CC(=O)NCCC(=O)[O-])[C@@H](c2ccco2)C1 ZINC000828285570 618617674 /nfs/dbraw/zinc/61/76/74/618617674.db2.gz NGQZTCDLGZRFTF-NWDGAFQWSA-N -1 1 294.351 1.644 20 0 CDADMM CCN(CC(=O)N(C[C@@H](C)C(=O)[O-])C1CC1)C1CC1 ZINC000909455638 619328956 /nfs/dbraw/zinc/32/89/56/619328956.db2.gz YZXZZPWBQXSTBH-SNVBAGLBSA-N -1 1 268.357 1.182 20 0 CDADMM Cc1cc(CC(=O)NC2(CC(=O)[O-])CCCC2)[nH]n1 ZINC000902766683 625344324 /nfs/dbraw/zinc/34/43/24/625344324.db2.gz PRESKRKSGMOCNZ-UHFFFAOYSA-N -1 1 265.313 1.164 20 0 CDADMM O=C([O-])c1csc(NC(=O)[C@H]2CCc3[nH]cnc3C2)c1 ZINC000909515909 619568457 /nfs/dbraw/zinc/56/84/57/619568457.db2.gz PBHZQFZHWXKMOK-ZETCQYMHSA-N -1 1 291.332 1.913 20 0 CDADMM CC(C)c1noc(CCC(=O)[N-]OCc2ccccn2)n1 ZINC000909527257 619811221 /nfs/dbraw/zinc/81/12/21/619811221.db2.gz UQDXNSNMCYKNEN-UHFFFAOYSA-N -1 1 290.323 1.769 20 0 CDADMM Cc1cc(CC(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])[nH]n1 ZINC000909533177 620032244 /nfs/dbraw/zinc/03/22/44/620032244.db2.gz MDZYMOJGYMWTLH-FZMZJTMJSA-N -1 1 279.340 1.410 20 0 CDADMM COC(=O)c1ccc(C(=O)O[C@H](C)c2nc(C)no2)[n-]1 ZINC000796345817 620295370 /nfs/dbraw/zinc/29/53/70/620295370.db2.gz NOBJQHPTSSVPBN-ZCFIWIBFSA-N -1 1 279.252 1.411 20 0 CDADMM O=C(Cc1ccc([O-])c(Cl)c1)NC[C@@H]1COCO1 ZINC000868861505 620302444 /nfs/dbraw/zinc/30/24/44/620302444.db2.gz SVNNCUWDWPHWJZ-SECBINFHSA-N -1 1 271.700 1.077 20 0 CDADMM C[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)N(C)C ZINC000909624599 620518092 /nfs/dbraw/zinc/51/80/92/620518092.db2.gz NZYCSJAXKJFVBF-KWCYVHTRSA-N -1 1 290.363 1.263 20 0 CDADMM C[C@@H](NC(=O)c1cccc2nc[nH]c21)[C@H](C)C(=O)[O-] ZINC000909650081 620545259 /nfs/dbraw/zinc/54/52/59/620545259.db2.gz GVUUPKITRAEALJ-JGVFFNPUSA-N -1 1 261.281 1.402 20 0 CDADMM CCO[C@@H](C)C(=O)Nc1cc(C(=O)OC(C)(C)C)[nH]n1 ZINC000898097529 621333862 /nfs/dbraw/zinc/33/38/62/621333862.db2.gz LXHXHTYTMHNFDF-QMMMGPOBSA-N -1 1 283.328 1.729 20 0 CDADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCC=C(Cl)C1 ZINC000898199735 621394282 /nfs/dbraw/zinc/39/42/82/621394282.db2.gz HCQZIRPVAXLXDE-UHFFFAOYSA-N -1 1 294.767 1.987 20 0 CDADMM O=C(NCc1nc([O-])cc(=O)[nH]1)C1CCC(F)(F)CC1 ZINC000898756553 621860838 /nfs/dbraw/zinc/86/08/38/621860838.db2.gz KZQIXTVOXLIGDN-UHFFFAOYSA-N -1 1 287.266 1.330 20 0 CDADMM C[C@H]1CCC[C@@H]1CC(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898757896 621861987 /nfs/dbraw/zinc/86/19/87/621861987.db2.gz UKRPWSXCWOCHBT-DTWKUNHWSA-N -1 1 265.313 1.330 20 0 CDADMM O=C(NCc1nc([O-])cc(=O)[nH]1)c1ccc2c(c1)CCC2 ZINC000898749337 621863941 /nfs/dbraw/zinc/86/39/41/621863941.db2.gz ATRXVOYWRPHNIG-UHFFFAOYSA-N -1 1 285.303 1.307 20 0 CDADMM O=C(NCc1nc([O-])cc(=O)[nH]1)C1(c2ccccc2)CC1 ZINC000898754671 621865721 /nfs/dbraw/zinc/86/57/21/621865721.db2.gz XWLGHAPNAMQVCD-UHFFFAOYSA-N -1 1 285.303 1.236 20 0 CDADMM O=C(N[C@H](CO)C[C@@H]1CCCO1)c1ccc([O-])cc1F ZINC000899290260 622158456 /nfs/dbraw/zinc/15/84/56/622158456.db2.gz QVOVGUHBCZDNPK-ONGXEEELSA-N -1 1 283.299 1.191 20 0 CDADMM COc1cnc(C=Cc2cn(C)nc2C2CC2)[n-]c1=O ZINC000899375489 622214244 /nfs/dbraw/zinc/21/42/44/622214244.db2.gz YDISEXDOPCKCSN-AATRIKPKSA-N -1 1 272.308 1.972 20 0 CDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)CCC2(C)CC2)CC1 ZINC000899538566 622302064 /nfs/dbraw/zinc/30/20/64/622302064.db2.gz UGBINAUSCULKAE-GFCCVEGCSA-N -1 1 282.384 1.574 20 0 CDADMM Cc1n[nH]cc1CN[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC000900072510 622675798 /nfs/dbraw/zinc/67/57/98/622675798.db2.gz ZWEXJOWVYFTTHM-SNVBAGLBSA-N -1 1 275.312 1.238 20 0 CDADMM O=C(NC(C1CC1)C1CC1)c1cnc(C2CC2)[n-]c1=O ZINC000900076375 622677398 /nfs/dbraw/zinc/67/73/98/622677398.db2.gz BDQXCSFVWHGCRE-UHFFFAOYSA-N -1 1 273.336 1.978 20 0 CDADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCCC[C@H]1CCO ZINC000900148135 622741831 /nfs/dbraw/zinc/74/18/31/622741831.db2.gz CDBULEOQKYGRIF-NSHDSACASA-N -1 1 291.351 1.437 20 0 CDADMM CC(C)(C)C[C@H](CO)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901159761 623937784 /nfs/dbraw/zinc/93/77/84/623937784.db2.gz WMRZKZCWPCNOBV-SNVBAGLBSA-N -1 1 293.367 1.587 20 0 CDADMM C[C@@H]1CCc2n[nH]c(C(=O)NC(C)(C)CCC(=O)[O-])c2C1 ZINC000901445140 624256383 /nfs/dbraw/zinc/25/63/83/624256383.db2.gz MXCPSNUOGBIFKL-SECBINFHSA-N -1 1 293.367 1.908 20 0 CDADMM COCCO[C@H]1CCCN(Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000901472918 624288079 /nfs/dbraw/zinc/28/80/79/624288079.db2.gz VUQHJGBCGAAUDW-LBPRGKRZSA-N -1 1 297.351 1.914 20 0 CDADMM COc1ccc(CN2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000901516052 624330654 /nfs/dbraw/zinc/33/06/54/624330654.db2.gz PGLFGYWBACDIKN-CYBMUJFWSA-N -1 1 253.273 1.694 20 0 CDADMM O=C1[N-]C(=O)C(=Cc2cnc(N3CCCC3)nc2)S1 ZINC000901554644 624333256 /nfs/dbraw/zinc/33/32/56/624333256.db2.gz AOYDNLMXXKKSAB-UITAMQMPSA-N -1 1 276.321 1.401 20 0 CDADMM C[C@@H](CN(C)Cc1cc(C(F)(F)F)n[nH]1)C(=O)[O-] ZINC000901595758 624352807 /nfs/dbraw/zinc/35/28/07/624352807.db2.gz BXMXSDATXHZRAU-LURJTMIESA-N -1 1 265.235 1.581 20 0 CDADMM C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000901574665 624357201 /nfs/dbraw/zinc/35/72/01/624357201.db2.gz JIHGYSURRONKOL-LYSGOOTNSA-N -1 1 291.351 1.399 20 0 CDADMM CC[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)N(C)C ZINC000901640902 624385664 /nfs/dbraw/zinc/38/56/64/624385664.db2.gz XNNMHVJFITURSV-OLZOCXBDSA-N -1 1 290.363 1.932 20 0 CDADMM CC1(C(=O)[O-])CCN(C(=O)c2cccc3[nH]cnc32)CC1 ZINC000901703672 624402191 /nfs/dbraw/zinc/40/21/91/624402191.db2.gz BSPDRHKSJDZAJW-UHFFFAOYSA-N -1 1 287.319 1.890 20 0 CDADMM C[C@@H]1CCc2n[nH]c(C(=O)NCCC(C)(C)C(=O)[O-])c2C1 ZINC000901689135 624407356 /nfs/dbraw/zinc/40/73/56/624407356.db2.gz 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299.415 1.611 20 0 CDADMM CCN1CCCC[C@@H]1C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001605477208 1163582244 /nfs/dbraw/zinc/58/22/44/1163582244.db2.gz KAGKEMJJXHIHCK-QWHCGFSZSA-N -1 1 282.384 1.478 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](C)[C@@H]2C)c1 ZINC001605560223 1163609224 /nfs/dbraw/zinc/60/92/24/1163609224.db2.gz QLASXIHDTAMLBA-UWVGGRQHSA-N -1 1 258.329 1.805 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](C)[C@@H]2C)c1 ZINC001605560223 1163609225 /nfs/dbraw/zinc/60/92/25/1163609225.db2.gz QLASXIHDTAMLBA-UWVGGRQHSA-N -1 1 258.329 1.805 20 0 CDADMM CCOc1ccc(CN2C[C@H](O)C[C@H](C(=O)[O-])C2)cc1F ZINC001605690798 1163643227 /nfs/dbraw/zinc/64/32/27/1163643227.db2.gz RAAIBAIREYNUMJ-NWDGAFQWSA-N -1 1 297.326 1.492 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H](C)CCCO ZINC001605805103 1163677314 /nfs/dbraw/zinc/67/73/14/1163677314.db2.gz PSRXCILKNPWJLZ-SECBINFHSA-N -1 1 276.344 1.391 20 0 CDADMM CCc1nnc(COC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)[nH]1 ZINC001605853258 1163690270 /nfs/dbraw/zinc/69/02/70/1163690270.db2.gz XNHGVFITCNIFRW-KYZUINATSA-N -1 1 281.312 1.301 20 0 CDADMM Cc1ccc(N[C@H]2COC[C@H]2C)nc1-c1nnn[n-]1 ZINC001605871538 1163699514 /nfs/dbraw/zinc/69/95/14/1163699514.db2.gz FZDZRXUILYWORV-BDAKNGLRSA-N -1 1 260.301 1.017 20 0 CDADMM Cc1ccc(N[C@H]2COC[C@H]2C)nc1-c1nn[n-]n1 ZINC001605871538 1163699515 /nfs/dbraw/zinc/69/95/15/1163699515.db2.gz FZDZRXUILYWORV-BDAKNGLRSA-N -1 1 260.301 1.017 20 0 CDADMM CCc1nocc1CN1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001605880139 1163705204 /nfs/dbraw/zinc/70/52/04/1163705204.db2.gz GQDZWZBLBULZOX-UHFFFAOYSA-N -1 1 293.323 1.433 20 0 CDADMM CCn1nc(C)c(CN[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@@H]23)n1 ZINC001605940177 1163720315 /nfs/dbraw/zinc/72/03/15/1163720315.db2.gz WRURKRYBNGEMBB-IRCOFANPSA-N -1 1 278.356 1.195 20 0 CDADMM CCn1nc(C)c(CN[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)n1 ZINC001605940174 1163721043 /nfs/dbraw/zinc/72/10/43/1163721043.db2.gz WRURKRYBNGEMBB-FIQHERPVSA-N -1 1 278.356 1.195 20 0 CDADMM Cc1cncc(COC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001605984253 1163736707 /nfs/dbraw/zinc/73/67/07/1163736707.db2.gz BMTLTPDCMKWGRJ-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1cncc(COC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001605984253 1163736712 /nfs/dbraw/zinc/73/67/12/1163736712.db2.gz BMTLTPDCMKWGRJ-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1[nH]nc(NC(=O)C[C@H]2CCC[C@@H]2C)c1-c1nn[n-]n1 ZINC001606013236 1163744167 /nfs/dbraw/zinc/74/41/67/1163744167.db2.gz IXQRWDDNLVEHLM-IONNQARKSA-N -1 1 289.343 1.663 20 0 CDADMM Cc1nc(N[C@@H]2CCCSC2)cc(-c2nnn[n-]2)n1 ZINC001606066274 1163760646 /nfs/dbraw/zinc/76/06/46/1163760646.db2.gz FZZSIVPFLIIORA-MRVPVSSYSA-N -1 1 277.357 1.273 20 0 CDADMM Cc1nc(N[C@@H]2CCCSC2)cc(-c2nn[n-]n2)n1 ZINC001606066274 1163760652 /nfs/dbraw/zinc/76/06/52/1163760652.db2.gz FZZSIVPFLIIORA-MRVPVSSYSA-N -1 1 277.357 1.273 20 0 CDADMM Cc1noc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)c1C ZINC001606133286 1163782627 /nfs/dbraw/zinc/78/26/27/1163782627.db2.gz DVGWEQKRDXFSRO-UHFFFAOYSA-N -1 1 288.267 1.625 20 0 CDADMM Cc1noc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)c1C ZINC001606133286 1163782631 /nfs/dbraw/zinc/78/26/31/1163782631.db2.gz DVGWEQKRDXFSRO-UHFFFAOYSA-N -1 1 288.267 1.625 20 0 CDADMM Cc1nsc(SCc2cnn(C)c2)c1-c1nnn[n-]1 ZINC001606163300 1163795217 /nfs/dbraw/zinc/79/52/17/1163795217.db2.gz BCGTVXRCSMLGER-UHFFFAOYSA-N -1 1 293.381 1.657 20 0 CDADMM Cc1nsc(SCc2cnn(C)c2)c1-c1nn[n-]n1 ZINC001606163300 1163795225 /nfs/dbraw/zinc/79/52/25/1163795225.db2.gz BCGTVXRCSMLGER-UHFFFAOYSA-N -1 1 293.381 1.657 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@H]1CCCOC1 ZINC001606169209 1163796357 /nfs/dbraw/zinc/79/63/57/1163796357.db2.gz FNCRHKPVWOQKLG-QMMMGPOBSA-N -1 1 278.268 1.104 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@H]1CCCOC1 ZINC001606169209 1163796363 /nfs/dbraw/zinc/79/63/63/1163796363.db2.gz FNCRHKPVWOQKLG-QMMMGPOBSA-N -1 1 278.268 1.104 20 0 CDADMM O=S(=O)([N-]Cc1ccccc1)c1nccs1 ZINC000035905095 1163835595 /nfs/dbraw/zinc/83/55/95/1163835595.db2.gz KDYMWIROMKTPMU-UHFFFAOYSA-N -1 1 254.336 1.622 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCC1CC=CC1 ZINC001606596850 1163937181 /nfs/dbraw/zinc/93/71/81/1163937181.db2.gz YBPNRNJAIZHWNR-UHFFFAOYSA-N -1 1 285.307 1.314 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCC1CC=CC1 ZINC001606596850 1163937189 /nfs/dbraw/zinc/93/71/89/1163937189.db2.gz YBPNRNJAIZHWNR-UHFFFAOYSA-N -1 1 285.307 1.314 20 0 CDADMM COC(CN(C/C=C\Cl)CCC(=O)[O-])OC ZINC001606667827 1163954351 /nfs/dbraw/zinc/95/43/51/1163954351.db2.gz CLFVYAYWQGKRDC-HYXAFXHYSA-N -1 1 251.710 1.135 20 0 CDADMM O=C(NCC1=CCCCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001606716118 1163969908 /nfs/dbraw/zinc/96/99/08/1163969908.db2.gz MBMSMRRLYAVLOA-UHFFFAOYSA-N -1 1 284.323 1.492 20 0 CDADMM O=C(NCC1=CCCCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001606716118 1163969909 /nfs/dbraw/zinc/96/99/09/1163969909.db2.gz MBMSMRRLYAVLOA-UHFFFAOYSA-N -1 1 284.323 1.492 20 0 CDADMM O=C(NCCCCCCO)c1csc(-c2nn[n-]n2)c1 ZINC001606766315 1163988316 /nfs/dbraw/zinc/98/83/16/1163988316.db2.gz TZGFENNWFDPKLS-UHFFFAOYSA-N -1 1 295.368 1.211 20 0 CDADMM O=C(NCCCC1CC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606764427 1163988442 /nfs/dbraw/zinc/98/84/42/1163988442.db2.gz QIPFVBAFMUVNMS-UHFFFAOYSA-N -1 1 287.327 1.573 20 0 CDADMM O=C(NCCCC1CC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606764427 1163988447 /nfs/dbraw/zinc/98/84/47/1163988447.db2.gz QIPFVBAFMUVNMS-UHFFFAOYSA-N -1 1 287.327 1.573 20 0 CDADMM COCc1cc(NCc2cnc[nH]2)cc(C(=O)[O-])c1 ZINC001606951928 1164036616 /nfs/dbraw/zinc/03/66/16/1164036616.db2.gz QKTZOYKQVARSQQ-UHFFFAOYSA-N -1 1 261.281 1.866 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001606982740 1164048629 /nfs/dbraw/zinc/04/86/29/1164048629.db2.gz VOZWIHAGWVYZRI-QJPTWQEYSA-N -1 1 299.334 1.741 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001606982740 1164048636 /nfs/dbraw/zinc/04/86/36/1164048636.db2.gz VOZWIHAGWVYZRI-QJPTWQEYSA-N -1 1 299.334 1.741 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1C/C(Cl)=C\Cl ZINC001607090951 1164077156 /nfs/dbraw/zinc/07/71/56/1164077156.db2.gz DQDSXALSDPTWTF-XVNBXDOJSA-N -1 1 272.095 1.347 20 0 CDADMM OC1CC2(C[C@H]2Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001607099819 1164079684 /nfs/dbraw/zinc/07/96/84/1164079684.db2.gz DJINPNBOHGHNMI-GCPHKZAYSA-N -1 1 298.759 1.302 20 0 CDADMM c1cc(N2CCOC[C@H]2C2CCC2)cc(-c2nnn[n-]2)n1 ZINC001607119812 1164102260 /nfs/dbraw/zinc/10/22/60/1164102260.db2.gz MEFZNOHSXVHNDY-ZDUSSCGKSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(N2CCOC[C@H]2C2CCC2)cc(-c2nn[n-]n2)n1 ZINC001607119812 1164102264 /nfs/dbraw/zinc/10/22/64/1164102264.db2.gz MEFZNOHSXVHNDY-ZDUSSCGKSA-N -1 1 286.339 1.267 20 0 CDADMM c1nc2c(s1)CN(c1cccnc1-c1nnn[n-]1)CC2 ZINC001607133361 1164113200 /nfs/dbraw/zinc/11/32/00/1164113200.db2.gz DWNPEVWNTNUIPD-UHFFFAOYSA-N -1 1 285.336 1.281 20 0 CDADMM c1nc2c(s1)CN(c1cccnc1-c1nn[n-]n1)CC2 ZINC001607133361 1164113205 /nfs/dbraw/zinc/11/32/05/1164113205.db2.gz DWNPEVWNTNUIPD-UHFFFAOYSA-N -1 1 285.336 1.281 20 0 CDADMM c1ccc2c(c1)N(c1cc(-c3nnn[n-]3)ncn1)CC21CC1 ZINC001607133045 1164113315 /nfs/dbraw/zinc/11/33/15/1164113315.db2.gz YVDLUVZBAQGKKQ-UHFFFAOYSA-N -1 1 291.318 1.840 20 0 CDADMM c1ccc2c(c1)N(c1cc(-c3nn[n-]n3)ncn1)CC21CC1 ZINC001607133045 1164113318 /nfs/dbraw/zinc/11/33/18/1164113318.db2.gz YVDLUVZBAQGKKQ-UHFFFAOYSA-N -1 1 291.318 1.840 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(SC[C@@H]2C[C@@]23CCOC3)c1 ZINC001607133626 1164113429 /nfs/dbraw/zinc/11/34/29/1164113429.db2.gz KUWKNAQZLHRVNY-TVQRCGJNSA-N -1 1 289.364 1.780 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(SC[C@@H]2C[C@@]23CCOC3)c1 ZINC001607133626 1164113432 /nfs/dbraw/zinc/11/34/32/1164113432.db2.gz KUWKNAQZLHRVNY-TVQRCGJNSA-N -1 1 289.364 1.780 20 0 CDADMM Cc1cc(C[C@@H](C)NC(=O)c2cncc(C(=O)[O-])c2)n[nH]1 ZINC001607637190 1164247111 /nfs/dbraw/zinc/24/71/11/1164247111.db2.gz CLIZJCFIHYRKFI-MRVPVSSYSA-N -1 1 288.307 1.172 20 0 CDADMM O=C(Cc1ccco1)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000340537809 1164325502 /nfs/dbraw/zinc/32/55/02/1164325502.db2.gz VCHFDYQCMFPISP-UHFFFAOYSA-N -1 1 299.290 1.553 20 0 CDADMM Cc1ccncc1[C@H](C)N[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001607897685 1164326450 /nfs/dbraw/zinc/32/64/50/1164326450.db2.gz XGPAGSSKVGNYAR-WCQYABFASA-N -1 1 291.351 1.116 20 0 CDADMM O=C(NCC[N-]C(=O)C(F)(F)F)OC1CCCCC1 ZINC001193637973 1164395024 /nfs/dbraw/zinc/39/50/24/1164395024.db2.gz GDLPYMFAOQVWOZ-UHFFFAOYSA-N -1 1 282.262 1.724 20 0 CDADMM O=C([O-])c1cc(NC(=O)Cc2nc[nH]n2)cc2[nH]ccc21 ZINC001608371339 1164501117 /nfs/dbraw/zinc/50/11/17/1164501117.db2.gz HCRLJNZWAVGSPQ-UHFFFAOYSA-N -1 1 285.263 1.165 20 0 CDADMM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1ccc(Cl)c(O)c1 ZINC001608490667 1164526707 /nfs/dbraw/zinc/52/67/07/1164526707.db2.gz UIUPKCICCPOVBV-APPZFPTMSA-N -1 1 269.684 1.639 20 0 CDADMM O=C([O-])C[C@@H]1COCCN1C[C@@H]1CC2(CCC2)CO1 ZINC001608701201 1164611351 /nfs/dbraw/zinc/61/13/51/1164611351.db2.gz QYQCXRZHXIGTNA-NEPJUHHUSA-N -1 1 269.341 1.121 20 0 CDADMM O=C([O-])c1ccc2c(c1)CN(CC1(O)CCSCC1)C2 ZINC001608923302 1164684183 /nfs/dbraw/zinc/68/41/83/1164684183.db2.gz NEKRIVQSDPKMEG-UHFFFAOYSA-N -1 1 293.388 1.959 20 0 CDADMM O=C([O-])c1cncc(CN2CCC[C@@H](c3ccncn3)C2)c1 ZINC001608980961 1164705017 /nfs/dbraw/zinc/70/50/17/1164705017.db2.gz XNLBQXCRBNTTQH-CYBMUJFWSA-N -1 1 298.346 1.949 20 0 CDADMM C[C@H](CC(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccccc1 ZINC001609108958 1164774732 /nfs/dbraw/zinc/77/47/32/1164774732.db2.gz JJZRIQWRHGXZFR-SECBINFHSA-N -1 1 297.322 1.479 20 0 CDADMM C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccccn1 ZINC001609121912 1164779190 /nfs/dbraw/zinc/77/91/90/1164779190.db2.gz LAOSLUAUMPALCL-VIFPVBQESA-N -1 1 295.306 1.148 20 0 CDADMM C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccccn1 ZINC001609121912 1164779194 /nfs/dbraw/zinc/77/91/94/1164779194.db2.gz LAOSLUAUMPALCL-VIFPVBQESA-N -1 1 295.306 1.148 20 0 CDADMM C[C@@H]1COCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609177167 1164818061 /nfs/dbraw/zinc/81/80/61/1164818061.db2.gz PMKDSBZXAZFOEG-HTQZYQBOSA-N -1 1 293.352 1.083 20 0 CDADMM C[C@@H]1COCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609177167 1164818068 /nfs/dbraw/zinc/81/80/68/1164818068.db2.gz PMKDSBZXAZFOEG-HTQZYQBOSA-N -1 1 293.352 1.083 20 0 CDADMM CC[C@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001609199726 1164838458 /nfs/dbraw/zinc/83/84/58/1164838458.db2.gz DIXSVEMPPLBIHZ-VHSXEESVSA-N -1 1 273.344 1.895 20 0 CDADMM CC[C@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001609199726 1164838464 /nfs/dbraw/zinc/83/84/64/1164838464.db2.gz DIXSVEMPPLBIHZ-VHSXEESVSA-N -1 1 273.344 1.895 20 0 CDADMM CCOCCCC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609240493 1164860867 /nfs/dbraw/zinc/86/08/67/1164860867.db2.gz JOVLZOCIHUAVDN-UHFFFAOYSA-N -1 1 276.300 1.017 20 0 CDADMM CCOCCCC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609240493 1164860871 /nfs/dbraw/zinc/86/08/71/1164860871.db2.gz JOVLZOCIHUAVDN-UHFFFAOYSA-N -1 1 276.300 1.017 20 0 CDADMM CCOc1ccccc1Cn1cccc(-c2nn[n-]n2)c1=O ZINC001609246425 1164864686 /nfs/dbraw/zinc/86/46/86/1164864686.db2.gz DPAHYKWNXRMHHV-UHFFFAOYSA-N -1 1 297.318 1.475 20 0 CDADMM CCn1cccc(CNc2cccc(-c3nnn[n-]3)n2)c1=O ZINC001609258427 1164867065 /nfs/dbraw/zinc/86/70/65/1164867065.db2.gz IAVPNUDHEUFRIN-UHFFFAOYSA-N -1 1 297.322 1.055 20 0 CDADMM CCn1cccc(CNc2cccc(-c3nn[n-]n3)n2)c1=O ZINC001609258427 1164867066 /nfs/dbraw/zinc/86/70/66/1164867066.db2.gz IAVPNUDHEUFRIN-UHFFFAOYSA-N -1 1 297.322 1.055 20 0 CDADMM CO[C@H]1CC[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001609313523 1164895294 /nfs/dbraw/zinc/89/52/94/1164895294.db2.gz MIOOUSJYPGGBDR-JGVFFNPUSA-N -1 1 278.268 1.184 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCC2(C)CCCC2)n1 ZINC001609392094 1164925127 /nfs/dbraw/zinc/92/51/27/1164925127.db2.gz GSBFFFJPEQTRPQ-UHFFFAOYSA-N -1 1 273.344 1.957 20 0 CDADMM Cc1ccc(Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)cc1 ZINC001609424237 1164939961 /nfs/dbraw/zinc/93/99/61/1164939961.db2.gz WRDUQQATEIFAOA-UHFFFAOYSA-N -1 1 296.334 1.397 20 0 CDADMM Cc1noc(C)c1CCOc1cccnc1-c1nnn[n-]1 ZINC001609462549 1164960611 /nfs/dbraw/zinc/96/06/11/1164960611.db2.gz GVMJPPISKPTAGK-UHFFFAOYSA-N -1 1 286.295 1.488 20 0 CDADMM Cc1noc(C)c1CCOc1cccnc1-c1nn[n-]n1 ZINC001609462549 1164960614 /nfs/dbraw/zinc/96/06/14/1164960614.db2.gz GVMJPPISKPTAGK-UHFFFAOYSA-N -1 1 286.295 1.488 20 0 CDADMM Cc1nsc(NCC2=CCOCC2)c1-c1nn[n-]n1 ZINC001609466180 1164962751 /nfs/dbraw/zinc/96/27/51/1164962751.db2.gz HLNAYAXCSMZPKU-UHFFFAOYSA-N -1 1 278.341 1.390 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C)C1CC1 ZINC001609468422 1164965785 /nfs/dbraw/zinc/96/57/85/1164965785.db2.gz UAXQHWYMTQXABB-LURJTMIESA-N -1 1 261.285 1.296 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C)C1CC1 ZINC001609468422 1164965793 /nfs/dbraw/zinc/96/57/93/1164965793.db2.gz UAXQHWYMTQXABB-LURJTMIESA-N -1 1 261.285 1.296 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@H]1CCC=CO1 ZINC001609467403 1164965853 /nfs/dbraw/zinc/96/58/53/1164965853.db2.gz DZUDDDBYYCIKEG-VIFPVBQESA-N -1 1 289.295 1.191 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@H]1CCC=CO1 ZINC001609467403 1164965859 /nfs/dbraw/zinc/96/58/59/1164965859.db2.gz DZUDDDBYYCIKEG-VIFPVBQESA-N -1 1 289.295 1.191 20 0 CDADMM Fc1cccc(CNc2cccnc2-c2nnn[n-]2)n1 ZINC001609491878 1164974257 /nfs/dbraw/zinc/97/42/57/1164974257.db2.gz MMLRNAKPLLUHCZ-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM Fc1cccc(CNc2cccnc2-c2nn[n-]n2)n1 ZINC001609491878 1164974262 /nfs/dbraw/zinc/97/42/62/1164974262.db2.gz MMLRNAKPLLUHCZ-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM C/C(=C\CN1CC[C@H](n2cc(Cl)cn2)C1)C(=O)[O-] ZINC001609503750 1164979256 /nfs/dbraw/zinc/97/92/56/1164979256.db2.gz ZCFIMOFKKZVPIC-GXQKKRFUSA-N -1 1 269.732 1.814 20 0 CDADMM O=C(N[C@@H]1C=CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001609540298 1164984221 /nfs/dbraw/zinc/98/42/21/1164984221.db2.gz VXQRRDYIYHINOJ-SNVBAGLBSA-N -1 1 270.296 1.100 20 0 CDADMM O=C(N[C@@H]1C=CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001609540298 1164984226 /nfs/dbraw/zinc/98/42/26/1164984226.db2.gz VXQRRDYIYHINOJ-SNVBAGLBSA-N -1 1 270.296 1.100 20 0 CDADMM OC[C@H](Nc1ccnc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001609608978 1165005177 /nfs/dbraw/zinc/00/51/77/1165005177.db2.gz CQXBDXBOXDWSIT-ZDUSSCGKSA-N -1 1 288.355 1.037 20 0 CDADMM OC[C@H](Nc1ccnc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001609608978 1165005182 /nfs/dbraw/zinc/00/51/82/1165005182.db2.gz CQXBDXBOXDWSIT-ZDUSSCGKSA-N -1 1 288.355 1.037 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2C[C@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC001609613079 1165006350 /nfs/dbraw/zinc/00/63/50/1165006350.db2.gz IVNSEVHWVRCASR-DZGCQCFKSA-N -1 1 298.350 1.410 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2C[C@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC001609613079 1165006356 /nfs/dbraw/zinc/00/63/56/1165006356.db2.gz IVNSEVHWVRCASR-DZGCQCFKSA-N -1 1 298.350 1.410 20 0 CDADMM c1cc(N[C@@H]2CCC[C@@H]3C[C@@H]32)nc(-c2nnn[n-]2)c1 ZINC001609614739 1165008759 /nfs/dbraw/zinc/00/87/59/1165008759.db2.gz KICQVMWNJRIXMN-KXUCPTDWSA-N -1 1 256.313 1.862 20 0 CDADMM c1cc(N[C@@H]2CCC[C@@H]3C[C@@H]32)nc(-c2nn[n-]n2)c1 ZINC001609614739 1165008762 /nfs/dbraw/zinc/00/87/62/1165008762.db2.gz KICQVMWNJRIXMN-KXUCPTDWSA-N -1 1 256.313 1.862 20 0 CDADMM c1ccc2c(c1)CC[C@H](Nc1cnc(-c3nnn[n-]3)cn1)C2 ZINC001609618099 1165011555 /nfs/dbraw/zinc/01/15/55/1165011555.db2.gz QEYSDWNJNQYQLW-LBPRGKRZSA-N -1 1 293.334 1.626 20 0 CDADMM c1ccc2c(c1)CC[C@H](Nc1cnc(-c3nn[n-]n3)cn1)C2 ZINC001609618099 1165011562 /nfs/dbraw/zinc/01/15/62/1165011562.db2.gz QEYSDWNJNQYQLW-LBPRGKRZSA-N -1 1 293.334 1.626 20 0 CDADMM c1ccc2c(c1)OC[C@H]2CNc1nccnc1-c1nnn[n-]1 ZINC001609618415 1165014859 /nfs/dbraw/zinc/01/48/59/1165014859.db2.gz FVDRWFNGEOIZTF-SECBINFHSA-N -1 1 295.306 1.245 20 0 CDADMM c1ccc2c(c1)OC[C@H]2CNc1nccnc1-c1nn[n-]n1 ZINC001609618415 1165014862 /nfs/dbraw/zinc/01/48/62/1165014862.db2.gz FVDRWFNGEOIZTF-SECBINFHSA-N -1 1 295.306 1.245 20 0 CDADMM COc1ccc(CNC(=O)C(F)(F)F)cc1C(=O)[O-] ZINC001610332584 1165291200 /nfs/dbraw/zinc/29/12/00/1165291200.db2.gz HHJHQSBYHJBABN-UHFFFAOYSA-N -1 1 277.198 1.572 20 0 CDADMM Cc1ccc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cn1 ZINC001610484242 1165327139 /nfs/dbraw/zinc/32/71/39/1165327139.db2.gz RJHQQUPRMOXAER-GFCCVEGCSA-N -1 1 291.351 1.011 20 0 CDADMM O=C([O-])[C@@H](NCC(=O)NCCC1CCCCC1)C1CC1 ZINC001610665556 1165401309 /nfs/dbraw/zinc/40/13/09/1165401309.db2.gz JKHSMIDMCKOHDU-AWEZNQCLSA-N -1 1 282.384 1.526 20 0 CDADMM O=C([O-])[C@H](c1ccsc1)N1CCOC2(CCOCC2)C1 ZINC001610725237 1165416409 /nfs/dbraw/zinc/41/64/09/1165416409.db2.gz XUXDFLAPJFZFHL-LBPRGKRZSA-N -1 1 297.376 1.755 20 0 CDADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(N)nc2)c1 ZINC000019952084 1165662967 /nfs/dbraw/zinc/66/29/67/1165662967.db2.gz LSDLLIYIKKAHNP-UHFFFAOYSA-N -1 1 293.348 1.907 20 0 CDADMM Cc1ccccc1CNc1cnc(-c2nnn[n-]2)cn1 ZINC000095326298 1166622802 /nfs/dbraw/zinc/62/28/02/1166622802.db2.gz TZDJSOWBHADLJG-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1ccccc1CNc1cnc(-c2nn[n-]n2)cn1 ZINC000095326298 1166622807 /nfs/dbraw/zinc/62/28/07/1166622807.db2.gz TZDJSOWBHADLJG-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM O=c1cc(-c2cc(F)c(F)cc2F)[n-]n1C1=NCCN1 ZINC001245915759 1167407974 /nfs/dbraw/zinc/40/79/74/1167407974.db2.gz ZZROYSKPCCQFIO-UHFFFAOYSA-N -1 1 282.225 1.480 20 0 CDADMM Cc1sc(C(=O)[O-])cc1NC(=O)C[C@H]1COCCN1 ZINC001608062050 1167921228 /nfs/dbraw/zinc/92/12/28/1167921228.db2.gz WFBNUNHYGLDRMS-QMMMGPOBSA-N -1 1 284.337 1.072 20 0 CDADMM O=C([O-])C[C@@H]1COCCN1CCC1SCCS1 ZINC001647548642 1168809266 /nfs/dbraw/zinc/80/92/66/1168809266.db2.gz VPPNWYMHKWABMS-SECBINFHSA-N -1 1 277.411 1.358 20 0 CDADMM CC(C)c1ncc(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)[nH]1 ZINC001573532912 1170684250 /nfs/dbraw/zinc/68/42/50/1170684250.db2.gz GQPYEQLVPOVEEO-WCABBAIRSA-N -1 1 277.324 1.326 20 0 CDADMM Cc1cc(=O)[n-]c(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)n1 ZINC001574143447 1170897066 /nfs/dbraw/zinc/89/70/66/1170897066.db2.gz FHHBDMFJLSCNLM-WDEREUQCSA-N -1 1 294.355 1.359 20 0 CDADMM Cc1nc(CNc2nc(C(F)(F)F)c(C(=O)[O-])o2)n[nH]1 ZINC001574179831 1170907433 /nfs/dbraw/zinc/90/74/33/1170907433.db2.gz XGYNEEBCBKZIML-UHFFFAOYSA-N -1 1 291.189 1.430 20 0 CDADMM CCN(CC(=O)NCC1(CC(=O)[O-])CCCC1)C1CC1 ZINC001650501904 1171130239 /nfs/dbraw/zinc/13/02/39/1171130239.db2.gz DEXWZRFUVZUHNZ-UHFFFAOYSA-N -1 1 282.384 1.622 20 0 CDADMM CCc1nc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)c(C)o1 ZINC001578611845 1171962691 /nfs/dbraw/zinc/96/26/91/1171962691.db2.gz BPZPMYAADMFEDO-UHFFFAOYSA-N -1 1 299.294 1.373 20 0 CDADMM CCc1nc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)c(C)o1 ZINC001578611845 1171962695 /nfs/dbraw/zinc/96/26/95/1171962695.db2.gz BPZPMYAADMFEDO-UHFFFAOYSA-N -1 1 299.294 1.373 20 0 CDADMM Cc1nn(C)c(NC(=O)c2ccsc2)c1-c1nnn[n-]1 ZINC001581594910 1172615986 /nfs/dbraw/zinc/61/59/86/1172615986.db2.gz JSEQRWKLTXQTGF-UHFFFAOYSA-N -1 1 289.324 1.222 20 0 CDADMM Cc1nn(C)c(NC(=O)c2ccsc2)c1-c1nn[n-]n1 ZINC001581594910 1172615990 /nfs/dbraw/zinc/61/59/90/1172615990.db2.gz JSEQRWKLTXQTGF-UHFFFAOYSA-N -1 1 289.324 1.222 20 0 CDADMM Clc1nccnc1CNc1cccc(-c2nnn[n-]2)n1 ZINC001581746806 1172618726 /nfs/dbraw/zinc/61/87/26/1172618726.db2.gz MUZQIPBXTQBVDC-UHFFFAOYSA-N -1 1 288.702 1.317 20 0 CDADMM Clc1nccnc1CNc1cccc(-c2nn[n-]n2)n1 ZINC001581746806 1172618731 /nfs/dbraw/zinc/61/87/31/1172618731.db2.gz MUZQIPBXTQBVDC-UHFFFAOYSA-N -1 1 288.702 1.317 20 0 CDADMM c1cc2cccc(CNc3ccnc(-c4nn[n-]n4)n3)c2[nH]1 ZINC001582816616 1172696019 /nfs/dbraw/zinc/69/60/19/1172696019.db2.gz MPWFNSRZKXXJHK-UHFFFAOYSA-N -1 1 292.306 1.172 20 0 CDADMM CN(C(=O)c1cc(-c2cccc(F)c2)no1)c1nn[n-]n1 ZINC001586262206 1172938176 /nfs/dbraw/zinc/93/81/76/1172938176.db2.gz ITMILVUNFIYEER-UHFFFAOYSA-N -1 1 288.242 1.270 20 0 CDADMM COC(=O)c1nc[nH]c1NC(=O)c1ccc2cccnc2n1 ZINC001587265539 1172978224 /nfs/dbraw/zinc/97/82/24/1172978224.db2.gz OLHHBVYBNVFALI-UHFFFAOYSA-N -1 1 297.274 1.392 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCC2=CCCOC2)c1 ZINC001588384583 1173056972 /nfs/dbraw/zinc/05/69/72/1173056972.db2.gz YFTKDYFTRCIWNQ-UHFFFAOYSA-N -1 1 258.285 1.020 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCC2=CCCOC2)c1 ZINC001588384583 1173056980 /nfs/dbraw/zinc/05/69/80/1173056980.db2.gz YFTKDYFTRCIWNQ-UHFFFAOYSA-N -1 1 258.285 1.020 20 0 CDADMM CC(=CC(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccccc1 ZINC001588768476 1173106029 /nfs/dbraw/zinc/10/60/29/1173106029.db2.gz NVJQGUYQFJSVMS-VQHVLOKHSA-N -1 1 295.306 1.389 20 0 CDADMM CC(C)[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001589501278 1173151303 /nfs/dbraw/zinc/15/13/03/1173151303.db2.gz YNIFKNXFQRXRSH-GXSJLCMTSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001589501278 1173151309 /nfs/dbraw/zinc/15/13/09/1173151309.db2.gz YNIFKNXFQRXRSH-GXSJLCMTSA-N -1 1 289.343 1.272 20 0 CDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001589878014 1173192155 /nfs/dbraw/zinc/19/21/55/1173192155.db2.gz HLWSAYUSMYFOLG-JTQLQIEISA-N -1 1 287.371 1.707 20 0 CDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001589880044 1173193319 /nfs/dbraw/zinc/19/33/19/1173193319.db2.gz ZCNLEPHKYYEDFN-SNVBAGLBSA-N -1 1 281.323 1.872 20 0 CDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001589880044 1173193329 /nfs/dbraw/zinc/19/33/29/1173193329.db2.gz ZCNLEPHKYYEDFN-SNVBAGLBSA-N -1 1 281.323 1.872 20 0 CDADMM C[C@H](COC(=O)c1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC001589886220 1173195342 /nfs/dbraw/zinc/19/53/42/1173195342.db2.gz YZKWRYITIGFXOQ-SSDOTTSWSA-N -1 1 262.269 1.663 20 0 CDADMM CC(F)(F)C(C)(C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589906558 1173201032 /nfs/dbraw/zinc/20/10/32/1173201032.db2.gz NGQGBAGMSRJPIR-UHFFFAOYSA-N -1 1 296.281 1.425 20 0 CDADMM CC(F)(F)C(C)(C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589906558 1173201037 /nfs/dbraw/zinc/20/10/37/1173201037.db2.gz NGQGBAGMSRJPIR-UHFFFAOYSA-N -1 1 296.281 1.425 20 0 CDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)o1)C(=O)C(C)(C)C ZINC001590010309 1173232887 /nfs/dbraw/zinc/23/28/87/1173232887.db2.gz OUFGFRPRLABBBG-SSDOTTSWSA-N -1 1 292.295 1.620 20 0 CDADMM CC1(C)C[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)CCS1 ZINC001590083927 1173248920 /nfs/dbraw/zinc/24/89/20/1173248920.db2.gz OYQYBMPSDGWKNC-QMMMGPOBSA-N -1 1 291.384 1.743 20 0 CDADMM CC1(C)C[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)CCS1 ZINC001590083927 1173248927 /nfs/dbraw/zinc/24/89/27/1173248927.db2.gz OYQYBMPSDGWKNC-QMMMGPOBSA-N -1 1 291.384 1.743 20 0 CDADMM CC1(C)C[C@]1(C)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590087541 1173252264 /nfs/dbraw/zinc/25/22/64/1173252264.db2.gz UKVOXLUXKSNPIP-ZDUSSCGKSA-N -1 1 272.312 1.180 20 0 CDADMM CC1(C)C[C@]1(C)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590087541 1173252268 /nfs/dbraw/zinc/25/22/68/1173252268.db2.gz UKVOXLUXKSNPIP-ZDUSSCGKSA-N -1 1 272.312 1.180 20 0 CDADMM CC1(C)CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001590094689 1173254161 /nfs/dbraw/zinc/25/41/61/1173254161.db2.gz JOZNTXPJXOMDSG-SECBINFHSA-N -1 1 273.344 1.895 20 0 CDADMM CC1(C)CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001590094689 1173254164 /nfs/dbraw/zinc/25/41/64/1173254164.db2.gz JOZNTXPJXOMDSG-SECBINFHSA-N -1 1 273.344 1.895 20 0 CDADMM CC1(C)CC[C@H]1OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590093093 1173254402 /nfs/dbraw/zinc/25/44/02/1173254402.db2.gz NWMRPSZOXOUFNC-SECBINFHSA-N -1 1 262.269 1.805 20 0 CDADMM CC1(C)CC[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590090642 1173254759 /nfs/dbraw/zinc/25/47/59/1173254759.db2.gz OQUXKUQASBUVJN-SECBINFHSA-N -1 1 286.339 1.570 20 0 CDADMM CC1(C)CC[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590090642 1173254766 /nfs/dbraw/zinc/25/47/66/1173254766.db2.gz OQUXKUQASBUVJN-SECBINFHSA-N -1 1 286.339 1.570 20 0 CDADMM CC1(C)CC[C@H](OC(=O)c2ccc(-c3nn[n-]n3)o2)C1=O ZINC001590090591 1173255135 /nfs/dbraw/zinc/25/51/35/1173255135.db2.gz NYSYGWIWGJCSIB-ZETCQYMHSA-N -1 1 290.279 1.374 20 0 CDADMM CC1(OC(=O)c2ccnc(-c3nnn[n-]3)c2)CCCC1 ZINC001590149808 1173273780 /nfs/dbraw/zinc/27/37/80/1173273780.db2.gz CESRHGMTSACGHX-UHFFFAOYSA-N -1 1 273.296 1.751 20 0 CDADMM CC1(OC(=O)c2ccnc(-c3nn[n-]n3)c2)CCCC1 ZINC001590149808 1173273785 /nfs/dbraw/zinc/27/37/85/1173273785.db2.gz CESRHGMTSACGHX-UHFFFAOYSA-N -1 1 273.296 1.751 20 0 CDADMM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590186283 1173281479 /nfs/dbraw/zinc/28/14/79/1173281479.db2.gz BRSGUSPGUKAMCZ-BBBLOLIVSA-N -1 1 289.339 1.966 20 0 CDADMM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590186283 1173281485 /nfs/dbraw/zinc/28/14/85/1173281485.db2.gz BRSGUSPGUKAMCZ-BBBLOLIVSA-N -1 1 289.339 1.966 20 0 CDADMM C[C@H]1CCC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)o2)O1 ZINC001590243693 1173314177 /nfs/dbraw/zinc/31/41/77/1173314177.db2.gz PRUMIUSAPROIOW-DTWKUNHWSA-N -1 1 291.311 1.147 20 0 CDADMM C[C@H]1CCC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)o2)O1 ZINC001590243693 1173314186 /nfs/dbraw/zinc/31/41/86/1173314186.db2.gz PRUMIUSAPROIOW-DTWKUNHWSA-N -1 1 291.311 1.147 20 0 CDADMM C[C@@H]1CCC[C@@H](OC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590249062 1173318863 /nfs/dbraw/zinc/31/88/63/1173318863.db2.gz ANMYURSYGKPVTO-NXEZZACHSA-N -1 1 287.323 1.997 20 0 CDADMM C[C@@H]1CCC[C@@H](OC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590249062 1173318868 /nfs/dbraw/zinc/31/88/68/1173318868.db2.gz ANMYURSYGKPVTO-NXEZZACHSA-N -1 1 287.323 1.997 20 0 CDADMM C[C@@H]1CCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590268383 1173326170 /nfs/dbraw/zinc/32/61/70/1173326170.db2.gz XATQBOSIEDOKIK-MRVPVSSYSA-N -1 1 273.300 1.135 20 0 CDADMM C[C@@H]1CCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590268383 1173326178 /nfs/dbraw/zinc/32/61/78/1173326178.db2.gz XATQBOSIEDOKIK-MRVPVSSYSA-N -1 1 273.300 1.135 20 0 CDADMM C[C@H]1Cc2n[nH]cc2CN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590328271 1173358478 /nfs/dbraw/zinc/35/84/78/1173358478.db2.gz WYGLSOMLPZCVSM-VIFPVBQESA-N -1 1 296.338 1.184 20 0 CDADMM C[C@@H]1OCC[C@H]1SCc1nc(-c2nnn[n-]2)cs1 ZINC001590339356 1173363091 /nfs/dbraw/zinc/36/30/91/1173363091.db2.gz WFHBSFIYYIINAF-POYBYMJQSA-N -1 1 283.382 1.734 20 0 CDADMM C[C@@H]1OCC[C@H]1SCc1nc(-c2nn[n-]n2)cs1 ZINC001590339356 1173363094 /nfs/dbraw/zinc/36/30/94/1173363094.db2.gz WFHBSFIYYIINAF-POYBYMJQSA-N -1 1 283.382 1.734 20 0 CDADMM C/C=C\C[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590354932 1173369689 /nfs/dbraw/zinc/36/96/89/1173369689.db2.gz NRNBUBADQSVNQV-QUCGXOGASA-N -1 1 285.355 1.839 20 0 CDADMM CC[C@](C)(NCc1ccc(-c2nn[n-]n2)s1)C(=O)OC ZINC001590384130 1173383306 /nfs/dbraw/zinc/38/33/06/1173383306.db2.gz KQJUOUOXUADQBQ-LBPRGKRZSA-N -1 1 295.368 1.360 20 0 CDADMM CC[C@](C)(COC(=O)c1ccc(-c2nnn[n-]2)s1)OC ZINC001590381334 1173383779 /nfs/dbraw/zinc/38/37/79/1173383779.db2.gz DSWOAKYCHJIXEM-GFCCVEGCSA-N -1 1 296.352 1.900 20 0 CDADMM CC[C@](C)(COC(=O)c1ccc(-c2nn[n-]n2)s1)OC ZINC001590381334 1173383781 /nfs/dbraw/zinc/38/37/81/1173383781.db2.gz DSWOAKYCHJIXEM-GFCCVEGCSA-N -1 1 296.352 1.900 20 0 CDADMM CC[C@H](C)OCC(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001590416515 1173402074 /nfs/dbraw/zinc/40/20/74/1173402074.db2.gz NJCYMXYIHFEYCT-QMMMGPOBSA-N -1 1 296.352 1.787 20 0 CDADMM CCC(F)(F)COc1cccnc1-c1nnn[n-]1 ZINC001590452008 1173414971 /nfs/dbraw/zinc/41/49/71/1173414971.db2.gz OWHFKEUSOLJGTH-UHFFFAOYSA-N -1 1 255.228 1.686 20 0 CDADMM CCC(F)(F)COc1cccnc1-c1nn[n-]n1 ZINC001590452008 1173414974 /nfs/dbraw/zinc/41/49/74/1173414974.db2.gz OWHFKEUSOLJGTH-UHFFFAOYSA-N -1 1 255.228 1.686 20 0 CDADMM CC[C@@H](O)CCCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590474488 1173427156 /nfs/dbraw/zinc/42/71/56/1173427156.db2.gz ACNRJIWGBUMQMO-SECBINFHSA-N -1 1 295.368 1.209 20 0 CDADMM CC[C@@H](Sc1cccnc1-c1nn[n-]n1)C(=O)OC ZINC001590482297 1173430813 /nfs/dbraw/zinc/43/08/13/1173430813.db2.gz DYQAMYWXJGSJTO-SSDOTTSWSA-N -1 1 279.325 1.305 20 0 CDADMM CC[C@@H](Sc1cccnc1-c1nnn[n-]1)C(=O)OC ZINC001590482297 1173430810 /nfs/dbraw/zinc/43/08/10/1173430810.db2.gz DYQAMYWXJGSJTO-SSDOTTSWSA-N -1 1 279.325 1.305 20 0 CDADMM CCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001590497295 1173434829 /nfs/dbraw/zinc/43/48/29/1173434829.db2.gz IMVZBNQJLOTARX-UHFFFAOYSA-N -1 1 259.317 1.213 20 0 CDADMM CCC1CCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001590514589 1173441280 /nfs/dbraw/zinc/44/12/80/1173441280.db2.gz JLBAMUJRBBMQPI-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CCC1CCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001590514589 1173441289 /nfs/dbraw/zinc/44/12/89/1173441289.db2.gz JLBAMUJRBBMQPI-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CC[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(C)n2)[C@H]1C ZINC001590515100 1173445227 /nfs/dbraw/zinc/44/52/27/1173445227.db2.gz WCZACEQWPRBTTI-WPRPVWTQSA-N -1 1 273.344 1.590 20 0 CDADMM CC[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(C)n2)[C@H]1C ZINC001590515100 1173445234 /nfs/dbraw/zinc/44/52/34/1173445234.db2.gz WCZACEQWPRBTTI-WPRPVWTQSA-N -1 1 273.344 1.590 20 0 CDADMM CC/C=C/COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590533060 1173454692 /nfs/dbraw/zinc/45/46/92/1173454692.db2.gz ZXCRTSPQLIGIDA-ONEGZZNKSA-N -1 1 259.269 1.385 20 0 CDADMM CC/C=C/COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590533060 1173454696 /nfs/dbraw/zinc/45/46/96/1173454696.db2.gz ZXCRTSPQLIGIDA-ONEGZZNKSA-N -1 1 259.269 1.385 20 0 CDADMM CCN(Cc1ccoc1)c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001590721023 1173500598 /nfs/dbraw/zinc/50/05/98/1173500598.db2.gz FEKLDLWLWHIWQU-UHFFFAOYSA-N -1 1 285.311 1.585 20 0 CDADMM CCN(Cc1ccoc1)c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001590721023 1173500605 /nfs/dbraw/zinc/50/06/05/1173500605.db2.gz FEKLDLWLWHIWQU-UHFFFAOYSA-N -1 1 285.311 1.585 20 0 CDADMM CCS(=O)(CC)=NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590850572 1173524466 /nfs/dbraw/zinc/52/44/66/1173524466.db2.gz XPDHCLFGDWBJAL-UHFFFAOYSA-N -1 1 283.313 1.108 20 0 CDADMM CCc1ccc(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)nc1 ZINC001590889947 1173535506 /nfs/dbraw/zinc/53/55/06/1173535506.db2.gz BWHYKFMOSHSHGC-UHFFFAOYSA-N -1 1 296.334 1.343 20 0 CDADMM CCc1cnn(Cc2nc(-c3nnn[n-]3)cs2)c1 ZINC001590901482 1173539364 /nfs/dbraw/zinc/53/93/64/1173539364.db2.gz FONGOJMWSHLFIG-UHFFFAOYSA-N -1 1 261.314 1.130 20 0 CDADMM CCc1cnn(Cc2nc(-c3nn[n-]n3)cs2)c1 ZINC001590901482 1173539365 /nfs/dbraw/zinc/53/93/65/1173539365.db2.gz FONGOJMWSHLFIG-UHFFFAOYSA-N -1 1 261.314 1.130 20 0 CDADMM CCc1nc(NC/C=C\Cl)cc(-c2nnn[n-]2)n1 ZINC001590919928 1173543989 /nfs/dbraw/zinc/54/39/89/1173543989.db2.gz OEMPXXZRAICSHS-ARJAWSKDSA-N -1 1 265.708 1.384 20 0 CDADMM CCc1nc(NC/C=C\Cl)cc(-c2nn[n-]n2)n1 ZINC001590919928 1173543996 /nfs/dbraw/zinc/54/39/96/1173543996.db2.gz OEMPXXZRAICSHS-ARJAWSKDSA-N -1 1 265.708 1.384 20 0 CDADMM CCc1nc(NCCC2CCC2)cc(-c2nnn[n-]2)n1 ZINC001590920365 1173545061 /nfs/dbraw/zinc/54/50/61/1173545061.db2.gz UMNIYCPLUPGLFA-UHFFFAOYSA-N -1 1 273.344 1.821 20 0 CDADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)C1(C)CCCC1 ZINC001590991940 1173557311 /nfs/dbraw/zinc/55/73/11/1173557311.db2.gz CTTXDWGQRSDVLU-UHFFFAOYSA-N -1 1 286.339 1.666 20 0 CDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)C1(C)CCCC1 ZINC001590991940 1173557317 /nfs/dbraw/zinc/55/73/17/1173557317.db2.gz CTTXDWGQRSDVLU-UHFFFAOYSA-N -1 1 286.339 1.666 20 0 CDADMM CN(CC(F)(F)F)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001591043975 1173564825 /nfs/dbraw/zinc/56/48/25/1173564825.db2.gz MSOLWHICOWSPCV-UHFFFAOYSA-N -1 1 291.258 1.563 20 0 CDADMM CN(CC(F)(F)F)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001591043975 1173564832 /nfs/dbraw/zinc/56/48/32/1173564832.db2.gz MSOLWHICOWSPCV-UHFFFAOYSA-N -1 1 291.258 1.563 20 0 CDADMM CO[C@H](CNc1ccnc(-c2nnn[n-]2)c1)CC(C)C ZINC001591328299 1173613681 /nfs/dbraw/zinc/61/36/81/1173613681.db2.gz AAYWXKNDWANLIR-NSHDSACASA-N -1 1 276.344 1.157 20 0 CDADMM CO[C@H](CNc1ccnc(-c2nn[n-]n2)c1)CC(C)C ZINC001591328299 1173613684 /nfs/dbraw/zinc/61/36/84/1173613684.db2.gz AAYWXKNDWANLIR-NSHDSACASA-N -1 1 276.344 1.157 20 0 CDADMM CO[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)o1)CC(C)C ZINC001591330768 1173614967 /nfs/dbraw/zinc/61/49/67/1173614967.db2.gz VSPWZBOUXRVFFR-SECBINFHSA-N -1 1 293.327 1.251 20 0 CDADMM CO[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)o1)CC(C)C ZINC001591330768 1173614971 /nfs/dbraw/zinc/61/49/71/1173614971.db2.gz VSPWZBOUXRVFFR-SECBINFHSA-N -1 1 293.327 1.251 20 0 CDADMM CO[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001591350265 1173621749 /nfs/dbraw/zinc/62/17/49/1173621749.db2.gz QSXQBTAQPIEYQA-VHSXEESVSA-N -1 1 287.327 1.026 20 0 CDADMM CO[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001591350265 1173621752 /nfs/dbraw/zinc/62/17/52/1173621752.db2.gz QSXQBTAQPIEYQA-VHSXEESVSA-N -1 1 287.327 1.026 20 0 CDADMM CO[C@H]1CC[C@H](OC(=O)c2cc(-c3nnn[n-]3)oc2C)C1 ZINC001591351111 1173623309 /nfs/dbraw/zinc/62/33/09/1173623309.db2.gz KDLXJHGMABAFHG-IUCAKERBSA-N -1 1 292.295 1.492 20 0 CDADMM CO[C@H]1CC[C@H](OC(=O)c2cc(-c3nn[n-]n3)oc2C)C1 ZINC001591351111 1173623312 /nfs/dbraw/zinc/62/33/12/1173623312.db2.gz KDLXJHGMABAFHG-IUCAKERBSA-N -1 1 292.295 1.492 20 0 CDADMM COC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001591382222 1173639599 /nfs/dbraw/zinc/63/95/99/1173639599.db2.gz FUWRIWLZSDOKAZ-GFCCVEGCSA-N -1 1 297.322 1.456 20 0 CDADMM COC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001591382222 1173639601 /nfs/dbraw/zinc/63/96/01/1173639601.db2.gz FUWRIWLZSDOKAZ-GFCCVEGCSA-N -1 1 297.322 1.456 20 0 CDADMM CON(CC(C)(C)C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591465195 1173655615 /nfs/dbraw/zinc/65/56/15/1173655615.db2.gz QVZQSSKHYIMBEZ-UHFFFAOYSA-N -1 1 295.368 1.978 20 0 CDADMM CON(CC(C)(C)C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591465195 1173655619 /nfs/dbraw/zinc/65/56/19/1173655619.db2.gz QVZQSSKHYIMBEZ-UHFFFAOYSA-N -1 1 295.368 1.978 20 0 CDADMM COc1cccc(CNc2cc(-c3nnn[n-]3)nc(C)n2)c1 ZINC001591639764 1173676994 /nfs/dbraw/zinc/67/69/94/1173676994.db2.gz PJBDYUUYFZTECM-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1cccc(CNc2cc(-c3nn[n-]n3)nc(C)n2)c1 ZINC001591639764 1173676998 /nfs/dbraw/zinc/67/69/98/1173676998.db2.gz PJBDYUUYFZTECM-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@]3(CC[C@H](C)C3)C2)n1 ZINC001591886923 1173737820 /nfs/dbraw/zinc/73/78/20/1173737820.db2.gz OTYVAKFZKQQAIC-BONVTDFDSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@]3(CC[C@H](C)C3)C2)n1 ZINC001591886923 1173737825 /nfs/dbraw/zinc/73/78/25/1173737825.db2.gz OTYVAKFZKQQAIC-BONVTDFDSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CSC2(C)C)n1 ZINC001591893632 1173740813 /nfs/dbraw/zinc/74/08/13/1173740813.db2.gz MCMWNHPHXWAQGT-MRVPVSSYSA-N -1 1 277.357 1.271 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)CC(F)F)n1 ZINC001591894108 1173741991 /nfs/dbraw/zinc/74/19/91/1173741991.db2.gz OJDJMKFOBKESGV-ZCFIWIBFSA-N -1 1 283.286 1.668 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)CC(F)F)n1 ZINC001591894108 1173741998 /nfs/dbraw/zinc/74/19/98/1173741998.db2.gz OJDJMKFOBKESGV-ZCFIWIBFSA-N -1 1 283.286 1.668 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2C[C@H]2CC(C)C)n1 ZINC001591902405 1173745114 /nfs/dbraw/zinc/74/51/14/1173745114.db2.gz YRPDZFJZRCNXJV-NXEZZACHSA-N -1 1 273.344 1.812 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2C[C@H]2CC(C)C)n1 ZINC001591902405 1173745121 /nfs/dbraw/zinc/74/51/21/1173745121.db2.gz YRPDZFJZRCNXJV-NXEZZACHSA-N -1 1 273.344 1.812 20 0 CDADMM Cc1cc(C)nc(NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001591957826 1173753084 /nfs/dbraw/zinc/75/30/84/1173753084.db2.gz LQNLVKUEJPKHDS-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Cc1cc(C)nc(NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001591957826 1173753089 /nfs/dbraw/zinc/75/30/89/1173753089.db2.gz LQNLVKUEJPKHDS-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Cc1cc(N[C@@H]2CCOC(C)(C)C2)nc(-c2nnn[n-]2)c1 ZINC001592040205 1173780665 /nfs/dbraw/zinc/78/06/65/1173780665.db2.gz JXSFOCDRUMUGSO-SNVBAGLBSA-N -1 1 288.355 1.940 20 0 CDADMM Cc1cc(N[C@@H]2CCOC(C)(C)C2)nc(-c2nn[n-]n2)c1 ZINC001592040205 1173780666 /nfs/dbraw/zinc/78/06/66/1173780666.db2.gz JXSFOCDRUMUGSO-SNVBAGLBSA-N -1 1 288.355 1.940 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)c(=NOCCOC(C)C)[nH]1 ZINC001592092312 1173797567 /nfs/dbraw/zinc/79/75/67/1173797567.db2.gz LCBYCOKJOJEWIY-UHFFFAOYSA-N -1 1 278.316 1.339 20 0 CDADMM Cc1ccc(N2CCC[C@H]2C[C@@H](C)O)nc1-c1nnn[n-]1 ZINC001592177196 1173822687 /nfs/dbraw/zinc/82/26/87/1173822687.db2.gz XBWYQUHBDRTDTI-MNOVXSKESA-N -1 1 288.355 1.310 20 0 CDADMM Cc1ccc(N2CCC[C@H]2C[C@@H](C)O)nc1-c1nn[n-]n1 ZINC001592177196 1173822692 /nfs/dbraw/zinc/82/26/92/1173822692.db2.gz XBWYQUHBDRTDTI-MNOVXSKESA-N -1 1 288.355 1.310 20 0 CDADMM Cc1ccc(NC[C@H](C)Cn2cccn2)nc1-c1nn[n-]n1 ZINC001592183141 1173825239 /nfs/dbraw/zinc/82/52/39/1173825239.db2.gz NQWSIOMGKDBDDE-JTQLQIEISA-N -1 1 298.354 1.515 20 0 CDADMM Cc1cccc(Cn2ccc(-c3nn[n-]n3)cc2=O)c1 ZINC001592232025 1173835740 /nfs/dbraw/zinc/83/57/40/1173835740.db2.gz HRRMQNXCLSJLHT-UHFFFAOYSA-N -1 1 267.292 1.385 20 0 CDADMM Cc1ccccc1C(=O)COc1cnc(-c2nn[n-]n2)nc1 ZINC001592247653 1173836048 /nfs/dbraw/zinc/83/60/48/1173836048.db2.gz NYORZVHFBSFPNQ-UHFFFAOYSA-N -1 1 296.290 1.227 20 0 CDADMM Cc1[nH]nc(NCc2cccc3nccn32)c1-c1nn[n-]n1 ZINC001592331247 1173857672 /nfs/dbraw/zinc/85/76/72/1173857672.db2.gz WNEFQPYSGDSSEN-UHFFFAOYSA-N -1 1 295.310 1.158 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@]3(CC[C@H](C)C3)C2)n1 ZINC001592338283 1173859105 /nfs/dbraw/zinc/85/91/05/1173859105.db2.gz XYSMKYRPUAXHHV-BONVTDFDSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@]3(CC[C@H](C)C3)C2)n1 ZINC001592338283 1173859110 /nfs/dbraw/zinc/85/91/10/1173859110.db2.gz XYSMKYRPUAXHHV-BONVTDFDSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@]3(CC[C@@H](C)C3)C2)n1 ZINC001592338284 1173859213 /nfs/dbraw/zinc/85/92/13/1173859213.db2.gz XYSMKYRPUAXHHV-MEBBXXQBSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@]3(CC[C@@H](C)C3)C2)n1 ZINC001592338284 1173859221 /nfs/dbraw/zinc/85/92/21/1173859221.db2.gz XYSMKYRPUAXHHV-MEBBXXQBSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1noc(C)c1CN(C)Cc1cccc(-c2nn[n-]n2)n1 ZINC001592458194 1173895814 /nfs/dbraw/zinc/89/58/14/1173895814.db2.gz LQHRKRRANUQJGY-UHFFFAOYSA-N -1 1 299.338 1.499 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@]12C[C@H]1CCC2 ZINC001592499734 1173904485 /nfs/dbraw/zinc/90/44/85/1173904485.db2.gz BPNINAJKZGQZQY-AMIZOPFISA-N -1 1 273.296 1.441 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@]12C[C@H]1CCC2 ZINC001592499734 1173904488 /nfs/dbraw/zinc/90/44/88/1173904488.db2.gz BPNINAJKZGQZQY-AMIZOPFISA-N -1 1 273.296 1.441 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC(C(C)C)C1 ZINC001592496460 1173904717 /nfs/dbraw/zinc/90/47/17/1173904717.db2.gz FHKJNLXZBKWEHX-UHFFFAOYSA-N -1 1 275.312 1.496 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC(C(C)C)C1 ZINC001592496460 1173904720 /nfs/dbraw/zinc/90/47/20/1173904720.db2.gz FHKJNLXZBKWEHX-UHFFFAOYSA-N -1 1 275.312 1.496 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CCOC1(C)C ZINC001592501142 1173907033 /nfs/dbraw/zinc/90/70/33/1173907033.db2.gz DETAOFNJHMEBRM-JTQLQIEISA-N -1 1 291.311 1.065 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CCOC1(C)C ZINC001592501142 1173907038 /nfs/dbraw/zinc/90/70/38/1173907038.db2.gz DETAOFNJHMEBRM-JTQLQIEISA-N -1 1 291.311 1.065 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@@H]1CCCOC1 ZINC001592504195 1173909039 /nfs/dbraw/zinc/90/90/39/1173909039.db2.gz YJWMQUILKOFXPI-SECBINFHSA-N -1 1 292.295 1.352 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@@H]1CCCOC1 ZINC001592504195 1173909044 /nfs/dbraw/zinc/90/90/44/1173909044.db2.gz YJWMQUILKOFXPI-SECBINFHSA-N -1 1 292.295 1.352 20 0 CDADMM Clc1nc(N[C@H]2CCOC2)sc1-c1nnn[n-]1 ZINC001592539799 1173914685 /nfs/dbraw/zinc/91/46/85/1173914685.db2.gz BQWGXUYJIKLULR-BYPYZUCNSA-N -1 1 272.721 1.177 20 0 CDADMM Clc1nc(N[C@H]2CCOC2)sc1-c1nn[n-]n1 ZINC001592539799 1173914688 /nfs/dbraw/zinc/91/46/88/1173914688.db2.gz BQWGXUYJIKLULR-BYPYZUCNSA-N -1 1 272.721 1.177 20 0 CDADMM Clc1cccnc1Cn1ccnc1-c1nnn[n-]1 ZINC001592536999 1173916817 /nfs/dbraw/zinc/91/68/17/1173916817.db2.gz YTARHBKNZJCEPQ-UHFFFAOYSA-N -1 1 261.676 1.160 20 0 CDADMM Clc1cccnc1Cn1ccnc1-c1nn[n-]n1 ZINC001592536999 1173916820 /nfs/dbraw/zinc/91/68/20/1173916820.db2.gz YTARHBKNZJCEPQ-UHFFFAOYSA-N -1 1 261.676 1.160 20 0 CDADMM FC(F)CC1CN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001592623486 1173929136 /nfs/dbraw/zinc/92/91/36/1173929136.db2.gz GWWINQLOSSZFLO-UHFFFAOYSA-N -1 1 266.255 1.353 20 0 CDADMM FC(F)CC1CN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001592623486 1173929141 /nfs/dbraw/zinc/92/91/41/1173929141.db2.gz GWWINQLOSSZFLO-UHFFFAOYSA-N -1 1 266.255 1.353 20 0 CDADMM FC(F)(F)c1ccccc1Cn1cc(-c2nn[n-]n2)nn1 ZINC001592621794 1173929603 /nfs/dbraw/zinc/92/96/03/1173929603.db2.gz YTQUHPANTHRWIO-UHFFFAOYSA-N -1 1 295.228 1.525 20 0 CDADMM FC(F)CCCNc1cncc(-c2nnn[n-]2)n1 ZINC001592625297 1173933995 /nfs/dbraw/zinc/93/39/95/1173933995.db2.gz RYOYNNXYILTUJP-UHFFFAOYSA-N -1 1 255.232 1.114 20 0 CDADMM FC(F)CCCNc1cncc(-c2nn[n-]n2)n1 ZINC001592625297 1173933998 /nfs/dbraw/zinc/93/39/98/1173933998.db2.gz RYOYNNXYILTUJP-UHFFFAOYSA-N -1 1 255.232 1.114 20 0 CDADMM Fc1ccc(OCCC[C@@H]2CCOC2)c(-c2nnn[n-]2)n1 ZINC001592651991 1173952014 /nfs/dbraw/zinc/95/20/14/1173952014.db2.gz KBJWGLFJWMDRNQ-SECBINFHSA-N -1 1 293.302 1.596 20 0 CDADMM Fc1ccc(OCCC[C@@H]2CCOC2)c(-c2nn[n-]n2)n1 ZINC001592651991 1173952022 /nfs/dbraw/zinc/95/20/22/1173952022.db2.gz KBJWGLFJWMDRNQ-SECBINFHSA-N -1 1 293.302 1.596 20 0 CDADMM Fc1cccc2c1CCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001592658252 1173958562 /nfs/dbraw/zinc/95/85/62/1173958562.db2.gz JVEHWFVVUXQCSC-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM Fc1cccc2c1CCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001592658252 1173958565 /nfs/dbraw/zinc/95/85/65/1173958565.db2.gz JVEHWFVVUXQCSC-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM O=C(NC[C@H]1Cc2ccccc21)c1coc(-c2nnn[n-]2)c1 ZINC001593048068 1174018847 /nfs/dbraw/zinc/01/88/47/1174018847.db2.gz XNYVIABYFVATHU-SNVBAGLBSA-N -1 1 295.302 1.529 20 0 CDADMM O=C(NC[C@H]1Cc2ccccc21)c1coc(-c2nn[n-]n2)c1 ZINC001593048068 1174018853 /nfs/dbraw/zinc/01/88/53/1174018853.db2.gz XNYVIABYFVATHU-SNVBAGLBSA-N -1 1 295.302 1.529 20 0 CDADMM O=C(NCCC1CCOCC1)c1coc(-c2nnn[n-]2)c1 ZINC001593065899 1174020287 /nfs/dbraw/zinc/02/02/87/1174020287.db2.gz RBGUWJRGXQOTCF-UHFFFAOYSA-N -1 1 291.311 1.006 20 0 CDADMM O=C(NCCC1CCOCC1)c1coc(-c2nn[n-]n2)c1 ZINC001593065899 1174020291 /nfs/dbraw/zinc/02/02/91/1174020291.db2.gz RBGUWJRGXQOTCF-UHFFFAOYSA-N -1 1 291.311 1.006 20 0 CDADMM O=C(Nc1cccc2c1CCO2)c1ccc(-c2nn[n-]n2)o1 ZINC001593250206 1174040240 /nfs/dbraw/zinc/04/02/40/1174040240.db2.gz UBDLOCLNTHNAOU-UHFFFAOYSA-N -1 1 297.274 1.647 20 0 CDADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1CCCF ZINC001593494602 1174086956 /nfs/dbraw/zinc/08/69/56/1174086956.db2.gz PBDKNXBNPLHIJW-UHFFFAOYSA-N -1 1 273.271 1.541 20 0 CDADMM OCCCSc1cccc(F)c1-c1nn[n-]n1 ZINC001593531534 1174107109 /nfs/dbraw/zinc/10/71/09/1174107109.db2.gz PCJPNBDNGZZKSG-UHFFFAOYSA-N -1 1 254.290 1.480 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CC[C@H]2[C@@H]2CCCOC2)c1 ZINC001593550000 1174121006 /nfs/dbraw/zinc/12/10/06/1174121006.db2.gz KJRFKTLLMHZCER-PWSUYJOCSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CC[C@H]2[C@@H]2CCCOC2)c1 ZINC001593550000 1174121008 /nfs/dbraw/zinc/12/10/08/1174121008.db2.gz KJRFKTLLMHZCER-PWSUYJOCSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC001593550506 1174121619 /nfs/dbraw/zinc/12/16/19/1174121619.db2.gz WTZJUYYBICXOAL-VXGBXAGGSA-N -1 1 286.339 1.410 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC001593550506 1174121624 /nfs/dbraw/zinc/12/16/24/1174121624.db2.gz WTZJUYYBICXOAL-VXGBXAGGSA-N -1 1 286.339 1.410 20 0 CDADMM c1cc(CNc2cc(C3CC3)ncn2)cc(-c2nnn[n-]2)n1 ZINC001593553484 1174126986 /nfs/dbraw/zinc/12/69/86/1174126986.db2.gz FNUZKQRKYYIISH-UHFFFAOYSA-N -1 1 294.322 1.541 20 0 CDADMM c1cc(CNc2cc(C3CC3)ncn2)cc(-c2nn[n-]n2)n1 ZINC001593553484 1174126989 /nfs/dbraw/zinc/12/69/89/1174126989.db2.gz FNUZKQRKYYIISH-UHFFFAOYSA-N -1 1 294.322 1.541 20 0 CDADMM c1cc([C@H]2CCCCN2c2ccnc(-c3nnn[n-]3)c2)n[nH]1 ZINC001593559487 1174136132 /nfs/dbraw/zinc/13/61/32/1174136132.db2.gz VKUDKBYZESNBJQ-CYBMUJFWSA-N -1 1 296.338 1.716 20 0 CDADMM c1cc([C@H]2CCCCN2c2ccnc(-c3nn[n-]n3)c2)n[nH]1 ZINC001593559487 1174136136 /nfs/dbraw/zinc/13/61/36/1174136136.db2.gz VKUDKBYZESNBJQ-CYBMUJFWSA-N -1 1 296.338 1.716 20 0 CDADMM c1ccc(C2(CNc3ccc(-c4nnn[n-]4)nn3)CC2)nc1 ZINC001593570789 1174142788 /nfs/dbraw/zinc/14/27/88/1174142788.db2.gz JGSGRAQJOJVLEU-UHFFFAOYSA-N -1 1 294.322 1.195 20 0 CDADMM c1ccc(C2(CNc3ccc(-c4nn[n-]n4)nn3)CC2)nc1 ZINC001593570789 1174142796 /nfs/dbraw/zinc/14/27/96/1174142796.db2.gz JGSGRAQJOJVLEU-UHFFFAOYSA-N -1 1 294.322 1.195 20 0 CDADMM c1ccc(-c2nnn(CC3CC3)c2-c2nn[n-]n2)cc1 ZINC001593568476 1174143487 /nfs/dbraw/zinc/14/34/87/1174143487.db2.gz ZRUXDFYDFYRCNK-UHFFFAOYSA-N -1 1 267.296 1.535 20 0 CDADMM c1c(-c2nn[n-]n2)nnn1C[C@@H]1CCc2ccccc2C1 ZINC001593580183 1174147304 /nfs/dbraw/zinc/14/73/04/1174147304.db2.gz AAVPSTKWKLAMNU-SNVBAGLBSA-N -1 1 281.323 1.263 20 0 CDADMM c1cn(C[C@H]2CC3CCC2CC3)c(-c2nnn[n-]2)n1 ZINC001593582299 1174147730 /nfs/dbraw/zinc/14/77/30/1174147730.db2.gz LVKVAEMGXXIJOD-VQXHTEKXSA-N -1 1 258.329 1.890 20 0 CDADMM c1cn(C[C@H]2CC3CCC2CC3)c(-c2nn[n-]n2)n1 ZINC001593582299 1174147734 /nfs/dbraw/zinc/14/77/34/1174147734.db2.gz LVKVAEMGXXIJOD-VQXHTEKXSA-N -1 1 258.329 1.890 20 0 CDADMM c1ccc2c(c1)N(c1cncc(-c3nnn[n-]3)n1)CC21CC1 ZINC001593580565 1174148618 /nfs/dbraw/zinc/14/86/18/1174148618.db2.gz ZIHQIUFXHFCYCT-UHFFFAOYSA-N -1 1 291.318 1.840 20 0 CDADMM c1ccc2c(c1)N(c1cncc(-c3nn[n-]n3)n1)CC21CC1 ZINC001593580565 1174148624 /nfs/dbraw/zinc/14/86/24/1174148624.db2.gz ZIHQIUFXHFCYCT-UHFFFAOYSA-N -1 1 291.318 1.840 20 0 CDADMM c1sc(CN[C@@H]2CCc3cccnc32)nc1-c1nnn[n-]1 ZINC001593587341 1174152084 /nfs/dbraw/zinc/15/20/84/1174152084.db2.gz HRTOVPBJDBRCKI-SECBINFHSA-N -1 1 299.363 1.495 20 0 CDADMM c1sc(CN[C@@H]2CCc3cccnc32)nc1-c1nn[n-]n1 ZINC001593587341 1174152087 /nfs/dbraw/zinc/15/20/87/1174152087.db2.gz HRTOVPBJDBRCKI-SECBINFHSA-N -1 1 299.363 1.495 20 0 CDADMM c1cncc(CCNc2cccnc2-c2nnn[n-]2)c1 ZINC001593588431 1174155331 /nfs/dbraw/zinc/15/53/31/1174155331.db2.gz YVPMDKBSVAQLCK-UHFFFAOYSA-N -1 1 267.296 1.311 20 0 CDADMM c1cncc(CCNc2cccnc2-c2nn[n-]n2)c1 ZINC001593588431 1174155333 /nfs/dbraw/zinc/15/53/33/1174155333.db2.gz YVPMDKBSVAQLCK-UHFFFAOYSA-N -1 1 267.296 1.311 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(N[C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC001593594625 1174162078 /nfs/dbraw/zinc/16/20/78/1174162078.db2.gz DGYWUFDGEDFVSA-WEDXCCLWSA-N -1 1 257.301 1.257 20 0 CDADMM Cc1c(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])ccc2cncn21 ZINC001599977274 1174330256 /nfs/dbraw/zinc/33/02/56/1174330256.db2.gz XUWZVGLHOKXHOJ-BZNIZROVSA-N -1 1 299.330 1.722 20 0 CDADMM Cc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)n[nH]1 ZINC001600182555 1174389878 /nfs/dbraw/zinc/38/98/78/1174389878.db2.gz KGTUJGWLHPRGJO-LOWVWBTDSA-N -1 1 291.351 1.883 20 0 CDADMM Cc1cc(CN2CCc3ccc(C(=O)[O-])cc3C2)n[nH]1 ZINC001600196314 1174401938 /nfs/dbraw/zinc/40/19/38/1174401938.db2.gz ODLUCRJKHWNZPO-UHFFFAOYSA-N -1 1 271.320 1.975 20 0 CDADMM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)[C@@H](C)N(C)C ZINC001600344874 1174450052 /nfs/dbraw/zinc/45/00/52/1174450052.db2.gz UKMRYSWTRVPHDI-MRVPVSSYSA-N -1 1 266.297 1.287 20 0 CDADMM Cc1ccc(CN2CCC[C@H]2C(N)=O)cc1C(=O)[O-] ZINC001600414133 1174468849 /nfs/dbraw/zinc/46/88/49/1174468849.db2.gz XJDVBNRHGQBBIW-LBPRGKRZSA-N -1 1 262.309 1.143 20 0 CDADMM Cc1ccccc1[C@@H](Sc1nc(N)cc(N)n1)C(=O)[O-] ZINC001600574344 1174511008 /nfs/dbraw/zinc/51/10/08/1174511008.db2.gz RVNILCMVGIAYJW-LLVKDONJSA-N -1 1 290.348 1.867 20 0 CDADMM Cn1c(CN2CCC3(CC2)OCCO3)ccc1C(=O)[O-] ZINC001600913888 1174661591 /nfs/dbraw/zinc/66/15/91/1174661591.db2.gz UEMXMLLPKCZTHH-UHFFFAOYSA-N -1 1 280.324 1.062 20 0 CDADMM Cn1cc(CN2CC[C@](C(=O)[O-])(c3ccccc3)C2)nn1 ZINC001600951260 1174675149 /nfs/dbraw/zinc/67/51/49/1174675149.db2.gz CLGOFOMZIYJGBL-OAHLLOKOSA-N -1 1 286.335 1.043 20 0 CDADMM NC(=O)c1ccc(CNCc2cc(C(=O)[O-])co2)cc1 ZINC001601165420 1174768011 /nfs/dbraw/zinc/76/80/11/1174768011.db2.gz KMQGIMHMZDBLGO-UHFFFAOYSA-N -1 1 274.276 1.367 20 0 CDADMM O=C([O-])[C@@H](c1ccccc1)N1CCN2C(=O)OCC[C@H]2C1 ZINC001601696621 1174948500 /nfs/dbraw/zinc/94/85/00/1174948500.db2.gz SIGIPABJPJUABR-QWHCGFSZSA-N -1 1 290.319 1.339 20 0 CDADMM O=C([O-])C=Cc1ccc(C(=O)NCc2cnc[nH]2)o1 ZINC001601877469 1175047451 /nfs/dbraw/zinc/04/74/51/1175047451.db2.gz YAMGTEIMJKKCRU-RQOWECAXSA-N -1 1 261.237 1.031 20 0 CDADMM O=C([O-])/C=C\c1ccc(OCCN2CC=C[C@@H]2CO)cc1 ZINC001601883388 1175050359 /nfs/dbraw/zinc/05/03/59/1175050359.db2.gz MJIYWUBGVKYLFI-BMWLXYDHSA-N -1 1 289.331 1.396 20 0 CDADMM O=C([O-])CC1(NCc2nc3ccccc3c(=O)[nH]2)CCC1 ZINC001601937541 1175074302 /nfs/dbraw/zinc/07/43/02/1175074302.db2.gz STMXHIHZNQIOKM-UHFFFAOYSA-N -1 1 287.319 1.822 20 0 CDADMM O=C([O-])Cc1cccc(-c2nc([C@@H]3CCCN3)no2)c1 ZINC001602133254 1175137632 /nfs/dbraw/zinc/13/76/32/1175137632.db2.gz WFDKLJAIUFWGHT-NSHDSACASA-N -1 1 273.292 1.788 20 0 CDADMM O=C([O-])Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001602146521 1175141543 /nfs/dbraw/zinc/14/15/43/1175141543.db2.gz QNOXELRKMGLRDP-CHWSQXEVSA-N -1 1 299.330 1.457 20 0 CDADMM O=C([O-])[C@]12CCC[C@H]1C[N@@H+](Cn1ccsc1=O)C2 ZINC001602221874 1175174021 /nfs/dbraw/zinc/17/40/21/1175174021.db2.gz SOHKZLFVCGHYIN-CABZTGNLSA-N -1 1 268.338 1.054 20 0 CDADMM O=C([O-])[C@]12CCC[C@H]1CN(Cn1ccsc1=O)C2 ZINC001602221874 1175174026 /nfs/dbraw/zinc/17/40/26/1175174026.db2.gz SOHKZLFVCGHYIN-CABZTGNLSA-N -1 1 268.338 1.054 20 0 CDADMM O=C([O-])C1(C(=O)COC(=O)c2cccc3[nH]ncc32)CC1 ZINC001602610658 1175320956 /nfs/dbraw/zinc/32/09/56/1175320956.db2.gz GCZSNXAXZCPFQP-UHFFFAOYSA-N -1 1 288.259 1.154 20 0 CDADMM 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CC[C@@H](O)CCCNC(=O)c1ccc([O-])c(F)c1 ZINC000681052923 482672298 /nfs/dbraw/zinc/67/22/98/482672298.db2.gz YYUOLTYPPVFPSQ-SNVBAGLBSA-N -1 1 255.289 1.812 20 0 CDADMM C[C@H](CO[C@H]1CCOC1)NC(=O)c1ccc([O-])c(F)c1 ZINC000681054310 482673432 /nfs/dbraw/zinc/67/34/32/482673432.db2.gz MJVSCBJMNMBIJF-KOLCDFICSA-N -1 1 283.299 1.455 20 0 CDADMM O=C(N[C@H](CO)Cc1ccccc1)c1ccc([O-])c(F)c1 ZINC000681057807 482676580 /nfs/dbraw/zinc/67/65/80/482676580.db2.gz DMLUMWZFWGWHQC-ZDUSSCGKSA-N -1 1 289.306 1.865 20 0 CDADMM O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1ccc([O-])c(F)c1 ZINC000681058490 482676620 /nfs/dbraw/zinc/67/66/20/482676620.db2.gz NZBNLCKEIXIAKK-GJZGRUSLSA-N -1 1 287.290 1.919 20 0 CDADMM CC[C@@H]1CN(C(=O)c2ccc([O-])c(F)c2)C[C@H]1O ZINC000681060016 482677904 /nfs/dbraw/zinc/67/79/04/482677904.db2.gz QVOJHAJQXZFZAQ-PRHODGIISA-N -1 1 253.273 1.374 20 0 CDADMM Cc1nnc([C@@H](C)NC(=O)c2c([O-])cccc2F)o1 ZINC000681308959 482803095 /nfs/dbraw/zinc/80/30/95/482803095.db2.gz BTSZDLXISNXGCC-ZCFIWIBFSA-N -1 1 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Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccccc2C=O)n1 ZINC000751063220 577025383 /nfs/dbraw/zinc/02/53/83/577025383.db2.gz JOUXKFASYGDJDO-QMMMGPOBSA-N -1 1 295.320 1.230 20 0 CDADMM O=C(COC(=O)[C@@H]1C[C@H]1C1CC1)[N-]C(=O)c1ccccc1 ZINC000751741305 577062805 /nfs/dbraw/zinc/06/28/05/577062805.db2.gz WHSDHVOJDJVQDE-QWHCGFSZSA-N -1 1 287.315 1.532 20 0 CDADMM O=C([O-])CCNC(=O)C[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC001602022453 1175112766 /nfs/dbraw/zinc/11/27/66/1175112766.db2.gz WJVZIVPTHPUWGF-CQSZACIVSA-N -1 1 296.411 1.870 20 0 CDADMM O=C([O-])[C@@H](F)CNC[C@H](O)c1ccc(F)cc1F ZINC001602170011 1175149426 /nfs/dbraw/zinc/14/94/26/1175149426.db2.gz OJCSKEICGJSNTD-UWVGGRQHSA-N -1 1 263.215 1.011 20 0 CDADMM O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)c1cnc(C2CC2)[nH]1 ZINC001602172178 1175150661 /nfs/dbraw/zinc/15/06/61/1175150661.db2.gz PNUBBUPIYBXMGY-QMMMGPOBSA-N -1 1 285.250 1.222 20 0 CDADMM CC(C)[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCS1 ZINC000095149187 599096456 /nfs/dbraw/zinc/09/64/56/599096456.db2.gz 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C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)N(C)C ZINC000832803760 601136571 /nfs/dbraw/zinc/13/65/71/601136571.db2.gz TXRZKHXAPAFYAR-JOYOIKCWSA-N -1 1 282.315 1.408 20 0 CDADMM Cc1cnc(N2CCN(CCC(=O)[O-])CC2)s1 ZINC000262662149 601380751 /nfs/dbraw/zinc/38/07/51/601380751.db2.gz OCMCSIKVTJOKSF-UHFFFAOYSA-N -1 1 255.343 1.048 20 0 CDADMM Cc1ncsc1CCN1CC[C@](F)(C(=O)[O-])C1 ZINC000833009923 601446910 /nfs/dbraw/zinc/44/69/10/601446910.db2.gz FZRKIPOATDBIEM-LLVKDONJSA-N -1 1 258.318 1.493 20 0 CDADMM C[C@@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)N(C)C ZINC000832799480 601448135 /nfs/dbraw/zinc/44/81/35/601448135.db2.gz SYKMJLGTAFRJBW-JTQLQIEISA-N -1 1 264.325 1.293 20 0 CDADMM C[C@@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])N(C)C ZINC000832803644 601475194 /nfs/dbraw/zinc/47/51/94/601475194.db2.gz QWKSUMJYRUCTKD-GWCFXTLKSA-N -1 1 276.336 1.147 20 0 CDADMM CC(C)n1ccnc1CN1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000692877498 601503959 /nfs/dbraw/zinc/50/39/59/601503959.db2.gz ZXNMHHGVCKIDGJ-WDEREUQCSA-N -1 1 251.330 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C[C@H]1CCCC[C@H]1NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C ZINC000828252134 602224483 /nfs/dbraw/zinc/22/44/83/602224483.db2.gz PUTKDSHRZPYOJI-DMDPSCGWSA-N -1 1 284.400 1.770 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])n1 ZINC000832899247 602310815 /nfs/dbraw/zinc/31/08/15/602310815.db2.gz LTUFCBYKPPEWHS-UTUOFQBUSA-N -1 1 291.351 1.708 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])n1 ZINC000832899247 602310819 /nfs/dbraw/zinc/31/08/19/602310819.db2.gz LTUFCBYKPPEWHS-UTUOFQBUSA-N -1 1 291.351 1.708 20 0 CDADMM O=S(=O)([N-][C@H]1C=CCC1)c1nc[nH]c1Br ZINC000867505863 617184028 /nfs/dbraw/zinc/18/40/28/617184028.db2.gz HLGGYFXDSUXYJC-LURJTMIESA-N -1 1 292.158 1.169 20 0 CDADMM COc1cc(OC)c(CN(C)CC(=O)[O-])c(OC)c1 ZINC000086725845 604538439 /nfs/dbraw/zinc/53/84/39/604538439.db2.gz MFWUTLSGMAOTTP-UHFFFAOYSA-N -1 1 269.297 1.229 20 0 CDADMM O=C([O-])c1cc(CN2CCS[C@H]3COCC[C@@H]32)c[nH]1 ZINC000833779101 604758273 /nfs/dbraw/zinc/75/82/73/604758273.db2.gz IPKCYYIDWVUQEA-RYUDHWBXSA-N -1 1 282.365 1.419 20 0 CDADMM CC(C)(C)OC(=O)[C@H]1CCCCN1CCC(=O)[O-] ZINC000137380268 604775502 /nfs/dbraw/zinc/77/55/02/604775502.db2.gz PRWBXJQQJGMNQI-SNVBAGLBSA-N -1 1 257.330 1.657 20 0 CDADMM Cc1nc(NC(=O)[C@H](C(C)C)N(C)C)sc1C(=O)[O-] ZINC000833001977 604924629 /nfs/dbraw/zinc/92/46/29/604924629.db2.gz GRPHGXOCXYGTOC-QMMMGPOBSA-N -1 1 285.369 1.674 20 0 CDADMM CN(Cc1ccc(C(=O)[O-])[nH]1)C[C@H]1CCCCO1 ZINC000833696223 605105620 /nfs/dbraw/zinc/10/56/20/605105620.db2.gz IIQLJVBNJOPPBN-LLVKDONJSA-N -1 1 252.314 1.714 20 0 CDADMM CC(C)COC(=O)CN(CCC(=O)[O-])C1CCOCC1 ZINC000833487965 605190006 /nfs/dbraw/zinc/19/00/06/605190006.db2.gz CMCHVQUTTKUNKO-UHFFFAOYSA-N -1 1 287.356 1.141 20 0 CDADMM CC(C)(C)[C@@H]1CCN(Cn2cnc(C(=O)[O-])n2)C1 ZINC000833426848 605349855 /nfs/dbraw/zinc/34/98/55/605349855.db2.gz WGYVUJPWPUCIQJ-SECBINFHSA-N -1 1 252.318 1.302 20 0 CDADMM C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000833620789 605530410 /nfs/dbraw/zinc/53/04/10/605530410.db2.gz HJEYYXYCPSOGIU-WDEREUQCSA-N -1 1 291.351 1.941 20 0 CDADMM O=C([O-])NCC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000833777220 605540851 /nfs/dbraw/zinc/54/08/51/605540851.db2.gz IEVIPFNJUJLPIQ-UHFFFAOYSA-N -1 1 284.222 1.707 20 0 CDADMM C[C@@H](O)[C@H]1CCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000833529048 605698184 /nfs/dbraw/zinc/69/81/84/605698184.db2.gz QVXDEUVSNYPRNF-PWSUYJOCSA-N -1 1 292.335 1.026 20 0 CDADMM CC(C)CN(CCC(=O)[O-])C(=O)c1cccc2nn[nH]c21 ZINC000833486955 605776670 /nfs/dbraw/zinc/77/66/70/605776670.db2.gz WPXTWQJOKFVONP-UHFFFAOYSA-N -1 1 290.323 1.531 20 0 CDADMM O=C(OCC[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)s1 ZINC000823400267 606180968 /nfs/dbraw/zinc/18/09/68/606180968.db2.gz AJHKLDISAXJAGN-QMMMGPOBSA-N -1 1 294.336 1.654 20 0 CDADMM O=C(OCC[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)s1 ZINC000823400267 606180969 /nfs/dbraw/zinc/18/09/69/606180969.db2.gz AJHKLDISAXJAGN-QMMMGPOBSA-N -1 1 294.336 1.654 20 0 CDADMM CC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)CCO1 ZINC000820988879 606522671 /nfs/dbraw/zinc/52/26/71/606522671.db2.gz IPRXPROWVJHTAE-MRVPVSSYSA-N -1 1 293.352 1.179 20 0 CDADMM CC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000820988879 606522672 /nfs/dbraw/zinc/52/26/72/606522672.db2.gz IPRXPROWVJHTAE-MRVPVSSYSA-N -1 1 293.352 1.179 20 0 CDADMM Cc1occc1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822552533 606531400 /nfs/dbraw/zinc/53/14/00/606531400.db2.gz CAYLLAFOYULKQP-UHFFFAOYSA-N -1 1 289.320 1.760 20 0 CDADMM Cc1occc1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822552533 606531402 /nfs/dbraw/zinc/53/14/02/606531402.db2.gz CAYLLAFOYULKQP-UHFFFAOYSA-N -1 1 289.320 1.760 20 0 CDADMM CO[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)C(C)C ZINC000821677298 606581332 /nfs/dbraw/zinc/58/13/32/606581332.db2.gz TUJGXVCHEWGRQD-QMMMGPOBSA-N -1 1 295.368 1.329 20 0 CDADMM CO[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)C(C)C ZINC000821677298 606581333 /nfs/dbraw/zinc/58/13/33/606581333.db2.gz TUJGXVCHEWGRQD-QMMMGPOBSA-N -1 1 295.368 1.329 20 0 CDADMM FC(F)(F)COCCCn1ccnc1-c1nnn[n-]1 ZINC000822718171 606654904 /nfs/dbraw/zinc/65/49/04/606654904.db2.gz BGXYYKZTHRMEPV-UHFFFAOYSA-N -1 1 276.222 1.032 20 0 CDADMM FC(F)(F)COCCCn1ccnc1-c1nn[n-]n1 ZINC000822718171 606654905 /nfs/dbraw/zinc/65/49/05/606654905.db2.gz BGXYYKZTHRMEPV-UHFFFAOYSA-N -1 1 276.222 1.032 20 0 CDADMM CC[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000820957322 606949107 /nfs/dbraw/zinc/94/91/07/606949107.db2.gz NCHWFWOLWMUXIX-GFCCVEGCSA-N -1 1 259.317 1.283 20 0 CDADMM CC[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000820957322 606949109 /nfs/dbraw/zinc/94/91/09/606949109.db2.gz NCHWFWOLWMUXIX-GFCCVEGCSA-N -1 1 259.317 1.283 20 0 CDADMM Cc1nnc(COc2cccc(F)c2-c2nnn[n-]2)o1 ZINC000826336150 607865437 /nfs/dbraw/zinc/86/54/37/607865437.db2.gz OZGGBKKJWJVMGA-UHFFFAOYSA-N -1 1 276.231 1.276 20 0 CDADMM Cc1nnc(COc2cccc(F)c2-c2nn[n-]n2)o1 ZINC000826336150 607865438 /nfs/dbraw/zinc/86/54/38/607865438.db2.gz OZGGBKKJWJVMGA-UHFFFAOYSA-N -1 1 276.231 1.276 20 0 CDADMM CNc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cn1 ZINC000826090661 607896265 /nfs/dbraw/zinc/89/62/65/607896265.db2.gz KVLQNVVWTGZADG-UHFFFAOYSA-N -1 1 268.284 1.442 20 0 CDADMM O[C@H]1Cc2ccccc2[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000826507325 607896698 /nfs/dbraw/zinc/89/66/98/607896698.db2.gz MQZMJCHNBDBIHO-JSGCOSHPSA-N -1 1 294.318 1.332 20 0 CDADMM O[C@H]1Cc2ccccc2[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000826507325 607896699 /nfs/dbraw/zinc/89/66/99/607896699.db2.gz MQZMJCHNBDBIHO-JSGCOSHPSA-N -1 1 294.318 1.332 20 0 CDADMM C[C@@H]1OCC[C@@H]1Sc1cccc(-c2nnn[n-]2)n1 ZINC000825021456 607903049 /nfs/dbraw/zinc/90/30/49/607903049.db2.gz QTWGHWPNFIMAAL-CBAPKCEASA-N -1 1 263.326 1.531 20 0 CDADMM C[C@@H]1OCC[C@@H]1Sc1cccc(-c2nn[n-]n2)n1 ZINC000825021456 607903050 /nfs/dbraw/zinc/90/30/50/607903050.db2.gz QTWGHWPNFIMAAL-CBAPKCEASA-N -1 1 263.326 1.531 20 0 CDADMM CC(C)[C@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000824206794 608184843 /nfs/dbraw/zinc/18/48/43/608184843.db2.gz IZOARCPEJZKJNO-RXMQYKEDSA-N -1 1 288.764 1.405 20 0 CDADMM CC(C)[C@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000824206794 608184844 /nfs/dbraw/zinc/18/48/44/608184844.db2.gz IZOARCPEJZKJNO-RXMQYKEDSA-N -1 1 288.764 1.405 20 0 CDADMM CC(C)[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CCO1 ZINC000824217050 608242832 /nfs/dbraw/zinc/24/28/32/608242832.db2.gz XOIVNRVWAHLBRY-UWVGGRQHSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CCO1 ZINC000824217050 608242834 /nfs/dbraw/zinc/24/28/34/608242834.db2.gz XOIVNRVWAHLBRY-UWVGGRQHSA-N -1 1 289.343 1.272 20 0 CDADMM CC[C@@H](CSC)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000825128654 608297391 /nfs/dbraw/zinc/29/73/91/608297391.db2.gz XIBKTJGMORINJY-VIFPVBQESA-N -1 1 278.385 1.840 20 0 CDADMM CC[C@@H](CSC)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000825128654 608297392 /nfs/dbraw/zinc/29/73/92/608297392.db2.gz XIBKTJGMORINJY-VIFPVBQESA-N -1 1 278.385 1.840 20 0 CDADMM c1ccc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)nc1 ZINC000826520304 608404575 /nfs/dbraw/zinc/40/45/75/608404575.db2.gz FSUSFYQFPKIXQT-GFCCVEGCSA-N -1 1 294.322 1.393 20 0 CDADMM c1ccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)nc1 ZINC000826520304 608404576 /nfs/dbraw/zinc/40/45/76/608404576.db2.gz FSUSFYQFPKIXQT-GFCCVEGCSA-N -1 1 294.322 1.393 20 0 CDADMM CSC(C)(C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826225254 608426682 /nfs/dbraw/zinc/42/66/82/608426682.db2.gz XCSALPDTBJZKIK-UHFFFAOYSA-N -1 1 265.346 1.210 20 0 CDADMM CCOCc1cccc(Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000825605288 608409923 /nfs/dbraw/zinc/40/99/23/608409923.db2.gz ULDNRXVAAPZWAM-UHFFFAOYSA-N -1 1 297.322 1.937 20 0 CDADMM CCOCc1cccc(Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000825605288 608409926 /nfs/dbraw/zinc/40/99/26/608409926.db2.gz ULDNRXVAAPZWAM-UHFFFAOYSA-N -1 1 297.322 1.937 20 0 CDADMM CCCCCSc1nccnc1-c1nn[n-]n1 ZINC000825275895 608412604 /nfs/dbraw/zinc/41/26/04/608412604.db2.gz GOIBSSFPOWAJJK-UHFFFAOYSA-N -1 1 250.331 1.939 20 0 CDADMM CSC(C)(C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826225254 608426681 /nfs/dbraw/zinc/42/66/81/608426681.db2.gz XCSALPDTBJZKIK-UHFFFAOYSA-N -1 1 265.346 1.210 20 0 CDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)c1ccncc1 ZINC000824429435 608428219 /nfs/dbraw/zinc/42/82/19/608428219.db2.gz WVSXKEUZOMUWHR-SECBINFHSA-N -1 1 282.311 1.267 20 0 CDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)c1ccncc1 ZINC000824429435 608428220 /nfs/dbraw/zinc/42/82/20/608428220.db2.gz WVSXKEUZOMUWHR-SECBINFHSA-N -1 1 282.311 1.267 20 0 CDADMM CCS[C@@H]1CCC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825668136 608429277 /nfs/dbraw/zinc/42/92/77/608429277.db2.gz BMDQNHQGZQHHFL-WCBMZHEXSA-N -1 1 291.384 1.743 20 0 CDADMM CCS[C@@H]1CCC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825668136 608429278 /nfs/dbraw/zinc/42/92/78/608429278.db2.gz BMDQNHQGZQHHFL-WCBMZHEXSA-N -1 1 291.384 1.743 20 0 CDADMM Cc1c(Nc2ccc(-c3nnn[n-]3)nn2)cccc1N(C)C ZINC000826242923 608588282 /nfs/dbraw/zinc/58/82/82/608588282.db2.gz MFPZVOUYQJNLTJ-UHFFFAOYSA-N -1 1 296.338 1.775 20 0 CDADMM Cc1c(Nc2ccc(-c3nn[n-]n3)nn2)cccc1N(C)C ZINC000826242923 608588284 /nfs/dbraw/zinc/58/82/84/608588284.db2.gz MFPZVOUYQJNLTJ-UHFFFAOYSA-N -1 1 296.338 1.775 20 0 CDADMM O=C(Cn1ccnc1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000826424911 608888732 /nfs/dbraw/zinc/88/87/32/608888732.db2.gz ICHSXYMMYGLSQF-UHFFFAOYSA-N -1 1 294.727 1.661 20 0 CDADMM O=C(Cn1ccnc1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000826424911 608888735 /nfs/dbraw/zinc/88/87/35/608888735.db2.gz ICHSXYMMYGLSQF-UHFFFAOYSA-N -1 1 294.727 1.661 20 0 CDADMM O=C(c1ncc2ccccc2c1[O-])N1CC[C@H](O)[C@@H](F)C1 ZINC000890682648 617267692 /nfs/dbraw/zinc/26/76/92/617267692.db2.gz AOCXIZCQTBUWSP-RYUDHWBXSA-N -1 1 290.294 1.485 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2ccc(F)c([C@H](C)O)c2)c1[O-] ZINC000804797184 617333546 /nfs/dbraw/zinc/33/35/46/617333546.db2.gz LKJRNWWJIIYQGA-ZETCQYMHSA-N -1 1 279.271 1.868 20 0 CDADMM O=C(N[C@H]1COC[C@@H]1C1CC1)c1c(F)ccc([O-])c1F ZINC000891047940 617356412 /nfs/dbraw/zinc/35/64/12/617356412.db2.gz UHDBYXDEGIIIRT-SCZZXKLOSA-N -1 1 283.274 1.825 20 0 CDADMM CCc1cc(C(=O)N=S2(=O)CCOCC2)ccc1[O-] ZINC000891369400 617369188 /nfs/dbraw/zinc/36/91/88/617369188.db2.gz SHYSXXDMCHRQJV-UHFFFAOYSA-N -1 1 283.349 1.593 20 0 CDADMM COC(=O)c1ccc(C(=O)OCc2cnc(Cl)n2C)[n-]1 ZINC000893128203 617399126 /nfs/dbraw/zinc/39/91/26/617399126.db2.gz VXOZSLHJCQARES-UHFFFAOYSA-N -1 1 297.698 1.545 20 0 CDADMM COCc1nc(NCC[C@@H]2CCO[C@@H](C)C2)cc(=O)[n-]1 ZINC000893138141 617403080 /nfs/dbraw/zinc/40/30/80/617403080.db2.gz GGQCPZMQIRTDCW-WDEREUQCSA-N -1 1 281.356 1.946 20 0 CDADMM CC(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])CC1(C)C ZINC000966914598 614006409 /nfs/dbraw/zinc/00/64/09/614006409.db2.gz OJDINXOLWRUENM-GFCCVEGCSA-N -1 1 291.351 1.164 20 0 CDADMM Cc1cc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)n(C)n1 ZINC000891624870 617510702 /nfs/dbraw/zinc/51/07/02/617510702.db2.gz SZLCNWRUBSLLAR-UHFFFAOYSA-N -1 1 287.323 1.355 20 0 CDADMM Cn1cncc1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891618299 617506879 /nfs/dbraw/zinc/50/68/79/617506879.db2.gz OTSLZQSJPACBPB-UHFFFAOYSA-N -1 1 273.296 1.047 20 0 CDADMM COCc1nc(N(C)CC2(O)CCCCCC2)cc(=O)[n-]1 ZINC000893274196 617509184 /nfs/dbraw/zinc/50/91/84/617509184.db2.gz NALGEOLUXQZZOL-UHFFFAOYSA-N -1 1 295.383 1.850 20 0 CDADMM CC[C@@H](C)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000940126071 615419126 /nfs/dbraw/zinc/41/91/26/615419126.db2.gz SPZMLTHOSWLADD-GHMZBOCLSA-N -1 1 291.351 1.164 20 0 CDADMM O=S(=O)([N-]C[C@H]1CCCS1)c1ccc(F)nc1F ZINC000866949082 620745355 /nfs/dbraw/zinc/74/53/55/620745355.db2.gz PBHCHBDDRRFEOW-SSDOTTSWSA-N -1 1 294.348 1.534 20 0 CDADMM COC(=O)c1cc(C)c(C(=O)[N-]c2ncn(C(C)C)n2)o1 ZINC000892363416 618032947 /nfs/dbraw/zinc/03/29/47/618032947.db2.gz RHARGINLIUETBL-UHFFFAOYSA-N -1 1 292.295 1.799 20 0 CDADMM Cc1cc([C@@H](NCc2cnnn2C)C(=O)[O-])ccc1F ZINC000901842639 618294104 /nfs/dbraw/zinc/29/41/04/618294104.db2.gz LIKWDHKHJCHITF-GFCCVEGCSA-N -1 1 278.287 1.178 20 0 CDADMM CCN(C)[C@H](C(=O)NC[C@@H]1C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000910605516 618343985 /nfs/dbraw/zinc/34/39/85/618343985.db2.gz GCFIROIILQTULS-IHRRRGAJSA-N -1 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C[C@H](NCc1cncn1C)c1cncc(C(=O)[O-])c1 ZINC001604349049 1163161302 /nfs/dbraw/zinc/16/13/02/1163161302.db2.gz QJAIYKKFZPVDRM-VIFPVBQESA-N -1 1 260.297 1.364 20 0 CDADMM CCOc1ccccc1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001604465113 1163192483 /nfs/dbraw/zinc/19/24/83/1163192483.db2.gz BBSCTBKHWYMMAE-UHFFFAOYSA-N -1 1 297.322 1.668 20 0 CDADMM CCOc1ccccc1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001604465113 1163192485 /nfs/dbraw/zinc/19/24/85/1163192485.db2.gz BBSCTBKHWYMMAE-UHFFFAOYSA-N -1 1 297.322 1.668 20 0 CDADMM CN(CCCc1ccccc1)c1cnc(-c2nnn[n-]2)cn1 ZINC001604756381 1163311318 /nfs/dbraw/zinc/31/13/18/1163311318.db2.gz UJANLHMMDOZWQO-UHFFFAOYSA-N -1 1 295.350 1.726 20 0 CDADMM CN(CCCc1ccccc1)c1cnc(-c2nn[n-]n2)cn1 ZINC001604756381 1163311324 /nfs/dbraw/zinc/31/13/24/1163311324.db2.gz UJANLHMMDOZWQO-UHFFFAOYSA-N -1 1 295.350 1.726 20 0 CDADMM CN(Cc1cccc(F)c1)c1ncncc1-c1nn[n-]n1 ZINC001604816253 1163335410 /nfs/dbraw/zinc/33/54/10/1163335410.db2.gz WDDKIUHRVUHLDL-UHFFFAOYSA-N -1 1 285.286 1.432 20 0 CDADMM CO[C@]1(C)CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001605015931 1163418414 /nfs/dbraw/zinc/41/84/14/1163418414.db2.gz RROLZUCGMPECGF-CYBMUJFWSA-N -1 1 274.328 1.267 20 0 CDADMM CO[C@]1(C)CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001605015931 1163418416 /nfs/dbraw/zinc/41/84/16/1163418416.db2.gz RROLZUCGMPECGF-CYBMUJFWSA-N -1 1 274.328 1.267 20 0 CDADMM CO[C@H]1CC[C@@H](Nc2ccc(C)nc2-c2nnn[n-]2)C1 ZINC001605029074 1163423736 /nfs/dbraw/zinc/42/37/36/1163423736.db2.gz IOHBJILPAXOSMF-ZJUUUORDSA-N -1 1 274.328 1.550 20 0 CDADMM CO[C@H]1CC[C@@H](Nc2ccc(C)nc2-c2nn[n-]n2)C1 ZINC001605029074 1163423739 /nfs/dbraw/zinc/42/37/39/1163423739.db2.gz IOHBJILPAXOSMF-ZJUUUORDSA-N -1 1 274.328 1.550 20 0 CDADMM COc1ccc(CN2CCn3cc[nH+]c32)cc1-c1nn[nH]n1 ZINC001605276647 1163511011 /nfs/dbraw/zinc/51/10/11/1163511011.db2.gz QQPCGYYTODRIRH-UHFFFAOYSA-N -1 1 297.322 1.092 20 0 CDADMM CCCN(CC1(C(=O)[O-])CC1)[C@@H](COC)C(=O)OCC ZINC001605313746 1163515713 /nfs/dbraw/zinc/51/57/13/1163515713.db2.gz JXFOKFDDDRSAKZ-NSHDSACASA-N 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1163611295 /nfs/dbraw/zinc/61/12/95/1163611295.db2.gz JCHAIYWNKKALMP-GHMZBOCLSA-N -1 1 288.355 1.574 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2OC3CCC2CC3)n1 ZINC001605567814 1163613328 /nfs/dbraw/zinc/61/33/28/1163613328.db2.gz WKUKGBSRDJOZIH-UHFFFAOYSA-N -1 1 273.300 1.028 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2OC3CCC2CC3)n1 ZINC001605567814 1163613331 /nfs/dbraw/zinc/61/33/31/1163613331.db2.gz WKUKGBSRDJOZIH-UHFFFAOYSA-N -1 1 273.300 1.028 20 0 CDADMM CCO[C@H](C)c1noc(CN2C[C@@H](C)[C@H](CC(=O)[O-])C2)n1 ZINC001605590913 1163617367 /nfs/dbraw/zinc/61/73/67/1163617367.db2.gz VGASRGNECDNCKZ-GMTAPVOTSA-N -1 1 297.355 1.710 20 0 CDADMM Cc1cc(NCC(C)(C)CCCO)nc(-c2nnn[n-]2)c1 ZINC001605722775 1163651365 /nfs/dbraw/zinc/65/13/65/1163651365.db2.gz AYIUOEKUPJGZNQ-UHFFFAOYSA-N -1 1 290.371 1.781 20 0 CDADMM Cc1cc(NCC(C)(C)CCCO)nc(-c2nn[n-]n2)c1 ZINC001605722775 1163651368 /nfs/dbraw/zinc/65/13/68/1163651368.db2.gz AYIUOEKUPJGZNQ-UHFFFAOYSA-N -1 1 290.371 1.781 20 0 CDADMM Cc1ccc(CNc2nc(C)cc(-c3nnn[n-]3)n2)cn1 ZINC001605858996 1163692512 /nfs/dbraw/zinc/69/25/12/1163692512.db2.gz ZJHOCYPORMXTEL-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1ccc(CNc2nc(C)cc(-c3nn[n-]n3)n2)cn1 ZINC001605858996 1163692514 /nfs/dbraw/zinc/69/25/14/1163692514.db2.gz ZJHOCYPORMXTEL-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1ccccc1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001605940182 1163720983 /nfs/dbraw/zinc/72/09/83/1163720983.db2.gz RYVPZEPTSBBBLD-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1[nH]nc(NC(=O)C[C@@H]2CC=CCC2)c1-c1nn[n-]n1 ZINC001606013457 1163743085 /nfs/dbraw/zinc/74/30/85/1163743085.db2.gz QOTFYLQMHCVWBF-SECBINFHSA-N -1 1 287.327 1.583 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC(C)(C)[C@@H]3CCC[C@@H]32)n1 ZINC001606019247 1163745249 /nfs/dbraw/zinc/74/52/49/1163745249.db2.gz BTVZALGHIMEGAP-PWSUYJOCSA-N -1 1 299.382 1.980 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC(C)(C)[C@@H]3CCC[C@@H]32)n1 ZINC001606019247 1163745255 /nfs/dbraw/zinc/74/52/55/1163745255.db2.gz BTVZALGHIMEGAP-PWSUYJOCSA-N -1 1 299.382 1.980 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC001606166069 1163794053 /nfs/dbraw/zinc/79/40/53/1163794053.db2.gz NEZLQBZVFKXDJA-YIZRAAEISA-N -1 1 289.339 1.885 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC001606166069 1163794059 /nfs/dbraw/zinc/79/40/59/1163794059.db2.gz NEZLQBZVFKXDJA-YIZRAAEISA-N -1 1 289.339 1.885 20 0 CDADMM CN1CC[C@H]1CNC(=O)Nc1cc(C(=O)[O-])cs1 ZINC001606218974 1163814918 /nfs/dbraw/zinc/81/49/18/1163814918.db2.gz OMUIKBYXJKPPNG-QMMMGPOBSA-N -1 1 269.326 1.272 20 0 CDADMM FC1(F)CC[C@@H](Cn2ccn3ncc(-c4nn[n-]n4)c23)C1 ZINC001606301002 1163846455 /nfs/dbraw/zinc/84/64/55/1163846455.db2.gz KQSSJVUHNODIMN-MRVPVSSYSA-N -1 1 293.281 1.751 20 0 CDADMM Fc1cc(Cl)c(Oc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001606310968 1163853382 /nfs/dbraw/zinc/85/33/82/1163853382.db2.gz DAVCEQDZZQVQGR-UHFFFAOYSA-N -1 1 293.649 1.637 20 0 CDADMM O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606498997 1163917782 /nfs/dbraw/zinc/91/77/82/1163917782.db2.gz VAWSQYQUTQYCNC-LPEHRKFASA-N -1 1 284.323 1.636 20 0 CDADMM O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606498997 1163917787 /nfs/dbraw/zinc/91/77/87/1163917787.db2.gz VAWSQYQUTQYCNC-LPEHRKFASA-N -1 1 284.323 1.636 20 0 CDADMM O=C(Cc1ccccc1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001606604117 1163936489 /nfs/dbraw/zinc/93/64/89/1163936489.db2.gz IPNCICAZFOPVSM-UHFFFAOYSA-N -1 1 294.318 1.121 20 0 CDADMM O=C(Cc1ccccc1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001606604117 1163936493 /nfs/dbraw/zinc/93/64/93/1163936493.db2.gz IPNCICAZFOPVSM-UHFFFAOYSA-N -1 1 294.318 1.121 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1CC12CCCC2 ZINC001606943948 1164035245 /nfs/dbraw/zinc/03/52/45/1164035245.db2.gz JOOTYRLJNDBTRB-LLVKDONJSA-N -1 1 299.338 1.716 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1CC12CCCC2 ZINC001606943948 1164035251 /nfs/dbraw/zinc/03/52/51/1164035251.db2.gz JOOTYRLJNDBTRB-LLVKDONJSA-N -1 1 299.338 1.716 20 0 CDADMM c1ccc([C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001607129703 1164110338 /nfs/dbraw/zinc/11/03/38/1164110338.db2.gz PPJSAUQBRGZQLH-LLVKDONJSA-N -1 1 294.322 1.393 20 0 CDADMM c1cn(CCC2SCCS2)c(-c2nnn[n-]2)n1 ZINC001607132758 1164112273 /nfs/dbraw/zinc/11/22/73/1164112273.db2.gz ATARYZWZCIQCBP-UHFFFAOYSA-N -1 1 268.371 1.259 20 0 CDADMM c1cn(CCC2SCCS2)c(-c2nn[n-]n2)n1 ZINC001607132758 1164112276 /nfs/dbraw/zinc/11/22/76/1164112276.db2.gz ATARYZWZCIQCBP-UHFFFAOYSA-N -1 1 268.371 1.259 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@H]2CCC3(CCC3)O2)c1 ZINC001607133186 1164113094 /nfs/dbraw/zinc/11/30/94/1164113094.db2.gz AFAZOMIRDXNTQZ-SNVBAGLBSA-N -1 1 286.339 1.775 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@H]2CCC3(CCC3)O2)c1 ZINC001607133186 1164113099 /nfs/dbraw/zinc/11/30/99/1164113099.db2.gz AFAZOMIRDXNTQZ-SNVBAGLBSA-N -1 1 286.339 1.775 20 0 CDADMM c1ncc(N2CCC3(C2)CCCCC3)nc1-c1nnn[n-]1 ZINC001607139000 1164120149 /nfs/dbraw/zinc/12/01/49/1164120149.db2.gz RPCCCFCXRJJAEJ-UHFFFAOYSA-N -1 1 285.355 1.817 20 0 CDADMM c1ncc(N2CCC3(C2)CCCCC3)nc1-c1nn[n-]n1 ZINC001607139000 1164120154 /nfs/dbraw/zinc/12/01/54/1164120154.db2.gz RPCCCFCXRJJAEJ-UHFFFAOYSA-N -1 1 285.355 1.817 20 0 CDADMM COc1cc(C)cc(CN2CC(C)(C(=O)[O-])C2)c1OC ZINC001607149457 1164121847 /nfs/dbraw/zinc/12/18/47/1164121847.db2.gz PHQNRQVFPYFLSK-UHFFFAOYSA-N -1 1 279.336 1.919 20 0 CDADMM COc1ccnc(N2CCN(C/C(C)=C/C(=O)[O-])CC2)c1 ZINC001607351225 1164153248 /nfs/dbraw/zinc/15/32/48/1164153248.db2.gz XQJYFUQUUCCVHG-FMIVXFBMSA-N -1 1 291.351 1.243 20 0 CDADMM C[C@H](N[C@H](C(=O)[O-])C1CC1)C(=O)NCCc1ccccc1 ZINC001607460948 1164189829 /nfs/dbraw/zinc/18/98/29/1164189829.db2.gz KIDXYBNEICYBPB-FZMZJTMJSA-N -1 1 290.363 1.187 20 0 CDADMM C[C@H]1CN(C(=O)CCCCc2cn[nH]n2)C[C@]1(C)C(=O)[O-] ZINC001607468613 1164192502 /nfs/dbraw/zinc/19/25/02/1164192502.db2.gz HGHCPIGGTXKQCI-HZMBPMFUSA-N -1 1 294.355 1.087 20 0 CDADMM Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H](C)CC(=O)[O-] ZINC001607500651 1164210455 /nfs/dbraw/zinc/21/04/55/1164210455.db2.gz SRWMSSJWDOYKRF-BYPYZUCNSA-N -1 1 261.228 1.705 20 0 CDADMM Cc1nc2c(cccc2C(=O)N2CC[C@H]2C(=O)[O-])[nH]1 ZINC001607968937 1164355597 /nfs/dbraw/zinc/35/55/97/1164355597.db2.gz YFVXPHMWHGRVHA-JTQLQIEISA-N -1 1 259.265 1.170 20 0 CDADMM N[C@@H](C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1ccccc1 ZINC001608249440 1164466873 /nfs/dbraw/zinc/46/68/73/1164466873.db2.gz WYASBBMHNCXPRL-XGFWRYKXSA-N -1 1 288.347 1.302 20 0 CDADMM O=C([O-])[C@@H](F)CNC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC001608457865 1164520183 /nfs/dbraw/zinc/52/01/83/1164520183.db2.gz RYFNHRDLFWTIPK-QWHCGFSZSA-N -1 1 294.326 1.190 20 0 CDADMM O=C([O-])[C@H](c1ccc(F)cc1)N1CCO[C@]2(CCOC2)C1 ZINC001608560862 1164546163 /nfs/dbraw/zinc/54/61/63/1164546163.db2.gz FSINZHGMZPKHFV-DZGCQCFKSA-N -1 1 295.310 1.443 20 0 CDADMM O=C([O-])COc1ccc(CNCc2cncc(O)c2)cc1 ZINC001608759351 1164630494 /nfs/dbraw/zinc/63/04/94/1164630494.db2.gz IKVHBDQVOSZEPN-UHFFFAOYSA-N -1 1 288.303 1.540 20 0 CDADMM O=C([O-])c1cnc(NCc2ccc3cncn3c2)nc1 ZINC001608978114 1164701633 /nfs/dbraw/zinc/70/16/33/1164701633.db2.gz YREMNXCHRAYUAL-UHFFFAOYSA-N -1 1 269.264 1.435 20 0 CDADMM C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)C1CCC1 ZINC001609122416 1164779847 /nfs/dbraw/zinc/77/98/47/1164779847.db2.gz VNBBSNHKVSVLAA-MRVPVSSYSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)C1CCC1 ZINC001609122416 1164779856 /nfs/dbraw/zinc/77/98/56/1164779856.db2.gz VNBBSNHKVSVLAA-MRVPVSSYSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2cccc(-c3nnn[n-]3)n2)O1 ZINC001609154137 1164802573 /nfs/dbraw/zinc/80/25/73/1164802573.db2.gz KHZCKGPATGWEDK-VAOFZXAKSA-N -1 1 288.311 1.014 20 0 CDADMM C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2cccc(-c3nn[n-]n3)n2)O1 ZINC001609154137 1164802578 /nfs/dbraw/zinc/80/25/78/1164802578.db2.gz KHZCKGPATGWEDK-VAOFZXAKSA-N -1 1 288.311 1.014 20 0 CDADMM C[C@@H]1C[C@H](COc2ccc(F)nc2-c2nnn[n-]2)CCO1 ZINC001609157812 1164806037 /nfs/dbraw/zinc/80/60/37/1164806037.db2.gz VZTYLXMUWGXBSN-RKDXNWHRSA-N -1 1 293.302 1.595 20 0 CDADMM C[C@@H]1C[C@H](COc2ccc(F)nc2-c2nn[n-]n2)CCO1 ZINC001609157812 1164806043 /nfs/dbraw/zinc/80/60/43/1164806043.db2.gz VZTYLXMUWGXBSN-RKDXNWHRSA-N -1 1 293.302 1.595 20 0 CDADMM C[C@@H]1C[C@H]2CCCC[C@H]2N1c1cncc(-c2nnn[n-]2)n1 ZINC001609159706 1164806460 /nfs/dbraw/zinc/80/64/60/1164806460.db2.gz SFINTGAVEWKEOP-CKYFFXLPSA-N -1 1 285.355 1.814 20 0 CDADMM C[C@@H]1C[C@H]2CCCC[C@H]2N1c1cncc(-c2nn[n-]n2)n1 ZINC001609159706 1164806467 /nfs/dbraw/zinc/80/64/67/1164806467.db2.gz SFINTGAVEWKEOP-CKYFFXLPSA-N -1 1 285.355 1.814 20 0 CDADMM C[C@@H]1CCC[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)[C@H]1C ZINC001609164431 1164811705 /nfs/dbraw/zinc/81/17/05/1164811705.db2.gz RGHFRNYOVSUYCK-JFGNBEQYSA-N -1 1 272.356 1.920 20 0 CDADMM C[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)[C@H]1C ZINC001609164431 1164811710 /nfs/dbraw/zinc/81/17/10/1164811710.db2.gz RGHFRNYOVSUYCK-JFGNBEQYSA-N -1 1 272.356 1.920 20 0 CDADMM C[C@@H]1CCC[C@@H](Nc2ncncc2-c2nn[n-]n2)[C@@H]1C ZINC001609163633 1164811927 /nfs/dbraw/zinc/81/19/27/1164811927.db2.gz CJKCDRMPDZDRSR-FXPVBKGRSA-N -1 1 273.344 1.893 20 0 CDADMM CC[C@@H]1CCC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609199828 1164838141 /nfs/dbraw/zinc/83/81/41/1164838141.db2.gz GTBZHYQKWSACLE-NXEZZACHSA-N -1 1 286.339 1.570 20 0 CDADMM CC[C@@H]1CCC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609199828 1164838148 /nfs/dbraw/zinc/83/81/48/1164838148.db2.gz GTBZHYQKWSACLE-NXEZZACHSA-N -1 1 286.339 1.570 20 0 CDADMM CC[C@H]1CCC[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609199829 1164840443 /nfs/dbraw/zinc/84/04/43/1164840443.db2.gz GTBZHYQKWSACLE-UWVGGRQHSA-N -1 1 286.339 1.570 20 0 CDADMM CC[C@H]1CCC[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609199829 1164840446 /nfs/dbraw/zinc/84/04/46/1164840446.db2.gz GTBZHYQKWSACLE-UWVGGRQHSA-N -1 1 286.339 1.570 20 0 CDADMM CO[C@H]1CC[C@H](OC(=O)c2csc(-c3nnn[n-]3)c2)C1 ZINC001609313833 1164893961 /nfs/dbraw/zinc/89/39/61/1164893961.db2.gz UXUKKAGZHGRQCU-IUCAKERBSA-N -1 1 294.336 1.653 20 0 CDADMM CO[C@H]1CC[C@H](OC(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001609313833 1164893970 /nfs/dbraw/zinc/89/39/70/1164893970.db2.gz UXUKKAGZHGRQCU-IUCAKERBSA-N -1 1 294.336 1.653 20 0 CDADMM COc1ccccc1NCc1nc(-c2nnn[n-]2)cs1 ZINC001609364460 1164912381 /nfs/dbraw/zinc/91/23/81/1164912381.db2.gz OXCDEMVUZIYMIJ-UHFFFAOYSA-N -1 1 288.336 1.944 20 0 CDADMM COc1ccccc1NCc1nc(-c2nn[n-]n2)cs1 ZINC001609364460 1164912384 /nfs/dbraw/zinc/91/23/84/1164912384.db2.gz OXCDEMVUZIYMIJ-UHFFFAOYSA-N -1 1 288.336 1.944 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)C(C)C)n1 ZINC001609392453 1164925901 /nfs/dbraw/zinc/92/59/01/1164925901.db2.gz QKKAIXWCPGVAIG-MRVPVSSYSA-N -1 1 261.333 1.669 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)C(C)C)n1 ZINC001609392453 1164925905 /nfs/dbraw/zinc/92/59/05/1164925905.db2.gz QKKAIXWCPGVAIG-MRVPVSSYSA-N -1 1 261.333 1.669 20 0 CDADMM Cc1cc(N2CC[C@@H](CCCO)C2)cc(-c2nnn[n-]2)n1 ZINC001609404830 1164931923 /nfs/dbraw/zinc/93/19/23/1164931923.db2.gz MGOPQUSGATZJJV-LLVKDONJSA-N -1 1 288.355 1.169 20 0 CDADMM Cc1cc(N2CC[C@@H](CCCO)C2)cc(-c2nn[n-]n2)n1 ZINC001609404830 1164931930 /nfs/dbraw/zinc/93/19/30/1164931930.db2.gz MGOPQUSGATZJJV-LLVKDONJSA-N -1 1 288.355 1.169 20 0 CDADMM Cc1cc(NCCCCF)cc(-c2nnn[n-]2)n1 ZINC001609409645 1164935208 /nfs/dbraw/zinc/93/52/08/1164935208.db2.gz RIJHYFWCBQMSSZ-UHFFFAOYSA-N -1 1 250.281 1.732 20 0 CDADMM Cc1cc(NCCCCF)cc(-c2nn[n-]n2)n1 ZINC001609409645 1164935216 /nfs/dbraw/zinc/93/52/16/1164935216.db2.gz RIJHYFWCBQMSSZ-UHFFFAOYSA-N -1 1 250.281 1.732 20 0 CDADMM Cc1cc(NCCc2cscn2)cc(-c2nnn[n-]2)n1 ZINC001609410593 1164936568 /nfs/dbraw/zinc/93/65/68/1164936568.db2.gz LVYOQIBFWIALDO-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM Cc1cc(NCCc2cscn2)cc(-c2nn[n-]n2)n1 ZINC001609410593 1164936571 /nfs/dbraw/zinc/93/65/71/1164936571.db2.gz LVYOQIBFWIALDO-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@H]1C[C@H]1C ZINC001609467738 1164964076 /nfs/dbraw/zinc/96/40/76/1164964076.db2.gz RPDWLQWGOUQHFB-SVRRBLITSA-N -1 1 261.285 1.154 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@H]1C[C@H]1C ZINC001609467738 1164964080 /nfs/dbraw/zinc/96/40/80/1164964080.db2.gz RPDWLQWGOUQHFB-SVRRBLITSA-N -1 1 261.285 1.154 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)CC1CC1 ZINC001609467109 1164964104 /nfs/dbraw/zinc/96/41/04/1164964104.db2.gz UWPBHQQJMACBIL-UHFFFAOYSA-N -1 1 261.285 1.250 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)CC1CC1 ZINC001609467109 1164964109 /nfs/dbraw/zinc/96/41/09/1164964109.db2.gz UWPBHQQJMACBIL-UHFFFAOYSA-N -1 1 261.285 1.250 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@]1(C)CCO[C@@H]1C ZINC001609467869 1164964816 /nfs/dbraw/zinc/96/48/16/1164964816.db2.gz WITNPBXJRPTUME-OQPBUACISA-N -1 1 291.311 1.065 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@]1(C)CCO[C@@H]1C ZINC001609467869 1164964823 /nfs/dbraw/zinc/96/48/23/1164964823.db2.gz WITNPBXJRPTUME-OQPBUACISA-N -1 1 291.311 1.065 20 0 CDADMM CC(C)[C@H](CO)O[N-]C(=O)Cc1cccnc1Cl ZINC000868725636 1164986590 /nfs/dbraw/zinc/98/65/90/1164986590.db2.gz AOAHZWAEXIUJFW-JTQLQIEISA-N -1 1 272.732 1.342 20 0 CDADMM Cc1cc(C[C@@H](C)Nc2ncncc2C(=O)[O-])[nH]n1 ZINC001610459111 1165319763 /nfs/dbraw/zinc/31/97/63/1165319763.db2.gz IMNNQDXPNXEOCR-SSDOTTSWSA-N -1 1 261.285 1.249 20 0 CDADMM Cc1oc(CNC(=O)[C@@H](N)c2ccccc2)cc1C(=O)[O-] ZINC001610583421 1165366431 /nfs/dbraw/zinc/36/64/31/1165366431.db2.gz HEADIWZHLLMARD-ZDUSSCGKSA-N -1 1 288.303 1.602 20 0 CDADMM O=C([O-])c1ccccc1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001610698526 1165410089 /nfs/dbraw/zinc/41/00/89/1165410089.db2.gz XWOHFVXZQFBCFQ-UHFFFAOYSA-N -1 1 296.286 1.586 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](O)CN1Cc1ccc2ccccc2c1 ZINC001610734957 1165422427 /nfs/dbraw/zinc/42/24/27/1165422427.db2.gz NOYDTGHQSPDMGN-GJZGRUSLSA-N -1 1 271.316 1.860 20 0 CDADMM O=C([O-])c1ccc(-c2nc([C@H]3CCCN3)no2)cc1F ZINC001610818130 1165452545 /nfs/dbraw/zinc/45/25/45/1165452545.db2.gz IAMAMHBJEVCPPE-SNVBAGLBSA-N -1 1 277.255 1.998 20 0 CDADMM C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1c[n-][nH]c1=O ZINC001611379401 1165491585 /nfs/dbraw/zinc/49/15/85/1165491585.db2.gz GWGVUZPEPJUPRE-VIFPVBQESA-N -1 1 297.318 1.876 20 0 CDADMM CC(C)NC(=S)N[N-]C(=O)c1cc(Cl)ccc1F ZINC000015429558 1165576139 /nfs/dbraw/zinc/57/61/39/1165576139.db2.gz PRJWQOQUARFIBT-UHFFFAOYSA-N -1 1 289.763 1.996 20 0 CDADMM CCOC(=O)c1cc(NC(=O)c2ncc3ccccn32)n[nH]1 ZINC001624442533 1165839694 /nfs/dbraw/zinc/83/96/94/1165839694.db2.gz JDVCRIDMHKXOBA-UHFFFAOYSA-N -1 1 299.290 1.486 20 0 CDADMM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)OCc1nn[n-]n1 ZINC001649224858 1166127806 /nfs/dbraw/zinc/12/78/06/1166127806.db2.gz BUMJZGFHAOHLJJ-VIFPVBQESA-N -1 1 288.307 1.199 20 0 CDADMM O=C(NCc1nc([O-])cc(=O)[nH]1)c1ccc2cc[nH]c2c1 ZINC001630646365 1166221314 /nfs/dbraw/zinc/22/13/14/1166221314.db2.gz IHYWOVNBHCNUMQ-UHFFFAOYSA-N -1 1 284.275 1.299 20 0 CDADMM c1ccc([C@H]2C[C@H]2Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC000095168354 1166604765 /nfs/dbraw/zinc/60/47/65/1166604765.db2.gz RLWKRKJKAPGLSL-GHMZBOCLSA-N -1 1 279.307 1.625 20 0 CDADMM c1ccc([C@H]2C[C@H]2Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC000095168354 1166604769 /nfs/dbraw/zinc/60/47/69/1166604769.db2.gz RLWKRKJKAPGLSL-GHMZBOCLSA-N -1 1 279.307 1.625 20 0 CDADMM Cc1ccc(O)c([N-]S(=O)(=O)C2CCOCC2)c1 ZINC000050199956 1166634421 /nfs/dbraw/zinc/63/44/21/1166634421.db2.gz XJNNBTWYNKPAQR-UHFFFAOYSA-N -1 1 271.338 1.621 20 0 CDADMM CCC1(NC(=O)c2cnc(SC)[n-]c2=O)CC1 ZINC001641187116 1167084388 /nfs/dbraw/zinc/08/43/88/1167084388.db2.gz CIHZWERLVUXSCA-UHFFFAOYSA-N -1 1 253.327 1.577 20 0 CDADMM CC[C@H](C)[C@@H](CO)NC(=O)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155269635 1167110772 /nfs/dbraw/zinc/11/07/72/1167110772.db2.gz NBQNLIVBCWBEKF-QPUJVOFHSA-N -1 1 277.324 1.405 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc2c(c1)nc[nH]c2=O ZINC001641715553 1167132841 /nfs/dbraw/zinc/13/28/41/1167132841.db2.gz GQJZVLHYSHUDRL-UHFFFAOYSA-N -1 1 285.263 1.325 20 0 CDADMM O=C(COC(=O)[C@@H]1C[C@@H]1C1CC1)c1ccc([O-])cc1O ZINC001645594987 1167433277 /nfs/dbraw/zinc/43/32/77/1167433277.db2.gz WWLGLOMEJQXYNX-VXGBXAGGSA-N -1 1 276.288 1.870 20 0 CDADMM Cc1noc(CNC(=O)c2ccc3ccc(O)cc3c2[O-])n1 ZINC001565636571 1168160827 /nfs/dbraw/zinc/16/08/27/1168160827.db2.gz WAYYHKZSQLMOLL-UHFFFAOYSA-N -1 1 299.286 1.872 20 0 CDADMM Cc1nc([C@@H](C)Nc2nc(C(=O)[O-])cc(C(C)C)n2)n[nH]1 ZINC001574199899 1170916887 /nfs/dbraw/zinc/91/68/87/1170916887.db2.gz HGHVIGIAWHMPKH-SSDOTTSWSA-N -1 1 290.327 1.898 20 0 CDADMM Cc1ccc(O[C@@H](C)C(=O)Nc2c[n-][nH]c2=O)cc1 ZINC001654600233 1171622046 /nfs/dbraw/zinc/62/20/46/1171622046.db2.gz VRBUOIBADPPZTO-VIFPVBQESA-N -1 1 261.281 1.830 20 0 CDADMM CCO[C@@H]1CCCC[C@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001578379069 1171891729 /nfs/dbraw/zinc/89/17/29/1171891729.db2.gz ZXSBWRZLKSOKBP-MWLCHTKSSA-N -1 1 289.343 1.416 20 0 CDADMM CCO[C@@H]1CCCC[C@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001578379069 1171891737 /nfs/dbraw/zinc/89/17/37/1171891737.db2.gz ZXSBWRZLKSOKBP-MWLCHTKSSA-N -1 1 289.343 1.416 20 0 CDADMM Fc1ccc2c(c1)[C@H](Nc1cncc(-c3nnn[n-]3)n1)CC2 ZINC001581855338 1172625199 /nfs/dbraw/zinc/62/51/99/1172625199.db2.gz WFLRFLLJRMVIOD-LLVKDONJSA-N -1 1 297.297 1.895 20 0 CDADMM Fc1ccc2c(c1)[C@H](Nc1cncc(-c3nn[n-]n3)n1)CC2 ZINC001581855338 1172625203 /nfs/dbraw/zinc/62/52/03/1172625203.db2.gz WFLRFLLJRMVIOD-LLVKDONJSA-N -1 1 297.297 1.895 20 0 CDADMM c1c(-c2nn[n-]n2)nnn1Cc1nc2ccccc2s1 ZINC001582819197 1172698005 /nfs/dbraw/zinc/69/80/05/1172698005.db2.gz QJCNSOPVGZHYKG-UHFFFAOYSA-N -1 1 284.308 1.116 20 0 CDADMM CC(C)(C)c1cc(Cn2ccnc2-c2nnn[n-]2)no1 ZINC001589214656 1173130255 /nfs/dbraw/zinc/13/02/55/1173130255.db2.gz HDVRGJKJFFDBFI-UHFFFAOYSA-N -1 1 273.300 1.397 20 0 CDADMM CC(C)(C)c1cc(Cn2ccnc2-c2nn[n-]n2)no1 ZINC001589214656 1173130260 /nfs/dbraw/zinc/13/02/60/1173130260.db2.gz HDVRGJKJFFDBFI-UHFFFAOYSA-N -1 1 273.300 1.397 20 0 CDADMM CC(C)(F)COC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589312817 1173137542 /nfs/dbraw/zinc/13/75/42/1173137542.db2.gz UGXXYFQORZRBSZ-UHFFFAOYSA-N -1 1 279.275 1.096 20 0 CDADMM CC(C)(F)COC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589312817 1173137546 /nfs/dbraw/zinc/13/75/46/1173137546.db2.gz UGXXYFQORZRBSZ-UHFFFAOYSA-N -1 1 279.275 1.096 20 0 CDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001589490894 1173149672 /nfs/dbraw/zinc/14/96/72/1173149672.db2.gz MUEKRRSZDJTDGC-QPUJVOFHSA-N -1 1 275.316 1.211 20 0 CDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001589490894 1173149677 /nfs/dbraw/zinc/14/96/77/1173149677.db2.gz MUEKRRSZDJTDGC-QPUJVOFHSA-N -1 1 275.316 1.211 20 0 CDADMM CC(C)[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)[C@H]1C(C)C ZINC001589520647 1173153492 /nfs/dbraw/zinc/15/34/92/1173153492.db2.gz XCIGEGCIDZWMPR-GWCFXTLKSA-N -1 1 287.371 1.774 20 0 CDADMM CC(C)[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)[C@H]1C(C)C ZINC001589520647 1173153497 /nfs/dbraw/zinc/15/34/97/1173153497.db2.gz XCIGEGCIDZWMPR-GWCFXTLKSA-N -1 1 287.371 1.774 20 0 CDADMM CC(C)n1cc(NCc2nc(-c3nnn[n-]3)cs2)cn1 ZINC001589782395 1173178128 /nfs/dbraw/zinc/17/81/28/1173178128.db2.gz QFTFODAQSGLDPN-UHFFFAOYSA-N -1 1 290.356 1.713 20 0 CDADMM CC(C)n1cc(NCc2nc(-c3nn[n-]n3)cs2)cn1 ZINC001589782395 1173178138 /nfs/dbraw/zinc/17/81/38/1173178138.db2.gz QFTFODAQSGLDPN-UHFFFAOYSA-N -1 1 290.356 1.713 20 0 CDADMM C[C@H](CN(C)c1ncncc1-c1nn[n-]n1)C(C)(C)C ZINC001589847593 1173190295 /nfs/dbraw/zinc/19/02/95/1173190295.db2.gz HFFMDMLCUFEYFD-SECBINFHSA-N -1 1 275.360 1.775 20 0 CDADMM C[C@](O)(CNc1cccnc1-c1nnn[n-]1)c1ccco1 ZINC001589989329 1173226056 /nfs/dbraw/zinc/22/60/56/1173226056.db2.gz CFMPAUAKQOCSAF-ZDUSSCGKSA-N -1 1 286.295 1.174 20 0 CDADMM C[C@](O)(CNc1cccnc1-c1nn[n-]n1)c1ccco1 ZINC001589989329 1173226058 /nfs/dbraw/zinc/22/60/58/1173226058.db2.gz CFMPAUAKQOCSAF-ZDUSSCGKSA-N -1 1 286.295 1.174 20 0 CDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)o1)c1csnn1 ZINC001590010083 1173234173 /nfs/dbraw/zinc/23/41/73/1173234173.db2.gz MWRKTBSENAEHGE-YFKPBYRVSA-N -1 1 292.280 1.229 20 0 CDADMM CC1(C(=O)OCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001590074128 1173245427 /nfs/dbraw/zinc/24/54/27/1173245427.db2.gz PXXHATBCKBNDRJ-UHFFFAOYSA-N -1 1 265.298 1.167 20 0 CDADMM CC1(C(=O)OCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001590074128 1173245431 /nfs/dbraw/zinc/24/54/31/1173245431.db2.gz PXXHATBCKBNDRJ-UHFFFAOYSA-N -1 1 265.298 1.167 20 0 CDADMM CC1(C)CC[C@@H]1C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001590093069 1173253669 /nfs/dbraw/zinc/25/36/69/1173253669.db2.gz NDMIVSKOZYWDDX-SECBINFHSA-N -1 1 276.296 1.939 20 0 CDADMM CC1(C)CC[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001590093069 1173253674 /nfs/dbraw/zinc/25/36/74/1173253674.db2.gz NDMIVSKOZYWDDX-SECBINFHSA-N -1 1 276.296 1.939 20 0 CDADMM CC1(C)CO[C@@H](COc2ccc(F)nc2-c2nn[n-]n2)C1 ZINC001590110800 1173258837 /nfs/dbraw/zinc/25/88/37/1173258837.db2.gz ILSMSZXOFOORMS-MRVPVSSYSA-N -1 1 293.302 1.595 20 0 CDADMM CC1(C)OCC[C@@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590116467 1173261212 /nfs/dbraw/zinc/26/12/12/1173261212.db2.gz CBINKJSVKIJHJN-VIFPVBQESA-N -1 1 293.352 1.226 20 0 CDADMM CC1(CC(F)F)CN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590123385 1173264311 /nfs/dbraw/zinc/26/43/11/1173264311.db2.gz KHPBHMSIMWKHCN-UHFFFAOYSA-N -1 1 281.270 1.138 20 0 CDADMM CC1(CC(F)F)CN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590123385 1173264318 /nfs/dbraw/zinc/26/43/18/1173264318.db2.gz KHPBHMSIMWKHCN-UHFFFAOYSA-N -1 1 281.270 1.138 20 0 CDADMM C[C@@]1(CNc2ncncc2-c2nn[n-]n2)CCCCO1 ZINC001590136571 1173269719 /nfs/dbraw/zinc/26/97/19/1173269719.db2.gz WHAXYWUTVOQWBY-LBPRGKRZSA-N -1 1 275.316 1.028 20 0 CDADMM C[C@]1(CNc2ncncc2-c2nn[n-]n2)CCCCO1 ZINC001590136570 1173270338 /nfs/dbraw/zinc/27/03/38/1173270338.db2.gz WHAXYWUTVOQWBY-GFCCVEGCSA-N -1 1 275.316 1.028 20 0 CDADMM C[C@@H]1C[C@H](C)N(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001590191674 1173287823 /nfs/dbraw/zinc/28/78/23/1173287823.db2.gz RVDCUSMNOWHSPS-BDAKNGLRSA-N -1 1 287.327 1.524 20 0 CDADMM C[C@@H]1C[C@H](C)N(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001590191674 1173287827 /nfs/dbraw/zinc/28/78/27/1173287827.db2.gz RVDCUSMNOWHSPS-BDAKNGLRSA-N -1 1 287.327 1.524 20 0 CDADMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1c1cnc(-c2nnn[n-]2)cn1 ZINC001590217751 1173298952 /nfs/dbraw/zinc/29/89/52/1173298952.db2.gz DYXATMQNSXXHLQ-FOGDFJRCSA-N -1 1 285.355 1.814 20 0 CDADMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1c1cnc(-c2nn[n-]n2)cn1 ZINC001590217751 1173298955 /nfs/dbraw/zinc/29/89/55/1173298955.db2.gz DYXATMQNSXXHLQ-FOGDFJRCSA-N -1 1 285.355 1.814 20 0 CDADMM C[C@@H]1CCC[C@H](C2CN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001590244988 1173318123 /nfs/dbraw/zinc/31/81/23/1173318123.db2.gz XKGDEGMPNLWFBM-MNOVXSKESA-N -1 1 299.382 1.919 20 0 CDADMM C[C@@H]1CCC[C@H](C2CN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001590244988 1173318124 /nfs/dbraw/zinc/31/81/24/1173318124.db2.gz XKGDEGMPNLWFBM-MNOVXSKESA-N -1 1 299.382 1.919 20 0 CDADMM C[C@H]1CCCCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590260576 1173323410 /nfs/dbraw/zinc/32/34/10/1173323410.db2.gz PSDUNMVOJFKULW-QMMMGPOBSA-N -1 1 277.353 1.943 20 0 CDADMM C[C@H]1CCCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001590263293 1173329808 /nfs/dbraw/zinc/32/98/08/1173329808.db2.gz AUCLUBKVBJLPLR-YFKPBYRVSA-N -1 1 270.749 1.965 20 0 CDADMM C[C@H]1CCCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590263293 1173329814 /nfs/dbraw/zinc/32/98/14/1173329814.db2.gz AUCLUBKVBJLPLR-YFKPBYRVSA-N -1 1 270.749 1.965 20 0 CDADMM C[C@@H]1CSC[C@@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590330056 1173362242 /nfs/dbraw/zinc/36/22/42/1173362242.db2.gz VXXIFSUACOEKBS-SVRRBLITSA-N -1 1 295.393 1.410 20 0 CDADMM CC[C@H](C)[C@@H](C)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590402369 1173392102 /nfs/dbraw/zinc/39/21/02/1173392102.db2.gz YXDJVKNQLZSLQL-DTWKUNHWSA-N -1 1 274.328 1.426 20 0 CDADMM CC[C@H](C)[C@@H](C)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590402369 1173392105 /nfs/dbraw/zinc/39/21/05/1173392105.db2.gz YXDJVKNQLZSLQL-DTWKUNHWSA-N -1 1 274.328 1.426 20 0 CDADMM CC[C@H](COC)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590449067 1173413480 /nfs/dbraw/zinc/41/34/80/1173413480.db2.gz QIWMGTMUDXSERN-SSDOTTSWSA-N -1 1 281.341 1.083 20 0 CDADMM CC[C@H](COC)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590449067 1173413484 /nfs/dbraw/zinc/41/34/84/1173413484.db2.gz QIWMGTMUDXSERN-SSDOTTSWSA-N -1 1 281.341 1.083 20 0 CDADMM CC[C@@H](O)CCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001590477763 1173427051 /nfs/dbraw/zinc/42/70/51/1173427051.db2.gz YWHUGHWAVCPIFF-RXMQYKEDSA-N -1 1 288.764 1.550 20 0 CDADMM CC[C@@H](O)CCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590477763 1173427055 /nfs/dbraw/zinc/42/70/55/1173427055.db2.gz YWHUGHWAVCPIFF-RXMQYKEDSA-N -1 1 288.764 1.550 20 0 CDADMM CC[C@H]1CC[C@@H](C)N1c1cncc(-c2nnn[n-]2)n1 ZINC001590505869 1173439210 /nfs/dbraw/zinc/43/92/10/1173439210.db2.gz WWPVCMJLVXAGQB-BDAKNGLRSA-N -1 1 259.317 1.424 20 0 CDADMM CC[C@H]1CC[C@@H](C)N1c1cncc(-c2nn[n-]n2)n1 ZINC001590505869 1173439214 /nfs/dbraw/zinc/43/92/14/1173439214.db2.gz WWPVCMJLVXAGQB-BDAKNGLRSA-N -1 1 259.317 1.424 20 0 CDADMM CCCC(=CC(=O)n1ncc(-c2nn[n-]n2)c1N)CCC ZINC001590530624 1173455871 /nfs/dbraw/zinc/45/58/71/1173455871.db2.gz FIKRVZRFZAEQSW-UHFFFAOYSA-N -1 1 289.343 1.812 20 0 CDADMM CCCCC1(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001590581559 1173468062 /nfs/dbraw/zinc/46/80/62/1173468062.db2.gz BBPDNSPTHJSXLR-UHFFFAOYSA-N -1 1 286.339 1.714 20 0 CDADMM CCCCC1(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001590581559 1173468064 /nfs/dbraw/zinc/46/80/64/1173468064.db2.gz BBPDNSPTHJSXLR-UHFFFAOYSA-N -1 1 286.339 1.714 20 0 CDADMM CCCCNC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001590604471 1173475662 /nfs/dbraw/zinc/47/56/62/1173475662.db2.gz IEVFDVQNODIURD-UHFFFAOYSA-N -1 1 281.345 1.553 20 0 CDADMM CCCCNC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590604471 1173475669 /nfs/dbraw/zinc/47/56/69/1173475669.db2.gz IEVFDVQNODIURD-UHFFFAOYSA-N -1 1 281.345 1.553 20 0 CDADMM CCCOCCOC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001590644611 1173481715 /nfs/dbraw/zinc/48/17/15/1173481715.db2.gz IMKTUGVZBPNWBY-UHFFFAOYSA-N -1 1 282.325 1.512 20 0 CDADMM CCCOCCOC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590644611 1173481720 /nfs/dbraw/zinc/48/17/20/1173481720.db2.gz IMKTUGVZBPNWBY-UHFFFAOYSA-N -1 1 282.325 1.512 20 0 CDADMM CCN(C(=O)c1ccnc(-c2nnn[n-]2)c1)[C@H](C)C(C)C ZINC001590675235 1173487234 /nfs/dbraw/zinc/48/72/34/1173487234.db2.gz OIAMRCMPXPDTDK-SNVBAGLBSA-N -1 1 288.355 1.768 20 0 CDADMM CCN(C(=O)c1ccnc(-c2nn[n-]n2)c1)[C@H](C)C(C)C ZINC001590675235 1173487237 /nfs/dbraw/zinc/48/72/37/1173487237.db2.gz OIAMRCMPXPDTDK-SNVBAGLBSA-N -1 1 288.355 1.768 20 0 CDADMM CCOc1cccc(COc2cccnc2-c2nnn[n-]2)n1 ZINC001590841381 1173525018 /nfs/dbraw/zinc/52/50/18/1173525018.db2.gz OBWAHFIXMQCLTL-UHFFFAOYSA-N -1 1 298.306 1.634 20 0 CDADMM CCOc1cccc(COc2cccnc2-c2nn[n-]n2)n1 ZINC001590841381 1173525027 /nfs/dbraw/zinc/52/50/27/1173525027.db2.gz OBWAHFIXMQCLTL-UHFFFAOYSA-N -1 1 298.306 1.634 20 0 CDADMM CCOc1ccc(Oc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001590839234 1173526308 /nfs/dbraw/zinc/52/63/08/1173526308.db2.gz GYRUQXUFZVGHOF-UHFFFAOYSA-N -1 1 284.279 1.848 20 0 CDADMM CCOc1ccc(Oc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001590839234 1173526311 /nfs/dbraw/zinc/52/63/11/1173526311.db2.gz GYRUQXUFZVGHOF-UHFFFAOYSA-N -1 1 284.279 1.848 20 0 CDADMM CCc1[nH]nc(NCc2ccc(-c3nnn[n-]3)o2)c1C ZINC001590871351 1173534586 /nfs/dbraw/zinc/53/45/86/1173534586.db2.gz ZWJFDYNTCUINIL-UHFFFAOYSA-N -1 1 273.300 1.666 20 0 CDADMM CCc1[nH]nc(NCc2ccc(-c3nn[n-]n3)o2)c1C ZINC001590871351 1173534590 /nfs/dbraw/zinc/53/45/90/1173534590.db2.gz ZWJFDYNTCUINIL-UHFFFAOYSA-N -1 1 273.300 1.666 20 0 CDADMM CC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001590868572 1173534614 /nfs/dbraw/zinc/53/46/14/1173534614.db2.gz BKNVOWOTFPIZJG-NSHDSACASA-N -1 1 281.323 1.642 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N(CC(C)(C)C)OC)n1 ZINC001590904998 1173537921 /nfs/dbraw/zinc/53/79/21/1173537921.db2.gz QTWFCCRNDZPMEJ-UHFFFAOYSA-N -1 1 291.359 1.633 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N(CC(C)(C)C)OC)n1 ZINC001590904998 1173537929 /nfs/dbraw/zinc/53/79/29/1173537929.db2.gz QTWFCCRNDZPMEJ-UHFFFAOYSA-N -1 1 291.359 1.633 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCC23CCC3)n1 ZINC001590906315 1173539318 /nfs/dbraw/zinc/53/93/18/1173539318.db2.gz FHONGHOYTXZLAJ-UHFFFAOYSA-N -1 1 285.355 1.742 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCC23CCC3)n1 ZINC001590906315 1173539324 /nfs/dbraw/zinc/53/93/24/1173539324.db2.gz FHONGHOYTXZLAJ-UHFFFAOYSA-N -1 1 285.355 1.742 20 0 CDADMM CCc1nc(N[C@H](CC)C(F)F)cc(-c2nnn[n-]2)n1 ZINC001590917240 1173542352 /nfs/dbraw/zinc/54/23/52/1173542352.db2.gz PCRCQIDDXWWMIY-ZCFIWIBFSA-N -1 1 283.286 1.675 20 0 CDADMM CCc1nc(N[C@H](CC)C(F)F)cc(-c2nn[n-]n2)n1 ZINC001590917240 1173542359 /nfs/dbraw/zinc/54/23/59/1173542359.db2.gz PCRCQIDDXWWMIY-ZCFIWIBFSA-N -1 1 283.286 1.675 20 0 CDADMM CO[C@](C)([C@@H](C)Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001591318600 1173604916 /nfs/dbraw/zinc/60/49/16/1173604916.db2.gz SZSDYEXCGCIHHL-AMIZOPFISA-N -1 1 289.343 1.272 20 0 CDADMM CO[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)o1)CC(C)C ZINC001591330770 1173614654 /nfs/dbraw/zinc/61/46/54/1173614654.db2.gz VSPWZBOUXRVFFR-VIFPVBQESA-N -1 1 293.327 1.251 20 0 CDADMM CO[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)o1)CC(C)C ZINC001591330770 1173614656 /nfs/dbraw/zinc/61/46/56/1173614656.db2.gz VSPWZBOUXRVFFR-VIFPVBQESA-N -1 1 293.327 1.251 20 0 CDADMM COC[C@H](C)CCOC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591373741 1173632775 /nfs/dbraw/zinc/63/27/75/1173632775.db2.gz MRERTZCAQLVUOM-MRVPVSSYSA-N -1 1 280.284 1.289 20 0 CDADMM COC[C@H](C)CCOC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591373741 1173632778 /nfs/dbraw/zinc/63/27/78/1173632778.db2.gz MRERTZCAQLVUOM-MRVPVSSYSA-N -1 1 280.284 1.289 20 0 CDADMM COC[C@@H](C)CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591373436 1173634390 /nfs/dbraw/zinc/63/43/90/1173634390.db2.gz HHQUMNOPAZGZSG-QMMMGPOBSA-N -1 1 293.302 1.018 20 0 CDADMM COC[C@@H](C)CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591373436 1173634394 /nfs/dbraw/zinc/63/43/94/1173634394.db2.gz HHQUMNOPAZGZSG-QMMMGPOBSA-N -1 1 293.302 1.018 20 0 CDADMM CO[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001591472957 1173659279 /nfs/dbraw/zinc/65/92/79/1173659279.db2.gz NOPGOEQIYAEUES-OCAPTIKFSA-N -1 1 293.352 1.083 20 0 CDADMM CO[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001591472957 1173659282 /nfs/dbraw/zinc/65/92/82/1173659282.db2.gz NOPGOEQIYAEUES-OCAPTIKFSA-N -1 1 293.352 1.083 20 0 CDADMM COc1ccc(F)cc1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001591607053 1173673440 /nfs/dbraw/zinc/67/34/40/1173673440.db2.gz VBYUQJNWCJCGFZ-UHFFFAOYSA-N -1 1 289.274 1.350 20 0 CDADMM COc1ccc(F)cc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001591607053 1173673442 /nfs/dbraw/zinc/67/34/42/1173673442.db2.gz VBYUQJNWCJCGFZ-UHFFFAOYSA-N -1 1 289.274 1.350 20 0 CDADMM COc1cccc(CNc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001591639786 1173676711 /nfs/dbraw/zinc/67/67/11/1173676711.db2.gz QRKLLRYBTBXDPJ-UHFFFAOYSA-N -1 1 271.284 1.211 20 0 CDADMM COc1cccc(CNc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001591639786 1173676714 /nfs/dbraw/zinc/67/67/14/1173676714.db2.gz QRKLLRYBTBXDPJ-UHFFFAOYSA-N -1 1 271.284 1.211 20 0 CDADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001591753221 1173697063 /nfs/dbraw/zinc/69/70/63/1173697063.db2.gz JPIIVUFZOIJBRS-LURQLKTLSA-N -1 1 257.301 1.113 20 0 CDADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001591753221 1173697067 /nfs/dbraw/zinc/69/70/67/1173697067.db2.gz JPIIVUFZOIJBRS-LURQLKTLSA-N -1 1 257.301 1.113 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCC[C@H]2C)n1 ZINC001591893059 1173742377 /nfs/dbraw/zinc/74/23/77/1173742377.db2.gz YOYXOPQKQPOGBX-SCZZXKLOSA-N -1 1 273.344 1.956 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCC[C@H]2C)n1 ZINC001591893059 1173742381 /nfs/dbraw/zinc/74/23/81/1173742381.db2.gz YOYXOPQKQPOGBX-SCZZXKLOSA-N -1 1 273.344 1.956 20 0 CDADMM Cc1c([C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)cnn1C ZINC001591890551 1173742819 /nfs/dbraw/zinc/74/28/19/1173742819.db2.gz AVLPMNJGHDEAOM-QMMMGPOBSA-N -1 1 299.342 1.180 20 0 CDADMM Cc1c([C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)cnn1C ZINC001591890551 1173742824 /nfs/dbraw/zinc/74/28/24/1173742824.db2.gz AVLPMNJGHDEAOM-QMMMGPOBSA-N -1 1 299.342 1.180 20 0 CDADMM Cc1cc(CNC(=O)c2coc(-c3nnn[n-]3)c2)ccn1 ZINC001591966992 1173759078 /nfs/dbraw/zinc/75/90/78/1173759078.db2.gz MXGGNJVZAFCFCP-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1cc(CNC(=O)c2coc(-c3nn[n-]n3)c2)ccn1 ZINC001591966992 1173759083 /nfs/dbraw/zinc/75/90/83/1173759083.db2.gz MXGGNJVZAFCFCP-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1cc(N2CC[C@H]3COC[C@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001592005095 1173772088 /nfs/dbraw/zinc/77/20/88/1173772088.db2.gz RLPVUYWXIVOFQU-WDEREUQCSA-N -1 1 286.339 1.043 20 0 CDADMM Cc1cc(N2CC[C@H]3COC[C@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001592005095 1173772093 /nfs/dbraw/zinc/77/20/93/1173772093.db2.gz RLPVUYWXIVOFQU-WDEREUQCSA-N -1 1 286.339 1.043 20 0 CDADMM Cc1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)c[nH]c1=O ZINC001592032432 1173775774 /nfs/dbraw/zinc/77/57/74/1173775774.db2.gz ZMBRYILURUILOR-UHFFFAOYSA-N -1 1 286.251 1.121 20 0 CDADMM Cc1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)c[nH]c1=O ZINC001592032432 1173775781 /nfs/dbraw/zinc/77/57/81/1173775781.db2.gz ZMBRYILURUILOR-UHFFFAOYSA-N -1 1 286.251 1.121 20 0 CDADMM Cc1cc(N[C@@H](C)CC[S@](C)=O)nc(-c2nnn[n-]2)c1 ZINC001592035165 1173779974 /nfs/dbraw/zinc/77/99/74/1173779974.db2.gz YOZPNWNCJKXGNV-LXGOIASLSA-N -1 1 294.384 1.139 20 0 CDADMM Cc1cc(N[C@@H](C)CC[S@](C)=O)nc(-c2nn[n-]n2)c1 ZINC001592035165 1173779980 /nfs/dbraw/zinc/77/99/80/1173779980.db2.gz YOZPNWNCJKXGNV-LXGOIASLSA-N -1 1 294.384 1.139 20 0 CDADMM Cc1cc(NCC2CC=CC2)cc(-c2nnn[n-]2)n1 ZINC001592043394 1173783425 /nfs/dbraw/zinc/78/34/25/1173783425.db2.gz FMPNSIAIPBMEMF-UHFFFAOYSA-N -1 1 256.313 1.948 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@@H](CF)C1 ZINC001592110724 1173802865 /nfs/dbraw/zinc/80/28/65/1173802865.db2.gz UKAHSNNSQAEWGX-VIFPVBQESA-N -1 1 262.292 1.366 20 0 CDADMM Cc1ccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)c(C)c1 ZINC001592130224 1173807510 /nfs/dbraw/zinc/80/75/10/1173807510.db2.gz CUEUPCUPODPMJJ-UHFFFAOYSA-N -1 1 283.295 1.459 20 0 CDADMM Cc1ccc(N2CCC[C@@](C)(F)C2)nc1-c1nnn[n-]1 ZINC001592178224 1173825900 /nfs/dbraw/zinc/82/59/00/1173825900.db2.gz UYVJQEXYUOBTLS-CYBMUJFWSA-N -1 1 276.319 1.899 20 0 CDADMM Cc1ccc(N2CCC[C@@](C)(F)C2)nc1-c1nn[n-]n1 ZINC001592178224 1173825909 /nfs/dbraw/zinc/82/59/09/1173825909.db2.gz UYVJQEXYUOBTLS-CYBMUJFWSA-N -1 1 276.319 1.899 20 0 CDADMM Cc1ccc(N2CCC[C@@](C)(O)CC2)nc1-c1nnn[n-]1 ZINC001592177798 1173826195 /nfs/dbraw/zinc/82/61/95/1173826195.db2.gz KHBKBVBIFVJOGF-CQSZACIVSA-N -1 1 288.355 1.311 20 0 CDADMM Cc1ccc(N2CCC[C@@](C)(O)CC2)nc1-c1nn[n-]n1 ZINC001592177798 1173826201 /nfs/dbraw/zinc/82/62/01/1173826201.db2.gz KHBKBVBIFVJOGF-CQSZACIVSA-N -1 1 288.355 1.311 20 0 CDADMM Cc1ccc(N[C@@H](C)CC(C)(C)O)c(-c2nnn[n-]2)n1 ZINC001592183972 1173827904 /nfs/dbraw/zinc/82/79/04/1173827904.db2.gz MYTLTXCEQVMCOC-VIFPVBQESA-N -1 1 276.344 1.532 20 0 CDADMM Cc1ccc(N[C@@H](C)CC(C)(C)O)c(-c2nn[n-]n2)n1 ZINC001592183972 1173827907 /nfs/dbraw/zinc/82/79/07/1173827907.db2.gz MYTLTXCEQVMCOC-VIFPVBQESA-N -1 1 276.344 1.532 20 0 CDADMM Cc1ccc(NC[C@@](C)(O)C(C)C)c(-c2nnn[n-]2)n1 ZINC001592183770 1173827984 /nfs/dbraw/zinc/82/79/84/1173827984.db2.gz XAENFXISMVSKIA-CYBMUJFWSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1ccc(NC[C@@](C)(O)C(C)C)c(-c2nn[n-]n2)n1 ZINC001592183770 1173827985 /nfs/dbraw/zinc/82/79/85/1173827985.db2.gz XAENFXISMVSKIA-CYBMUJFWSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1ccc(N[C@H]2CCC[C@@H]2CCO)nc1-c1nnn[n-]1 ZINC001592184312 1173828024 /nfs/dbraw/zinc/82/80/24/1173828024.db2.gz RBKNVOCFTBQDBR-MNOVXSKESA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(N[C@H]2CCC[C@@H]2CCO)nc1-c1nn[n-]n1 ZINC001592184312 1173828027 /nfs/dbraw/zinc/82/80/27/1173828027.db2.gz RBKNVOCFTBQDBR-MNOVXSKESA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccccc1CC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592254157 1173835789 /nfs/dbraw/zinc/83/57/89/1173835789.db2.gz VYOJAXPCKBZGSD-UHFFFAOYSA-N -1 1 294.318 1.751 20 0 CDADMM Cc1ccccc1CC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592254157 1173835790 /nfs/dbraw/zinc/83/57/90/1173835790.db2.gz VYOJAXPCKBZGSD-UHFFFAOYSA-N -1 1 294.318 1.751 20 0 CDADMM Cc1ccncc1[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001592277109 1173843639 /nfs/dbraw/zinc/84/36/39/1173843639.db2.gz IMBPLHZLZDVIAA-SECBINFHSA-N -1 1 282.311 1.533 20 0 CDADMM Cc1ccncc1[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001592277109 1173843643 /nfs/dbraw/zinc/84/36/43/1173843643.db2.gz IMBPLHZLZDVIAA-SECBINFHSA-N -1 1 282.311 1.533 20 0 CDADMM Cc1ccoc1CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001592283569 1173845346 /nfs/dbraw/zinc/84/53/46/1173845346.db2.gz HYKYMYMLBZJICC-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1ccoc1CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001592283569 1173845349 /nfs/dbraw/zinc/84/53/49/1173845349.db2.gz HYKYMYMLBZJICC-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1csc([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001592313412 1173852721 /nfs/dbraw/zinc/85/27/21/1173852721.db2.gz ROTITCOPDHUMEO-SSDOTTSWSA-N -1 1 288.340 1.017 20 0 CDADMM Cc1[nH]nc(NCc2cc(F)cc(F)c2)c1-c1nnn[n-]1 ZINC001592330564 1173856066 /nfs/dbraw/zinc/85/60/66/1173856066.db2.gz JTQRFSGSKJWGMJ-UHFFFAOYSA-N -1 1 291.265 1.789 20 0 CDADMM Cc1[nH]nc(NCc2cc(F)cc(F)c2)c1-c1nn[n-]n1 ZINC001592330564 1173856069 /nfs/dbraw/zinc/85/60/69/1173856069.db2.gz JTQRFSGSKJWGMJ-UHFFFAOYSA-N -1 1 291.265 1.789 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@@H](C)C2CCCC2)c1-c1nn[n-]n1 ZINC001592328804 1173857365 /nfs/dbraw/zinc/85/73/65/1173857365.db2.gz ZYELDWWOBRNTFX-ZETCQYMHSA-N -1 1 289.343 1.663 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@H]2CCO[C@@H]2C)c1C ZINC001592339545 1173861696 /nfs/dbraw/zinc/86/16/96/1173861696.db2.gz OWAUSFQJBXYRMM-NXEZZACHSA-N -1 1 262.317 1.105 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@H]2CCO[C@@H]2C)c1C ZINC001592339545 1173861700 /nfs/dbraw/zinc/86/17/00/1173861700.db2.gz OWAUSFQJBXYRMM-NXEZZACHSA-N -1 1 262.317 1.105 20 0 CDADMM Cc1nc(N[C@@H](C)Cc2cccnc2)cc(-c2nnn[n-]2)n1 ZINC001592381478 1173873427 /nfs/dbraw/zinc/87/34/27/1173873427.db2.gz YZSMEKFLUNZRBM-VIFPVBQESA-N -1 1 296.338 1.403 20 0 CDADMM Cc1nc(N[C@@H](C)Cc2cccnc2)cc(-c2nn[n-]n2)n1 ZINC001592381478 1173873431 /nfs/dbraw/zinc/87/34/31/1173873431.db2.gz YZSMEKFLUNZRBM-VIFPVBQESA-N -1 1 296.338 1.403 20 0 CDADMM Cc1ncccc1C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001592426747 1173888127 /nfs/dbraw/zinc/88/81/27/1173888127.db2.gz OXGIRKXJBLSWJB-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1ncccc1C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001592426747 1173888133 /nfs/dbraw/zinc/88/81/33/1173888133.db2.gz OXGIRKXJBLSWJB-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1nnsc1COc1ccc(F)nc1-c1nn[n-]n1 ZINC001592453724 1173895190 /nfs/dbraw/zinc/89/51/90/1173895190.db2.gz GCSCDKHDGYJHPC-UHFFFAOYSA-N -1 1 293.287 1.140 20 0 CDADMM Cc1nsc(S[C@@H](C)CCO)c1-c1nnn[n-]1 ZINC001592494356 1173904599 /nfs/dbraw/zinc/90/45/99/1173904599.db2.gz LARVEVCKJNVGIR-YFKPBYRVSA-N -1 1 271.371 1.495 20 0 CDADMM Cc1nsc(S[C@@H](C)CCO)c1-c1nn[n-]n1 ZINC001592494356 1173904602 /nfs/dbraw/zinc/90/46/02/1173904602.db2.gz LARVEVCKJNVGIR-YFKPBYRVSA-N -1 1 271.371 1.495 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC001592500562 1173906967 /nfs/dbraw/zinc/90/69/67/1173906967.db2.gz XCVXMZSQEHCVLD-ONGXEEELSA-N -1 1 287.323 1.783 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC001592500562 1173906976 /nfs/dbraw/zinc/90/69/76/1173906976.db2.gz XCVXMZSQEHCVLD-ONGXEEELSA-N -1 1 287.323 1.783 20 0 CDADMM Fc1cccc(OC[C@@H]2C[C@@]23CCOC3)c1-c1nnn[n-]1 ZINC001592658567 1173959029 /nfs/dbraw/zinc/95/90/29/1173959029.db2.gz VEEBUBDZZQGDII-LKFCYVNXSA-N -1 1 290.298 1.811 20 0 CDADMM Fc1cccc(OC[C@@H]2C[C@@]23CCOC3)c1-c1nn[n-]n1 ZINC001592658567 1173959038 /nfs/dbraw/zinc/95/90/38/1173959038.db2.gz VEEBUBDZZQGDII-LKFCYVNXSA-N -1 1 290.298 1.811 20 0 CDADMM NC(CC1CC1)=[NH+]OCc1cncc(-c2nn[nH]n2)c1 ZINC001592739923 1173983740 /nfs/dbraw/zinc/98/37/40/1173983740.db2.gz VTRWMKARBZCAKL-UHFFFAOYSA-N -1 1 273.300 1.060 20 0 CDADMM O=C(CC[C@H]1CCCO1)OCc1ccc(-c2nnn[n-]2)o1 ZINC001592831587 1173994630 /nfs/dbraw/zinc/99/46/30/1173994630.db2.gz VXFHVSBRFDWQCQ-SECBINFHSA-N -1 1 292.295 1.462 20 0 CDADMM O=C(CC[C@H]1CCCO1)OCc1ccc(-c2nn[n-]n2)o1 ZINC001592831587 1173994635 /nfs/dbraw/zinc/99/46/35/1173994635.db2.gz VXFHVSBRFDWQCQ-SECBINFHSA-N -1 1 292.295 1.462 20 0 CDADMM O=C(CCC1CC1)OCc1nc(-c2nnn[n-]2)cs1 ZINC001592829012 1173996098 /nfs/dbraw/zinc/99/60/98/1173996098.db2.gz ZRFFAUCQIUAMAQ-UHFFFAOYSA-N -1 1 279.325 1.557 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1CC=CCC1 ZINC001592914940 1174002320 /nfs/dbraw/zinc/00/23/20/1174002320.db2.gz INVAMTLNEWCFTH-LLVKDONJSA-N -1 1 284.323 1.029 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1CC=CCC1 ZINC001592914940 1174002323 /nfs/dbraw/zinc/00/23/23/1174002323.db2.gz INVAMTLNEWCFTH-LLVKDONJSA-N -1 1 284.323 1.029 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1C1CC1 ZINC001592913362 1174005034 /nfs/dbraw/zinc/00/50/34/1174005034.db2.gz DGQXRVIFIPRASY-ZDUSSCGKSA-N -1 1 298.350 1.205 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1C1CC1 ZINC001592913362 1174005039 /nfs/dbraw/zinc/00/50/39/1174005039.db2.gz DGQXRVIFIPRASY-ZDUSSCGKSA-N -1 1 298.350 1.205 20 0 CDADMM O=C(NC1CC=CC1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001592972634 1174011175 /nfs/dbraw/zinc/01/11/75/1174011175.db2.gz KZQASINWUWEKOA-UHFFFAOYSA-N -1 1 294.318 1.796 20 0 CDADMM O=C(NCC[C@@H]1CC1(F)F)c1csc(-c2nn[n-]n2)c1 ZINC001593060337 1174017357 /nfs/dbraw/zinc/01/73/57/1174017357.db2.gz PQUTZQWKXJWDDS-SSDOTTSWSA-N -1 1 299.306 1.703 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001593137217 1174024105 /nfs/dbraw/zinc/02/41/05/1174024105.db2.gz RDTGZDYPYYTUMY-UHFFFAOYSA-N -1 1 285.332 1.858 20 0 CDADMM O=C(OC[C@@H]1CCOC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593283584 1174048457 /nfs/dbraw/zinc/04/84/57/1174048457.db2.gz FTAUVTANWHSVBP-MRVPVSSYSA-N -1 1 292.270 1.199 20 0 CDADMM O=C(OC[C@@H]1CCOC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593283584 1174048461 /nfs/dbraw/zinc/04/84/61/1174048461.db2.gz FTAUVTANWHSVBP-MRVPVSSYSA-N -1 1 292.270 1.199 20 0 CDADMM O=C(OC[C@H]1CCC[C@H](O)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001593284869 1174051898 /nfs/dbraw/zinc/05/18/98/1174051898.db2.gz UYFJVBZHUXKDQL-IUCAKERBSA-N -1 1 292.295 1.168 20 0 CDADMM O=C(OCC1CCC(O)CC1)c1ccc(-c2nn[n-]n2)o1 ZINC001593285900 1174052159 /nfs/dbraw/zinc/05/21/59/1174052159.db2.gz ZPZYAXREECPFEM-UHFFFAOYSA-N -1 1 292.295 1.168 20 0 CDADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)C(F)=C1CCC1 ZINC001593297955 1174057107 /nfs/dbraw/zinc/05/71/07/1174057107.db2.gz TYZYDHMZTNFAQQ-UHFFFAOYSA-N -1 1 278.243 1.910 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)C(F)=C1CCC1 ZINC001593297955 1174057114 /nfs/dbraw/zinc/05/71/14/1174057114.db2.gz TYZYDHMZTNFAQQ-UHFFFAOYSA-N -1 1 278.243 1.910 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@H]1C[C@@H]1C1CC1 ZINC001593301116 1174060570 /nfs/dbraw/zinc/06/05/70/1174060570.db2.gz BTWQDXVECRDJOO-MNOVXSKESA-N -1 1 285.307 1.351 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@H]1C[C@@H]1C1CC1 ZINC001593301116 1174060576 /nfs/dbraw/zinc/06/05/76/1174060576.db2.gz BTWQDXVECRDJOO-MNOVXSKESA-N -1 1 285.307 1.351 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC=C(Cl)C1 ZINC001593348586 1174068312 /nfs/dbraw/zinc/06/83/12/1174068312.db2.gz GGTQTFRKVXBXLZ-UHFFFAOYSA-N -1 1 290.714 1.230 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC=C(Cl)C1 ZINC001593348586 1174068317 /nfs/dbraw/zinc/06/83/17/1174068317.db2.gz GGTQTFRKVXBXLZ-UHFFFAOYSA-N -1 1 290.714 1.230 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC2(C1)CCCCC2 ZINC001593368360 1174072056 /nfs/dbraw/zinc/07/20/56/1174072056.db2.gz ZTZFWNOAKXPHJZ-UHFFFAOYSA-N -1 1 287.323 1.866 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC2(C1)CCCCC2 ZINC001593368360 1174072061 /nfs/dbraw/zinc/07/20/61/1174072061.db2.gz ZTZFWNOAKXPHJZ-UHFFFAOYSA-N -1 1 287.323 1.866 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1ccc(Cl)cn1 ZINC001593496416 1174087686 /nfs/dbraw/zinc/08/76/86/1174087686.db2.gz LFWBINDRWFAHMS-UHFFFAOYSA-N -1 1 288.698 1.125 20 0 CDADMM c1c(-c2nn[n-]n2)nnn1CCSC1CCCCC1 ZINC001593543769 1174111442 /nfs/dbraw/zinc/11/14/42/1174111442.db2.gz YGNINUTYNVTIJG-UHFFFAOYSA-N -1 1 279.373 1.524 20 0 CDADMM [O-]c1ccc(-c2ncnn2CC2CC2)cc1-c1nn[nH]n1 ZINC001593539627 1174111521 /nfs/dbraw/zinc/11/15/21/1174111521.db2.gz ZBRGRLCVOQEQAY-UHFFFAOYSA-N -1 1 283.295 1.241 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N(C[C@H]2CCOC2)C2CC2)c1 ZINC001593550494 1174120736 /nfs/dbraw/zinc/12/07/36/1174120736.db2.gz WSLQPBZBXJFXEZ-SNVBAGLBSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N(C[C@H]2CCOC2)C2CC2)c1 ZINC001593550494 1174120739 /nfs/dbraw/zinc/12/07/39/1174120739.db2.gz WSLQPBZBXJFXEZ-SNVBAGLBSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(-c2nc([C@@H]3CCCO3)no2)c1 ZINC001593549978 1174120872 /nfs/dbraw/zinc/12/08/72/1174120872.db2.gz JPDVHKODLDNJCG-VIFPVBQESA-N -1 1 285.267 1.163 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(-c2nc([C@@H]3CCCO3)no2)c1 ZINC001593549978 1174120876 /nfs/dbraw/zinc/12/08/76/1174120876.db2.gz JPDVHKODLDNJCG-VIFPVBQESA-N -1 1 285.267 1.163 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC[C@@H]1C[C@H]1C1CCCC1 ZINC001593550923 1174123374 /nfs/dbraw/zinc/12/33/74/1174123374.db2.gz DWGZKYXHYQZTNC-QWRGUYRKSA-N -1 1 285.355 1.895 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC[C@@H]1C[C@H]1C1CCCC1 ZINC001593550923 1174123376 /nfs/dbraw/zinc/12/33/76/1174123376.db2.gz DWGZKYXHYQZTNC-QWRGUYRKSA-N -1 1 285.355 1.895 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1N[C@H]1CCO[C@@H](C2CC2)C1 ZINC001593550845 1174124513 /nfs/dbraw/zinc/12/45/13/1174124513.db2.gz CNTOOMDBJNEEPX-GXSJLCMTSA-N -1 1 287.327 1.026 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1N[C@H]1CCO[C@@H](C2CC2)C1 ZINC001593550845 1174124517 /nfs/dbraw/zinc/12/45/17/1174124517.db2.gz CNTOOMDBJNEEPX-GXSJLCMTSA-N -1 1 287.327 1.026 20 0 CDADMM c1c[nH]c([C@H]2CCCN2c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001593558316 1174133049 /nfs/dbraw/zinc/13/30/49/1174133049.db2.gz CAUWXQWMUMVCGT-LLVKDONJSA-N -1 1 282.311 1.326 20 0 CDADMM c1c[nH]c([C@H]2CCCN2c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001593558316 1174133054 /nfs/dbraw/zinc/13/30/54/1174133054.db2.gz CAUWXQWMUMVCGT-LLVKDONJSA-N -1 1 282.311 1.326 20 0 CDADMM c1cc(COc2cnc(-c3nn[n-]n3)nc2)cc2c1COC2 ZINC001593565933 1174139923 /nfs/dbraw/zinc/13/99/23/1174139923.db2.gz XWIKVZJJIGRUCX-UHFFFAOYSA-N -1 1 296.290 1.266 20 0 CDADMM c1cn(Cc2ccccc2OC2CC2)c(-c2nnn[n-]2)n1 ZINC001593576985 1174145347 /nfs/dbraw/zinc/14/53/47/1174145347.db2.gz PKKDYVSOICPBHX-UHFFFAOYSA-N -1 1 282.307 1.653 20 0 CDADMM c1cn(Cc2ccccc2OC2CC2)c(-c2nn[n-]n2)n1 ZINC001593576985 1174145355 /nfs/dbraw/zinc/14/53/55/1174145355.db2.gz PKKDYVSOICPBHX-UHFFFAOYSA-N -1 1 282.307 1.653 20 0 CDADMM c1ccc2c(c1)CO[C@H]2CNc1nccnc1-c1nnn[n-]1 ZINC001593579404 1174145752 /nfs/dbraw/zinc/14/57/52/1174145752.db2.gz GELSHNXDFSSQII-NSHDSACASA-N -1 1 295.306 1.340 20 0 CDADMM c1ccc2c(c1)CO[C@H]2CNc1nccnc1-c1nn[n-]n1 ZINC001593579404 1174145757 /nfs/dbraw/zinc/14/57/57/1174145757.db2.gz GELSHNXDFSSQII-NSHDSACASA-N -1 1 295.306 1.340 20 0 CDADMM c1cnn(CCSCc2ccc(-c3nnn[n-]3)o2)c1 ZINC001593589726 1174155232 /nfs/dbraw/zinc/15/52/32/1174155232.db2.gz NHFVPIHJSWKZQM-UHFFFAOYSA-N -1 1 276.325 1.590 20 0 CDADMM c1cnn(CCSCc2ccc(-c3nn[n-]n3)o2)c1 ZINC001593589726 1174155237 /nfs/dbraw/zinc/15/52/37/1174155237.db2.gz NHFVPIHJSWKZQM-UHFFFAOYSA-N -1 1 276.325 1.590 20 0 CDADMM c1sc(-c2nn[n-]n2)cc1-c1nc([C@@H]2CCCO2)no1 ZINC001593594010 1174161659 /nfs/dbraw/zinc/16/16/59/1174161659.db2.gz LSVPYWQSHKUBNQ-ZETCQYMHSA-N -1 1 290.308 1.830 20 0 CDADMM Cc1c(Cl)c(CN[C@@H](CC2CC2)C(=O)[O-])nn1C ZINC001600014931 1174340733 /nfs/dbraw/zinc/34/07/33/1174340733.db2.gz KQANSKVYLRLORB-VIFPVBQESA-N -1 1 271.748 1.725 20 0 CDADMM Cc1cc(CN[C@@H](C)c2cncc(C(=O)[O-])c2)n(C)n1 ZINC001600203671 1174406542 /nfs/dbraw/zinc/40/65/42/1174406542.db2.gz SCNUKZVODVGXGL-JTQLQIEISA-N -1 1 274.324 1.673 20 0 CDADMM Cc1ccc(C)c(NC(=O)CN2CC3CC2(C(=O)[O-])C3)c1 ZINC001600389091 1174460715 /nfs/dbraw/zinc/46/07/15/1174460715.db2.gz ZMMBNJSICZDCDC-UHFFFAOYSA-N -1 1 288.347 1.791 20 0 CDADMM Cc1ccsc1[C@H](CO)NCc1ccc(C(=O)[O-])cn1 ZINC001600609207 1174526788 /nfs/dbraw/zinc/52/67/88/1174526788.db2.gz PHDXBYSZVWZOBY-LBPRGKRZSA-N -1 1 292.360 1.973 20 0 CDADMM Cc1cnc(C(C)(C)NC[C@@](C)(O)C(=O)[O-])s1 ZINC001600618137 1174531226 /nfs/dbraw/zinc/53/12/26/1174531226.db2.gz ZAPOKVJOAQUGEC-LLVKDONJSA-N -1 1 258.343 1.112 20 0 CDADMM Cc1[nH+]c(N2C[C@@H](C)C[C@H](C(=O)[O-])C2)ccc1C(=O)[O-] ZINC001600707875 1174575638 /nfs/dbraw/zinc/57/56/38/1174575638.db2.gz AGKZAUBQQWWEFD-WPRPVWTQSA-N -1 1 278.308 1.635 20 0 CDADMM Cc1oc(C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001600845936 1174639018 /nfs/dbraw/zinc/63/90/18/1174639018.db2.gz SBFUJRJYGWKAIE-PELKAZGASA-N -1 1 281.308 1.829 20 0 CDADMM Cc1oc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1C(=O)[O-] ZINC001600845344 1174639979 /nfs/dbraw/zinc/63/99/79/1174639979.db2.gz LFTKTSYHAKVUGI-UFGOTCBOSA-N -1 1 292.335 1.372 20 0 CDADMM Cc1occc1C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001600860232 1174646572 /nfs/dbraw/zinc/64/65/72/1174646572.db2.gz BVIRNBKMGVEJGI-JTQLQIEISA-N -1 1 280.324 1.209 20 0 CDADMM CN1CC(C(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)=NC1=O ZINC001600931083 1174668477 /nfs/dbraw/zinc/66/84/77/1174668477.db2.gz HMXPTRGWSSBQEK-CQSZACIVSA-N -1 1 295.339 1.279 20 0 CDADMM Cn1cc(CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cn1 ZINC001600953140 1174676855 /nfs/dbraw/zinc/67/68/55/1174676855.db2.gz NJDUVNPBRLPBQC-ZJUUUORDSA-N -1 1 291.273 1.505 20 0 CDADMM Cn1cc(CN2CC(Cc3ccco3)C2)cc1C(=O)[O-] ZINC001600951725 1174677186 /nfs/dbraw/zinc/67/71/86/1174677186.db2.gz KBZJKBZQIAITBF-UHFFFAOYSA-N -1 1 274.320 1.991 20 0 CDADMM Cn1ccc(C2CCN(Cc3cc(C(=O)[O-])no3)CC2)n1 ZINC001600973674 1174685179 /nfs/dbraw/zinc/68/51/79/1174685179.db2.gz CFFLECLBBQUVEI-UHFFFAOYSA-N -1 1 290.323 1.486 20 0 CDADMM Cn1nc(C2CC2)nc1CNC1(CC(=O)[O-])CCC1 ZINC001601008548 1174700937 /nfs/dbraw/zinc/70/09/37/1174700937.db2.gz XSTNIRHYVAUGRO-UHFFFAOYSA-N -1 1 264.329 1.180 20 0 CDADMM Cn1[nH]c(=O)c2c1CN([C@H](C(=O)[O-])c1ccsc1)CC2 ZINC001601016070 1174703617 /nfs/dbraw/zinc/70/36/17/1174703617.db2.gz QDKDUVUFRZSPTJ-NSHDSACASA-N -1 1 293.348 1.371 20 0 CDADMM N[C@H](Cc1cc2ccccc2o1)C(=O)NCCCC(=O)[O-] ZINC001601176362 1174774460 /nfs/dbraw/zinc/77/44/60/1174774460.db2.gz OXEBALUWUMDLFH-GFCCVEGCSA-N -1 1 290.319 1.284 20 0 CDADMM O=C([O-])c1nc(NC(=O)Cc2nc[nH]n2)sc1C1CC1 ZINC001601376153 1174851176 /nfs/dbraw/zinc/85/11/76/1174851176.db2.gz LHIQHTDVLTZZIQ-UHFFFAOYSA-N -1 1 293.308 1.018 20 0 CDADMM O=S(=O)([N-]C1(C(F)(F)F)CC1)c1cccnc1 ZINC000114136683 1174877003 /nfs/dbraw/zinc/87/70/03/1174877003.db2.gz VNEPICNAOJCDQU-UHFFFAOYSA-N -1 1 266.244 1.455 20 0 CDADMM O=C([O-])[C@H](NCc1cnn2c1CCC2)c1cccc(O)c1 ZINC001601676690 1174942192 /nfs/dbraw/zinc/94/21/92/1174942192.db2.gz GISXYIWRTAEYKO-CQSZACIVSA-N -1 1 287.319 1.450 20 0 CDADMM O=C([O-])[C@H]1CC12CCN(C(=O)CCc1cnc[nH]1)CC2 ZINC001601771761 1174999655 /nfs/dbraw/zinc/99/96/55/1174999655.db2.gz MGPMBCGVZCVNKD-LLVKDONJSA-N -1 1 277.324 1.056 20 0 CDADMM O=C([O-])[C@@H]1CC[C@@H](NCc2nnc(C3CC3)s2)C1 ZINC001601796428 1175010503 /nfs/dbraw/zinc/01/05/03/1175010503.db2.gz SSXSSBCAKVDDEC-RKDXNWHRSA-N -1 1 267.354 1.758 20 0 CDADMM O=C([O-])[C@H]1c2ccccc2OCCN1C(=O)c1cnc[nH]1 ZINC001601873484 1175044739 /nfs/dbraw/zinc/04/47/39/1175044739.db2.gz MFWZEHGNAHYDKM-GFCCVEGCSA-N -1 1 287.275 1.070 20 0 CDADMM O=C([O-])C[C@]1(NCc2cc(F)ccc2F)CCOC1 ZINC001601935913 1175073372 /nfs/dbraw/zinc/07/33/72/1175073372.db2.gz DUXLDJVNLDAHHP-CYBMUJFWSA-N -1 1 271.263 1.688 20 0 CDADMM O=C([O-])CC1(NCc2nnc3n2CCCC3)CCC1 ZINC001601937958 1175075018 /nfs/dbraw/zinc/07/50/18/1175075018.db2.gz NZZYGSIFWOSFJT-UHFFFAOYSA-N -1 1 264.329 1.101 20 0 CDADMM O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC001601974539 1175093079 /nfs/dbraw/zinc/09/30/79/1175093079.db2.gz HDVWXIHHXBZVKN-NSHDSACASA-N -1 1 280.324 1.932 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](C(F)(F)F)CN(Cc2cn[nH]c2)C1 ZINC001602219686 1175173875 /nfs/dbraw/zinc/17/38/75/1175173875.db2.gz UIRBKJVSLYDVGU-DTWKUNHWSA-N -1 1 277.246 1.495 20 0 CDADMM O=C([O-])c1cc(CN[C@@H]2COc3ccc(F)cc3C2)on1 ZINC001602259470 1175187637 /nfs/dbraw/zinc/18/76/37/1175187637.db2.gz VQVZKHNBKQYHBX-JTQLQIEISA-N -1 1 292.266 1.605 20 0 CDADMM O=C([O-])c1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)s1 ZINC001602317412 1175200172 /nfs/dbraw/zinc/20/01/72/1175200172.db2.gz QHCPUKVYPLJDKM-DTORHVGOSA-N -1 1 280.349 1.413 20 0 CDADMM O=C([O-])c1ccc(CN2CCC[C@H](n3ccnc3)C2)[nH]1 ZINC001602337697 1175211481 /nfs/dbraw/zinc/21/14/81/1175211481.db2.gz ANGPPGODHQYRSG-LBPRGKRZSA-N -1 1 274.324 1.747 20 0 CDADMM O=C([O-])c1ccc(CNCc2cc(=O)n3ccccc3n2)[nH]1 ZINC001602348084 1175219810 /nfs/dbraw/zinc/21/98/10/1175219810.db2.gz MTCDOKNWGPNOOE-UHFFFAOYSA-N -1 1 298.302 1.011 20 0 CDADMM O=C([O-])c1cnc(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)s1 ZINC001602520256 1175268891 /nfs/dbraw/zinc/26/88/91/1175268891.db2.gz JGAZJUVMZPMUIV-HBNTYKKESA-N -1 1 296.392 1.967 20 0 CDADMM O=C([O-])c1cnc(CNC[C@H](O)CC2CCCC2)s1 ZINC001602521381 1175270553 /nfs/dbraw/zinc/27/05/53/1175270553.db2.gz QTMJSUICFGNWSV-SNVBAGLBSA-N -1 1 284.381 1.872 20 0 CDADMM O=C([O-])c1cnoc1CN1CCC[C@@H](c2ncccn2)C1 ZINC001602547734 1175286990 /nfs/dbraw/zinc/28/69/90/1175286990.db2.gz XVVJFQVAEHZMMJ-SNVBAGLBSA-N -1 1 288.307 1.542 20 0 CDADMM O=C([O-])c1cnoc1CN(CCO)CCc1ccccc1 ZINC001602547373 1175287870 /nfs/dbraw/zinc/28/78/70/1175287870.db2.gz JMANTAPWMKDCDW-UHFFFAOYSA-N -1 1 290.319 1.410 20 0 CDADMM CC(C)(C)OC(=O)Oc1cccnc1-c1nnn[n-]1 ZINC001603098849 1175490334 /nfs/dbraw/zinc/49/03/34/1175490334.db2.gz HIACJTCFPBHHLB-UHFFFAOYSA-N -1 1 263.257 1.576 20 0 CDADMM CC(C)(C)OC(=O)Oc1cccnc1-c1nn[n-]n1 ZINC001603098849 1175490336 /nfs/dbraw/zinc/49/03/36/1175490336.db2.gz HIACJTCFPBHHLB-UHFFFAOYSA-N -1 1 263.257 1.576 20 0 CDADMM CC(C)(O)CCOC(=O)c1ccsc1-c1nnn[n-]1 ZINC001603171716 1175508939 /nfs/dbraw/zinc/50/89/39/1175508939.db2.gz VZAXZZDAZJYUNS-UHFFFAOYSA-N -1 1 282.325 1.246 20 0 CDADMM CC(C)(O)CCOC(=O)c1ccsc1-c1nn[n-]n1 ZINC001603171716 1175508945 /nfs/dbraw/zinc/50/89/45/1175508945.db2.gz VZAXZZDAZJYUNS-UHFFFAOYSA-N -1 1 282.325 1.246 20 0 CDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001603238706 1175522655 /nfs/dbraw/zinc/52/26/55/1175522655.db2.gz SYUZHZZNUNOFKQ-RNCFNFMXSA-N -1 1 289.343 1.221 20 0 CDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001603238706 1175522660 /nfs/dbraw/zinc/52/26/60/1175522660.db2.gz SYUZHZZNUNOFKQ-RNCFNFMXSA-N -1 1 289.343 1.221 20 0 CDADMM CC(C)C[C@@H](C)CC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001603259764 1175527537 /nfs/dbraw/zinc/52/75/37/1175527537.db2.gz OXSJCDNIZHJFOE-SECBINFHSA-N -1 1 291.359 1.611 20 0 CDADMM CC(C)C[C@@H](C)CC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001603259764 1175527545 /nfs/dbraw/zinc/52/75/45/1175527545.db2.gz OXSJCDNIZHJFOE-SECBINFHSA-N -1 1 291.359 1.611 20 0 CDADMM CC(C)O[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001603358729 1175548428 /nfs/dbraw/zinc/54/84/28/1175548428.db2.gz LNUSNVZATMYSIG-DTORHVGOSA-N -1 1 275.316 1.025 20 0 CDADMM CC(C)O[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001603358729 1175548432 /nfs/dbraw/zinc/54/84/32/1175548432.db2.gz LNUSNVZATMYSIG-DTORHVGOSA-N -1 1 275.316 1.025 20 0 CDADMM CC(C)(C)c1nc(COC(=O)[C@H]2CC[C@H]2C(=O)[O-])n[nH]1 ZINC001603551273 1175563963 /nfs/dbraw/zinc/56/39/63/1175563963.db2.gz BHYHBUXYZXRURF-SFYZADRCSA-N -1 1 281.312 1.256 20 0 CDADMM CC(C)(C)c1nnc(COC(=O)[C@H]2CC[C@H]2C(=O)[O-])[nH]1 ZINC001603551273 1175563969 /nfs/dbraw/zinc/56/39/69/1175563969.db2.gz BHYHBUXYZXRURF-SFYZADRCSA-N -1 1 281.312 1.256 20 0 CDADMM C[C@@H](c1ccccn1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001603739731 1175613557 /nfs/dbraw/zinc/61/35/57/1175613557.db2.gz XBIXTCBGVHQZGQ-VIFPVBQESA-N -1 1 282.311 1.249 20 0 CDADMM C[C@@H](c1ccccn1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001603739731 1175613560 /nfs/dbraw/zinc/61/35/60/1175613560.db2.gz XBIXTCBGVHQZGQ-VIFPVBQESA-N -1 1 282.311 1.249 20 0 CDADMM CC1(C)CC[C@@H](Oc2cccnc2-c2nnn[n-]2)C1=O ZINC001603772201 1175627289 /nfs/dbraw/zinc/62/72/89/1175627289.db2.gz MJDFFSDKRMIERL-SECBINFHSA-N -1 1 273.296 1.398 20 0 CDADMM CC1(C)CC[C@@H](Oc2cccnc2-c2nn[n-]n2)C1=O ZINC001603772201 1175627293 /nfs/dbraw/zinc/62/72/93/1175627293.db2.gz MJDFFSDKRMIERL-SECBINFHSA-N -1 1 273.296 1.398 20 0 CDADMM CC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CCS1 ZINC001603778857 1175629286 /nfs/dbraw/zinc/62/92/86/1175629286.db2.gz VNAUFSVKMLLNHY-UHFFFAOYSA-N -1 1 291.384 1.379 20 0 CDADMM CC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CCS1 ZINC001603778857 1175629293 /nfs/dbraw/zinc/62/92/93/1175629293.db2.gz VNAUFSVKMLLNHY-UHFFFAOYSA-N -1 1 291.384 1.379 20 0 CDADMM C[C@@]1(COC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C[C@H]1F ZINC001603808730 1175639118 /nfs/dbraw/zinc/63/91/18/1175639118.db2.gz SUZRRPLKHOBJJG-MFKMUULPSA-N -1 1 291.286 1.096 20 0 CDADMM C[C@@]1(COC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C[C@H]1F ZINC001603808730 1175639123 /nfs/dbraw/zinc/63/91/23/1175639123.db2.gz SUZRRPLKHOBJJG-MFKMUULPSA-N -1 1 291.286 1.096 20 0 CDADMM CC1(F)CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001603809971 1175639742 /nfs/dbraw/zinc/63/97/42/1175639742.db2.gz PDPZMZZXIOOUBS-UHFFFAOYSA-N -1 1 267.289 1.112 20 0 CDADMM CC1(F)CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001603809971 1175639745 /nfs/dbraw/zinc/63/97/45/1175639745.db2.gz PDPZMZZXIOOUBS-UHFFFAOYSA-N -1 1 267.289 1.112 20 0 CDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CC(F)(F)C1 ZINC001603820389 1175643444 /nfs/dbraw/zinc/64/34/44/1175643444.db2.gz IVRARJZSWPDPJN-UHFFFAOYSA-N -1 1 267.243 1.256 20 0 CDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CC(F)(F)C1 ZINC001603820389 1175643450 /nfs/dbraw/zinc/64/34/50/1175643450.db2.gz IVRARJZSWPDPJN-UHFFFAOYSA-N -1 1 267.243 1.256 20 0 CDADMM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCN1C(C)(C)C ZINC001603831805 1175646919 /nfs/dbraw/zinc/64/69/19/1175646919.db2.gz GDDZZXJINPMGPS-RYUDHWBXSA-N -1 1 284.400 1.817 20 0 CDADMM CC1=CCCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001603828772 1175647131 /nfs/dbraw/zinc/64/71/31/1175647131.db2.gz VAQOTWHAAICXLJ-UHFFFAOYSA-N -1 1 270.296 1.054 20 0 CDADMM CC1=CCCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001603828772 1175647135 /nfs/dbraw/zinc/64/71/35/1175647135.db2.gz VAQOTWHAAICXLJ-UHFFFAOYSA-N -1 1 270.296 1.054 20 0 CDADMM C[C@H]1CCC[C@H]1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001603891740 1175672080 /nfs/dbraw/zinc/67/20/80/1175672080.db2.gz JACJORPVGLVBQT-IONNQARKSA-N -1 1 277.353 1.847 20 0 CDADMM C[C@H]1CCC[C@H]1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001603891740 1175672083 /nfs/dbraw/zinc/67/20/83/1175672083.db2.gz JACJORPVGLVBQT-IONNQARKSA-N -1 1 277.353 1.847 20 0 CDADMM C[C@@H]1CCC[C@H]1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001603891743 1175673489 /nfs/dbraw/zinc/67/34/89/1175673489.db2.gz JACJORPVGLVBQT-VXNVDRBHSA-N -1 1 277.353 1.847 20 0 CDADMM C[C@@H]1CCC[C@H]1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001603891743 1175673495 /nfs/dbraw/zinc/67/34/95/1175673495.db2.gz JACJORPVGLVBQT-VXNVDRBHSA-N -1 1 277.353 1.847 20 0 CDADMM C[C@@H]1CN(C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)[C@H]1C ZINC001603930487 1175687256 /nfs/dbraw/zinc/68/72/56/1175687256.db2.gz UIQBCJTYKZFVGI-RQJHMYQMSA-N -1 1 293.277 1.625 20 0 CDADMM C[C@@H]1CN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)[C@H]1C ZINC001603930487 1175687260 /nfs/dbraw/zinc/68/72/60/1175687260.db2.gz UIQBCJTYKZFVGI-RQJHMYQMSA-N -1 1 293.277 1.625 20 0 CDADMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)CC2(CCC2)O1 ZINC001603941032 1175692832 /nfs/dbraw/zinc/69/28/32/1175692832.db2.gz XTSAGIZCHFOHBY-JTQLQIEISA-N -1 1 286.339 1.410 20 0 CDADMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)CC2(CCC2)O1 ZINC001603941032 1175692841 /nfs/dbraw/zinc/69/28/41/1175692841.db2.gz XTSAGIZCHFOHBY-JTQLQIEISA-N -1 1 286.339 1.410 20 0 CDADMM CC[C@@H](C)C[C@H](C)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001603999713 1175715235 /nfs/dbraw/zinc/71/52/35/1175715235.db2.gz HCHHDLPBYDHYBW-BDAKNGLRSA-N -1 1 261.333 1.893 20 0 CDADMM CC[C@@H](C)C[C@H](C)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001603999713 1175715244 /nfs/dbraw/zinc/71/52/44/1175715244.db2.gz HCHHDLPBYDHYBW-BDAKNGLRSA-N -1 1 261.333 1.893 20 0 CDADMM CC(C)c1nc(CNCc2ccc(C(=O)[O-])cn2)n[nH]1 ZINC001604020972 1175724286 /nfs/dbraw/zinc/72/42/86/1175724286.db2.gz HZUYHZJEESAFCU-UHFFFAOYSA-N -1 1 275.312 1.311 20 0 CDADMM CC[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@H](C)O ZINC001604064783 1175744468 /nfs/dbraw/zinc/74/44/68/1175744468.db2.gz SELFLLNOMLXBPD-CRCLSJGQSA-N -1 1 288.764 1.548 20 0 CDADMM CC[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@H](C)O ZINC001604064783 1175744471 /nfs/dbraw/zinc/74/44/71/1175744471.db2.gz SELFLLNOMLXBPD-CRCLSJGQSA-N -1 1 288.764 1.548 20 0 CDADMM CC[C@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)C1CCC1 ZINC001604069925 1175749003 /nfs/dbraw/zinc/74/90/03/1175749003.db2.gz AGVDIUDGBDIKLW-LBPRGKRZSA-N -1 1 287.323 1.997 20 0 CDADMM CC[C@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)C1CCC1 ZINC001604069925 1175749009 /nfs/dbraw/zinc/74/90/09/1175749009.db2.gz AGVDIUDGBDIKLW-LBPRGKRZSA-N -1 1 287.323 1.997 20 0 CDADMM CCC1(C)CN(c2cc(-c3nnn[n-]3)nc(C)n2)C1 ZINC001604084096 1175749470 /nfs/dbraw/zinc/74/94/70/1175749470.db2.gz MYUCWLXWRORVJH-UHFFFAOYSA-N -1 1 259.317 1.201 20 0 CDADMM CCC1(C)CN(c2cc(-c3nn[n-]n3)nc(C)n2)C1 ZINC001604084096 1175749473 /nfs/dbraw/zinc/74/94/73/1175749473.db2.gz MYUCWLXWRORVJH-UHFFFAOYSA-N -1 1 259.317 1.201 20 0 CDADMM O=C(N[C@@H]1CN2CCC1CC2)c1cccc([N+](=O)[O-])c1[O-] ZINC000236598284 1178338110 /nfs/dbraw/zinc/33/81/10/1178338110.db2.gz JOPQUMVSLYIKDU-LLVKDONJSA-N -1 1 291.307 1.124 20 0 CDADMM CCCOC(=O)CCNC(=O)c1ccc([O-])cc1F ZINC000163301532 1180427042 /nfs/dbraw/zinc/42/70/42/1180427042.db2.gz KLWXPGFHXHLKEJ-UHFFFAOYSA-N -1 1 269.272 1.604 20 0 CDADMM Cc1nn(C)c(C)c1CNC(=O)c1ccc([O-])cc1F ZINC000164265277 1180645079 /nfs/dbraw/zinc/64/50/79/1180645079.db2.gz UCCTYKZSUIZLGW-UHFFFAOYSA-N -1 1 277.299 1.812 20 0 CDADMM CCCn1cncc1CN1CC([C@H](C)C(=O)[O-])C1 ZINC000165873444 1181042016 /nfs/dbraw/zinc/04/20/16/1181042016.db2.gz KDOUOYWTQBPAIO-JTQLQIEISA-N -1 1 251.330 1.446 20 0 CDADMM Cc1ccccc1NC(=O)CN1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000313899732 1186717897 /nfs/dbraw/zinc/71/78/97/1186717897.db2.gz XQVPKSLXFVVEJI-OLZOCXBDSA-N -1 1 290.363 1.976 20 0 CDADMM C[C@H](NCC1=CCCOC1)c1ncc(C(=O)[O-])s1 ZINC000314974469 1186736912 /nfs/dbraw/zinc/73/69/12/1186736912.db2.gz OGMAGDNHDKQPGK-QMMMGPOBSA-N -1 1 268.338 1.839 20 0 CDADMM COc1cccc([C@H](N)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC001771830140 1186893818 /nfs/dbraw/zinc/89/38/18/1186893818.db2.gz WISGGBUXOWLWNA-SWLSCSKDSA-N -1 1 292.335 1.018 20 0 CDADMM 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/nfs/dbraw/zinc/28/04/95/152280495.db2.gz JAPPBMJHPZXECP-SNVBAGLBSA-N -1 1 299.338 1.427 20 0 CDADMM Cn1c2ccc(NC(=O)c3cncc([O-])c3)cc2n(C)c1=O ZINC000346609052 153243453 /nfs/dbraw/zinc/24/34/53/153243453.db2.gz WKRCOELNTMCXMU-UHFFFAOYSA-N -1 1 298.302 1.230 20 0 CDADMM Cc1nnc([C@@H](C)S(=O)(=O)c2ccc([O-])cc2)o1 ZINC000354154667 156292974 /nfs/dbraw/zinc/29/29/74/156292974.db2.gz DFCPFGXLORHJAZ-SSDOTTSWSA-N -1 1 268.294 1.619 20 0 CDADMM Cc1ccn(C2CCN(C(=O)c3cncc([O-])c3)CC2)n1 ZINC000355495075 157081381 /nfs/dbraw/zinc/08/13/81/157081381.db2.gz HHCHBAVFUSCRIN-UHFFFAOYSA-N -1 1 286.335 1.769 20 0 CDADMM CN(Cc1ccccn1)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000355620654 157150146 /nfs/dbraw/zinc/15/01/46/157150146.db2.gz PFAOSLVXJCXPHV-UHFFFAOYSA-N -1 1 297.318 1.341 20 0 CDADMM C[C@@H]1CCC[C@@H]1CC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000372133659 160082694 /nfs/dbraw/zinc/08/26/94/160082694.db2.gz JCKLRWGMIJSMPG-UTUOFQBUSA-N -1 1 277.372 1.732 20 0 CDADMM Cc1nsc(N2CCC[C@H](c3n[n-]c(=O)o3)C2)n1 ZINC000375040442 160338419 /nfs/dbraw/zinc/33/84/19/160338419.db2.gz FQJJGSNTNJAUDS-ZETCQYMHSA-N -1 1 267.314 1.319 20 0 CDADMM BrC1(COc2cccnc2-c2nnn[n-]2)CC1 ZINC001588315543 1173022636 /nfs/dbraw/zinc/02/26/36/1173022636.db2.gz CVEPYMBFRKNHBA-UHFFFAOYSA-N -1 1 296.128 1.568 20 0 CDADMM BrC1(COc2cccnc2-c2nn[n-]n2)CC1 ZINC001588315543 1173022640 /nfs/dbraw/zinc/02/26/40/1173022640.db2.gz CVEPYMBFRKNHBA-UHFFFAOYSA-N -1 1 296.128 1.568 20 0 CDADMM CC(C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000007305936 170276717 /nfs/dbraw/zinc/27/67/17/170276717.db2.gz SBOJRCCEEJUQME-UHFFFAOYSA-N -1 1 253.245 1.791 20 0 CDADMM COc1ccc(Cl)cc1C(=O)Nc1nnn[n-]1 ZINC000008209127 170324964 /nfs/dbraw/zinc/32/49/64/170324964.db2.gz DZJXOGDZCKKRQS-UHFFFAOYSA-N -1 1 253.649 1.114 20 0 CDADMM COc1ccc(Cl)cc1C(=O)Nc1nn[n-]n1 ZINC000008209127 170324966 /nfs/dbraw/zinc/32/49/66/170324966.db2.gz DZJXOGDZCKKRQS-UHFFFAOYSA-N -1 1 253.649 1.114 20 0 CDADMM Nc1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1O ZINC000021505476 171307581 /nfs/dbraw/zinc/30/75/81/171307581.db2.gz GAAINKGONMLRES-UHFFFAOYSA-N -1 1 282.296 1.914 20 0 CDADMM CCc1nc(CN2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)n[nH]1 ZINC000656768720 413655943 /nfs/dbraw/zinc/65/59/43/413655943.db2.gz WJIFGCPDSLXTGT-WOPDTQHZSA-N -1 1 292.383 1.832 20 0 CDADMM Cn1nccc1CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000656763504 413623525 /nfs/dbraw/zinc/62/35/25/413623525.db2.gz GRQDKQSDQNCRQS-RDBSUJKOSA-N -1 1 277.368 1.885 20 0 CDADMM CC[C@@H]1CN(CC)CCN1C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659425419 413809659 /nfs/dbraw/zinc/80/96/59/413809659.db2.gz JOCHFBGQXOLGMN-GFCCVEGCSA-N -1 1 297.399 1.367 20 0 CDADMM O=C([O-])c1ccc(CN2CC[C@@]3(O)C[C@H]3C2)c(F)c1 ZINC000659799419 414132415 /nfs/dbraw/zinc/13/24/15/414132415.db2.gz CXBYOLGIDFVYIK-SMDDNHRTSA-N -1 1 265.284 1.481 20 0 CDADMM Cc1c(C(=O)NCc2nn[n-]n2)sc2cccc(F)c12 ZINC000044928042 175277895 /nfs/dbraw/zinc/27/78/95/175277895.db2.gz QJNGVNKLQIJSBT-UHFFFAOYSA-N -1 1 291.311 1.792 20 0 CDADMM O=C(NCc1nn[n-]n1)c1c(Cl)cccc1Cl ZINC000044929493 175279791 /nfs/dbraw/zinc/27/97/91/175279791.db2.gz LEWOSROTDHWHSK-UHFFFAOYSA-N -1 1 272.095 1.437 20 0 CDADMM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000070524320 175969361 /nfs/dbraw/zinc/96/93/61/175969361.db2.gz QBQFIBAYKOLJRK-MNOVXSKESA-N -1 1 287.319 1.936 20 0 CDADMM Cn1c(CCNC(=O)[C@@H]2CC=CCC2)n[n-]c1=S ZINC000071847011 176275995 /nfs/dbraw/zinc/27/59/95/176275995.db2.gz VTLXSPGJSCKWOU-SECBINFHSA-N -1 1 266.370 1.493 20 0 CDADMM CC(C)=CCOC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589379152 1173141834 /nfs/dbraw/zinc/14/18/34/1173141834.db2.gz DYKCKSQUEPAMFL-UHFFFAOYSA-N -1 1 259.269 1.385 20 0 CDADMM CC(C)=CCOC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589379152 1173141840 /nfs/dbraw/zinc/14/18/40/1173141840.db2.gz DYKCKSQUEPAMFL-UHFFFAOYSA-N -1 1 259.269 1.385 20 0 CDADMM CC(C)[C@H](Nc1cc(-c2nnn[n-]2)ncn1)C1CC1 ZINC001589475789 1173147373 /nfs/dbraw/zinc/14/73/73/1173147373.db2.gz KLAVIINHUYZHFX-NSHDSACASA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)[C@H](Nc1cc(-c2nn[n-]n2)ncn1)C1CC1 ZINC001589475789 1173147387 /nfs/dbraw/zinc/14/73/87/1173147387.db2.gz KLAVIINHUYZHFX-NSHDSACASA-N -1 1 259.317 1.503 20 0 CDADMM CC[C@@H](O)[C@@H](CC)NC(=O)c1c([O-])cccc1F ZINC000313095830 260246481 /nfs/dbraw/zinc/24/64/81/260246481.db2.gz BPQRKGZUCGCVMZ-NXEZZACHSA-N -1 1 255.289 1.811 20 0 CDADMM CC[C@H]1CN(C(=O)C(=O)c2ccc([O-])cc2)[C@@H](CC)CO1 ZINC000652762640 424045144 /nfs/dbraw/zinc/04/51/44/424045144.db2.gz LXYOSYQDKJVAKP-JSGCOSHPSA-N -1 1 291.347 1.991 20 0 CDADMM CC(C)(C)C(=O)N1CCC(N=c2[nH]c(C(=O)[O-])co2)CC1 ZINC000653501804 424221230 /nfs/dbraw/zinc/22/12/30/424221230.db2.gz IWPZNLCGAOJXNN-UHFFFAOYSA-N -1 1 295.339 1.244 20 0 CDADMM CCN1C[C@H](CNC(=O)c2ccc([O-])cc2F)CC1=O ZINC000652833614 424272954 /nfs/dbraw/zinc/27/29/54/424272954.db2.gz RBPSAHPOJLSKFG-VIFPVBQESA-N -1 1 280.299 1.130 20 0 CDADMM CN(CCCOCCc1ccccc1)Cc1n[n-]c(=O)o1 ZINC000660850495 424363993 /nfs/dbraw/zinc/36/39/93/424363993.db2.gz OBCOTPPQSXTOPJ-UHFFFAOYSA-N 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ZINC001590433981 1173409219 /nfs/dbraw/zinc/40/92/19/1173409219.db2.gz SYBBPQCYNXPMFE-UHFFFAOYSA-N -1 1 275.360 1.919 20 0 CDADMM CCC(CC)CN(CC)c1cncc(-c2nn[n-]n2)n1 ZINC001590433981 1173409224 /nfs/dbraw/zinc/40/92/24/1173409224.db2.gz SYBBPQCYNXPMFE-UHFFFAOYSA-N -1 1 275.360 1.919 20 0 CDADMM C[C@H]1c2cccn2CCN1C(=O)c1ncccc1[O-] ZINC000187883880 280133002 /nfs/dbraw/zinc/13/30/02/280133002.db2.gz JTVHDCNSNSZDNT-JTQLQIEISA-N -1 1 257.293 1.806 20 0 CDADMM Cc1cc(NC(=O)CCc2nc[nH]n2)ccc1C(=O)[O-] ZINC000237702625 280185084 /nfs/dbraw/zinc/18/50/84/280185084.db2.gz URYNBORITGNSJO-UHFFFAOYSA-N -1 1 274.280 1.383 20 0 CDADMM Cc1c2ccccc2[nH]c(=O)c1C(=O)Nc1nnn[n-]1 ZINC000176758246 280270713 /nfs/dbraw/zinc/27/07/13/280270713.db2.gz DWFWKTUQJCCLJA-UHFFFAOYSA-N -1 1 270.252 1.014 20 0 CDADMM Cc1c2ccccc2[nH]c(=O)c1C(=O)Nc1nn[n-]n1 ZINC000176758246 280270714 /nfs/dbraw/zinc/27/07/14/280270714.db2.gz DWFWKTUQJCCLJA-UHFFFAOYSA-N -1 1 270.252 1.014 20 0 CDADMM CCC(F)(F)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590451997 1173414924 /nfs/dbraw/zinc/41/49/24/1173414924.db2.gz OKHHIIIUADIYJQ-UHFFFAOYSA-N -1 1 283.238 1.464 20 0 CDADMM CCC(F)(F)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590451997 1173414930 /nfs/dbraw/zinc/41/49/30/1173414930.db2.gz OKHHIIIUADIYJQ-UHFFFAOYSA-N -1 1 283.238 1.464 20 0 CDADMM CN(C(=O)c1cc(=O)n2[n-]cnc2n1)[C@@H]1CCC(C)(C)C1 ZINC000358055208 281871149 /nfs/dbraw/zinc/87/11/49/281871149.db2.gz MHKSQIRISJHKIF-SECBINFHSA-N -1 1 289.339 1.068 20 0 CDADMM C[C@@H]1CCCC[C@@H]1NC(=O)CNC1(C(=O)[O-])CCCC1 ZINC000532711826 282027790 /nfs/dbraw/zinc/02/77/90/282027790.db2.gz LNUBCACYCXIMQB-NEPJUHHUSA-N -1 1 282.384 1.668 20 0 CDADMM O=C(C=Cc1cccc(C(F)(F)F)c1)Nc1nnn[n-]1 ZINC000255509151 289374201 /nfs/dbraw/zinc/37/42/01/289374201.db2.gz LUDRTVWMJNZKPO-PLNGDYQASA-N -1 1 283.213 1.870 20 0 CDADMM O=C(C=Cc1cccc(C(F)(F)F)c1)Nc1nn[n-]n1 ZINC000255509151 289374204 /nfs/dbraw/zinc/37/42/04/289374204.db2.gz LUDRTVWMJNZKPO-PLNGDYQASA-N -1 1 283.213 1.870 20 0 CDADMM CC[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)[C@@H]1C ZINC001590514988 1173443159 /nfs/dbraw/zinc/44/31/59/1173443159.db2.gz SKHDHBNAYSXYJP-NXEZZACHSA-N -1 1 258.329 1.887 20 0 CDADMM CC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)[C@@H]1C ZINC001590514988 1173443162 /nfs/dbraw/zinc/44/31/62/1173443162.db2.gz SKHDHBNAYSXYJP-NXEZZACHSA-N -1 1 258.329 1.887 20 0 CDADMM CC(C)(CC(=O)N1CCC[C@@H](c2nn[n-]n2)C1)C1CC1 ZINC000556681367 290280189 /nfs/dbraw/zinc/28/01/89/290280189.db2.gz IIWPVLCDNRGYOD-SNVBAGLBSA-N -1 1 277.372 1.732 20 0 CDADMM NC(=O)C[C@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000561408513 293083089 /nfs/dbraw/zinc/08/30/89/293083089.db2.gz RCFTYRUZBVTVJT-MRVPVSSYSA-N -1 1 298.289 1.398 20 0 CDADMM Cn1cnnc1CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000562033627 293111570 /nfs/dbraw/zinc/11/15/70/293111570.db2.gz FETWTMQUMKCODY-UHFFFAOYSA-N -1 1 273.268 1.541 20 0 CDADMM O=S(=O)([N-]c1cnc[nH]1)c1cc2ccccc2o1 ZINC000562236333 293119491 /nfs/dbraw/zinc/11/94/91/293119491.db2.gz GPVXULBVTIXJBK-UHFFFAOYSA-N -1 1 263.278 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DYBHYYYZQJUNAL-LLVKDONJSA-N -1 1 290.371 1.609 20 0 CDADMM CCCC[C@H](CC)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001590577493 1173468903 /nfs/dbraw/zinc/46/89/03/1173468903.db2.gz ASQRPQQVBTVICY-QMMMGPOBSA-N -1 1 277.332 1.745 20 0 CDADMM O=C([O-])C1(O)CCN(Cc2cccc(Cl)c2)CC1 ZINC000568772149 294100180 /nfs/dbraw/zinc/10/01/80/294100180.db2.gz NJDDYNDEVGQUIO-UHFFFAOYSA-N -1 1 269.728 1.752 20 0 CDADMM Cn1[n-]cc2c(=NS(=O)(=O)c3ccsc3)ccnc1-2 ZINC000359407136 294132527 /nfs/dbraw/zinc/13/25/27/294132527.db2.gz JGHUQYINZITGCJ-UHFFFAOYSA-N -1 1 294.361 1.204 20 0 CDADMM Cc1ccccc1[C@H](N)C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000569009126 294142337 /nfs/dbraw/zinc/14/23/37/294142337.db2.gz XJHIYXIVZHLINR-DYEKYZERSA-N -1 1 290.363 1.707 20 0 CDADMM CCc1nc(=NC[C@@H](CC2CC2)C(=O)OC)s[n-]1 ZINC000571171137 294382515 /nfs/dbraw/zinc/38/25/15/294382515.db2.gz UCYDGIIYODJTBZ-SECBINFHSA-N -1 1 269.370 1.524 20 0 CDADMM COC[C@@H]1CN(CCc2ccccc2C(=O)[O-])C[C@H](C)O1 ZINC000571171947 294382777 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ZINC001590853382 1173528962 /nfs/dbraw/zinc/52/89/62/1173528962.db2.gz MKNXVHAKZPGCTB-UHFFFAOYSA-N -1 1 297.409 1.801 20 0 CDADMM CCSCCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590853382 1173528967 /nfs/dbraw/zinc/52/89/67/1173528967.db2.gz MKNXVHAKZPGCTB-UHFFFAOYSA-N -1 1 297.409 1.801 20 0 CDADMM CCc1ccc(CNc2cncc(-c3nnn[n-]3)n2)s1 ZINC001590890083 1173535135 /nfs/dbraw/zinc/53/51/35/1173535135.db2.gz MSEIKBINHTXJMT-UHFFFAOYSA-N -1 1 287.352 1.893 20 0 CDADMM CCc1ccc(CNc2cncc(-c3nn[n-]n3)n2)s1 ZINC001590890083 1173535142 /nfs/dbraw/zinc/53/51/42/1173535142.db2.gz MSEIKBINHTXJMT-UHFFFAOYSA-N -1 1 287.352 1.893 20 0 CDADMM CCc1nc(N[C@@H]2C[C@H]2C2CC2)cc(-c2nnn[n-]2)n1 ZINC001590923600 1173543799 /nfs/dbraw/zinc/54/37/99/1173543799.db2.gz BXAGECSIFINMNT-DTWKUNHWSA-N -1 1 271.328 1.430 20 0 CDADMM CCc1nc(N[C@@H]2C[C@H]2C2CC2)cc(-c2nn[n-]n2)n1 ZINC001590923600 1173543806 /nfs/dbraw/zinc/54/38/06/1173543806.db2.gz BXAGECSIFINMNT-DTWKUNHWSA-N -1 1 271.328 1.430 20 0 CDADMM CN(CC(C)(C)CO)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591043875 1173566081 /nfs/dbraw/zinc/56/60/81/1173566081.db2.gz BGXQNVZWIQJVQI-UHFFFAOYSA-N -1 1 295.368 1.019 20 0 CDADMM CN(CC(F)F)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001591043734 1173566122 /nfs/dbraw/zinc/56/61/22/1173566122.db2.gz CZBONXDHJIHIEY-UHFFFAOYSA-N -1 1 273.268 1.265 20 0 CDADMM CN(CC(F)F)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001591043734 1173566126 /nfs/dbraw/zinc/56/61/26/1173566126.db2.gz CZBONXDHJIHIEY-UHFFFAOYSA-N -1 1 273.268 1.265 20 0 CDADMM CO[C@H]1CC[C@@H]1N(C)c1ccc(C)nc1-c1nnn[n-]1 ZINC001591353337 1173625824 /nfs/dbraw/zinc/62/58/24/1173625824.db2.gz JOAJRJPZGDDEES-ONGXEEELSA-N -1 1 274.328 1.184 20 0 CDADMM CO[C@H]1CC[C@@H]1N(C)c1ccc(C)nc1-c1nn[n-]n1 ZINC001591353337 1173625827 /nfs/dbraw/zinc/62/58/27/1173625827.db2.gz JOAJRJPZGDDEES-ONGXEEELSA-N -1 1 274.328 1.184 20 0 CDADMM CSCC1(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC1 ZINC001591696271 1173686082 /nfs/dbraw/zinc/68/60/82/1173686082.db2.gz QTQVMJJJYVWRFV-UHFFFAOYSA-N -1 1 293.356 1.062 20 0 CDADMM CSCC1(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC1 ZINC001591696271 1173686084 /nfs/dbraw/zinc/68/60/84/1173686084.db2.gz QTQVMJJJYVWRFV-UHFFFAOYSA-N -1 1 293.356 1.062 20 0 CDADMM CSCCNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591701718 1173690307 /nfs/dbraw/zinc/69/03/07/1173690307.db2.gz ZVHDWQRXOZHAPL-UHFFFAOYSA-N -1 1 277.357 1.309 20 0 CDADMM CSCCNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591701718 1173690313 /nfs/dbraw/zinc/69/03/13/1173690313.db2.gz ZVHDWQRXOZHAPL-UHFFFAOYSA-N -1 1 277.357 1.309 20 0 CDADMM CC(=O)N1CC[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000176690999 315921649 /nfs/dbraw/zinc/92/16/49/315921649.db2.gz WFQNWKYUJOSXTN-SECBINFHSA-N -1 1 282.727 1.853 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(S[C@@H]2CCO[C@H]2C)n1 ZINC001591904598 1173743653 /nfs/dbraw/zinc/74/36/53/1173743653.db2.gz ZMQXSQMETLBUTJ-IONNQARKSA-N -1 1 278.341 1.235 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(S[C@@H]2CCO[C@H]2C)n1 ZINC001591904598 1173743657 /nfs/dbraw/zinc/74/36/57/1173743657.db2.gz 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/nfs/dbraw/zinc/12/26/55/317122655.db2.gz GKJBDZBYALCPCA-BXKDBHETSA-N -1 1 287.319 1.746 20 0 CDADMM Cc1ccoc1CN(C)Cc1nc(-c2nn[n-]n2)cs1 ZINC001592282564 1173846617 /nfs/dbraw/zinc/84/66/17/1173846617.db2.gz WWCOZADIVLZTRH-UHFFFAOYSA-N -1 1 290.352 1.857 20 0 CDADMM CCOC(=O)c1cc(NC(=O)C2(CCOC)CC2)n[nH]1 ZINC000183290390 323329188 /nfs/dbraw/zinc/32/91/88/323329188.db2.gz MKMJUMHANMWQHM-UHFFFAOYSA-N -1 1 281.312 1.342 20 0 CDADMM COc1ccc2oc(=NCCc3c(C)[n-][nH]c3=O)[nH]c2c1 ZINC000581307085 324706907 /nfs/dbraw/zinc/70/69/07/324706907.db2.gz DKNYQDPSSLCPPQ-SNVBAGLBSA-N -1 1 288.307 1.182 20 0 CDADMM Cc1nnc(NCc2ccc(-c3nn[n-]n3)s2)nc1C ZINC001592449298 1173894809 /nfs/dbraw/zinc/89/48/09/1173894809.db2.gz NEDDPSYHKPTAFD-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM CCO[C@@H]1C[C@@H]1NC(=O)c1cc(Cl)ccc1[O-] ZINC000582585294 325002948 /nfs/dbraw/zinc/00/29/48/325002948.db2.gz VRYJUHNVSVTZTI-GXSJLCMTSA-N -1 1 255.701 1.953 20 0 CDADMM CCc1nc(S[C@H]2CCCN(C)C2=O)[n-]c(=O)c1C ZINC000583452073 325180008 /nfs/dbraw/zinc/18/00/08/325180008.db2.gz RFVMQEGVOZDITM-JTQLQIEISA-N -1 1 281.381 1.766 20 0 CDADMM Cc1nsc(NCCC[C@@H](C)CO)c1-c1nn[n-]n1 ZINC001592492385 1173903391 /nfs/dbraw/zinc/90/33/91/1173903391.db2.gz YQZJJMMAWZVCPP-SSDOTTSWSA-N -1 1 282.373 1.452 20 0 CDADMM Cc1nsc(SC[C@@H](C)CO)c1-c1nnn[n-]1 ZINC001592494093 1173905041 /nfs/dbraw/zinc/90/50/41/1173905041.db2.gz AWKTYXMPWKZZNO-YFKPBYRVSA-N -1 1 271.371 1.352 20 0 CDADMM Cc1nsc(SC[C@@H](C)CO)c1-c1nn[n-]n1 ZINC001592494093 1173905046 /nfs/dbraw/zinc/90/50/46/1173905046.db2.gz AWKTYXMPWKZZNO-YFKPBYRVSA-N -1 1 271.371 1.352 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@H]1C=CCC1 ZINC001592501523 1173906889 /nfs/dbraw/zinc/90/68/89/1173906889.db2.gz GYHDYHLWFDFBJM-VIFPVBQESA-N -1 1 273.296 1.464 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@H]1C=CCC1 ZINC001592501523 1173906895 /nfs/dbraw/zinc/90/68/95/1173906895.db2.gz GYHDYHLWFDFBJM-VIFPVBQESA-N -1 1 273.296 1.464 20 0 CDADMM Cc1noc(CN(C)C(=O)c2ccc([O-])c(F)c2)n1 ZINC000655358291 482430777 /nfs/dbraw/zinc/43/07/77/482430777.db2.gz MRRIEHCQGXFHBH-UHFFFAOYSA-N -1 1 265.244 1.495 20 0 CDADMM C[C@H]1CC[C@H](C(=O)[O-])CN1c1ncnc2[nH]cnc21 ZINC000397046723 482498328 /nfs/dbraw/zinc/49/83/28/482498328.db2.gz VYKDGWJPCUOYFD-YUMQZZPRSA-N -1 1 261.285 1.042 20 0 CDADMM O=S(=O)([N-]C1(CCO)CC1)c1cc2cc(F)ccc2o1 ZINC000451577427 482509352 /nfs/dbraw/zinc/50/93/52/482509352.db2.gz DTYHJORFEJUSHP-UHFFFAOYSA-N -1 1 299.323 1.765 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2ccc3c(c2)CC(=O)N3C)c1[O-] ZINC000684066398 482628659 /nfs/dbraw/zinc/62/86/59/482628659.db2.gz SAVOHLRNZMRVTD-UHFFFAOYSA-N -1 1 286.291 1.195 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc([O-])c(F)c2)[C@H](C)CO1 ZINC000681017006 482658417 /nfs/dbraw/zinc/65/84/17/482658417.db2.gz AKEQFEKCEXEEDK-RKDXNWHRSA-N -1 1 253.273 1.781 20 0 CDADMM C[C@@H]1CO[C@@H](C)CN1C(=O)c1ccc([O-])c(F)c1 ZINC000681017003 482659102 /nfs/dbraw/zinc/65/91/02/482659102.db2.gz AKEQFEKCEXEEDK-BDAKNGLRSA-N -1 1 253.273 1.781 20 0 CDADMM COCCOC[C@H]1CCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681049911 482670889 /nfs/dbraw/zinc/67/08/89/482670889.db2.gz OQXGCJYQJUOQCY-NSHDSACASA-N -1 1 297.326 1.656 20 0 CDADMM NC(=O)C[C@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681051933 482672242 /nfs/dbraw/zinc/67/22/42/482672242.db2.gz GMJIWTLMCNQJOE-SECBINFHSA-N -1 1 280.299 1.259 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000681054739 482674214 /nfs/dbraw/zinc/67/42/14/482674214.db2.gz YBIDCJSVTUXMQY-KGLIPLIRSA-N -1 1 295.310 1.551 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H](OCCO)C1 ZINC000681058227 482676956 /nfs/dbraw/zinc/67/69/56/482676956.db2.gz KILBPNSELWRMGY-LLVKDONJSA-N -1 1 283.299 1.145 20 0 CDADMM CN(C[C@@H]1CCC[C@@H]1O)C(=O)c1ccc([O-])c(F)c1 ZINC000681058699 482677098 /nfs/dbraw/zinc/67/70/98/482677098.db2.gz CRLWCJYNXBLSFG-JQWIXIFHSA-N -1 1 267.300 1.764 20 0 CDADMM CCO[C@H]1COCC[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681067619 482680642 /nfs/dbraw/zinc/68/06/42/482680642.db2.gz DBJSGUJJUYODEW-YPMHNXCESA-N -1 1 283.299 1.455 20 0 CDADMM CO[C@@H](C)c1nc(=N[C@@H]2CC[C@@H](OC)C2)s[n-]1 ZINC000379729286 482816206 /nfs/dbraw/zinc/81/62/06/482816206.db2.gz HHAONXJVRNXSME-DJLDLDEBSA-N -1 1 257.359 1.647 20 0 CDADMM C[C@H](CN(C)C(=O)c1cc2occc2s1)c1nn[n-]n1 ZINC000681353383 482822843 /nfs/dbraw/zinc/82/28/43/482822843.db2.gz QUAMUVZRVSRSFF-SSDOTTSWSA-N -1 1 291.336 1.883 20 0 CDADMM O=C(Cc1cccs1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000670384144 482871392 /nfs/dbraw/zinc/87/13/92/482871392.db2.gz FMOQZBZARKHCGB-SECBINFHSA-N -1 1 293.348 1.785 20 0 CDADMM C[C@@H]1CN(Cc2cn3ccccc3n2)CC[C@@H]1C(=O)[O-] ZINC000383322536 482992147 /nfs/dbraw/zinc/99/21/47/482992147.db2.gz KHXNWOITYDAWKX-YPMHNXCESA-N -1 1 273.336 1.877 20 0 CDADMM O=C([O-])CC[C@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000043584978 482996267 /nfs/dbraw/zinc/99/62/67/482996267.db2.gz TYFYGODAFWKWMD-SECBINFHSA-N -1 1 275.312 1.434 20 0 CDADMM Cc1ncoc1C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000674323819 483006871 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/nfs/dbraw/zinc/15/87/47/606158747.db2.gz VHJZFOITTKXUHR-UHFFFAOYSA-N -1 1 298.310 1.553 20 0 CDADMM Cc1ccc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000822248940 606158749 /nfs/dbraw/zinc/15/87/49/606158749.db2.gz VHJZFOITTKXUHR-UHFFFAOYSA-N -1 1 298.310 1.553 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccccc1 ZINC000823294532 606195864 /nfs/dbraw/zinc/19/58/64/606195864.db2.gz FTHXRFMULKSLPF-UHFFFAOYSA-N -1 1 281.275 1.825 20 0 CDADMM CSC[C@@H](C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000821956339 606293137 /nfs/dbraw/zinc/29/31/37/606293137.db2.gz MMAJTHCOQGUVIF-SSDOTTSWSA-N -1 1 293.352 1.510 20 0 CDADMM CC(C)CC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820051745 606379284 /nfs/dbraw/zinc/37/92/84/606379284.db2.gz VDCPXFWRXVIDGP-UHFFFAOYSA-N -1 1 294.336 1.700 20 0 CDADMM CC(C)CC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820051745 606379286 /nfs/dbraw/zinc/37/92/86/606379286.db2.gz VDCPXFWRXVIDGP-UHFFFAOYSA-N -1 1 294.336 1.700 20 0 CDADMM CC(C)[C@@H]1OCC[C@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC000820047237 606472153 /nfs/dbraw/zinc/47/21/53/606472153.db2.gz WRWADTRFIWDSIS-GWCFXTLKSA-N -1 1 288.355 1.735 20 0 CDADMM CC(C)[C@@H]1OCC[C@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC000820047237 606472156 /nfs/dbraw/zinc/47/21/56/606472156.db2.gz WRWADTRFIWDSIS-GWCFXTLKSA-N -1 1 288.355 1.735 20 0 CDADMM c1cn(Cc2cccc3cccnc32)c(-c2nnn[n-]2)n1 ZINC000823816238 606655400 /nfs/dbraw/zinc/65/54/00/606655400.db2.gz QIYLAUUGNQINEM-UHFFFAOYSA-N -1 1 277.291 1.660 20 0 CDADMM c1cn(Cc2cccc3cccnc32)c(-c2nn[n-]n2)n1 ZINC000823816238 606655401 /nfs/dbraw/zinc/65/54/01/606655401.db2.gz QIYLAUUGNQINEM-UHFFFAOYSA-N -1 1 277.291 1.660 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1Cc1cccc(Cl)n1 ZINC000823657454 607159590 /nfs/dbraw/zinc/15/95/90/607159590.db2.gz PELKBTDIBGLRAZ-UHFFFAOYSA-N -1 1 288.698 1.125 20 0 CDADMM Cc1ncc(NC(=O)c2ccc(-c3nnn[n-]3)s2)s1 ZINC000826330124 607773693 /nfs/dbraw/zinc/77/36/93/607773693.db2.gz GRMUOEDAQUBYJB-UHFFFAOYSA-N -1 1 292.349 1.945 20 0 CDADMM Cc1ncc(NC(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC000826330124 607773694 /nfs/dbraw/zinc/77/36/94/607773694.db2.gz GRMUOEDAQUBYJB-UHFFFAOYSA-N -1 1 292.349 1.945 20 0 CDADMM CC(=O)Nc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000823999542 607894470 /nfs/dbraw/zinc/89/44/70/607894470.db2.gz DTZCLGLXCQXRLE-UHFFFAOYSA-N -1 1 295.306 1.964 20 0 CDADMM CC(=O)Nc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000823999542 607894471 /nfs/dbraw/zinc/89/44/71/607894471.db2.gz DTZCLGLXCQXRLE-UHFFFAOYSA-N -1 1 295.306 1.964 20 0 CDADMM c1ccc(OC2CN(c3cccc(-c4nnn[n-]4)n3)C2)cc1 ZINC000826522794 607898797 /nfs/dbraw/zinc/89/87/97/607898797.db2.gz OKVQQVLOCRMLPD-UHFFFAOYSA-N -1 1 294.318 1.529 20 0 CDADMM c1ccc(OC2CN(c3cccc(-c4nn[n-]n4)n3)C2)cc1 ZINC000826522794 607898798 /nfs/dbraw/zinc/89/87/98/607898798.db2.gz OKVQQVLOCRMLPD-UHFFFAOYSA-N -1 1 294.318 1.529 20 0 CDADMM C[C@@H](O)[C@H](C)Sc1cccc(-c2nnn[n-]2)n1 ZINC000824679477 607900341 /nfs/dbraw/zinc/90/03/41/607900341.db2.gz SODHIJZBHGROLU-RQJHMYQMSA-N -1 1 251.315 1.123 20 0 CDADMM C[C@@H](O)[C@H](C)Sc1cccc(-c2nn[n-]n2)n1 ZINC000824679477 607900342 /nfs/dbraw/zinc/90/03/42/607900342.db2.gz SODHIJZBHGROLU-RQJHMYQMSA-N -1 1 251.315 1.123 20 0 CDADMM CC[C@H]1C[C@H](C)CN1c1cccc(-c2nnn[n-]2)n1 ZINC000825181913 607900898 /nfs/dbraw/zinc/90/08/98/607900898.db2.gz GJUMKHOVBZTCKP-UWVGGRQHSA-N -1 1 258.329 1.887 20 0 CDADMM CC[C@H]1C[C@H](C)CN1c1cccc(-c2nn[n-]n2)n1 ZINC000825181913 607900899 /nfs/dbraw/zinc/90/08/99/607900899.db2.gz GJUMKHOVBZTCKP-UWVGGRQHSA-N -1 1 258.329 1.887 20 0 CDADMM Fc1cccc2c1CCN(c1nccnc1-c1nnn[n-]1)C2 ZINC000826377735 607936890 /nfs/dbraw/zinc/93/68/90/607936890.db2.gz DHXMQZSNCDMUJB-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM Fc1cccc2c1CCN(c1nccnc1-c1nn[n-]n1)C2 ZINC000826377735 607936891 /nfs/dbraw/zinc/93/68/91/607936891.db2.gz DHXMQZSNCDMUJB-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM Cc1csc(Sc2ccc(-c3nnn[n-]3)nn2)n1 ZINC000826320997 607987868 /nfs/dbraw/zinc/98/78/68/607987868.db2.gz NDLWRGIGHFRRJP-UHFFFAOYSA-N -1 1 277.338 1.573 20 0 CDADMM Cc1csc(Sc2ccc(-c3nn[n-]n3)nn2)n1 ZINC000826320997 607987869 /nfs/dbraw/zinc/98/78/69/607987869.db2.gz NDLWRGIGHFRRJP-UHFFFAOYSA-N -1 1 277.338 1.573 20 0 CDADMM CCC[C@](C)(O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825233836 607997359 /nfs/dbraw/zinc/99/73/59/607997359.db2.gz SJJFAOSJHCZPQC-ZDUSSCGKSA-N -1 1 291.311 1.062 20 0 CDADMM c1cc(Oc2ccc3nccnc3c2)nc(-c2nnn[n-]2)c1 ZINC000826517744 608018333 /nfs/dbraw/zinc/01/83/33/608018333.db2.gz NJRVCPLUDZRODF-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1cc(Oc2ccc3nccnc3c2)nc(-c2nn[n-]n2)c1 ZINC000826517744 608018334 /nfs/dbraw/zinc/01/83/34/608018334.db2.gz NJRVCPLUDZRODF-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM COc1cccnc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000826221117 608112376 /nfs/dbraw/zinc/11/23/76/608112376.db2.gz PPGPYYBIZYTYRV-UHFFFAOYSA-N -1 1 272.268 1.475 20 0 CDADMM COc1cccnc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000826221117 608112377 /nfs/dbraw/zinc/11/23/77/608112377.db2.gz PPGPYYBIZYTYRV-UHFFFAOYSA-N -1 1 272.268 1.475 20 0 CDADMM Cc1nnc(CNc2snc(Cl)c2-c2nnn[n-]2)o1 ZINC000826335372 608177560 /nfs/dbraw/zinc/17/75/60/608177560.db2.gz KFAQPBDVHZHHIC-UHFFFAOYSA-N -1 1 298.719 1.280 20 0 CDADMM Cc1nnc(CNc2snc(Cl)c2-c2nn[n-]n2)o1 ZINC000826335372 608177561 /nfs/dbraw/zinc/17/75/61/608177561.db2.gz KFAQPBDVHZHHIC-UHFFFAOYSA-N -1 1 298.719 1.280 20 0 CDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[C@@H]1C ZINC000824961883 608302913 /nfs/dbraw/zinc/30/29/13/608302913.db2.gz KIZVOOCXTWYOPC-IUCAKERBSA-N -1 1 259.317 1.139 20 0 CDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC[C@@H]1C ZINC000824961883 608302915 /nfs/dbraw/zinc/30/29/15/608302915.db2.gz KIZVOOCXTWYOPC-IUCAKERBSA-N -1 1 259.317 1.139 20 0 CDADMM Fc1ccc2c(c1)[C@@H](Nc1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000826376067 608416091 /nfs/dbraw/zinc/41/60/91/608416091.db2.gz NIFJEHUWUFVXFV-NSHDSACASA-N -1 1 297.297 1.895 20 0 CDADMM Fc1ccc2c(c1)[C@@H](Nc1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000826376067 608416092 /nfs/dbraw/zinc/41/60/92/608416092.db2.gz NIFJEHUWUFVXFV-NSHDSACASA-N -1 1 297.297 1.895 20 0 CDADMM Clc1ccc(Cn2ccnc2-c2nnn[n-]2)nc1 ZINC000826352113 609313336 /nfs/dbraw/zinc/31/33/36/609313336.db2.gz OEMQWXXOQLOGHL-UHFFFAOYSA-N -1 1 261.676 1.160 20 0 CDADMM Clc1ccc(Cn2ccnc2-c2nn[n-]n2)nc1 ZINC000826352113 609313337 /nfs/dbraw/zinc/31/33/37/609313337.db2.gz OEMQWXXOQLOGHL-UHFFFAOYSA-N -1 1 261.676 1.160 20 0 CDADMM CC[C@@](C)(CCO)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825044940 609396134 /nfs/dbraw/zinc/39/61/34/609396134.db2.gz WFQVAAGBWBZXJM-LBPRGKRZSA-N -1 1 295.368 1.209 20 0 CDADMM CC[C@@](C)(CCO)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825044940 609396137 /nfs/dbraw/zinc/39/61/37/609396137.db2.gz WFQVAAGBWBZXJM-LBPRGKRZSA-N -1 1 295.368 1.209 20 0 CDADMM CN(C[C@H]1CC=CCC1)c1nccnc1-c1nnn[n-]1 ZINC000825908491 609594649 /nfs/dbraw/zinc/59/46/49/609594649.db2.gz IOHURMWGIIDMBB-JTQLQIEISA-N -1 1 271.328 1.449 20 0 CDADMM CN(C[C@H]1CC=CCC1)c1nccnc1-c1nn[n-]n1 ZINC000825908491 609594650 /nfs/dbraw/zinc/59/46/50/609594650.db2.gz IOHURMWGIIDMBB-JTQLQIEISA-N -1 1 271.328 1.449 20 0 CDADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CC[C@H](O)[C@@H](F)C1 ZINC000890683898 617268538 /nfs/dbraw/zinc/26/85/38/617268538.db2.gz YCXBOYSTMXWCTL-JQWIXIFHSA-N -1 1 287.718 1.519 20 0 CDADMM CC(C)[S@](C)(=O)=NC([O-])=CS(=O)(=O)C(C)(C)C ZINC000926057011 617353021 /nfs/dbraw/zinc/35/30/21/617353021.db2.gz RLKLWHRZHYSWSR-INIZCTEOSA-N -1 1 283.415 1.233 20 0 CDADMM CC(C)N(CC(N)=O)Cc1cccc(C(=O)[O-])c1 ZINC000042429985 617370461 /nfs/dbraw/zinc/37/04/61/617370461.db2.gz PDMPKKXGJPHLCI-UHFFFAOYSA-N -1 1 250.298 1.081 20 0 CDADMM CC(=O)NC[C@@H]1[C@@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC000945756323 613817752 /nfs/dbraw/zinc/81/77/52/613817752.db2.gz KLGVYQLQPLZBRR-CMPLNLGQSA-N -1 1 291.351 1.164 20 0 CDADMM CC(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2ncccc2[O-])C1 ZINC000945545934 613872879 /nfs/dbraw/zinc/87/28/79/613872879.db2.gz CPINRJKFSUXRMU-PWSUYJOCSA-N -1 1 291.351 1.164 20 0 CDADMM COCc1nc(NCCNc2cccc(C)n2)cc(=O)[n-]1 ZINC000892521420 617473834 /nfs/dbraw/zinc/47/38/34/617473834.db2.gz STCSPFDMNSTUJL-UHFFFAOYSA-N -1 1 289.339 1.556 20 0 CDADMM CCn1ncn([N-]C(=O)N[C@@](C)(CC)C(F)(F)F)c1=O ZINC000933510850 617474339 /nfs/dbraw/zinc/47/43/39/617474339.db2.gz XWYAOEOUVSMPLQ-VIFPVBQESA-N -1 1 295.265 1.049 20 0 CDADMM Cc1ccn(CC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)n1 ZINC000891613063 617504606 /nfs/dbraw/zinc/50/46/06/617504606.db2.gz DSZBQCDOOFXVKK-UHFFFAOYSA-N -1 1 287.323 1.205 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cc2n(n1)CCC2 ZINC000891613500 617504713 /nfs/dbraw/zinc/50/47/13/617504713.db2.gz IFNCAWPMXLDYAU-UHFFFAOYSA-N -1 1 299.334 1.456 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1nccs1 ZINC000891617950 617506597 /nfs/dbraw/zinc/50/65/97/617506597.db2.gz MSSHJLACIOPCOW-UHFFFAOYSA-N -1 1 276.321 1.770 20 0 CDADMM CCC(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C[C@@H]1C ZINC000945290490 614897004 /nfs/dbraw/zinc/89/70/04/614897004.db2.gz UQRRKPPLGDLMMT-WDEREUQCSA-N -1 1 291.351 1.164 20 0 CDADMM O=C(C[C@@H]1CCCO1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891623120 617509197 /nfs/dbraw/zinc/50/91/97/617509197.db2.gz HFOVCRFAQTUHSY-VIFPVBQESA-N -1 1 277.324 1.569 20 0 CDADMM COCc1nc(N[C@@H](C)Cc2ccco2)cc(=O)[n-]1 ZINC000891764209 617573840 /nfs/dbraw/zinc/57/38/40/617573840.db2.gz WHYSSCPVRNTYQP-VIFPVBQESA-N -1 1 263.297 1.965 20 0 CDADMM CCOc1cc(C(=O)N2CC[C@H]2CO)cc(Cl)c1[O-] ZINC000889125916 617606514 /nfs/dbraw/zinc/60/65/14/617606514.db2.gz JKISPXHUODUNHX-VIFPVBQESA-N -1 1 285.727 1.651 20 0 CDADMM COCc1nc(N[C@H]2C[C@@](C)(OC)C2(C)C)cc(=O)[n-]1 ZINC000892756343 617704638 /nfs/dbraw/zinc/70/46/38/617704638.db2.gz BSBCWEJFSBYSEA-LKFCYVNXSA-N -1 1 281.356 1.944 20 0 CDADMM CC(C)OC(=O)c1cc(NC(=O)c2nccs2)n[nH]1 ZINC000888119012 620750333 /nfs/dbraw/zinc/75/03/33/620750333.db2.gz PZKOVILUCCXCDQ-UHFFFAOYSA-N -1 1 280.309 1.684 20 0 CDADMM COCc1nc(N2CCC3(CCOC3)CC2)cc(=O)[n-]1 ZINC000893675974 617830761 /nfs/dbraw/zinc/83/07/61/617830761.db2.gz IYWULGOUPQZIBV-UHFFFAOYSA-N -1 1 279.340 1.336 20 0 CDADMM COCc1nc(N2CC[C@@]3(C2)CCCOC3)cc(=O)[n-]1 ZINC000893742029 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/nfs/dbraw/zinc/63/38/40/1163633840.db2.gz FACIYWFKIAXTQJ-UHFFFAOYSA-N -1 1 282.307 1.089 20 0 CDADMM Cc1cc(Cn2cnc(-c3nn[n-]n3)n2)c(C)s1 ZINC001605671972 1163640465 /nfs/dbraw/zinc/64/04/65/1163640465.db2.gz YQNPBWPLUZPEPZ-UHFFFAOYSA-N -1 1 261.314 1.185 20 0 CDADMM Cc1cc(NC[C@@H]2CCOC2(C)C)cc(-c2nnn[n-]2)n1 ZINC001605732893 1163655096 /nfs/dbraw/zinc/65/50/96/1163655096.db2.gz XJODOXHJYWWXSL-JTQLQIEISA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(NC[C@@H]2CCOC2(C)C)cc(-c2nn[n-]n2)n1 ZINC001605732893 1163655100 /nfs/dbraw/zinc/65/51/00/1163655100.db2.gz XJODOXHJYWWXSL-JTQLQIEISA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(NC[C@H]2CCOC[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001605732599 1163656320 /nfs/dbraw/zinc/65/63/20/1163656320.db2.gz RADOGOYMSQQBNO-GXSJLCMTSA-N -1 1 288.355 1.655 20 0 CDADMM Cc1cc(NC[C@H]2CCOC[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001605732599 1163656325 /nfs/dbraw/zinc/65/63/25/1163656325.db2.gz RADOGOYMSQQBNO-GXSJLCMTSA-N -1 1 288.355 1.655 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC[C@@](C)(O)CC1 ZINC001605802712 1163675533 /nfs/dbraw/zinc/67/55/33/1163675533.db2.gz DLFXLALKAOOJIN-CQSZACIVSA-N -1 1 288.355 1.311 20 0 CDADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCO[C@@H](C2CC2)C1 ZINC001605803021 1163676339 /nfs/dbraw/zinc/67/63/39/1163676339.db2.gz UWJOJDSWAMRKND-GFCCVEGCSA-N -1 1 286.339 1.185 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCO[C@@H](C2CC2)C1 ZINC001605803021 1163676345 /nfs/dbraw/zinc/67/63/45/1163676345.db2.gz UWJOJDSWAMRKND-GFCCVEGCSA-N -1 1 286.339 1.185 20 0 CDADMM Cc1ccc(N[C@H]2CO[C@H](C3CC3)C2)nc1-c1nnn[n-]1 ZINC001605871941 1163700325 /nfs/dbraw/zinc/70/03/25/1163700325.db2.gz OMZWYISCLWFDLK-MNOVXSKESA-N -1 1 286.339 1.550 20 0 CDADMM Cc1ccc(N[C@H]2CO[C@H](C3CC3)C2)nc1-c1nn[n-]n1 ZINC001605871941 1163700335 /nfs/dbraw/zinc/70/03/35/1163700335.db2.gz OMZWYISCLWFDLK-MNOVXSKESA-N -1 1 286.339 1.550 20 0 CDADMM CCc1oc(C(=O)[O-])cc1CN1C[C@@H]2C[C@]2(O)C1 ZINC001605879989 1163704869 /nfs/dbraw/zinc/70/48/69/1163704869.db2.gz YEBSEARGVUTRNF-ZANVPECISA-N -1 1 251.282 1.107 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2C[C@@H](C)C[C@H](C)C2)n1 ZINC001606019267 1163746329 /nfs/dbraw/zinc/74/63/29/1163746329.db2.gz CIFWFHOTIXDCBG-IUCAKERBSA-N -1 1 273.344 1.447 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2C[C@@H](C)C[C@H](C)C2)n1 ZINC001606019267 1163746333 /nfs/dbraw/zinc/74/63/33/1163746333.db2.gz CIFWFHOTIXDCBG-IUCAKERBSA-N -1 1 273.344 1.447 20 0 CDADMM Cc1nc(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)c(C)o1 ZINC001606025566 1163750233 /nfs/dbraw/zinc/75/02/33/1163750233.db2.gz WXNFPSNMYAUHKP-UHFFFAOYSA-N -1 1 299.294 1.143 20 0 CDADMM Cc1nc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)c(C)o1 ZINC001606025566 1163750238 /nfs/dbraw/zinc/75/02/38/1163750238.db2.gz WXNFPSNMYAUHKP-UHFFFAOYSA-N -1 1 299.294 1.143 20 0 CDADMM Cc1nsc(NC(=O)NC2CCC2)c1-c1nnn[n-]1 ZINC001606152037 1163788740 /nfs/dbraw/zinc/78/87/40/1163788740.db2.gz MXPXDANZTFLULS-UHFFFAOYSA-N -1 1 279.329 1.306 20 0 CDADMM Cc1nsc(NC(=O)NC2CCC2)c1-c1nn[n-]n1 ZINC001606152037 1163788743 /nfs/dbraw/zinc/78/87/43/1163788743.db2.gz MXPXDANZTFLULS-UHFFFAOYSA-N -1 1 279.329 1.306 20 0 CDADMM F[C@@]1(c2ccccc2)C[C@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001606300334 1163846830 /nfs/dbraw/zinc/84/68/30/1163846830.db2.gz UHRPROKEOLSOBX-BXUZGUMPSA-N -1 1 297.297 1.706 20 0 CDADMM F[C@@]1(c2ccccc2)C[C@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001606300334 1163846833 /nfs/dbraw/zinc/84/68/33/1163846833.db2.gz UHRPROKEOLSOBX-BXUZGUMPSA-N -1 1 297.297 1.706 20 0 CDADMM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1CC1CC2(CCC2)C1 ZINC001606372863 1163880281 /nfs/dbraw/zinc/88/02/81/1163880281.db2.gz IOCVBYVVGBDWOR-STQMWFEESA-N -1 1 295.379 1.905 20 0 CDADMM COC(=O)C1CC(NCc2ccc(C(=O)[O-])cc2F)C1 ZINC001606378439 1163882500 /nfs/dbraw/zinc/88/25/00/1163882500.db2.gz QHIVUOAVSNJRGB-UHFFFAOYSA-N -1 1 281.283 1.565 20 0 CDADMM CO[C@@H]1CN(C(=O)c2cnc(C(C)C)[nH]2)[C@@](C)(C(=O)[O-])C1 ZINC001606765506 1163988382 /nfs/dbraw/zinc/98/83/82/1163988382.db2.gz RHCVNIUXHBJZEY-LKFCYVNXSA-N -1 1 295.339 1.237 20 0 CDADMM O=C(Nc1cnc2ccccn21)c1coc(-c2nnn[n-]2)c1 ZINC001606946458 1164036364 /nfs/dbraw/zinc/03/63/64/1164036364.db2.gz WCCVJCUWLDJBHW-UHFFFAOYSA-N -1 1 295.262 1.360 20 0 CDADMM O=C(Nc1cnc2ccccn21)c1coc(-c2nn[n-]n2)c1 ZINC001606946458 1164036369 /nfs/dbraw/zinc/03/63/69/1164036369.db2.gz WCCVJCUWLDJBHW-UHFFFAOYSA-N -1 1 295.262 1.360 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc2c(c1)CCC2 ZINC001606945739 1164037555 /nfs/dbraw/zinc/03/75/55/1164037555.db2.gz MOTFYCDUKXSXRH-UHFFFAOYSA-N -1 1 295.306 1.331 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@@H](F)C1 ZINC001607017279 1164060610 /nfs/dbraw/zinc/06/06/10/1164060610.db2.gz TYJWNKCCJAYYBH-ZCFIWIBFSA-N -1 1 267.289 1.112 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@@H](F)C1 ZINC001607017279 1164060617 /nfs/dbraw/zinc/06/06/17/1164060617.db2.gz TYJWNKCCJAYYBH-ZCFIWIBFSA-N -1 1 267.289 1.112 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1Cc2ccccc2C1 ZINC001607026070 1164062407 /nfs/dbraw/zinc/06/24/07/1164062407.db2.gz WVXIPVXPBKDWOD-UHFFFAOYSA-N -1 1 292.302 1.418 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1Cc2ccccc2C1 ZINC001607026070 1164062412 /nfs/dbraw/zinc/06/24/12/1164062412.db2.gz WVXIPVXPBKDWOD-UHFFFAOYSA-N -1 1 292.302 1.418 20 0 CDADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@@H]2C[C@@H]21 ZINC001607022707 1164063195 /nfs/dbraw/zinc/06/31/95/1164063195.db2.gz ZQTNXIJTECAFDV-KCJUWKMLSA-N -1 1 287.298 1.630 20 0 CDADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@@H]2C[C@@H]21 ZINC001607022707 1164063200 /nfs/dbraw/zinc/06/32/00/1164063200.db2.gz ZQTNXIJTECAFDV-KCJUWKMLSA-N -1 1 287.298 1.630 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC(F)(F)CC1 ZINC001607026005 1164063795 /nfs/dbraw/zinc/06/37/95/1164063795.db2.gz SWLKGNPFUHZJTH-UHFFFAOYSA-N -1 1 294.265 1.133 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC(F)(F)CC1 ZINC001607026005 1164063798 /nfs/dbraw/zinc/06/37/98/1164063798.db2.gz SWLKGNPFUHZJTH-UHFFFAOYSA-N -1 1 294.265 1.133 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@H]2CCC[C@H]21 ZINC001607033072 1164065448 /nfs/dbraw/zinc/06/54/48/1164065448.db2.gz PIFJJBFCDJITHB-MWLCHTKSSA-N -1 1 287.323 1.864 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@H]2CCC[C@H]21 ZINC001607033072 1164065451 /nfs/dbraw/zinc/06/54/51/1164065451.db2.gz PIFJJBFCDJITHB-MWLCHTKSSA-N -1 1 287.323 1.864 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1cccnc1Cl ZINC001607090398 1164076049 /nfs/dbraw/zinc/07/60/49/1164076049.db2.gz OVAVRFVMAWNFBN-UHFFFAOYSA-N -1 1 288.698 1.125 20 0 CDADMM c1c(NCC2CCC2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001607114096 1164093186 /nfs/dbraw/zinc/09/31/86/1164093186.db2.gz FPNZKGMAGCUBOQ-UHFFFAOYSA-N -1 1 271.328 1.746 20 0 CDADMM c1c(NCC2CCC2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001607114096 1164093192 /nfs/dbraw/zinc/09/31/92/1164093192.db2.gz FPNZKGMAGCUBOQ-UHFFFAOYSA-N -1 1 271.328 1.746 20 0 CDADMM COc1cc(CN[C@H](CF)C(=O)[O-])ccc1OC(F)F ZINC001607163684 1164125156 /nfs/dbraw/zinc/12/51/56/1164125156.db2.gz ARMVRKJTBWIMNA-MRVPVSSYSA-N -1 1 293.241 1.809 20 0 CDADMM COc1cccc([C@H](N)C(=O)NCC(C)(C)CC(=O)[O-])c1 ZINC001607314066 1164145503 /nfs/dbraw/zinc/14/55/03/1164145503.db2.gz VGJSDMCGLUIVNP-ZDUSSCGKSA-N -1 1 294.351 1.312 20 0 CDADMM Cc1cc(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)oc1C(=O)[O-] ZINC001607647939 1164257787 /nfs/dbraw/zinc/25/77/87/1164257787.db2.gz LGCNQAYLODPKGU-MKPLZMMCSA-N -1 1 292.335 1.385 20 0 CDADMM Cc1cc(N)nc(N2CCc3c(cccc3C(=O)[O-])C2)n1 ZINC001607669013 1164264020 /nfs/dbraw/zinc/26/40/20/1164264020.db2.gz BQKJOKLZANDPDU-UHFFFAOYSA-N -1 1 284.319 1.628 20 0 CDADMM Cc1nc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)c(C)o1 ZINC001607957182 1164353460 /nfs/dbraw/zinc/35/34/60/1164353460.db2.gz OTYIOZYIOXVVOT-NSHDSACASA-N -1 1 264.325 1.978 20 0 CDADMM Cc1[nH+]c(N2CC[C@H](C)[C@@H](C(=O)[O-])C2)ccc1C(=O)[O-] ZINC001607961368 1164355052 /nfs/dbraw/zinc/35/50/52/1164355052.db2.gz UPRIZVOZRJKKTQ-KWQFWETISA-N -1 1 278.308 1.635 20 0 CDADMM COc1cc(C(=O)Nc2nnco2)cc(Cl)c1[O-] ZINC001191129328 1164379903 /nfs/dbraw/zinc/37/99/03/1164379903.db2.gz IWPHPISSOXMQJL-UHFFFAOYSA-N -1 1 269.644 1.690 20 0 CDADMM O=C(NC1(c2ncccn2)CC1)c1cc([O-])cc(F)c1F ZINC001192684698 1164383428 /nfs/dbraw/zinc/38/34/28/1164383428.db2.gz TZHYDIUHKFQDCR-UHFFFAOYSA-N -1 1 291.257 1.880 20 0 CDADMM NC(=O)C12CCC(CC1)N2Cc1ccccc1C(=O)[O-] ZINC001608229565 1164461810 /nfs/dbraw/zinc/46/18/10/1164461810.db2.gz LRJWRJHMZTZSMO-UHFFFAOYSA-N -1 1 274.320 1.367 20 0 CDADMM NCc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])co1 ZINC001608257423 1164472572 /nfs/dbraw/zinc/47/25/72/1164472572.db2.gz MAKCRSFNWLXZBR-ZDUSSCGKSA-N -1 1 288.303 1.164 20 0 CDADMM O=C([O-])c1sccc1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC001608413777 1164510720 /nfs/dbraw/zinc/51/07/20/1164510720.db2.gz GDIWPINANYBURM-SSDOTTSWSA-N -1 1 291.332 1.457 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](NC(=O)c2ccc(Cl)c(O)c2)[C@H]2C[C@H]21 ZINC001608491333 1164526451 /nfs/dbraw/zinc/52/64/51/1164526451.db2.gz YUFCLBNCNKNABN-LOKLDPHHSA-N -1 1 295.722 1.885 20 0 CDADMM O=C([O-])[C@H](CC(F)F)NCc1cc2n(n1)CCC2 ZINC001608530586 1164534456 /nfs/dbraw/zinc/53/44/56/1164534456.db2.gz ZPRGMQFLOSVDEL-VIFPVBQESA-N -1 1 259.256 1.027 20 0 CDADMM O=C([O-])[C@H](C[C@H]1CCCO1)NCc1cc2cccnc2o1 ZINC001608533689 1164535319 /nfs/dbraw/zinc/53/53/19/1164535319.db2.gz WXYKERMRFRYPLN-YPMHNXCESA-N -1 1 290.319 1.940 20 0 CDADMM O=C([O-])[C@H](NCc1n[nH]cc1Br)C1CC1 ZINC001608548696 1164541814 /nfs/dbraw/zinc/54/18/14/1164541814.db2.gz QABVYJZUEPRFIU-MRVPVSSYSA-N -1 1 274.118 1.125 20 0 CDADMM O=C([O-])[C@@H](O)C1CCN(Cc2n[nH]c3ccccc32)CC1 ZINC001608556734 1164543884 /nfs/dbraw/zinc/54/38/84/1164543884.db2.gz FJAPEVUCAASZPY-AWEZNQCLSA-N -1 1 289.335 1.220 20 0 CDADMM O=C([O-])[C@]1(O)CCN(Cc2cscc2Cl)C1 ZINC001608578634 1164554460 /nfs/dbraw/zinc/55/44/60/1164554460.db2.gz IQQMTYDMXUNTIF-JTQLQIEISA-N -1 1 261.730 1.423 20 0 CDADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1cccs1)C[C@H]2C(=O)[O-] ZINC001608611468 1164571730 /nfs/dbraw/zinc/57/17/30/1164571730.db2.gz ROGUXKLRFZJTJC-ZQDGQSPWSA-N -1 1 295.360 1.746 20 0 CDADMM O=C([O-])[C@@H]1CCN(Cc2c[nH]cn2)[C@@H]([C@H]2CCCO2)C1 ZINC001608634630 1164583869 /nfs/dbraw/zinc/58/38/69/1164583869.db2.gz XUECKNGXNZIYOT-RAIGVLPGSA-N -1 1 279.340 1.254 20 0 CDADMM O=C([O-])c1cc(CNC[C@H](O)CCc2ccccc2)on1 ZINC001608843851 1164660682 /nfs/dbraw/zinc/66/06/82/1164660682.db2.gz IIMADMXYBUOYDJ-GFCCVEGCSA-N -1 1 290.319 1.456 20 0 CDADMM O=C([O-])c1ccc(C(=O)NCc2ccc3nc[nH]c3c2)o1 ZINC001608874661 1164668910 /nfs/dbraw/zinc/66/89/10/1164668910.db2.gz TXMXDWXBTQWVOC-UHFFFAOYSA-N -1 1 285.259 1.784 20 0 CDADMM O=C([O-])c1ccc(CN2CC[C@H](O)[C@@H](CO)C2)cc1Cl ZINC001608881628 1164673211 /nfs/dbraw/zinc/67/32/11/1164673211.db2.gz IQSTVWSMLIQTQQ-MFKMUULPSA-N -1 1 299.754 1.213 20 0 CDADMM O=C([O-])c1coc(C(=O)NCc2ccc3cncn3c2)c1 ZINC001608986770 1164708743 /nfs/dbraw/zinc/70/87/43/1164708743.db2.gz VFNXEFKWQGIWEQ-UHFFFAOYSA-N -1 1 285.259 1.556 20 0 CDADMM O=C([O-])c1coc(C[N@H+]2CCC[C@H](c3n[n-]c(=O)o3)C2)c1 ZINC001608987890 1164710258 /nfs/dbraw/zinc/71/02/58/1164710258.db2.gz YACPRRLDAUBEML-QMMMGPOBSA-N -1 1 293.279 1.446 20 0 CDADMM CC(C)SCCOC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609104149 1164769356 /nfs/dbraw/zinc/76/93/56/1164769356.db2.gz SRHXYAYKHAMWRV-UHFFFAOYSA-N -1 1 293.352 1.560 20 0 CDADMM CC(C)SCCOC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609104149 1164769363 /nfs/dbraw/zinc/76/93/63/1164769363.db2.gz SRHXYAYKHAMWRV-UHFFFAOYSA-N -1 1 293.352 1.560 20 0 CDADMM C[C@@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001609113285 1164775286 /nfs/dbraw/zinc/77/52/86/1164775286.db2.gz LWIFWYNTDCRTPD-QMMMGPOBSA-N -1 1 287.327 1.429 20 0 CDADMM C[C@@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001609113285 1164775292 /nfs/dbraw/zinc/77/52/92/1164775292.db2.gz LWIFWYNTDCRTPD-QMMMGPOBSA-N -1 1 287.327 1.429 20 0 CDADMM C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccncc1 ZINC001609132319 1164785767 /nfs/dbraw/zinc/78/57/67/1164785767.db2.gz QZHZWULZOBNSNZ-VIFPVBQESA-N -1 1 296.290 1.575 20 0 CDADMM C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001609132319 1164785776 /nfs/dbraw/zinc/78/57/76/1164785776.db2.gz QZHZWULZOBNSNZ-VIFPVBQESA-N -1 1 296.290 1.575 20 0 CDADMM CC1=C[C@@H](C)CN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001609151033 1164800665 /nfs/dbraw/zinc/80/06/65/1164800665.db2.gz ACEAEUGJFQTCCH-MRVPVSSYSA-N -1 1 257.301 1.059 20 0 CDADMM CC1=C[C@@H](C)CN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001609151033 1164800669 /nfs/dbraw/zinc/80/06/69/1164800669.db2.gz ACEAEUGJFQTCCH-MRVPVSSYSA-N -1 1 257.301 1.059 20 0 CDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)o1)c1ccc(F)cc1 ZINC001609262599 1164871202 /nfs/dbraw/zinc/87/12/02/1164871202.db2.gz DVINRNMNLTUVRE-UHFFFAOYSA-N -1 1 287.254 1.875 20 0 CDADMM CN(CCC(C)(C)C)c1ncncc1-c1nn[n-]n1 ZINC001609274197 1164876385 /nfs/dbraw/zinc/87/63/85/1164876385.db2.gz DHCHZTAQIJAVBB-UHFFFAOYSA-N -1 1 261.333 1.529 20 0 CDADMM COC1(C(=O)Nc2snc(C)c2-c2nnn[n-]2)CCC1 ZINC001609311272 1164891410 /nfs/dbraw/zinc/89/14/10/1164891410.db2.gz RUNYJOLLCGGGMF-UHFFFAOYSA-N -1 1 294.340 1.139 20 0 CDADMM COC1(C(=O)Nc2snc(C)c2-c2nn[n-]n2)CCC1 ZINC001609311272 1164891421 /nfs/dbraw/zinc/89/14/21/1164891421.db2.gz RUNYJOLLCGGGMF-UHFFFAOYSA-N -1 1 294.340 1.139 20 0 CDADMM CS[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001609369934 1164913437 /nfs/dbraw/zinc/91/34/37/1164913437.db2.gz PPAJEVBLEZOLAS-SFYZADRCSA-N -1 1 277.357 1.353 20 0 CDADMM CS[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001609369934 1164913442 /nfs/dbraw/zinc/91/34/42/1164913442.db2.gz PPAJEVBLEZOLAS-SFYZADRCSA-N -1 1 277.357 1.353 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C)[C@@H](C)[C@H]2C)n1 ZINC001609391271 1164921668 /nfs/dbraw/zinc/92/16/68/1164921668.db2.gz BVVBXQXBRAZKAA-FXBDTBDDSA-N -1 1 273.344 1.446 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](C)[C@@H](C)[C@H]2C)n1 ZINC001609391271 1164921671 /nfs/dbraw/zinc/92/16/71/1164921671.db2.gz BVVBXQXBRAZKAA-FXBDTBDDSA-N -1 1 273.344 1.446 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C)[C@@H](C)[C@@H]2C)n1 ZINC001609391273 1164922297 /nfs/dbraw/zinc/92/22/97/1164922297.db2.gz BVVBXQXBRAZKAA-SFGNSQDASA-N -1 1 273.344 1.446 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](C)[C@@H](C)[C@@H]2C)n1 ZINC001609391273 1164922303 /nfs/dbraw/zinc/92/23/03/1164922303.db2.gz BVVBXQXBRAZKAA-SFGNSQDASA-N -1 1 273.344 1.446 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCSC2)n1 ZINC001609392066 1164926869 /nfs/dbraw/zinc/92/68/69/1164926869.db2.gz FUMHEQHLUAVCTC-SECBINFHSA-N -1 1 291.384 1.520 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCSC2)n1 ZINC001609392066 1164926872 /nfs/dbraw/zinc/92/68/72/1164926872.db2.gz FUMHEQHLUAVCTC-SECBINFHSA-N -1 1 291.384 1.520 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(Oc2ccc(F)cc2)n1 ZINC001609393003 1164927007 /nfs/dbraw/zinc/92/70/07/1164927007.db2.gz RYRIKTXZCDHJOE-UHFFFAOYSA-N -1 1 272.243 1.897 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(Oc2ccc(F)cc2)n1 ZINC001609393003 1164927013 /nfs/dbraw/zinc/92/70/13/1164927013.db2.gz RYRIKTXZCDHJOE-UHFFFAOYSA-N -1 1 272.243 1.897 20 0 CDADMM Cc1cc(NC[C@@](C)(O)C(C)C)cc(-c2nnn[n-]2)n1 ZINC001609409720 1164935757 /nfs/dbraw/zinc/93/57/57/1164935757.db2.gz VBCHPEZHUVCAQS-CYBMUJFWSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1ccc(N(C)CCc2cnccn2)nc1-c1nnn[n-]1 ZINC001609424941 1164941013 /nfs/dbraw/zinc/94/10/13/1164941013.db2.gz PFGKNPRNXVHHEI-UHFFFAOYSA-N -1 1 296.338 1.039 20 0 CDADMM Cc1ccc(N(C)CCc2cnccn2)nc1-c1nn[n-]n1 ZINC001609424941 1164941016 /nfs/dbraw/zinc/94/10/16/1164941016.db2.gz PFGKNPRNXVHHEI-UHFFFAOYSA-N -1 1 296.338 1.039 20 0 CDADMM Cc1ccc(N[C@H]2CCS[C@H]2C)nc1-c1nnn[n-]1 ZINC001609426054 1164943526 /nfs/dbraw/zinc/94/35/26/1164943526.db2.gz BQKKQDFUCVXPEV-IUCAKERBSA-N -1 1 276.369 1.876 20 0 CDADMM Cc1ccc(N[C@H]2CCS[C@H]2C)nc1-c1nn[n-]n1 ZINC001609426054 1164943534 /nfs/dbraw/zinc/94/35/34/1164943534.db2.gz BQKKQDFUCVXPEV-IUCAKERBSA-N -1 1 276.369 1.876 20 0 CDADMM Cc1ccnc(COc2cccnc2-c2nnn[n-]2)c1 ZINC001609438573 1164944731 /nfs/dbraw/zinc/94/47/31/1164944731.db2.gz SBCYWFMTTAXJLP-UHFFFAOYSA-N -1 1 268.280 1.544 20 0 CDADMM Cc1ccnc(COc2cccnc2-c2nn[n-]n2)c1 ZINC001609438573 1164944734 /nfs/dbraw/zinc/94/47/34/1164944734.db2.gz SBCYWFMTTAXJLP-UHFFFAOYSA-N -1 1 268.280 1.544 20 0 CDADMM Cc1cc[nH]c(=NOCCOC(C)C)c1-c1nn[n-]n1 ZINC001609439200 1164949499 /nfs/dbraw/zinc/94/94/99/1164949499.db2.gz QNNADNMQKRVQQQ-UHFFFAOYSA-N -1 1 278.316 1.339 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCCCCCO ZINC001609468098 1164963578 /nfs/dbraw/zinc/96/35/78/1164963578.db2.gz FYOWEKSNCVKFSY-UHFFFAOYSA-N -1 1 294.311 1.478 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCCCCCO ZINC001609468098 1164963585 /nfs/dbraw/zinc/96/35/85/1164963585.db2.gz FYOWEKSNCVKFSY-UHFFFAOYSA-N -1 1 294.311 1.478 20 0 CDADMM C=Cn1cc(CN[C@@H](C(=O)[O-])c2cccc(O)c2)cn1 ZINC001609488799 1164972898 /nfs/dbraw/zinc/97/28/98/1164972898.db2.gz METYEIKTCNBDJT-CYBMUJFWSA-N -1 1 273.292 1.605 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1CCCSC1 ZINC001609566925 1164990341 /nfs/dbraw/zinc/99/03/41/1164990341.db2.gz LAKMMWHBOHYHEZ-MRVPVSSYSA-N -1 1 290.352 1.343 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1CCCSC1 ZINC001609566925 1164990345 /nfs/dbraw/zinc/99/03/45/1164990345.db2.gz LAKMMWHBOHYHEZ-MRVPVSSYSA-N -1 1 290.352 1.343 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@H]1CCCS1 ZINC001609577192 1164992679 /nfs/dbraw/zinc/99/26/79/1164992679.db2.gz CKHHJHFZMDBWKD-SECBINFHSA-N -1 1 291.336 1.201 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@H]1CCCS1 ZINC001609577192 1164992684 /nfs/dbraw/zinc/99/26/84/1164992684.db2.gz CKHHJHFZMDBWKD-SECBINFHSA-N -1 1 291.336 1.201 20 0 CDADMM O=C(OC[C@@H]1CC1(F)F)c1sccc1-c1nn[n-]n1 ZINC001609573943 1164994226 /nfs/dbraw/zinc/99/42/26/1164994226.db2.gz YJQBRGJPKFSCIA-YFKPBYRVSA-N -1 1 286.263 1.740 20 0 CDADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)C1(F)CCCC1 ZINC001609578612 1164996975 /nfs/dbraw/zinc/99/69/75/1164996975.db2.gz SBGOCLONKNOZFY-UHFFFAOYSA-N -1 1 297.315 1.649 20 0 CDADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)C1(F)CCCC1 ZINC001609578612 1164996980 /nfs/dbraw/zinc/99/69/80/1164996980.db2.gz SBGOCLONKNOZFY-UHFFFAOYSA-N -1 1 297.315 1.649 20 0 CDADMM CO[C@@H](CN[C@H](C(=O)[O-])c1ccsc1)C1CC1 ZINC001610230287 1165255225 /nfs/dbraw/zinc/25/52/25/1165255225.db2.gz YNCYNYZDPMVODW-QWRGUYRKSA-N -1 1 255.339 1.888 20 0 CDADMM Cn1nncc1CN[C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001610617553 1165380389 /nfs/dbraw/zinc/38/03/89/1165380389.db2.gz ATIZGUIAEGISKC-CQSZACIVSA-N -1 1 292.314 1.434 20 0 CDADMM O=C([O-])C[C@]1(NC/C(Cl)=C/Cl)CCCOC1 ZINC001610758473 1165431518 /nfs/dbraw/zinc/43/15/18/1165431518.db2.gz NWQZAPJADKEONI-DAGBOUIGSA-N -1 1 268.140 1.919 20 0 CDADMM O=C([O-])c1cc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c[nH]1 ZINC001610811121 1165450476 /nfs/dbraw/zinc/45/04/76/1165450476.db2.gz NGDCVJUJPVKQLN-UHTWSYAYSA-N -1 1 292.335 1.931 20 0 CDADMM O=C([O-])c1ccc(CN2CCC(Cn3cncn3)CC2)[nH]1 ZINC001610826515 1165455858 /nfs/dbraw/zinc/45/58/58/1165455858.db2.gz YPABSKWGDXZDGP-UHFFFAOYSA-N -1 1 289.339 1.217 20 0 CDADMM O=C([O-])c1sccc1CN1CCc2n[nH]c(=O)cc2C1 ZINC001610875357 1165471976 /nfs/dbraw/zinc/47/19/76/1165471976.db2.gz LZDDBLODRRDNIQ-UHFFFAOYSA-N -1 1 291.332 1.500 20 0 CDADMM O=C(c1ncc2ccccc2c1[O-])N1CC(n2cncn2)C1 ZINC001614580502 1165544970 /nfs/dbraw/zinc/54/49/70/1165544970.db2.gz FLCFVDZKBWMYRB-UHFFFAOYSA-N -1 1 295.302 1.229 20 0 CDADMM O=C(Nc1cccc2c1OCO2)c1ccc([O-])cn1 ZINC001625025911 1165881675 /nfs/dbraw/zinc/88/16/75/1165881675.db2.gz CQWWDMIQHSUPSI-UHFFFAOYSA-N -1 1 258.233 1.768 20 0 CDADMM O=C(NCc1nn[n-]n1)c1cccc(Oc2ccccn2)c1 ZINC001628115452 1166041526 /nfs/dbraw/zinc/04/15/26/1166041526.db2.gz JITUBDDIDQXDMI-UHFFFAOYSA-N -1 1 296.290 1.317 20 0 CDADMM O=C(CCCc1nn[n-]n1)Nc1cccc2cnccc21 ZINC001629233092 1166124120 /nfs/dbraw/zinc/12/41/20/1166124120.db2.gz CAJCRLTUCDJPFT-UHFFFAOYSA-N -1 1 282.307 1.709 20 0 CDADMM CC1(C)Cc2cc(C(=O)OCc3nn[n-]n3)ccc2O1 ZINC001649228192 1166165436 /nfs/dbraw/zinc/16/54/36/1166165436.db2.gz NQYOQUWAJXJAJL-UHFFFAOYSA-N -1 1 274.280 1.270 20 0 CDADMM C[C@H]1Cc2cnccc2N1C(=O)c1ccc([O-])cn1 ZINC001635022839 1166555180 /nfs/dbraw/zinc/55/51/80/1166555180.db2.gz WKPXOTYEQQCUMF-VIFPVBQESA-N -1 1 255.277 1.774 20 0 CDADMM CC(C)OC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000095208564 1166607273 /nfs/dbraw/zinc/60/72/73/1166607273.db2.gz MPXSSUYZMDDHHN-UHFFFAOYSA-N -1 1 280.259 1.336 20 0 CDADMM CC(C)OC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000095208564 1166607278 /nfs/dbraw/zinc/60/72/78/1166607278.db2.gz MPXSSUYZMDDHHN-UHFFFAOYSA-N -1 1 280.259 1.336 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(Nc2ccccc2)n1 ZINC000095331706 1166621731 /nfs/dbraw/zinc/62/17/31/1166621731.db2.gz IDEZPZHOSVNNLC-UHFFFAOYSA-N -1 1 253.269 1.709 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(Nc2ccccc2)n1 ZINC000095331706 1166621735 /nfs/dbraw/zinc/62/17/35/1166621735.db2.gz IDEZPZHOSVNNLC-UHFFFAOYSA-N -1 1 253.269 1.709 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1Cc2cccnc2C1 ZINC001155246113 1167108996 /nfs/dbraw/zinc/10/89/96/1167108996.db2.gz ULRBOXSVDZORGX-UHFFFAOYSA-N -1 1 288.332 1.330 20 0 CDADMM Cc1c[nH]c(CCNC(=O)c2[n-][nH]c3cc(=O)ccc2-3)n1 ZINC001155269925 1167112610 /nfs/dbraw/zinc/11/26/10/1167112610.db2.gz VIHZRYOLCCHZPO-UHFFFAOYSA-N -1 1 285.307 1.273 20 0 CDADMM Cc1cccc2c(O)c(C(=O)Nc3c[n-][nH]c3=O)cnc12 ZINC001641598140 1167123210 /nfs/dbraw/zinc/12/32/10/1167123210.db2.gz LKZYQRVQTRAHBJ-UHFFFAOYSA-N -1 1 284.275 1.518 20 0 CDADMM O=C(NCc1nc([O-])cc(=O)[nH]1)c1ccc2ccncc2c1 ZINC001642460432 1167175939 /nfs/dbraw/zinc/17/59/39/1167175939.db2.gz YWJPIPBFANYAQS-UHFFFAOYSA-N -1 1 296.286 1.366 20 0 CDADMM O=C(c1ccc2cc[nH]c2n1)N1CCC(c2nn[n-]n2)CC1 ZINC001644045206 1167289095 /nfs/dbraw/zinc/28/90/95/1167289095.db2.gz ITXIZMNGTUZTFM-UHFFFAOYSA-N -1 1 297.322 1.096 20 0 CDADMM O=S(=O)([N-][C@H]1CC[C@H](O)C1)c1cc(F)ccc1F ZINC000352309667 1167318213 /nfs/dbraw/zinc/31/82/13/1167318213.db2.gz AKBDNJCFQSNGKE-IUCAKERBSA-N -1 1 277.292 1.157 20 0 CDADMM Cn1ncnc1CN1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001647253159 1168493713 /nfs/dbraw/zinc/49/37/13/1168493713.db2.gz JQUISLWANLREJS-HNNXBMFYSA-N -1 1 286.335 1.043 20 0 CDADMM O=C([N-]c1nc[nH]n1)c1cc(Br)co1 ZINC001649397549 1169248739 /nfs/dbraw/zinc/24/87/39/1169248739.db2.gz VJTPIMJPSACMCE-UHFFFAOYSA-N -1 1 257.047 1.413 20 0 CDADMM CC1(C)CN(C(=O)c2cnc(C3CC3)[n-]c2=O)CC[C@@H]1O ZINC001650020601 1169617921 /nfs/dbraw/zinc/61/79/21/1169617921.db2.gz LJYXQQBRJSYCFU-NSHDSACASA-N -1 1 291.351 1.293 20 0 CDADMM Cc1cccc(CN(C)C(=O)c2ccc([O-])cn2)n1 ZINC001570362805 1170143605 /nfs/dbraw/zinc/14/36/05/1170143605.db2.gz DIZNOTXMEQNJKI-UHFFFAOYSA-N -1 1 257.293 1.763 20 0 CDADMM CN1CCC[C@@H](NC(=O)c2ncc(C(=O)[O-])cc2Cl)C1 ZINC001573883311 1170816585 /nfs/dbraw/zinc/81/65/85/1170816585.db2.gz UKXBBXPCCXYWSI-SECBINFHSA-N -1 1 297.742 1.257 20 0 CDADMM CO[C@H]1CCC[C@H]1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001650243543 1170881290 /nfs/dbraw/zinc/88/12/90/1170881290.db2.gz YJTRXIDGBCHFKT-SKDRFNHKSA-N -1 1 274.324 1.095 20 0 CDADMM O=C([O-])[C@@H](F)C1CN(C(=O)c2c3[nH]cnc3ccc2F)C1 ZINC001574352339 1170955182 /nfs/dbraw/zinc/95/51/82/1170955182.db2.gz HATDNVGHNCHCKN-JTQLQIEISA-N -1 1 295.245 1.197 20 0 CDADMM O=C([O-])[C@@H]1C[C@H]1CN1CCc2c(ncn2-c2ccccc2)C1 ZINC001574395325 1170967363 /nfs/dbraw/zinc/96/73/63/1170967363.db2.gz AUSSAIYAXAZKOD-GXTWGEPZSA-N -1 1 297.358 1.951 20 0 CDADMM O=C([O-])c1n[nH]c(CN[C@H]2CCOC3(CCCC3)C2)n1 ZINC001574422407 1170976653 /nfs/dbraw/zinc/97/66/53/1170976653.db2.gz AQEJSHSRMDGWHD-VIFPVBQESA-N -1 1 280.328 1.084 20 0 CDADMM Cn1ccnc1CCNC(=O)c1cccc([O-])c1F ZINC001651652584 1171343651 /nfs/dbraw/zinc/34/36/51/1171343651.db2.gz GEGZDBJJELHPDA-UHFFFAOYSA-N -1 1 263.272 1.237 20 0 CDADMM Cc1ccc([C@@H]2C[C@H]2Nc2nccnc2-c2nnn[n-]2)cc1 ZINC001581213607 1172595693 /nfs/dbraw/zinc/59/56/93/1172595693.db2.gz AXGVNDQZFJNUCD-NWDGAFQWSA-N -1 1 293.334 1.933 20 0 CDADMM Cc1ccc([C@@H]2C[C@H]2Nc2nccnc2-c2nn[n-]n2)cc1 ZINC001581213607 1172595701 /nfs/dbraw/zinc/59/57/01/1172595701.db2.gz AXGVNDQZFJNUCD-NWDGAFQWSA-N -1 1 293.334 1.933 20 0 CDADMM Cc1nc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)co1 ZINC001581434261 1172609449 /nfs/dbraw/zinc/60/94/49/1172609449.db2.gz UUKHCYRWAVMRCK-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM O=c1c(-c2nn[n-]n2)cc2c(n1CCCCF)CCC2 ZINC001582806897 1172691880 /nfs/dbraw/zinc/69/18/80/1172691880.db2.gz TVNVOZCNIOBHAF-UHFFFAOYSA-N -1 1 277.303 1.267 20 0 CDADMM Cn1nnnc1-c1cccc(NC(=O)c2ccc([O-])cn2)c1 ZINC001587837972 1173002826 /nfs/dbraw/zinc/00/28/26/1173002826.db2.gz JNKXQHKCFYIAGD-UHFFFAOYSA-N -1 1 296.290 1.230 20 0 CDADMM C=C=CCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001588466954 1173066567 /nfs/dbraw/zinc/06/65/67/1173066567.db2.gz XSCUXOXPKNMCRW-UHFFFAOYSA-N -1 1 265.280 1.563 20 0 CDADMM C=C=CCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001588466954 1173066573 /nfs/dbraw/zinc/06/65/73/1173066573.db2.gz XSCUXOXPKNMCRW-UHFFFAOYSA-N -1 1 265.280 1.563 20 0 CDADMM CC(C)[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001589499491 1173151777 /nfs/dbraw/zinc/15/17/77/1173151777.db2.gz ADNRXKBWKWWABG-MWLCHTKSSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001589499491 1173151780 /nfs/dbraw/zinc/15/17/80/1173151780.db2.gz ADNRXKBWKWWABG-MWLCHTKSSA-N -1 1 289.343 1.272 20 0 CDADMM C[C@H](CCC1CC1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589805106 1173187321 /nfs/dbraw/zinc/18/73/21/1173187321.db2.gz HDTJIGVMJFKCAX-SECBINFHSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@H](CCC1CC1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589805106 1173187330 /nfs/dbraw/zinc/18/73/30/1173187330.db2.gz HDTJIGVMJFKCAX-SECBINFHSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@H](CCc1ccco1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001589837402 1173190979 /nfs/dbraw/zinc/19/09/79/1173190979.db2.gz YTTLBICVPYPRAM-SECBINFHSA-N -1 1 285.311 1.683 20 0 CDADMM C[C@H](CCc1ccco1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001589837402 1173190983 /nfs/dbraw/zinc/19/09/83/1173190983.db2.gz YTTLBICVPYPRAM-SECBINFHSA-N -1 1 285.311 1.683 20 0 CDADMM C[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)C1(C)CC1 ZINC001589948207 1173208457 /nfs/dbraw/zinc/20/84/57/1173208457.db2.gz HJKRFOKIAXOQAU-ZETCQYMHSA-N -1 1 277.353 1.847 20 0 CDADMM CC1(C)[C@H](CNc2cccnc2-c2nnn[n-]2)C1(F)F ZINC001590077716 1173246911 /nfs/dbraw/zinc/24/69/11/1173246911.db2.gz YIQUYJAKVQONIL-QMMMGPOBSA-N -1 1 280.282 1.965 20 0 CDADMM CC1(C)[C@H](CNc2cccnc2-c2nn[n-]n2)C1(F)F ZINC001590077716 1173246918 /nfs/dbraw/zinc/24/69/18/1173246918.db2.gz YIQUYJAKVQONIL-QMMMGPOBSA-N -1 1 280.282 1.965 20 0 CDADMM C[C@@H]1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CO1 ZINC001590212356 1173294105 /nfs/dbraw/zinc/29/41/05/1173294105.db2.gz RKYGQVDHVFHCQX-UHNVWZDZSA-N -1 1 286.748 1.566 20 0 CDADMM CC1(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)CCCC1 ZINC001590123051 1173265282 /nfs/dbraw/zinc/26/52/82/1173265282.db2.gz BAUJPMSMDAWTLC-UHFFFAOYSA-N -1 1 275.316 1.499 20 0 CDADMM CC1(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)CCCC1 ZINC001590123051 1173265286 /nfs/dbraw/zinc/26/52/86/1173265286.db2.gz BAUJPMSMDAWTLC-UHFFFAOYSA-N -1 1 275.316 1.499 20 0 CDADMM CC1(CSCc2ccc(-c3nnn[n-]3)o2)COC1 ZINC001590138733 1173270369 /nfs/dbraw/zinc/27/03/69/1173270369.db2.gz DSBVBYQPTYOVKJ-UHFFFAOYSA-N -1 1 266.326 1.729 20 0 CDADMM CC1(CSCc2ccc(-c3nn[n-]n3)o2)COC1 ZINC001590138733 1173270373 /nfs/dbraw/zinc/27/03/73/1173270373.db2.gz DSBVBYQPTYOVKJ-UHFFFAOYSA-N -1 1 266.326 1.729 20 0 CDADMM CC1(NC(=O)c2csc(-c3nn[n-]n3)c2)CCC1 ZINC001590147283 1173272973 /nfs/dbraw/zinc/27/29/73/1173272973.db2.gz UUHQRGVPUYWJPJ-UHFFFAOYSA-N -1 1 263.326 1.601 20 0 CDADMM C[C@@]1(c2ccccc2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001590152223 1173274793 /nfs/dbraw/zinc/27/47/93/1173274793.db2.gz SPSSCHRMSLTUSD-WFASDCNBSA-N -1 1 293.334 1.799 20 0 CDADMM C[C@@]1(c2ccccc2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001590152223 1173274798 /nfs/dbraw/zinc/27/47/98/1173274798.db2.gz SPSSCHRMSLTUSD-WFASDCNBSA-N -1 1 293.334 1.799 20 0 CDADMM CC1=CCCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001590159442 1173278740 /nfs/dbraw/zinc/27/87/40/1173278740.db2.gz DRRMCUKTJPQLAG-UHFFFAOYSA-N -1 1 287.298 1.798 20 0 CDADMM CC1=CCCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001590159442 1173278747 /nfs/dbraw/zinc/27/87/47/1173278747.db2.gz DRRMCUKTJPQLAG-UHFFFAOYSA-N -1 1 287.298 1.798 20 0 CDADMM C[C@@H]1C[C@H](C(=O)OCc2ccc(-c3nn[n-]n3)s2)CO1 ZINC001590184095 1173280472 /nfs/dbraw/zinc/28/04/72/1173280472.db2.gz DIKDJXVMMSSXQK-SFYZADRCSA-N -1 1 294.336 1.396 20 0 CDADMM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590186287 1173281574 /nfs/dbraw/zinc/28/15/74/1173281574.db2.gz BRSGUSPGUKAMCZ-UTLUCORTSA-N -1 1 289.339 1.966 20 0 CDADMM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590186287 1173281579 /nfs/dbraw/zinc/28/15/79/1173281579.db2.gz BRSGUSPGUKAMCZ-UTLUCORTSA-N -1 1 289.339 1.966 20 0 CDADMM C[C@@H]1[C@H](C(F)(F)F)CCN1c1nccnc1-c1nnn[n-]1 ZINC001590166342 1173281865 /nfs/dbraw/zinc/28/18/65/1173281865.db2.gz ARPHIYFRXULKNI-RNFRBKRXSA-N -1 1 299.260 1.434 20 0 CDADMM C[C@@H]1[C@H](C(F)(F)F)CCN1c1nccnc1-c1nn[n-]n1 ZINC001590166342 1173281868 /nfs/dbraw/zinc/28/18/68/1173281868.db2.gz ARPHIYFRXULKNI-RNFRBKRXSA-N -1 1 299.260 1.434 20 0 CDADMM C[C@@H]1C[C@@H](C)N(C(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001590189654 1173284249 /nfs/dbraw/zinc/28/42/49/1173284249.db2.gz ITZXOUQFHDMRMU-HTQZYQBOSA-N -1 1 277.353 1.799 20 0 CDADMM C[C@@H]1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CO1 ZINC001590212356 1173294102 /nfs/dbraw/zinc/29/41/02/1173294102.db2.gz RKYGQVDHVFHCQX-UHNVWZDZSA-N -1 1 286.748 1.566 20 0 CDADMM C[C@@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001590237856 1173310261 /nfs/dbraw/zinc/31/02/61/1173310261.db2.gz CQLSHNBOGJXVMP-BBBLOLIVSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001590237856 1173310267 /nfs/dbraw/zinc/31/02/67/1173310267.db2.gz CQLSHNBOGJXVMP-BBBLOLIVSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CC[C@@H](OC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590241293 1173314574 /nfs/dbraw/zinc/31/45/74/1173314574.db2.gz VUACBUUMJAQHHF-MWLCHTKSSA-N -1 1 287.323 1.536 20 0 CDADMM C[C@@H]1CC[C@@H](OC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590241293 1173314579 /nfs/dbraw/zinc/31/45/79/1173314579.db2.gz VUACBUUMJAQHHF-MWLCHTKSSA-N -1 1 287.323 1.536 20 0 CDADMM CC=C(C=CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)CC ZINC001590350348 1173367823 /nfs/dbraw/zinc/36/78/23/1173367823.db2.gz QQQJMYMWXPBNCA-YOYJXUCXSA-N -1 1 298.350 1.790 20 0 CDADMM CC=C(C=CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)CC ZINC001590350348 1173367828 /nfs/dbraw/zinc/36/78/28/1173367828.db2.gz QQQJMYMWXPBNCA-YOYJXUCXSA-N -1 1 298.350 1.790 20 0 CDADMM C/C=C\C[C@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001590356337 1173373495 /nfs/dbraw/zinc/37/34/95/1173373495.db2.gz YQBRCRCPERNOLL-QUCGXOGASA-N -1 1 285.355 1.839 20 0 CDADMM C/C=C\C[C@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001590356337 1173373502 /nfs/dbraw/zinc/37/35/02/1173373502.db2.gz YQBRCRCPERNOLL-QUCGXOGASA-N -1 1 285.355 1.839 20 0 CDADMM CC[C@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)[C@@H]1CCCO1 ZINC001590472345 1173425102 /nfs/dbraw/zinc/42/51/02/1173425102.db2.gz TVIUWZRRUHGCJD-ONGXEEELSA-N -1 1 289.343 1.335 20 0 CDADMM CC[C@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)[C@@H]1CCCO1 ZINC001590472345 1173425106 /nfs/dbraw/zinc/42/51/06/1173425106.db2.gz TVIUWZRRUHGCJD-ONGXEEELSA-N -1 1 289.343 1.335 20 0 CDADMM CCC1(CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001590492168 1173433577 /nfs/dbraw/zinc/43/35/77/1173433577.db2.gz ILOMCXFADWJQMA-UHFFFAOYSA-N -1 1 287.327 1.573 20 0 CDADMM CCC1(CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001590492168 1173433581 /nfs/dbraw/zinc/43/35/81/1173433581.db2.gz ILOMCXFADWJQMA-UHFFFAOYSA-N -1 1 287.327 1.573 20 0 CDADMM CC[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590490485 1173434439 /nfs/dbraw/zinc/43/44/39/1173434439.db2.gz ZMRBGVVWFOEDAI-GFCCVEGCSA-N -1 1 259.317 1.283 20 0 CDADMM CC[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590490485 1173434444 /nfs/dbraw/zinc/43/44/44/1173434444.db2.gz ZMRBGVVWFOEDAI-GFCCVEGCSA-N -1 1 259.317 1.283 20 0 CDADMM CC[C@H]1CCCN(c2cc(-c3nnn[n-]3)nc(C)n2)CC1 ZINC001590513232 1173443378 /nfs/dbraw/zinc/44/33/78/1173443378.db2.gz PDZSOMNNDVIMLO-NSHDSACASA-N -1 1 287.371 1.982 20 0 CDADMM CC[C@H]1CCCN(c2cc(-c3nn[n-]n3)nc(C)n2)CC1 ZINC001590513232 1173443383 /nfs/dbraw/zinc/44/33/83/1173443383.db2.gz PDZSOMNNDVIMLO-NSHDSACASA-N -1 1 287.371 1.982 20 0 CDADMM CC[C@H]1CCCN1Cn1ccc(C)c(-c2nnn[n-]2)c1=O ZINC001590514668 1173445503 /nfs/dbraw/zinc/44/55/03/1173445503.db2.gz VUYBJBGEAGADER-NSHDSACASA-N -1 1 288.355 1.169 20 0 CDADMM CC[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001590517203 1173447060 /nfs/dbraw/zinc/44/70/60/1173447060.db2.gz LWTRYNSWHNBXIM-ZETCQYMHSA-N -1 1 292.730 1.540 20 0 CDADMM CCC[C@](C)(O)CNc1snc(C)c1-c1nn[n-]n1 ZINC001590544770 1173449037 /nfs/dbraw/zinc/44/90/37/1173449037.db2.gz ZTHUUPAYSYCZGQ-NSHDSACASA-N -1 1 282.373 1.595 20 0 CDADMM CCC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccn1 ZINC001590559305 1173462626 /nfs/dbraw/zinc/46/26/26/1173462626.db2.gz NSZGSZOZKUPEEA-NSHDSACASA-N -1 1 296.338 1.427 20 0 CDADMM CCCCn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001590616707 1173474451 /nfs/dbraw/zinc/47/44/51/1173474451.db2.gz BWSHOZOJORQINZ-UHFFFAOYSA-N -1 1 269.308 1.982 20 0 CDADMM CCCc1noc(Cn2c(C)c(C)nc2-c2nnn[n-]2)n1 ZINC001590661126 1173484009 /nfs/dbraw/zinc/48/40/09/1173484009.db2.gz WNPKWLFLBRQJAO-UHFFFAOYSA-N -1 1 288.315 1.064 20 0 CDADMM CCCc1noc(Cn2c(C)c(C)nc2-c2nn[n-]n2)n1 ZINC001590661126 1173484013 /nfs/dbraw/zinc/48/40/13/1173484013.db2.gz WNPKWLFLBRQJAO-UHFFFAOYSA-N -1 1 288.315 1.064 20 0 CDADMM CCN(C(=O)c1ccnc(-c2nnn[n-]2)c1)C1CCC1 ZINC001590674889 1173487564 /nfs/dbraw/zinc/48/75/64/1173487564.db2.gz GAKFAHLUVVFSJM-UHFFFAOYSA-N -1 1 272.312 1.276 20 0 CDADMM CCN(C(=O)c1ccnc(-c2nn[n-]n2)c1)C1CCC1 ZINC001590674889 1173487570 /nfs/dbraw/zinc/48/75/70/1173487570.db2.gz GAKFAHLUVVFSJM-UHFFFAOYSA-N -1 1 272.312 1.276 20 0 CDADMM CCOCC(C)(C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590799592 1173513892 /nfs/dbraw/zinc/51/38/92/1173513892.db2.gz GEFXXWQJCGYTKL-UHFFFAOYSA-N -1 1 291.359 1.440 20 0 CDADMM CCOCC(C)(C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590799592 1173513899 /nfs/dbraw/zinc/51/38/99/1173513899.db2.gz GEFXXWQJCGYTKL-UHFFFAOYSA-N -1 1 291.359 1.440 20 0 CDADMM CCc1cnc(CNc2cc(-c3nnn[n-]3)ncn2)s1 ZINC001590900478 1173537979 /nfs/dbraw/zinc/53/79/79/1173537979.db2.gz TXYJQEWTDPYMJW-UHFFFAOYSA-N -1 1 288.340 1.288 20 0 CDADMM CCc1cnc(CNc2cc(-c3nn[n-]n3)ncn2)s1 ZINC001590900478 1173537986 /nfs/dbraw/zinc/53/79/86/1173537986.db2.gz TXYJQEWTDPYMJW-UHFFFAOYSA-N -1 1 288.340 1.288 20 0 CDADMM CCc1nc(NC/C=C/Cl)cc(-c2nnn[n-]2)n1 ZINC001590919929 1173543158 /nfs/dbraw/zinc/54/31/58/1173543158.db2.gz OEMPXXZRAICSHS-ONEGZZNKSA-N -1 1 265.708 1.384 20 0 CDADMM CCc1nc(NC/C=C/Cl)cc(-c2nn[n-]n2)n1 ZINC001590919929 1173543161 /nfs/dbraw/zinc/54/31/61/1173543161.db2.gz OEMPXXZRAICSHS-ONEGZZNKSA-N -1 1 265.708 1.384 20 0 CDADMM CCc1nc(NC[C@@H](CC)OC)cc(-c2nnn[n-]2)n1 ZINC001590917581 1173543481 /nfs/dbraw/zinc/54/34/81/1173543481.db2.gz TWQYGWGYPIJUEP-MRVPVSSYSA-N -1 1 277.332 1.056 20 0 CDADMM CCc1nc(NC[C@@H](CC)OC)cc(-c2nn[n-]n2)n1 ZINC001590917581 1173543487 /nfs/dbraw/zinc/54/34/87/1173543487.db2.gz TWQYGWGYPIJUEP-MRVPVSSYSA-N -1 1 277.332 1.056 20 0 CDADMM CCc1ncoc1C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001590926445 1173543861 /nfs/dbraw/zinc/54/38/61/1173543861.db2.gz COZBOWWFQZRFDA-UHFFFAOYSA-N -1 1 299.294 1.089 20 0 CDADMM CCc1ncoc1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001590926445 1173543866 /nfs/dbraw/zinc/54/38/66/1173543866.db2.gz COZBOWWFQZRFDA-UHFFFAOYSA-N -1 1 299.294 1.089 20 0 CDADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC001590992711 1173557799 /nfs/dbraw/zinc/55/77/99/1173557799.db2.gz UZBOVDCKSIOMTP-UHFFFAOYSA-N -1 1 260.301 1.132 20 0 CDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001590992711 1173557802 /nfs/dbraw/zinc/55/78/02/1173557802.db2.gz UZBOVDCKSIOMTP-UHFFFAOYSA-N -1 1 260.301 1.132 20 0 CDADMM CN(C[Si](C)(C)C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591125227 1173574479 /nfs/dbraw/zinc/57/44/79/1173574479.db2.gz ANLLXUWPOIBGQV-UHFFFAOYSA-N -1 1 295.444 1.878 20 0 CDADMM CN(C[Si](C)(C)C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591125227 1173574482 /nfs/dbraw/zinc/57/44/82/1173574482.db2.gz ANLLXUWPOIBGQV-UHFFFAOYSA-N -1 1 295.444 1.878 20 0 CDADMM CO[C@@H](C)[C@@H](C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001591323850 1173608918 /nfs/dbraw/zinc/60/89/18/1173608918.db2.gz FOUKDBBFIOZNAX-RQJHMYQMSA-N -1 1 282.735 1.750 20 0 CDADMM CO[C@@H](C)[C@@H](C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001591323850 1173608920 /nfs/dbraw/zinc/60/89/20/1173608920.db2.gz FOUKDBBFIOZNAX-RQJHMYQMSA-N -1 1 282.735 1.750 20 0 CDADMM CO[C@@H](COC(=O)c1coc(-c2nnn[n-]2)c1)CC(C)C ZINC001591336724 1173618633 /nfs/dbraw/zinc/61/86/33/1173618633.db2.gz ZIXCYIYVHVVNRO-SNVBAGLBSA-N -1 1 294.311 1.678 20 0 CDADMM CO[C@@H](COC(=O)c1coc(-c2nn[n-]n2)c1)CC(C)C ZINC001591336724 1173618636 /nfs/dbraw/zinc/61/86/36/1173618636.db2.gz ZIXCYIYVHVVNRO-SNVBAGLBSA-N -1 1 294.311 1.678 20 0 CDADMM CO[C@]1(C)CCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001591339168 1173618748 /nfs/dbraw/zinc/61/87/48/1173618748.db2.gz PYACHYZPDCJREC-CYBMUJFWSA-N -1 1 291.311 1.101 20 0 CDADMM CO[C@]1(C)CCCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001591339168 1173618753 /nfs/dbraw/zinc/61/87/53/1173618753.db2.gz PYACHYZPDCJREC-CYBMUJFWSA-N -1 1 291.311 1.101 20 0 CDADMM CO[C@@H]1CCC[C@H]1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591359073 1173628191 /nfs/dbraw/zinc/62/81/91/1173628191.db2.gz AJWDWAZWUBFXGT-PSASIEDQSA-N -1 1 288.311 1.015 20 0 CDADMM CO[C@@H]1CCC[C@H]1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591359073 1173628193 /nfs/dbraw/zinc/62/81/93/1173628193.db2.gz AJWDWAZWUBFXGT-PSASIEDQSA-N -1 1 288.311 1.015 20 0 CDADMM COCC1(CCNc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001591388197 1173638410 /nfs/dbraw/zinc/63/84/10/1173638410.db2.gz XDSGYFYHYAIFOK-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM COCC1(CCNc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001591388197 1173638420 /nfs/dbraw/zinc/63/84/20/1173638420.db2.gz XDSGYFYHYAIFOK-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM COC[C@@H]1CCCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001591392819 1173641028 /nfs/dbraw/zinc/64/10/28/1173641028.db2.gz PKNOWFJRADHHFM-LLVKDONJSA-N -1 1 288.355 1.515 20 0 CDADMM COC[C@@H]1CCCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001591392819 1173641033 /nfs/dbraw/zinc/64/10/33/1173641033.db2.gz PKNOWFJRADHHFM-LLVKDONJSA-N -1 1 288.355 1.515 20 0 CDADMM COc1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001591613870 1173672896 /nfs/dbraw/zinc/67/28/96/1173672896.db2.gz HQMIYFDLAPBIMB-UHFFFAOYSA-N -1 1 285.263 1.721 20 0 CDADMM COc1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001591613870 1173672901 /nfs/dbraw/zinc/67/29/01/1173672901.db2.gz HQMIYFDLAPBIMB-UHFFFAOYSA-N -1 1 285.263 1.721 20 0 CDADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2ccccc2)c1 ZINC001591837238 1173713170 /nfs/dbraw/zinc/71/31/70/1173713170.db2.gz WPXFGQVHWCPWDD-UHFFFAOYSA-N -1 1 267.292 1.385 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C)C[C@H]2C)n1 ZINC001591884428 1173738840 /nfs/dbraw/zinc/73/88/40/1173738840.db2.gz ZNHBRNZYSBVGEP-VXNVDRBHSA-N -1 1 259.317 1.200 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](C)C[C@H]2C)n1 ZINC001591884428 1173738850 /nfs/dbraw/zinc/73/88/50/1173738850.db2.gz ZNHBRNZYSBVGEP-VXNVDRBHSA-N -1 1 259.317 1.200 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC001591890461 1173740875 /nfs/dbraw/zinc/74/08/75/1173740875.db2.gz GJQHVSRELZTKDM-TXEJJXNPSA-N -1 1 282.351 1.973 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC001591890461 1173740879 /nfs/dbraw/zinc/74/08/79/1173740879.db2.gz GJQHVSRELZTKDM-TXEJJXNPSA-N -1 1 282.351 1.973 20 0 CDADMM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)ccc1F ZINC001591933319 1173746326 /nfs/dbraw/zinc/74/63/26/1173746326.db2.gz GGTKOWJUGOONDQ-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)ccc1F ZINC001591933319 1173746330 /nfs/dbraw/zinc/74/63/30/1173746330.db2.gz GGTKOWJUGOONDQ-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1cc(C)cc(CCNc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001591952786 1173752251 /nfs/dbraw/zinc/75/22/51/1173752251.db2.gz LASWYBOTIOWGPT-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1cc(C)cc(CCNc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001591952786 1173752260 /nfs/dbraw/zinc/75/22/60/1173752260.db2.gz LASWYBOTIOWGPT-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1cc(N2CCC[C@@H]([C@@H](C)O)C2)cc(-c2nnn[n-]2)n1 ZINC001592005082 1173772354 /nfs/dbraw/zinc/77/23/54/1173772354.db2.gz RLAGVPYCGNAHKM-GHMZBOCLSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(N2CCC[C@@H]([C@@H](C)O)C2)cc(-c2nn[n-]n2)n1 ZINC001592005082 1173772358 /nfs/dbraw/zinc/77/23/58/1173772358.db2.gz RLAGVPYCGNAHKM-GHMZBOCLSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)cc1C ZINC001592151460 1173812919 /nfs/dbraw/zinc/81/29/19/1173812919.db2.gz SDWOIBOXNQZXKS-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(CCNc2ccc(-c3nn[n-]n3)nn2)cc1C ZINC001592151460 1173812925 /nfs/dbraw/zinc/81/29/25/1173812925.db2.gz SDWOIBOXNQZXKS-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(N[C@H]2CS[C@@H](C)C2)nc1-c1nnn[n-]1 ZINC001592183867 1173827949 /nfs/dbraw/zinc/82/79/49/1173827949.db2.gz LMKUUGGTNMOCAF-DTWKUNHWSA-N -1 1 276.369 1.876 20 0 CDADMM Cc1ccc(N[C@H]2CS[C@@H](C)C2)nc1-c1nn[n-]n1 ZINC001592183867 1173827950 /nfs/dbraw/zinc/82/79/50/1173827950.db2.gz LMKUUGGTNMOCAF-DTWKUNHWSA-N -1 1 276.369 1.876 20 0 CDADMM Cc1ccnc(COC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001592271495 1173838059 /nfs/dbraw/zinc/83/80/59/1173838059.db2.gz BQMWYYJBEGSCNA-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1ccoc1CN(C)Cc1nc(-c2nnn[n-]2)cs1 ZINC001592282564 1173846613 /nfs/dbraw/zinc/84/66/13/1173846613.db2.gz WWCOZADIVLZTRH-UHFFFAOYSA-N -1 1 290.352 1.857 20 0 CDADMM Cc1[nH]nc(NC[C@@H]2CC=CCC2)c1-c1nnn[n-]1 ZINC001592330170 1173857270 /nfs/dbraw/zinc/85/72/70/1173857270.db2.gz DCCXNJALWGTPIE-SECBINFHSA-N -1 1 259.317 1.666 20 0 CDADMM Cc1[nH]nc(NC[C@@H]2CC=CCC2)c1-c1nn[n-]n1 ZINC001592330170 1173857275 /nfs/dbraw/zinc/85/72/75/1173857275.db2.gz DCCXNJALWGTPIE-SECBINFHSA-N -1 1 259.317 1.666 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC3(CCC3)C[C@H]2C)n1 ZINC001592337646 1173858886 /nfs/dbraw/zinc/85/88/86/1173858886.db2.gz MSUIMKLHWIZAGM-SECBINFHSA-N -1 1 285.355 1.734 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC3(CCC3)C[C@H]2C)n1 ZINC001592337646 1173858893 /nfs/dbraw/zinc/85/88/93/1173858893.db2.gz MSUIMKLHWIZAGM-SECBINFHSA-N -1 1 285.355 1.734 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(Cc2ncoc2C(C)C)c1C ZINC001592340988 1173862052 /nfs/dbraw/zinc/86/20/52/1173862052.db2.gz MUXURJSERPGUNB-UHFFFAOYSA-N -1 1 287.327 1.840 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2ncoc2C(C)C)c1C ZINC001592340988 1173862055 /nfs/dbraw/zinc/86/20/55/1173862055.db2.gz MUXURJSERPGUNB-UHFFFAOYSA-N -1 1 287.327 1.840 20 0 CDADMM Cc1nn(CC2=CCCC2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592436575 1173887193 /nfs/dbraw/zinc/88/71/93/1173887193.db2.gz UNJFRWXJHYVYSG-UHFFFAOYSA-N -1 1 272.312 1.151 20 0 CDADMM Cc1nnc(Oc2ccc(C=O)cc2)c(-c2nnn[n-]2)c1C ZINC001592449651 1173894861 /nfs/dbraw/zinc/89/48/61/1173894861.db2.gz NIMHQVDYQSRBEJ-UHFFFAOYSA-N -1 1 296.290 1.878 20 0 CDADMM Cc1nnc(Oc2ccc(C=O)cc2)c(-c2nn[n-]n2)c1C ZINC001592449651 1173894866 /nfs/dbraw/zinc/89/48/66/1173894866.db2.gz NIMHQVDYQSRBEJ-UHFFFAOYSA-N -1 1 296.290 1.878 20 0 CDADMM Clc1cccnc1COc1cccnc1-c1nnn[n-]1 ZINC001592536645 1173912748 /nfs/dbraw/zinc/91/27/48/1173912748.db2.gz RESKYISAQLIIIY-UHFFFAOYSA-N -1 1 288.698 1.889 20 0 CDADMM Clc1cccnc1COc1cccnc1-c1nn[n-]n1 ZINC001592536645 1173912753 /nfs/dbraw/zinc/91/27/53/1173912753.db2.gz RESKYISAQLIIIY-UHFFFAOYSA-N -1 1 288.698 1.889 20 0 CDADMM FC1(F)CC[C@H](COc2cnc(-c3nn[n-]n3)nc2)C1 ZINC001592628242 1173935286 /nfs/dbraw/zinc/93/52/86/1173935286.db2.gz PWRLLOJUIRVPEN-ZETCQYMHSA-N -1 1 282.254 1.471 20 0 CDADMM F[C@H]1CCCC[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC001592632912 1173944693 /nfs/dbraw/zinc/94/46/93/1173944693.db2.gz ZEOLSKHRBJQKGL-DTWKUNHWSA-N -1 1 262.292 1.954 20 0 CDADMM F[C@H]1CCCC[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC001592632912 1173944696 /nfs/dbraw/zinc/94/46/96/1173944696.db2.gz ZEOLSKHRBJQKGL-DTWKUNHWSA-N -1 1 262.292 1.954 20 0 CDADMM Fc1ccc2c(c1)CC[C@H]2Nc1ccnc(-c2nn[n-]n2)n1 ZINC001592653395 1173954118 /nfs/dbraw/zinc/95/41/18/1173954118.db2.gz ZITYSVCUHUNHNZ-LLVKDONJSA-N -1 1 297.297 1.317 20 0 CDADMM Fc1cccc(CCCNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001592655372 1173954389 /nfs/dbraw/zinc/95/43/89/1173954389.db2.gz UIROTUWPXUEAGF-UHFFFAOYSA-N -1 1 299.313 1.841 20 0 CDADMM Fc1cccc(CCCNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001592655372 1173954393 /nfs/dbraw/zinc/95/43/93/1173954393.db2.gz UIROTUWPXUEAGF-UHFFFAOYSA-N -1 1 299.313 1.841 20 0 CDADMM O=C(CCCF)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592836486 1173998948 /nfs/dbraw/zinc/99/89/48/1173998948.db2.gz KQLBFVPCBAWURH-UHFFFAOYSA-N -1 1 269.305 1.294 20 0 CDADMM O=C(N[C@H]1CCCC1(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC001592979851 1174011229 /nfs/dbraw/zinc/01/12/29/1174011229.db2.gz ULYQGEFVZUSPOS-QMMMGPOBSA-N -1 1 299.306 1.846 20 0 CDADMM O=C(N[C@H]1CCCC1(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC001592979851 1174011234 /nfs/dbraw/zinc/01/12/34/1174011234.db2.gz ULYQGEFVZUSPOS-QMMMGPOBSA-N -1 1 299.306 1.846 20 0 CDADMM O=C(NCC[C@H]1CCCCO1)c1coc(-c2nnn[n-]2)c1 ZINC001593064697 1174019089 /nfs/dbraw/zinc/01/90/89/1174019089.db2.gz AOECMYJQUIIPEA-SNVBAGLBSA-N -1 1 291.311 1.149 20 0 CDADMM O=C(NCC[C@H]1CCCCO1)c1coc(-c2nn[n-]n2)c1 ZINC001593064697 1174019096 /nfs/dbraw/zinc/01/90/96/1174019096.db2.gz AOECMYJQUIIPEA-SNVBAGLBSA-N -1 1 291.311 1.149 20 0 CDADMM O=C(NCc1cccnc1)c1csc(-c2nn[n-]n2)c1 ZINC001593145606 1174026666 /nfs/dbraw/zinc/02/66/66/1174026666.db2.gz CHSBEUUIHUMVMF-UHFFFAOYSA-N -1 1 286.320 1.253 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1[nH]ccc1C1CC1 ZINC001593197905 1174031272 /nfs/dbraw/zinc/03/12/72/1174031272.db2.gz RLAAUUJIOZCOAP-UHFFFAOYSA-N -1 1 284.283 1.048 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1[nH]ccc1C1CC1 ZINC001593197905 1174031276 /nfs/dbraw/zinc/03/12/76/1174031276.db2.gz RLAAUUJIOZCOAP-UHFFFAOYSA-N -1 1 284.283 1.048 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCC2(CC2)C1 ZINC001593338206 1174065656 /nfs/dbraw/zinc/06/56/56/1174065656.db2.gz SCWRYXQNIHIBMB-UHFFFAOYSA-N -1 1 289.364 1.944 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCC2(CC2)C1 ZINC001593338206 1174065664 /nfs/dbraw/zinc/06/56/64/1174065664.db2.gz SCWRYXQNIHIBMB-UHFFFAOYSA-N -1 1 289.364 1.944 20 0 CDADMM O=C(c1ccsc1-c1nnn[n-]1)N1Cc2cccnc2C1 ZINC001593362505 1174070585 /nfs/dbraw/zinc/07/05/85/1174070585.db2.gz QSEKMBXEVWGDEC-UHFFFAOYSA-N -1 1 298.331 1.479 20 0 CDADMM O=C(c1ccsc1-c1nn[n-]n1)N1Cc2cccnc2C1 ZINC001593362505 1174070590 /nfs/dbraw/zinc/07/05/90/1174070590.db2.gz QSEKMBXEVWGDEC-UHFFFAOYSA-N -1 1 298.331 1.479 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1ncc(Cl)s1 ZINC001593496695 1174086165 /nfs/dbraw/zinc/08/61/65/1174086165.db2.gz RRGKMVZFBLNXQT-UHFFFAOYSA-N -1 1 294.727 1.187 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1ccc2c(c1)CCC2 ZINC001593496700 1174086722 /nfs/dbraw/zinc/08/67/22/1174086722.db2.gz RWPVDMKEADJTQO-UHFFFAOYSA-N -1 1 293.330 1.565 20 0 CDADMM O=c1c(-c2nn[n-]n2)cc2c(n1CC1CC=CC1)CCC2 ZINC001593490913 1174087566 /nfs/dbraw/zinc/08/75/66/1174087566.db2.gz RWOPFJICXVDINN-UHFFFAOYSA-N -1 1 283.335 1.483 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC[C@H]1C[C@H]1C1CCCC1 ZINC001593550921 1174123260 /nfs/dbraw/zinc/12/32/60/1174123260.db2.gz DWGZKYXHYQZTNC-MNOVXSKESA-N -1 1 285.355 1.895 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC[C@H]1C[C@H]1C1CCCC1 ZINC001593550921 1174123264 /nfs/dbraw/zinc/12/32/64/1174123264.db2.gz DWGZKYXHYQZTNC-MNOVXSKESA-N -1 1 285.355 1.895 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CSC[C@H]1COCCO1 ZINC001593550913 1174125415 /nfs/dbraw/zinc/12/54/15/1174125415.db2.gz DSPNBBGIFGHAAQ-SECBINFHSA-N -1 1 282.325 1.108 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1CSC[C@H]1COCCO1 ZINC001593550913 1174125419 /nfs/dbraw/zinc/12/54/19/1174125419.db2.gz DSPNBBGIFGHAAQ-SECBINFHSA-N -1 1 282.325 1.108 20 0 CDADMM c1cc(NC[C@]23C[C@H]2COC32CCC2)nc(-c2nnn[n-]2)c1 ZINC001593560317 1174136877 /nfs/dbraw/zinc/13/68/77/1174136877.db2.gz ATMTVBDGOJCHMC-IINYFYTJSA-N -1 1 298.350 1.633 20 0 CDADMM c1cc(NC[C@]23C[C@H]2COC32CCC2)nc(-c2nn[n-]n2)c1 ZINC001593560317 1174136884 /nfs/dbraw/zinc/13/68/84/1174136884.db2.gz ATMTVBDGOJCHMC-IINYFYTJSA-N -1 1 298.350 1.633 20 0 CDADMM c1ccc(C[C@H]2C[C@H]2Nc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001593572347 1174143658 /nfs/dbraw/zinc/14/36/58/1174143658.db2.gz ZOGGPWQKMBCMOP-NWDGAFQWSA-N -1 1 293.334 1.700 20 0 CDADMM c1ccc(C[C@H]2C[C@H]2Nc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001593572347 1174143664 /nfs/dbraw/zinc/14/36/64/1174143664.db2.gz ZOGGPWQKMBCMOP-NWDGAFQWSA-N -1 1 293.334 1.700 20 0 CDADMM c1ccc(OC2CN(c3ccnc(-c4nnn[n-]4)c3)C2)cc1 ZINC001593576436 1174145803 /nfs/dbraw/zinc/14/58/03/1174145803.db2.gz CLZUAZGYFWRDIR-UHFFFAOYSA-N -1 1 294.318 1.529 20 0 CDADMM c1ccc(OC2CN(c3ccnc(-c4nn[n-]n4)c3)C2)cc1 ZINC001593576436 1174145804 /nfs/dbraw/zinc/14/58/04/1174145804.db2.gz CLZUAZGYFWRDIR-UHFFFAOYSA-N -1 1 294.318 1.529 20 0 CDADMM c1ccc2c(c1)SC[C@H]2Nc1ncncc1-c1nn[n-]n1 ZINC001593580323 1174147536 /nfs/dbraw/zinc/14/75/36/1174147536.db2.gz TYANTLHPDHIZSF-SNVBAGLBSA-N -1 1 297.347 1.916 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCC2(CC3CC3)CC2)n1 ZINC001593582945 1174150327 /nfs/dbraw/zinc/15/03/27/1174150327.db2.gz HGUMREKZISGMDZ-UHFFFAOYSA-N -1 1 271.328 1.649 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCC2(CC3CC3)CC2)n1 ZINC001593582945 1174150333 /nfs/dbraw/zinc/15/03/33/1174150333.db2.gz HGUMREKZISGMDZ-UHFFFAOYSA-N -1 1 271.328 1.649 20 0 CDADMM c1nc(NC[C@@H]2CCC[C@@H]2C2CC2)cc(-c2nnn[n-]2)n1 ZINC001593590627 1174157425 /nfs/dbraw/zinc/15/74/25/1174157425.db2.gz AKHNBOZEEQUZBT-WDEREUQCSA-N -1 1 285.355 1.895 20 0 CDADMM c1nc(NC[C@@H]2CCC[C@@H]2C2CC2)cc(-c2nn[n-]n2)n1 ZINC001593590627 1174157427 /nfs/dbraw/zinc/15/74/27/1174157427.db2.gz AKHNBOZEEQUZBT-WDEREUQCSA-N -1 1 285.355 1.895 20 0 CDADMM c1ncc(N2CCCC3(CC3)C2)nc1-c1nnn[n-]1 ZINC001593593199 1174159032 /nfs/dbraw/zinc/15/90/32/1174159032.db2.gz NBNNGAJIFRXLHA-UHFFFAOYSA-N -1 1 257.301 1.037 20 0 CDADMM c1ncc(N2CCCC3(CC3)C2)nc1-c1nn[n-]n1 ZINC001593593199 1174159033 /nfs/dbraw/zinc/15/90/33/1174159033.db2.gz NBNNGAJIFRXLHA-UHFFFAOYSA-N -1 1 257.301 1.037 20 0 CDADMM c1nc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cc(-c2nnn[n-]2)n1 ZINC001593591645 1174160365 /nfs/dbraw/zinc/16/03/65/1174160365.db2.gz SGUDWBOSTMHUOH-KKZNHRDASA-N -1 1 287.327 1.026 20 0 CDADMM c1nc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cc(-c2nn[n-]n2)n1 ZINC001593591645 1174160367 /nfs/dbraw/zinc/16/03/67/1174160367.db2.gz SGUDWBOSTMHUOH-KKZNHRDASA-N -1 1 287.327 1.026 20 0 CDADMM O=C(NCCn1ccnc1)c1ccc2ccc(O)cc2c1[O-] ZINC001595685351 1174211431 /nfs/dbraw/zinc/21/14/31/1174211431.db2.gz WGCMCPUIINXWPE-UHFFFAOYSA-N -1 1 297.314 1.878 20 0 CDADMM O=C(Cc1ccc([O-])c(Cl)c1)NCc1cc[nH]n1 ZINC001595993645 1174224090 /nfs/dbraw/zinc/22/40/90/1174224090.db2.gz WEQGIBONEUBUOA-UHFFFAOYSA-N -1 1 265.700 1.628 20 0 CDADMM Cc1nnc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)[nH]1 ZINC001600110452 1174364527 /nfs/dbraw/zinc/36/45/27/1174364527.db2.gz JOAYWDFYKZTXKG-UHFFFAOYSA-N -1 1 260.253 1.372 20 0 CDADMM Cc1n[nH]c(NC(=O)c2cc(C)cc(C(=O)[O-])c2)n1 ZINC001600110452 1174364529 /nfs/dbraw/zinc/36/45/29/1174364529.db2.gz JOAYWDFYKZTXKG-UHFFFAOYSA-N -1 1 260.253 1.372 20 0 CDADMM Cc1cccc(CN(C)[C@@H]2CCN(CCC(=O)[O-])C2=O)c1 ZINC001600531128 1174498696 /nfs/dbraw/zinc/49/86/96/1174498696.db2.gz AEBIHVZRHASTNT-CQSZACIVSA-N -1 1 290.363 1.502 20 0 CDADMM Cc1ncsc1CCCN1CC[C@@](F)(C(=O)[O-])C1 ZINC001600759439 1174599117 /nfs/dbraw/zinc/59/91/17/1174599117.db2.gz LOGYQUCOWIJLGC-LBPRGKRZSA-N -1 1 272.345 1.883 20 0 CDADMM Cc1oc(CN(C)C[C@@H]2CC3(CC3)C(=O)O2)cc1C(=O)[O-] ZINC001600842207 1174637964 /nfs/dbraw/zinc/63/79/64/1174637964.db2.gz AYUQOFAPRAAYAH-NSHDSACASA-N -1 1 293.319 1.814 20 0 CDADMM NC(=O)C1(NCc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC001601139366 1174760633 /nfs/dbraw/zinc/76/06/33/1174760633.db2.gz SKBPNAZOSHFANJ-UHFFFAOYSA-N -1 1 268.700 1.146 20 0 CDADMM O=C([O-])c1ccc(NC(=O)CCc2nc[nH]n2)cc1F ZINC001601296576 1174828537 /nfs/dbraw/zinc/82/85/37/1174828537.db2.gz LGLBAVHNKGJOOT-UHFFFAOYSA-N -1 1 278.243 1.213 20 0 CDADMM O=C([O-])c1ncoc1CNC(=O)c1cc(F)cc(F)c1O ZINC001601551165 1174898543 /nfs/dbraw/zinc/89/85/43/1174898543.db2.gz ODYLPUCCQRIFBG-UHFFFAOYSA-N -1 1 298.201 1.287 20 0 CDADMM O=C([O-])[C@H]1[C@H](CN2CCc3ncsc3C2)C1(F)F ZINC001601748917 1174984581 /nfs/dbraw/zinc/98/45/81/1174984581.db2.gz OCYATWQNVDQHSS-IMTBSYHQSA-N -1 1 274.292 1.467 20 0 CDADMM O=C([O-])/C=C/c1ccc(-c2nc([C@H]3CCCN3)no2)o1 ZINC001601872406 1175044170 /nfs/dbraw/zinc/04/41/70/1175044170.db2.gz NWLTWEUNJUIXEN-OTQAPUNGSA-N -1 1 275.264 1.852 20 0 CDADMM O=C([O-])C=Cc1ccc(C(=O)N2CCc3nc[nH]c3C2)o1 ZINC001601873745 1175044257 /nfs/dbraw/zinc/04/42/57/1175044257.db2.gz NEAQZKZCIFUDBP-DUXPYHPUSA-N -1 1 287.275 1.299 20 0 CDADMM O=C([O-])/C=C\c1ccc(-c2nc([C@@H]3CCCN3)no2)o1 ZINC001601872409 1175044780 /nfs/dbraw/zinc/04/47/80/1175044780.db2.gz NWLTWEUNJUIXEN-RNEXMXFGSA-N -1 1 275.264 1.852 20 0 CDADMM O=C([O-])C[C@@]1(NCc2cc3n(n2)CCCC3)CCCOC1 ZINC001601936326 1175073700 /nfs/dbraw/zinc/07/37/00/1175073700.db2.gz PSKZNYGCBKFFKY-HNNXBMFYSA-N -1 1 293.367 1.333 20 0 CDADMM O=C([O-])C[C@@H]1C[N@H+](Cc2cccc(C(=O)[O-])c2)CCO1 ZINC001601961711 1175088913 /nfs/dbraw/zinc/08/89/13/1175088913.db2.gz IYOBIZMORTVDRF-GFCCVEGCSA-N -1 1 279.292 1.060 20 0 CDADMM O=C([O-])C[C@@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2)CCO1 ZINC001601961711 1175088919 /nfs/dbraw/zinc/08/89/19/1175088919.db2.gz IYOBIZMORTVDRF-GFCCVEGCSA-N -1 1 279.292 1.060 20 0 CDADMM O=C([O-])[C@@H]1OCC[C@@H]1NCc1ccc(Cl)cn1 ZINC001602203110 1175161435 /nfs/dbraw/zinc/16/14/35/1175161435.db2.gz QIIQQKDHFWSVDH-VHSXEESVSA-N -1 1 256.689 1.067 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(Cc3cnc([C@@H]4CCCO4)s3)C[C@@H]21 ZINC001602207351 1175166183 /nfs/dbraw/zinc/16/61/83/1175166183.db2.gz WNSCXKNWJDPTGM-WHOHXGKFSA-N -1 1 294.376 1.757 20 0 CDADMM O=C([O-])c1cc(CNCCOc2ccc(Cl)cn2)on1 ZINC001602260469 1175186850 /nfs/dbraw/zinc/18/68/50/1175186850.db2.gz XSECNRSGUZNLBF-UHFFFAOYSA-N -1 1 297.698 1.590 20 0 CDADMM O=C([O-])c1ccc(NC(=O)c2cncc3nc[nH]c32)cc1O ZINC001602381408 1175228107 /nfs/dbraw/zinc/22/81/07/1175228107.db2.gz UWADOKKBTGSZFC-UHFFFAOYSA-N -1 1 298.258 1.614 20 0 CDADMM O=C([O-])c1cnc(CN2CCC[C@H](c3ccncc3)C2)cn1 ZINC001602519739 1175265604 /nfs/dbraw/zinc/26/56/04/1175265604.db2.gz DTSCNEKFVPUVRF-ZDUSSCGKSA-N -1 1 298.346 1.949 20 0 CDADMM O=C([O-])c1cnoc1CN1CCS[C@H]2COCC[C@@H]21 ZINC001602545192 1175284182 /nfs/dbraw/zinc/28/41/82/1175284182.db2.gz BNTGWCOOSZBLMH-ONGXEEELSA-N -1 1 284.337 1.079 20 0 CDADMM O=C([O-])c1sccc1CN[C@@H]1C[C@@H]2CCCCN2C1=O ZINC001602595217 1175314225 /nfs/dbraw/zinc/31/42/25/1175314225.db2.gz KGTKKBVKNJMITG-WDEREUQCSA-N -1 1 294.376 1.689 20 0 CDADMM CC(C)(O)CSCc1ccc(-c2nnn[n-]2)o1 ZINC001603172374 1175508846 /nfs/dbraw/zinc/50/88/46/1175508846.db2.gz LOOWPKJEGLKZFE-UHFFFAOYSA-N -1 1 254.315 1.464 20 0 CDADMM CC(C)(O)CSCc1ccc(-c2nn[n-]n2)o1 ZINC001603172374 1175508853 /nfs/dbraw/zinc/50/88/53/1175508853.db2.gz LOOWPKJEGLKZFE-UHFFFAOYSA-N -1 1 254.315 1.464 20 0 CDADMM CC(C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])=C1CCC1 ZINC001603173496 1175509256 /nfs/dbraw/zinc/50/92/56/1175509256.db2.gz NRDKZPTXWFKWDP-NSHDSACASA-N -1 1 263.297 1.022 20 0 CDADMM CC(C)[C@]1(C)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001603238335 1175522379 /nfs/dbraw/zinc/52/23/79/1175522379.db2.gz MMXWOMSZTUULBG-SKDRFNHKSA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)[C@]1(C)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001603238335 1175522380 /nfs/dbraw/zinc/52/23/80/1175522380.db2.gz MMXWOMSZTUULBG-SKDRFNHKSA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)(C(=O)[O-])c1csc(NC(=O)Cc2cnc[nH]2)n1 ZINC001603276241 1175531356 /nfs/dbraw/zinc/53/13/56/1175531356.db2.gz GPYURUOPDJSOGQ-UHFFFAOYSA-N -1 1 294.336 1.410 20 0 CDADMM CC(C)(C)OC(=O)[C@@]1(C)CCCN1C[C@](C)(O)C(=O)[O-] ZINC001603357440 1175547375 /nfs/dbraw/zinc/54/73/75/1175547375.db2.gz HEVBZUMRSDZUSD-KGLIPLIRSA-N -1 1 287.356 1.018 20 0 CDADMM C[C@@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001603644270 1175584505 /nfs/dbraw/zinc/58/45/05/1175584505.db2.gz QOTHYUWESMEGPT-SNVBAGLBSA-N -1 1 294.318 1.753 20 0 CDADMM C[C@@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001603644270 1175584510 /nfs/dbraw/zinc/58/45/10/1175584510.db2.gz QOTHYUWESMEGPT-SNVBAGLBSA-N -1 1 294.318 1.753 20 0 CDADMM CC(C)(NCCCN1CCOC1=O)c1cc(C(=O)[O-])on1 ZINC001603680786 1175595736 /nfs/dbraw/zinc/59/57/36/1175595736.db2.gz JMZNHOGXDDGDCP-UHFFFAOYSA-N -1 1 297.311 1.040 20 0 CDADMM C[C@@H](c1ccccc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001603734824 1175612000 /nfs/dbraw/zinc/61/20/00/1175612000.db2.gz NMQINPGWMUBXIZ-JTQLQIEISA-N -1 1 281.323 1.854 20 0 CDADMM C[C@@H](c1ccccc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001603734824 1175612004 /nfs/dbraw/zinc/61/20/04/1175612004.db2.gz NMQINPGWMUBXIZ-JTQLQIEISA-N -1 1 281.323 1.854 20 0 CDADMM C[C@@]1(C(=O)[O-])CCC[N@@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC001603751200 1175616682 /nfs/dbraw/zinc/61/66/82/1175616682.db2.gz CPLCFKQZRLLVHX-LBPRGKRZSA-N -1 1 293.352 1.367 20 0 CDADMM C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC001603751200 1175616685 /nfs/dbraw/zinc/61/66/85/1175616685.db2.gz CPLCFKQZRLLVHX-LBPRGKRZSA-N -1 1 293.352 1.367 20 0 CDADMM Cc1nc(-c2nn[n-]n2)c(N2N=C(C)[C@@H](C(C)C)C2=O)o1 ZINC001603825781 1175645535 /nfs/dbraw/zinc/64/55/35/1175645535.db2.gz DNXFCOUNHSUFLQ-MRVPVSSYSA-N -1 1 289.299 1.158 20 0 CDADMM C[C@H]1C[C@H](CNC(=O)c2coc(-c3nnn[n-]3)c2)CCO1 ZINC001603850555 1175652771 /nfs/dbraw/zinc/65/27/71/1175652771.db2.gz HSVDNYDCVAUMPX-DTWKUNHWSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@H]1C[C@H](CNC(=O)c2coc(-c3nn[n-]n3)c2)CCO1 ZINC001603850555 1175652778 /nfs/dbraw/zinc/65/27/78/1175652778.db2.gz HSVDNYDCVAUMPX-DTWKUNHWSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@@H]1C[C@H]1c1ccc(CNc2ccnc(-c3nn[n-]n3)n2)o1 ZINC001603873099 1175663662 /nfs/dbraw/zinc/66/36/62/1175663662.db2.gz WWWALPDPUXXTGF-PSASIEDQSA-N -1 1 297.322 1.407 20 0 CDADMM C[C@H]1CC[C@H](OC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001603881342 1175668011 /nfs/dbraw/zinc/66/80/11/1175668011.db2.gz LFRPTEVYBASTQB-IUCAKERBSA-N -1 1 273.296 1.607 20 0 CDADMM C[C@H]1CC[C@H](OC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001603881342 1175668015 /nfs/dbraw/zinc/66/80/15/1175668015.db2.gz LFRPTEVYBASTQB-IUCAKERBSA-N -1 1 273.296 1.607 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@@H]1F ZINC001603904212 1175678779 /nfs/dbraw/zinc/67/87/79/1175678779.db2.gz XDSUDWQRKRPBGN-SCZZXKLOSA-N -1 1 290.302 1.082 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@@H]1F ZINC001603904212 1175678781 /nfs/dbraw/zinc/67/87/81/1175678781.db2.gz XDSUDWQRKRPBGN-SCZZXKLOSA-N -1 1 290.302 1.082 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@H]1F ZINC001603904211 1175679254 /nfs/dbraw/zinc/67/92/54/1175679254.db2.gz XDSUDWQRKRPBGN-PSASIEDQSA-N -1 1 290.302 1.082 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@H]1F ZINC001603904211 1175679257 /nfs/dbraw/zinc/67/92/57/1175679257.db2.gz XDSUDWQRKRPBGN-PSASIEDQSA-N -1 1 290.302 1.082 20 0 CDADMM CC(C)OCCC[N@H+]1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001603922923 1175686403 /nfs/dbraw/zinc/68/64/03/1175686403.db2.gz LBJKDCFQKMFCLS-AVERBVTBSA-N -1 1 299.367 1.299 20 0 CDADMM CC(C)c1nnc([C@H](C)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)[nH]1 ZINC001604013858 1175719874 /nfs/dbraw/zinc/71/98/74/1175719874.db2.gz OQRPIOIHQBUGQN-FXQIFTODSA-N -1 1 288.298 1.545 20 0 CDADMM CC(C)c1ncc(CNC(=O)c2ccnc(C(=O)[O-])c2)[nH]1 ZINC001604013606 1175720069 /nfs/dbraw/zinc/72/00/69/1175720069.db2.gz HIUARFQHKLKUIE-UHFFFAOYSA-N -1 1 288.307 1.556 20 0 CDADMM CC[C@H](Nc1ncncc1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC001604064960 1175742852 /nfs/dbraw/zinc/74/28/52/1175742852.db2.gz UFFBPUODAIWVKO-KOLCDFICSA-N -1 1 289.343 1.274 20 0 CDADMM CC[C@]1(O)CCCN(c2ccc(C)c(-c3nnn[n-]3)n2)C1 ZINC001604093495 1175756010 /nfs/dbraw/zinc/75/60/10/1175756010.db2.gz GIIADABORQUCDM-AWEZNQCLSA-N -1 1 288.355 1.311 20 0 CDADMM CC[C@]1(O)CCCN(c2ccc(C)c(-c3nn[n-]n3)n2)C1 ZINC001604093495 1175756018 /nfs/dbraw/zinc/75/60/18/1175756018.db2.gz GIIADABORQUCDM-AWEZNQCLSA-N -1 1 288.355 1.311 20 0 CDADMM CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604095966 1175756498 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CCCC(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC000821000938 606237078 /nfs/dbraw/zinc/23/70/78/606237078.db2.gz MLRDXMIZALDGFN-UHFFFAOYSA-N -1 1 266.330 1.395 20 0 CDADMM Clc1ccc(N2C[C@@H]3CCC[C@@H]32)nc1-c1nnn[n-]1 ZINC000822573626 606467018 /nfs/dbraw/zinc/46/70/18/606467018.db2.gz CLFNGKIYJXIEBG-CBAPKCEASA-N -1 1 276.731 1.904 20 0 CDADMM Clc1ccc(N2C[C@@H]3CCC[C@@H]32)nc1-c1nn[n-]n1 ZINC000822573626 606467020 /nfs/dbraw/zinc/46/70/20/606467020.db2.gz CLFNGKIYJXIEBG-CBAPKCEASA-N -1 1 276.731 1.904 20 0 CDADMM Clc1ccc(Sc2ncc[nH]2)nc1-c1nnn[n-]1 ZINC000822581518 606469143 /nfs/dbraw/zinc/46/91/43/606469143.db2.gz ITESLBBZYOGMTA-UHFFFAOYSA-N -1 1 279.716 1.789 20 0 CDADMM Clc1ccc(Sc2ncc[nH]2)nc1-c1nn[n-]n1 ZINC000822581518 606469144 /nfs/dbraw/zinc/46/91/44/606469144.db2.gz ITESLBBZYOGMTA-UHFFFAOYSA-N -1 1 279.716 1.789 20 0 CDADMM C[C@H](CNc1cccc(-c2nnn[n-]2)n1)c1ccncc1 ZINC000820280899 606476723 /nfs/dbraw/zinc/47/67/23/606476723.db2.gz OTPDCADENXJVJS-SNVBAGLBSA-N -1 1 281.323 1.872 20 0 CDADMM C[C@H](CNc1cccc(-c2nn[n-]n2)n1)c1ccncc1 ZINC000820280899 606476725 /nfs/dbraw/zinc/47/67/25/606476725.db2.gz OTPDCADENXJVJS-SNVBAGLBSA-N -1 1 281.323 1.872 20 0 CDADMM Cc1noc(C)c1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822523728 606537841 /nfs/dbraw/zinc/53/78/41/606537841.db2.gz SNDJBANULOMPFA-UHFFFAOYSA-N -1 1 290.308 1.785 20 0 CDADMM O=C(NCCC(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000823182849 606578318 /nfs/dbraw/zinc/57/83/18/606578318.db2.gz OXSPRAFSAGQPPY-UHFFFAOYSA-N -1 1 291.258 1.610 20 0 CDADMM O=C(NCCC(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000823182849 606578319 /nfs/dbraw/zinc/57/83/19/606578319.db2.gz OXSPRAFSAGQPPY-UHFFFAOYSA-N -1 1 291.258 1.610 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1CC(F)(F)C1 ZINC000823290310 606632999 /nfs/dbraw/zinc/63/29/99/606632999.db2.gz WAHLTKIECSRBFV-UHFFFAOYSA-N -1 1 295.249 1.556 20 0 CDADMM CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820979783 606815888 /nfs/dbraw/zinc/81/58/88/606815888.db2.gz JXQXZSZRPPQYMP-KOLCDFICSA-N -1 1 286.339 1.570 20 0 CDADMM CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820979783 606815891 /nfs/dbraw/zinc/81/58/91/606815891.db2.gz JXQXZSZRPPQYMP-KOLCDFICSA-N -1 1 286.339 1.570 20 0 CDADMM CCc1cccc(CC(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC000825722395 607780989 /nfs/dbraw/zinc/78/09/89/607780989.db2.gz DSMVQEYJGZAZHR-UHFFFAOYSA-N -1 1 297.322 1.091 20 0 CDADMM CCc1nnc(COc2cccc(F)c2-c2nnn[n-]2)o1 ZINC000825767825 607864936 /nfs/dbraw/zinc/86/49/36/607864936.db2.gz PXSXUTCHGASIBJ-UHFFFAOYSA-N -1 1 290.258 1.530 20 0 CDADMM CCc1nnc(COc2cccc(F)c2-c2nn[n-]n2)o1 ZINC000825767825 607864937 /nfs/dbraw/zinc/86/49/37/607864937.db2.gz PXSXUTCHGASIBJ-UHFFFAOYSA-N -1 1 290.258 1.530 20 0 CDADMM CCc1nc(CNc2cccc(-c3nnn[n-]3)n2)cs1 ZINC000825746224 607899030 /nfs/dbraw/zinc/89/90/30/607899030.db2.gz TXUTYAJKEVMQMF-UHFFFAOYSA-N -1 1 287.352 1.893 20 0 CDADMM CCc1nc(CNc2cccc(-c3nn[n-]n3)n2)cs1 ZINC000825746224 607899031 /nfs/dbraw/zinc/89/90/31/607899031.db2.gz TXUTYAJKEVMQMF-UHFFFAOYSA-N -1 1 287.352 1.893 20 0 CDADMM C[C@H]1CC[C@H](C)N(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000824907229 607900605 /nfs/dbraw/zinc/90/06/05/607900605.db2.gz HDLANMABFNDUMI-UWVGGRQHSA-N -1 1 258.329 1.887 20 0 CDADMM C[C@H]1CC[C@H](C)N(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000824907229 607900606 /nfs/dbraw/zinc/90/06/06/607900606.db2.gz HDLANMABFNDUMI-UWVGGRQHSA-N -1 1 258.329 1.887 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cn[nH]c1 ZINC000824513659 607955401 /nfs/dbraw/zinc/95/54/01/607955401.db2.gz FKEZVVLYZYPCBV-ZCFIWIBFSA-N -1 1 289.324 1.142 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cn[nH]c1 ZINC000824513659 607955402 /nfs/dbraw/zinc/95/54/02/607955402.db2.gz FKEZVVLYZYPCBV-ZCFIWIBFSA-N -1 1 289.324 1.142 20 0 CDADMM C[C@H]1Cc2ccccc2N1c1ccc(-c2nnn[n-]2)nn1 ZINC000825014498 607988304 /nfs/dbraw/zinc/98/83/04/607988304.db2.gz WLMKUYOELHBTGS-VIFPVBQESA-N -1 1 279.307 1.739 20 0 CDADMM C[C@H]1Cc2ccccc2N1c1ccc(-c2nn[n-]n2)nn1 ZINC000825014498 607988305 /nfs/dbraw/zinc/98/83/05/607988305.db2.gz WLMKUYOELHBTGS-VIFPVBQESA-N -1 1 279.307 1.739 20 0 CDADMM c1cnn(-c2ccc(Cn3ccnc3-c3nnn[n-]3)cc2)c1 ZINC000826526237 608014632 /nfs/dbraw/zinc/01/46/32/608014632.db2.gz QBVBNQFZLVGFFT-UHFFFAOYSA-N -1 1 292.306 1.297 20 0 CDADMM c1cnn(-c2ccc(Cn3ccnc3-c3nn[n-]n3)cc2)c1 ZINC000826526237 608014633 /nfs/dbraw/zinc/01/46/33/608014633.db2.gz QBVBNQFZLVGFFT-UHFFFAOYSA-N -1 1 292.306 1.297 20 0 CDADMM CN(c1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC000826011106 608176080 /nfs/dbraw/zinc/17/60/80/608176080.db2.gz XHYNFOUBNQUMBG-UHFFFAOYSA-N -1 1 256.722 1.575 20 0 CDADMM CN(c1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC000826011106 608176082 /nfs/dbraw/zinc/17/60/82/608176082.db2.gz XHYNFOUBNQUMBG-UHFFFAOYSA-N -1 1 256.722 1.575 20 0 CDADMM OCC1(Nc2snc(Cl)c2-c2nnn[n-]2)CCC1 ZINC000826508135 608191617 /nfs/dbraw/zinc/19/16/17/608191617.db2.gz FSDFSRARMPVWRP-UHFFFAOYSA-N -1 1 286.748 1.304 20 0 CDADMM OCC1(Nc2snc(Cl)c2-c2nn[n-]n2)CCC1 ZINC000826508135 608191619 /nfs/dbraw/zinc/19/16/19/608191619.db2.gz FSDFSRARMPVWRP-UHFFFAOYSA-N -1 1 286.748 1.304 20 0 CDADMM Cc1ocnc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000826343277 608193111 /nfs/dbraw/zinc/19/31/11/608193111.db2.gz UIELPZDGFPEPSN-UHFFFAOYSA-N -1 1 257.257 1.170 20 0 CDADMM Cc1ocnc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000826343277 608193112 /nfs/dbraw/zinc/19/31/12/608193112.db2.gz UIELPZDGFPEPSN-UHFFFAOYSA-N -1 1 257.257 1.170 20 0 CDADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C ZINC000824663461 608235657 /nfs/dbraw/zinc/23/56/57/608235657.db2.gz ZPBJCSKCHBVOFJ-MRVPVSSYSA-N -1 1 290.327 1.404 20 0 CDADMM CC(C)[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CCO1 ZINC000824217049 608242959 /nfs/dbraw/zinc/24/29/59/608242959.db2.gz XOIVNRVWAHLBRY-NXEZZACHSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CCO1 ZINC000824217049 608242961 /nfs/dbraw/zinc/24/29/61/608242961.db2.gz XOIVNRVWAHLBRY-NXEZZACHSA-N -1 1 289.343 1.272 20 0 CDADMM Cc1ccc(CN(c2ccc(-c3nnn[n-]3)nn2)C2CC2)o1 ZINC000826287849 608400067 /nfs/dbraw/zinc/40/00/67/608400067.db2.gz GKLSKVVPYUDBIF-UHFFFAOYSA-N -1 1 297.322 1.727 20 0 CDADMM Cc1ccc(CN(c2ccc(-c3nn[n-]n3)nn2)C2CC2)o1 ZINC000826287849 608400069 /nfs/dbraw/zinc/40/00/69/608400069.db2.gz GKLSKVVPYUDBIF-UHFFFAOYSA-N -1 1 297.322 1.727 20 0 CDADMM CC(C)C[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000824243079 608408015 /nfs/dbraw/zinc/40/80/15/608408015.db2.gz CYEJUBSHFSYNJY-JTQLQIEISA-N -1 1 273.344 1.672 20 0 CDADMM CC(C)C[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000824243079 608408016 /nfs/dbraw/zinc/40/80/16/608408016.db2.gz CYEJUBSHFSYNJY-JTQLQIEISA-N -1 1 273.344 1.672 20 0 CDADMM CC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1nccs1 ZINC000825148779 608421594 /nfs/dbraw/zinc/42/15/94/608421594.db2.gz UFJNIURONBJXJN-ZETCQYMHSA-N -1 1 288.340 1.676 20 0 CDADMM CC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1nccs1 ZINC000825148779 608421595 /nfs/dbraw/zinc/42/15/95/608421595.db2.gz UFJNIURONBJXJN-ZETCQYMHSA-N -1 1 288.340 1.676 20 0 CDADMM CSCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826228129 608421900 /nfs/dbraw/zinc/42/19/00/608421900.db2.gz FVVLQFQSJRQTKA-ZETCQYMHSA-N -1 1 265.346 1.210 20 0 CDADMM CSCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826228129 608421902 /nfs/dbraw/zinc/42/19/02/608421902.db2.gz FVVLQFQSJRQTKA-ZETCQYMHSA-N -1 1 265.346 1.210 20 0 CDADMM C[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1 ZINC000824994608 608427117 /nfs/dbraw/zinc/42/71/17/608427117.db2.gz VYDMELNVBFZTHY-MRVPVSSYSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1 ZINC000824994608 608427120 /nfs/dbraw/zinc/42/71/20/608427120.db2.gz VYDMELNVBFZTHY-MRVPVSSYSA-N -1 1 259.317 1.282 20 0 CDADMM Cc1cnc([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)s1 ZINC000826317882 608429668 /nfs/dbraw/zinc/42/96/68/608429668.db2.gz PCRUGNCWNDCFFC-ZETCQYMHSA-N -1 1 288.340 1.595 20 0 CDADMM Cc1cnc([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)s1 ZINC000826317882 608429669 /nfs/dbraw/zinc/42/96/69/608429669.db2.gz PCRUGNCWNDCFFC-ZETCQYMHSA-N -1 1 288.340 1.595 20 0 CDADMM Cc1cccc(C)c1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826296817 608434757 /nfs/dbraw/zinc/43/47/57/608434757.db2.gz JVSTWISTAQPPRP-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1cccc(C)c1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826296817 608434758 /nfs/dbraw/zinc/43/47/58/608434758.db2.gz JVSTWISTAQPPRP-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CN1CCC[C@H]1c1ncon1 ZINC000826527001 608665891 /nfs/dbraw/zinc/66/58/91/608665891.db2.gz VMSYCMDRPSJVCC-VIFPVBQESA-N -1 1 287.283 1.180 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1CN1CCC[C@H]1c1ncon1 ZINC000826527001 608665894 /nfs/dbraw/zinc/66/58/94/608665894.db2.gz VMSYCMDRPSJVCC-VIFPVBQESA-N -1 1 287.283 1.180 20 0 CDADMM COc1cccc(Cn2cccc(-c3nn[n-]n3)c2=O)c1 ZINC000826216478 609327653 /nfs/dbraw/zinc/32/76/53/609327653.db2.gz AJZQJCZVVIMGJQ-UHFFFAOYSA-N -1 1 283.291 1.085 20 0 CDADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1CCCOC1 ZINC000824663099 609561875 /nfs/dbraw/zinc/56/18/75/609561875.db2.gz VTZQMHFBOURKNQ-NXEZZACHSA-N -1 1 274.328 1.489 20 0 CDADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1CCCOC1 ZINC000824663099 609561877 /nfs/dbraw/zinc/56/18/77/609561877.db2.gz VTZQMHFBOURKNQ-NXEZZACHSA-N -1 1 274.328 1.489 20 0 CDADMM C[C@H]1C[C@H](CCNc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000824885376 609596747 /nfs/dbraw/zinc/59/67/47/609596747.db2.gz SITOBFVWJHYETA-WDEREUQCSA-N -1 1 288.355 1.879 20 0 CDADMM C[C@H]1C[C@H](CCNc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000824885376 609596750 /nfs/dbraw/zinc/59/67/50/609596750.db2.gz SITOBFVWJHYETA-WDEREUQCSA-N -1 1 288.355 1.879 20 0 CDADMM C/C=C(/C)C(=O)N1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000949535299 613113651 /nfs/dbraw/zinc/11/36/51/613113651.db2.gz RNXNZHHJPBEEIZ-LBQOUHFTSA-N -1 1 289.335 1.084 20 0 CDADMM O=C(Cc1[nH]nc2c1CCCC2)[N-]OC/C=C/Cl ZINC000812407914 617313809 /nfs/dbraw/zinc/31/38/09/617313809.db2.gz PFJNHWTZXYIZGT-ZZXKWVIFSA-N -1 1 269.732 1.631 20 0 CDADMM CC(C)(C)c1ccc(NC(=O)CCc2nn[n-]n2)cn1 ZINC000890794747 617336953 /nfs/dbraw/zinc/33/69/53/617336953.db2.gz VMQZAHFJEHGSCD-UHFFFAOYSA-N -1 1 274.328 1.464 20 0 CDADMM O=C(N[C@@H]1COC[C@H]1C1CC1)c1c([O-])cccc1F ZINC000891051143 617356936 /nfs/dbraw/zinc/35/69/36/617356936.db2.gz UPZJDALGYYTJON-GXSJLCMTSA-N -1 1 265.284 1.686 20 0 CDADMM CCC[C@H](O)C(=O)Nc1nc(Br)ccc1[O-] ZINC000935595116 617461316 /nfs/dbraw/zinc/46/13/16/617461316.db2.gz UNOMPCQWGUCKNW-ZETCQYMHSA-N -1 1 289.129 1.649 20 0 CDADMM COCc1nc(NC[C@@]2(C)CCO[C@H]2C2CC2)cc(=O)[n-]1 ZINC000893215722 617469529 /nfs/dbraw/zinc/46/95/29/617469529.db2.gz KXQSLOLDEKFTEY-LSDHHAIUSA-N -1 1 293.367 1.946 20 0 CDADMM CC[C@@H](C)OCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891621796 617510026 /nfs/dbraw/zinc/51/00/26/617510026.db2.gz MCGBKAZGNQNMNU-SECBINFHSA-N -1 1 279.340 1.815 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccc(F)nc1 ZINC000891623835 617510116 /nfs/dbraw/zinc/51/01/16/617510116.db2.gz UWZQMUWAUGSBQV-UHFFFAOYSA-N -1 1 288.282 1.847 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@H]1CCCOC1 ZINC000891624086 617511077 /nfs/dbraw/zinc/51/10/77/617511077.db2.gz VXUMQZZXXLWKMR-VIFPVBQESA-N -1 1 277.324 1.426 20 0 CDADMM COCc1nc(NCc2ccnc(OC)c2)cc(=O)[n-]1 ZINC000891679408 617534736 /nfs/dbraw/zinc/53/47/36/617534736.db2.gz YTFBNNJJFQSBFI-UHFFFAOYSA-N -1 1 276.296 1.344 20 0 CDADMM O=C([N-]CCC[S@](=O)CC1CC1)C(F)(F)F ZINC000840884884 617539285 /nfs/dbraw/zinc/53/92/85/617539285.db2.gz SUMXUXATQOMIMF-INIZCTEOSA-N -1 1 257.277 1.214 20 0 CDADMM COCc1nc(NC[C@@](C)(O)CCC(C)C)cc(=O)[n-]1 ZINC000892650476 617561408 /nfs/dbraw/zinc/56/14/08/617561408.db2.gz JPDJUQAWLJNDIA-AWEZNQCLSA-N -1 1 283.372 1.928 20 0 CDADMM COCc1nc(N(C)Cc2cnn(C)c2C)cc(=O)[n-]1 ZINC000893579726 617613212 /nfs/dbraw/zinc/61/32/12/617613212.db2.gz KMTKMOMTASPSKE-UHFFFAOYSA-N -1 1 277.328 1.007 20 0 CDADMM CCC[C@H](C)CC(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000776562819 617673545 /nfs/dbraw/zinc/67/35/45/617673545.db2.gz FLNXPYCPEHJWDX-UWVGGRQHSA-N -1 1 283.401 1.643 20 0 CDADMM CC(C)OC(=O)c1cc(NC(=O)[C@]2(C)CCCOC2)n[nH]1 ZINC000888119043 620750419 /nfs/dbraw/zinc/75/04/19/620750419.db2.gz 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Cc1cc(F)cc(C(=O)N2CCC(c3nn[n-]n3)CC2)c1 ZINC000913743951 630742625 /nfs/dbraw/zinc/74/26/25/630742625.db2.gz SXNPVFWLAYURMO-UHFFFAOYSA-N -1 1 289.314 1.667 20 0 CDADMM Cc1ccc(C=CC(=O)N2CCC(c3nn[n-]n3)CC2)cn1 ZINC000913744566 630742822 /nfs/dbraw/zinc/74/28/22/630742822.db2.gz UHSCYJGNHRMWQK-SNAWJCMRSA-N -1 1 298.350 1.323 20 0 CDADMM Cc1n[nH]cc1C(=O)N[N-]C(=O)c1cccc(Cl)c1F ZINC000153233185 631518539 /nfs/dbraw/zinc/51/85/39/631518539.db2.gz IXUVVRIYKXXHCM-UHFFFAOYSA-N -1 1 296.689 1.585 20 0 CDADMM CCc1noc(CC)c1CC(=O)[N-]OC(C)(C)CO ZINC000836805090 631747907 /nfs/dbraw/zinc/74/79/07/631747907.db2.gz UMIDBQDNBYACFJ-UHFFFAOYSA-N -1 1 270.329 1.161 20 0 CDADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@@H](CF)C1 ZINC000916115577 631912948 /nfs/dbraw/zinc/91/29/48/631912948.db2.gz YWUYXOHYAIMJSX-QMMMGPOBSA-N -1 1 285.344 1.644 20 0 CDADMM Cc1nc(SCC(=O)c2nccn2C)[n-]c(=O)c1C ZINC000917419631 632211656 /nfs/dbraw/zinc/21/16/56/632211656.db2.gz VYYOHDXXKPLYNE-UHFFFAOYSA-N -1 1 278.337 1.508 20 0 CDADMM COC(=O)/C=C(/C)CSc1nc(C(=O)OC)c[n-]1 ZINC000917496028 632227573 /nfs/dbraw/zinc/22/75/73/632227573.db2.gz JDYMDNXAVYGIFY-DAXSKMNVSA-N -1 1 270.310 1.408 20 0 CDADMM CCc1cc(=O)[n-]c(SC[C@H]2COCCO2)n1 ZINC000917507600 632230185 /nfs/dbraw/zinc/23/01/85/632230185.db2.gz AYCXKKIWZLZUMC-SECBINFHSA-N -1 1 256.327 1.252 20 0 CDADMM C[C@]1(c2ccccc2)CCCN1C(=O)CCc1nn[n-]n1 ZINC000920953309 632860033 /nfs/dbraw/zinc/86/00/33/632860033.db2.gz AQZJHDNBSZQPGV-OAHLLOKOSA-N -1 1 285.351 1.670 20 0 CDADMM Cc1cnc2ncc(Nc3[n-]c(=O)nc4nc[nH]c43)cc2n1 ZINC001170232045 1162307712 /nfs/dbraw/zinc/30/77/12/1162307712.db2.gz GCPSMWDDEKPYFY-UHFFFAOYSA-N -1 1 294.278 1.449 20 0 CDADMM COC(=O)c1cc(Nc2[n-]c(=O)nc3nc[nH]c32)ccc1C ZINC001170233238 1162308686 /nfs/dbraw/zinc/30/86/86/1162308686.db2.gz MBVSLSATISUBKD-UHFFFAOYSA-N -1 1 299.290 1.897 20 0 CDADMM CCOCc1cncc(Nc2[n-]c(=O)nc3nc[nH]c32)c1 ZINC001170230160 1162318527 /nfs/dbraw/zinc/31/85/27/1162318527.db2.gz LZHWQGSFIMWYRM-UHFFFAOYSA-N -1 1 286.295 1.734 20 0 CDADMM CN1CCN(Cc2ccc(Cl)cc2C(=O)[O-])CC1 ZINC000258037193 1159988590 /nfs/dbraw/zinc/98/85/90/1159988590.db2.gz DCJDBKWLWNGYOI-UHFFFAOYSA-N -1 1 268.744 1.786 20 0 CDADMM NC(=O)C12CC(NC(=O)c3c([O-])ccc4ccccc43)(C1)C2 ZINC001269090457 1160029949 /nfs/dbraw/zinc/02/99/49/1160029949.db2.gz YEFANFSIDAAZLG-UHFFFAOYSA-N -1 1 296.326 1.683 20 0 CDADMM CC(C)(CNCc1cn(CC(=O)[O-])nn1)C(C)(F)F ZINC001604250045 1163134116 /nfs/dbraw/zinc/13/41/16/1163134116.db2.gz XNFNGKTZLABEFU-UHFFFAOYSA-N -1 1 276.287 1.134 20 0 CDADMM Nc1cccc(S(=O)(=O)[N-]c2ccc3nonc3c2)c1 ZINC000138299371 1160705354 /nfs/dbraw/zinc/70/53/54/1160705354.db2.gz ATGRBOFUTRYFBT-UHFFFAOYSA-N -1 1 290.304 1.606 20 0 CDADMM C[C@@H](NC(=O)[C@@H](C)N(C)C)c1ccc(OCC(=O)[O-])cc1 ZINC001604301816 1163144727 /nfs/dbraw/zinc/14/47/27/1163144727.db2.gz YTCADVXTRFXPIU-GHMZBOCLSA-N -1 1 294.351 1.277 20 0 CDADMM C[C@@](O)(CNCc1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001604375335 1163167739 /nfs/dbraw/zinc/16/77/39/1163167739.db2.gz AVIYRSOJTNJBMW-CQSZACIVSA-N -1 1 292.360 1.839 20 0 CDADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@@H](C)Nc1ncccn1 ZINC001112982878 1162061777 /nfs/dbraw/zinc/06/17/77/1162061777.db2.gz CSHMRCWKKAEBLO-NXEZZACHSA-N -1 1 287.323 1.196 20 0 CDADMM CCc1ccc(Cn2cc(-c3nn[n-]n3)ccc2=O)nc1 ZINC001604524281 1163217975 /nfs/dbraw/zinc/21/79/75/1163217975.db2.gz AVGPLYRSRYHVOT-UHFFFAOYSA-N -1 1 282.307 1.034 20 0 CDADMM CCc1noc(C)c1CNc1nccnc1-c1nnn[n-]1 ZINC001604586708 1163239801 /nfs/dbraw/zinc/23/98/01/1163239801.db2.gz SZJNQSHUDWRYDJ-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CCc1noc(C)c1CNc1nccnc1-c1nn[n-]n1 ZINC001604586708 1163239804 /nfs/dbraw/zinc/23/98/04/1163239804.db2.gz SZJNQSHUDWRYDJ-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM C/C=C/C=C/C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001604846925 1163351048 /nfs/dbraw/zinc/35/10/48/1163351048.db2.gz QRONJQYIQUKAHM-KANVGOIPSA-N -1 1 266.341 1.126 20 0 CDADMM CO[C@@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)C12CCC2 ZINC001605023330 1163421771 /nfs/dbraw/zinc/42/17/71/1163421771.db2.gz DHDHUNNWZKGTJQ-VXGBXAGGSA-N -1 1 286.339 1.053 20 0 CDADMM CO[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)C12CCC2 ZINC001605023330 1163421776 /nfs/dbraw/zinc/42/17/76/1163421776.db2.gz DHDHUNNWZKGTJQ-VXGBXAGGSA-N -1 1 286.339 1.053 20 0 CDADMM COC[C@@H](OC(=O)c1cc(-c2nnn[n-]2)oc1C)C1CC1 ZINC001605060358 1163437060 /nfs/dbraw/zinc/43/70/60/1163437060.db2.gz XOZWTKQPQOKLNO-LLVKDONJSA-N -1 1 292.295 1.350 20 0 CDADMM COC[C@@H](OC(=O)c1cc(-c2nn[n-]n2)oc1C)C1CC1 ZINC001605060358 1163437067 /nfs/dbraw/zinc/43/70/67/1163437067.db2.gz XOZWTKQPQOKLNO-LLVKDONJSA-N -1 1 292.295 1.350 20 0 CDADMM CCCN1CCCN(Cc2ccccc2C(=O)[O-])CC1=O ZINC001605325155 1163526200 /nfs/dbraw/zinc/52/62/00/1163526200.db2.gz PZQSALURQPPPHJ-UHFFFAOYSA-N -1 1 290.363 1.829 20 0 CDADMM Cc1c[nH]c(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)n1 ZINC001605502952 1163588230 /nfs/dbraw/zinc/58/82/30/1163588230.db2.gz CJTLPSMZTBDBTF-UHFFFAOYSA-N -1 1 290.718 1.559 20 0 CDADMM Cc1c[nH]c(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)n1 ZINC001605502952 1163588236 /nfs/dbraw/zinc/58/82/36/1163588236.db2.gz CJTLPSMZTBDBTF-UHFFFAOYSA-N -1 1 290.718 1.559 20 0 CDADMM CCOC(=O)COc1ccc(CN[C@H](CF)C(=O)[O-])cc1 ZINC001605544740 1163607076 /nfs/dbraw/zinc/60/70/76/1163607076.db2.gz PPYILTUNSQREEK-GFCCVEGCSA-N -1 1 299.298 1.141 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CSC[C@@H]2C)n1 ZINC001605572287 1163613101 /nfs/dbraw/zinc/61/31/01/1163613101.db2.gz DWKZPBMTZGRICS-IMTBSYHQSA-N -1 1 277.357 1.129 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CSC[C@@H]2C)n1 ZINC001605572287 1163613102 /nfs/dbraw/zinc/61/31/02/1163613102.db2.gz DWKZPBMTZGRICS-IMTBSYHQSA-N -1 1 277.357 1.129 20 0 CDADMM Cc1cc(C)c(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)s1 ZINC001605641381 1163632101 /nfs/dbraw/zinc/63/21/01/1163632101.db2.gz XMPUKXNNFALBKO-UHFFFAOYSA-N -1 1 289.324 1.520 20 0 CDADMM CN(C(=O)CN1CCCC1)c1ccccc1C(=O)[O-] ZINC001605960832 1163729881 /nfs/dbraw/zinc/72/98/81/1163729881.db2.gz KLQWPENVTDMAKM-UHFFFAOYSA-N -1 1 262.309 1.443 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)c1-c1nn[n-]n1 ZINC001606014677 1163743705 /nfs/dbraw/zinc/74/37/05/1163743705.db2.gz MQRMKJBZKYXEAO-KHUJYXKRSA-N -1 1 299.338 1.129 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@H]3CCC[C@H]32)n1 ZINC001606020907 1163748693 /nfs/dbraw/zinc/74/86/93/1163748693.db2.gz DUSOZJZCGWXKPE-ZYHUDNBSSA-N -1 1 285.355 1.734 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@H]3CCC[C@H]32)n1 ZINC001606020907 1163748702 /nfs/dbraw/zinc/74/87/02/1163748702.db2.gz DUSOZJZCGWXKPE-ZYHUDNBSSA-N -1 1 285.355 1.734 20 0 CDADMM Cc1nc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)cs1 ZINC001606058381 1163758480 /nfs/dbraw/zinc/75/84/80/1163758480.db2.gz YEUIBIYWYIIRDG-UHFFFAOYSA-N -1 1 290.308 1.785 20 0 CDADMM Cc1nc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)cs1 ZINC001606058381 1163758484 /nfs/dbraw/zinc/75/84/84/1163758484.db2.gz YEUIBIYWYIIRDG-UHFFFAOYSA-N -1 1 290.308 1.785 20 0 CDADMM CN(CCCC(=O)[O-])C(=O)c1ccc(CN2CCCC2)o1 ZINC001606114825 1163775799 /nfs/dbraw/zinc/77/57/99/1163775799.db2.gz GVIYCTPCYGLARC-UHFFFAOYSA-N -1 1 294.351 1.812 20 0 CDADMM Cc1nn(C)c(NC(=O)c2ccccc2)c1-c1nnn[n-]1 ZINC001606113178 1163776089 /nfs/dbraw/zinc/77/60/89/1163776089.db2.gz XEIVQKIYHZLCFK-UHFFFAOYSA-N -1 1 283.295 1.161 20 0 CDADMM Cc1nn(C)c(NC(=O)c2ccccc2)c1-c1nn[n-]n1 ZINC001606113178 1163776091 /nfs/dbraw/zinc/77/60/91/1163776091.db2.gz XEIVQKIYHZLCFK-UHFFFAOYSA-N -1 1 283.295 1.161 20 0 CDADMM Cc1nsc(N(C)CCCF)c1-c1nn[n-]n1 ZINC001606141685 1163784353 /nfs/dbraw/zinc/78/43/53/1163784353.db2.gz QUQRTADSHININR-UHFFFAOYSA-N -1 1 256.310 1.427 20 0 CDADMM CN(Cc1nccn1C)C[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001606177247 1163798977 /nfs/dbraw/zinc/79/89/77/1163798977.db2.gz UTNGYSFDKNNGQK-RYUDHWBXSA-N -1 1 265.357 1.743 20 0 CDADMM FCC[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001606303058 1163849711 /nfs/dbraw/zinc/84/97/11/1163849711.db2.gz RUAHOGKKNACNPF-VIFPVBQESA-N -1 1 277.307 1.233 20 0 CDADMM FCC[C@@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001606303058 1163849715 /nfs/dbraw/zinc/84/97/15/1163849715.db2.gz RUAHOGKKNACNPF-VIFPVBQESA-N -1 1 277.307 1.233 20 0 CDADMM COC(=O)N(C)CCN(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC001606486181 1163914088 /nfs/dbraw/zinc/91/40/88/1163914088.db2.gz JGJNBVQDTKMSOT-UHFFFAOYSA-N -1 1 298.314 1.654 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@H]1CCCC12CC2 ZINC001606594637 1163935311 /nfs/dbraw/zinc/93/53/11/1163935311.db2.gz KFIJGKWCVUHPEN-LBPRGKRZSA-N -1 1 298.350 1.253 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H]1CCCC12CC2 ZINC001606594637 1163935315 /nfs/dbraw/zinc/93/53/15/1163935315.db2.gz KFIJGKWCVUHPEN-LBPRGKRZSA-N -1 1 298.350 1.253 20 0 CDADMM O=C(NCC12CCC(CC1)C2)c1ccnc(-c2nnn[n-]2)c1 ZINC001606715691 1163969722 /nfs/dbraw/zinc/96/97/22/1163969722.db2.gz ZHYHBCZTLJMWBD-UHFFFAOYSA-N -1 1 298.350 1.572 20 0 CDADMM O=C(NCC12CCC(CC1)C2)c1ccnc(-c2nn[n-]n2)c1 ZINC001606715691 1163969728 /nfs/dbraw/zinc/96/97/28/1163969728.db2.gz ZHYHBCZTLJMWBD-UHFFFAOYSA-N -1 1 298.350 1.572 20 0 CDADMM O=C(NCC1CCC=CCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001606723855 1163971609 /nfs/dbraw/zinc/97/16/09/1163971609.db2.gz SIQNVJLUIFGCCT-UHFFFAOYSA-N -1 1 298.350 1.738 20 0 CDADMM O=C(NCC1CCC=CCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001606723855 1163971616 /nfs/dbraw/zinc/97/16/16/1163971616.db2.gz SIQNVJLUIFGCCT-UHFFFAOYSA-N -1 1 298.350 1.738 20 0 CDADMM O=C(NC[C@@H]1CCCCO1)c1ccsc1-c1nnn[n-]1 ZINC001606728676 1163974065 /nfs/dbraw/zinc/97/40/65/1163974065.db2.gz FBSVZKPSXCUURL-QMMMGPOBSA-N -1 1 293.352 1.227 20 0 CDADMM O=C(NC[C@@H]1CCCCO1)c1ccsc1-c1nn[n-]n1 ZINC001606728676 1163974072 /nfs/dbraw/zinc/97/40/72/1163974072.db2.gz FBSVZKPSXCUURL-QMMMGPOBSA-N -1 1 293.352 1.227 20 0 CDADMM O=C(NC/C=C\C1CC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606753927 1163982855 /nfs/dbraw/zinc/98/28/55/1163982855.db2.gz ICZDLKGIBKOGBY-UPHRSURJSA-N -1 1 285.311 1.349 20 0 CDADMM O=C(NC/C=C\C1CC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606753927 1163982858 /nfs/dbraw/zinc/98/28/58/1163982858.db2.gz ICZDLKGIBKOGBY-UPHRSURJSA-N -1 1 285.311 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UUYGMUBFNJZEKV-VWYCJHECSA-N -1 1 287.323 1.598 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OC[C@@H]2C[C@H]3CCC[C@@H]3O2)c1 ZINC001607134087 1164112349 /nfs/dbraw/zinc/11/23/49/1164112349.db2.gz UUYGMUBFNJZEKV-VWYCJHECSA-N -1 1 287.323 1.598 20 0 CDADMM c1ccc2c(c1)CO[C@H]2CNc1cc(-c2nnn[n-]2)ncn1 ZINC001607132704 1164112477 /nfs/dbraw/zinc/11/24/77/1164112477.db2.gz RVLXVPTWCIQRRM-LBPRGKRZSA-N -1 1 295.306 1.340 20 0 CDADMM c1ccc2c(c1)CO[C@H]2CNc1cc(-c2nn[n-]n2)ncn1 ZINC001607132704 1164112484 /nfs/dbraw/zinc/11/24/84/1164112484.db2.gz RVLXVPTWCIQRRM-LBPRGKRZSA-N -1 1 295.306 1.340 20 0 CDADMM c1coc([C@H]2CCN(c3cc(-c4nnn[n-]4)ncn3)C2)c1 ZINC001607135469 1164113999 /nfs/dbraw/zinc/11/39/99/1164113999.db2.gz FACXGRVCZYSHLK-VIFPVBQESA-N -1 1 283.295 1.244 20 0 CDADMM c1coc([C@H]2CCN(c3cc(-c4nn[n-]n4)ncn3)C2)c1 ZINC001607135469 1164114003 /nfs/dbraw/zinc/11/40/03/1164114003.db2.gz FACXGRVCZYSHLK-VIFPVBQESA-N -1 1 283.295 1.244 20 0 CDADMM c1c(CNc2cncc(-c3nnn[n-]3)n2)onc1C1CC1 ZINC001607139009 1164120562 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Cc1ccc(-c2n[nH]cc2CN[C@@H](CF)C(=O)[O-])cc1 ZINC001610480954 1165327649 /nfs/dbraw/zinc/32/76/49/1165327649.db2.gz KINGMBGGQZMARD-LBPRGKRZSA-N -1 1 277.299 1.897 20 0 CDADMM Cc1ccccc1C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001610528462 1165339955 /nfs/dbraw/zinc/33/99/55/1165339955.db2.gz SSKRCOZFWFUPJS-CYBMUJFWSA-N -1 1 290.363 1.616 20 0 CDADMM Cc1ccnc(CN2CCC([C@@H](O)C(=O)[O-])CC2)c1 ZINC001610536632 1165344434 /nfs/dbraw/zinc/34/44/34/1165344434.db2.gz UPRZCBDLKZFGSI-CYBMUJFWSA-N -1 1 264.325 1.048 20 0 CDADMM O=C([O-])c1cccc(NC(=O)C[N@H+]2CC[C@H](C3CC3)C2)n1 ZINC001610662944 1165400158 /nfs/dbraw/zinc/40/01/58/1165400158.db2.gz WIHMQMQSHLTEIW-NSHDSACASA-N -1 1 289.335 1.450 20 0 CDADMM O=C([O-])c1cccc(NC(=O)CN2CC[C@H](C3CC3)C2)n1 ZINC001610662944 1165400162 /nfs/dbraw/zinc/40/01/62/1165400162.db2.gz WIHMQMQSHLTEIW-NSHDSACASA-N -1 1 289.335 1.450 20 0 CDADMM O=C([O-])c1sccc1CN1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC001610885730 1165474824 /nfs/dbraw/zinc/47/48/24/1165474824.db2.gz URVIPRMSTSTMKD-ZJUUUORDSA-N -1 1 296.348 1.377 20 0 CDADMM CN(C(=O)CCc1cnc2ccccc2c1)c1nn[n-]n1 ZINC001617642239 1165602699 /nfs/dbraw/zinc/60/26/99/1165602699.db2.gz MRRBZRRLUFKKBG-UHFFFAOYSA-N -1 1 282.307 1.344 20 0 CDADMM Cn1cnc2cc(NC(=O)c3ccc([O-])cn3)ccc21 ZINC001634629377 1166522957 /nfs/dbraw/zinc/52/29/57/1166522957.db2.gz OGHSMWSBYPNIRK-UHFFFAOYSA-N -1 1 268.276 1.926 20 0 CDADMM CCC[C@H](NC(=O)c1cc2c[nH]ccc-2n1)c1nn[n-]n1 ZINC001635183033 1166566517 /nfs/dbraw/zinc/56/65/17/1166566517.db2.gz RLYLCJQVEUBINV-JTQLQIEISA-N -1 1 285.311 1.347 20 0 CDADMM O=C(Nc1cc([O-])c(F)cc1F)c1cccc2ncnn21 ZINC001637371151 1166751105 /nfs/dbraw/zinc/75/11/05/1166751105.db2.gz SFJVPQSNCYAJMH-UHFFFAOYSA-N -1 1 290.229 1.965 20 0 CDADMM O=C(Cc1ccn(-c2ccccc2)n1)Nc1c[n-][nH]c1=O ZINC001638735526 1166868014 /nfs/dbraw/zinc/86/80/14/1166868014.db2.gz MAFPMRYFCJMUQB-UHFFFAOYSA-N -1 1 283.291 1.482 20 0 CDADMM C[C@H](NC(=O)c1[n-][nH]c2cc(=O)ccc1-2)[C@@H]1CCCO1 ZINC001155275980 1167114185 /nfs/dbraw/zinc/11/41/85/1167114185.db2.gz IHQBAQZHWULVCI-UFBFGSQYSA-N -1 1 275.308 1.566 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cn2nccc2nc1C ZINC001641715230 1167130315 /nfs/dbraw/zinc/13/03/15/1167130315.db2.gz ARPQYMMHDIPNCH-UHFFFAOYSA-N -1 1 272.268 1.027 20 0 CDADMM Cc1n[nH]nc1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001642452918 1167176573 /nfs/dbraw/zinc/17/65/73/1167176573.db2.gz JXRBHBIAIYNNLD-UHFFFAOYSA-N -1 1 284.275 1.930 20 0 CDADMM CC[C@H](C(=O)OCc1nn[n-]n1)c1ccc(OC)cc1 ZINC001646881850 1168222018 /nfs/dbraw/zinc/22/20/18/1168222018.db2.gz GSJIGRWMKJITSG-NSHDSACASA-N -1 1 276.296 1.445 20 0 CDADMM CCNCc1nc(-c2ccc(NCC(=O)[O-])cc2)no1 ZINC001647240158 1168479553 /nfs/dbraw/zinc/47/95/53/1168479553.db2.gz ZUYAATWBSLSFRJ-UHFFFAOYSA-N -1 1 276.296 1.343 20 0 CDADMM COc1cccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)N(C)C)c1 ZINC001650024120 1169621772 /nfs/dbraw/zinc/62/17/72/1169621772.db2.gz WLNZRZUIEPYORT-MFKMUULPSA-N -1 1 294.351 1.277 20 0 CDADMM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)CCN1CC[C@H](F)C1 ZINC001573603259 1170705357 /nfs/dbraw/zinc/70/53/57/1170705357.db2.gz ZGBWAEWFLFUBIF-MJVIPROJSA-N -1 1 286.347 1.180 20 0 CDADMM Cc1cc(CCC(=O)N2C3CCC(CC3)[C@H]2C(=O)[O-])n[nH]1 ZINC001574133410 1170892553 /nfs/dbraw/zinc/89/25/53/1170892553.db2.gz CHBNWZUJWWUIDZ-OVGLSYRBSA-N -1 1 291.351 1.505 20 0 CDADMM Cc1cc(CNCc2cn(C)nc2C(=O)[O-])ccn1 ZINC001574133419 1170893047 /nfs/dbraw/zinc/89/30/47/1170893047.db2.gz CTXCJPVDFZIHJT-UHFFFAOYSA-N -1 1 260.297 1.112 20 0 CDADMM CN1CCc2ccc(Nc3ncncc3-c3nn[n-]n3)cc21 ZINC001579381427 1172163566 /nfs/dbraw/zinc/16/35/66/1172163566.db2.gz HHRHUUKACJLBEE-UHFFFAOYSA-N -1 1 294.322 1.393 20 0 CDADMM Cc1ccccc1C(=O)Cn1cc(-c2nn[n-]n2)ccc1=O ZINC001581250176 1172600882 /nfs/dbraw/zinc/60/08/82/1172600882.db2.gz JLUYWGLTSGAGAO-UHFFFAOYSA-N -1 1 295.302 1.220 20 0 CDADMM C1=CC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C1 ZINC001588385080 1173055955 /nfs/dbraw/zinc/05/59/55/1173055955.db2.gz BRULVTFQFYSOJM-AOOOYVTPSA-N -1 1 269.312 1.059 20 0 CDADMM C1=CC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C1 ZINC001588385080 1173055961 /nfs/dbraw/zinc/05/59/61/1173055961.db2.gz BRULVTFQFYSOJM-AOOOYVTPSA-N -1 1 269.312 1.059 20 0 CDADMM CC(=CC(C)(C)C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001588768886 1173105979 /nfs/dbraw/zinc/10/59/79/1173105979.db2.gz QRIFQQWSWDAQOA-FNORWQNLSA-N -1 1 275.316 1.278 20 0 CDADMM CC(C)(C)SCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001589209162 1173128258 /nfs/dbraw/zinc/12/82/58/1173128258.db2.gz VLGJNJBLCNUQTL-UHFFFAOYSA-N -1 1 279.373 1.600 20 0 CDADMM CC(C)(C)SCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001589209162 1173128272 /nfs/dbraw/zinc/12/82/72/1173128272.db2.gz VLGJNJBLCNUQTL-UHFFFAOYSA-N -1 1 279.373 1.600 20 0 CDADMM CC(C)(CNc1nccnc1-c1nnn[n-]1)OCC1CC1 ZINC001589291915 1173134334 /nfs/dbraw/zinc/13/43/34/1173134334.db2.gz FECXQNJWWFRVON-UHFFFAOYSA-N -1 1 289.343 1.274 20 0 CDADMM CC(C)(CNc1nccnc1-c1nn[n-]n1)OCC1CC1 ZINC001589291915 1173134336 /nfs/dbraw/zinc/13/43/36/1173134336.db2.gz FECXQNJWWFRVON-UHFFFAOYSA-N -1 1 289.343 1.274 20 0 CDADMM CC(C)(CNc1ncncc1-c1nn[n-]n1)C(F)(F)F ZINC001589292180 1173134782 /nfs/dbraw/zinc/13/47/82/1173134782.db2.gz HMUBAGIPELWKMQ-UHFFFAOYSA-N -1 1 287.249 1.657 20 0 CDADMM CC(C)[C@H](F)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001589469086 1173147216 /nfs/dbraw/zinc/14/72/16/1173147216.db2.gz VEFIIRQOSLWLIT-VIFPVBQESA-N -1 1 283.332 1.539 20 0 CDADMM CC(C)OCCON=c1[nH]cc(-c2nn[n-]n2)cc1F ZINC001589748350 1173174405 /nfs/dbraw/zinc/17/44/05/1173174405.db2.gz DCVNYOMAGDAHIL-UHFFFAOYSA-N -1 1 282.279 1.169 20 0 CDADMM CC(C)c1cnc(Cn2cc(-c3nn[n-]n3)ccc2=O)o1 ZINC001589773343 1173176540 /nfs/dbraw/zinc/17/65/40/1173176540.db2.gz CNGKINRSDCKHOB-UHFFFAOYSA-N -1 1 286.295 1.188 20 0 CDADMM CC(C)c1ccccc1Cn1cnc(-c2nn[n-]n2)n1 ZINC001589772824 1173177285 /nfs/dbraw/zinc/17/72/85/1173177285.db2.gz UZABMHOGTLUACH-UHFFFAOYSA-N -1 1 269.312 1.630 20 0 CDADMM C[C@@H](CNc1cc(-c2nnn[n-]2)ncn1)c1ccncc1 ZINC001589876099 1173192516 /nfs/dbraw/zinc/19/25/16/1173192516.db2.gz OEDFDZNVXXYQCH-VIFPVBQESA-N -1 1 282.311 1.267 20 0 CDADMM C[C@@H](CNc1cc(-c2nn[n-]n2)ncn1)c1ccncc1 ZINC001589876099 1173192529 /nfs/dbraw/zinc/19/25/29/1173192529.db2.gz OEDFDZNVXXYQCH-VIFPVBQESA-N -1 1 282.311 1.267 20 0 CDADMM C[C@H](Cc1cccnc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589900676 1173197327 /nfs/dbraw/zinc/19/73/27/1173197327.db2.gz AHCQPTFQTYMYPE-SNVBAGLBSA-N -1 1 281.323 1.700 20 0 CDADMM C[C@H](Cc1cccnc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589900676 1173197333 /nfs/dbraw/zinc/19/73/33/1173197333.db2.gz AHCQPTFQTYMYPE-SNVBAGLBSA-N -1 1 281.323 1.700 20 0 CDADMM CC1(C)CC(Cn2cc(-c3nn[n-]n3)ccc2=O)C1 ZINC001590080674 1173249387 /nfs/dbraw/zinc/24/93/87/1173249387.db2.gz OBDBFXOIHQPFOR-UHFFFAOYSA-N -1 1 259.313 1.465 20 0 CDADMM CC1(C)C[C@]1(C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590086481 1173251599 /nfs/dbraw/zinc/25/15/99/1173251599.db2.gz KBLQQEHOICLTQR-ZDUSSCGKSA-N -1 1 272.312 1.180 20 0 CDADMM CC1(C)C[C@]1(C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590086481 1173251605 /nfs/dbraw/zinc/25/16/05/1173251605.db2.gz KBLQQEHOICLTQR-ZDUSSCGKSA-N -1 1 272.312 1.180 20 0 CDADMM CC1(C)C[C@@]1(C)CNc1nccnc1-c1nnn[n-]1 ZINC001590086751 1173251722 /nfs/dbraw/zinc/25/17/22/1173251722.db2.gz MCTQUUAEIYVEIZ-LBPRGKRZSA-N -1 1 259.317 1.505 20 0 CDADMM CC1(C)CCN1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590100824 1173257528 /nfs/dbraw/zinc/25/75/28/1173257528.db2.gz ZPHKEOLXWKOSIH-UHFFFAOYSA-N -1 1 292.368 1.622 20 0 CDADMM CC1(C)CN(c2cc(-c3nnn[n-]3)ncn2)[C@@H]1c1ccco1 ZINC001590105443 1173259624 /nfs/dbraw/zinc/25/96/24/1173259624.db2.gz AXZPRKPPWJVRFP-GFCCVEGCSA-N -1 1 297.322 1.837 20 0 CDADMM CC1(C)CN(c2cc(-c3nn[n-]n3)ncn2)[C@@H]1c1ccco1 ZINC001590105443 1173259627 /nfs/dbraw/zinc/25/96/27/1173259627.db2.gz AXZPRKPPWJVRFP-GFCCVEGCSA-N -1 1 297.322 1.837 20 0 CDADMM C[C@@]12CCN(c3cccc(-c4nnn[n-]4)n3)C[C@@H]1C2(F)F ZINC001590158039 1173275373 /nfs/dbraw/zinc/27/53/73/1173275373.db2.gz WBRPWEVXGXDLIS-JOYOIKCWSA-N -1 1 292.293 1.743 20 0 CDADMM C[C@@]12CCN(c3cccc(-c4nn[n-]n4)n3)C[C@@H]1C2(F)F ZINC001590158039 1173275379 /nfs/dbraw/zinc/27/53/79/1173275379.db2.gz WBRPWEVXGXDLIS-JOYOIKCWSA-N -1 1 292.293 1.743 20 0 CDADMM Cc1nsc(NC[C@@H]2CC(C)=NO2)c1-c1nn[n-]n1 ZINC001590163454 1173277249 /nfs/dbraw/zinc/27/72/49/1173277249.db2.gz VLKFMGFSSDWHMZ-ZETCQYMHSA-N -1 1 279.329 1.208 20 0 CDADMM C[C@@H]1C[C@H](C)CN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590189015 1173284273 /nfs/dbraw/zinc/28/42/73/1173284273.db2.gz UJLRZAXQPRYIAU-DTORHVGOSA-N -1 1 275.312 1.578 20 0 CDADMM C[C@@H]1C[C@H](C)CN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590189015 1173284277 /nfs/dbraw/zinc/28/42/77/1173284277.db2.gz UJLRZAXQPRYIAU-DTORHVGOSA-N -1 1 275.312 1.578 20 0 CDADMM CC1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001590230610 1173307254 /nfs/dbraw/zinc/30/72/54/1173307254.db2.gz LURWVJRUIUKHSD-UHFFFAOYSA-N -1 1 273.344 1.672 20 0 CDADMM CC1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001590230610 1173307260 /nfs/dbraw/zinc/30/72/60/1173307260.db2.gz LURWVJRUIUKHSD-UHFFFAOYSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1CCCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590254093 1173320331 /nfs/dbraw/zinc/32/03/31/1173320331.db2.gz JQVQWFBUHZAGON-SNVBAGLBSA-N -1 1 258.329 1.888 20 0 CDADMM C[C@@H]1CCCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590254093 1173320339 /nfs/dbraw/zinc/32/03/39/1173320339.db2.gz JQVQWFBUHZAGON-SNVBAGLBSA-N -1 1 258.329 1.888 20 0 CDADMM CC[C@](C)(CO)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590381495 1173383191 /nfs/dbraw/zinc/38/31/91/1173383191.db2.gz LPYGCTGMNMDZHN-CYBMUJFWSA-N -1 1 289.343 1.107 20 0 CDADMM CC[C@](C)(CO)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590381495 1173383195 /nfs/dbraw/zinc/38/31/95/1173383195.db2.gz LPYGCTGMNMDZHN-CYBMUJFWSA-N -1 1 289.343 1.107 20 0 CDADMM CC[C@@H]1CCCN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590513472 1173442169 /nfs/dbraw/zinc/44/21/69/1173442169.db2.gz SVFMRTMWMZAEOY-SECBINFHSA-N -1 1 275.312 1.722 20 0 CDADMM CC[C@@H]1CCCN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590513472 1173442174 /nfs/dbraw/zinc/44/21/74/1173442174.db2.gz SVFMRTMWMZAEOY-SECBINFHSA-N -1 1 275.312 1.722 20 0 CDADMM CC[C@@H]1CN(c2ccnc(-c3nnn[n-]3)c2)C[C@@H](CC)O1 ZINC001590520272 1173448426 /nfs/dbraw/zinc/44/84/26/1173448426.db2.gz GONSYRGWDXJCLE-VXGBXAGGSA-N -1 1 288.355 1.656 20 0 CDADMM CC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)c2)C[C@@H](CC)O1 ZINC001590520272 1173448432 /nfs/dbraw/zinc/44/84/32/1173448432.db2.gz GONSYRGWDXJCLE-VXGBXAGGSA-N -1 1 288.355 1.656 20 0 CDADMM CC[C@@H]1CN(c2ccc(C)nc2-c2nnn[n-]2)CCO1 ZINC001590522517 1173449910 /nfs/dbraw/zinc/44/99/10/1173449910.db2.gz QVDCYRMLPWCOQR-SNVBAGLBSA-N -1 1 274.328 1.185 20 0 CDADMM CC[C@@H]1CN(c2ccc(C)nc2-c2nn[n-]n2)CCO1 ZINC001590522517 1173449916 /nfs/dbraw/zinc/44/99/16/1173449916.db2.gz QVDCYRMLPWCOQR-SNVBAGLBSA-N -1 1 274.328 1.185 20 0 CDADMM CCC[C@@H](C)CC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590549587 1173456994 /nfs/dbraw/zinc/45/69/94/1173456994.db2.gz JSSSGIWYDPIPSD-MRVPVSSYSA-N -1 1 277.332 1.365 20 0 CDADMM CCC[C@@H](C)CC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590549587 1173456999 /nfs/dbraw/zinc/45/69/99/1173456999.db2.gz JSSSGIWYDPIPSD-MRVPVSSYSA-N -1 1 277.332 1.365 20 0 CDADMM CCC[C@@H](OC)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001590560886 1173463801 /nfs/dbraw/zinc/46/38/01/1173463801.db2.gz NVZLJDBJXBUFRK-LLVKDONJSA-N -1 1 291.311 1.326 20 0 CDADMM CCC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001590571395 1173466798 /nfs/dbraw/zinc/46/67/98/1173466798.db2.gz APWJUDXAMNZIJF-SECBINFHSA-N -1 1 259.317 1.426 20 0 CDADMM CCCn1cc(NCc2nc(-c3nnn[n-]3)cs2)cn1 ZINC001590663921 1173484489 /nfs/dbraw/zinc/48/44/89/1173484489.db2.gz CRWLIYCXBNXLBU-UHFFFAOYSA-N -1 1 290.356 1.542 20 0 CDADMM CCCn1cc(NCc2nc(-c3nn[n-]n3)cs2)cn1 ZINC001590663921 1173484496 /nfs/dbraw/zinc/48/44/96/1173484496.db2.gz CRWLIYCXBNXLBU-UHFFFAOYSA-N -1 1 290.356 1.542 20 0 CDADMM CCN(CC1CCC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001590691605 1173493464 /nfs/dbraw/zinc/49/34/64/1173493464.db2.gz WPIHSDMXVDMWLR-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CCN(CC1CCC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001590691605 1173493468 /nfs/dbraw/zinc/49/34/68/1173493468.db2.gz WPIHSDMXVDMWLR-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CCN(Cc1ccc(-c2nnn[n-]2)o1)C(C)(C)C(=O)OC ZINC001590719870 1173500058 /nfs/dbraw/zinc/50/00/58/1173500058.db2.gz VQNNHBMGVJVMQP-UHFFFAOYSA-N -1 1 293.327 1.233 20 0 CDADMM CCN(Cc1ccc(-c2nn[n-]n2)o1)C(C)(C)C(=O)OC ZINC001590719870 1173500062 /nfs/dbraw/zinc/50/00/62/1173500062.db2.gz VQNNHBMGVJVMQP-UHFFFAOYSA-N -1 1 293.327 1.233 20 0 CDADMM CCc1cccc(CC(=O)Nc2c[nH]nc2-c2nn[n-]n2)c1 ZINC001590896244 1173535621 /nfs/dbraw/zinc/53/56/21/1173535621.db2.gz DEGCHPYCEVZLIB-UHFFFAOYSA-N -1 1 297.322 1.333 20 0 CDADMM CCc1nc(N[C@@H](C)c2nccn2C)cc(-c2nnn[n-]2)n1 ZINC001590916292 1173540754 /nfs/dbraw/zinc/54/07/54/1173540754.db2.gz CJYNBERTEVZISU-QMMMGPOBSA-N -1 1 299.342 1.126 20 0 CDADMM CCc1nc(N[C@@H](C)c2nccn2C)cc(-c2nn[n-]n2)n1 ZINC001590916292 1173540757 /nfs/dbraw/zinc/54/07/57/1173540757.db2.gz CJYNBERTEVZISU-QMMMGPOBSA-N -1 1 299.342 1.126 20 0 CDADMM CO[C@@](C)([C@H](C)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001591317732 1173604455 /nfs/dbraw/zinc/60/44/55/1173604455.db2.gz HFELSRDBILURFW-XPTSAGLGSA-N -1 1 288.355 1.877 20 0 CDADMM CO[C@@](C)([C@H](C)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001591317732 1173604459 /nfs/dbraw/zinc/60/44/59/1173604459.db2.gz HFELSRDBILURFW-XPTSAGLGSA-N -1 1 288.355 1.877 20 0 CDADMM CO[C@]1(C)CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001591338799 1173617039 /nfs/dbraw/zinc/61/70/39/1173617039.db2.gz NORCIDWYOZAGFM-CYBMUJFWSA-N -1 1 289.343 1.052 20 0 CDADMM COC[C@@H]1CCCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001591391974 1173640748 /nfs/dbraw/zinc/64/07/48/1173640748.db2.gz AYRYBBSEDIBDKC-LLVKDONJSA-N -1 1 288.355 1.515 20 0 CDADMM COC[C@@H]1CCCCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001591391974 1173640754 /nfs/dbraw/zinc/64/07/54/1173640754.db2.gz AYRYBBSEDIBDKC-LLVKDONJSA-N -1 1 288.355 1.515 20 0 CDADMM COCC1(N(C)C(=O)c2csc(-c3nn[n-]n3)c2)CC1 ZINC001591389589 1173642252 /nfs/dbraw/zinc/64/22/52/1173642252.db2.gz YRGSUIUWQGNXRP-UHFFFAOYSA-N -1 1 293.352 1.179 20 0 CDADMM COCC1CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001591394225 1173645077 /nfs/dbraw/zinc/64/50/77/1173645077.db2.gz PBWOBYWTVWBRDI-UHFFFAOYSA-N -1 1 274.328 1.125 20 0 CDADMM COCC1CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001591394225 1173645079 /nfs/dbraw/zinc/64/50/79/1173645079.db2.gz PBWOBYWTVWBRDI-UHFFFAOYSA-N -1 1 274.328 1.125 20 0 CDADMM CO[C@H]1C[C@@H](CNc2cccnc2-c2nnn[n-]2)C1 ZINC001591472956 1173658736 /nfs/dbraw/zinc/65/87/36/1173658736.db2.gz NMEDJPPNZNRDQP-DTORHVGOSA-N -1 1 260.301 1.099 20 0 CDADMM CO[C@H]1C[C@@H](CNc2cccnc2-c2nn[n-]n2)C1 ZINC001591472956 1173658740 /nfs/dbraw/zinc/65/87/40/1173658740.db2.gz NMEDJPPNZNRDQP-DTORHVGOSA-N -1 1 260.301 1.099 20 0 CDADMM C[C@@H]1C[C@H](Cn2cccc(-c3nn[n-]n3)c2=O)C[C@H](C)O1 ZINC001591774783 1173698524 /nfs/dbraw/zinc/69/85/24/1173698524.db2.gz MXRFTYFNDBOUFQ-URLYPYJESA-N -1 1 289.339 1.232 20 0 CDADMM C[C@@]12COC[C@]1(C)CN(c1ccnc(-c3nnn[n-]3)c1)C2 ZINC001591781115 1173702600 /nfs/dbraw/zinc/70/26/00/1173702600.db2.gz ZRNGOKBSJNWUJQ-OKILXGFUSA-N -1 1 286.339 1.125 20 0 CDADMM C[C@@]12COC[C@]1(C)CN(c1ccnc(-c3nn[n-]n3)c1)C2 ZINC001591781115 1173702606 /nfs/dbraw/zinc/70/26/06/1173702606.db2.gz ZRNGOKBSJNWUJQ-OKILXGFUSA-N -1 1 286.339 1.125 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](CF)C2)c1 ZINC001591889523 1173738306 /nfs/dbraw/zinc/73/83/06/1173738306.db2.gz RLNHNLAGMZCEET-JTQLQIEISA-N -1 1 276.319 1.756 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](CF)C2)c1 ZINC001591889523 1173738311 /nfs/dbraw/zinc/73/83/11/1173738311.db2.gz RLNHNLAGMZCEET-JTQLQIEISA-N -1 1 276.319 1.756 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)c2nccnc2C)n1 ZINC001591890897 1173741721 /nfs/dbraw/zinc/74/17/21/1173741721.db2.gz KTDPHRKUFVIMDJ-VIFPVBQESA-N -1 1 297.326 1.237 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)c2nccnc2C)n1 ZINC001591890897 1173741727 /nfs/dbraw/zinc/74/17/27/1173741727.db2.gz KTDPHRKUFVIMDJ-VIFPVBQESA-N -1 1 297.326 1.237 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)C[C@@H]2CCOC2)n1 ZINC001591891198 1173741857 /nfs/dbraw/zinc/74/18/57/1173741857.db2.gz XDVPSOTVUQNRHK-WPRPVWTQSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)C[C@@H]2CCOC2)n1 ZINC001591891198 1173741863 /nfs/dbraw/zinc/74/18/63/1173741863.db2.gz XDVPSOTVUQNRHK-WPRPVWTQSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1cc(C)nc(NCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001591957711 1173753981 /nfs/dbraw/zinc/75/39/81/1173753981.db2.gz CDOQCKRWRSFIGL-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1cc(C)nc(NCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001591957711 1173753986 /nfs/dbraw/zinc/75/39/86/1173753986.db2.gz CDOQCKRWRSFIGL-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1cc(N[C@H]2CC23CCOCC3)nc(-c2nnn[n-]2)c1 ZINC001592036784 1173781694 /nfs/dbraw/zinc/78/16/94/1173781694.db2.gz YPGLVAMJAILGLF-NSHDSACASA-N -1 1 286.339 1.551 20 0 CDADMM Cc1cc(N[C@H]2CC23CCOCC3)nc(-c2nn[n-]n2)c1 ZINC001592036784 1173781697 /nfs/dbraw/zinc/78/16/97/1173781697.db2.gz YPGLVAMJAILGLF-NSHDSACASA-N -1 1 286.339 1.551 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC([C@@H](C)O)CC1 ZINC001592109822 1173802047 /nfs/dbraw/zinc/80/20/47/1173802047.db2.gz DDAUCFYVDVAJQS-SNVBAGLBSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(NCCC2(CO)CCC2)c(-c2nnn[n-]2)n1 ZINC001592182955 1173824846 /nfs/dbraw/zinc/82/48/46/1173824846.db2.gz HEZBKHQZVUUNLB-UHFFFAOYSA-N -1 1 288.355 1.535 20 0 CDADMM Cc1ccc(NCCC2(CO)CCC2)c(-c2nn[n-]n2)n1 ZINC001592182955 1173824852 /nfs/dbraw/zinc/82/48/52/1173824852.db2.gz HEZBKHQZVUUNLB-UHFFFAOYSA-N -1 1 288.355 1.535 20 0 CDADMM Cc1ccc(N[C@H]2C[C@@H](OC(C)C)C2)nc1-c1nnn[n-]1 ZINC001592186727 1173831018 /nfs/dbraw/zinc/83/10/18/1173831018.db2.gz YVPDSEHOIUUQFV-PHIMTYICSA-N -1 1 288.355 1.938 20 0 CDADMM Cc1ccc(N[C@H]2C[C@@H](OC(C)C)C2)nc1-c1nn[n-]n1 ZINC001592186727 1173831022 /nfs/dbraw/zinc/83/10/22/1173831022.db2.gz YVPDSEHOIUUQFV-PHIMTYICSA-N -1 1 288.355 1.938 20 0 CDADMM Cc1cccc(CNc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001592230931 1173836222 /nfs/dbraw/zinc/83/62/22/1173836222.db2.gz XABLQTFOLCNEBK-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1cccc(CNc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001592230931 1173836228 /nfs/dbraw/zinc/83/62/28/1173836228.db2.gz XABLQTFOLCNEBK-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@]3(CC[C@@H](C)C3)C2)n1 ZINC001592338282 1173858466 /nfs/dbraw/zinc/85/84/66/1173858466.db2.gz XYSMKYRPUAXHHV-BMIGLBTASA-N -1 1 299.382 1.982 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@]3(CC[C@@H](C)C3)C2)n1 ZINC001592338282 1173858473 /nfs/dbraw/zinc/85/84/73/1173858473.db2.gz XYSMKYRPUAXHHV-BMIGLBTASA-N -1 1 299.382 1.982 20 0 CDADMM Cc1nc(N[C@@H]2CSC[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592383671 1173877446 /nfs/dbraw/zinc/87/74/46/1173877446.db2.gz FUPPPJUABYPLRK-HZGVNTEJSA-N -1 1 277.357 1.129 20 0 CDADMM Cc1nc(N[C@@H]2CSC[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592383671 1173877450 /nfs/dbraw/zinc/87/74/50/1173877450.db2.gz FUPPPJUABYPLRK-HZGVNTEJSA-N -1 1 277.357 1.129 20 0 CDADMM FCC[C@H]1CCCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001592632194 1173940568 /nfs/dbraw/zinc/94/05/68/1173940568.db2.gz RSGQLGFZLBBLOU-SNVBAGLBSA-N -1 1 276.319 1.838 20 0 CDADMM FCC[C@H]1CCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001592632194 1173940565 /nfs/dbraw/zinc/94/05/65/1173940565.db2.gz RSGQLGFZLBBLOU-SNVBAGLBSA-N -1 1 276.319 1.838 20 0 CDADMM FC[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001592632661 1173944921 /nfs/dbraw/zinc/94/49/21/1173944921.db2.gz ZNKHMDXSMORMGU-RXMQYKEDSA-N -1 1 288.739 1.772 20 0 CDADMM FC[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001592632661 1173944926 /nfs/dbraw/zinc/94/49/26/1173944926.db2.gz ZNKHMDXSMORMGU-RXMQYKEDSA-N -1 1 288.739 1.772 20 0 CDADMM Fc1cc(COc2cccnc2-c2nnn[n-]2)ccn1 ZINC001592639312 1173947942 /nfs/dbraw/zinc/94/79/42/1173947942.db2.gz WWXLCPGFMKFBBW-UHFFFAOYSA-N -1 1 272.243 1.375 20 0 CDADMM Fc1cc(COc2cccnc2-c2nn[n-]n2)ccn1 ZINC001592639312 1173947944 /nfs/dbraw/zinc/94/79/44/1173947944.db2.gz WWXLCPGFMKFBBW-UHFFFAOYSA-N -1 1 272.243 1.375 20 0 CDADMM Fc1cccc2c1CN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001592660540 1173957441 /nfs/dbraw/zinc/95/74/41/1173957441.db2.gz DTJUIVLTUDLETL-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM Fc1cccc2c1CN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001592660540 1173957447 /nfs/dbraw/zinc/95/74/47/1173957447.db2.gz DTJUIVLTUDLETL-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM NC(=O)Nc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001592733557 1173982603 /nfs/dbraw/zinc/98/26/03/1173982603.db2.gz XOSWRAYUOKTMST-UHFFFAOYSA-N -1 1 297.278 1.545 20 0 CDADMM NC(=O)Nc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001592733557 1173982608 /nfs/dbraw/zinc/98/26/08/1173982608.db2.gz XOSWRAYUOKTMST-UHFFFAOYSA-N -1 1 297.278 1.545 20 0 CDADMM O=C(CCC1CCC1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592829735 1173994887 /nfs/dbraw/zinc/99/48/87/1173994887.db2.gz HHDZXPUTEAMEEC-UHFFFAOYSA-N -1 1 261.289 1.109 20 0 CDADMM O=C(C[C@H]1CCCO1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592823528 1173995889 /nfs/dbraw/zinc/99/58/89/1173995889.db2.gz UBFDXRVDERSKLB-MRVPVSSYSA-N -1 1 293.352 1.114 20 0 CDADMM O=C(CCCc1ccccc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592840070 1173997478 /nfs/dbraw/zinc/99/74/78/1173997478.db2.gz ROQMNXMDLXCFMD-UHFFFAOYSA-N -1 1 297.322 1.551 20 0 CDADMM O=C(CCCc1ccccc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592840070 1173997481 /nfs/dbraw/zinc/99/74/81/1173997481.db2.gz ROQMNXMDLXCFMD-UHFFFAOYSA-N -1 1 297.322 1.551 20 0 CDADMM O=C(NCCC[C@@H]1C=CCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593066771 1174020459 /nfs/dbraw/zinc/02/04/59/1174020459.db2.gz LSBNRBZSVVSWQY-LLVKDONJSA-N -1 1 298.350 1.738 20 0 CDADMM O=C(NCCC[C@@H]1C=CCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593066771 1174020470 /nfs/dbraw/zinc/02/04/70/1174020470.db2.gz LSBNRBZSVVSWQY-LLVKDONJSA-N -1 1 298.350 1.738 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC001593198059 1174032606 /nfs/dbraw/zinc/03/26/06/1174032606.db2.gz USDVFNAOXMLFAN-UHFFFAOYSA-N -1 1 291.221 1.120 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC001593198059 1174032614 /nfs/dbraw/zinc/03/26/14/1174032614.db2.gz USDVFNAOXMLFAN-UHFFFAOYSA-N -1 1 291.221 1.120 20 0 CDADMM O=C(OC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc(-c2nnn[n-]2)n1 ZINC001593285301 1174052532 /nfs/dbraw/zinc/05/25/32/1174052532.db2.gz ZTTGPTQBBZMHPM-MXWKQRLJSA-N -1 1 299.334 1.855 20 0 CDADMM O=C(OC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc(-c2nn[n-]n2)n1 ZINC001593285301 1174052535 /nfs/dbraw/zinc/05/25/35/1174052535.db2.gz ZTTGPTQBBZMHPM-MXWKQRLJSA-N -1 1 299.334 1.855 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCc2ncccc21 ZINC001593369908 1174071371 /nfs/dbraw/zinc/07/13/71/1174071371.db2.gz QXHGOYSTEAQHMY-UHFFFAOYSA-N -1 1 282.263 1.058 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCc2ncccc21 ZINC001593369908 1174071377 /nfs/dbraw/zinc/07/13/77/1174071377.db2.gz QXHGOYSTEAQHMY-UHFFFAOYSA-N -1 1 282.263 1.058 20 0 CDADMM O[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001593502889 1174089920 /nfs/dbraw/zinc/08/99/20/1174089920.db2.gz UNGKUBSUDCSZNY-GFCCVEGCSA-N -1 1 297.322 1.192 20 0 CDADMM O[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001593502889 1174089927 /nfs/dbraw/zinc/08/99/27/1174089927.db2.gz UNGKUBSUDCSZNY-GFCCVEGCSA-N -1 1 297.322 1.192 20 0 CDADMM Oc1ccc2c(c1)CN(Cc1ccc(-c3nnn[n-]3)o1)C2 ZINC001593540640 1174113264 /nfs/dbraw/zinc/11/32/64/1174113264.db2.gz ZAZJFGWUGITGFR-UHFFFAOYSA-N -1 1 283.291 1.681 20 0 CDADMM Oc1ccc2c(c1)CN(Cc1ccc(-c3nn[n-]n3)o1)C2 ZINC001593540640 1174113271 /nfs/dbraw/zinc/11/32/71/1174113271.db2.gz ZAZJFGWUGITGFR-UHFFFAOYSA-N -1 1 283.291 1.681 20 0 CDADMM c1c(-c2nnn[n-]2)nc(C2CC2)nc1N1CC2(CC2)C1 ZINC001593543961 1174114287 /nfs/dbraw/zinc/11/42/87/1174114287.db2.gz LZAILMNWIKLRGT-UHFFFAOYSA-N -1 1 269.312 1.134 20 0 CDADMM c1c(-c2nn[n-]n2)nc(C2CC2)nc1N1CC2(CC2)C1 ZINC001593543961 1174114290 /nfs/dbraw/zinc/11/42/90/1174114290.db2.gz LZAILMNWIKLRGT-UHFFFAOYSA-N -1 1 269.312 1.134 20 0 CDADMM c1cc(Cc2noc(-c3ccc(-c4nn[n-]n4)o3)n2)no1 ZINC001593557026 1174132012 /nfs/dbraw/zinc/13/20/12/1174132012.db2.gz CLBONFIIZKYGJQ-UHFFFAOYSA-N -1 1 285.223 1.089 20 0 CDADMM c1cc(NC2CCCCCC2)nc(-c2nn[n-]n2)n1 ZINC001593558699 1174133377 /nfs/dbraw/zinc/13/33/77/1174133377.db2.gz PEKBVRDUFWJHQL-UHFFFAOYSA-N -1 1 259.317 1.213 20 0 CDADMM c1cc(Nc2cncc(-c3nnn[n-]3)n2)cc2c1COC2 ZINC001593565777 1174141484 /nfs/dbraw/zinc/14/14/84/1174141484.db2.gz XCYLCHPLTKZPSG-UHFFFAOYSA-N -1 1 281.279 1.431 20 0 CDADMM c1cc(Nc2cncc(-c3nn[n-]n3)n2)cc2c1COC2 ZINC001593565777 1174141490 /nfs/dbraw/zinc/14/14/90/1174141490.db2.gz XCYLCHPLTKZPSG-UHFFFAOYSA-N -1 1 281.279 1.431 20 0 CDADMM c1ccc2c(c1)CN(c1cnc(-c3nnn[n-]3)cn1)CCN2 ZINC001593580932 1174146907 /nfs/dbraw/zinc/14/69/07/1174146907.db2.gz VZAMIIQEXRUUAL-UHFFFAOYSA-N -1 1 294.322 1.089 20 0 CDADMM c1ccc2c(c1)CN(c1cnc(-c3nn[n-]n3)cn1)CCN2 ZINC001593580932 1174146911 /nfs/dbraw/zinc/14/69/11/1174146911.db2.gz VZAMIIQEXRUUAL-UHFFFAOYSA-N -1 1 294.322 1.089 20 0 CDADMM c1cnc(N2CC[C@@H]3CCCC[C@H]3C2)c(-c2nnn[n-]2)n1 ZINC001593583530 1174151196 /nfs/dbraw/zinc/15/11/96/1174151196.db2.gz ICYHJQSCBKZFJW-QWRGUYRKSA-N -1 1 285.355 1.673 20 0 CDADMM c1cnc(N2CC[C@@H]3CCCC[C@H]3C2)c(-c2nn[n-]n2)n1 ZINC001593583530 1174151199 /nfs/dbraw/zinc/15/11/99/1174151199.db2.gz ICYHJQSCBKZFJW-QWRGUYRKSA-N -1 1 285.355 1.673 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC001593590363 1174158004 /nfs/dbraw/zinc/15/80/04/1174158004.db2.gz PITSLIMLGDSOFB-MWLCHTKSSA-N -1 1 287.327 1.026 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC001593590363 1174158006 /nfs/dbraw/zinc/15/80/06/1174158006.db2.gz PITSLIMLGDSOFB-MWLCHTKSSA-N -1 1 287.327 1.026 20 0 CDADMM c1nc(SCC2CCCC2)cc(-c2nnn[n-]2)n1 ZINC001593591290 1174159389 /nfs/dbraw/zinc/15/93/89/1174159389.db2.gz KUGKZHFPYTYHIG-UHFFFAOYSA-N -1 1 262.342 1.939 20 0 CDADMM c1nc(SCC2CCCC2)cc(-c2nn[n-]n2)n1 ZINC001593591290 1174159394 /nfs/dbraw/zinc/15/93/94/1174159394.db2.gz KUGKZHFPYTYHIG-UHFFFAOYSA-N -1 1 262.342 1.939 20 0 CDADMM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(Cl)c(O)c1 ZINC001595167926 1174196990 /nfs/dbraw/zinc/19/69/90/1174196990.db2.gz QSYQGAYXSHERAE-VIFPVBQESA-N -1 1 269.684 1.735 20 0 CDADMM CC(C)[C@H]1C(=O)NCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000094105212 1174459516 /nfs/dbraw/zinc/45/95/16/1174459516.db2.gz XXDZJHWILYAHAW-LBPRGKRZSA-N -1 1 296.754 1.642 20 0 CDADMM Cc1ccc(CN(C)[C@@H]2CCN(CCC(=O)[O-])C2=O)s1 ZINC001600410142 1174465993 /nfs/dbraw/zinc/46/59/93/1174465993.db2.gz SVTOUGGWQNXWLK-GFCCVEGCSA-N -1 1 296.392 1.564 20 0 CDADMM Cc1ccc(CN[C@H]2CCCn3nc(C(=O)[O-])cc32)cn1 ZINC001600418502 1174468891 /nfs/dbraw/zinc/46/88/91/1174468891.db2.gz INEDBOXYZHRKKJ-LBPRGKRZSA-N -1 1 286.335 1.909 20 0 CDADMM Cc1ccccc1[C@@H](C)C(=O)N1CCN(CC(=O)[O-])CC1 ZINC001600565468 1174507604 /nfs/dbraw/zinc/50/76/04/1174507604.db2.gz DQTGDUOKBUBSPM-CYBMUJFWSA-N -1 1 290.363 1.327 20 0 CDADMM Cc1cnc(CN[C@@H](CC(=O)[O-])C(C)(C)C)nc1 ZINC001600621163 1174534036 /nfs/dbraw/zinc/53/40/36/1174534036.db2.gz KHCFOQYTTDVCES-JTQLQIEISA-N -1 1 251.330 1.764 20 0 CDADMM Cc1nc([C@@H](C)NCc2csc(C(=O)[O-])c2)n[nH]1 ZINC001600792312 1174611701 /nfs/dbraw/zinc/61/17/01/1174611701.db2.gz KECLIKGMLUOSHF-ZCFIWIBFSA-N -1 1 266.326 1.724 20 0 CDADMM Cc1nnccc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001600802067 1174618139 /nfs/dbraw/zinc/61/81/39/1174618139.db2.gz JWDFXAAGCLIHII-UHFFFAOYSA-N -1 1 297.274 1.612 20 0 CDADMM Cc1nnsc1CN[C@H](CC(F)(F)F)C(=O)[O-] ZINC001600802935 1174618789 /nfs/dbraw/zinc/61/87/89/1174618789.db2.gz PUCJBKJRYKABOZ-RXMQYKEDSA-N -1 1 269.248 1.342 20 0 CDADMM C[C@H]1CN(c2ccnc(-c3nnn[n-]3)c2)C[C@H](C)S1 ZINC000103598180 1174681327 /nfs/dbraw/zinc/68/13/27/1174681327.db2.gz VYWHZXWHUWGLSP-IUCAKERBSA-N -1 1 276.369 1.592 20 0 CDADMM C[C@H]1CN(c2ccnc(-c3nn[n-]n3)c2)C[C@H](C)S1 ZINC000103598180 1174681330 /nfs/dbraw/zinc/68/13/30/1174681330.db2.gz VYWHZXWHUWGLSP-IUCAKERBSA-N -1 1 276.369 1.592 20 0 CDADMM Cn1ncc(CN2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)n1 ZINC001601026195 1174707604 /nfs/dbraw/zinc/70/76/04/1174707604.db2.gz KOKQRFGBBOMJNT-ZIAGYGMSSA-N -1 1 286.335 1.115 20 0 CDADMM NC(=O)C[C@@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccccc1 ZINC001601153817 1174765743 /nfs/dbraw/zinc/76/57/43/1174765743.db2.gz AKTLGHBJGPDDCX-GFCCVEGCSA-N -1 1 287.319 1.419 20 0 CDADMM NC1(c2noc(-c3cncc(C(=O)[O-])c3)n2)CCCC1 ZINC001601175601 1174771969 /nfs/dbraw/zinc/77/19/69/1174771969.db2.gz CSMNHZVSJGFLCQ-UHFFFAOYSA-N -1 1 274.280 1.558 20 0 CDADMM O=C([O-])c1ccc(F)c(NC(=O)CCN2CC[C@H](F)C2)c1 ZINC001601274494 1174821163 /nfs/dbraw/zinc/82/11/63/1174821163.db2.gz HGCFHUNUIFMICZ-JTQLQIEISA-N -1 1 298.289 1.896 20 0 CDADMM O=C([O-])c1ccc(CCC(=O)OCCN2CCC2)cc1 ZINC001601287982 1174824906 /nfs/dbraw/zinc/82/49/06/1174824906.db2.gz LWNLGBQLNRMUAH-UHFFFAOYSA-N -1 1 277.320 1.566 20 0 CDADMM O=C(CN1CC[C@@H]2C[C@@H]2C1)NC1(C(=O)[O-])CCCCC1 ZINC001601308695 1174831064 /nfs/dbraw/zinc/83/10/64/1174831064.db2.gz OIGWTHOXMCEEKK-VXGBXAGGSA-N -1 1 280.368 1.232 20 0 CDADMM O=C([O-])[C@H](NCC(=O)NC1CCCC1)C1CCCCC1 ZINC001601325465 1174833756 /nfs/dbraw/zinc/83/37/56/1174833756.db2.gz OWERVHKDZCNRQF-CQSZACIVSA-N -1 1 282.384 1.668 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2ccc3nc[nH]c3c2)c[nH]1 ZINC001601613787 1174912317 /nfs/dbraw/zinc/91/23/17/1174912317.db2.gz HKUUETHYEXRBPN-UHFFFAOYSA-N -1 1 270.248 1.842 20 0 CDADMM O=C([O-])c1c[nH]c2cc(NC(=O)Nc3c[nH]nn3)ccc12 ZINC001601612125 1174912639 /nfs/dbraw/zinc/91/26/39/1174912639.db2.gz SIZDNTNMMYQCST-UHFFFAOYSA-N -1 1 286.251 1.628 20 0 CDADMM O=C([O-])[C@H](CC(F)F)NCc1cc(F)ncc1F ZINC001601639578 1174921747 /nfs/dbraw/zinc/92/17/47/1174921747.db2.gz WSJSEWBALHJKKM-ZETCQYMHSA-N -1 1 266.194 1.558 20 0 CDADMM O=C([O-])[C@@H](c1cccnc1)N1CCN(C2CCC2)CC1 ZINC001601698546 1174950927 /nfs/dbraw/zinc/95/09/27/1174950927.db2.gz LPIGCLNLWULEPE-CQSZACIVSA-N -1 1 275.352 1.377 20 0 CDADMM O=C([O-])[C@@]1(C(=O)NCCN2CCC2)C[C@H]1c1ccccc1 ZINC001601700876 1174955415 /nfs/dbraw/zinc/95/54/15/1174955415.db2.gz OGTKAVCVSIICBY-BBRMVZONSA-N -1 1 288.347 1.067 20 0 CDADMM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CN(CC2CC3(CCC3)C2)C1 ZINC001601781333 1175003493 /nfs/dbraw/zinc/00/34/93/1175003493.db2.gz RLRJZWIBEXPDPT-STQMWFEESA-N -1 1 292.379 1.088 20 0 CDADMM O=C([O-])C[C@H]1CCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC001601955167 1175085209 /nfs/dbraw/zinc/08/52/09/1175085209.db2.gz OKJMHOAWHVZWSI-SNVBAGLBSA-N -1 1 255.314 1.571 20 0 CDADMM O=C([O-])CCN1CC[C@@H](N2CCc3ccccc3C2)C1=O ZINC001602016725 1175112291 /nfs/dbraw/zinc/11/22/91/1175112291.db2.gz PCYCVUSCEAPVFZ-CQSZACIVSA-N -1 1 288.347 1.120 20 0 CDADMM O=C([O-])[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1c1ccccc1 ZINC001602182179 1175155047 /nfs/dbraw/zinc/15/50/47/1175155047.db2.gz WMPUZACGDLXHRC-ZIAGYGMSSA-N -1 1 299.330 1.279 20 0 CDADMM O=C([O-])[C@]12C[C@H]1CCC[N@H+]2Cc1cncc(F)c1 ZINC001602222543 1175173620 /nfs/dbraw/zinc/17/36/20/1175173620.db2.gz AVQRFPGDHFXNHP-MFKMUULPSA-N -1 1 250.273 1.660 20 0 CDADMM O=C([O-])[C@]12C[C@H]1CCCN2Cc1cncc(F)c1 ZINC001602222543 1175173622 /nfs/dbraw/zinc/17/36/22/1175173622.db2.gz AVQRFPGDHFXNHP-MFKMUULPSA-N -1 1 250.273 1.660 20 0 CDADMM O=C([O-])c1cc(CNCc2cccc3c2OCO3)c[nH]1 ZINC001602260872 1175188712 /nfs/dbraw/zinc/18/87/12/1175188712.db2.gz CRDHIFKUKVHQIU-UHFFFAOYSA-N -1 1 274.276 1.731 20 0 CDADMM O=C([O-])c1ccc(CN2CC([C@@H]3CCOC3)C2)c(F)c1 ZINC001602335662 1175210381 /nfs/dbraw/zinc/21/03/81/1175210381.db2.gz OOIVKFNHBSZEET-GFCCVEGCSA-N -1 1 279.311 1.992 20 0 CDADMM O=C([O-])c1ccc(CN[C@@]2(CO)CCc3ccccc32)nc1 ZINC001602344482 1175216578 /nfs/dbraw/zinc/21/65/78/1175216578.db2.gz JICPOWZTIFRBNL-QGZVFWFLSA-N -1 1 298.342 1.703 20 0 CDADMM O=C([O-])c1cccc(CN2C[C@H]3C[C@@]3(O)C2)c1Cl ZINC001602436570 1175240163 /nfs/dbraw/zinc/24/01/63/1175240163.db2.gz HDOSGATWACEUNJ-NOZJJQNGSA-N -1 1 267.712 1.605 20 0 CDADMM O=C([O-])c1nc(CNCc2ccc(=O)[nH]c2)ccc1Cl ZINC001602568889 1175301152 /nfs/dbraw/zinc/30/11/52/1175301152.db2.gz KDPQSQZKALIFJZ-UHFFFAOYSA-N -1 1 293.710 1.824 20 0 CDADMM O=C([O-])c1occc1CNC(=O)c1cccc2nc[nH]c21 ZINC001602589699 1175310573 /nfs/dbraw/zinc/31/05/73/1175310573.db2.gz IZXDDPGSIISSSC-UHFFFAOYSA-N -1 1 285.259 1.784 20 0 CDADMM O=C([O-])c1occc1CNC(=O)c1n[nH]c2ccccc21 ZINC001602589948 1175311972 /nfs/dbraw/zinc/31/19/72/1175311972.db2.gz PQWQPYYPNXRSDZ-UHFFFAOYSA-N -1 1 285.259 1.784 20 0 CDADMM O=C([O-])c1sccc1CNCc1cnn(CCF)c1 ZINC001602596926 1175315015 /nfs/dbraw/zinc/31/50/15/1175315015.db2.gz LAIPOSJJVNYKAW-UHFFFAOYSA-N -1 1 283.328 1.902 20 0 CDADMM C(=Cc1cnc(-c2nnn[n-]2)cn1)c1cn(C2CCC2)nn1 ZINC001602745480 1175382054 /nfs/dbraw/zinc/38/20/54/1175382054.db2.gz HKCUDKVRRSFYAX-PLNGDYQASA-N -1 1 295.310 1.144 20 0 CDADMM C(=Cc1cnc(-c2nn[n-]n2)cn1)c1cn(C2CCC2)nn1 ZINC001602745480 1175382057 /nfs/dbraw/zinc/38/20/57/1175382057.db2.gz HKCUDKVRRSFYAX-PLNGDYQASA-N -1 1 295.310 1.144 20 0 CDADMM C/C(=C\C[N@H+](C)Cc1nc(=O)c2sccc2[n-]1)C(=O)[O-] ZINC001602962985 1175462486 /nfs/dbraw/zinc/46/24/86/1175462486.db2.gz RSSHYODHKBUANR-FPYGCLRLSA-N -1 1 293.348 1.860 20 0 CDADMM CC(=O)CCN1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC001603001282 1175476038 /nfs/dbraw/zinc/47/60/38/1175476038.db2.gz SZPPFRWDVNQLQG-LBPRGKRZSA-N -1 1 290.363 1.874 20 0 CDADMM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC001603027987 1175477999 /nfs/dbraw/zinc/47/79/99/1175477999.db2.gz LWNWLEKILJGAOW-WCBMZHEXSA-N -1 1 288.311 1.015 20 0 CDADMM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001603027987 1175478003 /nfs/dbraw/zinc/47/80/03/1175478003.db2.gz LWNWLEKILJGAOW-WCBMZHEXSA-N -1 1 288.311 1.015 20 0 CDADMM CC(C)(C)CCCn1cc(-c2nn[n-]n2)ccc1=O ZINC001603075044 1175486164 /nfs/dbraw/zinc/48/61/64/1175486164.db2.gz UTZPZMVGFLTOCR-UHFFFAOYSA-N -1 1 261.329 1.855 20 0 CDADMM CC(=O)OC1CCN(Cc2cc(C)c(C(=O)[O-])o2)CC1 ZINC001603086383 1175489424 /nfs/dbraw/zinc/48/94/24/1175489424.db2.gz KFBVHMHLEDLVOZ-UHFFFAOYSA-N -1 1 281.308 1.814 20 0 CDADMM CC(C)(CNc1ccnc(-c2nn[n-]n2)n1)CC(F)F ZINC001603151437 1175501779 /nfs/dbraw/zinc/50/17/79/1175501779.db2.gz NNRADRDNBDMODI-UHFFFAOYSA-N -1 1 283.286 1.172 20 0 CDADMM C[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001603221213 1175518288 /nfs/dbraw/zinc/51/82/88/1175518288.db2.gz NTGHCOKDGMHLQO-IVZWLZJFSA-N -1 1 257.330 1.512 20 0 CDADMM CC(C)CC(=O)OCOc1cccc(F)c1-c1nnn[n-]1 ZINC001603257101 1175529062 /nfs/dbraw/zinc/52/90/62/1175529062.db2.gz XQVLTSAMTQSAKC-UHFFFAOYSA-N -1 1 294.286 1.931 20 0 CDADMM CC(C)CC(=O)OCOc1cccc(F)c1-c1nn[n-]n1 ZINC001603257101 1175529067 /nfs/dbraw/zinc/52/90/67/1175529067.db2.gz XQVLTSAMTQSAKC-UHFFFAOYSA-N -1 1 294.286 1.931 20 0 CDADMM CC(C)CCC(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001603270175 1175530137 /nfs/dbraw/zinc/53/01/37/1175530137.db2.gz DKAYNWMAGAFSIE-UHFFFAOYSA-N -1 1 264.285 1.939 20 0 CDADMM CC(C)CCC(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001603270175 1175530141 /nfs/dbraw/zinc/53/01/41/1175530141.db2.gz DKAYNWMAGAFSIE-UHFFFAOYSA-N -1 1 264.285 1.939 20 0 CDADMM CC(C)(C)C[C@H](NC(=O)[C@H]1CCN1C(C)(C)C)C(=O)[O-] ZINC001603326275 1175540219 /nfs/dbraw/zinc/54/02/19/1175540219.db2.gz APQZWKLXMVUGMB-WDEREUQCSA-N -1 1 284.400 1.865 20 0 CDADMM CC(C)OC(=O)CSc1ccnc(-c2nnn[n-]2)c1 ZINC001603343442 1175545328 /nfs/dbraw/zinc/54/53/28/1175545328.db2.gz MHIDWNOXDIJMGK-UHFFFAOYSA-N -1 1 279.325 1.305 20 0 CDADMM CC(C)OC(=O)CSc1ccnc(-c2nn[n-]n2)c1 ZINC001603343442 1175545333 /nfs/dbraw/zinc/54/53/33/1175545333.db2.gz MHIDWNOXDIJMGK-UHFFFAOYSA-N -1 1 279.325 1.305 20 0 CDADMM CC1(C)C[C@@H](CNc2cc(-c3nnn[n-]3)ncn2)CCO1 ZINC001603762974 1175621306 /nfs/dbraw/zinc/62/13/06/1175621306.db2.gz RIKVQNWHKVRSAD-VIFPVBQESA-N -1 1 289.343 1.274 20 0 CDADMM CC1(C)C[C@@H](CNc2cc(-c3nn[n-]n3)ncn2)CCO1 ZINC001603762974 1175621313 /nfs/dbraw/zinc/62/13/13/1175621313.db2.gz RIKVQNWHKVRSAD-VIFPVBQESA-N -1 1 289.343 1.274 20 0 CDADMM CC1(C)CC[C@@H](CNc2ccnc(-c3nnn[n-]3)c2)O1 ZINC001603773292 1175627188 /nfs/dbraw/zinc/62/71/88/1175627188.db2.gz YCAZEUAIPVTGGZ-JTQLQIEISA-N -1 1 274.328 1.053 20 0 CDADMM CC1(C)CC[C@@H](CNc2ccnc(-c3nn[n-]n3)c2)O1 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ZINC000735521180 575483349 /nfs/dbraw/zinc/48/33/49/575483349.db2.gz SUDUFNDGGXLSSF-SECBINFHSA-N -1 1 291.380 1.771 20 0 CDADMM C[C@H]1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC000736273966 575610054 /nfs/dbraw/zinc/61/00/54/575610054.db2.gz TXCKNURWRJKSEN-UWVGGRQHSA-N -1 1 273.344 1.895 20 0 CDADMM C[C@H]1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC000736273966 575610055 /nfs/dbraw/zinc/61/00/55/575610055.db2.gz TXCKNURWRJKSEN-UWVGGRQHSA-N -1 1 273.344 1.895 20 0 CDADMM CC[C@@H](CC1CCCC1)C(=O)OCc1nn[n-]n1 ZINC000736348369 575631438 /nfs/dbraw/zinc/63/14/38/575631438.db2.gz AFNYORIGDJCKOH-JTQLQIEISA-N -1 1 252.318 1.849 20 0 CDADMM CC(C)[C@H]1CC(=O)N(CN2CCCC[C@H]2CC(=O)[O-])C1 ZINC000736389420 575646316 /nfs/dbraw/zinc/64/63/16/575646316.db2.gz CFWIMHKJYIXXMO-STQMWFEESA-N -1 1 282.384 1.778 20 0 CDADMM CC[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@@H](C)O1 ZINC000736404777 575650160 /nfs/dbraw/zinc/65/01/60/575650160.db2.gz AVVGOOKLCNQEAM-ZJUUUORDSA-N -1 1 274.328 1.265 20 0 CDADMM CC[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@@H](C)O1 ZINC000736404777 575650163 /nfs/dbraw/zinc/65/01/63/575650163.db2.gz AVVGOOKLCNQEAM-ZJUUUORDSA-N -1 1 274.328 1.265 20 0 CDADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN(C[C@H](C)O)CC1 ZINC000736678644 575718202 /nfs/dbraw/zinc/71/82/02/575718202.db2.gz XJCXXBBLZWXNQS-WDEREUQCSA-N -1 1 282.340 1.037 20 0 CDADMM CCc1nc(Cn2cccc(-c3nn[n-]n3)c2=O)cs1 ZINC000736704313 575725560 /nfs/dbraw/zinc/72/55/60/575725560.db2.gz LUWPXQFJJLSIDT-UHFFFAOYSA-N -1 1 288.336 1.096 20 0 CDADMM CCc1nn(CC(C)C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706104 575726020 /nfs/dbraw/zinc/72/60/20/575726020.db2.gz TUVQCPTUNSWDEX-UHFFFAOYSA-N -1 1 276.344 1.204 20 0 CDADMM C[C@@H](Sc1nc(-c2cccnc2)n[nH]1)C(=O)[O-] ZINC000736717088 575727129 /nfs/dbraw/zinc/72/71/29/575727129.db2.gz OCNVXALPFYRBFB-ZCFIWIBFSA-N -1 1 250.283 1.432 20 0 CDADMM C[C@H]1C[C@@H](c2ccccc2)CN1Cn1cc(C(=O)[O-])nn1 ZINC000736758594 575735330 /nfs/dbraw/zinc/73/53/30/575735330.db2.gz DXPZLDDOPHVIOH-WCQYABFASA-N -1 1 286.335 1.812 20 0 CDADMM CN(CC1CC1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736793243 575747901 /nfs/dbraw/zinc/74/79/01/575747901.db2.gz IFSBHWOZKBRABS-UHFFFAOYSA-N -1 1 264.720 1.761 20 0 CDADMM CN(CC1CC1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736793243 575747899 /nfs/dbraw/zinc/74/78/99/575747899.db2.gz IFSBHWOZKBRABS-UHFFFAOYSA-N -1 1 264.720 1.761 20 0 CDADMM CO[C@H](C)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000736962561 575777825 /nfs/dbraw/zinc/77/78/25/575777825.db2.gz OWSHPZZSSYEELW-RXMQYKEDSA-N -1 1 288.764 1.814 20 0 CDADMM CO[C@H](C)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000736962561 575777828 /nfs/dbraw/zinc/77/78/28/575777828.db2.gz OWSHPZZSSYEELW-RXMQYKEDSA-N -1 1 288.764 1.814 20 0 CDADMM CCCC[C@@H](C(=O)OC)N1CCC(C(=O)[O-])CC1 ZINC000736978227 575781233 /nfs/dbraw/zinc/78/12/33/575781233.db2.gz GDVJPIKEQRNKBG-NSHDSACASA-N -1 1 257.330 1.515 20 0 CDADMM O=C(C1CCCCC1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773159430 575787060 /nfs/dbraw/zinc/78/70/60/575787060.db2.gz FUBMGDJFFHXCGL-JTQLQIEISA-N -1 1 281.385 1.397 20 0 CDADMM COCCOCCCCNc1cccc(-c2nnn[n-]2)n1 ZINC000737006080 575791272 /nfs/dbraw/zinc/79/12/72/575791272.db2.gz NKHHONBRGOZTER-UHFFFAOYSA-N -1 1 292.343 1.117 20 0 CDADMM COCCOCCCCNc1cccc(-c2nn[n-]n2)n1 ZINC000737006080 575791276 /nfs/dbraw/zinc/79/12/76/575791276.db2.gz NKHHONBRGOZTER-UHFFFAOYSA-N -1 1 292.343 1.117 20 0 CDADMM O=C(C=Cc1ccco1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000773496859 575816226 /nfs/dbraw/zinc/81/62/26/575816226.db2.gz KOWPSGWTJXZXMF-ONEGZZNKSA-N -1 1 289.291 1.788 20 0 CDADMM O=C(OCCOC[C@H]1CCCO1)c1ccc([O-])cc1F ZINC000773555648 575824874 /nfs/dbraw/zinc/82/48/74/575824874.db2.gz VVQUZOGEWNIEPP-LLVKDONJSA-N -1 1 284.283 1.884 20 0 CDADMM CCOC[C@H](O)CN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000737163082 575834700 /nfs/dbraw/zinc/83/47/00/575834700.db2.gz XFMSVGLBNGONBH-SNVBAGLBSA-N -1 1 271.313 1.115 20 0 CDADMM Cc1ccc(NC(=O)c2ccc3n[n-]c(=S)n3c2)nc1 ZINC000773773367 575838599 /nfs/dbraw/zinc/83/85/99/575838599.db2.gz SPKMGVIUFKXGJY-UHFFFAOYSA-N -1 1 285.332 1.974 20 0 CDADMM Cn1ccc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)c1 ZINC000764315965 575899366 /nfs/dbraw/zinc/89/93/66/575899366.db2.gz DDKQNJZPGDNMCW-GFCCVEGCSA-N -1 1 282.307 1.058 20 0 CDADMM Cc1ccc(-c2nn[nH]n2)cc1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000737290641 575935339 /nfs/dbraw/zinc/93/53/39/575935339.db2.gz DYRYGYCXTREZOU-LBPRGKRZSA-N -1 1 286.339 1.208 20 0 CDADMM Cc1ccc(-c2nn[nH]n2)cc1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000737290641 575935341 /nfs/dbraw/zinc/93/53/41/575935341.db2.gz DYRYGYCXTREZOU-LBPRGKRZSA-N -1 1 286.339 1.208 20 0 CDADMM CN(CCCC(=O)N1CCN(C2CCC2)CC1)C(=O)[O-] ZINC000737418315 575959585 /nfs/dbraw/zinc/95/95/85/575959585.db2.gz OKBBEFJUIRATHW-UHFFFAOYSA-N -1 1 283.372 1.073 20 0 CDADMM CN(Cc1ccc(NC(=O)[C@H]2CCCN2C)cc1)C(=O)[O-] ZINC000737477057 575972995 /nfs/dbraw/zinc/97/29/95/575972995.db2.gz FXSRXJDQUUFLNP-CYBMUJFWSA-N -1 1 291.351 1.829 20 0 CDADMM Cc1ccc([C@H](C)C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)o1 ZINC000765111049 575987873 /nfs/dbraw/zinc/98/78/73/575987873.db2.gz VZAJBNVFFNLMEX-WDEREUQCSA-N -1 1 289.339 1.611 20 0 CDADMM CC(C)c1ccc(C(=O)OCc2nc(=O)n(C)[n-]2)cc1 ZINC000765393444 576015672 /nfs/dbraw/zinc/01/56/72/576015672.db2.gz RAAAKSWNQIEGLE-UHFFFAOYSA-N -1 1 275.308 1.589 20 0 CDADMM Cc1cc(C)c(C(=O)OCc2nc(=O)n(C)[n-]2)c(C)c1 ZINC000765410934 576018398 /nfs/dbraw/zinc/01/83/98/576018398.db2.gz SSXNEMLKMCEQPS-UHFFFAOYSA-N -1 1 275.308 1.391 20 0 CDADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)c1nncn1C ZINC000765429978 576021369 /nfs/dbraw/zinc/02/13/69/576021369.db2.gz GJDUSOQXVHHTNO-ZETCQYMHSA-N -1 1 280.715 1.665 20 0 CDADMM CC=C(C=CC(=O)N1CCO[C@H](c2nn[n-]n2)C1)CC ZINC000765450164 576023924 /nfs/dbraw/zinc/02/39/24/576023924.db2.gz MLAGFPRZGKYZDM-LRWZEDIVSA-N -1 1 277.328 1.012 20 0 CDADMM Cc1ccc(Cl)c(N)c1C(=O)OCc1nn(C)c(=O)[n-]1 ZINC000765492907 576029976 /nfs/dbraw/zinc/02/99/76/576029976.db2.gz ALTCFCQTZPAFSS-UHFFFAOYSA-N -1 1 296.714 1.009 20 0 CDADMM Cn1[n-]c(COC(=O)Cc2ccc(F)cc2Cl)nc1=O ZINC000765492896 576030124 /nfs/dbraw/zinc/03/01/24/576030124.db2.gz ABSZEISPIBDLLW-UHFFFAOYSA-N -1 1 299.689 1.187 20 0 CDADMM O=C([O-])C1CC2(C1)C[N@@H+](C[C@@H]1CC=CCC1)C[C@H]2C(=O)[O-] ZINC001601780500 1175004431 /nfs/dbraw/zinc/00/44/31/1175004431.db2.gz JNNDKSDFMNYJNC-ZMDMRTEPSA-N -1 1 293.363 1.840 20 0 CDADMM Cc1cccc(C(=O)OCc2nc(=O)n(C)[n-]2)c1Cl ZINC000765503037 576032038 /nfs/dbraw/zinc/03/20/38/576032038.db2.gz PYYLQYOPSUFDHB-UHFFFAOYSA-N -1 1 281.699 1.427 20 0 CDADMM O=C(OCc1ccoc1)c1sccc1-c1nn[n-]n1 ZINC000738234644 576051927 /nfs/dbraw/zinc/05/19/27/576051927.db2.gz KPTXDQDRRVSZSR-UHFFFAOYSA-N -1 1 276.277 1.878 20 0 CDADMM O=C([O-])c1ccc(NC(=O)CN2CC[C@H](CCO)C2)cc1 ZINC000738458892 576077862 /nfs/dbraw/zinc/07/78/62/576077862.db2.gz DVERQJAKDWIXPJ-LLVKDONJSA-N -1 1 292.335 1.028 20 0 CDADMM CC(C)N1C[C@@H](NC(=O)c2c([O-])cccc2Cl)CC1=O ZINC000738527320 576086599 /nfs/dbraw/zinc/08/65/99/576086599.db2.gz XONMUQLOHFFXIK-VIFPVBQESA-N -1 1 296.754 1.785 20 0 CDADMM CN(C(=O)c1c([O-])cccc1Cl)[C@H]1CCN(C)C1=O ZINC000738548231 576087296 /nfs/dbraw/zinc/08/72/96/576087296.db2.gz KAYQMUZTJYXIIL-VIFPVBQESA-N -1 1 282.727 1.348 20 0 CDADMM Cc1cccn2cc(CC(=O)[N-]OCC(F)(F)F)nc12 ZINC000766757355 576132540 /nfs/dbraw/zinc/13/25/40/576132540.db2.gz GURJYQABBOPKMR-UHFFFAOYSA-N -1 1 287.241 1.795 20 0 CDADMM Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N(C)C[C@H](C)C(=O)[O-] ZINC000738912061 576134539 /nfs/dbraw/zinc/13/45/39/576134539.db2.gz SSWTYMFXRYSXTB-GZMMTYOYSA-N -1 1 296.371 1.016 20 0 CDADMM Cn1cccc1C(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000739044069 576153715 /nfs/dbraw/zinc/15/37/15/576153715.db2.gz XZJTYNIMFRCPEA-NSHDSACASA-N -1 1 276.336 1.395 20 0 CDADMM Cc1nc(SC[C@@H]2CC3(CC3)C(=O)O2)[n-]c(=O)c1C ZINC000762968158 576697530 /nfs/dbraw/zinc/69/75/30/576697530.db2.gz BBDGMWZMXAKJSK-VIFPVBQESA-N -1 1 280.349 1.987 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1nccn1C ZINC000747219786 576863206 /nfs/dbraw/zinc/86/32/06/576863206.db2.gz AJPDAWLAISTIKN-UHFFFAOYSA-N -1 1 289.339 1.278 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1cocn1 ZINC000747384834 576867979 /nfs/dbraw/zinc/86/79/79/576867979.db2.gz ZUASAOXOGAAHNG-UHFFFAOYSA-N -1 1 276.296 1.532 20 0 CDADMM COC(=O)C[C@H](NC(=O)c1cc(F)ccc1[O-])C1CC1 ZINC000754038496 576874957 /nfs/dbraw/zinc/87/49/57/576874957.db2.gz OTJCAARCOAGOPB-NSHDSACASA-N -1 1 281.283 1.603 20 0 CDADMM Cn1[n-]c(CN2CCC[C@H]2c2ccc(F)c(F)c2)nc1=O ZINC000754043909 576875078 /nfs/dbraw/zinc/87/50/78/576875078.db2.gz RDVYYVALCBAXJS-LBPRGKRZSA-N -1 1 294.305 1.724 20 0 CDADMM COCC[C@H](C)Sc1nc([O-])cc(=O)n1CCOC ZINC000755941006 576970037 /nfs/dbraw/zinc/97/00/37/576970037.db2.gz RIQQNGYVORWWCA-VIFPVBQESA-N -1 1 288.369 1.112 20 0 CDADMM COCc1noc([C@@H](C)OC(=O)c2ccc([O-])cc2F)n1 ZINC000751569061 577051050 /nfs/dbraw/zinc/05/10/50/577051050.db2.gz PHBVDSODUCFNSD-SSDOTTSWSA-N -1 1 296.254 1.979 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@@H](c2nc([C@@H]3CCCN3)no2)C1 ZINC001601805569 1175015479 /nfs/dbraw/zinc/01/54/79/1175015479.db2.gz RWLYIAJOTABQBN-BBBLOLIVSA-N -1 1 265.313 1.853 20 0 CDADMM O=C([O-])CC[C@H]1CCCN(Cc2cc3n(n2)CCC3)C1 ZINC001601976605 1175094400 /nfs/dbraw/zinc/09/44/00/1175094400.db2.gz NRPMYNOMXPJKGA-GFCCVEGCSA-N -1 1 277.368 1.906 20 0 CDADMM c1ccc(CCNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000095168571 599392874 /nfs/dbraw/zinc/39/28/74/599392874.db2.gz SYEVCZJVFXOGNR-UHFFFAOYSA-N -1 1 266.308 1.916 20 0 CDADMM c1ccc(CCNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000095168571 599392877 /nfs/dbraw/zinc/39/28/77/599392877.db2.gz SYEVCZJVFXOGNR-UHFFFAOYSA-N -1 1 266.308 1.916 20 0 CDADMM COCCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000095190703 598932861 /nfs/dbraw/zinc/93/28/61/598932861.db2.gz OKMIIQQVVMGCEQ-UHFFFAOYSA-N -1 1 285.311 1.258 20 0 CDADMM COCCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000095190703 598932863 /nfs/dbraw/zinc/93/28/63/598932863.db2.gz OKMIIQQVVMGCEQ-UHFFFAOYSA-N -1 1 285.311 1.258 20 0 CDADMM C[C@@H](CO)[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000095154905 598971905 /nfs/dbraw/zinc/97/19/05/598971905.db2.gz 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ZINC000823149635 606486242 /nfs/dbraw/zinc/48/62/42/606486242.db2.gz DXFWYIOHQPRCPZ-UHFFFAOYSA-N -1 1 277.353 1.991 20 0 CDADMM O=C(NC1CCCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823149635 606486243 /nfs/dbraw/zinc/48/62/43/606486243.db2.gz DXFWYIOHQPRCPZ-UHFFFAOYSA-N -1 1 277.353 1.991 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H]1CCCO1 ZINC000820391449 606506213 /nfs/dbraw/zinc/50/62/13/606506213.db2.gz QAIGKSOABMBRTQ-YUMQZZPRSA-N -1 1 293.352 1.226 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H]1CCCO1 ZINC000820391449 606506214 /nfs/dbraw/zinc/50/62/14/606506214.db2.gz QAIGKSOABMBRTQ-YUMQZZPRSA-N -1 1 293.352 1.226 20 0 CDADMM C[C@H](CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccccc1 ZINC000820225202 606531669 /nfs/dbraw/zinc/53/16/69/606531669.db2.gz DAIMSZXNESVKRI-SECBINFHSA-N -1 1 297.322 1.722 20 0 CDADMM C[C@H](CC(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccccc1 ZINC000820225202 606531670 /nfs/dbraw/zinc/53/16/70/606531670.db2.gz DAIMSZXNESVKRI-SECBINFHSA-N -1 1 297.322 1.722 20 0 CDADMM C[C@H](O)C[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820475212 606569162 /nfs/dbraw/zinc/56/91/62/606569162.db2.gz ZGAQGJXLOHYWHO-YUMQZZPRSA-N -1 1 295.368 1.065 20 0 CDADMM C[C@H](O)C[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820475212 606569163 /nfs/dbraw/zinc/56/91/63/606569163.db2.gz ZGAQGJXLOHYWHO-YUMQZZPRSA-N -1 1 295.368 1.065 20 0 CDADMM CC(C)CCCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820072912 606595741 /nfs/dbraw/zinc/59/57/41/606595741.db2.gz NKEMMDVNWLDFQY-UHFFFAOYSA-N -1 1 292.347 1.158 20 0 CDADMM CC(C)CCCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820072912 606595742 /nfs/dbraw/zinc/59/57/42/606595742.db2.gz NKEMMDVNWLDFQY-UHFFFAOYSA-N -1 1 292.347 1.158 20 0 CDADMM Fc1ccc(CNc2n[nH]cc2-c2nnn[n-]2)c(F)c1 ZINC000822771080 606627367 /nfs/dbraw/zinc/62/73/67/606627367.db2.gz ALZICKRMFGXJAF-UHFFFAOYSA-N -1 1 277.238 1.480 20 0 CDADMM Fc1ccc(CNc2n[nH]cc2-c2nn[n-]n2)c(F)c1 ZINC000822771080 606627368 /nfs/dbraw/zinc/62/73/68/606627368.db2.gz ALZICKRMFGXJAF-UHFFFAOYSA-N -1 1 277.238 1.480 20 0 CDADMM OCCNc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000823721567 606638898 /nfs/dbraw/zinc/63/88/98/606638898.db2.gz FGFYCXDVWGITJQ-UHFFFAOYSA-N -1 1 298.306 1.458 20 0 CDADMM CCCC1(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC000821034523 607117322 /nfs/dbraw/zinc/11/73/22/607117322.db2.gz OIVULXTZQIJCJI-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM CCCC1(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC000821034523 607117324 /nfs/dbraw/zinc/11/73/24/607117324.db2.gz OIVULXTZQIJCJI-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM CCN(Cc1ccccn1)c1cccc(-c2nnn[n-]2)n1 ZINC000825439579 607901856 /nfs/dbraw/zinc/90/18/56/607901856.db2.gz FWKOKRNNXBLAOJ-UHFFFAOYSA-N -1 1 281.323 1.683 20 0 CDADMM CCN(Cc1ccccn1)c1cccc(-c2nn[n-]n2)n1 ZINC000825439579 607901857 /nfs/dbraw/zinc/90/18/57/607901857.db2.gz FWKOKRNNXBLAOJ-UHFFFAOYSA-N -1 1 281.323 1.683 20 0 CDADMM FC(F)(F)CC1CN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000826367542 607902273 /nfs/dbraw/zinc/90/22/73/607902273.db2.gz CNVOVOLHGNXXQE-UHFFFAOYSA-N -1 1 284.245 1.650 20 0 CDADMM COc1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826215865 607987897 /nfs/dbraw/zinc/98/78/97/607987897.db2.gz ATJRGBORNUODBH-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM COc1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826215865 607987898 /nfs/dbraw/zinc/98/78/98/607987898.db2.gz ATJRGBORNUODBH-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM CC[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@@H]1O ZINC000825211274 608017793 /nfs/dbraw/zinc/01/77/93/608017793.db2.gz LPMKZRVDHQRFHE-APPZFPTMSA-N -1 1 294.746 1.122 20 0 CDADMM CC[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@@H]1O ZINC000825211274 608017794 /nfs/dbraw/zinc/01/77/94/608017794.db2.gz LPMKZRVDHQRFHE-APPZFPTMSA-N -1 1 294.746 1.122 20 0 CDADMM CO[C@H]1CCN(c2cc(Cl)[n-]c(=O)n2)C[C@@H]1C ZINC000858559271 617195778 /nfs/dbraw/zinc/19/57/78/617195778.db2.gz JIPPLLMELIMHCT-YUMQZZPRSA-N -1 1 257.721 1.697 20 0 CDADMM FC(F)[C@@H]1CCCN1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826370549 608045349 /nfs/dbraw/zinc/04/53/49/608045349.db2.gz YELXRKQMKIRGDV-JTQLQIEISA-N -1 1 280.282 1.491 20 0 CDADMM FC(F)[C@@H]1CCCN1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826370549 608045350 /nfs/dbraw/zinc/04/53/50/608045350.db2.gz YELXRKQMKIRGDV-JTQLQIEISA-N -1 1 280.282 1.491 20 0 CDADMM CC[C@@H](C)N(OC)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825068737 608193528 /nfs/dbraw/zinc/19/35/28/608193528.db2.gz WCVITJHZDORCAD-MRVPVSSYSA-N -1 1 276.300 1.064 20 0 CDADMM CC[C@@H](C)N(OC)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825068737 608193530 /nfs/dbraw/zinc/19/35/30/608193530.db2.gz WCVITJHZDORCAD-MRVPVSSYSA-N -1 1 276.300 1.064 20 0 CDADMM COc1ccccc1[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826218623 608390205 /nfs/dbraw/zinc/39/02/05/608390205.db2.gz HPUWYUJWIFBTDC-VIFPVBQESA-N -1 1 297.322 1.838 20 0 CDADMM COc1ccccc1[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826218623 608390206 /nfs/dbraw/zinc/39/02/06/608390206.db2.gz HPUWYUJWIFBTDC-VIFPVBQESA-N -1 1 297.322 1.838 20 0 CDADMM C[C@@H]1CCCC[C@H]1N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824936453 608394824 /nfs/dbraw/zinc/39/48/24/608394824.db2.gz HJEKHOFLJDZJFH-MWLCHTKSSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1CCCC[C@H]1N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824936453 608394826 /nfs/dbraw/zinc/39/48/26/608394826.db2.gz HJEKHOFLJDZJFH-MWLCHTKSSA-N -1 1 273.344 1.672 20 0 CDADMM c1ccc2c(c1)N(c1ccc(-c3nnn[n-]3)nn1)CC21CC1 ZINC000826523230 608422506 /nfs/dbraw/zinc/42/25/06/608422506.db2.gz FWDDLCMANGNONH-UHFFFAOYSA-N -1 1 291.318 1.840 20 0 CDADMM c1ccc2c(c1)N(c1ccc(-c3nn[n-]n3)nn1)CC21CC1 ZINC000826523230 608422508 /nfs/dbraw/zinc/42/25/08/608422508.db2.gz FWDDLCMANGNONH-UHFFFAOYSA-N -1 1 291.318 1.840 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCCCc1cnn(C)c1 ZINC000826280723 608544621 /nfs/dbraw/zinc/54/46/21/608544621.db2.gz NGPGMRIRVSIUCG-UHFFFAOYSA-N -1 1 298.354 1.348 20 0 CDADMM CC1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)OCCO1 ZINC000824832264 608552041 /nfs/dbraw/zinc/55/20/41/608552041.db2.gz TZLSJKVPYRJMNI-UHFFFAOYSA-N -1 1 296.718 1.090 20 0 CDADMM CC1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)OCCO1 ZINC000824832264 608552043 /nfs/dbraw/zinc/55/20/43/608552043.db2.gz TZLSJKVPYRJMNI-UHFFFAOYSA-N -1 1 296.718 1.090 20 0 CDADMM CN(C[C@H]1CCCC[C@H]1O)c1cccc(-c2nnn[n-]2)n1 ZINC000825907688 609324208 /nfs/dbraw/zinc/32/42/08/609324208.db2.gz BDOWOUIMBZYBQG-ZYHUDNBSSA-N -1 1 288.355 1.249 20 0 CDADMM CN(C[C@H]1CCCC[C@H]1O)c1cccc(-c2nn[n-]n2)n1 ZINC000825907688 609324210 /nfs/dbraw/zinc/32/42/10/609324210.db2.gz BDOWOUIMBZYBQG-ZYHUDNBSSA-N -1 1 288.355 1.249 20 0 CDADMM COc1ccc(C(=O)NOC/C=C\Cl)c([O-])c1 ZINC000812409428 617317209 /nfs/dbraw/zinc/31/72/09/617317209.db2.gz ZMEUXDDIFSHLDK-DJWKRKHSSA-N -1 1 257.673 1.815 20 0 CDADMM COc1c([N-]C(=O)c2nnc(C3CC3)o2)ccnc1F ZINC000890826876 617339685 /nfs/dbraw/zinc/33/96/85/617339685.db2.gz QRHGGPFNVJKRFM-UHFFFAOYSA-N -1 1 278.243 1.742 20 0 CDADMM COCc1nc(NCc2c(C)noc2C)cc(=O)[n-]1 ZINC000891999666 617398075 /nfs/dbraw/zinc/39/80/75/617398075.db2.gz GXUXEPZWVXDMNR-UHFFFAOYSA-N -1 1 264.285 1.546 20 0 CDADMM COCc1nc(NCCCOC[C@@H]2CCCO2)cc(=O)[n-]1 ZINC000891597376 617497852 /nfs/dbraw/zinc/49/78/52/617497852.db2.gz HPKJJPCHIQRRMH-NSHDSACASA-N -1 1 297.355 1.326 20 0 CDADMM COCc1nc(NCCN(C)c2ccccc2)cc(=O)[n-]1 ZINC000891611811 617503515 /nfs/dbraw/zinc/50/35/15/617503515.db2.gz WGMUWJZKTOGALJ-UHFFFAOYSA-N -1 1 288.351 1.877 20 0 CDADMM CS[C@H](C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891624846 617510854 /nfs/dbraw/zinc/51/08/54/617510854.db2.gz SIHFEPOSPRMHOA-SSDOTTSWSA-N -1 1 267.354 1.751 20 0 CDADMM COCc1nc(N(C)CCc2nccs2)cc(=O)[n-]1 ZINC000892962933 617993310 /nfs/dbraw/zinc/99/33/10/617993310.db2.gz ALSXKKQLVTXOHR-UHFFFAOYSA-N -1 1 280.353 1.464 20 0 CDADMM CCCCCCO[C@H](C)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000840595047 617616221 /nfs/dbraw/zinc/61/62/21/617616221.db2.gz HYROYDLYDHXBGT-SNVBAGLBSA-N -1 1 285.344 1.137 20 0 CDADMM COCc1nc(N2C[C@@H](C)O[C@H](C3CC3)C2)cc(=O)[n-]1 ZINC000893595180 617637085 /nfs/dbraw/zinc/63/70/85/617637085.db2.gz UPALRIJKRAZNND-KOLCDFICSA-N -1 1 279.340 1.332 20 0 CDADMM CN(C(=O)CCc1ccc(F)cc1F)c1nn[n-]n1 ZINC000892954060 617974193 /nfs/dbraw/zinc/97/41/93/617974193.db2.gz BIBMFJIQLOFRPZ-UHFFFAOYSA-N -1 1 267.239 1.074 20 0 CDADMM COc1ccc(C[C@H](C)C(=O)N(C)c2nn[n-]n2)cc1 ZINC000892954147 617975855 /nfs/dbraw/zinc/97/58/55/617975855.db2.gz DDCZEMNUAXTWBU-VIFPVBQESA-N -1 1 275.312 1.050 20 0 CDADMM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(C)c1nn[n-]n1 ZINC000892954278 617976006 /nfs/dbraw/zinc/97/60/06/617976006.db2.gz HMFBQDLBWORIRB-YUMQZZPRSA-N -1 1 263.326 1.336 20 0 CDADMM C[C@@H]1C[C@H](NC(=O)N=c2ccnc3n(C)[n-]cc2-3)CS1 ZINC000841704686 617984745 /nfs/dbraw/zinc/98/47/45/617984745.db2.gz AILHRYYHHSKAAT-BDAKNGLRSA-N -1 1 291.380 1.357 20 0 CDADMM COCc1nc(N2CC[C@H](C3CCOCC3)C2)cc(=O)[n-]1 ZINC000892981011 618016113 /nfs/dbraw/zinc/01/61/13/618016113.db2.gz OSPOIHQAHDOWNA-LBPRGKRZSA-N -1 1 293.367 1.582 20 0 CDADMM COCc1nc(NC[C@H](CO)C(C)C)cc(=O)[n-]1 ZINC000893860393 618098742 /nfs/dbraw/zinc/09/87/42/618098742.db2.gz RMJXBTIJUBLKFE-SECBINFHSA-N -1 1 255.318 1.005 20 0 CDADMM COCc1nc(N(C)CC2CCOCC2)cc(=O)[n-]1 ZINC000893067910 618118667 /nfs/dbraw/zinc/11/86/67/618118667.db2.gz MYBMEKAWLPVJJY-UHFFFAOYSA-N -1 1 267.329 1.191 20 0 CDADMM O=C([O-])[C@H]1Cc2ccccc2CN1Cc1cnc2n1CCC2 ZINC000901976921 618390321 /nfs/dbraw/zinc/39/03/21/618390321.db2.gz YUCWTGUDYJGTED-OAHLLOKOSA-N -1 1 297.358 1.841 20 0 CDADMM Cc1ncc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])n1C ZINC000901975478 618415165 /nfs/dbraw/zinc/41/51/65/618415165.db2.gz NVXDZPBVNDTYSZ-HNNXBMFYSA-N -1 1 285.347 1.740 20 0 CDADMM O=C([O-])C[C@@H]1COCCN1Cc1cccc2c1CCC2 ZINC000902001977 618447512 /nfs/dbraw/zinc/44/75/12/618447512.db2.gz KYYOBZGGFWCISO-CQSZACIVSA-N -1 1 275.348 1.851 20 0 CDADMM CC(C)[C@@H](CNC(=O)[C@H](C)Cc1cnc[nH]1)C(=O)[O-] ZINC000902025176 618465812 /nfs/dbraw/zinc/46/58/12/618465812.db2.gz XRNIUHNTEVCQLD-MWLCHTKSSA-N -1 1 267.329 1.061 20 0 CDADMM O=C([O-])CC1(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCCCC1 ZINC000902042160 618510363 /nfs/dbraw/zinc/51/03/63/618510363.db2.gz GGKJVZYJXKCPGJ-GHMZBOCLSA-N -1 1 291.351 1.807 20 0 CDADMM COCCN(C)Cc1cn(-c2ccccc2)nc1C(=O)[O-] ZINC000902099015 618580161 /nfs/dbraw/zinc/58/01/61/618580161.db2.gz WXJLEQRUWCSIMM-UHFFFAOYSA-N -1 1 289.335 1.649 20 0 CDADMM COC(=O)[C@](C)(CO)NCc1cccc([O-])c1Cl ZINC000894973150 619173066 /nfs/dbraw/zinc/17/30/66/619173066.db2.gz YJQQQZNNXANLRP-LBPRGKRZSA-N -1 1 273.716 1.059 20 0 CDADMM CCc1cc(=O)[n-]c(SCO[C@@H]2CCCOC2)n1 ZINC000882159220 619317990 /nfs/dbraw/zinc/31/79/90/619317990.db2.gz UQLMRYJGZMQRML-SNVBAGLBSA-N -1 1 270.354 1.990 20 0 CDADMM C[C@@H](CNC(=O)c1[nH]nc2c1C[C@H](C)CC2)CC(=O)[O-] ZINC000909485839 619386668 /nfs/dbraw/zinc/38/66/68/619386668.db2.gz CUITXBYKDXTULU-RKDXNWHRSA-N -1 1 279.340 1.375 20 0 CDADMM O=C([O-])C[C@H]1CCCCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000909497372 619412561 /nfs/dbraw/zinc/41/25/61/619412561.db2.gz MQFMKCUZAVEGNM-SSDOTTSWSA-N -1 1 287.266 1.817 20 0 CDADMM C[C@H](Cc1ccc(NC(=O)[C@@H](C)N(C)C)cc1)C(=O)[O-] ZINC000909521667 619673904 /nfs/dbraw/zinc/67/39/04/619673904.db2.gz WDRDSONXCXIMAV-GHMZBOCLSA-N -1 1 278.352 1.838 20 0 CDADMM C[C@@]1(NC(=O)c2[nH]nc3c2CCC3)CCCC[C@@H]1C(=O)[O-] ZINC000909538861 620256217 /nfs/dbraw/zinc/25/62/17/620256217.db2.gz UKSFMWMTRLDSFM-MEBBXXQBSA-N -1 1 291.351 1.662 20 0 CDADMM CC(C)(C)C1CCN(NC(=O)CCCc2nn[n-]n2)CC1 ZINC000897545880 620965376 /nfs/dbraw/zinc/96/53/76/620965376.db2.gz DBTMLUDWXPVDSY-UHFFFAOYSA-N -1 1 294.403 1.312 20 0 CDADMM CC(C)(O)CONC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897588168 621010859 /nfs/dbraw/zinc/01/08/59/621010859.db2.gz SGOGOINHAMTPON-UHFFFAOYSA-N -1 1 291.303 1.683 20 0 CDADMM CC(=O)N1CC[C@@](C)(C(=O)[N-]OCc2cccc(C)n2)C1 ZINC000898934036 621972102 /nfs/dbraw/zinc/97/21/02/621972102.db2.gz JHBNYHVHSYKSAZ-OAHLLOKOSA-N -1 1 291.351 1.196 20 0 CDADMM Cc1[n-]n(-c2cc(Cl)nc(N)n2)c(=O)c1C(C)C ZINC000899352282 622196718 /nfs/dbraw/zinc/19/67/18/622196718.db2.gz DUTRPZCWNLMSJE-VIFPVBQESA-N -1 1 267.720 1.707 20 0 CDADMM COc1cc(C)nc(-n2[n-]c(C)c(C(C)C)c2=O)n1 ZINC000899351577 622204742 /nfs/dbraw/zinc/20/47/42/622204742.db2.gz 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PQSWKAZCKZFBLD-UHFFFAOYSA-N -1 1 287.283 1.381 20 0 CDADMM O=c1cnc(Nc2[n-]c(=O)nc3nc[nH]c32)cn1C1CCC1 ZINC001170230035 1162318810 /nfs/dbraw/zinc/31/88/10/1162318810.db2.gz KUEIMXPVKFAEAD-UHFFFAOYSA-N -1 1 299.294 1.084 20 0 CDADMM O=C(NCCC1(CO)CC1)c1c[nH]c2ccccc2c1=O ZINC000395846712 1159636817 /nfs/dbraw/zinc/63/68/17/1159636817.db2.gz BPVFFVQFGVWYTK-UHFFFAOYSA-N -1 1 286.331 1.421 20 0 CDADMM CC(C)OC(=O)CNC(=O)c1c(F)ccc([O-])c1F ZINC000809667172 1163067295 /nfs/dbraw/zinc/06/72/95/1163067295.db2.gz RIIHCQPIJGPQAY-UHFFFAOYSA-N -1 1 273.235 1.352 20 0 CDADMM CCC[C@@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001604147807 1163107214 /nfs/dbraw/zinc/10/72/14/1163107214.db2.gz UNQOMWOYWGTBDN-RXMQYKEDSA-N -1 1 288.764 1.550 20 0 CDADMM CCCCCCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001604175750 1163115416 /nfs/dbraw/zinc/11/54/16/1163115416.db2.gz CIIVDHYRLIJLNZ-UHFFFAOYSA-N -1 1 261.333 1.957 20 0 CDADMM CCCCCCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001604175750 1163115420 /nfs/dbraw/zinc/11/54/20/1163115420.db2.gz CIIVDHYRLIJLNZ-UHFFFAOYSA-N -1 1 261.333 1.957 20 0 CDADMM S=c1nncc(OC[C@H]2COc3ccccc3O2)[n-]1 ZINC001228635698 1160468904 /nfs/dbraw/zinc/46/89/04/1160468904.db2.gz BLVHPKIRVWXENC-MRVPVSSYSA-N -1 1 277.305 1.379 20 0 CDADMM C[C@@H](N[C@@H](C)C(=O)NCC(=O)[O-])c1cc2ccccc2o1 ZINC001604357889 1163163280 /nfs/dbraw/zinc/16/32/80/1163163280.db2.gz REJIRWCWPGNIOC-ZJUUUORDSA-N -1 1 290.319 1.673 20 0 CDADMM CC(=O)[C@@H]1CN(Cc2cccc([O-])c2Cl)CCO1 ZINC001232790028 1161051271 /nfs/dbraw/zinc/05/12/71/1161051271.db2.gz FWGBXUXDVXYXMM-LBPRGKRZSA-N -1 1 269.728 1.835 20 0 CDADMM CCON(CC)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001604437665 1163187940 /nfs/dbraw/zinc/18/79/40/1163187940.db2.gz CAJYTJDAYQNTME-UHFFFAOYSA-N -1 1 277.288 1.067 20 0 CDADMM CCON(CC)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001604437665 1163187942 /nfs/dbraw/zinc/18/79/42/1163187942.db2.gz CAJYTJDAYQNTME-UHFFFAOYSA-N -1 1 277.288 1.067 20 0 CDADMM C[C@H](Oc1ccccc1CN1C[C@@H]2C[C@]2(CO)C1)C(=O)[O-] ZINC001604443819 1163190644 /nfs/dbraw/zinc/19/06/44/1163190644.db2.gz RZCYKQMBXUMLGI-DETPVDSQSA-N -1 1 291.347 1.353 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](C)C[C@H]2C)n1 ZINC001604544480 1163224567 /nfs/dbraw/zinc/22/45/67/1163224567.db2.gz ZTEBWEVLKWJAHB-DTWKUNHWSA-N -1 1 273.344 1.454 20 0 CDADMM CCn1ncc(Nc2cc(-c3nnn[n-]3)nc(C)n2)c1C ZINC001604622036 1163253032 /nfs/dbraw/zinc/25/30/32/1163253032.db2.gz GASVCLZJPSJTEL-UHFFFAOYSA-N -1 1 285.315 1.234 20 0 CDADMM CCn1ncc(Nc2cc(-c3nn[n-]n3)nc(C)n2)c1C ZINC001604622036 1163253036 /nfs/dbraw/zinc/25/30/36/1163253036.db2.gz GASVCLZJPSJTEL-UHFFFAOYSA-N -1 1 285.315 1.234 20 0 CDADMM CO[C@H](C)Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001605005662 1163411277 /nfs/dbraw/zinc/41/12/77/1163411277.db2.gz PLQGEWIPRMZMMI-SECBINFHSA-N -1 1 285.307 1.217 20 0 CDADMM COC[C@]1(C)CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001605065570 1163439028 /nfs/dbraw/zinc/43/90/28/1163439028.db2.gz WCDMXGGDLMCJPM-CYBMUJFWSA-N -1 1 274.328 1.125 20 0 CDADMM COC[C@]1(C)CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001605065570 1163439036 /nfs/dbraw/zinc/43/90/36/1163439036.db2.gz WCDMXGGDLMCJPM-CYBMUJFWSA-N -1 1 274.328 1.125 20 0 CDADMM COCCN(c1ccnc(-c2nnn[n-]2)c1)C1CCCC1 ZINC001605102810 1163452802 /nfs/dbraw/zinc/45/28/02/1163452802.db2.gz DXMRBKIRQKPZIO-UHFFFAOYSA-N -1 1 288.355 1.657 20 0 CDADMM COCCN(c1ccnc(-c2nn[n-]n2)c1)C1CCCC1 ZINC001605102810 1163452810 /nfs/dbraw/zinc/45/28/10/1163452810.db2.gz DXMRBKIRQKPZIO-UHFFFAOYSA-N -1 1 288.355 1.657 20 0 CDADMM CCN(Cc1cccs1)[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001605458484 1163572586 /nfs/dbraw/zinc/57/25/86/1163572586.db2.gz IPOJJIKIUKBUQR-GFCCVEGCSA-N -1 1 296.392 1.646 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](C3CC3)C2)n1 ZINC001605559800 1163609217 /nfs/dbraw/zinc/60/92/17/1163609217.db2.gz JXIYCMSGPFZNKY-SNVBAGLBSA-N -1 1 271.328 1.201 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](C3CC3)C2)n1 ZINC001605559800 1163609219 /nfs/dbraw/zinc/60/92/19/1163609219.db2.gz JXIYCMSGPFZNKY-SNVBAGLBSA-N -1 1 271.328 1.201 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)n1 ZINC001605569601 1163613012 /nfs/dbraw/zinc/61/30/12/1163613012.db2.gz OLEVPQJSSUJSQJ-HJGDQZAQSA-N -1 1 289.343 1.189 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)n1 ZINC001605569601 1163613017 /nfs/dbraw/zinc/61/30/17/1163613017.db2.gz OLEVPQJSSUJSQJ-HJGDQZAQSA-N -1 1 289.343 1.189 20 0 CDADMM Cc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)c(C)[nH]1 ZINC001605591611 1163617437 /nfs/dbraw/zinc/61/74/37/1163617437.db2.gz VZIVAQPYLAECEC-UHFFFAOYSA-N -1 1 297.322 1.483 20 0 CDADMM Cc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)c(C)[nH]1 ZINC001605591611 1163617439 /nfs/dbraw/zinc/61/74/39/1163617439.db2.gz VZIVAQPYLAECEC-UHFFFAOYSA-N -1 1 297.322 1.483 20 0 CDADMM Cc1cc(NC[C@@H]2CCO[C@H](C)C2)nc(-c2nnn[n-]2)c1 ZINC001605730147 1163653480 /nfs/dbraw/zinc/65/34/80/1163653480.db2.gz FOIOXRAVKRWKGS-GHMZBOCLSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(NC[C@@H]2CCO[C@H](C)C2)nc(-c2nn[n-]n2)c1 ZINC001605730147 1163653485 /nfs/dbraw/zinc/65/34/85/1163653485.db2.gz FOIOXRAVKRWKGS-GHMZBOCLSA-N -1 1 288.355 1.797 20 0 CDADMM CC[C@@H](C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1)N(C)C ZINC001605746651 1163657181 /nfs/dbraw/zinc/65/71/81/1163657181.db2.gz CGYOWEMZWXFWOH-JTQLQIEISA-N -1 1 290.323 1.540 20 0 CDADMM Cc1ccc(N[C@@H]2CO[C@H](C3CC3)C2)nc1-c1nnn[n-]1 ZINC001605871942 1163699011 /nfs/dbraw/zinc/69/90/11/1163699011.db2.gz OMZWYISCLWFDLK-QWRGUYRKSA-N -1 1 286.339 1.550 20 0 CDADMM Cc1ccc(N[C@@H]2CO[C@H](C3CC3)C2)nc1-c1nn[n-]n1 ZINC001605871942 1163699014 /nfs/dbraw/zinc/69/90/14/1163699014.db2.gz OMZWYISCLWFDLK-QWRGUYRKSA-N -1 1 286.339 1.550 20 0 CDADMM Cc1ccccc1[C@@H]1C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001605943506 1163720551 /nfs/dbraw/zinc/72/05/51/1163720551.db2.gz FMBSPDNPZOTCTR-NWDGAFQWSA-N -1 1 293.334 1.933 20 0 CDADMM Cc1ccccc1[C@@H]1C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001605943506 1163720562 /nfs/dbraw/zinc/72/05/62/1163720562.db2.gz FMBSPDNPZOTCTR-NWDGAFQWSA-N -1 1 293.334 1.933 20 0 CDADMM Cc1nc(N[C@H](C)C2CCOCC2)cc(-c2nnn[n-]2)n1 ZINC001606059203 1163759077 /nfs/dbraw/zinc/75/90/77/1163759077.db2.gz GLZKZKSJYDCCRV-MRVPVSSYSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1nc(N[C@H](C)C2CCOCC2)cc(-c2nn[n-]n2)n1 ZINC001606059203 1163759081 /nfs/dbraw/zinc/75/90/81/1163759081.db2.gz GLZKZKSJYDCCRV-MRVPVSSYSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCC(F)(F)C1 ZINC001606167409 1163794735 /nfs/dbraw/zinc/79/47/35/1163794735.db2.gz MFKBKPFDOBMVFV-SSDOTTSWSA-N -1 1 297.265 1.686 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCC(F)(F)C1 ZINC001606167409 1163794741 /nfs/dbraw/zinc/79/47/41/1163794741.db2.gz MFKBKPFDOBMVFV-SSDOTTSWSA-N -1 1 297.265 1.686 20 0 CDADMM CN(Cc1ccccc1)C1CN(c2ncncc2C(=O)[O-])C1 ZINC001606167983 1163795913 /nfs/dbraw/zinc/79/59/13/1163795913.db2.gz FTIPNEJTHWGTMF-UHFFFAOYSA-N -1 1 298.346 1.495 20 0 CDADMM Clc1cc(-c2nn[n-]n2)c[nH]c1=NOC[C@H]1CCOC1 ZINC001606188467 1163803691 /nfs/dbraw/zinc/80/36/91/1163803691.db2.gz QHMHIJBLJZUJRX-ZETCQYMHSA-N -1 1 296.718 1.295 20 0 CDADMM FC1(F)CCC[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001606300449 1163846423 /nfs/dbraw/zinc/84/64/23/1163846423.db2.gz VIHGTTZKTWSIQX-QMMMGPOBSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(F)CCC[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001606300449 1163846436 /nfs/dbraw/zinc/84/64/36/1163846436.db2.gz VIHGTTZKTWSIQX-QMMMGPOBSA-N -1 1 295.297 1.894 20 0 CDADMM Fc1cncc(CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC001606335615 1163866342 /nfs/dbraw/zinc/86/63/42/1163866342.db2.gz BPCAZTYNHYEARD-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM Fc1cncc(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC001606335615 1163866345 /nfs/dbraw/zinc/86/63/45/1163866345.db2.gz BPCAZTYNHYEARD-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Oc1ccc(F)cc1 ZINC001606598980 1163936508 /nfs/dbraw/zinc/93/65/08/1163936508.db2.gz ZAXHQDJNEUPHCH-UHFFFAOYSA-N -1 1 299.265 1.549 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Oc1ccc(F)cc1 ZINC001606598980 1163936513 /nfs/dbraw/zinc/93/65/13/1163936513.db2.gz ZAXHQDJNEUPHCH-UHFFFAOYSA-N -1 1 299.265 1.549 20 0 CDADMM CO[C@@H](C)CS(=O)(=O)Nc1scc(C)c1C(=O)[O-] ZINC001606666558 1163954492 /nfs/dbraw/zinc/95/44/92/1163954492.db2.gz NCHZDIPXRBWFJV-ZETCQYMHSA-N -1 1 293.366 1.531 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001606934020 1164032814 /nfs/dbraw/zinc/03/28/14/1164032814.db2.gz TYXGWFRPYKJTHG-OPRDCNLKSA-N -1 1 284.323 1.636 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001606934020 1164032823 /nfs/dbraw/zinc/03/28/23/1164032823.db2.gz TYXGWFRPYKJTHG-OPRDCNLKSA-N -1 1 284.323 1.636 20 0 CDADMM O=C(Nc1ccccn1)c1ccc(-c2nnn[n-]2)o1 ZINC001606940277 1164034144 /nfs/dbraw/zinc/03/41/44/1164034144.db2.gz PDQIQSJXMRQOPC-UHFFFAOYSA-N -1 1 256.225 1.107 20 0 CDADMM O=C(Nc1ccccn1)c1ccc(-c2nn[n-]n2)o1 ZINC001606940277 1164034151 /nfs/dbraw/zinc/03/41/51/1164034151.db2.gz PDQIQSJXMRQOPC-UHFFFAOYSA-N -1 1 256.225 1.107 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1Cc2cccnc2C1 ZINC001607017295 1164060662 /nfs/dbraw/zinc/06/06/62/1164060662.db2.gz VDADXLQSOSUELY-UHFFFAOYSA-N -1 1 282.263 1.011 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1Cc2cccnc2C1 ZINC001607017295 1164060669 /nfs/dbraw/zinc/06/06/69/1164060669.db2.gz VDADXLQSOSUELY-UHFFFAOYSA-N -1 1 282.263 1.011 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1C(F)F ZINC001607016951 1164061380 /nfs/dbraw/zinc/06/13/80/1164061380.db2.gz IQTNCOQBIBNBOV-VIFPVBQESA-N -1 1 294.265 1.131 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1C(F)F ZINC001607016951 1164061387 /nfs/dbraw/zinc/06/13/87/1164061387.db2.gz IQTNCOQBIBNBOV-VIFPVBQESA-N -1 1 294.265 1.131 20 0 CDADMM c1cc(N[C@H]2CCCCC23CCCC3)nc(-c2nn[n-]n2)n1 ZINC001607119349 1164101242 /nfs/dbraw/zinc/10/12/42/1164101242.db2.gz CAJKOTABGOXTNK-NSHDSACASA-N -1 1 299.382 1.994 20 0 CDADMM c1ccc2c(c1)CCN(c1cc(-c3nnn[n-]3)ncn1)CC2 ZINC001607132600 1164110097 /nfs/dbraw/zinc/11/00/97/1164110097.db2.gz NZPOJGTWEOEBLD-UHFFFAOYSA-N -1 1 293.334 1.262 20 0 CDADMM c1ccc2c(c1)CCN(c1cc(-c3nn[n-]n3)ncn1)CC2 ZINC001607132600 1164110101 /nfs/dbraw/zinc/11/01/01/1164110101.db2.gz NZPOJGTWEOEBLD-UHFFFAOYSA-N -1 1 293.334 1.262 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@H]2CC[C@@H](C3CC3)O2)c1 ZINC001607133341 1164113330 /nfs/dbraw/zinc/11/33/30/1164113330.db2.gz CYVUNZJGGYMXBN-PWSUYJOCSA-N -1 1 286.339 1.631 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@H]2CC[C@@H](C3CC3)O2)c1 ZINC001607133341 1164113331 /nfs/dbraw/zinc/11/33/31/1164113331.db2.gz CYVUNZJGGYMXBN-PWSUYJOCSA-N -1 1 286.339 1.631 20 0 CDADMM Cc1cc(NC(=O)[C@H]2CCc3[nH]cnc3C2)c(C(=O)[O-])[nH]1 ZINC001607675745 1164265534 /nfs/dbraw/zinc/26/55/34/1164265534.db2.gz HBSMOTCXBQHDOO-QMMMGPOBSA-N -1 1 288.307 1.488 20 0 CDADMM Cc1ccccc1[C@@H](N)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001607879023 1164319504 /nfs/dbraw/zinc/31/95/04/1164319504.db2.gz QCHIQJLHQQSTGP-CYBMUJFWSA-N -1 1 278.352 1.612 20 0 CDADMM Cc1cccnc1NC(=O)CN1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001607891161 1164323030 /nfs/dbraw/zinc/32/30/30/1164323030.db2.gz QBXKDXNNMGULLC-NHYWBVRUSA-N -1 1 291.351 1.371 20 0 CDADMM Cc1cccnc1NC(=O)CN[C@@](C)(CCF)C(=O)[O-] ZINC001607890305 1164323385 /nfs/dbraw/zinc/32/33/85/1164323385.db2.gz DFVYWXFAURRVSO-ZDUSSCGKSA-N -1 1 283.303 1.121 20 0 CDADMM Cc1ncc(CN[C@H](C(=O)[O-])c2cccc(O)c2)cn1 ZINC001607980753 1164360780 /nfs/dbraw/zinc/36/07/80/1164360780.db2.gz WYJWVCRDQNFJIE-ZDUSSCGKSA-N -1 1 273.292 1.406 20 0 CDADMM Cn1c(Cl)cnc1CN[C@@]1(CC(=O)[O-])CCCOC1 ZINC001608091051 1164406590 /nfs/dbraw/zinc/40/65/90/1164406590.db2.gz SNCUSDUJRNZVAS-GFCCVEGCSA-N -1 1 287.747 1.187 20 0 CDADMM O=C([O-])c1occc1CNC(=O)c1ccc(F)cc1O ZINC001608474179 1164523426 /nfs/dbraw/zinc/52/34/26/1164523426.db2.gz BOMYMEWMEWHGLR-UHFFFAOYSA-N -1 1 279.223 1.753 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)c3cc[nH]c(=O)c3)[nH]c21 ZINC001608523975 1164531450 /nfs/dbraw/zinc/53/14/50/1164531450.db2.gz CHPFJDDMAXITKO-UHFFFAOYSA-N -1 1 298.258 1.614 20 0 CDADMM O=C([O-])[C@H]1CCCC[C@@H]1CN1CCn2cncc2C1 ZINC001608625658 1164580627 /nfs/dbraw/zinc/58/06/27/1164580627.db2.gz ZBBDJOFRZWJMLI-YPMHNXCESA-N -1 1 263.341 1.590 20 0 CDADMM O=C([O-])c1occc1CN1CCc2cc[nH]c(=O)c2C1 ZINC001609006523 1164719812 /nfs/dbraw/zinc/71/98/12/1164719812.db2.gz XMNPXONITMHCAW-UHFFFAOYSA-N -1 1 274.276 1.637 20 0 CDADMM O=C([O-])c1sccc1CN1CC[C@@H](N2CCOC2=O)C1 ZINC001609008857 1164722000 /nfs/dbraw/zinc/72/20/00/1164722000.db2.gz OPEDKTYOTIFWJM-SNVBAGLBSA-N -1 1 296.348 1.473 20 0 CDADMM CCCCCCNC(=O)Cc1sc(N)nc1[O-] ZINC000120866675 1164722501 /nfs/dbraw/zinc/72/25/01/1164722501.db2.gz POAJOCLRXUXKRP-MRVPVSSYSA-N -1 1 257.359 1.030 20 0 CDADMM CC(C)O[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001609101766 1164770507 /nfs/dbraw/zinc/77/05/07/1164770507.db2.gz LDKWBPKYGQJXON-DTORHVGOSA-N -1 1 275.316 1.025 20 0 CDADMM CC(C)O[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001609101766 1164770511 /nfs/dbraw/zinc/77/05/11/1164770511.db2.gz LDKWBPKYGQJXON-DTORHVGOSA-N -1 1 275.316 1.025 20 0 CDADMM CC(C)n1ccc(COc2cccnc2-c2nnn[n-]2)n1 ZINC001609107301 1164774625 /nfs/dbraw/zinc/77/46/25/1164774625.db2.gz FRDBTURCQOPEOE-UHFFFAOYSA-N -1 1 285.311 1.618 20 0 CDADMM CC(C)n1ccc(COc2cccnc2-c2nn[n-]n2)n1 ZINC001609107301 1164774632 /nfs/dbraw/zinc/77/46/32/1164774632.db2.gz FRDBTURCQOPEOE-UHFFFAOYSA-N -1 1 285.311 1.618 20 0 CDADMM C[C@@H](NC(=O)c1csc(-c2nn[n-]n2)c1)[C@H]1CCOC1 ZINC001609122729 1164779072 /nfs/dbraw/zinc/77/90/72/1164779072.db2.gz NOVSZSVSBQCIBE-SFYZADRCSA-N -1 1 293.352 1.083 20 0 CDADMM C[C@@H](c1cccs1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001609142078 1164786233 /nfs/dbraw/zinc/78/62/33/1164786233.db2.gz LFDOYNCRPZJIEU-QMMMGPOBSA-N -1 1 287.352 1.916 20 0 CDADMM C[C@@H](c1cccs1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001609142078 1164786241 /nfs/dbraw/zinc/78/62/41/1164786241.db2.gz LFDOYNCRPZJIEU-QMMMGPOBSA-N -1 1 287.352 1.916 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)[C@@H](C)[C@@H](C)O1 ZINC001609171565 1164814177 /nfs/dbraw/zinc/81/41/77/1164814177.db2.gz IGVUSGKPWWHHCK-HRDYMLBCSA-N -1 1 291.311 1.098 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)[C@@H](C)[C@@H](C)O1 ZINC001609171565 1164814181 /nfs/dbraw/zinc/81/41/81/1164814181.db2.gz IGVUSGKPWWHHCK-HRDYMLBCSA-N -1 1 291.311 1.098 20 0 CDADMM CC[C@H](C)[C@@](C)(O)CNc1snc(C)c1-c1nn[n-]n1 ZINC001609183626 1164823123 /nfs/dbraw/zinc/82/31/23/1164823123.db2.gz FPXUZANPMUUZGC-MADCSZMMSA-N -1 1 296.400 1.841 20 0 CDADMM CC[C@H](CCOC)OC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001609190746 1164829815 /nfs/dbraw/zinc/82/98/15/1164829815.db2.gz UWYZGWQMHUQKBD-SECBINFHSA-N -1 1 294.311 1.740 20 0 CDADMM CC[C@H](CCOC)OC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609190746 1164829822 /nfs/dbraw/zinc/82/98/22/1164829822.db2.gz UWYZGWQMHUQKBD-SECBINFHSA-N -1 1 294.311 1.740 20 0 CDADMM CCN(Cc1nc(-c2nnn[n-]2)cs1)C[C@H]1CCCO1 ZINC001609226088 1164853649 /nfs/dbraw/zinc/85/36/49/1164853649.db2.gz BJMCTGFULBAIRK-SECBINFHSA-N -1 1 294.384 1.324 20 0 CDADMM CCN(Cc1nc(-c2nn[n-]n2)cs1)C[C@H]1CCCO1 ZINC001609226088 1164853656 /nfs/dbraw/zinc/85/36/56/1164853656.db2.gz BJMCTGFULBAIRK-SECBINFHSA-N -1 1 294.384 1.324 20 0 CDADMM CCN(CC)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609222735 1164853690 /nfs/dbraw/zinc/85/36/90/1164853690.db2.gz VYXFYMDHVWOUBG-UHFFFAOYSA-N -1 1 251.315 1.410 20 0 CDADMM CC[C@@H]1C[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609249220 1164863075 /nfs/dbraw/zinc/86/30/75/1164863075.db2.gz CCROOWZFYKESRP-VXNVDRBHSA-N -1 1 273.300 1.182 20 0 CDADMM CC[C@@H]1C[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609249220 1164863078 /nfs/dbraw/zinc/86/30/78/1164863078.db2.gz CCROOWZFYKESRP-VXNVDRBHSA-N -1 1 273.300 1.182 20 0 CDADMM COc1ccncc1CNCc1ccc(-c2nnn[n-]2)o1 ZINC001609364980 1164910824 /nfs/dbraw/zinc/91/08/24/1164910824.db2.gz YWAGLHBDSDMMHP-UHFFFAOYSA-N -1 1 286.295 1.153 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC(C)(C)C[C@@H]2C)n1 ZINC001609391545 1164924033 /nfs/dbraw/zinc/92/40/33/1164924033.db2.gz MXFYQDLVBQKFTF-VIFPVBQESA-N -1 1 273.344 1.590 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC(C)(C)C[C@@H]2C)n1 ZINC001609391545 1164924044 /nfs/dbraw/zinc/92/40/44/1164924044.db2.gz MXFYQDLVBQKFTF-VIFPVBQESA-N -1 1 273.344 1.590 20 0 CDADMM Cc1cc(CNc2cc(C)nc(-c3nnn[n-]3)c2)on1 ZINC001609401782 1164932716 /nfs/dbraw/zinc/93/27/16/1164932716.db2.gz KGGWRYWOBFQJIB-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1cc(CNc2cc(C)nc(-c3nn[n-]n3)c2)on1 ZINC001609401782 1164932721 /nfs/dbraw/zinc/93/27/21/1164932721.db2.gz KGGWRYWOBFQJIB-UHFFFAOYSA-N -1 1 271.284 1.479 20 0 CDADMM Cc1cc(N[C@H]2CCCSC2)cc(-c2nnn[n-]2)n1 ZINC001609409098 1164933771 /nfs/dbraw/zinc/93/37/71/1164933771.db2.gz XXFUXVDXMLYJEJ-VIFPVBQESA-N -1 1 276.369 1.300 20 0 CDADMM Cc1cc(N[C@H]2CCCSC2)cc(-c2nn[n-]n2)n1 ZINC001609409098 1164933775 /nfs/dbraw/zinc/93/37/75/1164933775.db2.gz XXFUXVDXMLYJEJ-VIFPVBQESA-N -1 1 276.369 1.300 20 0 CDADMM Cc1nn(C)cc1[C@H](C)Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001609408747 1164933912 /nfs/dbraw/zinc/93/39/12/1164933912.db2.gz JPINKVXDEFFESR-VIFPVBQESA-N -1 1 298.354 1.207 20 0 CDADMM Cc1nn(C)cc1[C@H](C)Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001609408747 1164933916 /nfs/dbraw/zinc/93/39/16/1164933916.db2.gz JPINKVXDEFFESR-VIFPVBQESA-N -1 1 298.354 1.207 20 0 CDADMM Cc1cccc(CN(C)c2cnc(-c3nnn[n-]3)cn2)c1C ZINC001609431746 1164942067 /nfs/dbraw/zinc/94/20/67/1164942067.db2.gz YTIUXIIWMOWQSM-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1cccc(CN(C)c2cnc(-c3nn[n-]n3)cn2)c1C ZINC001609431746 1164942073 /nfs/dbraw/zinc/94/20/73/1164942073.db2.gz YTIUXIIWMOWQSM-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccc(NC[C@@]2(C)CCCO2)nc1-c1nnn[n-]1 ZINC001609426499 1164944261 /nfs/dbraw/zinc/94/42/61/1164944261.db2.gz WOJYFYOYQNAAEP-CYBMUJFWSA-N -1 1 274.328 1.551 20 0 CDADMM Cc1ccc(NC[C@@]2(C)CCCO2)nc1-c1nn[n-]n1 ZINC001609426499 1164944264 /nfs/dbraw/zinc/94/42/64/1164944264.db2.gz WOJYFYOYQNAAEP-CYBMUJFWSA-N -1 1 274.328 1.551 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1cc(C)ccn1 ZINC001609438470 1164945666 /nfs/dbraw/zinc/94/56/66/1164945666.db2.gz LDCHAZZDXAHIMW-UHFFFAOYSA-N -1 1 298.306 1.402 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1cc(C)ccn1 ZINC001609438470 1164945670 /nfs/dbraw/zinc/94/56/70/1164945670.db2.gz LDCHAZZDXAHIMW-UHFFFAOYSA-N -1 1 298.306 1.402 20 0 CDADMM Cc1ncsc1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001609457561 1164959964 /nfs/dbraw/zinc/95/99/64/1164959964.db2.gz CCPVXYKVERVRPT-UHFFFAOYSA-N -1 1 288.340 1.058 20 0 CDADMM Cc1ncsc1CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001609457561 1164959967 /nfs/dbraw/zinc/95/99/67/1164959967.db2.gz CCPVXYKVERVRPT-UHFFFAOYSA-N -1 1 288.340 1.058 20 0 CDADMM Cc1[nH]sc(=NC(=O)NOCC(C)C)c1-c1nn[n-]n1 ZINC001609465020 1164961797 /nfs/dbraw/zinc/96/17/97/1164961797.db2.gz GGWVXFVGJNWEMK-UHFFFAOYSA-N -1 1 297.344 1.341 20 0 CDADMM C/C(=C/CN1CC[C@H](n2cc(Cl)cn2)C1)C(=O)[O-] ZINC001609503751 1164978027 /nfs/dbraw/zinc/97/80/27/1164978027.db2.gz ZCFIMOFKKZVPIC-KPEAJPNUSA-N -1 1 269.732 1.814 20 0 CDADMM O=C(CSC1CC1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001609533688 1164983530 /nfs/dbraw/zinc/98/35/30/1164983530.db2.gz PCENUKFDNDARPL-UHFFFAOYSA-N -1 1 291.336 1.406 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(Oc2ncnc3c2CCC3)c1 ZINC001609619424 1165013936 /nfs/dbraw/zinc/01/39/36/1165013936.db2.gz QXGBVCKMPQKCGP-UHFFFAOYSA-N -1 1 281.279 1.333 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(Oc2ncnc3c2CCC3)c1 ZINC001609619424 1165013942 /nfs/dbraw/zinc/01/39/42/1165013942.db2.gz QXGBVCKMPQKCGP-UHFFFAOYSA-N -1 1 281.279 1.333 20 0 CDADMM CC1=C(C(=O)[O-])C[C@@H](CN[C@@H](C)c2ccn(C)n2)O1 ZINC001609829363 1165100373 /nfs/dbraw/zinc/10/03/73/1165100373.db2.gz GYMZMAQKQNWBLI-WPRPVWTQSA-N -1 1 265.313 1.218 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NC/C=C/C1CC1 ZINC001609867043 1165120875 /nfs/dbraw/zinc/12/08/75/1165120875.db2.gz HOYKMHBKUPPVEJ-QAVQXKDTSA-N -1 1 295.383 1.143 20 0 CDADMM Cc1c(C(=O)N2CCC[C@H]2CC(=O)[O-])ccc2cncn21 ZINC001610406411 1165308377 /nfs/dbraw/zinc/30/83/77/1165308377.db2.gz WHQGWPKRPGLRAB-NSHDSACASA-N -1 1 287.319 1.722 20 0 CDADMM Cc1cncc(CN2CC[N@H+](CCC(=O)[O-])C[C@H]2C)c1 ZINC001610540745 1165348394 /nfs/dbraw/zinc/34/83/94/1165348394.db2.gz MTHBLMUZKRVLEN-CYBMUJFWSA-N -1 1 277.368 1.371 20 0 CDADMM Cc1ncc(CN2[C@@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)cn1 ZINC001610562651 1165355869 /nfs/dbraw/zinc/35/58/69/1165355869.db2.gz IGFHTDVAKZZXDF-QQUHWDOBSA-N -1 1 291.351 1.380 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2cnn(-c3ccncc3)c2)c[nH]1 ZINC001610711306 1165411458 /nfs/dbraw/zinc/41/14/58/1165411458.db2.gz NIEFMRHGWICTNG-UHFFFAOYSA-N -1 1 297.274 1.546 20 0 CDADMM O=C([O-])c1ccc(CN2CCc3n[nH]nc3C2)cc1F ZINC001610825774 1165454360 /nfs/dbraw/zinc/45/43/60/1165454360.db2.gz JCXRAJBRQSAXJN-UHFFFAOYSA-N -1 1 276.271 1.200 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)CCc1ccc(O)cc1 ZINC001625355253 1165902082 /nfs/dbraw/zinc/90/20/82/1165902082.db2.gz TWXXGQZADINNDP-UHFFFAOYSA-N -1 1 261.281 1.701 20 0 CDADMM O=C(Nc1cccc(-n2ccnn2)c1)c1ccc([O-])cn1 ZINC001630389511 1166202748 /nfs/dbraw/zinc/20/27/48/1166202748.db2.gz FGAARFMGCQGENG-UHFFFAOYSA-N -1 1 281.275 1.620 20 0 CDADMM Cc1nnc(SCC(=O)c2ccc([O-])cc2O)o1 ZINC000048402747 1166458247 /nfs/dbraw/zinc/45/82/47/1166458247.db2.gz BDWDTODGKVJAFG-UHFFFAOYSA-N -1 1 266.278 1.764 20 0 CDADMM O=C(Nc1cccc2nonc21)c1cncc([O-])c1 ZINC001635167500 1166565101 /nfs/dbraw/zinc/56/51/01/1166565101.db2.gz AGPSBECTZWRJQG-UHFFFAOYSA-N -1 1 256.221 1.576 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1Cc1ccc(F)cc1 ZINC000095150677 1166595329 /nfs/dbraw/zinc/59/53/29/1166595329.db2.gz BAVJFBONVKYRKE-UHFFFAOYSA-N -1 1 271.255 1.216 20 0 CDADMM O=C(Nc1cc([O-])c(F)cc1F)C1=COCCO1 ZINC001637367166 1166750808 /nfs/dbraw/zinc/75/08/08/1166750808.db2.gz XWAMHYLVDDTYGO-UHFFFAOYSA-N -1 1 257.192 1.497 20 0 CDADMM Cc1[n-][nH]c2ncnc(=NC(=O)c3ccc4cc[nH]c4n3)c1-2 ZINC001151589464 1167082862 /nfs/dbraw/zinc/08/28/62/1167082862.db2.gz OIJHURFTKIHFJG-UHFFFAOYSA-N -1 1 293.290 1.163 20 0 CDADMM CC1(C)OCC(NC(=O)c2[n-][nH]c3cc(=O)ccc2-3)CO1 ZINC001155269993 1167112295 /nfs/dbraw/zinc/11/22/95/1167112295.db2.gz XDJVHBASRFWQTO-UHFFFAOYSA-N -1 1 291.307 1.150 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1ccc(-n2cccn2)cc1 ZINC001641598349 1167122630 /nfs/dbraw/zinc/12/26/30/1167122630.db2.gz VJWQVIVRLDGMRA-UHFFFAOYSA-N -1 1 269.264 1.553 20 0 CDADMM CCN(c1nnc(Cc2nnn[n-]2)n1C)C1CCCCC1 ZINC001646673829 1168034719 /nfs/dbraw/zinc/03/47/19/1168034719.db2.gz SMFRFLYHMYWTME-UHFFFAOYSA-N -1 1 290.375 1.078 20 0 CDADMM C[C@H](CN(C)C(=O)c1nncc2ccccc21)c1nn[n-]n1 ZINC001567309828 1168673483 /nfs/dbraw/zinc/67/34/83/1168673483.db2.gz LVCLBCANCQNWEP-SECBINFHSA-N -1 1 297.322 1.019 20 0 CDADMM CC(C)n1nnc([N-]C(=O)c2ncc(Cl)s2)n1 ZINC001647429406 1168681128 /nfs/dbraw/zinc/68/11/28/1168681128.db2.gz TZVULLDHSTUCLJ-UHFFFAOYSA-N -1 1 272.721 1.616 20 0 CDADMM CN(C(=O)c1ccc2c(c1)C(C)(C)CO2)c1nn[n-]n1 ZINC001650000352 1169587675 /nfs/dbraw/zinc/58/76/75/1169587675.db2.gz WAMGQIJXJNLRJO-UHFFFAOYSA-N -1 1 273.296 1.146 20 0 CDADMM CO[C@H]1CCC[C@H](CC(=O)Nc2c[n-][nH]c2=O)C1 ZINC001654603684 1171625117 /nfs/dbraw/zinc/62/51/17/1171625117.db2.gz YQXYJWUOSLHMOR-IUCAKERBSA-N -1 1 253.302 1.649 20 0 CDADMM Cc1ccc(COc2cnc(-c3nn[n-]n3)nc2)c(C)c1 ZINC001581201413 1172592503 /nfs/dbraw/zinc/59/25/03/1172592503.db2.gz CWSWXAJYUSVSTM-UHFFFAOYSA-N -1 1 282.307 1.853 20 0 CDADMM C[C@@H](C(=O)OCc1cccnc1-c1nnn[n-]1)C(C)(C)C ZINC001589031178 1173119606 /nfs/dbraw/zinc/11/96/06/1173119606.db2.gz UUZLJEYKWHEPCM-VIFPVBQESA-N -1 1 289.339 1.987 20 0 CDADMM C[C@@H](C(=O)OCc1cccnc1-c1nn[n-]n1)C(C)(C)C ZINC001589031178 1173119609 /nfs/dbraw/zinc/11/96/09/1173119609.db2.gz UUZLJEYKWHEPCM-VIFPVBQESA-N -1 1 289.339 1.987 20 0 CDADMM C[C@@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)C1CCC1 ZINC001589033578 1173119881 /nfs/dbraw/zinc/11/98/81/1173119881.db2.gz YZVPMASLLYLCOE-SECBINFHSA-N -1 1 287.323 1.741 20 0 CDADMM C[C@@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)C1CCC1 ZINC001589033578 1173119883 /nfs/dbraw/zinc/11/98/83/1173119883.db2.gz YZVPMASLLYLCOE-SECBINFHSA-N -1 1 287.323 1.741 20 0 CDADMM CC(C)(C)OCCCCn1cc(-c2nn[n-]n2)nn1 ZINC001589194173 1173128317 /nfs/dbraw/zinc/12/83/17/1173128317.db2.gz YPHYDUXENJBHKE-UHFFFAOYSA-N -1 1 265.321 1.054 20 0 CDADMM CC(C)(CO)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC001589299928 1173133266 /nfs/dbraw/zinc/13/32/66/1173133266.db2.gz VILQWPWWNUZZAO-UHFFFAOYSA-N -1 1 299.334 1.200 20 0 CDADMM CC(C)[C@H](O)C(C)(C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001589476732 1173148256 /nfs/dbraw/zinc/14/82/56/1173148256.db2.gz UYPNGTSCAGEVLR-NSHDSACASA-N -1 1 291.359 1.112 20 0 CDADMM CC(C)[C@H](O)C(C)(C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001589476732 1173148262 /nfs/dbraw/zinc/14/82/62/1173148262.db2.gz UYPNGTSCAGEVLR-NSHDSACASA-N -1 1 291.359 1.112 20 0 CDADMM CC(C)[C@H]1C[C@@H]1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589502137 1173152164 /nfs/dbraw/zinc/15/21/64/1173152164.db2.gz NMLCTZQGNHERBO-GHMZBOCLSA-N -1 1 287.323 1.711 20 0 CDADMM CC(C)[C@H]1C[C@@H]1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589502137 1173152169 /nfs/dbraw/zinc/15/21/69/1173152169.db2.gz NMLCTZQGNHERBO-GHMZBOCLSA-N -1 1 287.323 1.711 20 0 CDADMM CC(C)Cn1ccnc1CNc1cncc(-c2nnn[n-]2)n1 ZINC001589670701 1173169027 /nfs/dbraw/zinc/16/90/27/1173169027.db2.gz FJJCCKGDEZPWLM-UHFFFAOYSA-N -1 1 299.342 1.121 20 0 CDADMM CC(C)Cn1ccnc1CNc1cncc(-c2nn[n-]n2)n1 ZINC001589670701 1173169029 /nfs/dbraw/zinc/16/90/29/1173169029.db2.gz FJJCCKGDEZPWLM-UHFFFAOYSA-N -1 1 299.342 1.121 20 0 CDADMM CC(C)OCCC(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001589746756 1173170683 /nfs/dbraw/zinc/17/06/83/1173170683.db2.gz FJVQJBBCDVVTGE-UHFFFAOYSA-N -1 1 296.352 1.787 20 0 CDADMM CC(C)[C@@H]1C[C@H]1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001589763472 1173176912 /nfs/dbraw/zinc/17/69/12/1173176912.db2.gz PGRRNHCFNCGTEK-DTWKUNHWSA-N -1 1 277.353 1.703 20 0 CDADMM CC(C)[C@@H]1C[C@H]1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001589763472 1173176918 /nfs/dbraw/zinc/17/69/18/1173176918.db2.gz PGRRNHCFNCGTEK-DTWKUNHWSA-N -1 1 277.353 1.703 20 0 CDADMM C[C@H](C1CC1)N(C(=O)c1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001589787448 1173181982 /nfs/dbraw/zinc/18/19/82/1173181982.db2.gz RQPLPVKRCMWKSQ-SECBINFHSA-N -1 1 298.350 1.665 20 0 CDADMM C[C@H](C1CC1)N(C(=O)c1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001589787448 1173181987 /nfs/dbraw/zinc/18/19/87/1173181987.db2.gz RQPLPVKRCMWKSQ-SECBINFHSA-N -1 1 298.350 1.665 20 0 CDADMM CC(F)(F)CCCNc1ncncc1-c1nn[n-]n1 ZINC001589910373 1173200803 /nfs/dbraw/zinc/20/08/03/1173200803.db2.gz DKUYSWHLRHPTMT-UHFFFAOYSA-N -1 1 269.259 1.504 20 0 CDADMM C[C@@H](O)C(C)(C)CNc1cccc(-c2nnn[n-]2)n1 ZINC001589992967 1173223192 /nfs/dbraw/zinc/22/31/92/1173223192.db2.gz HEBBNQUXBJUJPC-MRVPVSSYSA-N -1 1 262.317 1.081 20 0 CDADMM C[C@@H](O)C(C)(C)CNc1cccc(-c2nn[n-]n2)n1 ZINC001589992967 1173223195 /nfs/dbraw/zinc/22/31/95/1173223195.db2.gz HEBBNQUXBJUJPC-MRVPVSSYSA-N -1 1 262.317 1.081 20 0 CDADMM CC1(C(=O)Nc2ncc(-c3nnn[n-]3)s2)CCOCC1 ZINC001590071153 1173242786 /nfs/dbraw/zinc/24/27/86/1173242786.db2.gz UYHQTXUZTAMEQA-UHFFFAOYSA-N -1 1 294.340 1.078 20 0 CDADMM CC1(C(=O)Nc2ncc(-c3nn[n-]n3)s2)CCOCC1 ZINC001590071153 1173242791 /nfs/dbraw/zinc/24/27/91/1173242791.db2.gz UYHQTXUZTAMEQA-UHFFFAOYSA-N -1 1 294.340 1.078 20 0 CDADMM CC1(C)CC[C@H]1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001590092734 1173255057 /nfs/dbraw/zinc/25/50/57/1173255057.db2.gz LUXJLBCQRXPZQM-LURJTMIESA-N -1 1 278.341 1.698 20 0 CDADMM CC1(C)CC[C@H]1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001590092734 1173255062 /nfs/dbraw/zinc/25/50/62/1173255062.db2.gz LUXJLBCQRXPZQM-LURJTMIESA-N -1 1 278.341 1.698 20 0 CDADMM CC1(C)CCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590094995 1173256593 /nfs/dbraw/zinc/25/65/93/1173256593.db2.gz MWCDSXOJJNCCRF-JTQLQIEISA-N -1 1 275.312 1.768 20 0 CDADMM CC1(C)CCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590094995 1173256598 /nfs/dbraw/zinc/25/65/98/1173256598.db2.gz MWCDSXOJJNCCRF-JTQLQIEISA-N -1 1 275.312 1.768 20 0 CDADMM CC1(NC(=O)c2ccnc(-c3nnn[n-]3)c2)CC(F)(F)C1 ZINC001590146190 1173271528 /nfs/dbraw/zinc/27/15/28/1173271528.db2.gz PIHMCGBBNHGPNV-UHFFFAOYSA-N -1 1 294.265 1.179 20 0 CDADMM CC1(NC(=O)c2ccnc(-c3nn[n-]n3)c2)CC(F)(F)C1 ZINC001590146190 1173271535 /nfs/dbraw/zinc/27/15/35/1173271535.db2.gz PIHMCGBBNHGPNV-UHFFFAOYSA-N -1 1 294.265 1.179 20 0 CDADMM CC1(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)CC1 ZINC001590145814 1173273477 /nfs/dbraw/zinc/27/34/77/1173273477.db2.gz UASDOQLJEMQBOQ-UHFFFAOYSA-N -1 1 278.703 1.197 20 0 CDADMM C[C@H]1C[C@H](C(=O)Nc2c[nH]nc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC001590187143 1173283036 /nfs/dbraw/zinc/28/30/36/1173283036.db2.gz IVWKNZGHDHXYQF-BRPSZJMVSA-N -1 1 289.343 1.601 20 0 CDADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590217516 1173298112 /nfs/dbraw/zinc/29/81/12/1173298112.db2.gz CMIRACPYYVITQJ-SNVBAGLBSA-N -1 1 298.350 1.666 20 0 CDADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590217516 1173298118 /nfs/dbraw/zinc/29/81/18/1173298118.db2.gz CMIRACPYYVITQJ-SNVBAGLBSA-N -1 1 298.350 1.666 20 0 CDADMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1c1cnc(-c2nnn[n-]2)cn1 ZINC001590217753 1173298761 /nfs/dbraw/zinc/29/87/61/1173298761.db2.gz DYXATMQNSXXHLQ-JFGNBEQYSA-N -1 1 285.355 1.814 20 0 CDADMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1c1cnc(-c2nn[n-]n2)cn1 ZINC001590217753 1173298770 /nfs/dbraw/zinc/29/87/70/1173298770.db2.gz DYXATMQNSXXHLQ-JFGNBEQYSA-N -1 1 285.355 1.814 20 0 CDADMM C[C@H]1CC[C@]2(CCN(c3cc(-c4nnn[n-]4)ncn3)C2)C1 ZINC001590240350 1173314780 /nfs/dbraw/zinc/31/47/80/1173314780.db2.gz MRBACLGATVRWPQ-HZMBPMFUSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@H]1CC[C@]2(CCN(c3cc(-c4nn[n-]n4)ncn3)C2)C1 ZINC001590240350 1173314788 /nfs/dbraw/zinc/31/47/88/1173314788.db2.gz MRBACLGATVRWPQ-HZMBPMFUSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@H]1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)[C@H]1C ZINC001590263753 1173327611 /nfs/dbraw/zinc/32/76/11/1173327611.db2.gz LGGRSPDAYQQVQO-UWVGGRQHSA-N -1 1 286.339 1.061 20 0 CDADMM C[C@H]1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)[C@H]1C ZINC001590263753 1173327619 /nfs/dbraw/zinc/32/76/19/1173327619.db2.gz LGGRSPDAYQQVQO-UWVGGRQHSA-N -1 1 286.339 1.061 20 0 CDADMM C[C@@H]1COCC[C@@H]1OC(=O)c1sccc1-c1nn[n-]n1 ZINC001590326786 1173356800 /nfs/dbraw/zinc/35/68/00/1173356800.db2.gz UBBPJWMGANTGER-APPZFPTMSA-N -1 1 294.336 1.510 20 0 CDADMM C/C=C/CNC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001590353569 1173371142 /nfs/dbraw/zinc/37/11/42/1173371142.db2.gz HSEWHHIFLJUTPL-ONEGZZNKSA-N -1 1 279.329 1.329 20 0 CDADMM C/C=C/CNC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590353569 1173371147 /nfs/dbraw/zinc/37/11/47/1173371147.db2.gz HSEWHHIFLJUTPL-ONEGZZNKSA-N -1 1 279.329 1.329 20 0 CDADMM CC[C@@](C)(O)CCOC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001590383649 1173383342 /nfs/dbraw/zinc/38/33/42/1173383342.db2.gz FUXAOUJWGHCTJJ-GFCCVEGCSA-N -1 1 296.352 1.636 20 0 CDADMM CC[C@@H](C)COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590409463 1173395941 /nfs/dbraw/zinc/39/59/41/1173395941.db2.gz HZYDNUVXDDRFED-SSDOTTSWSA-N -1 1 250.258 1.663 20 0 CDADMM CC[C@H]1CC[C@H](C(=O)OCc2ccc(-c3nnn[n-]3)o2)O1 ZINC001590504144 1173440125 /nfs/dbraw/zinc/44/01/25/1173440125.db2.gz CBCDIMGRTJSUIF-GZMMTYOYSA-N -1 1 292.295 1.461 20 0 CDADMM CC[C@H]1CC[C@H](C(=O)OCc2ccc(-c3nn[n-]n3)o2)O1 ZINC001590504144 1173440132 /nfs/dbraw/zinc/44/01/32/1173440132.db2.gz CBCDIMGRTJSUIF-GZMMTYOYSA-N -1 1 292.295 1.461 20 0 CDADMM CC[C@@H]1CCC[C@H]1C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001590510725 1173443276 /nfs/dbraw/zinc/44/32/76/1173443276.db2.gz ZCDLRPQIANGAMM-HTQZYQBOSA-N -1 1 275.316 1.355 20 0 CDADMM CCCCOCCOC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590612665 1173476133 /nfs/dbraw/zinc/47/61/33/1173476133.db2.gz KZHDMQNRCMLMDM-UHFFFAOYSA-N -1 1 291.311 1.235 20 0 CDADMM CCCCOCCOC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590612665 1173476138 /nfs/dbraw/zinc/47/61/38/1173476138.db2.gz KZHDMQNRCMLMDM-UHFFFAOYSA-N -1 1 291.311 1.235 20 0 CDADMM CCCc1ccc(C(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001590657766 1173484567 /nfs/dbraw/zinc/48/45/67/1173484567.db2.gz ZOJXCXBJJJVQPA-UHFFFAOYSA-N -1 1 297.322 1.294 20 0 CDADMM CCOC1CC(N(C)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590793836 1173509331 /nfs/dbraw/zinc/50/93/31/1173509331.db2.gz SCXFESCCRKGQPX-UHFFFAOYSA-N -1 1 274.328 1.265 20 0 CDADMM CCOC1CC(N(C)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590793836 1173509337 /nfs/dbraw/zinc/50/93/37/1173509337.db2.gz SCXFESCCRKGQPX-UHFFFAOYSA-N -1 1 274.328 1.265 20 0 CDADMM CCO[C@H]1C[C@H](NC(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001590822674 1173525237 /nfs/dbraw/zinc/52/52/37/1173525237.db2.gz HUYVCEWANKGJKK-KYZUINATSA-N -1 1 293.352 1.226 20 0 CDADMM CC[C@@H]1C[C@H]1C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001590860446 1173531849 /nfs/dbraw/zinc/53/18/49/1173531849.db2.gz VFODNVWFOQRSOP-PSASIEDQSA-N -1 1 273.296 1.351 20 0 CDADMM CC[C@@H]1C[C@H]1C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001590860446 1173531853 /nfs/dbraw/zinc/53/18/53/1173531853.db2.gz VFODNVWFOQRSOP-PSASIEDQSA-N -1 1 273.296 1.351 20 0 CDADMM CC[C@H](NCc1nc(-c2nnn[n-]2)cs1)C(F)(F)F ZINC001590868723 1173533604 /nfs/dbraw/zinc/53/36/04/1173533604.db2.gz ZDUGTZJXQKLPDK-LURJTMIESA-N -1 1 292.290 1.754 20 0 CDADMM CC[C@H](NCc1nc(-c2nn[n-]n2)cs1)C(F)(F)F ZINC001590868723 1173533609 /nfs/dbraw/zinc/53/36/09/1173533609.db2.gz ZDUGTZJXQKLPDK-LURJTMIESA-N -1 1 292.290 1.754 20 0 CDADMM CCc1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)nn1C ZINC001590883439 1173537323 /nfs/dbraw/zinc/53/73/23/1173537323.db2.gz BLJBNBOMMWGFKD-UHFFFAOYSA-N -1 1 287.283 1.008 20 0 CDADMM CCc1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)nn1C ZINC001590883439 1173537324 /nfs/dbraw/zinc/53/73/24/1173537324.db2.gz BLJBNBOMMWGFKD-UHFFFAOYSA-N -1 1 287.283 1.008 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](C3CCC3)C2)n1 ZINC001590905951 1173540109 /nfs/dbraw/zinc/54/01/09/1173540109.db2.gz SICDSRMGICGTAO-NSHDSACASA-N -1 1 299.382 1.846 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](C3CCC3)C2)n1 ZINC001590905951 1173540115 /nfs/dbraw/zinc/54/01/15/1173540115.db2.gz SICDSRMGICGTAO-NSHDSACASA-N -1 1 299.382 1.846 20 0 CDADMM CCc1nc(N[C@@H]2CSC[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001590917049 1173541825 /nfs/dbraw/zinc/54/18/25/1173541825.db2.gz ZYMAQJKNCJTHDM-VXNVDRBHSA-N -1 1 291.384 1.383 20 0 CDADMM CCc1nc(N[C@@H]2CSC[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001590917049 1173541829 /nfs/dbraw/zinc/54/18/29/1173541829.db2.gz ZYMAQJKNCJTHDM-VXNVDRBHSA-N -1 1 291.384 1.383 20 0 CDADMM CN(C(=O)[C@@H]1CCC[C@H]2C[C@H]21)c1ccc(-c2nnn[n-]2)nc1 ZINC001590977290 1173554660 /nfs/dbraw/zinc/55/46/60/1173554660.db2.gz FVXFJNIWKAGNBR-MVWJERBFSA-N -1 1 298.350 1.661 20 0 CDADMM CN(C(=O)[C@@H]1CCC[C@H]2C[C@H]21)c1ccc(-c2nn[n-]n2)nc1 ZINC001590977290 1173554664 /nfs/dbraw/zinc/55/46/64/1173554664.db2.gz FVXFJNIWKAGNBR-MVWJERBFSA-N -1 1 298.350 1.661 20 0 CDADMM COC(=O)[C@@H]1CCCN1Cc1csc(-c2nn[n-]n2)c1 ZINC001591277959 1173598490 /nfs/dbraw/zinc/59/84/90/1173598490.db2.gz UKHZMVHMTRQIPQ-VIFPVBQESA-N -1 1 293.352 1.066 20 0 CDADMM COC1(CNc2nc(-c3nn[n-]n3)ccc2C)CCCC1 ZINC001591342427 1173619927 /nfs/dbraw/zinc/61/99/27/1173619927.db2.gz HDEMERXTENMZGK-UHFFFAOYSA-N -1 1 288.355 1.941 20 0 CDADMM COC[C@@H]1CCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001591394649 1173643895 /nfs/dbraw/zinc/64/38/95/1173643895.db2.gz YNFMDOBUPICOLE-YFKPBYRVSA-N -1 1 286.748 1.202 20 0 CDADMM COC[C@@H]1CCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001591394649 1173643899 /nfs/dbraw/zinc/64/38/99/1173643899.db2.gz YNFMDOBUPICOLE-YFKPBYRVSA-N -1 1 286.748 1.202 20 0 CDADMM COCC[C@H](C)Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001591399215 1173648300 /nfs/dbraw/zinc/64/83/00/1173648300.db2.gz PBWQSQHCQRCMMS-QMMMGPOBSA-N -1 1 262.317 1.407 20 0 CDADMM COCC[C@H](C)Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001591399215 1173648303 /nfs/dbraw/zinc/64/83/03/1173648303.db2.gz PBWQSQHCQRCMMS-QMMMGPOBSA-N -1 1 262.317 1.407 20 0 CDADMM COCCC1(CNc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001591402088 1173648343 /nfs/dbraw/zinc/64/83/43/1173648343.db2.gz AETGOSUIFLCYGH-UHFFFAOYSA-N -1 1 294.384 1.860 20 0 CDADMM COc1c(-c2nn[n-]n2)ccc(=O)n1CCCC(C)C ZINC001591474837 1173661903 /nfs/dbraw/zinc/66/19/03/1173661903.db2.gz LCYYQXRRKMKZJR-UHFFFAOYSA-N -1 1 277.328 1.473 20 0 CDADMM COc1ccc(NCc2nc(-c3nnn[n-]3)cs2)cn1 ZINC001591618734 1173675415 /nfs/dbraw/zinc/67/54/15/1173675415.db2.gz WEJHDGDJRLDMKG-UHFFFAOYSA-N -1 1 289.324 1.339 20 0 CDADMM COc1ccc(Oc2ncccc2-c2nn[n-]n2)cn1 ZINC001591621054 1173676618 /nfs/dbraw/zinc/67/66/18/1173676618.db2.gz FWWFYLVURWTEJM-UHFFFAOYSA-N -1 1 270.252 1.458 20 0 CDADMM COc1cncc(COc2cccnc2-c2nnn[n-]2)c1 ZINC001591658642 1173678769 /nfs/dbraw/zinc/67/87/69/1173678769.db2.gz GDWAEVCXACBMSV-UHFFFAOYSA-N -1 1 284.279 1.244 20 0 CDADMM COc1cncc(COc2cccnc2-c2nn[n-]n2)c1 ZINC001591658642 1173678773 /nfs/dbraw/zinc/67/87/73/1173678773.db2.gz GDWAEVCXACBMSV-UHFFFAOYSA-N -1 1 284.279 1.244 20 0 CDADMM CSCCC(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001591698240 1173687500 /nfs/dbraw/zinc/68/75/00/1173687500.db2.gz RQNIGBCNUNMYBY-UHFFFAOYSA-N -1 1 279.325 1.058 20 0 CDADMM CSCCC(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001591698240 1173687503 /nfs/dbraw/zinc/68/75/03/1173687503.db2.gz RQNIGBCNUNMYBY-UHFFFAOYSA-N -1 1 279.325 1.058 20 0 CDADMM C[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001591772363 1173698799 /nfs/dbraw/zinc/69/87/99/1173698799.db2.gz UNQQRVINWPBBRA-KYZUINATSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001591772363 1173698804 /nfs/dbraw/zinc/69/88/04/1173698804.db2.gz UNQQRVINWPBBRA-KYZUINATSA-N -1 1 259.317 1.647 20 0 CDADMM C[Si](C)(C)COC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591779662 1173702845 /nfs/dbraw/zinc/70/28/45/1173702845.db2.gz NRNUFUBKZOFIOT-UHFFFAOYSA-N -1 1 291.387 1.225 20 0 CDADMM C[Si](C)(C)COC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591779662 1173702849 /nfs/dbraw/zinc/70/28/49/1173702849.db2.gz NRNUFUBKZOFIOT-UHFFFAOYSA-N -1 1 291.387 1.225 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C)[C@H](C)C2)c1 ZINC001591883868 1173734483 /nfs/dbraw/zinc/73/44/83/1173734483.db2.gz KFZKFEFDALTDCI-AOOOYVTPSA-N -1 1 258.329 1.662 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](C)[C@H](C)C2)c1 ZINC001591883868 1173734489 /nfs/dbraw/zinc/73/44/89/1173734489.db2.gz KFZKFEFDALTDCI-AOOOYVTPSA-N -1 1 258.329 1.662 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](C)C3(CCC3)C2)n1 ZINC001591884796 1173740156 /nfs/dbraw/zinc/74/01/56/1173740156.db2.gz AGHFVCMGUKIPSE-JTQLQIEISA-N -1 1 299.382 1.982 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](C)C3(CCC3)C2)n1 ZINC001591884796 1173740160 /nfs/dbraw/zinc/74/01/60/1173740160.db2.gz AGHFVCMGUKIPSE-JTQLQIEISA-N -1 1 299.382 1.982 20 0 CDADMM Cc1cc(N(C)C[C@@H]2CCCCO2)cc(-c2nnn[n-]2)n1 ZINC001591996214 1173766958 /nfs/dbraw/zinc/76/69/58/1173766958.db2.gz ZLVFPPTUJDIIBY-LBPRGKRZSA-N -1 1 288.355 1.575 20 0 CDADMM Cc1cc(N(C)C[C@@H]2CCCCO2)cc(-c2nn[n-]n2)n1 ZINC001591996214 1173766960 /nfs/dbraw/zinc/76/69/60/1173766960.db2.gz ZLVFPPTUJDIIBY-LBPRGKRZSA-N -1 1 288.355 1.575 20 0 CDADMM Cc1cc(NCCOCC2CCC2)cc(-c2nnn[n-]2)n1 ZINC001592050247 1173786022 /nfs/dbraw/zinc/78/60/22/1173786022.db2.gz KXCASKZVSYPQDJ-UHFFFAOYSA-N -1 1 288.355 1.799 20 0 CDADMM Cc1cc(NCCOCC2CCC2)cc(-c2nn[n-]n2)n1 ZINC001592050247 1173786028 /nfs/dbraw/zinc/78/60/28/1173786028.db2.gz KXCASKZVSYPQDJ-UHFFFAOYSA-N -1 1 288.355 1.799 20 0 CDADMM Cc1cc(NCCCCCO)nc(-c2nnn[n-]2)c1 ZINC001592047101 1173786728 /nfs/dbraw/zinc/78/67/28/1173786728.db2.gz ISUYBZVLBDSHSD-UHFFFAOYSA-N -1 1 262.317 1.145 20 0 CDADMM Cc1cc(NCCCCCO)nc(-c2nn[n-]n2)c1 ZINC001592047101 1173786734 /nfs/dbraw/zinc/78/67/34/1173786734.db2.gz ISUYBZVLBDSHSD-UHFFFAOYSA-N -1 1 262.317 1.145 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H]1CC[C@H](C)O1 ZINC001592113407 1173805868 /nfs/dbraw/zinc/80/58/68/1173805868.db2.gz GDUZFPSRUGCJOJ-UWVGGRQHSA-N -1 1 274.328 1.550 20 0 CDADMM Cc1ccc(N2C[C@H](C)[C@](C)(CO)C2)nc1-c1nnn[n-]1 ZINC001592174414 1173824013 /nfs/dbraw/zinc/82/40/13/1173824013.db2.gz DKNBZNFPIJKBNP-HZMBPMFUSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(N2C[C@H](C)[C@](C)(CO)C2)nc1-c1nn[n-]n1 ZINC001592174414 1173824022 /nfs/dbraw/zinc/82/40/22/1173824022.db2.gz DKNBZNFPIJKBNP-HZMBPMFUSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(NC2CC(CCO)C2)c(-c2nnn[n-]2)n1 ZINC001592184877 1173828248 /nfs/dbraw/zinc/82/82/48/1173828248.db2.gz XKINLAPQPMJZCG-UHFFFAOYSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1ccc(NC2CC(CCO)C2)c(-c2nn[n-]n2)n1 ZINC001592184877 1173828254 /nfs/dbraw/zinc/82/82/54/1173828254.db2.gz XKINLAPQPMJZCG-UHFFFAOYSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1ccn(CN(C)CC(C)(C)C)c(=O)c1-c1nn[n-]n1 ZINC001592265574 1173839183 /nfs/dbraw/zinc/83/91/83/1173839183.db2.gz AVYHBTSHZXCXJJ-UHFFFAOYSA-N -1 1 290.371 1.272 20 0 CDADMM Cc1ccoc1CC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592282433 1173847529 /nfs/dbraw/zinc/84/75/29/1173847529.db2.gz RWPAOZICPOSHPX-UHFFFAOYSA-N -1 1 284.279 1.344 20 0 CDADMM Cc1ccoc1CC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592282433 1173847535 /nfs/dbraw/zinc/84/75/35/1173847535.db2.gz RWPAOZICPOSHPX-UHFFFAOYSA-N -1 1 284.279 1.344 20 0 CDADMM Cc1coc(Sc2cccc(-c3nnn[n-]3)n2)n1 ZINC001592307528 1173851882 /nfs/dbraw/zinc/85/18/82/1173851882.db2.gz AFYZVQAHRSLIOO-UHFFFAOYSA-N -1 1 260.282 1.709 20 0 CDADMM Cc1coc(Sc2cccc(-c3nn[n-]n3)n2)n1 ZINC001592307528 1173851886 /nfs/dbraw/zinc/85/18/86/1173851886.db2.gz AFYZVQAHRSLIOO-UHFFFAOYSA-N -1 1 260.282 1.709 20 0 CDADMM Cc1cocc1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592309729 1173851928 /nfs/dbraw/zinc/85/19/28/1173851928.db2.gz FBMWGVDMSOHEJF-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1cocc1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592309729 1173851932 /nfs/dbraw/zinc/85/19/32/1173851932.db2.gz FBMWGVDMSOHEJF-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1[nH]nc(NCc2cccc3n[nH]cc32)c1-c1nn[n-]n1 ZINC001592330506 1173855972 /nfs/dbraw/zinc/85/59/72/1173855972.db2.gz ICRWCMVGBGBAKW-UHFFFAOYSA-N -1 1 295.310 1.387 20 0 CDADMM Cc1nc(NCC2(CC3CC3)CC2)cc(-c2nnn[n-]2)n1 ZINC001592386207 1173875633 /nfs/dbraw/zinc/87/56/33/1173875633.db2.gz PNUMFRBZLHDNLE-UHFFFAOYSA-N -1 1 285.355 1.957 20 0 CDADMM Cc1nc(NCC2(CC3CC3)CC2)cc(-c2nn[n-]n2)n1 ZINC001592386207 1173875639 /nfs/dbraw/zinc/87/56/39/1173875639.db2.gz PNUMFRBZLHDNLE-UHFFFAOYSA-N -1 1 285.355 1.957 20 0 CDADMM Cc1nonc1CSc1cccnc1-c1nnn[n-]1 ZINC001592466869 1173895857 /nfs/dbraw/zinc/89/58/57/1173895857.db2.gz KHMUFOLKLVBEQN-UHFFFAOYSA-N -1 1 275.297 1.245 20 0 CDADMM Cc1nonc1CSc1cccnc1-c1nn[n-]n1 ZINC001592466869 1173895861 /nfs/dbraw/zinc/89/58/61/1173895861.db2.gz KHMUFOLKLVBEQN-UHFFFAOYSA-N -1 1 275.297 1.245 20 0 CDADMM Cc1nsc(N[C@H]2CO[C@@H](C3CC3)C2)c1-c1nn[n-]n1 ZINC001592486976 1173903123 /nfs/dbraw/zinc/90/31/23/1173903123.db2.gz WRGKQKIZNBMVHA-RKDXNWHRSA-N -1 1 292.368 1.611 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC(C)(F)F ZINC001592502089 1173908235 /nfs/dbraw/zinc/90/82/35/1173908235.db2.gz KXGKRCRCMUFZCV-UHFFFAOYSA-N -1 1 271.227 1.153 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC(C)(F)F ZINC001592502089 1173908238 /nfs/dbraw/zinc/90/82/38/1173908238.db2.gz KXGKRCRCMUFZCV-UHFFFAOYSA-N -1 1 271.227 1.153 20 0 CDADMM Cc1onc(Cc2nnc(C(C)(C)C)o2)c1-c1nnn[n-]1 ZINC001592517087 1173911164 /nfs/dbraw/zinc/91/11/64/1173911164.db2.gz RURPFYQOANZMLM-UHFFFAOYSA-N -1 1 289.299 1.434 20 0 CDADMM Cc1onc(Cc2nnc(C(C)(C)C)o2)c1-c1nn[n-]n1 ZINC001592517087 1173911168 /nfs/dbraw/zinc/91/11/68/1173911168.db2.gz RURPFYQOANZMLM-UHFFFAOYSA-N -1 1 289.299 1.434 20 0 CDADMM Cn1ncnc1CSCc1ccc(-c2nnn[n-]2)o1 ZINC001592608123 1173927145 /nfs/dbraw/zinc/92/71/45/1173927145.db2.gz IBMRNLUOGYRODC-UHFFFAOYSA-N -1 1 277.313 1.022 20 0 CDADMM Cn1ncnc1CSCc1ccc(-c2nn[n-]n2)o1 ZINC001592608123 1173927147 /nfs/dbraw/zinc/92/71/47/1173927147.db2.gz IBMRNLUOGYRODC-UHFFFAOYSA-N -1 1 277.313 1.022 20 0 CDADMM Fc1ccc(C(F)(F)Cn2ccnc2-c2nnn[n-]2)cc1 ZINC001592646258 1173953118 /nfs/dbraw/zinc/95/31/18/1173953118.db2.gz MGSKRIGQULRDHZ-UHFFFAOYSA-N -1 1 294.240 1.994 20 0 CDADMM Fc1ccc(C(F)(F)Cn2ccnc2-c2nn[n-]n2)cc1 ZINC001592646258 1173953122 /nfs/dbraw/zinc/95/31/22/1173953122.db2.gz MGSKRIGQULRDHZ-UHFFFAOYSA-N -1 1 294.240 1.994 20 0 CDADMM Fc1ccc(OCC[C@H]2CCCCO2)c(-c2nnn[n-]2)n1 ZINC001592651837 1173953432 /nfs/dbraw/zinc/95/34/32/1173953432.db2.gz AFJVODUDEAIIKG-SECBINFHSA-N -1 1 293.302 1.739 20 0 CDADMM Fc1ccc(OCC[C@H]2CCCCO2)c(-c2nn[n-]n2)n1 ZINC001592651837 1173953437 /nfs/dbraw/zinc/95/34/37/1173953437.db2.gz AFJVODUDEAIIKG-SECBINFHSA-N -1 1 293.302 1.739 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1CCCCC1(F)F ZINC001592754103 1173985119 /nfs/dbraw/zinc/98/51/19/1173985119.db2.gz MAPGNFIVSMUFFV-SSDOTTSWSA-N -1 1 297.269 1.111 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C[C@H]1CC=CCC1 ZINC001592752830 1173987198 /nfs/dbraw/zinc/98/71/98/1173987198.db2.gz AKHRQEUJPRSQFC-QMMMGPOBSA-N -1 1 273.300 1.032 20 0 CDADMM O=C(C[C@@H]1CCCCO1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592821821 1173993714 /nfs/dbraw/zinc/99/37/14/1173993714.db2.gz XAWGIQYMTCKRRB-VIFPVBQESA-N -1 1 288.311 1.159 20 0 CDADMM O=C(C[C@@H]1CCCCO1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592821821 1173993717 /nfs/dbraw/zinc/99/37/17/1173993717.db2.gz XAWGIQYMTCKRRB-VIFPVBQESA-N -1 1 288.311 1.159 20 0 CDADMM O=C(CC1CC1)OCc1ccc(-c2nn[n-]n2)s1 ZINC001592816905 1173995099 /nfs/dbraw/zinc/99/50/99/1173995099.db2.gz TXXOGFIAPQWPKO-UHFFFAOYSA-N -1 1 264.310 1.772 20 0 CDADMM O=C(Cc1ccco1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592926289 1174004318 /nfs/dbraw/zinc/00/43/18/1174004318.db2.gz SOBWZJLTGPMKKV-UHFFFAOYSA-N -1 1 289.320 1.380 20 0 CDADMM O=C(NC12CCC(CC1)CC2)c1coc(-c2nnn[n-]2)c1 ZINC001592962898 1174006407 /nfs/dbraw/zinc/00/64/07/1174006407.db2.gz YPBIMTMEQMZPEE-UHFFFAOYSA-N -1 1 287.323 1.912 20 0 CDADMM O=C(NC12CCC(CC1)CC2)c1coc(-c2nn[n-]n2)c1 ZINC001592962898 1174006412 /nfs/dbraw/zinc/00/64/12/1174006412.db2.gz YPBIMTMEQMZPEE-UHFFFAOYSA-N -1 1 287.323 1.912 20 0 CDADMM O=C(NC1CC(F)(F)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC001592965955 1174007950 /nfs/dbraw/zinc/00/79/50/1174007950.db2.gz PKZKSNDHOVZNMN-UHFFFAOYSA-N -1 1 297.240 1.533 20 0 CDADMM O=C(NC1CC(F)(F)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001592965955 1174007955 /nfs/dbraw/zinc/00/79/55/1174007955.db2.gz PKZKSNDHOVZNMN-UHFFFAOYSA-N -1 1 297.240 1.533 20 0 CDADMM O=C(N[C@@H]1CCCSC1)c1ccc(-c2nnn[n-]2)o1 ZINC001592982522 1174010001 /nfs/dbraw/zinc/01/00/01/1174010001.db2.gz IQGNBDZYPDRFRO-SSDOTTSWSA-N -1 1 279.325 1.085 20 0 CDADMM O=C(N[C@@H]1CCCSC1)c1ccc(-c2nn[n-]n2)o1 ZINC001592982522 1174010008 /nfs/dbraw/zinc/01/00/08/1174010008.db2.gz IQGNBDZYPDRFRO-SSDOTTSWSA-N -1 1 279.325 1.085 20 0 CDADMM O=C(NC1CCSCC1)c1coc(-c2nnn[n-]2)c1 ZINC001592997301 1174012778 /nfs/dbraw/zinc/01/27/78/1174012778.db2.gz ZOEYFZIYPUNWTL-UHFFFAOYSA-N -1 1 279.325 1.085 20 0 CDADMM O=C(NC1CCSCC1)c1coc(-c2nn[n-]n2)c1 ZINC001592997301 1174012788 /nfs/dbraw/zinc/01/27/88/1174012788.db2.gz ZOEYFZIYPUNWTL-UHFFFAOYSA-N -1 1 279.325 1.085 20 0 CDADMM O=C(NCCC1CC1)c1ccsc1-c1nnn[n-]1 ZINC001593062355 1174018240 /nfs/dbraw/zinc/01/82/40/1174018240.db2.gz ZRKLYEQEAWGFQU-UHFFFAOYSA-N -1 1 263.326 1.458 20 0 CDADMM O=C(NCCC1CC1)c1ccsc1-c1nn[n-]n1 ZINC001593062355 1174018246 /nfs/dbraw/zinc/01/82/46/1174018246.db2.gz ZRKLYEQEAWGFQU-UHFFFAOYSA-N -1 1 263.326 1.458 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccoc1C1CC1 ZINC001593199033 1174031048 /nfs/dbraw/zinc/03/10/48/1174031048.db2.gz FFWGRYJIWGRHES-UHFFFAOYSA-N -1 1 285.267 1.313 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccoc1C1CC1 ZINC001593199033 1174031057 /nfs/dbraw/zinc/03/10/57/1174031057.db2.gz FFWGRYJIWGRHES-UHFFFAOYSA-N -1 1 285.267 1.313 20 0 CDADMM O=C(Nc1cc[nH]n1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593212555 1174033703 /nfs/dbraw/zinc/03/37/03/1174033703.db2.gz YBLASWAKEFMWIB-UHFFFAOYSA-N -1 1 294.278 1.323 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)NC1(C2CCC2)CC1 ZINC001593256149 1174039369 /nfs/dbraw/zinc/03/93/69/1174039369.db2.gz OHTCTOGHTAFYKK-UHFFFAOYSA-N -1 1 299.338 1.716 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)NC1(C2CCC2)CC1 ZINC001593256149 1174039374 /nfs/dbraw/zinc/03/93/74/1174039374.db2.gz OHTCTOGHTAFYKK-UHFFFAOYSA-N -1 1 299.338 1.716 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001593244656 1174039424 /nfs/dbraw/zinc/03/94/24/1174039424.db2.gz WNDXBHWHGOAVDZ-OPRDCNLKSA-N -1 1 299.338 1.572 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001593244656 1174039435 /nfs/dbraw/zinc/03/94/35/1174039435.db2.gz WNDXBHWHGOAVDZ-OPRDCNLKSA-N -1 1 299.338 1.572 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@H]1CCCC12CC2 ZINC001593256162 1174041434 /nfs/dbraw/zinc/04/14/34/1174041434.db2.gz OTALPNGVURSAHP-NSHDSACASA-N -1 1 299.338 1.716 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@H]1CCCC12CC2 ZINC001593256162 1174041439 /nfs/dbraw/zinc/04/14/39/1174041439.db2.gz OTALPNGVURSAHP-NSHDSACASA-N -1 1 299.338 1.716 20 0 CDADMM O=C(Nc1nc(C2CC2)c[nH]1)c1ccc(-c2nn[n-]n2)o1 ZINC001593263150 1174042681 /nfs/dbraw/zinc/04/26/81/1174042681.db2.gz FSWCNANAHBPIBT-UHFFFAOYSA-N -1 1 285.267 1.313 20 0 CDADMM O=C(Nc1cncc(F)c1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593258475 1174044316 /nfs/dbraw/zinc/04/43/16/1174044316.db2.gz JFHADFWVQJAGER-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(Nc1cncc(F)c1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593258475 1174044321 /nfs/dbraw/zinc/04/43/21/1174044321.db2.gz JFHADFWVQJAGER-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(OC1CCSCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593280738 1174049561 /nfs/dbraw/zinc/04/95/61/1174049561.db2.gz LHYNVFKOMUQHAT-UHFFFAOYSA-N -1 1 291.336 1.314 20 0 CDADMM O=C(OC[C@@H]1CC12CCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001593285510 1174050940 /nfs/dbraw/zinc/05/09/40/1174050940.db2.gz VJFCDYRSAGKURC-JTQLQIEISA-N -1 1 285.307 1.609 20 0 CDADMM O=C(OC[C@@H]1CC12CCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001593285510 1174050951 /nfs/dbraw/zinc/05/09/51/1174050951.db2.gz VJFCDYRSAGKURC-JTQLQIEISA-N -1 1 285.307 1.609 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1CCOCC1CCCC1 ZINC001593493287 1174087276 /nfs/dbraw/zinc/08/72/76/1174087276.db2.gz CWMHWUAEYVXOQA-UHFFFAOYSA-N -1 1 289.339 1.235 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1ccc(F)cc1F ZINC001593493327 1174088545 /nfs/dbraw/zinc/08/85/45/1174088545.db2.gz FFCMNDKKOLSLDV-UHFFFAOYSA-N -1 1 289.245 1.355 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1ccsc1Cl ZINC001593496836 1174089969 /nfs/dbraw/zinc/08/99/69/1174089969.db2.gz ZDKBZSVGNMZRTM-UHFFFAOYSA-N -1 1 293.739 1.792 20 0 CDADMM c1c(N[C@@H]2CCCOC2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543547 1174111608 /nfs/dbraw/zinc/11/16/08/1174111608.db2.gz SRPFHWGLNNOADT-SECBINFHSA-N -1 1 287.327 1.125 20 0 CDADMM c1c(N[C@@H]2CCCOC2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543547 1174111610 /nfs/dbraw/zinc/11/16/10/1174111610.db2.gz SRPFHWGLNNOADT-SECBINFHSA-N -1 1 287.327 1.125 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CN1CCCc2n[nH]cc21 ZINC001593551484 1174124003 /nfs/dbraw/zinc/12/40/03/1174124003.db2.gz MCKCPIUKPUKPDC-UHFFFAOYSA-N -1 1 271.284 1.136 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1CN1CCCc2n[nH]cc21 ZINC001593551484 1174124008 /nfs/dbraw/zinc/12/40/08/1174124008.db2.gz MCKCPIUKPUKPDC-UHFFFAOYSA-N -1 1 271.284 1.136 20 0 CDADMM c1cc([C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)ccn1 ZINC001593553660 1174126847 /nfs/dbraw/zinc/12/68/47/1174126847.db2.gz KXZSMUJEWJLDIK-NSHDSACASA-N -1 1 294.322 1.046 20 0 CDADMM c1cc2c(cccc2CNc2ccc(-c3nnn[n-]3)nn2)[nH]1 ZINC001593553963 1174129526 /nfs/dbraw/zinc/12/95/26/1174129526.db2.gz KUQZDZPGQYQYQO-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1cc2c(cccc2CNc2ccc(-c3nn[n-]n3)nn2)[nH]1 ZINC001593553963 1174129528 /nfs/dbraw/zinc/12/95/28/1174129528.db2.gz KUQZDZPGQYQYQO-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1cc(N[C@@H]2C[C@@H]3CCC[C@@H]23)cc(-c2nnn[n-]2)n1 ZINC001593558162 1174133619 /nfs/dbraw/zinc/13/36/19/1174133619.db2.gz KPFAUBZAJAWFKM-JMJZKYOTSA-N -1 1 256.313 1.284 20 0 CDADMM c1cc(N[C@@H]2C[C@@H]3CCC[C@@H]23)cc(-c2nn[n-]n2)n1 ZINC001593558162 1174133621 /nfs/dbraw/zinc/13/36/21/1174133621.db2.gz KPFAUBZAJAWFKM-JMJZKYOTSA-N -1 1 256.313 1.284 20 0 CDADMM c1ccc2c(c1)OC[C@H]2CNc1cnc(-c2nnn[n-]2)cn1 ZINC001593579916 1174147650 /nfs/dbraw/zinc/14/76/50/1174147650.db2.gz OUJZDRCSPOFIRD-SECBINFHSA-N -1 1 295.306 1.245 20 0 CDADMM c1ccc2c(c1)OC[C@H]2CNc1cnc(-c2nn[n-]n2)cn1 ZINC001593579916 1174147653 /nfs/dbraw/zinc/14/76/53/1174147653.db2.gz OUJZDRCSPOFIRD-SECBINFHSA-N -1 1 295.306 1.245 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@@H]2C[C@@H]3CCC[C@H]23)c1 ZINC001593582915 1174149445 /nfs/dbraw/zinc/14/94/45/1174149445.db2.gz GACCVZJVBNLXTQ-ATZCPNFKSA-N -1 1 256.313 1.862 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@@H]2C[C@@H]3CCC[C@H]23)c1 ZINC001593582915 1174149449 /nfs/dbraw/zinc/14/94/49/1174149449.db2.gz GACCVZJVBNLXTQ-ATZCPNFKSA-N -1 1 256.313 1.862 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N2CCOC3(CCC3)C2)c1 ZINC001593582951 1174151670 /nfs/dbraw/zinc/15/16/70/1174151670.db2.gz HKRFCWCFIAFFTO-UHFFFAOYSA-N -1 1 272.312 1.021 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N2CCOC3(CCC3)C2)c1 ZINC001593582951 1174151675 /nfs/dbraw/zinc/15/16/75/1174151675.db2.gz HKRFCWCFIAFFTO-UHFFFAOYSA-N -1 1 272.312 1.021 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NC1CC2(CCC2)C1 ZINC001593589929 1174157517 /nfs/dbraw/zinc/15/75/17/1174157517.db2.gz AGIMTTAQBMVAHY-UHFFFAOYSA-N -1 1 257.301 1.401 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NC1CC2(CCC2)C1 ZINC001593589929 1174157521 /nfs/dbraw/zinc/15/75/21/1174157521.db2.gz AGIMTTAQBMVAHY-UHFFFAOYSA-N -1 1 257.301 1.401 20 0 CDADMM CC[C@H](NC(=O)c1ccc2cncn2c1C)C(=O)[O-] ZINC001593622172 1174166893 /nfs/dbraw/zinc/16/68/93/1174166893.db2.gz LJSFSXWGDUGTFH-NSHDSACASA-N -1 1 261.281 1.236 20 0 CDADMM O=C(Nc1ccc(-n2nccn2)cc1)c1ccc([O-])cn1 ZINC001597888145 1174296858 /nfs/dbraw/zinc/29/68/58/1174296858.db2.gz QFSKVPJZTAEEFC-UHFFFAOYSA-N -1 1 281.275 1.620 20 0 CDADMM Cc1[nH]c(CNCc2cc(C)c[nH]c2=O)cc1C(=O)[O-] ZINC001600060295 1174349419 /nfs/dbraw/zinc/34/94/19/1174349419.db2.gz FKHKYSKRVWQRKM-UHFFFAOYSA-N -1 1 275.308 1.720 20 0 CDADMM Cc1cc(C)cc(OCCN2CCC[C@H](O)[C@@H]2C(=O)[O-])c1 ZINC001600175001 1174387233 /nfs/dbraw/zinc/38/72/33/1174387233.db2.gz DXWRXHWFPQTOBY-LSDHHAIUSA-N -1 1 293.363 1.592 20 0 CDADMM Cc1[nH]ncc1CNC(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001600271759 1174433060 /nfs/dbraw/zinc/43/30/60/1174433060.db2.gz MWZISRLFAINUOQ-UHFFFAOYSA-N -1 1 289.295 1.441 20 0 CDADMM Cc1cc(NC(=O)c2cc(C(C)(C)N)no2)c(C(=O)[O-])[nH]1 ZINC001600274107 1174434129 /nfs/dbraw/zinc/43/41/29/1174434129.db2.gz AKTXDAAAZSJINT-UHFFFAOYSA-N -1 1 292.295 1.455 20 0 CDADMM Cc1ccc(CN[C@@H](CO)c2cnn(C)c2)cc1C(=O)[O-] ZINC001600419113 1174470739 /nfs/dbraw/zinc/47/07/39/1174470739.db2.gz JRSKDKWSGHVHRR-AWEZNQCLSA-N -1 1 289.335 1.250 20 0 CDADMM Cc1ccc2[nH]ncc2c1C(=O)OCCCC(=O)C(=O)[O-] ZINC001600490374 1174488736 /nfs/dbraw/zinc/48/87/36/1174488736.db2.gz SBTNGIMOKQIZPH-UHFFFAOYSA-N -1 1 290.275 1.462 20 0 CDADMM Cc1ccc2nc(CNc3ncc(C(=O)[O-])cn3)[nH]c2c1 ZINC001600488484 1174488912 /nfs/dbraw/zinc/48/89/12/1174488912.db2.gz JJAFPTDZVXPTKI-UHFFFAOYSA-N -1 1 283.291 1.972 20 0 CDADMM Clc1cccc(-c2noc(Cc3nnn[n-]3)n2)c1 ZINC000095221173 1174514539 /nfs/dbraw/zinc/51/45/39/1174514539.db2.gz PQSUWKHUSKMDOK-UHFFFAOYSA-N -1 1 262.660 1.494 20 0 CDADMM Clc1cccc(-c2noc(Cc3nn[n-]n3)n2)c1 ZINC000095221173 1174514545 /nfs/dbraw/zinc/51/45/45/1174514545.db2.gz PQSUWKHUSKMDOK-UHFFFAOYSA-N -1 1 262.660 1.494 20 0 CDADMM c1nc(-c2nn[n-]n2)nn1Cc1nc2ccccc2s1 ZINC000095251120 1174520044 /nfs/dbraw/zinc/52/00/44/1174520044.db2.gz VDPPMRLDOVDYMP-UHFFFAOYSA-N -1 1 284.308 1.116 20 0 CDADMM C[C@H]1CCC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC000095254205 1174521089 /nfs/dbraw/zinc/52/10/89/1174521089.db2.gz RAVBDUSNOABXHP-UWVGGRQHSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@H]1CCC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC000095254205 1174521094 /nfs/dbraw/zinc/52/10/94/1174521094.db2.gz RAVBDUSNOABXHP-UWVGGRQHSA-N -1 1 273.344 1.672 20 0 CDADMM Cc1ccn(CCCOC(C)C)c(=O)c1-c1nn[n-]n1 ZINC000095344723 1174524361 /nfs/dbraw/zinc/52/43/61/1174524361.db2.gz IBQIRWAORQFWFD-UHFFFAOYSA-N -1 1 277.328 1.152 20 0 CDADMM Cc1[nH+]c(N2C[C@H](C(=O)[O-])C[C@H](C)C2)ccc1C(=O)[O-] ZINC001600707874 1174574774 /nfs/dbraw/zinc/57/47/74/1174574774.db2.gz AGKZAUBQQWWEFD-WCBMZHEXSA-N -1 1 278.308 1.635 20 0 CDADMM Cn1cc(-c2ccc(CN[C@](C)(CO)C(=O)[O-])s2)cn1 ZINC001600922612 1174665646 /nfs/dbraw/zinc/66/56/46/1174665646.db2.gz IYZDKTYYOLSRLI-CYBMUJFWSA-N -1 1 295.364 1.074 20 0 CDADMM Cn1ccc(CN2CC[C@H](C(=O)[O-])C[C@@H]2[C@H]2CCCO2)n1 ZINC001600976349 1174689205 /nfs/dbraw/zinc/68/92/05/1174689205.db2.gz OWVKUUUBJSQMBV-IACUBPJLSA-N -1 1 293.367 1.264 20 0 CDADMM Cn1nc(C(=O)[O-])cc1NC(=O)c1c[nH]nc1C(C)(C)C ZINC001601004979 1174700353 /nfs/dbraw/zinc/70/03/53/1174700353.db2.gz QZGTZIDRWOJLJZ-UHFFFAOYSA-N -1 1 291.311 1.391 20 0 CDADMM Nc1cnc(CN2CCC[C@H](CCC(=O)[O-])C2)cn1 ZINC001601218285 1174795797 /nfs/dbraw/zinc/79/57/97/1174795797.db2.gz IPIWXAPTMNEDOV-SNVBAGLBSA-N -1 1 264.329 1.136 20 0 CDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1cc[nH]c1C1CC1 ZINC001601564867 1174900454 /nfs/dbraw/zinc/90/04/54/1174900454.db2.gz HQMNXISWHNWTSY-NSHDSACASA-N -1 1 288.307 1.041 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)c3nccs3)[nH]c21 ZINC001601630846 1174917403 /nfs/dbraw/zinc/91/74/03/1174917403.db2.gz LRCCHGYNKWUKOI-UHFFFAOYSA-N -1 1 288.288 1.970 20 0 CDADMM O=C([O-])[C@@H]1[C@@H](CNc2cnn(-c3ccncc3)c2)C1(F)F ZINC001601754392 1174988470 /nfs/dbraw/zinc/98/84/70/1174988470.db2.gz UJHVQCGMPLHYIK-MNOVXSKESA-N -1 1 294.261 1.645 20 0 CDADMM O=C([O-])[C@@H]1CCN1C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC001601833589 1175029590 /nfs/dbraw/zinc/02/95/90/1175029590.db2.gz IEKJAGDCKYDHEH-NSHDSACASA-N -1 1 271.276 1.376 20 0 CDADMM O=C([O-])[C@H]1CSCCN(Cc2cccnc2Cl)C1 ZINC001601857476 1175039659 /nfs/dbraw/zinc/03/96/59/1175039659.db2.gz QXFAOKUPEVSWGL-SNVBAGLBSA-N -1 1 286.784 1.985 20 0 CDADMM O=C([O-])CC1(C[N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])CC1 ZINC001601915054 1175064173 /nfs/dbraw/zinc/06/41/73/1175064173.db2.gz CLVUFHDKTMTEFE-AWEZNQCLSA-N -1 1 289.331 1.925 20 0 CDADMM O=C([O-])Cc1c[nH]n(C[C@@H]2CCCC2(F)F)c1=O ZINC001601939453 1175076379 /nfs/dbraw/zinc/07/63/79/1175076379.db2.gz BWLDGSYWURRYAT-YUMQZZPRSA-N -1 1 260.240 1.341 20 0 CDADMM O=C([O-])C[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])no1 ZINC001601949670 1175081834 /nfs/dbraw/zinc/08/18/34/1175081834.db2.gz UGXKTQRANZGHND-MRVPVSSYSA-N -1 1 268.269 1.202 20 0 CDADMM O=C([O-])COc1cccc(-c2nc([C@H]3CCCN3)no2)c1 ZINC001602089704 1175127585 /nfs/dbraw/zinc/12/75/85/1175127585.db2.gz KDMHLGGINMNRAD-LLVKDONJSA-N -1 1 289.291 1.625 20 0 CDADMM O=C([O-])COc1cccc(NC(=O)Cc2cnc[nH]2)c1 ZINC001602093956 1175128960 /nfs/dbraw/zinc/12/89/60/1175128960.db2.gz DDHNZFVJARLTNR-UHFFFAOYSA-N -1 1 275.264 1.054 20 0 CDADMM O=C([O-])c1cccc(OC(=O)C23CCCN2CCC3)c1 ZINC001602447013 1175244619 /nfs/dbraw/zinc/24/46/19/1175244619.db2.gz ICENOSWKSYWOER-UHFFFAOYSA-N -1 1 275.304 1.919 20 0 CDADMM O=C([O-])c1cn([C@H]2CCCN(CCC(F)(F)F)C2)nn1 ZINC001602495130 1175261312 /nfs/dbraw/zinc/26/13/12/1175261312.db2.gz NGZPYWQSJJZSKG-QMMMGPOBSA-N -1 1 292.261 1.566 20 0 CDADMM C/C(=C/C(=O)[O-])CN1CCN(c2ccc(Cl)cn2)CC1 ZINC001602956967 1175457724 /nfs/dbraw/zinc/45/77/24/1175457724.db2.gz BUETWWLBELPKFE-FLIBITNWSA-N -1 1 295.770 1.888 20 0 CDADMM CC(=O)c1ccc(Cn2c(C)c(C)nc2-c2nn[n-]n2)cc1 ZINC001602976851 1175469907 /nfs/dbraw/zinc/46/99/07/1175469907.db2.gz XYMBHQKKGMOUAM-UHFFFAOYSA-N -1 1 296.334 1.931 20 0 CDADMM C[C@@H](C(=O)[O-])N(C(=O)[C@@H]1CCN1C(C)(C)C)C1CCC1 ZINC001603196139 1175511684 /nfs/dbraw/zinc/51/16/84/1175511684.db2.gz OSPVRKPKAYOYCG-JQWIXIFHSA-N -1 1 282.384 1.713 20 0 CDADMM C[C@@H](C(=O)[O-])N(C(=O)[C@H]1CCN1C(C)(C)C)C1CCC1 ZINC001603196138 1175512290 /nfs/dbraw/zinc/51/22/90/1175512290.db2.gz OSPVRKPKAYOYCG-CMPLNLGQSA-N -1 1 282.384 1.713 20 0 CDADMM CC(C)C(CNc1n[nH]cc1-c1nnn[n-]1)C(C)C ZINC001603219962 1175517518 /nfs/dbraw/zinc/51/75/18/1175517518.db2.gz WHXTUJNANCNYPA-UHFFFAOYSA-N -1 1 263.349 1.930 20 0 CDADMM CC(C)C(CNc1n[nH]cc1-c1nn[n-]n1)C(C)C ZINC001603219962 1175517520 /nfs/dbraw/zinc/51/75/20/1175517520.db2.gz WHXTUJNANCNYPA-UHFFFAOYSA-N -1 1 263.349 1.930 20 0 CDADMM CC(C)[C@@H](O)CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001603231566 1175522990 /nfs/dbraw/zinc/52/29/90/1175522990.db2.gz XYUSUDWGETXCJE-AWEZNQCLSA-N -1 1 298.350 1.844 20 0 CDADMM CC(C)[C@@H](O)CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001603231566 1175522994 /nfs/dbraw/zinc/52/29/94/1175522994.db2.gz XYUSUDWGETXCJE-AWEZNQCLSA-N -1 1 298.350 1.844 20 0 CDADMM CC(C)C1(O)CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001603240442 1175523823 /nfs/dbraw/zinc/52/38/23/1175523823.db2.gz CDUDLILEPQDOFS-UHFFFAOYSA-N -1 1 288.355 1.249 20 0 CDADMM CC(C)C1(O)CCN(c2cccnc2-c2nn[n-]n2)CC1 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1.846 20 0 CDADMM C[C@@]1(CNC(=O)c2ncccc2[O-])CCO[C@@H]1C1CC1 ZINC000373243062 160185005 /nfs/dbraw/zinc/18/50/05/160185005.db2.gz KMOAHYGCLUFSQS-HIFRSBDPSA-N -1 1 276.336 1.722 20 0 CDADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@]2(CCCOC2)O1 ZINC000373644257 160217977 /nfs/dbraw/zinc/21/79/77/160217977.db2.gz ZNFAIZHCPONKMI-ABAIWWIYSA-N -1 1 292.335 1.197 20 0 CDADMM COC1(C)CN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C1 ZINC000408056447 160688645 /nfs/dbraw/zinc/68/86/45/160688645.db2.gz HNNIXGXRXQEAOT-UHFFFAOYSA-N -1 1 293.367 1.649 20 0 CDADMM CN1C[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(O)cc(F)c2)C1=O ZINC000284584311 196090446 /nfs/dbraw/zinc/09/04/46/196090446.db2.gz JQKCATWMZXSOAS-ZIAGYGMSSA-N -1 1 278.327 1.584 20 0 CDADMM O=c1[nH]c2cc([N-]S(=O)(=O)c3ccccc3)ccc2o1 ZINC000029834556 171609679 /nfs/dbraw/zinc/60/96/79/171609679.db2.gz ABSLKIYVCXIIQA-UHFFFAOYSA-N -1 1 290.300 1.922 20 0 CDADMM CCCCCc1cc(C(=O)N(C)[C@H](C)C(=O)[O-])n[nH]1 ZINC000659127917 413544405 /nfs/dbraw/zinc/54/44/05/413544405.db2.gz 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/nfs/dbraw/zinc/09/12/25/414091225.db2.gz CRBDIEUMDZJBOR-LBPRGKRZSA-N -1 1 277.242 1.683 20 0 CDADMM CC1CCN(CC(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000659785699 414111742 /nfs/dbraw/zinc/11/17/42/414111742.db2.gz UQJOWCLGWFUZMW-UHFFFAOYSA-N -1 1 268.357 1.089 20 0 CDADMM CC(C)[C@H](CNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)C(=O)[O-] ZINC000655871979 414282837 /nfs/dbraw/zinc/28/28/37/414282837.db2.gz JZTMCOKEAGDDBX-WXHSDQCUSA-N -1 1 297.399 1.125 20 0 CDADMM N[C@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000043586177 175071387 /nfs/dbraw/zinc/07/13/87/175071387.db2.gz MYZRRNTVKZDGFD-WFASDCNBSA-N -1 1 290.363 1.790 20 0 CDADMM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1ccn[nH]1 ZINC000043593830 175075018 /nfs/dbraw/zinc/07/50/18/175075018.db2.gz AJADMIVFCGDPFG-GFCCVEGCSA-N -1 1 271.276 1.234 20 0 CDADMM Cc1ccc2c(CC(=O)NCc3nn[n-]n3)coc2c1 ZINC000044927439 175278052 /nfs/dbraw/zinc/27/80/52/175278052.db2.gz LDPOGJQTZNMXPD-UHFFFAOYSA-N -1 1 271.280 1.113 20 0 CDADMM O=C(NCc1nn[n-]n1)c1cc2c(s1)CCCC2 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O=C(NCC[C@@]1(O)CCCOC1)c1cc(Cl)ccc1[O-] ZINC000652944515 423923214 /nfs/dbraw/zinc/92/32/14/423923214.db2.gz RFUJRONYIGOWRC-AWEZNQCLSA-N -1 1 299.754 1.707 20 0 CDADMM C[C@@H](O)CCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001589999665 1173231032 /nfs/dbraw/zinc/23/10/32/1173231032.db2.gz USXDYVVCDANMCG-SSDOTTSWSA-N -1 1 282.735 1.488 20 0 CDADMM C[C@@H](O)CCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001589999665 1173231038 /nfs/dbraw/zinc/23/10/38/1173231038.db2.gz USXDYVVCDANMCG-SSDOTTSWSA-N -1 1 282.735 1.488 20 0 CDADMM Cc1cc(C[C@H](C)NC(=O)c2ccc(C(=O)[O-])nc2)n[nH]1 ZINC000653285320 424358797 /nfs/dbraw/zinc/35/87/97/424358797.db2.gz LEQXUQQLEBXBSL-QMMMGPOBSA-N -1 1 288.307 1.172 20 0 CDADMM COCC[N@@H+](CC(=O)[O-])Cc1ccc(Cl)c(OC)c1 ZINC000652457242 424450930 /nfs/dbraw/zinc/45/09/30/424450930.db2.gz VRMOLFWQZZQEFZ-UHFFFAOYSA-N -1 1 287.743 1.882 20 0 CDADMM CCc1cc(=O)[nH]c(CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)n1 ZINC000652496291 424494008 /nfs/dbraw/zinc/49/40/08/424494008.db2.gz 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COCCC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084935651 279249131 /nfs/dbraw/zinc/24/91/31/279249131.db2.gz QCFACALHWMBRRS-UHFFFAOYSA-N -1 1 269.322 1.748 20 0 CDADMM CC(C)c1nc(CSc2nc3[nH]ncc3c(=O)[nH]2)no1 ZINC000194346677 280034354 /nfs/dbraw/zinc/03/43/54/280034354.db2.gz QIVHHNDLHTVURR-UHFFFAOYSA-N -1 1 292.324 1.445 20 0 CDADMM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(F)cc2O)C1 ZINC000235773074 280127823 /nfs/dbraw/zinc/12/78/23/280127823.db2.gz FZYSQSGAPAGASZ-ZDUSSCGKSA-N -1 1 267.256 1.468 20 0 CDADMM CN(C(=O)c1cncc([O-])c1)[C@H]1CCCC[C@H]1O ZINC000131810747 288926844 /nfs/dbraw/zinc/92/68/44/288926844.db2.gz HHYPQHXIXBSHRG-NWDGAFQWSA-N -1 1 250.298 1.163 20 0 CDADMM CC[C@@H]1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001590506808 1173438689 /nfs/dbraw/zinc/43/86/89/1173438689.db2.gz HRGBTKMDEIJDBY-NXEZZACHSA-N -1 1 273.344 1.895 20 0 CDADMM CC[C@@H]1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001590506808 1173438697 /nfs/dbraw/zinc/43/86/97/1173438697.db2.gz HRGBTKMDEIJDBY-NXEZZACHSA-N -1 1 273.344 1.895 20 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291.359 1.400 20 0 CDADMM CCCC(O)(CCC)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001590558635 1173464080 /nfs/dbraw/zinc/46/40/80/1173464080.db2.gz FFVFAMYZNSFKKG-UHFFFAOYSA-N -1 1 291.359 1.400 20 0 CDADMM COCCO[C@@H](C)c1n[n-]c(=NC(C)(C)C)n1C1CC1 ZINC000568093017 293950610 /nfs/dbraw/zinc/95/06/10/293950610.db2.gz KIIJXBVJOMZSST-JTQLQIEISA-N -1 1 282.388 1.969 20 0 CDADMM CCCC[C@@H](C)OC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590576721 1173469647 /nfs/dbraw/zinc/46/96/47/1173469647.db2.gz DRSBMMRWTMPKHX-RKDXNWHRSA-N -1 1 293.331 1.141 20 0 CDADMM Cc1cnc(SCCOC[C@H]2CCCO2)[n-]c1=O ZINC000568416380 294036133 /nfs/dbraw/zinc/03/61/33/294036133.db2.gz WBGDCZGEOOQIFR-SNVBAGLBSA-N -1 1 270.354 1.778 20 0 CDADMM CCc1cccc(OCCN2C[C@H](OC)C[C@@H]2C(=O)[O-])c1 ZINC000568992487 294137373 /nfs/dbraw/zinc/13/73/73/294137373.db2.gz MBIGXBKUIDQFQW-HUUCEWRRSA-N -1 1 293.363 1.802 20 0 CDADMM C[C@](O)(CN1C[C@H](c2ccccc2)OCC1(C)C)C(=O)[O-] ZINC000569228474 294179175 /nfs/dbraw/zinc/17/91/75/294179175.db2.gz 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Cc1ccc(-c2nn[n-]n2)nc1N(C)CCCOC(C)C ZINC001592110194 1173801433 /nfs/dbraw/zinc/80/14/33/1173801433.db2.gz KVFVHSXGGWBAFF-UHFFFAOYSA-N -1 1 290.371 1.821 20 0 CDADMM CCOC(=O)c1cc(NC(=O)CCc2ccncc2)n[nH]1 ZINC000180940465 323224238 /nfs/dbraw/zinc/22/42/38/323224238.db2.gz CKUXCMSPDCIQKI-UHFFFAOYSA-N -1 1 288.307 1.553 20 0 CDADMM COC(=O)c1ccc([N-]C(=O)c2cc(OC)no2)c(F)c1 ZINC000183838642 323348788 /nfs/dbraw/zinc/34/87/88/323348788.db2.gz RQAMVZCUFVCRPJ-UHFFFAOYSA-N -1 1 294.238 1.861 20 0 CDADMM O=S(=O)(Cc1ccccc1F)[N-]c1cn[nH]c1 ZINC000186617841 323410612 /nfs/dbraw/zinc/41/06/12/323410612.db2.gz MVBCZAVDSPTQIX-UHFFFAOYSA-N -1 1 255.274 1.491 20 0 CDADMM COC(=O)N1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000387310379 323764848 /nfs/dbraw/zinc/76/48/48/323764848.db2.gz LCBQYVHFBHSTAD-UHFFFAOYSA-N -1 1 282.271 1.056 20 0 CDADMM CN(Cc1ncnn1CC(F)F)Cc1ncccc1[O-] ZINC000580011888 324340519 /nfs/dbraw/zinc/34/05/19/324340519.db2.gz YSNCICUHMAOWCX-UHFFFAOYSA-N -1 1 283.282 1.276 20 0 CDADMM Cc1nsc(N(C)Cc2cscn2)c1-c1nn[n-]n1 ZINC001592469464 1173899739 /nfs/dbraw/zinc/89/97/39/1173899739.db2.gz SUUMDBWUBGIZFY-UHFFFAOYSA-N -1 1 293.381 1.725 20 0 CDADMM Cc1nsc(NCC[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC001592489963 1173902812 /nfs/dbraw/zinc/90/28/12/1173902812.db2.gz CLVGQLIESPOARV-MRVPVSSYSA-N -1 1 280.357 1.470 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CC[C@@H](C)C1 ZINC001592499605 1173904671 /nfs/dbraw/zinc/90/46/71/1173904671.db2.gz PVFNJBSBOCQFMH-VXNVDRBHSA-N -1 1 275.312 1.687 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CC[C@@H](C)C1 ZINC001592499605 1173904673 /nfs/dbraw/zinc/90/46/73/1173904673.db2.gz PVFNJBSBOCQFMH-VXNVDRBHSA-N -1 1 275.312 1.687 20 0 CDADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCC(C)(C)C1CC1 ZINC000584220700 327066085 /nfs/dbraw/zinc/06/60/85/327066085.db2.gz SEXLJWAVHHAYGQ-UHFFFAOYSA-N -1 1 295.339 1.453 20 0 CDADMM C[C@@H](/C=C/C(=O)[O-])NC(=O)c1sccc1CN(C)C ZINC001604060707 1175740219 /nfs/dbraw/zinc/74/02/19/1175740219.db2.gz 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482813386 /nfs/dbraw/zinc/81/33/86/482813386.db2.gz IGBONPKTRLCQTQ-LBPRGKRZSA-N -1 1 282.307 1.058 20 0 CDADMM C[C@@H](C(=O)Nc1nc(SCCO)n[nH]1)c1ccco1 ZINC000677912699 482838122 /nfs/dbraw/zinc/83/81/22/482838122.db2.gz XCOOREOZSXLAAJ-SSDOTTSWSA-N -1 1 282.325 1.224 20 0 CDADMM Cc1cc(CC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)no1 ZINC000670383463 482871289 /nfs/dbraw/zinc/87/12/89/482871289.db2.gz OXKLLKWZTBKKPY-SECBINFHSA-N -1 1 292.295 1.020 20 0 CDADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CC[C@@H]2CCC[C@H]21 ZINC000681708328 482970467 /nfs/dbraw/zinc/97/04/67/482970467.db2.gz FWIUDZZCCSGEGT-GXFFZTMASA-N -1 1 283.331 1.938 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@@H](N2CCCC2=O)C1 ZINC000682956045 482983005 /nfs/dbraw/zinc/98/30/05/482983005.db2.gz HQYLMTHXIYMUKT-LLVKDONJSA-N -1 1 292.310 1.368 20 0 CDADMM CCn1cnnc1CCNC(=O)c1c(F)ccc([O-])c1F ZINC000685433744 483124691 /nfs/dbraw/zinc/12/46/91/483124691.db2.gz WNBPPHLPJZVWSW-UHFFFAOYSA-N -1 1 296.277 1.254 20 0 CDADMM O=C(NCC1(CO)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000678965456 483235078 /nfs/dbraw/zinc/23/50/78/483235078.db2.gz YIXCSAQROXIFOT-UHFFFAOYSA-N -1 1 289.253 1.913 20 0 CDADMM O=S(=O)([N-]CC1(CO)CC1)c1cc(Cl)ccc1F ZINC000671176075 483291110 /nfs/dbraw/zinc/29/11/10/483291110.db2.gz PJUUHLMHSZZNOO-UHFFFAOYSA-N -1 1 293.747 1.530 20 0 CDADMM C[C@H](c1ccccc1)[C@@H](CO)NC(=O)c1cncc([O-])c1 ZINC000679270625 483320263 /nfs/dbraw/zinc/32/02/63/483320263.db2.gz DCQNWFOWYAPFMD-IAQYHMDHSA-N -1 1 286.331 1.682 20 0 CDADMM CC1N=NC(C(=O)Nc2cccc(N(C)C)n2)=C1[O-] ZINC000679830091 483443871 /nfs/dbraw/zinc/44/38/71/483443871.db2.gz FMNXPAZKXWRUBD-UHFFFAOYSA-N -1 1 261.285 1.137 20 0 CDADMM Cc1nn(C)c2ncc(NC(=O)c3n[nH]c(C)c3[O-])cc12 ZINC000676629853 483542934 /nfs/dbraw/zinc/54/29/34/483542934.db2.gz BTMVJDPWORYJBV-UHFFFAOYSA-N -1 1 286.295 1.266 20 0 CDADMM C[C@]1(CO)CCN(Cc2cc(Cl)ncc2[O-])C[C@@H]1O ZINC001233032688 1161061280 /nfs/dbraw/zinc/06/12/80/1161061280.db2.gz PNOXARHTGVIZGY-WCQYABFASA-N -1 1 286.759 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c1cnc(-c2nnn[n-]2)c(NCCC2=CCCCC2)n1 ZINC000735399066 575463484 /nfs/dbraw/zinc/46/34/84/575463484.db2.gz IBVRGVBWXDDBGC-UHFFFAOYSA-N -1 1 271.328 1.959 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCCC2=CCCCC2)n1 ZINC000735399066 575463487 /nfs/dbraw/zinc/46/34/87/575463487.db2.gz IBVRGVBWXDDBGC-UHFFFAOYSA-N -1 1 271.328 1.959 20 0 CDADMM C[C@H]1C[C@H](C)CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736226680 575594482 /nfs/dbraw/zinc/59/44/82/575594482.db2.gz XOEASZWEHVUABU-UWVGGRQHSA-N -1 1 286.339 1.380 20 0 CDADMM C[C@H]1C[C@H](C)CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736226680 575594484 /nfs/dbraw/zinc/59/44/84/575594484.db2.gz XOEASZWEHVUABU-UWVGGRQHSA-N -1 1 286.339 1.380 20 0 CDADMM C[C@@H]1C[C@H](C)CN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736231283 575595246 /nfs/dbraw/zinc/59/52/46/575595246.db2.gz WUHVWDWBUHPJKH-DTWKUNHWSA-N -1 1 272.312 1.132 20 0 CDADMM C[C@@H]1C[C@H](C)CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736231283 575595249 /nfs/dbraw/zinc/59/52/49/575595249.db2.gz WUHVWDWBUHPJKH-DTWKUNHWSA-N 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576051686 /nfs/dbraw/zinc/05/16/86/576051686.db2.gz VXXBELBPSIVEKW-UHFFFAOYSA-N -1 1 282.263 1.014 20 0 CDADMM O=C(OCc1ccccn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738235721 576051689 /nfs/dbraw/zinc/05/16/89/576051689.db2.gz VXXBELBPSIVEKW-UHFFFAOYSA-N -1 1 282.263 1.014 20 0 CDADMM O=C(OCc1nn[n-]n1)C1(c2ccccc2F)CC1 ZINC000738245620 576053223 /nfs/dbraw/zinc/05/32/23/576053223.db2.gz VETKYQNXNQARRZ-UHFFFAOYSA-N -1 1 262.244 1.114 20 0 CDADMM Cc1[nH]ncc1C(=O)N(C)c1nc(CC(=O)[O-])cs1 ZINC000738249633 576053792 /nfs/dbraw/zinc/05/37/92/576053792.db2.gz WQFUSYMVQMPKLI-UHFFFAOYSA-N -1 1 280.309 1.078 20 0 CDADMM O[C@@H]1CCC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000738388814 576067158 /nfs/dbraw/zinc/06/71/58/576067158.db2.gz GQVVCDABLXTIGN-JGVFFNPUSA-N -1 1 294.746 1.631 20 0 CDADMM O[C@@H]1CCC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000738388814 576067159 /nfs/dbraw/zinc/06/71/59/576067159.db2.gz GQVVCDABLXTIGN-JGVFFNPUSA-N -1 1 294.746 1.631 20 0 CDADMM Cc1cc(NC(=O)CN(C[C@H](C)C(=O)[O-])C2CC2)on1 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CDADMM COCC(C)(C)C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000756382256 576988037 /nfs/dbraw/zinc/98/80/37/576988037.db2.gz IMIBCTPJMMSUIX-UHFFFAOYSA-N -1 1 293.319 1.159 20 0 CDADMM CC(C)[C@H](C[N-]C(=O)C(F)(F)F)N1CCOCC1 ZINC000750603590 576996813 /nfs/dbraw/zinc/99/68/13/576996813.db2.gz RUHRKZZESAPMOO-VIFPVBQESA-N -1 1 268.279 1.022 20 0 CDADMM CC[C@](C)([N-]C(=O)C(F)(F)c1nccs1)C(=O)OC ZINC000756677330 576999590 /nfs/dbraw/zinc/99/95/90/576999590.db2.gz IZXAJPPKIXCIRV-JTQLQIEISA-N -1 1 292.307 1.693 20 0 CDADMM O=C([O-])CC1CCN(CC[S@](=O)C(F)(F)F)CC1 ZINC001601956689 1175086612 /nfs/dbraw/zinc/08/66/12/1175086612.db2.gz DLMSQVFSNYVHHY-SFHVURJKSA-N -1 1 287.303 1.442 20 0 CDADMM CC(C)C[C@H](CO)Nc1cccc(-c2nnn[n-]2)n1 ZINC000095199030 599103522 /nfs/dbraw/zinc/10/35/22/599103522.db2.gz FRCAFWPJXUSBGO-SECBINFHSA-N -1 1 262.317 1.081 20 0 CDADMM CC(C)C[C@H](CO)Nc1cccc(-c2nn[n-]n2)n1 ZINC000095199030 599103523 /nfs/dbraw/zinc/10/35/23/599103523.db2.gz FRCAFWPJXUSBGO-SECBINFHSA-N -1 1 262.317 1.081 20 0 CDADMM O=C([O-])c1cc(CNCc2cccc3c2OCC3)c[nH]1 ZINC001602261305 1175188011 /nfs/dbraw/zinc/18/80/11/1175188011.db2.gz QJRBJNPRYNFBRN-UHFFFAOYSA-N -1 1 272.304 1.938 20 0 CDADMM Cc1cc(CN2CCC[C@@H](CC(=O)[O-])C2)nn1C ZINC000257680629 597255300 /nfs/dbraw/zinc/25/53/00/597255300.db2.gz POBSONXSSPICDJ-NSHDSACASA-N -1 1 251.330 1.415 20 0 CDADMM CCN(CC(=O)Nc1ccccc1CC(=O)[O-])C1CC1 ZINC000820332965 597371319 /nfs/dbraw/zinc/37/13/19/597371319.db2.gz OJHDLUFZYWIQTJ-UHFFFAOYSA-N -1 1 276.336 1.737 20 0 CDADMM NC(=O)c1csc(CNCc2cccc(C(=O)[O-])c2)c1 ZINC000821357647 598194194 /nfs/dbraw/zinc/19/41/94/598194194.db2.gz ZOJCHKWYHBFMBI-UHFFFAOYSA-N -1 1 290.344 1.835 20 0 CDADMM O=C([O-])[C@@H]1CCN(CN2CC3(CCCC3)OC2=O)C1 ZINC000821511674 598208483 /nfs/dbraw/zinc/20/84/83/598208483.db2.gz PHLMUJYCWABCRA-SNVBAGLBSA-N -1 1 268.313 1.115 20 0 CDADMM CCN(CC(=O)N(C)C)Cc1cccc(C(=O)[O-])c1 ZINC000049024498 598210583 /nfs/dbraw/zinc/21/05/83/598210583.db2.gz KQNGANYVHSYSLH-UHFFFAOYSA-N -1 1 264.325 1.295 20 0 CDADMM C[C@H](NC(=O)Nc1ccccc1C(=O)[O-])c1nnc[nH]1 ZINC000230434111 598212528 /nfs/dbraw/zinc/21/25/28/598212528.db2.gz VWKKVFVWABVVAU-ZETCQYMHSA-N -1 1 275.268 1.386 20 0 CDADMM c1ccc2c(c1)CCN2c1nccnc1-c1nnn[n-]1 ZINC000095169582 598335657 /nfs/dbraw/zinc/33/56/57/598335657.db2.gz WMHMNLGGIPCEKL-UHFFFAOYSA-N -1 1 265.280 1.351 20 0 CDADMM c1ccc2c(c1)CCN2c1nccnc1-c1nn[n-]n1 ZINC000095169582 598335660 /nfs/dbraw/zinc/33/56/60/598335660.db2.gz WMHMNLGGIPCEKL-UHFFFAOYSA-N -1 1 265.280 1.351 20 0 CDADMM c1cc(Nc2cnc(-c3nnn[n-]3)cn2)cc2c1CCC2 ZINC000095165728 598383360 /nfs/dbraw/zinc/38/33/60/598383360.db2.gz HLEDAWNBVCNXNN-UHFFFAOYSA-N -1 1 279.307 1.889 20 0 CDADMM c1cc(Nc2cnc(-c3nn[n-]n3)cn2)cc2c1CCC2 ZINC000095165728 598383362 /nfs/dbraw/zinc/38/33/62/598383362.db2.gz HLEDAWNBVCNXNN-UHFFFAOYSA-N -1 1 279.307 1.889 20 0 CDADMM Fc1cccc(Oc2cnc(-c3nnn[n-]3)cn2)c1 ZINC000095144440 598383561 /nfs/dbraw/zinc/38/35/61/598383561.db2.gz MMAZAVRRAGJWEH-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM Fc1cccc(Oc2cnc(-c3nn[n-]n3)cn2)c1 ZINC000095144440 598383563 /nfs/dbraw/zinc/38/35/63/598383563.db2.gz MMAZAVRRAGJWEH-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM CCCN(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000095171257 598576914 /nfs/dbraw/zinc/57/69/14/598576914.db2.gz UOHNUKBBROCYNN-UHFFFAOYSA-N -1 1 252.709 1.761 20 0 CDADMM CCCN(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000095171257 598576916 /nfs/dbraw/zinc/57/69/16/598576916.db2.gz UOHNUKBBROCYNN-UHFFFAOYSA-N -1 1 252.709 1.761 20 0 CDADMM c1coc(CCNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000095147443 599396716 /nfs/dbraw/zinc/39/67/16/599396716.db2.gz BGEDJNRCJPRDCQ-UHFFFAOYSA-N -1 1 256.269 1.509 20 0 CDADMM c1coc(CCNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000095147443 599396718 /nfs/dbraw/zinc/39/67/18/599396718.db2.gz BGEDJNRCJPRDCQ-UHFFFAOYSA-N -1 1 256.269 1.509 20 0 CDADMM CC(C)n1ccc(CNCc2ccc(-c3nnn[n-]3)o2)n1 ZINC000820215056 599443770 /nfs/dbraw/zinc/44/37/70/599443770.db2.gz RBEUKQGNNYACLV-UHFFFAOYSA-N -1 1 287.327 1.527 20 0 CDADMM CC(C)n1ccc(CNCc2ccc(-c3nn[n-]n3)o2)n1 ZINC000820215056 599443772 /nfs/dbraw/zinc/44/37/72/599443772.db2.gz RBEUKQGNNYACLV-UHFFFAOYSA-N -1 1 287.327 1.527 20 0 CDADMM CC[C@H](CCO)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820901990 599569089 /nfs/dbraw/zinc/56/90/89/599569089.db2.gz GYGCHSOQOFNPHM-SNVBAGLBSA-N -1 1 298.350 1.988 20 0 CDADMM CC[C@H](CCO)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820901990 599569092 /nfs/dbraw/zinc/56/90/92/599569092.db2.gz GYGCHSOQOFNPHM-SNVBAGLBSA-N -1 1 298.350 1.988 20 0 CDADMM Cc1ccc(NC(=O)CNC(C)(C)C(=O)[O-])c(C)c1 ZINC000087626180 599927421 /nfs/dbraw/zinc/92/74/21/599927421.db2.gz VLXUSIZKRQXBMY-UHFFFAOYSA-N -1 1 264.325 1.695 20 0 CDADMM O=C([O-])[C@H]1CC12CCN(Cc1nnc3n1CCCC3)CC2 ZINC000405364174 600286733 /nfs/dbraw/zinc/28/67/33/600286733.db2.gz HOQFUZHZACLVBW-LLVKDONJSA-N -1 1 290.367 1.301 20 0 CDADMM C[C@H]1CN2CCCC[C@H]2CN1C(=O)NCCCCC(=O)[O-] ZINC000251927389 600330530 /nfs/dbraw/zinc/33/05/30/600330530.db2.gz YKVBWPYTFBZDIQ-STQMWFEESA-N -1 1 297.399 1.510 20 0 CDADMM CN(C)CC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000830596446 600813740 /nfs/dbraw/zinc/81/37/40/600813740.db2.gz NHVUPNSOZWJHHD-LLVKDONJSA-N -1 1 284.743 1.534 20 0 CDADMM CN1CCCN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000111470166 600870004 /nfs/dbraw/zinc/87/00/04/600870004.db2.gz POKCHIJJFSTVCK-RYUDHWBXSA-N -1 1 268.357 1.042 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCN3CCCC[C@H]3C2)C1 ZINC000250832565 600913806 /nfs/dbraw/zinc/91/38/06/600913806.db2.gz JPYUMHZFSBJCEJ-MCIONIFRSA-N -1 1 294.395 1.574 20 0 CDADMM CNC(=O)Cc1nc(CN(CCC(=O)[O-])C(C)C)cs1 ZINC000830997270 601055338 /nfs/dbraw/zinc/05/53/38/601055338.db2.gz UPCYBEXMIJNAFM-UHFFFAOYSA-N -1 1 299.396 1.117 20 0 CDADMM CCCc1n[nH]c([C@H]2CN(C/C=C(/C)C(=O)[O-])CCO2)n1 ZINC000829571951 601177916 /nfs/dbraw/zinc/17/79/16/601177916.db2.gz ZNDXBOZOZBQZCP-GULOHRGCSA-N -1 1 294.355 1.161 20 0 CDADMM CCCc1nnc([C@H]2CN(C/C=C(/C)C(=O)[O-])CCO2)[nH]1 ZINC000829571951 601177918 /nfs/dbraw/zinc/17/79/18/601177918.db2.gz ZNDXBOZOZBQZCP-GULOHRGCSA-N -1 1 294.355 1.161 20 0 CDADMM CC1(C)C(=O)N(CN2CCC(CC(=O)[O-])CC2)C1(C)C ZINC000828042027 601227826 /nfs/dbraw/zinc/22/78/26/601227826.db2.gz LUBIVDLPLAJOON-UHFFFAOYSA-N -1 1 282.384 1.778 20 0 CDADMM O=C([O-])c1cn(CC(=O)NCc2cnc[nH]2)c2ccccc12 ZINC000833120149 601438216 /nfs/dbraw/zinc/43/82/16/601438216.db2.gz QEEJMOJNPBAGQB-UHFFFAOYSA-N -1 1 298.302 1.379 20 0 CDADMM O=C([O-])[C@@]1(F)CCN(CCC(=O)Nc2ccccc2F)C1 ZINC000833100130 601439194 /nfs/dbraw/zinc/43/91/94/601439194.db2.gz PTMRMSLXSJKYRV-CQSZACIVSA-N -1 1 298.289 1.653 20 0 CDADMM O=C([O-])[C@]1(F)CCN(CCOc2cccc(F)c2)C1 ZINC000833174837 601447642 /nfs/dbraw/zinc/44/76/42/601447642.db2.gz KAJNKFVRBDJHFA-ZDUSSCGKSA-N -1 1 271.263 1.703 20 0 CDADMM C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cn2)C[C@H]1C(=O)[O-] ZINC000828441848 601528668 /nfs/dbraw/zinc/52/86/68/601528668.db2.gz UJJOKVVRTOHENB-PSASIEDQSA-N -1 1 297.742 1.326 20 0 CDADMM CCc1noc(CNC(CC)(CC)CC(=O)[O-])n1 ZINC000830350612 601633965 /nfs/dbraw/zinc/63/39/65/601633965.db2.gz JZHZILFWJCYJJN-UHFFFAOYSA-N -1 1 255.318 1.755 20 0 CDADMM Cc1ncc(CN2CCC(CCC(=O)[O-])CC2)cn1 ZINC000257638770 601843404 /nfs/dbraw/zinc/84/34/04/601843404.db2.gz ARTLGQXDDGTCQE-UHFFFAOYSA-N -1 1 263.341 1.862 20 0 CDADMM C[C@@H](SCc1ccnc(-c2nnn[n-]2)c1)[C@H](C)O ZINC000824678202 607550167 /nfs/dbraw/zinc/55/01/67/607550167.db2.gz LYJWYKDUHBUWJR-JGVFFNPUSA-N -1 1 265.342 1.264 20 0 CDADMM C[C@@H](SCc1ccnc(-c2nn[n-]n2)c1)[C@H](C)O ZINC000824678202 607550169 /nfs/dbraw/zinc/55/01/69/607550169.db2.gz LYJWYKDUHBUWJR-JGVFFNPUSA-N -1 1 265.342 1.264 20 0 CDADMM C[C@@H](CC(=O)[O-])C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000827316904 602142125 /nfs/dbraw/zinc/14/21/25/602142125.db2.gz FYSIYDROVWHKFH-VIFPVBQESA-N -1 1 274.280 1.317 20 0 CDADMM CC[C@@H](C)[C@@H](NC(=O)CN1CCC2(CCC2)C1)C(=O)[O-] ZINC000828720121 602239717 /nfs/dbraw/zinc/23/97/17/602239717.db2.gz UXOLBHLSEBICMC-DGCLKSJQSA-N -1 1 282.384 1.478 20 0 CDADMM CCc1cc(CNC(=O)Nc2cc(C(=O)[O-])n(C)c2)n[nH]1 ZINC000830218779 602372336 /nfs/dbraw/zinc/37/23/36/602372336.db2.gz OJGRRQVXCCUSJQ-UHFFFAOYSA-N -1 1 291.311 1.331 20 0 CDADMM CC[C@@H](C(=O)Nc1cc(C(=O)[O-])cs1)N(C)C ZINC000828587593 604314603 /nfs/dbraw/zinc/31/46/03/604314603.db2.gz UYKHVMZVGABOKE-QMMMGPOBSA-N -1 1 256.327 1.725 20 0 CDADMM COc1cccc2cc(CNC3CN(C(=O)[O-])C3)oc21 ZINC000829580107 604419809 /nfs/dbraw/zinc/41/98/09/604419809.db2.gz GSWYJVOEDMFOBU-UHFFFAOYSA-N -1 1 276.292 1.893 20 0 CDADMM CC1(C)CCC(CN2CCNC(=O)[C@H]2CC(=O)[O-])CC1 ZINC000312775497 604516744 /nfs/dbraw/zinc/51/67/44/604516744.db2.gz OVIMBKBFHAYMCK-GFCCVEGCSA-N -1 1 282.384 1.478 20 0 CDADMM COC[C@](C)(CC(=O)[O-])NCc1csc(C2CC2)n1 ZINC000833722122 604766649 /nfs/dbraw/zinc/76/66/49/604766649.db2.gz KCCNXAKONJFXNM-ZDUSSCGKSA-N -1 1 284.381 1.990 20 0 CDADMM C[C@@H]1[C@@H](C)N(C(=O)c2ccc(C(=O)[O-])cc2)CCN1C ZINC000820221442 604837847 /nfs/dbraw/zinc/83/78/47/604837847.db2.gz PSZSENMDYGDHMU-GHMZBOCLSA-N -1 1 276.336 1.549 20 0 CDADMM O=C([O-])[C@@H](O)C1CCN(C[C@H](O)c2cccc(F)c2)CC1 ZINC000833771160 604987361 /nfs/dbraw/zinc/98/73/61/604987361.db2.gz WVTMHSNTWBERCD-KBPBESRZSA-N -1 1 297.326 1.017 20 0 CDADMM CC(=O)NC1CCN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000833396401 604989580 /nfs/dbraw/zinc/98/95/80/604989580.db2.gz JEZJGXGBNFDQHZ-JTQLQIEISA-N -1 1 294.351 1.948 20 0 CDADMM C[C@@H](C(=O)[O-])N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000261988666 605018464 /nfs/dbraw/zinc/01/84/64/605018464.db2.gz XORRPCKGXTXBPB-YUMQZZPRSA-N -1 1 254.252 1.028 20 0 CDADMM C[C@@H]1CC[C@@]2(CCN(Cn3cnc(C(=O)[O-])n3)C2)C1 ZINC000833609314 605060607 /nfs/dbraw/zinc/06/06/07/605060607.db2.gz DXDILICFPSBFTP-ZWNOBZJWSA-N -1 1 264.329 1.446 20 0 CDADMM CC(C)[C@H](C)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833468740 605101976 /nfs/dbraw/zinc/10/19/76/605101976.db2.gz KCBWDQSRWCABCC-NEPJUHHUSA-N -1 1 270.373 1.286 20 0 CDADMM CC(C)[C@@H]1CN(C)CCN1C(=O)CC(C)(C)CC(=O)[O-] ZINC000833471037 605112545 /nfs/dbraw/zinc/11/25/45/605112545.db2.gz HQTJSKFSVPOEFM-LBPRGKRZSA-N -1 1 284.400 1.676 20 0 CDADMM CCN1C[C@H](C)N(C(=O)c2cccc(C(=O)[O-])n2)C[C@@H]1C ZINC000833658381 605134053 /nfs/dbraw/zinc/13/40/53/605134053.db2.gz SCUANPSBHOKBFX-QWRGUYRKSA-N -1 1 291.351 1.335 20 0 CDADMM O=C([O-])NCC(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000833777368 605137213 /nfs/dbraw/zinc/13/72/13/605137213.db2.gz ONFJCAMUHGPLIG-SNVBAGLBSA-N -1 1 282.296 1.055 20 0 CDADMM C[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)CCN1CCC(=O)[O-] ZINC000833625453 605254861 /nfs/dbraw/zinc/25/48/61/605254861.db2.gz XZVZPEMPUWFCDU-SECBINFHSA-N -1 1 299.758 1.289 20 0 CDADMM C[C@H]1CN(C)C[C@H](C)N1C(=O)Cc1ccccc1C(=O)[O-] ZINC000833619164 605264963 /nfs/dbraw/zinc/26/49/63/605264963.db2.gz BBAYTGQSZRZDFV-RYUDHWBXSA-N -1 1 290.363 1.478 20 0 CDADMM O=c1nc(N[C@H]2CCC[C@H]2CCO)cc(Cl)[n-]1 ZINC000858492201 617191536 /nfs/dbraw/zinc/19/15/36/617191536.db2.gz URWSMGJKLXHBSC-YUMQZZPRSA-N -1 1 257.721 1.799 20 0 CDADMM Oc1cccc2c1CC[C@@H]2Nc1nccnc1-c1nnn[n-]1 ZINC000823732165 606063062 /nfs/dbraw/zinc/06/30/62/606063062.db2.gz IMVQOYQCPAPHLQ-JTQLQIEISA-N -1 1 295.306 1.462 20 0 CDADMM Oc1cccc2c1CC[C@@H]2Nc1nccnc1-c1nn[n-]n1 ZINC000823732165 606063068 /nfs/dbraw/zinc/06/30/68/606063068.db2.gz IMVQOYQCPAPHLQ-JTQLQIEISA-N -1 1 295.306 1.462 20 0 CDADMM c1ccc(COCCNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000823787308 606143221 /nfs/dbraw/zinc/14/32/21/606143221.db2.gz LDANFILEQGVAQF-UHFFFAOYSA-N -1 1 296.334 1.890 20 0 CDADMM c1ccc(COCCNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000823787308 606143222 /nfs/dbraw/zinc/14/32/22/606143222.db2.gz LDANFILEQGVAQF-UHFFFAOYSA-N -1 1 296.334 1.890 20 0 CDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)C ZINC000095193742 606187291 /nfs/dbraw/zinc/18/72/91/606187291.db2.gz IRDPLNUKOYKWNW-UHFFFAOYSA-N -1 1 286.295 1.261 20 0 CDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)C ZINC000095193742 606187292 /nfs/dbraw/zinc/18/72/92/606187292.db2.gz IRDPLNUKOYKWNW-UHFFFAOYSA-N -1 1 286.295 1.261 20 0 CDADMM Cc1nsc(N(C)C(=O)C(C)C)c1-c1nnn[n-]1 ZINC000822530541 606237113 /nfs/dbraw/zinc/23/71/13/606237113.db2.gz GJTFVTHWFRADNH-UHFFFAOYSA-N -1 1 266.330 1.250 20 0 CDADMM Cc1nsc(N(C)C(=O)C(C)C)c1-c1nn[n-]n1 ZINC000822530541 606237114 /nfs/dbraw/zinc/23/71/14/606237114.db2.gz GJTFVTHWFRADNH-UHFFFAOYSA-N -1 1 266.330 1.250 20 0 CDADMM CN(CC(C)(C)O)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821595277 606466488 /nfs/dbraw/zinc/46/64/88/606466488.db2.gz RJNMNYCIDFFFQM-UHFFFAOYSA-N -1 1 282.735 1.122 20 0 CDADMM CN(CC(C)(C)O)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821595277 606466489 /nfs/dbraw/zinc/46/64/89/606466489.db2.gz RJNMNYCIDFFFQM-UHFFFAOYSA-N -1 1 282.735 1.122 20 0 CDADMM Cc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1F ZINC000822226434 606532347 /nfs/dbraw/zinc/53/23/47/606532347.db2.gz RYXIMKWREGKKNY-UHFFFAOYSA-N -1 1 287.258 1.290 20 0 CDADMM Cc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1F ZINC000822226434 606532348 /nfs/dbraw/zinc/53/23/48/606532348.db2.gz RYXIMKWREGKKNY-UHFFFAOYSA-N -1 1 287.258 1.290 20 0 CDADMM CC[C@@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821002319 606565157 /nfs/dbraw/zinc/56/51/57/606565157.db2.gz VRXGHNHIIQFDDN-MRVPVSSYSA-N -1 1 293.352 1.179 20 0 CDADMM CC[C@@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821002319 606565159 /nfs/dbraw/zinc/56/51/59/606565159.db2.gz VRXGHNHIIQFDDN-MRVPVSSYSA-N -1 1 293.352 1.179 20 0 CDADMM CC=CC=CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820833385 606648725 /nfs/dbraw/zinc/64/87/25/606648725.db2.gz WRBCHYVTDDSELV-IAROGAJJSA-N -1 1 271.280 1.437 20 0 CDADMM CC=CC=CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820833385 606648726 /nfs/dbraw/zinc/64/87/26/606648726.db2.gz WRBCHYVTDDSELV-IAROGAJJSA-N -1 1 271.280 1.437 20 0 CDADMM Cc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)o1 ZINC000822227689 606650438 /nfs/dbraw/zinc/65/04/38/606650438.db2.gz RNPHIHGPQSNBPS-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)o1 ZINC000822227689 606650437 /nfs/dbraw/zinc/65/04/37/606650437.db2.gz RNPHIHGPQSNBPS-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM CC1(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CCCC1 ZINC000820578260 606652602 /nfs/dbraw/zinc/65/26/02/606652602.db2.gz ZRTLJBWCYLOHRQ-UHFFFAOYSA-N -1 1 287.323 1.885 20 0 CDADMM CC1(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CCCC1 ZINC000820578260 606652601 /nfs/dbraw/zinc/65/26/01/606652601.db2.gz ZRTLJBWCYLOHRQ-UHFFFAOYSA-N -1 1 287.323 1.885 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@@H]2CCC[C@H]3OCC[C@H]32)n1 ZINC000823809675 606730083 /nfs/dbraw/zinc/73/00/83/606730083.db2.gz PIVPHHIJVGRKNC-IVZWLZJFSA-N -1 1 287.327 1.026 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@@H]2CCC[C@H]3OCC[C@H]32)n1 ZINC000823809675 606730084 /nfs/dbraw/zinc/73/00/84/606730084.db2.gz PIVPHHIJVGRKNC-IVZWLZJFSA-N -1 1 287.327 1.026 20 0 CDADMM CC(C)(C)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000095138822 607107427 /nfs/dbraw/zinc/10/74/27/607107427.db2.gz MNYAFTNXYWQPLE-UHFFFAOYSA-N -1 1 252.303 1.308 20 0 CDADMM CC(C)(C)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000095138822 607107429 /nfs/dbraw/zinc/10/74/29/607107429.db2.gz MNYAFTNXYWQPLE-UHFFFAOYSA-N -1 1 252.303 1.308 20 0 CDADMM COCCCCC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821686871 607108218 /nfs/dbraw/zinc/10/82/18/607108218.db2.gz CVNMWWPRZCLIKZ-UHFFFAOYSA-N -1 1 282.329 1.078 20 0 CDADMM COCCCCC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821686871 607108220 /nfs/dbraw/zinc/10/82/20/607108220.db2.gz CVNMWWPRZCLIKZ-UHFFFAOYSA-N -1 1 282.329 1.078 20 0 CDADMM NC(=O)c1ccc(Oc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000095163562 607894136 /nfs/dbraw/zinc/89/41/36/607894136.db2.gz YDXMSABDSKCWOC-UHFFFAOYSA-N -1 1 282.263 1.153 20 0 CDADMM NC(=O)c1ccc(Oc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000095163562 607894137 /nfs/dbraw/zinc/89/41/37/607894137.db2.gz YDXMSABDSKCWOC-UHFFFAOYSA-N -1 1 282.263 1.153 20 0 CDADMM CCOC(=O)C[C@@H](C)Sc1cccc(-c2nnn[n-]2)n1 ZINC000825505981 607899820 /nfs/dbraw/zinc/89/98/20/607899820.db2.gz AUVJJIOMNJBOMB-MRVPVSSYSA-N -1 1 293.352 1.696 20 0 CDADMM CCOC(=O)C[C@@H](C)Sc1cccc(-c2nn[n-]n2)n1 ZINC000825505981 607899821 /nfs/dbraw/zinc/89/98/21/607899821.db2.gz AUVJJIOMNJBOMB-MRVPVSSYSA-N -1 1 293.352 1.696 20 0 CDADMM CCOC(=O)C[C@@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000825499916 607902059 /nfs/dbraw/zinc/90/20/59/607902059.db2.gz XQGUCWWSTIILMO-MRVPVSSYSA-N -1 1 276.300 1.015 20 0 CDADMM CCOC(=O)C[C@@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000825499916 607902060 /nfs/dbraw/zinc/90/20/60/607902060.db2.gz XQGUCWWSTIILMO-MRVPVSSYSA-N -1 1 276.300 1.015 20 0 CDADMM CC[C@@](C)(CCO)Nc1cccc(-c2nnn[n-]2)n1 ZINC000825044910 607902244 /nfs/dbraw/zinc/90/22/44/607902244.db2.gz VNJPPTFPEQQZDS-LBPRGKRZSA-N -1 1 262.317 1.225 20 0 CDADMM CC[C@@](C)(CCO)Nc1cccc(-c2nn[n-]n2)n1 ZINC000825044910 607902245 /nfs/dbraw/zinc/90/22/45/607902245.db2.gz VNJPPTFPEQQZDS-LBPRGKRZSA-N -1 1 262.317 1.225 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2[C@H]3C=CC[C@@H]2CC3)c1 ZINC000823867492 607902722 /nfs/dbraw/zinc/90/27/22/607902722.db2.gz AXVGCKIUYRAMJL-VHSXEESVSA-N -1 1 254.297 1.559 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2[C@H]3C=CC[C@@H]2CC3)c1 ZINC000823867492 607902723 /nfs/dbraw/zinc/90/27/23/607902723.db2.gz AXVGCKIUYRAMJL-VHSXEESVSA-N -1 1 254.297 1.559 20 0 CDADMM CCOc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000825642865 607987085 /nfs/dbraw/zinc/98/70/85/607987085.db2.gz CKSUQAWDGVDYOP-UHFFFAOYSA-N -1 1 283.295 1.799 20 0 CDADMM CCOc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000825642865 607987084 /nfs/dbraw/zinc/98/70/84/607987084.db2.gz CKSUQAWDGVDYOP-UHFFFAOYSA-N -1 1 283.295 1.799 20 0 CDADMM c1cn(Cc2cc(-c3ccccc3)on2)c(-c2nnn[n-]2)n1 ZINC000826518987 608013942 /nfs/dbraw/zinc/01/39/42/608013942.db2.gz FTMOEVQTDMDXQG-UHFFFAOYSA-N -1 1 293.290 1.767 20 0 CDADMM c1cn(Cc2cc(-c3ccccc3)on2)c(-c2nn[n-]n2)n1 ZINC000826518987 608013943 /nfs/dbraw/zinc/01/39/43/608013943.db2.gz FTMOEVQTDMDXQG-UHFFFAOYSA-N -1 1 293.290 1.767 20 0 CDADMM O=C(OC1CCOCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000826462562 608188929 /nfs/dbraw/zinc/18/89/29/608188929.db2.gz BCHVUQUFQYMVJI-UHFFFAOYSA-N -1 1 280.309 1.264 20 0 CDADMM O=C(OC1CCOCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000826462562 608188931 /nfs/dbraw/zinc/18/89/31/608188931.db2.gz BCHVUQUFQYMVJI-UHFFFAOYSA-N -1 1 280.309 1.264 20 0 CDADMM C[C@@H](c1cccs1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824770151 608399111 /nfs/dbraw/zinc/39/91/11/608399111.db2.gz FPKNSUJCTPEMQR-QMMMGPOBSA-N -1 1 287.352 1.916 20 0 CDADMM C[C@@H](c1cccs1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824770151 608399113 /nfs/dbraw/zinc/39/91/13/608399113.db2.gz FPKNSUJCTPEMQR-QMMMGPOBSA-N -1 1 287.352 1.916 20 0 CDADMM c1cc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)ccn1 ZINC000826514976 608399515 /nfs/dbraw/zinc/39/95/15/608399515.db2.gz JBMYTWCAHGYDGF-GFCCVEGCSA-N -1 1 294.322 1.393 20 0 CDADMM c1cc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)ccn1 ZINC000826514976 608399516 /nfs/dbraw/zinc/39/95/16/608399516.db2.gz JBMYTWCAHGYDGF-GFCCVEGCSA-N -1 1 294.322 1.393 20 0 CDADMM C[C@H](Cc1ccccc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824457023 608402485 /nfs/dbraw/zinc/40/24/85/608402485.db2.gz COTKEEPREYITPV-SECBINFHSA-N -1 1 299.313 1.839 20 0 CDADMM C[C@H](Cc1ccccc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824457023 608402486 /nfs/dbraw/zinc/40/24/86/608402486.db2.gz COTKEEPREYITPV-SECBINFHSA-N -1 1 299.313 1.839 20 0 CDADMM C[C@@H](O)c1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824705439 608402512 /nfs/dbraw/zinc/40/25/12/608402512.db2.gz ASCPLVUDAQRJAW-SECBINFHSA-N -1 1 297.322 1.322 20 0 CDADMM C[C@@H](O)c1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824705439 608402513 /nfs/dbraw/zinc/40/25/13/608402513.db2.gz ASCPLVUDAQRJAW-SECBINFHSA-N -1 1 297.322 1.322 20 0 CDADMM COCCN(c1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC000826159553 608408665 /nfs/dbraw/zinc/40/86/65/608408665.db2.gz JVDONVGBOIPOCO-UHFFFAOYSA-N -1 1 289.343 1.052 20 0 CDADMM COCCN(c1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC000826159553 608408667 /nfs/dbraw/zinc/40/86/67/608408667.db2.gz JVDONVGBOIPOCO-UHFFFAOYSA-N -1 1 289.343 1.052 20 0 CDADMM COc1ncccc1CNc1nc(-c2nn[n-]n2)ccc1C ZINC000826221931 608542504 /nfs/dbraw/zinc/54/25/04/608542504.db2.gz AZVGDCQYEFQHBJ-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N(C)C[C@H]1CCCCO1 ZINC000826279780 608544322 /nfs/dbraw/zinc/54/43/22/608544322.db2.gz BVEZJKZXQMETKY-LLVKDONJSA-N -1 1 288.355 1.575 20 0 CDADMM CN(Cc1cc[nH]n1)Cc1ccc(-c2nn[n-]n2)s1 ZINC000825953535 608694492 /nfs/dbraw/zinc/69/44/92/608694492.db2.gz JVAOGHBGIOYPSA-UHFFFAOYSA-N -1 1 275.341 1.283 20 0 CDADMM C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)CCO1 ZINC000824894293 608764663 /nfs/dbraw/zinc/76/46/63/608764663.db2.gz XOUFAWFMIPQSFY-YUMQZZPRSA-N -1 1 293.352 1.226 20 0 CDADMM C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000824894293 608764664 /nfs/dbraw/zinc/76/46/64/608764664.db2.gz XOUFAWFMIPQSFY-YUMQZZPRSA-N -1 1 293.352 1.226 20 0 CDADMM CN(C[C@H]1CCCC[C@@H]1O)c1cccc(-c2nnn[n-]2)n1 ZINC000825907687 609323779 /nfs/dbraw/zinc/32/37/79/609323779.db2.gz BDOWOUIMBZYBQG-PWSUYJOCSA-N -1 1 288.355 1.249 20 0 CDADMM CN(C[C@H]1CCCC[C@@H]1O)c1cccc(-c2nn[n-]n2)n1 ZINC000825907687 609323780 /nfs/dbraw/zinc/32/37/80/609323780.db2.gz BDOWOUIMBZYBQG-PWSUYJOCSA-N -1 1 288.355 1.249 20 0 CDADMM C[C@@H]1OCC[C@]1(C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000825012944 609593739 /nfs/dbraw/zinc/59/37/39/609593739.db2.gz MNQWDDNKXRYAPM-UFBFGSQYSA-N -1 1 260.301 1.241 20 0 CDADMM C[C@@H]1OCC[C@]1(C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000825012944 609593740 /nfs/dbraw/zinc/59/37/40/609593740.db2.gz MNQWDDNKXRYAPM-UFBFGSQYSA-N -1 1 260.301 1.241 20 0 CDADMM O=C(c1cncc([O-])c1)N1CC(Cc2ccoc2)C1 ZINC000890572559 617214915 /nfs/dbraw/zinc/21/49/15/617214915.db2.gz AJZCLOUSBIDBIZ-UHFFFAOYSA-N -1 1 258.277 1.695 20 0 CDADMM COc1cc(C(=O)NCC[C@@H](O)C2CC2)cc(Cl)c1[O-] ZINC000890729669 617310437 /nfs/dbraw/zinc/31/04/37/617310437.db2.gz KOBNDRIETGQKBD-LLVKDONJSA-N -1 1 299.754 1.945 20 0 CDADMM COc1cc(C(=O)N=S2(=O)CCOCC2)ccc1[O-] ZINC000891365956 617367335 /nfs/dbraw/zinc/36/73/35/617367335.db2.gz UCGRAATWKTWEJW-UHFFFAOYSA-N -1 1 285.321 1.039 20 0 CDADMM COCc1nc(NCC[C@@H]2CCO[C@H](C)C2)cc(=O)[n-]1 ZINC000893138136 617403090 /nfs/dbraw/zinc/40/30/90/617403090.db2.gz GGQCPZMQIRTDCW-GHMZBOCLSA-N -1 1 281.356 1.946 20 0 CDADMM C[C@H]1CN(C(=O)c2c([O-])cccc2Cl)CC[C@H]1O ZINC000779269354 617423972 /nfs/dbraw/zinc/42/39/72/617423972.db2.gz NQLGSZKDKTUBRZ-WCBMZHEXSA-N -1 1 269.728 1.889 20 0 CDADMM CC(C)C(=O)N(C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937212614 614339199 /nfs/dbraw/zinc/33/91/99/614339199.db2.gz WWKGCBANWRNFAY-LLVKDONJSA-N -1 1 291.351 1.116 20 0 CDADMM CCC(=O)NC1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC000979939224 614843031 /nfs/dbraw/zinc/84/30/31/614843031.db2.gz FFPPFVZBNNGFBL-UHFFFAOYSA-N -1 1 291.351 1.354 20 0 CDADMM CCN1C[C@@H](C(=O)[N-]OCc2ccccc2)CC1=O ZINC000046320183 617594835 /nfs/dbraw/zinc/59/48/35/617594835.db2.gz RZFANYWXLLIXPS-LBPRGKRZSA-N -1 1 262.309 1.103 20 0 CDADMM COCc1nc(N(C)[C@@H](C)CCSC)cc(=O)[n-]1 ZINC000892762233 617711247 /nfs/dbraw/zinc/71/12/47/617711247.db2.gz BVJZDARIZOEZIX-VIFPVBQESA-N -1 1 271.386 1.906 20 0 CDADMM Cc1cc(Cl)c(C(=O)N(C)c2nn[n-]n2)cc1C ZINC000892954236 617975295 /nfs/dbraw/zinc/97/52/95/617975295.db2.gz FSJYDLPSURURMK-UHFFFAOYSA-N -1 1 265.704 1.747 20 0 CDADMM CC[C@H](OC1CCCCC1)C(=O)N(C)c1nn[n-]n1 ZINC000892954047 617975350 /nfs/dbraw/zinc/97/53/50/617975350.db2.gz AXWRHWAGTXKILB-JTQLQIEISA-N -1 1 267.333 1.290 20 0 CDADMM COCc1nc(N2CCC[C@H]2[C@@H]2CCCO2)cc(=O)[n-]1 ZINC000893736144 618006164 /nfs/dbraw/zinc/00/61/64/618006164.db2.gz VPONDSPPBZDGRC-QWRGUYRKSA-N -1 1 279.340 1.476 20 0 CDADMM COCc1nc(NCC2=CCOCC2)cc(=O)[n-]1 ZINC000894029130 618267914 /nfs/dbraw/zinc/26/79/14/618267914.db2.gz UXUBVTRGHWDYRZ-UHFFFAOYSA-N -1 1 251.286 1.087 20 0 CDADMM Cc1cc(CC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)[nH]n1 ZINC000910561234 618305253 /nfs/dbraw/zinc/30/52/53/618305253.db2.gz XZWOWRIOOVDZMN-LBPRGKRZSA-N -1 1 279.340 1.410 20 0 CDADMM CCN(C)[C@@H](C(=O)NC[C@@H]1C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000910605517 618344338 /nfs/dbraw/zinc/34/43/38/618344338.db2.gz GCFIROIILQTULS-MELADBBJSA-N -1 1 290.363 1.516 20 0 CDADMM C[C@@H]1CN(C[C@H]2CCOc3ccccc32)C[C@H](C(=O)[O-])O1 ZINC000901911793 618365773 /nfs/dbraw/zinc/36/57/73/618365773.db2.gz NCNOADVAMPTWDR-LALPHHSUSA-N -1 1 291.347 1.727 20 0 CDADMM CC[C@H](C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)N(C)C ZINC000910741843 618457802 /nfs/dbraw/zinc/45/78/02/618457802.db2.gz ZOYWPYDSJCFBQK-MRVPVSSYSA-N -1 1 297.380 1.997 20 0 CDADMM O=C([N-]Cc1cnn2ccccc12)C(F)(F)C(F)F ZINC000804447016 618614515 /nfs/dbraw/zinc/61/45/15/618614515.db2.gz UYUKXFREPOTAMR-UHFFFAOYSA-N -1 1 275.205 1.851 20 0 CDADMM C[C@@H]1CN(Cn2c(=O)oc3ccccc32)C[C@@H]1C(=O)[O-] ZINC000828462470 618622514 /nfs/dbraw/zinc/62/25/14/618622514.db2.gz JSPOPFXCMHZKJK-ZJUUUORDSA-N -1 1 276.292 1.205 20 0 CDADMM CSC(C)(C)CNC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000909411763 619102158 /nfs/dbraw/zinc/10/21/58/619102158.db2.gz VUSALRPIWBDPID-JTQLQIEISA-N -1 1 288.413 1.041 20 0 CDADMM CCc1cc(=O)[n-]c(SCO[C@H]2CCCOC2)n1 ZINC000882159219 619318155 /nfs/dbraw/zinc/31/81/55/619318155.db2.gz UQLMRYJGZMQRML-JTQLQIEISA-N -1 1 270.354 1.990 20 0 CDADMM CCN(CC(=O)N(C[C@H](C)C(=O)[O-])C1CC1)C1CC1 ZINC000909455637 619329182 /nfs/dbraw/zinc/32/91/82/619329182.db2.gz YZXZZPWBQXSTBH-JTQLQIEISA-N -1 1 268.357 1.182 20 0 CDADMM COC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NC(C)(C)C)[n-]1 ZINC000796368190 620297043 /nfs/dbraw/zinc/29/70/43/620297043.db2.gz BQPGKJDSZBUCJZ-QMMMGPOBSA-N -1 1 296.323 1.261 20 0 CDADMM CC(=O)N1CCN([C@@H](C(=O)[O-])c2cccc(C)c2)CC1 ZINC000212160199 620490648 /nfs/dbraw/zinc/49/06/48/620490648.db2.gz KECZQSUQUXISLB-CQSZACIVSA-N -1 1 276.336 1.285 20 0 CDADMM C[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)N(C)C ZINC000909624598 620517836 /nfs/dbraw/zinc/51/78/36/620517836.db2.gz NZYCSJAXKJFVBF-FPMFFAJLSA-N -1 1 290.363 1.263 20 0 CDADMM O=C([O-])C1(CNC(=O)c2[nH]nc3c2CCCCC3)CC1 ZINC000909642530 620537291 /nfs/dbraw/zinc/53/72/91/620537291.db2.gz SZTHWVVEVJNRPV-UHFFFAOYSA-N -1 1 277.324 1.273 20 0 CDADMM C[C@H](NC(=O)CN(C)CCc1ccccc1)[C@H](C)C(=O)[O-] ZINC000909650630 620546277 /nfs/dbraw/zinc/54/62/77/620546277.db2.gz IESOPFDHKSYOQP-STQMWFEESA-N -1 1 292.379 1.386 20 0 CDADMM CCC[C@H](NC(=O)CO[C@@H]1CCC[C@H](C)C1)c1nn[n-]n1 ZINC000531437420 620618824 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Cc1nc(NC[C@@H]2CCC[C@@H]3C[C@@H]32)cc(-c2nn[n-]n2)n1 ZINC001606069327 1163763024 /nfs/dbraw/zinc/76/30/24/1163763024.db2.gz DECKJQVCSKDLJE-VWYCJHECSA-N -1 1 285.355 1.813 20 0 CDADMM CN(Cc1cnc[nH]1)C(=O)c1ccc(C=CC(=O)[O-])o1 ZINC001606145500 1163787492 /nfs/dbraw/zinc/78/74/92/1163787492.db2.gz CGLVITWKQZZGFI-HYXAFXHYSA-N -1 1 275.264 1.373 20 0 CDADMM Clc1cccc(COc2cccnc2-c2nnn[n-]2)n1 ZINC001606194314 1163803429 /nfs/dbraw/zinc/80/34/29/1163803429.db2.gz KJTXJPBOYOMSBJ-UHFFFAOYSA-N -1 1 288.698 1.889 20 0 CDADMM Clc1cccc(COc2cccnc2-c2nn[n-]n2)n1 ZINC001606194314 1163803434 /nfs/dbraw/zinc/80/34/34/1163803434.db2.gz KJTXJPBOYOMSBJ-UHFFFAOYSA-N -1 1 288.698 1.889 20 0 CDADMM CN1CC[C@@H](C(=O)NOCCCC(=O)[O-])c2ccccc21 ZINC001606212974 1163813368 /nfs/dbraw/zinc/81/33/68/1163813368.db2.gz UQSUQVVUWSJRRP-GFCCVEGCSA-N -1 1 292.335 1.523 20 0 CDADMM O=C(CC1CSC1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001606508093 1163918570 /nfs/dbraw/zinc/91/85/70/1163918570.db2.gz XWEBHVGIYUORFF-UHFFFAOYSA-N -1 1 295.393 1.298 20 0 CDADMM CO[C@]1(C(F)(F)F)CCN(C/C(C)=C/C(=O)[O-])C1 ZINC001606714946 1163970094 /nfs/dbraw/zinc/97/00/94/1163970094.db2.gz QCCULIGVTSAUOH-VHODGJRUSA-N -1 1 267.247 1.671 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc2[nH]ccc2c1 ZINC001606893563 1164024584 /nfs/dbraw/zinc/02/45/84/1164024584.db2.gz VCENEYDTOHOHJX-UHFFFAOYSA-N -1 1 294.278 1.323 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc2[nH]ccc2c1 ZINC001606893563 1164024587 /nfs/dbraw/zinc/02/45/87/1164024587.db2.gz VCENEYDTOHOHJX-UHFFFAOYSA-N -1 1 294.278 1.323 20 0 CDADMM O=C(OC[C@H]1CCSC1)c1ccc(-c2nn[n-]n2)o1 ZINC001606967624 1164041795 /nfs/dbraw/zinc/04/17/95/1164041795.db2.gz NODUHAOZAXEFFA-SSDOTTSWSA-N -1 1 280.309 1.370 20 0 CDADMM O=C(OC[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)o1 ZINC001606967593 1164041984 /nfs/dbraw/zinc/04/19/84/1164041984.db2.gz MLBQFZKOBDPDKR-QMMMGPOBSA-N -1 1 278.268 1.186 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CC2(C1)CCCCC2 ZINC001607025500 1164063344 /nfs/dbraw/zinc/06/33/44/1164063344.db2.gz GTWRMCISYBJCLQ-UHFFFAOYSA-N -1 1 298.350 1.668 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CC2(C1)CCCCC2 ZINC001607025500 1164063350 /nfs/dbraw/zinc/06/33/50/1164063350.db2.gz GTWRMCISYBJCLQ-UHFFFAOYSA-N -1 1 298.350 1.668 20 0 CDADMM O=Cc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001607056341 1164069515 /nfs/dbraw/zinc/06/95/15/1164069515.db2.gz CCMAPEFSUVKKFF-UHFFFAOYSA-N -1 1 267.248 1.867 20 0 CDADMM O=Cc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001607056341 1164069520 /nfs/dbraw/zinc/06/95/20/1164069520.db2.gz CCMAPEFSUVKKFF-UHFFFAOYSA-N -1 1 267.248 1.867 20 0 CDADMM O=Cc1ccc(Oc2cc(-c3nnn[n-]3)ncn2)cc1F ZINC001607056766 1164069838 /nfs/dbraw/zinc/06/98/38/1164069838.db2.gz ORYYXHMBHCMFIS-UHFFFAOYSA-N -1 1 286.226 1.401 20 0 CDADMM O=Cc1ccc(Oc2cc(-c3nn[n-]n3)ncn2)cc1F ZINC001607056766 1164069840 /nfs/dbraw/zinc/06/98/40/1164069840.db2.gz ORYYXHMBHCMFIS-UHFFFAOYSA-N -1 1 286.226 1.401 20 0 CDADMM OC[C@@H](CC1CCCC1)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001607100724 1164079114 /nfs/dbraw/zinc/07/91/14/1164079114.db2.gz ZYCNHAYGHCGPHH-SNVBAGLBSA-N -1 1 289.343 1.010 20 0 CDADMM OC[C@@H](CC1CCCC1)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001607100724 1164079123 /nfs/dbraw/zinc/07/91/23/1164079123.db2.gz ZYCNHAYGHCGPHH-SNVBAGLBSA-N -1 1 289.343 1.010 20 0 CDADMM c1cc(N2CC[C@@H]3CSC[C@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001607120190 1164104046 /nfs/dbraw/zinc/10/40/46/1164104046.db2.gz PXJZMRYMURWFLW-NXEZZACHSA-N -1 1 288.380 1.451 20 0 CDADMM c1cc(N2CC[C@@H]3CSC[C@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001607120190 1164104050 /nfs/dbraw/zinc/10/40/50/1164104050.db2.gz PXJZMRYMURWFLW-NXEZZACHSA-N -1 1 288.380 1.451 20 0 CDADMM c1[nH]nc(NCc2ccc3c(c2)CCO3)c1-c1nnn[n-]1 ZINC001607123108 1164105846 /nfs/dbraw/zinc/10/58/46/1164105846.db2.gz GVNVJTRBYKEGHA-UHFFFAOYSA-N -1 1 283.295 1.137 20 0 CDADMM c1[nH]nc(NCc2ccc3c(c2)CCO3)c1-c1nn[n-]n1 ZINC001607123108 1164105850 /nfs/dbraw/zinc/10/58/50/1164105850.db2.gz GVNVJTRBYKEGHA-UHFFFAOYSA-N -1 1 283.295 1.137 20 0 CDADMM COc1cc(C(=O)[O-])ccc1NC(=O)Nc1c[nH]nn1 ZINC001607134453 1164115408 /nfs/dbraw/zinc/11/54/08/1164115408.db2.gz MBNKYIHKIDRCMI-UHFFFAOYSA-N -1 1 277.240 1.156 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NCC[C@@H]1CCSC1 ZINC001607136902 1164117034 /nfs/dbraw/zinc/11/70/34/1164117034.db2.gz VIGVPAVRZPXQGV-MRVPVSSYSA-N -1 1 277.357 1.212 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NCC[C@@H]1CCSC1 ZINC001607136902 1164117037 /nfs/dbraw/zinc/11/70/37/1164117037.db2.gz VIGVPAVRZPXQGV-MRVPVSSYSA-N -1 1 277.357 1.212 20 0 CDADMM Cc1nc[nH]c1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC001607499507 1164209961 /nfs/dbraw/zinc/20/99/61/1164209961.db2.gz MGAWDXDNBWDYCX-JTQLQIEISA-N -1 1 271.276 1.547 20 0 CDADMM Cc1c(C(=O)Nc2ccnc(C(=O)[O-])n2)ccc2cncn21 ZINC001607510419 1164211862 /nfs/dbraw/zinc/21/18/62/1164211862.db2.gz NIFDYPCHVWNDNR-UHFFFAOYSA-N -1 1 297.274 1.383 20 0 CDADMM Cc1cccc(C[N@@H+](CCC(=O)[O-])CC(=O)[O-])c1 ZINC001607851167 1164312776 /nfs/dbraw/zinc/31/27/76/1164312776.db2.gz IPEJXQHGZABBHE-UHFFFAOYSA-N -1 1 251.282 1.356 20 0 CDADMM COc1cc(C(=O)N(C)CC2COC2)cc(Cl)c1[O-] ZINC001191142949 1164380363 /nfs/dbraw/zinc/38/03/63/1164380363.db2.gz AYEIMPXEBPZCQK-UHFFFAOYSA-N -1 1 285.727 1.773 20 0 CDADMM O=C([O-])[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccsc1 ZINC001608545293 1164540471 /nfs/dbraw/zinc/54/04/71/1164540471.db2.gz PGPCWOAGNXKNST-FXPVBKGRSA-N -1 1 291.332 1.517 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(CN3C(=O)C[C@H]3c3ccccc3)C[C@@H]21 ZINC001608816742 1164648603 /nfs/dbraw/zinc/64/86/03/1164648603.db2.gz CNBXJZAFQWFLAK-SFDCQRBFSA-N -1 1 286.331 1.180 20 0 CDADMM O=C([O-])c1cc(CN2CCC[C@@H](c3ccncn3)C2)on1 ZINC001608842114 1164658848 /nfs/dbraw/zinc/65/88/48/1164658848.db2.gz ZAUJCBYGJMBABI-SNVBAGLBSA-N -1 1 288.307 1.542 20 0 CDADMM O=C([O-])c1cnc(CCNCc2cocn2)s1 ZINC001608971169 1164697540 /nfs/dbraw/zinc/69/75/40/1164697540.db2.gz XVXNRENTTJALNB-UHFFFAOYSA-N -1 1 253.283 1.162 20 0 CDADMM O=C([O-])c1cn(CN2CCC[C@H](c3ccccc3)C2)nn1 ZINC001608965125 1164697787 /nfs/dbraw/zinc/69/77/87/1164697787.db2.gz ZNRTVDKWQHGSNX-ZDUSSCGKSA-N -1 1 286.335 1.813 20 0 CDADMM O=C([O-])c1cnoc1CN[C@@H]1Cc2cccc(O)c2C1 ZINC001608985089 1164707254 /nfs/dbraw/zinc/70/72/54/1164707254.db2.gz PZUUTWMXITVPIR-SECBINFHSA-N -1 1 274.276 1.335 20 0 CDADMM O=C([O-])c1csc(COC(=O)c2[nH]nc3c2CCC3)n1 ZINC001608992632 1164714058 /nfs/dbraw/zinc/71/40/58/1164714058.db2.gz DOZVBKODBRYOGD-UHFFFAOYSA-N -1 1 293.304 1.410 20 0 CDADMM C[C@H](O)C[C@@H]1CCCCN1c1cccc(-c2nnn[n-]2)n1 ZINC001609129100 1164786093 /nfs/dbraw/zinc/78/60/93/1164786093.db2.gz XYNCCRBMHCZRKL-QWRGUYRKSA-N -1 1 288.355 1.392 20 0 CDADMM C[C@H](O)C[C@@H]1CCCCN1c1cccc(-c2nn[n-]n2)n1 ZINC001609129100 1164786102 /nfs/dbraw/zinc/78/61/02/1164786102.db2.gz XYNCCRBMHCZRKL-QWRGUYRKSA-N -1 1 288.355 1.392 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC(C)=C(C)C1 ZINC001609151639 1164798880 /nfs/dbraw/zinc/79/88/80/1164798880.db2.gz MVFFEYUKRTVXHA-UHFFFAOYSA-N -1 1 287.323 1.950 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC(C)=C(C)C1 ZINC001609151639 1164798884 /nfs/dbraw/zinc/79/88/84/1164798884.db2.gz MVFFEYUKRTVXHA-UHFFFAOYSA-N -1 1 287.323 1.950 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC=C(C)CC1 ZINC001609151804 1164800804 /nfs/dbraw/zinc/80/08/04/1164800804.db2.gz RKHOBIYUGORHPY-UHFFFAOYSA-N -1 1 273.296 1.560 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC=C(C)CC1 ZINC001609151804 1164800809 /nfs/dbraw/zinc/80/08/09/1164800809.db2.gz RKHOBIYUGORHPY-UHFFFAOYSA-N -1 1 273.296 1.560 20 0 CDADMM C[C@@H]1C[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)CO1 ZINC001609157372 1164803739 /nfs/dbraw/zinc/80/37/39/1164803739.db2.gz JWGSOHHBHGSHJQ-BDAKNGLRSA-N -1 1 297.322 1.399 20 0 CDADMM C[C@@H]1C[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)CO1 ZINC001609157372 1164803746 /nfs/dbraw/zinc/80/37/46/1164803746.db2.gz JWGSOHHBHGSHJQ-BDAKNGLRSA-N -1 1 297.322 1.399 20 0 CDADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCC1(F)F ZINC001609176305 1164815292 /nfs/dbraw/zinc/81/52/92/1164815292.db2.gz RQGKKCZWLVLPMD-SSDOTTSWSA-N -1 1 281.270 1.138 20 0 CDADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCC1(F)F ZINC001609176305 1164815296 /nfs/dbraw/zinc/81/52/96/1164815296.db2.gz RQGKKCZWLVLPMD-SSDOTTSWSA-N -1 1 281.270 1.138 20 0 CDADMM CC[C@H](CCO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001609190776 1164830228 /nfs/dbraw/zinc/83/02/28/1164830228.db2.gz VJZUCYFMXMRTRU-RXMQYKEDSA-N -1 1 288.764 1.550 20 0 CDADMM CC[C@H](CCO)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609190776 1164830234 /nfs/dbraw/zinc/83/02/34/1164830234.db2.gz VJZUCYFMXMRTRU-RXMQYKEDSA-N -1 1 288.764 1.550 20 0 CDADMM CC[C@@]1(C)COCCN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001609197027 1164836876 /nfs/dbraw/zinc/83/68/76/1164836876.db2.gz MJXCMGDPJBIUGK-LBPRGKRZSA-N -1 1 294.384 1.324 20 0 CDADMM CC[C@@]1(C)COCCN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001609197027 1164836878 /nfs/dbraw/zinc/83/68/78/1164836878.db2.gz MJXCMGDPJBIUGK-LBPRGKRZSA-N -1 1 294.384 1.324 20 0 CDADMM CCC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001609206704 1164844937 /nfs/dbraw/zinc/84/49/37/1164844937.db2.gz INTHZCPLWUOALP-SNVBAGLBSA-N -1 1 273.344 1.816 20 0 CDADMM CCC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001609206704 1164844942 /nfs/dbraw/zinc/84/49/42/1164844942.db2.gz INTHZCPLWUOALP-SNVBAGLBSA-N -1 1 273.344 1.816 20 0 CDADMM CCc1ncc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)cn1 ZINC001609254865 1164867664 /nfs/dbraw/zinc/86/76/64/1164867664.db2.gz HRPUEWFDGRAFBS-UHFFFAOYSA-N -1 1 299.294 1.373 20 0 CDADMM CCc1ncc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)cn1 ZINC001609254865 1164867670 /nfs/dbraw/zinc/86/76/70/1164867670.db2.gz HRPUEWFDGRAFBS-UHFFFAOYSA-N -1 1 299.294 1.373 20 0 CDADMM CN(C(=O)c1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC001609262730 1164871742 /nfs/dbraw/zinc/87/17/42/1164871742.db2.gz NYBURMSZOGLANS-UHFFFAOYSA-N -1 1 298.281 1.677 20 0 CDADMM CN(C(=O)c1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001609262730 1164871753 /nfs/dbraw/zinc/87/17/53/1164871753.db2.gz NYBURMSZOGLANS-UHFFFAOYSA-N -1 1 298.281 1.677 20 0 CDADMM CN(C[C@@H]1CCCC[C@H]1O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609274088 1164877213 /nfs/dbraw/zinc/87/72/13/1164877213.db2.gz SAMZOIZCYAAPIF-GXFFZTMASA-N -1 1 288.355 1.249 20 0 CDADMM CN(C[C@@H]1CCCC[C@H]1O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609274088 1164877218 /nfs/dbraw/zinc/87/72/18/1164877218.db2.gz SAMZOIZCYAAPIF-GXFFZTMASA-N -1 1 288.355 1.249 20 0 CDADMM CO[C@H](CNc1ccc(C)c(-c2nnn[n-]2)n1)C(C)C ZINC001609310830 1164888930 /nfs/dbraw/zinc/88/89/30/1164888930.db2.gz NOUPUEDYFKUYPY-SNVBAGLBSA-N -1 1 276.344 1.653 20 0 CDADMM CO[C@H](CNc1ccc(C)c(-c2nn[n-]n2)n1)C(C)C ZINC001609310830 1164888935 /nfs/dbraw/zinc/88/89/35/1164888935.db2.gz NOUPUEDYFKUYPY-SNVBAGLBSA-N -1 1 276.344 1.653 20 0 CDADMM CO[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)CC[C@@H]1C ZINC001609315790 1164895073 /nfs/dbraw/zinc/89/50/73/1164895073.db2.gz UAQWECKIBXMHAT-GXSJLCMTSA-N -1 1 274.328 1.123 20 0 CDADMM CO[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)CC[C@@H]1C ZINC001609315790 1164895080 /nfs/dbraw/zinc/89/50/80/1164895080.db2.gz UAQWECKIBXMHAT-GXSJLCMTSA-N -1 1 274.328 1.123 20 0 CDADMM CO[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2 ZINC001609313663 1164895239 /nfs/dbraw/zinc/89/52/39/1164895239.db2.gz PGDPFSBDDQAFIP-VHSXEESVSA-N -1 1 287.327 1.026 20 0 CDADMM CO[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2 ZINC001609313663 1164895248 /nfs/dbraw/zinc/89/52/48/1164895248.db2.gz PGDPFSBDDQAFIP-VHSXEESVSA-N -1 1 287.327 1.026 20 0 CDADMM COc1ccc(CCOc2cccnc2-c2nnn[n-]2)cc1 ZINC001609355084 1164908887 /nfs/dbraw/zinc/90/88/87/1164908887.db2.gz FHFFPWNQBJIHLJ-UHFFFAOYSA-N -1 1 297.318 1.892 20 0 CDADMM COc1ccc(CCOc2cccnc2-c2nn[n-]n2)cc1 ZINC001609355084 1164908891 /nfs/dbraw/zinc/90/88/91/1164908891.db2.gz FHFFPWNQBJIHLJ-UHFFFAOYSA-N -1 1 297.318 1.892 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](C(C)C)C2)n1 ZINC001609391692 1164923657 /nfs/dbraw/zinc/92/36/57/1164923657.db2.gz SFYGSLDNOQBOHC-LLVKDONJSA-N -1 1 287.371 1.838 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](C(C)C)C2)n1 ZINC001609391692 1164923664 /nfs/dbraw/zinc/92/36/64/1164923664.db2.gz SFYGSLDNOQBOHC-LLVKDONJSA-N -1 1 287.371 1.838 20 0 CDADMM Cc1ccc(NC[C@]2(C)CCCO2)nc1-c1nnn[n-]1 ZINC001609426500 1164942443 /nfs/dbraw/zinc/94/24/43/1164942443.db2.gz WOJYFYOYQNAAEP-ZDUSSCGKSA-N -1 1 274.328 1.551 20 0 CDADMM Cc1ccc(NC[C@]2(C)CCCO2)nc1-c1nn[n-]n1 ZINC001609426500 1164942445 /nfs/dbraw/zinc/94/24/45/1164942445.db2.gz WOJYFYOYQNAAEP-ZDUSSCGKSA-N -1 1 274.328 1.551 20 0 CDADMM Cc1nnc([C@H](C)Nc2snc(C)c2-c2nn[n-]n2)o1 ZINC001609460100 1164957942 /nfs/dbraw/zinc/95/79/42/1164957942.db2.gz JGZKDFIXINCGEI-YFKPBYRVSA-N -1 1 292.328 1.496 20 0 CDADMM Fc1ccccc1C1CN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001609492204 1164975362 /nfs/dbraw/zinc/97/53/62/1164975362.db2.gz LHWHHIAIDOMMEG-UHFFFAOYSA-N -1 1 297.297 1.400 20 0 CDADMM Fc1ccccc1C1CN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001609492204 1164975368 /nfs/dbraw/zinc/97/53/68/1164975368.db2.gz LHWHHIAIDOMMEG-UHFFFAOYSA-N -1 1 297.297 1.400 20 0 CDADMM O=C(OCC1CCOCC1)c1csc(-c2nnn[n-]2)c1 ZINC001609574078 1164994810 /nfs/dbraw/zinc/99/48/10/1164994810.db2.gz GINPGNINDBTYQN-UHFFFAOYSA-N -1 1 294.336 1.512 20 0 CDADMM O=C(OCC1CCOCC1)c1csc(-c2nn[n-]n2)c1 ZINC001609574078 1164994820 /nfs/dbraw/zinc/99/48/20/1164994820.db2.gz GINPGNINDBTYQN-UHFFFAOYSA-N -1 1 294.336 1.512 20 0 CDADMM O[C@@H]1CCC[C@H](CNc2cccnc2-c2nnn[n-]2)C1 ZINC001609607587 1165000244 /nfs/dbraw/zinc/00/02/44/1165000244.db2.gz HTLRYIQBBJAWND-VHSXEESVSA-N -1 1 274.328 1.225 20 0 CDADMM O[C@@H]1CCC[C@H](CNc2cccnc2-c2nn[n-]n2)C1 ZINC001609607587 1165000249 /nfs/dbraw/zinc/00/02/49/1165000249.db2.gz HTLRYIQBBJAWND-VHSXEESVSA-N -1 1 274.328 1.225 20 0 CDADMM c1cc(N2CCC[C@@H](C3CC3)C2)nnc1-c1nnn[n-]1 ZINC001609614378 1165008947 /nfs/dbraw/zinc/00/89/47/1165008947.db2.gz NCBZJSQNPIVYIB-SNVBAGLBSA-N -1 1 271.328 1.283 20 0 CDADMM c1cc(N2CCC[C@@H](C3CC3)C2)nnc1-c1nn[n-]n1 ZINC001609614378 1165008955 /nfs/dbraw/zinc/00/89/55/1165008955.db2.gz NCBZJSQNPIVYIB-SNVBAGLBSA-N -1 1 271.328 1.283 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N2CCOCC3(CCC3)C2)c1 ZINC001609619186 1165015582 /nfs/dbraw/zinc/01/55/82/1165015582.db2.gz IXMHYBCJYDISJW-UHFFFAOYSA-N -1 1 286.339 1.269 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N2CCOCC3(CCC3)C2)c1 ZINC001609619186 1165015586 /nfs/dbraw/zinc/01/55/86/1165015586.db2.gz IXMHYBCJYDISJW-UHFFFAOYSA-N -1 1 286.339 1.269 20 0 CDADMM CC(=O)NC[C@@H]1CCCN(Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC001609621423 1165016779 /nfs/dbraw/zinc/01/67/79/1165016779.db2.gz GHGKSQFHTSIBHP-LBPRGKRZSA-N -1 1 294.351 1.634 20 0 CDADMM C[C@H](CC(=O)[O-])C(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC001609732274 1165059327 /nfs/dbraw/zinc/05/93/27/1165059327.db2.gz MTAIRSPFNYGPPX-NEPJUHHUSA-N -1 1 295.335 1.898 20 0 CDADMM COC(=O)c1ccc2c(c1)CN(C/C=C(/C)C(=O)[O-])CC2 ZINC001610214681 1165255119 /nfs/dbraw/zinc/25/51/19/1165255119.db2.gz HYQZGPKSDSHSTM-WZUFQYTHSA-N -1 1 289.331 1.862 20 0 CDADMM Cc1nc([C@@H](C)OC(=O)c2cncc(C(=O)[O-])c2)n[nH]1 ZINC001610547773 1165351209 /nfs/dbraw/zinc/35/12/09/1165351209.db2.gz HYIKDKLLZSJNQK-ZCFIWIBFSA-N -1 1 276.252 1.124 20 0 CDADMM Cn1nc(CN[C@@]2(CC(=O)[O-])CCOC2)c2ccccc21 ZINC001610612239 1165377398 /nfs/dbraw/zinc/37/73/98/1165377398.db2.gz AIQUSESOHLLTIJ-OAHLLOKOSA-N -1 1 289.335 1.297 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(CC(=O)NC3CCCCCCC3)C[C@@H]21 ZINC001610666344 1165401878 /nfs/dbraw/zinc/40/18/78/1165401878.db2.gz TZLIIZDRNOIOJE-NHAGDIPZSA-N -1 1 294.395 1.478 20 0 CDADMM O=C([O-])c1cn([C@H]2CCN(Cc3ccc(F)cc3)C2)nn1 ZINC001610859868 1165463929 /nfs/dbraw/zinc/46/39/29/1165463929.db2.gz XQKJBMLHPXBARF-LBPRGKRZSA-N -1 1 290.298 1.562 20 0 CDADMM O=C([O-])c1cn(C2CN(C[C@H]3C[C@@H]3c3ccccc3)C2)nn1 ZINC001610860629 1165464340 /nfs/dbraw/zinc/46/43/40/1165464340.db2.gz RDLGZRUTOCGGBI-TZMCWYRMSA-N -1 1 298.346 1.637 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)[C@@H]1CCCc2cccnc21 ZINC001611380508 1165493078 /nfs/dbraw/zinc/49/30/78/1165493078.db2.gz VRLYCFPXVLPGNN-SECBINFHSA-N -1 1 258.281 1.569 20 0 CDADMM CCC(CC)(NC(=O)[C@H](C)C1CC1)c1nn[n-]n1 ZINC001623441834 1165772828 /nfs/dbraw/zinc/77/28/28/1165772828.db2.gz UMQDGSNBCMFFIF-MRVPVSSYSA-N -1 1 251.334 1.377 20 0 CDADMM Cc1cnc(CNC(=O)c2ccc(F)c([O-])c2)o1 ZINC001628736474 1166092092 /nfs/dbraw/zinc/09/20/92/1166092092.db2.gz DQBSBJJDXHUVDI-UHFFFAOYSA-N -1 1 250.229 1.758 20 0 CDADMM CCn1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)nn1 ZINC001629762704 1166163064 /nfs/dbraw/zinc/16/30/64/1166163064.db2.gz GEVBVKXNBXTHEV-UHFFFAOYSA-N -1 1 298.306 1.646 20 0 CDADMM Cc1nc2c(c(=O)[nH]1)CN(C(=O)c1cccc3c[nH]nc31)C2 ZINC001630892059 1166241237 /nfs/dbraw/zinc/24/12/37/1166241237.db2.gz BIPZIHPRVIDVPN-UHFFFAOYSA-N -1 1 295.302 1.523 20 0 CDADMM CCC(CC)(NC(=O)c1cccc(C)n1)c1nn[n-]n1 ZINC000095284789 1166618549 /nfs/dbraw/zinc/61/85/49/1166618549.db2.gz UKKRKQJAZQWJHN-UHFFFAOYSA-N -1 1 274.328 1.348 20 0 CDADMM Cc1nn(C)cc1CNC(=O)c1ccc(F)c([O-])c1 ZINC001638426334 1166847015 /nfs/dbraw/zinc/84/70/15/1166847015.db2.gz YXGLHIGRAORHDE-UHFFFAOYSA-N -1 1 263.272 1.503 20 0 CDADMM Cc1cnc(CNC(=O)c2ccc([O-])c(F)c2)nc1 ZINC001639713567 1166965764 /nfs/dbraw/zinc/96/57/64/1166965764.db2.gz KQDAXBKUJKZHBT-UHFFFAOYSA-N -1 1 261.256 1.560 20 0 CDADMM CC1(C)[C@H](O)C[C@@H]1NC(=O)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155273115 1167113358 /nfs/dbraw/zinc/11/33/58/1167113358.db2.gz JAYPKMHLCPUXAW-WDEREUQCSA-N -1 1 275.308 1.158 20 0 CDADMM Cc1c[nH]c(CNC(=O)c2ncc3ccccc3c2[O-])n1 ZINC001641654762 1167126460 /nfs/dbraw/zinc/12/64/60/1167126460.db2.gz VCRIFWUXQVHKDU-UHFFFAOYSA-N -1 1 282.303 1.902 20 0 CDADMM O=C(COC(=O)[C@H]1C[C@H]1C1CC1)c1ccc([O-])cc1O ZINC001645594986 1167432571 /nfs/dbraw/zinc/43/25/71/1167432571.db2.gz WWLGLOMEJQXYNX-RYUDHWBXSA-N -1 1 276.288 1.870 20 0 CDADMM CCCCc1ccc(CC(=O)N(C)c2nn[n-]n2)cc1 ZINC001646203452 1167693511 /nfs/dbraw/zinc/69/35/11/1167693511.db2.gz JEPVBGHHBZFNOH-UHFFFAOYSA-N -1 1 273.340 1.748 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1Cc1nccs1 ZINC001609868736 1167966941 /nfs/dbraw/zinc/96/69/41/1167966941.db2.gz ACXHJOOYGISPGD-JTQLQIEISA-N -1 1 269.370 1.124 20 0 CDADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@]2(CCOC2=O)C1 ZINC001646630786 1167997051 /nfs/dbraw/zinc/99/70/51/1167997051.db2.gz SBNWPNMUSASITR-AWEZNQCLSA-N -1 1 295.722 1.825 20 0 CDADMM COC(=O)c1occc1CN1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC001573948807 1170838427 /nfs/dbraw/zinc/83/84/27/1170838427.db2.gz VCOJGGCONZOOHY-NHNAUAITSA-N -1 1 293.319 1.894 20 0 CDADMM O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)c1cc(C(F)F)[nH]n1 ZINC001574398938 1170970264 /nfs/dbraw/zinc/97/02/64/1170970264.db2.gz NNWKURLXEXQOOJ-MYINAIGISA-N -1 1 285.250 1.425 20 0 CDADMM C[C@@H](CCC(C)(C)C)C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001650581562 1171203875 /nfs/dbraw/zinc/20/38/75/1171203875.db2.gz DALVZXPVSYJYEG-WDEREUQCSA-N -1 1 279.388 1.978 20 0 CDADMM CCC[C@@H]1C[C@H]1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001577710750 1171726192 /nfs/dbraw/zinc/72/61/92/1171726192.db2.gz XZCCXOSHNRUFKK-GHMZBOCLSA-N -1 1 286.339 1.314 20 0 CDADMM CCC[C@@H]1C[C@H]1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001577710750 1171726202 /nfs/dbraw/zinc/72/62/02/1171726202.db2.gz XZCCXOSHNRUFKK-GHMZBOCLSA-N -1 1 286.339 1.314 20 0 CDADMM CCOC(=O)C1(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC1 ZINC000073028442 1171954203 /nfs/dbraw/zinc/95/42/03/1171954203.db2.gz YIQHVUOZMLVIKW-UHFFFAOYSA-N -1 1 292.217 1.105 20 0 CDADMM COC[C@H]1CCN(C(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001579748002 1172254049 /nfs/dbraw/zinc/25/40/49/1172254049.db2.gz RTCVNHBQSKCNHF-QMMMGPOBSA-N -1 1 293.352 1.037 20 0 CDADMM CO[C@@]1(C)C[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001579868965 1172285413 /nfs/dbraw/zinc/28/54/13/1172285413.db2.gz SECZYRYGEUGFCW-MOFOKWOHSA-N -1 1 286.748 1.566 20 0 CDADMM CO[C@@]1(C)C[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001579868965 1172285417 /nfs/dbraw/zinc/28/54/17/1172285417.db2.gz SECZYRYGEUGFCW-MOFOKWOHSA-N -1 1 286.748 1.566 20 0 CDADMM O=C(CCc1ccoc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582069551 1172646068 /nfs/dbraw/zinc/64/60/68/1172646068.db2.gz LPFGDBABWLTAKX-UHFFFAOYSA-N -1 1 284.279 1.426 20 0 CDADMM O=C(CCc1ccoc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582069551 1172646076 /nfs/dbraw/zinc/64/60/76/1172646076.db2.gz LPFGDBABWLTAKX-UHFFFAOYSA-N -1 1 284.279 1.426 20 0 CDADMM CC(=O)CCCOC(=O)c1ccsc1-c1nnn[n-]1 ZINC001588792042 1173107540 /nfs/dbraw/zinc/10/75/40/1173107540.db2.gz PWPNDFXMJZIIIN-UHFFFAOYSA-N -1 1 280.309 1.454 20 0 CDADMM CC(=O)CCCOC(=O)c1ccsc1-c1nn[n-]n1 ZINC001588792042 1173107544 /nfs/dbraw/zinc/10/75/44/1173107544.db2.gz PWPNDFXMJZIIIN-UHFFFAOYSA-N -1 1 280.309 1.454 20 0 CDADMM CC(C)(C)C1CN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001589104271 1173124636 /nfs/dbraw/zinc/12/46/36/1173124636.db2.gz BTSRHVWQPHJOCC-UHFFFAOYSA-N -1 1 275.312 1.578 20 0 CDADMM CC(C)(C)C1CN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001589104271 1173124643 /nfs/dbraw/zinc/12/46/43/1173124643.db2.gz BTSRHVWQPHJOCC-UHFFFAOYSA-N -1 1 275.312 1.578 20 0 CDADMM CC(C)(/C=C/Cl)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589264239 1173131801 /nfs/dbraw/zinc/13/18/01/1173131801.db2.gz OJXPWLBEJCCVIQ-VOTSOKGWSA-N -1 1 292.730 1.523 20 0 CDADMM CC(C)(/C=C/Cl)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589264239 1173131804 /nfs/dbraw/zinc/13/18/04/1173131804.db2.gz OJXPWLBEJCCVIQ-VOTSOKGWSA-N -1 1 292.730 1.523 20 0 CDADMM CC(C)(/C=C/Cl)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589264458 1173132484 /nfs/dbraw/zinc/13/24/84/1173132484.db2.gz UKSAGFASPIJWJX-ONEGZZNKSA-N -1 1 281.703 1.721 20 0 CDADMM CC(C)(/C=C/Cl)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589264458 1173132488 /nfs/dbraw/zinc/13/24/88/1173132488.db2.gz UKSAGFASPIJWJX-ONEGZZNKSA-N -1 1 281.703 1.721 20 0 CDADMM CC(C)(F)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589312449 1173137810 /nfs/dbraw/zinc/13/78/10/1173137810.db2.gz HGPFYSAGWQJQBZ-UHFFFAOYSA-N -1 1 269.305 1.406 20 0 CDADMM CC(C)(F)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589312449 1173137814 /nfs/dbraw/zinc/13/78/14/1173137814.db2.gz HGPFYSAGWQJQBZ-UHFFFAOYSA-N -1 1 269.305 1.406 20 0 CDADMM CC(C)[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001589501279 1173152181 /nfs/dbraw/zinc/15/21/81/1173152181.db2.gz YNIFKNXFQRXRSH-KOLCDFICSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001589501279 1173152189 /nfs/dbraw/zinc/15/21/89/1173152189.db2.gz YNIFKNXFQRXRSH-KOLCDFICSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589508105 1173153710 /nfs/dbraw/zinc/15/37/10/1173153710.db2.gz VWAJDRAEAYSRMM-SNVBAGLBSA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)CN(C(=O)c1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC001589612912 1173161897 /nfs/dbraw/zinc/16/18/97/1173161897.db2.gz NIPGHBIJBNYWDK-UHFFFAOYSA-N -1 1 275.312 1.720 20 0 CDADMM CC(C)CN(C(=O)c1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC001589612912 1173161902 /nfs/dbraw/zinc/16/19/02/1173161902.db2.gz NIPGHBIJBNYWDK-UHFFFAOYSA-N -1 1 275.312 1.720 20 0 CDADMM CC(C)O[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001589739875 1173171414 /nfs/dbraw/zinc/17/14/14/1173171414.db2.gz RUJORWYMDNWVTI-LLVKDONJSA-N -1 1 288.355 1.656 20 0 CDADMM CC(C)O[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001589739875 1173171417 /nfs/dbraw/zinc/17/14/17/1173171417.db2.gz RUJORWYMDNWVTI-LLVKDONJSA-N -1 1 288.355 1.656 20 0 CDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)CC(F)F ZINC001589879392 1173193812 /nfs/dbraw/zinc/19/38/12/1173193812.db2.gz ONTUEPYNWFELHP-ZCFIWIBFSA-N -1 1 269.259 1.360 20 0 CDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)CC(F)F ZINC001589879392 1173193816 /nfs/dbraw/zinc/19/38/16/1173193816.db2.gz ONTUEPYNWFELHP-ZCFIWIBFSA-N -1 1 269.259 1.360 20 0 CDADMM C[C@H](NCc1nc(-c2nnn[n-]2)cs1)c1ncco1 ZINC001589975729 1173219125 /nfs/dbraw/zinc/21/91/25/1173219125.db2.gz GKBCYWMDYIZFDY-LURJTMIESA-N -1 1 277.313 1.162 20 0 CDADMM C[C@H](NCc1nc(-c2nn[n-]n2)cs1)c1ncco1 ZINC001589975729 1173219133 /nfs/dbraw/zinc/21/91/33/1173219133.db2.gz GKBCYWMDYIZFDY-LURJTMIESA-N -1 1 277.313 1.162 20 0 CDADMM CC(C)n1cc([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001589986684 1173221847 /nfs/dbraw/zinc/22/18/47/1173221847.db2.gz PNLQRJZHVPFKHX-SECBINFHSA-N -1 1 299.342 1.029 20 0 CDADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccns1 ZINC001589983629 1173222363 /nfs/dbraw/zinc/22/23/63/1173222363.db2.gz GCWRZKGQWLMUGT-ZETCQYMHSA-N -1 1 273.325 1.891 20 0 CDADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccns1 ZINC001589983629 1173222369 /nfs/dbraw/zinc/22/23/69/1173222369.db2.gz GCWRZKGQWLMUGT-ZETCQYMHSA-N -1 1 273.325 1.891 20 0 CDADMM CC1(C)CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001590096432 1173256350 /nfs/dbraw/zinc/25/63/50/1173256350.db2.gz ICEXMBHQYWCFKX-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM CC1(C)CCCC[C@H]1Cn1cncc(-c2nn[n-]n2)c1=O ZINC001590097529 1173257026 /nfs/dbraw/zinc/25/70/26/1173257026.db2.gz SGLLKFOYNGAIFN-JTQLQIEISA-N -1 1 288.355 1.640 20 0 CDADMM CC1(C)CN(C(=O)c2csc(-c3nn[n-]n3)c2)CCO1 ZINC001590103969 1173258590 /nfs/dbraw/zinc/25/85/90/1173258590.db2.gz NORSAPSUFRTTEN-UHFFFAOYSA-N -1 1 293.352 1.179 20 0 CDADMM CC1(OCC(=O)Nc2cccc(-c3nnn[n-]3)n2)CCC1 ZINC001590153787 1173274090 /nfs/dbraw/zinc/27/40/90/1173274090.db2.gz YZEKEWPWIHQFHV-UHFFFAOYSA-N -1 1 288.311 1.159 20 0 CDADMM CC1(OCC(=O)Nc2cccc(-c3nn[n-]n3)n2)CCC1 ZINC001590153787 1173274095 /nfs/dbraw/zinc/27/40/95/1173274095.db2.gz YZEKEWPWIHQFHV-UHFFFAOYSA-N -1 1 288.311 1.159 20 0 CDADMM CC1CC(Cn2ccn3ncc(-c4nn[n-]n4)c23)C1 ZINC001590190655 1173282866 /nfs/dbraw/zinc/28/28/66/1173282866.db2.gz BGTXFEBKOGJKQX-UHFFFAOYSA-N -1 1 257.301 1.362 20 0 CDADMM C[C@H]1CC(C)(C)CN1c1nccnc1-c1nnn[n-]1 ZINC001590191894 1173288207 /nfs/dbraw/zinc/28/82/07/1173288207.db2.gz KDMFNDDPPSHFFB-QMMMGPOBSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@H]1CC(C)(C)CN1c1nccnc1-c1nn[n-]n1 ZINC001590191894 1173288215 /nfs/dbraw/zinc/28/82/15/1173288215.db2.gz KDMFNDDPPSHFFB-QMMMGPOBSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@H]1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001590231898 1173309348 /nfs/dbraw/zinc/30/93/48/1173309348.db2.gz UIIFKFYJNCFDSX-DTWKUNHWSA-N -1 1 275.312 1.626 20 0 CDADMM C[C@H]1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590231898 1173309354 /nfs/dbraw/zinc/30/93/54/1173309354.db2.gz UIIFKFYJNCFDSX-DTWKUNHWSA-N -1 1 275.312 1.626 20 0 CDADMM C[C@H]1CC[C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590236690 1173310031 /nfs/dbraw/zinc/31/00/31/1173310031.db2.gz LENDVWAGAXAIBP-CBAPKCEASA-N -1 1 261.285 1.378 20 0 CDADMM C[C@H]1CC[C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590236690 1173310038 /nfs/dbraw/zinc/31/00/38/1173310038.db2.gz LENDVWAGAXAIBP-CBAPKCEASA-N -1 1 261.285 1.378 20 0 CDADMM C[C@@H]1CCC[C@H]1CC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590248501 1173317521 /nfs/dbraw/zinc/31/75/21/1173317521.db2.gz OOHAXXQCDBMJPH-SFYZADRCSA-N -1 1 275.316 1.355 20 0 CDADMM C[C@@H]1CCC[C@H]1CC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590248501 1173317527 /nfs/dbraw/zinc/31/75/27/1173317527.db2.gz OOHAXXQCDBMJPH-SFYZADRCSA-N -1 1 275.316 1.355 20 0 CDADMM C[C@H]1CCCN(C(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001590259996 1173323210 /nfs/dbraw/zinc/32/32/10/1173323210.db2.gz ODMJRYMIVJOTQG-VIFPVBQESA-N -1 1 275.312 1.722 20 0 CDADMM C[C@H]1CCCN(C(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001590259996 1173323217 /nfs/dbraw/zinc/32/32/17/1173323217.db2.gz ODMJRYMIVJOTQG-VIFPVBQESA-N -1 1 275.312 1.722 20 0 CDADMM C[C@@H]1[C@@H](C)CCN1C(=O)c1ccsc1-c1nnn[n-]1 ZINC001590270431 1173331285 /nfs/dbraw/zinc/33/12/85/1173331285.db2.gz WPDZTDHMDVWERW-JGVFFNPUSA-N -1 1 277.353 1.799 20 0 CDADMM C[C@@H]1[C@@H](C)CCN1C(=O)c1ccsc1-c1nn[n-]n1 ZINC001590270431 1173331292 /nfs/dbraw/zinc/33/12/92/1173331292.db2.gz WPDZTDHMDVWERW-JGVFFNPUSA-N -1 1 277.353 1.799 20 0 CDADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC(C)(C)C1 ZINC001590316398 1173350956 /nfs/dbraw/zinc/35/09/56/1173350956.db2.gz LNZAQWXDWGLRRX-VIFPVBQESA-N -1 1 273.344 1.529 20 0 CDADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@@H](C)C1(F)F ZINC001590314439 1173352183 /nfs/dbraw/zinc/35/21/83/1173352183.db2.gz HWZFKXIBRCVDEF-RKDXNWHRSA-N -1 1 294.309 1.989 20 0 CDADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@@H](C)C1(F)F ZINC001590314439 1173352193 /nfs/dbraw/zinc/35/21/93/1173352193.db2.gz HWZFKXIBRCVDEF-RKDXNWHRSA-N -1 1 294.309 1.989 20 0 CDADMM CCC(C)(C)OC1CN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590377616 1173380103 /nfs/dbraw/zinc/38/01/03/1173380103.db2.gz ZSGWGHIARYOMRZ-UHFFFAOYSA-N -1 1 289.343 1.051 20 0 CDADMM CC[C@@](C)(NC(=O)c1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001590381772 1173383729 /nfs/dbraw/zinc/38/37/29/1173383729.db2.gz IXYCGYSGLGPMQG-CQSZACIVSA-N -1 1 286.339 1.570 20 0 CDADMM CC[C@@](C)(NC(=O)c1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001590381772 1173383733 /nfs/dbraw/zinc/38/37/33/1173383733.db2.gz IXYCGYSGLGPMQG-CQSZACIVSA-N -1 1 286.339 1.570 20 0 CDADMM CCC1(COC(=O)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001590496882 1173434517 /nfs/dbraw/zinc/43/45/17/1173434517.db2.gz UZLNRZBZKOESCA-UHFFFAOYSA-N -1 1 273.296 1.609 20 0 CDADMM CCC1(COC(=O)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001590496882 1173434520 /nfs/dbraw/zinc/43/45/20/1173434520.db2.gz UZLNRZBZKOESCA-UHFFFAOYSA-N -1 1 273.296 1.609 20 0 CDADMM CC[C@H]1[C@H](C)CCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001590502288 1173437522 /nfs/dbraw/zinc/43/75/22/1173437522.db2.gz NLFGCAUCCOGTHS-SCZZXKLOSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@H]1[C@H](C)CCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001590502288 1173437535 /nfs/dbraw/zinc/43/75/35/1173437535.db2.gz NLFGCAUCCOGTHS-SCZZXKLOSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@H]1CCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590510795 1173443180 /nfs/dbraw/zinc/44/31/80/1173443180.db2.gz ZVTHNQGRFMTRHQ-DTWKUNHWSA-N -1 1 259.317 1.069 20 0 CDADMM CC[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590514304 1173446469 /nfs/dbraw/zinc/44/64/69/1173446469.db2.gz HPCPCBDPHWDSSI-SECBINFHSA-N -1 1 272.312 1.134 20 0 CDADMM CC[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590514304 1173446473 /nfs/dbraw/zinc/44/64/73/1173446473.db2.gz HPCPCBDPHWDSSI-SECBINFHSA-N -1 1 272.312 1.134 20 0 CDADMM CC[C@H]1CN(c2ccc(C)nc2-c2nnn[n-]2)CCO1 ZINC001590522516 1173448161 /nfs/dbraw/zinc/44/81/61/1173448161.db2.gz QVDCYRMLPWCOQR-JTQLQIEISA-N -1 1 274.328 1.185 20 0 CDADMM CC[C@H]1CN(c2ccc(C)nc2-c2nn[n-]n2)CCO1 ZINC001590522516 1173448177 /nfs/dbraw/zinc/44/81/77/1173448177.db2.gz QVDCYRMLPWCOQR-JTQLQIEISA-N -1 1 274.328 1.185 20 0 CDADMM CC[C@@H]1CN(c2cccnc2-c2nnn[n-]2)C[C@H](C)O1 ZINC001590523416 1173451293 /nfs/dbraw/zinc/45/12/93/1173451293.db2.gz XVMOOQQXZANLHA-VHSXEESVSA-N -1 1 274.328 1.265 20 0 CDADMM CC[C@@H]1CN(c2cccnc2-c2nn[n-]n2)C[C@H](C)O1 ZINC001590523416 1173451294 /nfs/dbraw/zinc/45/12/94/1173451294.db2.gz XVMOOQQXZANLHA-VHSXEESVSA-N -1 1 274.328 1.265 20 0 CDADMM CCCn1cc(Nc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001590663986 1173483227 /nfs/dbraw/zinc/48/32/27/1173483227.db2.gz HMQYVIJGKKXUPQ-UHFFFAOYSA-N -1 1 271.288 1.007 20 0 CDADMM CCCn1cc(Nc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001590663986 1173483233 /nfs/dbraw/zinc/48/32/33/1173483233.db2.gz HMQYVIJGKKXUPQ-UHFFFAOYSA-N -1 1 271.288 1.007 20 0 CDADMM CCC[C@@H]1C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590654160 1173483918 /nfs/dbraw/zinc/48/39/18/1173483918.db2.gz SOEGZZUSNHBTNH-PSASIEDQSA-N -1 1 275.312 1.687 20 0 CDADMM CCC[C@@H]1C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590654160 1173483924 /nfs/dbraw/zinc/48/39/24/1173483924.db2.gz SOEGZZUSNHBTNH-PSASIEDQSA-N -1 1 275.312 1.687 20 0 CDADMM CC[C@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001590869449 1173533488 /nfs/dbraw/zinc/53/34/88/1173533488.db2.gz LKSONKVNFANQEA-MGCOHNPYSA-N -1 1 273.344 1.459 20 0 CDADMM CCc1ccccc1C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001590896644 1173536864 /nfs/dbraw/zinc/53/68/64/1173536864.db2.gz PUMRJRWUJFPPBB-UHFFFAOYSA-N -1 1 297.322 1.713 20 0 CDADMM CCc1nc(N[C@@H]2CC[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001590917778 1173542526 /nfs/dbraw/zinc/54/25/26/1173542526.db2.gz YEEIBVHDNKSENQ-RKDXNWHRSA-N -1 1 273.344 1.820 20 0 CDADMM CCc1nc(N[C@@H]2CC[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001590917778 1173542529 /nfs/dbraw/zinc/54/25/29/1173542529.db2.gz YEEIBVHDNKSENQ-RKDXNWHRSA-N -1 1 273.344 1.820 20 0 CDADMM CCc1nc(N[C@H]2CC[C@H](OC)C2)cc(-c2nnn[n-]2)n1 ZINC001590917456 1173544591 /nfs/dbraw/zinc/54/45/91/1173544591.db2.gz QEBINURCJQROIT-IUCAKERBSA-N -1 1 289.343 1.199 20 0 CDADMM CCc1nc(N[C@H]2CC[C@H](OC)C2)cc(-c2nn[n-]n2)n1 ZINC001590917456 1173544593 /nfs/dbraw/zinc/54/45/93/1173544593.db2.gz QEBINURCJQROIT-IUCAKERBSA-N -1 1 289.343 1.199 20 0 CDADMM CCn1ncc(C)c1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590968729 1173553695 /nfs/dbraw/zinc/55/36/95/1173553695.db2.gz UMQFJSUOSCJXPB-UHFFFAOYSA-N -1 1 298.310 1.039 20 0 CDADMM CCn1ncc(C)c1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590968729 1173553700 /nfs/dbraw/zinc/55/37/00/1173553700.db2.gz UMQFJSUOSCJXPB-UHFFFAOYSA-N -1 1 298.310 1.039 20 0 CDADMM CN(CCCCO)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001591065640 1173568401 /nfs/dbraw/zinc/56/84/01/1173568401.db2.gz UKYCFJOIAVYDRF-UHFFFAOYSA-N -1 1 298.350 1.624 20 0 CDADMM CN(CCCCO)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001591065640 1173568406 /nfs/dbraw/zinc/56/84/06/1173568406.db2.gz UKYCFJOIAVYDRF-UHFFFAOYSA-N -1 1 298.350 1.624 20 0 CDADMM CN(Cc1ccc(-c2nn[n-]n2)s1)CC(F)(F)F ZINC001591138688 1173578121 /nfs/dbraw/zinc/57/81/21/1173578121.db2.gz GPTXBIYCZTVROB-UHFFFAOYSA-N -1 1 277.275 1.922 20 0 CDADMM COC(=O)c1cccc(Oc2ccncc2-c2nn[n-]n2)c1 ZINC001591303612 1173599334 /nfs/dbraw/zinc/59/93/34/1173599334.db2.gz ZMTBNLMUVTZFMQ-UHFFFAOYSA-N -1 1 297.274 1.841 20 0 CDADMM COC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC001591343581 1173620334 /nfs/dbraw/zinc/62/03/34/1173620334.db2.gz ZZUOILSHGQLDBZ-UHFFFAOYSA-N -1 1 289.343 1.418 20 0 CDADMM COC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC001591343581 1173620335 /nfs/dbraw/zinc/62/03/35/1173620335.db2.gz ZZUOILSHGQLDBZ-UHFFFAOYSA-N -1 1 289.343 1.418 20 0 CDADMM COCC1(CNc2cccnc2-c2nnn[n-]2)CC1 ZINC001591388293 1173640125 /nfs/dbraw/zinc/64/01/25/1173640125.db2.gz BIDGQPDYUPWJCG-UHFFFAOYSA-N -1 1 260.301 1.100 20 0 CDADMM COCC1(CNc2cccnc2-c2nn[n-]n2)CC1 ZINC001591388293 1173640128 /nfs/dbraw/zinc/64/01/28/1173640128.db2.gz BIDGQPDYUPWJCG-UHFFFAOYSA-N -1 1 260.301 1.100 20 0 CDADMM COCCC[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591407908 1173648076 /nfs/dbraw/zinc/64/80/76/1173648076.db2.gz RRDQHTHXMSONLZ-MRVPVSSYSA-N -1 1 296.352 1.900 20 0 CDADMM COCCC[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591407908 1173648083 /nfs/dbraw/zinc/64/80/83/1173648083.db2.gz RRDQHTHXMSONLZ-MRVPVSSYSA-N -1 1 296.352 1.900 20 0 CDADMM CO[C@@H]1CCC[C@H]1OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591469349 1173657106 /nfs/dbraw/zinc/65/71/06/1173657106.db2.gz VGGVAJNENUHOLL-HTQZYQBOSA-N -1 1 278.268 1.184 20 0 CDADMM COc1ccc(Cn2cc(C)cc(-c3nn[n-]n3)c2=O)cc1 ZINC001591604828 1173672857 /nfs/dbraw/zinc/67/28/57/1173672857.db2.gz JMXGIVJPKOYVKL-UHFFFAOYSA-N -1 1 297.318 1.394 20 0 CDADMM COc1cccc2c1CN(c1cccc(-c3nnn[n-]3)n1)C2 ZINC001591643878 1173677526 /nfs/dbraw/zinc/67/75/26/1173677526.db2.gz VACJVNYYPGMYAU-UHFFFAOYSA-N -1 1 294.318 1.791 20 0 CDADMM COc1cccc2c1CN(c1cccc(-c3nn[n-]n3)n1)C2 ZINC001591643878 1173677528 /nfs/dbraw/zinc/67/75/28/1173677528.db2.gz VACJVNYYPGMYAU-UHFFFAOYSA-N -1 1 294.318 1.791 20 0 CDADMM C[C@@H]1C[C@H](C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001591734440 1173694509 /nfs/dbraw/zinc/69/45/09/1173694509.db2.gz AXEMZIWIZGDXIG-NXEZZACHSA-N -1 1 273.344 1.529 20 0 CDADMM C[C@@H]1C[C@H](Sc2cccnc2-c2nnn[n-]2)CCO1 ZINC001591757862 1173696386 /nfs/dbraw/zinc/69/63/86/1173696386.db2.gz XBUXKSMPPCZVSP-RKDXNWHRSA-N -1 1 277.353 1.921 20 0 CDADMM C[C@@H]1C[C@H](Sc2cccnc2-c2nn[n-]n2)CCO1 ZINC001591757862 1173696391 /nfs/dbraw/zinc/69/63/91/1173696391.db2.gz XBUXKSMPPCZVSP-RKDXNWHRSA-N -1 1 277.353 1.921 20 0 CDADMM C[C@@]1(O)C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001591777673 1173701170 /nfs/dbraw/zinc/70/11/70/1173701170.db2.gz WQEJBCIAPFXHAK-BOCCDJDJSA-N -1 1 286.748 1.302 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2C[C@H]3CCC[C@H]32)n1 ZINC001591892756 1173741031 /nfs/dbraw/zinc/74/10/31/1173741031.db2.gz LQWDZBSKKIMRCP-OPRDCNLKSA-N -1 1 271.328 1.566 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2C[C@H]3CCC[C@H]32)n1 ZINC001591892756 1173741036 /nfs/dbraw/zinc/74/10/36/1173741036.db2.gz LQWDZBSKKIMRCP-OPRDCNLKSA-N -1 1 271.328 1.566 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@]2(C)CCCS2)n1 ZINC001591895819 1173742250 /nfs/dbraw/zinc/74/22/50/1173742250.db2.gz HKHCWXARJSNVJU-LBPRGKRZSA-N -1 1 291.384 1.663 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@]2(C)CCCS2)n1 ZINC001591895819 1173742257 /nfs/dbraw/zinc/74/22/57/1173742257.db2.gz HKHCWXARJSNVJU-LBPRGKRZSA-N -1 1 291.384 1.663 20 0 CDADMM Cc1cc(F)ccc1Cn1cc(-c2nn[n-]n2)ccc1=O ZINC001591993242 1173767281 /nfs/dbraw/zinc/76/72/81/1173767281.db2.gz ZIELFLXTOWWEBE-UHFFFAOYSA-N -1 1 285.282 1.524 20 0 CDADMM Cc1cc2c(cc1C)N(c1cc(-c3nnn[n-]3)ncn1)CC2 ZINC001592071021 1173795182 /nfs/dbraw/zinc/79/51/82/1173795182.db2.gz PYVOARNXNUJFCW-UHFFFAOYSA-N -1 1 293.334 1.968 20 0 CDADMM Cc1cc2c(cc1C)N(c1cc(-c3nn[n-]n3)ncn1)CC2 ZINC001592071021 1173795188 /nfs/dbraw/zinc/79/51/88/1173795188.db2.gz PYVOARNXNUJFCW-UHFFFAOYSA-N -1 1 293.334 1.968 20 0 CDADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCC[C@H]1C[C@H](C)O ZINC001592110355 1173802825 /nfs/dbraw/zinc/80/28/25/1173802825.db2.gz MMDVBEHAIJQFSZ-QWRGUYRKSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC[C@H]1C[C@H](C)O ZINC001592110355 1173802831 /nfs/dbraw/zinc/80/28/31/1173802831.db2.gz MMDVBEHAIJQFSZ-QWRGUYRKSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1ccc(CCNc2cc(-c3nnn[n-]3)ncn2)cn1 ZINC001592151462 1173811751 /nfs/dbraw/zinc/81/17/51/1173811751.db2.gz SMLZUDZCSLLOMY-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1ccc(CCNc2cc(-c3nn[n-]n3)ncn2)cn1 ZINC001592151462 1173811757 /nfs/dbraw/zinc/81/17/57/1173811757.db2.gz SMLZUDZCSLLOMY-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1ccc(N(C)C[C@H]2CCC[C@H]2O)nc1-c1nnn[n-]1 ZINC001592176024 1173822940 /nfs/dbraw/zinc/82/29/40/1173822940.db2.gz SKHRKNSHRJQRQI-GHMZBOCLSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(N(C)C[C@H]2CCC[C@H]2O)nc1-c1nn[n-]n1 ZINC001592176024 1173822943 /nfs/dbraw/zinc/82/29/43/1173822943.db2.gz SKHRKNSHRJQRQI-GHMZBOCLSA-N -1 1 288.355 1.167 20 0 CDADMM Cc1ccc(N2CC[C@@H](C)[C@H]2C)c(-c2nnn[n-]2)n1 ZINC001592176271 1173823713 /nfs/dbraw/zinc/82/37/13/1173823713.db2.gz YQBXABNMDIUIPI-PSASIEDQSA-N -1 1 258.329 1.805 20 0 CDADMM Cc1ccc(N2CC[C@@H](C)[C@H]2C)c(-c2nn[n-]n2)n1 ZINC001592176271 1173823717 /nfs/dbraw/zinc/82/37/17/1173823717.db2.gz YQBXABNMDIUIPI-PSASIEDQSA-N -1 1 258.329 1.805 20 0 CDADMM Cc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)c(O)c1 ZINC001592181079 1173826593 /nfs/dbraw/zinc/82/65/93/1173826593.db2.gz UUWGINDJSGHASC-UHFFFAOYSA-N -1 1 296.290 1.528 20 0 CDADMM Cc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)c(O)c1 ZINC001592181079 1173826600 /nfs/dbraw/zinc/82/66/00/1173826600.db2.gz UUWGINDJSGHASC-UHFFFAOYSA-N -1 1 296.290 1.528 20 0 CDADMM Cc1ccc(NCCC(C)(C)O)c(-c2nnn[n-]2)n1 ZINC001592183852 1173827847 /nfs/dbraw/zinc/82/78/47/1173827847.db2.gz YFVQSYCFCWHMPJ-UHFFFAOYSA-N -1 1 262.317 1.143 20 0 CDADMM Cc1ccc(NCCC(C)(C)O)c(-c2nn[n-]n2)n1 ZINC001592183852 1173827849 /nfs/dbraw/zinc/82/78/49/1173827849.db2.gz YFVQSYCFCWHMPJ-UHFFFAOYSA-N -1 1 262.317 1.143 20 0 CDADMM Cc1cc(CCNc2ccc(C)c(-c3nnn[n-]3)n2)nn1C ZINC001592186465 1173831468 /nfs/dbraw/zinc/83/14/68/1173831468.db2.gz XEHFLVQRVDACKZ-UHFFFAOYSA-N -1 1 298.354 1.267 20 0 CDADMM Cc1cc(CCNc2ccc(C)c(-c3nn[n-]n3)n2)nn1C ZINC001592186465 1173831474 /nfs/dbraw/zinc/83/14/74/1173831474.db2.gz XEHFLVQRVDACKZ-UHFFFAOYSA-N -1 1 298.354 1.267 20 0 CDADMM Cc1ccoc1CN(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001592281813 1173846907 /nfs/dbraw/zinc/84/69/07/1173846907.db2.gz CMMBUQOFUBBIRO-UHFFFAOYSA-N -1 1 287.279 1.633 20 0 CDADMM Cc1ccoc1CN(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001592281813 1173846916 /nfs/dbraw/zinc/84/69/16/1173846916.db2.gz CMMBUQOFUBBIRO-UHFFFAOYSA-N -1 1 287.279 1.633 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(CC(F)(F)C(F)F)c1C ZINC001592339115 1173859317 /nfs/dbraw/zinc/85/93/17/1173859317.db2.gz DUUAYDAKWQEWEP-UHFFFAOYSA-N -1 1 278.213 1.580 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(CC(F)(F)C(F)F)c1C ZINC001592339115 1173859319 /nfs/dbraw/zinc/85/93/19/1173859319.db2.gz DUUAYDAKWQEWEP-UHFFFAOYSA-N -1 1 278.213 1.580 20 0 CDADMM Cc1nc(N[C@H](C)[C@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001592378140 1173873666 /nfs/dbraw/zinc/87/36/66/1173873666.db2.gz DGLJGEKOKWAPDM-SCZZXKLOSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1nc(N[C@H](C)[C@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001592378140 1173873673 /nfs/dbraw/zinc/87/36/73/1173873673.db2.gz DGLJGEKOKWAPDM-SCZZXKLOSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1nc(NC[C@H](C)c2ccncc2)cc(-c2nnn[n-]2)n1 ZINC001592384443 1173877079 /nfs/dbraw/zinc/87/70/79/1173877079.db2.gz LNYWFRXHEZCAKK-VIFPVBQESA-N -1 1 296.338 1.576 20 0 CDADMM Cc1nc(NC[C@H](C)c2ccncc2)cc(-c2nn[n-]n2)n1 ZINC001592384443 1173877090 /nfs/dbraw/zinc/87/70/90/1173877090.db2.gz LNYWFRXHEZCAKK-VIFPVBQESA-N -1 1 296.338 1.576 20 0 CDADMM Cc1nn(C)c(C)c1OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592430659 1173886529 /nfs/dbraw/zinc/88/65/29/1173886529.db2.gz WMHROMYWZJGBLS-UHFFFAOYSA-N -1 1 288.267 1.029 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc(Cn2cccn2)no1 ZINC001592495328 1173904704 /nfs/dbraw/zinc/90/47/04/1173904704.db2.gz KJFUACLYRIIWRL-UHFFFAOYSA-N -1 1 298.266 1.063 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc(Cn2cccn2)no1 ZINC001592495328 1173904706 /nfs/dbraw/zinc/90/47/06/1173904706.db2.gz KJFUACLYRIIWRL-UHFFFAOYSA-N -1 1 298.266 1.063 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CC[C@@H]1C ZINC001592499993 1173908922 /nfs/dbraw/zinc/90/89/22/1173908922.db2.gz UDCHRHSEVGFOPQ-RCOVLWMOSA-N -1 1 261.285 1.296 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CC[C@@H]1C ZINC001592499993 1173908926 /nfs/dbraw/zinc/90/89/26/1173908926.db2.gz UDCHRHSEVGFOPQ-RCOVLWMOSA-N -1 1 261.285 1.296 20 0 CDADMM FC1(F)CCCC[C@H]1COc1cnc(-c2nn[n-]n2)nc1 ZINC001592628292 1173934884 /nfs/dbraw/zinc/93/48/84/1173934884.db2.gz QJXKQDJVGNCQIM-QMMMGPOBSA-N -1 1 296.281 1.861 20 0 CDADMM FC1(F)CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001592628151 1173935791 /nfs/dbraw/zinc/93/57/91/1173935791.db2.gz MSVVWJWXTOAKCW-MRVPVSSYSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(F)CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001592628151 1173935798 /nfs/dbraw/zinc/93/57/98/1173935798.db2.gz MSVVWJWXTOAKCW-MRVPVSSYSA-N -1 1 295.297 1.894 20 0 CDADMM Fc1ccc(OCc2cncs2)c(-c2nnn[n-]2)n1 ZINC001592652282 1173952284 /nfs/dbraw/zinc/95/22/84/1173952284.db2.gz BOXFYJPCTPKTMW-UHFFFAOYSA-N -1 1 278.272 1.436 20 0 CDADMM Fc1ccc(OCc2cncs2)c(-c2nn[n-]n2)n1 ZINC001592652282 1173952287 /nfs/dbraw/zinc/95/22/87/1173952287.db2.gz BOXFYJPCTPKTMW-UHFFFAOYSA-N -1 1 278.272 1.436 20 0 CDADMM Fc1cccc([C@H]2CCN2c2cncc(-c3nnn[n-]3)n2)c1 ZINC001592653853 1173956028 /nfs/dbraw/zinc/95/60/28/1173956028.db2.gz DQVBYSPFDPFHQJ-GFCCVEGCSA-N -1 1 297.297 1.747 20 0 CDADMM Fc1cccc([C@H]2CCN2c2cncc(-c3nn[n-]n3)n2)c1 ZINC001592653853 1173956035 /nfs/dbraw/zinc/95/60/35/1173956035.db2.gz DQVBYSPFDPFHQJ-GFCCVEGCSA-N -1 1 297.297 1.747 20 0 CDADMM NC(=NOCc1ccc(-c2nn[n-]n2)s1)[C@H]1CCCO1 ZINC001592711110 1173982483 /nfs/dbraw/zinc/98/24/83/1173982483.db2.gz ISZYIIVENCRVNT-MRVPVSSYSA-N -1 1 294.340 1.106 20 0 CDADMM O=C(N[C@@H]1C=CCC1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001592965567 1174007656 /nfs/dbraw/zinc/00/76/56/1174007656.db2.gz MBPQLAYVRMWMQI-SSDOTTSWSA-N -1 1 290.714 1.364 20 0 CDADMM O=C([O-])C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)o1 ZINC001593276178 1174047387 /nfs/dbraw/zinc/04/73/87/1174047387.db2.gz HLYLNZSNFYTVHK-VIFPVBQESA-N -1 1 291.311 1.289 20 0 CDADMM O=C([O-])C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[n-]n2)o1 ZINC001593276178 1174047404 /nfs/dbraw/zinc/04/74/04/1174047404.db2.gz HLYLNZSNFYTVHK-VIFPVBQESA-N -1 1 291.311 1.289 20 0 CDADMM O=C([O-])C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2nn[n-]n2)o1 ZINC001593276178 1174047411 /nfs/dbraw/zinc/04/74/11/1174047411.db2.gz HLYLNZSNFYTVHK-VIFPVBQESA-N -1 1 291.311 1.289 20 0 CDADMM O=C(OCC[C@@H]1CC1(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC001593286048 1174051202 /nfs/dbraw/zinc/05/12/02/1174051202.db2.gz ARDMCVHOUFWMLB-MRVPVSSYSA-N -1 1 295.249 1.464 20 0 CDADMM O=C(OCC[C@@H]1CC1(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC001593286048 1174051208 /nfs/dbraw/zinc/05/12/08/1174051208.db2.gz ARDMCVHOUFWMLB-MRVPVSSYSA-N -1 1 295.249 1.464 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC2(CC2)CC1 ZINC001593340218 1174068792 /nfs/dbraw/zinc/06/87/92/1174068792.db2.gz GOBMPDCCIKJFOT-UHFFFAOYSA-N -1 1 273.296 1.476 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC2(CC2)CC1 ZINC001593340218 1174068799 /nfs/dbraw/zinc/06/87/99/1174068799.db2.gz GOBMPDCCIKJFOT-UHFFFAOYSA-N -1 1 273.296 1.476 20 0 CDADMM c1cc(-c2nn[n-]n2)sc1-c1cn2c(n1)COCC2 ZINC001593551016 1174123382 /nfs/dbraw/zinc/12/33/82/1174123382.db2.gz GQKNYXGJWKICEH-UHFFFAOYSA-N -1 1 274.309 1.322 20 0 CDADMM c1ccc(CC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)cc1 ZINC001593572240 1174142772 /nfs/dbraw/zinc/14/27/72/1174142772.db2.gz VAPUNXISBLBXMZ-UHFFFAOYSA-N -1 1 293.334 1.844 20 0 CDADMM c1ccc(CC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001593572240 1174142777 /nfs/dbraw/zinc/14/27/77/1174142777.db2.gz VAPUNXISBLBXMZ-UHFFFAOYSA-N -1 1 293.334 1.844 20 0 CDADMM c1ccc(NCCCNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001593577002 1174144695 /nfs/dbraw/zinc/14/46/95/1174144695.db2.gz QCPNUGVDGISCDT-UHFFFAOYSA-N -1 1 296.338 1.571 20 0 CDADMM c1ccc(NCCCNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001593577002 1174144698 /nfs/dbraw/zinc/14/46/98/1174144698.db2.gz QCPNUGVDGISCDT-UHFFFAOYSA-N -1 1 296.338 1.571 20 0 CDADMM c1ccc2c(c1)C[C@@H]1[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]21 ZINC001593579401 1174144915 /nfs/dbraw/zinc/14/49/15/1174144915.db2.gz GAJOSHMVDOUFCP-ZLKJLUDKSA-N -1 1 291.318 1.407 20 0 CDADMM c1ccc2c(c1)C[C@@H]1[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]21 ZINC001593579401 1174144917 /nfs/dbraw/zinc/14/49/17/1174144917.db2.gz GAJOSHMVDOUFCP-ZLKJLUDKSA-N -1 1 291.318 1.407 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(SCOC2CCC2)c1 ZINC001593583597 1174150639 /nfs/dbraw/zinc/15/06/39/1174150639.db2.gz AIRRTGHZYKJJQY-UHFFFAOYSA-N -1 1 263.326 1.880 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(SCOC2CCC2)c1 ZINC001593583597 1174150645 /nfs/dbraw/zinc/15/06/45/1174150645.db2.gz AIRRTGHZYKJJQY-UHFFFAOYSA-N -1 1 263.326 1.880 20 0 CDADMM c1cnc2c(c1)CCC[C@H]2Nc1ncncc1-c1nn[n-]n1 ZINC001593587322 1174152538 /nfs/dbraw/zinc/15/25/38/1174152538.db2.gz HEIODDVZDSFWIK-LLVKDONJSA-N -1 1 294.322 1.541 20 0 CDADMM c1nc(N[C@@H]2C[C@@H]3CCC[C@@H]23)cc(-c2nnn[n-]2)n1 ZINC001593591091 1174160618 /nfs/dbraw/zinc/16/06/18/1174160618.db2.gz LGVXFNFHWRLVTE-DJLDLDEBSA-N -1 1 257.301 1.257 20 0 CDADMM c1nc(N[C@@H]2C[C@@H]3CCC[C@@H]23)cc(-c2nn[n-]n2)n1 ZINC001593591091 1174160623 /nfs/dbraw/zinc/16/06/23/1174160623.db2.gz LGVXFNFHWRLVTE-DJLDLDEBSA-N -1 1 257.301 1.257 20 0 CDADMM Cc1cc([C@H](NC(=O)c2[nH]ncc2F)C(=O)[O-])ccc1F ZINC001600149675 1174380869 /nfs/dbraw/zinc/38/08/69/1174380869.db2.gz USDSCRAUDWKXNQ-JTQLQIEISA-N -1 1 295.245 1.552 20 0 CDADMM Fc1ccc(F)c(CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC000095142012 1174497006 /nfs/dbraw/zinc/49/70/06/1174497006.db2.gz ITFUGZNYEYXLCL-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM Fc1ccc(F)c(CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC000095142012 1174497012 /nfs/dbraw/zinc/49/70/12/1174497012.db2.gz ITFUGZNYEYXLCL-UHFFFAOYSA-N -1 1 289.249 1.547 20 0 CDADMM Cc1ccccc1[C@@H](CO)NCc1cncc(C(=O)[O-])c1 ZINC001600568900 1174508925 /nfs/dbraw/zinc/50/89/25/1174508925.db2.gz GZHTWUNCNHTDSZ-OAHLLOKOSA-N -1 1 286.331 1.911 20 0 CDADMM Cc1nccc(N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1Cl ZINC001600751191 1174590162 /nfs/dbraw/zinc/59/01/62/1174590162.db2.gz UHCHBJPCSYFUPG-MBTKJCJQSA-N -1 1 252.701 1.810 20 0 CDADMM Cc1oc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1C(=O)[O-] ZINC001600846050 1174641150 /nfs/dbraw/zinc/64/11/50/1174641150.db2.gz URVVKZAXVQECER-KCJUWKMLSA-N -1 1 281.308 1.829 20 0 CDADMM CN(Cc1cccnc1)c1ccnc(-c2nnn[n-]2)c1 ZINC000103621788 1174684663 /nfs/dbraw/zinc/68/46/63/1174684663.db2.gz XLZXUTDSYIAKCU-UHFFFAOYSA-N -1 1 267.296 1.293 20 0 CDADMM CN(Cc1cccnc1)c1ccnc(-c2nn[n-]n2)c1 ZINC000103621788 1174684668 /nfs/dbraw/zinc/68/46/68/1174684668.db2.gz XLZXUTDSYIAKCU-UHFFFAOYSA-N -1 1 267.296 1.293 20 0 CDADMM Cn1cncc1CN[C@H](C(=O)[O-])c1cccc(O)c1 ZINC001600994311 1174695950 /nfs/dbraw/zinc/69/59/50/1174695950.db2.gz NYOFVIANQXCJFB-LBPRGKRZSA-N -1 1 261.281 1.041 20 0 CDADMM Cn1cncc1CCN1Cc2ccc(C(=O)[O-])cc2C1 ZINC001600993341 1174696335 /nfs/dbraw/zinc/69/63/35/1174696335.db2.gz OWTSABZGUSSGOH-UHFFFAOYSA-N -1 1 271.320 1.677 20 0 CDADMM Cn1nccc1[C@@H](NCc1cncc(Cl)c1)C(=O)[O-] ZINC001601034632 1174710366 /nfs/dbraw/zinc/71/03/66/1174710366.db2.gz OGEJVKQRNKGUGC-LLVKDONJSA-N -1 1 280.715 1.384 20 0 CDADMM Nc1cc(N)nc(SC[C@@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC001601213358 1174791662 /nfs/dbraw/zinc/79/16/62/1174791662.db2.gz ASWDJUHLGDLLGE-JGVFFNPUSA-N -1 1 282.369 1.624 20 0 CDADMM O=C([O-])[C@@H](c1ccc(Cl)cc1)N1CCc2n[nH]nc2C1 ZINC001601687962 1174945389 /nfs/dbraw/zinc/94/53/89/1174945389.db2.gz AYXXJLCILBSXMC-GFCCVEGCSA-N -1 1 292.726 1.642 20 0 CDADMM O=C([O-])[C@@H](c1ccccc1)N1CCc2nc[nH]c2C1 ZINC001601696607 1174949162 /nfs/dbraw/zinc/94/91/62/1174949162.db2.gz SARSATQRQWGNNO-CYBMUJFWSA-N -1 1 257.293 1.594 20 0 CDADMM O=C([O-])[C@]1(O)CCN(Cc2cccc(OC3CC3)c2F)C1 ZINC001601723420 1174968370 /nfs/dbraw/zinc/96/83/70/1174968370.db2.gz LUOJMOBDYKMRRU-HNNXBMFYSA-N -1 1 295.310 1.388 20 0 CDADMM O=C([O-])[C@]1(O)CCN(Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC001601723219 1174968857 /nfs/dbraw/zinc/96/88/57/1174968857.db2.gz DDVMVIDZNUJCOF-GWCFXTLKSA-N -1 1 298.364 1.016 20 0 CDADMM O=C([O-])C1=CC[C@H](N[C@H](c2nnc[nH]2)c2cccnc2)C1 ZINC001601737783 1174977269 /nfs/dbraw/zinc/97/72/69/1174977269.db2.gz PFZUZZDSBXYJKN-RYUDHWBXSA-N -1 1 285.307 1.052 20 0 CDADMM O=C([O-])[C@@H]1CCN(Cc2ncccn2)[C@H]2CCC[C@@H]21 ZINC001601828418 1175026263 /nfs/dbraw/zinc/02/62/63/1175026263.db2.gz WSNWERLYYHJHOO-UTUOFQBUSA-N -1 1 261.325 1.552 20 0 CDADMM O=C([O-])C[C@H]1COCCN1Cc1cccc2ncccc12 ZINC001601962984 1175088730 /nfs/dbraw/zinc/08/87/30/1175088730.db2.gz CHQQJWSGGNWCKH-ZDUSSCGKSA-N -1 1 286.331 1.910 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1cccc2c1NCCC2 ZINC001602192782 1175157634 /nfs/dbraw/zinc/15/76/34/1175157634.db2.gz SEFNTWVBEDJKLP-OLZOCXBDSA-N -1 1 276.336 1.065 20 0 CDADMM O=C([O-])c1ccc(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)s1 ZINC001602337240 1175212279 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C[C@@H](NC(=O)CC(=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000737675188 574484863 /nfs/dbraw/zinc/48/48/63/574484863.db2.gz FWHLDXWCAIXYNW-ZCFIWIBFSA-N -1 1 281.699 1.868 20 0 CDADMM Cc1oc(C(=O)[O-])cc1CN1CCC[C@H](n2cncn2)C1 ZINC000738962504 574486821 /nfs/dbraw/zinc/48/68/21/574486821.db2.gz AUJMHCUUVQNXMB-LBPRGKRZSA-N -1 1 290.323 1.715 20 0 CDADMM O=C(CN1CCC12CCCC2)NC1(C(=O)[O-])CCCCC1 ZINC001601308004 1174832138 /nfs/dbraw/zinc/83/21/38/1174832138.db2.gz KGRZCSKBKCWKFM-UHFFFAOYSA-N -1 1 294.395 1.909 20 0 CDADMM NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730358525 574924479 /nfs/dbraw/zinc/92/44/79/574924479.db2.gz CYPXZMHTPYMFJX-UHFFFAOYSA-N -1 1 264.064 1.341 20 0 CDADMM COCCN1CCN(Cc2occc2C(=O)[O-])C[C@H]1C ZINC000737814831 575047931 /nfs/dbraw/zinc/04/79/31/575047931.db2.gz ZGQBUASEFSSYCP-LLVKDONJSA-N -1 1 282.340 1.130 20 0 CDADMM COc1cc(S(=O)(=O)[N-]CC(F)F)cnc1Cl ZINC000767794988 576229831 /nfs/dbraw/zinc/22/98/31/576229831.db2.gz MWYQMTBWHWIAIF-UHFFFAOYSA-N -1 1 286.687 1.287 20 0 CDADMM CC1(C(=O)OCCC[N-]C(=O)C(F)(F)F)CC1 ZINC000774968196 575256725 /nfs/dbraw/zinc/25/67/25/575256725.db2.gz BTPDRAYNDNYZRN-UHFFFAOYSA-N -1 1 253.220 1.398 20 0 CDADMM CCC[C@@H](NC(=O)[C@H](F)c1ccccc1)c1nn[n-]n1 ZINC000769588109 575361949 /nfs/dbraw/zinc/36/19/49/575361949.db2.gz NVXMPUFPLWMBRC-GHMZBOCLSA-N -1 1 277.303 1.868 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](CO)CC1CC1 ZINC000770986393 575525182 /nfs/dbraw/zinc/52/51/82/575525182.db2.gz YUNZZPNTUDAQMX-LLVKDONJSA-N -1 1 293.367 1.505 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCCC1 ZINC000736117912 575572929 /nfs/dbraw/zinc/57/29/29/575572929.db2.gz HWCXYJYMZDAHNF-VIFPVBQESA-N -1 1 286.339 1.570 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CCCC1 ZINC000736117912 575572931 /nfs/dbraw/zinc/57/29/31/575572931.db2.gz HWCXYJYMZDAHNF-VIFPVBQESA-N -1 1 286.339 1.570 20 0 CDADMM C[C@H]1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736254910 575605744 /nfs/dbraw/zinc/60/57/44/575605744.db2.gz UHTYTUZBKWXBSQ-GXSJLCMTSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736254910 575605747 /nfs/dbraw/zinc/60/57/47/575605747.db2.gz UHTYTUZBKWXBSQ-GXSJLCMTSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736265926 575608471 /nfs/dbraw/zinc/60/84/71/575608471.db2.gz LPDJCFKZBLTHIB-SNVBAGLBSA-N -1 1 286.339 1.524 20 0 CDADMM C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736265926 575608474 /nfs/dbraw/zinc/60/84/74/575608474.db2.gz LPDJCFKZBLTHIB-SNVBAGLBSA-N -1 1 286.339 1.524 20 0 CDADMM C[C@@H]1[C@H](C)SCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000736300685 575615401 /nfs/dbraw/zinc/61/54/01/575615401.db2.gz DODXRJSXKPIEQQ-BDAKNGLRSA-N -1 1 276.369 1.592 20 0 CDADMM C[C@@H]1[C@H](C)SCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000736300685 575615402 /nfs/dbraw/zinc/61/54/02/575615402.db2.gz DODXRJSXKPIEQQ-BDAKNGLRSA-N -1 1 276.369 1.592 20 0 CDADMM CC(C)C[C@H](NC(=O)CN1CCCC(C)(C)C1)C(=O)[O-] ZINC000736413131 575654617 /nfs/dbraw/zinc/65/46/17/575654617.db2.gz RRHGLJOXLXBGRA-LBPRGKRZSA-N -1 1 284.400 1.724 20 0 CDADMM C[C@H](C(=O)N1CCc2ccccc21)[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000736576342 575695014 /nfs/dbraw/zinc/69/50/14/575695014.db2.gz YBKZLLFKLBQRNV-NWDGAFQWSA-N -1 1 290.363 1.617 20 0 CDADMM C[C@H](CN(Cn1cc(Cl)cn1)C1CC1)C(=O)[O-] ZINC000736582257 575697266 /nfs/dbraw/zinc/69/72/66/575697266.db2.gz MOMGGWAAPWPFHR-MRVPVSSYSA-N -1 1 257.721 1.679 20 0 CDADMM C[C@@H](CN(CN1CCSC1=S)C1CC1)C(=O)[O-] ZINC000736585857 575697556 /nfs/dbraw/zinc/69/75/56/575697556.db2.gz XQEBSMXHGKRAHO-QMMMGPOBSA-N -1 1 274.411 1.463 20 0 CDADMM Cc1noc(C)c1CC(=O)[N-]OC1CCOCC1 ZINC000772721294 575743015 /nfs/dbraw/zinc/74/30/15/575743015.db2.gz AFVNKFKBQKCNJC-UHFFFAOYSA-N -1 1 254.286 1.061 20 0 CDADMM CC[C@@](C)(NCC(=O)NCC1CCCCC1)C(=O)[O-] ZINC000736860916 575765306 /nfs/dbraw/zinc/76/53/06/575765306.db2.gz DANJLBHCAYZNIS-CQSZACIVSA-N -1 1 270.373 1.526 20 0 CDADMM CCCCNC(=O)COC(=O)c1ccc([O-])cc1F ZINC000773568322 575826882 /nfs/dbraw/zinc/82/68/82/575826882.db2.gz FYCAACVTMSUXIT-UHFFFAOYSA-N -1 1 269.272 1.604 20 0 CDADMM COc1cccc(CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC000737132861 575829416 /nfs/dbraw/zinc/82/94/16/575829416.db2.gz SWLNRWSFTSSKEB-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM COc1cccc(CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC000737132861 575829418 /nfs/dbraw/zinc/82/94/18/575829418.db2.gz SWLNRWSFTSSKEB-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM C[C@@H](CN(C)C(=O)c1nc(Cl)ccc1F)c1nn[n-]n1 ZINC000774006351 575848172 /nfs/dbraw/zinc/84/81/72/575848172.db2.gz WKUSWBIAPAARLK-LURJTMIESA-N -1 1 298.709 1.263 20 0 CDADMM CN(C)C(=O)[C@@H]1CCCN1Cc1ccc(F)cc1C(=O)[O-] ZINC000737349265 575944948 /nfs/dbraw/zinc/94/49/48/575944948.db2.gz YPCWFJNNMLRDBR-ZDUSSCGKSA-N -1 1 294.326 1.577 20 0 CDADMM CN(C)[C@H](CNC(=O)C(C)(C)NC(=O)[O-])c1ccsc1 ZINC000737362357 575947189 /nfs/dbraw/zinc/94/71/89/575947189.db2.gz UQHCZTJEWGBYTP-SNVBAGLBSA-N -1 1 299.396 1.513 20 0 CDADMM CN1CCC[C@H]1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000737519066 575981548 /nfs/dbraw/zinc/98/15/48/575981548.db2.gz GPADQGHSQYTYHG-KGLIPLIRSA-N -1 1 290.363 1.803 20 0 CDADMM CN1CCCN(C(=O)c2ccccc2NC(=O)[O-])CC1 ZINC000737518524 575981787 /nfs/dbraw/zinc/98/17/87/575981787.db2.gz QAPJQTBWUAWTIB-UHFFFAOYSA-N -1 1 277.324 1.554 20 0 CDADMM CN1CCCC[C@H]1C(=O)NCCCCCCC(=O)[O-] ZINC000737519001 575981870 /nfs/dbraw/zinc/98/18/70/575981870.db2.gz VQELIDUZASAQJW-LBPRGKRZSA-N -1 1 270.373 1.622 20 0 CDADMM Clc1ccc(NCc2nccs2)nc1-c1nnn[n-]1 ZINC000737575359 575994332 /nfs/dbraw/zinc/99/43/32/575994332.db2.gz ROKZPLOZWSPAEC-UHFFFAOYSA-N -1 1 293.743 1.984 20 0 CDADMM Clc1ccc(NCc2nccs2)nc1-c1nn[n-]n1 ZINC000737575359 575994333 /nfs/dbraw/zinc/99/43/33/575994333.db2.gz ROKZPLOZWSPAEC-UHFFFAOYSA-N -1 1 293.743 1.984 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CC1=CCCCC1 ZINC000737777305 576011120 /nfs/dbraw/zinc/01/11/20/576011120.db2.gz UBEOLYXZNNDYBY-UHFFFAOYSA-N -1 1 273.300 1.176 20 0 CDADMM Cn1[n-]c(COC(=O)/C=C/c2ccccc2F)nc1=O ZINC000765410910 576018310 /nfs/dbraw/zinc/01/83/10/576018310.db2.gz RVDBTVMWIFQKJH-VOTSOKGWSA-N -1 1 277.255 1.004 20 0 CDADMM Cn1[n-]c(COC(=O)c2ccc3ccccc3c2O)nc1=O ZINC000765410933 576018390 /nfs/dbraw/zinc/01/83/90/576018390.db2.gz SQDWBFMNNVPUDF-UHFFFAOYSA-N -1 1 299.286 1.324 20 0 CDADMM C/C(=C/C(=O)OCc1nc(=O)n(C)[n-]1)c1ccc(F)cc1 ZINC000765459306 576025681 /nfs/dbraw/zinc/02/56/81/576025681.db2.gz IULNXVRNBAZDFA-CLFYSBASSA-N -1 1 291.282 1.394 20 0 CDADMM CCCCC[C@@H](C)CC(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765490274 576029454 /nfs/dbraw/zinc/02/94/54/576029454.db2.gz ZAWDFTWHUKWYFS-SNVBAGLBSA-N -1 1 269.345 1.758 20 0 CDADMM Cn1[n-]c(COC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)nc1=O ZINC000765498987 576031383 /nfs/dbraw/zinc/03/13/83/576031383.db2.gz YXASJUYVFSUTFC-GRYCIOLGSA-N -1 1 293.367 1.758 20 0 CDADMM c1ccc2c(c1)CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC000738443578 576075340 /nfs/dbraw/zinc/07/53/40/576075340.db2.gz XZKLVBBYOSBDBC-UHFFFAOYSA-N -1 1 293.334 1.262 20 0 CDADMM c1ccc2c(c1)CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC000738443578 576075342 /nfs/dbraw/zinc/07/53/42/576075342.db2.gz XZKLVBBYOSBDBC-UHFFFAOYSA-N -1 1 293.334 1.262 20 0 CDADMM C[C@@H](N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C(=O)[O-] ZINC000739034735 576152744 /nfs/dbraw/zinc/15/27/44/576152744.db2.gz ZZXMMPGONAHAPQ-LDYMZIIASA-N -1 1 282.727 1.508 20 0 CDADMM O=C(NN1CCCc2ccccc21)c1ncccc1[O-] ZINC000767058815 576156672 /nfs/dbraw/zinc/15/66/72/576156672.db2.gz GKWHKVLHSYLREW-UHFFFAOYSA-N -1 1 269.304 1.885 20 0 CDADMM CCOC(=O)[C@@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000767323788 576179047 /nfs/dbraw/zinc/17/90/47/576179047.db2.gz WZIBORJBMVIXHK-SSDOTTSWSA-N -1 1 255.245 1.213 20 0 CDADMM O=C([O-])c1cc(F)ccc1CN1CCC(O)CC1 ZINC000740080184 576421029 /nfs/dbraw/zinc/42/10/29/576421029.db2.gz YESAZOAIOAOABR-UHFFFAOYSA-N -1 1 253.273 1.481 20 0 CDADMM O=C(C[C@@H](O)c1cccc(F)c1)[N-]OCC(F)F ZINC000760147116 576461305 /nfs/dbraw/zinc/46/13/05/576461305.db2.gz LMHPRUXXNCBLMQ-SECBINFHSA-N -1 1 263.215 1.562 20 0 CDADMM Cc1noc(Cl)c1CCC(=O)[N-]OCC(F)F ZINC000760155278 576462097 /nfs/dbraw/zinc/46/20/97/576462097.db2.gz BXJPUASMBRFWQM-UHFFFAOYSA-N -1 1 268.647 1.882 20 0 CDADMM O=C([N-]CCCOC[C@@H]1CCOC1)C(F)(F)F ZINC000740843962 576517700 /nfs/dbraw/zinc/51/77/00/576517700.db2.gz MFGCGEOXAAVEDC-QMMMGPOBSA-N -1 1 255.236 1.108 20 0 CDADMM CSC1(C[N-]C(=O)C(F)(F)F)CCOCC1 ZINC000742108954 576582140 /nfs/dbraw/zinc/58/21/40/576582140.db2.gz IFMJMISPJRBNDA-UHFFFAOYSA-N -1 1 257.277 1.577 20 0 CDADMM O=C([O-])CC1CCN(Cc2ccncc2F)CC1 ZINC001601957070 1175086046 /nfs/dbraw/zinc/08/60/46/1175086046.db2.gz UFTAYEIDNZMVPK-UHFFFAOYSA-N -1 1 252.289 1.907 20 0 CDADMM Cc1ccc(CC[C@H](C)Nc2nccnc2-c2nnn[n-]2)o1 ZINC000822235896 599064934 /nfs/dbraw/zinc/06/49/34/599064934.db2.gz BCNLIXVBLFLYKY-VIFPVBQESA-N -1 1 299.338 1.991 20 0 CDADMM Cc1ccc(CC[C@H](C)Nc2nccnc2-c2nn[n-]n2)o1 ZINC000822235896 599064937 /nfs/dbraw/zinc/06/49/37/599064937.db2.gz BCNLIXVBLFLYKY-VIFPVBQESA-N -1 1 299.338 1.991 20 0 CDADMM C[C@H]1CN(CN2C(=O)SC(C)(C)C2=O)C[C@H]1C(=O)[O-] ZINC000828451530 601812576 /nfs/dbraw/zinc/81/25/76/601812576.db2.gz UHUMTBYFQVUCKM-JGVFFNPUSA-N -1 1 286.353 1.070 20 0 CDADMM Clc1ccc(NCCOC2CCC2)nc1-c1nnn[n-]1 ZINC000822578296 599084001 /nfs/dbraw/zinc/08/40/01/599084001.db2.gz GJDISHRRRBHYFV-UHFFFAOYSA-N -1 1 294.746 1.896 20 0 CDADMM Clc1ccc(NCCOC2CCC2)nc1-c1nn[n-]n1 ZINC000822578296 599084003 /nfs/dbraw/zinc/08/40/03/599084003.db2.gz GJDISHRRRBHYFV-UHFFFAOYSA-N -1 1 294.746 1.896 20 0 CDADMM Cc1nn(C)c(Cl)c1CN(C)CCCC(=O)[O-] ZINC000042716554 597061674 /nfs/dbraw/zinc/06/16/74/597061674.db2.gz GAUIFWGPMNDDBP-UHFFFAOYSA-N -1 1 259.737 1.679 20 0 CDADMM O=C([O-])c1ccc(CS(=O)(=O)c2ncc[nH]2)cc1 ZINC000819687198 597283562 /nfs/dbraw/zinc/28/35/62/597283562.db2.gz KKNLSOSBWOFGRE-UHFFFAOYSA-N -1 1 266.278 1.082 20 0 CDADMM C[C@H](Cc1ccsc1)N1CCO[C@H](C(=O)[O-])C1 ZINC000689948245 597731433 /nfs/dbraw/zinc/73/14/33/597731433.db2.gz DDBDWOPSRAWRMJ-KOLCDFICSA-N -1 1 255.339 1.465 20 0 CDADMM CCc1nc(CN2CCN(CCCCC(=O)[O-])CC2)no1 ZINC000820492770 597796273 /nfs/dbraw/zinc/79/62/73/597796273.db2.gz QGBWTYSFYMSWHD-UHFFFAOYSA-N -1 1 296.371 1.005 20 0 CDADMM c1ccc(Sc2nccnc2-c2nn[n-]n2)cc1 ZINC000095249981 598336115 /nfs/dbraw/zinc/33/61/15/598336115.db2.gz BOYMZYZLKZUACB-UHFFFAOYSA-N -1 1 256.294 1.808 20 0 CDADMM CCO[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000095281666 599416032 /nfs/dbraw/zinc/41/60/32/599416032.db2.gz GXLXZKOZAUWLDV-SNVBAGLBSA-N -1 1 274.328 1.267 20 0 CDADMM CCO[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000095281666 599416033 /nfs/dbraw/zinc/41/60/33/599416033.db2.gz GXLXZKOZAUWLDV-SNVBAGLBSA-N -1 1 274.328 1.267 20 0 CDADMM CN(C[C@H]1CCCOC1)c1cccc(-c2nnn[n-]2)n1 ZINC000095294142 599433649 /nfs/dbraw/zinc/43/36/49/599433649.db2.gz LQFPQWMFINURRJ-SNVBAGLBSA-N -1 1 274.328 1.125 20 0 CDADMM CN(C[C@H]1CCCOC1)c1cccc(-c2nn[n-]n2)n1 ZINC000095294142 599433650 /nfs/dbraw/zinc/43/36/50/599433650.db2.gz LQFPQWMFINURRJ-SNVBAGLBSA-N -1 1 274.328 1.125 20 0 CDADMM c1ccc(CCCNc2nccnc2-c2nnn[n-]2)nc1 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Cc1ccc2nc(CNc3ccc(C(=O)[O-])nn3)[nH]c2c1 ZINC000832958819 600804743 /nfs/dbraw/zinc/80/47/43/600804743.db2.gz LAROJIDZWSAAEG-UHFFFAOYSA-N -1 1 283.291 1.972 20 0 CDADMM O=C([O-])c1ccc(OCCN2CCC[C@@H](O)C2)c(Cl)c1 ZINC000833321159 600816819 /nfs/dbraw/zinc/81/68/19/600816819.db2.gz KFFJZBMXXLVBDO-LLVKDONJSA-N -1 1 299.754 1.874 20 0 CDADMM CCC1(O)CCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000707445103 600837403 /nfs/dbraw/zinc/83/74/03/600837403.db2.gz OVGUBJDNUGNDRW-UHFFFAOYSA-N -1 1 253.298 1.715 20 0 CDADMM CC[C@@H](C)[C@@H](NC(=O)CN1CCC2(CCCC2)C1)C(=O)[O-] ZINC000828717323 600849277 /nfs/dbraw/zinc/84/92/77/600849277.db2.gz IZZSVQBRYVGTOE-TZMCWYRMSA-N -1 1 296.411 1.868 20 0 CDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000827374611 601104463 /nfs/dbraw/zinc/10/44/63/601104463.db2.gz JHWVEGRWBJRAQZ-SECBINFHSA-N -1 1 299.758 1.289 20 0 CDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000827355066 601186002 /nfs/dbraw/zinc/18/60/02/601186002.db2.gz 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ZINC000822201164 606534804 /nfs/dbraw/zinc/53/48/04/606534804.db2.gz TVPMULUNPKRLPR-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)no1 ZINC000822201164 606534806 /nfs/dbraw/zinc/53/48/06/606534806.db2.gz TVPMULUNPKRLPR-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM O=C(CCc1ccoc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822983101 606650452 /nfs/dbraw/zinc/65/04/52/606650452.db2.gz KGBWNSAARNUDKM-UHFFFAOYSA-N -1 1 299.290 1.531 20 0 CDADMM O=C(CCc1ccoc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822983101 606650453 /nfs/dbraw/zinc/65/04/53/606650453.db2.gz KGBWNSAARNUDKM-UHFFFAOYSA-N -1 1 299.290 1.531 20 0 CDADMM C[C@@H]1CC[C@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820683553 606878747 /nfs/dbraw/zinc/87/87/47/606878747.db2.gz DAJQSUNZJLQSCE-OCAPTIKFSA-N -1 1 277.353 1.941 20 0 CDADMM C[C@@H]1CC[C@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820683553 606878748 /nfs/dbraw/zinc/87/87/48/606878748.db2.gz DAJQSUNZJLQSCE-OCAPTIKFSA-N -1 1 277.353 1.941 20 0 CDADMM O=C(OC[C@H]1CCCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823396678 607081350 /nfs/dbraw/zinc/08/13/50/607081350.db2.gz MDNCZFQTZGHBOE-QMMMGPOBSA-N -1 1 294.336 1.512 20 0 CDADMM O=C(OC[C@H]1CCCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823396678 607081351 /nfs/dbraw/zinc/08/13/51/607081351.db2.gz MDNCZFQTZGHBOE-QMMMGPOBSA-N -1 1 294.336 1.512 20 0 CDADMM C[C@H]1COCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000825006625 607825612 /nfs/dbraw/zinc/82/56/12/607825612.db2.gz MOCKFKLQLAHKFZ-MRVPVSSYSA-N -1 1 293.352 1.037 20 0 CDADMM C[C@H]1COCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000825006625 607825613 /nfs/dbraw/zinc/82/56/13/607825613.db2.gz MOCKFKLQLAHKFZ-MRVPVSSYSA-N -1 1 293.352 1.037 20 0 CDADMM Fc1cccc(OCCn2cccn2)c1-c1nnn[n-]1 ZINC000826377931 607864722 /nfs/dbraw/zinc/86/47/22/607864722.db2.gz NDLUPUNIIJRYLB-UHFFFAOYSA-N -1 1 274.259 1.281 20 0 CDADMM Fc1cccc(OCCn2cccn2)c1-c1nn[n-]n1 ZINC000826377931 607864723 /nfs/dbraw/zinc/86/47/23/607864723.db2.gz NDLUPUNIIJRYLB-UHFFFAOYSA-N -1 1 274.259 1.281 20 0 CDADMM Cc1ccccc1NC(=O)CCn1ccnc1-c1nnn[n-]1 ZINC000826307489 607868760 /nfs/dbraw/zinc/86/87/60/607868760.db2.gz KKTHVEDPFKGMMO-UHFFFAOYSA-N -1 1 297.322 1.400 20 0 CDADMM Cc1ccccc1NC(=O)CCn1ccnc1-c1nn[n-]n1 ZINC000826307489 607868761 /nfs/dbraw/zinc/86/87/61/607868761.db2.gz KKTHVEDPFKGMMO-UHFFFAOYSA-N -1 1 297.322 1.400 20 0 CDADMM CCn1ccnc1Sc1cccc(-c2nnn[n-]2)n1 ZINC000825804503 607895570 /nfs/dbraw/zinc/89/55/70/607895570.db2.gz CARJNYGHPBTSHL-UHFFFAOYSA-N -1 1 273.325 1.629 20 0 CDADMM CCn1ccnc1Sc1cccc(-c2nn[n-]n2)n1 ZINC000825804503 607895571 /nfs/dbraw/zinc/89/55/71/607895571.db2.gz CARJNYGHPBTSHL-UHFFFAOYSA-N -1 1 273.325 1.629 20 0 CDADMM CN(Cc1ccccn1)c1cccc(-c2nnn[n-]2)n1 ZINC000095294799 607897111 /nfs/dbraw/zinc/89/71/11/607897111.db2.gz JJVILDIGDUJBKS-UHFFFAOYSA-N -1 1 267.296 1.293 20 0 CDADMM CN(Cc1ccccn1)c1cccc(-c2nn[n-]n2)n1 ZINC000095294799 607897112 /nfs/dbraw/zinc/89/71/12/607897112.db2.gz JJVILDIGDUJBKS-UHFFFAOYSA-N -1 1 267.296 1.293 20 0 CDADMM C[C@@H]1OCC[C@H]1Sc1cccc(-c2nnn[n-]2)n1 ZINC000825021457 607902883 /nfs/dbraw/zinc/90/28/83/607902883.db2.gz QTWGHWPNFIMAAL-IONNQARKSA-N -1 1 263.326 1.531 20 0 CDADMM C[C@@H]1OCC[C@H]1Sc1cccc(-c2nn[n-]n2)n1 ZINC000825021457 607902884 /nfs/dbraw/zinc/90/28/84/607902884.db2.gz QTWGHWPNFIMAAL-IONNQARKSA-N -1 1 263.326 1.531 20 0 CDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCc2ccccc21 ZINC000826004038 607988471 /nfs/dbraw/zinc/98/84/71/607988471.db2.gz FXFRMORGWXSPMM-ZDUSSCGKSA-N -1 1 293.334 1.780 20 0 CDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCc2ccccc21 ZINC000826004038 607988472 /nfs/dbraw/zinc/98/84/72/607988472.db2.gz FXFRMORGWXSPMM-ZDUSSCGKSA-N -1 1 293.334 1.780 20 0 CDADMM Clc1ccc(Cl)c(Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC000826352025 608144204 /nfs/dbraw/zinc/14/42/04/608144204.db2.gz KBZSGSQRUADLFL-UHFFFAOYSA-N -1 1 297.109 1.208 20 0 CDADMM Cc1ocnc1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000826343311 608192858 /nfs/dbraw/zinc/19/28/58/608192858.db2.gz VRAZWNBIHSAVGU-UHFFFAOYSA-N -1 1 297.731 1.885 20 0 CDADMM Cc1ocnc1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000826343311 608192859 /nfs/dbraw/zinc/19/28/59/608192859.db2.gz VRAZWNBIHSAVGU-UHFFFAOYSA-N -1 1 297.731 1.885 20 0 CDADMM C[C@H](c1ccccc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824769806 608391164 /nfs/dbraw/zinc/39/11/64/608391164.db2.gz BDAYCSONNSYTSG-SNVBAGLBSA-N -1 1 281.323 1.854 20 0 CDADMM C[C@H](c1ccccc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824769806 608391165 /nfs/dbraw/zinc/39/11/65/608391165.db2.gz BDAYCSONNSYTSG-SNVBAGLBSA-N -1 1 281.323 1.854 20 0 CDADMM Cc1cnc(CNc2ccc(-c3nnn[n-]3)nn2)s1 ZINC000826318806 608425324 /nfs/dbraw/zinc/42/53/24/608425324.db2.gz ZVWDVMSWXHZTIE-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM Cc1cnc(CNc2ccc(-c3nn[n-]n3)nn2)s1 ZINC000826318806 608425325 /nfs/dbraw/zinc/42/53/25/608425325.db2.gz ZVWDVMSWXHZTIE-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1N[C@H]1CCOC2(CCC2)C1 ZINC000826514531 608435199 /nfs/dbraw/zinc/43/51/99/608435199.db2.gz UWDOZIAMBHJGLG-VIFPVBQESA-N -1 1 287.327 1.170 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1N[C@H]1CCOC2(CCC2)C1 ZINC000826514531 608435200 /nfs/dbraw/zinc/43/52/00/608435200.db2.gz UWDOZIAMBHJGLG-VIFPVBQESA-N -1 1 287.327 1.170 20 0 CDADMM Cc1noc(C)c1CN(C)c1nc(-c2nn[n-]n2)ccc1C ZINC000826280018 608542062 /nfs/dbraw/zinc/54/20/62/608542062.db2.gz LCNQYTVXINCCLH-UHFFFAOYSA-N -1 1 299.338 1.811 20 0 CDADMM Cc1nc(Cn2ccnc2-c2nnn[n-]2)nc2ccccc12 ZINC000826326697 608890946 /nfs/dbraw/zinc/89/09/46/608890946.db2.gz ADOIXHCWQFQQFO-UHFFFAOYSA-N -1 1 292.306 1.363 20 0 CDADMM Cc1nc(Cn2ccnc2-c2nn[n-]n2)nc2ccccc12 ZINC000826326697 608890947 /nfs/dbraw/zinc/89/09/47/608890947.db2.gz ADOIXHCWQFQQFO-UHFFFAOYSA-N -1 1 292.306 1.363 20 0 CDADMM CC1(C)C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)O1 ZINC000824790955 609318695 /nfs/dbraw/zinc/31/86/95/609318695.db2.gz TZRJEWVBKTZPDW-SECBINFHSA-N -1 1 289.343 1.415 20 0 CDADMM CC1(C)C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)O1 ZINC000824790955 609318696 /nfs/dbraw/zinc/31/86/96/609318696.db2.gz TZRJEWVBKTZPDW-SECBINFHSA-N -1 1 289.343 1.415 20 0 CDADMM Cc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)o1 ZINC000804684279 617315140 /nfs/dbraw/zinc/31/51/40/617315140.db2.gz XMLFEHQXBHEPHP-UHFFFAOYSA-N -1 1 292.261 1.273 20 0 CDADMM N[C@@H](C(=O)[N-]OCC(F)(F)F)c1cccc(Cl)c1 ZINC000843449962 617332652 /nfs/dbraw/zinc/33/26/52/617332652.db2.gz BQLMBVNSHOVMSH-MRVPVSSYSA-N -1 1 282.649 1.950 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2ccc(F)c([C@@H](C)O)c2)c1[O-] ZINC000804797182 617333472 /nfs/dbraw/zinc/33/34/72/617333472.db2.gz LKJRNWWJIIYQGA-SSDOTTSWSA-N -1 1 279.271 1.868 20 0 CDADMM CCCONC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000844089224 617337916 /nfs/dbraw/zinc/33/79/16/617337916.db2.gz ZKXVWTMGBXBZQJ-UHFFFAOYSA-N -1 1 252.299 1.089 20 0 CDADMM O=C(CCCc1nn[n-]n1)N[C@@H](c1ccncc1)C1CC1 ZINC000890900947 617346749 /nfs/dbraw/zinc/34/67/49/617346749.db2.gz AYKHFAXPDXSZJZ-CQSZACIVSA-N -1 1 286.339 1.185 20 0 CDADMM CCc1cc(CN=c2nn[n-]n2Cc2ccccc2)n[nH]1 ZINC000892505120 617442782 /nfs/dbraw/zinc/44/27/82/617442782.db2.gz LRESYSFAZSSOOQ-UHFFFAOYSA-N -1 1 283.339 1.041 20 0 CDADMM CC(=O)N[C@H](C)[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000953595740 614103831 /nfs/dbraw/zinc/10/38/31/614103831.db2.gz QXNIZUDVVRIIFZ-PWSUYJOCSA-N -1 1 291.351 1.307 20 0 CDADMM COCc1nc(NCC2(CO)CCCC2)cc(=O)[n-]1 ZINC000893231957 617477006 /nfs/dbraw/zinc/47/70/06/617477006.db2.gz YNJUSPQWXGCUPG-UHFFFAOYSA-N -1 1 267.329 1.293 20 0 CDADMM CCC(=O)N1CCC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000983723559 614585059 /nfs/dbraw/zinc/58/50/59/614585059.db2.gz YWLJEYGRMZIUIC-NSHDSACASA-N -1 1 291.351 1.260 20 0 CDADMM Cc1ccncc1CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891615011 617503034 /nfs/dbraw/zinc/50/30/34/617503034.db2.gz ONSLHRYPQHACDL-UHFFFAOYSA-N -1 1 298.346 1.946 20 0 CDADMM CCCC(=O)N1C[C@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000966089953 614870856 /nfs/dbraw/zinc/87/08/56/614870856.db2.gz UIWJOWZIGRUFMR-WDEREUQCSA-N -1 1 291.351 1.164 20 0 CDADMM CC[C@H](F)CN1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000981026645 615782638 /nfs/dbraw/zinc/78/26/38/615782638.db2.gz HPJSLGVTNWIAIV-LBPRGKRZSA-N -1 1 295.358 1.683 20 0 CDADMM C[N@@H+](Cc1ncc(Br)cc1O)[C@H]1CCOC1 ZINC000891934300 617796000 /nfs/dbraw/zinc/79/60/00/617796000.db2.gz FORUWELDTYIHSL-VIFPVBQESA-N -1 1 287.157 1.770 20 0 CDADMM Cc1ccc(CC(=O)OCc2nc(=O)n(C)[n-]2)cc1Cl ZINC000924272841 617987366 /nfs/dbraw/zinc/98/73/66/617987366.db2.gz PIIRUMLFVPMVED-UHFFFAOYSA-N -1 1 295.726 1.356 20 0 CDADMM CCC(CC)(CC(=O)[O-])NC(=O)CCc1cnc[nH]1 ZINC000909375148 618006419 /nfs/dbraw/zinc/00/64/19/618006419.db2.gz JSMVHEHPYMCQEX-UHFFFAOYSA-N -1 1 267.329 1.492 20 0 CDADMM CCOc1cc(C(=O)[N-]c2cc(SC)ncn2)on1 ZINC000892990131 618027620 /nfs/dbraw/zinc/02/76/20/618027620.db2.gz OAYNIGVJBHYZAN-UHFFFAOYSA-N -1 1 280.309 1.838 20 0 CDADMM C[C@@H]1CN(Cc2ccc3cnccc3c2)C[C@H](C(=O)[O-])O1 ZINC000901909691 618362646 /nfs/dbraw/zinc/36/26/46/618362646.db2.gz JOIZKKQFFJDCLD-IAQYHMDHSA-N -1 1 286.331 1.909 20 0 CDADMM O=C([O-])CCN(Cc1cnnn1-c1ccccc1)C1CC1 ZINC000901970000 618411051 /nfs/dbraw/zinc/41/10/51/618411051.db2.gz CDDZYSRFHWRELM-UHFFFAOYSA-N -1 1 286.335 1.706 20 0 CDADMM CC(C)[C@@H](CNC(=O)c1cccc2nc[nH]c21)C(=O)[O-] ZINC000902027058 618469770 /nfs/dbraw/zinc/46/97/70/618469770.db2.gz PZDRWZHFMBSDAY-SNVBAGLBSA-N -1 1 275.308 1.650 20 0 CDADMM CC[C@@H](C)C[C@H](NC(=O)C1(N(C)C)CC1)C(=O)[O-] ZINC000910913222 618591148 /nfs/dbraw/zinc/59/11/48/618591148.db2.gz XHWOCPXACKMGGB-ZJUUUORDSA-N -1 1 256.346 1.086 20 0 CDADMM CCO[C@@H]1CCC[C@H]1Nc1cc(=O)[n-]c(COC)n1 ZINC000894124515 618605072 /nfs/dbraw/zinc/60/50/72/618605072.db2.gz LUBXUVIZKNXCLZ-NXEZZACHSA-N -1 1 267.329 1.698 20 0 CDADMM COCc1nc(N2CCC[C@@](C)(C(=O)OC)C2)cc(=O)[n-]1 ZINC000894221276 618732742 /nfs/dbraw/zinc/73/27/42/618732742.db2.gz PYXIHGSSTGKWKT-CQSZACIVSA-N -1 1 295.339 1.108 20 0 CDADMM COCc1nc(N2CCC[C@H]2[C@H]2CCCOC2)cc(=O)[n-]1 ZINC000894342233 618799733 /nfs/dbraw/zinc/79/97/33/618799733.db2.gz PAEJZYYYSWTCAK-RYUDHWBXSA-N -1 1 293.367 1.724 20 0 CDADMM COC[C@H]1CCCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000909405727 618827061 /nfs/dbraw/zinc/82/70/61/618827061.db2.gz HWFDUYBQODMQTO-LLVKDONJSA-N -1 1 291.351 1.701 20 0 CDADMM CCC1(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2)CCCC1 ZINC000909413699 619104936 /nfs/dbraw/zinc/10/49/36/619104936.db2.gz SXTUZGOXNRXWIC-CYBMUJFWSA-N -1 1 296.411 1.870 20 0 CDADMM CC1CCN(CC(=O)N[C@@H](CC2CC2)C(=O)[O-])CC1 ZINC000909467474 619344989 /nfs/dbraw/zinc/34/49/89/619344989.db2.gz JHUXTSVWZBAEEM-LBPRGKRZSA-N -1 1 268.357 1.088 20 0 CDADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)C1(C2CC2)CC1 ZINC000895614486 619758412 /nfs/dbraw/zinc/75/84/12/619758412.db2.gz OKVQJDFHZJQSFK-UHFFFAOYSA-N -1 1 260.219 1.952 20 0 CDADMM CN(C)[C@H](C(=O)[N-]OCc1ccccn1)c1ccccc1 ZINC000909532357 620005558 /nfs/dbraw/zinc/00/55/58/620005558.db2.gz XPEUOVPBPUUAHO-HNNXBMFYSA-N -1 1 285.347 1.932 20 0 CDADMM O=c1nc(NC[C@H]2CCCC3(CCC3)O2)nc2[nH][n-]cc1-2 ZINC000896170034 620014738 /nfs/dbraw/zinc/01/47/38/620014738.db2.gz JOGDRFAJSKWRIQ-SECBINFHSA-N -1 1 289.339 1.336 20 0 CDADMM CCCC[C@@H](OC(=O)c1ccc(C(=O)OC)[n-]1)C(=O)OC ZINC000796369456 620297927 /nfs/dbraw/zinc/29/79/27/620297927.db2.gz NZBVSXLHJPHTAF-LLVKDONJSA-N -1 1 297.307 1.690 20 0 CDADMM CC1(C)C[C@H](NC(=O)Cc2ccc([O-])c(Cl)c2)C(=O)O1 ZINC000866926470 620486342 /nfs/dbraw/zinc/48/63/42/620486342.db2.gz BDPFNWLHEBCQOP-JTQLQIEISA-N -1 1 297.738 1.798 20 0 CDADMM O=c1nc(N[C@H]2CCOC23CCOCC3)cc(Cl)[n-]1 ZINC000897329059 620505049 /nfs/dbraw/zinc/50/50/49/620505049.db2.gz WMAGSMUQUQJVOR-QMMMGPOBSA-N -1 1 285.731 1.586 20 0 CDADMM COCc1cc(NC(=O)CN2CCCC2)cc(C(=O)[O-])c1 ZINC000909626823 620519970 /nfs/dbraw/zinc/51/99/70/620519970.db2.gz LRAYNOYDYLSXJK-UHFFFAOYSA-N -1 1 292.335 1.566 20 0 CDADMM CC[S@](=O)CCNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000865676578 621018710 /nfs/dbraw/zinc/01/87/10/621018710.db2.gz OHVJPZZFDJZBLT-SFHVURJKSA-N -1 1 289.784 1.473 20 0 CDADMM O=C(NCCCc1c[nH][nH]c1=O)c1cc(Cl)ccc1[O-] ZINC000898727724 621851116 /nfs/dbraw/zinc/85/11/16/621851116.db2.gz AVHWBSLUAIHQBS-MRVPVSSYSA-N -1 1 295.726 1.287 20 0 CDADMM 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C[C@@H]1COCCCN1C(=O)c1ccc([O-])cc1F ZINC000398883877 1158545484 /nfs/dbraw/zinc/54/54/84/1158545484.db2.gz JJUVIEJOJMILOG-SECBINFHSA-N -1 1 253.273 1.782 20 0 CDADMM C[C@]1(C(=O)Nc2c[n-][nH]c2=O)CCc2ccccc21 ZINC001648815836 1158575155 /nfs/dbraw/zinc/57/51/55/1158575155.db2.gz FAHYTPAFHHAIGZ-AWEZNQCLSA-N -1 1 257.293 1.958 20 0 CDADMM CCOC(=O)c1nc2cc(S(C)(=O)=O)ccc2[n-]1 ZINC000109529533 1158743527 /nfs/dbraw/zinc/74/35/27/1158743527.db2.gz DNKUHCLEOLXDKM-UHFFFAOYSA-N -1 1 268.294 1.143 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2c(Cl)cnnc2Cl)[n-]1 ZINC001170222866 1162313754 /nfs/dbraw/zinc/31/37/54/1162313754.db2.gz GYLMPWLDFSBSLZ-UHFFFAOYSA-N -1 1 298.093 1.899 20 0 CDADMM C[C@H](OC(=O)c1cn[n-]n1)C(=O)Nc1ccc(F)cc1F ZINC000805604467 1162584385 /nfs/dbraw/zinc/58/43/85/1162584385.db2.gz KGWLNHDNXRZMNZ-LURJTMIESA-N -1 1 296.233 1.267 20 0 CDADMM Nc1ccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)cc1 ZINC000040315388 1158506504 /nfs/dbraw/zinc/50/65/04/1158506504.db2.gz YMUPLAAQTHECGI-UHFFFAOYSA-N -1 1 288.332 1.946 20 0 CDADMM Cc1nocc1CNC(=O)c1ccc([O-])cc1F ZINC000398140687 1158708643 /nfs/dbraw/zinc/70/86/43/1158708643.db2.gz OEQSGWRKDXOMQP-UHFFFAOYSA-N -1 1 250.229 1.758 20 0 CDADMM Cc1nocc1C[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000398080529 1160093424 /nfs/dbraw/zinc/09/34/24/1160093424.db2.gz NKASYBZYVLXPJA-UHFFFAOYSA-N -1 1 295.295 1.472 20 0 CDADMM C[C@]1(C(=O)OCC(=O)c2ccc([O-])cc2O)CCCOC1 ZINC001649746081 1160260231 /nfs/dbraw/zinc/26/02/31/1160260231.db2.gz QKZQHGVZZGTFHQ-HNNXBMFYSA-N -1 1 294.303 1.640 20 0 CDADMM C[C@H](NCc1nncs1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001604349905 1163161514 /nfs/dbraw/zinc/16/15/14/1163161514.db2.gz REZYCUSVBJVSMU-CMPLNLGQSA-N -1 1 291.376 1.960 20 0 CDADMM C[C@]1(C(=O)[O-])CCN(C(=O)c2coc([C@@H]3CCCN3)n2)C1 ZINC001604500331 1163210586 /nfs/dbraw/zinc/21/05/86/1163210586.db2.gz YTABIISKXFMMNP-XPTSAGLGSA-N -1 1 293.323 1.036 20 0 CDADMM CC1(C)CN(C(=O)NCc2ccc(C(=O)[O-])s2)CCN1 ZINC001604539809 1163225352 /nfs/dbraw/zinc/22/53/52/1163225352.db2.gz FEZRQAWAEAIRAC-UHFFFAOYSA-N -1 1 297.380 1.340 20 0 CDADMM CCc1nc(NCCCc2ccco2)cc(-c2nnn[n-]2)n1 ZINC001604566395 1163232158 /nfs/dbraw/zinc/23/21/58/1163232158.db2.gz UYTSDQQQXOUBEA-UHFFFAOYSA-N -1 1 299.338 1.857 20 0 CDADMM CCc1nc(NCCCc2ccco2)cc(-c2nn[n-]n2)n1 ZINC001604566395 1163232165 /nfs/dbraw/zinc/23/21/65/1163232165.db2.gz UYTSDQQQXOUBEA-UHFFFAOYSA-N -1 1 299.338 1.857 20 0 CDADMM CCc1nnc(Sc2ccc(-c3nnn[n-]3)nn2)s1 ZINC001604583909 1163237840 /nfs/dbraw/zinc/23/78/40/1163237840.db2.gz OWMCZFHEWLSUPK-UHFFFAOYSA-N -1 1 292.353 1.222 20 0 CDADMM CCc1nnc(Sc2ccc(-c3nn[n-]n3)nn2)s1 ZINC001604583909 1163237848 /nfs/dbraw/zinc/23/78/48/1163237848.db2.gz OWMCZFHEWLSUPK-UHFFFAOYSA-N -1 1 292.353 1.222 20 0 CDADMM C[C@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC001604727881 1163298960 /nfs/dbraw/zinc/29/89/60/1163298960.db2.gz ZRYKPXAXHAQYBI-ZWUHOBOKSA-N -1 1 294.395 1.620 20 0 CDADMM CN(Cc1ccoc1)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001604821638 1163341395 /nfs/dbraw/zinc/34/13/95/1163341395.db2.gz LSVRYTHNUZYCHM-UHFFFAOYSA-N -1 1 299.294 1.519 20 0 CDADMM CN(Cc1ccoc1)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001604821638 1163341398 /nfs/dbraw/zinc/34/13/98/1163341398.db2.gz LSVRYTHNUZYCHM-UHFFFAOYSA-N -1 1 299.294 1.519 20 0 CDADMM COCCCN(C)c1ccc(C)nc1-c1nnn[n-]1 ZINC001605086505 1163446369 /nfs/dbraw/zinc/44/63/69/1163446369.db2.gz ANNNOVQAIISZHM-UHFFFAOYSA-N -1 1 262.317 1.043 20 0 CDADMM COCCCN(C)c1ccc(C)nc1-c1nn[n-]n1 ZINC001605086505 1163446371 /nfs/dbraw/zinc/44/63/71/1163446371.db2.gz ANNNOVQAIISZHM-UHFFFAOYSA-N -1 1 262.317 1.043 20 0 CDADMM CCCN1CCC[C@H]1C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001605324297 1163523849 /nfs/dbraw/zinc/52/38/49/1163523849.db2.gz CRPLVXIMPPQCFP-LBPRGKRZSA-N -1 1 292.335 1.903 20 0 CDADMM CCOC[C@@H](C(=O)[O-])N(C)C[C@H](O)c1ccccc1 ZINC001605625628 1163627837 /nfs/dbraw/zinc/62/78/37/1163627837.db2.gz UQQKRRHQCQIOAQ-STQMWFEESA-N -1 1 267.325 1.142 20 0 CDADMM Cc1cc(CNc2n[nH]c(C)c2-c2nnn[n-]2)sn1 ZINC001605661441 1163636176 /nfs/dbraw/zinc/63/61/76/1163636176.db2.gz ZJUSUGMFHZZJBE-UHFFFAOYSA-N -1 1 276.329 1.275 20 0 CDADMM Cc1cc(CNc2n[nH]c(C)c2-c2nn[n-]n2)sn1 ZINC001605661441 1163636179 /nfs/dbraw/zinc/63/61/79/1163636179.db2.gz ZJUSUGMFHZZJBE-UHFFFAOYSA-N -1 1 276.329 1.275 20 0 CDADMM Cc1cc(N(C)C)ccc1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001605687582 1163642808 /nfs/dbraw/zinc/64/28/08/1163642808.db2.gz QTEWKWYNFFEHNO-UHFFFAOYSA-N -1 1 296.338 1.775 20 0 CDADMM Cc1cc(N(C)C)ccc1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001605687582 1163642810 /nfs/dbraw/zinc/64/28/10/1163642810.db2.gz QTEWKWYNFFEHNO-UHFFFAOYSA-N -1 1 296.338 1.775 20 0 CDADMM Cc1cc(N[C@H](CO)CCC(C)C)nc(-c2nnn[n-]2)c1 ZINC001605721513 1163650490 /nfs/dbraw/zinc/65/04/90/1163650490.db2.gz YEMADMKLBDCEAW-NSHDSACASA-N -1 1 290.371 1.779 20 0 CDADMM Cc1cc(N[C@H](CO)CCC(C)C)nc(-c2nn[n-]n2)c1 ZINC001605721513 1163650491 /nfs/dbraw/zinc/65/04/91/1163650491.db2.gz YEMADMKLBDCEAW-NSHDSACASA-N -1 1 290.371 1.779 20 0 CDADMM Cc1nn(C)c(C)c1CNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001605738370 1163655167 /nfs/dbraw/zinc/65/51/67/1163655167.db2.gz PGKGSDQCVMFJKC-UHFFFAOYSA-N -1 1 298.354 1.533 20 0 CDADMM Cc1nn(C)c(C)c1CNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001605738370 1163655172 /nfs/dbraw/zinc/65/51/72/1163655172.db2.gz PGKGSDQCVMFJKC-UHFFFAOYSA-N -1 1 298.354 1.533 20 0 CDADMM CCc1[nH]c(CN[C@@H](C)c2cnn(C)c2)cc1C(=O)[O-] ZINC001605775098 1163667088 /nfs/dbraw/zinc/66/70/88/1163667088.db2.gz RZNGMCWEKMOSTR-VIFPVBQESA-N -1 1 276.340 1.860 20 0 CDADMM Cc1ccc(C(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)o1 ZINC001605823565 1163680352 /nfs/dbraw/zinc/68/03/52/1163680352.db2.gz MUZGZEBMOZSGCV-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM Cc1ccc(C(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)o1 ZINC001605823565 1163680356 /nfs/dbraw/zinc/68/03/56/1163680356.db2.gz MUZGZEBMOZSGCV-UHFFFAOYSA-N -1 1 287.283 1.062 20 0 CDADMM CCc1oc(CNC2([C@@H](C)O)CC2)cc1C(=O)[O-] ZINC001605892009 1163710832 /nfs/dbraw/zinc/71/08/32/1163710832.db2.gz LFCUKVDMXCEULR-MRVPVSSYSA-N -1 1 253.298 1.543 20 0 CDADMM Cc1ccnc(CNc2ccc(C)c(-c3nnn[n-]3)n2)c1 ZINC001605955477 1163725002 /nfs/dbraw/zinc/72/50/02/1163725002.db2.gz XIBYXSNMZOWWSX-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1ccnc(CNc2ccc(C)c(-c3nn[n-]n3)n2)c1 ZINC001605955477 1163725007 /nfs/dbraw/zinc/72/50/07/1163725007.db2.gz XIBYXSNMZOWWSX-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1cnc(NC(=O)c2ccsc2-c2nnn[n-]2)s1 ZINC001605980825 1163734658 /nfs/dbraw/zinc/73/46/58/1163734658.db2.gz XXAYTJQECCCZCG-UHFFFAOYSA-N -1 1 292.349 1.945 20 0 CDADMM Cc1cnc(NC(=O)c2ccsc2-c2nn[n-]n2)s1 ZINC001605980825 1163734663 /nfs/dbraw/zinc/73/46/63/1163734663.db2.gz XXAYTJQECCCZCG-UHFFFAOYSA-N -1 1 292.349 1.945 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@@H]2CC23CCCC3)c1-c1nn[n-]n1 ZINC001606012935 1163744053 /nfs/dbraw/zinc/74/40/53/1163744053.db2.gz BKFLBONXQBCCCQ-QMMMGPOBSA-N -1 1 287.327 1.417 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@H]2C[C@@]23CCOC3)c1C ZINC001606021030 1163747968 /nfs/dbraw/zinc/74/79/68/1163747968.db2.gz HGIOXVCSQAAYCA-ZWNOBZJWSA-N -1 1 274.328 1.107 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@H]2C[C@@]23CCOC3)c1C ZINC001606021030 1163747973 /nfs/dbraw/zinc/74/79/73/1163747973.db2.gz HGIOXVCSQAAYCA-ZWNOBZJWSA-N -1 1 274.328 1.107 20 0 CDADMM CN(C)Cc1cc(CNC(=O)CCCC(=O)[O-])ccc1F ZINC001606033617 1163752343 /nfs/dbraw/zinc/75/23/43/1163752343.db2.gz VJTUONQOTNOPQI-UHFFFAOYSA-N -1 1 296.342 1.758 20 0 CDADMM Cc1nn(C)c(NC(=O)CCC2CC2)c1-c1nnn[n-]1 ZINC001606112641 1163776479 /nfs/dbraw/zinc/77/64/79/1163776479.db2.gz MCNUTRWFVBVVHI-UHFFFAOYSA-N -1 1 275.316 1.037 20 0 CDADMM Cc1nn(C)c(NC(=O)CCC2CC2)c1-c1nn[n-]n1 ZINC001606112641 1163776484 /nfs/dbraw/zinc/77/64/84/1163776484.db2.gz MCNUTRWFVBVVHI-UHFFFAOYSA-N -1 1 275.316 1.037 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@H](C)[C@H](C)[C@@H]1C ZINC001606166066 1163793702 /nfs/dbraw/zinc/79/37/02/1163793702.db2.gz NEZLQBZVFKXDJA-CIUDSAMLSA-N -1 1 289.339 1.885 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@H](C)[C@H](C)[C@@H]1C ZINC001606166066 1163793704 /nfs/dbraw/zinc/79/37/04/1163793704.db2.gz NEZLQBZVFKXDJA-CIUDSAMLSA-N -1 1 289.339 1.885 20 0 CDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)C#N ZINC001606170572 1163796869 /nfs/dbraw/zinc/79/68/69/1163796869.db2.gz ICRVOLDIHQVCIH-UHFFFAOYSA-N -1 1 297.278 1.112 20 0 CDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)C#N ZINC001606170572 1163796872 /nfs/dbraw/zinc/79/68/72/1163796872.db2.gz ICRVOLDIHQVCIH-UHFFFAOYSA-N -1 1 297.278 1.112 20 0 CDADMM Fc1cccc2c1CCN2c1cc(-c2nnn[n-]2)ncn1 ZINC001606331702 1163864731 /nfs/dbraw/zinc/86/47/31/1163864731.db2.gz FKOHWWLMJMSTME-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM Fc1cccc2c1CCN2c1cc(-c2nn[n-]n2)ncn1 ZINC001606331702 1163864736 /nfs/dbraw/zinc/86/47/36/1163864736.db2.gz FKOHWWLMJMSTME-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1CCC=C(C)C ZINC001606370896 1163881109 /nfs/dbraw/zinc/88/11/09/1163881109.db2.gz AXMTUPAIZCQGRD-RYUDHWBXSA-N -1 1 269.341 1.681 20 0 CDADMM COC(=O)c1cc(C(=O)[O-])n(CN2C[C@H](C)[C@@H](C)[C@H]2C)n1 ZINC001606536383 1163926042 /nfs/dbraw/zinc/92/60/42/1163926042.db2.gz BRGSVEAZYJAHPK-IVZWLZJFSA-N -1 1 295.339 1.302 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccnc(C2CC2)c1 ZINC001606893188 1164024419 /nfs/dbraw/zinc/02/44/19/1164024419.db2.gz JKIYKPCIFUNMEK-UHFFFAOYSA-N -1 1 296.294 1.115 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccnc(C2CC2)c1 ZINC001606893188 1164024424 /nfs/dbraw/zinc/02/44/24/1164024424.db2.gz JKIYKPCIFUNMEK-UHFFFAOYSA-N -1 1 296.294 1.115 20 0 CDADMM COC[C@H](N)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001606937734 1164035147 /nfs/dbraw/zinc/03/51/47/1164035147.db2.gz JKKRMWMUZJTSEE-JTQLQIEISA-N -1 1 296.323 1.084 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1=CCCCC1 ZINC001606982334 1164048792 /nfs/dbraw/zinc/04/87/92/1164048792.db2.gz MSGYGERTDHYRSI-UHFFFAOYSA-N -1 1 285.307 1.805 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1=CCCCC1 ZINC001606982334 1164048801 /nfs/dbraw/zinc/04/88/01/1164048801.db2.gz MSGYGERTDHYRSI-UHFFFAOYSA-N -1 1 285.307 1.805 20 0 CDADMM c1cc([C@H]2CCN(c3ncncc3-c3nn[n-]n3)C2)ccn1 ZINC001607118172 1164097897 /nfs/dbraw/zinc/09/78/97/1164097897.db2.gz SXWAJLZPSWTUCK-NSHDSACASA-N -1 1 294.322 1.046 20 0 CDADMM c1cc2c(c(NCc3cccc(-c4nnn[n-]4)n3)c1)OCO2 ZINC001607118843 1164102325 /nfs/dbraw/zinc/10/23/25/1164102325.db2.gz AHQBKVCCQYDNEQ-UHFFFAOYSA-N -1 1 296.290 1.603 20 0 CDADMM c1cc2c(c(NCc3cccc(-c4nn[n-]n4)n3)c1)OCO2 ZINC001607118843 1164102328 /nfs/dbraw/zinc/10/23/28/1164102328.db2.gz AHQBKVCCQYDNEQ-UHFFFAOYSA-N -1 1 296.290 1.603 20 0 CDADMM c1cc2c(s1)CN(c1cccnc1-c1nnn[n-]1)CC2 ZINC001607133787 1164111968 /nfs/dbraw/zinc/11/19/68/1164111968.db2.gz QHRDAKRKKYSHIT-UHFFFAOYSA-N -1 1 284.348 1.886 20 0 CDADMM c1cc2c(s1)CN(c1cccnc1-c1nn[n-]n1)CC2 ZINC001607133787 1164111972 /nfs/dbraw/zinc/11/19/72/1164111972.db2.gz QHRDAKRKKYSHIT-UHFFFAOYSA-N -1 1 284.348 1.886 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1N[C@@H]1CCCC2(CC2)C1 ZINC001607137054 1164116491 /nfs/dbraw/zinc/11/64/91/1164116491.db2.gz ZSJPLPLCKPNBMJ-SECBINFHSA-N -1 1 271.328 1.791 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1N[C@@H]1CCCC2(CC2)C1 ZINC001607137054 1164116493 /nfs/dbraw/zinc/11/64/93/1164116493.db2.gz ZSJPLPLCKPNBMJ-SECBINFHSA-N -1 1 271.328 1.791 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(N2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC001607138801 1164120365 /nfs/dbraw/zinc/12/03/65/1164120365.db2.gz KTTTZRYAOAQHAZ-WDEREUQCSA-N -1 1 285.355 1.673 20 0 CDADMM COc1ccc([C@H]2NC(=S)N=C(C)C2C(=O)[O-])c(C)c1 ZINC001607238012 1164135659 /nfs/dbraw/zinc/13/56/59/1164135659.db2.gz OGVCJKYEONYQQS-GFCCVEGCSA-N -1 1 292.360 1.881 20 0 CDADMM Cc1n[nH]c(C(=O)N[C@@H](C(=O)[O-])c2ccsc2)c1C ZINC001607500741 1164210388 /nfs/dbraw/zinc/21/03/88/1164210388.db2.gz WWKNZZZSTIYDHT-SNVBAGLBSA-N -1 1 279.321 1.644 20 0 CDADMM Cc1c[nH]nc1C[N@@H+]1[C@@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001607556744 1164224366 /nfs/dbraw/zinc/22/43/66/1164224366.db2.gz YGMGDPKKRJKSBC-XEZLXBQYSA-N -1 1 279.340 1.313 20 0 CDADMM Cc1c[nH]nc1CN1[C@@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001607556744 1164224371 /nfs/dbraw/zinc/22/43/71/1164224371.db2.gz YGMGDPKKRJKSBC-XEZLXBQYSA-N -1 1 279.340 1.313 20 0 CDADMM Cc1ccc(-c2cc(C(=O)O[C@@H](C)CC(=O)[O-])[nH]n2)o1 ZINC001607715644 1164278323 /nfs/dbraw/zinc/27/83/23/1164278323.db2.gz SJBBMHDGCQKEBH-QMMMGPOBSA-N -1 1 278.264 1.998 20 0 CDADMM Cn1nc(C2CC2)nc1CN1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001608147352 1164424953 /nfs/dbraw/zinc/42/49/53/1164424953.db2.gz OGJORDIQUCPJQC-NHYWBVRUSA-N -1 1 290.367 1.379 20 0 CDADMM O=C([O-])[C@@H](NCC(=O)NCC1CCCCC1)C1CC1 ZINC001608340026 1164492804 /nfs/dbraw/zinc/49/28/04/1164492804.db2.gz GZSIUHWYEAUVTM-ZDUSSCGKSA-N -1 1 268.357 1.136 20 0 CDADMM O=C([O-])c1ccccc1CC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC001608366174 1164498077 /nfs/dbraw/zinc/49/80/77/1164498077.db2.gz BKXPYQOBWQQBMW-LLVKDONJSA-N -1 1 299.330 1.324 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC001608519017 1164530162 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C[C@@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001609161959 1164807993 /nfs/dbraw/zinc/80/79/93/1164807993.db2.gz YKZQRUZAMKJHBU-BBBLOLIVSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@H]1CN(c2ncncc2-c2nn[n-]n2)CC[C@@H]1C ZINC001609169442 1164814714 /nfs/dbraw/zinc/81/47/14/1164814714.db2.gz ZARDIOKYSRAMSV-IUCAKERBSA-N -1 1 259.317 1.139 20 0 CDADMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)ncn2)[C@H]2CCCC[C@@H]12 ZINC001609175576 1164817888 /nfs/dbraw/zinc/81/78/88/1164817888.db2.gz UHXUUSDXGNNBTO-SCVCMEIPSA-N -1 1 285.355 1.672 20 0 CDADMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)ncn2)[C@H]2CCCC[C@@H]12 ZINC001609175576 1164817891 /nfs/dbraw/zinc/81/78/91/1164817891.db2.gz UHXUUSDXGNNBTO-SCVCMEIPSA-N -1 1 285.355 1.672 20 0 CDADMM CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609199868 1164838786 /nfs/dbraw/zinc/83/87/86/1164838786.db2.gz HPTAUVFQFOHZGD-BDAKNGLRSA-N -1 1 275.312 1.863 20 0 CDADMM CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609199868 1164838795 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Cc1ccc(Cn2ccnc2-c2nn[n-]n2)c(C)n1 ZINC001609424003 1164941185 /nfs/dbraw/zinc/94/11/85/1164941185.db2.gz GYJIQKRPYYRXBK-UHFFFAOYSA-N -1 1 255.285 1.123 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1nccs1 ZINC001609467705 1164965444 /nfs/dbraw/zinc/96/54/44/1164965444.db2.gz QSVBDSMYJARNNR-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1nccs1 ZINC001609467705 1164965448 /nfs/dbraw/zinc/96/54/48/1164965448.db2.gz QSVBDSMYJARNNR-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1CCCc1ccccc1 ZINC001609605157 1165000618 /nfs/dbraw/zinc/00/06/18/1165000618.db2.gz LLJLTASHWCYRJA-UHFFFAOYSA-N -1 1 281.319 1.661 20 0 CDADMM C[C@@H]1OCC[C@H]1N(CCO)Cc1cc(C(=O)[O-])ccc1F ZINC001609879652 1165127302 /nfs/dbraw/zinc/12/73/02/1165127302.db2.gz FOMWNZRHSQSFJM-IINYFYTJSA-N -1 1 297.326 1.496 20 0 CDADMM C[S@@](=O)c1ccc(CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1 ZINC001610379290 1165298982 /nfs/dbraw/zinc/29/89/82/1165298982.db2.gz IMHLVHCWBNOBAR-OYHXCVFBSA-N -1 1 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1168205305 /nfs/dbraw/zinc/20/53/05/1168205305.db2.gz RRIKSIPVJCTGOJ-UHFFFAOYSA-N -1 1 296.290 1.948 20 0 CDADMM O=C(Nc1nnn[n-]1)c1c(F)ccc2ccncc21 ZINC001565958312 1168205808 /nfs/dbraw/zinc/20/58/08/1168205808.db2.gz OLBOCAUENHRWLN-UHFFFAOYSA-N -1 1 258.216 1.139 20 0 CDADMM O=C(Nc1nn[n-]n1)c1c(F)ccc2ccncc21 ZINC001565958312 1168205813 /nfs/dbraw/zinc/20/58/13/1168205813.db2.gz OLBOCAUENHRWLN-UHFFFAOYSA-N -1 1 258.216 1.139 20 0 CDADMM O=C(NCc1ccc(F)cn1)c1ccc([O-])cc1F ZINC001566278179 1168256876 /nfs/dbraw/zinc/25/68/76/1168256876.db2.gz UNTHAWUUCMBVKT-UHFFFAOYSA-N -1 1 264.231 1.995 20 0 CDADMM CCCN1CCCC[C@H]1C(=O)[N-]S(=O)(=O)C1(C)CC1 ZINC001647186700 1168433290 /nfs/dbraw/zinc/43/32/90/1168433290.db2.gz AJHORSABRLEIRQ-NSHDSACASA-N -1 1 288.413 1.249 20 0 CDADMM O=C([O-])[C@@H](F)CNCc1cnn(Cc2ccccc2)c1 ZINC001647412689 1168662011 /nfs/dbraw/zinc/66/20/11/1168662011.db2.gz FLZALECAWUYWEX-ZDUSSCGKSA-N -1 1 277.299 1.444 20 0 CDADMM CC1(C)CN(CC(F)(F)F)CCN1C[C@@H]1C[C@H]1C(=O)[O-] ZINC001573612915 1170707637 /nfs/dbraw/zinc/70/76/37/1170707637.db2.gz KIBJZQVMZDBQOL-VHSXEESVSA-N -1 1 294.317 1.666 20 0 CDADMM CC(C)C[C@@H](CNCc1ccn(C)n1)NC(=O)[O-] ZINC001573503338 1170675988 /nfs/dbraw/zinc/67/59/88/1170675988.db2.gz ZMIANQWZHIKUTL-NSHDSACASA-N -1 1 254.334 1.192 20 0 CDADMM C[C@H](N[C@@H]1CCC12CCCC2)c1nc(C(=O)[O-])n[nH]1 ZINC001573570686 1170694832 /nfs/dbraw/zinc/69/48/32/1170694832.db2.gz DDXGHCSJOLKHTL-DTWKUNHWSA-N -1 1 264.329 1.876 20 0 CDADMM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc3cncn3c2)C1 ZINC001574341623 1170952493 /nfs/dbraw/zinc/95/24/93/1170952493.db2.gz CNNZWIXZBIMVSO-VHSXEESVSA-N -1 1 273.292 1.774 20 0 CDADMM CC(=O)c1ccc([O-])c(NC(=O)[C@H](N)Cc2ccccn2)c1 ZINC001575039359 1171092537 /nfs/dbraw/zinc/09/25/37/1171092537.db2.gz CBDFUFDKNGWEAA-CYBMUJFWSA-N -1 1 299.330 1.498 20 0 CDADMM O=C(Nc1nc(Cl)ccc1[O-])[C@H]1NCCc2occc21 ZINC001580793566 1172542324 /nfs/dbraw/zinc/54/23/24/1172542324.db2.gz NIFQMZYYHMPBJF-NSHDSACASA-N -1 1 293.710 1.859 20 0 CDADMM Cc1[nH]nc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1Cl ZINC001581402708 1172608901 /nfs/dbraw/zinc/60/89/01/1172608901.db2.gz GMHXBDGUPVANJU-UHFFFAOYSA-N -1 1 293.674 1.397 20 0 CDADMM Cc1nocc1NCc1nc(-c2nnn[n-]2)cs1 ZINC001581644204 1172616991 /nfs/dbraw/zinc/61/69/91/1172616991.db2.gz ZCAZTQIMMQCULK-UHFFFAOYSA-N -1 1 263.286 1.232 20 0 CDADMM Clc1ccnc(Cn2ccnc2-c2nnn[n-]2)c1Cl ZINC001581745534 1172619469 /nfs/dbraw/zinc/61/94/69/1172619469.db2.gz IKHABBOHBQGLTH-UHFFFAOYSA-N -1 1 296.121 1.813 20 0 CDADMM Clc1ccnc(Cn2ccnc2-c2nn[n-]n2)c1Cl ZINC001581745534 1172619472 /nfs/dbraw/zinc/61/94/72/1172619472.db2.gz IKHABBOHBQGLTH-UHFFFAOYSA-N -1 1 296.121 1.813 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCC=CO1 ZINC001582633647 1172685187 /nfs/dbraw/zinc/68/51/87/1172685187.db2.gz APFKDWVPRZTLEB-NSHDSACASA-N -1 1 287.279 1.204 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccoc1Cl ZINC001582650100 1172687843 /nfs/dbraw/zinc/68/78/43/1172687843.db2.gz LJJYDAODCKMNEB-UHFFFAOYSA-N -1 1 279.647 1.089 20 0 CDADMM C1=C(CCNc2ncncc2-c2nn[n-]n2)CCC1 ZINC001588384470 1173055306 /nfs/dbraw/zinc/05/53/06/1173055306.db2.gz PUUKKKNREBSEKW-UHFFFAOYSA-N -1 1 257.301 1.569 20 0 CDADMM C/C(=C/Cl)CSc1cnc(-c2nnn[n-]2)cn1 ZINC001588768426 1173104576 /nfs/dbraw/zinc/10/45/76/1173104576.db2.gz NMUUFMIFRBJPQY-KXFIGUGUSA-N -1 1 268.733 1.891 20 0 CDADMM C/C(=C/Cl)CSc1cnc(-c2nn[n-]n2)cn1 ZINC001588768426 1173104581 /nfs/dbraw/zinc/10/45/81/1173104581.db2.gz NMUUFMIFRBJPQY-KXFIGUGUSA-N -1 1 268.733 1.891 20 0 CDADMM CC(C)(C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])C(F)F ZINC001589058073 1173121959 /nfs/dbraw/zinc/12/19/59/1173121959.db2.gz GQBLCJXMKBXIJB-UHFFFAOYSA-N -1 1 297.265 1.802 20 0 CDADMM CC(C)(CNc1cc(-c2nnn[n-]2)ncn1)OCC1CC1 ZINC001589288471 1173134272 /nfs/dbraw/zinc/13/42/72/1173134272.db2.gz NWULZNDZYHQBBK-UHFFFAOYSA-N -1 1 289.343 1.274 20 0 CDADMM CC(C)(CNc1cc(-c2nn[n-]n2)ncn1)OCC1CC1 ZINC001589288471 1173134275 /nfs/dbraw/zinc/13/42/75/1173134275.db2.gz NWULZNDZYHQBBK-UHFFFAOYSA-N -1 1 289.343 1.274 20 0 CDADMM CC(C)(O)Cn1cc(-c2nn[n-]n2)c2ccsc2c1=O ZINC001589338950 1173139597 /nfs/dbraw/zinc/13/95/97/1173139597.db2.gz PFFYSOXXOQBHLB-UHFFFAOYSA-N -1 1 291.336 1.014 20 0 CDADMM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589491950 1173150777 /nfs/dbraw/zinc/15/07/77/1173150777.db2.gz XRXCOLQEQWOLGQ-GWCFXTLKSA-N -1 1 275.312 1.624 20 0 CDADMM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589491950 1173150780 /nfs/dbraw/zinc/15/07/80/1173150780.db2.gz XRXCOLQEQWOLGQ-GWCFXTLKSA-N -1 1 275.312 1.624 20 0 CDADMM CC(C)[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001589499490 1173150857 /nfs/dbraw/zinc/15/08/57/1173150857.db2.gz ADNRXKBWKWWABG-KOLCDFICSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001589499490 1173150860 /nfs/dbraw/zinc/15/08/60/1173150860.db2.gz ADNRXKBWKWWABG-KOLCDFICSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)n1ccc(CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001589782343 1173178643 /nfs/dbraw/zinc/17/86/43/1173178643.db2.gz PFMODZCZRCIMQZ-UHFFFAOYSA-N -1 1 285.315 1.046 20 0 CDADMM CC(C)n1ccc(CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001589782343 1173178645 /nfs/dbraw/zinc/17/86/45/1173178645.db2.gz PFMODZCZRCIMQZ-UHFFFAOYSA-N -1 1 285.315 1.046 20 0 CDADMM C[C@@H](CC(C)(C)O)OC(=O)c1sccc1-c1nn[n-]n1 ZINC001589795000 1173183946 /nfs/dbraw/zinc/18/39/46/1173183946.db2.gz AVGMEQPGXFTLDF-ZETCQYMHSA-N -1 1 296.352 1.635 20 0 CDADMM C[C@@H](CO)CSc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001589882176 1173195328 /nfs/dbraw/zinc/19/53/28/1173195328.db2.gz KLEOAKLPJJCCNN-BYPYZUCNSA-N -1 1 291.789 1.697 20 0 CDADMM C[C@@H](COCc1ccccc1)Cn1cnc(-c2nn[n-]n2)n1 ZINC001589885630 1173196678 /nfs/dbraw/zinc/19/66/78/1173196678.db2.gz NZRYJVBBWOGZGJ-LLVKDONJSA-N -1 1 299.338 1.311 20 0 CDADMM CC1(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)CCC1 ZINC001590132897 1173267106 /nfs/dbraw/zinc/26/71/06/1173267106.db2.gz WUJOCEUVNFDZDC-UHFFFAOYSA-N -1 1 272.312 1.182 20 0 CDADMM CC1(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)CCC1 ZINC001590132897 1173267113 /nfs/dbraw/zinc/26/71/13/1173267113.db2.gz WUJOCEUVNFDZDC-UHFFFAOYSA-N -1 1 272.312 1.182 20 0 CDADMM CC1(Cn2nnc(-c3ccccc3)c2-c2nn[n-]n2)COC1 ZINC001590141155 1173269435 /nfs/dbraw/zinc/26/94/35/1173269435.db2.gz BYUCNCGSRRNZEA-UHFFFAOYSA-N -1 1 297.322 1.162 20 0 CDADMM CC1(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CC(F)(F)C1 ZINC001590145254 1173273621 /nfs/dbraw/zinc/27/36/21/1173273621.db2.gz IIPAVEYEQXWJNL-UHFFFAOYSA-N -1 1 294.265 1.179 20 0 CDADMM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590186285 1173280892 /nfs/dbraw/zinc/28/08/92/1173280892.db2.gz BRSGUSPGUKAMCZ-OPRDCNLKSA-N -1 1 289.339 1.966 20 0 CDADMM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590186285 1173280898 /nfs/dbraw/zinc/28/08/98/1173280898.db2.gz BRSGUSPGUKAMCZ-OPRDCNLKSA-N -1 1 289.339 1.966 20 0 CDADMM C[C@@H]1C[C@H](C)N1C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590187982 1173285023 /nfs/dbraw/zinc/28/50/23/1173285023.db2.gz BHEYQSPJIHFUAF-OCAPTIKFSA-N -1 1 275.287 1.629 20 0 CDADMM C[C@@H]1C[C@H](C)N1C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590187982 1173285029 /nfs/dbraw/zinc/28/50/29/1173285029.db2.gz BHEYQSPJIHFUAF-OCAPTIKFSA-N -1 1 275.287 1.629 20 0 CDADMM C[C@H]1C[C@@H](COC(=O)c2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001590193960 1173286566 /nfs/dbraw/zinc/28/65/66/1173286566.db2.gz UESWGLVFMINJNY-IUCAKERBSA-N -1 1 292.295 1.432 20 0 CDADMM CC1CC(COC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590193704 1173287633 /nfs/dbraw/zinc/28/76/33/1173287633.db2.gz RYXZXIVNHQQKQV-UHFFFAOYSA-N -1 1 273.296 1.465 20 0 CDADMM CC1CC(COC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590193704 1173287637 /nfs/dbraw/zinc/28/76/37/1173287637.db2.gz RYXZXIVNHQQKQV-UHFFFAOYSA-N -1 1 273.296 1.465 20 0 CDADMM C[C@H]1CCC[C@@H]1CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001590245856 1173312851 /nfs/dbraw/zinc/31/28/51/1173312851.db2.gz ASJCTUUYYYHFJU-JGVFFNPUSA-N -1 1 275.316 1.112 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccsc2-c2nnn[n-]2)[C@H](C)CO1 ZINC001590300653 1173342310 /nfs/dbraw/zinc/34/23/10/1173342310.db2.gz XMHQZILVCSONHL-HTQZYQBOSA-N -1 1 293.352 1.178 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccsc2-c2nn[n-]n2)[C@H](C)CO1 ZINC001590300653 1173342319 /nfs/dbraw/zinc/34/23/19/1173342319.db2.gz XMHQZILVCSONHL-HTQZYQBOSA-N -1 1 293.352 1.178 20 0 CDADMM C[C@@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)[C@H]1C ZINC001590314893 1173352947 /nfs/dbraw/zinc/35/29/47/1173352947.db2.gz WGXAUUPBRKOVDI-BDAKNGLRSA-N -1 1 281.323 1.655 20 0 CDADMM C[C@@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)[C@H]1C ZINC001590314893 1173352953 /nfs/dbraw/zinc/35/29/53/1173352953.db2.gz WGXAUUPBRKOVDI-BDAKNGLRSA-N -1 1 281.323 1.655 20 0 CDADMM C[C@@H]1[C@H](C)SCCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590339167 1173364141 /nfs/dbraw/zinc/36/41/41/1173364141.db2.gz WBEGCYMDHGGXPT-SFYZADRCSA-N -1 1 293.352 1.426 20 0 CDADMM C[C@@H]1[C@H](C)SCCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590339167 1173364147 /nfs/dbraw/zinc/36/41/47/1173364147.db2.gz WBEGCYMDHGGXPT-SFYZADRCSA-N -1 1 293.352 1.426 20 0 CDADMM C[C@H]1OCC[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001590339945 1173366553 /nfs/dbraw/zinc/36/65/53/1173366553.db2.gz XMTWAXLTTMGKOR-APPZFPTMSA-N -1 1 294.336 1.396 20 0 CDADMM CC[C@@H](C)[C@@H](C)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590396219 1173385741 /nfs/dbraw/zinc/38/57/41/1173385741.db2.gz CUONEAIYDMAJEF-HTQZYQBOSA-N -1 1 294.384 1.622 20 0 CDADMM CC[C@@H](C)[C@@H](C)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590396219 1173385747 /nfs/dbraw/zinc/38/57/47/1173385747.db2.gz CUONEAIYDMAJEF-HTQZYQBOSA-N -1 1 294.384 1.622 20 0 CDADMM CCC(F)(F)COc1ccc(F)nc1-c1nn[n-]n1 ZINC001590451794 1173413103 /nfs/dbraw/zinc/41/31/03/1173413103.db2.gz MWEGYWQHFQJTOL-UHFFFAOYSA-N -1 1 273.218 1.825 20 0 CDADMM CC[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)C1CCOCC1 ZINC001590474102 1173425071 /nfs/dbraw/zinc/42/50/71/1173425071.db2.gz XXDYSUABOJYDLF-GFCCVEGCSA-N -1 1 288.355 1.301 20 0 CDADMM CC[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC001590474102 1173425075 /nfs/dbraw/zinc/42/50/75/1173425075.db2.gz XXDYSUABOJYDLF-GFCCVEGCSA-N -1 1 288.355 1.301 20 0 CDADMM CC[C@@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001590513545 1173444280 /nfs/dbraw/zinc/44/42/80/1173444280.db2.gz LESVEQDFESEDSX-LLVKDONJSA-N -1 1 287.371 1.982 20 0 CDADMM CC[C@@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001590513545 1173444282 /nfs/dbraw/zinc/44/42/82/1173444282.db2.gz LESVEQDFESEDSX-LLVKDONJSA-N -1 1 287.371 1.982 20 0 CDADMM CC[C@H]1CCN1S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001590516580 1173445479 /nfs/dbraw/zinc/44/54/79/1173445479.db2.gz HAZMZWRUNUVBNW-ZETCQYMHSA-N -1 1 299.381 1.101 20 0 CDADMM CC[C@H]1CN(c2ccnc(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC001590523353 1173451325 /nfs/dbraw/zinc/45/13/25/1173451325.db2.gz WXIMQLXLLRNFGG-ONGXEEELSA-N -1 1 274.328 1.265 20 0 CDADMM CC[C@H]1CN(c2ccnc(-c3nn[n-]n3)c2)C[C@H](C)O1 ZINC001590523353 1173451330 /nfs/dbraw/zinc/45/13/30/1173451330.db2.gz WXIMQLXLLRNFGG-ONGXEEELSA-N -1 1 274.328 1.265 20 0 CDADMM CCC[C@@H]1CN(c2cc(C)cc(-c3nnn[n-]3)n2)CCO1 ZINC001590570069 1173465403 /nfs/dbraw/zinc/46/54/03/1173465403.db2.gz XMWSSZCCKJNQAD-LLVKDONJSA-N -1 1 288.355 1.575 20 0 CDADMM CCC[C@@H]1CN(c2cc(C)cc(-c3nn[n-]n3)n2)CCO1 ZINC001590570069 1173465406 /nfs/dbraw/zinc/46/54/06/1173465406.db2.gz XMWSSZCCKJNQAD-LLVKDONJSA-N -1 1 288.355 1.575 20 0 CDADMM CCO[C@@H](CC)C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001590797920 1173513289 /nfs/dbraw/zinc/51/32/89/1173513289.db2.gz DZFRHMOPVLSWOB-NSHDSACASA-N -1 1 290.327 1.040 20 0 CDADMM CCO[C@@H](CC)C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001590797920 1173513298 /nfs/dbraw/zinc/51/32/98/1173513298.db2.gz DZFRHMOPVLSWOB-NSHDSACASA-N -1 1 290.327 1.040 20 0 CDADMM CCOCCSCc1ccc(-c2nnn[n-]2)o1 ZINC001590814856 1173518563 /nfs/dbraw/zinc/51/85/63/1173518563.db2.gz AWBKMEWCBBMQDG-UHFFFAOYSA-N -1 1 254.315 1.729 20 0 CDADMM CCOCCSCc1ccc(-c2nn[n-]n2)o1 ZINC001590814856 1173518565 /nfs/dbraw/zinc/51/85/65/1173518565.db2.gz AWBKMEWCBBMQDG-UHFFFAOYSA-N -1 1 254.315 1.729 20 0 CDADMM CCOc1cc(Oc2cccnc2-c2nnn[n-]2)nc(C)n1 ZINC001590828240 1173524359 /nfs/dbraw/zinc/52/43/59/1173524359.db2.gz JWHZJUSXASDIIE-UHFFFAOYSA-N -1 1 299.294 1.551 20 0 CDADMM CCOc1cc(Oc2cccnc2-c2nn[n-]n2)nc(C)n1 ZINC001590828240 1173524363 /nfs/dbraw/zinc/52/43/63/1173524363.db2.gz JWHZJUSXASDIIE-UHFFFAOYSA-N -1 1 299.294 1.551 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]2C2CCCC2)n1 ZINC001590906690 1173537766 /nfs/dbraw/zinc/53/77/66/1173537766.db2.gz WBBRDTGWQYXQDF-GFCCVEGCSA-N -1 1 299.382 1.988 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]2C2CCCC2)n1 ZINC001590906690 1173537773 /nfs/dbraw/zinc/53/77/73/1173537773.db2.gz WBBRDTGWQYXQDF-GFCCVEGCSA-N -1 1 299.382 1.988 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C(C2CC2)C2CC2)n1 ZINC001590903691 1173538369 /nfs/dbraw/zinc/53/83/69/1173538369.db2.gz HORIGJZSPNHDHG-UHFFFAOYSA-N -1 1 299.382 1.844 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C(C2CC2)C2CC2)n1 ZINC001590903691 1173538370 /nfs/dbraw/zinc/53/83/70/1173538370.db2.gz HORIGJZSPNHDHG-UHFFFAOYSA-N -1 1 299.382 1.844 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H]3C[C@H]3C2)n1 ZINC001590906228 1173538603 /nfs/dbraw/zinc/53/86/03/1173538603.db2.gz ANEVXFLFLYXRNZ-IUCAKERBSA-N -1 1 271.328 1.065 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H]3C[C@H]3C2)n1 ZINC001590906228 1173538604 /nfs/dbraw/zinc/53/86/04/1173538604.db2.gz ANEVXFLFLYXRNZ-IUCAKERBSA-N -1 1 271.328 1.065 20 0 CDADMM CCc1nc(NC[C@H](C)SC)cc(-c2nnn[n-]2)n1 ZINC001590917327 1173541439 /nfs/dbraw/zinc/54/14/39/1173541439.db2.gz MRUCAMMESHPUMM-ZETCQYMHSA-N -1 1 279.373 1.383 20 0 CDADMM CCc1nc(NC[C@H](C)SC)cc(-c2nn[n-]n2)n1 ZINC001590917327 1173541444 /nfs/dbraw/zinc/54/14/44/1173541444.db2.gz MRUCAMMESHPUMM-ZETCQYMHSA-N -1 1 279.373 1.383 20 0 CDADMM CCc1nc(NCCc2ccncc2)cc(-c2nnn[n-]2)n1 ZINC001590922135 1173542855 /nfs/dbraw/zinc/54/28/55/1173542855.db2.gz DEGCKUBVQMBQQJ-UHFFFAOYSA-N -1 1 296.338 1.269 20 0 CDADMM CCc1nc(NCCc2ccncc2)cc(-c2nn[n-]n2)n1 ZINC001590922135 1173542861 /nfs/dbraw/zinc/54/28/61/1173542861.db2.gz DEGCKUBVQMBQQJ-UHFFFAOYSA-N -1 1 296.338 1.269 20 0 CDADMM CCc1nnc(CNc2nc(-c3nn[n-]n3)ccc2C)o1 ZINC001590930506 1173547025 /nfs/dbraw/zinc/54/70/25/1173547025.db2.gz XXRNRKYANNTQCN-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CCn1c(C)c(Br)cc(-c2nn[n-]n2)c1=O ZINC001590943739 1173548022 /nfs/dbraw/zinc/54/80/22/1173548022.db2.gz AFBOVRQKYPCZRP-UHFFFAOYSA-N -1 1 284.117 1.119 20 0 CDADMM CN(C(=O)c1ccsc1-c1nnn[n-]1)c1nncs1 ZINC001590997891 1173560271 /nfs/dbraw/zinc/56/02/71/1173560271.db2.gz UOUJPYALOFOZKE-UHFFFAOYSA-N -1 1 293.337 1.056 20 0 CDADMM CN(C(=O)c1ccsc1-c1nn[n-]n1)c1nncs1 ZINC001590997891 1173560275 /nfs/dbraw/zinc/56/02/75/1173560275.db2.gz UOUJPYALOFOZKE-UHFFFAOYSA-N -1 1 293.337 1.056 20 0 CDADMM CO[C@@](C)([C@@H](C)Nc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001591318423 1173604419 /nfs/dbraw/zinc/60/44/19/1173604419.db2.gz RHYHUKRIMCMZCX-OTYXRUKQSA-N -1 1 288.355 1.299 20 0 CDADMM CO[C@@](C)([C@@H](C)Nc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001591318423 1173604427 /nfs/dbraw/zinc/60/44/27/1173604427.db2.gz RHYHUKRIMCMZCX-OTYXRUKQSA-N -1 1 288.355 1.299 20 0 CDADMM CO[C@@](C)([C@H](C)Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001591318604 1173604533 /nfs/dbraw/zinc/60/45/33/1173604533.db2.gz SZSDYEXCGCIHHL-SDBXPKJASA-N -1 1 289.343 1.272 20 0 CDADMM CO[C@@](C)([C@H](C)Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001591318604 1173604536 /nfs/dbraw/zinc/60/45/36/1173604536.db2.gz SZSDYEXCGCIHHL-SDBXPKJASA-N -1 1 289.343 1.272 20 0 CDADMM CO[C@@]1(C)CCCN(c2ccc(C)nc2-c2nnn[n-]2)C1 ZINC001591339954 1173618993 /nfs/dbraw/zinc/61/89/93/1173618993.db2.gz YJGUUMYBGNZCIX-AWEZNQCLSA-N -1 1 288.355 1.575 20 0 CDADMM CO[C@@]1(C)CCCN(c2ccc(C)nc2-c2nn[n-]n2)C1 ZINC001591339954 1173618996 /nfs/dbraw/zinc/61/89/96/1173618996.db2.gz YJGUUMYBGNZCIX-AWEZNQCLSA-N -1 1 288.355 1.575 20 0 CDADMM COC1(CNc2n[nH]cc2-c2nnn[n-]2)CCCCC1 ZINC001591343101 1173620032 /nfs/dbraw/zinc/62/00/32/1173620032.db2.gz YEDABRYYFFKAPR-UHFFFAOYSA-N -1 1 277.332 1.351 20 0 CDADMM COC1(CNc2n[nH]cc2-c2nn[n-]n2)CCCCC1 ZINC001591343101 1173620035 /nfs/dbraw/zinc/62/00/35/1173620035.db2.gz YEDABRYYFFKAPR-UHFFFAOYSA-N -1 1 277.332 1.351 20 0 CDADMM COC1(CSc2cccnc2-c2nnn[n-]2)CCC1 ZINC001591343913 1173620655 /nfs/dbraw/zinc/62/06/55/1173620655.db2.gz KPEFDLOVPACMQK-UHFFFAOYSA-N -1 1 277.353 1.923 20 0 CDADMM COC1(CSc2cccnc2-c2nn[n-]n2)CCC1 ZINC001591343913 1173620658 /nfs/dbraw/zinc/62/06/58/1173620658.db2.gz KPEFDLOVPACMQK-UHFFFAOYSA-N -1 1 277.353 1.923 20 0 CDADMM CO[C@H]1CC[C@@H]1N(C)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591352750 1173625839 /nfs/dbraw/zinc/62/58/39/1173625839.db2.gz AFJONRNPBICAIZ-IUCAKERBSA-N -1 1 293.352 1.178 20 0 CDADMM CO[C@H]1CN(c2snc(C)c2-c2nn[n-]n2)CC[C@@H]1C ZINC001591358988 1173628049 /nfs/dbraw/zinc/62/80/49/1173628049.db2.gz BPKFIFVPWFTOLW-CBAPKCEASA-N -1 1 294.384 1.493 20 0 CDADMM COCC1(C2CC2)CN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591385091 1173639794 /nfs/dbraw/zinc/63/97/94/1173639794.db2.gz CRRKXOXUOGOPLR-UHFFFAOYSA-N -1 1 286.339 1.125 20 0 CDADMM COCC1(C2CC2)CN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001591385091 1173639799 /nfs/dbraw/zinc/63/97/99/1173639799.db2.gz CRRKXOXUOGOPLR-UHFFFAOYSA-N -1 1 286.339 1.125 20 0 CDADMM COc1cccc([C@H](C)Nc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001591633932 1173676772 /nfs/dbraw/zinc/67/67/72/1173676772.db2.gz UDSOIQSISRHDJA-VIFPVBQESA-N -1 1 297.322 1.838 20 0 CDADMM COc1cccc([C@H](C)Nc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001591633932 1173676781 /nfs/dbraw/zinc/67/67/81/1173676781.db2.gz UDSOIQSISRHDJA-VIFPVBQESA-N -1 1 297.322 1.838 20 0 CDADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591753369 1173697490 /nfs/dbraw/zinc/69/74/90/1173697490.db2.gz VIKGCLURPRLCDV-SDNRWEOFSA-N -1 1 299.338 1.428 20 0 CDADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591753369 1173697494 /nfs/dbraw/zinc/69/74/94/1173697494.db2.gz VIKGCLURPRLCDV-SDNRWEOFSA-N -1 1 299.338 1.428 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)n1 ZINC001591894858 1173740689 /nfs/dbraw/zinc/74/06/89/1173740689.db2.gz AXVCTZNOQLRPSU-PXIYARARSA-N -1 1 285.355 1.669 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)n1 ZINC001591894858 1173740695 /nfs/dbraw/zinc/74/06/95/1173740695.db2.gz AXVCTZNOQLRPSU-PXIYARARSA-N -1 1 285.355 1.669 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CS[C@H](C)C2)n1 ZINC001591894125 1173742363 /nfs/dbraw/zinc/74/23/63/1173742363.db2.gz ZPIVXYJBFQWNDU-HTQZYQBOSA-N -1 1 277.357 1.271 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CS[C@H](C)C2)n1 ZINC001591894125 1173742367 /nfs/dbraw/zinc/74/23/67/1173742367.db2.gz ZPIVXYJBFQWNDU-HTQZYQBOSA-N -1 1 277.357 1.271 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(S[C@H]2CCO[C@@H]2C)n1 ZINC001591904594 1173743362 /nfs/dbraw/zinc/74/33/62/1173743362.db2.gz ZMQXSQMETLBUTJ-APPZFPTMSA-N -1 1 278.341 1.235 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(S[C@H]2CCO[C@@H]2C)n1 ZINC001591904594 1173743364 /nfs/dbraw/zinc/74/33/64/1173743364.db2.gz ZMQXSQMETLBUTJ-APPZFPTMSA-N -1 1 278.341 1.235 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCc2cccc(F)n2)n1 ZINC001591901066 1173745499 /nfs/dbraw/zinc/74/54/99/1173745499.db2.gz YFWPEQDOOZTHRU-UHFFFAOYSA-N -1 1 286.274 1.111 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCc2cccc(F)n2)n1 ZINC001591901066 1173745502 /nfs/dbraw/zinc/74/55/02/1173745502.db2.gz YFWPEQDOOZTHRU-UHFFFAOYSA-N -1 1 286.274 1.111 20 0 CDADMM Cc1cc(N(C)C)ccc1Nc1cncc(-c2nnn[n-]2)n1 ZINC001591995271 1173766521 /nfs/dbraw/zinc/76/65/21/1173766521.db2.gz MKEPZRDBRBJXCA-UHFFFAOYSA-N -1 1 296.338 1.775 20 0 CDADMM Cc1cc(N(C)C)ccc1Nc1cncc(-c2nn[n-]n2)n1 ZINC001591995271 1173766527 /nfs/dbraw/zinc/76/65/27/1173766527.db2.gz MKEPZRDBRBJXCA-UHFFFAOYSA-N -1 1 296.338 1.775 20 0 CDADMM Cc1cc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)n[nH]1 ZINC001592029412 1173775810 /nfs/dbraw/zinc/77/58/10/1173775810.db2.gz OXMHBRNFBDZJHR-UHFFFAOYSA-N -1 1 273.256 1.052 20 0 CDADMM Cc1cc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)n[nH]1 ZINC001592029412 1173775816 /nfs/dbraw/zinc/77/58/16/1173775816.db2.gz OXMHBRNFBDZJHR-UHFFFAOYSA-N -1 1 273.256 1.052 20 0 CDADMM Cc1cc(N[C@H](C)[C@@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001592032724 1173777532 /nfs/dbraw/zinc/77/75/32/1173777532.db2.gz DGGQHPLUJWQVRL-GHMZBOCLSA-N -1 1 288.355 1.219 20 0 CDADMM Cc1cc(N[C@H](C)[C@@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001592032724 1173777537 /nfs/dbraw/zinc/77/75/37/1173777537.db2.gz DGGQHPLUJWQVRL-GHMZBOCLSA-N -1 1 288.355 1.219 20 0 CDADMM Cc1cc(Oc2ccc(F)nc2-c2nn[n-]n2)nc(C)n1 ZINC001592062984 1173792330 /nfs/dbraw/zinc/79/23/30/1173792330.db2.gz WAMFUMUGQUZVMZ-UHFFFAOYSA-N -1 1 287.258 1.600 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCCOC(C)(C)C ZINC001592113150 1173805350 /nfs/dbraw/zinc/80/53/50/1173805350.db2.gz WESKBKMDNMUHOJ-UHFFFAOYSA-N -1 1 276.344 1.797 20 0 CDADMM Cc1ccc(N2CCO[C@@H](C(F)F)C2)nc1-c1nnn[n-]1 ZINC001592174747 1173822382 /nfs/dbraw/zinc/82/23/82/1173822382.db2.gz BNJKNZWXHPQNOR-MRVPVSSYSA-N -1 1 296.281 1.040 20 0 CDADMM Cc1ccc(N2CCO[C@@H](C(F)F)C2)nc1-c1nn[n-]n1 ZINC001592174747 1173822389 /nfs/dbraw/zinc/82/23/89/1173822389.db2.gz BNJKNZWXHPQNOR-MRVPVSSYSA-N -1 1 296.281 1.040 20 0 CDADMM Cc1ccc(N(C)C[C@@H]2CCCO2)nc1-c1nnn[n-]1 ZINC001592175272 1173823322 /nfs/dbraw/zinc/82/33/22/1173823322.db2.gz LFIIVFILRXGHMS-JTQLQIEISA-N -1 1 274.328 1.185 20 0 CDADMM Cc1ccc(N(C)C[C@@H]2CCCO2)nc1-c1nn[n-]n1 ZINC001592175272 1173823328 /nfs/dbraw/zinc/82/33/28/1173823328.db2.gz LFIIVFILRXGHMS-JTQLQIEISA-N -1 1 274.328 1.185 20 0 CDADMM Cc1ccc(N2C[C@H](C)C[C@H](CO)C2)c(-c2nnn[n-]2)n1 ZINC001592176198 1173823963 /nfs/dbraw/zinc/82/39/63/1173823963.db2.gz XIXDGRVFVSDYKZ-KOLCDFICSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(N2C[C@H](C)C[C@H](CO)C2)c(-c2nn[n-]n2)n1 ZINC001592176198 1173823973 /nfs/dbraw/zinc/82/39/73/1173823973.db2.gz XIXDGRVFVSDYKZ-KOLCDFICSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(N2CCC[C@](C)(CO)C2)c(-c2nnn[n-]2)n1 ZINC001592177881 1173825134 /nfs/dbraw/zinc/82/51/34/1173825134.db2.gz NCODESDVSIKLGR-AWEZNQCLSA-N -1 1 288.355 1.169 20 0 CDADMM Cc1ccc(N2CCC[C@](C)(CO)C2)c(-c2nn[n-]n2)n1 ZINC001592177881 1173825138 /nfs/dbraw/zinc/82/51/38/1173825138.db2.gz NCODESDVSIKLGR-AWEZNQCLSA-N -1 1 288.355 1.169 20 0 CDADMM Cc1ccc(NC2C[C@@H](C)O[C@H](C)C2)nc1-c1nnn[n-]1 ZINC001592183183 1173826041 /nfs/dbraw/zinc/82/60/41/1173826041.db2.gz AGJPDESIZFAYSK-NXEZZACHSA-N -1 1 288.355 1.938 20 0 CDADMM Cc1ccc(NC2C[C@@H](C)O[C@H](C)C2)nc1-c1nn[n-]n1 ZINC001592183183 1173826049 /nfs/dbraw/zinc/82/60/49/1173826049.db2.gz AGJPDESIZFAYSK-NXEZZACHSA-N -1 1 288.355 1.938 20 0 CDADMM Cc1ccc(NCC(C)(C)C(C)(C)O)c(-c2nnn[n-]2)n1 ZINC001592182857 1173826453 /nfs/dbraw/zinc/82/64/53/1173826453.db2.gz BXRRTAIGOBKJOR-UHFFFAOYSA-N -1 1 290.371 1.779 20 0 CDADMM Cc1ccc(NCC(C)(C)C(C)(C)O)c(-c2nn[n-]n2)n1 ZINC001592182857 1173826457 /nfs/dbraw/zinc/82/64/57/1173826457.db2.gz BXRRTAIGOBKJOR-UHFFFAOYSA-N -1 1 290.371 1.779 20 0 CDADMM Cc1ccc(NCc2ccccn2)nc1-c1nnn[n-]1 ZINC001592185280 1173830752 /nfs/dbraw/zinc/83/07/52/1173830752.db2.gz UTHQALLNEHBFOT-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1ccc(NCc2ccccn2)nc1-c1nn[n-]n1 ZINC001592185280 1173830753 /nfs/dbraw/zinc/83/07/53/1173830753.db2.gz UTHQALLNEHBFOT-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1ccc([C@@H]2C[C@H]2Nc2ncncc2-c2nn[n-]n2)cc1 ZINC001592199150 1173833641 /nfs/dbraw/zinc/83/36/41/1173833641.db2.gz GRCSDWHTEQYNMQ-WCQYABFASA-N -1 1 293.334 1.933 20 0 CDADMM Cc1cnn(C)c1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001592302806 1173852708 /nfs/dbraw/zinc/85/27/08/1173852708.db2.gz PNPWKSVSIMWTPQ-UHFFFAOYSA-N -1 1 289.324 1.222 20 0 CDADMM Cc1cnn(C)c1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001592302806 1173852713 /nfs/dbraw/zinc/85/27/13/1173852713.db2.gz PNPWKSVSIMWTPQ-UHFFFAOYSA-N -1 1 289.324 1.222 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(Cc2ncccc2Cl)c1C ZINC001592341415 1173861970 /nfs/dbraw/zinc/86/19/70/1173861970.db2.gz XDMHVDYDEZPXRK-UHFFFAOYSA-N -1 1 289.730 1.777 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2ncccc2Cl)c1C ZINC001592341415 1173861974 /nfs/dbraw/zinc/86/19/74/1173861974.db2.gz XDMHVDYDEZPXRK-UHFFFAOYSA-N -1 1 289.730 1.777 20 0 CDADMM Cc1nc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)oc1C ZINC001592378852 1173874495 /nfs/dbraw/zinc/87/44/95/1173874495.db2.gz KHNDWEKKGPOULR-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1nc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)oc1C ZINC001592378852 1173874501 /nfs/dbraw/zinc/87/45/01/1173874501.db2.gz KHNDWEKKGPOULR-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1nc(NCCCC2CC2)cc(-c2nnn[n-]2)n1 ZINC001592390485 1173878966 /nfs/dbraw/zinc/87/89/66/1173878966.db2.gz RNFBHDFIMVLSSG-UHFFFAOYSA-N -1 1 259.317 1.567 20 0 CDADMM Cc1nc(NCCCC2CC2)cc(-c2nn[n-]n2)n1 ZINC001592390485 1173878970 /nfs/dbraw/zinc/87/89/70/1173878970.db2.gz RNFBHDFIMVLSSG-UHFFFAOYSA-N -1 1 259.317 1.567 20 0 CDADMM Cc1ncc([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)s1 ZINC001592408183 1173880918 /nfs/dbraw/zinc/88/09/18/1173880918.db2.gz DJUYNWDVTKILRM-ZCFIWIBFSA-N -1 1 288.340 1.595 20 0 CDADMM Cc1ncc([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)s1 ZINC001592408183 1173880921 /nfs/dbraw/zinc/88/09/21/1173880921.db2.gz DJUYNWDVTKILRM-ZCFIWIBFSA-N -1 1 288.340 1.595 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1nccnc1C ZINC001592419870 1173883262 /nfs/dbraw/zinc/88/32/62/1173883262.db2.gz AUFDUZWKAZUJTN-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1nccnc1C ZINC001592419870 1173883267 /nfs/dbraw/zinc/88/32/67/1173883267.db2.gz AUFDUZWKAZUJTN-UHFFFAOYSA-N -1 1 285.267 1.119 20 0 CDADMM Cc1ncccc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592417342 1173884224 /nfs/dbraw/zinc/88/42/24/1173884224.db2.gz WPDWNHYTQDSJJX-UHFFFAOYSA-N -1 1 270.252 1.415 20 0 CDADMM Cc1ncccc1COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592417306 1173885304 /nfs/dbraw/zinc/88/53/04/1173885304.db2.gz UQMDJYFZNJKGJP-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1nnc([C@@H](C)NCc2ccc(-c3nnn[n-]3)o2)o1 ZINC001592441096 1173891105 /nfs/dbraw/zinc/89/11/05/1173891105.db2.gz RKXBOIGQKOZOEJ-ZCFIWIBFSA-N -1 1 275.272 1.002 20 0 CDADMM Cc1nnc([C@@H](C)NCc2ccc(-c3nn[n-]n3)o2)o1 ZINC001592441096 1173891117 /nfs/dbraw/zinc/89/11/17/1173891117.db2.gz RKXBOIGQKOZOEJ-ZCFIWIBFSA-N -1 1 275.272 1.002 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@H]1C[C@H]1C(C)C ZINC001592501839 1173909145 /nfs/dbraw/zinc/90/91/45/1173909145.db2.gz SZFUVDOSHZIBQP-UWVGGRQHSA-N -1 1 289.339 1.790 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@H]1C[C@H]1C(C)C ZINC001592501839 1173909149 /nfs/dbraw/zinc/90/91/49/1173909149.db2.gz SZFUVDOSHZIBQP-UWVGGRQHSA-N -1 1 289.339 1.790 20 0 CDADMM Clc1cccc2c1CN(c1cc(-c3nnn[n-]3)ncn1)C2 ZINC001592536360 1173916759 /nfs/dbraw/zinc/91/67/59/1173916759.db2.gz UYLNHDFYONKPRW-UHFFFAOYSA-N -1 1 299.725 1.830 20 0 CDADMM Clc1cccc2c1CN(c1cc(-c3nn[n-]n3)ncn1)C2 ZINC001592536360 1173916763 /nfs/dbraw/zinc/91/67/63/1173916763.db2.gz UYLNHDFYONKPRW-UHFFFAOYSA-N -1 1 299.725 1.830 20 0 CDADMM Fc1cccc(S[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC001592658675 1173958060 /nfs/dbraw/zinc/95/80/60/1173958060.db2.gz SRUHCXNREYLUMJ-SSDOTTSWSA-N -1 1 266.301 1.887 20 0 CDADMM O=C(C=C1CCC1)Nc1ncc(-c2nnn[n-]2)s1 ZINC001592790748 1173988429 /nfs/dbraw/zinc/98/84/29/1173988429.db2.gz AFLNBZGTXNJGBE-UHFFFAOYSA-N -1 1 262.298 1.372 20 0 CDADMM O=C(C=C1CCC1)Nc1ncc(-c2nn[n-]n2)s1 ZINC001592790748 1173988435 /nfs/dbraw/zinc/98/84/35/1173988435.db2.gz AFLNBZGTXNJGBE-UHFFFAOYSA-N -1 1 262.298 1.372 20 0 CDADMM O=C(C[C@H]1CCOC1)OCc1ccc(-c2nn[n-]n2)s1 ZINC001592824416 1173993866 /nfs/dbraw/zinc/99/38/66/1173993866.db2.gz QTKNSBMPNRJYJX-MRVPVSSYSA-N -1 1 294.336 1.398 20 0 CDADMM O=C(N[C@@H]1CCCC2(CC2)C1)c1ccc(-c2nnn[n-]2)o1 ZINC001592979512 1174011241 /nfs/dbraw/zinc/01/12/41/1174011241.db2.gz VDCXFXFPTIOODZ-SECBINFHSA-N -1 1 287.323 1.912 20 0 CDADMM O=C(N[C@@H]1CCCC2(CC2)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001592979512 1174011246 /nfs/dbraw/zinc/01/12/46/1174011246.db2.gz VDCXFXFPTIOODZ-SECBINFHSA-N -1 1 287.323 1.912 20 0 CDADMM O=C(NOC1CCCCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593167145 1174028255 /nfs/dbraw/zinc/02/82/55/1174028255.db2.gz RMKVFTPSWSLDJB-UHFFFAOYSA-N -1 1 288.311 1.256 20 0 CDADMM O=C(NOC1CCCCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593167145 1174028263 /nfs/dbraw/zinc/02/82/63/1174028263.db2.gz RMKVFTPSWSLDJB-UHFFFAOYSA-N -1 1 288.311 1.256 20 0 CDADMM O=C(N[C@@H]1CCc2ccccc21)c1coc(-c2nnn[n-]2)c1 ZINC001593177061 1174029411 /nfs/dbraw/zinc/02/94/11/1174029411.db2.gz QHZRQEMHTUYNEQ-GFCCVEGCSA-N -1 1 295.302 1.877 20 0 CDADMM O=C(N[C@@H]1CCc2ccccc21)c1coc(-c2nn[n-]n2)c1 ZINC001593177061 1174029416 /nfs/dbraw/zinc/02/94/16/1174029416.db2.gz QHZRQEMHTUYNEQ-GFCCVEGCSA-N -1 1 295.302 1.877 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccsc1Cl ZINC001593199570 1174032719 /nfs/dbraw/zinc/03/27/19/1174032719.db2.gz MRICNHHXYSMUDF-UHFFFAOYSA-N -1 1 295.715 1.557 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccsc1Cl ZINC001593199570 1174032724 /nfs/dbraw/zinc/03/27/24/1174032724.db2.gz MRICNHHXYSMUDF-UHFFFAOYSA-N -1 1 295.715 1.557 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1C[C@H]1c1ccco1 ZINC001593245383 1174040091 /nfs/dbraw/zinc/04/00/91/1174040091.db2.gz LQZDVNZWHSXAPF-RKDXNWHRSA-N -1 1 296.290 1.597 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1C[C@H]1c1ccco1 ZINC001593245383 1174040097 /nfs/dbraw/zinc/04/00/97/1174040097.db2.gz LQZDVNZWHSXAPF-RKDXNWHRSA-N -1 1 296.290 1.597 20 0 CDADMM O=C(Nc1cccc(O)c1)c1cccc(-c2nnn[n-]2)n1 ZINC001593247793 1174040576 /nfs/dbraw/zinc/04/05/76/1174040576.db2.gz CQCCKABFGLEYRI-UHFFFAOYSA-N -1 1 282.263 1.220 20 0 CDADMM O=C(Nc1cccc(O)c1)c1cccc(-c2nn[n-]n2)n1 ZINC001593247793 1174040582 /nfs/dbraw/zinc/04/05/82/1174040582.db2.gz CQCCKABFGLEYRI-UHFFFAOYSA-N -1 1 282.263 1.220 20 0 CDADMM O=C(c1ccsc1-c1nnn[n-]1)N1CC(C(F)F)C1 ZINC001593360776 1174072015 /nfs/dbraw/zinc/07/20/15/1174072015.db2.gz HZEBVNGONPRNIF-UHFFFAOYSA-N -1 1 285.279 1.265 20 0 CDADMM O=C(c1ccsc1-c1nn[n-]n1)N1CC(C(F)F)C1 ZINC001593360776 1174072020 /nfs/dbraw/zinc/07/20/20/1174072020.db2.gz HZEBVNGONPRNIF-UHFFFAOYSA-N -1 1 285.279 1.265 20 0 CDADMM O[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CCCCC1 ZINC001593506191 1174092047 /nfs/dbraw/zinc/09/20/47/1174092047.db2.gz GXBKZJMOGFWGLR-LLVKDONJSA-N -1 1 289.343 1.010 20 0 CDADMM O[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC001593506191 1174092051 /nfs/dbraw/zinc/09/20/51/1174092051.db2.gz GXBKZJMOGFWGLR-LLVKDONJSA-N -1 1 289.343 1.010 20 0 CDADMM OC1(C2CCN(c3ccnc(-c4nnn[n-]4)c3)CC2)CC1 ZINC001593510709 1174093079 /nfs/dbraw/zinc/09/30/79/1174093079.db2.gz MELLVEZZAZSMFT-UHFFFAOYSA-N -1 1 286.339 1.003 20 0 CDADMM OC1(C2CCN(c3ccnc(-c4nn[n-]n4)c3)CC2)CC1 ZINC001593510709 1174093085 /nfs/dbraw/zinc/09/30/85/1174093085.db2.gz MELLVEZZAZSMFT-UHFFFAOYSA-N -1 1 286.339 1.003 20 0 CDADMM OC[C@@H](CC1CCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593523992 1174101541 /nfs/dbraw/zinc/10/15/41/1174101541.db2.gz ZLESTEDRZPTCQB-SNVBAGLBSA-N -1 1 274.328 1.225 20 0 CDADMM OC[C@@H](CC1CCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593523992 1174101545 /nfs/dbraw/zinc/10/15/45/1174101545.db2.gz ZLESTEDRZPTCQB-SNVBAGLBSA-N -1 1 274.328 1.225 20 0 CDADMM c1cc(-c2cn3c(n2)COCC3)c(-c2nnn[n-]2)s1 ZINC001593545105 1174115384 /nfs/dbraw/zinc/11/53/84/1174115384.db2.gz VYYRLEKKUMFWTG-UHFFFAOYSA-N -1 1 274.309 1.322 20 0 CDADMM c1cc(-c2cn3c(n2)COCC3)c(-c2nn[n-]n2)s1 ZINC001593545105 1174115390 /nfs/dbraw/zinc/11/53/90/1174115390.db2.gz VYYRLEKKUMFWTG-UHFFFAOYSA-N -1 1 274.309 1.322 20 0 CDADMM c1c[nH]c(SCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001593545007 1174115601 /nfs/dbraw/zinc/11/56/01/1174115601.db2.gz TYFNFZCTHYPXPV-UHFFFAOYSA-N -1 1 264.339 1.944 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CC[C@H]3OCCC[C@H]3C2)c1 ZINC001593549710 1174122000 /nfs/dbraw/zinc/12/20/00/1174122000.db2.gz BUBQFCSXSFQZAY-CMPLNLGQSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CC[C@H]3OCCC[C@H]3C2)c1 ZINC001593549710 1174122006 /nfs/dbraw/zinc/12/20/06/1174122006.db2.gz BUBQFCSXSFQZAY-CMPLNLGQSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(-c2nnn[n-]2)ncc1-c1nc([C@@H]2CCCOC2)no1 ZINC001593551547 1174124478 /nfs/dbraw/zinc/12/44/78/1174124478.db2.gz NGSJWZCDWUIITD-SECBINFHSA-N -1 1 299.294 1.206 20 0 CDADMM c1cc(-c2nn[n-]n2)ncc1-c1nc([C@@H]2CCCOC2)no1 ZINC001593551547 1174124485 /nfs/dbraw/zinc/12/44/85/1174124485.db2.gz NGSJWZCDWUIITD-SECBINFHSA-N -1 1 299.294 1.206 20 0 CDADMM c1cc(N2CCCC3(CCCC3)C2)nnc1-c1nnn[n-]1 ZINC001593558484 1174133543 /nfs/dbraw/zinc/13/35/43/1174133543.db2.gz DMWNSKDZRYLDHS-UHFFFAOYSA-N -1 1 285.355 1.817 20 0 CDADMM c1cc(N2CCCC3(CCCC3)C2)nnc1-c1nn[n-]n1 ZINC001593558484 1174133549 /nfs/dbraw/zinc/13/35/49/1174133549.db2.gz DMWNSKDZRYLDHS-UHFFFAOYSA-N -1 1 285.355 1.817 20 0 CDADMM c1cc(NC[C@]23C[C@H]2CCC3)nc(-c2nnn[n-]2)c1 ZINC001593561296 1174136785 /nfs/dbraw/zinc/13/67/85/1174136785.db2.gz VMYPWHCRSRRAKD-RNCFNFMXSA-N -1 1 256.313 1.864 20 0 CDADMM c1cc(NC[C@]23C[C@H]2CCC3)nc(-c2nn[n-]n2)c1 ZINC001593561296 1174136789 /nfs/dbraw/zinc/13/67/89/1174136789.db2.gz VMYPWHCRSRRAKD-RNCFNFMXSA-N -1 1 256.313 1.864 20 0 CDADMM c1ccc(CC2CN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001593571986 1174142560 /nfs/dbraw/zinc/14/25/60/1174142560.db2.gz KNUPYSMLIXSTSE-UHFFFAOYSA-N -1 1 293.334 1.336 20 0 CDADMM c1ccc(CC2CN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001593571986 1174142566 /nfs/dbraw/zinc/14/25/66/1174142566.db2.gz KNUPYSMLIXSTSE-UHFFFAOYSA-N -1 1 293.334 1.336 20 0 CDADMM c1coc([C@@H]2C[C@H]2Nc2ncncc2-c2nn[n-]n2)c1 ZINC001593589490 1174155982 /nfs/dbraw/zinc/15/59/82/1174155982.db2.gz YXVMBONCQLIVFP-VXNVDRBHSA-N -1 1 269.268 1.218 20 0 CDADMM c1nc(NCCCOC2CCCC2)cc(-c2nnn[n-]2)n1 ZINC001593590616 1174157126 /nfs/dbraw/zinc/15/71/26/1174157126.db2.gz AEAPDIKDXNMWDZ-UHFFFAOYSA-N -1 1 289.343 1.418 20 0 CDADMM c1nc(NCCCOC2CCCC2)cc(-c2nn[n-]n2)n1 ZINC001593590616 1174157139 /nfs/dbraw/zinc/15/71/39/1174157139.db2.gz AEAPDIKDXNMWDZ-UHFFFAOYSA-N -1 1 289.343 1.418 20 0 CDADMM Cn1c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c[nH]c1=O ZINC001595436585 1174202686 /nfs/dbraw/zinc/20/26/86/1174202686.db2.gz ZOFFWVCOZBWASH-UHFFFAOYSA-N -1 1 299.290 1.474 20 0 CDADMM Cc1cc(CCC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)n[nH]1 ZINC001600188726 1174392355 /nfs/dbraw/zinc/39/23/55/1174392355.db2.gz RVDPYBZXMWFEIN-DNIRFERGSA-N -1 1 291.351 1.266 20 0 CDADMM Cc1cc(CN2CCC3(CC2)OCCO3)[nH]c1C(=O)[O-] ZINC001600192661 1174399401 /nfs/dbraw/zinc/39/94/01/1174399401.db2.gz FWHZVDLZHKCEEW-UHFFFAOYSA-N -1 1 280.324 1.360 20 0 CDADMM Cc1ccc(CN2CCN3CCOC[C@@H]3C2)cc1C(=O)[O-] ZINC001600414388 1174469652 /nfs/dbraw/zinc/46/96/52/1174469652.db2.gz OTWHLXUFAJLPRF-AWEZNQCLSA-N -1 1 290.363 1.210 20 0 CDADMM CC1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC000095253768 1174520795 /nfs/dbraw/zinc/52/07/95/1174520795.db2.gz AOUPRSGBMRIHOS-UHFFFAOYSA-N -1 1 273.344 1.895 20 0 CDADMM CC1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC000095253768 1174520797 /nfs/dbraw/zinc/52/07/97/1174520797.db2.gz AOUPRSGBMRIHOS-UHFFFAOYSA-N -1 1 273.344 1.895 20 0 CDADMM Cc1ncc(NC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1C(=O)[O-] ZINC001600741013 1174585837 /nfs/dbraw/zinc/58/58/37/1174585837.db2.gz VJOAASCDZDZSKE-SECBINFHSA-N -1 1 277.324 1.369 20 0 CDADMM Cc1ncc(NC(=O)CN2CC[C@@H](C)C2)cc1C(=O)[O-] ZINC001600741013 1174585843 /nfs/dbraw/zinc/58/58/43/1174585843.db2.gz VJOAASCDZDZSKE-SECBINFHSA-N -1 1 277.324 1.369 20 0 CDADMM Cn1c(CN[C@@H]2c3ccccc3C[C@@H]2O)ccc1C(=O)[O-] ZINC001600917049 1174664861 /nfs/dbraw/zinc/66/48/61/1174664861.db2.gz ZNCPDDSNHSFRDT-LSDHHAIUSA-N -1 1 286.331 1.471 20 0 CDADMM O=C([O-])c1cccc(CCNC(=O)Cc2cnc[nH]2)c1 ZINC001601372799 1174849083 /nfs/dbraw/zinc/84/90/83/1174849083.db2.gz XHUUFEAAVYIHTP-UHFFFAOYSA-N -1 1 273.292 1.009 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)Cn3cccn3)[nH]c21 ZINC001601389782 1174853845 /nfs/dbraw/zinc/85/38/45/1174853845.db2.gz ZRURWIRWZXAUNU-UHFFFAOYSA-N -1 1 285.263 1.096 20 0 CDADMM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1n[nH]nc1-c1ccccc1 ZINC001601575810 1174905278 /nfs/dbraw/zinc/90/52/78/1174905278.db2.gz DSKDIRGDTNZFGC-MGCOHNPYSA-N -1 1 286.291 1.065 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2n[nH]c3cc(O)ccc32)c[nH]1 ZINC001601629048 1174916266 /nfs/dbraw/zinc/91/62/66/1174916266.db2.gz WLBAMORCPSTAOR-UHFFFAOYSA-N -1 1 286.247 1.547 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)c3ccns3)[nH]c21 ZINC001601630788 1174917233 /nfs/dbraw/zinc/91/72/33/1174917233.db2.gz LBPDZXOFYRKRIR-UHFFFAOYSA-N -1 1 288.288 1.970 20 0 CDADMM O=C([O-])C1(CSc2nnc(C3CC3)[nH]2)CCOCC1 ZINC001601718101 1174965899 /nfs/dbraw/zinc/96/58/99/1174965899.db2.gz NEWVWGPDPVUONK-UHFFFAOYSA-N -1 1 283.353 1.656 20 0 CDADMM O=C([O-])C1(CSc2n[nH]c(C3CC3)n2)CCOCC1 ZINC001601718101 1174965901 /nfs/dbraw/zinc/96/59/01/1174965901.db2.gz NEWVWGPDPVUONK-UHFFFAOYSA-N -1 1 283.353 1.656 20 0 CDADMM O=C([O-])CC1(NCc2cn(C3CCC3)nn2)CC1 ZINC001601936365 1175073092 /nfs/dbraw/zinc/07/30/92/1175073092.db2.gz WSRFDIVOXOVYOF-UHFFFAOYSA-N -1 1 250.302 1.100 20 0 CDADMM O=C([O-])c1cc(CN2CC[C@@H](Nc3ncccn3)C2)c[nH]1 ZINC001602256620 1175183820 /nfs/dbraw/zinc/18/38/20/1175183820.db2.gz LFXKQNQDRSHUAB-LLVKDONJSA-N -1 1 287.323 1.189 20 0 CDADMM O=C([O-])c1cccc2c1CC[N@@H+](CCC1OCCCO1)C2 ZINC001602456762 1175246762 /nfs/dbraw/zinc/24/67/62/1175246762.db2.gz BTJHMJLYDITJNJ-UHFFFAOYSA-N -1 1 291.347 1.896 20 0 CDADMM O=C([O-])c1cncc(CN2CCC(c3cn[nH]c3)CC2)c1 ZINC001602537854 1175278982 /nfs/dbraw/zinc/27/89/82/1175278982.db2.gz BQGFMTHPYAXXCE-UHFFFAOYSA-N -1 1 286.335 1.883 20 0 CDADMM O=C([O-])c1coc(CNC(=O)[C@H]2CCc3[nH]cnc3C2)c1 ZINC001602552610 1175291794 /nfs/dbraw/zinc/29/17/94/1175291794.db2.gz AMZLKLXKMONCLC-QMMMGPOBSA-N -1 1 289.291 1.122 20 0 CDADMM O=C([O-])c1sccc1CN1CC[C@@]12CCOC2 ZINC001602595175 1175314285 /nfs/dbraw/zinc/31/42/85/1175314285.db2.gz KQQZTSUZZWLWLB-LBPRGKRZSA-N -1 1 253.323 1.811 20 0 CDADMM C1=CC[C@H](CNc2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001602750325 1175387104 /nfs/dbraw/zinc/38/71/04/1175387104.db2.gz VZDRRRYSPVPBIR-VIFPVBQESA-N -1 1 257.301 1.425 20 0 CDADMM C1=CC[C@H](CNc2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001602750325 1175387111 /nfs/dbraw/zinc/38/71/11/1175387111.db2.gz VZDRRRYSPVPBIR-VIFPVBQESA-N -1 1 257.301 1.425 20 0 CDADMM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)o1)C(C)(F)F ZINC001603037799 1175480162 /nfs/dbraw/zinc/48/01/62/1175480162.db2.gz WZYWBRJRZYFLSI-ZCFIWIBFSA-N -1 1 286.238 1.794 20 0 CDADMM 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KROACPVHWWHEDE-JGVFFNPUSA-N -1 1 293.352 1.226 20 0 CDADMM C[C@H]1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)O1 ZINC001590230132 1173308844 /nfs/dbraw/zinc/30/88/44/1173308844.db2.gz KROACPVHWWHEDE-JGVFFNPUSA-N -1 1 293.352 1.226 20 0 CDADMM C[C@H]1CCC[C@@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001590238405 1173311276 /nfs/dbraw/zinc/31/12/76/1173311276.db2.gz GMOIDPUNIBKRMG-JGVFFNPUSA-N -1 1 275.316 1.355 20 0 CDADMM C[C@H]1CCC[C@@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001590238405 1173311284 /nfs/dbraw/zinc/31/12/84/1173311284.db2.gz GMOIDPUNIBKRMG-JGVFFNPUSA-N -1 1 275.316 1.355 20 0 CDADMM CC[C@H](C)[C@H](C)C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001590398060 1173388095 /nfs/dbraw/zinc/38/80/95/1173388095.db2.gz WCHZAMCOLHHRDA-UWVGGRQHSA-N -1 1 289.339 1.959 20 0 CDADMM CC[C@@H](C)[C@H](C)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590399708 1173389344 /nfs/dbraw/zinc/38/93/44/1173389344.db2.gz KHNWEEXPMLNCQY-BDAKNGLRSA-N -1 1 289.343 1.818 20 0 CDADMM CC[C@@H](C)[C@H](C)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590399708 1173389347 /nfs/dbraw/zinc/38/93/47/1173389347.db2.gz KHNWEEXPMLNCQY-BDAKNGLRSA-N -1 1 289.343 1.818 20 0 CDADMM CC[C@@H](C)CCC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590407029 1173391732 /nfs/dbraw/zinc/39/17/32/1173391732.db2.gz IMFXCSTZKBPRNK-MRVPVSSYSA-N -1 1 277.332 1.365 20 0 CDADMM CC[C@@H](C)CCC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590407029 1173391737 /nfs/dbraw/zinc/39/17/37/1173391737.db2.gz IMFXCSTZKBPRNK-MRVPVSSYSA-N -1 1 277.332 1.365 20 0 CDADMM CC[C@H](C)[C@H](C)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590402372 1173393029 /nfs/dbraw/zinc/39/30/29/1173393029.db2.gz YXDJVKNQLZSLQL-IUCAKERBSA-N -1 1 274.328 1.426 20 0 CDADMM CC[C@H](C)[C@H](C)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590402372 1173393034 /nfs/dbraw/zinc/39/30/34/1173393034.db2.gz YXDJVKNQLZSLQL-IUCAKERBSA-N -1 1 274.328 1.426 20 0 CDADMM CC1(C)CN(C(=O)c2c(F)ccc([O-])c2F)CC[C@@H]1O ZINC000336447416 278319153 /nfs/dbraw/zinc/31/91/53/278319153.db2.gz JVEZTVPAHQSBDL-JTQLQIEISA-N -1 1 285.290 1.903 20 0 CDADMM CC[C@H](C[C@H](C)CO)Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001590425253 1173404945 /nfs/dbraw/zinc/40/49/45/1173404945.db2.gz QRLNNNMSQITIJG-WCBMZHEXSA-N -1 1 291.359 1.174 20 0 CDADMM CC[C@H](C[C@H](C)CO)Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001590425253 1173404952 /nfs/dbraw/zinc/40/49/52/1173404952.db2.gz QRLNNNMSQITIJG-WCBMZHEXSA-N -1 1 291.359 1.174 20 0 CDADMM Cc1noc(CNC(=O)c2cc(F)ccc2[O-])n1 ZINC000080003819 279241216 /nfs/dbraw/zinc/24/12/16/279241216.db2.gz VWWSELLLQJFKPQ-UHFFFAOYSA-N -1 1 251.217 1.153 20 0 CDADMM O=C(Nc1ccnn1C[C@H]1CCOC1)c1ccccc1[O-] ZINC000123611695 279439217 /nfs/dbraw/zinc/43/92/17/279439217.db2.gz DVHHHEPYFIHSBF-LLVKDONJSA-N -1 1 287.319 1.878 20 0 CDADMM CC(C)OCCS(=O)(=O)[N-]c1cccc(O)c1F ZINC000127892992 279547053 /nfs/dbraw/zinc/54/70/53/279547053.db2.gz NUPFVMCDHJRDNW-UHFFFAOYSA-N -1 1 277.317 1.698 20 0 CDADMM CC[C@H](CCO)Nc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001590438681 1173408845 /nfs/dbraw/zinc/40/88/45/1173408845.db2.gz GIVXGYTZESGFHK-SECBINFHSA-N -1 1 262.317 1.143 20 0 CDADMM CC[C@H](CCO)Nc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001590438681 1173408856 /nfs/dbraw/zinc/40/88/56/1173408856.db2.gz GIVXGYTZESGFHK-SECBINFHSA-N -1 1 262.317 1.143 20 0 CDADMM C[C@H]1OCC[C@@]1(C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436998401 280061157 /nfs/dbraw/zinc/06/11/57/280061157.db2.gz BUPVBAJHGPCCSE-YMTOWFKASA-N -1 1 263.293 1.259 20 0 CDADMM CC(C)(CCO)CNC(=O)c1cc(F)ccc1[O-] ZINC000227614734 280106011 /nfs/dbraw/zinc/10/60/11/280106011.db2.gz ANNVKCOITCKLCC-UHFFFAOYSA-N -1 1 255.289 1.670 20 0 CDADMM Cn1ccc(CCNC(=O)c2ccc(Cl)cc2[O-])n1 ZINC000230884359 280118599 /nfs/dbraw/zinc/11/85/99/280118599.db2.gz DIZIFTOQAKOKSA-UHFFFAOYSA-N -1 1 279.727 1.752 20 0 CDADMM CC[C@H]1CN(C(=O)c2ncc(C)cc2[O-])CCCO1 ZINC000332256086 281155609 /nfs/dbraw/zinc/15/56/09/281155609.db2.gz ZJKUCPVBHCHDQZ-NSHDSACASA-N -1 1 264.325 1.737 20 0 CDADMM Cc1cccc2cc(C(=O)Nc3nnn[n-]3)sc21 ZINC000347805650 281315449 /nfs/dbraw/zinc/31/54/49/281315449.db2.gz PVGULWRPFLTOBR-UHFFFAOYSA-N -1 1 259.294 1.975 20 0 CDADMM Cc1cccc2cc(C(=O)Nc3nn[n-]n3)sc21 ZINC000347805650 281315452 /nfs/dbraw/zinc/31/54/52/281315452.db2.gz PVGULWRPFLTOBR-UHFFFAOYSA-N -1 1 259.294 1.975 20 0 CDADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CCc2nncn2C1 ZINC000530006398 281414481 /nfs/dbraw/zinc/41/44/81/281414481.db2.gz RMVUSYLIUZNXDA-MRVPVSSYSA-N -1 1 276.271 1.324 20 0 CDADMM CC[C@H](SC)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590482044 1173430538 /nfs/dbraw/zinc/43/05/38/1173430538.db2.gz NTIPOPWKSZEWNJ-ZETCQYMHSA-N -1 1 298.397 1.081 20 0 CDADMM CC[C@H](SC)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590482044 1173430541 /nfs/dbraw/zinc/43/05/41/1173430541.db2.gz NTIPOPWKSZEWNJ-ZETCQYMHSA-N -1 1 298.397 1.081 20 0 CDADMM C[C@@]1(C[N-]S(=O)(=O)c2cc(F)ccc2F)CCCO1 ZINC000156143603 289258580 /nfs/dbraw/zinc/25/85/80/289258580.db2.gz CANAGVHTXWFMJX-LBPRGKRZSA-N -1 1 291.319 1.812 20 0 CDADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cnc[nH]1)OCO2 ZINC000551174014 290001109 /nfs/dbraw/zinc/00/11/09/290001109.db2.gz CXTZOKYEBPAVER-UHFFFAOYSA-N -1 1 281.293 1.248 20 0 CDADMM O=C(NC1(c2nn[n-]n2)CC1)c1cc2cccnc2s1 ZINC000556265445 290261576 /nfs/dbraw/zinc/26/15/76/290261576.db2.gz GHQYOSSVPKZPIX-UHFFFAOYSA-N -1 1 286.320 1.229 20 0 CDADMM Cc1nc(C(C)C)oc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000562852198 293211749 /nfs/dbraw/zinc/21/17/49/293211749.db2.gz LGPVCFIZWVUSRR-UHFFFAOYSA-N -1 1 276.300 1.039 20 0 CDADMM CO[N-]C(=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccncc1 ZINC000284586654 293375928 /nfs/dbraw/zinc/37/59/28/293375928.db2.gz PQGALYOUWCQDFB-GXTWGEPZSA-N -1 1 289.335 1.201 20 0 CDADMM CC[C@H]1CN(C)CCN1C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000568477858 294041672 /nfs/dbraw/zinc/04/16/72/294041672.db2.gz BZDWQTZTTXJKNL-LBPRGKRZSA-N -1 1 289.383 1.334 20 0 CDADMM Cc1o[n-]c(=N)c1S(=O)(=O)NC[C@H]1CCCC[C@H]1C ZINC000568933291 294124855 /nfs/dbraw/zinc/12/48/55/294124855.db2.gz IRDKZTMLKZGQLF-PSASIEDQSA-N -1 1 287.385 1.500 20 0 CDADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1C ZINC000568933291 294124856 /nfs/dbraw/zinc/12/48/56/294124856.db2.gz IRDKZTMLKZGQLF-PSASIEDQSA-N -1 1 287.385 1.500 20 0 CDADMM CCC[C@H](NC(=O)c1ccc2ccncc2n1)c1nn[n-]n1 ZINC000568976680 294132169 /nfs/dbraw/zinc/13/21/69/294132169.db2.gz BZQQKNODHZFVIY-JTQLQIEISA-N -1 1 297.322 1.414 20 0 CDADMM CC(C)(C)c1nnc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)[nH]1 ZINC000570808348 294312915 /nfs/dbraw/zinc/31/29/15/294312915.db2.gz MZIOVOIYBBNOTO-SNVBAGLBSA-N -1 1 292.383 1.789 20 0 CDADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1ncc[nH]1 ZINC000571092575 294368153 /nfs/dbraw/zinc/36/81/53/294368153.db2.gz SAZCCGHQKSAQIB-ZCFIWIBFSA-N -1 1 267.235 1.885 20 0 CDADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CCc2nncn2C1 ZINC000572946363 294720867 /nfs/dbraw/zinc/72/08/67/294720867.db2.gz QOOFEFBMYZEVJL-QMMMGPOBSA-N -1 1 276.271 1.324 20 0 CDADMM CCN(C[C@H](C)OC)c1ccnc(-c2nnn[n-]2)c1 ZINC001590681618 1173486593 /nfs/dbraw/zinc/48/65/93/1173486593.db2.gz XIRLWLJKALXNDA-VIFPVBQESA-N -1 1 262.317 1.123 20 0 CDADMM CCN(C[C@H](C)OC)c1ccnc(-c2nn[n-]n2)c1 ZINC001590681618 1173486596 /nfs/dbraw/zinc/48/65/96/1173486596.db2.gz 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/nfs/dbraw/zinc/67/86/20/1173678620.db2.gz WRXHGILBHJGHMI-UHFFFAOYSA-N -1 1 290.308 1.306 20 0 CDADMM CSCCn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2 ZINC001591700590 1173689971 /nfs/dbraw/zinc/68/99/71/1173689971.db2.gz SKDLARYWNANXTK-UHFFFAOYSA-N -1 1 291.380 1.270 20 0 CDADMM C[C@H](O)CNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)n1 ZINC001591770815 1173700477 /nfs/dbraw/zinc/70/04/77/1173700477.db2.gz ZMIROBDTLMCKDQ-YFKPBYRVSA-N -1 1 288.233 1.073 20 0 CDADMM CN1CC[C@@H](c2nc(-c3ccc([O-])cc3F)no2)CC1=O ZINC000350843880 316212026 /nfs/dbraw/zinc/21/20/26/316212026.db2.gz VBZKMJOOVGTVBR-MRVPVSSYSA-N -1 1 291.282 1.917 20 0 CDADMM O=C([O-])c1coc(=NCC[C@@H]2COc3ccccc3O2)[nH]1 ZINC000563624854 316345570 /nfs/dbraw/zinc/34/55/70/316345570.db2.gz OJYVEMLBEVFTLQ-SECBINFHSA-N -1 1 290.275 1.437 20 0 CDADMM CCCc1nc(C)c(CNc2nc3[nH][n-]cc-3c(=O)n2)o1 ZINC000563803154 316371743 /nfs/dbraw/zinc/37/17/43/316371743.db2.gz LKBUCBGJZLWRLC-UHFFFAOYSA-N -1 1 288.311 1.293 20 0 CDADMM COCCN(CC(=O)[O-])C[C@@H](O)[C@H](C)c1ccccc1 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COc1nn(C)cc1NC(=O)c1c(F)ccc([O-])c1F ZINC000583112063 325107995 /nfs/dbraw/zinc/10/79/95/325107995.db2.gz PXJWOBQJWRUXCK-UHFFFAOYSA-N -1 1 283.234 1.665 20 0 CDADMM Cc1nsc(NCCc2nccs2)c1-c1nn[n-]n1 ZINC001592491981 1173901776 /nfs/dbraw/zinc/90/17/76/1173901776.db2.gz ZWXRCULTMVYHLC-UHFFFAOYSA-N -1 1 293.381 1.743 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCOC(C)(C)C ZINC001592500776 1173907105 /nfs/dbraw/zinc/90/71/05/1173907105.db2.gz HYAXEKYSBBZEDJ-UHFFFAOYSA-N -1 1 293.327 1.313 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCOC(C)(C)C ZINC001592500776 1173907111 /nfs/dbraw/zinc/90/71/11/1173907111.db2.gz HYAXEKYSBBZEDJ-UHFFFAOYSA-N -1 1 293.327 1.313 20 0 CDADMM COC[C@H](C)CC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000674841399 482406958 /nfs/dbraw/zinc/40/69/58/482406958.db2.gz BCSXOZWADPSFFT-ZWNOBZJWSA-N -1 1 289.339 1.078 20 0 CDADMM O=C(Nc1nnn[n-]1)c1cccc(N2CCCC2)c1 ZINC000668866942 482414516 /nfs/dbraw/zinc/41/45/16/482414516.db2.gz IWBXJGMGTKBGMN-UHFFFAOYSA-N -1 1 258.285 1.052 20 0 CDADMM O=C(Nc1nn[n-]n1)c1cccc(N2CCCC2)c1 ZINC000668866942 482414517 /nfs/dbraw/zinc/41/45/17/482414517.db2.gz IWBXJGMGTKBGMN-UHFFFAOYSA-N -1 1 258.285 1.052 20 0 CDADMM CC(C)n1c2cc(C(=O)Nc3nnn[n-]3)ccc2[nH]c1=O ZINC000668867328 482415019 /nfs/dbraw/zinc/41/50/19/482415019.db2.gz OLCHDQJDJQIEJY-UHFFFAOYSA-N -1 1 287.283 1.088 20 0 CDADMM CC(C)n1c2cc(C(=O)Nc3nn[n-]n3)ccc2[nH]c1=O ZINC000668867328 482415022 /nfs/dbraw/zinc/41/50/22/482415022.db2.gz OLCHDQJDJQIEJY-UHFFFAOYSA-N -1 1 287.283 1.088 20 0 CDADMM CO[C@@H]1COC[C@@H]1[N-]c1nc(-c2ccccc2)no1 ZINC000665740601 482417798 /nfs/dbraw/zinc/41/77/98/482417798.db2.gz SQQUWHFSVKXJPZ-WDEREUQCSA-N -1 1 261.281 1.562 20 0 CDADMM O=c1nc(NC[C@@H]2CCC[C@H]2C2CC2)nc2[nH][n-]cc1-2 ZINC000665743434 482430124 /nfs/dbraw/zinc/43/01/24/482430124.db2.gz DNGNYUWKKLRHCC-UWVGGRQHSA-N -1 1 273.340 1.670 20 0 CDADMM O=C(C(=O)N1CC(Oc2ccccc2)C1)c1ccc([O-])cc1 ZINC000672849916 482623681 /nfs/dbraw/zinc/62/36/81/482623681.db2.gz VHHKBXXILPASGR-UHFFFAOYSA-N -1 1 297.310 1.865 20 0 CDADMM O=C(C(=O)N1CCC[C@@H](n2ccnc2)C1)c1ccc([O-])cc1 ZINC000672854749 482624791 /nfs/dbraw/zinc/62/47/91/482624791.db2.gz TVIUJFPMLADDMC-CYBMUJFWSA-N -1 1 299.330 1.635 20 0 CDADMM Cn1ccnc1[C@H]1CCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681059355 482678510 /nfs/dbraw/zinc/67/85/10/482678510.db2.gz OEIAMOZCSDBYAV-NSHDSACASA-N -1 1 289.310 1.895 20 0 CDADMM CCc1nc2sccc2c(NCc2nn[n-]n2)n1 ZINC000677506338 482696429 /nfs/dbraw/zinc/69/64/29/482696429.db2.gz QGCGRZNIBFIBNU-UHFFFAOYSA-N -1 1 261.314 1.379 20 0 CDADMM C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000672998521 482727008 /nfs/dbraw/zinc/72/70/08/482727008.db2.gz YVKUCWPGWVSYKP-WDEREUQCSA-N -1 1 277.320 1.506 20 0 CDADMM Cc1ccnc(CN2CCSC[C@H]2CC(=O)[O-])c1 ZINC000257644682 482742913 /nfs/dbraw/zinc/74/29/13/482742913.db2.gz CVFNEOFQZPRCNL-GFCCVEGCSA-N -1 1 266.366 1.782 20 0 CDADMM CCCN1CC[C@H](N=c2nc(C3CC3)[n-]s2)C1 ZINC000389253879 482813733 /nfs/dbraw/zinc/81/37/33/482813733.db2.gz BXCKEMYESKWXOB-JTQLQIEISA-N -1 1 252.387 1.734 20 0 CDADMM CCc1nc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)co1 ZINC000681515326 482878124 /nfs/dbraw/zinc/87/81/24/482878124.db2.gz YRKKKCSYNOUAKP-LBPRGKRZSA-N -1 1 298.306 1.270 20 0 CDADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CC[C@H]2CCC[C@H]21 ZINC000681708333 482969405 /nfs/dbraw/zinc/96/94/05/482969405.db2.gz FWIUDZZCCSGEGT-ZWNOBZJWSA-N -1 1 283.331 1.938 20 0 CDADMM CO[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CCO1 ZINC000683904472 483136886 /nfs/dbraw/zinc/13/68/86/483136886.db2.gz RQKJHVIDPRSTCJ-CQSZACIVSA-N -1 1 287.315 1.990 20 0 CDADMM Cc1n[nH]c(C(=O)NCc2cccc(C(=O)[O-])c2)c1C ZINC000678931898 483223198 /nfs/dbraw/zinc/22/31/98/483223198.db2.gz GISGFAWRCHZPEZ-UHFFFAOYSA-N -1 1 273.292 1.655 20 0 CDADMM C[C@@H](C[C@H]1CCOC1)NC(=O)c1cncc([O-])c1 ZINC000675415835 483300505 /nfs/dbraw/zinc/30/05/05/483300505.db2.gz KSRFTLGOUHNRLS-VHSXEESVSA-N -1 1 250.298 1.332 20 0 CDADMM CC(C)C[C@@H](CNC(=O)c1[nH]nc2c1CCCC2)C(=O)[O-] ZINC000676024959 483395103 /nfs/dbraw/zinc/39/51/03/483395103.db2.gz 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/nfs/dbraw/zinc/67/51/24/526675124.db2.gz NDWWIHDFQMYFQB-UHFFFAOYSA-N -1 1 287.348 1.785 20 0 CDADMM O=S(=O)([N-]CCSCCCO)c1sccc1F ZINC000338905314 527218657 /nfs/dbraw/zinc/21/86/57/527218657.db2.gz QOWLLRWKKJOMKW-UHFFFAOYSA-N -1 1 299.414 1.281 20 0 CDADMM CCC[C@@H](NC(=O)Cn1ccc2ccccc21)c1nn[n-]n1 ZINC000176764000 528977519 /nfs/dbraw/zinc/97/75/19/528977519.db2.gz PPBXTYLHZRSPRR-GFCCVEGCSA-N -1 1 298.350 1.812 20 0 CDADMM CCC[C@@H](NC(=O)c1cccc2c1OCO2)c1nn[n-]n1 ZINC000176756783 528993214 /nfs/dbraw/zinc/99/32/14/528993214.db2.gz KTRBCXLKCNIJFE-SECBINFHSA-N -1 1 289.295 1.200 20 0 CDADMM CCCc1nc(C)c(C(=O)Nc2nn[n-]n2)s1 ZINC000264054166 535497446 /nfs/dbraw/zinc/49/74/46/535497446.db2.gz YZOPVDFGTBLVGN-UHFFFAOYSA-N -1 1 252.303 1.169 20 0 CDADMM CCc1nn(C)cc1CNCc1cccc(C(=O)[O-])c1 ZINC000234141613 535826971 /nfs/dbraw/zinc/82/69/71/535826971.db2.gz DNJIVJCKZCZCND-UHFFFAOYSA-N -1 1 273.336 1.971 20 0 CDADMM Cc1nc(CC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)n[nH]1 ZINC001600670968 1174556702 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ZINC000737736315 574483289 /nfs/dbraw/zinc/48/32/89/574483289.db2.gz TZXDRRZMMQCPKZ-CYBMUJFWSA-N -1 1 289.335 1.803 20 0 CDADMM CCc1ccccc1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000726865636 574507928 /nfs/dbraw/zinc/50/79/28/574507928.db2.gz DYIJVMJFIQIHSX-UHFFFAOYSA-N -1 1 287.319 1.128 20 0 CDADMM O=C1OCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000728293090 574625996 /nfs/dbraw/zinc/62/59/96/574625996.db2.gz XYKMAXZQICIAEJ-ZETCQYMHSA-N -1 1 293.703 1.073 20 0 CDADMM COc1ccccc1C(C)(C)NCC(=O)NCCC(=O)[O-] ZINC000738121515 574701319 /nfs/dbraw/zinc/70/13/19/574701319.db2.gz QSWDJTADNJCZRO-UHFFFAOYSA-N -1 1 294.351 1.111 20 0 CDADMM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)[N-]OCC(N)=O ZINC000754287389 575011603 /nfs/dbraw/zinc/01/16/03/575011603.db2.gz XSCWZSWREDKWJI-WDEREUQCSA-N -1 1 276.336 1.509 20 0 CDADMM CC(=CC(=O)NCc1nn[n-]n1)c1ccc(F)cc1 ZINC000731886698 575069617 /nfs/dbraw/zinc/06/96/17/575069617.db2.gz CJEIHFJNJHGGKJ-SOFGYWHQSA-N -1 1 261.260 1.059 20 0 CDADMM CN(C(=O)CCn1cc[n-]c(=O)c1=O)C1CCCCCC1 ZINC000733128198 575101744 /nfs/dbraw/zinc/10/17/44/575101744.db2.gz KXPZZIQHOCLWKN-UHFFFAOYSA-N -1 1 293.367 1.108 20 0 CDADMM O=C([O-])[C@@H]1[C@@H](O)CCCN1CCOc1ccc(F)cc1 ZINC001601757458 1174992177 /nfs/dbraw/zinc/99/21/77/1174992177.db2.gz XGBKJLXVBIPAJT-STQMWFEESA-N -1 1 283.299 1.114 20 0 CDADMM O=C([O-])[C@H]1CC(=O)N(CN2CCC3(CCCC3)C2)C1 ZINC001601759431 1174993844 /nfs/dbraw/zinc/99/38/44/1174993844.db2.gz POZURRRFQMGEIK-NSHDSACASA-N -1 1 266.341 1.143 20 0 CDADMM CC(C)c1nc([C@@H](C)[N-]C(=O)C(F)(F)F)n[nH]1 ZINC000763200745 576720891 /nfs/dbraw/zinc/72/08/91/576720891.db2.gz XQBSFRXNEXBUEO-RXMQYKEDSA-N -1 1 250.224 1.668 20 0 CDADMM O=C(CC[C@@H]1CCCO1)OCCC[N-]C(=O)C(F)(F)F ZINC000774918988 575251571 /nfs/dbraw/zinc/25/15/71/575251571.db2.gz OHKCRXTYIZBLAP-VIFPVBQESA-N -1 1 297.273 1.557 20 0 CDADMM CCO[C@H]1C[C@H]1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774935281 575252898 /nfs/dbraw/zinc/25/28/98/575252898.db2.gz XWXDJYCQTLHHFI-SFYZADRCSA-N -1 1 283.246 1.023 20 0 CDADMM O=C(Cc1ccco1)OCCC[N-]C(=O)C(F)(F)F ZINC000774974524 575257770 /nfs/dbraw/zinc/25/77/70/575257770.db2.gz UNKUQYSBAZSQGI-UHFFFAOYSA-N -1 1 279.214 1.434 20 0 CDADMM CC(C)(C)[S@](=O)CCNc1cccc(-c2nnn[n-]2)n1 ZINC000735642463 575494917 /nfs/dbraw/zinc/49/49/17/575494917.db2.gz ATBFFXQYOMICHS-HXUWFJFHSA-N -1 1 294.384 1.221 20 0 CDADMM CC(C)(C)[S@](=O)CCNc1cccc(-c2nn[n-]n2)n1 ZINC000735642463 575494919 /nfs/dbraw/zinc/49/49/19/575494919.db2.gz ATBFFXQYOMICHS-HXUWFJFHSA-N -1 1 294.384 1.221 20 0 CDADMM CC(C)OC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000735894105 575531027 /nfs/dbraw/zinc/53/10/27/575531027.db2.gz FAOLIWSJDONGCI-UHFFFAOYSA-N -1 1 289.343 1.051 20 0 CDADMM CC(C)OC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000735894105 575531029 /nfs/dbraw/zinc/53/10/29/575531029.db2.gz FAOLIWSJDONGCI-UHFFFAOYSA-N -1 1 289.343 1.051 20 0 CDADMM COc1ccc(NC(=O)[C@H]2CCCN2CCC(=O)[O-])cc1 ZINC000771211178 575558357 /nfs/dbraw/zinc/55/83/57/575558357.db2.gz DFLALZMMCLQMCX-CYBMUJFWSA-N -1 1 292.335 1.573 20 0 CDADMM C[C@H]1C[C@@H]1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736237394 575599189 /nfs/dbraw/zinc/59/91/89/575599189.db2.gz OCGTZWZSTOYNRI-IONNQARKSA-N -1 1 259.269 1.075 20 0 CDADMM C[C@H]1C[C@@H]1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736237394 575599192 /nfs/dbraw/zinc/59/91/92/575599192.db2.gz OCGTZWZSTOYNRI-IONNQARKSA-N -1 1 259.269 1.075 20 0 CDADMM CC(C)C[C@H](C)N(C)C(=O)CNC(C)(C)C(=O)[O-] ZINC000736403747 575648827 /nfs/dbraw/zinc/64/88/27/575648827.db2.gz JMGHAULCZFOPAY-JTQLQIEISA-N -1 1 258.362 1.332 20 0 CDADMM CC/C=C/CCOC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736407715 575651480 /nfs/dbraw/zinc/65/14/80/575651480.db2.gz AWSMJIRSDGKXAG-ONEGZZNKSA-N -1 1 273.296 1.775 20 0 CDADMM CC/C=C/CCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736407715 575651483 /nfs/dbraw/zinc/65/14/83/575651483.db2.gz AWSMJIRSDGKXAG-ONEGZZNKSA-N -1 1 273.296 1.775 20 0 CDADMM CCOC(=O)C[C@@H](C)Sc1nccnc1-c1nn[n-]n1 ZINC000736595914 575700309 /nfs/dbraw/zinc/70/03/09/575700309.db2.gz YJSCMKLEOXHGTA-SSDOTTSWSA-N -1 1 294.340 1.091 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ZINC000833420858 604943721 /nfs/dbraw/zinc/94/37/21/604943721.db2.gz AQPAZTKUUPNRBK-JTQLQIEISA-N -1 1 295.339 1.436 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)n1 ZINC000833747102 604951920 /nfs/dbraw/zinc/95/19/20/604951920.db2.gz QRPVBMOJOOEIFZ-LLVKDONJSA-N -1 1 293.367 1.813 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)n1 ZINC000833747102 604951923 /nfs/dbraw/zinc/95/19/23/604951923.db2.gz QRPVBMOJOOEIFZ-LLVKDONJSA-N -1 1 293.367 1.813 20 0 CDADMM CC1(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])CCCCC1 ZINC000833564642 605079778 /nfs/dbraw/zinc/07/97/78/605079778.db2.gz OHCDLZVTKKABSU-LBPRGKRZSA-N -1 1 293.367 1.882 20 0 CDADMM C[C@@H]1CN(C)C[C@H](C)N1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000833622582 605091601 /nfs/dbraw/zinc/09/16/01/605091601.db2.gz IFIHQSCXYNVSJJ-MPEURRAXSA-N -1 1 282.384 1.428 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C1=CCCC1 ZINC000833618964 605168425 /nfs/dbraw/zinc/16/84/25/605168425.db2.gz HNHWZHVVAJEDEP-LLVKDONJSA-N -1 1 266.341 1.104 20 0 CDADMM CC(C)C[C@@H]1CCN(CN2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000833484586 605175333 /nfs/dbraw/zinc/17/53/33/605175333.db2.gz XDJRDEFYSFDIOK-NWDGAFQWSA-N -1 1 268.357 1.245 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000833626335 605208605 /nfs/dbraw/zinc/20/86/05/605208605.db2.gz ZVQMDKWJEZXPAM-NMKXLXIOSA-N -1 1 280.368 1.040 20 0 CDADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCOC(C)(C)[C@@H]2C)O1 ZINC000833577645 605354990 /nfs/dbraw/zinc/35/49/90/605354990.db2.gz FABGXIGNLZEFTP-QWRGUYRKSA-N -1 1 269.341 1.633 20 0 CDADMM Cc1cc(C[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[O-])n[nH]1 ZINC000830029550 605434495 /nfs/dbraw/zinc/43/44/95/605434495.db2.gz HVKQCWPIKXCFIR-BXKDBHETSA-N -1 1 296.371 1.448 20 0 CDADMM COCc1nc(CN2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])no1 ZINC000833726660 605676352 /nfs/dbraw/zinc/67/63/52/605676352.db2.gz UFXRTAAKXLXOPJ-MXWKQRLJSA-N -1 1 295.339 1.434 20 0 CDADMM CC(C)C[C@H](NC(=O)CN[C@@H](C)c1cccnc1)C(=O)[O-] ZINC000833482390 605795759 /nfs/dbraw/zinc/79/57/59/605795759.db2.gz PRVMWDYQVRYVLU-AAEUAGOBSA-N -1 1 293.367 1.348 20 0 CDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)C=Cc2ccccc2)n1 ZINC000822604762 606155285 /nfs/dbraw/zinc/15/52/85/606155285.db2.gz JYLFHQWECCSTKC-BQYQJAHWSA-N -1 1 295.306 1.252 20 0 CDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)C=Cc2ccccc2)n1 ZINC000822604762 606155286 /nfs/dbraw/zinc/15/52/86/606155286.db2.gz JYLFHQWECCSTKC-BQYQJAHWSA-N -1 1 295.306 1.252 20 0 CDADMM O=Cc1c[nH]nc1C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823551659 606391646 /nfs/dbraw/zinc/39/16/46/606391646.db2.gz YTKAFEXAXLEMHF-IWQZZHSRSA-N -1 1 272.293 1.634 20 0 CDADMM FC(F)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822733289 606420786 /nfs/dbraw/zinc/42/07/86/606420786.db2.gz XBIQPCUBYCPJQY-UHFFFAOYSA-N -1 1 260.635 1.592 20 0 CDADMM FC(F)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822733289 606420787 /nfs/dbraw/zinc/42/07/87/606420787.db2.gz XBIQPCUBYCPJQY-UHFFFAOYSA-N -1 1 260.635 1.592 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCSCC1 ZINC000823484416 606527107 /nfs/dbraw/zinc/52/71/07/606527107.db2.gz XLKLKCJUNKMQHP-UHFFFAOYSA-N -1 1 281.366 1.117 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCSCC1 ZINC000823484416 606527109 /nfs/dbraw/zinc/52/71/09/606527109.db2.gz XLKLKCJUNKMQHP-UHFFFAOYSA-N -1 1 281.366 1.117 20 0 CDADMM CSCC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821962527 606568240 /nfs/dbraw/zinc/56/82/40/606568240.db2.gz RRNCEKZLLRWVBB-SSDOTTSWSA-N -1 1 297.409 1.800 20 0 CDADMM CSCC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821962527 606568242 /nfs/dbraw/zinc/56/82/42/606568242.db2.gz RRNCEKZLLRWVBB-SSDOTTSWSA-N -1 1 297.409 1.800 20 0 CDADMM Cc1cccc(C)c1OCCn1ccnc1-c1nnn[n-]1 ZINC000822299303 606654976 /nfs/dbraw/zinc/65/49/76/606654976.db2.gz FAPZTJRJALNPNF-UHFFFAOYSA-N -1 1 284.323 1.759 20 0 CDADMM Cc1cccc(C)c1OCCn1ccnc1-c1nn[n-]n1 ZINC000822299303 606654977 /nfs/dbraw/zinc/65/49/77/606654977.db2.gz FAPZTJRJALNPNF-UHFFFAOYSA-N -1 1 284.323 1.759 20 0 CDADMM c1cn(Cc2ccc3c(c2)CCC3)c(-c2nnn[n-]2)n1 ZINC000823810314 606655453 /nfs/dbraw/zinc/65/54/53/606655453.db2.gz VLTWFNLBMRQSGL-UHFFFAOYSA-N -1 1 266.308 1.600 20 0 CDADMM c1cn(Cc2ccc3c(c2)CCC3)c(-c2nn[n-]n2)n1 ZINC000823810314 606655454 /nfs/dbraw/zinc/65/54/54/606655454.db2.gz VLTWFNLBMRQSGL-UHFFFAOYSA-N -1 1 266.308 1.600 20 0 CDADMM O=C(N[C@@H]1CCC(F)(F)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823144948 606940951 /nfs/dbraw/zinc/94/09/51/606940951.db2.gz NBJIDUNQUNLRLH-ZCFIWIBFSA-N -1 1 299.306 1.846 20 0 CDADMM O=C(N[C@@H]1CCC(F)(F)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823144948 606940952 /nfs/dbraw/zinc/94/09/52/606940952.db2.gz NBJIDUNQUNLRLH-ZCFIWIBFSA-N -1 1 299.306 1.846 20 0 CDADMM O=C(COC1CCCC1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823027637 607023952 /nfs/dbraw/zinc/02/39/52/607023952.db2.gz ZBPATRVQTYYBIW-UHFFFAOYSA-N -1 1 294.340 1.221 20 0 CDADMM O=C(COC1CCCC1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823027637 607023954 /nfs/dbraw/zinc/02/39/54/607023954.db2.gz ZBPATRVQTYYBIW-UHFFFAOYSA-N -1 1 294.340 1.221 20 0 CDADMM CCCCO[C@H](C)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821071758 607106426 /nfs/dbraw/zinc/10/64/26/607106426.db2.gz LTBRAMUBFOHMFO-SSDOTTSWSA-N -1 1 296.356 1.467 20 0 CDADMM CCCCO[C@H](C)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821071758 607106428 /nfs/dbraw/zinc/10/64/28/607106428.db2.gz LTBRAMUBFOHMFO-SSDOTTSWSA-N -1 1 296.356 1.467 20 0 CDADMM Cc1cccc([C@H](O)CNc2nccnc2-c2nnn[n-]2)c1 ZINC000822288896 607127681 /nfs/dbraw/zinc/12/76/81/607127681.db2.gz MJYAKQGNSTXPNJ-LLVKDONJSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1cccc([C@H](O)CNc2nccnc2-c2nn[n-]n2)c1 ZINC000822288896 607127682 /nfs/dbraw/zinc/12/76/82/607127682.db2.gz MJYAKQGNSTXPNJ-LLVKDONJSA-N -1 1 297.322 1.111 20 0 CDADMM COc1ccc(Cn2cnc(-c3nn[n-]n3)n2)cc1Cl ZINC000826208593 607813496 /nfs/dbraw/zinc/81/34/96/607813496.db2.gz RBYMECDXNUJYDO-UHFFFAOYSA-N -1 1 291.702 1.169 20 0 CDADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC000095222116 607895969 /nfs/dbraw/zinc/89/59/69/607895969.db2.gz WYTWFVCJUDKVGD-WCBMZHEXSA-N -1 1 260.301 1.241 20 0 CDADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC000095222116 607895970 /nfs/dbraw/zinc/89/59/70/607895970.db2.gz WYTWFVCJUDKVGD-WCBMZHEXSA-N -1 1 260.301 1.241 20 0 CDADMM c1cncc([C@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)c1 ZINC000826525769 607969548 /nfs/dbraw/zinc/96/95/48/607969548.db2.gz YIZCLQFAVQFMFR-LLVKDONJSA-N -1 1 294.322 1.615 20 0 CDADMM c1cncc([C@H](Nc2nccnc2-c2nn[n-]n2)C2CC2)c1 ZINC000826525769 607969549 /nfs/dbraw/zinc/96/95/49/607969549.db2.gz YIZCLQFAVQFMFR-LLVKDONJSA-N -1 1 294.322 1.615 20 0 CDADMM O=C(Cn1ccnc1-c1nnn[n-]1)c1ccc2c(c1)CCC2 ZINC000826424861 608013725 /nfs/dbraw/zinc/01/37/25/608013725.db2.gz GWGRRANPJFIZJK-UHFFFAOYSA-N -1 1 294.318 1.435 20 0 CDADMM O=C(Cn1ccnc1-c1nn[n-]n1)c1ccc2c(c1)CCC2 ZINC000826424861 608013726 /nfs/dbraw/zinc/01/37/26/608013726.db2.gz GWGRRANPJFIZJK-UHFFFAOYSA-N -1 1 294.318 1.435 20 0 CDADMM c1ccc2c(c1)C[C@H](CNc1ccc(-c3nnn[n-]3)nn1)O2 ZINC000826523694 608397875 /nfs/dbraw/zinc/39/78/75/608397875.db2.gz UIFYBMZHTBXAAO-SNVBAGLBSA-N -1 1 295.306 1.072 20 0 CDADMM c1ccc2c(c1)C[C@H](CNc1ccc(-c3nn[n-]n3)nn1)O2 ZINC000826523694 608397877 /nfs/dbraw/zinc/39/78/77/608397877.db2.gz UIFYBMZHTBXAAO-SNVBAGLBSA-N -1 1 295.306 1.072 20 0 CDADMM C[C@@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC000824919854 608417230 /nfs/dbraw/zinc/41/72/30/608417230.db2.gz ZVTBUZZWSIFXSF-KXUCPTDWSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC000824919854 608417233 /nfs/dbraw/zinc/41/72/33/608417233.db2.gz ZVTBUZZWSIFXSF-KXUCPTDWSA-N -1 1 273.344 1.893 20 0 CDADMM CC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCOCC1 ZINC000825148056 608428129 /nfs/dbraw/zinc/42/81/29/608428129.db2.gz NMTVNGYMFRRQCO-SNVBAGLBSA-N -1 1 289.343 1.274 20 0 CDADMM CC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCOCC1 ZINC000825148056 608428130 /nfs/dbraw/zinc/42/81/30/608428130.db2.gz NMTVNGYMFRRQCO-SNVBAGLBSA-N -1 1 289.343 1.274 20 0 CDADMM FC1(F)CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826370131 608434539 /nfs/dbraw/zinc/43/45/39/608434539.db2.gz FILMGXRGRQDHOB-SSDOTTSWSA-N -1 1 281.270 1.647 20 0 CDADMM FC1(F)CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826370131 608434541 /nfs/dbraw/zinc/43/45/41/608434541.db2.gz FILMGXRGRQDHOB-SSDOTTSWSA-N -1 1 281.270 1.647 20 0 CDADMM c1csc(CCCNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826526408 608797452 /nfs/dbraw/zinc/79/74/52/608797452.db2.gz XRUFQAGOGQBFRL-UHFFFAOYSA-N -1 1 287.352 1.763 20 0 CDADMM c1csc(CCCNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826526408 608797457 /nfs/dbraw/zinc/79/74/57/608797457.db2.gz XRUFQAGOGQBFRL-UHFFFAOYSA-N -1 1 287.352 1.763 20 0 CDADMM C[C@@H]1CCCC[C@@H]1OCCn1ccnc1-c1nnn[n-]1 ZINC000824936079 608893641 /nfs/dbraw/zinc/89/36/41/608893641.db2.gz DRVXSYKMHDYBPE-MNOVXSKESA-N -1 1 276.344 1.659 20 0 CDADMM C[C@@H]1CCCC[C@@H]1OCCn1ccnc1-c1nn[n-]n1 ZINC000824936079 608893642 /nfs/dbraw/zinc/89/36/42/608893642.db2.gz DRVXSYKMHDYBPE-MNOVXSKESA-N -1 1 276.344 1.659 20 0 CDADMM c1cc(NCC[C@H]2CCOC2)nc(-c2nnn[n-]2)c1 ZINC000826516887 609604478 /nfs/dbraw/zinc/60/44/78/609604478.db2.gz GPEBOVUDXFAZRM-VIFPVBQESA-N -1 1 260.301 1.100 20 0 CDADMM c1cc(NCC[C@H]2CCOC2)nc(-c2nn[n-]n2)c1 ZINC000826516887 609604480 /nfs/dbraw/zinc/60/44/80/609604480.db2.gz GPEBOVUDXFAZRM-VIFPVBQESA-N -1 1 260.301 1.100 20 0 CDADMM COCc1nc(N(C)Cc2ccccc2OC)cc(=O)[n-]1 ZINC000891468608 617425879 /nfs/dbraw/zinc/42/58/79/617425879.db2.gz BTTMPHFWWGPGIO-UHFFFAOYSA-N -1 1 289.335 1.974 20 0 CDADMM CC(C)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC000948619050 613935261 /nfs/dbraw/zinc/93/52/61/613935261.db2.gz RPUYVSAAKOHBDE-GHMZBOCLSA-N -1 1 291.351 1.020 20 0 CDADMM COCc1nc(N[C@@H]2CCO[C@@H](C3CC3)C2)cc(=O)[n-]1 ZINC000893194296 617455949 /nfs/dbraw/zinc/45/59/49/617455949.db2.gz FRDSPVFGCFBESV-GHMZBOCLSA-N -1 1 279.340 1.698 20 0 CDADMM C[C@H](C(=O)[N-]OC[C@@H]1CCOC1)c1cccc(O)c1 ZINC000935593665 617460221 /nfs/dbraw/zinc/46/02/21/617460221.db2.gz KWFKKLFNPLECNQ-WDEREUQCSA-N -1 1 265.309 1.580 20 0 CDADMM COCc1nc(NC[C@@H]2CCC(C)(C)O2)cc(=O)[n-]1 ZINC000893277771 617512164 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/nfs/dbraw/zinc/22/80/88/1163228088.db2.gz JLDRODVGQPAPQQ-SECBINFHSA-N -1 1 291.359 1.038 20 0 CDADMM C[C@H]1CN(C(=O)C=C2CCCCC2)CCN1CCC(=O)[O-] ZINC001604771836 1163318310 /nfs/dbraw/zinc/31/83/10/1163318310.db2.gz SZXGJXXKKJDITI-ZDUSSCGKSA-N -1 1 294.395 1.884 20 0 CDADMM CCC(CC)(CC(=O)[O-])NC(=O)[C@H](N)Cc1ccccn1 ZINC001604991921 1163406657 /nfs/dbraw/zinc/40/66/57/1163406657.db2.gz TWKWQJZQVVURGC-GFCCVEGCSA-N -1 1 293.367 1.101 20 0 CDADMM CO[C@@H]1CCCN(c2ccc(C)c(-c3nnn[n-]3)n2)CC1 ZINC001605031483 1163425262 /nfs/dbraw/zinc/42/52/62/1163425262.db2.gz VXIPUJNCLCCLEC-LLVKDONJSA-N -1 1 288.355 1.575 20 0 CDADMM CO[C@@H]1CCCN(c2ccc(C)c(-c3nn[n-]n3)n2)CC1 ZINC001605031483 1163425266 /nfs/dbraw/zinc/42/52/66/1163425266.db2.gz VXIPUJNCLCCLEC-LLVKDONJSA-N -1 1 288.355 1.575 20 0 CDADMM COc1ccc(NCc2csc(-c3nn[n-]n3)c2)nc1 ZINC001605300991 1163517760 /nfs/dbraw/zinc/51/77/60/1163517760.db2.gz BDFAGEXBRXTLOV-UHFFFAOYSA-N -1 1 288.336 1.944 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H]3CCC[C@H]32)n1 ZINC001605560579 1163609736 /nfs/dbraw/zinc/60/97/36/1163609736.db2.gz BQZCHAWJWKARPI-ZYHUDNBSSA-N -1 1 285.355 1.734 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H]3CCC[C@H]32)n1 ZINC001605560579 1163609740 /nfs/dbraw/zinc/60/97/40/1163609740.db2.gz BQZCHAWJWKARPI-ZYHUDNBSSA-N -1 1 285.355 1.734 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCc3ccccc3C2)n1 ZINC001605565910 1163611249 /nfs/dbraw/zinc/61/12/49/1163611249.db2.gz OLXAWMAPCQRCOQ-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCc3ccccc3C2)n1 ZINC001605565910 1163611252 /nfs/dbraw/zinc/61/12/52/1163611252.db2.gz OLXAWMAPCQRCOQ-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM Cc1cc(NCC(C)(C)CO)cc(-c2nnn[n-]2)n1 ZINC001605724377 1163651232 /nfs/dbraw/zinc/65/12/32/1163651232.db2.gz VPOHJNOMRPFSFX-UHFFFAOYSA-N -1 1 262.317 1.001 20 0 CDADMM Cc1cc(NCC(C)(C)CO)cc(-c2nn[n-]n2)n1 ZINC001605724377 1163651236 /nfs/dbraw/zinc/65/12/36/1163651236.db2.gz VPOHJNOMRPFSFX-UHFFFAOYSA-N -1 1 262.317 1.001 20 0 CDADMM CCc1ccc(CNC(=O)CN[C@](C)(CC)C(=O)[O-])s1 ZINC001605813187 1163679035 /nfs/dbraw/zinc/67/90/35/1163679035.db2.gz VUNHURBXAHTFCG-CQSZACIVSA-N -1 1 298.408 1.770 20 0 CDADMM Cc1ccc(CN(C)c2cnc(-c3nnn[n-]3)cn2)cc1C ZINC001605846264 1163687027 /nfs/dbraw/zinc/68/70/27/1163687027.db2.gz GNOYRBJYIOVIGO-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccc(CN(C)c2cnc(-c3nn[n-]n3)cn2)cc1C ZINC001605846264 1163687032 /nfs/dbraw/zinc/68/70/32/1163687032.db2.gz GNOYRBJYIOVIGO-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)o2)nc1 ZINC001605854239 1163690852 /nfs/dbraw/zinc/69/08/52/1163690852.db2.gz JTXREDOTGLDSIZ-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)nc1 ZINC001605854239 1163690855 /nfs/dbraw/zinc/69/08/55/1163690855.db2.gz JTXREDOTGLDSIZ-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1[nH]nc(NC(=O)c2cc(C)ccc2O)c1-c1nn[n-]n1 ZINC001605875717 1163701955 /nfs/dbraw/zinc/70/19/55/1163701955.db2.gz LAQOOXODBLZERY-UHFFFAOYSA-N -1 1 299.294 1.165 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(CC(=O)C(C)(C)C)c1C ZINC001606021223 1163748715 /nfs/dbraw/zinc/74/87/15/1163748715.db2.gz NJQGITIQNQTUIF-UHFFFAOYSA-N -1 1 262.317 1.295 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(CC(=O)C(C)(C)C)c1C ZINC001606021223 1163748723 /nfs/dbraw/zinc/74/87/23/1163748723.db2.gz NJQGITIQNQTUIF-UHFFFAOYSA-N -1 1 262.317 1.295 20 0 CDADMM Cc1nc(C)c(CNc2nc(-c3nn[n-]n3)ccc2C)o1 ZINC001606039198 1163755498 /nfs/dbraw/zinc/75/54/98/1163755498.db2.gz XCPYXKLEAGEORK-UHFFFAOYSA-N -1 1 285.311 1.787 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1[C@@H](C)C[C@@H]1C ZINC001606166108 1163794184 /nfs/dbraw/zinc/79/41/84/1163794184.db2.gz NXTKATZTVDHUNP-BQBZGAKWSA-N -1 1 261.285 1.391 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1[C@@H](C)C[C@@H]1C ZINC001606166108 1163794192 /nfs/dbraw/zinc/79/41/92/1163794192.db2.gz NXTKATZTVDHUNP-BQBZGAKWSA-N -1 1 261.285 1.391 20 0 CDADMM FC1(F)CN(Cc2ccc(-c3nnn[n-]3)o2)CC1(F)F ZINC001606300923 1163845971 /nfs/dbraw/zinc/84/59/71/1163845971.db2.gz YZJPPJSNFPWNBG-UHFFFAOYSA-N -1 1 291.208 1.546 20 0 CDADMM FC1(F)CN(Cc2ccc(-c3nn[n-]n3)o2)CC1(F)F ZINC001606300923 1163845976 /nfs/dbraw/zinc/84/59/76/1163845976.db2.gz YZJPPJSNFPWNBG-UHFFFAOYSA-N -1 1 291.208 1.546 20 0 CDADMM F[C@@]1(c2ccccc2)C[C@@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001606300343 1163846133 /nfs/dbraw/zinc/84/61/33/1163846133.db2.gz UHRPROKEOLSOBX-SMDDNHRTSA-N -1 1 297.297 1.706 20 0 CDADMM F[C@@]1(c2ccccc2)C[C@@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001606300343 1163846136 /nfs/dbraw/zinc/84/61/36/1163846136.db2.gz UHRPROKEOLSOBX-SMDDNHRTSA-N -1 1 297.297 1.706 20 0 CDADMM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1CCC1CC1 ZINC001606373285 1163880957 /nfs/dbraw/zinc/88/09/57/1163880957.db2.gz JZHANSDDAUTIFJ-QWRGUYRKSA-N -1 1 255.314 1.125 20 0 CDADMM COC(=O)c1cnc(CN[C@@H](C(=O)[O-])C(C)(C)C)s1 ZINC001606624988 1163939354 /nfs/dbraw/zinc/93/93/54/1163939354.db2.gz SPMCHCSSFSHJCR-VIFPVBQESA-N -1 1 286.353 1.519 20 0 CDADMM CO[C@@H](C)c1noc(CN[C@H](CC(=O)[O-])C2CC2)n1 ZINC001606664768 1163952347 /nfs/dbraw/zinc/95/23/47/1163952347.db2.gz AHFFSZIDESJPAE-IONNQARKSA-N -1 1 269.301 1.120 20 0 CDADMM O=C(NCCc1ccccc1O)c1ccc(-c2nn[n-]n2)o1 ZINC001606797301 1163996265 /nfs/dbraw/zinc/99/62/65/1163996265.db2.gz UBPADNORIRQFNN-UHFFFAOYSA-N -1 1 299.290 1.138 20 0 CDADMM OC[C@H](CC1CCCC1)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001607100723 1164082320 /nfs/dbraw/zinc/08/23/20/1164082320.db2.gz ZYCNHAYGHCGPHH-JTQLQIEISA-N -1 1 289.343 1.010 20 0 CDADMM OC[C@H](CC1CCCC1)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001607100723 1164082325 /nfs/dbraw/zinc/08/23/25/1164082325.db2.gz ZYCNHAYGHCGPHH-JTQLQIEISA-N -1 1 289.343 1.010 20 0 CDADMM c1cc(-c2nc(C3CC3)no2)cc(-c2nn[n-]n2)n1 ZINC001607114809 1164092632 /nfs/dbraw/zinc/09/26/32/1164092632.db2.gz QRUAXEZFWWUYFW-UHFFFAOYSA-N -1 1 255.241 1.189 20 0 CDADMM c1cc(-c2nc(C3CC3)no2)cc(-c2nnn[n-]2)n1 ZINC001607114809 1164092623 /nfs/dbraw/zinc/09/26/23/1164092623.db2.gz QRUAXEZFWWUYFW-UHFFFAOYSA-N -1 1 255.241 1.189 20 0 CDADMM c1cc(-c2nc(CC3CC3)no2)cc(-c2nnn[n-]2)n1 ZINC001607112632 1164094347 /nfs/dbraw/zinc/09/43/47/1164094347.db2.gz BAMYRFDGKBHPBJ-UHFFFAOYSA-N -1 1 269.268 1.264 20 0 CDADMM c1cc(-c2nc(CC3CC3)no2)cc(-c2nn[n-]n2)n1 ZINC001607112632 1164094354 /nfs/dbraw/zinc/09/43/54/1164094354.db2.gz BAMYRFDGKBHPBJ-UHFFFAOYSA-N -1 1 269.268 1.264 20 0 CDADMM c1cc(-c2noc(-c3ccc(-c4nnn[n-]4)o3)n2)co1 ZINC001607117764 1164100094 /nfs/dbraw/zinc/10/00/94/1164100094.db2.gz VOUJWFFGNNCXHB-UHFFFAOYSA-N -1 1 270.208 1.770 20 0 CDADMM c1cc(-c2noc(-c3ccc(-c4nn[n-]n4)o3)n2)co1 ZINC001607117764 1164100097 /nfs/dbraw/zinc/10/00/97/1164100097.db2.gz VOUJWFFGNNCXHB-UHFFFAOYSA-N -1 1 270.208 1.770 20 0 CDADMM c1c(CNCc2cccc(-c3nn[n-]n3)n2)onc1C1CC1 ZINC001607119240 1164100361 /nfs/dbraw/zinc/10/03/61/1164100361.db2.gz VIWOUVGJGDVHLL-UHFFFAOYSA-N -1 1 297.322 1.417 20 0 CDADMM c1cc(N2CCO[C@H](C3CCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001607120263 1164104064 /nfs/dbraw/zinc/10/40/64/1164104064.db2.gz WZOFAUOGEVCFLV-ZDUSSCGKSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(N2CCO[C@H](C3CCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001607120263 1164104072 /nfs/dbraw/zinc/10/40/72/1164104072.db2.gz WZOFAUOGEVCFLV-ZDUSSCGKSA-N -1 1 286.339 1.267 20 0 CDADMM c1cn(C2CC(OCc3ccccc3)C2)c(-c2nnn[n-]2)n1 ZINC001607128683 1164107287 /nfs/dbraw/zinc/10/72/87/1164107287.db2.gz DNEITDXDGFIVQP-UHFFFAOYSA-N -1 1 296.334 1.984 20 0 CDADMM c1cn(C2CC(OCc3ccccc3)C2)c(-c2nn[n-]n2)n1 ZINC001607128683 1164107293 /nfs/dbraw/zinc/10/72/93/1164107293.db2.gz DNEITDXDGFIVQP-UHFFFAOYSA-N -1 1 296.334 1.984 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1Cn1cnc(-c2ccccn2)n1 ZINC001607124975 1164107725 /nfs/dbraw/zinc/10/77/25/1164107725.db2.gz KCRAGJTXOHWUHI-UHFFFAOYSA-N -1 1 294.278 1.162 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1Cn1cnc(-c2ccccn2)n1 ZINC001607124975 1164107729 /nfs/dbraw/zinc/10/77/29/1164107729.db2.gz KCRAGJTXOHWUHI-UHFFFAOYSA-N -1 1 294.278 1.162 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@H]2CCOC3(CCC3)C2)c1 ZINC001607133367 1164113224 /nfs/dbraw/zinc/11/32/24/1164113224.db2.gz FEDQSDIMHGHPAN-JTQLQIEISA-N -1 1 286.339 1.775 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@H]2CCOC3(CCC3)C2)c1 ZINC001607133367 1164113226 /nfs/dbraw/zinc/11/32/26/1164113226.db2.gz FEDQSDIMHGHPAN-JTQLQIEISA-N -1 1 286.339 1.775 20 0 CDADMM Cc1c(C(=O)[O-])cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)n1C ZINC001607511709 1164214485 /nfs/dbraw/zinc/21/44/85/1164214485.db2.gz MHPXTJPXCIKFQS-BXKDBHETSA-N -1 1 294.351 1.574 20 0 CDADMM Cc1cc([C@H](C)NCC(=O)NCCC(=O)[O-])c(C)s1 ZINC001607609812 1164240213 /nfs/dbraw/zinc/24/02/13/1164240213.db2.gz WXXRXDLIKYGJCK-VIFPVBQESA-N -1 1 284.381 1.606 20 0 CDADMM Cc1cc(CN2[C@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)ncn1 ZINC001607640164 1164250908 /nfs/dbraw/zinc/25/09/08/1164250908.db2.gz LPZQLBKWCFUBPD-VZZFWQQMSA-N -1 1 291.351 1.380 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@@H](OC(=O)CCCCc2cn[nH]n2)C1 ZINC001608303247 1164486683 /nfs/dbraw/zinc/48/66/83/1164486683.db2.gz WXYJKBYKALRNRV-ZYHUDNBSSA-N -1 1 295.339 1.704 20 0 CDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)C1=CCCCC1 ZINC001608485701 1164525222 /nfs/dbraw/zinc/52/52/22/1164525222.db2.gz SJHCPPFWNRHGBI-NSHDSACASA-N -1 1 263.297 1.022 20 0 CDADMM O=C([O-])[C@H](CC(F)F)NCc1nccn1C1CC1 ZINC001608535437 1164536263 /nfs/dbraw/zinc/53/62/63/1164536263.db2.gz VFLHSLLCGJLBAV-QMMMGPOBSA-N -1 1 259.256 1.416 20 0 CDADMM O=C([O-])C[C@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)N2)C1CC1 ZINC001608665286 1164596258 /nfs/dbraw/zinc/59/62/58/1164596258.db2.gz BZNLBYKJMRMEGK-UPJWGTAASA-N -1 1 295.383 1.023 20 0 CDADMM O=C([O-])C[C@H]1CCCN1C(=O)c1cc2[nH]cnc2cc1F ZINC001608696233 1164608549 /nfs/dbraw/zinc/60/85/49/1164608549.db2.gz LZTLIZOWXPVRTR-MRVPVSSYSA-N -1 1 291.282 1.781 20 0 CDADMM O=C([O-])c1ccc(C(=O)N[C@H]2CN3CCC2CC3)c(F)c1 ZINC001608874031 1164669142 /nfs/dbraw/zinc/66/91/42/1164669142.db2.gz PHNLTSIMQGLPQE-ZDUSSCGKSA-N -1 1 292.310 1.348 20 0 CDADMM O=C([O-])c1ccc(NC(=O)[C@H]2CCCc3[nH]ncc32)cn1 ZINC001608899963 1164679504 /nfs/dbraw/zinc/67/95/04/1164679504.db2.gz NQCFVBZFXKCPOE-VIFPVBQESA-N -1 1 286.291 1.562 20 0 CDADMM O=C([O-])c1cnc(NC2CCN([C@H]3CCOC3)CC2)s1 ZINC001608976446 1164700766 /nfs/dbraw/zinc/70/07/66/1164700766.db2.gz SUACCMIAXBATJN-JTQLQIEISA-N -1 1 297.380 1.507 20 0 CDADMM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001609089628 1164765703 /nfs/dbraw/zinc/76/57/03/1164765703.db2.gz FOZLYQVRARFPJN-BXUZGUMPSA-N -1 1 286.339 1.426 20 0 CDADMM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001609089628 1164765708 /nfs/dbraw/zinc/76/57/08/1164765708.db2.gz FOZLYQVRARFPJN-BXUZGUMPSA-N -1 1 286.339 1.426 20 0 CDADMM C[C@H]1CCC[C@H]1CC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001609164671 1164810200 /nfs/dbraw/zinc/81/02/00/1164810200.db2.gz VJTBGVPKPITNHP-IUCAKERBSA-N -1 1 289.343 1.365 20 0 CDADMM C[C@H]1CCC[C@H]1CC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001609164671 1164810207 /nfs/dbraw/zinc/81/02/07/1164810207.db2.gz VJTBGVPKPITNHP-IUCAKERBSA-N -1 1 289.343 1.365 20 0 CDADMM C[C@@H]1CCC[C@H](Nc2ccnc(-c3nnn[n-]3)c2)[C@@H]1C ZINC001609164430 1164810793 /nfs/dbraw/zinc/81/07/93/1164810793.db2.gz RGHFRNYOVSUYCK-FOGDFJRCSA-N -1 1 272.356 1.920 20 0 CDADMM C[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)c2)[C@@H]1C ZINC001609164430 1164810801 /nfs/dbraw/zinc/81/08/01/1164810801.db2.gz RGHFRNYOVSUYCK-FOGDFJRCSA-N -1 1 272.356 1.920 20 0 CDADMM CO[C@@H](C)COC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609309122 1164889259 /nfs/dbraw/zinc/88/92/59/1164889259.db2.gz WPNHGBCOECEEPE-ZETCQYMHSA-N -1 1 280.259 1.198 20 0 CDADMM CO[C@@H](C)COC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609309122 1164889266 /nfs/dbraw/zinc/88/92/66/1164889266.db2.gz WPNHGBCOECEEPE-ZETCQYMHSA-N -1 1 280.259 1.198 20 0 CDADMM COCc1ccc(CNc2n[nH]c(C)c2-c2nnn[n-]2)o1 ZINC001609330694 1164904123 /nfs/dbraw/zinc/90/41/23/1164904123.db2.gz NNKVDQIUUOUMKV-UHFFFAOYSA-N -1 1 289.299 1.250 20 0 CDADMM COCc1ccc(CNc2n[nH]c(C)c2-c2nn[n-]n2)o1 ZINC001609330694 1164904126 /nfs/dbraw/zinc/90/41/26/1164904126.db2.gz NNKVDQIUUOUMKV-UHFFFAOYSA-N -1 1 289.299 1.250 20 0 CDADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001609376017 1164915955 /nfs/dbraw/zinc/91/59/55/1164915955.db2.gz IETJQHHOXMAOBV-VIFPVBQESA-N -1 1 267.296 1.830 20 0 CDADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001609376017 1164915961 /nfs/dbraw/zinc/91/59/61/1164915961.db2.gz IETJQHHOXMAOBV-VIFPVBQESA-N -1 1 267.296 1.830 20 0 CDADMM Cc1cc(NCC[C@@H]2CCCCO2)cc(-c2nnn[n-]2)n1 ZINC001609409309 1164933495 /nfs/dbraw/zinc/93/34/95/1164933495.db2.gz GVBNMHCLCZMVCK-LBPRGKRZSA-N -1 1 288.355 1.941 20 0 CDADMM Cc1cc(NCC[C@@H]2CCCCO2)cc(-c2nn[n-]n2)n1 ZINC001609409309 1164933500 /nfs/dbraw/zinc/93/35/00/1164933500.db2.gz GVBNMHCLCZMVCK-LBPRGKRZSA-N -1 1 288.355 1.941 20 0 CDADMM Cc1cc(N[C@@H]2CCCC[C@H]2F)cc(-c2nnn[n-]2)n1 ZINC001609410011 1164933605 /nfs/dbraw/zinc/93/36/05/1164933605.db2.gz HEBKIVLXIHQKDD-GHMZBOCLSA-N -1 1 276.319 1.685 20 0 CDADMM Cc1cc(N[C@@H]2CCCC[C@H]2F)cc(-c2nn[n-]n2)n1 ZINC001609410011 1164933610 /nfs/dbraw/zinc/93/36/10/1164933610.db2.gz HEBKIVLXIHQKDD-GHMZBOCLSA-N -1 1 276.319 1.685 20 0 CDADMM Cc1cc(OC(=O)c2ccnc(-c3nnn[n-]3)c2)ccc1F ZINC001609411288 1164936544 /nfs/dbraw/zinc/93/65/44/1164936544.db2.gz YWXKVBCDCSSSIE-UHFFFAOYSA-N -1 1 299.265 1.928 20 0 CDADMM Cc1cc(OC(=O)c2ccnc(-c3nn[n-]n3)c2)ccc1F ZINC001609411288 1164936545 /nfs/dbraw/zinc/93/65/45/1164936545.db2.gz YWXKVBCDCSSSIE-UHFFFAOYSA-N -1 1 299.265 1.928 20 0 CDADMM O=C(Oc1ccccc1F)c1ccc(-c2nn[n-]n2)o1 ZINC001609579261 1164997483 /nfs/dbraw/zinc/99/74/83/1164997483.db2.gz LTZGXBXRKIJMCO-UHFFFAOYSA-N -1 1 274.211 1.818 20 0 CDADMM c1cc(-c2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)co1 ZINC001609613088 1165007730 /nfs/dbraw/zinc/00/77/30/1165007730.db2.gz JIIWXURVJIPSMG-UHFFFAOYSA-N -1 1 281.235 1.572 20 0 CDADMM c1cc(-c2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)co1 ZINC001609613088 1165007732 /nfs/dbraw/zinc/00/77/32/1165007732.db2.gz JIIWXURVJIPSMG-UHFFFAOYSA-N -1 1 281.235 1.572 20 0 CDADMM c1ncc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)s1 ZINC001609620840 1165017293 /nfs/dbraw/zinc/01/72/93/1165017293.db2.gz GFYFMADKWRCPCS-UHFFFAOYSA-N -1 1 288.340 1.536 20 0 CDADMM c1ncc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)s1 ZINC001609620840 1165017298 /nfs/dbraw/zinc/01/72/98/1165017298.db2.gz GFYFMADKWRCPCS-UHFFFAOYSA-N -1 1 288.340 1.536 20 0 CDADMM C[C@@](NC[C@H](O)C(F)(F)F)(C(=O)[O-])c1ccc(F)cc1 ZINC001609774265 1165074494 /nfs/dbraw/zinc/07/44/94/1165074494.db2.gz SOLAXXDUOZRSLV-ONGXEEELSA-N -1 1 295.232 1.638 20 0 CDADMM CN(C)c1ncc(CN2CC(C)(C(=O)[O-])C2)s1 ZINC001610107309 1165218236 /nfs/dbraw/zinc/21/82/36/1165218236.db2.gz QUWDSRQYRDBBQW-UHFFFAOYSA-N -1 1 255.343 1.116 20 0 CDADMM Cc1sc([C@@H]2CCCN2CCCO)nc1C(=O)[O-] ZINC001610591106 1165369825 /nfs/dbraw/zinc/36/98/25/1165369825.db2.gz FWPDXSQIQLKQRJ-VIFPVBQESA-N -1 1 270.354 1.669 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(Cn3ccc(-c4cccs4)n3)C[C@@H]21 ZINC001610803958 1165448594 /nfs/dbraw/zinc/44/85/94/1165448594.db2.gz SXYJIELCRIBXDL-IWIIMEHWSA-N -1 1 289.360 1.832 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)[C@@H]3CCCO3)[nH]c21 ZINC001610850264 1165461296 /nfs/dbraw/zinc/46/12/96/1165461296.db2.gz YCICMKXDDLTWOL-VIFPVBQESA-N -1 1 275.264 1.379 20 0 CDADMM Cn1ccnc1CNC(=O)c1ncc2ccccc2c1[O-] ZINC001614710962 1165545696 /nfs/dbraw/zinc/54/56/96/1165545696.db2.gz YTGSIBFTEBTBAI-UHFFFAOYSA-N -1 1 282.303 1.604 20 0 CDADMM CSc1ncc(C(=O)N[C@@H]2CCC2(C)C)c(=O)[n-]1 ZINC001627052823 1165974677 /nfs/dbraw/zinc/97/46/77/1165974677.db2.gz VYAUOSXNCHBWAK-MRVPVSSYSA-N -1 1 267.354 1.823 20 0 CDADMM CCC(CC)(NC(=O)Cc1ccc(C)cc1)c1nn[n-]n1 ZINC000095284743 1166618326 /nfs/dbraw/zinc/61/83/26/1166618326.db2.gz CKWSDGZJAHHIDH-UHFFFAOYSA-N -1 1 287.367 1.882 20 0 CDADMM CCCN(CC1CC1)c1cnc(-c2nnn[n-]2)cn1 ZINC000095277783 1166618380 /nfs/dbraw/zinc/61/83/80/1166618380.db2.gz SNWQVBQKEFYMCT-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CCCN(CC1CC1)c1cnc(-c2nn[n-]n2)cn1 ZINC000095277783 1166618386 /nfs/dbraw/zinc/61/83/86/1166618386.db2.gz SNWQVBQKEFYMCT-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CC(C)c1coc(NC(=O)CCCc2nn[n-]n2)n1 ZINC001635944881 1166634762 /nfs/dbraw/zinc/63/47/62/1166634762.db2.gz ACNVXARZZQYDKZ-UHFFFAOYSA-N -1 1 264.289 1.273 20 0 CDADMM COc1cccnc1CNC(=O)c1ccc([O-])cn1 ZINC001642878744 1167208612 /nfs/dbraw/zinc/20/86/12/1167208612.db2.gz JANASYADGZIISP-UHFFFAOYSA-N -1 1 259.265 1.121 20 0 CDADMM CC(C)COCCC(=O)OCC(=O)c1ccc([O-])cc1O ZINC000058868705 1167265272 /nfs/dbraw/zinc/26/52/72/1167265272.db2.gz QVPJBEPEQAPCTF-UHFFFAOYSA-N -1 1 296.319 1.886 20 0 CDADMM O=C([O-])c1coc(N2CCC[C@H](N3CCOCC3)CC2)n1 ZINC001646505962 1167887135 /nfs/dbraw/zinc/88/71/35/1167887135.db2.gz OWSUBVPWYLXCQX-NSHDSACASA-N -1 1 295.339 1.064 20 0 CDADMM CCN(CC1CCC1)c1nnc(-c2c[n-][nH]c2=O)n1C ZINC001646682848 1168040648 /nfs/dbraw/zinc/04/06/48/1168040648.db2.gz WTGLQXCYXLNVEP-UHFFFAOYSA-N -1 1 276.344 1.537 20 0 CDADMM CN(C(=O)c1cn(C)nc1C1CCCCC1)c1nn[n-]n1 ZINC001647397188 1168645730 /nfs/dbraw/zinc/64/57/30/1168645730.db2.gz ACWZJFUMANBHLN-UHFFFAOYSA-N -1 1 289.343 1.258 20 0 CDADMM COc1nc(Cl)c(C=Cc2ncc(OC)c(=O)[n-]2)n1C ZINC001647412762 1168661640 /nfs/dbraw/zinc/66/16/40/1168661640.db2.gz AMSJZILSQOJBEO-SNAWJCMRSA-N -1 1 296.714 1.757 20 0 CDADMM Cc1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)ccn1 ZINC001647422941 1168675128 /nfs/dbraw/zinc/67/51/28/1168675128.db2.gz PVDCRAFFVUTFIN-GFCCVEGCSA-N -1 1 291.351 1.011 20 0 CDADMM CSc1nc(CNC(=O)[C@@H](C)n2cccc2)cc(=O)[n-]1 ZINC001649969821 1169552903 /nfs/dbraw/zinc/55/29/03/1169552903.db2.gz UAEWTZPKCSOODI-SECBINFHSA-N -1 1 292.364 1.583 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc2c(c1)nc(C)[nH]c2=O ZINC001569835760 1170012388 /nfs/dbraw/zinc/01/23/88/1170012388.db2.gz DUZNWEBTZBIDPX-UHFFFAOYSA-N -1 1 299.290 1.633 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)c2cnc3ccccn32)n1 ZINC001570104281 1170081483 /nfs/dbraw/zinc/08/14/83/1170081483.db2.gz BNAVGIGMOCRGJM-UHFFFAOYSA-N -1 1 299.290 1.486 20 0 CDADMM COc1ccc([C@H](NCC2=NOCC2)C(=O)[O-])cc1F ZINC001574031510 1170867885 /nfs/dbraw/zinc/86/78/85/1170867885.db2.gz YFXXUKKDFNMIPH-LBPRGKRZSA-N -1 1 282.271 1.326 20 0 CDADMM Cc1cn[nH]c1CSc1ncc(C(=O)[O-])c(N)n1 ZINC001574128891 1170892574 /nfs/dbraw/zinc/89/25/74/1170892574.db2.gz ZWTPNSCCCKLLMM-UHFFFAOYSA-N -1 1 265.298 1.081 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)[C@@H]3[C@@H]4CCC(=O)[C@@H]43)[nH]c21 ZINC001574415316 1170976970 /nfs/dbraw/zinc/97/69/70/1170976970.db2.gz OLTVRULZUOVHBK-DIMCTHFVSA-N -1 1 299.286 1.425 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)[C@@H](O)C3CCC3)[nH]c21 ZINC001574414916 1170977038 /nfs/dbraw/zinc/97/70/38/1170977038.db2.gz KLSOCWRDGZZTLD-NSHDSACASA-N -1 1 289.291 1.361 20 0 CDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)c1ccc[nH]1 ZINC001575449925 1171176815 /nfs/dbraw/zinc/17/68/15/1171176815.db2.gz LHUWQLUCOVVPGH-SSDOTTSWSA-N -1 1 256.273 1.158 20 0 CDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)c1ccc[nH]1 ZINC001575449925 1171176819 /nfs/dbraw/zinc/17/68/19/1171176819.db2.gz LHUWQLUCOVVPGH-SSDOTTSWSA-N -1 1 256.273 1.158 20 0 CDADMM C[C@H](C(=O)N1CC[C@H](c2nn[n-]n2)C1)c1cccc(O)c1 ZINC001650582433 1171206380 /nfs/dbraw/zinc/20/63/80/1171206380.db2.gz MCICOWMDNUNTPF-ONGXEEELSA-N -1 1 287.323 1.025 20 0 CDADMM CCc1nc(C(=O)Nc2c[n-][nH]c2=O)nn1-c1ccccc1 ZINC001654603458 1171623457 /nfs/dbraw/zinc/62/34/57/1171623457.db2.gz OMBCKTIVKGRWDS-UHFFFAOYSA-N -1 1 298.306 1.511 20 0 CDADMM CCc1ccccc1CC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001578537343 1171947628 /nfs/dbraw/zinc/94/76/28/1171947628.db2.gz RGCHLPADOGZGHK-UHFFFAOYSA-N -1 1 297.322 1.333 20 0 CDADMM CN(C)c1ccccc1CNc1ncncc1-c1nn[n-]n1 ZINC001579000426 1172072953 /nfs/dbraw/zinc/07/29/53/1172072953.db2.gz XHKBNVVNMDADGU-UHFFFAOYSA-N -1 1 296.338 1.335 20 0 CDADMM Fc1ccc(OCc2ccnc(F)c2)c(-c2nn[n-]n2)n1 ZINC001581852594 1172625028 /nfs/dbraw/zinc/62/50/28/1172625028.db2.gz CBDUDGBKUQPIGR-UHFFFAOYSA-N -1 1 290.233 1.514 20 0 CDADMM c1ccc(CSc2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001582819664 1172697251 /nfs/dbraw/zinc/69/72/51/1172697251.db2.gz UPLGWHZSZLXMOJ-UHFFFAOYSA-N -1 1 271.309 1.344 20 0 CDADMM CC(C)[C@@H]1N(c2cc(-c3nnn[n-]3)ncn2)CC12CCC2 ZINC001589520692 1173155990 /nfs/dbraw/zinc/15/59/90/1173155990.db2.gz XINPVTTWSASZRK-LBPRGKRZSA-N -1 1 285.355 1.672 20 0 CDADMM CC(C)[C@@H]1N(c2cc(-c3nn[n-]n3)ncn2)CC12CCC2 ZINC001589520692 1173155995 /nfs/dbraw/zinc/15/59/95/1173155995.db2.gz XINPVTTWSASZRK-LBPRGKRZSA-N -1 1 285.355 1.672 20 0 CDADMM CC(C)CC(CC(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001589552224 1173156826 /nfs/dbraw/zinc/15/68/26/1173156826.db2.gz JLWYFBFOOMFKMA-UHFFFAOYSA-N -1 1 289.387 1.951 20 0 CDADMM CC(C)CO[C@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001589639119 1173166510 /nfs/dbraw/zinc/16/65/10/1173166510.db2.gz SMKXFDFDIBMDAF-SECBINFHSA-N -1 1 294.311 1.564 20 0 CDADMM CC(C)CO[C@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001589639119 1173166517 /nfs/dbraw/zinc/16/65/17/1173166517.db2.gz SMKXFDFDIBMDAF-SECBINFHSA-N -1 1 294.311 1.564 20 0 CDADMM CC(C)SCOc1cnc(-c2nn[n-]n2)nc1 ZINC001589761426 1173174934 /nfs/dbraw/zinc/17/49/34/1173174934.db2.gz PUKXGUKUOCLPTP-UHFFFAOYSA-N -1 1 252.303 1.135 20 0 CDADMM C[C@@H](COC(=O)c1coc(-c2nnn[n-]2)c1)C1CC1 ZINC001589885363 1173194636 /nfs/dbraw/zinc/19/46/36/1173194636.db2.gz VBVNDTWTHXEAAU-ZETCQYMHSA-N -1 1 262.269 1.663 20 0 CDADMM C[C@@H](COC(=O)c1coc(-c2nn[n-]n2)c1)C1CC1 ZINC001589885363 1173194641 /nfs/dbraw/zinc/19/46/41/1173194641.db2.gz VBVNDTWTHXEAAU-ZETCQYMHSA-N -1 1 262.269 1.663 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC001589944602 1173205171 /nfs/dbraw/zinc/20/51/71/1173205171.db2.gz OMOXJPULEPIPEE-BYPYZUCNSA-N -1 1 291.258 1.609 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC001589944602 1173205176 /nfs/dbraw/zinc/20/51/76/1173205176.db2.gz OMOXJPULEPIPEE-BYPYZUCNSA-N -1 1 291.258 1.609 20 0 CDADMM C[C@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)C(C)(C)O ZINC001589980269 1173220432 /nfs/dbraw/zinc/22/04/32/1173220432.db2.gz KCKSOUCUCINULJ-ZETCQYMHSA-N -1 1 289.343 1.105 20 0 CDADMM C[C@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)C(C)(C)O ZINC001589980269 1173220444 /nfs/dbraw/zinc/22/04/44/1173220444.db2.gz KCKSOUCUCINULJ-ZETCQYMHSA-N -1 1 289.343 1.105 20 0 CDADMM C[C@H](c1ccccc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001590048154 1173240324 /nfs/dbraw/zinc/24/03/24/1173240324.db2.gz CEHIHLZJZSIFSF-SNVBAGLBSA-N -1 1 281.323 1.854 20 0 CDADMM CC1(C)CCC[C@@H]1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001590097418 1173255758 /nfs/dbraw/zinc/25/57/58/1173255758.db2.gz UNGOORRZVUFSAA-MRVPVSSYSA-N -1 1 275.316 1.112 20 0 CDADMM C[C@@H]1[C@@H](C(F)(F)F)CCN1c1nccnc1-c1nnn[n-]1 ZINC001590166344 1173281855 /nfs/dbraw/zinc/28/18/55/1173281855.db2.gz ARPHIYFRXULKNI-RQJHMYQMSA-N -1 1 299.260 1.434 20 0 CDADMM C[C@@H]1[C@@H](C(F)(F)F)CCN1c1nccnc1-c1nn[n-]n1 ZINC001590166344 1173281858 /nfs/dbraw/zinc/28/18/58/1173281858.db2.gz ARPHIYFRXULKNI-RQJHMYQMSA-N -1 1 299.260 1.434 20 0 CDADMM C[C@@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)n2)[C@@H](C)O1 ZINC001590210744 1173294696 /nfs/dbraw/zinc/29/46/96/1173294696.db2.gz ZPLDTLDZCPWXCC-MRTMQBJTSA-N -1 1 260.301 1.240 20 0 CDADMM C[C@@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)n2)[C@@H](C)O1 ZINC001590210744 1173294702 /nfs/dbraw/zinc/29/47/02/1173294702.db2.gz ZPLDTLDZCPWXCC-MRTMQBJTSA-N -1 1 260.301 1.240 20 0 CDADMM C[C@@H]1CCN1c1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001590277560 1173338581 /nfs/dbraw/zinc/33/85/81/1173338581.db2.gz TWSUOQUMULLHFB-ZCFIWIBFSA-N -1 1 284.245 1.879 20 0 CDADMM C[C@@H]1CCN1c1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001590277560 1173338588 /nfs/dbraw/zinc/33/85/88/1173338588.db2.gz TWSUOQUMULLHFB-ZCFIWIBFSA-N -1 1 284.245 1.879 20 0 CDADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)[C@@H]2CCCC[C@@H]21 ZINC001590316646 1173351307 /nfs/dbraw/zinc/35/13/07/1173351307.db2.gz PBZWGGQJBYIZFL-CKYFFXLPSA-N -1 1 285.355 1.672 20 0 CDADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)[C@@H]2CCCC[C@@H]21 ZINC001590316646 1173351314 /nfs/dbraw/zinc/35/13/14/1173351314.db2.gz PBZWGGQJBYIZFL-CKYFFXLPSA-N -1 1 285.355 1.672 20 0 CDADMM C/C=C/C[C@H](CO)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590351394 1173367838 /nfs/dbraw/zinc/36/78/38/1173367838.db2.gz DWYKOBRKGSUJCL-GKQMSVHHSA-N -1 1 260.301 1.001 20 0 CDADMM C/C=C/C[C@H](CO)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590351394 1173367841 /nfs/dbraw/zinc/36/78/41/1173367841.db2.gz DWYKOBRKGSUJCL-GKQMSVHHSA-N -1 1 260.301 1.001 20 0 CDADMM CCC(C)(C)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590377271 1173373679 /nfs/dbraw/zinc/37/36/79/1173373679.db2.gz VGIPQEHXBLGCGY-UHFFFAOYSA-N -1 1 265.342 1.847 20 0 CDADMM CC[C@H](C)n1nc(Nc2ncncc2-c2nn[n-]n2)cc1C ZINC001590417921 1173402095 /nfs/dbraw/zinc/40/20/95/1173402095.db2.gz DGLLPYNYSONRFJ-QMMMGPOBSA-N -1 1 299.342 1.876 20 0 CDADMM CC[C@@H](COCC1CC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590447919 1173413492 /nfs/dbraw/zinc/41/34/92/1173413492.db2.gz RVCOREHIFREEER-NSHDSACASA-N -1 1 288.355 1.879 20 0 CDADMM CC[C@@H](COCC1CC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590447919 1173413493 /nfs/dbraw/zinc/41/34/93/1173413493.db2.gz RVCOREHIFREEER-NSHDSACASA-N -1 1 288.355 1.879 20 0 CDADMM CC[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccncc1 ZINC001590472826 1173425246 /nfs/dbraw/zinc/42/52/46/1173425246.db2.gz HVSDYVGSOAMVGQ-GFCCVEGCSA-N -1 1 281.323 1.642 20 0 CDADMM CC[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccncc1 ZINC001590472826 1173425249 /nfs/dbraw/zinc/42/52/49/1173425249.db2.gz HVSDYVGSOAMVGQ-GFCCVEGCSA-N -1 1 281.323 1.642 20 0 CDADMM CCC1=C(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CCCO1 ZINC001590501131 1173436062 /nfs/dbraw/zinc/43/60/62/1173436062.db2.gz WLPDESNROTVPJN-UHFFFAOYSA-N -1 1 289.299 1.003 20 0 CDADMM CCC1=C(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CCCO1 ZINC001590501131 1173436068 /nfs/dbraw/zinc/43/60/68/1173436068.db2.gz WLPDESNROTVPJN-UHFFFAOYSA-N -1 1 289.299 1.003 20 0 CDADMM CC[C@H]1CCC[C@@H]1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590508168 1173442950 /nfs/dbraw/zinc/44/29/50/1173442950.db2.gz MOCYRHVCTAVNBW-UWVGGRQHSA-N -1 1 273.344 1.956 20 0 CDADMM CC[C@H]1CCC[C@@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590508168 1173442952 /nfs/dbraw/zinc/44/29/52/1173442952.db2.gz MOCYRHVCTAVNBW-UWVGGRQHSA-N -1 1 273.344 1.956 20 0 CDADMM CCC[C@H]1CN(c2cc(C)cc(-c3nnn[n-]3)n2)CCO1 ZINC001590570072 1173465928 /nfs/dbraw/zinc/46/59/28/1173465928.db2.gz XMWSSZCCKJNQAD-NSHDSACASA-N -1 1 288.355 1.575 20 0 CDADMM CCC[C@H]1CN(c2cc(C)cc(-c3nn[n-]n3)n2)CCO1 ZINC001590570072 1173465930 /nfs/dbraw/zinc/46/59/30/1173465930.db2.gz XMWSSZCCKJNQAD-NSHDSACASA-N -1 1 288.355 1.575 20 0 CDADMM CCCNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001590638350 1173480159 /nfs/dbraw/zinc/48/01/59/1173480159.db2.gz IMYCLJMWPJMICQ-UHFFFAOYSA-N -1 1 270.296 1.488 20 0 CDADMM CC[C@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001590867594 1173534521 /nfs/dbraw/zinc/53/45/21/1173534521.db2.gz HBPFZDICNYMOJK-SCSAIBSYSA-N -1 1 274.737 1.159 20 0 CDADMM CC[C@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590867594 1173534527 /nfs/dbraw/zinc/53/45/27/1173534527.db2.gz HBPFZDICNYMOJK-SCSAIBSYSA-N -1 1 274.737 1.159 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC(C3CC3)CC2)n1 ZINC001590905731 1173538648 /nfs/dbraw/zinc/53/86/48/1173538648.db2.gz MAFGVXDOHACIHO-UHFFFAOYSA-N -1 1 299.382 1.846 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC(C3CC3)CC2)n1 ZINC001590905731 1173538653 /nfs/dbraw/zinc/53/86/53/1173538653.db2.gz MAFGVXDOHACIHO-UHFFFAOYSA-N -1 1 299.382 1.846 20 0 CDADMM CCc1cnc(NC(=O)c2coc(-c3nn[n-]n3)c2)o1 ZINC001590901320 1173539990 /nfs/dbraw/zinc/53/99/90/1173539990.db2.gz BBOBITUPSCMVPZ-UHFFFAOYSA-N -1 1 274.240 1.262 20 0 CDADMM CCc1cnc(NC(=O)c2coc(-c3nnn[n-]3)c2)o1 ZINC001590901320 1173539986 /nfs/dbraw/zinc/53/99/86/1173539986.db2.gz BBOBITUPSCMVPZ-UHFFFAOYSA-N -1 1 274.240 1.262 20 0 CDADMM CN(CCCCCO)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001591065130 1173569211 /nfs/dbraw/zinc/56/92/11/1173569211.db2.gz CRCXVRDYQUQPNK-UHFFFAOYSA-N -1 1 296.762 1.514 20 0 CDADMM CN(CCCCCO)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001591065130 1173569214 /nfs/dbraw/zinc/56/92/14/1173569214.db2.gz CRCXVRDYQUQPNK-UHFFFAOYSA-N -1 1 296.762 1.514 20 0 CDADMM CN(c1ccnc(-c2nnn[n-]2)c1)[C@@H](CO)CC(C)(C)C ZINC001591157408 1173585998 /nfs/dbraw/zinc/58/59/98/1173585998.db2.gz INQZREWRKZUDGY-LLVKDONJSA-N -1 1 290.371 1.495 20 0 CDADMM CN(c1ccnc(-c2nn[n-]n2)c1)[C@@H](CO)CC(C)(C)C ZINC001591157408 1173586003 /nfs/dbraw/zinc/58/60/03/1173586003.db2.gz INQZREWRKZUDGY-LLVKDONJSA-N -1 1 290.371 1.495 20 0 CDADMM CO[C@@](C)(CNc1cccnc1-c1nnn[n-]1)C1CC1 ZINC001591318437 1173605288 /nfs/dbraw/zinc/60/52/88/1173605288.db2.gz RTGFAXOPYUOSJG-ZDUSSCGKSA-N -1 1 274.328 1.489 20 0 CDADMM CO[C@@](C)(CNc1cccnc1-c1nn[n-]n1)C1CC1 ZINC001591318437 1173605290 /nfs/dbraw/zinc/60/52/90/1173605290.db2.gz RTGFAXOPYUOSJG-ZDUSSCGKSA-N -1 1 274.328 1.489 20 0 CDADMM COc1cc(CNc2cccnc2-c2nnn[n-]2)ccn1 ZINC001591537027 1173666241 /nfs/dbraw/zinc/66/62/41/1173666241.db2.gz HOBFAFUIFUJRQP-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM COc1cc(CNc2cccnc2-c2nn[n-]n2)ccn1 ZINC001591537027 1173666247 /nfs/dbraw/zinc/66/62/47/1173666247.db2.gz HOBFAFUIFUJRQP-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591753202 1173697324 /nfs/dbraw/zinc/69/73/24/1173697324.db2.gz HVXVUDUADMVPIP-CZULRBLNSA-N -1 1 299.338 1.428 20 0 CDADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591753202 1173697326 /nfs/dbraw/zinc/69/73/26/1173697326.db2.gz HVXVUDUADMVPIP-CZULRBLNSA-N -1 1 299.338 1.428 20 0 CDADMM C[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1cccnc1 ZINC001591769402 1173697574 /nfs/dbraw/zinc/69/75/74/1173697574.db2.gz NWCMREZUZXXTGU-QMMMGPOBSA-N -1 1 284.279 1.346 20 0 CDADMM C[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1cccnc1 ZINC001591769402 1173697579 /nfs/dbraw/zinc/69/75/79/1173697579.db2.gz NWCMREZUZXXTGU-QMMMGPOBSA-N -1 1 284.279 1.346 20 0 CDADMM C[C@H](O)CNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)n1 ZINC001591770815 1173700472 /nfs/dbraw/zinc/70/04/72/1173700472.db2.gz ZMIROBDTLMCKDQ-YFKPBYRVSA-N -1 1 288.233 1.073 20 0 CDADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2coc(C3CC3)n2)c1 ZINC001591837283 1173712165 /nfs/dbraw/zinc/71/21/65/1173712165.db2.gz XRRDFPPVBWOJKX-UHFFFAOYSA-N -1 1 298.306 1.251 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](n3cccn3)C2)c1 ZINC001591886892 1173737873 /nfs/dbraw/zinc/73/78/73/1173737873.db2.gz MVJZEHMNUNFTAX-NSHDSACASA-N -1 1 296.338 1.218 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](n3cccn3)C2)c1 ZINC001591886892 1173737880 /nfs/dbraw/zinc/73/78/80/1173737880.db2.gz MVJZEHMNUNFTAX-NSHDSACASA-N -1 1 296.338 1.218 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@@H](C)[C@H]2C)c1 ZINC001591889072 1173738998 /nfs/dbraw/zinc/73/89/98/1173738998.db2.gz XGKYREUUEGNPBC-ZJUUUORDSA-N -1 1 274.328 1.184 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@@H](C)[C@H]2C)c1 ZINC001591889072 1173739007 /nfs/dbraw/zinc/73/90/07/1173739007.db2.gz XGKYREUUEGNPBC-ZJUUUORDSA-N -1 1 274.328 1.184 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCC[C@H]2C)n1 ZINC001591892522 1173742907 /nfs/dbraw/zinc/74/29/07/1173742907.db2.gz CTPNHRRILZJFFU-APPZFPTMSA-N -1 1 259.317 1.566 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCC[C@H]2C)n1 ZINC001591892522 1173742910 /nfs/dbraw/zinc/74/29/10/1173742910.db2.gz CTPNHRRILZJFFU-APPZFPTMSA-N -1 1 259.317 1.566 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(Oc2ccc(C=O)cc2)n1 ZINC001591903780 1173745506 /nfs/dbraw/zinc/74/55/06/1173745506.db2.gz SMIILUORGDUYMP-UHFFFAOYSA-N -1 1 282.263 1.570 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(Oc2ccc(C=O)cc2)n1 ZINC001591903780 1173745509 /nfs/dbraw/zinc/74/55/09/1173745509.db2.gz SMIILUORGDUYMP-UHFFFAOYSA-N -1 1 282.263 1.570 20 0 CDADMM Cc1cc(NC[C@@H]2CCC=CO2)nc(-c2nnn[n-]2)c1 ZINC001592044677 1173783946 /nfs/dbraw/zinc/78/39/46/1173783946.db2.gz QXZQOAOKZYBRBR-JTQLQIEISA-N -1 1 272.312 1.675 20 0 CDADMM Cc1cc(NC[C@@H]2CCC=CO2)nc(-c2nn[n-]n2)c1 ZINC001592044677 1173783950 /nfs/dbraw/zinc/78/39/50/1173783950.db2.gz QXZQOAOKZYBRBR-JTQLQIEISA-N -1 1 272.312 1.675 20 0 CDADMM Cc1cc(NCCOC(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001592049763 1173786712 /nfs/dbraw/zinc/78/67/12/1173786712.db2.gz DTHPHEKYAYMENC-UHFFFAOYSA-N -1 1 276.344 1.797 20 0 CDADMM Cc1cc(NCCOC(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001592049763 1173786716 /nfs/dbraw/zinc/78/67/16/1173786716.db2.gz DTHPHEKYAYMENC-UHFFFAOYSA-N -1 1 276.344 1.797 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N(C)CCc1ccccn1 ZINC001592110686 1173801268 /nfs/dbraw/zinc/80/12/68/1173801268.db2.gz SJRLLVCYOGCTCH-UHFFFAOYSA-N -1 1 295.350 1.644 20 0 CDADMM Cc1ccc(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)o1 ZINC001592129543 1173807216 /nfs/dbraw/zinc/80/72/16/1173807216.db2.gz KUDKPPXFIJCBCQ-UHFFFAOYSA-N -1 1 299.294 1.621 20 0 CDADMM Cc1ccc(CCNc2ccc(C)c(-c3nnn[n-]3)n2)nc1 ZINC001592151191 1173810827 /nfs/dbraw/zinc/81/08/27/1173810827.db2.gz HMNMJWWXBHOAFN-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(CCNc2ccc(C)c(-c3nn[n-]n3)n2)nc1 ZINC001592151191 1173810838 /nfs/dbraw/zinc/81/08/38/1173810838.db2.gz HMNMJWWXBHOAFN-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(CCNc2cc(-c3nnn[n-]3)nc(C)n2)cn1 ZINC001592151223 1173811117 /nfs/dbraw/zinc/81/11/17/1173811117.db2.gz JNGWUKWRKAPMGA-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1ccc(CCNc2cc(-c3nn[n-]n3)nc(C)n2)cn1 ZINC001592151223 1173811126 /nfs/dbraw/zinc/81/11/26/1173811126.db2.gz JNGWUKWRKAPMGA-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1ccc([C@@H](C)C(=O)Nc2n[nH]cc2-c2nnn[n-]2)o1 ZINC001592135122 1173811737 /nfs/dbraw/zinc/81/17/37/1173811737.db2.gz PLFWAMUHLPHOBT-SSDOTTSWSA-N -1 1 287.283 1.233 20 0 CDADMM Cc1ccc([C@@H](C)C(=O)Nc2n[nH]cc2-c2nn[n-]n2)o1 ZINC001592135122 1173811742 /nfs/dbraw/zinc/81/17/42/1173811742.db2.gz PLFWAMUHLPHOBT-SSDOTTSWSA-N -1 1 287.283 1.233 20 0 CDADMM Cc1[nH]nc(NC(=O)c2cc(C)ccc2C)c1-c1nn[n-]n1 ZINC001592138560 1173812506 /nfs/dbraw/zinc/81/25/06/1173812506.db2.gz FZGDQBMOQYOXFY-UHFFFAOYSA-N -1 1 297.322 1.767 20 0 CDADMM Cc1ccc(CN(C)c2cnc(-c3nnn[n-]3)cn2)s1 ZINC001592152731 1173815874 /nfs/dbraw/zinc/81/58/74/1173815874.db2.gz YYQIIJVNSVLCNI-UHFFFAOYSA-N -1 1 287.352 1.663 20 0 CDADMM Cc1ccc(CN(C)c2cnc(-c3nn[n-]n3)cn2)s1 ZINC001592152731 1173815881 /nfs/dbraw/zinc/81/58/81/1173815881.db2.gz YYQIIJVNSVLCNI-UHFFFAOYSA-N -1 1 287.352 1.663 20 0 CDADMM Cc1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)c(C)n1 ZINC001592180946 1173825337 /nfs/dbraw/zinc/82/53/37/1173825337.db2.gz SXKZODPHKJGIFD-UHFFFAOYSA-N -1 1 284.279 1.724 20 0 CDADMM Cc1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)c(C)n1 ZINC001592180946 1173825339 /nfs/dbraw/zinc/82/53/39/1173825339.db2.gz SXKZODPHKJGIFD-UHFFFAOYSA-N -1 1 284.279 1.724 20 0 CDADMM Cc1ccc(N[C@H]2CCCSC2)nc1-c1nnn[n-]1 ZINC001592184594 1173828925 /nfs/dbraw/zinc/82/89/25/1173828925.db2.gz VRZQSDBBMTXQIA-VIFPVBQESA-N -1 1 276.369 1.878 20 0 CDADMM Cc1ccc(N[C@H]2CCCSC2)nc1-c1nn[n-]n1 ZINC001592184594 1173828930 /nfs/dbraw/zinc/82/89/30/1173828930.db2.gz VRZQSDBBMTXQIA-VIFPVBQESA-N -1 1 276.369 1.878 20 0 CDADMM Cc1ccc2c(c1)N(c1cc(-c3nnn[n-]3)nc(C)n1)CC2 ZINC001592205453 1173832587 /nfs/dbraw/zinc/83/25/87/1173832587.db2.gz LIVLFVGAZDOYCF-UHFFFAOYSA-N -1 1 293.334 1.968 20 0 CDADMM Cc1ccc2c(c1)N(c1cc(-c3nn[n-]n3)nc(C)n1)CC2 ZINC001592205453 1173832590 /nfs/dbraw/zinc/83/25/90/1173832590.db2.gz LIVLFVGAZDOYCF-UHFFFAOYSA-N -1 1 293.334 1.968 20 0 CDADMM Cc1ccn(CCC2CCC2)c(=O)c1-c1nn[n-]n1 ZINC001592265823 1173838685 /nfs/dbraw/zinc/83/86/85/1173838685.db2.gz IGQZAPATJHBDDF-UHFFFAOYSA-N -1 1 259.313 1.527 20 0 CDADMM Cc1[nH]nc(NC(=O)C2(F)CCCCC2)c1-c1nn[n-]n1 ZINC001592327974 1173854465 /nfs/dbraw/zinc/85/44/65/1173854465.db2.gz OAUBSIYWWWHMNJ-UHFFFAOYSA-N -1 1 293.306 1.509 20 0 CDADMM Cc1nc(-c2nn[nH]n2)c(-n2[n-]c3c(c2=O)CCCC3)o1 ZINC001592336987 1173860076 /nfs/dbraw/zinc/86/00/76/1173860076.db2.gz LDOXXSDXBPNXBO-SSDOTTSWSA-N -1 1 287.283 1.056 20 0 CDADMM Cc1nc(COc2cccnc2-c2nnn[n-]2)oc1C ZINC001592364100 1173868224 /nfs/dbraw/zinc/86/82/24/1173868224.db2.gz JLTQVPONGOWUKQ-UHFFFAOYSA-N -1 1 272.268 1.446 20 0 CDADMM Cc1nc(COc2cccnc2-c2nn[n-]n2)oc1C ZINC001592364100 1173868227 /nfs/dbraw/zinc/86/82/27/1173868227.db2.gz JLTQVPONGOWUKQ-UHFFFAOYSA-N -1 1 272.268 1.446 20 0 CDADMM Cc1nc(NC[C@@H]2Cc3ccccc32)cc(-c2nnn[n-]2)n1 ZINC001592386967 1173875059 /nfs/dbraw/zinc/87/50/59/1173875059.db2.gz FITYYSBVPNFRCM-NSHDSACASA-N -1 1 293.334 1.717 20 0 CDADMM Cc1nc(NC[C@@H]2Cc3ccccc32)cc(-c2nn[n-]n2)n1 ZINC001592386967 1173875064 /nfs/dbraw/zinc/87/50/64/1173875064.db2.gz FITYYSBVPNFRCM-NSHDSACASA-N -1 1 293.334 1.717 20 0 CDADMM Cc1nc(NCC(C)(C)C[C@@H](C)O)cc(-c2nnn[n-]2)n1 ZINC001592384256 1173875168 /nfs/dbraw/zinc/87/51/68/1173875168.db2.gz PYYMMXWTPCCQPP-MRVPVSSYSA-N -1 1 291.359 1.174 20 0 CDADMM Cc1nc(NCC(C)(C)C[C@@H](C)O)cc(-c2nn[n-]n2)n1 ZINC001592384256 1173875174 /nfs/dbraw/zinc/87/51/74/1173875174.db2.gz PYYMMXWTPCCQPP-MRVPVSSYSA-N -1 1 291.359 1.174 20 0 CDADMM Cc1nc(NCC(C)(C)F)cc(-c2nnn[n-]2)n1 ZINC001592384267 1173875612 /nfs/dbraw/zinc/87/56/12/1173875612.db2.gz QEIFHWBGFJXZIX-UHFFFAOYSA-N -1 1 251.269 1.125 20 0 CDADMM Cc1nc(NCC(C)(C)F)cc(-c2nn[n-]n2)n1 ZINC001592384267 1173875619 /nfs/dbraw/zinc/87/56/19/1173875619.db2.gz QEIFHWBGFJXZIX-UHFFFAOYSA-N -1 1 251.269 1.125 20 0 CDADMM Cc1nc(NCC[C@H]2CC2(F)F)cc(-c2nnn[n-]2)n1 ZINC001592389264 1173879426 /nfs/dbraw/zinc/87/94/26/1173879426.db2.gz LCBDYCMCHJUBSS-ZETCQYMHSA-N -1 1 281.270 1.422 20 0 CDADMM Cc1ncoc1CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001592422569 1173886473 /nfs/dbraw/zinc/88/64/73/1173886473.db2.gz QWPIPWJMPAQHJE-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1C[C@]1(C)C(C)C ZINC001592499281 1173904138 /nfs/dbraw/zinc/90/41/38/1173904138.db2.gz LEGZQIPJQDIMAC-SMDDNHRTSA-N -1 1 289.339 1.933 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1C[C@]1(C)C(C)C ZINC001592499281 1173904146 /nfs/dbraw/zinc/90/41/46/1173904146.db2.gz LEGZQIPJQDIMAC-SMDDNHRTSA-N -1 1 289.339 1.933 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@@H](C)C1 ZINC001592496231 1173906120 /nfs/dbraw/zinc/90/61/20/1173906120.db2.gz BTNKQNYUHRLCSQ-MRVPVSSYSA-N -1 1 275.312 1.640 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@@H](C)C1 ZINC001592496231 1173906128 /nfs/dbraw/zinc/90/61/28/1173906128.db2.gz BTNKQNYUHRLCSQ-MRVPVSSYSA-N -1 1 275.312 1.640 20 0 CDADMM Clc1ccc(Cn2cnc(-c3nn[n-]n3)n2)cc1Cl ZINC001592531255 1173912957 /nfs/dbraw/zinc/91/29/57/1173912957.db2.gz AMQHJNPACBCYQD-UHFFFAOYSA-N -1 1 296.121 1.813 20 0 CDADMM FC1(F)C[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001592630633 1173939056 /nfs/dbraw/zinc/93/90/56/1173939056.db2.gz QRFWCLODKPBCHI-LURJTMIESA-N -1 1 267.243 1.114 20 0 CDADMM FC1(F)C[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001592630633 1173939064 /nfs/dbraw/zinc/93/90/64/1173939064.db2.gz QRFWCLODKPBCHI-LURJTMIESA-N -1 1 267.243 1.114 20 0 CDADMM Fc1cccc2c1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001592661538 1173957800 /nfs/dbraw/zinc/95/78/00/1173957800.db2.gz SUDSEELZYZKQKV-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM Fc1cccc([C@@H]2C[C@H]2Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001592658417 1173958029 /nfs/dbraw/zinc/95/80/29/1173958029.db2.gz MMDCWSCAESCNNP-CMPLNLGQSA-N -1 1 297.297 1.764 20 0 CDADMM Fc1cccc([C@@H]2C[C@H]2Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001592658417 1173958033 /nfs/dbraw/zinc/95/80/33/1173958033.db2.gz MMDCWSCAESCNNP-CMPLNLGQSA-N -1 1 297.297 1.764 20 0 CDADMM O=C(CCC1CC1)Nc1ncc(-c2nnn[n-]2)s1 ZINC001592828983 1173995019 /nfs/dbraw/zinc/99/50/19/1173995019.db2.gz WOHREVGTXVPICL-UHFFFAOYSA-N -1 1 264.314 1.452 20 0 CDADMM O=C(CCC1CC1)Nc1ncc(-c2nn[n-]n2)s1 ZINC001592828983 1173995023 /nfs/dbraw/zinc/99/50/23/1173995023.db2.gz WOHREVGTXVPICL-UHFFFAOYSA-N -1 1 264.314 1.452 20 0 CDADMM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001592821660 1173995373 /nfs/dbraw/zinc/99/53/73/1173995373.db2.gz WZUQHAZWIQOIBM-WOPDTQHZSA-N -1 1 299.334 1.741 20 0 CDADMM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001592821660 1173995376 /nfs/dbraw/zinc/99/53/76/1173995376.db2.gz WZUQHAZWIQOIBM-WOPDTQHZSA-N -1 1 299.334 1.741 20 0 CDADMM O=C(NCC1=CCCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001593021901 1174014003 /nfs/dbraw/zinc/01/40/03/1174014003.db2.gz WEUZYBGHCPGCHG-UHFFFAOYSA-N -1 1 259.269 1.300 20 0 CDADMM O=C(NCC1=CCCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001593021901 1174014013 /nfs/dbraw/zinc/01/40/13/1174014013.db2.gz WEUZYBGHCPGCHG-UHFFFAOYSA-N -1 1 259.269 1.300 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCCCC1 ZINC001593137641 1174024916 /nfs/dbraw/zinc/02/49/16/1174024916.db2.gz MBBSQYOVZANENF-UHFFFAOYSA-N -1 1 292.368 1.624 20 0 CDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCCC12CC2 ZINC001593147311 1174027346 /nfs/dbraw/zinc/02/73/46/1174027346.db2.gz KPFREFYETFLPJU-NSHDSACASA-N -1 1 298.350 1.458 20 0 CDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCC12CC2 ZINC001593147311 1174027352 /nfs/dbraw/zinc/02/73/52/1174027352.db2.gz KPFREFYETFLPJU-NSHDSACASA-N -1 1 298.350 1.458 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCC[C@@H]1C1CC1 ZINC001593244144 1174040274 /nfs/dbraw/zinc/04/02/74/1174040274.db2.gz MSRBBULNDLSYGA-LLVKDONJSA-N -1 1 299.338 1.668 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCC[C@@H]1C1CC1 ZINC001593244144 1174040277 /nfs/dbraw/zinc/04/02/77/1174040277.db2.gz MSRBBULNDLSYGA-LLVKDONJSA-N -1 1 299.338 1.668 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCC[C@H]1C1CC1 ZINC001593244145 1174040294 /nfs/dbraw/zinc/04/02/94/1174040294.db2.gz MSRBBULNDLSYGA-NSHDSACASA-N -1 1 299.338 1.668 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCC[C@H]1C1CC1 ZINC001593244145 1174040299 /nfs/dbraw/zinc/04/02/99/1174040299.db2.gz MSRBBULNDLSYGA-NSHDSACASA-N -1 1 299.338 1.668 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@H]2CCC[C@H]21 ZINC001593338578 1174069242 /nfs/dbraw/zinc/06/92/42/1174069242.db2.gz DUTMQZAISKCSGG-NXEZZACHSA-N -1 1 287.323 1.864 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@H]2CCC[C@H]21 ZINC001593338578 1174069247 /nfs/dbraw/zinc/06/92/47/1174069247.db2.gz DUTMQZAISKCSGG-NXEZZACHSA-N -1 1 287.323 1.864 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@@H](c2ccco2)C1 ZINC001593367100 1174071491 /nfs/dbraw/zinc/07/14/91/1174071491.db2.gz IEWPSZIERLZFSX-SECBINFHSA-N -1 1 299.290 1.682 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@@H](c2ccco2)C1 ZINC001593367100 1174071498 /nfs/dbraw/zinc/07/14/98/1174071498.db2.gz IEWPSZIERLZFSX-SECBINFHSA-N -1 1 299.290 1.682 20 0 CDADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC(F)(F)C1 ZINC001593371275 1174074186 /nfs/dbraw/zinc/07/41/86/1174074186.db2.gz QPHXLBVDQIEPFX-UHFFFAOYSA-N -1 1 271.252 1.019 20 0 CDADMM O=C(OCC1CCC(=O)CC1)c1ccc(-c2nn[n-]n2)o1 ZINC001593391959 1174076657 /nfs/dbraw/zinc/07/66/57/1174076657.db2.gz ZNAZXLXBEROVDO-UHFFFAOYSA-N -1 1 290.279 1.376 20 0 CDADMM O=c1c(-c2nn[n-]n2)cncn1Cc1sccc1Cl ZINC001593494187 1174088654 /nfs/dbraw/zinc/08/86/54/1174088654.db2.gz JIEPHKUPUCYWHW-UHFFFAOYSA-N -1 1 294.727 1.187 20 0 CDADMM c1c(-c2nnn[n-]2)nc(C2CC2)nc1N1CCC[C@@H]1C1CC1 ZINC001593543824 1174113987 /nfs/dbraw/zinc/11/39/87/1174113987.db2.gz GTKUJHFSAQEQMO-GFCCVEGCSA-N -1 1 297.366 1.913 20 0 CDADMM c1c(-c2nn[n-]n2)nc(C2CC2)nc1N1CCC[C@@H]1C1CC1 ZINC001593543824 1174113993 /nfs/dbraw/zinc/11/39/93/1174113993.db2.gz GTKUJHFSAQEQMO-GFCCVEGCSA-N -1 1 297.366 1.913 20 0 CDADMM c1nc(N2CC3(CCC3)[C@@H]2C2CC2)cnc1-c1nnn[n-]1 ZINC001593591982 1174160099 /nfs/dbraw/zinc/16/00/99/1174160099.db2.gz YHZQZOVEOIZWOU-LBPRGKRZSA-N -1 1 283.339 1.426 20 0 CDADMM c1nc(N2CC3(CCC3)[C@@H]2C2CC2)cnc1-c1nn[n-]n1 ZINC001593591982 1174160103 /nfs/dbraw/zinc/16/01/03/1174160103.db2.gz YHZQZOVEOIZWOU-LBPRGKRZSA-N -1 1 283.339 1.426 20 0 CDADMM Cc1cc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)oc1C(=O)[O-] ZINC001600192513 1174398833 /nfs/dbraw/zinc/39/88/33/1174398833.db2.gz RNPFWGHEEWPLGV-WCQGTBRESA-N -1 1 292.335 1.372 20 0 CDADMM Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])cc1C(=O)[O-] ZINC001600412858 1174468221 /nfs/dbraw/zinc/46/82/21/1174468221.db2.gz ASHWWKQDPJNTMK-GFCCVEGCSA-N -1 1 263.293 1.742 20 0 CDADMM Cc1cnc([C@@H](C)NCCc2cn(CC(=O)[O-])nn2)s1 ZINC001600618334 1174531916 /nfs/dbraw/zinc/53/19/16/1174531916.db2.gz FIJKINBQYXTQPU-SECBINFHSA-N -1 1 295.368 1.021 20 0 CDADMM Cc1scc(CN2CCC[C@@H]2C(=O)NCC(=O)[O-])c1C ZINC001600890464 1174654139 /nfs/dbraw/zinc/65/41/39/1174654139.db2.gz QHWZOSDADMZTIA-GFCCVEGCSA-N -1 1 296.392 1.530 20 0 CDADMM Cc1sccc1CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001600892015 1174654448 /nfs/dbraw/zinc/65/44/48/1174654448.db2.gz WSPDTOJUVASLSV-LLVKDONJSA-N -1 1 293.348 1.134 20 0 CDADMM Cn1cc(CN2CC[C@@]23CCOC3)cc1C(=O)[O-] ZINC001600951430 1174674343 /nfs/dbraw/zinc/67/43/43/1174674343.db2.gz JVIQUTBXRRTPEZ-ZDUSSCGKSA-N -1 1 250.298 1.088 20 0 CDADMM CN(C[C@H]1CCCCO1)c1ccnc(-c2nnn[n-]2)c1 ZINC000103620917 1174683216 /nfs/dbraw/zinc/68/32/16/1174683216.db2.gz HOFZHSLQYWRIMJ-LLVKDONJSA-N -1 1 274.328 1.267 20 0 CDADMM CN(C[C@H]1CCCCO1)c1ccnc(-c2nn[n-]n2)c1 ZINC000103620917 1174683219 /nfs/dbraw/zinc/68/32/19/1174683219.db2.gz HOFZHSLQYWRIMJ-LLVKDONJSA-N -1 1 274.328 1.267 20 0 CDADMM Cn1nccc1CN1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001601040053 1174712322 /nfs/dbraw/zinc/71/23/22/1174712322.db2.gz YTGSGAXVMGETCG-VIFPVBQESA-N -1 1 292.364 1.564 20 0 CDADMM N[C@@H](c1cn(C2(C(=O)[O-])CC2)nn1)c1ccc(F)cc1 ZINC001601177275 1174773634 /nfs/dbraw/zinc/77/36/34/1174773634.db2.gz ZXOGALURJPWGCO-LLVKDONJSA-N -1 1 276.271 1.039 20 0 CDADMM Nc1ccc(CN2CCOc3ccccc3[C@@H]2C(=O)[O-])cn1 ZINC001601215670 1174792958 /nfs/dbraw/zinc/79/29/58/1174792958.db2.gz FQMIEARCGYCSTQ-OAHLLOKOSA-N -1 1 299.330 1.684 20 0 CDADMM Nc1ccnc2c1CN(Cc1cccc(C(=O)[O-])n1)CC2 ZINC001601219161 1174795499 /nfs/dbraw/zinc/79/54/99/1174795499.db2.gz YEOLGTJPYFMHPE-UHFFFAOYSA-N -1 1 284.319 1.315 20 0 CDADMM O=C([O-])[C@@]1(O)CCN(Cc2cnc([C@H]3CCCO3)s2)C1 ZINC001601723223 1174969234 /nfs/dbraw/zinc/96/92/34/1174969234.db2.gz DDVMVIDZNUJCOF-ZWNOBZJWSA-N -1 1 298.364 1.016 20 0 CDADMM O=C([O-])C12CC(C1)C[N@H+]2Cc1nnc(-c2ccccc2)o1 ZINC001601728041 1174970580 /nfs/dbraw/zinc/97/05/80/1174970580.db2.gz FLGJRNVQFABMQL-UHFFFAOYSA-N -1 1 285.303 1.786 20 0 CDADMM O=C([O-])C12CC(C1)CN2Cc1nnc(-c2ccccc2)o1 ZINC001601728041 1174970584 /nfs/dbraw/zinc/97/05/84/1174970584.db2.gz FLGJRNVQFABMQL-UHFFFAOYSA-N -1 1 285.303 1.786 20 0 CDADMM O=C([O-])[C@@H]1[C@@H](CN2CCc3ncsc3C2)C1(F)F ZINC001601748919 1174984551 /nfs/dbraw/zinc/98/45/51/1174984551.db2.gz OCYATWQNVDQHSS-MUWHJKNJSA-N -1 1 274.292 1.467 20 0 CDADMM O=C([O-])[C@H]1CSCCN(Cc2cncc(Cl)c2)C1 ZINC001601857713 1175040482 /nfs/dbraw/zinc/04/04/82/1175040482.db2.gz UAYGSVBJWIUUKU-SNVBAGLBSA-N -1 1 286.784 1.985 20 0 CDADMM O=C([O-])Cc1c[nH]n([C@@H]2CCOC3(CCCC3)C2)c1=O ZINC001601941445 1175076738 /nfs/dbraw/zinc/07/67/38/1175076738.db2.gz SEHZCHIAVDSCEM-GHMZBOCLSA-N -1 1 280.324 1.397 20 0 CDADMM O=C([O-])COc1cccc(NC(=O)CCc2cnc[nH]2)c1 ZINC001602093064 1175128996 /nfs/dbraw/zinc/12/89/96/1175128996.db2.gz SRIMRFKBFGPBHB-UHFFFAOYSA-N -1 1 289.291 1.444 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2cc(C(F)(F)F)n[nH]2)on1 ZINC001602247788 1175180220 /nfs/dbraw/zinc/18/02/20/1175180220.db2.gz FWFGKDKPARIRRO-UHFFFAOYSA-N -1 1 290.157 1.367 20 0 CDADMM O=C([O-])c1cc(CN2CCC(C3(O)CC3)CC2)on1 ZINC001602256124 1175183019 /nfs/dbraw/zinc/18/30/19/1175183019.db2.gz DKLFLECMCDFMTG-UHFFFAOYSA-N -1 1 266.297 1.110 20 0 CDADMM O=C([O-])c1ccc(C(=O)OCc2ccc3[nH]nnc3c2)o1 ZINC001602328793 1175207974 /nfs/dbraw/zinc/20/79/74/1175207974.db2.gz UESLOCVSBMUJIC-UHFFFAOYSA-N -1 1 287.231 1.606 20 0 CDADMM O=C([O-])c1ccc(C(=O)OCc2ccc3nn[nH]c3c2)o1 ZINC001602328793 1175207978 /nfs/dbraw/zinc/20/79/78/1175207978.db2.gz UESLOCVSBMUJIC-UHFFFAOYSA-N -1 1 287.231 1.606 20 0 CDADMM O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2C(=O)[O-])s1 ZINC001602337214 1175212430 /nfs/dbraw/zinc/21/24/30/1175212430.db2.gz WVSBCXACELRPIB-QMMMGPOBSA-N -1 1 255.295 1.495 20 0 CDADMM O=C([O-])c1ccc(C[N@@H+]2CCC[C@H]2C(=O)[O-])s1 ZINC001602337214 1175212435 /nfs/dbraw/zinc/21/24/35/1175212435.db2.gz WVSBCXACELRPIB-QMMMGPOBSA-N -1 1 255.295 1.495 20 0 CDADMM O=C([O-])c1ccc2c(c1)CC[N@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001602415859 1175233819 /nfs/dbraw/zinc/23/38/19/1175233819.db2.gz JQZNBFRBKGWGQH-AWEZNQCLSA-N -1 1 298.346 1.522 20 0 CDADMM O=C([O-])c1cnc(NC[C@H](O)c2cnc[nH]2)c(Cl)c1 ZINC001602530635 1175275330 /nfs/dbraw/zinc/27/53/30/1175275330.db2.gz QTTQBSYPBYXJMZ-VIFPVBQESA-N -1 1 282.687 1.302 20 0 CDADMM O=C([O-])c1n[nH]c2c1CN(CCn1cc(Cl)cn1)CC2 ZINC001602567601 1175300075 /nfs/dbraw/zinc/30/00/75/1175300075.db2.gz TXARTQCHQAGTJW-UHFFFAOYSA-N -1 1 295.730 1.016 20 0 CDADMM C/C(=C/C(=O)[O-])CN1CCN(Cc2cccc(O)c2)CC1 ZINC001602957565 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ZINC000736795637 575748979 /nfs/dbraw/zinc/74/89/79/575748979.db2.gz WTFZGCHTNXQWBO-UHFFFAOYSA-N -1 1 281.323 1.656 20 0 CDADMM CN(CC1CC1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736795637 575748981 /nfs/dbraw/zinc/74/89/81/575748981.db2.gz WTFZGCHTNXQWBO-UHFFFAOYSA-N -1 1 281.323 1.656 20 0 CDADMM O=C([O-])C1(NC(=O)[C@@H]2CCCc3[nH]ncc32)CCCCC1 ZINC000772862180 575759579 /nfs/dbraw/zinc/75/95/79/575759579.db2.gz TUWYYXUYYZERSJ-SNVBAGLBSA-N -1 1 291.351 1.733 20 0 CDADMM CCCCO[C@@H](C)C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773157125 575786464 /nfs/dbraw/zinc/78/64/64/575786464.db2.gz GHLFFPDRJSYNOF-UWVGGRQHSA-N -1 1 299.400 1.021 20 0 CDADMM O=C(CCNC(=O)Cc1ccccc1)[N-]Oc1ccccc1 ZINC000773465805 575813216 /nfs/dbraw/zinc/81/32/16/575813216.db2.gz IRBVLUTYTBUUTJ-UHFFFAOYSA-N -1 1 298.342 1.846 20 0 CDADMM O=C(COC(=O)c1nccs1)[N-]C(=O)c1ccccc1 ZINC000773505138 575817029 /nfs/dbraw/zinc/81/70/29/575817029.db2.gz PDXWPWWELAZDBO-UHFFFAOYSA-N -1 1 290.300 1.257 20 0 CDADMM CS[C@@H](C(=O)OCc1nn[n-]n1)c1ccccc1 ZINC000737171002 575837084 /nfs/dbraw/zinc/83/70/84/575837084.db2.gz MQBGDEKLCLEZOH-SNVBAGLBSA-N -1 1 264.310 1.347 20 0 CDADMM O=C(Nc1ccccc1O)c1ccc2n[n-]c(=S)n2c1 ZINC000773851475 575841404 /nfs/dbraw/zinc/84/14/04/575841404.db2.gz MQZVXUSKAMYERM-UHFFFAOYSA-N -1 1 286.316 1.976 20 0 CDADMM CN(C(=O)c1ccc2n[n-]c(=S)n2c1)c1cnn(C)c1 ZINC000773995062 575847210 /nfs/dbraw/zinc/84/72/10/575847210.db2.gz SYAZNRJFDZMBDQ-UHFFFAOYSA-N -1 1 288.336 1.028 20 0 CDADMM CN(C)C(=O)C1CCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000737347696 575944632 /nfs/dbraw/zinc/94/46/32/575944632.db2.gz JYKKQIKSAQGRIH-UHFFFAOYSA-N -1 1 280.324 1.278 20 0 CDADMM Clc1ccc(NC[C@@H]2CCCCO2)nc1-c1nnn[n-]1 ZINC000737576187 575995431 /nfs/dbraw/zinc/99/54/31/575995431.db2.gz XPBZJFIXUYTSFP-QMMMGPOBSA-N -1 1 294.746 1.896 20 0 CDADMM Clc1ccc(NC[C@@H]2CCCCO2)nc1-c1nn[n-]n1 ZINC000737576187 575995432 /nfs/dbraw/zinc/99/54/32/575995432.db2.gz XPBZJFIXUYTSFP-QMMMGPOBSA-N -1 1 294.746 1.896 20 0 CDADMM 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CDADMM c1cc(-c2nn[n-]n2)ncc1-c1nc(C[C@@H]2CCCO2)no1 ZINC000738411348 576069817 /nfs/dbraw/zinc/06/98/17/576069817.db2.gz BAXVVXYSYUIOOK-VIFPVBQESA-N -1 1 299.294 1.033 20 0 CDADMM O=C([O-])CCCN1CCN(c2cccc(F)c2F)CC1 ZINC000738576321 576089999 /nfs/dbraw/zinc/08/99/99/576089999.db2.gz GKRGCAOURDIPFW-UHFFFAOYSA-N -1 1 284.306 1.952 20 0 CDADMM O=C([O-])Nc1cccc(OS(=O)(=O)c2c[nH]cn2)c1 ZINC000738669392 576101894 /nfs/dbraw/zinc/10/18/94/576101894.db2.gz LBFQYJGPYRXNDJ-UHFFFAOYSA-N -1 1 283.265 1.267 20 0 CDADMM C[C@@H](NCC(=O)Nc1cccc2ccccc21)C(=O)[O-] ZINC000739032448 576152689 /nfs/dbraw/zinc/15/26/89/576152689.db2.gz MPQMFGJGTBCDNX-SNVBAGLBSA-N -1 1 272.304 1.841 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CCCC[C@H]1C1OCCO1 ZINC000767935536 576240103 /nfs/dbraw/zinc/24/01/03/576240103.db2.gz SDAGBLOONZNLNV-LBPRGKRZSA-N -1 1 295.310 1.899 20 0 CDADMM O=C([O-])CSCCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000739849632 576390280 /nfs/dbraw/zinc/39/02/80/576390280.db2.gz OJPRYXBLXRALQK-UHFFFAOYSA-N -1 1 279.321 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/nfs/dbraw/zinc/62/25/04/618622504.db2.gz JOOBSNLVACIIMF-HTRCEHHLSA-N -1 1 260.746 1.949 20 0 CDADMM COCCN(CC(=O)[O-])Cc1[nH]nc2ccccc21 ZINC000820723415 598118155 /nfs/dbraw/zinc/11/81/55/598118155.db2.gz ALVROJIKWOVPEA-UHFFFAOYSA-N -1 1 263.297 1.096 20 0 CDADMM CN(c1cnc(-c2nnn[n-]2)cn1)C1CCCCC1 ZINC000095295456 598384028 /nfs/dbraw/zinc/38/40/28/598384028.db2.gz XMUINAIZCAXNBG-UHFFFAOYSA-N -1 1 259.317 1.426 20 0 CDADMM CN(c1cnc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC000095295456 598384029 /nfs/dbraw/zinc/38/40/29/598384029.db2.gz XMUINAIZCAXNBG-UHFFFAOYSA-N -1 1 259.317 1.426 20 0 CDADMM COCc1cccc(Nc2cnc(-c3nnn[n-]3)cn2)c1 ZINC000095298388 598384843 /nfs/dbraw/zinc/38/48/43/598384843.db2.gz BVTZEIKHTWQQDB-UHFFFAOYSA-N -1 1 283.295 1.547 20 0 CDADMM COCc1cccc(Nc2cnc(-c3nn[n-]n3)cn2)c1 ZINC000095298388 598384844 /nfs/dbraw/zinc/38/48/44/598384844.db2.gz BVTZEIKHTWQQDB-UHFFFAOYSA-N -1 1 283.295 1.547 20 0 CDADMM O=C([O-])c1cnc(CN2CCC[C@]3(CC3(F)F)C2)cn1 ZINC001602519528 1175267012 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/nfs/dbraw/zinc/43/54/65/608435465.db2.gz GBIQVYSHMWHAIP-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM Cc1ccc(C)c(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000019470763 599777405 /nfs/dbraw/zinc/77/74/05/599777405.db2.gz IFPKETNHPKLTFA-ZDUSSCGKSA-N -1 1 287.319 1.452 20 0 CDADMM O=C([O-])c1cnoc1CN1CCS[C@H]2COCC[C@H]21 ZINC001602545188 1175284436 /nfs/dbraw/zinc/28/44/36/1175284436.db2.gz BNTGWCOOSZBLMH-KOLCDFICSA-N -1 1 284.337 1.079 20 0 CDADMM CCC[C@](C)(NCC(=O)N[C@H](C)C(C)C)C(=O)[O-] ZINC000036808835 600154903 /nfs/dbraw/zinc/15/49/03/600154903.db2.gz LXEVMYOFIJIMKG-MFKMUULPSA-N -1 1 258.362 1.380 20 0 CDADMM CC(C)(C)NC(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405407280 600310631 /nfs/dbraw/zinc/31/06/31/600310631.db2.gz JYQUJMWIDBAJDO-SNVBAGLBSA-N -1 1 268.357 1.088 20 0 CDADMM CCOc1ccc(NC(=O)CN(C)C[C@H](C)C(=O)[O-])cc1 ZINC000042707118 600364556 /nfs/dbraw/zinc/36/45/56/600364556.db2.gz XBOBVWOSYNOVRU-NSHDSACASA-N -1 1 294.351 1.676 20 0 CDADMM 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Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC001605573318 1163612820 /nfs/dbraw/zinc/61/28/20/1163612820.db2.gz YCRQZTNYTVLGRH-OPRDCNLKSA-N -1 1 271.328 1.566 20 0 CDADMM CCO[C@@H]1C[C@@H](NCc2cc(C(=O)[O-])no2)[C@@H]1SC ZINC001605651812 1163634818 /nfs/dbraw/zinc/63/48/18/1163634818.db2.gz WYEKKFPMAKSMFI-IEBDPFPHSA-N -1 1 286.353 1.371 20 0 CDADMM Cc1ccc(CNc2ncncc2-c2nn[n-]n2)c(C)c1 ZINC001605857931 1163692026 /nfs/dbraw/zinc/69/20/26/1163692026.db2.gz CAYUJXSTVOBONE-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1ccc(N2C[C@H]3COC[C@]3(C)C2)c(-c2nnn[n-]2)n1 ZINC001605865329 1163695670 /nfs/dbraw/zinc/69/56/70/1163695670.db2.gz VUVJQYZGOBXEOB-HZMBPMFUSA-N -1 1 286.339 1.043 20 0 CDADMM Cc1ccc(N2C[C@H]3COC[C@]3(C)C2)c(-c2nn[n-]n2)n1 ZINC001605865329 1163695673 /nfs/dbraw/zinc/69/56/73/1163695673.db2.gz VUVJQYZGOBXEOB-HZMBPMFUSA-N -1 1 286.339 1.043 20 0 CDADMM Cc1ccc(NCCc2cscn2)c(-c2nnn[n-]2)n1 ZINC001605874918 1163702295 /nfs/dbraw/zinc/70/22/95/1163702295.db2.gz UQRPPYPNLRJBIV-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM Cc1ccc(NCCc2cscn2)c(-c2nn[n-]n2)n1 ZINC001605874918 1163702302 /nfs/dbraw/zinc/70/23/02/1163702302.db2.gz UQRPPYPNLRJBIV-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM Cc1cccc(C)c1CN(C)c1cc(-c2nnn[n-]2)ncn1 ZINC001605907447 1163711706 /nfs/dbraw/zinc/71/17/06/1163711706.db2.gz JTPUEHBDWHXRRG-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1cccc(C)c1CN(C)c1cc(-c2nn[n-]n2)ncn1 ZINC001605907447 1163711711 /nfs/dbraw/zinc/71/17/11/1163711711.db2.gz JTPUEHBDWHXRRG-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccncc1CC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001605961019 1163730163 /nfs/dbraw/zinc/73/01/63/1163730163.db2.gz GHPGMJHIXPZKDJ-UHFFFAOYSA-N -1 1 295.306 1.146 20 0 CDADMM Cc1ccncc1CC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001605961019 1163730166 /nfs/dbraw/zinc/73/01/66/1163730166.db2.gz GHPGMJHIXPZKDJ-UHFFFAOYSA-N -1 1 295.306 1.146 20 0 CDADMM Cc1nn(C)cc1[C@@H](C)Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001606059556 1163758533 /nfs/dbraw/zinc/75/85/33/1163758533.db2.gz AEEPVAZHNZIUNJ-SSDOTTSWSA-N -1 1 299.342 1.180 20 0 CDADMM Cc1nn(C)cc1[C@@H](C)Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001606059556 1163758538 /nfs/dbraw/zinc/75/85/38/1163758538.db2.gz AEEPVAZHNZIUNJ-SSDOTTSWSA-N -1 1 299.342 1.180 20 0 CDADMM CN(CC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)C1CCC1 ZINC001606083058 1163768877 /nfs/dbraw/zinc/76/88/77/1163768877.db2.gz XGQLQOQVISMHJA-DNIRFERGSA-N -1 1 280.368 1.086 20 0 CDADMM Cc1nsc(N2Cc3ccncc3C2)c1-c1nn[n-]n1 ZINC001606148408 1163786860 /nfs/dbraw/zinc/78/68/60/1163786860.db2.gz HXTLHXOWBVIYRC-UHFFFAOYSA-N -1 1 285.336 1.547 20 0 CDADMM Cc1[nH]sc(=NOC[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC001606162742 1163795250 /nfs/dbraw/zinc/79/52/50/1163795250.db2.gz LEKLKOUULCSHIJ-SSDOTTSWSA-N -1 1 282.329 1.012 20 0 CDADMM Cc1oncc1CNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001606180570 1163799507 /nfs/dbraw/zinc/79/95/07/1163799507.db2.gz PJWISEHUTNBZSD-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1oncc1CNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001606180570 1163799511 /nfs/dbraw/zinc/79/95/11/1163799511.db2.gz PJWISEHUTNBZSD-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM FC1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC001606300811 1163845541 /nfs/dbraw/zinc/84/55/41/1163845541.db2.gz XXGCMSBZTWBENH-UHFFFAOYSA-N -1 1 299.313 1.748 20 0 CDADMM FC1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC001606300811 1163845545 /nfs/dbraw/zinc/84/55/45/1163845545.db2.gz XXGCMSBZTWBENH-UHFFFAOYSA-N -1 1 299.313 1.748 20 0 CDADMM FC1(F)CC(Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001606301297 1163849497 /nfs/dbraw/zinc/84/94/97/1163849497.db2.gz RWSNYCAXVHQLIN-UHFFFAOYSA-N -1 1 293.281 1.744 20 0 CDADMM FC1(F)CC(Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001606301297 1163849504 /nfs/dbraw/zinc/84/95/04/1163849504.db2.gz RWSNYCAXVHQLIN-UHFFFAOYSA-N -1 1 293.281 1.744 20 0 CDADMM Fc1ccc(CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001606319661 1163857895 /nfs/dbraw/zinc/85/78/95/1163857895.db2.gz YOUHYAUZRNYVIS-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM Fc1ccc(CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001606319661 1163857899 /nfs/dbraw/zinc/85/78/99/1163857899.db2.gz YOUHYAUZRNYVIS-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM Fc1cccc(OCc2ncccn2)c1-c1nnn[n-]1 ZINC001606328722 1163861554 /nfs/dbraw/zinc/86/15/54/1163861554.db2.gz FHSVERWFLGNXQS-UHFFFAOYSA-N -1 1 272.243 1.375 20 0 CDADMM Fc1cccc(OCc2ncccn2)c1-c1nn[n-]n1 ZINC001606328722 1163861561 /nfs/dbraw/zinc/86/15/61/1163861561.db2.gz FHSVERWFLGNXQS-UHFFFAOYSA-N -1 1 272.243 1.375 20 0 CDADMM O=C(N[C@H]1CCCC12CC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001606667497 1163954008 /nfs/dbraw/zinc/95/40/08/1163954008.db2.gz PGOCZUXEWBGOMB-NSHDSACASA-N -1 1 284.323 1.324 20 0 CDADMM O=C(N[C@H]1CCCC12CC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001606667497 1163954011 /nfs/dbraw/zinc/95/40/11/1163954011.db2.gz PGOCZUXEWBGOMB-NSHDSACASA-N -1 1 284.323 1.324 20 0 CDADMM CO[C@@]1(C(=O)[O-])CCN(Cc2ccnn2C2CCC2)C1 ZINC001606705342 1163965289 /nfs/dbraw/zinc/96/52/89/1163965289.db2.gz AMHUOAYOSHKNOZ-AWEZNQCLSA-N -1 1 279.340 1.284 20 0 CDADMM O=C(NCC[C@@H]1CC=CCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001606761978 1163985160 /nfs/dbraw/zinc/98/51/60/1163985160.db2.gz RMMAYFVQQYFOFB-SNVBAGLBSA-N -1 1 287.323 1.936 20 0 CDADMM O=C(NCC[C@@H]1CC=CCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001606761978 1163985167 /nfs/dbraw/zinc/98/51/67/1163985167.db2.gz RMMAYFVQQYFOFB-SNVBAGLBSA-N -1 1 287.323 1.936 20 0 CDADMM O=C(N[C@@H]1C[C@H]1c1ccco1)c1coc(-c2nnn[n-]2)c1 ZINC001606876014 1164023126 /nfs/dbraw/zinc/02/31/26/1164023126.db2.gz JFIBZGUNUNQJQF-RKDXNWHRSA-N -1 1 285.263 1.339 20 0 CDADMM O=C(N[C@@H]1C[C@H]1c1ccco1)c1coc(-c2nn[n-]n2)c1 ZINC001606876014 1164023130 /nfs/dbraw/zinc/02/31/30/1164023130.db2.gz JFIBZGUNUNQJQF-RKDXNWHRSA-N -1 1 285.263 1.339 20 0 CDADMM COCc1ccc(CN[C@@H](C(=O)[O-])c2ccnn2C)cc1 ZINC001606957195 1164039589 /nfs/dbraw/zinc/03/95/89/1164039589.db2.gz YRJCIZNRETVORV-CQSZACIVSA-N -1 1 289.335 1.482 20 0 CDADMM O[C@]1(C2CC2)CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001607098713 1164079867 /nfs/dbraw/zinc/07/98/67/1164079867.db2.gz UOPWYRMSZVYIQN-CQSZACIVSA-N -1 1 286.339 1.003 20 0 CDADMM O[C@]1(C2CC2)CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001607098713 1164079875 /nfs/dbraw/zinc/07/98/75/1164079875.db2.gz UOPWYRMSZVYIQN-CQSZACIVSA-N -1 1 286.339 1.003 20 0 CDADMM O[C@@H]1CCC[C@H](CSc2cccnc2-c2nnn[n-]2)C1 ZINC001607099523 1164081177 /nfs/dbraw/zinc/08/11/77/1164081177.db2.gz BYVWOLYVHFTYAE-VHSXEESVSA-N -1 1 291.380 1.905 20 0 CDADMM O[C@@H]1CCC[C@H](CSc2cccnc2-c2nn[n-]n2)C1 ZINC001607099523 1164081181 /nfs/dbraw/zinc/08/11/81/1164081181.db2.gz BYVWOLYVHFTYAE-VHSXEESVSA-N -1 1 291.380 1.905 20 0 CDADMM OCCCCCSc1cccnc1-c1nnn[n-]1 ZINC001607106521 1164086856 /nfs/dbraw/zinc/08/68/56/1164086856.db2.gz WKJZAPAEVOIZPG-UHFFFAOYSA-N -1 1 265.342 1.516 20 0 CDADMM OCCCCCSc1cccnc1-c1nn[n-]n1 ZINC001607106521 1164086864 /nfs/dbraw/zinc/08/68/64/1164086864.db2.gz WKJZAPAEVOIZPG-UHFFFAOYSA-N -1 1 265.342 1.516 20 0 CDADMM c1c[nH]c([C@H]2CCCN2Cc2ccc(-c3nnn[n-]3)o2)n1 ZINC001607114924 1164096367 /nfs/dbraw/zinc/09/63/67/1164096367.db2.gz WAFVUBOVNZWCFP-SNVBAGLBSA-N -1 1 285.311 1.520 20 0 CDADMM c1c[nH]c([C@H]2CCCN2Cc2ccc(-c3nn[n-]n3)o2)n1 ZINC001607114924 1164096374 /nfs/dbraw/zinc/09/63/74/1164096374.db2.gz WAFVUBOVNZWCFP-SNVBAGLBSA-N -1 1 285.311 1.520 20 0 CDADMM c1[nH]nc2cc(Oc3ccnc(-c4nnn[n-]4)c3)ccc12 ZINC001607126588 1164107807 /nfs/dbraw/zinc/10/78/07/1164107807.db2.gz YJDSXTABSDYSIF-UHFFFAOYSA-N -1 1 279.263 1.930 20 0 CDADMM c1[nH]nc2cc(Oc3ccnc(-c4nn[n-]n4)c3)ccc12 ZINC001607126588 1164107813 /nfs/dbraw/zinc/10/78/13/1164107813.db2.gz YJDSXTABSDYSIF-UHFFFAOYSA-N -1 1 279.263 1.930 20 0 CDADMM Cn1ncc([N-]S(=O)(=O)CCOCC2CC2)c1C1CC1 ZINC000818048497 1164188266 /nfs/dbraw/zinc/18/82/66/1164188266.db2.gz LAFIKQPBQXLRCI-UHFFFAOYSA-N -1 1 299.396 1.466 20 0 CDADMM C[C@H]1CN(Cc2ccc3c(c2)CCC3)C[C@@H](C(=O)[O-])O1 ZINC001607477019 1164197086 /nfs/dbraw/zinc/19/70/86/1164197086.db2.gz QSMQAIVHXHGEGY-NHYWBVRUSA-N -1 1 275.348 1.849 20 0 CDADMM CSc1nc(NC(=O)c2ccc(=O)[nH]c2)cc(=O)[n-]1 ZINC001147143540 1164269724 /nfs/dbraw/zinc/26/97/24/1164269724.db2.gz FGNDWGDELXWHFI-UHFFFAOYSA-N -1 1 278.293 1.257 20 0 CDADMM Cc1ccc2[nH]nnc2c1NC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001607827963 1164307293 /nfs/dbraw/zinc/30/72/93/1164307293.db2.gz BEXLCXBJCWAXHO-UHFFFAOYSA-N -1 1 285.263 1.545 20 0 CDADMM Cc1cccc2nc(CNC(=O)c3ccc(C(=O)[O-])[nH]3)[nH]c21 ZINC001607866180 1164315019 /nfs/dbraw/zinc/31/50/19/1164315019.db2.gz KYSSHKWEADFPKZ-UHFFFAOYSA-N -1 1 298.302 1.828 20 0 CDADMM Cc1ccoc1CC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001607898988 1164327090 /nfs/dbraw/zinc/32/70/90/1164327090.db2.gz JWSZWPCLFCNFSB-LBPRGKRZSA-N -1 1 294.351 1.138 20 0 CDADMM Cn1cc(CN2CCCC[C@@H]2C(=O)[O-])c(Cl)n1 ZINC001608112891 1164413400 /nfs/dbraw/zinc/41/34/00/1164413400.db2.gz RIONGDJGHYMMKU-SECBINFHSA-N -1 1 257.721 1.513 20 0 CDADMM Cn1cc(NC(=O)C(C)(C)c2cnc[nH]2)cc1C(=O)[O-] ZINC001608115984 1164414815 /nfs/dbraw/zinc/41/48/15/1164414815.db2.gz FGQDBAJBFQMGLK-UHFFFAOYSA-N -1 1 276.296 1.363 20 0 CDADMM NC(=O)C[C@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccccc1 ZINC001608236653 1164462959 /nfs/dbraw/zinc/46/29/59/1164462959.db2.gz AKTLGHBJGPDDCX-LBPRGKRZSA-N -1 1 287.319 1.419 20 0 CDADMM O=C([O-])c1cc(NC(=O)Cc2cnc[nH]2)cc2[nH]ccc21 ZINC001608370054 1164500782 /nfs/dbraw/zinc/50/07/82/1164500782.db2.gz ULUYAXGUZICKNY-UHFFFAOYSA-N -1 1 284.275 1.770 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2nc(C3CCC3)n[nH]2)ccn1 ZINC001608525151 1164531282 /nfs/dbraw/zinc/53/12/82/1164531282.db2.gz OPMQXIRBOHWVOI-UHFFFAOYSA-N -1 1 287.279 1.418 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2n[nH]c(C3CCC3)n2)ccn1 ZINC001608525151 1164531286 /nfs/dbraw/zinc/53/12/86/1164531286.db2.gz OPMQXIRBOHWVOI-UHFFFAOYSA-N -1 1 287.279 1.418 20 0 CDADMM O=C([O-])C12CC(C1)CN2Cc1ccncc1Br ZINC001608581912 1164555335 /nfs/dbraw/zinc/55/53/35/1164555335.db2.gz KYBNWIKLMACXFL-UHFFFAOYSA-N -1 1 297.152 1.893 20 0 CDADMM O=C([O-])[C@H]1[C@@H](O)CCCN1Cc1ccc2c(c1)CCC2 ZINC001608594409 1164562164 /nfs/dbraw/zinc/56/21/64/1164562164.db2.gz FXAAZTJUNCTQNF-LSDHHAIUSA-N -1 1 275.348 1.585 20 0 CDADMM O=C([O-])[C@@]1(F)CCN(C(=O)c2c(O)cccc2F)C1 ZINC001609027223 1164733421 /nfs/dbraw/zinc/73/34/21/1164733421.db2.gz HEUJXQXJJOLZIK-GFCCVEGCSA-N -1 1 271.219 1.170 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)[C@H]3CCC(=O)C3)[nH]c21 ZINC001609035322 1164736816 /nfs/dbraw/zinc/73/68/16/1164736816.db2.gz DUUZOKSGGPPKLN-ZETCQYMHSA-N -1 1 287.275 1.569 20 0 CDADMM CC(C)CC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001609094355 1164766968 /nfs/dbraw/zinc/76/69/68/1164766968.db2.gz UYBAMFHQXRWHEE-VIFPVBQESA-N -1 1 261.333 1.893 20 0 CDADMM CC(C)CC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001609094355 1164766976 /nfs/dbraw/zinc/76/69/76/1164766976.db2.gz UYBAMFHQXRWHEE-VIFPVBQESA-N -1 1 261.333 1.893 20 0 CDADMM CC(C)CN(C(=O)c1ccnc(-c2nnn[n-]2)c1)C(C)C ZINC001609095111 1164767159 /nfs/dbraw/zinc/76/71/59/1164767159.db2.gz UZADHJCMIKMSRE-UHFFFAOYSA-N -1 1 288.355 1.768 20 0 CDADMM CC(C)CN(C(=O)c1ccnc(-c2nn[n-]n2)c1)C(C)C ZINC001609095111 1164767162 /nfs/dbraw/zinc/76/71/62/1164767162.db2.gz UZADHJCMIKMSRE-UHFFFAOYSA-N -1 1 288.355 1.768 20 0 CDADMM C[C@H](COC(=O)c1ccnc(-c2nnn[n-]2)c1)CC(F)F ZINC001609114735 1164777259 /nfs/dbraw/zinc/77/72/59/1164777259.db2.gz TYFCONLEKVDILZ-ZETCQYMHSA-N -1 1 297.265 1.710 20 0 CDADMM C[C@H](COC(=O)c1ccnc(-c2nn[n-]n2)c1)CC(F)F ZINC001609114735 1164777265 /nfs/dbraw/zinc/77/72/65/1164777265.db2.gz TYFCONLEKVDILZ-ZETCQYMHSA-N -1 1 297.265 1.710 20 0 CDADMM C[C@H](Cc1cccs1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001609115707 1164777837 /nfs/dbraw/zinc/77/78/37/1164777837.db2.gz HLYZOOOEUPJETL-MRVPVSSYSA-N -1 1 287.352 1.761 20 0 CDADMM C[C@H](Cc1cccs1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001609115707 1164777843 /nfs/dbraw/zinc/77/78/43/1164777843.db2.gz HLYZOOOEUPJETL-MRVPVSSYSA-N -1 1 287.352 1.761 20 0 CDADMM CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609199374 1164839587 /nfs/dbraw/zinc/83/95/87/1164839587.db2.gz VIUQUSAKEKXSNN-JOYOIKCWSA-N -1 1 286.339 1.522 20 0 CDADMM CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609199374 1164839593 /nfs/dbraw/zinc/83/95/93/1164839593.db2.gz VIUQUSAKEKXSNN-JOYOIKCWSA-N -1 1 286.339 1.522 20 0 CDADMM CO[C@H](C)CN(C)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609308159 1164885741 /nfs/dbraw/zinc/88/57/41/1164885741.db2.gz FWILHKCQNZNZIF-SSDOTTSWSA-N -1 1 281.341 1.035 20 0 CDADMM CO[C@@H](CNc1cc(-c2nnn[n-]2)ncn1)c1ccccc1 ZINC001609310193 1164891217 /nfs/dbraw/zinc/89/12/17/1164891217.db2.gz DCZAHOGEJTVENA-LBPRGKRZSA-N -1 1 297.322 1.456 20 0 CDADMM CO[C@@H](CNc1cc(-c2nn[n-]n2)ncn1)c1ccccc1 ZINC001609310193 1164891230 /nfs/dbraw/zinc/89/12/30/1164891230.db2.gz DCZAHOGEJTVENA-LBPRGKRZSA-N -1 1 297.322 1.456 20 0 CDADMM COCCc1ccc(Oc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001609330134 1164904147 /nfs/dbraw/zinc/90/41/47/1164904147.db2.gz XZIATMGHBQBIKL-UHFFFAOYSA-N -1 1 298.306 1.638 20 0 CDADMM COCCc1ccc(Oc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001609330134 1164904151 /nfs/dbraw/zinc/90/41/51/1164904151.db2.gz XZIATMGHBQBIKL-UHFFFAOYSA-N -1 1 298.306 1.638 20 0 CDADMM Cc1c([C@H](C)Nc2cccc(-c3nnn[n-]3)n2)cnn1C ZINC001609382426 1164919521 /nfs/dbraw/zinc/91/95/21/1164919521.db2.gz BQIJXDAFIDXOND-QMMMGPOBSA-N -1 1 284.327 1.477 20 0 CDADMM Cc1c([C@H](C)Nc2cccc(-c3nn[n-]n3)n2)cnn1C ZINC001609382426 1164919530 /nfs/dbraw/zinc/91/95/30/1164919530.db2.gz BQIJXDAFIDXOND-QMMMGPOBSA-N -1 1 284.327 1.477 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCC[C@H]2F)n1 ZINC001609392941 1164925278 /nfs/dbraw/zinc/92/52/78/1164925278.db2.gz OKKMAGZELACBAU-RKDXNWHRSA-N -1 1 277.307 1.658 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCC[C@H]2F)n1 ZINC001609392941 1164925285 /nfs/dbraw/zinc/92/52/85/1164925285.db2.gz OKKMAGZELACBAU-RKDXNWHRSA-N -1 1 277.307 1.658 20 0 CDADMM Cc1nsc(NCC2CCC2)c1-c1nn[n-]n1 ZINC001609466437 1164961352 /nfs/dbraw/zinc/96/13/52/1164961352.db2.gz VOXQDSOBDWJJHH-UHFFFAOYSA-N -1 1 250.331 1.844 20 0 CDADMM O=C(Nc1cc(C2CC2)[nH]n1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609561393 1164990417 /nfs/dbraw/zinc/99/04/17/1164990417.db2.gz BOWZNNOIKIKYRS-UHFFFAOYSA-N -1 1 296.294 1.115 20 0 CDADMM O=C(Nc1cc(C2CC2)[nH]n1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609561393 1164990425 /nfs/dbraw/zinc/99/04/25/1164990425.db2.gz BOWZNNOIKIKYRS-UHFFFAOYSA-N -1 1 296.294 1.115 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1C[C@@H]2CCCC[C@H]2C1 ZINC001609582988 1164996522 /nfs/dbraw/zinc/99/65/22/1164996522.db2.gz LTRDZXATICRHLI-QWRGUYRKSA-N -1 1 298.350 1.524 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1C[C@@H]2CCCC[C@H]2C1 ZINC001609582988 1164996528 /nfs/dbraw/zinc/99/65/28/1164996528.db2.gz LTRDZXATICRHLI-QWRGUYRKSA-N -1 1 298.350 1.524 20 0 CDADMM O=Cc1ccc(Oc2ccncc2-c2nn[n-]n2)cc1 ZINC001609591512 1164998744 /nfs/dbraw/zinc/99/87/44/1164998744.db2.gz GAKMOZDOWLZCDO-UHFFFAOYSA-N -1 1 267.248 1.867 20 0 CDADMM O[C@@H](CNc1cc(-c2nnn[n-]2)ncn1)C1CCCCC1 ZINC001609606784 1165002716 /nfs/dbraw/zinc/00/27/16/1165002716.db2.gz XKQSAQZESMCEHH-NSHDSACASA-N -1 1 289.343 1.010 20 0 CDADMM O[C@@H](CNc1cc(-c2nn[n-]n2)ncn1)C1CCCCC1 ZINC001609606784 1165002727 /nfs/dbraw/zinc/00/27/27/1165002727.db2.gz XKQSAQZESMCEHH-NSHDSACASA-N -1 1 289.343 1.010 20 0 CDADMM c1cc(NCCO[C@@H]2CCCCO2)nc(-c2nnn[n-]2)c1 ZINC001609614632 1165009142 /nfs/dbraw/zinc/00/91/42/1165009142.db2.gz FVHOXXYAMNBNBK-GFCCVEGCSA-N -1 1 290.327 1.217 20 0 CDADMM c1cc(NCCO[C@@H]2CCCCO2)nc(-c2nn[n-]n2)c1 ZINC001609614632 1165009148 /nfs/dbraw/zinc/00/91/48/1165009148.db2.gz FVHOXXYAMNBNBK-GFCCVEGCSA-N -1 1 290.327 1.217 20 0 CDADMM c1coc([C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001609620098 1165014588 /nfs/dbraw/zinc/01/45/88/1165014588.db2.gz MOBQLENDFMRDRQ-SECBINFHSA-N -1 1 283.295 1.244 20 0 CDADMM c1coc([C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001609620098 1165014592 /nfs/dbraw/zinc/01/45/92/1165014592.db2.gz MOBQLENDFMRDRQ-SECBINFHSA-N -1 1 283.295 1.244 20 0 CDADMM CC(C)(C(=O)NOCCCC(=O)[O-])c1ccccc1 ZINC001609647727 1165026616 /nfs/dbraw/zinc/02/66/16/1165026616.db2.gz NFBRKVUVIVVALX-UHFFFAOYSA-N -1 1 265.309 1.877 20 0 CDADMM C[C@H](NCc1ncccn1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001609777504 1165077776 /nfs/dbraw/zinc/07/77/76/1165077776.db2.gz BNPCSPBDTSBDNW-GXTWGEPZSA-N -1 1 285.347 1.898 20 0 CDADMM CCC[C@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001609959063 1165163714 /nfs/dbraw/zinc/16/37/14/1165163714.db2.gz HSPDEPMQEYBJNQ-DRZSPHRISA-N -1 1 293.367 1.738 20 0 CDADMM O=C(Nc1ccnn1[C@H]1CCOC1)c1ccc([O-])c(F)c1 ZINC000888593477 1165378608 /nfs/dbraw/zinc/37/86/08/1165378608.db2.gz YQOHJWDDHOMGMJ-JTQLQIEISA-N -1 1 291.282 1.942 20 0 CDADMM NC(=O)C1(NCc2ccc(C(=O)[O-])cn2)CCCCC1 ZINC001610635338 1165388515 /nfs/dbraw/zinc/38/85/15/1165388515.db2.gz RLRPDLYGURJTTJ-UHFFFAOYSA-N -1 1 277.324 1.058 20 0 CDADMM O=C([O-])[C@H](NCC(=O)NCCC1CCCCC1)C1CC1 ZINC001610665557 1165401897 /nfs/dbraw/zinc/40/18/97/1165401897.db2.gz JKHSMIDMCKOHDU-CQSZACIVSA-N -1 1 282.384 1.526 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)c1cc(F)cc2nc[nH]c21 ZINC001610685850 1165407466 /nfs/dbraw/zinc/40/74/66/1165407466.db2.gz JYFJZCKRGUSSDR-PSASIEDQSA-N -1 1 291.282 1.685 20 0 CDADMM Cc1cc(F)c(CC(=O)Nc2c[n-][nH]c2=O)cc1F ZINC001611378967 1165491150 /nfs/dbraw/zinc/49/11/50/1165491150.db2.gz APYCNHRBJQNKNW-UHFFFAOYSA-N -1 1 267.235 1.883 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cccc2c1OCCO2 ZINC001611379967 1165491225 /nfs/dbraw/zinc/49/12/25/1165491225.db2.gz NOPHHLOABCPWFG-UHFFFAOYSA-N -1 1 261.237 1.139 20 0 CDADMM CCC(CC)(NC(=O)C1=CCCCO1)c1nn[n-]n1 ZINC001626904447 1165966184 /nfs/dbraw/zinc/96/61/84/1165966184.db2.gz NLGUITFCIJUTAO-UHFFFAOYSA-N -1 1 265.317 1.026 20 0 CDADMM CSc1nc([N-]C(=O)c2nc3cnccc3s2)n[nH]1 ZINC001631612470 1166289834 /nfs/dbraw/zinc/28/98/34/1166289834.db2.gz ONFWJZKEAXHIKM-UHFFFAOYSA-N -1 1 292.349 1.784 20 0 CDADMM CCC(CC)(NC(=O)c1ccoc1C)c1nn[n-]n1 ZINC000095284801 1166617297 /nfs/dbraw/zinc/61/72/97/1166617297.db2.gz GYDREOYVJIKXKB-UHFFFAOYSA-N -1 1 263.301 1.546 20 0 CDADMM Cc1nn(Cc2ccccc2)c(=O)c(-c2nn[n-]n2)c1C ZINC000095311915 1166619552 /nfs/dbraw/zinc/61/95/52/1166619552.db2.gz OUGIDBCOLWZBLR-UHFFFAOYSA-N -1 1 282.307 1.089 20 0 CDADMM Cc1noc(C2(NC(=O)c3[n-][nH]c4cc(=O)ccc3-4)CC2)n1 ZINC001155273320 1167113334 /nfs/dbraw/zinc/11/33/34/1167113334.db2.gz NCFUTEMGEBVMDP-UHFFFAOYSA-N -1 1 299.290 1.379 20 0 CDADMM Cc1ccc(CC(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)o1 ZINC001642557857 1167181842 /nfs/dbraw/zinc/18/18/42/1167181842.db2.gz JAZXNDZHEKTDRI-CQSZACIVSA-N -1 1 297.318 1.549 20 0 CDADMM CCOCCCC(=O)OCC(=O)c1ccc([O-])cc1O ZINC000058895482 1167266918 /nfs/dbraw/zinc/26/69/18/1167266918.db2.gz MHKUMSXAGCUTKH-UHFFFAOYSA-N -1 1 282.292 1.640 20 0 CDADMM COC(=O)C1=C(C)O[C@@H](CSc2ncc(C)c(=O)[n-]2)C1 ZINC001645944458 1167580105 /nfs/dbraw/zinc/58/01/05/1167580105.db2.gz ZURALBVFAYYTTK-SECBINFHSA-N -1 1 296.348 1.819 20 0 CDADMM O=C(OCc1nn[n-]n1)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC001646886996 1168226174 /nfs/dbraw/zinc/22/61/74/1168226174.db2.gz YUKVQONFUSABKB-OLZOCXBDSA-N -1 1 286.335 1.902 20 0 CDADMM Cc1ccc(C2(C(=O)N(C)c3nn[n-]n3)CCC2)cc1 ZINC001647397365 1168645585 /nfs/dbraw/zinc/64/55/85/1168645585.db2.gz BZASFZBDVLOCOY-UHFFFAOYSA-N -1 1 271.324 1.593 20 0 CDADMM C[C@@H]1c2ccccc2OCC[N@@H+]1C[C@H](O)CC(=O)[O-] ZINC001573660206 1170723332 /nfs/dbraw/zinc/72/33/32/1170723332.db2.gz IEQHKCCGBWUNRV-GHMZBOCLSA-N -1 1 265.309 1.278 20 0 CDADMM CO[C@@H](C)c1noc(CN2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])n1 ZINC001573948276 1170837162 /nfs/dbraw/zinc/83/71/62/1170837162.db2.gz ITGPFQIUSGXRGY-CKEKPRIKSA-N -1 1 281.312 1.215 20 0 CDADMM O=C([O-])c1n[n-]c(C[NH2+]Cc2cccc3c2NCCC3)n1 ZINC001574422618 1170978074 /nfs/dbraw/zinc/97/80/74/1170978074.db2.gz INRIAFABUBJPJF-UHFFFAOYSA-N -1 1 287.323 1.151 20 0 CDADMM Cc1cnccc1CCNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001581337122 1172602763 /nfs/dbraw/zinc/60/27/63/1172602763.db2.gz HVBQRSKGTQGVBE-UHFFFAOYSA-N -1 1 298.306 1.136 20 0 CDADMM Cc1cnccc1CCNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001581337122 1172602768 /nfs/dbraw/zinc/60/27/68/1172602768.db2.gz HVBQRSKGTQGVBE-UHFFFAOYSA-N -1 1 298.306 1.136 20 0 CDADMM Fc1ccc([C@@H]2C[C@H]2Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001581854281 1172625125 /nfs/dbraw/zinc/62/51/25/1172625125.db2.gz QORNHIZAFRRSIG-WDEREUQCSA-N -1 1 297.297 1.186 20 0 CDADMM COC[C@H](NC(=O)c1ccc([O-])cn1)c1ccco1 ZINC001587344572 1172981890 /nfs/dbraw/zinc/98/18/90/1172981890.db2.gz DHYGPBPFKMEQKL-NSHDSACASA-N -1 1 262.265 1.498 20 0 CDADMM CC(=O)c1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001588920992 1173113095 /nfs/dbraw/zinc/11/30/95/1173113095.db2.gz HSFSZSDVQWSDGL-UHFFFAOYSA-N -1 1 297.274 1.915 20 0 CDADMM CC(=O)c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001588920992 1173113100 /nfs/dbraw/zinc/11/31/00/1173113100.db2.gz HSFSZSDVQWSDGL-UHFFFAOYSA-N -1 1 297.274 1.915 20 0 CDADMM CC(C)(C)C1CCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001589104966 1173125000 /nfs/dbraw/zinc/12/50/00/1173125000.db2.gz LIKXYHFPOAWCCF-UHFFFAOYSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)(C)C1CCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001589104966 1173125002 /nfs/dbraw/zinc/12/50/02/1173125002.db2.gz LIKXYHFPOAWCCF-UHFFFAOYSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)(C)O[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001589198525 1173129422 /nfs/dbraw/zinc/12/94/22/1173129422.db2.gz YQJNCLKYDFEVPP-DTORHVGOSA-N -1 1 289.343 1.415 20 0 CDADMM CC(C)(C)O[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001589198525 1173129425 /nfs/dbraw/zinc/12/94/25/1173129425.db2.gz YQJNCLKYDFEVPP-DTORHVGOSA-N -1 1 289.343 1.415 20 0 CDADMM CC(C)[C@H](O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC001589480786 1173149593 /nfs/dbraw/zinc/14/95/93/1173149593.db2.gz VMLJLBKGFAEXID-CYBMUJFWSA-N -1 1 299.334 1.199 20 0 CDADMM CC(C)[C@@H]1C[C@H]1C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001589501296 1173152066 /nfs/dbraw/zinc/15/20/66/1173152066.db2.gz CDQKAAFOVVZYDL-JGVFFNPUSA-N -1 1 293.352 1.659 20 0 CDADMM CC(C)[C@@H]1C[C@H]1C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001589501296 1173152070 /nfs/dbraw/zinc/15/20/70/1173152070.db2.gz CDQKAAFOVVZYDL-JGVFFNPUSA-N -1 1 293.352 1.659 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc[nH]1 ZINC001589944401 1173205795 /nfs/dbraw/zinc/20/57/95/1173205795.db2.gz IGEHUJBLPPEOIV-MRVPVSSYSA-N -1 1 283.295 1.081 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc[nH]1 ZINC001589944401 1173205800 /nfs/dbraw/zinc/20/58/00/1173205800.db2.gz IGEHUJBLPPEOIV-MRVPVSSYSA-N -1 1 283.295 1.081 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(F)F ZINC001589944915 1173209175 /nfs/dbraw/zinc/20/91/75/1173209175.db2.gz YXPHDRAVMUDOPF-SCSAIBSYSA-N -1 1 273.268 1.312 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(F)F ZINC001589944915 1173209169 /nfs/dbraw/zinc/20/91/69/1173209169.db2.gz YXPHDRAVMUDOPF-SCSAIBSYSA-N -1 1 273.268 1.312 20 0 CDADMM C[C@@]1(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)C=CCC1 ZINC001590068701 1173244134 /nfs/dbraw/zinc/24/41/34/1173244134.db2.gz NDPPVUKSUZLXOQ-CQSZACIVSA-N -1 1 284.323 1.234 20 0 CDADMM C[C@@]1(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)C=CCC1 ZINC001590068701 1173244140 /nfs/dbraw/zinc/24/41/40/1173244140.db2.gz NDPPVUKSUZLXOQ-CQSZACIVSA-N -1 1 284.323 1.234 20 0 CDADMM C[C@]1(C(=O)OCc2ccc(-c3nn[n-]n3)s2)CCOC1 ZINC001590073336 1173245099 /nfs/dbraw/zinc/24/50/99/1173245099.db2.gz KQWREXQJOYFPIH-LBPRGKRZSA-N -1 1 294.336 1.398 20 0 CDADMM CC1(C)C[C@@H](CNc2cccnc2-c2nnn[n-]2)CCO1 ZINC001590079772 1173248237 /nfs/dbraw/zinc/24/82/37/1173248237.db2.gz IXRTULRCZIETCC-JTQLQIEISA-N -1 1 288.355 1.879 20 0 CDADMM CC1(C)C[C@@H](CNc2cccnc2-c2nn[n-]n2)CCO1 ZINC001590079772 1173248243 /nfs/dbraw/zinc/24/82/43/1173248243.db2.gz IXRTULRCZIETCC-JTQLQIEISA-N -1 1 288.355 1.879 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC=C(C)C2)c1 ZINC001590160209 1173278280 /nfs/dbraw/zinc/27/82/80/1173278280.db2.gz LSPLKDNUUKAAMK-UHFFFAOYSA-N -1 1 256.313 1.727 20 0 CDADMM C[C@@H]1C[C@@H](C(=O)OCc2ccc(-c3nnn[n-]3)o2)[C@H](C)O1 ZINC001590186076 1173280979 /nfs/dbraw/zinc/28/09/79/1173280979.db2.gz RIOHKXSWRQGUEF-KHQFGBGNSA-N -1 1 292.295 1.316 20 0 CDADMM C[C@@H]1C[C@@H](C(=O)OCc2ccc(-c3nn[n-]n3)o2)[C@H](C)O1 ZINC001590186076 1173280981 /nfs/dbraw/zinc/28/09/81/1173280981.db2.gz RIOHKXSWRQGUEF-KHQFGBGNSA-N -1 1 292.295 1.316 20 0 CDADMM C[C@H]1C[C@@H]1COC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590223143 1173305718 /nfs/dbraw/zinc/30/57/18/1173305718.db2.gz ZNOVLPRGECUXMR-WCBMZHEXSA-N -1 1 273.296 1.003 20 0 CDADMM C[C@H]1C[C@@H]1COC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590223143 1173305725 /nfs/dbraw/zinc/30/57/25/1173305725.db2.gz ZNOVLPRGECUXMR-WCBMZHEXSA-N -1 1 273.296 1.003 20 0 CDADMM C[C@@H]1CC[C@@H](Nc2ncncc2-c2nn[n-]n2)C[C@@H]1C ZINC001590241335 1173313214 /nfs/dbraw/zinc/31/32/14/1173313214.db2.gz WATCYWSBPQBCPK-KXUCPTDWSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590249029 1173316765 /nfs/dbraw/zinc/31/67/65/1173316765.db2.gz AKEIUFWLDBAZPM-BDAKNGLRSA-N -1 1 259.317 1.069 20 0 CDADMM C[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590249031 1173317332 /nfs/dbraw/zinc/31/73/32/1173317332.db2.gz AKEIUFWLDBAZPM-DTWKUNHWSA-N -1 1 259.317 1.069 20 0 CDADMM C[C@@H]1CCCC[C@H]1CC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001590251031 1173319834 /nfs/dbraw/zinc/31/98/34/1173319834.db2.gz HFBBDTHJKSHHLY-BDAKNGLRSA-N -1 1 289.343 1.745 20 0 CDADMM C[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)c2)[C@H]1CCO ZINC001590260868 1173322633 /nfs/dbraw/zinc/32/26/33/1173322633.db2.gz JFKSYSWIFDZWMO-MFKMUULPSA-N -1 1 288.355 1.249 20 0 CDADMM C[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)c2)[C@H]1CCO ZINC001590260868 1173322638 /nfs/dbraw/zinc/32/26/38/1173322638.db2.gz JFKSYSWIFDZWMO-MFKMUULPSA-N -1 1 288.355 1.249 20 0 CDADMM C[C@H]1CCN(C(=O)c2csc(-c3nn[n-]n3)c2)[C@H]1C ZINC001590269668 1173324663 /nfs/dbraw/zinc/32/46/63/1173324663.db2.gz FRWJVLAFLIXHTB-YUMQZZPRSA-N -1 1 277.353 1.799 20 0 CDADMM C[C@H]1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)CC1(C)C ZINC001590270080 1173331895 /nfs/dbraw/zinc/33/18/95/1173331895.db2.gz MFORNYWNNZLJHV-VIFPVBQESA-N -1 1 289.339 1.968 20 0 CDADMM C[C@H]1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)CC1(C)C ZINC001590270080 1173331904 /nfs/dbraw/zinc/33/19/04/1173331904.db2.gz MFORNYWNNZLJHV-VIFPVBQESA-N -1 1 289.339 1.968 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001590269922 1173332798 /nfs/dbraw/zinc/33/27/98/1173332798.db2.gz IHBTXCCKLXRFJU-NXEZZACHSA-N -1 1 286.339 1.380 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001590269922 1173332806 /nfs/dbraw/zinc/33/28/06/1173332806.db2.gz IHBTXCCKLXRFJU-NXEZZACHSA-N -1 1 286.339 1.380 20 0 CDADMM CC[C@@](C)(O)CNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001590385548 1173385555 /nfs/dbraw/zinc/38/55/55/1173385555.db2.gz WMYQJSKPIXIELL-GFCCVEGCSA-N -1 1 262.317 1.143 20 0 CDADMM CC[C@@](C)(O)CNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001590385548 1173385559 /nfs/dbraw/zinc/38/55/59/1173385559.db2.gz WMYQJSKPIXIELL-GFCCVEGCSA-N -1 1 262.317 1.143 20 0 CDADMM CC[C@@H]1CCC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001590507023 1173439297 /nfs/dbraw/zinc/43/92/97/1173439297.db2.gz IAHKYSSJBZYKGD-BDAKNGLRSA-N -1 1 259.317 1.647 20 0 CDADMM CC[C@@H]1CCC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001590507023 1173439301 /nfs/dbraw/zinc/43/93/01/1173439301.db2.gz IAHKYSSJBZYKGD-BDAKNGLRSA-N -1 1 259.317 1.647 20 0 CDADMM CC[C@@H]1CO[C@@H](CC)CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590519521 1173445424 /nfs/dbraw/zinc/44/54/24/1173445424.db2.gz AKNRXYUXERYMNC-ZJUUUORDSA-N -1 1 289.343 1.051 20 0 CDADMM CC[C@@H]1CO[C@@H](CC)CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590519521 1173445426 /nfs/dbraw/zinc/44/54/26/1173445426.db2.gz AKNRXYUXERYMNC-ZJUUUORDSA-N -1 1 289.343 1.051 20 0 CDADMM CCC[C@H]1CN(c2snc(C)c2-c2nn[n-]n2)CCO1 ZINC001590569087 1173466265 /nfs/dbraw/zinc/46/62/65/1173466265.db2.gz MXDQHOUTHXLEAT-VIFPVBQESA-N -1 1 294.384 1.637 20 0 CDADMM CCCCCCC(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001590590554 1173468077 /nfs/dbraw/zinc/46/80/77/1173468077.db2.gz UWBQIEOKZOFGEF-UHFFFAOYSA-N -1 1 291.359 1.818 20 0 CDADMM CCCCCCC(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001590590554 1173468081 /nfs/dbraw/zinc/46/80/81/1173468081.db2.gz UWBQIEOKZOFGEF-UHFFFAOYSA-N -1 1 291.359 1.818 20 0 CDADMM CCN(CC1CCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001590691559 1173493510 /nfs/dbraw/zinc/49/35/10/1173493510.db2.gz UDPUWOIFDSNUTG-UHFFFAOYSA-N -1 1 258.329 1.888 20 0 CDADMM CCN(CC1CCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001590691559 1173493514 /nfs/dbraw/zinc/49/35/14/1173493514.db2.gz UDPUWOIFDSNUTG-UHFFFAOYSA-N -1 1 258.329 1.888 20 0 CDADMM CCO[C@H]1C[C@@H]1COC(=O)c1sccc1-c1nn[n-]n1 ZINC001590794893 1173513625 /nfs/dbraw/zinc/51/36/25/1173513625.db2.gz LBLJDYJFKNHXQT-APPZFPTMSA-N -1 1 294.336 1.510 20 0 CDADMM CCOCCCCNc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001590811504 1173519586 /nfs/dbraw/zinc/51/95/86/1173519586.db2.gz WVLJTNYLRMADSU-UHFFFAOYSA-N -1 1 276.344 1.799 20 0 CDADMM CCOCCCCNc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001590811504 1173519589 /nfs/dbraw/zinc/51/95/89/1173519589.db2.gz WVLJTNYLRMADSU-UHFFFAOYSA-N -1 1 276.344 1.799 20 0 CDADMM CC[C@@H]1OCC[C@H]1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590861741 1173531306 /nfs/dbraw/zinc/53/13/06/1173531306.db2.gz XJDJRSFQRVTVMP-SCZZXKLOSA-N -1 1 288.311 1.015 20 0 CDADMM CC[C@@H]1OCC[C@H]1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590861741 1173531310 /nfs/dbraw/zinc/53/13/10/1173531310.db2.gz XJDJRSFQRVTVMP-SCZZXKLOSA-N -1 1 288.311 1.015 20 0 CDADMM CCc1nc(N[C@@H](C)c2cnccn2)cc(-c2nnn[n-]2)n1 ZINC001590922485 1173544991 /nfs/dbraw/zinc/54/49/91/1173544991.db2.gz AHBLVDOMLYWHLZ-QMMMGPOBSA-N -1 1 297.326 1.182 20 0 CDADMM CCc1nc(N[C@@H](C)c2cnccn2)cc(-c2nn[n-]n2)n1 ZINC001590922485 1173544994 /nfs/dbraw/zinc/54/49/94/1173544994.db2.gz AHBLVDOMLYWHLZ-QMMMGPOBSA-N -1 1 297.326 1.182 20 0 CDADMM CCn1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)c1C ZINC001590958339 1173549834 /nfs/dbraw/zinc/54/98/34/1173549834.db2.gz GJJUZVJANVVLCI-UHFFFAOYSA-N -1 1 297.322 1.644 20 0 CDADMM CCn1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)c1C ZINC001590958339 1173549839 /nfs/dbraw/zinc/54/98/39/1173549839.db2.gz GJJUZVJANVVLCI-UHFFFAOYSA-N -1 1 297.322 1.644 20 0 CDADMM CN(C(=O)c1csc(-c2nn[n-]n2)c1)[C@H]1CCSC1 ZINC001590998763 1173561058 /nfs/dbraw/zinc/56/10/58/1173561058.db2.gz XDZGQZWSWQTPTG-QMMMGPOBSA-N -1 1 295.393 1.506 20 0 CDADMM CN(C)c1ccccc1CNc1cccc(-c2nnn[n-]2)n1 ZINC001591034641 1173563740 /nfs/dbraw/zinc/56/37/40/1173563740.db2.gz DNMYWGAMMUXBKT-UHFFFAOYSA-N -1 1 295.350 1.940 20 0 CDADMM CN(C)c1ccccc1CNc1cccc(-c2nn[n-]n2)n1 ZINC001591034641 1173563743 /nfs/dbraw/zinc/56/37/43/1173563743.db2.gz DNMYWGAMMUXBKT-UHFFFAOYSA-N -1 1 295.350 1.940 20 0 CDADMM CN(C)c1ccccc1CNc1nccnc1-c1nnn[n-]1 ZINC001591034664 1173563804 /nfs/dbraw/zinc/56/38/04/1173563804.db2.gz FVDFCUIFHUATJH-UHFFFAOYSA-N -1 1 296.338 1.335 20 0 CDADMM CN(C)c1ccccc1CNc1nccnc1-c1nn[n-]n1 ZINC001591034664 1173563806 /nfs/dbraw/zinc/56/38/06/1173563806.db2.gz FVDFCUIFHUATJH-UHFFFAOYSA-N -1 1 296.338 1.335 20 0 CDADMM CN(C1CCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591036751 1173564360 /nfs/dbraw/zinc/56/43/60/1173564360.db2.gz CWTLKBNPPZZBDR-UHFFFAOYSA-N -1 1 299.381 1.101 20 0 CDADMM CN(C1CCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591036751 1173564364 /nfs/dbraw/zinc/56/43/64/1173564364.db2.gz CWTLKBNPPZZBDR-UHFFFAOYSA-N -1 1 299.381 1.101 20 0 CDADMM COC(=O)CCCCOc1cccc(F)c1-c1nnn[n-]1 ZINC001591261812 1173597597 /nfs/dbraw/zinc/59/75/97/1173597597.db2.gz AVRLMIFVNUURHA-UHFFFAOYSA-N -1 1 294.286 1.728 20 0 CDADMM COC(=O)CCCCOc1cccc(F)c1-c1nn[n-]n1 ZINC001591261812 1173597600 /nfs/dbraw/zinc/59/76/00/1173597600.db2.gz AVRLMIFVNUURHA-UHFFFAOYSA-N -1 1 294.286 1.728 20 0 CDADMM CO[C@H](COC(=O)c1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001591336103 1173615867 /nfs/dbraw/zinc/61/58/67/1173615867.db2.gz SWOBFHPZKMPVBL-LLVKDONJSA-N -1 1 291.311 1.090 20 0 CDADMM CO[C@H](COC(=O)c1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001591336103 1173615870 /nfs/dbraw/zinc/61/58/70/1173615870.db2.gz SWOBFHPZKMPVBL-LLVKDONJSA-N -1 1 291.311 1.090 20 0 CDADMM COc1cccc([N-]S(=O)(=O)c2ccc(O)c(N)c2)c1 ZINC000021503896 1173638212 /nfs/dbraw/zinc/63/82/12/1173638212.db2.gz UKHRNPMHTOQUQG-UHFFFAOYSA-N -1 1 294.332 1.784 20 0 CDADMM COc1c(-c2nn[n-]n2)ccc(=O)n1Cc1ccc(C)cc1 ZINC001591474585 1173662252 /nfs/dbraw/zinc/66/22/52/1173662252.db2.gz GXJFQOGRDWLXKF-UHFFFAOYSA-N -1 1 297.318 1.394 20 0 CDADMM COc1cc(Oc2ccnc(-c3nn[n-]n3)n2)ccc1F ZINC001591555418 1173668313 /nfs/dbraw/zinc/66/83/13/1173668313.db2.gz VPKVDFIJQRWJRH-UHFFFAOYSA-N -1 1 288.242 1.597 20 0 CDADMM C[C@@H]1CN(c2ccnc(-c3nnn[n-]3)c2)[C@H](C)CCO1 ZINC001591748146 1173694085 /nfs/dbraw/zinc/69/40/85/1173694085.db2.gz NUVXCZIHZLYETH-NXEZZACHSA-N -1 1 274.328 1.265 20 0 CDADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)c2)[C@H](C)CCO1 ZINC001591748146 1173694089 /nfs/dbraw/zinc/69/40/89/1173694089.db2.gz NUVXCZIHZLYETH-NXEZZACHSA-N -1 1 274.328 1.265 20 0 CDADMM C[C@@H]1C[C@H](C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001591735513 1173694474 /nfs/dbraw/zinc/69/44/74/1173694474.db2.gz RTVSKJDYKSVFQC-NXEZZACHSA-N -1 1 273.344 1.529 20 0 CDADMM C[C@@H]1C[C@H](C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001591735513 1173694477 /nfs/dbraw/zinc/69/44/77/1173694477.db2.gz RTVSKJDYKSVFQC-NXEZZACHSA-N -1 1 273.344 1.529 20 0 CDADMM C[C@@]12CN(c3cccnc3-c3nnn[n-]3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC001591760324 1173696995 /nfs/dbraw/zinc/69/69/95/1173696995.db2.gz PNNNKOAKYHAGIO-YRORDHRNSA-N -1 1 294.362 1.910 20 0 CDADMM C[C@@]12CN(c3cccnc3-c3nn[n-]n3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC001591760324 1173696997 /nfs/dbraw/zinc/69/69/97/1173696997.db2.gz PNNNKOAKYHAGIO-YRORDHRNSA-N -1 1 294.362 1.910 20 0 CDADMM C[C@H]1CC[C@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC1 ZINC001591772270 1173699918 /nfs/dbraw/zinc/69/99/18/1173699918.db2.gz OEEYWRLTEYIYQL-ZKCHVHJHSA-N -1 1 275.316 1.355 20 0 CDADMM C[C@H]1CC[C@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC1 ZINC001591772270 1173699921 /nfs/dbraw/zinc/69/99/21/1173699921.db2.gz OEEYWRLTEYIYQL-ZKCHVHJHSA-N -1 1 275.316 1.355 20 0 CDADMM C[C@H](O)CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001591770545 1173700299 /nfs/dbraw/zinc/70/02/99/1173700299.db2.gz KCEWIKGCFSETSO-YFKPBYRVSA-N -1 1 288.233 1.073 20 0 CDADMM C[C@H](O)CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001591770545 1173700301 /nfs/dbraw/zinc/70/03/01/1173700301.db2.gz KCEWIKGCFSETSO-YFKPBYRVSA-N -1 1 288.233 1.073 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)n1 ZINC001591883898 1173736839 /nfs/dbraw/zinc/73/68/39/1173736839.db2.gz LDXLTHVIZMBJRY-NDMJEZRESA-N -1 1 299.382 1.980 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)n1 ZINC001591883898 1173736845 /nfs/dbraw/zinc/73/68/45/1173736845.db2.gz LDXLTHVIZMBJRY-NDMJEZRESA-N -1 1 299.382 1.980 20 0 CDADMM Cc1ccnc([C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)n1 ZINC001591890859 1173742663 /nfs/dbraw/zinc/74/26/63/1173742663.db2.gz HOBVVPHTJNAEOR-VIFPVBQESA-N -1 1 297.326 1.237 20 0 CDADMM Cc1ccnc([C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)n1 ZINC001591890859 1173742667 /nfs/dbraw/zinc/74/26/67/1173742667.db2.gz HOBVVPHTJNAEOR-VIFPVBQESA-N -1 1 297.326 1.237 20 0 CDADMM Cc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)oc1C ZINC001591908811 1173743170 /nfs/dbraw/zinc/74/31/70/1173743170.db2.gz MKWMNZQHTFNCNP-UHFFFAOYSA-N -1 1 298.306 1.748 20 0 CDADMM Cc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)oc1C ZINC001591908811 1173743179 /nfs/dbraw/zinc/74/31/79/1173743179.db2.gz MKWMNZQHTFNCNP-UHFFFAOYSA-N -1 1 298.306 1.748 20 0 CDADMM Cc1cc(C)nc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001591956925 1173752811 /nfs/dbraw/zinc/75/28/11/1173752811.db2.gz RKIHFFPQOXTQKQ-UHFFFAOYSA-N -1 1 295.306 1.526 20 0 CDADMM Cc1cc(C)nc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001591956925 1173752815 /nfs/dbraw/zinc/75/28/15/1173752815.db2.gz RKIHFFPQOXTQKQ-UHFFFAOYSA-N -1 1 295.306 1.526 20 0 CDADMM Cc1cc(F)c(-c2nn[n-]n2)c(S[C@@H](C)CO)c1 ZINC001591982524 1173766775 /nfs/dbraw/zinc/76/67/75/1173766775.db2.gz KLUWXADRKNOSQZ-ZETCQYMHSA-N -1 1 268.317 1.787 20 0 CDADMM Cc1cc(N[C@H](C)C[C@H]2CCOC2)nc(-c2nnn[n-]2)c1 ZINC001592034508 1173778881 /nfs/dbraw/zinc/77/88/81/1173778881.db2.gz RIJIWEGHQRPTCK-GHMZBOCLSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(N[C@H](C)C[C@H]2CCOC2)nc(-c2nn[n-]n2)c1 ZINC001592034508 1173778886 /nfs/dbraw/zinc/77/88/86/1173778886.db2.gz RIJIWEGHQRPTCK-GHMZBOCLSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc2c(c1)CCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001592203886 1173833548 /nfs/dbraw/zinc/83/35/48/1173833548.db2.gz MTBBVKGDVVNJAJ-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM Cc1ccc2c(c1)CCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001592203886 1173833550 /nfs/dbraw/zinc/83/35/50/1173833550.db2.gz MTBBVKGDVVNJAJ-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM Cc1ccc2c(c1)CCN(c1nccnc1-c1nnn[n-]1)C2 ZINC001592203589 1173833813 /nfs/dbraw/zinc/83/38/13/1173833813.db2.gz HRBFUBWNWWVKLR-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM Cc1ccc2c(c1)CCN(c1nccnc1-c1nn[n-]n1)C2 ZINC001592203589 1173833819 /nfs/dbraw/zinc/83/38/19/1173833819.db2.gz HRBFUBWNWWVKLR-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM Cc1cccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)c1F ZINC001592235613 1173836340 /nfs/dbraw/zinc/83/63/40/1173836340.db2.gz PZBPEHNRDFQZHB-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1cccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)c1F ZINC001592235613 1173836348 /nfs/dbraw/zinc/83/63/48/1173836348.db2.gz PZBPEHNRDFQZHB-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1ccncc1[C@@H](C)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001592277792 1173843601 /nfs/dbraw/zinc/84/36/01/1173843601.db2.gz ZUTSTHHTGDUGND-SECBINFHSA-N -1 1 282.311 1.533 20 0 CDADMM Cc1ccncc1[C@@H](C)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001592277792 1173843607 /nfs/dbraw/zinc/84/36/07/1173843607.db2.gz ZUTSTHHTGDUGND-SECBINFHSA-N -1 1 282.311 1.533 20 0 CDADMM Cc1ncoc1COC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001592423031 1173887611 /nfs/dbraw/zinc/88/76/11/1173887611.db2.gz NVROFXQKLSXGCH-UHFFFAOYSA-N -1 1 289.251 1.422 20 0 CDADMM Cc1ncoc1COC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001592423031 1173887617 /nfs/dbraw/zinc/88/76/17/1173887617.db2.gz NVROFXQKLSXGCH-UHFFFAOYSA-N -1 1 289.251 1.422 20 0 CDADMM FC(F)Oc1cccc(Cn2cc(-c3nn[n-]n3)nn2)c1 ZINC001592627121 1173932435 /nfs/dbraw/zinc/93/24/35/1173932435.db2.gz YNYJTLYXQGSKFQ-UHFFFAOYSA-N -1 1 293.237 1.108 20 0 CDADMM Fc1cc(CNc2n[nH]cc2-c2nnn[n-]2)cc(F)c1F ZINC001592639997 1173946899 /nfs/dbraw/zinc/94/68/99/1173946899.db2.gz KNHUEAWUBDMAKL-UHFFFAOYSA-N -1 1 295.228 1.619 20 0 CDADMM Fc1cc(CNc2n[nH]cc2-c2nn[n-]n2)cc(F)c1F ZINC001592639997 1173946903 /nfs/dbraw/zinc/94/69/03/1173946903.db2.gz KNHUEAWUBDMAKL-UHFFFAOYSA-N -1 1 295.228 1.619 20 0 CDADMM Fc1cccc(Cn2ccn3ncc(-c4nn[n-]n4)c23)c1 ZINC001592656792 1173954509 /nfs/dbraw/zinc/95/45/09/1173954509.db2.gz PAWOVKLSSXVJSS-UHFFFAOYSA-N -1 1 283.270 1.503 20 0 CDADMM Fc1ccccc1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001592658960 1173957820 /nfs/dbraw/zinc/95/78/20/1173957820.db2.gz JIOIPARAZKGDJV-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM Fc1ccccc1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001592658960 1173957826 /nfs/dbraw/zinc/95/78/26/1173957826.db2.gz JIOIPARAZKGDJV-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001592753026 1173985172 /nfs/dbraw/zinc/98/51/72/1173985172.db2.gz GMNUWHGADUDVSP-ZJUUUORDSA-N -1 1 295.306 1.089 20 0 CDADMM O=C(N[C@H]1CCC[C@H](F)C1)c1ccc(-c2nnn[n-]2)o1 ZINC001592975465 1174011164 /nfs/dbraw/zinc/01/11/64/1174011164.db2.gz NFMSNFPPDZDETR-YUMQZZPRSA-N -1 1 279.275 1.470 20 0 CDADMM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc(-c2nnn[n-]2)n1 ZINC001592983468 1174012841 /nfs/dbraw/zinc/01/28/41/1174012841.db2.gz VPRAHDXTILNPAU-KXUCPTDWSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc(-c2nn[n-]n2)n1 ZINC001592983468 1174012848 /nfs/dbraw/zinc/01/28/48/1174012848.db2.gz VPRAHDXTILNPAU-KXUCPTDWSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1csc(-c2nn[n-]n2)c1 ZINC001593004223 1174013862 /nfs/dbraw/zinc/01/38/62/1174013862.db2.gz MBSGYUSCBMJNEI-MBTKJCJQSA-N -1 1 275.337 1.457 20 0 CDADMM O=C(NC[C@@]12C[C@@H]1CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001593021496 1174014128 /nfs/dbraw/zinc/01/41/28/1174014128.db2.gz IALAIWXQRVPLOE-XHDPSFHLSA-N -1 1 298.350 1.572 20 0 CDADMM O=C(NC[C@@]12C[C@@H]1CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001593021496 1174014133 /nfs/dbraw/zinc/01/41/33/1174014133.db2.gz IALAIWXQRVPLOE-XHDPSFHLSA-N -1 1 298.350 1.572 20 0 CDADMM O=C(NCCCF)NCc1ccc(-c2nn[n-]n2)s1 ZINC001593068554 1174021888 /nfs/dbraw/zinc/02/18/88/1174021888.db2.gz BRKCDIJXXLSIKI-UHFFFAOYSA-N -1 1 284.320 1.087 20 0 CDADMM O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccc(-c2nnn[n-]2)nc1 ZINC001593180210 1174029618 /nfs/dbraw/zinc/02/96/18/1174029618.db2.gz ZAAUJIWWVOATFO-XHVZSJERSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccc(-c2nn[n-]n2)nc1 ZINC001593180210 1174029622 /nfs/dbraw/zinc/02/96/22/1174029622.db2.gz ZAAUJIWWVOATFO-XHVZSJERSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@]12C[C@H]1CCCC2 ZINC001593197544 1174031031 /nfs/dbraw/zinc/03/10/31/1174031031.db2.gz LHVCIHGAPHSOKC-JMCQJSRRSA-N -1 1 273.300 1.109 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@]12C[C@H]1CCCC2 ZINC001593197544 1174031035 /nfs/dbraw/zinc/03/10/35/1174031035.db2.gz LHVCIHGAPHSOKC-JMCQJSRRSA-N -1 1 273.300 1.109 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@]2(CC2(F)F)C1 ZINC001593368194 1174071434 /nfs/dbraw/zinc/07/14/34/1174071434.db2.gz VTPFWOZYICJATP-NSHDSACASA-N -1 1 295.249 1.331 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@]2(CC2(F)F)C1 ZINC001593368194 1174071441 /nfs/dbraw/zinc/07/14/41/1174071441.db2.gz VTPFWOZYICJATP-NSHDSACASA-N -1 1 295.249 1.331 20 0 CDADMM O=C(c1ccsc1-c1nnn[n-]1)N1CC[C@@H](C2CC2)C1 ZINC001593360927 1174072261 /nfs/dbraw/zinc/07/22/61/1174072261.db2.gz KUIBACXBMKMNBR-SECBINFHSA-N -1 1 289.364 1.800 20 0 CDADMM O=C(c1ccsc1-c1nn[n-]n1)N1CC[C@@H](C2CC2)C1 ZINC001593360927 1174072269 /nfs/dbraw/zinc/07/22/69/1174072269.db2.gz KUIBACXBMKMNBR-SECBINFHSA-N -1 1 289.364 1.800 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1nc2ccccc2o1 ZINC001593496334 1174087328 /nfs/dbraw/zinc/08/73/28/1174087328.db2.gz IYXOISYGVWWWBF-UHFFFAOYSA-N -1 1 294.274 1.218 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1CCCc1ccsc1 ZINC001593494831 1174088071 /nfs/dbraw/zinc/08/80/71/1174088071.db2.gz XYYINTXGGPZTKV-UHFFFAOYSA-N -1 1 287.348 1.723 20 0 CDADMM c1cc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)ccn1 ZINC001593555009 1174128893 /nfs/dbraw/zinc/12/88/93/1174128893.db2.gz ZMMGVHKWUKPTRM-UHFFFAOYSA-N -1 1 282.311 1.474 20 0 CDADMM c1cc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)ccn1 ZINC001593555009 1174128899 /nfs/dbraw/zinc/12/88/99/1174128899.db2.gz ZMMGVHKWUKPTRM-UHFFFAOYSA-N -1 1 282.311 1.474 20 0 CDADMM c1cc(NC[C@@H]2CCC[C@@H]2C2CC2)cc(-c2nnn[n-]2)n1 ZINC001593558110 1174134318 /nfs/dbraw/zinc/13/43/18/1174134318.db2.gz JEPZRQNHRLWRJB-WCQYABFASA-N -1 1 284.367 1.922 20 0 CDADMM c1cc(NC[C@@H]2CCC[C@@H]2C2CC2)cc(-c2nn[n-]n2)n1 ZINC001593558110 1174134320 /nfs/dbraw/zinc/13/43/20/1174134320.db2.gz JEPZRQNHRLWRJB-WCQYABFASA-N -1 1 284.367 1.922 20 0 CDADMM c1cnc(N2CC[C@H]3CC[C@@H](C2)S3)c(-c2nnn[n-]2)n1 ZINC001593583663 1174149260 /nfs/dbraw/zinc/14/92/60/1174149260.db2.gz KSOMXHBUJGXJQJ-BDAKNGLRSA-N -1 1 289.368 1.131 20 0 CDADMM c1cnc(N2CC[C@H]3CC[C@@H](C2)S3)c(-c2nn[n-]n2)n1 ZINC001593583663 1174149262 /nfs/dbraw/zinc/14/92/62/1174149262.db2.gz KSOMXHBUJGXJQJ-BDAKNGLRSA-N -1 1 289.368 1.131 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@@H]2C[C@H]2C2CCC2)n1 ZINC001593584732 1174154023 /nfs/dbraw/zinc/15/40/23/1174154023.db2.gz MLWDTBQBSCFALN-DTWKUNHWSA-N -1 1 257.301 1.257 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@@H]2C[C@H]2C2CCC2)n1 ZINC001593584732 1174154030 /nfs/dbraw/zinc/15/40/30/1174154030.db2.gz MLWDTBQBSCFALN-DTWKUNHWSA-N -1 1 257.301 1.257 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001593590342 1174156777 /nfs/dbraw/zinc/15/67/77/1174156777.db2.gz OUKNVHQDZINOAJ-QXEWZRGKSA-N -1 1 287.327 1.026 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001593590342 1174156782 /nfs/dbraw/zinc/15/67/82/1174156782.db2.gz OUKNVHQDZINOAJ-QXEWZRGKSA-N -1 1 287.327 1.026 20 0 CDADMM c1nc(-c2nn[n-]n2)nn1CCC1CCCCCC1 ZINC001593590391 1174158322 /nfs/dbraw/zinc/15/83/22/1174158322.db2.gz QKYQNACGMUGSLP-UHFFFAOYSA-N -1 1 261.333 1.819 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(N2CC(C3CCCCC3)C2)n1 ZINC001593591215 1174159159 /nfs/dbraw/zinc/15/91/59/1174159159.db2.gz IMXAIPACRGQBCH-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM c1sc(CS[C@@H]2CCCOC2)nc1-c1nnn[n-]1 ZINC001593595556 1174164088 /nfs/dbraw/zinc/16/40/88/1174164088.db2.gz VMTAGUPSZTUBGL-SSDOTTSWSA-N -1 1 283.382 1.735 20 0 CDADMM c1sc(CS[C@@H]2CCCOC2)nc1-c1nn[n-]n1 ZINC001593595556 1174164094 /nfs/dbraw/zinc/16/40/94/1174164094.db2.gz VMTAGUPSZTUBGL-SSDOTTSWSA-N -1 1 283.382 1.735 20 0 CDADMM CN(Cc1ncon1)C(=O)c1ncc2ccccc2c1[O-] ZINC001598080544 1174306399 /nfs/dbraw/zinc/30/63/99/1174306399.db2.gz QUPHYXMZILQRTB-UHFFFAOYSA-N -1 1 284.275 1.596 20 0 CDADMM Cc1cc(CN[C@H]2CCCCNC2=O)oc1C(=O)[O-] ZINC001600204242 1174405875 /nfs/dbraw/zinc/40/58/75/1174405875.db2.gz CXFNQFCBLNGNAG-JTQLQIEISA-N -1 1 266.297 1.045 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@@H+]2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)n1 ZINC001600286524 1174439002 /nfs/dbraw/zinc/43/90/02/1174439002.db2.gz LZWIYXZRIDAVAQ-IAQYHMDHSA-N -1 1 291.351 1.567 20 0 CDADMM Cc1cc(=O)[n-]c(C[N@H+]2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)n1 ZINC001600286524 1174439005 /nfs/dbraw/zinc/43/90/05/1174439005.db2.gz LZWIYXZRIDAVAQ-IAQYHMDHSA-N -1 1 291.351 1.567 20 0 CDADMM c1nc(-c2nn[n-]n2)nn1Cc1ccc2ncccc2c1 ZINC000095166164 1174500814 /nfs/dbraw/zinc/50/08/14/1174500814.db2.gz FYXIVWADFQABTM-UHFFFAOYSA-N -1 1 278.279 1.055 20 0 CDADMM Cc1nc(CC(=O)Nc2cc(C(=O)[O-])cs2)n[nH]1 ZINC001600671672 1174557935 /nfs/dbraw/zinc/55/79/35/1174557935.db2.gz SZRBNSJIRDGOQA-UHFFFAOYSA-N -1 1 266.282 1.054 20 0 CDADMM Cc1ncccc1CN[C@@H](C(=O)[O-])c1cccnc1 ZINC001600752478 1174591353 /nfs/dbraw/zinc/59/13/53/1174591353.db2.gz MHUAPUVEJXDOQX-CYBMUJFWSA-N -1 1 257.293 1.701 20 0 CDADMM Cc1oc(C(=O)[O-])cc1CN[C@@H]1CC(=O)N(C(C)C)C1 ZINC001600830822 1174635907 /nfs/dbraw/zinc/63/59/07/1174635907.db2.gz CFSBTGDMVOUZIF-LLVKDONJSA-N -1 1 280.324 1.385 20 0 CDADMM Cc1oc(CN(C)C[C@H](O)CC(C)(C)O)cc1C(=O)[O-] ZINC001600843042 1174637892 /nfs/dbraw/zinc/63/78/92/1174637892.db2.gz WHECKXMSEMLKJX-SNVBAGLBSA-N -1 1 285.340 1.240 20 0 CDADMM Cn1c(CN[C@H](CO)c2ccc(F)cc2)ccc1C(=O)[O-] ZINC001600917131 1174664774 /nfs/dbraw/zinc/66/47/74/1174664774.db2.gz ULEWZIYBSMSKEE-CYBMUJFWSA-N -1 1 292.310 1.686 20 0 CDADMM Cn1ccc([C@@H](NC/C=C/c2ccc(F)cc2)C(=O)[O-])n1 ZINC001600974412 1174686315 /nfs/dbraw/zinc/68/63/15/1174686315.db2.gz DWTXCQAPPXAQQB-BAABZTOOSA-N -1 1 289.310 1.988 20 0 CDADMM Cn1[nH]c(=O)c2c1CN(Cc1cc(C(=O)[O-])cs1)CC2 ZINC001601016963 1174703535 /nfs/dbraw/zinc/70/35/35/1174703535.db2.gz HJOMLDNAJGBOJY-UHFFFAOYSA-N -1 1 293.348 1.444 20 0 CDADMM O=C(C=Cc1cc(C(=O)[O-])co1)Nc1cccc2[nH]nnc21 ZINC001601234969 1174802835 /nfs/dbraw/zinc/80/28/35/1174802835.db2.gz HOTVRXQMHNINSO-PLNGDYQASA-N -1 1 298.258 1.901 20 0 CDADMM O=C([O-])[C@@H](CCF)NC(=O)c1cccc(F)c1O ZINC001601417199 1174864382 /nfs/dbraw/zinc/86/43/82/1174864382.db2.gz OLYKTVSGYJCZOA-MRVPVSSYSA-N -1 1 259.208 1.074 20 0 CDADMM O=C([O-])[C@@H](CF)NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC001601648650 1174929952 /nfs/dbraw/zinc/92/99/52/1174929952.db2.gz FIOUMRCWKPXHFS-CHWSQXEVSA-N -1 1 294.326 1.190 20 0 CDADMM O=C([O-])[C@H](CF)NCc1ccc2c(c1)OC(F)(F)O2 ZINC001601651696 1174930966 /nfs/dbraw/zinc/93/09/66/1174930966.db2.gz VLDJPDZIDJYPOK-ZETCQYMHSA-N -1 1 277.198 1.520 20 0 CDADMM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(Cc2ccsc2)C1 ZINC001601784384 1175005067 /nfs/dbraw/zinc/00/50/67/1175005067.db2.gz VTMXUJJWOIHIKZ-NEPJUHHUSA-N -1 1 294.376 1.017 20 0 CDADMM O=C([O-])/C=C/c1ccc(OCCN2CC[C@@H]2CO)cc1 ZINC001601882776 1175050461 /nfs/dbraw/zinc/05/04/61/1175050461.db2.gz JGIXGKSRZLBNOJ-VUUYWXRKSA-N -1 1 277.320 1.230 20 0 CDADMM O=C([O-])CC1(C[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])CC1 ZINC001601915055 1175064600 /nfs/dbraw/zinc/06/46/00/1175064600.db2.gz CLVUFHDKTMTEFE-CQSZACIVSA-N -1 1 289.331 1.925 20 0 CDADMM O=C([O-])C[C@@]1(NCc2cc3c(cc[nH]c3=O)o2)CCOC1 ZINC001601936037 1175073739 /nfs/dbraw/zinc/07/37/39/1175073739.db2.gz GDUFXNRHTBAVJS-AWEZNQCLSA-N -1 1 292.291 1.257 20 0 CDADMM O=C([O-])CN1CCN(C(=O)c2cccc3ccncc32)CC1 ZINC001602060540 1175123001 /nfs/dbraw/zinc/12/30/01/1175123001.db2.gz DOQFWJJWZONAHN-UHFFFAOYSA-N -1 1 299.330 1.077 20 0 CDADMM O=C([O-])Cn1cc(CN[C@H]2C[C@@H]2Cc2ccccc2)nn1 ZINC001602162198 1175147238 /nfs/dbraw/zinc/14/72/38/1175147238.db2.gz QOVRPYQRHVOMCP-JSGCOSHPSA-N -1 1 286.335 1.084 20 0 CDADMM O=C([O-])c1ccc(C(=O)NCc2ccc3cncn3c2)nc1 ZINC001602323067 1175204504 /nfs/dbraw/zinc/20/45/04/1175204504.db2.gz KEXQZKGZLZZNCT-UHFFFAOYSA-N -1 1 296.286 1.358 20 0 CDADMM O=C([O-])c1cccc(CN2CCS[C@@H]3COCC[C@H]32)n1 ZINC001602436875 1175239491 /nfs/dbraw/zinc/23/94/91/1175239491.db2.gz VWHXTRKBBGMZPT-CHWSQXEVSA-N -1 1 294.376 1.486 20 0 CDADMM O=C([O-])c1cnc(NCc2nnc[nH]2)c(Cl)c1 ZINC001602533230 1175277054 /nfs/dbraw/zinc/27/70/54/1175277054.db2.gz AYVYYWFULGCLRN-UHFFFAOYSA-N -1 1 253.649 1.163 20 0 CDADMM O=C([O-])c1occc1CN1CC[C@@](O)(C(F)F)C1 ZINC001602587624 1175311177 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NMURLEUWSXHZEK-UHFFFAOYSA-N -1 1 299.290 1.715 20 0 CDADMM Cc1ccc(-c2cc(=NC(=O)[C@@H](C)CC(N)=O)[nH][n-]2)s1 ZINC000616811680 342484649 /nfs/dbraw/zinc/48/46/49/342484649.db2.gz UJVABYUEZOVMQL-ZETCQYMHSA-N -1 1 292.364 1.319 20 0 CDADMM COC(=O)CC[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000601298906 342550572 /nfs/dbraw/zinc/55/05/72/342550572.db2.gz HTYDNPQOLDJONJ-UHFFFAOYSA-N -1 1 283.252 1.059 20 0 CDADMM CC[C@H](C)[C@H](Nc1cc[nH+]c(C(=O)[O-])c1)C(=O)[O-] ZINC000650766034 398188172 /nfs/dbraw/zinc/18/81/72/398188172.db2.gz QDJAJIYMQHRZLB-XVKPBYJWSA-N -1 1 252.270 1.113 20 0 CDADMM C[S@@](=O)Cc1noc(Cc2ccc([O-])c(Cl)c2)n1 ZINC000601365021 342557362 /nfs/dbraw/zinc/55/73/62/342557362.db2.gz PRMJPSXGFYIZAT-GOSISDBHSA-N -1 1 286.740 1.898 20 0 CDADMM O=C([O-])c1cc(NCCN2C[C@H]3CC[C@@H](C2)O3)ccn1 ZINC000650771716 398194617 /nfs/dbraw/zinc/19/46/17/398194617.db2.gz DQMCEDBIKOLYFW-TXEJJXNPSA-N -1 1 277.324 1.055 20 0 CDADMM CN(C)[C@H](CNc1ccnc(C(=O)[O-])c1)c1ccco1 ZINC000650764622 398184228 /nfs/dbraw/zinc/18/42/28/398184228.db2.gz GIASBCOBNNFZLI-GFCCVEGCSA-N -1 1 275.308 1.510 20 0 CDADMM CCC[C@@H](NC(=O)[C@H](N)c1cccc(Cl)c1)C(=O)[O-] ZINC000650781906 398201188 /nfs/dbraw/zinc/20/11/88/398201188.db2.gz XTDYHFJRJLJSAY-GHMZBOCLSA-N -1 1 284.743 1.709 20 0 CDADMM COc1cccc([C@H](CNC(=O)C(=O)[O-])N2CCCC2)c1 ZINC000274198192 365588742 /nfs/dbraw/zinc/58/87/42/365588742.db2.gz SQQFHVPPBUVZDJ-ZDUSSCGKSA-N -1 1 292.335 1.033 20 0 CDADMM C[C@H](NC(=O)c1cncc([O-])c1)C(=O)OC(C)(C)C ZINC000124970941 187163894 /nfs/dbraw/zinc/16/38/94/187163894.db2.gz WEZJWQRPTDWYLW-QMMMGPOBSA-N -1 1 266.297 1.247 20 0 CDADMM CC[C@@H](C)N(CC(=O)OC)C(=O)c1ccc([O-])c(F)c1 ZINC000590862425 342600942 /nfs/dbraw/zinc/60/09/42/342600942.db2.gz JYPQGIXOJGAQHM-SECBINFHSA-N -1 1 283.299 1.945 20 0 CDADMM Cc1c(NC(=O)c2c(F)ccc([O-])c2F)nnn1C ZINC000622713473 342132552 /nfs/dbraw/zinc/13/25/52/342132552.db2.gz RWDTYZXMWJBPMO-UHFFFAOYSA-N -1 1 268.223 1.360 20 0 CDADMM CCO[N-]C(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 ZINC000198937790 342638826 /nfs/dbraw/zinc/63/88/26/342638826.db2.gz XQRQIWKSFLHTLJ-LBPRGKRZSA-N -1 1 276.336 1.724 20 0 CDADMM C[C@@H]1C[C@@H](C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CO1 ZINC000629379997 361885821 /nfs/dbraw/zinc/88/58/21/361885821.db2.gz UVIKLLIDXNYXCT-GHMZBOCLSA-N -1 1 287.319 1.941 20 0 CDADMM CCC[C@@H](NC(=O)CC1(CSC)CC1)c1nn[n-]n1 ZINC000593509820 342804939 /nfs/dbraw/zinc/80/49/39/342804939.db2.gz NVACPLUICZIXOL-SECBINFHSA-N -1 1 283.401 1.690 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc([O-])c(F)c2)C[C@]1(C)CO ZINC000620463108 342213803 /nfs/dbraw/zinc/21/38/03/342213803.db2.gz PBDIZLOIRZJKQP-YMTOWFKASA-N -1 1 267.300 1.622 20 0 CDADMM O=C(Cc1cc[nH]n1)Nc1ccc([O-])c(Cl)c1 ZINC000096004003 539043924 /nfs/dbraw/zinc/04/39/24/539043924.db2.gz WUMWUVFLCUCIPI-UHFFFAOYSA-N -1 1 251.673 1.950 20 0 CDADMM Cc1cc(O[C@H](C)C(=O)NCc2nn[n-]n2)ccc1Cl ZINC000600496036 342228160 /nfs/dbraw/zinc/22/81/60/342228160.db2.gz PODRNAQZVQOQGG-MRVPVSSYSA-N -1 1 295.730 1.245 20 0 CDADMM O=C([O-])CCCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000132587355 342270732 /nfs/dbraw/zinc/27/07/32/342270732.db2.gz IYXYKBAVJHSSDB-UHFFFAOYSA-N -1 1 264.281 1.818 20 0 CDADMM O=C(CC1CCCCCC1)NCCCc1nc(=O)[n-][nH]1 ZINC000176177372 539134697 /nfs/dbraw/zinc/13/46/97/539134697.db2.gz LMPBRKPSKWELBO-UHFFFAOYSA-N -1 1 280.372 1.507 20 0 CDADMM O=C(c1cncc([O-])c1)N1CCC[C@@H](CCO)C1 ZINC000104422611 539161379 /nfs/dbraw/zinc/16/13/79/539161379.db2.gz VPTGBQPCVWURFJ-JTQLQIEISA-N -1 1 250.298 1.022 20 0 CDADMM O=C(NCc1nn[n-]n1)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000599344425 344014670 /nfs/dbraw/zinc/01/46/70/344014670.db2.gz KORHTOVYQQMGQI-RKDXNWHRSA-N -1 1 277.715 1.273 20 0 CDADMM COCCN(Cc1cccnc1)C(=O)c1ncccc1[O-] ZINC000125945129 187206321 /nfs/dbraw/zinc/20/63/21/187206321.db2.gz CAJDNXRUOBUUIZ-UHFFFAOYSA-N -1 1 287.319 1.471 20 0 CDADMM CC[C@]1(CO)CCCN1C(=O)c1cccc2nn[nH]c21 ZINC000189315824 365695383 /nfs/dbraw/zinc/69/53/83/365695383.db2.gz KNUIISPQJSBTRZ-CQSZACIVSA-N -1 1 274.324 1.335 20 0 CDADMM Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)s2)no1 ZINC000173400318 365698085 /nfs/dbraw/zinc/69/80/85/365698085.db2.gz ULZINXDKMIQADQ-UHFFFAOYSA-N -1 1 293.757 1.571 20 0 CDADMM Cc1cc(S(=O)(=O)[N-]CC2=CCCOC2)sn1 ZINC000632339016 362036879 /nfs/dbraw/zinc/03/68/79/362036879.db2.gz UJDCNHUBSCIYPD-UHFFFAOYSA-N -1 1 274.367 1.077 20 0 CDADMM Oc1cccnc1C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000567147238 362050737 /nfs/dbraw/zinc/05/07/37/362050737.db2.gz BNAWJNXBZDTHDZ-CFVMTHIKSA-N -1 1 292.379 1.539 20 0 CDADMM CCC[C@@H]1SCCN1C(=O)CCCc1nn[n-]n1 ZINC000635571888 362064751 /nfs/dbraw/zinc/06/47/51/362064751.db2.gz KBXBPHDKNNABBY-NSHDSACASA-N -1 1 269.374 1.224 20 0 CDADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@@H](C)C1 ZINC000266985207 295689742 /nfs/dbraw/zinc/68/97/42/295689742.db2.gz HJSWGJJHFHOAEL-SSDOTTSWSA-N -1 1 267.354 1.695 20 0 CDADMM Cc1cnc(C(=O)N2C[C@@H](C)O[C@@H](C3CC3)C2)c([O-])c1 ZINC000329915205 362090651 /nfs/dbraw/zinc/09/06/51/362090651.db2.gz CYRSLCNNAPJLLH-ZWNOBZJWSA-N -1 1 276.336 1.735 20 0 CDADMM O=C(NCCOC[C@H]1CCCO1)c1cc(F)ccc1[O-] ZINC000080028367 342349612 /nfs/dbraw/zinc/34/96/12/342349612.db2.gz CJPKWQZVNKUSMP-LLVKDONJSA-N -1 1 283.299 1.457 20 0 CDADMM CCO[C@H]1C[C@H](N(C)C(=O)CCCc2nn[n-]n2)C1(C)C ZINC000635594937 362123242 /nfs/dbraw/zinc/12/32/42/362123242.db2.gz DFWGJLXNGOWAHA-QWRGUYRKSA-N -1 1 295.387 1.184 20 0 CDADMM O=C(Cc1coc2cc3c(cc12)CCC3)NCc1nn[n-]n1 ZINC000599377678 344030031 /nfs/dbraw/zinc/03/00/31/344030031.db2.gz XTDFWDQHZNGPIQ-UHFFFAOYSA-N -1 1 297.318 1.294 20 0 CDADMM CC(C)c1nsc([N-]c2cnn(CC(=O)N(C)C)c2)n1 ZINC000092649132 342415773 /nfs/dbraw/zinc/41/57/73/342415773.db2.gz SHTPCVZLJIYQGB-UHFFFAOYSA-N -1 1 294.384 1.690 20 0 CDADMM O=C([O-])CN1CCCC[C@H](N2Cc3ccccc3C2)C1=O ZINC000643873809 362179159 /nfs/dbraw/zinc/17/91/59/362179159.db2.gz HNHHLRGUERWOJS-AWEZNQCLSA-N -1 1 288.347 1.468 20 0 CDADMM CC[C@@]1(C)CC[N@H+]([C@@H]2CCCCN(CC(=O)[O-])C2=O)C1 ZINC000643874125 362180045 /nfs/dbraw/zinc/18/00/45/362180045.db2.gz PFMFLACXJCLHOJ-DOMZBBRYSA-N -1 1 282.384 1.574 20 0 CDADMM CN(C)C(=O)C(C)(C)NC(=O)c1cc(F)ccc1[O-] ZINC000094125205 342429698 /nfs/dbraw/zinc/42/96/98/342429698.db2.gz JUIOWQFARZMMGF-UHFFFAOYSA-N -1 1 268.288 1.128 20 0 CDADMM COc1ccccc1CCC(=O)NC(C)(C)c1nn[n-]n1 ZINC000095195973 342430783 /nfs/dbraw/zinc/43/07/83/342430783.db2.gz NHTDVBYQLYUJOQ-UHFFFAOYSA-N -1 1 289.339 1.192 20 0 CDADMM O=C(Cc1ccccc1)NC1(c2nn[n-]n2)CCCC1 ZINC000095182939 342430923 /nfs/dbraw/zinc/43/09/23/342430923.db2.gz QWCRSKCXOBGWHS-UHFFFAOYSA-N -1 1 271.324 1.328 20 0 CDADMM Cc1ccc(C(=O)NC(C)(C)c2nn[n-]n2)c(C)c1 ZINC000095211974 342431014 /nfs/dbraw/zinc/43/10/14/342431014.db2.gz DCRRRJCIPHSPSW-UHFFFAOYSA-N -1 1 259.313 1.482 20 0 CDADMM COC[C@@]1(C(=O)[O-])CCCN1Cc1ncccc1C ZINC000643878421 362190897 /nfs/dbraw/zinc/19/08/97/362190897.db2.gz SWDSSZFWONKPTJ-CQSZACIVSA-N -1 1 264.325 1.456 20 0 CDADMM CSc1nc(C)c(CCC(=O)NCC[C@H](C)O)c(=O)[n-]1 ZINC000339944210 362199139 /nfs/dbraw/zinc/19/91/39/362199139.db2.gz ATWPYCPVNNRDGD-QMMMGPOBSA-N -1 1 299.396 1.032 20 0 CDADMM CC(C)c1ccccc1NC(=O)NN1CC(=O)[N-]C1=O ZINC000126822441 187264728 /nfs/dbraw/zinc/26/47/28/187264728.db2.gz JVZUHOOMLWAMLT-UHFFFAOYSA-N -1 1 276.296 1.398 20 0 CDADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cn[nH]c1 ZINC000040444632 343586229 /nfs/dbraw/zinc/58/62/29/343586229.db2.gz KKKTVLHPRRSUCW-UHFFFAOYSA-N -1 1 269.264 1.345 20 0 CDADMM CC(C)c1cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)no1 ZINC000274727558 365782820 /nfs/dbraw/zinc/78/28/20/365782820.db2.gz BWFGTTKRDBVBKO-MRVPVSSYSA-N -1 1 278.316 1.187 20 0 CDADMM CCCN1CC(=O)N[C@@H]1c1n[nH]c2cc(C(=O)[O-])ccc21 ZINC000639423848 362350911 /nfs/dbraw/zinc/35/09/11/362350911.db2.gz JEFFWNYCDLSFFL-ZDUSSCGKSA-N -1 1 288.307 1.102 20 0 CDADMM CCOC(=O)Cn1[n-]c2c(c1=O)CCCCCC2 ZINC000601952056 344293130 /nfs/dbraw/zinc/29/31/30/344293130.db2.gz FPLMUXGYJGVSQN-JTQLQIEISA-N -1 1 252.314 1.718 20 0 CDADMM CSc1ccc(C(=O)[N-]c2nn3cnnc3s2)o1 ZINC000602321288 344398009 /nfs/dbraw/zinc/39/80/09/344398009.db2.gz CSSJNLMPBZKHNB-UHFFFAOYSA-N -1 1 281.322 1.175 20 0 CDADMM C[C@@H]1C[C@@H](C)[C@@H](C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)O1 ZINC000283227499 297236263 /nfs/dbraw/zinc/23/62/63/297236263.db2.gz OXURZQYEGHZPDS-YFVVLZJCSA-N -1 1 274.324 1.094 20 0 CDADMM Cc1ccc(-c2cc(=NC(=O)[C@@H](N)C3CCC3)[nH][n-]2)s1 ZINC000569689891 362408889 /nfs/dbraw/zinc/40/88/89/362408889.db2.gz BBUGMMLSQBWWPT-ZDUSSCGKSA-N -1 1 290.392 1.934 20 0 CDADMM CC[C@H](C)C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000095274253 344877377 /nfs/dbraw/zinc/87/73/77/344877377.db2.gz VPXOELFTBDXPHL-GXSJLCMTSA-N -1 1 259.313 1.451 20 0 CDADMM CC(C)c1noc([C@H](C)N2CCN([C@@H](C)C(=O)[O-])CC2)n1 ZINC000604774340 344930378 /nfs/dbraw/zinc/93/03/78/344930378.db2.gz QZBFFSQBZNMZRU-QWRGUYRKSA-N -1 1 296.371 1.345 20 0 CDADMM O=C(c1cncc([O-])c1)N1CCOC[C@@H]1c1ccco1 ZINC000604902510 344944003 /nfs/dbraw/zinc/94/40/03/344944003.db2.gz DJCZAZXIUJZSQY-GFCCVEGCSA-N -1 1 274.276 1.594 20 0 CDADMM Cc1cnc([C@H](C)CNC(=O)CCCc2nn[n-]n2)s1 ZINC000635796345 362557602 /nfs/dbraw/zinc/55/76/02/362557602.db2.gz ACOJMWYBVRHAMA-MRVPVSSYSA-N -1 1 294.384 1.207 20 0 CDADMM CCN(C[C@H]1CCCO1)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000607055903 345185808 /nfs/dbraw/zinc/18/58/08/345185808.db2.gz ZZRLBAKZUKIRDC-LLVKDONJSA-N -1 1 295.408 1.780 20 0 CDADMM COC[C@@H](C)[C@@H](C)C(=O)NCc1cc(=O)[n-]c(SC)n1 ZINC000640655024 362650280 /nfs/dbraw/zinc/65/02/80/362650280.db2.gz HXLJNLHULDUNBS-RKDXNWHRSA-N -1 1 299.396 1.439 20 0 CDADMM CCO[C@@H](C(=O)NCc1cc(=O)[n-]c(SC)n1)C1CC1 ZINC000640654597 362637701 /nfs/dbraw/zinc/63/77/01/362637701.db2.gz VYUWCWMHHIVCJP-LLVKDONJSA-N -1 1 297.380 1.335 20 0 CDADMM CC[C@@H](C)[C@H](NC(=O)CCCc1nn[n-]n1)C(F)(F)F ZINC000635861939 362640280 /nfs/dbraw/zinc/64/02/80/362640280.db2.gz YXXURMWSMGJION-XCBNKYQSSA-N -1 1 293.293 1.616 20 0 CDADMM O=C(CC1CCC1)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000608355710 345733492 /nfs/dbraw/zinc/73/34/92/345733492.db2.gz CZTQJABVJFNOFH-CYBMUJFWSA-N -1 1 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Cn1cc(C(F)F)c(CNC[C@@H]2[C@H](C(=O)[O-])C2(F)F)n1 ZINC001600937511 1174670715 /nfs/dbraw/zinc/67/07/15/1174670715.db2.gz CYZRYOZRELBICF-HTRCEHHLSA-N -1 1 295.236 1.413 20 0 CDADMM Cn1cc(CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c(C(F)F)n1 ZINC001600954182 1174677954 /nfs/dbraw/zinc/67/79/54/1174677954.db2.gz XZZGSBQZEGJAAT-BRPSZJMVSA-N -1 1 271.267 1.120 20 0 CDADMM Fc1ccc(CCNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC000737648326 574432331 /nfs/dbraw/zinc/43/23/31/574432331.db2.gz IPISPQRAPIMUDP-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM Fc1ccc(CCNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC000737648326 574432332 /nfs/dbraw/zinc/43/23/32/574432332.db2.gz IPISPQRAPIMUDP-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM C[C@@H]1CN(Cc2ccccc2NCC(=O)[O-])C[C@H](C)O1 ZINC000737764754 574504208 /nfs/dbraw/zinc/50/42/08/574504208.db2.gz SXZDYTATXCUZNE-TXEJJXNPSA-N -1 1 278.352 1.792 20 0 CDADMM Cc1cc([C@H]2CCCN2CCC(=O)N(C)CC(=O)[O-])no1 ZINC000738378008 574525068 /nfs/dbraw/zinc/52/50/68/574525068.db2.gz CUGXOHIHCACHQG-GFCCVEGCSA-N -1 1 295.339 1.053 20 0 CDADMM COC(=O)c1ccoc1CN(CCC(=O)[O-])C(C)C ZINC000737712926 574706939 /nfs/dbraw/zinc/70/69/39/574706939.db2.gz PPIOXTVGPCXHDP-UHFFFAOYSA-N -1 1 269.297 1.751 20 0 CDADMM CC(C)(CNC(=O)c1c([O-])cccc1Cl)C(N)=O ZINC000769709648 575375721 /nfs/dbraw/zinc/37/57/21/575375721.db2.gz IQIVCANMAIVQLQ-UHFFFAOYSA-N -1 1 270.716 1.287 20 0 CDADMM CN(C)C(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730360613 574925342 /nfs/dbraw/zinc/92/53/42/574925342.db2.gz ZAOJQPFTEVOVKY-UHFFFAOYSA-N -1 1 292.118 1.944 20 0 CDADMM C[C@@H](O)C[C@@H](C)CNc1cccc(-c2nnn[n-]2)n1 ZINC000736144978 575577952 /nfs/dbraw/zinc/57/79/52/575577952.db2.gz RXRIRNFWROHYAL-RKDXNWHRSA-N -1 1 262.317 1.081 20 0 CDADMM C[C@@H](O)C[C@@H](C)CNc1cccc(-c2nn[n-]n2)n1 ZINC000736144978 575577953 /nfs/dbraw/zinc/57/79/53/575577953.db2.gz RXRIRNFWROHYAL-RKDXNWHRSA-N -1 1 262.317 1.081 20 0 CDADMM O=C([O-])[C@H](N[C@@H]1CCOC1)c1c(F)cccc1Cl ZINC001601670804 1174937854 /nfs/dbraw/zinc/93/78/54/1174937854.db2.gz ZMZYVQXYWYOKRK-RDDDGLTNSA-N -1 1 273.691 1.983 20 0 CDADMM O=C([O-])[C@H](O)C1CCN(Cc2ccc3c(n2)CCC3)CC1 ZINC001601684296 1174944148 /nfs/dbraw/zinc/94/41/48/1174944148.db2.gz IWQBSFCJKOYMKG-OAHLLOKOSA-N -1 1 290.363 1.228 20 0 CDADMM O=C([O-])[C@H](c1cccnc1)N1CC2(C1)CC(F)(F)C2 ZINC001601698083 1174951242 /nfs/dbraw/zinc/95/12/42/1174951242.db2.gz ILTPOEVKOCWZRV-JTQLQIEISA-N -1 1 268.263 1.938 20 0 CDADMM C[C@H](c1nc(-c2cccnc2)no1)N(C)CCC(=O)[O-] ZINC000737721165 575019434 /nfs/dbraw/zinc/01/94/34/575019434.db2.gz NCVXCNJWWMGARR-SECBINFHSA-N -1 1 276.296 1.599 20 0 CDADMM O=C(NCCOC[C@H]1CCOC1)c1c([O-])cccc1Cl ZINC000731839665 575065039 /nfs/dbraw/zinc/06/50/39/575065039.db2.gz XYRCJAKLKIRYOW-JTQLQIEISA-N -1 1 299.754 1.829 20 0 CDADMM CN(C(=O)c1c([O-])cccc1Cl)[C@@H]1CCCCNC1=O ZINC000769754324 575381071 /nfs/dbraw/zinc/38/10/71/575381071.db2.gz UAJLMRAHQZWPOV-SNVBAGLBSA-N -1 1 296.754 1.786 20 0 CDADMM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1cncc([O-])c1 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ZINC000736159117 575579815 /nfs/dbraw/zinc/57/98/15/575579815.db2.gz USGRBWOUIOPGSF-VIFPVBQESA-N -1 1 296.290 1.575 20 0 CDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccnc1 ZINC000736159117 575579817 /nfs/dbraw/zinc/57/98/17/575579817.db2.gz USGRBWOUIOPGSF-VIFPVBQESA-N -1 1 296.290 1.575 20 0 CDADMM Cc1cc(C)c(C=CC(=O)Nc2nnn[n-]2)cc1C ZINC000736157988 575579834 /nfs/dbraw/zinc/57/98/34/575579834.db2.gz ZBVIHFNGDFEKPJ-PLNGDYQASA-N -1 1 257.297 1.777 20 0 CDADMM Cc1cc(C)c(C=CC(=O)Nc2nn[n-]n2)cc1C ZINC000736157988 575579835 /nfs/dbraw/zinc/57/98/35/575579835.db2.gz ZBVIHFNGDFEKPJ-PLNGDYQASA-N -1 1 257.297 1.777 20 0 CDADMM CC1(C)C[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736210790 575591278 /nfs/dbraw/zinc/59/12/78/575591278.db2.gz IPAPACSLHOQFET-SECBINFHSA-N -1 1 272.312 1.038 20 0 CDADMM CC1(C)C[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736210790 575591279 /nfs/dbraw/zinc/59/12/79/575591279.db2.gz IPAPACSLHOQFET-SECBINFHSA-N -1 1 272.312 1.038 20 0 CDADMM CC(C)N(CCC(=O)[O-])CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000736468457 575670816 /nfs/dbraw/zinc/67/08/16/575670816.db2.gz QANCTEUISBYFRV-HNNXBMFYSA-N -1 1 298.383 1.550 20 0 CDADMM C[C@H](CN(C)[C@@H](C)c1nc(-c2cccnc2)no1)C(=O)[O-] ZINC000736570131 575692467 /nfs/dbraw/zinc/69/24/67/575692467.db2.gz BIUXIHHBCYTQSA-ZJUUUORDSA-N -1 1 290.323 1.845 20 0 CDADMM CSc1n[nH]c(NC(=O)C=C2CCSCC2)n1 ZINC000772630875 575729838 /nfs/dbraw/zinc/72/98/38/575729838.db2.gz UZMGLSJIRPQFHC-UHFFFAOYSA-N -1 1 270.383 1.919 20 0 CDADMM O=C(N[C@]1(CCO)CCOC1)c1c([O-])cccc1Cl ZINC000773035656 575776039 /nfs/dbraw/zinc/77/60/39/575776039.db2.gz VPHXPBJNYSZQMV-CYBMUJFWSA-N -1 1 285.727 1.317 20 0 CDADMM CCC[C@](C)(NCC(=O)NCC1CCCCC1)C(=O)[O-] ZINC000736965564 575778522 /nfs/dbraw/zinc/77/85/22/575778522.db2.gz WSKXZIAJHFEUDF-HNNXBMFYSA-N -1 1 284.400 1.916 20 0 CDADMM O=C(c1ccc(Cl)o1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773157305 575786365 /nfs/dbraw/zinc/78/63/65/575786365.db2.gz CMRHWBQRHHMZLB-LURJTMIESA-N -1 1 299.743 1.376 20 0 CDADMM CCC[C@H](C)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773160972 575787066 /nfs/dbraw/zinc/78/70/66/575787066.db2.gz IZYNTPRRVITBBN-DTWKUNHWSA-N -1 1 269.374 1.252 20 0 CDADMM CCCN(C)CC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000737007855 575792779 /nfs/dbraw/zinc/79/27/79/575792779.db2.gz OQKQTPPLWWTEDH-UHFFFAOYSA-N -1 1 290.323 1.541 20 0 CDADMM CC[N@@H+](CCC(=O)[O-])Cn1c(=O)oc2ccc(C)cc21 ZINC000737095688 575818439 /nfs/dbraw/zinc/81/84/39/575818439.db2.gz AIFVKDZPCNXXLN-UHFFFAOYSA-N -1 1 278.308 1.657 20 0 CDADMM CCN(CCC(=O)[O-])Cn1c(=O)oc2ccc(C)cc21 ZINC000737095688 575818441 /nfs/dbraw/zinc/81/84/41/575818441.db2.gz AIFVKDZPCNXXLN-UHFFFAOYSA-N -1 1 278.308 1.657 20 0 CDADMM COc1ccccc1CCNc1nccnc1-c1nnn[n-]1 ZINC000737151116 575832654 /nfs/dbraw/zinc/83/26/54/575832654.db2.gz XWOXOGNXQCIPRA-UHFFFAOYSA-N -1 1 297.322 1.320 20 0 CDADMM COc1ccccc1CCNc1nccnc1-c1nn[n-]n1 ZINC000737151116 575832657 /nfs/dbraw/zinc/83/26/57/575832657.db2.gz XWOXOGNXQCIPRA-UHFFFAOYSA-N -1 1 297.322 1.320 20 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WXNLNRWRTOACGP-UHFFFAOYSA-N -1 1 294.355 1.368 20 0 CDADMM CN(CCCC(=O)Nc1ccc2nc[nH]c2c1)C(=O)[O-] ZINC000737430486 575963612 /nfs/dbraw/zinc/96/36/12/575963612.db2.gz CEFIEGYQFKQWIP-UHFFFAOYSA-N -1 1 276.296 1.891 20 0 CDADMM Cc1n[nH]cc1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737463067 575970658 /nfs/dbraw/zinc/97/06/58/575970658.db2.gz GTCMRXCTTOMONI-UHFFFAOYSA-N -1 1 290.718 1.559 20 0 CDADMM Cc1n[nH]cc1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000737463067 575970660 /nfs/dbraw/zinc/97/06/60/575970660.db2.gz GTCMRXCTTOMONI-UHFFFAOYSA-N -1 1 290.718 1.559 20 0 CDADMM CN1CCCC[C@@H]1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000737516994 575980930 /nfs/dbraw/zinc/98/09/30/575980930.db2.gz FHBVQOSFOCXKOH-CQSZACIVSA-N -1 1 288.347 1.711 20 0 CDADMM CN1CCC[C@@H]1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000737519069 575981773 /nfs/dbraw/zinc/98/17/73/575981773.db2.gz GPADQGHSQYTYHG-UONOGXRCSA-N -1 1 290.363 1.803 20 0 CDADMM Cc1noc(C)c1CCNc1cccc(-c2nnn[n-]2)n1 ZINC000737537172 575987348 /nfs/dbraw/zinc/98/73/48/575987348.db2.gz KTMQWBJGMDBRNV-UHFFFAOYSA-N -1 1 285.311 1.521 20 0 CDADMM Cc1noc(C)c1CCNc1cccc(-c2nn[n-]n2)n1 ZINC000737537172 575987350 /nfs/dbraw/zinc/98/73/50/575987350.db2.gz KTMQWBJGMDBRNV-UHFFFAOYSA-N -1 1 285.311 1.521 20 0 CDADMM Cc1occc1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737556227 575990442 /nfs/dbraw/zinc/99/04/42/575990442.db2.gz HYJVJKIKRRYYAK-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Cc1occc1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737556227 575990444 /nfs/dbraw/zinc/99/04/44/575990444.db2.gz HYJVJKIKRRYYAK-UHFFFAOYSA-N -1 1 284.279 1.093 20 0 CDADMM Clc1nsc(NCc2cocn2)c1-c1nnn[n-]1 ZINC000737583356 575996802 /nfs/dbraw/zinc/99/68/02/575996802.db2.gz IYAXENIPMDBTRI-UHFFFAOYSA-N -1 1 283.704 1.577 20 0 CDADMM Clc1nsc(NCc2cocn2)c1-c1nn[n-]n1 ZINC000737583356 575996805 /nfs/dbraw/zinc/99/68/05/575996805.db2.gz IYAXENIPMDBTRI-UHFFFAOYSA-N -1 1 283.704 1.577 20 0 CDADMM Cn1cc(C(=O)OCc2nn[n-]n2)c(C2CCCCC2)n1 ZINC000737606403 576001080 /nfs/dbraw/zinc/00/10/80/576001080.db2.gz QWQPUWMTDYRGQU-UHFFFAOYSA-N -1 1 290.327 1.338 20 0 CDADMM CCCc1cc(C(=O)OCc2nc(=O)n(C)[n-]2)sc1C ZINC000765392592 576015667 /nfs/dbraw/zinc/01/56/67/576015667.db2.gz JMZXAHJFQUVEQC-UHFFFAOYSA-N -1 1 295.364 1.788 20 0 CDADMM Cn1[n-]c(COC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)nc1=O ZINC000765409946 576017705 /nfs/dbraw/zinc/01/77/05/576017705.db2.gz QEPMGOSNBXMRND-QWRGUYRKSA-N -1 1 291.282 1.094 20 0 CDADMM CCCc1ccc(N)c(C(=O)OCc2nc(=O)n(C)[n-]2)c1 ZINC000765437367 576022523 /nfs/dbraw/zinc/02/25/23/576022523.db2.gz MYEWGZYVHPDVHB-UHFFFAOYSA-N -1 1 290.323 1.000 20 0 CDADMM CC(C)Oc1ccccc1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765462356 576026365 /nfs/dbraw/zinc/02/63/65/576026365.db2.gz ASFYQWYTUBTBOE-UHFFFAOYSA-N -1 1 291.307 1.253 20 0 CDADMM O=C(N1CCC(c2nn[n-]n2)CC1)C1(C(F)(F)F)CC1 ZINC000737993009 576027623 /nfs/dbraw/zinc/02/76/23/576027623.db2.gz NPBLSPHUFNOHBK-UHFFFAOYSA-N -1 1 289.261 1.248 20 0 CDADMM COc1ccc([C@H](NCc2cnc(C)nc2)C(=O)[O-])cc1 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FKNYRYIDPWDEBE-KGLIPLIRSA-N -1 1 294.326 1.039 20 0 CDADMM CCc1[nH]c(C(=O)N2CCCN(C)CC2)c(C)c1C(=O)[O-] ZINC000830184045 604667194 /nfs/dbraw/zinc/66/71/94/604667194.db2.gz QZKHBZCYHSWFNK-UHFFFAOYSA-N -1 1 293.367 1.361 20 0 CDADMM CCC[C@@H](C(=O)Nc1cncc(C(=O)[O-])c1)N(C)C ZINC000833648064 604733574 /nfs/dbraw/zinc/73/35/74/604733574.db2.gz OQXGBMCMYMOABE-NSHDSACASA-N -1 1 265.313 1.449 20 0 CDADMM O=C([O-])c1cc(CN2CCS[C@H]3COCC[C@H]32)c[nH]1 ZINC000833779099 604757941 /nfs/dbraw/zinc/75/79/41/604757941.db2.gz IPKCYYIDWVUQEA-NEPJUHHUSA-N -1 1 282.365 1.419 20 0 CDADMM CNC(=O)CN(CCCC(=O)[O-])Cc1ccccc1 ZINC000830986924 604785795 /nfs/dbraw/zinc/78/57/95/604785795.db2.gz ASUMHHVHNPNFNH-UHFFFAOYSA-N -1 1 264.325 1.099 20 0 CDADMM C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000833583632 604803398 /nfs/dbraw/zinc/80/33/98/604803398.db2.gz JXFFMUTYUAGFCE-WDEREUQCSA-N -1 1 291.351 1.941 20 0 CDADMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ccon2)C1 ZINC000720388433 604933595 /nfs/dbraw/zinc/93/35/95/604933595.db2.gz CGAMSAADJQSSMH-JTQLQIEISA-N -1 1 252.314 1.997 20 0 CDADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCc2cn[nH]c2C1 ZINC000833546333 605049470 /nfs/dbraw/zinc/04/94/70/605049470.db2.gz FNOUMBFJYXVPPA-QMMMGPOBSA-N -1 1 261.281 1.820 20 0 CDADMM C[C@H]1CC[C@]2(CCN(Cn3cnc(C(=O)[O-])n3)C2)C1 ZINC000833609311 605060718 /nfs/dbraw/zinc/06/07/18/605060718.db2.gz DXDILICFPSBFTP-GWCFXTLKSA-N -1 1 264.329 1.446 20 0 CDADMM CC(C)N1CCN(C(=O)CC(C)(C)CC(=O)[O-])CC1 ZINC000061826425 605100129 /nfs/dbraw/zinc/10/01/29/605100129.db2.gz KCQXCKFUBYLION-UHFFFAOYSA-N -1 1 270.373 1.430 20 0 CDADMM CC1(C)CN(CC(F)(F)F)CCN1CC(=O)[O-] ZINC000820211723 605201845 /nfs/dbraw/zinc/20/18/45/605201845.db2.gz FLGCGHNJISHJGQ-UHFFFAOYSA-N -1 1 254.252 1.030 20 0 CDADMM CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821033451 606444386 /nfs/dbraw/zinc/44/43/86/606444386.db2.gz BGAGUDGTFIMMHH-KCJUWKMLSA-N -1 1 272.312 1.180 20 0 CDADMM CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821033451 606444387 /nfs/dbraw/zinc/44/43/87/606444387.db2.gz BGAGUDGTFIMMHH-KCJUWKMLSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC000820456589 606449578 /nfs/dbraw/zinc/44/95/78/606449578.db2.gz VKGUBYZBPHISJL-IONNQARKSA-N -1 1 294.746 1.895 20 0 CDADMM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC000820456589 606449580 /nfs/dbraw/zinc/44/95/80/606449580.db2.gz VKGUBYZBPHISJL-IONNQARKSA-N -1 1 294.746 1.895 20 0 CDADMM OC[C@H](CNc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000823705891 606478005 /nfs/dbraw/zinc/47/80/05/606478005.db2.gz IOLQDIQQJAQWJQ-LBPRGKRZSA-N -1 1 296.334 1.450 20 0 CDADMM OC[C@H](CNc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000823705891 606478007 /nfs/dbraw/zinc/47/80/07/606478007.db2.gz IOLQDIQQJAQWJQ-LBPRGKRZSA-N -1 1 296.334 1.450 20 0 CDADMM CN(Cc1ccc[nH]1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821612063 606582796 /nfs/dbraw/zinc/58/27/96/606582796.db2.gz GYGAOHKRWDZUJX-UHFFFAOYSA-N -1 1 288.336 1.529 20 0 CDADMM CN(Cc1ccc[nH]1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821612063 606582798 /nfs/dbraw/zinc/58/27/98/606582798.db2.gz GYGAOHKRWDZUJX-UHFFFAOYSA-N -1 1 288.336 1.529 20 0 CDADMM O=[N+]([O-])c1cc(N2CCSCC2)ccc1-c1nn[n-]n1 ZINC000095219783 606644652 /nfs/dbraw/zinc/64/46/52/606644652.db2.gz KQTDSLCOUBXYCE-UHFFFAOYSA-N -1 1 292.324 1.328 20 0 CDADMM C[C@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000819884764 606652385 /nfs/dbraw/zinc/65/23/85/606652385.db2.gz ZGCXVFOBYLGOSV-SECBINFHSA-N -1 1 289.339 1.987 20 0 CDADMM C[C@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000819884764 606652386 /nfs/dbraw/zinc/65/23/86/606652386.db2.gz ZGCXVFOBYLGOSV-SECBINFHSA-N -1 1 289.339 1.987 20 0 CDADMM C[C@]1(CNc2cccc(-c3nnn[n-]3)n2)CCCO1 ZINC000820623781 606723908 /nfs/dbraw/zinc/72/39/08/606723908.db2.gz YLOGUIPHELDELE-GFCCVEGCSA-N -1 1 260.301 1.243 20 0 CDADMM C[C@]1(CNc2cccc(-c3nn[n-]n3)n2)CCCO1 ZINC000820623781 606723909 /nfs/dbraw/zinc/72/39/09/606723909.db2.gz YLOGUIPHELDELE-GFCCVEGCSA-N -1 1 260.301 1.243 20 0 CDADMM CC(C)C[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820062799 606815453 /nfs/dbraw/zinc/81/54/53/606815453.db2.gz OYZJGZOQFSVQCE-MRVPVSSYSA-N -1 1 295.368 1.065 20 0 CDADMM CC(C)C[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820062799 606815455 /nfs/dbraw/zinc/81/54/55/606815455.db2.gz OYZJGZOQFSVQCE-MRVPVSSYSA-N -1 1 295.368 1.065 20 0 CDADMM Cc1ncsc1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822482298 607023339 /nfs/dbraw/zinc/02/33/39/607023339.db2.gz OZIKCCPHYBGZOI-UHFFFAOYSA-N -1 1 293.337 1.340 20 0 CDADMM Cc1ncsc1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822482298 607023340 /nfs/dbraw/zinc/02/33/40/607023340.db2.gz OZIKCCPHYBGZOI-UHFFFAOYSA-N -1 1 293.337 1.340 20 0 CDADMM Cc1cc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1F ZINC000822210843 607158685 /nfs/dbraw/zinc/15/86/85/607158685.db2.gz SWDUDTRQOPOFPR-UHFFFAOYSA-N -1 1 299.265 1.928 20 0 CDADMM Cc1cc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1F ZINC000822210843 607158687 /nfs/dbraw/zinc/15/86/87/607158687.db2.gz SWDUDTRQOPOFPR-UHFFFAOYSA-N -1 1 299.265 1.928 20 0 CDADMM C[C@@H](C[C@H]1CCOC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC000824400337 607902041 /nfs/dbraw/zinc/90/20/41/607902041.db2.gz FNKYCFUPMJWNNC-VHSXEESVSA-N -1 1 274.328 1.489 20 0 CDADMM C[C@@H](C[C@H]1CCOC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC000824400337 607902042 /nfs/dbraw/zinc/90/20/42/607902042.db2.gz FNKYCFUPMJWNNC-VHSXEESVSA-N -1 1 274.328 1.489 20 0 CDADMM CN(CC1(O)CCCC1)c1cccc(-c2nnn[n-]2)n1 ZINC000825901189 607903148 /nfs/dbraw/zinc/90/31/48/607903148.db2.gz DIUMZLMGSYPFNH-UHFFFAOYSA-N -1 1 274.328 1.003 20 0 CDADMM CN(CC1(O)CCCC1)c1cccc(-c2nn[n-]n2)n1 ZINC000825901189 607903149 /nfs/dbraw/zinc/90/31/49/607903149.db2.gz DIUMZLMGSYPFNH-UHFFFAOYSA-N -1 1 274.328 1.003 20 0 CDADMM Fc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826374755 607988019 /nfs/dbraw/zinc/98/80/19/607988019.db2.gz LGJLYTSFSOIZMT-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM Fc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826374755 607988020 /nfs/dbraw/zinc/98/80/20/607988020.db2.gz LGJLYTSFSOIZMT-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM CC(C)Oc1ccc(Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000824325000 608147842 /nfs/dbraw/zinc/14/78/42/608147842.db2.gz XZFPRUPZQVLRCS-UHFFFAOYSA-N -1 1 284.323 1.899 20 0 CDADMM CC(C)Oc1ccc(Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000824325000 608147844 /nfs/dbraw/zinc/14/78/44/608147844.db2.gz XZFPRUPZQVLRCS-UHFFFAOYSA-N -1 1 284.323 1.899 20 0 CDADMM C[C@@H]1c2ccsc2CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000825029431 608391396 /nfs/dbraw/zinc/39/13/96/608391396.db2.gz SHJLRFWDJNCFDA-MRVPVSSYSA-N -1 1 299.363 1.842 20 0 CDADMM C[C@@H]1c2ccsc2CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000825029431 608391398 /nfs/dbraw/zinc/39/13/98/608391398.db2.gz SHJLRFWDJNCFDA-MRVPVSSYSA-N -1 1 299.363 1.842 20 0 CDADMM Cc1ccc([C@@H](O)CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826284056 608398467 /nfs/dbraw/zinc/39/84/67/608398467.db2.gz ISXMPIRGEVOUNK-LBPRGKRZSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1ccc([C@@H](O)CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826284056 608398469 /nfs/dbraw/zinc/39/84/69/608398469.db2.gz ISXMPIRGEVOUNK-LBPRGKRZSA-N -1 1 297.322 1.111 20 0 CDADMM Oc1ccccc1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826511329 608402453 /nfs/dbraw/zinc/40/24/53/608402453.db2.gz LFPPYNBTSMULDN-UHFFFAOYSA-N -1 1 283.295 1.017 20 0 CDADMM Oc1ccccc1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826511329 608402454 /nfs/dbraw/zinc/40/24/54/608402454.db2.gz LFPPYNBTSMULDN-UHFFFAOYSA-N -1 1 283.295 1.017 20 0 CDADMM CC(C)(C)CCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000824087631 608420739 /nfs/dbraw/zinc/42/07/39/608420739.db2.gz ZXWBIINKDBENPK-UHFFFAOYSA-N -1 1 261.333 1.895 20 0 CDADMM CC(C)(C)CCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000824087631 608420740 /nfs/dbraw/zinc/42/07/40/608420740.db2.gz ZXWBIINKDBENPK-UHFFFAOYSA-N -1 1 261.333 1.895 20 0 CDADMM CC[C@H](C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825058818 608424793 /nfs/dbraw/zinc/42/47/93/608424793.db2.gz AGFDQXUSIMZCCK-DTWKUNHWSA-N -1 1 261.333 1.893 20 0 CDADMM CC[C@H](C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825058818 608424794 /nfs/dbraw/zinc/42/47/94/608424794.db2.gz AGFDQXUSIMZCCK-DTWKUNHWSA-N -1 1 261.333 1.893 20 0 CDADMM c1cc(N2CCC3(CCCC3)C2)nnc1-c1nnn[n-]1 ZINC000826516374 608427073 /nfs/dbraw/zinc/42/70/73/608427073.db2.gz IEOIYXQHVIQLOO-UHFFFAOYSA-N -1 1 271.328 1.427 20 0 CDADMM c1cc(N2CCC3(CCCC3)C2)nnc1-c1nn[n-]n1 ZINC000826516374 608427074 /nfs/dbraw/zinc/42/70/74/608427074.db2.gz IEOIYXQHVIQLOO-UHFFFAOYSA-N -1 1 271.328 1.427 20 0 CDADMM Cc1cccc([C@H](O)CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826297052 608434300 /nfs/dbraw/zinc/43/43/00/608434300.db2.gz TUJBQSXMHORFFJ-GFCCVEGCSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1cccc([C@H](O)CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826297052 608434301 /nfs/dbraw/zinc/43/43/01/608434301.db2.gz TUJBQSXMHORFFJ-GFCCVEGCSA-N -1 1 297.322 1.111 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000826513983 608437924 /nfs/dbraw/zinc/43/79/24/608437924.db2.gz CLNIZJAHUJHKAF-FXAINCCUSA-N -1 1 299.338 1.026 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000826513983 608437926 /nfs/dbraw/zinc/43/79/26/608437926.db2.gz CLNIZJAHUJHKAF-FXAINCCUSA-N -1 1 299.338 1.026 20 0 CDADMM CSC[C@@](C)(O)CNc1nc(-c2nn[n-]n2)ccc1C ZINC000826227355 608544180 /nfs/dbraw/zinc/54/41/80/608544180.db2.gz PNXVRDJDVOEAPA-LBPRGKRZSA-N -1 1 294.384 1.096 20 0 CDADMM CC[C@H](C)n1nc(Nc2ccc(-c3nnn[n-]3)nn2)cc1C ZINC000825081648 608587194 /nfs/dbraw/zinc/58/71/94/608587194.db2.gz LJHNIBANCLHYKC-QMMMGPOBSA-N -1 1 299.342 1.876 20 0 CDADMM CC[C@H](C)n1nc(Nc2ccc(-c3nn[n-]n3)nn2)cc1C ZINC000825081648 608587195 /nfs/dbraw/zinc/58/71/95/608587195.db2.gz LJHNIBANCLHYKC-QMMMGPOBSA-N -1 1 299.342 1.876 20 0 CDADMM c1csc(Sc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000095184662 608741763 /nfs/dbraw/zinc/74/17/63/608741763.db2.gz CNHQDBPVJJAENI-UHFFFAOYSA-N -1 1 262.323 1.869 20 0 CDADMM c1csc(Sc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000095184662 608741767 /nfs/dbraw/zinc/74/17/67/608741767.db2.gz CNHQDBPVJJAENI-UHFFFAOYSA-N -1 1 262.323 1.869 20 0 CDADMM COC(=O)CN(Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000826138273 608831707 /nfs/dbraw/zinc/83/17/07/608831707.db2.gz NDNGMCVIMPUGCM-UHFFFAOYSA-N -1 1 293.352 1.066 20 0 CDADMM O=C(O[C@H]1C=CCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000826461894 609158974 /nfs/dbraw/zinc/15/89/74/609158974.db2.gz JJFVLXIUDDYAPS-ZETCQYMHSA-N -1 1 262.294 1.804 20 0 CDADMM O=C(O[C@H]1C=CCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000826461894 609158976 /nfs/dbraw/zinc/15/89/76/609158976.db2.gz JJFVLXIUDDYAPS-ZETCQYMHSA-N -1 1 262.294 1.804 20 0 CDADMM C[C@@]1(C2CC2)COCCN1C(=O)c1ncccc1[O-] ZINC000890590125 617224623 /nfs/dbraw/zinc/22/46/23/617224623.db2.gz YOOGWHTUOIODFP-AWEZNQCLSA-N -1 1 262.309 1.428 20 0 CDADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@@H](O)[C@@H](F)C1 ZINC000890687898 617276039 /nfs/dbraw/zinc/27/60/39/617276039.db2.gz NXTHAPMGBREUJK-JGVFFNPUSA-N -1 1 275.226 1.215 20 0 CDADMM O=C(N=S1(=O)CCOCC1)c1nc[n-]c1C(F)(F)F ZINC000891371123 617370639 /nfs/dbraw/zinc/37/06/39/617370639.db2.gz JQPSTAPHXDTNAW-UHFFFAOYSA-N -1 1 297.258 1.067 20 0 CDADMM CCC(CC)[C@H](O)CNc1cc(=O)[n-]c(COC)n1 ZINC000892466674 617395768 /nfs/dbraw/zinc/39/57/68/617395768.db2.gz GFVYNTLUAGKOET-SNVBAGLBSA-N -1 1 269.345 1.538 20 0 CDADMM CC(C)[C@@H]1CN(C)CCN1C(=O)c1cccc(F)c1[O-] ZINC000933293018 617385475 /nfs/dbraw/zinc/38/54/75/617385475.db2.gz JZCUMDVIVCVODI-ZDUSSCGKSA-N -1 1 280.343 1.944 20 0 CDADMM CC(C)C(=O)N1CC[C@](C)(NC(=O)c2ncccc2[O-])C1 ZINC000956849824 614397099 /nfs/dbraw/zinc/39/70/99/614397099.db2.gz ZGSNKYFCFVJGMC-HNNXBMFYSA-N -1 1 291.351 1.164 20 0 CDADMM COC1(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CC1 ZINC000891613055 617504406 /nfs/dbraw/zinc/50/44/06/617504406.db2.gz DPCGYVGFIJIDOR-UHFFFAOYSA-N -1 1 263.297 1.179 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccoc1 ZINC000891627524 617512637 /nfs/dbraw/zinc/51/26/37/617512637.db2.gz WUFKIEPIFCYYAG-UHFFFAOYSA-N -1 1 259.265 1.906 20 0 CDADMM COCc1nc(NCCc2cscn2)cc(=O)[n-]1 ZINC000892595945 617526191 /nfs/dbraw/zinc/52/61/91/617526191.db2.gz BKTLRGQUVUEXQY-UHFFFAOYSA-N -1 1 266.326 1.440 20 0 CDADMM CC[C@H](C)C(=O)N1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000949532279 615641589 /nfs/dbraw/zinc/64/15/89/615641589.db2.gz ZSSISLGTGFQNFY-QWRGUYRKSA-N -1 1 291.351 1.164 20 0 CDADMM COCc1nc(NCCCOC[C@H]2CCOC2)cc(=O)[n-]1 ZINC000892649183 617560749 /nfs/dbraw/zinc/56/07/49/617560749.db2.gz WFPSZWDUCNAOAB-LLVKDONJSA-N -1 1 297.355 1.184 20 0 CDADMM COCc1nc(N[C@@H]2c3ccccc3C[C@@H]2O)cc(=O)[n-]1 ZINC000891830512 617630467 /nfs/dbraw/zinc/63/04/67/617630467.db2.gz YZNFALOBRLABOE-XHDPSFHLSA-N -1 1 287.319 1.399 20 0 CDADMM C[C@@](NC(=O)c1cccc2nc[nH]c21)(C(=O)[O-])C1CC1 ZINC000909325850 617679935 /nfs/dbraw/zinc/67/99/35/617679935.db2.gz MTNNYGWTURRJJH-AWEZNQCLSA-N -1 1 273.292 1.546 20 0 CDADMM COCc1nc(NCc2ccc(C)nc2)cc(=O)[n-]1 ZINC000891870979 617697231 /nfs/dbraw/zinc/69/72/31/617697231.db2.gz HWHWRYMAKKAMHV-UHFFFAOYSA-N -1 1 260.297 1.644 20 0 CDADMM CC(C)OC(=O)c1cc(NC(=O)[C@H]2CCCOCC2)n[nH]1 ZINC000888119078 620750215 /nfs/dbraw/zinc/75/02/15/620750215.db2.gz RVIUFSRYDDJQLW-JTQLQIEISA-N -1 1 295.339 1.730 20 0 CDADMM C[C@H](OC1CCCCCC1)C(=O)N(C)c1nn[n-]n1 ZINC000892954312 617975460 /nfs/dbraw/zinc/97/54/60/617975460.db2.gz IEXQCKVIVXXYPX-VIFPVBQESA-N -1 1 267.333 1.290 20 0 CDADMM COCc1nc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc(=O)[n-]1 ZINC000892968648 618000312 /nfs/dbraw/zinc/00/03/12/618000312.db2.gz MROCOAJQPGPUTK-FZZIBODNSA-N -1 1 291.351 1.698 20 0 CDADMM CN(C)CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000909390822 618062136 /nfs/dbraw/zinc/06/21/36/618062136.db2.gz JUAWZRZWUUHUAV-NSHDSACASA-N -1 1 288.706 1.283 20 0 CDADMM CC(C)N1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)CC1 ZINC000901942372 618379461 /nfs/dbraw/zinc/37/94/61/618379461.db2.gz RJXRQORMWLJWJD-XQRVVYSFSA-N -1 1 292.335 1.544 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3cnc(-c4ccccc4)[nH]3)C[C@@H]21 ZINC000910800615 618497373 /nfs/dbraw/zinc/49/73/73/618497373.db2.gz XHILOBYAYZYFOX-PJXYFTJBSA-N -1 1 297.314 1.479 20 0 CDADMM Cc1cc(CC(=O)NC[C@H](CC(C)C)C(=O)[O-])[nH]n1 ZINC000818326450 618506987 /nfs/dbraw/zinc/50/69/87/618506987.db2.gz 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Cc1cc(-c2nn[n-]n2)nc(NCc2ccoc2)n1 ZINC001605583805 1163615308 /nfs/dbraw/zinc/61/53/08/1163615308.db2.gz LKMNQROUDKOXMH-UHFFFAOYSA-N -1 1 257.257 1.170 20 0 CDADMM Cc1cc(N2C[C@H](C)O[C@H](C)[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001605689243 1163643693 /nfs/dbraw/zinc/64/36/93/1163643693.db2.gz QXHSBJMKIPSCEF-HBNTYKKESA-N -1 1 288.355 1.572 20 0 CDADMM Cc1cc(N2C[C@H](C)O[C@H](C)[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001605689243 1163643697 /nfs/dbraw/zinc/64/36/97/1163643697.db2.gz QXHSBJMKIPSCEF-HBNTYKKESA-N -1 1 288.355 1.572 20 0 CDADMM Cc1ccc(N[C@H](C)C[C@H](C)O)nc1-c1nnn[n-]1 ZINC001605871182 1163699809 /nfs/dbraw/zinc/69/98/09/1163699809.db2.gz BTVPLRIHXJGUEC-BDAKNGLRSA-N -1 1 262.317 1.141 20 0 CDADMM Cc1ccc(N[C@H](C)C[C@H](C)O)nc1-c1nn[n-]n1 ZINC001605871182 1163699811 /nfs/dbraw/zinc/69/98/11/1163699811.db2.gz BTVPLRIHXJGUEC-BDAKNGLRSA-N -1 1 262.317 1.141 20 0 CDADMM Cc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)nc1 ZINC001605871747 1163700021 /nfs/dbraw/zinc/70/00/21/1163700021.db2.gz KIIGPFIDXRTMQR-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)nc1 ZINC001605871747 1163700025 /nfs/dbraw/zinc/70/00/25/1163700025.db2.gz KIIGPFIDXRTMQR-UHFFFAOYSA-N -1 1 281.279 1.217 20 0 CDADMM Cc1ccc(NC[C@@H]2CCCCO2)c(-c2nnn[n-]2)n1 ZINC001605874782 1163701400 /nfs/dbraw/zinc/70/14/00/1163701400.db2.gz QUABRQZVNGQIPI-JTQLQIEISA-N -1 1 274.328 1.551 20 0 CDADMM Cc1ccc(NC[C@@H]2CCCCO2)c(-c2nn[n-]n2)n1 ZINC001605874782 1163701408 /nfs/dbraw/zinc/70/14/08/1163701408.db2.gz QUABRQZVNGQIPI-JTQLQIEISA-N -1 1 274.328 1.551 20 0 CDADMM CCn1ccc(CN2CCC[C@](C)(C(=O)[O-])C2)n1 ZINC001605928336 1163717068 /nfs/dbraw/zinc/71/70/68/1163717068.db2.gz ZUCGRYMWTWRGQD-ZDUSSCGKSA-N -1 1 251.330 1.590 20 0 CDADMM Cc1cnc(CNc2n[nH]c(C)c2-c2nnn[n-]2)s1 ZINC001605979382 1163735211 /nfs/dbraw/zinc/73/52/11/1163735211.db2.gz MSESHGAEBZOJGK-UHFFFAOYSA-N -1 1 276.329 1.275 20 0 CDADMM Cc1cnc(CNc2n[nH]c(C)c2-c2nn[n-]n2)s1 ZINC001605979382 1163735218 /nfs/dbraw/zinc/73/52/18/1163735218.db2.gz MSESHGAEBZOJGK-UHFFFAOYSA-N -1 1 276.329 1.275 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(CC(=O)c2ccns2)c1C ZINC001606020756 1163748676 /nfs/dbraw/zinc/74/86/76/1163748676.db2.gz BDJRYHRASAGEKS-UHFFFAOYSA-N -1 1 289.324 1.019 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(CC(=O)c2ccns2)c1C ZINC001606020756 1163748684 /nfs/dbraw/zinc/74/86/84/1163748684.db2.gz BDJRYHRASAGEKS-UHFFFAOYSA-N -1 1 289.324 1.019 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC(F)(F)F ZINC001606169187 1163797267 /nfs/dbraw/zinc/79/72/67/1163797267.db2.gz DVUPYDQUFPQFIO-UHFFFAOYSA-N -1 1 276.174 1.487 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC(F)(F)F ZINC001606169187 1163797274 /nfs/dbraw/zinc/79/72/74/1163797274.db2.gz DVUPYDQUFPQFIO-UHFFFAOYSA-N -1 1 276.174 1.487 20 0 CDADMM Cn1nc(CNc2n[nH]cc2-c2nnn[n-]2)c2ccccc21 ZINC001606271546 1163833284 /nfs/dbraw/zinc/83/32/84/1163833284.db2.gz NQKATJBRJRARDA-UHFFFAOYSA-N -1 1 295.310 1.089 20 0 CDADMM Cn1nc(CNc2n[nH]cc2-c2nn[n-]n2)c2ccccc21 ZINC001606271546 1163833290 /nfs/dbraw/zinc/83/32/90/1163833290.db2.gz NQKATJBRJRARDA-UHFFFAOYSA-N -1 1 295.310 1.089 20 0 CDADMM FC1(F)CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001606301717 1163849138 /nfs/dbraw/zinc/84/91/38/1163849138.db2.gz XECFAFIOTRCKPV-QMMMGPOBSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(F)CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001606301717 1163849144 /nfs/dbraw/zinc/84/91/44/1163849144.db2.gz XECFAFIOTRCKPV-QMMMGPOBSA-N -1 1 295.297 1.894 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1CCCC12CC2 ZINC001606594635 1163934160 /nfs/dbraw/zinc/93/41/60/1163934160.db2.gz KFIJGKWCVUHPEN-GFCCVEGCSA-N -1 1 298.350 1.253 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1CCCC12CC2 ZINC001606594635 1163934164 /nfs/dbraw/zinc/93/41/64/1163934164.db2.gz KFIJGKWCVUHPEN-GFCCVEGCSA-N -1 1 298.350 1.253 20 0 CDADMM COC(=O)c1csc(CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1 ZINC001606631280 1163940276 /nfs/dbraw/zinc/94/02/76/1163940276.db2.gz SSELSYZKZDNNMU-URLYPYJESA-N -1 1 281.333 1.297 20 0 CDADMM O=C(NCCC1(F)CCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606758630 1163985652 /nfs/dbraw/zinc/98/56/52/1163985652.db2.gz XXTUBDZUBBKGPR-UHFFFAOYSA-N -1 1 290.302 1.274 20 0 CDADMM O=C(NCCC1(F)CCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606758630 1163985656 /nfs/dbraw/zinc/98/56/56/1163985656.db2.gz XXTUBDZUBBKGPR-UHFFFAOYSA-N -1 1 290.302 1.274 20 0 CDADMM COC[C@H](N)C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001606938026 1164032689 /nfs/dbraw/zinc/03/26/89/1164032689.db2.gz XYZQRBNGAXIJOJ-VIFPVBQESA-N -1 1 284.337 1.019 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCCCCO1 ZINC001606944147 1164033562 /nfs/dbraw/zinc/03/35/62/1164033562.db2.gz MHEUEOPWYSVTRA-UHFFFAOYSA-N -1 1 289.299 1.211 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCCCCO1 ZINC001606944147 1164033567 /nfs/dbraw/zinc/03/35/67/1164033567.db2.gz MHEUEOPWYSVTRA-UHFFFAOYSA-N -1 1 289.299 1.211 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1ccnc(F)c1 ZINC001606934917 1164033641 /nfs/dbraw/zinc/03/36/41/1164033641.db2.gz NDTJSYCCAUSOHE-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1ccnc(F)c1 ZINC001606934917 1164033644 /nfs/dbraw/zinc/03/36/44/1164033644.db2.gz NDTJSYCCAUSOHE-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](CF)C1 ZINC001607017392 1164060354 /nfs/dbraw/zinc/06/03/54/1164060354.db2.gz SXHRDSHYAWTOJC-VIFPVBQESA-N -1 1 290.302 1.083 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](CF)C1 ZINC001607017392 1164060359 /nfs/dbraw/zinc/06/03/59/1164060359.db2.gz SXHRDSHYAWTOJC-VIFPVBQESA-N -1 1 290.302 1.083 20 0 CDADMM OCCC1(CNc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001607106168 1164085548 /nfs/dbraw/zinc/08/55/48/1164085548.db2.gz RXSCTZVWUFSSCW-UHFFFAOYSA-N -1 1 289.343 1.011 20 0 CDADMM OCCC1(CNc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001607106168 1164085554 /nfs/dbraw/zinc/08/55/54/1164085554.db2.gz RXSCTZVWUFSSCW-UHFFFAOYSA-N -1 1 289.343 1.011 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1CSC[C@@H]1CCCO1 ZINC001607117742 1164100082 /nfs/dbraw/zinc/10/00/82/1164100082.db2.gz URTSOHNBDYKDNK-QMMMGPOBSA-N -1 1 266.326 1.872 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CC[C@H](c3cnccn3)C2)c1 ZINC001607116512 1164095036 /nfs/dbraw/zinc/09/50/36/1164095036.db2.gz NMUCJHDKEDDIIR-JTQLQIEISA-N -1 1 294.322 1.046 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CC[C@H](c3cnccn3)C2)c1 ZINC001607116512 1164095041 /nfs/dbraw/zinc/09/50/41/1164095041.db2.gz NMUCJHDKEDDIIR-JTQLQIEISA-N -1 1 294.322 1.046 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CSC[C@@H]1CCCO1 ZINC001607117742 1164100078 /nfs/dbraw/zinc/10/00/78/1164100078.db2.gz URTSOHNBDYKDNK-QMMMGPOBSA-N -1 1 266.326 1.872 20 0 CDADMM c1ccc(C[C@@H]2C[C@@H]2Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001607129613 1164109523 /nfs/dbraw/zinc/10/95/23/1164109523.db2.gz MRSQPYAQQUPZFO-NEPJUHHUSA-N -1 1 293.334 1.122 20 0 CDADMM c1ccc2c(c1)CO[C@H]2CNc1ncncc1-c1nn[n-]n1 ZINC001607132494 1164110913 /nfs/dbraw/zinc/11/09/13/1164110913.db2.gz KFUUZYFITPEVJY-LBPRGKRZSA-N -1 1 295.306 1.340 20 0 CDADMM c1ccc2nc(Oc3cccnc3-c3nnn[n-]3)cnc2c1 ZINC001607134111 1164111869 /nfs/dbraw/zinc/11/18/69/1164111869.db2.gz VSIAVWKHCTYRTK-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1ccc2nc(Oc3cccnc3-c3nn[n-]n3)cnc2c1 ZINC001607134111 1164111871 /nfs/dbraw/zinc/11/18/71/1164111871.db2.gz VSIAVWKHCTYRTK-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCc2noc3c2CCCC3)n1 ZINC001607134044 1164112630 /nfs/dbraw/zinc/11/26/30/1164112630.db2.gz SMPIBPRUVACFAS-UHFFFAOYSA-N -1 1 298.310 1.136 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCc2noc3c2CCCC3)n1 ZINC001607134044 1164112636 /nfs/dbraw/zinc/11/26/36/1164112636.db2.gz SMPIBPRUVACFAS-UHFFFAOYSA-N -1 1 298.310 1.136 20 0 CDADMM O=C(Nc1ccnc(-n2cccn2)c1)c1cncc([O-])c1 ZINC001607239987 1164135597 /nfs/dbraw/zinc/13/55/97/1164135597.db2.gz ISOKPUNPWPZQCU-UHFFFAOYSA-N -1 1 281.275 1.620 20 0 CDADMM COc1cccc(CN[C@H](CC(F)(F)F)C(=O)[O-])n1 ZINC001607323203 1164148553 /nfs/dbraw/zinc/14/85/53/1164148553.db2.gz CKNGZEQAJUDHEK-MRVPVSSYSA-N -1 1 278.230 1.585 20 0 CDADMM COc1ccnc(CNC2(CC(=O)[O-])CC2)c1OC ZINC001607350627 1164153638 /nfs/dbraw/zinc/15/36/38/1164153638.db2.gz BEQNRRZOKKELQU-UHFFFAOYSA-N -1 1 266.297 1.196 20 0 CDADMM C[C@H]1CN(CCN2CCc3ccccc32)C[C@@H](C(=O)[O-])O1 ZINC001607476756 1164196792 /nfs/dbraw/zinc/19/67/92/1164196792.db2.gz VFRXHQMLARDNGO-WFASDCNBSA-N -1 1 290.363 1.223 20 0 CDADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cs1 ZINC001607572247 1164229554 /nfs/dbraw/zinc/22/95/54/1164229554.db2.gz ZLWYUFLPKBHWQL-JTQLQIEISA-N -1 1 296.392 1.678 20 0 CDADMM Cc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001607780035 1164293013 /nfs/dbraw/zinc/29/30/13/1164293013.db2.gz QTHRFINBJJRPJM-NSHDSACASA-N -1 1 263.293 1.600 20 0 CDADMM Cc1ccc(-n2[nH]c([C@H]3CCOC3)cc2=O)cc1C(=O)[O-] ZINC001607795180 1164298723 /nfs/dbraw/zinc/29/87/23/1164298723.db2.gz YJQPPUQVGALFGT-JTQLQIEISA-N -1 1 288.303 1.822 20 0 CDADMM Cn1c(CNCC(=O)NC2CCCCC2)ccc1C(=O)[O-] ZINC001608104351 1164409714 /nfs/dbraw/zinc/40/97/14/1164409714.db2.gz LQVXOWAICLYIJD-UHFFFAOYSA-N -1 1 293.367 1.262 20 0 CDADMM N[C@H](C(=O)NC[C@H]1C[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC001608249861 1164466783 /nfs/dbraw/zinc/46/67/83/1164466783.db2.gz ZUQMZOGZHJISJH-IEBDPFPHSA-N -1 1 282.727 1.177 20 0 CDADMM NCc1nccnc1N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001608258114 1164472655 /nfs/dbraw/zinc/47/26/55/1164472655.db2.gz FQNDLZTUMJXPKE-UHFFFAOYSA-N -1 1 284.319 1.196 20 0 CDADMM Nc1cc(CCCCNc2cnc(C(=O)[O-])cn2)ccn1 ZINC001608271924 1164475810 /nfs/dbraw/zinc/47/58/10/1164475810.db2.gz FDCPMYBSGOLJKZ-UHFFFAOYSA-N -1 1 287.323 1.587 20 0 CDADMM O=C([O-])C=Cc1ccc(CNCc2n[nH]c(C3CC3)n2)o1 ZINC001608660138 1164593878 /nfs/dbraw/zinc/59/38/78/1164593878.db2.gz LUHARKYGGPPBSO-WAYWQWQTSA-N -1 1 288.307 1.663 20 0 CDADMM Cc1ccn(C[C@@H](C)C(=O)[N-]O[C@H]2CCCCO2)n1 ZINC000865080910 1164608411 /nfs/dbraw/zinc/60/84/11/1164608411.db2.gz WYRUJQNZOFSQOK-PWSUYJOCSA-N -1 1 267.329 1.402 20 0 CDADMM O=C([O-])CC1CCN(CN2C(=O)CC23CCCC3)CC1 ZINC001608698006 1164610473 /nfs/dbraw/zinc/61/04/73/1164610473.db2.gz BHEJUMKLPDVOQH-UHFFFAOYSA-N -1 1 280.368 1.676 20 0 CDADMM O=C([O-])c1cc(CNc2cc3c(cn2)CCC3)on1 ZINC001608843456 1164660653 /nfs/dbraw/zinc/66/06/53/1164660653.db2.gz MGOHFWRSBGCAMO-UHFFFAOYSA-N -1 1 259.265 1.869 20 0 CDADMM O=C([O-])c1cnoc1CN1CC[C@@H](n2cccn2)C1 ZINC001608984638 1164707184 /nfs/dbraw/zinc/70/71/84/1164707184.db2.gz LSDUGRLBEYYANH-SECBINFHSA-N -1 1 262.269 1.016 20 0 CDADMM C[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])C1CCC1 ZINC001609070767 1164757631 /nfs/dbraw/zinc/75/76/31/1164757631.db2.gz WJMWAHZAVTYFHZ-MRVPVSSYSA-N -1 1 287.323 1.947 20 0 CDADMM C[C@@H](COC(=O)c1ccnc(-c2nnn[n-]2)c1)CC(F)F ZINC001609114734 1164776252 /nfs/dbraw/zinc/77/62/52/1164776252.db2.gz TYFCONLEKVDILZ-SSDOTTSWSA-N -1 1 297.265 1.710 20 0 CDADMM C[C@@H](COC(=O)c1ccnc(-c2nn[n-]n2)c1)CC(F)F ZINC001609114734 1164776257 /nfs/dbraw/zinc/77/62/57/1164776257.db2.gz TYFCONLEKVDILZ-SSDOTTSWSA-N -1 1 297.265 1.710 20 0 CDADMM C[C@@H]1CC[C@H](CNC(=O)c2csc(-c3nn[n-]n3)c2)O1 ZINC001609160474 1164805322 /nfs/dbraw/zinc/80/53/22/1164805322.db2.gz FWFXODCKEYXHPR-VXNVDRBHSA-N -1 1 293.352 1.226 20 0 CDADMM C[C@H]1C[C@@H]1c1ccc(CNc2cncc(-c3nnn[n-]3)n2)o1 ZINC001609159349 1164807000 /nfs/dbraw/zinc/80/70/00/1164807000.db2.gz LNSUGOGZLCHUOA-WPRPVWTQSA-N -1 1 297.322 1.985 20 0 CDADMM C[C@H]1C[C@@H]1c1ccc(CNc2cncc(-c3nn[n-]n3)n2)o1 ZINC001609159349 1164807008 /nfs/dbraw/zinc/80/70/08/1164807008.db2.gz LNSUGOGZLCHUOA-WPRPVWTQSA-N -1 1 297.322 1.985 20 0 CDADMM C[C@H]1CC[C@@H](C(=O)OCc2cccnc2-c2nnn[n-]2)C1 ZINC001609161753 1164808594 /nfs/dbraw/zinc/80/85/94/1164808594.db2.gz YYCSPDIGBXVWTI-VHSXEESVSA-N -1 1 287.323 1.741 20 0 CDADMM C[C@H]1CC[C@@H](C(=O)OCc2cccnc2-c2nn[n-]n2)C1 ZINC001609161753 1164808601 /nfs/dbraw/zinc/80/86/01/1164808601.db2.gz YYCSPDIGBXVWTI-VHSXEESVSA-N -1 1 287.323 1.741 20 0 CDADMM CCSCCCNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609248685 1164864645 /nfs/dbraw/zinc/86/46/45/1164864645.db2.gz NWXCSORROGAFPA-UHFFFAOYSA-N -1 1 292.368 1.135 20 0 CDADMM CCSCCCNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609248685 1164864648 /nfs/dbraw/zinc/86/46/48/1164864648.db2.gz NWXCSORROGAFPA-UHFFFAOYSA-N -1 1 292.368 1.135 20 0 CDADMM CN(C[C@H]1CCCC[C@H]1O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609274090 1164878292 /nfs/dbraw/zinc/87/82/92/1164878292.db2.gz SAMZOIZCYAAPIF-ZWNOBZJWSA-N -1 1 288.355 1.249 20 0 CDADMM CN(C[C@H]1CCCC[C@H]1O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609274090 1164878304 /nfs/dbraw/zinc/87/83/04/1164878304.db2.gz SAMZOIZCYAAPIF-ZWNOBZJWSA-N -1 1 288.355 1.249 20 0 CDADMM Cc1cccc(CCNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001609431530 1164943654 /nfs/dbraw/zinc/94/36/54/1164943654.db2.gz NSBQBLCFZXCSLI-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1cccc(CCNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001609431530 1164943661 /nfs/dbraw/zinc/94/36/61/1164943661.db2.gz NSBQBLCFZXCSLI-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2CCCC2(C)C)n1 ZINC001609477239 1164967962 /nfs/dbraw/zinc/96/79/62/1164967962.db2.gz IAFMZCUNVYXYPR-SECBINFHSA-N -1 1 289.343 1.365 20 0 CDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CCCC2(C)C)n1 ZINC001609477239 1164967966 /nfs/dbraw/zinc/96/79/66/1164967966.db2.gz IAFMZCUNVYXYPR-SECBINFHSA-N -1 1 289.343 1.365 20 0 CDADMM FC(F)(F)C1=CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001609483425 1164970959 /nfs/dbraw/zinc/97/09/59/1164970959.db2.gz BSGZXFIYHDWTTQ-UHFFFAOYSA-N -1 1 297.244 1.356 20 0 CDADMM FC(F)(F)C1=CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001609483425 1164970964 /nfs/dbraw/zinc/97/09/64/1164970964.db2.gz BSGZXFIYHDWTTQ-UHFFFAOYSA-N -1 1 297.244 1.356 20 0 CDADMM c1ccc2ncc(Oc3cc(-c4nnn[n-]4)ncn3)cc2c1 ZINC001609618343 1165016088 /nfs/dbraw/zinc/01/60/88/1165016088.db2.gz BWIBJNSQRDGQFS-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1ccc2ncc(Oc3cc(-c4nn[n-]n4)ncn3)cc2c1 ZINC001609618343 1165016092 /nfs/dbraw/zinc/01/60/92/1165016092.db2.gz BWIBJNSQRDGQFS-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1cc(-c2nc(-c3cscn3)no2)oc1-c1nn[n-]n1 ZINC001609620912 1165016397 /nfs/dbraw/zinc/01/63/97/1165016397.db2.gz JCYHZTCNGQFNHD-UHFFFAOYSA-N -1 1 287.264 1.633 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CCC[C@@H]2C2CCC2)n1 ZINC001609620427 1165017394 /nfs/dbraw/zinc/01/73/94/1165017394.db2.gz UIOFRVMOFHGLTR-LLVKDONJSA-N -1 1 271.328 1.426 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CCC[C@@H]2C2CCC2)n1 ZINC001609620427 1165017397 /nfs/dbraw/zinc/01/73/97/1165017397.db2.gz UIOFRVMOFHGLTR-LLVKDONJSA-N -1 1 271.328 1.426 20 0 CDADMM Cc1c(C(=O)[O-])cc(CN2CCCOC[C@H]2C)n1C ZINC001610407919 1165310339 /nfs/dbraw/zinc/31/03/39/1165310339.db2.gz XOZSQNZHIZDBDC-SNVBAGLBSA-N -1 1 266.341 1.643 20 0 CDADMM CC(C)c1nc(CNc2cc(C(=O)[O-])ncn2)n[nH]1 ZINC000871595110 1165316508 /nfs/dbraw/zinc/31/65/08/1165316508.db2.gz KDIUHOBMXGCVOF-UHFFFAOYSA-N -1 1 262.273 1.028 20 0 CDADMM Cc1oc(CN2C[C@@H](C)N(C)C[C@@H]2C)cc1C(=O)[O-] ZINC001610582939 1165365058 /nfs/dbraw/zinc/36/50/58/1165365058.db2.gz LQVYOIXCTUBXOR-ZJUUUORDSA-N -1 1 266.341 1.811 20 0 CDADMM O=C([O-])c1ccoc1COC(=O)CCCCc1cn[nH]n1 ZINC001610655607 1165398204 /nfs/dbraw/zinc/39/82/04/1165398204.db2.gz JKPNPOHXCXBNHV-UHFFFAOYSA-N -1 1 293.279 1.552 20 0 CDADMM O=C([O-])c1ccc(C(=O)Nc2ccn(-c3ccncc3)n2)o1 ZINC001610823758 1165454426 /nfs/dbraw/zinc/45/44/26/1165454426.db2.gz KEHAQTKQGGRXBM-UHFFFAOYSA-N -1 1 298.258 1.811 20 0 CDADMM CN(C(=O)c1csc(-c2ccccc2)n1)c1nn[n-]n1 ZINC001617642796 1165603303 /nfs/dbraw/zinc/60/33/03/1165603303.db2.gz VWCACQLSTBCEMO-UHFFFAOYSA-N -1 1 286.320 1.600 20 0 CDADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000875633880 1165743815 /nfs/dbraw/zinc/74/38/15/1165743815.db2.gz UDDZEEDRFWOXBW-BSTOTGJRSA-N -1 1 288.351 1.340 20 0 CDADMM Cc1nc(C)c(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)[nH]1 ZINC001626557201 1165945365 /nfs/dbraw/zinc/94/53/65/1165945365.db2.gz CETNOOSLJABUGA-UHFFFAOYSA-N -1 1 299.290 1.622 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2ccn(Cc3ccncc3)n2)c1[O-] ZINC001627737797 1166014447 /nfs/dbraw/zinc/01/44/47/1166014447.db2.gz HSZOMMWKADYZEN-UHFFFAOYSA-N -1 1 298.306 1.316 20 0 CDADMM COc1cccnc1CNC(=O)c1ncccc1[O-] ZINC001630021769 1166180792 /nfs/dbraw/zinc/18/07/92/1166180792.db2.gz IPXXIUYRSCYUMZ-UHFFFAOYSA-N -1 1 259.265 1.121 20 0 CDADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1cc(F)c[nH]1 ZINC001630782164 1166232067 /nfs/dbraw/zinc/23/20/67/1166232067.db2.gz BBSLBNHDHIXDDX-NSHDSACASA-N -1 1 286.270 1.186 20 0 CDADMM O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc([O-])cn1 ZINC001632559645 1166357445 /nfs/dbraw/zinc/35/74/45/1166357445.db2.gz RVZDBZUJPRMHIE-UHFFFAOYSA-N -1 1 284.275 1.299 20 0 CDADMM COC(=O)c1cc(-c2nnc(-c3ccccc3)o2)[n-]n1 ZINC001253113899 1166365024 /nfs/dbraw/zinc/36/50/24/1166365024.db2.gz PBARCOPJBMAPAS-UHFFFAOYSA-N -1 1 270.248 1.913 20 0 CDADMM CCc1cc(CNC(=O)c2cccc([O-])c2F)[nH]n1 ZINC001633330926 1166416244 /nfs/dbraw/zinc/41/62/44/1166416244.db2.gz VMRZHPPWHNGFAN-UHFFFAOYSA-N -1 1 263.272 1.747 20 0 CDADMM CCC[C@@H](NC(=O)[C@H](C)n1cccc1)c1nn[n-]n1 ZINC001635182284 1166566994 /nfs/dbraw/zinc/56/69/94/1166566994.db2.gz HBLRMMBMZMOXRI-VHSXEESVSA-N -1 1 262.317 1.220 20 0 CDADMM c1coc(-c2ccc(SCc3nn[n-]n3)nn2)c1 ZINC000095235717 1166611696 /nfs/dbraw/zinc/61/16/96/1166611696.db2.gz UJGAMMBOUUUSAT-UHFFFAOYSA-N -1 1 260.282 1.542 20 0 CDADMM CCC(CC)(NC(=O)c1cccc(F)c1)c1nn[n-]n1 ZINC000095284785 1166618767 /nfs/dbraw/zinc/61/87/67/1166618767.db2.gz HWKSJLDQVIMVRS-UHFFFAOYSA-N -1 1 277.303 1.784 20 0 CDADMM Cc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC000095324475 1166620764 /nfs/dbraw/zinc/62/07/64/1166620764.db2.gz BMZCINGXHVCJBL-UHFFFAOYSA-N -1 1 254.253 1.757 20 0 CDADMM Cc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC000095324475 1166620768 /nfs/dbraw/zinc/62/07/68/1166620768.db2.gz BMZCINGXHVCJBL-UHFFFAOYSA-N -1 1 254.253 1.757 20 0 CDADMM Cn1cnc2ccc(NC(=O)CCCc3nn[n-]n3)cc21 ZINC001635781838 1166622845 /nfs/dbraw/zinc/62/28/45/1166622845.db2.gz XRJZELJIAKSPQU-UHFFFAOYSA-N -1 1 285.311 1.048 20 0 CDADMM COc1cccc2[nH]c(NC(=O)c3ccc([O-])cn3)nc21 ZINC001636995716 1166714205 /nfs/dbraw/zinc/71/42/05/1166714205.db2.gz PRNVLRDWUIZWNX-UHFFFAOYSA-N -1 1 284.275 1.924 20 0 CDADMM CC(C)N(CC(N)=O)C(=O)c1cc(Cl)ccc1[O-] ZINC000052076911 1166763996 /nfs/dbraw/zinc/76/39/96/1166763996.db2.gz IBRKFZZXZWISTC-UHFFFAOYSA-N -1 1 270.716 1.382 20 0 CDADMM C[C@@H]1C[C@@H](CNC(=O)c2ccc([O-])cn2)[C@@H](C)O1 ZINC001638208243 1166829602 /nfs/dbraw/zinc/82/96/02/1166829602.db2.gz QTCJVVXXKKQIRG-BBBLOLIVSA-N -1 1 250.298 1.331 20 0 CDADMM Cn1nc(NC(=O)c2ccc([O-])cn2)c2ccccc21 ZINC001640519633 1167032508 /nfs/dbraw/zinc/03/25/08/1167032508.db2.gz ZHQPPOJLQCKTMR-UHFFFAOYSA-N -1 1 268.276 1.926 20 0 CDADMM C[C@H]1C[C@@H](NC(=O)c2[n-][nH]c3cc(=O)ccc2-3)CCO1 ZINC001155273845 1167112229 /nfs/dbraw/zinc/11/22/29/1167112229.db2.gz ZDVMIMSIJLBPOX-IUCAKERBSA-N -1 1 275.308 1.566 20 0 CDADMM O=C(CCCc1nn[n-]n1)Nc1cccc2ocnc21 ZINC001642503899 1167178052 /nfs/dbraw/zinc/17/80/52/1167178052.db2.gz LOSWSZICNIXICT-UHFFFAOYSA-N -1 1 272.268 1.302 20 0 CDADMM C[C@@H](CC1CCCCC1)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC001645683526 1167465267 /nfs/dbraw/zinc/46/52/67/1167465267.db2.gz YPCDGQJGJDGRBJ-JTQLQIEISA-N -1 1 281.356 1.758 20 0 CDADMM O=C([O-])c1cc(CN2CC[C@H](c3cccnc3)C2)[nH]n1 ZINC001647411500 1168659968 /nfs/dbraw/zinc/65/99/68/1168659968.db2.gz RVXRGHKQRUSYHO-NSHDSACASA-N -1 1 272.308 1.492 20 0 CDADMM Cn1ncc(CN2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)n1 ZINC001650013598 1169607179 /nfs/dbraw/zinc/60/71/79/1169607179.db2.gz KOKQRFGBBOMJNT-KBPBESRZSA-N -1 1 286.335 1.115 20 0 CDADMM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)N(C)C)cc1 ZINC001650021366 1169619041 /nfs/dbraw/zinc/61/90/41/1169619041.db2.gz FLTFECAZWNJMLF-DGCLKSJQSA-N -1 1 278.352 1.577 20 0 CDADMM Cc1cc(CCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)n[nH]1 ZINC001574136236 1170894512 /nfs/dbraw/zinc/89/45/12/1170894512.db2.gz YIMTUKCHDCWMED-CQSZACIVSA-N -1 1 287.319 1.593 20 0 CDADMM O=C([O-])[C@@H]1[C@@H]2CCN(Cc3nc4ccccc4[nH]3)C[C@@H]21 ZINC001574405279 1170974100 /nfs/dbraw/zinc/97/41/00/1170974100.db2.gz CXPATTMWNLFEJW-ISTVAULSSA-N -1 1 271.320 1.715 20 0 CDADMM CN(CC1CC1)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001579065080 1172087730 /nfs/dbraw/zinc/08/77/30/1172087730.db2.gz LSKKBLRGUCCTFV-UHFFFAOYSA-N -1 1 292.730 1.397 20 0 CDADMM Cc1ccc(C(=O)Cn2ccc(-c3nn[n-]n3)cc2=O)cc1 ZINC001581137797 1172589263 /nfs/dbraw/zinc/58/92/63/1172589263.db2.gz HNTLUZWOIGTNMJ-UHFFFAOYSA-N -1 1 295.302 1.220 20 0 CDADMM Cc1nc(NCCc2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001581523750 1172613912 /nfs/dbraw/zinc/61/39/12/1172613912.db2.gz GKHHCGMQZGNKGL-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1nc(NCCc2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001581523750 1172613917 /nfs/dbraw/zinc/61/39/17/1172613917.db2.gz GKHHCGMQZGNKGL-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Clc1ccc(Cn2cc(-c3nn[n-]n3)nn2)c(Cl)c1 ZINC001581745764 1172619337 /nfs/dbraw/zinc/61/93/37/1172619337.db2.gz APQDTKRLLDAPTH-UHFFFAOYSA-N -1 1 296.121 1.813 20 0 CDADMM CN(C(=O)c1cc(F)cc2cccnc21)c1nn[n-]n1 ZINC001586262039 1172939276 /nfs/dbraw/zinc/93/92/76/1172939276.db2.gz CXVCLUSPRFMFEE-UHFFFAOYSA-N -1 1 272.243 1.164 20 0 CDADMM CC(=CC(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccccc1 ZINC001588768474 1173105157 /nfs/dbraw/zinc/10/51/57/1173105157.db2.gz NVJQGUYQFJSVMS-CLFYSBASSA-N -1 1 295.306 1.389 20 0 CDADMM CC(C)(C)C1=CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001589096729 1173124948 /nfs/dbraw/zinc/12/49/48/1173124948.db2.gz QKWCQIJNVDWFHG-UHFFFAOYSA-N -1 1 285.355 1.839 20 0 CDADMM CC(C)(C)C1=CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001589096729 1173124952 /nfs/dbraw/zinc/12/49/52/1173124952.db2.gz QKWCQIJNVDWFHG-UHFFFAOYSA-N -1 1 285.355 1.839 20 0 CDADMM CC(C)(C)C[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001589119120 1173127413 /nfs/dbraw/zinc/12/74/13/1173127413.db2.gz NBZIKLUDFBCOJN-SNVBAGLBSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)(C)C[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001589119120 1173127417 /nfs/dbraw/zinc/12/74/17/1173127417.db2.gz NBZIKLUDFBCOJN-SNVBAGLBSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)[C@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001589472874 1173146782 /nfs/dbraw/zinc/14/67/82/1173146782.db2.gz VNAROQKZNPHDAB-LBPRGKRZSA-N -1 1 286.339 1.426 20 0 CDADMM CC(C)[C@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001589472874 1173146785 /nfs/dbraw/zinc/14/67/85/1173146785.db2.gz VNAROQKZNPHDAB-LBPRGKRZSA-N -1 1 286.339 1.426 20 0 CDADMM CC(C)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001589509302 1173154735 /nfs/dbraw/zinc/15/47/35/1173154735.db2.gz ONUBTSSGJBVAFD-SNVBAGLBSA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001589509302 1173154740 /nfs/dbraw/zinc/15/47/40/1173154740.db2.gz ONUBTSSGJBVAFD-SNVBAGLBSA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)CO[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589638905 1173166461 /nfs/dbraw/zinc/16/64/61/1173166461.db2.gz GQHABTHAYCAXNI-VIFPVBQESA-N -1 1 290.327 1.261 20 0 CDADMM CC(C)CO[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589638905 1173166466 /nfs/dbraw/zinc/16/64/66/1173166466.db2.gz GQHABTHAYCAXNI-VIFPVBQESA-N -1 1 290.327 1.261 20 0 CDADMM CC(F)(F)CNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001589908979 1173200743 /nfs/dbraw/zinc/20/07/43/1173200743.db2.gz TZSRAXCULKQYIC-UHFFFAOYSA-N -1 1 273.268 1.313 20 0 CDADMM C[C@@H](Cc1ccno1)OC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589902516 1173198295 /nfs/dbraw/zinc/19/82/95/1173198295.db2.gz OYBHTXCEMRWJMK-ZETCQYMHSA-N -1 1 289.251 1.236 20 0 CDADMM C[C@@H](Cc1ccno1)OC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589902516 1173198300 /nfs/dbraw/zinc/19/83/00/1173198300.db2.gz OYBHTXCEMRWJMK-ZETCQYMHSA-N -1 1 289.251 1.236 20 0 CDADMM C[C@@H](Cc1cnn(C)c1)Nc1cccnc1-c1nnn[n-]1 ZINC001589904325 1173200579 /nfs/dbraw/zinc/20/05/79/1173200579.db2.gz MHQHYNGYYQLPQK-VIFPVBQESA-N -1 1 284.327 1.038 20 0 CDADMM C[C@@H](Cc1cnn(C)c1)Nc1cccnc1-c1nn[n-]n1 ZINC001589904325 1173200588 /nfs/dbraw/zinc/20/05/88/1173200588.db2.gz MHQHYNGYYQLPQK-VIFPVBQESA-N -1 1 284.327 1.038 20 0 CDADMM CC(F)(F)CNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001589908979 1173200739 /nfs/dbraw/zinc/20/07/39/1173200739.db2.gz TZSRAXCULKQYIC-UHFFFAOYSA-N -1 1 273.268 1.313 20 0 CDADMM CC(C)n1cc([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001589986685 1173221799 /nfs/dbraw/zinc/22/17/99/1173221799.db2.gz PNLQRJZHVPFKHX-VIFPVBQESA-N -1 1 299.342 1.029 20 0 CDADMM C[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)[C@H](O)c1ccccc1 ZINC001589979912 1173222087 /nfs/dbraw/zinc/22/20/87/1173222087.db2.gz CDPHYAGWTCBKBC-RNCFNFMXSA-N -1 1 297.322 1.191 20 0 CDADMM C[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)[C@H](O)c1ccccc1 ZINC001589979912 1173222091 /nfs/dbraw/zinc/22/20/91/1173222091.db2.gz CDPHYAGWTCBKBC-RNCFNFMXSA-N -1 1 297.322 1.191 20 0 CDADMM CC1(C)C[C@@H](Sc2ccc(-c3nnn[n-]3)nn2)CO1 ZINC001590086292 1173251877 /nfs/dbraw/zinc/25/18/77/1173251877.db2.gz ZHFNMEMMTIXYFQ-SSDOTTSWSA-N -1 1 278.341 1.316 20 0 CDADMM CC1(C)C[C@@H](Sc2ccc(-c3nn[n-]n3)nn2)CO1 ZINC001590086292 1173251879 /nfs/dbraw/zinc/25/18/79/1173251879.db2.gz ZHFNMEMMTIXYFQ-SSDOTTSWSA-N -1 1 278.341 1.316 20 0 CDADMM CC1(C)CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001590089922 1173254558 /nfs/dbraw/zinc/25/45/58/1173254558.db2.gz BGCVNRUCWDOOCC-MRVPVSSYSA-N -1 1 259.317 1.647 20 0 CDADMM CC1(C)CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001590089922 1173254563 /nfs/dbraw/zinc/25/45/63/1173254563.db2.gz BGCVNRUCWDOOCC-MRVPVSSYSA-N -1 1 259.317 1.647 20 0 CDADMM CC1(C)CCN(c2cccc(-c3nnn[n-]3)n2)CCS1 ZINC001590099891 1173257059 /nfs/dbraw/zinc/25/70/59/1173257059.db2.gz KVGNLRIDWRSKDI-UHFFFAOYSA-N -1 1 290.396 1.984 20 0 CDADMM CC1(C)CCN(c2cccc(-c3nn[n-]n3)n2)CCS1 ZINC001590099891 1173257064 /nfs/dbraw/zinc/25/70/64/1173257064.db2.gz KVGNLRIDWRSKDI-UHFFFAOYSA-N -1 1 290.396 1.984 20 0 CDADMM CC1(CC(=O)Nc2c[nH]nc2-c2nn[n-]n2)CCCC1 ZINC001590123761 1173265526 /nfs/dbraw/zinc/26/55/26/1173265526.db2.gz YHBOPJHKSFZBDD-UHFFFAOYSA-N -1 1 275.316 1.499 20 0 CDADMM C[C@]1(CNc2ccnc(-c3nnn[n-]3)c2)C[C@H]2C[C@H]2C1 ZINC001590136686 1173269948 /nfs/dbraw/zinc/26/99/48/1173269948.db2.gz XHXAYZLCAODRED-MSRIBSCDSA-N -1 1 270.340 1.532 20 0 CDADMM C[C@]1(CNc2ccnc(-c3nn[n-]n3)c2)C[C@H]2C[C@H]2C1 ZINC001590136686 1173269960 /nfs/dbraw/zinc/26/99/60/1173269960.db2.gz XHXAYZLCAODRED-MSRIBSCDSA-N -1 1 270.340 1.532 20 0 CDADMM C[C@]1(c2ccccc2)C[C@@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590152029 1173272316 /nfs/dbraw/zinc/27/23/16/1173272316.db2.gz QFIOGHIWXULSOJ-GOEBONIOSA-N -1 1 292.346 1.826 20 0 CDADMM C[C@]1(c2ccccc2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590152029 1173272318 /nfs/dbraw/zinc/27/23/18/1173272318.db2.gz QFIOGHIWXULSOJ-GOEBONIOSA-N -1 1 292.346 1.826 20 0 CDADMM CC1=C[C@H](C)C[C@@H](CNc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001590156699 1173274219 /nfs/dbraw/zinc/27/42/19/1173274219.db2.gz HTJUUMYPURPGKO-WCBMZHEXSA-N -1 1 273.344 1.994 20 0 CDADMM CC1=C[C@H](C)C[C@@H](CNc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001590156699 1173274225 /nfs/dbraw/zinc/27/42/25/1173274225.db2.gz HTJUUMYPURPGKO-WCBMZHEXSA-N -1 1 273.344 1.994 20 0 CDADMM CC1=CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001590159063 1173276706 /nfs/dbraw/zinc/27/67/06/1173276706.db2.gz BXCGIVGAUDCRPX-UHFFFAOYSA-N -1 1 285.311 1.446 20 0 CDADMM CC1=CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001590159063 1173276710 /nfs/dbraw/zinc/27/67/10/1173276710.db2.gz BXCGIVGAUDCRPX-UHFFFAOYSA-N -1 1 285.311 1.446 20 0 CDADMM C[C@H]1C[C@@H]1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590216785 1173294474 /nfs/dbraw/zinc/29/44/74/1173294474.db2.gz YVAPPNAWGOUMBG-XPUUQOCRSA-N -1 1 293.277 1.417 20 0 CDADMM C[C@H]1C[C@@H]1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590216785 1173294476 /nfs/dbraw/zinc/29/44/76/1173294476.db2.gz YVAPPNAWGOUMBG-XPUUQOCRSA-N -1 1 293.277 1.417 20 0 CDADMM C[C@@H]1C[C@H]1C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001590219626 1173297604 /nfs/dbraw/zinc/29/76/04/1173297604.db2.gz OGRULORQCXKONP-HTRCEHHLSA-N -1 1 264.310 1.627 20 0 CDADMM C[C@H]1C[C@H]1C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001590219628 1173297641 /nfs/dbraw/zinc/29/76/41/1173297641.db2.gz OGRULORQCXKONP-POYBYMJQSA-N -1 1 264.310 1.627 20 0 CDADMM C[C@H]1CC=C(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590217757 1173299229 /nfs/dbraw/zinc/29/92/29/1173299229.db2.gz DZXGOUQZXLWIHK-JTQLQIEISA-N -1 1 298.350 1.624 20 0 CDADMM C[C@H]1CC=C(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590217757 1173299235 /nfs/dbraw/zinc/29/92/35/1173299235.db2.gz DZXGOUQZXLWIHK-JTQLQIEISA-N -1 1 298.350 1.624 20 0 CDADMM C[C@@H]1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001590231901 1173308688 /nfs/dbraw/zinc/30/86/88/1173308688.db2.gz UIIFKFYJNCFDSX-RKDXNWHRSA-N -1 1 275.312 1.626 20 0 CDADMM C[C@@H]1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590231901 1173308696 /nfs/dbraw/zinc/30/86/96/1173308696.db2.gz UIIFKFYJNCFDSX-RKDXNWHRSA-N -1 1 275.312 1.626 20 0 CDADMM C[C@@H]1CCC[C@@H](CNc2ncncc2-c2nn[n-]n2)C1 ZINC001590240538 1173313191 /nfs/dbraw/zinc/31/31/91/1173313191.db2.gz FAXOYNLITFNFJC-NXEZZACHSA-N -1 1 273.344 1.895 20 0 CDADMM C[C@H]1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001590245669 1173318702 /nfs/dbraw/zinc/31/87/02/1173318702.db2.gz YKLOSFZWUTUMDJ-IUCAKERBSA-N -1 1 275.312 1.768 20 0 CDADMM C[C@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590245669 1173318709 /nfs/dbraw/zinc/31/87/09/1173318709.db2.gz YKLOSFZWUTUMDJ-IUCAKERBSA-N -1 1 275.312 1.768 20 0 CDADMM C[C@@H]1CCCC[C@@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001590256144 1173323799 /nfs/dbraw/zinc/32/37/99/1173323799.db2.gz ZRPXQMXISWSIMJ-BDAKNGLRSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@@H]1CCCC[C@@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001590256144 1173323803 /nfs/dbraw/zinc/32/38/03/1173323803.db2.gz ZRPXQMXISWSIMJ-BDAKNGLRSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)[C@@H]1C ZINC001590276101 1173336778 /nfs/dbraw/zinc/33/67/78/1173336778.db2.gz JDLSDAKTEVKGFY-RKDXNWHRSA-N -1 1 285.355 1.769 20 0 CDADMM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)[C@@H]1C ZINC001590276101 1173336786 /nfs/dbraw/zinc/33/67/86/1173336786.db2.gz JDLSDAKTEVKGFY-RKDXNWHRSA-N -1 1 285.355 1.769 20 0 CDADMM C[C@H]1OCC[C@H]1COc1cccc(F)c1-c1nnn[n-]1 ZINC001590340359 1173368031 /nfs/dbraw/zinc/36/80/31/1173368031.db2.gz YYJMIGVGSWCUFL-BDAKNGLRSA-N -1 1 278.287 1.810 20 0 CDADMM C[C@H]1OCC[C@H]1COc1cccc(F)c1-c1nn[n-]n1 ZINC001590340359 1173368042 /nfs/dbraw/zinc/36/80/42/1173368042.db2.gz YYJMIGVGSWCUFL-BDAKNGLRSA-N -1 1 278.287 1.810 20 0 CDADMM C/C=C\C[C@@H](CO)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590351398 1173368787 /nfs/dbraw/zinc/36/87/87/1173368787.db2.gz DWYKOBRKGSUJCL-XADBCAIWSA-N -1 1 260.301 1.001 20 0 CDADMM C/C=C\C[C@@H](CO)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590351398 1173368790 /nfs/dbraw/zinc/36/87/90/1173368790.db2.gz DWYKOBRKGSUJCL-XADBCAIWSA-N -1 1 260.301 1.001 20 0 CDADMM CC[C@@H](C)N(C)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001590408237 1173397383 /nfs/dbraw/zinc/39/73/83/1173397383.db2.gz FEXFELQIRMYDFO-ZCFIWIBFSA-N -1 1 295.372 1.894 20 0 CDADMM CC[C@@H](C)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590413791 1173400230 /nfs/dbraw/zinc/40/02/30/1173400230.db2.gz BSYAZPGBJXCBJD-SSDOTTSWSA-N -1 1 261.289 1.182 20 0 CDADMM CC[C@@H](C)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590413791 1173400235 /nfs/dbraw/zinc/40/02/35/1173400235.db2.gz BSYAZPGBJXCBJD-SSDOTTSWSA-N -1 1 261.289 1.182 20 0 CDADMM CC[C@H](CCOC)OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590439607 1173412109 /nfs/dbraw/zinc/41/21/09/1173412109.db2.gz QXQSOBHJHLSICR-MRVPVSSYSA-N -1 1 280.284 1.432 20 0 CDADMM CC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1CCCOC1 ZINC001590473871 1173424963 /nfs/dbraw/zinc/42/49/63/1173424963.db2.gz TVJSJVPYLPHWNK-GHMZBOCLSA-N -1 1 288.355 1.879 20 0 CDADMM CC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1CCCOC1 ZINC001590473871 1173424965 /nfs/dbraw/zinc/42/49/65/1173424965.db2.gz TVJSJVPYLPHWNK-GHMZBOCLSA-N -1 1 288.355 1.879 20 0 CDADMM CC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC001590472509 1173425697 /nfs/dbraw/zinc/42/56/97/1173425697.db2.gz FASSXVMRXVQKHM-PSASIEDQSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001590472509 1173425702 /nfs/dbraw/zinc/42/57/02/1173425702.db2.gz FASSXVMRXVQKHM-PSASIEDQSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@@H]1C[C@@H](NC(=O)c2coc(-c3nnn[n-]3)c2)CCO1 ZINC001590504342 1173440745 /nfs/dbraw/zinc/44/07/45/1173440745.db2.gz GHZFUNHDVRQWKW-VHSXEESVSA-N -1 1 291.311 1.147 20 0 CDADMM CC[C@@H]1C[C@@H](NC(=O)c2coc(-c3nn[n-]n3)c2)CCO1 ZINC001590504342 1173440752 /nfs/dbraw/zinc/44/07/52/1173440752.db2.gz GHZFUNHDVRQWKW-VHSXEESVSA-N -1 1 291.311 1.147 20 0 CDADMM CCCC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC001590531567 1173454621 /nfs/dbraw/zinc/45/46/21/1173454621.db2.gz NSQYUEXNFLBTGV-UHFFFAOYSA-N -1 1 297.318 1.551 20 0 CDADMM CC/C=C\CNC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001590532269 1173454874 /nfs/dbraw/zinc/45/48/74/1173454874.db2.gz RXEDWXAFQOSVHH-PLNGDYQASA-N -1 1 293.356 1.719 20 0 CDADMM CC/C=C\CNC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590532269 1173454876 /nfs/dbraw/zinc/45/48/76/1173454876.db2.gz RXEDWXAFQOSVHH-PLNGDYQASA-N -1 1 293.356 1.719 20 0 CDADMM CCC[C@@](C)(CC)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590542861 1173456236 /nfs/dbraw/zinc/45/62/36/1173456236.db2.gz LVKXXARYPNBZKD-GFCCVEGCSA-N -1 1 277.332 1.745 20 0 CDADMM CCC[C@@](C)(CC)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590542861 1173456237 /nfs/dbraw/zinc/45/62/37/1173456237.db2.gz LVKXXARYPNBZKD-GFCCVEGCSA-N -1 1 277.332 1.745 20 0 CDADMM CCN(CC)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001590688355 1173492834 /nfs/dbraw/zinc/49/28/34/1173492834.db2.gz FGMPBVMKPSJLMD-UHFFFAOYSA-N -1 1 299.331 1.036 20 0 CDADMM CCN(Cc1cccs1)c1ccnc(-c2nn[n-]n2)n1 ZINC001590722218 1173497776 /nfs/dbraw/zinc/49/77/76/1173497776.db2.gz SXAKJJUSHKBHNM-UHFFFAOYSA-N -1 1 287.352 1.745 20 0 CDADMM CCc1cc(NC(=O)Nc2cccc(-c3nnn[n-]3)n2)n[nH]1 ZINC001590883927 1173535449 /nfs/dbraw/zinc/53/54/49/1173535449.db2.gz UFAXNWHVDGTJKP-UHFFFAOYSA-N -1 1 299.298 1.191 20 0 CDADMM CCc1cc(NC(=O)Nc2cccc(-c3nn[n-]n3)n2)n[nH]1 ZINC001590883927 1173535452 /nfs/dbraw/zinc/53/54/52/1173535452.db2.gz UFAXNWHVDGTJKP-UHFFFAOYSA-N -1 1 299.298 1.191 20 0 CDADMM CCc1nc(NC[C@@]2(C)CCCO2)cc(-c2nnn[n-]2)n1 ZINC001590918055 1173543695 /nfs/dbraw/zinc/54/36/95/1173543695.db2.gz NNJFVEGIGTZVRP-CYBMUJFWSA-N -1 1 289.343 1.200 20 0 CDADMM CCc1nsc(Oc2cccnc2-c2nnn[n-]2)n1 ZINC001590936553 1173547065 /nfs/dbraw/zinc/54/70/65/1173547065.db2.gz CEOLCTMSTKIKEO-UHFFFAOYSA-N -1 1 275.297 1.468 20 0 CDADMM CCc1nsc(Oc2cccnc2-c2nn[n-]n2)n1 ZINC001590936553 1173547071 /nfs/dbraw/zinc/54/70/71/1173547071.db2.gz CEOLCTMSTKIKEO-UHFFFAOYSA-N -1 1 275.297 1.468 20 0 CDADMM COC(=O)/C(C)=C\CNc1nc(-c2nn[n-]n2)ccc1C ZINC001591229780 1173594946 /nfs/dbraw/zinc/59/49/46/1173594946.db2.gz VVHGVHVCCUWOEP-TWGQIWQCSA-N -1 1 288.311 1.101 20 0 CDADMM COC(=O)c1ccc(NCC=CCl)c(-c2nnn[n-]2)n1 ZINC001591296968 1173598502 /nfs/dbraw/zinc/59/85/02/1173598502.db2.gz ZPDPUECWBMSEBD-GORDUTHDSA-N -1 1 294.702 1.213 20 0 CDADMM COC(=O)c1ccc(NCC=CCl)c(-c2nn[n-]n2)n1 ZINC001591296968 1173598504 /nfs/dbraw/zinc/59/85/04/1173598504.db2.gz ZPDPUECWBMSEBD-GORDUTHDSA-N -1 1 294.702 1.213 20 0 CDADMM COC(=O)c1ccc(NC[C@@H]2C[C@H]2C)c(-c2nnn[n-]2)n1 ZINC001591295594 1173598549 /nfs/dbraw/zinc/59/85/49/1173598549.db2.gz LBOUOVXZOBNLKW-SFYZADRCSA-N -1 1 288.311 1.116 20 0 CDADMM COC(=O)c1ccc(NC[C@@H]2C[C@H]2C)c(-c2nn[n-]n2)n1 ZINC001591295594 1173598553 /nfs/dbraw/zinc/59/85/53/1173598553.db2.gz LBOUOVXZOBNLKW-SFYZADRCSA-N -1 1 288.311 1.116 20 0 CDADMM COC1([C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)CCC1 ZINC001591339476 1173618458 /nfs/dbraw/zinc/61/84/58/1173618458.db2.gz YYKRUXWRTSUWDB-SECBINFHSA-N -1 1 274.328 1.631 20 0 CDADMM COC1([C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)CCC1 ZINC001591339476 1173618467 /nfs/dbraw/zinc/61/84/67/1173618467.db2.gz YYKRUXWRTSUWDB-SECBINFHSA-N -1 1 274.328 1.631 20 0 CDADMM COC[C@@H](NC(=O)c1ccsc1-c1nnn[n-]1)C(C)C ZINC001591381912 1173640042 /nfs/dbraw/zinc/64/00/42/1173640042.db2.gz OGXMNLPYNIJXFL-SECBINFHSA-N -1 1 295.368 1.329 20 0 CDADMM COC[C@@H](NC(=O)c1ccsc1-c1nn[n-]n1)C(C)C ZINC001591381912 1173640046 /nfs/dbraw/zinc/64/00/46/1173640046.db2.gz OGXMNLPYNIJXFL-SECBINFHSA-N -1 1 295.368 1.329 20 0 CDADMM COCC[C@H](COC)Nc1nc(-c2nn[n-]n2)ccc1C ZINC001591399106 1173647506 /nfs/dbraw/zinc/64/75/06/1173647506.db2.gz ONPQMMBJHKGYGF-SNVBAGLBSA-N -1 1 292.343 1.034 20 0 CDADMM CO[C@H]1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001591473561 1173658570 /nfs/dbraw/zinc/65/85/70/1173658570.db2.gz IZRGEHNBNPXERQ-LJGSYFOKSA-N -1 1 266.330 1.221 20 0 CDADMM C[C@@H](Nc1ncncc1-c1nn[n-]n1)c1cccc(O)c1 ZINC001591731725 1173692747 /nfs/dbraw/zinc/69/27/47/1173692747.db2.gz LQHDQKLBPQYOCM-MRVPVSSYSA-N -1 1 283.295 1.535 20 0 CDADMM C[C@@]12CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC001591760247 1173696503 /nfs/dbraw/zinc/69/65/03/1173696503.db2.gz JTZFAGATVNYLKI-LMCGPQHNSA-N -1 1 295.350 1.305 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(C)(C3CC3)CC2)n1 ZINC001591885696 1173738110 /nfs/dbraw/zinc/73/81/10/1173738110.db2.gz VEKMZCAWFNEXDF-UHFFFAOYSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(C)(C3CC3)CC2)n1 ZINC001591885696 1173738115 /nfs/dbraw/zinc/73/81/15/1173738115.db2.gz VEKMZCAWFNEXDF-UHFFFAOYSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)co1 ZINC001591929746 1173747853 /nfs/dbraw/zinc/74/78/53/1173747853.db2.gz PEMBQGSSHIKUJC-UHFFFAOYSA-N -1 1 289.320 1.760 20 0 CDADMM Cc1cc(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)no1 ZINC001591969470 1173760291 /nfs/dbraw/zinc/76/02/91/1173760291.db2.gz AGAOUWDWAHCWDA-UHFFFAOYSA-N -1 1 298.310 1.443 20 0 CDADMM Cc1cc(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)no1 ZINC001591969470 1173760297 /nfs/dbraw/zinc/76/02/97/1173760297.db2.gz AGAOUWDWAHCWDA-UHFFFAOYSA-N -1 1 298.310 1.443 20 0 CDADMM Cc1cc(NCCc2ncccc2C)nc(-c2nnn[n-]2)c1 ZINC001592051294 1173786517 /nfs/dbraw/zinc/78/65/17/1173786517.db2.gz OBVZHRQURVHLAN-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1cc(NCCc2ncccc2C)nc(-c2nn[n-]n2)c1 ZINC001592051294 1173786521 /nfs/dbraw/zinc/78/65/21/1173786521.db2.gz OBVZHRQURVHLAN-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@H]1CCOC[C@@H]1C ZINC001592113722 1173806259 /nfs/dbraw/zinc/80/62/59/1173806259.db2.gz IREKMSKBHKMFSC-UWVGGRQHSA-N -1 1 274.328 1.407 20 0 CDADMM Cc1ccc(N2C[C@@H](C)[C@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001592176298 1173822622 /nfs/dbraw/zinc/82/26/22/1173822622.db2.gz ZGMOZUPRMLUKAQ-RKDXNWHRSA-N -1 1 258.329 1.662 20 0 CDADMM Cc1ccc(N2C[C@@H](C)[C@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001592176298 1173822626 /nfs/dbraw/zinc/82/26/26/1173822626.db2.gz ZGMOZUPRMLUKAQ-RKDXNWHRSA-N -1 1 258.329 1.662 20 0 CDADMM Cc1ccc(NC[C@@H]2CCO[C@H](C)C2)nc1-c1nnn[n-]1 ZINC001592183574 1173829011 /nfs/dbraw/zinc/82/90/11/1173829011.db2.gz UPJGENFGVJXUFS-GHMZBOCLSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(NC[C@@H]2CCO[C@H](C)C2)nc1-c1nn[n-]n1 ZINC001592183574 1173829014 /nfs/dbraw/zinc/82/90/14/1173829014.db2.gz UPJGENFGVJXUFS-GHMZBOCLSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccccc1[C@H](O)CNc1cccnc1-c1nnn[n-]1 ZINC001592251062 1173835774 /nfs/dbraw/zinc/83/57/74/1173835774.db2.gz BALAFTRLSPBHMV-CYBMUJFWSA-N -1 1 296.334 1.716 20 0 CDADMM Cc1ccccc1[C@H](O)CNc1cccnc1-c1nn[n-]n1 ZINC001592251062 1173835777 /nfs/dbraw/zinc/83/57/77/1173835777.db2.gz BALAFTRLSPBHMV-CYBMUJFWSA-N -1 1 296.334 1.716 20 0 CDADMM Cc1ccccc1N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001592259174 1173838948 /nfs/dbraw/zinc/83/89/48/1173838948.db2.gz SFXYHZGZQGTQNO-UHFFFAOYSA-N -1 1 294.318 1.847 20 0 CDADMM Cc1ccccc1N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001592259174 1173838950 /nfs/dbraw/zinc/83/89/50/1173838950.db2.gz SFXYHZGZQGTQNO-UHFFFAOYSA-N -1 1 294.318 1.847 20 0 CDADMM Cc1ccnc(-c2noc(-c3coc(-c4nnn[n-]4)c3)n2)c1 ZINC001592270743 1173839484 /nfs/dbraw/zinc/83/94/84/1173839484.db2.gz JFBCKVLVAJXOCR-UHFFFAOYSA-N -1 1 295.262 1.880 20 0 CDADMM Cc1ccnc(-c2noc(-c3coc(-c4nn[n-]n4)c3)n2)c1 ZINC001592270743 1173839488 /nfs/dbraw/zinc/83/94/88/1173839488.db2.gz JFBCKVLVAJXOCR-UHFFFAOYSA-N -1 1 295.262 1.880 20 0 CDADMM Cc1cnc([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)o2)o1 ZINC001592292372 1173848934 /nfs/dbraw/zinc/84/89/34/1173848934.db2.gz GIAJFKZHFHKHIZ-ZETCQYMHSA-N -1 1 289.251 1.674 20 0 CDADMM Cc1cnc2c(c1)N(C(=O)c1ccc(-c3nn[n-]n3)o1)CC2 ZINC001592294987 1173849951 /nfs/dbraw/zinc/84/99/51/1173849951.db2.gz QDLHCQDFKRKWPN-UHFFFAOYSA-N -1 1 296.290 1.366 20 0 CDADMM Cc1[nH]nc(NC(=O)C=Cc2ccccc2)c1-c1nn[n-]n1 ZINC001592328819 1173855949 /nfs/dbraw/zinc/85/59/49/1173855949.db2.gz XZMJJLXYGWWXMF-FPLPWBNLSA-N -1 1 295.306 1.550 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@@H](C)c2cccnc2)c1-c1nn[n-]n1 ZINC001592328523 1173856228 /nfs/dbraw/zinc/85/62/28/1173856228.db2.gz WDFHWTRWDJZIIX-ZETCQYMHSA-N -1 1 298.310 1.035 20 0 CDADMM Cc1[nH]nc(NC(=O)C=C2CCCCC2)c1-c1nn[n-]n1 ZINC001592328815 1173856670 /nfs/dbraw/zinc/85/66/70/1173856670.db2.gz XXEDRFDXQBGZEX-UHFFFAOYSA-N -1 1 287.327 1.727 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3[C@H](C2)C3(C)C)n1 ZINC001592337127 1173859499 /nfs/dbraw/zinc/85/94/99/1173859499.db2.gz BZIKUZLGPROMEB-DTORHVGOSA-N -1 1 271.328 1.057 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3[C@H](C2)C3(C)C)n1 ZINC001592337127 1173859502 /nfs/dbraw/zinc/85/95/02/1173859502.db2.gz BZIKUZLGPROMEB-DTORHVGOSA-N -1 1 271.328 1.057 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(CC(=O)OC(C)(C)C)c1C ZINC001592340108 1173862182 /nfs/dbraw/zinc/86/21/82/1173862182.db2.gz VDKQMIWZBHTXQE-UHFFFAOYSA-N -1 1 278.316 1.022 20 0 CDADMM Cc1nc(NC2CCC(F)(F)CC2)cc(-c2nnn[n-]2)n1 ZINC001592382895 1173875653 /nfs/dbraw/zinc/87/56/53/1173875653.db2.gz WTJQPZMWKTWROQ-UHFFFAOYSA-N -1 1 295.297 1.955 20 0 CDADMM Cc1nc(NC2CCC(F)(F)CC2)cc(-c2nn[n-]n2)n1 ZINC001592382895 1173875658 /nfs/dbraw/zinc/87/56/58/1173875658.db2.gz WTJQPZMWKTWROQ-UHFFFAOYSA-N -1 1 295.297 1.955 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@H](C)CC(F)F ZINC001592502577 1173908451 /nfs/dbraw/zinc/90/84/51/1173908451.db2.gz MWEHZRORRLAUTN-LURJTMIESA-N -1 1 299.281 1.789 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@H](C)CC(F)F ZINC001592502577 1173908455 /nfs/dbraw/zinc/90/84/55/1173908455.db2.gz MWEHZRORRLAUTN-LURJTMIESA-N -1 1 299.281 1.789 20 0 CDADMM Clc1ccc(/C=C/Cn2cc(-c3nn[n-]n3)nn2)cc1 ZINC001592527775 1173912425 /nfs/dbraw/zinc/91/24/25/1173912425.db2.gz KCJMGHTTYXBKNN-OWOJBTEDSA-N -1 1 287.714 1.825 20 0 CDADMM FC1(F)[C@H]2CN(Cc3nc(-c4nnn[n-]4)cs3)C[C@H]21 ZINC001592627616 1173936266 /nfs/dbraw/zinc/93/62/66/1173936266.db2.gz LAMNSYZJDUSLLK-OLQVQODUSA-N -1 1 284.295 1.020 20 0 CDADMM FC1(F)[C@H]2CN(Cc3nc(-c4nn[n-]n4)cs3)C[C@H]21 ZINC001592627616 1173936274 /nfs/dbraw/zinc/93/62/74/1173936274.db2.gz LAMNSYZJDUSLLK-OLQVQODUSA-N -1 1 284.295 1.020 20 0 CDADMM Fc1cccc(OCCOC2CC2)c1-c1nnn[n-]1 ZINC001592658131 1173957425 /nfs/dbraw/zinc/95/74/25/1173957425.db2.gz KIYMLOWDUFQKSC-UHFFFAOYSA-N -1 1 264.260 1.564 20 0 CDADMM Fc1cccc(OCCOC2CC2)c1-c1nn[n-]n1 ZINC001592658131 1173957430 /nfs/dbraw/zinc/95/74/30/1173957430.db2.gz KIYMLOWDUFQKSC-UHFFFAOYSA-N -1 1 264.260 1.564 20 0 CDADMM O=C(CCC1CC1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592828997 1173995495 /nfs/dbraw/zinc/99/54/95/1173995495.db2.gz XUDSXOZXYXAQRK-UHFFFAOYSA-N -1 1 272.312 1.068 20 0 CDADMM O=C(CCC1CC1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592828997 1173995497 /nfs/dbraw/zinc/99/54/97/1173995497.db2.gz XUDSXOZXYXAQRK-UHFFFAOYSA-N -1 1 272.312 1.068 20 0 CDADMM O=C(NCCCC(F)F)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593066345 1174021065 /nfs/dbraw/zinc/02/10/65/1174021065.db2.gz ARTCJTRZDNQBJF-UHFFFAOYSA-N -1 1 297.269 1.429 20 0 CDADMM O=C(NCCCC(F)F)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593066345 1174021072 /nfs/dbraw/zinc/02/10/72/1174021072.db2.gz ARTCJTRZDNQBJF-UHFFFAOYSA-N -1 1 297.269 1.429 20 0 CDADMM O=C(NCC[C@@H]1C[C@H]1C1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593100694 1174022325 /nfs/dbraw/zinc/02/23/25/1174022325.db2.gz XKGRLHORMZJPKW-MNOVXSKESA-N -1 1 298.350 1.428 20 0 CDADMM O=C(NCC[C@@H]1C[C@H]1C1CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593100694 1174022332 /nfs/dbraw/zinc/02/23/32/1174022332.db2.gz XKGRLHORMZJPKW-MNOVXSKESA-N -1 1 298.350 1.428 20 0 CDADMM O=C(Nc1cnoc1)c1csc(-c2nn[n-]n2)c1 ZINC001593262363 1174042061 /nfs/dbraw/zinc/04/20/61/1174042061.db2.gz GXXSWXSCRMKXDM-UHFFFAOYSA-N -1 1 262.254 1.169 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cc2c(o1)CCCC2 ZINC001593259958 1174042352 /nfs/dbraw/zinc/04/23/52/1174042352.db2.gz FPXRPKQPFGDEKY-UHFFFAOYSA-N -1 1 299.294 1.314 20 0 CDADMM O=C(OC1CCSCC1)c1sccc1-c1nn[n-]n1 ZINC001593280480 1174049595 /nfs/dbraw/zinc/04/95/95/1174049595.db2.gz JHZBSJMEPUYMCB-UHFFFAOYSA-N -1 1 296.377 1.981 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)C1(CCF)CC1 ZINC001593301493 1174059301 /nfs/dbraw/zinc/05/93/01/1174059301.db2.gz JUIVTPUWNBVNNA-UHFFFAOYSA-N -1 1 291.286 1.445 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)C1(CCF)CC1 ZINC001593301493 1174059310 /nfs/dbraw/zinc/05/93/10/1174059310.db2.gz JUIVTPUWNBVNNA-UHFFFAOYSA-N -1 1 291.286 1.445 20 0 CDADMM O=C(OCc1nccs1)c1ccc(-c2nn[n-]n2)o1 ZINC001593305890 1174060627 /nfs/dbraw/zinc/06/06/27/1174060627.db2.gz CEXFAPMSBBRFNV-UHFFFAOYSA-N -1 1 277.265 1.273 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1Cc2ccccc2CO1 ZINC001593338878 1174068484 /nfs/dbraw/zinc/06/84/84/1174068484.db2.gz IYLWPYXOKWSRTP-UHFFFAOYSA-N -1 1 297.274 1.547 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1ccccc1CF ZINC001593496855 1174089206 /nfs/dbraw/zinc/08/92/06/1174089206.db2.gz ZXRVIBZMAZDOJS-UHFFFAOYSA-N -1 1 285.282 1.546 20 0 CDADMM OCCNc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001593532692 1174107610 /nfs/dbraw/zinc/10/76/10/1174107610.db2.gz GMOLWJHZFVZSCT-UHFFFAOYSA-N -1 1 298.306 1.458 20 0 CDADMM OCCNc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001593532692 1174107618 /nfs/dbraw/zinc/10/76/18/1174107618.db2.gz GMOLWJHZFVZSCT-UHFFFAOYSA-N -1 1 298.306 1.458 20 0 CDADMM c1c(CNc2cccc(-c3nnn[n-]3)n2)nnn1C1CCC1 ZINC001593561316 1174135792 /nfs/dbraw/zinc/13/57/92/1174135792.db2.gz ODLNPQBJCNUGPL-UHFFFAOYSA-N -1 1 297.326 1.190 20 0 CDADMM c1c(CNc2cccc(-c3nn[n-]n3)n2)nnn1C1CCC1 ZINC001593561316 1174135794 /nfs/dbraw/zinc/13/57/94/1174135794.db2.gz ODLNPQBJCNUGPL-UHFFFAOYSA-N -1 1 297.326 1.190 20 0 CDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NC1CSC1 ZINC001593580533 1174148079 /nfs/dbraw/zinc/14/80/79/1174148079.db2.gz QURQOZGUAZCAED-UHFFFAOYSA-N -1 1 285.336 1.337 20 0 CDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NC1CSC1 ZINC001593580533 1174148085 /nfs/dbraw/zinc/14/80/85/1174148085.db2.gz QURQOZGUAZCAED-UHFFFAOYSA-N -1 1 285.336 1.337 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(Oc2cc(C3CC3)ncn2)c1 ZINC001593584302 1174153189 /nfs/dbraw/zinc/15/31/89/1174153189.db2.gz KXZVOUPAHGCOMQ-UHFFFAOYSA-N -1 1 281.279 1.721 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(Oc2cc(C3CC3)ncn2)c1 ZINC001593584302 1174153192 /nfs/dbraw/zinc/15/31/92/1174153192.db2.gz KXZVOUPAHGCOMQ-UHFFFAOYSA-N -1 1 281.279 1.721 20 0 CDADMM c1cncc(Oc2cc(-c3nnn[n-]3)nc(C3CC3)n2)c1 ZINC001593587711 1174155675 /nfs/dbraw/zinc/15/56/75/1174155675.db2.gz NFCGLDLLJYJXCB-UHFFFAOYSA-N -1 1 281.279 1.721 20 0 CDADMM c1cncc(Oc2cc(-c3nn[n-]n3)nc(C3CC3)n2)c1 ZINC001593587711 1174155680 /nfs/dbraw/zinc/15/56/80/1174155680.db2.gz NFCGLDLLJYJXCB-UHFFFAOYSA-N -1 1 281.279 1.721 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2C3CCCC2CCC3)n1 ZINC001593588652 1174155750 /nfs/dbraw/zinc/15/57/50/1174155750.db2.gz FJJLIKIXRUWEPX-UHFFFAOYSA-N -1 1 271.328 1.568 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2C3CCCC2CCC3)n1 ZINC001593588652 1174155754 /nfs/dbraw/zinc/15/57/54/1174155754.db2.gz FJJLIKIXRUWEPX-UHFFFAOYSA-N -1 1 271.328 1.568 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC001593589965 1174156908 /nfs/dbraw/zinc/15/69/08/1174156908.db2.gz ASZZCAJGBDNPIX-FXPVBKGRSA-N -1 1 287.327 1.026 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC001593589965 1174156921 /nfs/dbraw/zinc/15/69/21/1174156921.db2.gz ASZZCAJGBDNPIX-FXPVBKGRSA-N -1 1 287.327 1.026 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(N2CCCC3(CCCC3)C2)n1 ZINC001593590637 1174156976 /nfs/dbraw/zinc/15/69/76/1174156976.db2.gz AKMBNMYKWCCRKF-UHFFFAOYSA-N -1 1 285.355 1.817 20 0 CDADMM c1nc(NCCCC2CCOCC2)cc(-c2nnn[n-]2)n1 ZINC001593591466 1174160446 /nfs/dbraw/zinc/16/04/46/1174160446.db2.gz QVLFBPBQWHJHNS-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM c1nc(NCCCC2CCOCC2)cc(-c2nn[n-]n2)n1 ZINC001593591466 1174160450 /nfs/dbraw/zinc/16/04/50/1174160450.db2.gz QVLFBPBQWHJHNS-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC001593594663 1174162391 /nfs/dbraw/zinc/16/23/91/1174162391.db2.gz FKDDUTMHEYUHST-XXILOJSOSA-N -1 1 299.338 1.026 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC001593594663 1174162397 /nfs/dbraw/zinc/16/23/97/1174162397.db2.gz FKDDUTMHEYUHST-XXILOJSOSA-N -1 1 299.338 1.026 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1N[C@@H]1C[C@H]2CCC[C@H]21 ZINC001593594850 1174165325 /nfs/dbraw/zinc/16/53/25/1174165325.db2.gz IPCVAUUXMQGKSQ-IWSPIJDZSA-N -1 1 257.301 1.257 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1N[C@@H]1C[C@H]2CCC[C@H]21 ZINC001593594850 1174165330 /nfs/dbraw/zinc/16/53/30/1174165330.db2.gz IPCVAUUXMQGKSQ-IWSPIJDZSA-N -1 1 257.301 1.257 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NCC[C@@H]2CCSC2)n1 ZINC001593595457 1174166017 /nfs/dbraw/zinc/16/60/17/1174166017.db2.gz QOJUWGPNNBJXSQ-MRVPVSSYSA-N -1 1 277.357 1.212 20 0 CDADMM Cc1c(F)nccc1CN1CCSC[C@@H]1CC(=O)[O-] ZINC001600010493 1174339655 /nfs/dbraw/zinc/33/96/55/1174339655.db2.gz LWCQCVPSBMYTIN-NSHDSACASA-N -1 1 284.356 1.921 20 0 CDADMM Cc1cc(C(=O)[O-])ccc1NC(=O)Nc1c[nH]nn1 ZINC001600122574 1174366788 /nfs/dbraw/zinc/36/67/88/1174366788.db2.gz KKELCJDASZVPEW-UHFFFAOYSA-N -1 1 261.241 1.455 20 0 CDADMM Cc1cc(NC(=O)CN2CC[C@H](C)C2)ccc1C(=O)[O-] ZINC001600255534 1174426255 /nfs/dbraw/zinc/42/62/55/1174426255.db2.gz SJWFIUWVYBWZIP-JTQLQIEISA-N -1 1 276.336 1.974 20 0 CDADMM Cc1ccc2[nH]nnc2c1NC(=O)c1cc(C(=O)[O-])on1 ZINC001600490553 1174489282 /nfs/dbraw/zinc/48/92/82/1174489282.db2.gz WMNIHJGDVGZESV-UHFFFAOYSA-N -1 1 287.235 1.205 20 0 CDADMM Cc1[nH+]c(N2C[C@H](C)C[C@@H](C(=O)[O-])C2)ccc1C(=O)[O-] ZINC001600707872 1174575331 /nfs/dbraw/zinc/57/53/31/1174575331.db2.gz AGKZAUBQQWWEFD-PSASIEDQSA-N -1 1 278.308 1.635 20 0 CDADMM Cc1oc(CNCc2ncccc2O)cc1C(=O)[O-] ZINC001600852544 1174644283 /nfs/dbraw/zinc/64/42/83/1174644283.db2.gz VGUOAQJXTYQFDV-UHFFFAOYSA-N -1 1 262.265 1.677 20 0 CDADMM O=C([O-])C1(CNC(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC001601469653 1174878451 /nfs/dbraw/zinc/87/84/51/1174878451.db2.gz HLQUTTTZJIPTMC-UHFFFAOYSA-N -1 1 286.291 1.066 20 0 CDADMM O=C([O-])[C@@H](F)CNC(=O)c1n[nH]c2ccc(Cl)cc21 ZINC001601524522 1174891868 /nfs/dbraw/zinc/89/18/68/1174891868.db2.gz WGLNSBDKOKEIAV-ZETCQYMHSA-N -1 1 285.662 1.369 20 0 CDADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)c1cccc(C2CC2)c1 ZINC001601568131 1174901189 /nfs/dbraw/zinc/90/11/89/1174901189.db2.gz HFBXNEZCAZXFDM-CQSZACIVSA-N -1 1 299.330 1.713 20 0 CDADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)C1=CCCCCC1 ZINC001601567985 1174902131 /nfs/dbraw/zinc/90/21/31/1174902131.db2.gz DMDJRUWUXKBATI-GFCCVEGCSA-N -1 1 277.324 1.412 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2n[nH]c3cc(O)ccc32)ccn1 ZINC001601629076 1174916917 /nfs/dbraw/zinc/91/69/17/1174916917.db2.gz XULQYZUEBZMDBG-UHFFFAOYSA-N -1 1 298.258 1.614 20 0 CDADMM O=C([O-])[C@]1(F)CCN(Cc2ccnn2-c2ccncc2)C1 ZINC001601716753 1174964045 /nfs/dbraw/zinc/96/40/45/1174964045.db2.gz FKITWCMBQMNFLY-AWEZNQCLSA-N -1 1 290.298 1.266 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](O)C[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC001601766434 1174995549 /nfs/dbraw/zinc/99/55/49/1174995549.db2.gz BWUKFJTWTSVWJU-UONOGXRCSA-N -1 1 289.331 1.230 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@@H]1NCc1ncc(C2CC2)o1 ZINC001601807400 1175015383 /nfs/dbraw/zinc/01/53/83/1175015383.db2.gz FZMBLPWGHYHRAX-ZJUUUORDSA-N -1 1 250.298 1.895 20 0 CDADMM O=C([O-])/C=C/c1ccc(CN2CC[C@@]3(O)C[C@H]3C2)o1 ZINC001601880173 1175049607 /nfs/dbraw/zinc/04/96/07/1175049607.db2.gz RYNGJPJCCGZBKF-CKSRXYTDSA-N -1 1 263.293 1.334 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(Cc3noc4c3CCCC4)C[C@@H]21 ZINC001602205883 1175163779 /nfs/dbraw/zinc/16/37/79/1175163779.db2.gz BLDNHQZIVGPXOJ-IWIIMEHWSA-N -1 1 262.309 1.316 20 0 CDADMM O=C([O-])[C@H]1CC[C@H](c2nc([C@@H]3CCCN3)no2)CC1 ZINC001602214569 1175170061 /nfs/dbraw/zinc/17/00/61/1175170061.db2.gz UDGSSYCEBBVZHT-GUBZILKMSA-N -1 1 265.313 1.853 20 0 CDADMM O=C([O-])c1c[nH]c(CN2CCC[C@@H](O)C2)c1C1CC1 ZINC001602234473 1175176136 /nfs/dbraw/zinc/17/61/36/1175176136.db2.gz UTGRCERWRMYFDF-SNVBAGLBSA-N -1 1 264.325 1.547 20 0 CDADMM O=C([O-])c1cc(CN2CCCC3(CCOCC3)C2)on1 ZINC001602256486 1175183658 /nfs/dbraw/zinc/18/36/58/1175183658.db2.gz ZXYPICSBQLANRX-UHFFFAOYSA-N -1 1 280.324 1.765 20 0 CDADMM O=C([O-])c1ccc(N[C@@H]2CCCc3cn[nH]c32)nn1 ZINC001602381902 1175229582 /nfs/dbraw/zinc/22/95/82/1175229582.db2.gz PZVMWOUNXGXCEZ-MRVPVSSYSA-N -1 1 259.269 1.387 20 0 CDADMM O=C([O-])c1ccc2c(c1)CN(C[C@H](O)C1(O)CCCC1)C2 ZINC001602421028 1175234471 /nfs/dbraw/zinc/23/44/71/1175234471.db2.gz LDAMQYGAOBVUMD-AWEZNQCLSA-N -1 1 291.347 1.366 20 0 CDADMM O=C([O-])c1cnc(CN2CC[C@H](O)C23CCCC3)s1 ZINC001602519026 1175265740 /nfs/dbraw/zinc/26/57/40/1175265740.db2.gz NPNHIWSBUSUUMI-JTQLQIEISA-N -1 1 282.365 1.721 20 0 CDADMM O=C([O-])c1coc(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)c1 ZINC001602554879 1175294198 /nfs/dbraw/zinc/29/41/98/1175294198.db2.gz WCQWLQXZOWGDJH-NXEZZACHSA-N -1 1 275.264 1.121 20 0 CDADMM O=C([O-])c1csc(CN(C[C@@H]2CCOC2)C2CC2)n1 ZINC001602558461 1175295854 /nfs/dbraw/zinc/29/58/54/1175295854.db2.gz QXVJTCKDESPSQZ-VIFPVBQESA-N -1 1 282.365 1.842 20 0 CDADMM C/C(=C\C(=O)[O-])CN1CCN(Cc2cccc(O)c2)CC1 ZINC001602957566 1175459716 /nfs/dbraw/zinc/45/97/16/1175459716.db2.gz HVZYMTNQEMVSTG-UKTHLTGXSA-N -1 1 290.363 1.541 20 0 CDADMM CC(C)(C(=O)Nc1n[nH]cc1-c1nnn[n-]1)C1CCC1 ZINC001603048735 1175482739 /nfs/dbraw/zinc/48/27/39/1175482739.db2.gz PXGLKYCZIIBGLT-UHFFFAOYSA-N -1 1 275.316 1.355 20 0 CDADMM CC(C)(C(=O)Nc1n[nH]cc1-c1nn[n-]n1)C1CCC1 ZINC001603048735 1175482744 /nfs/dbraw/zinc/48/27/44/1175482744.db2.gz PXGLKYCZIIBGLT-UHFFFAOYSA-N -1 1 275.316 1.355 20 0 CDADMM CC(=O)OC1CCN(Cc2cc(C(=O)[O-])c(C)[nH]2)CC1 ZINC001603086648 1175489121 /nfs/dbraw/zinc/48/91/21/1175489121.db2.gz UULGTNILHXRMDA-UHFFFAOYSA-N -1 1 280.324 1.549 20 0 CDADMM CC(=O)c1ccc(C(=O)O[C@@H]2C[C@@H](C(=O)[O-])[N@@H+](C)C2)cc1 ZINC001603107720 1175491088 /nfs/dbraw/zinc/49/10/88/1175491088.db2.gz HQHICEJAYACDIG-OLZOCXBDSA-N -1 1 291.303 1.203 20 0 CDADMM CC(=O)c1ccc(C(=O)O[C@@H]2C[C@@H](C(=O)[O-])N(C)C2)cc1 ZINC001603107720 1175491091 /nfs/dbraw/zinc/49/10/91/1175491091.db2.gz HQHICEJAYACDIG-OLZOCXBDSA-N -1 1 291.303 1.203 20 0 CDADMM COc1cc(C)[n-]c(=NNC(=O)[C@H](C)n2cccc2)n1 ZINC000126913115 1175520551 /nfs/dbraw/zinc/52/05/51/1175520551.db2.gz UNHSUDWZSMZQDU-JTQLQIEISA-N -1 1 275.312 1.299 20 0 CDADMM CC(C)[C@@H]1C[C@H]1COC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603243759 1175524667 /nfs/dbraw/zinc/52/46/67/1175524667.db2.gz HOSIAYKLIXKNMT-WPRPVWTQSA-N -1 1 276.296 1.909 20 0 CDADMM CC(C)[C@@H]1C[C@H]1COC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001603243759 1175524674 /nfs/dbraw/zinc/52/46/74/1175524674.db2.gz HOSIAYKLIXKNMT-WPRPVWTQSA-N -1 1 276.296 1.909 20 0 CDADMM CC(C)[C@H]1C[C@@H]1C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001603241099 1175525013 /nfs/dbraw/zinc/52/50/13/1175525013.db2.gz KVBSKIXKUJLWAW-MNOVXSKESA-N -1 1 286.339 1.517 20 0 CDADMM CC(C)[C@H]1C[C@@H]1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001603241099 1175525025 /nfs/dbraw/zinc/52/50/25/1175525025.db2.gz KVBSKIXKUJLWAW-MNOVXSKESA-N -1 1 286.339 1.517 20 0 CDADMM C[C@H](Cn1cc(-c2nn[n-]n2)ccc1=O)C(C)(C)C ZINC001603590448 1175570970 /nfs/dbraw/zinc/57/09/70/1175570970.db2.gz DZBUVWGDTZMNHX-SECBINFHSA-N -1 1 261.329 1.711 20 0 CDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H](O)c1ccccc1 ZINC001603682517 1175595213 /nfs/dbraw/zinc/59/52/13/1175595213.db2.gz WAJLPBHVBUDFNI-NOZJJQNGSA-N -1 1 297.322 1.191 20 0 CDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H](O)c1ccccc1 ZINC001603682517 1175595222 /nfs/dbraw/zinc/59/52/22/1175595222.db2.gz WAJLPBHVBUDFNI-NOZJJQNGSA-N -1 1 297.322 1.191 20 0 CDADMM CC(C)CN(CC(=O)[O-])c1nc(Cl)nc2[nH]cnc21 ZINC001603805739 1175637912 /nfs/dbraw/zinc/63/79/12/1175637912.db2.gz OJGDBLADOIHUPQ-UHFFFAOYSA-N -1 1 283.719 1.553 20 0 CDADMM CC(C)CN1CCN(C[C@H]2CCCC[C@H]2C(=O)[O-])CC1=O ZINC001603816462 1175641975 /nfs/dbraw/zinc/64/19/75/1175641975.db2.gz PCBRIKQIXHVZFU-ZIAGYGMSSA-N -1 1 296.411 1.678 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC=C(C)CC2)c1 ZINC001603827725 1175646722 /nfs/dbraw/zinc/64/67/22/1175646722.db2.gz RMGDCCKIOHADJJ-UHFFFAOYSA-N -1 1 256.313 1.727 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC=C(C)CC2)c1 ZINC001603827725 1175646723 /nfs/dbraw/zinc/64/67/23/1175646723.db2.gz RMGDCCKIOHADJJ-UHFFFAOYSA-N -1 1 256.313 1.727 20 0 CDADMM CC1CCC(Cn2cncc(-c3nn[n-]n3)c2=O)CC1 ZINC001603878663 1175666366 /nfs/dbraw/zinc/66/63/66/1175666366.db2.gz WLWUCOAHYOLEGJ-UHFFFAOYSA-N -1 1 274.328 1.250 20 0 CDADMM C[C@@H]1CC[C@H]1NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001603879439 1175666636 /nfs/dbraw/zinc/66/66/36/1175666636.db2.gz CDCWJQFHEFUCOG-LHLIQPBNSA-N -1 1 293.277 1.673 20 0 CDADMM C[C@@H]1CC[C@H]1NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001603879439 1175666640 /nfs/dbraw/zinc/66/66/40/1175666640.db2.gz CDCWJQFHEFUCOG-LHLIQPBNSA-N -1 1 293.277 1.673 20 0 CDADMM C[C@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)[C@H]1C ZINC001603897726 1175676796 /nfs/dbraw/zinc/67/67/96/1175676796.db2.gz JQRIVGJBXBBODL-IUCAKERBSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)[C@H]1C ZINC001603897726 1175676801 /nfs/dbraw/zinc/67/68/01/1175676801.db2.gz JQRIVGJBXBBODL-IUCAKERBSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@H](C)NC(=O)CSc1cccnc1-c1nnn[n-]1 ZINC001604007011 1175717386 /nfs/dbraw/zinc/71/73/86/1175717386.db2.gz JXZVZIYMAARHEU-QMMMGPOBSA-N -1 1 292.368 1.269 20 0 CDADMM CC[C@H](C)NC(=O)CSc1cccnc1-c1nn[n-]n1 ZINC001604007011 1175717389 /nfs/dbraw/zinc/71/73/89/1175717389.db2.gz JXZVZIYMAARHEU-QMMMGPOBSA-N -1 1 292.368 1.269 20 0 CDADMM CCC(CC)N(CC)c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001604025934 1175723416 /nfs/dbraw/zinc/72/34/16/1175723416.db2.gz UQWGWZVKQCYWFP-UHFFFAOYSA-N -1 1 275.360 1.980 20 0 CDADMM CCC(CC)N(CC)c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001604025934 1175723421 /nfs/dbraw/zinc/72/34/21/1175723421.db2.gz UQWGWZVKQCYWFP-UHFFFAOYSA-N -1 1 275.360 1.980 20 0 CDADMM CC[C@H](COC)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001604039744 1175728538 /nfs/dbraw/zinc/72/85/38/1175728538.db2.gz PZJZCSMMYIMNQY-RXMQYKEDSA-N -1 1 288.764 1.814 20 0 CDADMM CC[C@H](COC)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001604039744 1175728546 /nfs/dbraw/zinc/72/85/46/1175728546.db2.gz PZJZCSMMYIMNQY-RXMQYKEDSA-N -1 1 288.764 1.814 20 0 CDADMM CCC(F)(F)CNc1cccc(-c2nnn[n-]2)n1 ZINC001604044295 1175730873 /nfs/dbraw/zinc/73/08/73/1175730873.db2.gz XAYRMOHVECTUAQ-UHFFFAOYSA-N -1 1 254.244 1.719 20 0 CDADMM CCC(F)(F)CNc1cccc(-c2nn[n-]n2)n1 ZINC001604044295 1175730880 /nfs/dbraw/zinc/73/08/80/1175730880.db2.gz XAYRMOHVECTUAQ-UHFFFAOYSA-N -1 1 254.244 1.719 20 0 CDADMM CC[C@H](NCc1ccc(-c2nnn[n-]2)o1)C(F)F ZINC001604062154 1175742163 /nfs/dbraw/zinc/74/21/63/1175742163.db2.gz PNALABVRIBPCNX-ZETCQYMHSA-N -1 1 257.244 1.593 20 0 CDADMM CC[C@H](NCc1ccc(-c2nn[n-]n2)o1)C(F)F ZINC001604062154 1175742167 /nfs/dbraw/zinc/74/21/67/1175742167.db2.gz PNALABVRIBPCNX-ZETCQYMHSA-N -1 1 257.244 1.593 20 0 CDADMM CC[C@@H]1C[C@H](Nc2ncncc2-c2nn[n-]n2)CCO1 ZINC001604097795 1175759523 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268.244 1.744 20 0 CDADMM O=C1NCCCN1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350841756 316211416 /nfs/dbraw/zinc/21/14/16/316211416.db2.gz WOGIOAHUDNJLGY-UHFFFAOYSA-N -1 1 292.270 1.497 20 0 CDADMM CCc1cc(=O)[n-]c(S[C@H](C)c2nccc(N)n2)n1 ZINC000566497884 316617183 /nfs/dbraw/zinc/61/71/83/316617183.db2.gz NPLYNSPKKUCIRB-SSDOTTSWSA-N -1 1 277.353 1.800 20 0 CDADMM Cc1o[n-]c(=N)c1S(=O)(=O)NC[C@H]1CCC[C@@H](C)C1 ZINC000576029659 317060627 /nfs/dbraw/zinc/06/06/27/317060627.db2.gz VVJPKAPBIHKURT-SCZZXKLOSA-N -1 1 287.385 1.500 20 0 CDADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](C)C1 ZINC000576029659 317060629 /nfs/dbraw/zinc/06/06/29/317060629.db2.gz VVJPKAPBIHKURT-SCZZXKLOSA-N -1 1 287.385 1.500 20 0 CDADMM COC[C@@H](NC(=O)c1ccc([O-])cc1F)[C@H]1CCCO1 ZINC000576101639 317074284 /nfs/dbraw/zinc/07/42/84/317074284.db2.gz GQVOUTGIYSOUCI-CHWSQXEVSA-N -1 1 283.299 1.455 20 0 CDADMM CCO[C@H]1C[C@@H]1NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000576660259 317183551 /nfs/dbraw/zinc/18/35/51/317183551.db2.gz 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CC(C)[C@@H](O)CC[N-]S(=O)(=O)c1cccc(F)c1F ZINC000305187197 528624822 /nfs/dbraw/zinc/62/48/22/528624822.db2.gz FEOPUSRBHUGSTB-JTQLQIEISA-N -1 1 293.335 1.650 20 0 CDADMM C[C@]1(CO)CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000093340445 1174437720 /nfs/dbraw/zinc/43/77/20/1174437720.db2.gz NHRSIRZLYLDLAM-AWEZNQCLSA-N -1 1 280.324 1.895 20 0 CDADMM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)CN(C)C1CCC1 ZINC001600344324 1174449873 /nfs/dbraw/zinc/44/98/73/1174449873.db2.gz GQAWQZHLOLYXGL-UHFFFAOYSA-N -1 1 292.335 1.822 20 0 CDADMM Cc1cccc(-c2n[nH]cc2CN[C@H](CF)C(=O)[O-])c1 ZINC001600506100 1174490940 /nfs/dbraw/zinc/49/09/40/1174490940.db2.gz HYTXBVPLHHGTCL-GFCCVEGCSA-N -1 1 277.299 1.897 20 0 CDADMM Cc1nc([C@@H](C)OC(=O)c2cc(C(=O)[O-])oc2C)n[nH]1 ZINC001600666982 1174555755 /nfs/dbraw/zinc/55/57/55/1174555755.db2.gz MDKNWWYABYHYCS-ZCFIWIBFSA-N -1 1 279.252 1.631 20 0 CDADMM CN1CC(C(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)=NC1=O ZINC001600931082 1174667816 /nfs/dbraw/zinc/66/78/16/1174667816.db2.gz 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/nfs/dbraw/zinc/85/96/96/1174859696.db2.gz PVUNLUKDGHITEE-ZETCQYMHSA-N -1 1 295.188 1.509 20 0 CDADMM COCCCOC1CCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000737761206 574881507 /nfs/dbraw/zinc/88/15/07/574881507.db2.gz CCQJRUJONKPZRC-UHFFFAOYSA-N -1 1 297.351 1.995 20 0 CDADMM C[C@@H](c1nc(C2CC2)no1)N1CCN(CCC(=O)[O-])CC1 ZINC000737719457 575000664 /nfs/dbraw/zinc/00/06/64/575000664.db2.gz DDKBZIVHOHWKTC-JTQLQIEISA-N -1 1 294.355 1.100 20 0 CDADMM COCC[N@H+]1CCN(Cc2cc(C(=O)[O-])c(C)o2)C[C@@H]1C ZINC000737814662 575047533 /nfs/dbraw/zinc/04/75/33/575047533.db2.gz XSGSAIRSDRJDFV-NSHDSACASA-N -1 1 296.367 1.439 20 0 CDADMM COCCS(=O)(=O)[N-]c1cccc(OC)c1F ZINC000769889318 575395249 /nfs/dbraw/zinc/39/52/49/575395249.db2.gz HZLUPXRVVMEKES-UHFFFAOYSA-N -1 1 263.290 1.222 20 0 CDADMM C[C@@]1(NC(=O)c2c([O-])cccc2Cl)CCOC1 ZINC000770115764 575423467 /nfs/dbraw/zinc/42/34/67/575423467.db2.gz KRJXZXZPTYSJFD-GFCCVEGCSA-N -1 1 255.701 1.954 20 0 CDADMM O=c1cc(CN2CCn3ncnc3C2)c2ccc([O-])cc2o1 ZINC000770685203 575485973 /nfs/dbraw/zinc/48/59/73/575485973.db2.gz CSWPYVBDTXOFMD-UHFFFAOYSA-N -1 1 298.302 1.106 20 0 CDADMM C[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CCS1 ZINC000736290505 575613732 /nfs/dbraw/zinc/61/37/32/575613732.db2.gz QGMATGKHZHJABP-ZETCQYMHSA-N -1 1 296.787 1.857 20 0 CDADMM C[C@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CCS1 ZINC000736290505 575613736 /nfs/dbraw/zinc/61/37/36/575613736.db2.gz QGMATGKHZHJABP-ZETCQYMHSA-N -1 1 296.787 1.857 20 0 CDADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCCC1 ZINC000736505453 575680477 /nfs/dbraw/zinc/68/04/77/575680477.db2.gz IVXZFMQTQTWJHC-UHFFFAOYSA-N -1 1 286.339 1.666 20 0 CDADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)C1CCCC1 ZINC000736505453 575680479 /nfs/dbraw/zinc/68/04/79/575680479.db2.gz IVXZFMQTQTWJHC-UHFFFAOYSA-N -1 1 286.339 1.666 20 0 CDADMM C[C@H](CN(C)C(=O)[C@H](Cc1ccccc1)N(C)C)C(=O)[O-] ZINC000736571821 575693477 /nfs/dbraw/zinc/69/34/77/575693477.db2.gz VNPUWJYREHWUGK-OCCSQVGLSA-N -1 1 292.379 1.338 20 0 CDADMM CCC[C@H](C)N1C[C@@H](C(=O)[N-]OCCOCC)CC1=O ZINC000772699235 575738011 /nfs/dbraw/zinc/73/80/11/575738011.db2.gz JQNZHVNBBWSPND-RYUDHWBXSA-N -1 1 286.372 1.108 20 0 CDADMM CN(C)c1ncccc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000736779122 575741152 /nfs/dbraw/zinc/74/11/52/575741152.db2.gz KZAYGIVWQPGIKP-UHFFFAOYSA-N -1 1 296.338 1.335 20 0 CDADMM O=C([O-])[C@@H]1CC12CCN(Cc1ncccc1F)CC2 ZINC001601774769 1175001013 /nfs/dbraw/zinc/00/10/13/1175001013.db2.gz MOSRHVCUPXLFLB-JTQLQIEISA-N -1 1 264.300 1.907 20 0 CDADMM CCN(CC(=O)NCCC(=O)[O-])Cc1ccccc1 ZINC000737067155 575809062 /nfs/dbraw/zinc/80/90/62/575809062.db2.gz HOKXIHOAHDCMJH-UHFFFAOYSA-N -1 1 264.325 1.099 20 0 CDADMM O=C(COC(=O)c1ccc([O-])cc1F)NCC(F)(F)F ZINC000773571137 575827035 /nfs/dbraw/zinc/82/70/35/575827035.db2.gz PFRKDPCRBMRCHP-UHFFFAOYSA-N -1 1 295.188 1.367 20 0 CDADMM O=C(OCc1cc(=O)c(O)co1)c1ccc([O-])cc1F ZINC000773572888 575827274 /nfs/dbraw/zinc/82/72/74/575827274.db2.gz ZAFXWIGZOKLGPF-UHFFFAOYSA-N -1 1 280.207 1.547 20 0 CDADMM O=C(Nc1cccc(O)c1)c1ccc2n[n-]c(=S)n2c1 ZINC000773690537 575833671 /nfs/dbraw/zinc/83/36/71/575833671.db2.gz QANHOYTZUAILMS-UHFFFAOYSA-N -1 1 286.316 1.976 20 0 CDADMM CS[C@H]1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC000737180393 575896791 /nfs/dbraw/zinc/89/67/91/575896791.db2.gz QDAHZRZKIGLABD-IUCAKERBSA-N -1 1 291.384 1.743 20 0 CDADMM CS[C@H]1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC000737180393 575896793 /nfs/dbraw/zinc/89/67/93/575896793.db2.gz QDAHZRZKIGLABD-IUCAKERBSA-N -1 1 291.384 1.743 20 0 CDADMM Cc1ccccc1[C@@H](C)CC(=O)OCc1nn[n-]n1 ZINC000737421831 575961179 /nfs/dbraw/zinc/96/11/79/575961179.db2.gz MPGLFWHQVFYEIS-JTQLQIEISA-N -1 1 260.297 1.745 20 0 CDADMM Clc1nsc(NCc2cc[nH]n2)c1-c1nnn[n-]1 ZINC000737582489 575996787 /nfs/dbraw/zinc/99/67/87/575996787.db2.gz BAIRKXOCQCXTPZ-UHFFFAOYSA-N -1 1 282.720 1.312 20 0 CDADMM Clc1nsc(NCc2cc[nH]n2)c1-c1nn[n-]n1 ZINC000737582489 575996788 /nfs/dbraw/zinc/99/67/88/575996788.db2.gz BAIRKXOCQCXTPZ-UHFFFAOYSA-N -1 1 282.720 1.312 20 0 CDADMM CC(C)[C@@H]1CC(=O)N(CN2CCC(C(=O)[O-])CC2)C1 ZINC000737617498 576002907 /nfs/dbraw/zinc/00/29/07/576002907.db2.gz SJCSKGHRJVBVLV-GFCCVEGCSA-N -1 1 268.357 1.245 20 0 CDADMM FC(F)(F)COCCNc1cccc(-c2nnn[n-]2)n1 ZINC000737626138 576004515 /nfs/dbraw/zinc/00/45/15/576004515.db2.gz ISULHNMUZBZPAD-UHFFFAOYSA-N -1 1 288.233 1.253 20 0 CDADMM FC(F)(F)COCCNc1cccc(-c2nn[n-]n2)n1 ZINC000737626138 576004516 /nfs/dbraw/zinc/00/45/16/576004516.db2.gz ISULHNMUZBZPAD-UHFFFAOYSA-N -1 1 288.233 1.253 20 0 CDADMM Cc1cc(C(=O)OCc2nc(=O)n(C)[n-]2)c(C)n1C(C)C ZINC000765389042 576015474 /nfs/dbraw/zinc/01/54/74/576015474.db2.gz DQILQAWTOJSPEY-UHFFFAOYSA-N -1 1 292.339 1.465 20 0 CDADMM Cc1cc(C(=O)OCc2nc(=O)n(C)[n-]2)c2ccccc2n1 ZINC000765393961 576015731 /nfs/dbraw/zinc/01/57/31/576015731.db2.gz XQHQURPOOVSGDE-UHFFFAOYSA-N -1 1 298.302 1.322 20 0 CDADMM Cc1ccccc1C1(C(=O)OCc2nc(=O)n(C)[n-]2)CC1 ZINC000765464195 576026872 /nfs/dbraw/zinc/02/68/72/576026872.db2.gz NOVHOVKJGJZJGJ-UHFFFAOYSA-N -1 1 287.319 1.192 20 0 CDADMM Cc1ccc(C(F)(F)C(=O)OCc2nc(=O)n(C)[n-]2)cc1 ZINC000765510554 576033468 /nfs/dbraw/zinc/03/34/68/576033468.db2.gz BTSAPIRZVVIZRA-UHFFFAOYSA-N -1 1 297.261 1.252 20 0 CDADMM Cc1cc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)n[nH]1 ZINC000738318764 576058606 /nfs/dbraw/zinc/05/86/06/576058606.db2.gz DTQGXKUWVKDGOB-LBPRGKRZSA-N -1 1 273.292 1.616 20 0 CDADMM Cc1nnc(NC(=O)c2ccc(NC(=O)[O-])cc2)[nH]1 ZINC000738360848 576062406 /nfs/dbraw/zinc/06/24/06/576062406.db2.gz NIEHHNFYKUVVAR-UHFFFAOYSA-N -1 1 261.241 1.455 20 0 CDADMM O=C([O-])CCCSc1nc(-c2cccnc2)n[nH]1 ZINC000738586147 576091751 /nfs/dbraw/zinc/09/17/51/576091751.db2.gz IAAFJVUWBCSLFT-UHFFFAOYSA-N -1 1 264.310 1.824 20 0 CDADMM Cc1nc(NC(=O)[C@H](C)N(C)C[C@H](C)C(=O)[O-])sc1C ZINC000738865144 576126309 /nfs/dbraw/zinc/12/63/09/576126309.db2.gz WUQHLGZRXULTCM-CBAPKCEASA-N -1 1 299.396 1.739 20 0 CDADMM CC[C@H]1CCCC[C@@H]1OCC(=O)OCc1nc(=O)n(C)[n-]1 ZINC000766814203 576136468 /nfs/dbraw/zinc/13/64/68/576136468.db2.gz 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1175128774 /nfs/dbraw/zinc/12/87/74/1175128774.db2.gz JGSIUXVTQSCLRM-UHFFFAOYSA-N -1 1 281.308 1.003 20 0 CDADMM CCCN(C)CC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000829457625 601876925 /nfs/dbraw/zinc/87/69/25/601876925.db2.gz COERRWKVXUCEGP-UHFFFAOYSA-N -1 1 268.288 1.804 20 0 CDADMM C[C@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)C(=O)[O-] ZINC000820136358 597462542 /nfs/dbraw/zinc/46/25/42/597462542.db2.gz QKBJXWSXLCEQPT-AAEUAGOBSA-N -1 1 276.336 1.240 20 0 CDADMM CC(C)(NCC(=O)NCCC1=CCCCC1)C(=O)[O-] ZINC000087626100 599926583 /nfs/dbraw/zinc/92/65/83/599926583.db2.gz VZMJLYSKBCLPFX-UHFFFAOYSA-N -1 1 268.357 1.446 20 0 CDADMM O=C([O-])CCCCCNC(=O)c1cccc2nc[nH]c21 ZINC000821515530 597664981 /nfs/dbraw/zinc/66/49/81/597664981.db2.gz CLGZTYPAGTVPAG-UHFFFAOYSA-N -1 1 275.308 1.938 20 0 CDADMM CCOC(=O)c1ccc(CN2CCC(C(=O)[O-])CC2)o1 ZINC000076561884 598120620 /nfs/dbraw/zinc/12/06/20/598120620.db2.gz AHDRZDBJRRDSBA-UHFFFAOYSA-N -1 1 281.308 1.753 20 0 CDADMM CC(C)(C)S(=O)(=O)CCNCc1cccc(C(=O)[O-])c1 ZINC000819932426 598203651 /nfs/dbraw/zinc/20/36/51/598203651.db2.gz BJDFZJRECRWAIT-UHFFFAOYSA-N -1 1 299.392 1.688 20 0 CDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)c1cccs1 ZINC000095230575 598337053 /nfs/dbraw/zinc/33/70/53/598337053.db2.gz GOQAWMYODBSRQE-SSDOTTSWSA-N -1 1 273.325 1.891 20 0 CDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)c1cccs1 ZINC000095230575 598337054 /nfs/dbraw/zinc/33/70/54/598337054.db2.gz GOQAWMYODBSRQE-SSDOTTSWSA-N -1 1 273.325 1.891 20 0 CDADMM Cc1csc(CCNc2nccnc2-c2nnn[n-]2)n1 ZINC000095334162 598342147 /nfs/dbraw/zinc/34/21/47/598342147.db2.gz GAKPPFJLBMXIRI-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM Cc1csc(CCNc2nccnc2-c2nn[n-]n2)n1 ZINC000095334162 598342149 /nfs/dbraw/zinc/34/21/49/598342149.db2.gz GAKPPFJLBMXIRI-UHFFFAOYSA-N -1 1 288.340 1.076 20 0 CDADMM c1ccc(OCCNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC000095168891 598383400 /nfs/dbraw/zinc/38/34/00/598383400.db2.gz VHHSHFNMCCMQHK-UHFFFAOYSA-N -1 1 283.295 1.148 20 0 CDADMM c1ccc(OCCNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC000095168891 598383402 /nfs/dbraw/zinc/38/34/02/598383402.db2.gz VHHSHFNMCCMQHK-UHFFFAOYSA-N -1 1 283.295 1.148 20 0 CDADMM c1cc2c(s1)CCN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC000095185379 598384805 /nfs/dbraw/zinc/38/48/05/598384805.db2.gz MRZZQBJDUYZUMZ-UHFFFAOYSA-N -1 1 285.336 1.281 20 0 CDADMM c1cc2c(s1)CCN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC000095185379 598384807 /nfs/dbraw/zinc/38/48/07/598384807.db2.gz MRZZQBJDUYZUMZ-UHFFFAOYSA-N -1 1 285.336 1.281 20 0 CDADMM COC[C@H](C)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736967724 598577629 /nfs/dbraw/zinc/57/76/29/598577629.db2.gz CLLZYGZLWXGQFG-SSDOTTSWSA-N -1 1 282.735 1.610 20 0 CDADMM COC[C@H](C)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736967724 598577630 /nfs/dbraw/zinc/57/76/30/598577630.db2.gz CLLZYGZLWXGQFG-SSDOTTSWSA-N -1 1 282.735 1.610 20 0 CDADMM C/C(=C/CN1CCC[C@@H](NC(=O)C(C)C)C1)C(=O)[O-] ZINC000825740900 601161102 /nfs/dbraw/zinc/16/11/02/601161102.db2.gz DLWQMWUOCYRBBL-HUMZTAOYSA-N -1 1 268.357 1.254 20 0 CDADMM CCC(CC)(CNc1ccc(-c2nnn[n-]2)nn1)SC 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O=C([O-])c1cncc(N[C@@H]2CCCc3cn[nH]c32)n1 ZINC001602541393 1175282732 /nfs/dbraw/zinc/28/27/32/1175282732.db2.gz FYANCLDGAWPGHU-MRVPVSSYSA-N -1 1 259.269 1.387 20 0 CDADMM CCCN(CCC)C(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405417996 600289213 /nfs/dbraw/zinc/28/92/13/600289213.db2.gz YRMQPDJMLVNWQC-CYBMUJFWSA-N -1 1 296.411 1.822 20 0 CDADMM CCOc1ccccc1NC(=O)CN[C@](C)(CC)C(=O)[O-] ZINC000094229104 600563188 /nfs/dbraw/zinc/56/31/88/600563188.db2.gz AJHBTEDHWNRXJZ-OAHLLOKOSA-N -1 1 294.351 1.867 20 0 CDADMM COCCN(CCC(=O)[O-])Cc1c(C)noc1C ZINC000071740341 600641069 /nfs/dbraw/zinc/64/10/69/600641069.db2.gz KEIDDQXZDCLYHM-UHFFFAOYSA-N -1 1 256.302 1.215 20 0 CDADMM Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C1=C([O-])C(C)N=N1 ZINC000826277942 607461996 /nfs/dbraw/zinc/46/19/96/607461996.db2.gz MOUNOGHOYUSOON-UHFFFAOYSA-N -1 1 299.294 1.165 20 0 CDADMM O=C([O-])C[C@@H](NC(=O)c1cnn[nH]1)c1cccc(Cl)c1 ZINC000833200045 600800191 /nfs/dbraw/zinc/80/01/91/600800191.db2.gz ZTBODOJFYKBFMZ-SECBINFHSA-N -1 1 294.698 1.404 20 0 CDADMM O=C([O-])[C@H]1CCN(Cc2nnc(-c3cccc(F)c3)o2)C1 ZINC000819286694 600817748 /nfs/dbraw/zinc/81/77/48/600817748.db2.gz HAZILOYJNAYRMO-JTQLQIEISA-N -1 1 291.282 1.782 20 0 CDADMM CN(CC(=O)Nc1cccc(C(=O)[O-])c1)C1CCC1 ZINC000830682298 601022588 /nfs/dbraw/zinc/02/25/88/601022588.db2.gz TVULKYKYNREGSN-UHFFFAOYSA-N -1 1 262.309 1.808 20 0 CDADMM Cc1ccccc1NC(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000832978532 601032201 /nfs/dbraw/zinc/03/22/01/601032201.db2.gz JLUZVESEVJHHCI-OAHLLOKOSA-N -1 1 276.336 1.776 20 0 CDADMM C[C@@H]1CCC[C@@H](C)N1C(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000828238075 601032797 /nfs/dbraw/zinc/03/27/97/601032797.db2.gz GADPFGNBAFGFTO-UEKVPHQBSA-N -1 1 282.384 1.619 20 0 CDADMM CCN(CCC(=O)[O-])CN1C[C@H](CC(C)C)CC1=O ZINC000829701939 601054818 /nfs/dbraw/zinc/05/48/18/601054818.db2.gz UOELHDVMTPWDOS-GFCCVEGCSA-N -1 1 270.373 1.635 20 0 CDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)/C=C\c2ccco2)CC1 ZINC000827355620 601095682 /nfs/dbraw/zinc/09/56/82/601095682.db2.gz 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0 CDADMM CO[C@H](C)CCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821673571 606180503 /nfs/dbraw/zinc/18/05/03/606180503.db2.gz FUOINUWNAGEESQ-SSDOTTSWSA-N -1 1 282.325 1.510 20 0 CDADMM CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821034383 606443194 /nfs/dbraw/zinc/44/31/94/606443194.db2.gz LKGOHAVNCRXSFA-SFYZADRCSA-N -1 1 277.353 1.847 20 0 CDADMM CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821034383 606443195 /nfs/dbraw/zinc/44/31/95/606443195.db2.gz LKGOHAVNCRXSFA-SFYZADRCSA-N -1 1 277.353 1.847 20 0 CDADMM CCC[C@@H]1C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821034381 606442952 /nfs/dbraw/zinc/44/29/52/606442952.db2.gz LKGOHAVNCRXSFA-HTQZYQBOSA-N -1 1 277.353 1.847 20 0 CDADMM CCC[C@@H]1C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821034381 606442954 /nfs/dbraw/zinc/44/29/54/606442954.db2.gz LKGOHAVNCRXSFA-HTQZYQBOSA-N -1 1 277.353 1.847 20 0 CDADMM CC[C@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820876935 606506232 /nfs/dbraw/zinc/50/62/32/606506232.db2.gz WVGSKRXPJMCLDF-ZETCQYMHSA-N -1 1 265.342 1.799 20 0 CDADMM CC[C@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820876935 606506233 /nfs/dbraw/zinc/50/62/33/606506233.db2.gz WVGSKRXPJMCLDF-ZETCQYMHSA-N -1 1 265.342 1.799 20 0 CDADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)no1 ZINC000822209667 606520323 /nfs/dbraw/zinc/52/03/23/606520323.db2.gz RARMMJPYXCRIPJ-UHFFFAOYSA-N -1 1 276.281 1.477 20 0 CDADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)no1 ZINC000822209667 606520324 /nfs/dbraw/zinc/52/03/24/606520324.db2.gz RARMMJPYXCRIPJ-UHFFFAOYSA-N -1 1 276.281 1.477 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820715674 606543444 /nfs/dbraw/zinc/54/34/44/606543444.db2.gz BZKVRBOFVQYCJN-SSDOTTSWSA-N -1 1 263.326 1.410 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820715674 606543445 /nfs/dbraw/zinc/54/34/45/606543445.db2.gz BZKVRBOFVQYCJN-SSDOTTSWSA-N -1 1 263.326 1.410 20 0 CDADMM CO[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821679505 606549069 /nfs/dbraw/zinc/54/90/69/606549069.db2.gz AARCNNAWDXHXGT-MRVPVSSYSA-N -1 1 293.352 1.179 20 0 CDADMM CO[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821679505 606549071 /nfs/dbraw/zinc/54/90/71/606549071.db2.gz AARCNNAWDXHXGT-MRVPVSSYSA-N -1 1 293.352 1.179 20 0 CDADMM C[C@@]1(CNc2cccc(-c3nnn[n-]3)n2)CCCO1 ZINC000820623782 606724054 /nfs/dbraw/zinc/72/40/54/606724054.db2.gz YLOGUIPHELDELE-LBPRGKRZSA-N -1 1 260.301 1.243 20 0 CDADMM C[C@@]1(CNc2cccc(-c3nn[n-]n3)n2)CCCO1 ZINC000820623782 606724055 /nfs/dbraw/zinc/72/40/55/606724055.db2.gz YLOGUIPHELDELE-LBPRGKRZSA-N -1 1 260.301 1.243 20 0 CDADMM O=C(OC[C@@H]1CCSC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823401589 606801885 /nfs/dbraw/zinc/80/18/85/606801885.db2.gz XRQQWXMHAOGKAQ-ZETCQYMHSA-N -1 1 296.377 1.838 20 0 CDADMM O=C(OC[C@@H]1CCSC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823401589 606801887 /nfs/dbraw/zinc/80/18/87/606801887.db2.gz XRQQWXMHAOGKAQ-ZETCQYMHSA-N -1 1 296.377 1.838 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CCOC3(CCCC3)C2)c1 ZINC000823742809 607032193 /nfs/dbraw/zinc/03/21/93/607032193.db2.gz LMVBREGEQPFERN-UHFFFAOYSA-N -1 1 286.339 1.411 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CCOC3(CCCC3)C2)c1 ZINC000823742809 607032196 /nfs/dbraw/zinc/03/21/96/607032196.db2.gz LMVBREGEQPFERN-UHFFFAOYSA-N -1 1 286.339 1.411 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1Cc1ccnc(Cl)c1 ZINC000823657092 607159722 /nfs/dbraw/zinc/15/97/22/607159722.db2.gz NHIYXNFFIDFVAA-UHFFFAOYSA-N -1 1 288.698 1.125 20 0 CDADMM COCCC1(CNc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000821687195 607175575 /nfs/dbraw/zinc/17/55/75/607175575.db2.gz SUCGGOPKBUUVTH-UHFFFAOYSA-N -1 1 274.328 1.490 20 0 CDADMM COCCC1(CNc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000821687195 607175576 /nfs/dbraw/zinc/17/55/76/607175576.db2.gz SUCGGOPKBUUVTH-UHFFFAOYSA-N -1 1 274.328 1.490 20 0 CDADMM Cc1nonc1COc1cccc(F)c1-c1nnn[n-]1 ZINC000826339976 607865404 /nfs/dbraw/zinc/86/54/04/607865404.db2.gz BGJSYLPSOOLKRB-UHFFFAOYSA-N -1 1 276.231 1.276 20 0 CDADMM Cc1nonc1COc1cccc(F)c1-c1nn[n-]n1 ZINC000826339976 607865405 /nfs/dbraw/zinc/86/54/05/607865405.db2.gz BGJSYLPSOOLKRB-UHFFFAOYSA-N -1 1 276.231 1.276 20 0 CDADMM Cc1cc(COc2cccc(F)c2-c2nnn[n-]2)on1 ZINC000826267650 607866365 /nfs/dbraw/zinc/86/63/65/607866365.db2.gz OSJPNGMKOIIOIP-UHFFFAOYSA-N -1 1 275.243 1.881 20 0 CDADMM Cc1cc(COc2cccc(F)c2-c2nn[n-]n2)on1 ZINC000826267650 607866366 /nfs/dbraw/zinc/86/63/66/607866366.db2.gz OSJPNGMKOIIOIP-UHFFFAOYSA-N -1 1 275.243 1.881 20 0 CDADMM c1[nH]nc2ccc(Nc3cccc(-c4nn[n-]n4)n3)cc12 ZINC000826517462 607896225 /nfs/dbraw/zinc/89/62/25/607896225.db2.gz DCYYTCBUVAYHHS-UHFFFAOYSA-N -1 1 278.279 1.882 20 0 CDADMM Oc1ccccc1CCNc1cccc(-c2nnn[n-]2)n1 ZINC000826511281 607897607 /nfs/dbraw/zinc/89/76/07/607897607.db2.gz JHQCZGNHOJJYQF-UHFFFAOYSA-N -1 1 282.307 1.622 20 0 CDADMM Oc1ccccc1CCNc1cccc(-c2nn[n-]n2)n1 ZINC000826511281 607897608 /nfs/dbraw/zinc/89/76/08/607897608.db2.gz JHQCZGNHOJJYQF-UHFFFAOYSA-N -1 1 282.307 1.622 20 0 CDADMM CCCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825285534 607932218 /nfs/dbraw/zinc/93/22/18/607932218.db2.gz ZPKJOQVDUYOKEP-UHFFFAOYSA-N -1 1 295.368 1.163 20 0 CDADMM CCCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825285534 607932219 /nfs/dbraw/zinc/93/22/19/607932219.db2.gz ZPKJOQVDUYOKEP-UHFFFAOYSA-N -1 1 295.368 1.163 20 0 CDADMM CCC[C@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC000825260074 607992761 /nfs/dbraw/zinc/99/27/61/607992761.db2.gz MPIWXDQHQUTDCK-LBPRGKRZSA-N -1 1 288.355 1.263 20 0 CDADMM Cc1nnc(COc2cccc(F)c2-c2nnn[n-]2)s1 ZINC000826336231 608290494 /nfs/dbraw/zinc/29/04/94/608290494.db2.gz RZGPINPEOXXYCO-UHFFFAOYSA-N -1 1 292.299 1.745 20 0 CDADMM Cc1nnc(COc2cccc(F)c2-c2nn[n-]n2)s1 ZINC000826336231 608290496 /nfs/dbraw/zinc/29/04/96/608290496.db2.gz RZGPINPEOXXYCO-UHFFFAOYSA-N -1 1 292.299 1.745 20 0 CDADMM CSCCOc1cccc(F)c1-c1nnn[n-]1 ZINC000826229104 608293447 /nfs/dbraw/zinc/29/34/47/608293447.db2.gz OYROBTDHVUXQJW-UHFFFAOYSA-N -1 1 254.290 1.748 20 0 CDADMM CSCCOc1cccc(F)c1-c1nn[n-]n1 ZINC000826229104 608293449 /nfs/dbraw/zinc/29/34/49/608293449.db2.gz OYROBTDHVUXQJW-UHFFFAOYSA-N -1 1 254.290 1.748 20 0 CDADMM CS[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826226678 608420316 /nfs/dbraw/zinc/42/03/16/608420316.db2.gz DWCMPAKZENZXNR-BDAKNGLRSA-N -1 1 291.384 1.743 20 0 CDADMM CS[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826226678 608420317 /nfs/dbraw/zinc/42/03/17/608420317.db2.gz DWCMPAKZENZXNR-BDAKNGLRSA-N -1 1 291.384 1.743 20 0 CDADMM Cn1cnc2cc(Nc3ccc(-c4nn[n-]n4)nn3)ccc21 ZINC000826365279 608426572 /nfs/dbraw/zinc/42/65/72/608426572.db2.gz HSJCRGIIRHOISA-UHFFFAOYSA-N -1 1 293.294 1.287 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000826514682 608433919 /nfs/dbraw/zinc/43/39/19/608433919.db2.gz ZGTDRTUHNSWLIM-NGZCFLSTSA-N -1 1 287.327 1.026 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000826514682 608433921 /nfs/dbraw/zinc/43/39/21/608433921.db2.gz ZGTDRTUHNSWLIM-NGZCFLSTSA-N -1 1 287.327 1.026 20 0 CDADMM c1cc(N2CCCC23CCCCC3)nnc1-c1nnn[n-]1 ZINC000826517093 608439395 /nfs/dbraw/zinc/43/93/95/608439395.db2.gz PTTMCZWJBHIDNE-UHFFFAOYSA-N -1 1 285.355 1.960 20 0 CDADMM c1cc(N2CCCC23CCCCC3)nnc1-c1nn[n-]n1 ZINC000826517093 608439397 /nfs/dbraw/zinc/43/93/97/608439397.db2.gz PTTMCZWJBHIDNE-UHFFFAOYSA-N -1 1 285.355 1.960 20 0 CDADMM Cc1cc(Cn2ccnc2-c2nnn[n-]2)c(C)s1 ZINC000826268335 608888632 /nfs/dbraw/zinc/88/86/32/608888632.db2.gz SSZWORWNEBJFLT-UHFFFAOYSA-N -1 1 260.326 1.790 20 0 CDADMM Cc1cc(Cn2ccnc2-c2nn[n-]n2)c(C)s1 ZINC000826268335 608888633 /nfs/dbraw/zinc/88/86/33/608888633.db2.gz SSZWORWNEBJFLT-UHFFFAOYSA-N -1 1 260.326 1.790 20 0 CDADMM Cc1ccc2nc(Cn3ccnc3-c3nnn[n-]3)cn2c1 ZINC000826295427 608890496 /nfs/dbraw/zinc/89/04/96/608890496.db2.gz GZHRXXXRNWEMMB-UHFFFAOYSA-N -1 1 280.295 1.068 20 0 CDADMM Cc1ccc2nc(Cn3ccnc3-c3nn[n-]n3)cn2c1 ZINC000826295427 608890498 /nfs/dbraw/zinc/89/04/98/608890498.db2.gz GZHRXXXRNWEMMB-UHFFFAOYSA-N -1 1 280.295 1.068 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H]1F ZINC000824947794 609400484 /nfs/dbraw/zinc/40/04/84/609400484.db2.gz RAPGJSYAGYLCHQ-PSASIEDQSA-N -1 1 290.302 1.082 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H]1F ZINC000824947794 609400485 /nfs/dbraw/zinc/40/04/85/609400485.db2.gz RAPGJSYAGYLCHQ-PSASIEDQSA-N -1 1 290.302 1.082 20 0 CDADMM c1cn(C[C@H]2CCc3ccccc32)c(-c2nnn[n-]2)n1 ZINC000826523310 609517728 /nfs/dbraw/zinc/51/77/28/609517728.db2.gz IKAYWZXQYKKGKG-LLVKDONJSA-N -1 1 266.308 1.793 20 0 CDADMM c1cn(C[C@H]2CCc3ccccc32)c(-c2nn[n-]n2)n1 ZINC000826523310 609517730 /nfs/dbraw/zinc/51/77/30/609517730.db2.gz IKAYWZXQYKKGKG-LLVKDONJSA-N -1 1 266.308 1.793 20 0 CDADMM c1cc(NCC[C@@H]2CCOC2)nc(-c2nnn[n-]2)c1 ZINC000826516886 609604124 /nfs/dbraw/zinc/60/41/24/609604124.db2.gz GPEBOVUDXFAZRM-SECBINFHSA-N -1 1 260.301 1.100 20 0 CDADMM c1cc(NCC[C@@H]2CCOC2)nc(-c2nn[n-]n2)c1 ZINC000826516886 609604125 /nfs/dbraw/zinc/60/41/25/609604125.db2.gz GPEBOVUDXFAZRM-SECBINFHSA-N -1 1 260.301 1.100 20 0 CDADMM CC(C)C(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000982454581 614387331 /nfs/dbraw/zinc/38/73/31/614387331.db2.gz BJNNJHMAIRMOOH-LLVKDONJSA-N -1 1 291.351 1.022 20 0 CDADMM CCC(=O)N1CCC[C@@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000983723555 614559684 /nfs/dbraw/zinc/55/96/84/614559684.db2.gz YWLJEYGRMZIUIC-LLVKDONJSA-N -1 1 291.351 1.260 20 0 CDADMM O=C(C[C@H]1CCOC1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891617896 617506632 /nfs/dbraw/zinc/50/66/32/617506632.db2.gz LNBKXEJUCYBKIK-SECBINFHSA-N -1 1 277.324 1.426 20 0 CDADMM O=C(C=C[C@@H]1CCCO1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891615837 617506925 /nfs/dbraw/zinc/50/69/25/617506925.db2.gz VJJSRJVEDXSAET-DMEOUFDRSA-N -1 1 289.335 1.735 20 0 CDADMM CCC(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000964638219 614871765 /nfs/dbraw/zinc/87/17/65/614871765.db2.gz BGXWUDUZYMDJRF-LLVKDONJSA-N -1 1 291.351 1.308 20 0 CDADMM COCc1nc(N2CCSC[C@H]2C)cc(=O)[n-]1 ZINC000892622881 617540893 /nfs/dbraw/zinc/54/08/93/617540893.db2.gz TZKZYKVKQXZOLX-MRVPVSSYSA-N -1 1 255.343 1.270 20 0 CDADMM CC[C@@H](Nc1cc(=O)[n-]c(COC)n1)C1CCOCC1 ZINC000892764543 617715867 /nfs/dbraw/zinc/71/58/67/617715867.db2.gz ITODNBXFQJTCJU-LLVKDONJSA-N -1 1 281.356 1.946 20 0 CDADMM CC(C)[C@@H](NCC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000222740573 617744032 /nfs/dbraw/zinc/74/40/32/617744032.db2.gz UMUPOWKSGMAZOA-NTZNESFSSA-N -1 1 270.373 1.475 20 0 CDADMM CC(C)OC(=O)c1cc(NC(=O)C2(C(F)F)CC2)n[nH]1 ZINC000888118998 620749956 /nfs/dbraw/zinc/74/99/56/620749956.db2.gz PPUAXEFMMOOWMO-UHFFFAOYSA-N -1 1 287.266 1.959 20 0 CDADMM CO[C@H]1CC[C@H]1N(C)C(=O)c1c(C)[n-]c(=O)nc1SC ZINC000889342802 617847482 /nfs/dbraw/zinc/84/74/82/617847482.db2.gz PVBXELGDMFJAEJ-BDAKNGLRSA-N -1 1 297.380 1.462 20 0 CDADMM CCOC1CC(CCNc2cc(=O)[n-]c(COC)n2)C1 ZINC000893433875 617879220 /nfs/dbraw/zinc/87/92/20/617879220.db2.gz DQKDZPWXMGAWST-UHFFFAOYSA-N -1 1 281.356 1.946 20 0 CDADMM COCc1nc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)cc(=O)[n-]1 ZINC000892921131 617896949 /nfs/dbraw/zinc/89/69/49/617896949.db2.gz VEYQCPDEOWVPHA-GMTAPVOTSA-N -1 1 279.340 1.698 20 0 CDADMM CN(C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1nn[n-]n1 ZINC000892954085 617975804 /nfs/dbraw/zinc/97/58/04/617975804.db2.gz CGUQONXIOLIZSS-OUAUKWLOSA-N -1 1 263.345 1.769 20 0 CDADMM Cc1ccc(C[C@H](C)C(=O)N(C)c2nn[n-]n2)cc1 ZINC000892955109 617977206 /nfs/dbraw/zinc/97/72/06/617977206.db2.gz WNJTYOWTCKNVOP-JTQLQIEISA-N -1 1 259.313 1.350 20 0 CDADMM COCc1nc(NCc2cc(C)ncn2)cc(=O)[n-]1 ZINC000892991045 618029940 /nfs/dbraw/zinc/02/99/40/618029940.db2.gz IAKNZVZVMILBHI-UHFFFAOYSA-N -1 1 261.285 1.039 20 0 CDADMM CO[C@H]1COCC[C@H]1N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000893831324 618064295 /nfs/dbraw/zinc/06/42/95/618064295.db2.gz BPMRLLDLIVHMJW-YPMHNXCESA-N -1 1 299.754 1.922 20 0 CDADMM CC1CCC(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000909401070 618084151 /nfs/dbraw/zinc/08/41/51/618084151.db2.gz MALMLHGSJJNSKR-JXQTWKCFSA-N -1 1 296.411 1.726 20 0 CDADMM O=C(NCc1ncc2c(n1)CCC2)c1ccc([O-])cc1F 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Cc1cc(NCC[C@H]2CCCCO2)nc(-c2nn[n-]n2)c1 ZINC001605729802 1163653331 /nfs/dbraw/zinc/65/33/31/1163653331.db2.gz LHQOADHMCSPYQR-LLVKDONJSA-N -1 1 288.355 1.941 20 0 CDADMM Cc1cc(NC[C@H]2CC[C@@H](O)C2)cc(-c2nnn[n-]2)n1 ZINC001605729396 1163654465 /nfs/dbraw/zinc/65/44/65/1163654465.db2.gz CQWVMTTTYFBYFR-GXSJLCMTSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cc(NC[C@H]2CC[C@@H](O)C2)cc(-c2nn[n-]n2)n1 ZINC001605729396 1163654469 /nfs/dbraw/zinc/65/44/69/1163654469.db2.gz CQWVMTTTYFBYFR-GXSJLCMTSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCO[C@@H](C(F)F)C1 ZINC001605803170 1163677015 /nfs/dbraw/zinc/67/70/15/1163677015.db2.gz YUNNJOJJZBBVGL-SECBINFHSA-N -1 1 296.281 1.040 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCO[C@@H](C(F)F)C1 ZINC001605803170 1163677020 /nfs/dbraw/zinc/67/70/20/1163677020.db2.gz YUNNJOJJZBBVGL-SECBINFHSA-N -1 1 296.281 1.040 20 0 CDADMM Cc1ccc(NC[C@@H]2CCCCO2)nc1-c1nnn[n-]1 ZINC001605873163 1163700855 /nfs/dbraw/zinc/70/08/55/1163700855.db2.gz 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/nfs/dbraw/zinc/70/68/76/1163706876.db2.gz JZIAVWRJJAPEBU-UHFFFAOYSA-N -1 1 279.307 1.659 20 0 CDADMM Cc1ccncc1CCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001605962003 1163729346 /nfs/dbraw/zinc/72/93/46/1163729346.db2.gz YFXFQLDQKSOCQF-UHFFFAOYSA-N -1 1 298.306 1.136 20 0 CDADMM Cc1ccncc1CCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001605962003 1163729351 /nfs/dbraw/zinc/72/93/51/1163729351.db2.gz YFXFQLDQKSOCQF-UHFFFAOYSA-N -1 1 298.306 1.136 20 0 CDADMM Cc1nsc(N[C@H](C)[C@H](C)CO)c1-c1nn[n-]n1 ZINC001606150505 1163788896 /nfs/dbraw/zinc/78/88/96/1163788896.db2.gz DENZRHROWPQTMD-PHDIDXHHSA-N -1 1 268.346 1.060 20 0 CDADMM CN(Cc1ccc(/C=C/C(=O)[O-])o1)C1(CO)CC1 ZINC001606157140 1163790733 /nfs/dbraw/zinc/79/07/33/1163790733.db2.gz CDORWNHSAGCDKO-SNAWJCMRSA-N -1 1 251.282 1.334 20 0 CDADMM CN1c2ccccc2CN(CC2(C(=O)[O-])CC2)CC1=O ZINC001606189883 1163803356 /nfs/dbraw/zinc/80/33/56/1163803356.db2.gz VIVHIFXFAZCVJS-UHFFFAOYSA-N -1 1 274.320 1.330 20 0 CDADMM FC(F)(F)[C@@H]1C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001606290436 1163837671 /nfs/dbraw/zinc/83/76/71/1163837671.db2.gz AUOXDWDKZCANJR-RFZPGFLSSA-N -1 1 271.206 1.019 20 0 CDADMM FC(F)(F)[C@@H]1C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001606290436 1163837675 /nfs/dbraw/zinc/83/76/75/1163837675.db2.gz AUOXDWDKZCANJR-RFZPGFLSSA-N -1 1 271.206 1.019 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H](F)c1ccccc1 ZINC001606892518 1164024157 /nfs/dbraw/zinc/02/41/57/1164024157.db2.gz NGVRGXKBKZNTDQ-SECBINFHSA-N -1 1 287.258 1.239 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H](F)c1ccccc1 ZINC001606892518 1164024162 /nfs/dbraw/zinc/02/41/62/1164024162.db2.gz NGVRGXKBKZNTDQ-SECBINFHSA-N -1 1 287.258 1.239 20 0 CDADMM COCc1cc(CN[C@@H]2CC[C@H](C(=O)[O-])C2)no1 ZINC001606941435 1164034752 /nfs/dbraw/zinc/03/47/52/1164034752.db2.gz FAUDBMPKDDHBEK-DTWKUNHWSA-N -1 1 254.286 1.164 20 0 CDADMM O=C(OC1CCCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001606962742 1164039825 /nfs/dbraw/zinc/03/98/25/1164039825.db2.gz IRVFIDLPWJCIRZ-UHFFFAOYSA-N -1 1 259.269 1.361 20 0 CDADMM O=C(OC1CCCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001606962742 1164039830 /nfs/dbraw/zinc/03/98/30/1164039830.db2.gz IRVFIDLPWJCIRZ-UHFFFAOYSA-N -1 1 259.269 1.361 20 0 CDADMM CO[C@H]1CCCC[C@@H]1NCC(=O)c1cc(C(=O)[O-])[nH]c1C ZINC001607005293 1164056700 /nfs/dbraw/zinc/05/67/00/1164056700.db2.gz GLRGRBPEEYVTBD-FZMZJTMJSA-N -1 1 294.351 1.751 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1cccc(Cl)c1 ZINC001607091442 1164076261 /nfs/dbraw/zinc/07/62/61/1164076261.db2.gz NUDHJIULGACZPP-UHFFFAOYSA-N -1 1 287.710 1.730 20 0 CDADMM c1c(-c2nn[n-]n2)nnn1Cc1cccc2ccccc21 ZINC001607131421 1164110034 /nfs/dbraw/zinc/11/00/34/1164110034.db2.gz CYZDKOIETNJRSG-UHFFFAOYSA-N -1 1 277.291 1.660 20 0 CDADMM c1ccc([C@@H]2C[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001607131054 1164110465 /nfs/dbraw/zinc/11/04/65/1164110465.db2.gz MUORAXFZBGJODV-RYUDHWBXSA-N -1 1 293.334 1.872 20 0 CDADMM c1ccc([C@@H]2C[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001607131054 1164110471 /nfs/dbraw/zinc/11/04/71/1164110471.db2.gz MUORAXFZBGJODV-RYUDHWBXSA-N -1 1 293.334 1.872 20 0 CDADMM c1nc(N[C@@H]2CCC[C@@H]3C[C@@H]32)cc(-c2nnn[n-]2)n1 ZINC001607137257 1164115837 /nfs/dbraw/zinc/11/58/37/1164115837.db2.gz NPQMMVJKHIGSDQ-HRDYMLBCSA-N -1 1 257.301 1.257 20 0 CDADMM c1nc(N[C@@H]2CCC[C@@H]3C[C@@H]32)cc(-c2nn[n-]n2)n1 ZINC001607137257 1164115840 /nfs/dbraw/zinc/11/58/40/1164115840.db2.gz NPQMMVJKHIGSDQ-HRDYMLBCSA-N -1 1 257.301 1.257 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NC[C@H]1CC2CCC1CC2 ZINC001607138493 1164117898 /nfs/dbraw/zinc/11/78/98/1164117898.db2.gz GRHNAOQFAJKIQJ-VQXHTEKXSA-N -1 1 285.355 1.895 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NC[C@H]1CC2CCC1CC2 ZINC001607138493 1164117904 /nfs/dbraw/zinc/11/79/04/1164117904.db2.gz GRHNAOQFAJKIQJ-VQXHTEKXSA-N -1 1 285.355 1.895 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(N2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC001607138800 1164120417 /nfs/dbraw/zinc/12/04/17/1164120417.db2.gz KTTTZRYAOAQHAZ-QWRGUYRKSA-N -1 1 285.355 1.673 20 0 CDADMM COc1ccc(CN2CCC([C@@H](O)C(=O)[O-])CC2)c(F)c1 ZINC001607253044 1164136439 /nfs/dbraw/zinc/13/64/39/1164136439.db2.gz JKXXZBDKKMOFJN-CQSZACIVSA-N -1 1 297.326 1.492 20 0 CDADMM C[C@H]1CN(Cc2nn(C)cc2Cl)C[C@]1(C)C(=O)[O-] ZINC001607477952 1164196808 /nfs/dbraw/zinc/19/68/08/1164196808.db2.gz BALBZYFMQMOOHE-UFBFGSQYSA-N -1 1 271.748 1.616 20 0 CDADMM Cc1c(C(=O)NC2CC(CC(=O)[O-])C2)ccc2cncn21 ZINC001607508470 1164212308 /nfs/dbraw/zinc/21/23/08/1164212308.db2.gz UHDGKUXSDYIWOP-UHFFFAOYSA-N -1 1 287.319 1.626 20 0 CDADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)ccn1 ZINC001607571603 1164228788 /nfs/dbraw/zinc/22/87/88/1164228788.db2.gz HJDWVTUSOZYATD-GFCCVEGCSA-N -1 1 291.351 1.011 20 0 CDADMM Cc1cc(=O)[nH]c([C@H](C)N2CCSC[C@H](C(=O)[O-])C2)n1 ZINC001607700265 1164274960 /nfs/dbraw/zinc/27/49/60/1164274960.db2.gz YSGKNVKTFMKWHR-VHSXEESVSA-N -1 1 297.380 1.301 20 0 CDADMM Cc1cc(=O)[n-]c([C@H](C)[N@@H+]2CCSC[C@H](C(=O)[O-])C2)n1 ZINC001607700265 1164274962 /nfs/dbraw/zinc/27/49/62/1164274962.db2.gz YSGKNVKTFMKWHR-VHSXEESVSA-N -1 1 297.380 1.301 20 0 CDADMM Cc1cc(=O)[n-]c([C@H](C)[N@H+]2CCSC[C@H](C(=O)[O-])C2)n1 ZINC001607700265 1164274967 /nfs/dbraw/zinc/27/49/67/1164274967.db2.gz YSGKNVKTFMKWHR-VHSXEESVSA-N -1 1 297.380 1.301 20 0 CDADMM COc1cc(C(=O)N2CC(=O)C2)cc(Cl)c1[O-] ZINC001191142978 1164381270 /nfs/dbraw/zinc/38/12/70/1164381270.db2.gz BRNSBBVMNPQSOC-UHFFFAOYSA-N -1 1 255.657 1.079 20 0 CDADMM Cc1oc(CNCc2n[nH]c(C(C)C)n2)cc1C(=O)[O-] ZINC001608050738 1164394220 /nfs/dbraw/zinc/39/42/20/1164394220.db2.gz IRTNAPFXRXPZRT-UHFFFAOYSA-N -1 1 278.312 1.818 20 0 CDADMM O=C([O-])Cc1ccccc1CN1CCC[C@H]1c1nnc[nH]1 ZINC001608788532 1164636739 /nfs/dbraw/zinc/63/67/39/1164636739.db2.gz STAHWFWOGPEQOX-ZDUSSCGKSA-N -1 1 286.335 1.769 20 0 CDADMM O=C([O-])c1cc(CN2CC[C@@H](c3ccncc3)C2)on1 ZINC001608841741 1164659094 /nfs/dbraw/zinc/65/90/94/1164659094.db2.gz GQZMGGGBASYSPS-LLVKDONJSA-N -1 1 273.292 1.757 20 0 CDADMM O=C([O-])[C@@]1(F)CCN(C(=O)c2ccc(Cl)c(O)c2)C1 ZINC001609028246 1164733924 /nfs/dbraw/zinc/73/39/24/1164733924.db2.gz IMHSZWWAKGGAMQ-GFCCVEGCSA-N -1 1 287.674 1.684 20 0 CDADMM CC(F)(F)CCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001609116750 1164781220 /nfs/dbraw/zinc/78/12/20/1164781220.db2.gz ZEAUKSFNCXGDFE-UHFFFAOYSA-N -1 1 282.254 1.037 20 0 CDADMM CC(F)(F)CCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001609116750 1164781225 /nfs/dbraw/zinc/78/12/25/1164781225.db2.gz ZEAUKSFNCXGDFE-UHFFFAOYSA-N -1 1 282.254 1.037 20 0 CDADMM CCC1(COC(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001609198015 1164839395 /nfs/dbraw/zinc/83/93/95/1164839395.db2.gz GSGNHRCOOAFSAC-UHFFFAOYSA-N -1 1 262.269 1.807 20 0 CDADMM CCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001609200779 1164841936 /nfs/dbraw/zinc/84/19/36/1164841936.db2.gz HRMOHZPWKIHTIU-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001609200779 1164841943 /nfs/dbraw/zinc/84/19/43/1164841943.db2.gz HRMOHZPWKIHTIU-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CCc1nc(C)cc(Oc2cccnc2-c2nnn[n-]2)n1 ZINC001609254720 1164867093 /nfs/dbraw/zinc/86/70/93/1164867093.db2.gz XFDOYLXYUAYTBD-UHFFFAOYSA-N -1 1 283.295 1.715 20 0 CDADMM CCc1nc(C)cc(Oc2cccnc2-c2nn[n-]n2)n1 ZINC001609254720 1164867097 /nfs/dbraw/zinc/86/70/97/1164867097.db2.gz XFDOYLXYUAYTBD-UHFFFAOYSA-N -1 1 283.295 1.715 20 0 CDADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CC2CCCC2)c1 ZINC001609386919 1164916523 /nfs/dbraw/zinc/91/65/23/1164916523.db2.gz ZWDPUFLYFNTHMB-UHFFFAOYSA-N -1 1 259.313 1.527 20 0 CDADMM Cc1ccc(COC(=O)c2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001609424470 1164940526 /nfs/dbraw/zinc/94/05/26/1164940526.db2.gz MSQPGHOKCKFKQI-UHFFFAOYSA-N -1 1 295.302 1.927 20 0 CDADMM Cc1ccc(COC(=O)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001609424470 1164940534 /nfs/dbraw/zinc/94/05/34/1164940534.db2.gz MSQPGHOKCKFKQI-UHFFFAOYSA-N -1 1 295.302 1.927 20 0 CDADMM Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)o2)cc1 ZINC001609423860 1164941107 /nfs/dbraw/zinc/94/11/07/1164941107.db2.gz WEGYKHBHHDAJSD-UHFFFAOYSA-N -1 1 283.291 1.698 20 0 CDADMM Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001609423860 1164941110 /nfs/dbraw/zinc/94/11/10/1164941110.db2.gz WEGYKHBHHDAJSD-UHFFFAOYSA-N -1 1 283.291 1.698 20 0 CDADMM Cc1ccc(NCC[C@@H]2CCCCO2)nc1-c1nnn[n-]1 ZINC001609426403 1164942596 /nfs/dbraw/zinc/94/25/96/1164942596.db2.gz RHIJQFATOZOYBK-NSHDSACASA-N -1 1 288.355 1.941 20 0 CDADMM Cc1ccc(NCC[C@@H]2CCCCO2)nc1-c1nn[n-]n1 ZINC001609426403 1164942601 /nfs/dbraw/zinc/94/26/01/1164942601.db2.gz RHIJQFATOZOYBK-NSHDSACASA-N -1 1 288.355 1.941 20 0 CDADMM Clc1nc(N2CC[C@H]3C[C@H]32)sc1-c1nn[n-]n1 ZINC001609474747 1164967977 /nfs/dbraw/zinc/96/79/77/1164967977.db2.gz QPIRAFXQJUOART-CRCLSJGQSA-N -1 1 268.733 1.575 20 0 CDADMM Clc1nc(N2CC[C@H]3C[C@H]32)sc1-c1nnn[n-]1 ZINC001609474747 1164967973 /nfs/dbraw/zinc/96/79/73/1164967973.db2.gz QPIRAFXQJUOART-CRCLSJGQSA-N -1 1 268.733 1.575 20 0 CDADMM FC(F)O[C@@H]1CCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001609486129 1164970911 /nfs/dbraw/zinc/97/09/11/1164970911.db2.gz IJTQALJZQZNNFS-MRVPVSSYSA-N -1 1 296.281 1.470 20 0 CDADMM FC(F)O[C@@H]1CCCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001609486129 1164970915 /nfs/dbraw/zinc/97/09/15/1164970915.db2.gz IJTQALJZQZNNFS-MRVPVSSYSA-N -1 1 296.281 1.470 20 0 CDADMM O=C(OCc1ccncc1)c1cccc(F)c1-c1nnn[n-]1 ZINC001609577992 1164996993 /nfs/dbraw/zinc/99/69/93/1164996993.db2.gz YIXQHGWIDAHZJP-UHFFFAOYSA-N -1 1 299.265 1.758 20 0 CDADMM O=C(OCc1ccncc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001609577992 1164996997 /nfs/dbraw/zinc/99/69/97/1164996997.db2.gz YIXQHGWIDAHZJP-UHFFFAOYSA-N -1 1 299.265 1.758 20 0 CDADMM OC[C@@H]1CCC[C@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001609609207 1165003280 /nfs/dbraw/zinc/00/32/80/1165003280.db2.gz HBXOUNPKJSFLQY-ZJUUUORDSA-N -1 1 274.328 1.225 20 0 CDADMM OC[C@@H]1CCC[C@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001609609207 1165003282 /nfs/dbraw/zinc/00/32/82/1165003282.db2.gz HBXOUNPKJSFLQY-ZJUUUORDSA-N -1 1 274.328 1.225 20 0 CDADMM c1nc(N2C[C@@H]3CCCC[C@H]3C2)cnc1-c1nnn[n-]1 ZINC001609620863 1165017314 /nfs/dbraw/zinc/01/73/14/1165017314.db2.gz HFKRZPZUXKCQGS-UWVGGRQHSA-N -1 1 271.328 1.283 20 0 CDADMM c1nc(N2C[C@@H]3CCCC[C@H]3C2)cnc1-c1nn[n-]n1 ZINC001609620863 1165017321 /nfs/dbraw/zinc/01/73/21/1165017321.db2.gz HFKRZPZUXKCQGS-UWVGGRQHSA-N -1 1 271.328 1.283 20 0 CDADMM C[C@@H](N[C@@H](C(=O)[O-])C1CC1)C(=O)NCCC1=CCCCC1 ZINC001609773659 1165075076 /nfs/dbraw/zinc/07/50/76/1165075076.db2.gz HPAANILYGAUMKE-BXUZGUMPSA-N -1 1 294.395 1.834 20 0 CDADMM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2cnc(C3CC3)[nH]2)C1 ZINC001609809849 1165090162 /nfs/dbraw/zinc/09/01/62/1165090162.db2.gz IUUPLTLPGSSVJI-CQSZACIVSA-N -1 1 277.324 1.614 20 0 CDADMM Cc1[nH]ncc1C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001610404341 1165308678 /nfs/dbraw/zinc/30/86/78/1165308678.db2.gz AYHPGOGGNDIRHU-UHFFFAOYSA-N -1 1 285.263 1.545 20 0 CDADMM Cc1n[nH]cc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001610404341 1165308683 /nfs/dbraw/zinc/30/86/83/1165308683.db2.gz AYHPGOGGNDIRHU-UHFFFAOYSA-N -1 1 285.263 1.545 20 0 CDADMM Cc1csc(CN2CCSC[C@H](C(=O)[O-])C2)n1 ZINC001610546101 1165349539 /nfs/dbraw/zinc/34/95/39/1165349539.db2.gz JLFVMJOEAGJNGU-SECBINFHSA-N -1 1 272.395 1.701 20 0 CDADMM Cc1ncc(CN2[C@@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)cn1 ZINC001610562652 1165356297 /nfs/dbraw/zinc/35/62/97/1165356297.db2.gz IGFHTDVAKZZXDF-WBMYTEFPSA-N -1 1 291.351 1.380 20 0 CDADMM Cc1nc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])ccn2)n[nH]1 ZINC001610573218 1165361459 /nfs/dbraw/zinc/36/14/59/1165361459.db2.gz PQYZSQOWMFIWOD-LURJTMIESA-N -1 1 290.283 1.089 20 0 CDADMM O=C([O-])C1(CN2CCO[C@H](COc3ccccc3)C2)CC1 ZINC001610726585 1165417620 /nfs/dbraw/zinc/41/76/20/1165417620.db2.gz XIDRKILDWRPGII-AWEZNQCLSA-N -1 1 291.347 1.631 20 0 CDADMM COC1(C(=O)Nc2c[n-][nH]c2=O)CCCCCC1 ZINC001611379965 1165491256 /nfs/dbraw/zinc/49/12/56/1165491256.db2.gz NNZMMQRBXBYNHT-UHFFFAOYSA-N -1 1 253.302 1.793 20 0 CDADMM O=C(CCCc1nn[n-]n1)N1CCCc2cc(F)ccc21 ZINC000874082003 1165605535 /nfs/dbraw/zinc/60/55/35/1165605535.db2.gz OXIQGMLIZGXVAO-UHFFFAOYSA-N -1 1 289.314 1.641 20 0 CDADMM Cc1c[nH]nc1C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001617743569 1165606445 /nfs/dbraw/zinc/60/64/45/1165606445.db2.gz HXENRFVPJMAVKY-UHFFFAOYSA-N -1 1 299.294 1.063 20 0 CDADMM O=C([N-]c1n[nH]c(-c2ccccn2)n1)c1cnc(C2CC2)o1 ZINC001625346723 1165901023 /nfs/dbraw/zinc/90/10/23/1165901023.db2.gz HCCUYKWWJLHERX-UHFFFAOYSA-N -1 1 296.290 1.984 20 0 CDADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)C1CCC1 ZINC000095175737 1166604486 /nfs/dbraw/zinc/60/44/86/1166604486.db2.gz WRFLTIIKPYAOKD-UHFFFAOYSA-N -1 1 273.296 1.517 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1coc(-c2cccnc2)n1 ZINC001637958604 1166806084 /nfs/dbraw/zinc/80/60/84/1166806084.db2.gz YHPPXOQLZOECSF-UHFFFAOYSA-N -1 1 285.263 1.726 20 0 CDADMM CO[C@@H]1CCN(C(=O)c2[n-][nH]c3cc(=O)ccc2-3)[C@H](C)C1 ZINC001155272544 1167112306 /nfs/dbraw/zinc/11/23/06/1167112306.db2.gz XOQFTFXNLJHZDK-MWLCHTKSSA-N -1 1 289.335 1.908 20 0 CDADMM O=C(c1ccc([O-])cn1)N1Cc2ccc(O)cc2C1 ZINC001641771625 1167134912 /nfs/dbraw/zinc/13/49/12/1167134912.db2.gz AZYSYTGLZAWTIH-UHFFFAOYSA-N -1 1 256.261 1.649 20 0 CDADMM COc1c[nH]nc1NC(=O)c1c(F)ccc([O-])c1F ZINC001644196802 1167299383 /nfs/dbraw/zinc/29/93/83/1167299383.db2.gz DWVDHIOUYGKEGA-UHFFFAOYSA-N -1 1 269.207 1.654 20 0 CDADMM C[C@@H](NC(=O)c1ccc([O-])cn1)c1nnc2ccccn21 ZINC001540735209 1167922528 /nfs/dbraw/zinc/92/25/28/1167922528.db2.gz LJRVMZUITBOVAT-SECBINFHSA-N -1 1 283.291 1.321 20 0 CDADMM O=C([O-])[C@]1(F)CCN(Cc2ccc(-n3cncn3)cc2)C1 ZINC001647410676 1168656926 /nfs/dbraw/zinc/65/69/26/1168656926.db2.gz WCVWDVFRABVLEM-AWEZNQCLSA-N -1 1 290.298 1.266 20 0 CDADMM Cc1cc(CCC(=O)N[C@@H](CC(=O)[O-])C(F)(F)F)n[nH]1 ZINC001574136281 1170894567 /nfs/dbraw/zinc/89/45/67/1170894567.db2.gz ZJJQGCAPVTWUOE-QMMMGPOBSA-N -1 1 293.245 1.173 20 0 CDADMM Cc1cnc([C@H](C)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)o1 ZINC001574173354 1170904698 /nfs/dbraw/zinc/90/46/98/1170904698.db2.gz RXNSHBCIJUBKDL-ZRUFSTJUSA-N -1 1 250.298 1.697 20 0 CDADMM Cn1cc(Cl)c(CN[C@H](C[C@H]2CCCO2)C(=O)[O-])n1 ZINC001574213604 1170922327 /nfs/dbraw/zinc/92/23/27/1170922327.db2.gz NLEGDVIOOFVKKI-PSASIEDQSA-N -1 1 287.747 1.185 20 0 CDADMM Cn1cncc1C1CCN(Cc2cc(C(=O)[O-])no2)CC1 ZINC001574221689 1170923669 /nfs/dbraw/zinc/92/36/69/1170923669.db2.gz WAXCESVLHJSRIF-UHFFFAOYSA-N -1 1 290.323 1.486 20 0 CDADMM N[C@H](C(=O)[N-]OCCOc1ccccc1)c1ccccc1 ZINC001574262918 1170931014 /nfs/dbraw/zinc/93/10/14/1170931014.db2.gz SENDNVOPJIKDEE-HNNXBMFYSA-N -1 1 286.331 1.813 20 0 CDADMM O=C([O-])CCN(CC(=O)OCc1ccccc1)CC1CC1 ZINC001574361381 1170958056 /nfs/dbraw/zinc/95/80/56/1170958056.db2.gz GBFNDUMMXANVDO-UHFFFAOYSA-N -1 1 291.347 1.917 20 0 CDADMM O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1Cc1ncnn1-c1ccccc1 ZINC001574403871 1170973163 /nfs/dbraw/zinc/97/31/63/1170973163.db2.gz YCEWGHRVKKLYGJ-LNSITVRQSA-N -1 1 298.346 1.705 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)[C@@H]1CCC(=O)c2cccn21 ZINC001654603353 1171624438 /nfs/dbraw/zinc/62/44/38/1171624438.db2.gz KPXVLUUXIQQXGG-VIFPVBQESA-N -1 1 260.253 1.073 20 0 CDADMM CC[C@@H]1CC[C@H](C)N(c2cc(-c3nnn[n-]3)nc(C)n2)C1 ZINC001578428066 1171908341 /nfs/dbraw/zinc/90/83/41/1171908341.db2.gz ULZPKZNXFIOXSN-GXSJLCMTSA-N -1 1 287.371 1.980 20 0 CDADMM CC[C@@H]1CC[C@H](C)N(c2cc(-c3nn[n-]n3)nc(C)n2)C1 ZINC001578428066 1171908347 /nfs/dbraw/zinc/90/83/47/1171908347.db2.gz ULZPKZNXFIOXSN-GXSJLCMTSA-N -1 1 287.371 1.980 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1cnsc1 ZINC001581727295 1172619129 /nfs/dbraw/zinc/61/91/29/1172619129.db2.gz QWOQNFQXEZSJAY-UHFFFAOYSA-N -1 1 291.292 1.582 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1cnsc1 ZINC001581727295 1172619132 /nfs/dbraw/zinc/61/91/32/1172619132.db2.gz QWOQNFQXEZSJAY-UHFFFAOYSA-N -1 1 291.292 1.582 20 0 CDADMM Cc1sccc1CC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001581744816 1172619619 /nfs/dbraw/zinc/61/96/19/1172619619.db2.gz IKNTUORJNXVTJX-UHFFFAOYSA-N -1 1 289.324 1.141 20 0 CDADMM Cc1sccc1CC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001581744816 1172619624 /nfs/dbraw/zinc/61/96/24/1172619624.db2.gz IKNTUORJNXVTJX-UHFFFAOYSA-N -1 1 289.324 1.141 20 0 CDADMM O=C(Oc1ccc2c(c1)CCO2)c1coc(-c2nnn[n-]2)c1 ZINC001582657187 1172687326 /nfs/dbraw/zinc/68/73/26/1172687326.db2.gz FZTRGXVXAIVJMC-UHFFFAOYSA-N -1 1 298.258 1.614 20 0 CDADMM O=C(Oc1ccc2c(c1)CCO2)c1coc(-c2nn[n-]n2)c1 ZINC001582657187 1172687328 /nfs/dbraw/zinc/68/73/28/1172687328.db2.gz FZTRGXVXAIVJMC-UHFFFAOYSA-N -1 1 298.258 1.614 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCC2=CCOCC2)c1 ZINC001588384558 1173056760 /nfs/dbraw/zinc/05/67/60/1173056760.db2.gz WPRHLVIKNLVCNE-UHFFFAOYSA-N -1 1 258.285 1.020 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCC2=CCOCC2)c1 ZINC001588384558 1173056767 /nfs/dbraw/zinc/05/67/67/1173056767.db2.gz WPRHLVIKNLVCNE-UHFFFAOYSA-N -1 1 258.285 1.020 20 0 CDADMM CC(=O)c1ccc(Oc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001588917175 1173113490 /nfs/dbraw/zinc/11/34/90/1173113490.db2.gz GRPGJBZTHRESGK-UHFFFAOYSA-N -1 1 282.263 1.652 20 0 CDADMM CC(=O)c1ccc(Oc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001588917175 1173113496 /nfs/dbraw/zinc/11/34/96/1173113496.db2.gz GRPGJBZTHRESGK-UHFFFAOYSA-N -1 1 282.263 1.652 20 0 CDADMM CC(C)(CNc1cncc(-c2nnn[n-]2)n1)c1ccccn1 ZINC001589292705 1173134657 /nfs/dbraw/zinc/13/46/57/1173134657.db2.gz QUWFBFMDUMOFPV-UHFFFAOYSA-N -1 1 296.338 1.441 20 0 CDADMM CC(C)(CNc1cncc(-c2nn[n-]n2)n1)c1ccccn1 ZINC001589292705 1173134672 /nfs/dbraw/zinc/13/46/72/1173134672.db2.gz QUWFBFMDUMOFPV-UHFFFAOYSA-N -1 1 296.338 1.441 20 0 CDADMM CC(C)(F)CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001589312845 1173136506 /nfs/dbraw/zinc/13/65/06/1173136506.db2.gz VQKIUFWMMHBYPR-UHFFFAOYSA-N -1 1 281.266 1.484 20 0 CDADMM CC(C)(F)CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001589312845 1173136508 /nfs/dbraw/zinc/13/65/08/1173136508.db2.gz VQKIUFWMMHBYPR-UHFFFAOYSA-N -1 1 281.266 1.484 20 0 CDADMM CC(C)CCn1ccc(Nc2ncncc2-c2nn[n-]n2)n1 ZINC001589613591 1173163658 /nfs/dbraw/zinc/16/36/58/1173163658.db2.gz JCNFEGDWNKZJEN-UHFFFAOYSA-N -1 1 299.342 1.643 20 0 CDADMM C[C@@H](C[C@H]1CCOC1)Nc1cccnc1-c1nnn[n-]1 ZINC001589802018 1173185281 /nfs/dbraw/zinc/18/52/81/1173185281.db2.gz GTNGVMGUCXFGGW-VHSXEESVSA-N -1 1 274.328 1.489 20 0 CDADMM C[C@@H](C[C@H]1CCOC1)Nc1cccnc1-c1nn[n-]n1 ZINC001589802018 1173185284 /nfs/dbraw/zinc/18/52/84/1173185284.db2.gz GTNGVMGUCXFGGW-VHSXEESVSA-N -1 1 274.328 1.489 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)[C@H]1CCCOC1 ZINC001589944888 1173205911 /nfs/dbraw/zinc/20/59/11/1173205911.db2.gz YMBZFYNWBOBCEI-IUCAKERBSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)[C@H]1CCCOC1 ZINC001589944888 1173205917 /nfs/dbraw/zinc/20/59/17/1173205917.db2.gz YMBZFYNWBOBCEI-IUCAKERBSA-N -1 1 291.311 1.005 20 0 CDADMM CC1(C)CC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590092738 1173255263 /nfs/dbraw/zinc/25/52/63/1173255263.db2.gz LVSAZGBUAGSOBP-JTQLQIEISA-N -1 1 272.312 1.180 20 0 CDADMM CC1(C)CC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590092738 1173255267 /nfs/dbraw/zinc/25/52/67/1173255267.db2.gz LVSAZGBUAGSOBP-JTQLQIEISA-N -1 1 272.312 1.180 20 0 CDADMM CC1(C)CCN1C(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001590099983 1173257443 /nfs/dbraw/zinc/25/74/43/1173257443.db2.gz NLIQOVYMMWYXGA-UHFFFAOYSA-N -1 1 296.334 1.973 20 0 CDADMM CC1(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)CCC1 ZINC001590131841 1173267260 /nfs/dbraw/zinc/26/72/60/1173267260.db2.gz HZRUOJHRMXDVKM-UHFFFAOYSA-N -1 1 289.314 1.926 20 0 CDADMM CC1(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)CCC1 ZINC001590131841 1173267265 /nfs/dbraw/zinc/26/72/65/1173267265.db2.gz HZRUOJHRMXDVKM-UHFFFAOYSA-N -1 1 289.314 1.926 20 0 CDADMM C[C@]1(CNc2ccnc(-c3nnn[n-]3)c2)CCCCO1 ZINC001590136105 1173270601 /nfs/dbraw/zinc/27/06/01/1173270601.db2.gz QWTLQLBQYZXQRO-CYBMUJFWSA-N -1 1 274.328 1.055 20 0 CDADMM C[C@]1(CNc2ccnc(-c3nn[n-]n3)c2)CCCCO1 ZINC001590136105 1173270611 /nfs/dbraw/zinc/27/06/11/1173270611.db2.gz QWTLQLBQYZXQRO-CYBMUJFWSA-N -1 1 274.328 1.055 20 0 CDADMM C[C@]1(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC=CCC1 ZINC001590144217 1173271657 /nfs/dbraw/zinc/27/16/57/1173271657.db2.gz JFIOGIFDWMBNLB-HNNXBMFYSA-N -1 1 298.350 1.419 20 0 CDADMM C[C@]1(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC=CCC1 ZINC001590144217 1173271663 /nfs/dbraw/zinc/27/16/63/1173271663.db2.gz JFIOGIFDWMBNLB-HNNXBMFYSA-N -1 1 298.350 1.419 20 0 CDADMM C[C@@H]1C[C@H]1c1ccc(CNc2cnc(-c3nnn[n-]3)cn2)o1 ZINC001590217199 1173299113 /nfs/dbraw/zinc/29/91/13/1173299113.db2.gz AICBGROZBPOMCA-PSASIEDQSA-N -1 1 297.322 1.985 20 0 CDADMM C[C@@H]1C[C@H]1c1ccc(CNc2cnc(-c3nn[n-]n3)cn2)o1 ZINC001590217199 1173299117 /nfs/dbraw/zinc/29/91/17/1173299117.db2.gz AICBGROZBPOMCA-PSASIEDQSA-N -1 1 297.322 1.985 20 0 CDADMM C[C@H]1CC[C@H](C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001590221641 1173302239 /nfs/dbraw/zinc/30/22/39/1173302239.db2.gz BIQACYDTJDHPBR-YUMQZZPRSA-N -1 1 292.368 1.376 20 0 CDADMM C[C@H]1CC[C@H](C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001590221641 1173302249 /nfs/dbraw/zinc/30/22/49/1173302249.db2.gz BIQACYDTJDHPBR-YUMQZZPRSA-N -1 1 292.368 1.376 20 0 CDADMM CC1CCC(C)(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001590225259 1173304463 /nfs/dbraw/zinc/30/44/63/1173304463.db2.gz KRVXKOJYVQYEAO-UHFFFAOYSA-N -1 1 287.371 1.707 20 0 CDADMM C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc(-c2nnn[n-]2)o1 ZINC001590226682 1173304606 /nfs/dbraw/zinc/30/46/06/1173304606.db2.gz RTOQUVIJYAKWGC-DTWKUNHWSA-N -1 1 291.311 1.145 20 0 CDADMM C[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1ccc(-c2nn[n-]n2)o1 ZINC001590226682 1173304622 /nfs/dbraw/zinc/30/46/22/1173304622.db2.gz RTOQUVIJYAKWGC-DTWKUNHWSA-N -1 1 291.311 1.145 20 0 CDADMM C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc(-c2nn[n-]n2)o1 ZINC001590226682 1173304627 /nfs/dbraw/zinc/30/46/27/1173304627.db2.gz RTOQUVIJYAKWGC-DTWKUNHWSA-N -1 1 291.311 1.145 20 0 CDADMM C[C@H]1CCC[C@H](C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC001590239865 1173312355 /nfs/dbraw/zinc/31/23/55/1173312355.db2.gz OXVCDBGKGNEPML-IUCAKERBSA-N -1 1 289.343 1.365 20 0 CDADMM C[C@H]1CCC[C@H](C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC001590239865 1173312362 /nfs/dbraw/zinc/31/23/62/1173312362.db2.gz OXVCDBGKGNEPML-IUCAKERBSA-N -1 1 289.343 1.365 20 0 CDADMM C[C@H]1CCC[C@@H]1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590245842 1173318112 /nfs/dbraw/zinc/31/81/12/1173318112.db2.gz APDVVFSYPSECNK-WPRPVWTQSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@H]1CCC[C@@H]1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590245842 1173318113 /nfs/dbraw/zinc/31/81/13/1173318113.db2.gz APDVVFSYPSECNK-WPRPVWTQSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@@H]1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)C[C@H]1F ZINC001590270309 1173330870 /nfs/dbraw/zinc/33/08/70/1173330870.db2.gz TWUZCYIHPBGLHJ-VXNVDRBHSA-N -1 1 279.275 1.280 20 0 CDADMM C[C@@H]1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)C[C@H]1F ZINC001590270309 1173330879 /nfs/dbraw/zinc/33/08/79/1173330879.db2.gz TWUZCYIHPBGLHJ-VXNVDRBHSA-N -1 1 279.275 1.280 20 0 CDADMM CCC(CC)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001590436017 1173407739 /nfs/dbraw/zinc/40/77/39/1173407739.db2.gz YSHSAHBSGOQIAO-UHFFFAOYSA-N -1 1 294.746 1.834 20 0 CDADMM CC[C@]1(C)OC(=O)N(Cc2ccc(-c3nnn[n-]3)o2)C1=O ZINC001590492722 1173434276 /nfs/dbraw/zinc/43/42/76/1173434276.db2.gz UJAITDFIYVFGJC-LBPRGKRZSA-N -1 1 291.267 1.107 20 0 CDADMM CC[C@]1(C)OC(=O)N(Cc2ccc(-c3nn[n-]n3)o2)C1=O ZINC001590492722 1173434285 /nfs/dbraw/zinc/43/42/85/1173434285.db2.gz UJAITDFIYVFGJC-LBPRGKRZSA-N -1 1 291.267 1.107 20 0 CDADMM CC[C@H]1[C@@H](C)CCN1c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001590501718 1173436965 /nfs/dbraw/zinc/43/69/65/1173436965.db2.gz DFHAVSINQZNLKG-KWQFWETISA-N -1 1 273.344 1.590 20 0 CDADMM CC[C@H]1[C@@H](C)CCN1c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001590501718 1173436969 /nfs/dbraw/zinc/43/69/69/1173436969.db2.gz DFHAVSINQZNLKG-KWQFWETISA-N -1 1 273.344 1.590 20 0 CDADMM CC[C@@H]1[C@@H](C)CCN1c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001590501716 1173438233 /nfs/dbraw/zinc/43/82/33/1173438233.db2.gz DFHAVSINQZNLKG-GZMMTYOYSA-N -1 1 273.344 1.590 20 0 CDADMM CC[C@@H]1[C@@H](C)CCN1c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001590501716 1173438235 /nfs/dbraw/zinc/43/82/35/1173438235.db2.gz DFHAVSINQZNLKG-GZMMTYOYSA-N -1 1 273.344 1.590 20 0 CDADMM CC[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001590506504 1173440282 /nfs/dbraw/zinc/44/02/82/1173440282.db2.gz UBPPUSMBHXIAFW-BDAKNGLRSA-N -1 1 291.311 1.147 20 0 CDADMM CC[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001590506504 1173440286 /nfs/dbraw/zinc/44/02/86/1173440286.db2.gz UBPPUSMBHXIAFW-BDAKNGLRSA-N -1 1 291.311 1.147 20 0 CDADMM CC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@H]1C ZINC001590513894 1173442051 /nfs/dbraw/zinc/44/20/51/1173442051.db2.gz AARABWAPVGFGQQ-IUCAKERBSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@H]1C ZINC001590513894 1173442055 /nfs/dbraw/zinc/44/20/55/1173442055.db2.gz AARABWAPVGFGQQ-IUCAKERBSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001590514242 1173442307 /nfs/dbraw/zinc/44/23/07/1173442307.db2.gz GQWPXJPXWBIJFM-SECBINFHSA-N -1 1 287.327 1.526 20 0 CDADMM CC[C@@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001590514242 1173442313 /nfs/dbraw/zinc/44/23/13/1173442313.db2.gz GQWPXJPXWBIJFM-SECBINFHSA-N -1 1 287.327 1.526 20 0 CDADMM CC[C@H]1COC(C)(C)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001590521911 1173449511 /nfs/dbraw/zinc/44/95/11/1173449511.db2.gz CCGJSPSHBMZORA-VIFPVBQESA-N -1 1 289.343 1.051 20 0 CDADMM CCCc1ccccc1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590659182 1173483668 /nfs/dbraw/zinc/48/36/68/1173483668.db2.gz BULHWVFPIXICDR-UHFFFAOYSA-N -1 1 281.323 1.775 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@@H](C)CC)n1 ZINC001590903700 1173539593 /nfs/dbraw/zinc/53/95/93/1173539593.db2.gz IAQQYEBXERAMQL-VIFPVBQESA-N -1 1 275.360 1.701 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@@H](C)CC)n1 ZINC001590903700 1173539599 /nfs/dbraw/zinc/53/95/99/1173539599.db2.gz IAQQYEBXERAMQL-VIFPVBQESA-N -1 1 275.360 1.701 20 0 CDADMM CCc1nc(N[C@@H](C)[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001590915249 1173540699 /nfs/dbraw/zinc/54/06/99/1173540699.db2.gz RPRPXXMEYKXQCU-DTWKUNHWSA-N -1 1 289.343 1.056 20 0 CDADMM CCc1nc(N[C@@H](C)[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001590915249 1173540702 /nfs/dbraw/zinc/54/07/02/1173540702.db2.gz RPRPXXMEYKXQCU-DTWKUNHWSA-N -1 1 289.343 1.056 20 0 CDADMM CCc1nc(NCC2CCCC2)cc(-c2nnn[n-]2)n1 ZINC001590917888 1173543591 /nfs/dbraw/zinc/54/35/91/1173543591.db2.gz DLMNMIPILSRFJW-UHFFFAOYSA-N -1 1 273.344 1.821 20 0 CDADMM CCc1nc(N[C@@H](C)[C@@H](C)OC)cc(-c2nnn[n-]2)n1 ZINC001590922535 1173544839 /nfs/dbraw/zinc/54/48/39/1173544839.db2.gz FFGOMVKCTBMGQN-JGVFFNPUSA-N -1 1 277.332 1.054 20 0 CDADMM CCc1nc(N[C@@H](C)[C@@H](C)OC)cc(-c2nn[n-]n2)n1 ZINC001590922535 1173544843 /nfs/dbraw/zinc/54/48/43/1173544843.db2.gz FFGOMVKCTBMGQN-JGVFFNPUSA-N -1 1 277.332 1.054 20 0 CDADMM CNC(=O)CCSc1cc(C)cc(F)c1-c1nn[n-]n1 ZINC001591208713 1173592524 /nfs/dbraw/zinc/59/25/24/1173592524.db2.gz UFLQQIQCUOFHJD-UHFFFAOYSA-N -1 1 295.343 1.542 20 0 CDADMM COC1(CCOc2ccc(F)nc2-c2nnn[n-]2)CCC1 ZINC001591341392 1173619834 /nfs/dbraw/zinc/61/98/34/1173619834.db2.gz SFRBHSLRFFHPNC-UHFFFAOYSA-N -1 1 293.302 1.739 20 0 CDADMM COC1(CCOc2ccc(F)nc2-c2nn[n-]n2)CCC1 ZINC001591341392 1173619838 /nfs/dbraw/zinc/61/98/38/1173619838.db2.gz SFRBHSLRFFHPNC-UHFFFAOYSA-N -1 1 293.302 1.739 20 0 CDADMM CO[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001591358876 1173627060 /nfs/dbraw/zinc/62/70/60/1173627060.db2.gz SEVSGMQYBXNPSM-NXEZZACHSA-N -1 1 274.328 1.265 20 0 CDADMM CO[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001591358876 1173627066 /nfs/dbraw/zinc/62/70/66/1173627066.db2.gz SEVSGMQYBXNPSM-NXEZZACHSA-N -1 1 274.328 1.265 20 0 CDADMM COCC1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001591396531 1173644901 /nfs/dbraw/zinc/64/49/01/1173644901.db2.gz YZNXRQVNQFVOPV-UHFFFAOYSA-N -1 1 286.748 1.059 20 0 CDADMM COCC1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001591396531 1173644905 /nfs/dbraw/zinc/64/49/05/1173644905.db2.gz YZNXRQVNQFVOPV-UHFFFAOYSA-N -1 1 286.748 1.059 20 0 CDADMM CO[C@H]1C[C@H](OC(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001591473792 1173658601 /nfs/dbraw/zinc/65/86/01/1173658601.db2.gz PIJHEPGCJILZDA-ZKCHVHJHSA-N -1 1 292.270 1.340 20 0 CDADMM CO[C@H]1C[C@H](OC(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001591473792 1173658605 /nfs/dbraw/zinc/65/86/05/1173658605.db2.gz PIJHEPGCJILZDA-ZKCHVHJHSA-N -1 1 292.270 1.340 20 0 CDADMM COc1ccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)c(C)c1 ZINC001591573840 1173670668 /nfs/dbraw/zinc/67/06/68/1173670668.db2.gz JDHFNCHPDXEKAO-UHFFFAOYSA-N -1 1 299.294 1.159 20 0 CDADMM COc1ncccc1COc1cccnc1-c1nnn[n-]1 ZINC001591669094 1173679627 /nfs/dbraw/zinc/67/96/27/1173679627.db2.gz OEFLJTNWZQDGNM-UHFFFAOYSA-N -1 1 284.279 1.244 20 0 CDADMM COc1ncccc1COc1cccnc1-c1nn[n-]n1 ZINC001591669094 1173679633 /nfs/dbraw/zinc/67/96/33/1173679633.db2.gz OEFLJTNWZQDGNM-UHFFFAOYSA-N -1 1 284.279 1.244 20 0 CDADMM CSc1ccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)o1 ZINC001591707565 1173690267 /nfs/dbraw/zinc/69/02/67/1173690267.db2.gz RSWLXBIXOJZFDT-UHFFFAOYSA-N -1 1 291.296 1.157 20 0 CDADMM C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)C[C@@H](C)C1=O ZINC001591745305 1173694877 /nfs/dbraw/zinc/69/48/77/1173694877.db2.gz OSOJLSFYMSCIIR-RKDXNWHRSA-N -1 1 275.312 1.117 20 0 CDADMM C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)C[C@@H](C)C1=O ZINC001591745305 1173694880 /nfs/dbraw/zinc/69/48/80/1173694880.db2.gz OSOJLSFYMSCIIR-RKDXNWHRSA-N -1 1 275.312 1.117 20 0 CDADMM Cc1c(Nc2cnc(-c3nnn[n-]3)cn2)cccc1N(C)C ZINC001591828590 1173711829 /nfs/dbraw/zinc/71/18/29/1173711829.db2.gz OVRKUNZZYHTTSV-UHFFFAOYSA-N -1 1 296.338 1.775 20 0 CDADMM Cc1c(Nc2cnc(-c3nn[n-]n3)cn2)cccc1N(C)C ZINC001591828590 1173711833 /nfs/dbraw/zinc/71/18/33/1173711833.db2.gz OVRKUNZZYHTTSV-UHFFFAOYSA-N -1 1 296.338 1.775 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)Cc2nccs2)c1 ZINC001591884667 1173739495 /nfs/dbraw/zinc/73/94/95/1173739495.db2.gz RJYYUSZGUQZRMT-UHFFFAOYSA-N -1 1 287.352 1.663 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)Cc2nccs2)c1 ZINC001591884667 1173739497 /nfs/dbraw/zinc/73/94/97/1173739497.db2.gz RJYYUSZGUQZRMT-UHFFFAOYSA-N -1 1 287.352 1.663 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2C[C@H]2c2ccco2)n1 ZINC001591902379 1173745575 /nfs/dbraw/zinc/74/55/75/1173745575.db2.gz XJNTYKVTICETFM-RKDXNWHRSA-N -1 1 283.295 1.526 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2C[C@H]2c2ccco2)n1 ZINC001591902379 1173745580 /nfs/dbraw/zinc/74/55/80/1173745580.db2.gz XJNTYKVTICETFM-RKDXNWHRSA-N -1 1 283.295 1.526 20 0 CDADMM Cc1cc(C)nc(Cn2ccc(-c3nn[n-]n3)cc2=O)c1 ZINC001591956798 1173751653 /nfs/dbraw/zinc/75/16/53/1173751653.db2.gz OIRHMYZJZRNFPJ-UHFFFAOYSA-N -1 1 282.307 1.089 20 0 CDADMM Cc1cc(N2[C@H](C)CC[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001591999316 1173769453 /nfs/dbraw/zinc/76/94/53/1173769453.db2.gz NGNFCIFQUHJCLB-NXEZZACHSA-N -1 1 258.329 1.947 20 0 CDADMM Cc1cc(N2[C@H](C)CC[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001591999316 1173769456 /nfs/dbraw/zinc/76/94/56/1173769456.db2.gz NGNFCIFQUHJCLB-NXEZZACHSA-N -1 1 258.329 1.947 20 0 CDADMM Cc1cc(N2CCOC[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001592008653 1173771771 /nfs/dbraw/zinc/77/17/71/1173771771.db2.gz LWDOMIOZMKIUFT-SECBINFHSA-N -1 1 274.328 1.043 20 0 CDADMM Cc1cc(N2CCOC[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001592008653 1173771773 /nfs/dbraw/zinc/77/17/73/1173771773.db2.gz LWDOMIOZMKIUFT-SECBINFHSA-N -1 1 274.328 1.043 20 0 CDADMM Cc1ccc(CCNc2cccc(-c3nnn[n-]3)n2)nc1 ZINC001592151227 1173813139 /nfs/dbraw/zinc/81/31/39/1173813139.db2.gz JUUDHWWXHGMZLH-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1ccc(CCNc2cccc(-c3nn[n-]n3)n2)nc1 ZINC001592151227 1173813144 /nfs/dbraw/zinc/81/31/44/1173813144.db2.gz JUUDHWWXHGMZLH-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1ccc(CNc2n[nH]c(C)c2-c2nnn[n-]2)s1 ZINC001592166303 1173821147 /nfs/dbraw/zinc/82/11/47/1173821147.db2.gz CHICSOBYVROYBH-UHFFFAOYSA-N -1 1 275.341 1.880 20 0 CDADMM Cc1ccc(CNc2n[nH]c(C)c2-c2nn[n-]n2)s1 ZINC001592166303 1173821154 /nfs/dbraw/zinc/82/11/54/1173821154.db2.gz CHICSOBYVROYBH-UHFFFAOYSA-N -1 1 275.341 1.880 20 0 CDADMM Cc1ccc(N2CCCC3(CC3)C2)c(-c2nnn[n-]2)n1 ZINC001592175483 1173822849 /nfs/dbraw/zinc/82/28/49/1173822849.db2.gz CSLFBUZLSQJUBI-UHFFFAOYSA-N -1 1 270.340 1.951 20 0 CDADMM Cc1ccc(N2CCCC3(CC3)C2)c(-c2nn[n-]n2)n1 ZINC001592175483 1173822854 /nfs/dbraw/zinc/82/28/54/1173822854.db2.gz CSLFBUZLSQJUBI-UHFFFAOYSA-N -1 1 270.340 1.951 20 0 CDADMM Cc1cccc(COC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001592231499 1173835880 /nfs/dbraw/zinc/83/58/80/1173835880.db2.gz GJQWSZRAISEQLT-UHFFFAOYSA-N -1 1 295.302 1.927 20 0 CDADMM Cc1cccc(COC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001592231499 1173835883 /nfs/dbraw/zinc/83/58/83/1173835883.db2.gz GJQWSZRAISEQLT-UHFFFAOYSA-N -1 1 295.302 1.927 20 0 CDADMM Cc1cccc(COC(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001592232278 1173836832 /nfs/dbraw/zinc/83/68/32/1173836832.db2.gz WNFZYMLGPRJYOP-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1cccc(COC(=O)c2coc(-c3nn[n-]n3)c2)n1 ZINC001592232278 1173836837 /nfs/dbraw/zinc/83/68/37/1173836837.db2.gz WNFZYMLGPRJYOP-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1[nH]nc(NCc2cc3ccccc3[nH]2)c1-c1nnn[n-]1 ZINC001592330948 1173856603 /nfs/dbraw/zinc/85/66/03/1173856603.db2.gz OVLODAHBPWOYGN-UHFFFAOYSA-N -1 1 294.322 1.992 20 0 CDADMM Cc1[nH]nc(NCc2cc3ccccc3[nH]2)c1-c1nn[n-]n1 ZINC001592330948 1173856608 /nfs/dbraw/zinc/85/66/08/1173856608.db2.gz OVLODAHBPWOYGN-UHFFFAOYSA-N -1 1 294.322 1.992 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC(C3CCCC3)C2)n1 ZINC001592337083 1173858983 /nfs/dbraw/zinc/85/89/83/1173858983.db2.gz APLIAJHLRMKEQT-UHFFFAOYSA-N -1 1 285.355 1.592 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC(C3CCCC3)C2)n1 ZINC001592337083 1173858989 /nfs/dbraw/zinc/85/89/89/1173858989.db2.gz APLIAJHLRMKEQT-UHFFFAOYSA-N -1 1 285.355 1.592 20 0 CDADMM Cc1ncsc1CCNc1ccnc(-c2nnn[n-]2)c1 ZINC001592424955 1173886483 /nfs/dbraw/zinc/88/64/83/1173886483.db2.gz LELFUFDJQXJDIZ-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM Cc1ncsc1CCNc1ccnc(-c2nn[n-]n2)c1 ZINC001592424955 1173886486 /nfs/dbraw/zinc/88/64/86/1173886486.db2.gz LELFUFDJQXJDIZ-UHFFFAOYSA-N -1 1 287.352 1.681 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC(F)CC1 ZINC001592496911 1173905148 /nfs/dbraw/zinc/90/51/48/1173905148.db2.gz OMHXJWONODBUGL-UHFFFAOYSA-N -1 1 279.275 1.342 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC(F)CC1 ZINC001592496911 1173905156 /nfs/dbraw/zinc/90/51/56/1173905156.db2.gz OMHXJWONODBUGL-UHFFFAOYSA-N -1 1 279.275 1.342 20 0 CDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC1CC1 ZINC001592505782 1173907926 /nfs/dbraw/zinc/90/79/26/1173907926.db2.gz DWMHMARMRUDAPG-UHFFFAOYSA-N -1 1 299.290 1.878 20 0 CDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC1CC1 ZINC001592505782 1173907931 /nfs/dbraw/zinc/90/79/31/1173907931.db2.gz DWMHMARMRUDAPG-UHFFFAOYSA-N -1 1 299.290 1.878 20 0 CDADMM ClC1(Cl)CC(Nc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001592523425 1173910829 /nfs/dbraw/zinc/91/08/29/1173910829.db2.gz AGUSUGKZGKMJLC-UHFFFAOYSA-N -1 1 286.126 1.405 20 0 CDADMM ClC1(Cl)CC(Nc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001592523425 1173910836 /nfs/dbraw/zinc/91/08/36/1173910836.db2.gz AGUSUGKZGKMJLC-UHFFFAOYSA-N -1 1 286.126 1.405 20 0 CDADMM Cn1ccnc1CSc1cccnc1-c1nnn[n-]1 ZINC001592585319 1173922361 /nfs/dbraw/zinc/92/23/61/1173922361.db2.gz BWZKCENKVZIROM-UHFFFAOYSA-N -1 1 273.325 1.288 20 0 CDADMM Cn1ccnc1CSc1cccnc1-c1nn[n-]n1 ZINC001592585319 1173922366 /nfs/dbraw/zinc/92/23/66/1173922366.db2.gz BWZKCENKVZIROM-UHFFFAOYSA-N -1 1 273.325 1.288 20 0 CDADMM FC1(F)CC[C@H](Nc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001592628568 1173934750 /nfs/dbraw/zinc/93/47/50/1173934750.db2.gz VAAXNCYZXRICDU-LURJTMIESA-N -1 1 267.243 1.256 20 0 CDADMM FC1(F)CC[C@H](Nc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001592628568 1173934751 /nfs/dbraw/zinc/93/47/51/1173934751.db2.gz VAAXNCYZXRICDU-LURJTMIESA-N -1 1 267.243 1.256 20 0 CDADMM Fc1ccc2c(c1)OCCN2c1cccc(-c2nnn[n-]2)n1 ZINC001592655439 1173956118 /nfs/dbraw/zinc/95/61/18/1173956118.db2.gz SONCXDGDVXRVOS-UHFFFAOYSA-N -1 1 298.281 1.931 20 0 CDADMM Fc1ccc2c(c1)OCCN2c1cccc(-c2nn[n-]n2)n1 ZINC001592655439 1173956124 /nfs/dbraw/zinc/95/61/24/1173956124.db2.gz SONCXDGDVXRVOS-UHFFFAOYSA-N -1 1 298.281 1.931 20 0 CDADMM O=C(N[C@H]1CCCSC1)c1csc(-c2nn[n-]n2)c1 ZINC001592983355 1174013620 /nfs/dbraw/zinc/01/36/20/1174013620.db2.gz SNNSCVYUMBHQLW-QMMMGPOBSA-N -1 1 295.393 1.554 20 0 CDADMM O=C(NOCC1CCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593169069 1174028549 /nfs/dbraw/zinc/02/85/49/1174028549.db2.gz JVOKWQKFAIEGSW-UHFFFAOYSA-N -1 1 289.299 1.115 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1C=CCC1 ZINC001593244759 1174041168 /nfs/dbraw/zinc/04/11/68/1174041168.db2.gz ZRMOJYILFRSYHM-MRVPVSSYSA-N -1 1 271.284 1.102 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1C=CCC1 ZINC001593244759 1174041175 /nfs/dbraw/zinc/04/11/75/1174041175.db2.gz ZRMOJYILFRSYHM-MRVPVSSYSA-N -1 1 271.284 1.102 20 0 CDADMM O=C(OCCC1CCC1)c1coc(-c2nnn[n-]2)c1 ZINC001593287004 1174053160 /nfs/dbraw/zinc/05/31/60/1174053160.db2.gz RIQQBDFUZORCCN-UHFFFAOYSA-N -1 1 262.269 1.807 20 0 CDADMM O=C(OCCC1CCC1)c1coc(-c2nn[n-]n2)c1 ZINC001593287004 1174053165 /nfs/dbraw/zinc/05/31/65/1174053165.db2.gz RIQQBDFUZORCCN-UHFFFAOYSA-N -1 1 262.269 1.807 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1C[C@H]2CCCC[C@H]21 ZINC001593338038 1174067010 /nfs/dbraw/zinc/06/70/10/1174067010.db2.gz GYURKIKQZKIHQR-RKDXNWHRSA-N -1 1 289.364 1.943 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1C[C@H]2CCCC[C@H]21 ZINC001593338038 1174067014 /nfs/dbraw/zinc/06/70/14/1174067014.db2.gz GYURKIKQZKIHQR-RKDXNWHRSA-N -1 1 289.364 1.943 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1Cc2ccccc2C1 ZINC001593348598 1174067320 /nfs/dbraw/zinc/06/73/20/1174067320.db2.gz GYLJYLSJNIYODZ-UHFFFAOYSA-N -1 1 292.302 1.418 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1Cc2ccccc2C1 ZINC001593348598 1174067325 /nfs/dbraw/zinc/06/73/25/1174067325.db2.gz GYLJYLSJNIYODZ-UHFFFAOYSA-N -1 1 292.302 1.418 20 0 CDADMM O=C1NCCC[C@@H]1Sc1cccc(F)c1-c1nn[n-]n1 ZINC001593409521 1174075427 /nfs/dbraw/zinc/07/54/27/1174075427.db2.gz ZXITWBBYMNSWSJ-VIFPVBQESA-N -1 1 293.327 1.377 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1CC1=CCCCC1 ZINC001593492745 1174087346 /nfs/dbraw/zinc/08/73/46/1174087346.db2.gz NFTFBHRXHXPDNO-UHFFFAOYSA-N -1 1 257.297 1.529 20 0 CDADMM Oc1cccc(CCNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001593540641 1174111999 /nfs/dbraw/zinc/11/19/99/1174111999.db2.gz ZBMGZDMLGRSFMC-UHFFFAOYSA-N -1 1 283.295 1.017 20 0 CDADMM Oc1cccc(CCNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001593540641 1174112005 /nfs/dbraw/zinc/11/20/05/1174112005.db2.gz ZBMGZDMLGRSFMC-UHFFFAOYSA-N -1 1 283.295 1.017 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(-c2nc(C3CC3)no2)c1 ZINC001593550005 1174112574 /nfs/dbraw/zinc/11/25/74/1174112574.db2.gz KVTWWCBAGBMALF-UHFFFAOYSA-N -1 1 255.241 1.189 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(-c2nc(C3CC3)no2)c1 ZINC001593550005 1174112578 /nfs/dbraw/zinc/11/25/78/1174112578.db2.gz KVTWWCBAGBMALF-UHFFFAOYSA-N -1 1 255.241 1.189 20 0 CDADMM c1cc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)nc(-c2nn[n-]n2)n1 ZINC001593558684 1174133872 /nfs/dbraw/zinc/13/38/72/1174133872.db2.gz ORYQYJYNRWXWFS-GMTAPVOTSA-N -1 1 285.355 1.459 20 0 CDADMM c1ccc([C@H]2C[C@@H]2CNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001593577852 1174145699 /nfs/dbraw/zinc/14/56/99/1174145699.db2.gz CXIUPZFGLQQEDP-VXGBXAGGSA-N -1 1 293.334 1.872 20 0 CDADMM c1ccc([C@H]2C[C@@H]2CNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001593577852 1174145704 /nfs/dbraw/zinc/14/57/04/1174145704.db2.gz CXIUPZFGLQQEDP-VXGBXAGGSA-N -1 1 293.334 1.872 20 0 CDADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CCO[C@H]2C[C@H]21 ZINC001593580411 1174147898 /nfs/dbraw/zinc/14/78/98/1174147898.db2.gz OQIKLNAFYLCQQR-KGLIPLIRSA-N -1 1 294.318 1.392 20 0 CDADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CCO[C@H]2C[C@H]21 ZINC001593580411 1174147902 /nfs/dbraw/zinc/14/79/02/1174147902.db2.gz OQIKLNAFYLCQQR-KGLIPLIRSA-N -1 1 294.318 1.392 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1N[C@@H]1CC2CCC1CC2 ZINC001593590131 1174157094 /nfs/dbraw/zinc/15/70/94/1174157094.db2.gz HKYUHOMZUCFSGV-UDNWOFFPSA-N -1 1 271.328 1.647 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1N[C@@H]1CC2CCC1CC2 ZINC001593590131 1174157104 /nfs/dbraw/zinc/15/71/04/1174157104.db2.gz HKYUHOMZUCFSGV-UDNWOFFPSA-N -1 1 271.328 1.647 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NC[C@H]1C[C@@H]1C1CCCC1 ZINC001593594630 1174162158 /nfs/dbraw/zinc/16/21/58/1174162158.db2.gz DLVYLEUKXPBLHP-GHMZBOCLSA-N -1 1 285.355 1.895 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NC[C@H]1C[C@@H]1C1CCCC1 ZINC001593594630 1174162162 /nfs/dbraw/zinc/16/21/62/1174162162.db2.gz DLVYLEUKXPBLHP-GHMZBOCLSA-N -1 1 285.355 1.895 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1N[C@@H]1CCCC2(CC2)C1 ZINC001593594685 1174163171 /nfs/dbraw/zinc/16/31/71/1174163171.db2.gz GBARXWGGKUHOJA-SECBINFHSA-N -1 1 271.328 1.791 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1N[C@@H]1CCCC2(CC2)C1 ZINC001593594685 1174163176 /nfs/dbraw/zinc/16/31/76/1174163176.db2.gz GBARXWGGKUHOJA-SECBINFHSA-N -1 1 271.328 1.791 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NC12CCC(CC1)C2 ZINC001593595516 1174165120 /nfs/dbraw/zinc/16/51/20/1174165120.db2.gz SFUPPSQHNIUMHC-UHFFFAOYSA-N -1 1 257.301 1.401 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NC12CCC(CC1)C2 ZINC001593595516 1174165125 /nfs/dbraw/zinc/16/51/25/1174165125.db2.gz SFUPPSQHNIUMHC-UHFFFAOYSA-N -1 1 257.301 1.401 20 0 CDADMM O=C(CCCc1nn[n-]n1)Nc1ccc(-c2nnco2)cc1 ZINC001595774950 1174215800 /nfs/dbraw/zinc/21/58/00/1174215800.db2.gz NHIKLURFVMWMAQ-UHFFFAOYSA-N -1 1 299.294 1.211 20 0 CDADMM CCc1[nH]c(CN2CCC(O)CC2)cc1C(=O)[O-] ZINC001597385563 1174273058 /nfs/dbraw/zinc/27/30/58/1174273058.db2.gz VGBFPUONRPUEQI-UHFFFAOYSA-N -1 1 252.314 1.232 20 0 CDADMM Cc1c(NC(=O)[C@H](C)N(C)C)ccc(F)c1C(=O)[O-] ZINC001600046529 1174347410 /nfs/dbraw/zinc/34/74/10/1174347410.db2.gz GAZCYRDGEVZKDX-QMMMGPOBSA-N -1 1 268.288 1.721 20 0 CDADMM Cc1cc(Cl)cc(C)c1CNCC(=O)NCC(=O)[O-] ZINC001600218565 1174414519 /nfs/dbraw/zinc/41/45/19/1174414519.db2.gz OLCCVUUEBDLIPQ-UHFFFAOYSA-N -1 1 284.743 1.247 20 0 CDADMM Cc1cc(NC(=O)[C@@H](N)COC(C)C)cc(C(=O)[O-])c1 ZINC001600273192 1174434218 /nfs/dbraw/zinc/43/42/18/1174434218.db2.gz YBMYXPODGLFBGL-LBPRGKRZSA-N -1 1 280.324 1.384 20 0 CDADMM c1cc(N2CCCC2)ccc1-c1noc(Cc2nnn[n-]2)n1 ZINC000095103502 1174494975 /nfs/dbraw/zinc/49/49/75/1174494975.db2.gz CDBZWKZLBNJJOI-UHFFFAOYSA-N -1 1 297.322 1.441 20 0 CDADMM c1cc(N2CCCC2)ccc1-c1noc(Cc2nn[n-]n2)n1 ZINC000095103502 1174494978 /nfs/dbraw/zinc/49/49/78/1174494978.db2.gz CDBZWKZLBNJJOI-UHFFFAOYSA-N -1 1 297.322 1.441 20 0 CDADMM Cc1nc(CC(=O)Nc2ccc(F)c(C(=O)[O-])c2)n[nH]1 ZINC001600671606 1174558080 /nfs/dbraw/zinc/55/80/80/1174558080.db2.gz PHSYYBFUEURZSY-UHFFFAOYSA-N -1 1 278.243 1.132 20 0 CDADMM Cc1noc([C@@H]2CCCN(Cc3oncc3C(=O)[O-])C2)n1 ZINC001600813460 1174623678 /nfs/dbraw/zinc/62/36/78/1174623678.db2.gz MZSOYJJOIIFYLQ-SECBINFHSA-N -1 1 292.295 1.444 20 0 CDADMM Cc1oc(CN2CC[C@@H](N3CCOC3=O)C2)cc1C(=O)[O-] ZINC001600844693 1174639998 /nfs/dbraw/zinc/63/99/98/1174639998.db2.gz SGWCFZHQKLLPDT-SNVBAGLBSA-N -1 1 294.307 1.313 20 0 CDADMM Cn1cnc(CN[C@H]2CCC[C@@H](CCCC(=O)[O-])C2)n1 ZINC001600990001 1174694114 /nfs/dbraw/zinc/69/41/14/1174694114.db2.gz YYUJLKDHOSIYMT-RYUDHWBXSA-N -1 1 280.372 1.718 20 0 CDADMM Cn1nc(C2CC2)nc1CN1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001601008274 1174699960 /nfs/dbraw/zinc/69/99/60/1174699960.db2.gz IRJPAHJEMCTCST-ABAIWWIYSA-N -1 1 290.367 1.522 20 0 CDADMM O=C([O-])C12CCC(C(=O)OCc3c[nH]nn3)(CC1)CC2 ZINC001601732190 1174974383 /nfs/dbraw/zinc/97/43/83/1174974383.db2.gz POOHRNPTGKXGOZ-UHFFFAOYSA-N -1 1 279.296 1.273 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](O)CN1C[C@H]1CCC2(CCCCCC2)O1 ZINC001601774089 1175001071 /nfs/dbraw/zinc/00/10/71/1175001071.db2.gz WKJJXUALOWHFNN-MJBXVCDLSA-N -1 1 297.395 1.778 20 0 CDADMM O=C([O-])C1CCC(NC(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC001601792094 1175006501 /nfs/dbraw/zinc/00/65/01/1175006501.db2.gz FHTYALBQZHKAPR-ORHYLEIMSA-N -1 1 294.395 1.763 20 0 CDADMM O=C([O-])[C@@H]1CCN1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC001601834522 1175029469 /nfs/dbraw/zinc/02/94/69/1175029469.db2.gz OPNQFVHMWBADNT-LBPRGKRZSA-N -1 1 289.266 1.515 20 0 CDADMM O=C([O-])/C=C\c1ccc(CN2CC3(C2)CCCOC3)o1 ZINC001601879005 1175047178 /nfs/dbraw/zinc/04/71/78/1175047178.db2.gz CIIGJQISQQQENY-PLNGDYQASA-N -1 1 277.320 1.990 20 0 CDADMM O=C([O-])C[C@]1(NCc2cc3n(n2)CCCC3)CCCOC1 ZINC001601936327 1175073431 /nfs/dbraw/zinc/07/34/31/1175073431.db2.gz PSKZNYGCBKFFKY-OAHLLOKOSA-N -1 1 293.367 1.333 20 0 CDADMM O=C([O-])CN(C(=O)c1c(O)cccc1F)C1CCOCC1 ZINC001602050797 1175119572 /nfs/dbraw/zinc/11/95/72/1175119572.db2.gz WWRFJKUFWWDTHG-UHFFFAOYSA-N -1 1 297.282 1.237 20 0 CDADMM O=C([O-])c1cc(CN2CCC3(CCC(O)CC3)CC2)on1 ZINC001602256204 1175183586 /nfs/dbraw/zinc/18/35/86/1175183586.db2.gz WYFXHGUWIFGUBI-UHFFFAOYSA-N -1 1 294.351 1.890 20 0 CDADMM O=C([O-])c1ccc(-c2noc([C@@H]3CNCCO3)n2)cc1 ZINC001602312327 1175196604 /nfs/dbraw/zinc/19/66/04/1175196604.db2.gz DSHUOTUJXBRKOK-JTQLQIEISA-N -1 1 275.264 1.096 20 0 CDADMM O=C([O-])c1ccc(CN2CCC[C@@H](n3ccnc3)C2)nc1 ZINC001602338249 1175211236 /nfs/dbraw/zinc/21/12/36/1175211236.db2.gz IZIPXMYCCKWFGM-CQSZACIVSA-N -1 1 286.335 1.813 20 0 CDADMM O=C([O-])c1cncc(CN2CCC(C3OCCO3)CC2)c1 ZINC001602537826 1175277955 /nfs/dbraw/zinc/27/79/55/1175277955.db2.gz AIEBQFLUTXSCBU-UHFFFAOYSA-N -1 1 292.335 1.365 20 0 CDADMM O=C([O-])c1occc1CN1CC[C@](O)(C(F)F)C1 ZINC001602587623 1175310318 /nfs/dbraw/zinc/31/03/18/1175310318.db2.gz AMHLTMUBRPOPRI-LLVKDONJSA-N -1 1 261.224 1.180 20 0 CDADMM O=C([O-])c1occc1CN[C@@H]1CCCC12OCCO2 ZINC001602589585 1175310596 /nfs/dbraw/zinc/31/05/96/1175310596.db2.gz DBGVAVKMUYSLRQ-SNVBAGLBSA-N -1 1 267.281 1.363 20 0 CDADMM C/C(=C/C(=O)[O-])CN(CC(N)=O)[C@H](C)c1ccccc1 ZINC001602955488 1175457696 /nfs/dbraw/zinc/45/76/96/1175457696.db2.gz SEXOSSJTYZYBNR-NXIHDVOMSA-N -1 1 276.336 1.566 20 0 CDADMM C/C(=C/C(=O)[O-])CN1CCc2nc(C(C)C)ncc2C1 ZINC001602957904 1175459444 /nfs/dbraw/zinc/45/94/44/1175459444.db2.gz KOFJEYOVWMEWAN-WDZFZDKYSA-N -1 1 275.352 1.989 20 0 CDADMM C/C(=C/C(=O)[O-])CSc1nc(-c2cccnc2)n[nH]1 ZINC001602958738 1175459933 /nfs/dbraw/zinc/45/99/33/1175459933.db2.gz XLXUTXXFEQRFLK-YVMONPNESA-N -1 1 276.321 1.990 20 0 CDADMM CC(C)C(=O)COC(=O)c1ccsc1-c1nnn[n-]1 ZINC001603192498 1175512245 /nfs/dbraw/zinc/51/22/45/1175512245.db2.gz CSRSOYLLWFDFSB-UHFFFAOYSA-N -1 1 280.309 1.310 20 0 CDADMM CC(C)C(=O)COC(=O)c1ccsc1-c1nn[n-]n1 ZINC001603192498 1175512248 /nfs/dbraw/zinc/51/22/48/1175512248.db2.gz CSRSOYLLWFDFSB-UHFFFAOYSA-N -1 1 280.309 1.310 20 0 CDADMM C[C@H](C(=O)[O-])c1cccc(NC(=O)Cc2cnc[nH]2)c1 ZINC001603218351 1175516945 /nfs/dbraw/zinc/51/69/45/1175516945.db2.gz RRZJUDCZMJSIDR-VIFPVBQESA-N -1 1 273.292 1.779 20 0 CDADMM CC(C)(C)N1CC[C@H]1C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC001603345009 1175544288 /nfs/dbraw/zinc/54/42/88/1175544288.db2.gz ZAYOAHLDSODNQO-YUMQZZPRSA-N -1 1 296.289 1.381 20 0 CDADMM C[C@H](CC1CCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001603464884 1175556234 /nfs/dbraw/zinc/55/62/34/1175556234.db2.gz UGZLZTBKWCLOMN-MRVPVSSYSA-N -1 1 259.317 1.069 20 0 CDADMM C[C@@H](CNc1ncncc1-c1nn[n-]n1)CC(F)(F)F ZINC001603565444 1175565255 /nfs/dbraw/zinc/56/52/55/1175565255.db2.gz XECZFUJKLNDJQB-ZCFIWIBFSA-N -1 1 287.249 1.657 20 0 CDADMM C[C@@]1(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC1(F)F ZINC001603755616 1175618290 /nfs/dbraw/zinc/61/82/90/1175618290.db2.gz UELMKUSJIJSIIO-NSHDSACASA-N -1 1 295.249 1.350 20 0 CDADMM C[C@@]1(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC1(F)F ZINC001603755616 1175618296 /nfs/dbraw/zinc/61/82/96/1175618296.db2.gz UELMKUSJIJSIIO-NSHDSACASA-N -1 1 295.249 1.350 20 0 CDADMM CC1(C)CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001603772248 1175627425 /nfs/dbraw/zinc/62/74/25/1175627425.db2.gz LYNXRIUOFSDROF-MRVPVSSYSA-N -1 1 259.317 1.069 20 0 CDADMM CC1(C)COC[C@@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001603791777 1175634317 /nfs/dbraw/zinc/63/43/17/1175634317.db2.gz STLCGUFVDUAHAZ-QMMMGPOBSA-N -1 1 294.746 1.752 20 0 CDADMM CC1(C)COC[C@@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001603791777 1175634326 /nfs/dbraw/zinc/63/43/26/1175634326.db2.gz STLCGUFVDUAHAZ-QMMMGPOBSA-N -1 1 294.746 1.752 20 0 CDADMM CC1(CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001603804076 1175637220 /nfs/dbraw/zinc/63/72/20/1175637220.db2.gz OUAXBQSGTLIMAN-UHFFFAOYSA-N -1 1 273.300 1.183 20 0 CDADMM CC1(CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001603804076 1175637228 /nfs/dbraw/zinc/63/72/28/1175637228.db2.gz OUAXBQSGTLIMAN-UHFFFAOYSA-N -1 1 273.300 1.183 20 0 CDADMM CC1=CC[C@@](C)(C(=O)n2ncc(-c3nn[n-]n3)c2N)CC1 ZINC001603826688 1175647579 /nfs/dbraw/zinc/64/75/79/1175647579.db2.gz JBLCWEUCJPCENP-CYBMUJFWSA-N -1 1 287.327 1.422 20 0 CDADMM C[C@H]1[C@H](CO)CCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001603836738 1175649407 /nfs/dbraw/zinc/64/94/07/1175649407.db2.gz QYHUQPVTQBBOTI-YUMQZZPRSA-N -1 1 294.746 1.122 20 0 CDADMM C[C@H]1[C@H](CO)CCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001603836738 1175649409 /nfs/dbraw/zinc/64/94/09/1175649409.db2.gz QYHUQPVTQBBOTI-YUMQZZPRSA-N -1 1 294.746 1.122 20 0 CDADMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001603870629 1175661675 /nfs/dbraw/zinc/66/16/75/1175661675.db2.gz FSDKGGLAAPEYFZ-FNCVBFRFSA-N -1 1 287.327 1.211 20 0 CDADMM C[C@@H]1CCC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001603891588 1175673575 /nfs/dbraw/zinc/67/35/75/1175673575.db2.gz HUEPTUBDUGKKPZ-RKDXNWHRSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@@H]1CCC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001603891588 1175673579 /nfs/dbraw/zinc/67/35/79/1175673579.db2.gz HUEPTUBDUGKKPZ-RKDXNWHRSA-N -1 1 272.312 1.180 20 0 CDADMM CC(C)NC(=O)NCCN(CCC(F)(F)F)CC(=O)[O-] ZINC001603900801 1175677666 /nfs/dbraw/zinc/67/76/66/1175677666.db2.gz YANLVFDUWKWGGG-UHFFFAOYSA-N -1 1 299.293 1.033 20 0 CDADMM C[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)Cc2ccccc21 ZINC001603941860 1175692750 /nfs/dbraw/zinc/69/27/50/1175692750.db2.gz VFSLVPQRCCIEEW-JTQLQIEISA-N -1 1 293.334 1.780 20 0 CDADMM C[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)Cc2ccccc21 ZINC001603941860 1175692755 /nfs/dbraw/zinc/69/27/55/1175692755.db2.gz VFSLVPQRCCIEEW-JTQLQIEISA-N -1 1 293.334 1.780 20 0 CDADMM CCC(C)(C)c1noc(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001603984475 1175707815 /nfs/dbraw/zinc/70/78/15/1175707815.db2.gz FKOPRSDELXNEAT-UHFFFAOYSA-N -1 1 285.311 1.999 20 0 CDADMM CCC(C)(C)c1noc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001603984475 1175707821 /nfs/dbraw/zinc/70/78/21/1175707821.db2.gz FKOPRSDELXNEAT-UHFFFAOYSA-N -1 1 285.311 1.999 20 0 CDADMM CC/C(C)=C\C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001603989481 1175709842 /nfs/dbraw/zinc/70/98/42/1175709842.db2.gz DKYQTDSFUULHMB-TWGQIWQCSA-N -1 1 273.296 1.661 20 0 CDADMM CC/C(C)=C\C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001603989481 1175709846 /nfs/dbraw/zinc/70/98/46/1175709846.db2.gz DKYQTDSFUULHMB-TWGQIWQCSA-N -1 1 273.296 1.661 20 0 CDADMM CC(C)c1ncc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)[nH]1 ZINC001604012536 1175720250 /nfs/dbraw/zinc/72/02/50/1175720250.db2.gz VJPAGKWBESZKTD-SNVBAGLBSA-N -1 1 291.351 1.860 20 0 CDADMM CC(C)c1nc(CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)n[nH]1 ZINC001604021157 1175723742 /nfs/dbraw/zinc/72/37/42/1175723742.db2.gz QMEMPGLUBILBLH-NXEZZACHSA-N -1 1 294.355 1.435 20 0 CDADMM CC[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1ccncc1 ZINC001604051743 1175734569 /nfs/dbraw/zinc/73/45/69/1175734569.db2.gz UPJXENPCTASQGS-LLVKDONJSA-N -1 1 298.306 1.736 20 0 CDADMM CC[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1ccncc1 ZINC001604051743 1175734573 /nfs/dbraw/zinc/73/45/73/1175734573.db2.gz UPJXENPCTASQGS-LLVKDONJSA-N -1 1 298.306 1.736 20 0 CDADMM CCC1(CC)CCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001604083904 1175750076 /nfs/dbraw/zinc/75/00/76/1175750076.db2.gz BUEQAYCXZFNMGR-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM CCC1(O)CCN(c2ccc(C)c(-c3nnn[n-]3)n2)CC1 ZINC001604093401 1175754058 /nfs/dbraw/zinc/75/40/58/1175754058.db2.gz CGUBGBQYUYIRQV-UHFFFAOYSA-N -1 1 288.355 1.311 20 0 CDADMM CCC1(O)CCN(c2ccc(C)c(-c3nn[n-]n3)n2)CC1 ZINC001604093401 1175754065 /nfs/dbraw/zinc/75/40/65/1175754065.db2.gz CGUBGBQYUYIRQV-UHFFFAOYSA-N -1 1 288.355 1.311 20 0 CDADMM CC[C@H]1C[C@@H](CNc2n[nH]cc2-c2nnn[n-]2)CCO1 ZINC001604098846 1175759698 /nfs/dbraw/zinc/75/96/98/1175759698.db2.gz HJKZAUBSMCFLGA-IUCAKERBSA-N -1 1 277.332 1.207 20 0 CDADMM CC[C@H]1C[C@@H](CNc2n[nH]cc2-c2nn[n-]n2)CCO1 ZINC001604098846 1175759702 /nfs/dbraw/zinc/75/97/02/1175759702.db2.gz HJKZAUBSMCFLGA-IUCAKERBSA-N -1 1 277.332 1.207 20 0 CDADMM CC[C@@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001604101442 1175761585 /nfs/dbraw/zinc/76/15/85/1175761585.db2.gz ZGANKEGDDMTONY-NXEZZACHSA-N -1 1 274.328 1.631 20 0 CDADMM CC[C@@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001604101442 1175761591 /nfs/dbraw/zinc/76/15/91/1175761591.db2.gz ZGANKEGDDMTONY-NXEZZACHSA-N -1 1 274.328 1.631 20 0 CDADMM O=C(NCc1ccccc1CO)c1ccc([O-])cc1F ZINC000162477336 1180142433 /nfs/dbraw/zinc/14/24/33/1180142433.db2.gz NHAONVVIHZQKHK-UHFFFAOYSA-N -1 1 275.279 1.954 20 0 CDADMM Cn1cc([N-]S(=O)(=O)CCC(F)(F)F)cn1 ZINC000171142731 1181236633 /nfs/dbraw/zinc/23/66/33/1181236633.db2.gz VSFJGUKWDKEVNS-UHFFFAOYSA-N -1 1 257.237 1.114 20 0 CDADMM CC[C@@H]1CN(C(=O)c2ccc([O-])cc2F)C[C@@H]1O ZINC000400468244 1186369311 /nfs/dbraw/zinc/36/93/11/1186369311.db2.gz WBQYVMUFXKYKQI-PELKAZGASA-N -1 1 253.273 1.374 20 0 CDADMM Brc1ccc(COCc2nn[n-]n2)s1 ZINC001771908666 1186945089 /nfs/dbraw/zinc/94/50/89/1186945089.db2.gz FKLCFMITPVNDEY-UHFFFAOYSA-N -1 1 275.131 1.741 20 0 CDADMM CN1CC[C@H]1CNC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001606219497 1163814983 /nfs/dbraw/zinc/81/49/83/1163814983.db2.gz ZXASUNFEJWXSDW-NSHDSACASA-N -1 1 295.314 1.027 20 0 CDADMM O=C(N[C@@H]1C=CCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606647030 1163944423 /nfs/dbraw/zinc/94/44/23/1163944423.db2.gz JZOJVOQRJUOELH-MRVPVSSYSA-N -1 1 273.271 1.454 20 0 CDADMM O=C(N[C@@H]1C=CCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606647030 1163944426 /nfs/dbraw/zinc/94/44/26/1163944426.db2.gz JZOJVOQRJUOELH-MRVPVSSYSA-N -1 1 273.271 1.454 20 0 CDADMM CO[C@@H]1C[C@@H](N(C)Cc2oncc2C(=O)[O-])C12CCC2 ZINC001606722576 1163971928 /nfs/dbraw/zinc/97/19/28/1163971928.db2.gz LRBSUGZAAYTDCV-VXGBXAGGSA-N -1 1 280.324 1.762 20 0 CDADMM O=C(OC/C=C/Cl)c1ccnc(-c2nnn[n-]2)c1 ZINC001606967552 1164042516 /nfs/dbraw/zinc/04/25/16/1164042516.db2.gz LKPGWHAMRGQIAD-HNQUOIGGSA-N -1 1 265.660 1.171 20 0 CDADMM O=C(OC/C=C/Cl)c1ccnc(-c2nn[n-]n2)c1 ZINC001606967552 1164042523 /nfs/dbraw/zinc/04/25/23/1164042523.db2.gz LKPGWHAMRGQIAD-HNQUOIGGSA-N -1 1 265.660 1.171 20 0 CDADMM COc1cc(CNc2nccnc2CN)ccc1C(=O)[O-] ZINC001607164683 1164124893 /nfs/dbraw/zinc/12/48/93/1164124893.db2.gz FMBCXCNPEKQXHP-UHFFFAOYSA-N -1 1 288.307 1.254 20 0 CDADMM COc1cccc(CN2C[C@H](O)C[C@H](C(=O)[O-])C2)c1Cl ZINC001607321390 1164146700 /nfs/dbraw/zinc/14/67/00/1164146700.db2.gz DXNXGOCKAMHFTE-WDEREUQCSA-N -1 1 299.754 1.616 20 0 CDADMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC001607491656 1164203937 /nfs/dbraw/zinc/20/39/37/1164203937.db2.gz QRFYIZQLSWILRB-IUCAKERBSA-N -1 1 293.367 1.494 20 0 CDADMM Cc1cc(C)cc([C@H](NCc2cnc[nH]2)C(=O)[O-])c1 ZINC001607624897 1164244010 /nfs/dbraw/zinc/24/40/10/1164244010.db2.gz HBLQBNSRFYZTAQ-ZDUSSCGKSA-N -1 1 259.309 1.942 20 0 CDADMM Cc1cc(CCC(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])n[nH]1 ZINC001607637950 1164249221 /nfs/dbraw/zinc/24/92/21/1164249221.db2.gz NDAAWZLKMKGFOU-DOMZBBRYSA-N -1 1 293.367 1.800 20 0 CDADMM Cc1cc(CNCc2[nH]cc(C(=O)[O-])c2C2CC2)n(C)n1 ZINC001607650349 1164258567 /nfs/dbraw/zinc/25/85/67/1164258567.db2.gz XSGUKEBMYGONLY-UHFFFAOYSA-N -1 1 288.351 1.922 20 0 CDADMM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)N(C)C)cc1 ZINC001607753179 1164285589 /nfs/dbraw/zinc/28/55/89/1164285589.db2.gz FLTFECAZWNJMLF-WCQYABFASA-N -1 1 278.352 1.577 20 0 CDADMM CCO[C@@H](C)C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000345499539 1164341835 /nfs/dbraw/zinc/34/18/35/1164341835.db2.gz TUJFOVMYBYKSEN-VIFPVBQESA-N -1 1 291.311 1.142 20 0 CDADMM Cc1nc([C@@H](C)NCc2cc(C(=O)[O-])oc2C)n[nH]1 ZINC001608013023 1164374969 /nfs/dbraw/zinc/37/49/69/1164374969.db2.gz FGBWNCQAUJEYIJ-ZCFIWIBFSA-N -1 1 264.285 1.564 20 0 CDADMM Cc1oc(C(=O)[O-])cc1C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC001608032653 1164386643 /nfs/dbraw/zinc/38/66/43/1164386643.db2.gz PGZVEJZYXNWCAN-YUMQZZPRSA-N -1 1 266.297 1.109 20 0 CDADMM Cn1c(=O)sc2cc(CN[C@H](CF)C(=O)[O-])ccc21 ZINC001608080939 1164402310 /nfs/dbraw/zinc/40/23/10/1164402310.db2.gz RBWGFCSOLCKFSF-MRVPVSSYSA-N -1 1 284.312 1.112 20 0 CDADMM O=C([O-])[C@H](CCF)NC(=O)c1cc(F)cc(F)c1O ZINC001608396773 1164505761 /nfs/dbraw/zinc/50/57/61/1164505761.db2.gz MHZVSBDSJCOFLT-QMMMGPOBSA-N -1 1 277.198 1.213 20 0 CDADMM O=C([O-])[C@@H]1CCCC[C@H]1CN1CCc2nn[nH]c2C1 ZINC001608624354 1164579436 /nfs/dbraw/zinc/57/94/36/1164579436.db2.gz GINFDNYEPBYMSX-VHSXEESVSA-N -1 1 264.329 1.054 20 0 CDADMM O=C([O-])c1ccc(CN2CC[C@@H]3[C@H](C2)C3(F)F)[nH]1 ZINC001608881804 1164672858 /nfs/dbraw/zinc/67/28/58/1164672858.db2.gz SDYISGDUBJVKAG-BDAKNGLRSA-N -1 1 256.252 1.800 20 0 CDADMM Cc1ccc(NC(=O)Cc2sc(N)nc2[O-])cc1F ZINC000120786639 1164702219 /nfs/dbraw/zinc/70/22/19/1164702219.db2.gz FQGMSPOIAAQBLB-VIFPVBQESA-N -1 1 281.312 1.419 20 0 CDADMM CC1(CC(F)F)CN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001609148723 1164797985 /nfs/dbraw/zinc/79/79/85/1164797985.db2.gz JFXFCKHSGSXIFV-UHFFFAOYSA-N -1 1 281.270 1.138 20 0 CDADMM CC1(CC(F)F)CN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001609148723 1164797991 /nfs/dbraw/zinc/79/79/91/1164797991.db2.gz JFXFCKHSGSXIFV-UHFFFAOYSA-N -1 1 281.270 1.138 20 0 CDADMM C[C@@H]1CN(c2ccnc(-c3nnn[n-]3)c2)CCC1(F)F ZINC001609176197 1164816319 /nfs/dbraw/zinc/81/63/19/1164816319.db2.gz NVGXPLMBFLLGRJ-MRVPVSSYSA-N -1 1 280.282 1.743 20 0 CDADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)c2)CCC1(F)F ZINC001609176197 1164816327 /nfs/dbraw/zinc/81/63/27/1164816327.db2.gz NVGXPLMBFLLGRJ-MRVPVSSYSA-N -1 1 280.282 1.743 20 0 CDADMM CC[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)CCO1 ZINC001609199303 1164838099 /nfs/dbraw/zinc/83/80/99/1164838099.db2.gz UKELEBAWEMSRRT-DTWKUNHWSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@@H]1CCC[C@@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001609199620 1164839896 /nfs/dbraw/zinc/83/98/96/1164839896.db2.gz AVVWFDRLYAORLE-BDAKNGLRSA-N -1 1 259.317 1.647 20 0 CDADMM CC[C@@H]1CCC[C@@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001609199620 1164839902 /nfs/dbraw/zinc/83/99/02/1164839902.db2.gz AVVWFDRLYAORLE-BDAKNGLRSA-N -1 1 259.317 1.647 20 0 CDADMM CS[C@@H]1CCCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001609369518 1164912277 /nfs/dbraw/zinc/91/22/77/1164912277.db2.gz DAQSNNWKIHVSMH-SECBINFHSA-N -1 1 291.384 1.379 20 0 CDADMM CN1CCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC000923116797 790289342 /nfs/dbraw/zinc/28/93/42/790289342.db2.gz 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CC[C@@]1(C)CCN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590489486 1173431189 /nfs/dbraw/zinc/43/11/89/1173431189.db2.gz IISDQHMNVBYSDZ-ZDUSSCGKSA-N -1 1 275.312 1.722 20 0 CDADMM C[C@@H]1[C@H](C)CN(C(=O)c2c[n-]c3c(cnn3C)c2=O)[C@H]1C ZINC000416317175 289009299 /nfs/dbraw/zinc/00/92/99/289009299.db2.gz IPVQVAXGGYROQB-BBBLOLIVSA-N -1 1 288.351 1.790 20 0 CDADMM Cn1nccc1/C=C\C(=O)[N-]O[C@H]1CCCCO1 ZINC000255142804 289358802 /nfs/dbraw/zinc/35/88/02/289358802.db2.gz QGYCMPQMHPDMMM-FJOGCWAESA-N -1 1 251.286 1.008 20 0 CDADMM CCOC(=O)C1(CNC(=O)c2c([O-])cccc2F)CCC1 ZINC000547798329 289809820 /nfs/dbraw/zinc/80/98/20/289809820.db2.gz GLWFBOFWQHMMFB-UHFFFAOYSA-N -1 1 295.310 1.995 20 0 CDADMM O=C(NC1(c2nn[n-]n2)CC1)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000552493240 290072919 /nfs/dbraw/zinc/07/29/19/290072919.db2.gz CEKGWZVQEFNHSV-NKWVEPMBSA-N -1 1 289.261 1.284 20 0 CDADMM O=C(NC1(c2nn[n-]n2)CC1)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000552493241 290073080 /nfs/dbraw/zinc/07/30/80/290073080.db2.gz 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/nfs/dbraw/zinc/46/09/64/1173460964.db2.gz INJMIGZRHXRROJ-QMMMGPOBSA-N -1 1 277.332 1.365 20 0 CDADMM CCC[C@@H](CC)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590553470 1173461522 /nfs/dbraw/zinc/46/15/22/1173461522.db2.gz DRCKEKLDFBWRLW-SSDOTTSWSA-N -1 1 263.305 1.355 20 0 CDADMM CCC[C@@H](CC)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590553470 1173461528 /nfs/dbraw/zinc/46/15/28/1173461528.db2.gz DRCKEKLDFBWRLW-SSDOTTSWSA-N -1 1 263.305 1.355 20 0 CDADMM COC[C@@H]1C[N@@H+](Cc2ncccc2O)C[C@@H](C)O1 ZINC000564378883 293350384 /nfs/dbraw/zinc/35/03/84/293350384.db2.gz KEZRNZCDHZIBNA-MNOVXSKESA-N -1 1 252.314 1.023 20 0 CDADMM CCCCCCC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001590589272 1173467995 /nfs/dbraw/zinc/46/79/95/1173467995.db2.gz DBSNLNHIUQBBDL-UHFFFAOYSA-N -1 1 263.305 1.499 20 0 CDADMM CCCC[C@@H](COC)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001590581847 1173469246 /nfs/dbraw/zinc/46/92/46/1173469246.db2.gz OCPPHOALHLANOG-VIFPVBQESA-N -1 1 277.332 1.274 20 0 CDADMM CCCC[C@@H](COC)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001590581847 1173469253 /nfs/dbraw/zinc/46/92/53/1173469253.db2.gz OCPPHOALHLANOG-VIFPVBQESA-N -1 1 277.332 1.274 20 0 CDADMM CCCC[C@@](C)(CO)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590574022 1173469476 /nfs/dbraw/zinc/46/94/76/1173469476.db2.gz RWPWPBWRVNZWTO-ZDUSSCGKSA-N -1 1 276.344 1.615 20 0 CDADMM CCCC[C@@](C)(CO)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590574022 1173469481 /nfs/dbraw/zinc/46/94/81/1173469481.db2.gz RWPWPBWRVNZWTO-ZDUSSCGKSA-N -1 1 276.344 1.615 20 0 CDADMM CO[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccnc2)C1 ZINC000570403807 294232678 /nfs/dbraw/zinc/23/26/78/294232678.db2.gz UWANMBITSXGRKV-NWDGAFQWSA-N -1 1 250.298 1.318 20 0 CDADMM O=C([O-])C[C@H]1CSCCN1CCOCC(F)F ZINC000574762981 295051345 /nfs/dbraw/zinc/05/13/45/295051345.db2.gz CUFPPGLKIWAVDW-QMMMGPOBSA-N -1 1 269.313 1.160 20 0 CDADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC000263364209 297215754 /nfs/dbraw/zinc/21/57/54/297215754.db2.gz SRXUYIKMKBNJHW-PSASIEDQSA-N -1 1 288.307 1.141 20 0 CDADMM CN(Cc1nc(-c2nnn[n-]2)cs1)Cc1ccncc1 ZINC001591150437 1173582115 /nfs/dbraw/zinc/58/21/15/1173582115.db2.gz ZXLNNCRNAJBJJF-UHFFFAOYSA-N -1 1 287.352 1.350 20 0 CDADMM CN(Cc1nc(-c2nn[n-]n2)cs1)Cc1ccncc1 ZINC001591150437 1173582121 /nfs/dbraw/zinc/58/21/21/1173582121.db2.gz ZXLNNCRNAJBJJF-UHFFFAOYSA-N -1 1 287.352 1.350 20 0 CDADMM COC[C@@H](OC(=O)c1csc(-c2nnn[n-]2)c1)C(C)C ZINC001591381374 1173638069 /nfs/dbraw/zinc/63/80/69/1173638069.db2.gz VLYOTGLXDCQVTD-SECBINFHSA-N -1 1 296.352 1.756 20 0 CDADMM COC[C@@H](OC(=O)c1csc(-c2nn[n-]n2)c1)C(C)C ZINC001591381374 1173638075 /nfs/dbraw/zinc/63/80/75/1173638075.db2.gz VLYOTGLXDCQVTD-SECBINFHSA-N -1 1 296.352 1.756 20 0 CDADMM [O-]c1ccc(F)cc1-c1nc(Cn2cncn2)no1 ZINC000350566745 316178510 /nfs/dbraw/zinc/17/85/10/316178510.db2.gz PSFQASXDQPSIJP-UHFFFAOYSA-N -1 1 261.216 1.221 20 0 CDADMM CCc1nc(SCCCCC(N)=O)[n-]c(=O)c1C ZINC000563440630 316311409 /nfs/dbraw/zinc/31/14/09/316311409.db2.gz NBYSQJVKMRNXDK-UHFFFAOYSA-N -1 1 269.370 1.801 20 0 CDADMM CCOC(=O)[C@@H]1CSCCN1Cc1ncccc1[O-] ZINC000564006318 316412492 /nfs/dbraw/zinc/41/24/92/316412492.db2.gz UFPNIHXKZJXITN-NSHDSACASA-N -1 1 282.365 1.268 20 0 CDADMM Cn1cc([C@H]2N(C(=O)c3cncc([O-])c3)CC2(C)C)cn1 ZINC000569817900 316855788 /nfs/dbraw/zinc/85/57/88/316855788.db2.gz DVNNSGPFTHEPMF-CYBMUJFWSA-N -1 1 286.335 1.744 20 0 CDADMM CCC[C@@H]1CCCCN1Cc1cn(CC(=O)[O-])nn1 ZINC000577117969 317269197 /nfs/dbraw/zinc/26/91/97/317269197.db2.gz JCHIEKIVNAEDPH-GFCCVEGCSA-N -1 1 266.345 1.517 20 0 CDADMM CCOCCNC(=O)CSc1nc(CC)c(C)c(=O)[n-]1 ZINC000578083847 317469064 /nfs/dbraw/zinc/46/90/64/317469064.db2.gz HBRJAJHXRSJDHQ-UHFFFAOYSA-N -1 1 299.396 1.298 20 0 CDADMM C[C@@H](CN=c1nc(C2CCCC2)[n-]s1)S(C)(=O)=O ZINC000578230282 317496403 /nfs/dbraw/zinc/49/64/03/317496403.db2.gz RULFGUJTTQTITJ-QMMMGPOBSA-N -1 1 289.426 1.463 20 0 CDADMM Cc1ccc(NC[C@@H](C)CCCO)nc1-c1nnn[n-]1 ZINC001592183148 1173826943 /nfs/dbraw/zinc/82/69/43/1173826943.db2.gz NXEFAULNGQPACF-VIFPVBQESA-N -1 1 276.344 1.391 20 0 CDADMM Cc1ccc(NC[C@@H](C)CCCO)nc1-c1nn[n-]n1 ZINC001592183148 1173826949 /nfs/dbraw/zinc/82/69/49/1173826949.db2.gz NXEFAULNGQPACF-VIFPVBQESA-N -1 1 276.344 1.391 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@@H]1O ZINC000387839368 323777951 /nfs/dbraw/zinc/77/79/51/323777951.db2.gz FJMHZBUVLGTTMV-HQJQHLMTSA-N -1 1 255.701 1.498 20 0 CDADMM Cc1nc(Sc2ccncc2)cc(-c2nnn[n-]2)n1 ZINC001592399875 1173880962 /nfs/dbraw/zinc/88/09/62/1173880962.db2.gz YEEVVXJNRCRTNB-UHFFFAOYSA-N -1 1 271.309 1.511 20 0 CDADMM Cc1nc(Sc2ccncc2)cc(-c2nn[n-]n2)n1 ZINC001592399875 1173880965 /nfs/dbraw/zinc/88/09/65/1173880965.db2.gz YEEVVXJNRCRTNB-UHFFFAOYSA-N -1 1 271.309 1.511 20 0 CDADMM Cc1nc(Sc2cncc(-c3nnn[n-]3)n2)[nH]c1C ZINC001592399437 1173880870 /nfs/dbraw/zinc/88/08/70/1173880870.db2.gz HIXMNSJVATYQJW-UHFFFAOYSA-N -1 1 274.313 1.148 20 0 CDADMM Cc1nc(Sc2cncc(-c3nn[n-]n3)n2)[nH]c1C ZINC001592399437 1173880872 /nfs/dbraw/zinc/88/08/72/1173880872.db2.gz HIXMNSJVATYQJW-UHFFFAOYSA-N -1 1 274.313 1.148 20 0 CDADMM Cn1cc(-c2cc(CNC3(C(=O)[O-])CCCC3)on2)cn1 ZINC000581769563 324832455 /nfs/dbraw/zinc/83/24/55/324832455.db2.gz NYOGKXVLAMBVLX-UHFFFAOYSA-N -1 1 290.323 1.562 20 0 CDADMM CCO[C@H]1C[C@H]1NC(=O)c1cc(Cl)ccc1[O-] ZINC000582585295 325003237 /nfs/dbraw/zinc/00/32/37/325003237.db2.gz VRYJUHNVSVTZTI-KOLCDFICSA-N -1 1 255.701 1.953 20 0 CDADMM Cc1nsc(NC(=O)C2(C)CCC2)c1-c1nnn[n-]1 ZINC001592480489 1173898709 /nfs/dbraw/zinc/89/87/09/1173898709.db2.gz XXMQGHCMUALXFE-UHFFFAOYSA-N -1 1 278.341 1.760 20 0 CDADMM Cc1nsc(NC(=O)C2(C)CCC2)c1-c1nn[n-]n1 ZINC001592480489 1173898717 /nfs/dbraw/zinc/89/87/17/1173898717.db2.gz XXMQGHCMUALXFE-UHFFFAOYSA-N -1 1 278.341 1.760 20 0 CDADMM C[C@@H](CC(=O)[O-])N(C)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000583274799 325144364 /nfs/dbraw/zinc/14/43/64/325144364.db2.gz QAKBIUNJEZQOKS-QMMMGPOBSA-N -1 1 277.280 1.605 20 0 CDADMM Cc1nsc(NC(=O)C2(CCF)CC2)c1-c1nnn[n-]1 ZINC001592479842 1173900665 /nfs/dbraw/zinc/90/06/65/1173900665.db2.gz QNVDEDXCNYJFSJ-UHFFFAOYSA-N -1 1 296.331 1.710 20 0 CDADMM Cc1nsc(NC(=O)C2(CCF)CC2)c1-c1nn[n-]n1 ZINC001592479842 1173900672 /nfs/dbraw/zinc/90/06/72/1173900672.db2.gz QNVDEDXCNYJFSJ-UHFFFAOYSA-N -1 1 296.331 1.710 20 0 CDADMM C[C@@H](C(=O)NCC(F)(F)F)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001603164510 1175505787 /nfs/dbraw/zinc/50/57/87/1175505787.db2.gz QJGCQLXJHRDOIG-HRDYMLBCSA-N -1 1 296.289 1.096 20 0 CDADMM Cc1cc([C@@H](C)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c(C)o1 ZINC001600140777 1174377216 /nfs/dbraw/zinc/37/72/16/1174377216.db2.gz FAPWQQBIJXWWGX-UTLUCORTSA-N -1 1 282.340 1.525 20 0 CDADMM O=C(NC[C@H]1CCCC(=O)N1)c1ccc2ccccc2c1[O-] ZINC000684080770 482636151 /nfs/dbraw/zinc/63/61/51/482636151.db2.gz RWEUIBNDARXHGN-GFCCVEGCSA-N -1 1 298.342 1.944 20 0 CDADMM CC(C)(C)[C@H](NC(=O)c1ccc([O-])c(F)c1)C(N)=O ZINC000681054714 482673652 /nfs/dbraw/zinc/67/36/52/482673652.db2.gz WOHGBADNLDDULF-SNVBAGLBSA-N -1 1 268.288 1.161 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CCOC[C@@H]1C1CC1 ZINC000681060426 482678420 /nfs/dbraw/zinc/67/84/20/482678420.db2.gz WKBXWSLHMLFKNE-GFCCVEGCSA-N -1 1 265.284 1.782 20 0 CDADMM CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681063443 482679791 /nfs/dbraw/zinc/67/97/91/482679791.db2.gz YYEAQDNXPCSIQO-GXSJLCMTSA-N -1 1 280.299 1.176 20 0 CDADMM CC(C)(C(=O)N1CCC[C@H](c2nn[n-]n2)C1)C(F)F ZINC000684292030 482743980 /nfs/dbraw/zinc/74/39/80/482743980.db2.gz JPWIQABVMQDIES-ZETCQYMHSA-N -1 1 273.287 1.197 20 0 CDADMM CC(C)(CO)CNC(=O)c1c(F)ccc([O-])c1F ZINC000685451703 483129827 /nfs/dbraw/zinc/12/98/27/483129827.db2.gz ICSHOWRELADCAG-UHFFFAOYSA-N -1 1 259.252 1.419 20 0 CDADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H](C)c1ccncc1 ZINC000685501872 483151213 /nfs/dbraw/zinc/15/12/13/483151213.db2.gz LDPIQMLRVHEMBL-MRVPVSSYSA-N -1 1 296.352 1.042 20 0 CDADMM COC[C@H](C)CNC(=O)c1ncc2ccccc2c1[O-] ZINC000667269702 483189732 /nfs/dbraw/zinc/18/97/32/483189732.db2.gz KHHTZGLHADBSCI-SNVBAGLBSA-N -1 1 274.320 1.953 20 0 CDADMM NC(=O)C[C@@H]1CCCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000671547600 483214647 /nfs/dbraw/zinc/21/46/47/483214647.db2.gz CCTWDGLHQUJWQW-SNVBAGLBSA-N -1 1 294.326 1.649 20 0 CDADMM CCN(C)C(=O)[C@@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000682817989 483357314 /nfs/dbraw/zinc/35/73/14/483357314.db2.gz AKAGCFIYIAFUML-MRVPVSSYSA-N -1 1 268.288 1.128 20 0 CDADMM O=C([N-]c1cnns1)c1noc(-c2cccc(F)c2)n1 ZINC000682825182 483358095 /nfs/dbraw/zinc/35/80/95/483358095.db2.gz XDMSWOVKMCQUDA-UHFFFAOYSA-N -1 1 291.267 1.980 20 0 CDADMM CN(CC(=O)[O-])C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000679538673 483381676 /nfs/dbraw/zinc/38/16/76/483381676.db2.gz UACDDXBTYKWVHG-LLVKDONJSA-N -1 1 295.339 1.143 20 0 CDADMM CCCC[C@H](NC(=O)[C@H]1CCCc2[nH]ncc21)C(=O)[O-] ZINC000680362899 483596695 /nfs/dbraw/zinc/59/66/95/483596695.db2.gz MVPRXYFMHYBDRH-CABZTGNLSA-N -1 1 279.340 1.589 20 0 CDADMM COc1cccc([C@H](C)OCC[P@](=O)([O-])O)c1 ZINC001224606803 1160782155 /nfs/dbraw/zinc/78/21/55/1160782155.db2.gz SEWQQAKFISBZIN-VIFPVBQESA-N -1 1 260.226 1.951 20 0 CDADMM C[C@H](NCc1ccoc1C(=O)[O-])C(=O)NC(C)(C)C ZINC000235519579 1178238861 /nfs/dbraw/zinc/23/88/61/1178238861.db2.gz BTWPOUWHVOSZCI-QMMMGPOBSA-N -1 1 268.313 1.371 20 0 CDADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC1CCC(C)CC1 ZINC000416138716 518127471 /nfs/dbraw/zinc/12/74/71/518127471.db2.gz YUAXDAQIWFWDAC-UHFFFAOYSA-N -1 1 295.339 1.453 20 0 CDADMM CCC[C@@H](C)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000339190373 520602874 /nfs/dbraw/zinc/60/28/74/520602874.db2.gz YUXWWUJJBITZIJ-SECBINFHSA-N -1 1 267.329 1.917 20 0 CDADMM CC[C@@H](C)N1CCN(c2ncc(C(=O)[O-])s2)CC1 ZINC000055076397 522136529 /nfs/dbraw/zinc/13/65/29/522136529.db2.gz UEHUKKSBGQHMNV-SECBINFHSA-N -1 1 269.370 1.762 20 0 CDADMM COc1cc(O)cc([N-]S(=O)(=O)C[C@@H](C)OC)c1 ZINC000337877754 522784160 /nfs/dbraw/zinc/78/41/60/522784160.db2.gz VVIWDBKPVXXGLF-MRVPVSSYSA-N -1 1 275.326 1.177 20 0 CDADMM C[C@@H](CN(C)C(=O)c1cccc(F)c1F)c1nn[n-]n1 ZINC000183436128 524568781 /nfs/dbraw/zinc/56/87/81/524568781.db2.gz OSFCMFCRCJVKPK-ZETCQYMHSA-N -1 1 281.266 1.354 20 0 CDADMM C[C@H](C[S@@](C)=O)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000183201695 524670276 /nfs/dbraw/zinc/67/02/76/524670276.db2.gz QJBZTOYBFZCFCN-IWEMQMMOSA-N -1 1 297.348 1.010 20 0 CDADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1nncn1C ZINC000050420576 525325300 /nfs/dbraw/zinc/32/53/00/525325300.db2.gz BTOJEDRINNEJOM-SSDOTTSWSA-N -1 1 280.715 1.665 20 0 CDADMM Cc1cc(CN[C@H](C)c2cnn(C)c2C)[nH]c1C(=O)[O-] ZINC001600203479 1174405560 /nfs/dbraw/zinc/40/55/60/1174405560.db2.gz LUFAOUWEDHOYEQ-SECBINFHSA-N -1 1 276.340 1.914 20 0 CDADMM O=S(=O)([N-][C@H]1CCOC1)c1cc(Cl)ccc1F ZINC000340882321 527244068 /nfs/dbraw/zinc/24/40/68/527244068.db2.gz LORNEAASCZOHDE-QMMMGPOBSA-N -1 1 279.720 1.546 20 0 CDADMM Cn1cccc1C(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067079801 527388320 /nfs/dbraw/zinc/38/83/20/527388320.db2.gz TZADHPPZJQXUQK-UHFFFAOYSA-N -1 1 291.380 1.587 20 0 CDADMM COc1cc(C(=O)Nc2cn(C)nn2)cc(Cl)c1[O-] ZINC000428551877 536536218 /nfs/dbraw/zinc/53/62/18/536536218.db2.gz UEVWNMKCNWFXNT-UHFFFAOYSA-N -1 1 282.687 1.435 20 0 CDADMM Cc1cc(NC(=O)N2CCN[C@@H](C)C2)ccc1C(=O)[O-] ZINC001600263945 1174428776 /nfs/dbraw/zinc/42/87/76/1174428776.db2.gz OZWHOKUSIGTWHS-JTQLQIEISA-N -1 1 277.324 1.519 20 0 CDADMM Cc1cc(NC(=O)N2CCNC(C)(C)C2)cc(C(=O)[O-])c1 ZINC001600264230 1174428783 /nfs/dbraw/zinc/42/87/83/1174428783.db2.gz SIFCSIGCCMZZFS-UHFFFAOYSA-N -1 1 291.351 1.909 20 0 CDADMM CC[C@H](C)[C@H](NC(=O)c1ncc(C)cc1[O-])C(=O)OC ZINC000426450208 535974511 /nfs/dbraw/zinc/97/45/11/535974511.db2.gz XCZHHBHPJLXJFK-ONGXEEELSA-N -1 1 280.324 1.413 20 0 CDADMM CCc1cc(C(=O)N(C)C2(C(=O)[O-])CCCCC2)n[nH]1 ZINC000191301767 536097805 /nfs/dbraw/zinc/09/78/05/536097805.db2.gz ZLUHWSACZZWCPW-UHFFFAOYSA-N -1 1 279.340 1.832 20 0 CDADMM CCn1nccc1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000129474279 538334673 /nfs/dbraw/zinc/33/46/73/538334673.db2.gz OVORHUSDPOCIGG-UHFFFAOYSA-N -1 1 283.295 1.335 20 0 CDADMM Cc1ccc(CN2CCCN(C(N)=O)CC2)cc1C(=O)[O-] ZINC001600412906 1174468157 /nfs/dbraw/zinc/46/81/57/1174468157.db2.gz CCKHJQCNQFWONB-UHFFFAOYSA-N -1 1 291.351 1.280 20 0 CDADMM Cc1ccccc1[C@@H](C(=O)[O-])N(C)Cc1n[nH]c(=O)o1 ZINC001600566694 1174506727 /nfs/dbraw/zinc/50/67/27/1174506727.db2.gz GAZJNDDSMPIAOJ-NSHDSACASA-N -1 1 277.280 1.341 20 0 CDADMM Cc1nc([C@H](C)OC(=O)c2cc(F)cc(C(=O)[O-])c2)n[nH]1 ZINC001600666900 1174555227 /nfs/dbraw/zinc/55/52/27/1174555227.db2.gz HNOMFHMOAZGDSC-LURJTMIESA-N -1 1 293.254 1.868 20 0 CDADMM Cc1nn(CCC(=O)[O-])c(C)c1CN1CC[C@@]12CCOC2 ZINC001600784990 1174609634 /nfs/dbraw/zinc/60/96/34/1174609634.db2.gz UIUHXPHTDGYMQW-HNNXBMFYSA-N -1 1 293.367 1.339 20 0 CDADMM Cc1noc(CN2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)n1 ZINC001600812538 1174623611 /nfs/dbraw/zinc/62/36/11/1174623611.db2.gz JOVHXVJNNHHNMU-GRYCIOLGSA-N -1 1 279.340 1.843 20 0 CDADMM COC[C@H]1CCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000737751589 574446458 /nfs/dbraw/zinc/44/64/58/574446458.db2.gz MIEPUECIECPUOV-NSHDSACASA-N -1 1 292.335 1.292 20 0 CDADMM O=C(C[C@@H]1CCCO1)OCCC[N-]C(=O)C(F)(F)F ZINC000774922757 575251742 /nfs/dbraw/zinc/25/17/42/575251742.db2.gz UCJXUVNRSYKMLW-QMMMGPOBSA-N -1 1 283.246 1.167 20 0 CDADMM Cc1cc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)oc1C(=O)[O-] ZINC000738385427 574529212 /nfs/dbraw/zinc/52/92/12/574529212.db2.gz NKDSKIKMQODOCU-RYUDHWBXSA-N -1 1 296.367 1.173 20 0 CDADMM c1ccc2c(c1)SC[C@H]2Nc1nccnc1-c1nnn[n-]1 ZINC000738441542 574587408 /nfs/dbraw/zinc/58/74/08/574587408.db2.gz KXJIKUPBDSFMSA-SECBINFHSA-N -1 1 297.347 1.916 20 0 CDADMM c1ccc2c(c1)SC[C@H]2Nc1nccnc1-c1nn[n-]n1 ZINC000738441542 574587411 /nfs/dbraw/zinc/58/74/11/574587411.db2.gz KXJIKUPBDSFMSA-SECBINFHSA-N -1 1 297.347 1.916 20 0 CDADMM O=C(Nc1ccccn1)c1ccc2n[n-]c(=S)n2c1 ZINC000774322611 575198892 /nfs/dbraw/zinc/19/88/92/575198892.db2.gz KPDCEVQWQBAUPI-UHFFFAOYSA-N -1 1 271.305 1.665 20 0 CDADMM O=C([O-])[C@H](c1ccsc1)N1CCO[C@@]2(CCOC2)C1 ZINC001601697236 1174950260 /nfs/dbraw/zinc/95/02/60/1174950260.db2.gz MTRDTMQKRLNUEV-AAEUAGOBSA-N -1 1 283.349 1.365 20 0 CDADMM O=C(CC1CCCCC1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000737813843 575043114 /nfs/dbraw/zinc/04/31/14/575043114.db2.gz LCFJLOOIWZBBBA-NSHDSACASA-N -1 1 279.344 1.070 20 0 CDADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCC(F)F ZINC000733452794 575125433 /nfs/dbraw/zinc/12/54/33/575125433.db2.gz BMOJNHOQZYFKGC-UHFFFAOYSA-N -1 1 285.293 1.542 20 0 CDADMM COCCCOC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000733488460 575127223 /nfs/dbraw/zinc/12/72/23/575127223.db2.gz YTTMOQKGCXWEGJ-UHFFFAOYSA-N -1 1 293.323 1.174 20 0 CDADMM O=C([O-])[C@@H]1[C@@H](CN2CCOC3(CCC3)C2)C1(F)F ZINC001601751294 1174986666 /nfs/dbraw/zinc/98/66/66/1174986666.db2.gz UBFLQQIAJLZRDN-BDAKNGLRSA-N -1 1 261.268 1.207 20 0 CDADMM COCCOCC(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744769152 576695876 /nfs/dbraw/zinc/69/58/76/576695876.db2.gz OHXRUHIPKWDBNC-UHFFFAOYSA-N -1 1 296.319 1.344 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCO[C@@H](C)C1 ZINC000770265072 575435964 /nfs/dbraw/zinc/43/59/64/575435964.db2.gz JZNIBAVUBHWDAH-ONGXEEELSA-N -1 1 293.367 1.911 20 0 CDADMM O=C([N-]c1nncn1Cc1ccccc1)c1cccc[n+]1[O-] ZINC000735483121 575475905 /nfs/dbraw/zinc/47/59/05/575475905.db2.gz NEOYLIWKSCBLDJ-UHFFFAOYSA-N -1 1 295.302 1.212 20 0 CDADMM C[C@H](CC1CCCC1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000735987331 575543552 /nfs/dbraw/zinc/54/35/52/575543552.db2.gz YREDKQJHKHRZJF-MRVPVSSYSA-N -1 1 289.343 1.502 20 0 CDADMM O=C(CCc1cccc2c1OCO2)[N-]OCC(F)(F)F ZINC000771417095 575578236 /nfs/dbraw/zinc/57/82/36/575578236.db2.gz WYIAFCQPORSBAJ-UHFFFAOYSA-N -1 1 291.225 1.958 20 0 CDADMM C[C@@H]1C[C@@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736235226 575596757 /nfs/dbraw/zinc/59/67/57/575596757.db2.gz FAGVRNHRIWZKDW-VDTYLAMSSA-N -1 1 250.693 1.735 20 0 CDADMM C[C@@H]1C[C@@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736235226 575596759 /nfs/dbraw/zinc/59/67/59/575596759.db2.gz FAGVRNHRIWZKDW-VDTYLAMSSA-N -1 1 250.693 1.735 20 0 CDADMM C[C@@H]1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@H]1C ZINC000736254098 575604903 /nfs/dbraw/zinc/60/49/03/575604903.db2.gz PWKKSUFWHOWHTE-KXUCPTDWSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@H]1C ZINC000736254098 575604905 /nfs/dbraw/zinc/60/49/05/575604905.db2.gz PWKKSUFWHOWHTE-KXUCPTDWSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736267601 575606341 /nfs/dbraw/zinc/60/63/41/575606341.db2.gz UEIOSFVQWMRYGS-VIFPVBQESA-N -1 1 272.312 1.134 20 0 CDADMM C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736267601 575606343 /nfs/dbraw/zinc/60/63/43/575606343.db2.gz UEIOSFVQWMRYGS-VIFPVBQESA-N -1 1 272.312 1.134 20 0 CDADMM C[C@@H]1c2ccsc2CCN1c1nccnc1-c1nnn[n-]1 ZINC000736306586 575615469 /nfs/dbraw/zinc/61/54/69/575615469.db2.gz XYTJPQJLORLNQT-MRVPVSSYSA-N -1 1 299.363 1.842 20 0 CDADMM C[C@@H]1c2ccsc2CCN1c1nccnc1-c1nn[n-]n1 ZINC000736306586 575615471 /nfs/dbraw/zinc/61/54/71/575615471.db2.gz XYTJPQJLORLNQT-MRVPVSSYSA-N -1 1 299.363 1.842 20 0 CDADMM O=C([O-])[C@H]1CC12CCN(Cc1cc3n(n1)CCC3)CC2 ZINC001601774725 1175000179 /nfs/dbraw/zinc/00/01/79/1175000179.db2.gz KPXPTRXJRXLELP-CYBMUJFWSA-N -1 1 275.352 1.516 20 0 CDADMM C[C@H](CN(C)[C@@H](C)C(=O)Nc1cccnc1Cl)C(=O)[O-] ZINC000736570297 575692366 /nfs/dbraw/zinc/69/23/66/575692366.db2.gz CWBZXXPXDFARSQ-BDAKNGLRSA-N -1 1 299.758 1.715 20 0 CDADMM CCOCCO[N-]C(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000772701048 575738602 /nfs/dbraw/zinc/73/86/02/575738602.db2.gz OFESCKOZRIJLFQ-GFCCVEGCSA-N -1 1 298.383 1.252 20 0 CDADMM C[C@H]1CCN(CC(=O)N(C)c2ccccc2C(=O)[O-])C1 ZINC000736796061 575748909 /nfs/dbraw/zinc/74/89/09/575748909.db2.gz CAPGSYPZIHXWKW-NSHDSACASA-N -1 1 276.336 1.689 20 0 CDADMM CC[C@@](NC(=O)[C@@H]1CCCN1C)(C(=O)[O-])c1ccccc1 ZINC000736907243 575770277 /nfs/dbraw/zinc/77/02/77/575770277.db2.gz QRFOFIJKKVLDGM-BBRMVZONSA-N -1 1 290.363 1.587 20 0 CDADMM O=C(C=Cc1ccco1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000773312909 575800307 /nfs/dbraw/zinc/80/03/07/575800307.db2.gz BMNYBCQKCPUADF-PORFMDCZSA-N -1 1 289.291 1.788 20 0 CDADMM O=C(NC[C@@H](O)c1ccncc1)c1c([O-])cccc1F ZINC000773475289 575814177 /nfs/dbraw/zinc/81/41/77/575814177.db2.gz NDDYLENMVZEVGX-GFCCVEGCSA-N -1 1 276.267 1.390 20 0 CDADMM C/C(=C\C(=O)N(C)C[C@@H](C)c1nn[n-]n1)C(C)(C)C ZINC000773999138 575847718 /nfs/dbraw/zinc/84/77/18/575847718.db2.gz UDQWFVIKYTUGHB-YIXGCBLDSA-N -1 1 265.361 1.754 20 0 CDADMM Cc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737364593 575947568 /nfs/dbraw/zinc/94/75/68/575947568.db2.gz MDGVPAHOHJCFTI-UHFFFAOYSA-N -1 1 281.275 1.789 20 0 CDADMM Cc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737364593 575947570 /nfs/dbraw/zinc/94/75/70/575947570.db2.gz MDGVPAHOHJCFTI-UHFFFAOYSA-N -1 1 281.275 1.789 20 0 CDADMM CN(CCN1CCCC1=O)Cc1ccc(F)cc1C(=O)[O-] ZINC000737440999 575965124 /nfs/dbraw/zinc/96/51/24/575965124.db2.gz KURGMAJPNVRRAY-UHFFFAOYSA-N -1 1 294.326 1.578 20 0 CDADMM CN1CCCN(C(=O)c2cccc(NC(=O)[O-])c2)CC1 ZINC000737516375 575981024 /nfs/dbraw/zinc/98/10/24/575981024.db2.gz AFBLYPFMRLJLEZ-UHFFFAOYSA-N -1 1 277.324 1.554 20 0 CDADMM CN1CCCC[C@H]1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000737518533 575981860 /nfs/dbraw/zinc/98/18/60/575981860.db2.gz QJCJTBBMDWXMAF-NEPJUHHUSA-N -1 1 280.368 1.184 20 0 CDADMM ClC1(Cl)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC000737564859 575992628 /nfs/dbraw/zinc/99/26/28/575992628.db2.gz TYEPAYOMQABHIE-RXMQYKEDSA-N -1 1 286.126 1.262 20 0 CDADMM ClC1(Cl)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC000737564859 575992630 /nfs/dbraw/zinc/99/26/30/575992630.db2.gz TYEPAYOMQABHIE-RXMQYKEDSA-N -1 1 286.126 1.262 20 0 CDADMM CCN(CC)[C@@H](CNC(=O)C1(C(=O)[O-])CC1)c1ccco1 ZINC000737845924 576017389 /nfs/dbraw/zinc/01/73/89/576017389.db2.gz MLJQKYOFHVOWLN-NSHDSACASA-N -1 1 294.351 1.644 20 0 CDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NC1CCC1 ZINC000738436454 576074619 /nfs/dbraw/zinc/07/46/19/576074619.db2.gz IQMBMUHJWYXZHN-UHFFFAOYSA-N -1 1 267.296 1.774 20 0 CDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NC1CCC1 ZINC000738436454 576074620 /nfs/dbraw/zinc/07/46/20/576074620.db2.gz IQMBMUHJWYXZHN-UHFFFAOYSA-N -1 1 267.296 1.774 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(Nc2ccc3c(c2)CCCO3)n1 ZINC000738445580 576076382 /nfs/dbraw/zinc/07/63/82/576076382.db2.gz IZRDRHMEJJESIG-UHFFFAOYSA-N -1 1 295.306 1.725 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(Nc2ccc3c(c2)CCCO3)n1 ZINC000738445580 576076385 /nfs/dbraw/zinc/07/63/85/576076385.db2.gz IZRDRHMEJJESIG-UHFFFAOYSA-N -1 1 295.306 1.725 20 0 CDADMM NC(=O)[C@H](NCCCCC(=O)[O-])c1ccc(F)cc1 ZINC000739147311 576171467 /nfs/dbraw/zinc/17/14/67/576171467.db2.gz BMLFJBQNLWDIIU-GFCCVEGCSA-N -1 1 268.288 1.197 20 0 CDADMM Cc1nonc1CNC(=O)c1ccc([O-])c(F)c1 ZINC000768163406 576262102 /nfs/dbraw/zinc/26/21/02/576262102.db2.gz DJUYLTVDEYRCEL-UHFFFAOYSA-N -1 1 251.217 1.153 20 0 CDADMM COCC(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000768250373 576266480 /nfs/dbraw/zinc/26/64/80/576266480.db2.gz OYIPDZZGMAGAHX-UHFFFAOYSA-N -1 1 298.770 1.336 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc([O-])c(F)c2)CCN1C ZINC000768717172 576304469 /nfs/dbraw/zinc/30/44/69/576304469.db2.gz UGRWFAUHTNYTEF-VIFPVBQESA-N -1 1 252.289 1.307 20 0 CDADMM O=C([O-])CSCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000740487366 576477884 /nfs/dbraw/zinc/47/78/84/576477884.db2.gz LFELWGMIZMJNFY-UHFFFAOYSA-N -1 1 265.294 1.319 20 0 CDADMM Cc1n[n-]cc1S(=O)(=O)Oc1cccc2c1OCCO2 ZINC000760622088 576497608 /nfs/dbraw/zinc/49/76/08/576497608.db2.gz ZCSVLUZFDFZBMS-UHFFFAOYSA-N -1 1 296.304 1.257 20 0 CDADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cncnc1 ZINC000760798707 576510417 /nfs/dbraw/zinc/51/04/17/576510417.db2.gz CUCNWJXSBGYEPD-UHFFFAOYSA-N -1 1 298.254 1.646 20 0 CDADMM CC[C@H]1CCC[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC000740845710 576518247 /nfs/dbraw/zinc/51/82/47/576518247.db2.gz KGIMMHNDZSNGDD-NWDGAFQWSA-N -1 1 293.367 1.012 20 0 CDADMM Cc1nc(SC[C@H]2CC3(CC3)C(=O)O2)[n-]c(=O)c1C ZINC000762968152 576697624 /nfs/dbraw/zinc/69/76/24/576697624.db2.gz BBDGMWZMXAKJSK-SECBINFHSA-N -1 1 280.349 1.987 20 0 CDADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cnsn2)c1 ZINC000744819285 576699365 /nfs/dbraw/zinc/69/93/65/576699365.db2.gz NRFGTGVGVQXVTP-UHFFFAOYSA-N -1 1 292.316 1.846 20 0 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/nfs/dbraw/zinc/13/29/83/605132983.db2.gz ZKRIMCAWBUQKEF-VXGBXAGGSA-N -1 1 290.363 1.940 20 0 CDADMM C[C@H](O)C[C@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000824697438 607737972 /nfs/dbraw/zinc/73/79/72/607737972.db2.gz CQKXLDXCGNQYEN-VHSXEESVSA-N -1 1 274.328 1.001 20 0 CDADMM C[C@H](O)C[C@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000824697438 607737973 /nfs/dbraw/zinc/73/79/73/607737973.db2.gz CQKXLDXCGNQYEN-VHSXEESVSA-N -1 1 274.328 1.001 20 0 CDADMM CC(C)[C@@H](C(=O)Nc1ccc(C(=O)[O-])nc1)N(C)C ZINC000833466155 605256575 /nfs/dbraw/zinc/25/65/75/605256575.db2.gz UKAADYHMKZDKCA-NSHDSACASA-N -1 1 265.313 1.305 20 0 CDADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCOC[C@H]2CC(C)C)O1 ZINC000833580493 605336376 /nfs/dbraw/zinc/33/63/76/605336376.db2.gz QLVXZNYKMIOSSR-OLZOCXBDSA-N -1 1 283.368 1.881 20 0 CDADMM CCCOCCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821128596 606179003 /nfs/dbraw/zinc/17/90/03/606179003.db2.gz XEEALVBKVGNONC-UHFFFAOYSA-N -1 1 282.325 1.512 20 0 CDADMM CCCOCCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821128596 606179004 /nfs/dbraw/zinc/17/90/04/606179004.db2.gz XEEALVBKVGNONC-UHFFFAOYSA-N -1 1 282.325 1.512 20 0 CDADMM Cc1ncsc1CCn1cccc(-c2nn[n-]n2)c1=O ZINC000822481984 606207858 /nfs/dbraw/zinc/20/78/58/606207858.db2.gz IFNRCMXLRUEVEN-UHFFFAOYSA-N -1 1 288.336 1.036 20 0 CDADMM CO[C@H](C)CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821673550 606546247 /nfs/dbraw/zinc/54/62/47/606546247.db2.gz FHLJGDWIBQQQDK-SSDOTTSWSA-N -1 1 281.341 1.083 20 0 CDADMM CO[C@H](C)CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821673550 606546248 /nfs/dbraw/zinc/54/62/48/606546248.db2.gz FHLJGDWIBQQQDK-SSDOTTSWSA-N -1 1 281.341 1.083 20 0 CDADMM C[C@@H]1CSCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820813818 606569150 /nfs/dbraw/zinc/56/91/50/606569150.db2.gz NMPVHUUXIGSMDE-SSDOTTSWSA-N -1 1 295.393 1.506 20 0 CDADMM C[C@@H]1CSCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820813818 606569151 /nfs/dbraw/zinc/56/91/51/606569151.db2.gz NMPVHUUXIGSMDE-SSDOTTSWSA-N -1 1 295.393 1.506 20 0 CDADMM CCC1(CC)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000820958268 606729389 /nfs/dbraw/zinc/72/93/89/606729389.db2.gz UJPUMBSNCUQJJU-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM CCC1(CC)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000820958268 606729391 /nfs/dbraw/zinc/72/93/91/606729391.db2.gz UJPUMBSNCUQJJU-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM O=C(O[C@H]1CCCOC1)c1sccc1-c1nn[n-]n1 ZINC000823393442 606765660 /nfs/dbraw/zinc/76/56/60/606765660.db2.gz XUDVBKIJQKUPET-ZETCQYMHSA-N -1 1 280.309 1.264 20 0 CDADMM CCc1nc(COc2cccc(F)c2-c2nnn[n-]2)no1 ZINC000825744501 607864915 /nfs/dbraw/zinc/86/49/15/607864915.db2.gz BRVUJKUVOMCDSU-UHFFFAOYSA-N -1 1 290.258 1.530 20 0 CDADMM CCc1nc(COc2cccc(F)c2-c2nn[n-]n2)no1 ZINC000825744501 607864916 /nfs/dbraw/zinc/86/49/16/607864916.db2.gz BRVUJKUVOMCDSU-UHFFFAOYSA-N -1 1 290.258 1.530 20 0 CDADMM C[C@H](C[C@H]1CCOC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC000824400335 607901949 /nfs/dbraw/zinc/90/19/49/607901949.db2.gz FNKYCFUPMJWNNC-NXEZZACHSA-N -1 1 274.328 1.489 20 0 CDADMM c1[nH]nc2c1CCC[C@H]2Nc1cccc(-c2nn[n-]n2)n1 ZINC000826517301 607902370 /nfs/dbraw/zinc/90/23/70/607902370.db2.gz YCTHMLMFSPXAAV-SECBINFHSA-N -1 1 282.311 1.474 20 0 CDADMM COc1ccccc1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000826219943 607987821 /nfs/dbraw/zinc/98/78/21/607987821.db2.gz WTBAVVYCSVSFMN-UHFFFAOYSA-N -1 1 297.322 1.302 20 0 CDADMM COc1ccccc1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000826219943 607987822 /nfs/dbraw/zinc/98/78/22/607987822.db2.gz WTBAVVYCSVSFMN-UHFFFAOYSA-N -1 1 297.322 1.302 20 0 CDADMM c1csc(-c2cnc(Cn3ccnc3-c3nnn[n-]3)o2)c1 ZINC000826525868 608013111 /nfs/dbraw/zinc/01/31/11/608013111.db2.gz CEJSZADLPKCRRP-UHFFFAOYSA-N -1 1 299.319 1.828 20 0 CDADMM c1csc(-c2cnc(Cn3ccnc3-c3nn[n-]n3)o2)c1 ZINC000826525868 608013112 /nfs/dbraw/zinc/01/31/12/608013112.db2.gz CEJSZADLPKCRRP-UHFFFAOYSA-N -1 1 299.319 1.828 20 0 CDADMM C[C@@]1(COC(=O)c2ccc(-c3nnn[n-]3)s2)CCOC1 ZINC000824833221 608199515 /nfs/dbraw/zinc/19/95/15/608199515.db2.gz YLMXPLUXAPXKPC-GFCCVEGCSA-N -1 1 294.336 1.512 20 0 CDADMM C[C@@]1(COC(=O)c2ccc(-c3nn[n-]n3)s2)CCOC1 ZINC000824833221 608199517 /nfs/dbraw/zinc/19/95/17/608199517.db2.gz YLMXPLUXAPXKPC-GFCCVEGCSA-N -1 1 294.336 1.512 20 0 CDADMM CC(C)[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC000824216203 608242746 /nfs/dbraw/zinc/24/27/46/608242746.db2.gz OVZOWTCSUKEKDX-MWLCHTKSSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC000824216203 608242748 /nfs/dbraw/zinc/24/27/48/608242748.db2.gz OVZOWTCSUKEKDX-MWLCHTKSSA-N -1 1 289.343 1.272 20 0 CDADMM Cn1ccnc1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826364525 608332047 /nfs/dbraw/zinc/33/20/47/608332047.db2.gz ZEMHOIWPXRZGCQ-UHFFFAOYSA-N -1 1 290.308 1.019 20 0 CDADMM Cn1ccnc1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826364525 608332049 /nfs/dbraw/zinc/33/20/49/608332049.db2.gz ZEMHOIWPXRZGCQ-UHFFFAOYSA-N -1 1 290.308 1.019 20 0 CDADMM Cc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)s1 ZINC000826288444 608400426 /nfs/dbraw/zinc/40/04/26/608400426.db2.gz HICAQDAIUYSWAO-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)s1 ZINC000826288444 608400428 /nfs/dbraw/zinc/40/04/28/608400428.db2.gz HICAQDAIUYSWAO-UHFFFAOYSA-N -1 1 273.325 1.639 20 0 CDADMM Cc1ncc(CN(C)c2ccc(-c3nnn[n-]3)nn2)s1 ZINC000826329780 608402045 /nfs/dbraw/zinc/40/20/45/608402045.db2.gz RGENYKVUILDREX-UHFFFAOYSA-N -1 1 288.340 1.058 20 0 CDADMM Cc1ncc(CN(C)c2ccc(-c3nn[n-]n3)nn2)s1 ZINC000826329780 608402047 /nfs/dbraw/zinc/40/20/47/608402047.db2.gz RGENYKVUILDREX-UHFFFAOYSA-N -1 1 288.340 1.058 20 0 CDADMM CC(C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000824217082 608418721 /nfs/dbraw/zinc/41/87/21/608418721.db2.gz YAKYHQYEWVPLMX-LLVKDONJSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000824217082 608418722 /nfs/dbraw/zinc/41/87/22/608418722.db2.gz YAKYHQYEWVPLMX-LLVKDONJSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)[C@@H](C)Sc1ccc(-c2nnn[n-]2)nn1 ZINC000824193304 608425568 /nfs/dbraw/zinc/42/55/68/608425568.db2.gz WSEORNNAQUKEDH-SSDOTTSWSA-N -1 1 250.331 1.793 20 0 CDADMM CC(C)[C@@H](C)Sc1ccc(-c2nn[n-]n2)nn1 ZINC000824193304 608425570 /nfs/dbraw/zinc/42/55/70/608425570.db2.gz WSEORNNAQUKEDH-SSDOTTSWSA-N -1 1 250.331 1.793 20 0 CDADMM CC(C)C[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824242746 608430780 /nfs/dbraw/zinc/43/07/80/608430780.db2.gz AYMLPDFXICZPPO-NSHDSACASA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)C[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824242746 608430783 /nfs/dbraw/zinc/43/07/83/608430783.db2.gz AYMLPDFXICZPPO-NSHDSACASA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)[C@@H](O)C(C)(C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824199328 608437049 /nfs/dbraw/zinc/43/70/49/608437049.db2.gz IASHPMKIHKUDAA-LLVKDONJSA-N -1 1 291.359 1.112 20 0 CDADMM CC(C)[C@@H](O)C(C)(C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824199328 608437050 /nfs/dbraw/zinc/43/70/50/608437050.db2.gz IASHPMKIHKUDAA-LLVKDONJSA-N -1 1 291.359 1.112 20 0 CDADMM C[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC[C@@H]1C ZINC000824961789 608439940 /nfs/dbraw/zinc/43/99/40/608439940.db2.gz ISBYHSQTLBJIMA-IUCAKERBSA-N -1 1 259.317 1.139 20 0 CDADMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC[C@@H]1C ZINC000824961789 608439942 /nfs/dbraw/zinc/43/99/42/608439942.db2.gz ISBYHSQTLBJIMA-IUCAKERBSA-N -1 1 259.317 1.139 20 0 CDADMM CCCN(Cc1ccc(-c2nnn[n-]2)o1)CC(F)F ZINC000825322983 608660011 /nfs/dbraw/zinc/66/00/11/608660011.db2.gz MTMGADIIGCQICN-UHFFFAOYSA-N -1 1 271.271 1.937 20 0 CDADMM CCCN(Cc1ccc(-c2nn[n-]n2)o1)CC(F)F ZINC000825322983 608660012 /nfs/dbraw/zinc/66/00/12/608660012.db2.gz MTMGADIIGCQICN-UHFFFAOYSA-N -1 1 271.271 1.937 20 0 CDADMM CC[C@H](C)Cn1cc(-c2nn[n-]n2)c(=O)c2nc(C)ccc21 ZINC000825066684 609312671 /nfs/dbraw/zinc/31/26/71/609312671.db2.gz DKCMJVFOOPQBDC-VIFPVBQESA-N -1 1 298.350 1.931 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C[C@H]1F ZINC000824947098 609400468 /nfs/dbraw/zinc/40/04/68/609400468.db2.gz MKEBNOAFIPVSQA-JGVFFNPUSA-N -1 1 295.343 1.748 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C[C@H]1F ZINC000824947098 609400469 /nfs/dbraw/zinc/40/04/69/609400469.db2.gz MKEBNOAFIPVSQA-JGVFFNPUSA-N -1 1 295.343 1.748 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1F ZINC000824947796 609400535 /nfs/dbraw/zinc/40/05/35/609400535.db2.gz RAPGJSYAGYLCHQ-SCZZXKLOSA-N -1 1 290.302 1.082 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1F ZINC000824947796 609400537 /nfs/dbraw/zinc/40/05/37/609400537.db2.gz RAPGJSYAGYLCHQ-SCZZXKLOSA-N -1 1 290.302 1.082 20 0 CDADMM O=C(Cc1ccncc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826423815 609501471 /nfs/dbraw/zinc/50/14/71/609501471.db2.gz ICXFDWJROKDODM-UHFFFAOYSA-N -1 1 296.290 1.149 20 0 CDADMM C[C@@H]1C[C@@H](CCNc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000824885374 609596216 /nfs/dbraw/zinc/59/62/16/609596216.db2.gz SITOBFVWJHYETA-MNOVXSKESA-N -1 1 288.355 1.879 20 0 CDADMM C[C@@H]1C[C@@H](CCNc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000824885374 609596219 /nfs/dbraw/zinc/59/62/19/609596219.db2.gz SITOBFVWJHYETA-MNOVXSKESA-N -1 1 288.355 1.879 20 0 CDADMM C[C@@H]1C[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC000824886169 609596632 /nfs/dbraw/zinc/59/66/32/609596632.db2.gz WIBGJUMTHWMTRC-NXEZZACHSA-N -1 1 289.343 1.274 20 0 CDADMM C[C@@H]1C[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC000824886169 609596635 /nfs/dbraw/zinc/59/66/35/609596635.db2.gz WIBGJUMTHWMTRC-NXEZZACHSA-N -1 1 289.343 1.274 20 0 CDADMM C[C@@]1(C2CC2)COCCN1C(=O)c1cncc([O-])c1 ZINC000890586300 617221330 /nfs/dbraw/zinc/22/13/30/617221330.db2.gz FOTUXBHDBOWZOK-AWEZNQCLSA-N -1 1 262.309 1.428 20 0 CDADMM O=C([N-]OCCOc1ccccc1)[C@@H]1CCOC1 ZINC000889447769 617358140 /nfs/dbraw/zinc/35/81/40/617358140.db2.gz DBZBLBOAJNTGLU-LLVKDONJSA-N -1 1 251.282 1.150 20 0 CDADMM COCc1nc(N[C@H](C)C(=O)NC(C)(C)C)cc(=O)[n-]1 ZINC000892037116 617432319 /nfs/dbraw/zinc/43/23/19/617432319.db2.gz XLIVCDSVQHWJPI-MRVPVSSYSA-N -1 1 282.344 1.044 20 0 CDADMM CC[C@H](O)CCC[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000866865831 617436244 /nfs/dbraw/zinc/43/62/44/617436244.db2.gz ROIUWJFBXVLRRO-QMMMGPOBSA-N -1 1 294.323 1.189 20 0 CDADMM CC(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)c1ncccc1[O-] 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1165326873 /nfs/dbraw/zinc/32/68/73/1165326873.db2.gz RJHQQUPRMOXAER-LBPRGKRZSA-N -1 1 291.351 1.011 20 0 CDADMM Cc1ccc2cc(CN3C[C@H](O)C[C@H]3C(=O)[O-])ccc2n1 ZINC001610515990 1165335589 /nfs/dbraw/zinc/33/55/89/1165335589.db2.gz XVNZFZPKHOHTKX-HIFRSBDPSA-N -1 1 286.331 1.563 20 0 CDADMM Cc1cnn([C@@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])cn3)C2)c1 ZINC001610541248 1165347700 /nfs/dbraw/zinc/34/77/00/1165347700.db2.gz AWSOXUYNDNXAIO-CQSZACIVSA-N -1 1 286.335 1.732 20 0 CDADMM Cc1cnn([C@@H]2CCN(Cc3ccc(C(=O)[O-])cn3)C2)c1 ZINC001610541248 1165347702 /nfs/dbraw/zinc/34/77/02/1165347702.db2.gz AWSOXUYNDNXAIO-CQSZACIVSA-N -1 1 286.335 1.732 20 0 CDADMM Clc1cnc2nc(SCc3nn[n-]n3)oc2c1 ZINC001615007559 1165549823 /nfs/dbraw/zinc/54/98/23/1165549823.db2.gz FGRLEQYNFIPPGI-UHFFFAOYSA-N -1 1 268.689 1.682 20 0 CDADMM CN(Cc1nc[nH]n1)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001617956599 1165615365 /nfs/dbraw/zinc/61/53/65/1165615365.db2.gz NEZSXVKEXNBBBT-UHFFFAOYSA-N -1 1 298.302 1.641 20 0 CDADMM CCC(CC)(NC(=O)CC1(C)CC1)c1nn[n-]n1 ZINC001626908545 1165966367 /nfs/dbraw/zinc/96/63/67/1165966367.db2.gz JABPVMIWJJEMQA-UHFFFAOYSA-N -1 1 251.334 1.521 20 0 CDADMM CSc1ncc(C(=O)N[C@H]2CCC2(C)C)c(=O)[n-]1 ZINC001627052824 1165974789 /nfs/dbraw/zinc/97/47/89/1165974789.db2.gz VYAUOSXNCHBWAK-QMMMGPOBSA-N -1 1 267.354 1.823 20 0 CDADMM Cc1cc2ccc(C(=O)N(C)C[C@H](C)c3nn[n-]n3)cn2c1 ZINC001633482811 1166425854 /nfs/dbraw/zinc/42/58/54/1166425854.db2.gz KCOVNHVULHZEKS-NSHDSACASA-N -1 1 298.350 1.637 20 0 CDADMM O=C(Nn1ccnn1)c1cc2sccc2c([O-])c1 ZINC001641152803 1167081919 /nfs/dbraw/zinc/08/19/19/1167081919.db2.gz MZRLOZDDTAYQEV-UHFFFAOYSA-N -1 1 260.278 1.582 20 0 CDADMM O=C(NC1(c2cnccn2)CC1)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155273812 1167112238 /nfs/dbraw/zinc/11/22/38/1167112238.db2.gz XSGMUIRRWNVJBH-UHFFFAOYSA-N -1 1 295.302 1.478 20 0 CDADMM CC(C)c1ncsc1C(=O)Nc1c[n-][nH]c1=O ZINC001641601527 1167122663 /nfs/dbraw/zinc/12/26/63/1167122663.db2.gz SJWXAYWXJYKPFJ-UHFFFAOYSA-N -1 1 252.299 1.948 20 0 CDADMM C[C@H](CC1CCCCC1)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC001645683528 1167465950 /nfs/dbraw/zinc/46/59/50/1167465950.db2.gz YPCDGQJGJDGRBJ-SNVBAGLBSA-N -1 1 281.356 1.758 20 0 CDADMM Cn1cc(S(=O)(=O)[N-]C2(C)CC2)c(C(F)(F)F)n1 ZINC001647206987 1168451453 /nfs/dbraw/zinc/45/14/53/1168451453.db2.gz KFHOGKVPEJGMRZ-UHFFFAOYSA-N -1 1 283.275 1.270 20 0 CDADMM CCn1cnc(Cl)c1CN1CCC[C@H]1CC(=O)[O-] ZINC001573846873 1170803440 /nfs/dbraw/zinc/80/34/40/1170803440.db2.gz DRDXNBMBFQVJEL-VIFPVBQESA-N -1 1 271.748 1.996 20 0 CDADMM CN(CC(=O)[O-])C(=O)C[N@H+]1CCC[C@@]1(C)c1ccccc1 ZINC001573864698 1170810478 /nfs/dbraw/zinc/81/04/78/1170810478.db2.gz LHULHQIVCJGJFU-INIZCTEOSA-N -1 1 290.363 1.541 20 0 CDADMM Cn1cc(Cl)c(CN2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)n1 ZINC001574213423 1170922615 /nfs/dbraw/zinc/92/26/15/1170922615.db2.gz HIRXNDCJHHWSAQ-VHSKPIJISA-N -1 1 269.732 1.226 20 0 CDADMM N[C@@H](C(=O)[N-]OCCOc1ccccc1)c1ccccc1 ZINC001574262919 1170931830 /nfs/dbraw/zinc/93/18/30/1170931830.db2.gz SENDNVOPJIKDEE-OAHLLOKOSA-N -1 1 286.331 1.813 20 0 CDADMM O=C([O-])[C@H](NC(=O)CCN1CC[C@H](F)C1)c1ccccc1 ZINC001574293419 1170943385 /nfs/dbraw/zinc/94/33/85/1170943385.db2.gz IHFQUJFZDITDKJ-GXTWGEPZSA-N -1 1 294.326 1.362 20 0 CDADMM Cc1noc([N-]C(=O)c2nn(C)c(C)c2Cl)n1 ZINC001650717477 1171252904 /nfs/dbraw/zinc/25/29/04/1171252904.db2.gz RXPZPAYAZKUTLN-UHFFFAOYSA-N -1 1 255.665 1.326 20 0 CDADMM Cc1noc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1C ZINC001581637656 1172617724 /nfs/dbraw/zinc/61/77/24/1172617724.db2.gz URKPXADZBPTJNB-UHFFFAOYSA-N -1 1 274.240 1.317 20 0 CDADMM Fc1ccc(OCCc2ccns2)c(-c2nnn[n-]2)n1 ZINC001581854476 1172625193 /nfs/dbraw/zinc/62/51/93/1172625193.db2.gz ZJKHRCCUSTVYNS-UHFFFAOYSA-N -1 1 292.299 1.479 20 0 CDADMM Fc1ccc(OCCc2ccns2)c(-c2nn[n-]n2)n1 ZINC001581854476 1172625194 /nfs/dbraw/zinc/62/51/94/1172625194.db2.gz ZJKHRCCUSTVYNS-UHFFFAOYSA-N -1 1 292.299 1.479 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1ccco1 ZINC001582551448 1172682582 /nfs/dbraw/zinc/68/25/82/1172682582.db2.gz KQVDSOKFZSHTOD-UHFFFAOYSA-N -1 1 275.293 1.451 20 0 CDADMM c1ccc([C@@H]2C[C@H]2Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001582819548 1172697763 /nfs/dbraw/zinc/69/77/63/1172697763.db2.gz WZAVNBGHLJXUTP-WDEREUQCSA-N -1 1 279.307 1.047 20 0 CDADMM C1=CCC(Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001588386702 1173058945 /nfs/dbraw/zinc/05/89/45/1173058945.db2.gz OLZMBPCDGFQVHY-UHFFFAOYSA-N -1 1 269.312 1.665 20 0 CDADMM C1=CCC(Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001588386702 1173058950 /nfs/dbraw/zinc/05/89/50/1173058950.db2.gz OLZMBPCDGFQVHY-UHFFFAOYSA-N -1 1 269.312 1.665 20 0 CDADMM CC(C)[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001589476231 1173148611 /nfs/dbraw/zinc/14/86/11/1173148611.db2.gz PEHYOULNYXEYDZ-SECBINFHSA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001589476231 1173148615 /nfs/dbraw/zinc/14/86/15/1173148615.db2.gz PEHYOULNYXEYDZ-SECBINFHSA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)[C@@H]1[C@@H](C(C)C)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001589519413 1173154722 /nfs/dbraw/zinc/15/47/22/1173154722.db2.gz XWGPGVBYDQGRAI-ZWNOBZJWSA-N -1 1 287.371 1.774 20 0 CDADMM CC(C)[C@@H]1[C@@H](C(C)C)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001589519413 1173154726 /nfs/dbraw/zinc/15/47/26/1173154726.db2.gz XWGPGVBYDQGRAI-ZWNOBZJWSA-N -1 1 287.371 1.774 20 0 CDADMM CC(C)Cc1ccc(Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001589662975 1173166337 /nfs/dbraw/zinc/16/63/37/1173166337.db2.gz HMMCIUIJIGRZAC-UHFFFAOYSA-N -1 1 283.339 1.705 20 0 CDADMM CC(C)c1ccc(Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001589768989 1173176021 /nfs/dbraw/zinc/17/60/21/1173176021.db2.gz UZIHSSNUBMYYKO-UHFFFAOYSA-N -1 1 281.323 1.946 20 0 CDADMM CC(C)n1cnnc1CN(C)c1cccc(-c2nnn[n-]2)n1 ZINC001589784108 1173179334 /nfs/dbraw/zinc/17/93/34/1173179334.db2.gz BITYBXPBBNZTPZ-UHFFFAOYSA-N -1 1 299.342 1.071 20 0 CDADMM CC(C)n1cnnc1CN(C)c1cccc(-c2nn[n-]n2)n1 ZINC001589784108 1173179338 /nfs/dbraw/zinc/17/93/38/1173179338.db2.gz BITYBXPBBNZTPZ-UHFFFAOYSA-N -1 1 299.342 1.071 20 0 CDADMM C[C@@H](CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccncc1 ZINC001589794012 1173180912 /nfs/dbraw/zinc/18/09/12/1173180912.db2.gz FEFNIFJHHHEBTB-QMMMGPOBSA-N -1 1 298.310 1.117 20 0 CDADMM C[C@@H](CC(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccncc1 ZINC001589794012 1173180920 /nfs/dbraw/zinc/18/09/20/1173180920.db2.gz FEFNIFJHHHEBTB-QMMMGPOBSA-N -1 1 298.310 1.117 20 0 CDADMM C[C@@H](C[C@H]1CCOC1)OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589803026 1173185704 /nfs/dbraw/zinc/18/57/04/1173185704.db2.gz MXEJVXGZAVOMJQ-DTWKUNHWSA-N -1 1 292.295 1.432 20 0 CDADMM C[C@@H](CNC(=O)c1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001589865372 1173190025 /nfs/dbraw/zinc/19/00/25/1173190025.db2.gz SRSBLAKIIQTJBQ-QMMMGPOBSA-N -1 1 272.312 1.038 20 0 CDADMM C[C@@H](CNC(=O)c1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001589865372 1173190028 /nfs/dbraw/zinc/19/00/28/1173190028.db2.gz SRSBLAKIIQTJBQ-QMMMGPOBSA-N -1 1 272.312 1.038 20 0 CDADMM C[C@H](CNc1ncncc1-c1nn[n-]n1)c1ccccn1 ZINC001589880636 1173193111 /nfs/dbraw/zinc/19/31/11/1173193111.db2.gz KWVYQFKSSQYHJH-SECBINFHSA-N -1 1 282.311 1.267 20 0 CDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)CC(F)F ZINC001589879390 1173193638 /nfs/dbraw/zinc/19/36/38/1173193638.db2.gz ONTUEPYNWFELHP-LURJTMIESA-N -1 1 269.259 1.360 20 0 CDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)CC(F)F ZINC001589879390 1173193642 /nfs/dbraw/zinc/19/36/42/1173193642.db2.gz ONTUEPYNWFELHP-LURJTMIESA-N -1 1 269.259 1.360 20 0 CDADMM CC(F)(F)CCCOc1cnc(-c2nn[n-]n2)nc1 ZINC001589910485 1173201003 /nfs/dbraw/zinc/20/10/03/1173201003.db2.gz MARKMCIKZHJMOT-UHFFFAOYSA-N -1 1 270.243 1.471 20 0 CDADMM C[C@@H](Cn1cc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001589903639 1173201284 /nfs/dbraw/zinc/20/12/84/1173201284.db2.gz CDXVTZPQUMOJGW-VIFPVBQESA-N -1 1 255.285 1.262 20 0 CDADMM CC(F)(F)CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589908226 1173201654 /nfs/dbraw/zinc/20/16/54/1173201654.db2.gz MAJFLKSTPYKWLE-UHFFFAOYSA-N -1 1 281.270 1.601 20 0 CDADMM C[C@@H](NCc1csc(-c2nn[n-]n2)c1)C(F)F ZINC001589972711 1173218715 /nfs/dbraw/zinc/21/87/15/1173218715.db2.gz PDLBEEDBUIILHQ-RXMQYKEDSA-N -1 1 259.285 1.671 20 0 CDADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccns1 ZINC001589983628 1173221815 /nfs/dbraw/zinc/22/18/15/1173221815.db2.gz GCWRZKGQWLMUGT-SSDOTTSWSA-N -1 1 273.325 1.891 20 0 CDADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccns1 ZINC001589983628 1173221820 /nfs/dbraw/zinc/22/18/20/1173221820.db2.gz GCWRZKGQWLMUGT-SSDOTTSWSA-N -1 1 273.325 1.891 20 0 CDADMM C[C@H](OC(=O)c1coc(-c2nnn[n-]2)c1)C(F)F ZINC001590015259 1173232796 /nfs/dbraw/zinc/23/27/96/1173232796.db2.gz ZMMLLURPMLQFIU-BYPYZUCNSA-N -1 1 258.184 1.270 20 0 CDADMM C[C@H](OC(=O)c1coc(-c2nn[n-]n2)c1)C(F)F ZINC001590015259 1173232805 /nfs/dbraw/zinc/23/28/05/1173232805.db2.gz ZMMLLURPMLQFIU-BYPYZUCNSA-N -1 1 258.184 1.270 20 0 CDADMM C[C@H](SCc1ccc(-c2nnn[n-]2)o1)C(=O)NC1CC1 ZINC001590032839 1173235122 /nfs/dbraw/zinc/23/51/22/1173235122.db2.gz GAOMDGOVVBFUJI-ZETCQYMHSA-N -1 1 293.352 1.360 20 0 CDADMM C[C@H](SCc1ccc(-c2nn[n-]n2)o1)C(=O)NC1CC1 ZINC001590032839 1173235128 /nfs/dbraw/zinc/23/51/28/1173235128.db2.gz GAOMDGOVVBFUJI-ZETCQYMHSA-N -1 1 293.352 1.360 20 0 CDADMM C[C@H](Sc1cccnc1-c1nnn[n-]1)c1cnccn1 ZINC001590035097 1173236330 /nfs/dbraw/zinc/23/63/30/1173236330.db2.gz BGWFIFIYUQXIMK-QMMMGPOBSA-N -1 1 285.336 1.905 20 0 CDADMM C[C@H](Sc1cccnc1-c1nn[n-]n1)c1cnccn1 ZINC001590035097 1173236334 /nfs/dbraw/zinc/23/63/34/1173236334.db2.gz BGWFIFIYUQXIMK-QMMMGPOBSA-N -1 1 285.336 1.905 20 0 CDADMM C[C@]1(C(=O)Nc2ncc(-c3nnn[n-]3)s2)C[C@H]2C[C@H]2C1 ZINC001590070950 1173242875 /nfs/dbraw/zinc/24/28/75/1173242875.db2.gz OOBQLHWUFWRHOF-IYOMYWLESA-N -1 1 290.352 1.698 20 0 CDADMM C[C@]1(C(=O)Nc2ncc(-c3nn[n-]n3)s2)C[C@H]2C[C@H]2C1 ZINC001590070950 1173242879 /nfs/dbraw/zinc/24/28/79/1173242879.db2.gz OOBQLHWUFWRHOF-IYOMYWLESA-N -1 1 290.352 1.698 20 0 CDADMM CC1(C)CCC[C@H](Cn2ccnc2-c2nnn[n-]2)O1 ZINC001590094784 1173253856 /nfs/dbraw/zinc/25/38/56/1173253856.db2.gz SVYVYHKMLLRYNM-SECBINFHSA-N -1 1 262.317 1.411 20 0 CDADMM CC1(C)CCC[C@H](Cn2ccnc2-c2nn[n-]n2)O1 ZINC001590094784 1173253858 /nfs/dbraw/zinc/25/38/58/1173253858.db2.gz SVYVYHKMLLRYNM-SECBINFHSA-N -1 1 262.317 1.411 20 0 CDADMM CC1(C)CO[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001590110771 1173258519 /nfs/dbraw/zinc/25/85/19/1173258519.db2.gz HOGBNTUTDRIYMK-SECBINFHSA-N -1 1 289.343 1.274 20 0 CDADMM CC1(C)CO[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001590110771 1173258524 /nfs/dbraw/zinc/25/85/24/1173258524.db2.gz HOGBNTUTDRIYMK-SECBINFHSA-N -1 1 289.343 1.274 20 0 CDADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)CC(C)(C)C1 ZINC001590109054 1173259703 /nfs/dbraw/zinc/25/97/03/1173259703.db2.gz NZRSUGXCYWESAS-UHFFFAOYSA-N -1 1 287.371 1.919 20 0 CDADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)CC(C)(C)C1 ZINC001590109054 1173259708 /nfs/dbraw/zinc/25/97/08/1173259708.db2.gz NZRSUGXCYWESAS-UHFFFAOYSA-N -1 1 287.371 1.919 20 0 CDADMM CC1(C)C[C@@H]1NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590113150 1173261731 /nfs/dbraw/zinc/26/17/31/1173261731.db2.gz JHQYYEJHMCUYJD-VIFPVBQESA-N -1 1 273.300 1.182 20 0 CDADMM CC1(C)C[C@@H]1NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590113150 1173261737 /nfs/dbraw/zinc/26/17/37/1173261737.db2.gz JHQYYEJHMCUYJD-VIFPVBQESA-N -1 1 273.300 1.182 20 0 CDADMM CC1(CNc2nc(Cl)c(-c3nnn[n-]3)s2)COC1 ZINC001590135872 1173269692 /nfs/dbraw/zinc/26/96/92/1173269692.db2.gz XYTKJBRFKGCPLQ-UHFFFAOYSA-N -1 1 286.748 1.425 20 0 CDADMM CC1(CNc2nc(Cl)c(-c3nn[n-]n3)s2)COC1 ZINC001590135872 1173269700 /nfs/dbraw/zinc/26/97/00/1173269700.db2.gz XYTKJBRFKGCPLQ-UHFFFAOYSA-N -1 1 286.748 1.425 20 0 CDADMM CC1=C(C)C[C@H](C(=O)Nc2c[nH]nc2-c2nn[n-]n2)CC1 ZINC001590161667 1173277360 /nfs/dbraw/zinc/27/73/60/1173277360.db2.gz ZILIIKHESAEQCO-SECBINFHSA-N -1 1 287.327 1.665 20 0 CDADMM C[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590189845 1173285416 /nfs/dbraw/zinc/28/54/16/1173285416.db2.gz JSCZGYPLDPSCSQ-NXEZZACHSA-N -1 1 286.339 1.061 20 0 CDADMM C[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590189845 1173285420 /nfs/dbraw/zinc/28/54/20/1173285420.db2.gz JSCZGYPLDPSCSQ-NXEZZACHSA-N -1 1 286.339 1.061 20 0 CDADMM C[C@@H]1C[C@@H](C)N(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001590191680 1173287899 /nfs/dbraw/zinc/28/78/99/1173287899.db2.gz RVDCUSMNOWHSPS-RKDXNWHRSA-N -1 1 287.327 1.524 20 0 CDADMM C[C@@H]1C[C@@H](C)N(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001590191680 1173287903 /nfs/dbraw/zinc/28/79/03/1173287903.db2.gz RVDCUSMNOWHSPS-RKDXNWHRSA-N -1 1 287.327 1.524 20 0 CDADMM C[C@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)c2nccn21 ZINC001590208123 1173292738 /nfs/dbraw/zinc/29/27/38/1173292738.db2.gz KXKDKFVPVHEJNU-WCBMZHEXSA-N -1 1 282.311 1.576 20 0 CDADMM C[C@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)c2nccn21 ZINC001590208123 1173292743 /nfs/dbraw/zinc/29/27/43/1173292743.db2.gz KXKDKFVPVHEJNU-WCBMZHEXSA-N -1 1 282.311 1.576 20 0 CDADMM C[C@@H]1C[C@H](Nc2cccnc2-c2nnn[n-]2)CCO1 ZINC001590208558 1173293623 /nfs/dbraw/zinc/29/36/23/1173293623.db2.gz NYDQQDDZVISYMU-RKDXNWHRSA-N -1 1 260.301 1.241 20 0 CDADMM C[C@@H]1C[C@H](Nc2cccnc2-c2nn[n-]n2)CCO1 ZINC001590208558 1173293628 /nfs/dbraw/zinc/29/36/28/1173293628.db2.gz NYDQQDDZVISYMU-RKDXNWHRSA-N -1 1 260.301 1.241 20 0 CDADMM C[C@@H]1CCC[C@@H]1CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001590245855 1173317752 /nfs/dbraw/zinc/31/77/52/1173317752.db2.gz ASJCTUUYYYHFJU-HTQZYQBOSA-N -1 1 275.316 1.112 20 0 CDADMM C[C@@H]1CCC[C@H](C2CN(c3cc(-c4nnn[n-]4)ncn3)C2)C1 ZINC001590244670 1173317920 /nfs/dbraw/zinc/31/79/20/1173317920.db2.gz UAMWAMUXSQRWPV-MNOVXSKESA-N -1 1 299.382 1.919 20 0 CDADMM C[C@@H]1CCC[C@H](C2CN(c3cc(-c4nn[n-]n4)ncn3)C2)C1 ZINC001590244670 1173317925 /nfs/dbraw/zinc/31/79/25/1173317925.db2.gz UAMWAMUXSQRWPV-MNOVXSKESA-N -1 1 299.382 1.919 20 0 CDADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1c1ccccc1 ZINC001590315495 1173350823 /nfs/dbraw/zinc/35/08/23/1173350823.db2.gz MSEPJQQVYCSHOV-ZWNOBZJWSA-N -1 1 293.334 1.854 20 0 CDADMM C[C@@H]1COC[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001590323697 1173354438 /nfs/dbraw/zinc/35/44/38/1173354438.db2.gz ICORVQMBWUJDGA-RFZPGFLSSA-N -1 1 286.748 1.423 20 0 CDADMM C[C@@H]1COC[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001590323697 1173354444 /nfs/dbraw/zinc/35/44/44/1173354444.db2.gz ICORVQMBWUJDGA-RFZPGFLSSA-N -1 1 286.748 1.423 20 0 CDADMM C[C@H]1SCCN(C(=O)c2coc(-c3nnn[n-]3)c2)[C@@H]1C ZINC001590339165 1173365401 /nfs/dbraw/zinc/36/54/01/1173365401.db2.gz WBEGCYMDHGGXPT-HTQZYQBOSA-N -1 1 293.352 1.426 20 0 CDADMM C[C@H]1SCCN(C(=O)c2coc(-c3nn[n-]n3)c2)[C@@H]1C ZINC001590339165 1173365408 /nfs/dbraw/zinc/36/54/08/1173365408.db2.gz WBEGCYMDHGGXPT-HTQZYQBOSA-N -1 1 293.352 1.426 20 0 CDADMM CC[C@@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)OC ZINC001590446013 1173410417 /nfs/dbraw/zinc/41/04/17/1173410417.db2.gz NSQIEEPOMHIUTP-VIFPVBQESA-N -1 1 299.338 1.647 20 0 CDADMM CC[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)OC ZINC001590446013 1173410422 /nfs/dbraw/zinc/41/04/22/1173410422.db2.gz NSQIEEPOMHIUTP-VIFPVBQESA-N -1 1 299.338 1.647 20 0 CDADMM CC[C@@H](CSC)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590448507 1173414734 /nfs/dbraw/zinc/41/47/34/1173414734.db2.gz BZTHBXSJYROJKE-QMMMGPOBSA-N -1 1 292.368 1.133 20 0 CDADMM CC[C@@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001590457397 1173415941 /nfs/dbraw/zinc/41/59/41/1173415941.db2.gz PZDHKFZIMOCWRI-SNVBAGLBSA-N -1 1 287.327 1.572 20 0 CDADMM CC[C@@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001590457397 1173415945 /nfs/dbraw/zinc/41/59/45/1173415945.db2.gz PZDHKFZIMOCWRI-SNVBAGLBSA-N -1 1 287.327 1.572 20 0 CDADMM CC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCOC1 ZINC001590472793 1173424574 /nfs/dbraw/zinc/42/45/74/1173424574.db2.gz HLPGDFZORYCJIP-ZJUUUORDSA-N -1 1 289.343 1.274 20 0 CDADMM CC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCOC1 ZINC001590472793 1173424577 /nfs/dbraw/zinc/42/45/77/1173424577.db2.gz HLPGDFZORYCJIP-ZJUUUORDSA-N -1 1 289.343 1.274 20 0 CDADMM CCC1(COC(=O)c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590496470 1173434759 /nfs/dbraw/zinc/43/47/59/1173434759.db2.gz PMRSVPZHAOZSQJ-UHFFFAOYSA-N -1 1 273.296 1.609 20 0 CDADMM CCC1(COC(=O)c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590496470 1173434766 /nfs/dbraw/zinc/43/47/66/1173434766.db2.gz PMRSVPZHAOZSQJ-UHFFFAOYSA-N -1 1 273.296 1.609 20 0 CDADMM CC[C@H]1[C@H](C)CCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590502534 1173436643 /nfs/dbraw/zinc/43/66/43/1173436643.db2.gz PZYVBENZSOFTOT-SKDRFNHKSA-N -1 1 286.339 1.522 20 0 CDADMM CC[C@H]1[C@H](C)CCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590502534 1173436649 /nfs/dbraw/zinc/43/66/49/1173436649.db2.gz PZYVBENZSOFTOT-SKDRFNHKSA-N -1 1 286.339 1.522 20 0 CDADMM CC[C@@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)C[C@H](C)O1 ZINC001590525534 1173451475 /nfs/dbraw/zinc/45/14/75/1173451475.db2.gz ZHWXWEFGBPMQJY-DTWKUNHWSA-N -1 1 294.384 1.323 20 0 CDADMM CC[C@@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)C[C@H](C)O1 ZINC001590525534 1173451478 /nfs/dbraw/zinc/45/14/78/1173451478.db2.gz ZHWXWEFGBPMQJY-DTWKUNHWSA-N -1 1 294.384 1.323 20 0 CDADMM CCC[C@@H](O)CC(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001590559557 1173464333 /nfs/dbraw/zinc/46/43/33/1173464333.db2.gz HXVUNUYOEKCFLC-MRVPVSSYSA-N -1 1 280.284 1.054 20 0 CDADMM CCC[C@@H](O)CC(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001590559557 1173464337 /nfs/dbraw/zinc/46/43/37/1173464337.db2.gz HXVUNUYOEKCFLC-MRVPVSSYSA-N -1 1 280.284 1.054 20 0 CDADMM CCOC(=O)c1cnn(CC(CC)CC)c1-c1nn[n-]n1 ZINC001590776817 1173507948 /nfs/dbraw/zinc/50/79/48/1173507948.db2.gz WJWYZUXIJBGENM-UHFFFAOYSA-N -1 1 292.343 1.676 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2[C@H](C)CC[C@H]2CC)n1 ZINC001590905064 1173538616 /nfs/dbraw/zinc/53/86/16/1173538616.db2.gz PKSGGRSWTBZARK-NXEZZACHSA-N -1 1 287.371 1.986 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2[C@H](C)CC[C@H]2CC)n1 ZINC001590905064 1173538618 /nfs/dbraw/zinc/53/86/18/1173538618.db2.gz PKSGGRSWTBZARK-NXEZZACHSA-N -1 1 287.371 1.986 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)Cc2ccoc2C)n1 ZINC001590904896 1173539202 /nfs/dbraw/zinc/53/92/02/1173539202.db2.gz JMXHXHZDOCLUIQ-UHFFFAOYSA-N -1 1 299.338 1.757 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)Cc2ccoc2C)n1 ZINC001590904896 1173539208 /nfs/dbraw/zinc/53/92/08/1173539208.db2.gz JMXHXHZDOCLUIQ-UHFFFAOYSA-N -1 1 299.338 1.757 20 0 CDADMM CCc1nc(N[C@@H](C)c2cccnc2)cc(-c2nnn[n-]2)n1 ZINC001590916925 1173542475 /nfs/dbraw/zinc/54/24/75/1173542475.db2.gz NNNYGXALNXJXKJ-VIFPVBQESA-N -1 1 296.338 1.787 20 0 CDADMM CCc1nc(N[C@@H](C)c2cccnc2)cc(-c2nn[n-]n2)n1 ZINC001590916925 1173542480 /nfs/dbraw/zinc/54/24/80/1173542480.db2.gz NNNYGXALNXJXKJ-VIFPVBQESA-N -1 1 296.338 1.787 20 0 CDADMM CN(C(=O)c1coc(-c2nnn[n-]2)c1)c1ccc(F)cn1 ZINC001590998164 1173561402 /nfs/dbraw/zinc/56/14/02/1173561402.db2.gz DWGYRZNREGUCAH-UHFFFAOYSA-N -1 1 288.242 1.270 20 0 CDADMM CN(C(=O)c1coc(-c2nn[n-]n2)c1)c1ccc(F)cn1 ZINC001590998164 1173561408 /nfs/dbraw/zinc/56/14/08/1173561408.db2.gz DWGYRZNREGUCAH-UHFFFAOYSA-N -1 1 288.242 1.270 20 0 CDADMM CO[C@H](Cn1ccnc1-c1nn[n-]n1)c1ccccc1 ZINC001591334199 1173614703 /nfs/dbraw/zinc/61/47/03/1173614703.db2.gz NJXKLEHFZLBXSL-LLVKDONJSA-N -1 1 270.296 1.451 20 0 CDADMM CO[C@H](Cn1ccnc1-c1nnn[n-]1)c1ccccc1 ZINC001591334199 1173614701 /nfs/dbraw/zinc/61/47/01/1173614701.db2.gz NJXKLEHFZLBXSL-LLVKDONJSA-N -1 1 270.296 1.451 20 0 CDADMM COC1(c2noc(-c3cccc(-c4nnn[n-]4)n3)n2)CCC1 ZINC001591346154 1173620062 /nfs/dbraw/zinc/62/00/62/1173620062.db2.gz RQFAAAVHSFYUFZ-UHFFFAOYSA-N -1 1 299.294 1.337 20 0 CDADMM COC1(c2noc(-c3cccc(-c4nn[n-]n4)n3)n2)CCC1 ZINC001591346154 1173620064 /nfs/dbraw/zinc/62/00/64/1173620064.db2.gz RQFAAAVHSFYUFZ-UHFFFAOYSA-N -1 1 299.294 1.337 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H](C)C1 ZINC001591734599 1173694829 /nfs/dbraw/zinc/69/48/29/1173694829.db2.gz JCGLRXXTFKNCPB-NXEZZACHSA-N -1 1 286.339 1.522 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H](C)C1 ZINC001591734599 1173694833 /nfs/dbraw/zinc/69/48/33/1173694833.db2.gz JCGLRXXTFKNCPB-NXEZZACHSA-N -1 1 286.339 1.522 20 0 CDADMM C[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001591769542 1173697427 /nfs/dbraw/zinc/69/74/27/1173697427.db2.gz YULZAXGJAAQPNJ-BYPYZUCNSA-N -1 1 275.190 1.140 20 0 CDADMM C[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001591769542 1173697430 /nfs/dbraw/zinc/69/74/30/1173697430.db2.gz YULZAXGJAAQPNJ-BYPYZUCNSA-N -1 1 275.190 1.140 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H]2CC[C@H]3C[C@H]32)n1 ZINC001591895492 1173740887 /nfs/dbraw/zinc/74/08/87/1173740887.db2.gz MQLQONHXQQUXLY-DCAQKATOSA-N -1 1 285.355 1.813 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H]2CC[C@H]3C[C@H]32)n1 ZINC001591895492 1173740890 /nfs/dbraw/zinc/74/08/90/1173740890.db2.gz MQLQONHXQQUXLY-DCAQKATOSA-N -1 1 285.355 1.813 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H]2C[C@H]2C2CC2)n1 ZINC001591899658 1173743606 /nfs/dbraw/zinc/74/36/06/1173743606.db2.gz QBRVNQDOFMPAOX-MNOVXSKESA-N -1 1 285.355 1.813 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H]2C[C@H]2C2CC2)n1 ZINC001591899658 1173743609 /nfs/dbraw/zinc/74/36/09/1173743609.db2.gz QBRVNQDOFMPAOX-MNOVXSKESA-N -1 1 285.355 1.813 20 0 CDADMM Cc1cc(NC[C@H]2CCO[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001592045035 1173784828 /nfs/dbraw/zinc/78/48/28/1173784828.db2.gz MONLMCUWFUMBQQ-QWRGUYRKSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(NC[C@H]2CCO[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001592045035 1173784836 /nfs/dbraw/zinc/78/48/36/1173784836.db2.gz MONLMCUWFUMBQQ-QWRGUYRKSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(NCCc2cccnc2C)cc(-c2nn[n-]n2)n1 ZINC001592051653 1173786049 /nfs/dbraw/zinc/78/60/49/1173786049.db2.gz ZVXVRFZUCSNZHU-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1cc(NCCCOC(F)F)nc(-c2nnn[n-]2)c1 ZINC001592048694 1173786559 /nfs/dbraw/zinc/78/65/59/1173786559.db2.gz MTUWVLROMNCVOY-UHFFFAOYSA-N -1 1 284.270 1.611 20 0 CDADMM Cc1cc(NCCCOC(F)F)nc(-c2nn[n-]n2)c1 ZINC001592048694 1173786564 /nfs/dbraw/zinc/78/65/64/1173786564.db2.gz MTUWVLROMNCVOY-UHFFFAOYSA-N -1 1 284.270 1.611 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCC1(C)COC1 ZINC001592115054 1173805000 /nfs/dbraw/zinc/80/50/00/1173805000.db2.gz XFLCZDLLBPZQNM-UHFFFAOYSA-N -1 1 260.301 1.019 20 0 CDADMM Cc1ccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1C ZINC001592132266 1173810316 /nfs/dbraw/zinc/81/03/16/1173810316.db2.gz DUKPNYRTPSGVSN-UHFFFAOYSA-N -1 1 297.322 1.469 20 0 CDADMM Cc1ccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1C ZINC001592132266 1173810326 /nfs/dbraw/zinc/81/03/26/1173810326.db2.gz DUKPNYRTPSGVSN-UHFFFAOYSA-N -1 1 297.322 1.469 20 0 CDADMM Cc1ccc(CCNc2cnc(-c3nnn[n-]3)cn2)cc1C ZINC001592151219 1173811697 /nfs/dbraw/zinc/81/16/97/1173811697.db2.gz JIDBLTUYPUIFDN-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(CCNc2cnc(-c3nn[n-]n3)cn2)cc1C ZINC001592151219 1173811701 /nfs/dbraw/zinc/81/17/01/1173811701.db2.gz JIDBLTUYPUIFDN-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(N2CCO[C@@H](C(F)F)C2)c(-c2nnn[n-]2)n1 ZINC001592176084 1173823766 /nfs/dbraw/zinc/82/37/66/1173823766.db2.gz OXGVDUZFDMKCQW-SECBINFHSA-N -1 1 296.281 1.040 20 0 CDADMM Cc1ccc(N2CCO[C@@H](C(F)F)C2)c(-c2nn[n-]n2)n1 ZINC001592176084 1173823767 /nfs/dbraw/zinc/82/37/67/1173823767.db2.gz OXGVDUZFDMKCQW-SECBINFHSA-N -1 1 296.281 1.040 20 0 CDADMM Cc1ccc([C@@H]2C[C@H]2Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001592199264 1173832414 /nfs/dbraw/zinc/83/24/14/1173832414.db2.gz OKTIAWLOCYOWNB-NWDGAFQWSA-N -1 1 293.334 1.355 20 0 CDADMM Cc1cccnc1COC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001592264118 1173838582 /nfs/dbraw/zinc/83/85/82/1173838582.db2.gz OKIGPTPYVHJNBY-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1cccnc1COC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001592264118 1173838589 /nfs/dbraw/zinc/83/85/89/1173838589.db2.gz OKIGPTPYVHJNBY-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1[nH]nc(NC(=O)c2ccc(Cl)o2)c1-c1nn[n-]n1 ZINC001592332685 1173856526 /nfs/dbraw/zinc/85/65/26/1173856526.db2.gz OEQFLOBOPYDTFU-UHFFFAOYSA-N -1 1 293.674 1.397 20 0 CDADMM Cc1[nH]nc(NC(=O)c2ccc(Cl)[nH]2)c1-c1nn[n-]n1 ZINC001592332265 1173856562 /nfs/dbraw/zinc/85/65/62/1173856562.db2.gz CWZXOJZHHIRZIL-UHFFFAOYSA-N -1 1 292.690 1.132 20 0 CDADMM Cc1[nH]nc(NC(=O)Cc2ccsc2)c1-c1nn[n-]n1 ZINC001592330097 1173857830 /nfs/dbraw/zinc/85/78/30/1173857830.db2.gz KKPAWXCDKRLHCR-UHFFFAOYSA-N -1 1 289.324 1.141 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@H](C3CCCC3)C2)n1 ZINC001592337162 1173860387 /nfs/dbraw/zinc/86/03/87/1173860387.db2.gz CXMBBJFATKLGOC-LBPRGKRZSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@H](C3CCCC3)C2)n1 ZINC001592337162 1173860391 /nfs/dbraw/zinc/86/03/91/1173860391.db2.gz CXMBBJFATKLGOC-LBPRGKRZSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@H]2CCO[C@H](C)C2)c1C ZINC001592340618 1173861207 /nfs/dbraw/zinc/86/12/07/1173861207.db2.gz YOTYAVFHAKXQAE-KCJUWKMLSA-N -1 1 276.344 1.495 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@H]2CCO[C@H](C)C2)c1C ZINC001592340618 1173861215 /nfs/dbraw/zinc/86/12/15/1173861215.db2.gz YOTYAVFHAKXQAE-KCJUWKMLSA-N -1 1 276.344 1.495 20 0 CDADMM Cc1ncccc1CCNc1ccnc(-c2nnn[n-]2)c1 ZINC001592417677 1173883562 /nfs/dbraw/zinc/88/35/62/1173883562.db2.gz RXOGNJJHIXHASP-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1ncccc1CCNc1ccnc(-c2nn[n-]n2)c1 ZINC001592417677 1173883566 /nfs/dbraw/zinc/88/35/66/1173883566.db2.gz RXOGNJJHIXHASP-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1nccc(Oc2ccc(F)nc2-c2nn[n-]n2)n1 ZINC001592416247 1173884465 /nfs/dbraw/zinc/88/44/65/1173884465.db2.gz HKSSMRBCAXCLOO-UHFFFAOYSA-N -1 1 273.231 1.292 20 0 CDADMM Cn1c(=O)c2ccccc2n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001592547309 1173919685 /nfs/dbraw/zinc/91/96/85/1173919685.db2.gz SFGYWYFHCGMPMH-UHFFFAOYSA-N -1 1 296.290 1.161 20 0 CDADMM Cn1c(=O)c2ccccc2n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001592547309 1173919695 /nfs/dbraw/zinc/91/96/95/1173919695.db2.gz SFGYWYFHCGMPMH-UHFFFAOYSA-N -1 1 296.290 1.161 20 0 CDADMM FC1(F)CCCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001592628169 1173934780 /nfs/dbraw/zinc/93/47/80/1173934780.db2.gz NVRKWWFJPLMYID-UHFFFAOYSA-N -1 1 280.282 1.887 20 0 CDADMM FC1(F)CCCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001592628169 1173934786 /nfs/dbraw/zinc/93/47/86/1173934786.db2.gz NVRKWWFJPLMYID-UHFFFAOYSA-N -1 1 280.282 1.887 20 0 CDADMM Fc1ccc(OCCOCC2CC2)c(-c2nn[n-]n2)n1 ZINC001592652205 1173952918 /nfs/dbraw/zinc/95/29/18/1173952918.db2.gz XEYRTMZJCZTEEU-UHFFFAOYSA-N -1 1 279.275 1.206 20 0 CDADMM Fc1ccc(CCNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001592648761 1173953667 /nfs/dbraw/zinc/95/36/67/1173953667.db2.gz CQAJYCKRYFVHBR-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM Fc1ccc(CCNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001592648761 1173953671 /nfs/dbraw/zinc/95/36/71/1173953671.db2.gz CQAJYCKRYFVHBR-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)OCc1ccc(-c2nnn[n-]2)o1 ZINC001592819979 1173995326 /nfs/dbraw/zinc/99/53/26/1173995326.db2.gz DWIWSNHWXKSCIZ-YWVKMMECSA-N -1 1 288.307 1.939 20 0 CDADMM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)OCc1ccc(-c2nn[n-]n2)o1 ZINC001592819979 1173995332 /nfs/dbraw/zinc/99/53/32/1173995332.db2.gz DWIWSNHWXKSCIZ-YWVKMMECSA-N -1 1 288.307 1.939 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1C1CC1 ZINC001592913361 1174003375 /nfs/dbraw/zinc/00/33/75/1174003375.db2.gz DGQXRVIFIPRASY-CYBMUJFWSA-N -1 1 298.350 1.205 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1C1CC1 ZINC001592913361 1174003382 /nfs/dbraw/zinc/00/33/82/1174003382.db2.gz DGQXRVIFIPRASY-CYBMUJFWSA-N -1 1 298.350 1.205 20 0 CDADMM O=C(NCC[C@@H]1C[C@H]1C1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593100359 1174022345 /nfs/dbraw/zinc/02/23/45/1174022345.db2.gz BFAWZFSMZHBQHB-PWSUYJOCSA-N -1 1 298.350 1.428 20 0 CDADMM O=C(NCC[C@@H]1C[C@H]1C1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593100359 1174022354 /nfs/dbraw/zinc/02/23/54/1174022354.db2.gz BFAWZFSMZHBQHB-PWSUYJOCSA-N -1 1 298.350 1.428 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CC=CC1 ZINC001593137645 1174023349 /nfs/dbraw/zinc/02/33/49/1174023349.db2.gz MEWIEZJCGDJMNY-UHFFFAOYSA-N -1 1 276.325 1.010 20 0 CDADMM O=C(NOCCC(F)(F)F)c1ccc(-c2nn[n-]n2)o1 ZINC001593168865 1174028315 /nfs/dbraw/zinc/02/83/15/1174028315.db2.gz FOGWDCFLLYWXNK-UHFFFAOYSA-N -1 1 291.189 1.074 20 0 CDADMM O=C([N-]Oc1cccc(-c2nn[nH]n2)c1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001593170125 1174030001 /nfs/dbraw/zinc/03/00/01/1174030001.db2.gz FMNXLZDCXHSYEJ-URLYPYJESA-N -1 1 285.307 1.323 20 0 CDADMM O=C(N[C@@H]1C[C@H]1C1CC1)c1csc(-c2nn[n-]n2)c1 ZINC001593179887 1174030052 /nfs/dbraw/zinc/03/00/52/1174030052.db2.gz AWKCFQNCRMGAAB-DTWKUNHWSA-N -1 1 275.337 1.457 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cncc(F)c1 ZINC001593245474 1174040044 /nfs/dbraw/zinc/04/00/44/1174040044.db2.gz ORQBNEKDJGHOKH-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cncc(F)c1 ZINC001593245474 1174040053 /nfs/dbraw/zinc/04/00/53/1174040053.db2.gz ORQBNEKDJGHOKH-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cc2ccccc2o1 ZINC001593260020 1174043451 /nfs/dbraw/zinc/04/34/51/1174043451.db2.gz IFLDUZNBCKEVQB-UHFFFAOYSA-N -1 1 295.262 1.588 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)C1=CCCC1 ZINC001593267354 1174044111 /nfs/dbraw/zinc/04/41/11/1174044111.db2.gz ATKYLHRQACSVKD-UHFFFAOYSA-N -1 1 262.298 1.372 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)C1=CCCC1 ZINC001593267354 1174044119 /nfs/dbraw/zinc/04/41/19/1174044119.db2.gz ATKYLHRQACSVKD-UHFFFAOYSA-N -1 1 262.298 1.372 20 0 CDADMM O=C(OC/C=C\Cl)c1sccc1-c1nn[n-]n1 ZINC001593286943 1174048566 /nfs/dbraw/zinc/04/85/66/1174048566.db2.gz QOIVBKVUKKQIHK-IWQZZHSRSA-N -1 1 270.701 1.838 20 0 CDADMM O=C(OC[C@H]1CC=CCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001593285042 1174051259 /nfs/dbraw/zinc/05/12/59/1174051259.db2.gz QUYGFVOAZUNNIB-VIFPVBQESA-N -1 1 274.280 1.973 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC2(CC2)CC1 ZINC001593358431 1174070430 /nfs/dbraw/zinc/07/04/30/1174070430.db2.gz HHRAMMNDCPNTNW-UHFFFAOYSA-N -1 1 284.323 1.278 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC2(CC2)CC1 ZINC001593358431 1174070439 /nfs/dbraw/zinc/07/04/39/1174070439.db2.gz HHRAMMNDCPNTNW-UHFFFAOYSA-N -1 1 284.323 1.278 20 0 CDADMM O=c1oc2ccccc2cc1Cn1ccnc1-c1nnn[n-]1 ZINC001593497562 1174091088 /nfs/dbraw/zinc/09/10/88/1174091088.db2.gz BROAYMHBFJPHDQ-UHFFFAOYSA-N -1 1 294.274 1.218 20 0 CDADMM O=c1oc2ccccc2cc1Cn1ccnc1-c1nn[n-]n1 ZINC001593497562 1174091094 /nfs/dbraw/zinc/09/10/94/1174091094.db2.gz BROAYMHBFJPHDQ-UHFFFAOYSA-N -1 1 294.274 1.218 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CCC[C@H]2[C@H]2CCCO2)c1 ZINC001593550502 1174120818 /nfs/dbraw/zinc/12/08/18/1174120818.db2.gz WTZJUYYBICXOAL-NWDGAFQWSA-N -1 1 286.339 1.410 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CCC[C@H]2[C@H]2CCCO2)c1 ZINC001593550502 1174120821 /nfs/dbraw/zinc/12/08/21/1174120821.db2.gz WTZJUYYBICXOAL-NWDGAFQWSA-N -1 1 286.339 1.410 20 0 CDADMM c1cc(NCc2ccc3c(c2)CCO3)cc(-c2nnn[n-]2)n1 ZINC001593561791 1174139261 /nfs/dbraw/zinc/13/92/61/1174139261.db2.gz YNCLWQQLBPWJOW-UHFFFAOYSA-N -1 1 294.318 1.231 20 0 CDADMM c1cc(NCc2ccc3c(c2)CCO3)cc(-c2nn[n-]n2)n1 ZINC001593561791 1174139264 /nfs/dbraw/zinc/13/92/64/1174139264.db2.gz YNCLWQQLBPWJOW-UHFFFAOYSA-N -1 1 294.318 1.231 20 0 CDADMM c1ccc(CSc2cncc(-c3nnn[n-]3)n2)nc1 ZINC001593575119 1174145819 /nfs/dbraw/zinc/14/58/19/1174145819.db2.gz OOXNWMPHKCBGQF-UHFFFAOYSA-N -1 1 271.309 1.344 20 0 CDADMM c1ccc(CSc2cncc(-c3nn[n-]n3)n2)nc1 ZINC001593575119 1174145823 /nfs/dbraw/zinc/14/58/23/1174145823.db2.gz OOXNWMPHKCBGQF-UHFFFAOYSA-N -1 1 271.309 1.344 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@H]2CCCS2)c1 ZINC001593585490 1174153132 /nfs/dbraw/zinc/15/31/32/1174153132.db2.gz UNEJBQKVMHKRFT-MRVPVSSYSA-N -1 1 262.342 1.569 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@H]2CCCS2)c1 ZINC001593585490 1174153135 /nfs/dbraw/zinc/15/31/35/1174153135.db2.gz UNEJBQKVMHKRFT-MRVPVSSYSA-N -1 1 262.342 1.569 20 0 CDADMM c1coc([C@H]2CCN(c3cccnc3-c3nnn[n-]3)C2)c1 ZINC001593589571 1174154692 /nfs/dbraw/zinc/15/46/92/1174154692.db2.gz DIYHSPYLHLWWOS-JTQLQIEISA-N -1 1 282.307 1.849 20 0 CDADMM c1coc([C@H]2CCN(c3cccnc3-c3nn[n-]n3)C2)c1 ZINC001593589571 1174154695 /nfs/dbraw/zinc/15/46/95/1174154695.db2.gz DIYHSPYLHLWWOS-JTQLQIEISA-N -1 1 282.307 1.849 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1N[C@@H](C1CC1)C1CCC1 ZINC001593590165 1174157710 /nfs/dbraw/zinc/15/77/10/1174157710.db2.gz IPRGAVULMLBMMC-GFCCVEGCSA-N -1 1 271.328 1.647 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1N[C@@H](C1CC1)C1CCC1 ZINC001593590165 1174157714 /nfs/dbraw/zinc/15/77/14/1174157714.db2.gz IPRGAVULMLBMMC-GFCCVEGCSA-N -1 1 271.328 1.647 20 0 CDADMM COC(=O)[C@]1(C)CCCN(Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001598718716 1174319534 /nfs/dbraw/zinc/31/95/34/1174319534.db2.gz MEHVBTVGWYOKGP-CQSZACIVSA-N -1 1 280.324 1.488 20 0 CDADMM Cc1cc(NC(=O)CCCc2nn[nH]n2)cc(C(=O)[O-])c1 ZINC001600254256 1174424164 /nfs/dbraw/zinc/42/41/64/1174424164.db2.gz LDYCENOJNPUVSU-UHFFFAOYSA-N -1 1 289.295 1.168 20 0 CDADMM Cc1cccc(NC(=O)CN[C@](C)(CCF)C(=O)[O-])c1 ZINC001600539269 1174501258 /nfs/dbraw/zinc/50/12/58/1174501258.db2.gz GTLPNWNYEFVNGV-CQSZACIVSA-N -1 1 282.315 1.726 20 0 CDADMM Cc1ccncc1[C@H](C)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001600605253 1174524328 /nfs/dbraw/zinc/52/43/28/1174524328.db2.gz VILBOYIAAVYLJB-DCAQKATOSA-N -1 1 279.340 1.018 20 0 CDADMM Cc1n[nH]c(C(=O)N[C@H](CC2CCOCC2)C(=O)[O-])c1C ZINC001600665271 1174553925 /nfs/dbraw/zinc/55/39/25/1174553925.db2.gz CYSLOGOMOXXXSO-LLVKDONJSA-N -1 1 295.339 1.026 20 0 CDADMM Cc1nc([C@H](C)NC(=O)C=Cc2cc(C(=O)[O-])co2)n[nH]1 ZINC001600792111 1174612315 /nfs/dbraw/zinc/61/23/15/1174612315.db2.gz KKRSWGRSOFEZOL-AVALRIAPSA-N -1 1 290.279 1.295 20 0 CDADMM Cc1nnc(CN2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)n1C1CC1 ZINC001600796194 1174615554 /nfs/dbraw/zinc/61/55/54/1174615554.db2.gz QKEDIARTADAKHA-DOMZBBRYSA-N -1 1 290.367 1.751 20 0 CDADMM Cn1cnc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c1 ZINC001600988710 1174692955 /nfs/dbraw/zinc/69/29/55/1174692955.db2.gz ACPHTMQKWCSNJT-IHRRRGAJSA-N -1 1 277.368 1.885 20 0 CDADMM NCc1cc(C(=O)NCCCCCC(=O)[O-])co1 ZINC001601190205 1174783213 /nfs/dbraw/zinc/78/32/13/1174783213.db2.gz DHCFOSHSPJLZCS-UHFFFAOYSA-N -1 1 254.286 1.113 20 0 CDADMM NCc1nccnc1Sc1ccc(C(=O)[O-])cc1 ZINC001601192202 1174784646 /nfs/dbraw/zinc/78/46/46/1174784646.db2.gz QIFZSARWPQDOFD-UHFFFAOYSA-N -1 1 261.306 1.785 20 0 CDADMM O=C([O-])[C@@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)C1CC1 ZINC001601393268 1174854761 /nfs/dbraw/zinc/85/47/61/1174854761.db2.gz NFJYXERWAOLTHT-NSHDSACASA-N -1 1 286.291 1.065 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)c3cc(=O)[nH]cn3)[nH]c21 ZINC001601633308 1174919121 /nfs/dbraw/zinc/91/91/21/1174919121.db2.gz RZDSLGKWMZCMDH-UHFFFAOYSA-N -1 1 299.246 1.009 20 0 CDADMM O=C([O-])C1=CC[C@@H](NC(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC001601737422 1174976808 /nfs/dbraw/zinc/97/68/08/1174976808.db2.gz JWZUNRDWTJSOMX-LLVKDONJSA-N -1 1 298.302 1.375 20 0 CDADMM O=C([O-])C[C@H](NC(=O)Cc1cnc[nH]1)c1ccc(F)cc1 ZINC001601899833 1175057373 /nfs/dbraw/zinc/05/73/73/1175057373.db2.gz ILHFFVMKRSFJAD-LBPRGKRZSA-N -1 1 291.282 1.424 20 0 CDADMM O=C([O-])C[C@]1(NCc2cc(F)ncc2F)CCOC1 ZINC001601936108 1175074005 /nfs/dbraw/zinc/07/40/05/1175074005.db2.gz KNWLRODPZUBORR-GFCCVEGCSA-N -1 1 272.251 1.083 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](O)CN1C[C@H]1CC[C@H](c2ccccc2)O1 ZINC001602219811 1175173161 /nfs/dbraw/zinc/17/31/61/1175173161.db2.gz ZIHQQEWABKFGLC-KBUPBQIOSA-N -1 1 291.347 1.427 20 0 CDADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(O)c2)cn1 ZINC001602402323 1175232234 /nfs/dbraw/zinc/23/22/34/1175232234.db2.gz RVJHMRAQLMMGPC-UHFFFAOYSA-N -1 1 294.288 1.286 20 0 CDADMM O=C([O-])c1ccc2c(c1)OCCN(C(=O)c1cnc[nH]1)C2 ZINC001602428354 1175235764 /nfs/dbraw/zinc/23/57/64/1175235764.db2.gz OKVRFDZWSXOAJC-UHFFFAOYSA-N -1 1 287.275 1.143 20 0 CDADMM O=C([O-])c1cnc(CN[C@@H]2CCOC23CCOCC3)s1 ZINC001602520873 1175268438 /nfs/dbraw/zinc/26/84/38/1175268438.db2.gz BJQDKTSJXAZVAW-SNVBAGLBSA-N -1 1 298.364 1.269 20 0 CDADMM O=C([O-])c1cnc(NCCc2ccc3cn[nH]c3c2)cn1 ZINC001602532960 1175275995 /nfs/dbraw/zinc/27/59/95/1175275995.db2.gz MWXNITJUQMLPFW-UHFFFAOYSA-N -1 1 283.291 1.706 20 0 CDADMM O=C([O-])c1coc(C(=O)NCc2ccc3nc[nH]c3c2)c1 ZINC001602550787 1175289953 /nfs/dbraw/zinc/28/99/53/1175289953.db2.gz QCMJQVUBRZUMKE-UHFFFAOYSA-N -1 1 285.259 1.784 20 0 CDADMM O=C([O-])[C@H](OC(=O)c1ccc2cncn2c1)C1CC1 ZINC001602599639 1175317015 /nfs/dbraw/zinc/31/70/15/1175317015.db2.gz FIVOMYWAHNTWNB-LLVKDONJSA-N -1 1 260.249 1.354 20 0 CDADMM C=Cc1ccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)cc1 ZINC001602890284 1175446853 /nfs/dbraw/zinc/44/68/53/1175446853.db2.gz XSGJNTSAGANGPT-UHFFFAOYSA-N -1 1 281.279 1.485 20 0 CDADMM CC(=O)c1cccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001602979650 1175470593 /nfs/dbraw/zinc/47/05/93/1175470593.db2.gz YZAXCKYIVGDFRK-UHFFFAOYSA-N -1 1 297.278 1.045 20 0 CDADMM CC(=O)c1cccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001602979650 1175470600 /nfs/dbraw/zinc/47/06/00/1175470600.db2.gz YZAXCKYIVGDFRK-UHFFFAOYSA-N -1 1 297.278 1.045 20 0 CDADMM CC(C)(CO)CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001603152001 1175503131 /nfs/dbraw/zinc/50/31/31/1175503131.db2.gz JRHBUDJUNUWWRG-UHFFFAOYSA-N -1 1 295.368 1.067 20 0 CDADMM CC(C)(CO)CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001603152001 1175503135 /nfs/dbraw/zinc/50/31/35/1175503135.db2.gz JRHBUDJUNUWWRG-UHFFFAOYSA-N -1 1 295.368 1.067 20 0 CDADMM CC(C)(O)CCCCOC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603171152 1175506505 /nfs/dbraw/zinc/50/65/05/1175506505.db2.gz CSVGEKITCJCCEX-UHFFFAOYSA-N -1 1 294.311 1.558 20 0 CDADMM CC(C)(O)CCCCOC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001603171152 1175506511 /nfs/dbraw/zinc/50/65/11/1175506511.db2.gz CSVGEKITCJCCEX-UHFFFAOYSA-N -1 1 294.311 1.558 20 0 CDADMM CC(C)C[C@@H](CCO)CNc1ncncc1-c1nn[n-]n1 ZINC001603263808 1175528449 /nfs/dbraw/zinc/52/84/49/1175528449.db2.gz USPBOTODXYFLIJ-SNVBAGLBSA-N -1 1 291.359 1.113 20 0 CDADMM CC(C)O[C@H](Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001603342946 1175544336 /nfs/dbraw/zinc/54/43/36/1175544336.db2.gz BCCRWQIEHNBYDX-GFCCVEGCSA-N -1 1 299.338 1.625 20 0 CDADMM CC(C)(CNC(=O)[C@@H]1CCN1C1CCCC1)CC(=O)[O-] ZINC001603620251 1175580624 /nfs/dbraw/zinc/58/06/24/1175580624.db2.gz BXESKXNEVIQCBI-LBPRGKRZSA-N -1 1 282.384 1.620 20 0 CDADMM C[C@]1(C(F)F)CN(c2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001603755666 1175617641 /nfs/dbraw/zinc/61/76/41/1175617641.db2.gz WCSYNNFFOGOJTF-GFCCVEGCSA-N -1 1 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288.735 1.962 20 0 CDADMM Cc1nn(C)c(NC(=O)[N-]O[C@H]2CCCCO2)c1Cl ZINC000888644939 1165639058 /nfs/dbraw/zinc/63/90/58/1165639058.db2.gz XRHQHXHJELXKSE-QMMMGPOBSA-N -1 1 288.735 1.962 20 0 CDADMM CCCC1CCC(NC(=O)Cc2sc(N)nc2[O-])CC1 ZINC000079718802 796586276 /nfs/dbraw/zinc/58/62/76/796586276.db2.gz WXUUEBVDIXRZBA-ILDUYXDCSA-N -1 1 297.424 1.808 20 0 CDADMM CC(=O)COC(=O)c1nn(-c2ccc(C)cc2)cc1[O-] ZINC000801369985 796661362 /nfs/dbraw/zinc/66/13/62/796661362.db2.gz FEDSYIASAIMAMG-UHFFFAOYSA-N -1 1 274.276 1.632 20 0 CDADMM Cn1cc(CN2CCSC(C)(C)C2)c(C(=O)[O-])n1 ZINC000864781800 796682960 /nfs/dbraw/zinc/68/29/60/796682960.db2.gz NIJXOPUJPYTXPN-UHFFFAOYSA-N -1 1 269.370 1.446 20 0 CDADMM CC(=O)N(C)C1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001003947090 796719555 /nfs/dbraw/zinc/71/95/55/796719555.db2.gz LTDDZNAYXYTSRL-UHFFFAOYSA-N -1 1 291.351 1.307 20 0 CDADMM O=C(NC[C@@H]1CCC=CO1)c1cc(F)ccc1[O-] ZINC000380078777 796747786 /nfs/dbraw/zinc/74/77/86/796747786.db2.gz VPBXTRJMBOLRKF-JTQLQIEISA-N -1 1 251.257 1.954 20 0 CDADMM CCC=CC[N-]S(=O)(=O)c1nc[nH]c1Br ZINC000867344631 796784416 /nfs/dbraw/zinc/78/44/16/796784416.db2.gz GSDJQEJBBJCOGV-ONEGZZNKSA-N -1 1 294.174 1.417 20 0 CDADMM CSc1nc(CNc2nccc(C)n2)cc(=O)[n-]1 ZINC000882569520 796796356 /nfs/dbraw/zinc/79/63/56/796796356.db2.gz JCWKJIYVKORINT-UHFFFAOYSA-N -1 1 263.326 1.615 20 0 CDADMM O=C(N[N-]C(=O)c1cc(-c2ccccc2)[nH]n1)NC1CC1 ZINC000053919005 796821283 /nfs/dbraw/zinc/82/12/83/796821283.db2.gz VJTGDMUEAIPTEU-UHFFFAOYSA-N -1 1 285.307 1.183 20 0 CDADMM Cc1noc(CCCNc2cc(Cl)[n-]c(=O)n2)n1 ZINC000858387669 796862824 /nfs/dbraw/zinc/86/28/24/796862824.db2.gz MVQCQMKBQSIUPS-UHFFFAOYSA-N -1 1 269.692 1.572 20 0 CDADMM O=C(OCc1nc(C(F)(F)F)cs1)c1cn[n-]n1 ZINC000805605400 796864748 /nfs/dbraw/zinc/86/47/48/796864748.db2.gz LLWAESVYKOUTQX-UHFFFAOYSA-N -1 1 278.215 1.637 20 0 CDADMM CCn1cc(CNC(=O)c2c([O-])cccc2Cl)nn1 ZINC000855613082 797038143 /nfs/dbraw/zinc/03/81/43/797038143.db2.gz OBKMKIMWSFVMHP-UHFFFAOYSA-N -1 1 280.715 1.587 20 0 CDADMM O=C(N[C@H]1CCCN(C/C=C\Cl)C1)c1ncccc1[O-] ZINC001007178690 797339898 /nfs/dbraw/zinc/33/98/98/797339898.db2.gz UTJXZVQBSGVZAO-UUSYTGMJSA-N -1 1 295.770 1.734 20 0 CDADMM O=c1nc(NCCOC[C@@H]2CCOC2)cc(Cl)[n-]1 ZINC000858404160 797378858 /nfs/dbraw/zinc/37/88/58/797378858.db2.gz HJICNTGALGNZRO-MRVPVSSYSA-N -1 1 273.720 1.301 20 0 CDADMM COC1(C)CN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000777441724 797383698 /nfs/dbraw/zinc/38/36/98/797383698.db2.gz JZAVGMDELUNBEZ-UHFFFAOYSA-N -1 1 255.701 1.907 20 0 CDADMM CC(=CC(=O)N1CCC[C@@H](c2nn[n-]n2)C1)c1ccco1 ZINC000830905927 797391210 /nfs/dbraw/zinc/39/12/10/797391210.db2.gz HPYHGXHWANQCAP-HIJJYWJESA-N -1 1 287.323 1.602 20 0 CDADMM COC(=O)c1ccc(C=Cc2ncc(OC)c(=O)[n-]2)o1 ZINC000821008014 797404126 /nfs/dbraw/zinc/40/41/26/797404126.db2.gz MPXDBTHSWFKXTD-XQRVVYSFSA-N -1 1 276.248 1.741 20 0 CDADMM O=C([O-])C[C@H]1COCCN1CCc1cccs1 ZINC000128649214 797469716 /nfs/dbraw/zinc/46/97/16/797469716.db2.gz HUSAICDUDCEIIK-JTQLQIEISA-N -1 1 255.339 1.466 20 0 CDADMM CC[C@@H](Nc1nc2[nH][n-]cc-2c(=O)n1)[C@H]1CCCOC1 ZINC000882956212 797582053 /nfs/dbraw/zinc/58/20/53/797582053.db2.gz BLVGIQRSGDLUEN-WCBMZHEXSA-N -1 1 277.328 1.049 20 0 CDADMM Cc1cccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)n1 ZINC000822284053 797742273 /nfs/dbraw/zinc/74/22/73/797742273.db2.gz HOYXJZISSOIGLB-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1cccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)n1 ZINC000822284053 797742298 /nfs/dbraw/zinc/74/22/98/797742298.db2.gz HOYXJZISSOIGLB-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM CC(C)[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000867358839 797768956 /nfs/dbraw/zinc/76/89/56/797768956.db2.gz YFGSQBOCLQMPKP-IUCAKERBSA-N -1 1 290.335 1.930 20 0 CDADMM CC(C)OC(=O)C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084937771 797801673 /nfs/dbraw/zinc/80/16/73/797801673.db2.gz KRCFKFFSVNHNLV-UHFFFAOYSA-N -1 1 297.332 1.663 20 0 CDADMM CC1([C@H]2CCCN(c3cc(Cl)[n-]c(=O)n3)C2)OCCO1 ZINC000858482698 797824080 /nfs/dbraw/zinc/82/40/80/797824080.db2.gz TWEMBPGUDFAALT-VIFPVBQESA-N -1 1 299.758 1.815 20 0 CDADMM CC[C@H](C)C[C@H](CO)[N-]S(=O)(=O)c1ccns1 ZINC000885267423 797881437 /nfs/dbraw/zinc/88/14/37/797881437.db2.gz ICIFKTXGBWGNPM-DTWKUNHWSA-N -1 1 278.399 1.219 20 0 CDADMM COc1ccc(C(=O)Nc2ccccc2C(N)=O)c([O-])c1 ZINC000121826308 797881836 /nfs/dbraw/zinc/88/18/36/797881836.db2.gz FWNVKKAWQNLPKY-UHFFFAOYSA-N -1 1 286.287 1.752 20 0 CDADMM Cn1cnc(/C=C/C(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000931317210 797895878 /nfs/dbraw/zinc/89/58/78/797895878.db2.gz JIIMGEHLAYCMET-FYJFLYSWSA-N -1 1 251.286 1.008 20 0 CDADMM CCC[C@@H](O)[C@H](CO)NC(=O)c1c([O-])cccc1Cl ZINC000839819772 797989843 /nfs/dbraw/zinc/98/98/43/797989843.db2.gz SGZLCISVIPELSZ-VHSXEESVSA-N -1 1 287.743 1.297 20 0 CDADMM CCC(=O)C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000778072643 798026383 /nfs/dbraw/zinc/02/63/83/798026383.db2.gz KQBTYPUEXXPATR-UHFFFAOYSA-N -1 1 297.163 1.646 20 0 CDADMM CCOc1cnc(C(=O)[N-]c2nc(C3CC3)no2)cn1 ZINC000779380123 798028730 /nfs/dbraw/zinc/02/87/30/798028730.db2.gz MHSKGGUIGKAIKQ-UHFFFAOYSA-N 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913529397 /nfs/dbraw/zinc/52/93/97/913529397.db2.gz AYUQVQIHKPCGOU-HXUWFJFHSA-N -1 1 292.364 1.729 20 0 CDADMM Nc1[nH]c(=S)[n-]c(=O)c1Nc1ccc(F)c(CO)c1 ZINC001209875835 894890452 /nfs/dbraw/zinc/89/04/52/894890452.db2.gz RNVNPQHPMLHABH-UHFFFAOYSA-N -1 1 282.300 1.428 20 0 CDADMM O=C(NCCOC(F)(F)F)c1ccncc1[O-] ZINC000398157536 895648283 /nfs/dbraw/zinc/64/82/83/895648283.db2.gz XQEYQVKCUXVHEO-UHFFFAOYSA-N -1 1 250.176 1.053 20 0 CDADMM CO[N-]C(=O)[C@@H]1CC(=O)N(c2cccc(SC)c2)C1 ZINC000025822101 896014542 /nfs/dbraw/zinc/01/45/42/896014542.db2.gz VOXOKUQBAVMISH-SECBINFHSA-N -1 1 280.349 1.439 20 0 CDADMM Cc1nnc(Nc2cc(CC(=O)[O-])ccc2F)o1 ZINC001216676206 897148410 /nfs/dbraw/zinc/14/84/10/897148410.db2.gz ACFKXCXSUIXLQP-UHFFFAOYSA-N -1 1 251.217 1.888 20 0 CDADMM N#Cc1ccc([O-])c(NC(=O)CCc2cnc[nH]2)c1 ZINC000189469484 899937667 /nfs/dbraw/zinc/93/76/67/899937667.db2.gz JULSHSNNEGYUAU-UHFFFAOYSA-N -1 1 256.265 1.558 20 0 CDADMM O=C([O-])[C@@H]1CCCN1CCS(=O)(=O)C1CCCCC1 ZINC000699997157 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CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C/C=C\Cl)C1 ZINC001033036412 921594676 /nfs/dbraw/zinc/59/46/76/921594676.db2.gz QJQBQUJONMUTSB-ZTYXWKCZSA-N -1 1 295.770 1.686 20 0 CDADMM Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)C/C=C\Cl)C2)c1[O-] ZINC001189676235 921599007 /nfs/dbraw/zinc/59/90/07/921599007.db2.gz XHLJGRDLLAUCHV-TZGMSPROSA-N -1 1 298.774 1.323 20 0 CDADMM CC[C@@H](C)OCC[C@H](C)[NH2+]CCP(=O)([O-])[O-] ZINC001172324737 911565754 /nfs/dbraw/zinc/56/57/54/911565754.db2.gz IALYAOSDWIJAIG-VHSXEESVSA-N -1 1 253.279 1.347 20 0 CDADMM Cc1cc(N[C@@H](C)CNC(=O)c2ncccc2[O-])ncn1 ZINC001097765197 936375672 /nfs/dbraw/zinc/37/56/72/936375672.db2.gz PAFSSFPSGPPYKD-JTQLQIEISA-N -1 1 287.323 1.116 20 0 CDADMM CCCCCCC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000829347815 936412391 /nfs/dbraw/zinc/41/23/91/936412391.db2.gz MRAUMMZAPQRGPD-ZDUSSCGKSA-N -1 1 284.400 1.964 20 0 CDADMM Cc1[nH]nc(C(=O)N(C)[C@H]2CCCN(CCF)CC2)c1[O-] ZINC000948302889 917365782 /nfs/dbraw/zinc/36/57/82/917365782.db2.gz 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348393438 /nfs/dbraw/zinc/39/34/38/348393438.db2.gz TZZNZEYCCGTNKZ-UHFFFAOYSA-N -1 1 252.299 1.452 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000615225707 348398426 /nfs/dbraw/zinc/39/84/26/348398426.db2.gz FQQXRALBIKABNS-QMMMGPOBSA-N -1 1 280.328 1.009 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000615228594 348399566 /nfs/dbraw/zinc/39/95/66/348399566.db2.gz MHIRLFDIWLHUBZ-SSDOTTSWSA-N -1 1 273.292 1.999 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cnc2n1[C@H](C)CCC2 ZINC000615228588 348399797 /nfs/dbraw/zinc/39/97/97/348399797.db2.gz MGQKHQMCCKCAKE-SSDOTTSWSA-N -1 1 275.312 1.770 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@H](C)N1C ZINC000615370580 348463790 /nfs/dbraw/zinc/46/37/90/348463790.db2.gz QXPFECOAXBKFKY-DTORHVGOSA-N -1 1 290.323 1.093 20 0 CDADMM CCO[N-]C(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1 ZINC000022874114 348541220 /nfs/dbraw/zinc/54/12/20/348541220.db2.gz ZTKBDHITKBEOBZ-ZDUSSCGKSA-N -1 1 276.336 1.411 20 0 CDADMM 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271.386 1.724 20 0 CDADMM O=C(Nc1ccncc1[O-])[C@H]1Cc2ccccc2O1 ZINC000345383814 391167589 /nfs/dbraw/zinc/16/75/89/391167589.db2.gz WJGJKHAJONDNBJ-CYBMUJFWSA-N -1 1 256.261 1.151 20 0 CDADMM CCCc1nc(C(=O)Nc2nc(C(=O)OCC)c[n-]2)co1 ZINC000415654977 391189101 /nfs/dbraw/zinc/18/91/01/391189101.db2.gz ZJRCTHONUHGFND-UHFFFAOYSA-N -1 1 292.295 1.779 20 0 CDADMM CC[C@H](C)C(=O)Cc1nc2cc(F)c([O-])cc2c(=O)[nH]1 ZINC000416414438 391298525 /nfs/dbraw/zinc/29/85/25/391298525.db2.gz RGBUMMPEMUUEAN-ZETCQYMHSA-N -1 1 278.283 1.926 20 0 CDADMM CC[C@H](C)[C@H](OC)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425316554 391372291 /nfs/dbraw/zinc/37/22/91/391372291.db2.gz CYDVKIABMMFXND-ONGXEEELSA-N -1 1 297.355 1.542 20 0 CDADMM C[C@H](CC(F)F)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425317283 391373349 /nfs/dbraw/zinc/37/33/49/391373349.db2.gz FHUSIZQEWWTGID-SSDOTTSWSA-N -1 1 289.282 1.773 20 0 CDADMM C[C@H]1CCN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C1 ZINC000355747755 391467745 /nfs/dbraw/zinc/46/77/45/391467745.db2.gz 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ZINC001590236688 1173311990 /nfs/dbraw/zinc/31/19/90/1173311990.db2.gz LENDVWAGAXAIBP-APPZFPTMSA-N -1 1 261.285 1.378 20 0 CDADMM CC[C@H](C)[C@H](NCC(=O)N(C)C1CCCCC1)C(=O)[O-] ZINC000263039359 287749982 /nfs/dbraw/zinc/74/99/82/287749982.db2.gz CEJGRQSZHDDVBR-FZMZJTMJSA-N -1 1 284.400 1.866 20 0 CDADMM C[C@@H]1[C@@H](C)[C@H](C)CN1c1ccnc(-c2nnn[n-]2)c1 ZINC001590316570 1173350980 /nfs/dbraw/zinc/35/09/80/1173350980.db2.gz SZDJANRAAKJVIL-KXUCPTDWSA-N -1 1 258.329 1.742 20 0 CDADMM C[C@@H]1[C@@H](C)[C@H](C)CN1c1ccnc(-c2nn[n-]n2)c1 ZINC001590316570 1173350987 /nfs/dbraw/zinc/35/09/87/1173350987.db2.gz SZDJANRAAKJVIL-KXUCPTDWSA-N -1 1 258.329 1.742 20 0 CDADMM C[C@@H]1OCC[C@@H]1Sc1ccnc(-c2nnn[n-]2)c1 ZINC001590335492 1173361559 /nfs/dbraw/zinc/36/15/59/1173361559.db2.gz GZKLUSPWIIMEQA-XVKPBYJWSA-N -1 1 263.326 1.531 20 0 CDADMM C[C@@H]1OCC[C@@H]1Sc1ccnc(-c2nn[n-]n2)c1 ZINC001590335492 1173361566 /nfs/dbraw/zinc/36/15/66/1173361566.db2.gz GZKLUSPWIIMEQA-XVKPBYJWSA-N -1 1 263.326 1.531 20 0 CDADMM CCC[C@@H](NCC(=O)N(C)Cc1ccccc1)C(=O)[O-] ZINC000036839677 276271814 /nfs/dbraw/zinc/27/18/14/276271814.db2.gz FHVBALHAFMWXKV-CYBMUJFWSA-N -1 1 278.352 1.488 20 0 CDADMM CC[C@@H](C)[C@H](C)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590399206 1173387948 /nfs/dbraw/zinc/38/79/48/1173387948.db2.gz HHKLDERRMBEPAJ-BDAKNGLRSA-N -1 1 274.328 1.426 20 0 CDADMM CC[C@@H](C)[C@H](C)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590399206 1173387955 /nfs/dbraw/zinc/38/79/55/1173387955.db2.gz HHKLDERRMBEPAJ-BDAKNGLRSA-N -1 1 274.328 1.426 20 0 CDADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCOC[C@H]2C)c1 ZINC000436506260 277160985 /nfs/dbraw/zinc/16/09/85/277160985.db2.gz SKRXJFINAIGHJU-KOLCDFICSA-N -1 1 293.319 1.790 20 0 CDADMM CC1(C)CN(C(=O)c2ncccc2[O-])CCS1 ZINC000122119722 278327427 /nfs/dbraw/zinc/32/74/27/278327427.db2.gz MVCQGUKXAQXRLT-UHFFFAOYSA-N -1 1 252.339 1.755 20 0 CDADMM Cc1cc(C)cc(NC(=O)c2cc(=O)n3[n-]cnc3n2)c1 ZINC000352425260 278672488 /nfs/dbraw/zinc/67/24/88/278672488.db2.gz XXNOSINKIABPLN-UHFFFAOYSA-N -1 1 283.291 1.287 20 0 CDADMM CC[C@@H](C[C@H](C)O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590421554 1173405349 /nfs/dbraw/zinc/40/53/49/1173405349.db2.gz KQHLODOBUDRVCZ-IUCAKERBSA-N -1 1 262.317 1.223 20 0 CDADMM CC[C@@H](C[C@H](C)O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590421554 1173405354 /nfs/dbraw/zinc/40/53/54/1173405354.db2.gz KQHLODOBUDRVCZ-IUCAKERBSA-N -1 1 262.317 1.223 20 0 CDADMM Cn1cc(-c2noc(-c3ccc([O-])cc3F)n2)cn1 ZINC000230225822 280115307 /nfs/dbraw/zinc/11/53/07/280115307.db2.gz CLRVBNWUWHWCRN-UHFFFAOYSA-N -1 1 260.228 1.982 20 0 CDADMM O=C(c1ncccc1[O-])N1CC[C@H](C2CCOCC2)C1 ZINC000360620534 280243596 /nfs/dbraw/zinc/24/35/96/280243596.db2.gz KVJLFNKJSKPKBU-LBPRGKRZSA-N -1 1 276.336 1.676 20 0 CDADMM O=C1N[C@H](c2ccc([O-])c(Cl)c2)N2CCSC[C@H]12 ZINC000270811447 280299734 /nfs/dbraw/zinc/29/97/34/280299734.db2.gz PWFGPSMHVFNKOU-KOLCDFICSA-N -1 1 284.768 1.591 20 0 CDADMM C[C@@H](C(=O)Nc1cccc(F)c1[O-])[C@H]1CCC(=O)N1 ZINC000530006911 281415110 /nfs/dbraw/zinc/41/51/10/281415110.db2.gz XNMSBCCXLGDMPW-VXNVDRBHSA-N -1 1 266.272 1.385 20 0 CDADMM CC1=C(C(=O)N=c2ccnc3n(C)[n-]cc2-3)SCCO1 ZINC000298788348 281614170 /nfs/dbraw/zinc/61/41/70/281614170.db2.gz WIDDYKGDTOHNFH-YBEGLDIGSA-N -1 1 290.348 1.275 20 0 CDADMM CC(=O)[C@H](Cc1ccccc1)NC(=O)c1ncccc1[O-] ZINC000153786332 289181730 /nfs/dbraw/zinc/18/17/30/289181730.db2.gz YIWFESJLZNDZOE-ZDUSSCGKSA-N -1 1 284.315 1.717 20 0 CDADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2)co1 ZINC000157387337 289285379 /nfs/dbraw/zinc/28/53/79/289285379.db2.gz SMFBKGCYQUEIHT-UHFFFAOYSA-N -1 1 294.332 1.748 20 0 CDADMM C[C@@H]1CCC[C@@H](N(C)C(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC000544734619 289650950 /nfs/dbraw/zinc/65/09/50/289650950.db2.gz FYBUZQLULAUFTO-NXEZZACHSA-N -1 1 289.339 1.068 20 0 CDADMM CC(C)n1cc(NC(=O)C(=O)c2ccc([O-])cc2)cn1 ZINC000548784698 289929471 /nfs/dbraw/zinc/92/94/71/289929471.db2.gz BIOHHVFJPZIMOQ-UHFFFAOYSA-N -1 1 273.292 1.991 20 0 CDADMM CC[C@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)C[C@H](C)O1 ZINC001590525537 1173451667 /nfs/dbraw/zinc/45/16/67/1173451667.db2.gz ZHWXWEFGBPMQJY-IUCAKERBSA-N -1 1 294.384 1.323 20 0 CDADMM CC[C@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)C[C@H](C)O1 ZINC001590525537 1173451670 /nfs/dbraw/zinc/45/16/70/1173451670.db2.gz ZHWXWEFGBPMQJY-IUCAKERBSA-N -1 1 294.384 1.323 20 0 CDADMM Cc1nnsc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000556720766 290287992 /nfs/dbraw/zinc/28/79/92/290287992.db2.gz PPQOHOMJUVYZSO-UHFFFAOYSA-N -1 1 267.339 1.828 20 0 CDADMM C[C@@H]1[C@H](C)N(C(=O)N=c2[n-]nc(C3CC3)s2)CCN1C ZINC000557097563 290328005 /nfs/dbraw/zinc/32/80/05/290328005.db2.gz PKMBCOAVVFVOCL-BDAKNGLRSA-N -1 1 295.412 1.394 20 0 CDADMM CC[C@H]1CN(C(=O)c2ccc([O-])cc2F)CCO1 ZINC000161774745 292813602 /nfs/dbraw/zinc/81/36/02/292813602.db2.gz KXVPDMBZGFUKET-JTQLQIEISA-N -1 1 253.273 1.782 20 0 CDADMM CC(=O)c1csc([N-]c2ncnc3n[nH]cc32)n1 ZINC000163079856 292836458 /nfs/dbraw/zinc/83/64/58/292836458.db2.gz SEBANBSAQDERAT-UHFFFAOYSA-N -1 1 260.282 1.756 20 0 CDADMM Cc1cnc(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)c([O-])c1 ZINC000333003595 293000692 /nfs/dbraw/zinc/00/06/92/293000692.db2.gz JNGPTIQMZKGXRJ-AAEUAGOBSA-N -1 1 276.336 1.783 20 0 CDADMM Cc1cnc(C(=O)N[C@H]2CCO[C@H]2C2CC2)c([O-])c1 ZINC000333028599 293003168 /nfs/dbraw/zinc/00/31/68/293003168.db2.gz LITWAKPNQJZVFL-GWCFXTLKSA-N -1 1 262.309 1.393 20 0 CDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCCCC(=O)C1)c1nn[n-]n1 ZINC000562346550 293140162 /nfs/dbraw/zinc/14/01/62/293140162.db2.gz LVHXMOUCBHSTFD-WDEREUQCSA-N -1 1 293.371 1.301 20 0 CDADMM Cc1[nH]ncc1C1CCN(C(=O)NCCCC(=O)[O-])CC1 ZINC000563092383 293270651 /nfs/dbraw/zinc/27/06/51/293270651.db2.gz NEGFAQZZXBOAMR-UHFFFAOYSA-N -1 1 294.355 1.472 20 0 CDADMM O=c1[n-]c([C@@H]2CCCCN2C[C@@H]2CCCC[C@H]2O)n[nH]1 ZINC000563215926 293315495 /nfs/dbraw/zinc/31/54/95/293315495.db2.gz HSSLAGOVBKGDGT-SDDRHHMPSA-N -1 1 280.372 1.588 20 0 CDADMM O=c1[n-]c([C@@H]2CCCCN2C[C@H]2CCCC[C@@H]2O)n[nH]1 ZINC000563215931 293315563 /nfs/dbraw/zinc/31/55/63/293315563.db2.gz HSSLAGOVBKGDGT-WOPDTQHZSA-N -1 1 280.372 1.588 20 0 CDADMM COc1ccc([O-])c(S(=O)(=O)Nc2ccc[nH]c2=O)c1 ZINC000564481545 293364711 /nfs/dbraw/zinc/36/47/11/293364711.db2.gz OHGIDVPGLXDNAT-UHFFFAOYSA-N -1 1 296.304 1.302 20 0 CDADMM Cn1[n-]c(CN2CCCCCc3ccccc32)nc1=O ZINC000335142807 294128634 /nfs/dbraw/zinc/12/86/34/294128634.db2.gz AZWWRHPQIWOVMY-UHFFFAOYSA-N -1 1 272.352 1.841 20 0 CDADMM CCN(CCCS(=O)(=O)c1ccccc1)CCC(=O)[O-] ZINC000570220046 294197942 /nfs/dbraw/zinc/19/79/42/294197942.db2.gz QVSFRENOYCEAFP-UHFFFAOYSA-N -1 1 299.392 1.647 20 0 CDADMM CCO[C@@H](CC)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000570677080 294286599 /nfs/dbraw/zinc/28/65/99/294286599.db2.gz UPGZSVOYPGCKNN-JTQLQIEISA-N -1 1 283.328 1.296 20 0 CDADMM CCC[C@@H](C(=O)OCC)N1CCC(C(=O)[O-])CC1 ZINC000570931384 294335809 /nfs/dbraw/zinc/33/58/09/294335809.db2.gz NHMWNLZPILCLMV-NSHDSACASA-N -1 1 257.330 1.515 20 0 CDADMM CCCCOCCOC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001590612974 1173473962 /nfs/dbraw/zinc/47/39/62/1173473962.db2.gz QIFRTVBSEMFNTI-UHFFFAOYSA-N -1 1 296.352 1.902 20 0 CDADMM CCCCOCCOC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590612974 1173473966 /nfs/dbraw/zinc/47/39/66/1173473966.db2.gz QIFRTVBSEMFNTI-UHFFFAOYSA-N -1 1 296.352 1.902 20 0 CDADMM Cc1o[n-]c(=N)c1S(=O)(=O)NCC12CCC(CC1)C2 ZINC000574847327 295063225 /nfs/dbraw/zinc/06/32/25/295063225.db2.gz QTXYXUIWKGOFIL-UHFFFAOYSA-N -1 1 285.369 1.254 20 0 CDADMM Cc1onc(N)c1S(=O)(=O)[N-]CC12CCC(CC1)C2 ZINC000574847327 295063226 /nfs/dbraw/zinc/06/32/26/295063226.db2.gz QTXYXUIWKGOFIL-UHFFFAOYSA-N -1 1 285.369 1.254 20 0 CDADMM Cc1nnc(CSc2ncc(C)c(=O)[n-]2)s1 ZINC000574927733 295078423 /nfs/dbraw/zinc/07/84/23/295078423.db2.gz VDSVUARAXKVCDD-UHFFFAOYSA-N -1 1 254.340 1.943 20 0 CDADMM CCOC1(C)CCN(c2ncncc2-c2nn[n-]n2)CC1 ZINC001590784605 1173510579 /nfs/dbraw/zinc/51/05/79/1173510579.db2.gz UMHRQPAKIOFWMQ-UHFFFAOYSA-N -1 1 289.343 1.052 20 0 CDADMM CN(C(=O)c1ccc(-c2nnn[n-]2)o1)C1(C)CCCC1 ZINC001590992786 1173557147 /nfs/dbraw/zinc/55/71/47/1173557147.db2.gz YRFRLBDPGVLGOH-UHFFFAOYSA-N -1 1 275.312 1.864 20 0 CDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)o1)C1(C)CCCC1 ZINC001590992786 1173557158 /nfs/dbraw/zinc/55/71/58/1173557158.db2.gz YRFRLBDPGVLGOH-UHFFFAOYSA-N -1 1 275.312 1.864 20 0 CDADMM COC[C@@H](C)[C@H](C)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001591372768 1173633325 /nfs/dbraw/zinc/63/33/25/1173633325.db2.gz ONJMQHNANPWSJW-RQJHMYQMSA-N -1 1 296.356 1.180 20 0 CDADMM COC[C@@H](C)[C@H](C)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001591372768 1173633330 /nfs/dbraw/zinc/63/33/30/1173633330.db2.gz ONJMQHNANPWSJW-RQJHMYQMSA-N -1 1 296.356 1.180 20 0 CDADMM COCCOCCCCNc1cccnc1-c1nnn[n-]1 ZINC001591438632 1173652813 /nfs/dbraw/zinc/65/28/13/1173652813.db2.gz VEWFPFYAIHSZIY-UHFFFAOYSA-N -1 1 292.343 1.117 20 0 CDADMM COCCOCCCCNc1cccnc1-c1nn[n-]n1 ZINC001591438632 1173652815 /nfs/dbraw/zinc/65/28/15/1173652815.db2.gz VEWFPFYAIHSZIY-UHFFFAOYSA-N -1 1 292.343 1.117 20 0 CDADMM CS[C@H]1C[C@@H](OC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591702793 1173689874 /nfs/dbraw/zinc/68/98/74/1173689874.db2.gz YKJACPACTWIBHR-DTORHVGOSA-N -1 1 291.336 1.313 20 0 CDADMM CS[C@H]1C[C@@H](OC(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001591702793 1173689876 /nfs/dbraw/zinc/68/98/76/1173689876.db2.gz YKJACPACTWIBHR-DTORHVGOSA-N -1 1 291.336 1.313 20 0 CDADMM NC(=O)c1c[nH]c(-c2noc(-c3cc(F)ccc3[O-])n2)c1 ZINC000351029203 316231244 /nfs/dbraw/zinc/23/12/44/316231244.db2.gz YFGYYSPZCBTDGJ-UHFFFAOYSA-N -1 1 288.238 1.675 20 0 CDADMM CCc1oc(C(=O)[O-])cc1CN(C)[C@@H]1CCOC1 ZINC000563816497 316377009 /nfs/dbraw/zinc/37/70/09/316377009.db2.gz MMVPJROGWSCHSF-SNVBAGLBSA-N -1 1 253.298 1.761 20 0 CDADMM Cc1nc([C@H]2CCCN2Cc2ncccc2[O-])no1 ZINC000563842032 316381949 /nfs/dbraw/zinc/38/19/49/316381949.db2.gz LQKLQNVTTMQUNU-LLVKDONJSA-N -1 1 260.297 1.816 20 0 CDADMM CC[NH+]1CCC(CNC(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000563867268 316385038 /nfs/dbraw/zinc/38/50/38/316385038.db2.gz DYHXOOQBMJGASE-UHFFFAOYSA-N -1 1 290.363 1.423 20 0 CDADMM COC(=O)[C@H](C)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000576112050 317078431 /nfs/dbraw/zinc/07/84/31/317078431.db2.gz VQXRQFKYRUIOGA-UHTWSYAYSA-N -1 1 277.320 1.348 20 0 CDADMM CC(C)CSCCC[N@H+]1CCO[C@H](C(=O)[O-])C1 ZINC000576710822 317192911 /nfs/dbraw/zinc/19/29/11/317192911.db2.gz WZGIXUUHXCLRTA-NSHDSACASA-N -1 1 261.387 1.551 20 0 CDADMM CC(C)CSCCCN1CCO[C@H](C(=O)[O-])C1 ZINC000576710822 317192914 /nfs/dbraw/zinc/19/29/14/317192914.db2.gz WZGIXUUHXCLRTA-NSHDSACASA-N -1 1 261.387 1.551 20 0 CDADMM COC(=O)[C@H](CN=c1nc(C)[n-]s1)CC1CC1 ZINC000576829015 317215627 /nfs/dbraw/zinc/21/56/27/317215627.db2.gz SKWPVCFBPJRVFY-VIFPVBQESA-N -1 1 255.343 1.270 20 0 CDADMM CC(C)c1nc(=NCCC[NH+]2CCC(C(=O)[O-])CC2)o[n-]1 ZINC000577377624 317318226 /nfs/dbraw/zinc/31/82/26/317318226.db2.gz RPTKIIAWKVVNRU-UHFFFAOYSA-N -1 1 296.371 1.214 20 0 CDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000577466803 317334387 /nfs/dbraw/zinc/33/43/87/317334387.db2.gz SMTKRAUKEVVZNJ-JTNHKYCSSA-N -1 1 277.372 1.732 20 0 CDADMM Cc1ccc(N[C@H]2CSC[C@@H]2C)nc1-c1nn[n-]n1 ZINC001592184354 1173827548 /nfs/dbraw/zinc/82/75/48/1173827548.db2.gz SGVDSQHKECWRMD-IUCAKERBSA-N -1 1 276.369 1.734 20 0 CDADMM Cc1ccc(N[C@@H]2CS[C@H](C)C2)nc1-c1nnn[n-]1 ZINC001592183866 1173829357 /nfs/dbraw/zinc/82/93/57/1173829357.db2.gz LMKUUGGTNMOCAF-BDAKNGLRSA-N -1 1 276.369 1.876 20 0 CDADMM Cc1ccc(N[C@@H]2CS[C@H](C)C2)nc1-c1nn[n-]n1 ZINC001592183866 1173829367 /nfs/dbraw/zinc/82/93/67/1173829367.db2.gz LMKUUGGTNMOCAF-BDAKNGLRSA-N -1 1 276.369 1.876 20 0 CDADMM CCOC(=O)c1cc(NC(=O)C(C)(C)CC)n[nH]1 ZINC000181752998 323246387 /nfs/dbraw/zinc/24/63/87/323246387.db2.gz XCDNMNPISJGUOC-UHFFFAOYSA-N -1 1 253.302 1.961 20 0 CDADMM O=c1[n-]c(CN[C@H](c2cccs2)C2CC2)n[nH]1 ZINC000392363458 323826448 /nfs/dbraw/zinc/82/64/48/323826448.db2.gz DNHCOOUSVHLXEM-JTQLQIEISA-N -1 1 250.327 1.813 20 0 CDADMM Cc1nocc1C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001592465579 1173897086 /nfs/dbraw/zinc/89/70/86/1173897086.db2.gz 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ZINC000583446069 325177301 /nfs/dbraw/zinc/17/73/01/325177301.db2.gz MYORTYPUVRIFPJ-PWZJLYFZSA-N -1 1 279.340 1.594 20 0 CDADMM Cc1nsc(N[C@@H]2CCS[C@@H]2C)c1-c1nn[n-]n1 ZINC001592486411 1173902529 /nfs/dbraw/zinc/90/25/29/1173902529.db2.gz KDQGZDJORXOBTK-RNFRBKRXSA-N -1 1 282.398 1.938 20 0 CDADMM Cc1nsc(N[C@@H](C)CCCCO)c1-c1nn[n-]n1 ZINC001592482312 1173903552 /nfs/dbraw/zinc/90/35/52/1173903552.db2.gz DGXQROISBKGZAS-ZETCQYMHSA-N -1 1 282.373 1.595 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CC12CC2 ZINC001592498867 1173906215 /nfs/dbraw/zinc/90/62/15/1173906215.db2.gz GJFPANXNKGMDAD-SECBINFHSA-N -1 1 259.269 1.050 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CC12CC2 ZINC001592498867 1173906219 /nfs/dbraw/zinc/90/62/19/1173906219.db2.gz GJFPANXNKGMDAD-SECBINFHSA-N -1 1 259.269 1.050 20 0 CDADMM CCC(F)(F)CNc1cc(-c2nnn[n-]2)ncn1 ZINC001604044150 1175732421 /nfs/dbraw/zinc/73/24/21/1175732421.db2.gz RHFRQHFACAAACS-UHFFFAOYSA-N -1 1 255.232 1.114 20 0 CDADMM 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/nfs/dbraw/zinc/07/29/61/576072961.db2.gz OIIXWWZPEIBHKS-LLVKDONJSA-N -1 1 294.322 1.393 20 0 CDADMM c1ccc2c(c1)C[C@@H]2CNc1nccnc1-c1nnn[n-]1 ZINC000738435891 576073887 /nfs/dbraw/zinc/07/38/87/576073887.db2.gz DODUMZJDZWZZPM-SNVBAGLBSA-N -1 1 279.307 1.409 20 0 CDADMM c1ccc2c(c1)C[C@@H]2CNc1nccnc1-c1nn[n-]n1 ZINC000738435891 576073890 /nfs/dbraw/zinc/07/38/90/576073890.db2.gz DODUMZJDZWZZPM-SNVBAGLBSA-N -1 1 279.307 1.409 20 0 CDADMM Cc1nc(CCC(=O)[N-]OCC(F)(F)F)cs1 ZINC000766765548 576132922 /nfs/dbraw/zinc/13/29/22/576132922.db2.gz RTRWAPVEYDJXEM-UHFFFAOYSA-N -1 1 268.260 1.994 20 0 CDADMM CC(C)c1nnc(CCC(=O)[N-]OCC(F)(F)F)o1 ZINC000766774431 576133850 /nfs/dbraw/zinc/13/38/50/576133850.db2.gz GVEYYFKIOPOISN-UHFFFAOYSA-N -1 1 281.234 1.736 20 0 CDADMM Cn1cc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cn1 ZINC000739035620 576152855 /nfs/dbraw/zinc/15/28/55/576152855.db2.gz XUNOKZGHHZUXEU-GFCCVEGCSA-N -1 1 263.272 1.475 20 0 CDADMM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CN1CCCC1 ZINC000739623099 576267470 /nfs/dbraw/zinc/26/74/70/576267470.db2.gz BOQKXKNDFBEKSI-AWEZNQCLSA-N -1 1 288.347 1.120 20 0 CDADMM Cn1nccc1CCNC(=O)c1ccc([O-])c(F)c1 ZINC000768448879 576284599 /nfs/dbraw/zinc/28/45/99/576284599.db2.gz SMZQCWBEXGGAOV-UHFFFAOYSA-N -1 1 263.272 1.237 20 0 CDADMM O=C([O-])COC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000739819582 576386220 /nfs/dbraw/zinc/38/62/20/576386220.db2.gz UJFVWBSIPAOWRG-GFCCVEGCSA-N -1 1 295.310 1.666 20 0 CDADMM Cc1cc(NC(=O)[C@H](C)N(C)C)ccc1C(=O)[O-] ZINC000761239555 576562591 /nfs/dbraw/zinc/56/25/91/576562591.db2.gz GIBOYMXCEUAQDL-VIFPVBQESA-N -1 1 250.298 1.582 20 0 CDADMM CCC[C@@H](NC(=O)COC1(C)CCC1)c1nn[n-]n1 ZINC000746206732 576762019 /nfs/dbraw/zinc/76/20/19/576762019.db2.gz CIRDBYJMSVSLDW-SECBINFHSA-N -1 1 267.333 1.116 20 0 CDADMM CCCC(=O)N1CCC[C@H](C(=O)[N-]O[C@@H]2CCCCO2)C1 ZINC000749617374 576955679 /nfs/dbraw/zinc/95/56/79/576955679.db2.gz KGCRUBGJMSUWHV-GXTWGEPZSA-N -1 1 298.383 1.600 20 0 CDADMM O=C([O-])CC1(CN2CCOC[C@@H]2[C@@H]2CCCC2=O)CC1 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O=C([O-])c1cc(CNCCc2cscn2)on1 ZINC001602259806 1175187467 /nfs/dbraw/zinc/18/74/67/1175187467.db2.gz AKMGCQDUXSCYHI-UHFFFAOYSA-N -1 1 253.283 1.162 20 0 CDADMM C[C@@H](C(=O)OC(C)(C)C)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000817791550 597088571 /nfs/dbraw/zinc/08/85/71/597088571.db2.gz IIPUJKZFDIYRDC-QWRGUYRKSA-N -1 1 271.357 1.903 20 0 CDADMM Cc1ccc(N2CC[C@H](N[C@@H](C)C(=O)[O-])C2=O)cc1 ZINC000818898852 597207722 /nfs/dbraw/zinc/20/77/22/597207722.db2.gz LDOSCOGHAVRFMC-JQWIXIFHSA-N -1 1 262.309 1.163 20 0 CDADMM CC1(C)CN(CN2CCC[C@@H](CC(=O)[O-])C2)C(=O)O1 ZINC000820211956 597393589 /nfs/dbraw/zinc/39/35/89/597393589.db2.gz OZORANQTJHMNTB-JTQLQIEISA-N -1 1 270.329 1.361 20 0 CDADMM C[C@H](CCc1cccc(F)c1)N1CCO[C@@H](C(=O)[O-])C1 ZINC000820095978 597732064 /nfs/dbraw/zinc/73/20/64/597732064.db2.gz XZMURJHLKAVZSU-BXUZGUMPSA-N -1 1 281.327 1.932 20 0 CDADMM CC[C@H](C)[C@H](NCC(=O)N[C@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000263133627 598187478 /nfs/dbraw/zinc/18/74/78/598187478.db2.gz 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/nfs/dbraw/zinc/35/85/55/599358555.db2.gz VKVJJHRXSGQRRH-UHFFFAOYSA-N -1 1 286.339 1.269 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CCC3(C2)CCOCC3)c1 ZINC000823743160 599358557 /nfs/dbraw/zinc/35/85/57/599358557.db2.gz VKVJJHRXSGQRRH-UHFFFAOYSA-N -1 1 286.339 1.269 20 0 CDADMM O=C([O-])c1cnc(CNCCCN2CCCCC2=O)s1 ZINC001602520947 1175267275 /nfs/dbraw/zinc/26/72/75/1175267275.db2.gz FJGCBUMVQVGCDW-UHFFFAOYSA-N -1 1 297.380 1.334 20 0 CDADMM O=C([O-])c1cnc(CN[C@H]2COC[C@@H]2C2CC2)s1 ZINC001602521170 1175268165 /nfs/dbraw/zinc/26/81/65/1175268165.db2.gz NHCFZMWSNFLMOS-BDAKNGLRSA-N -1 1 268.338 1.356 20 0 CDADMM C[C@H]1CCC[C@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824929421 608422858 /nfs/dbraw/zinc/42/28/58/608422858.db2.gz XJZMGSLIABUKCO-UWVGGRQHSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1C[C@@H]1Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820678564 599520697 /nfs/dbraw/zinc/52/06/97/599520697.db2.gz WBTGMWWKKNKEQE-KCJUWKMLSA-N -1 1 266.308 1.657 20 0 CDADMM C[C@@H]1C[C@@H]1Nc1cc(-c2nn[n-]n2)nc2ccccc21 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Cc1cc(C)cc(NC(=O)CN(C)C[C@H](C)C(=O)[O-])c1 ZINC000071734429 600364224 /nfs/dbraw/zinc/36/42/24/600364224.db2.gz QVTOOYQDQGLLER-LBPRGKRZSA-N -1 1 278.352 1.894 20 0 CDADMM Cc1n[nH]c(C(=O)N[C@@H](C(=O)[O-])c2cccs2)c1C ZINC000716660393 600615902 /nfs/dbraw/zinc/61/59/02/600615902.db2.gz RBDOXYFBWCSWIT-SNVBAGLBSA-N -1 1 279.321 1.644 20 0 CDADMM CC(C)N1CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000111472437 600654693 /nfs/dbraw/zinc/65/46/93/600654693.db2.gz LCASFHFELNEOJZ-CHWSQXEVSA-N -1 1 282.384 1.430 20 0 CDADMM O=C([O-])CCN(CN1CCSC1=O)C1CCOCC1 ZINC000833233209 600719958 /nfs/dbraw/zinc/71/99/58/600719958.db2.gz HYDZCFNRBZLRRK-UHFFFAOYSA-N -1 1 288.369 1.068 20 0 CDADMM O=C([O-])[C@H]1CCCN(C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000062360546 600846188 /nfs/dbraw/zinc/84/61/88/600846188.db2.gz BNOMYCJUISBVRT-TVQRCGJNSA-N -1 1 285.290 1.795 20 0 CDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000095758061 600972849 /nfs/dbraw/zinc/97/28/49/600972849.db2.gz HDGGNRDBQUUAMZ-SNVBAGLBSA-N -1 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/nfs/dbraw/zinc/52/60/55/601526055.db2.gz MEABCMZNZDQYQD-OUAUKWLOSA-N -1 1 257.330 1.371 20 0 CDADMM C[C@@H]1CN([C@@H](C(N)=O)c2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC000828410322 601529245 /nfs/dbraw/zinc/52/92/45/601529245.db2.gz ANUHKIWTARUKGW-GGZOMVNGSA-N -1 1 280.299 1.005 20 0 CDADMM Cc1cc(C(=O)CN2C[C@H](C)[C@H](C(=O)[O-])C2)c(C)n1C ZINC000832859485 601540405 /nfs/dbraw/zinc/54/04/05/601540405.db2.gz POPWBGWMGDBKSO-TVQRCGJNSA-N -1 1 278.352 1.477 20 0 CDADMM C[C@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H]1C(=O)[O-] ZINC000828387057 601719017 /nfs/dbraw/zinc/71/90/17/601719017.db2.gz PKOHPAMICNRNBK-IONNQARKSA-N -1 1 263.297 1.080 20 0 CDADMM Cc1sc(C(=O)[O-])cc1CN1CCCN(C(N)=O)CC1 ZINC000833031126 601816665 /nfs/dbraw/zinc/81/66/65/601816665.db2.gz DYYGVIGPQVRGTH-UHFFFAOYSA-N -1 1 297.380 1.341 20 0 CDADMM CC(C)[C@H](NCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)C(=O)[O-] ZINC000222740236 601822414 /nfs/dbraw/zinc/82/24/14/601822414.db2.gz BBOMBOHZHMBWPV-CZXHOFHRSA-N -1 1 284.400 1.626 20 0 CDADMM CC(C)CN(C(=O)CN[C@@H](C(=O)[O-])C(C)(C)C)C1CC1 ZINC000826864881 601875065 /nfs/dbraw/zinc/87/50/65/601875065.db2.gz AJJDKIVMNFKPEJ-ZDUSSCGKSA-N -1 1 284.400 1.722 20 0 CDADMM C[C@]1(C(=O)[O-])CCN(Cn2c(=O)oc3ccccc32)C1 ZINC000828029105 601893489 /nfs/dbraw/zinc/89/34/89/601893489.db2.gz QBMZVZAFTCSQAE-AWEZNQCLSA-N -1 1 276.292 1.349 20 0 CDADMM c1cc(CSCc2ccnc(-c3nnn[n-]3)c2)no1 ZINC000826516621 607536782 /nfs/dbraw/zinc/53/67/82/607536782.db2.gz SRGWZIUSUXMDFY-UHFFFAOYSA-N -1 1 274.309 1.683 20 0 CDADMM c1cc(CSCc2ccnc(-c3nn[n-]n3)c2)no1 ZINC000826516621 607536784 /nfs/dbraw/zinc/53/67/84/607536784.db2.gz SRGWZIUSUXMDFY-UHFFFAOYSA-N -1 1 274.309 1.683 20 0 CDADMM CC(C)CN(CCC(=O)[O-])C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000826876225 602017715 /nfs/dbraw/zinc/01/77/15/602017715.db2.gz XEWXVDIYZUYBSK-LLVKDONJSA-N -1 1 293.367 1.789 20 0 CDADMM O=C([O-])CCN1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000819463376 602021450 /nfs/dbraw/zinc/02/14/50/602021450.db2.gz YGERQTJFHFQWPY-ZIAGYGMSSA-N -1 1 279.336 1.286 20 0 CDADMM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000062912811 602051076 /nfs/dbraw/zinc/05/10/76/602051076.db2.gz FSFWGFAWYRJBTG-ZDUSSCGKSA-N -1 1 283.711 1.982 20 0 CDADMM CC(C)C[C@@H]1CCC(=O)N(CN2CC[C@H](C(=O)[O-])C2)C1=O ZINC000817869001 602080748 /nfs/dbraw/zinc/08/07/48/602080748.db2.gz OGKYMQNTXLLRPR-RYUDHWBXSA-N -1 1 296.367 1.162 20 0 CDADMM C[C@H](OC(=O)CCc1nc[nH]n1)c1ccc(C(=O)[O-])o1 ZINC000827832757 602088517 /nfs/dbraw/zinc/08/85/17/602088517.db2.gz AYDYXLWXSHVPBF-ZETCQYMHSA-N -1 1 279.252 1.333 20 0 CDADMM C/C=C(\C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825029483 607611531 /nfs/dbraw/zinc/61/15/31/607611531.db2.gz UERNYVKHGNDHLV-FPYGCLRLSA-N -1 1 259.269 1.271 20 0 CDADMM C/C=C(\C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825029483 607611532 /nfs/dbraw/zinc/61/15/32/607611532.db2.gz UERNYVKHGNDHLV-FPYGCLRLSA-N -1 1 259.269 1.271 20 0 CDADMM C[C@H](NC(=O)c1cccc(NC(=O)[O-])c1)c1nnc[nH]1 ZINC000825466429 603553034 /nfs/dbraw/zinc/55/30/34/603553034.db2.gz SMXQBSWWLIXEIY-ZETCQYMHSA-N -1 1 275.268 1.386 20 0 CDADMM CN(C)Cc1ccnc(NC(=O)CCCN(C)C(=O)[O-])c1 ZINC000828045882 604066574 /nfs/dbraw/zinc/06/65/74/604066574.db2.gz ANJQUNAKAPCUDD-UHFFFAOYSA-N -1 1 294.355 1.472 20 0 CDADMM CC(C)N(CC(N)=O)Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000833536402 604519564 /nfs/dbraw/zinc/51/95/64/604519564.db2.gz CFUJJYYYXJQBMC-NSHDSACASA-N -1 1 294.351 1.234 20 0 CDADMM COc1cc(OC)c(CN(C)C[C@@H](C)C(=O)[O-])c(OC)c1 ZINC000086807844 604582369 /nfs/dbraw/zinc/58/23/69/604582369.db2.gz FWGXWCFHTSHIOM-SNVBAGLBSA-N -1 1 297.351 1.865 20 0 CDADMM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1[nH]nc2ccccc21 ZINC000833505455 604767482 /nfs/dbraw/zinc/76/74/82/604767482.db2.gz JUIVLGKBJFRRMZ-CQSZACIVSA-N -1 1 291.351 1.873 20 0 CDADMM C[C@H]1[C@H](C)N(C(=O)c2ccc(C(=O)[O-])cc2)CCN1C ZINC000820221444 604837917 /nfs/dbraw/zinc/83/79/17/604837917.db2.gz PSZSENMDYGDHMU-QWRGUYRKSA-N -1 1 276.336 1.549 20 0 CDADMM CN(Cc1ccc(C(=O)[O-])c(F)c1)C1(C(N)=O)CCCC1 ZINC000833696449 604911328 /nfs/dbraw/zinc/91/13/28/604911328.db2.gz MOKVJEKFBMOMQR-UHFFFAOYSA-N -1 1 294.326 1.754 20 0 CDADMM CCc1nc(NC(=O)c2cn[nH]c2C)sc1C(=O)[O-] ZINC000833676055 605009002 /nfs/dbraw/zinc/00/90/02/605009002.db2.gz YIQHTDCKMOWRPX-UHFFFAOYSA-N -1 1 280.309 1.688 20 0 CDADMM C[C@@H]1CCC[C@H](C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)C1 ZINC000833608524 605111488 /nfs/dbraw/zinc/11/14/88/605111488.db2.gz BDNFNLWJNOVBPW-RDBSUJKOSA-N -1 1 296.411 1.820 20 0 CDADMM Clc1nsc(N[C@@H]2CCOC2)c1-c1nnn[n-]1 ZINC000826353948 607736598 /nfs/dbraw/zinc/73/65/98/607736598.db2.gz KHUIVVZYEBKTQU-SCSAIBSYSA-N -1 1 272.721 1.177 20 0 CDADMM Clc1nsc(N[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826353948 607736599 /nfs/dbraw/zinc/73/65/99/607736599.db2.gz KHUIVVZYEBKTQU-SCSAIBSYSA-N -1 1 272.721 1.177 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccccc1O ZINC000833622978 605158814 /nfs/dbraw/zinc/15/88/14/605158814.db2.gz CHYOWTXMFAUNRI-NSHDSACASA-N -1 1 292.335 1.013 20 0 CDADMM C[C@H]1COCCN(Cn2ncc3cc(C(=O)[O-])ccc32)C1 ZINC000833632196 605191972 /nfs/dbraw/zinc/19/19/72/605191972.db2.gz UWMISCUSRXRETH-LLVKDONJSA-N -1 1 289.335 1.660 20 0 CDADMM Cc1cc(CN2CCOCC3(CC3)C2)oc1C(=O)[O-] ZINC000833745821 605227096 /nfs/dbraw/zinc/22/70/96/605227096.db2.gz VOBQHOOOUIEMEP-UHFFFAOYSA-N -1 1 265.309 1.899 20 0 CDADMM CN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)C1CCCC1 ZINC000821572214 606163615 /nfs/dbraw/zinc/16/36/15/606163615.db2.gz WBMDYESVVFDSFO-UHFFFAOYSA-N -1 1 290.331 1.007 20 0 CDADMM CN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)C1CCCC1 ZINC000821572214 606163617 /nfs/dbraw/zinc/16/36/17/606163617.db2.gz WBMDYESVVFDSFO-UHFFFAOYSA-N -1 1 290.331 1.007 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cncs1 ZINC000823294873 606294980 /nfs/dbraw/zinc/29/49/80/606294980.db2.gz VQLOFIOBSGPLPT-UHFFFAOYSA-N -1 1 288.292 1.281 20 0 CDADMM CCCN(CCO)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821100264 606468693 /nfs/dbraw/zinc/46/86/93/606468693.db2.gz WZABIMBNQZKKHI-UHFFFAOYSA-N -1 1 282.735 1.124 20 0 CDADMM CCCN(CCO)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821100264 606468691 /nfs/dbraw/zinc/46/86/91/606468691.db2.gz WZABIMBNQZKKHI-UHFFFAOYSA-N -1 1 282.735 1.124 20 0 CDADMM O=C(OCc1cccnc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823431754 606488494 /nfs/dbraw/zinc/48/84/94/606488494.db2.gz VLIKHDBWMDXEDN-UHFFFAOYSA-N -1 1 287.304 1.680 20 0 CDADMM O=C(OCc1cccnc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823431754 606488496 /nfs/dbraw/zinc/48/84/96/606488496.db2.gz VLIKHDBWMDXEDN-UHFFFAOYSA-N -1 1 287.304 1.680 20 0 CDADMM O=C(O[C@@H]1CCCOC1)c1sccc1-c1nn[n-]n1 ZINC000823393441 606765476 /nfs/dbraw/zinc/76/54/76/606765476.db2.gz XUDVBKIJQKUPET-SSDOTTSWSA-N -1 1 280.309 1.264 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CC12CCC2 ZINC000823436278 607132368 /nfs/dbraw/zinc/13/23/68/607132368.db2.gz OJIIEHJHDMUOSL-SNVBAGLBSA-N -1 1 285.307 1.495 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CC12CCC2 ZINC000823436278 607132370 /nfs/dbraw/zinc/13/23/70/607132370.db2.gz OJIIEHJHDMUOSL-SNVBAGLBSA-N -1 1 285.307 1.495 20 0 CDADMM CCN(C[C@@H]1CCCO1)c1cccc(-c2nnn[n-]2)n1 ZINC000095279677 607897088 /nfs/dbraw/zinc/89/70/88/607897088.db2.gz UGFSPLMPDWOPHN-JTQLQIEISA-N -1 1 274.328 1.267 20 0 CDADMM CCN(C[C@@H]1CCCO1)c1cccc(-c2nn[n-]n2)n1 ZINC000095279677 607897089 /nfs/dbraw/zinc/89/70/89/607897089.db2.gz UGFSPLMPDWOPHN-JTQLQIEISA-N -1 1 274.328 1.267 20 0 CDADMM c1cc([C@H]2CCCN(c3cccc(-c4nn[n-]n4)n3)C2)n[nH]1 ZINC000826514169 607897731 /nfs/dbraw/zinc/89/77/31/607897731.db2.gz JITUTHRVGSBQLG-JTQLQIEISA-N -1 1 296.338 1.369 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000095147285 607900995 /nfs/dbraw/zinc/90/09/95/607900995.db2.gz JDKMMCHQUQJDAZ-RYUDHWBXSA-N -1 1 286.339 1.410 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000095147285 607900996 /nfs/dbraw/zinc/90/09/96/607900996.db2.gz JDKMMCHQUQJDAZ-RYUDHWBXSA-N -1 1 286.339 1.410 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc[nH]1 ZINC000826451109 607999002 /nfs/dbraw/zinc/99/90/02/607999002.db2.gz QLGPZZQDKRLBTK-UHFFFAOYSA-N -1 1 270.252 1.153 20 0 CDADMM COCC1(C)CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000826152943 608297582 /nfs/dbraw/zinc/29/75/82/608297582.db2.gz VAFWXFAVMMRBTE-UHFFFAOYSA-N -1 1 288.355 1.515 20 0 CDADMM COCC1(C)CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000826152943 608297583 /nfs/dbraw/zinc/29/75/83/608297583.db2.gz VAFWXFAVMMRBTE-UHFFFAOYSA-N -1 1 288.355 1.515 20 0 CDADMM c1cn(C2CC2)c(Sc2ccc(-c3nnn[n-]3)nn2)n1 ZINC000826524881 608393835 /nfs/dbraw/zinc/39/38/35/608393835.db2.gz NWCWWOXKCSOBRS-UHFFFAOYSA-N -1 1 286.324 1.339 20 0 CDADMM c1cn(C2CC2)c(Sc2ccc(-c3nn[n-]n3)nn2)n1 ZINC000826524881 608393837 /nfs/dbraw/zinc/39/38/37/608393837.db2.gz NWCWWOXKCSOBRS-UHFFFAOYSA-N -1 1 286.324 1.339 20 0 CDADMM c1ccc([C@H]2CCN2c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826520386 608402550 /nfs/dbraw/zinc/40/25/50/608402550.db2.gz IEPVICGYVBTZMW-GFCCVEGCSA-N -1 1 279.307 1.608 20 0 CDADMM c1ccc([C@H]2CCN2c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826520386 608402552 /nfs/dbraw/zinc/40/25/52/608402552.db2.gz IEPVICGYVBTZMW-GFCCVEGCSA-N -1 1 279.307 1.608 20 0 CDADMM Cc1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)c(C)c1 ZINC000826287390 608405128 /nfs/dbraw/zinc/40/51/28/608405128.db2.gz NDJYOFIALZSVRG-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(CCNc2ccc(-c3nn[n-]n3)nn2)c(C)c1 ZINC000826287390 608405129 /nfs/dbraw/zinc/40/51/29/608405129.db2.gz NDJYOFIALZSVRG-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM C[C@H]1CCC[C@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824929421 608422856 /nfs/dbraw/zinc/42/28/56/608422856.db2.gz XJZMGSLIABUKCO-UWVGGRQHSA-N -1 1 273.344 1.672 20 0 CDADMM CC(C)CC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000824243771 608432449 /nfs/dbraw/zinc/43/24/49/608432449.db2.gz OAXMZNLOUOXVIE-UHFFFAOYSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)CC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000824243771 608432451 /nfs/dbraw/zinc/43/24/51/608432451.db2.gz OAXMZNLOUOXVIE-UHFFFAOYSA-N -1 1 287.371 1.919 20 0 CDADMM CN(CC(=O)OC(C)(C)C)c1cccc(-c2nnn[n-]2)n1 ZINC000825897499 608583963 /nfs/dbraw/zinc/58/39/63/608583963.db2.gz HSNTUFSVGRMRCJ-UHFFFAOYSA-N -1 1 290.327 1.040 20 0 CDADMM CN(CC(=O)OC(C)(C)C)c1cccc(-c2nn[n-]n2)n1 ZINC000825897499 608583964 /nfs/dbraw/zinc/58/39/64/608583964.db2.gz HSNTUFSVGRMRCJ-UHFFFAOYSA-N -1 1 290.327 1.040 20 0 CDADMM c1ccc(CC2CN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC000826520664 609436889 /nfs/dbraw/zinc/43/68/89/609436889.db2.gz PEDCLXLIXDXMNT-UHFFFAOYSA-N -1 1 293.334 1.336 20 0 CDADMM c1ccc(CC2CN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC000826520664 609436892 /nfs/dbraw/zinc/43/68/92/609436892.db2.gz PEDCLXLIXDXMNT-UHFFFAOYSA-N -1 1 293.334 1.336 20 0 CDADMM O=C(C(=O)N1CC(Cc2ccoc2)C1)c1ccc([O-])cc1 ZINC000890573191 617214758 /nfs/dbraw/zinc/21/47/58/617214758.db2.gz MHBSMSZSMHPFNZ-UHFFFAOYSA-N -1 1 285.299 1.869 20 0 CDADMM O=C(Cc1ccc([O-])c(Cl)c1)NCC[C@@H](O)C1CC1 ZINC000890715467 617300248 /nfs/dbraw/zinc/30/02/48/617300248.db2.gz YLUJVNXDBDVUKC-GFCCVEGCSA-N -1 1 283.755 1.865 20 0 CDADMM O=C([N-]OCCOc1ccccc1)[C@H]1CCOC1 ZINC000889447770 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Cc1nc(Oc2ccc(C=O)cc2)cc(-c2nn[n-]n2)n1 ZINC001606078992 1163767110 /nfs/dbraw/zinc/76/71/10/1163767110.db2.gz WJLSCSQKJMFLDH-UHFFFAOYSA-N -1 1 282.263 1.570 20 0 CDADMM CN(Cc1ccccc1)C1CN(c2cncc(C(=O)[O-])n2)C1 ZINC001606167997 1163796529 /nfs/dbraw/zinc/79/65/29/1163796529.db2.gz GGICXOJWCCSSMQ-UHFFFAOYSA-N -1 1 298.346 1.495 20 0 CDADMM CNC(=O)CCC[N@H+]1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001606269059 1163832106 /nfs/dbraw/zinc/83/21/06/1163832106.db2.gz CZYFMJLKFMWMDP-UHFFFAOYSA-N -1 1 294.326 1.408 20 0 CDADMM F[C@@H]1CCC[C@H](Nc2cccnc2-c2nnn[n-]2)C1 ZINC001606299924 1163845921 /nfs/dbraw/zinc/84/59/21/1163845921.db2.gz MIGJURDKUWNKRR-BDAKNGLRSA-N -1 1 262.292 1.954 20 0 CDADMM F[C@@H]1CCC[C@H](Nc2cccnc2-c2nn[n-]n2)C1 ZINC001606299924 1163845927 /nfs/dbraw/zinc/84/59/27/1163845927.db2.gz MIGJURDKUWNKRR-BDAKNGLRSA-N -1 1 262.292 1.954 20 0 CDADMM O=C([N-]c1nc2cc(Cl)ccn2n1)c1cnsn1 ZINC000813258975 1163846094 /nfs/dbraw/zinc/84/60/94/1163846094.db2.gz WLROPTUJNFAQMN-UHFFFAOYSA-N -1 1 280.700 1.487 20 0 CDADMM F[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001606299987 1163846712 /nfs/dbraw/zinc/84/67/12/1163846712.db2.gz OYBMKQHIQBOAEN-YFKPBYRVSA-N -1 1 288.739 1.915 20 0 CDADMM F[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001606299987 1163846719 /nfs/dbraw/zinc/84/67/19/1163846719.db2.gz OYBMKQHIQBOAEN-YFKPBYRVSA-N -1 1 288.739 1.915 20 0 CDADMM COC(=O)C1(NC[C@H]2CCCC[C@H]2C(=O)[O-])CCCC1 ZINC001606353706 1163877260 /nfs/dbraw/zinc/87/72/60/1163877260.db2.gz DSZTVNLKEIBAHK-VXGBXAGGSA-N -1 1 283.368 1.953 20 0 CDADMM COC(=O)[C@@H]1CCCCCN1C/C(C)=C\C(=O)[O-] ZINC001606403322 1163889998 /nfs/dbraw/zinc/88/99/98/1163889998.db2.gz HOIJJFODVDVVHZ-IEHMKBBKSA-N -1 1 255.314 1.435 20 0 CDADMM O=C(COC(=O)c1ccsc1-c1nnn[n-]1)CC1CC1 ZINC001606563029 1163929988 /nfs/dbraw/zinc/92/99/88/1163929988.db2.gz AHSKZJHJPBCYAT-UHFFFAOYSA-N -1 1 292.320 1.454 20 0 CDADMM O=C(COC(=O)c1ccsc1-c1nn[n-]n1)CC1CC1 ZINC001606563029 1163929992 /nfs/dbraw/zinc/92/99/92/1163929992.db2.gz AHSKZJHJPBCYAT-UHFFFAOYSA-N -1 1 292.320 1.454 20 0 CDADMM O=C(NC[C@@H]1CCCC1=O)c1ccsc1-c1nnn[n-]1 ZINC001606727898 1163974486 /nfs/dbraw/zinc/97/44/86/1163974486.db2.gz UZIVQLLHZLZNEE-ZETCQYMHSA-N -1 1 291.336 1.027 20 0 CDADMM O=C(NC[C@@H]1CCCC1=O)c1ccsc1-c1nn[n-]n1 ZINC001606727898 1163974492 /nfs/dbraw/zinc/97/44/92/1163974492.db2.gz UZIVQLLHZLZNEE-ZETCQYMHSA-N -1 1 291.336 1.027 20 0 CDADMM COC[C@@H](Cc1ccccc1)NCc1cc(C(=O)[O-])no1 ZINC001606804938 1163998943 /nfs/dbraw/zinc/99/89/43/1163998943.db2.gz HQXUPSMGMIBEJR-GFCCVEGCSA-N -1 1 290.319 1.720 20 0 CDADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@]12C[C@H]1CCC2 ZINC001606892608 1164024480 /nfs/dbraw/zinc/02/44/80/1164024480.db2.gz QQLAHBYZNVEVEN-XLKFXECMSA-N -1 1 299.338 1.596 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001606935389 1164035435 /nfs/dbraw/zinc/03/54/35/1164035435.db2.gz VYUJCIYPEWRDOW-UHFFFAOYSA-N -1 1 266.264 1.514 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001606935389 1164035440 /nfs/dbraw/zinc/03/54/40/1164035440.db2.gz VYUJCIYPEWRDOW-UHFFFAOYSA-N -1 1 266.264 1.514 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001607090788 1164075554 /nfs/dbraw/zinc/07/55/54/1164075554.db2.gz YYWSVRHIQLRUBW-LETLQTKMSA-N -1 1 293.277 1.320 20 0 CDADMM c1cc(N2CCOC[C@H]2CC2CC2)cc(-c2nnn[n-]2)n1 ZINC001607119986 1164104121 /nfs/dbraw/zinc/10/41/21/1164104121.db2.gz PCBGCEJPIUUUGX-GFCCVEGCSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(N2CCOC[C@H]2CC2CC2)cc(-c2nn[n-]n2)n1 ZINC001607119986 1164104128 /nfs/dbraw/zinc/10/41/28/1164104128.db2.gz PCBGCEJPIUUUGX-GFCCVEGCSA-N -1 1 286.339 1.267 20 0 CDADMM c1ccc([C@H]2C[C@@H]2Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001607129994 1164109584 /nfs/dbraw/zinc/10/95/84/1164109584.db2.gz YZDFLSTZAMBXNR-MNOVXSKESA-N -1 1 279.307 1.625 20 0 CDADMM c1ccc([C@H]2C[C@@H]2Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001607129994 1164109589 /nfs/dbraw/zinc/10/95/89/1164109589.db2.gz YZDFLSTZAMBXNR-MNOVXSKESA-N -1 1 279.307 1.625 20 0 CDADMM c1ccc([C@@H]2C[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001607130858 1164110290 /nfs/dbraw/zinc/11/02/90/1164110290.db2.gz IRJMORJDPVTXHL-RYUDHWBXSA-N -1 1 293.334 1.872 20 0 CDADMM c1ccc([C@@H]2C[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001607130858 1164110295 /nfs/dbraw/zinc/11/02/95/1164110295.db2.gz IRJMORJDPVTXHL-RYUDHWBXSA-N -1 1 293.334 1.872 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(SC[C@H]2CCCO2)c1 ZINC001607133365 1164112175 /nfs/dbraw/zinc/11/21/75/1164112175.db2.gz FCGHCBQHFYHSLV-MRVPVSSYSA-N -1 1 263.326 1.533 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(SC[C@H]2CCCO2)c1 ZINC001607133365 1164112179 /nfs/dbraw/zinc/11/21/79/1164112179.db2.gz FCGHCBQHFYHSLV-MRVPVSSYSA-N -1 1 263.326 1.533 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC001607136748 1164116363 /nfs/dbraw/zinc/11/63/63/1164116363.db2.gz RPHPHEDFLHTJLX-GUBZILKMSA-N -1 1 271.328 1.505 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC001607136748 1164116367 /nfs/dbraw/zinc/11/63/67/1164116367.db2.gz RPHPHEDFLHTJLX-GUBZILKMSA-N -1 1 271.328 1.505 20 0 CDADMM COc1ccc(C(=O)[O-])cc1C[N@H+]1CCC[C@]1(C)C(=O)[O-] ZINC001607215690 1164131778 /nfs/dbraw/zinc/13/17/78/1164131778.db2.gz GPTLTQMSODVKJU-OAHLLOKOSA-N -1 1 293.319 1.833 20 0 CDADMM C[C@@H](C(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)N(C)C ZINC001607414972 1164172099 /nfs/dbraw/zinc/17/20/99/1164172099.db2.gz FJCQWMNTUBQUTR-YIZRAAEISA-N -1 1 296.289 1.048 20 0 CDADMM C[C@H]1CN(c2nc(Cl)nc3[nH]cnc32)CC[C@H]1C(=O)[O-] ZINC001607478101 1164197387 /nfs/dbraw/zinc/19/73/87/1164197387.db2.gz FBPDUNYWBQOESD-NKWVEPMBSA-N -1 1 295.730 1.553 20 0 CDADMM O=S(=O)([N-][C@@H]1CC[C@H]1O)c1c(Cl)ccnc1Cl ZINC000819907063 1164204189 /nfs/dbraw/zinc/20/41/89/1164204189.db2.gz MKPSOCCPZJEGKG-RNFRBKRXSA-N -1 1 297.163 1.190 20 0 CDADMM Cc1c(C(=O)Nc2cccc(C(=O)[O-])n2)ccc2cncn21 ZINC001607509981 1164211828 /nfs/dbraw/zinc/21/18/28/1164211828.db2.gz PTSIBSSHCLUTMX-UHFFFAOYSA-N -1 1 296.286 1.988 20 0 CDADMM Cc1ccnc(NC(=O)CN(C)CC2(CC(=O)[O-])CC2)c1 ZINC001607895320 1164326502 /nfs/dbraw/zinc/32/65/02/1164326502.db2.gz QGECPACSRNWEJQ-UHFFFAOYSA-N -1 1 291.351 1.515 20 0 CDADMM Cc1nnc(CN[C@@]2(C)CCCC[C@@H]2C(=O)[O-])o1 ZINC001608016626 1164377896 /nfs/dbraw/zinc/37/78/96/1164377896.db2.gz QVMHNRJDDXZNKQ-SKDRFNHKSA-N -1 1 253.302 1.501 20 0 CDADMM O=C([O-])[C@@H](CF)NS(=O)(=O)c1sccc1Cl ZINC001608533509 1164534947 /nfs/dbraw/zinc/53/49/47/1164534947.db2.gz MTYWRQVUPMWKJS-RXMQYKEDSA-N -1 1 287.721 1.103 20 0 CDADMM O=C([O-])C12CCC(C(=O)N3CCN4CCC3CC4)(CC1)C2 ZINC001608582682 1164556026 /nfs/dbraw/zinc/55/60/26/1164556026.db2.gz MBJLYSDEJKEHGP-UHFFFAOYSA-N -1 1 292.379 1.328 20 0 CDADMM O=C([O-])C1CN(C(=O)c2cc(-c3cccs3)[nH]n2)C1 ZINC001608643537 1164588075 /nfs/dbraw/zinc/58/80/75/1164588075.db2.gz GFNHXIVCBSHWGR-UHFFFAOYSA-N -1 1 277.305 1.295 20 0 CDADMM O=C([O-])[C@@H]1OCC[C@@H]1NCc1ccnc(Cl)c1Cl ZINC001608815120 1164646110 /nfs/dbraw/zinc/64/61/10/1164646110.db2.gz VNZORPJBDNQDSN-IONNQARKSA-N -1 1 291.134 1.720 20 0 CDADMM O=C([O-])c1cc(CN2CCC(c3c[nH]cn3)CC2)on1 ZINC001608841845 1164659182 /nfs/dbraw/zinc/65/91/82/1164659182.db2.gz LREDXKKIZCEHQQ-UHFFFAOYSA-N -1 1 276.296 1.476 20 0 CDADMM O=C([O-])c1ccc(CN[C@H]2COc3ccccc3[C@@H]2O)o1 ZINC001608886064 1164676257 /nfs/dbraw/zinc/67/62/57/1164676257.db2.gz HESUBZQOWRUQDS-FZMZJTMJSA-N -1 1 289.287 1.562 20 0 CDADMM O=C([O-])c1n[nH]cc1NC(=O)c1cccc2nc[nH]c21 ZINC001608995268 1164715010 /nfs/dbraw/zinc/71/50/10/1164715010.db2.gz OUOJKMUQBAHLLU-UHFFFAOYSA-N -1 1 271.236 1.237 20 0 CDADMM CC(C)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001609091141 1164765553 /nfs/dbraw/zinc/76/55/53/1164765553.db2.gz LEQORUDTIZXUPX-LLVKDONJSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001609091141 1164765557 /nfs/dbraw/zinc/76/55/57/1164765557.db2.gz LEQORUDTIZXUPX-LLVKDONJSA-N -1 1 287.371 1.919 20 0 CDADMM C[C@@H](Nc1ncncc1-c1nn[n-]n1)c1ccccn1 ZINC001609127144 1164782341 /nfs/dbraw/zinc/78/23/41/1164782341.db2.gz WLKYCOCHDXAOIP-MRVPVSSYSA-N -1 1 268.284 1.225 20 0 CDADMM CC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CCS1 ZINC001609146150 1164791917 /nfs/dbraw/zinc/79/19/17/1164791917.db2.gz SNLDQNNOVWZSDX-UHFFFAOYSA-N -1 1 291.384 1.379 20 0 CDADMM CC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CCS1 ZINC001609146150 1164791924 /nfs/dbraw/zinc/79/19/24/1164791924.db2.gz SNLDQNNOVWZSDX-UHFFFAOYSA-N -1 1 291.384 1.379 20 0 CDADMM CC1(C)C[C@H]1CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609144917 1164794342 /nfs/dbraw/zinc/79/43/42/1164794342.db2.gz SNEQKYMPNKTJSD-QMMMGPOBSA-N -1 1 277.353 1.704 20 0 CDADMM CC1(C)CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001609146261 1164794534 /nfs/dbraw/zinc/79/45/34/1164794534.db2.gz XXJFGZFGNQBOBR-UHFFFAOYSA-N -1 1 286.339 1.524 20 0 CDADMM CC1(C)CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001609146261 1164794540 /nfs/dbraw/zinc/79/45/40/1164794540.db2.gz XXJFGZFGNQBOBR-UHFFFAOYSA-N -1 1 286.339 1.524 20 0 CDADMM C[C@@H]1CCCCCN1Cn1cccc(-c2nnn[n-]2)c1=O ZINC001609165507 1164811651 /nfs/dbraw/zinc/81/16/51/1164811651.db2.gz OWRBUPQWYHTIPX-LLVKDONJSA-N -1 1 288.355 1.250 20 0 CDADMM CC[C@@H]1CCC[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609199831 1164838162 /nfs/dbraw/zinc/83/81/62/1164838162.db2.gz GTBZHYQKWSACLE-ZJUUUORDSA-N -1 1 286.339 1.570 20 0 CDADMM CC[C@@H]1CCC[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609199831 1164838167 /nfs/dbraw/zinc/83/81/67/1164838167.db2.gz GTBZHYQKWSACLE-ZJUUUORDSA-N -1 1 286.339 1.570 20 0 CDADMM CC[C@@H]1[C@H](C)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001609199404 1164838916 /nfs/dbraw/zinc/83/89/16/1164838916.db2.gz WAARWZVFELHVDB-PSASIEDQSA-N -1 1 259.317 1.282 20 0 CDADMM CC[C@@H]1[C@H](C)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001609199404 1164838920 /nfs/dbraw/zinc/83/89/20/1164838920.db2.gz WAARWZVFELHVDB-PSASIEDQSA-N -1 1 259.317 1.282 20 0 CDADMM CO[C@@]1(C)CCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001609312878 1164895662 /nfs/dbraw/zinc/89/56/62/1164895662.db2.gz VCRAEUMAHNZKTO-ZDUSSCGKSA-N -1 1 274.328 1.267 20 0 CDADMM CO[C@@]1(C)CCCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001609312878 1164895673 /nfs/dbraw/zinc/89/56/73/1164895673.db2.gz VCRAEUMAHNZKTO-ZDUSSCGKSA-N -1 1 274.328 1.267 20 0 CDADMM COc1cnc(C=Cc2cccc(-c3nn[nH]n3)c2)[n-]c1=O ZINC001609333121 1164905966 /nfs/dbraw/zinc/90/59/66/1164905966.db2.gz NCQCKJXGLZZMCS-WAYWQWQTSA-N -1 1 296.290 1.541 20 0 CDADMM Cc1cc(NC[C@@H]2C[C@@H](C)O[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001609409644 1164935770 /nfs/dbraw/zinc/93/57/70/1164935770.db2.gz RHAUSYMSNHEOED-VWYCJHECSA-N -1 1 288.355 1.796 20 0 CDADMM Cc1cc(NC[C@@H]2C[C@@H](C)O[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001609409644 1164935775 /nfs/dbraw/zinc/93/57/75/1164935775.db2.gz RHAUSYMSNHEOED-VWYCJHECSA-N -1 1 288.355 1.796 20 0 CDADMM Cc1cccc(CCNC(=O)c2ccc(-c3nnn[n-]3)o2)n1 ZINC001609431433 1164942499 /nfs/dbraw/zinc/94/24/99/1164942499.db2.gz GVKPIMVVRCWFMD-UHFFFAOYSA-N -1 1 298.306 1.136 20 0 CDADMM Cc1cccc(CCNC(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001609431433 1164942504 /nfs/dbraw/zinc/94/25/04/1164942504.db2.gz GVKPIMVVRCWFMD-UHFFFAOYSA-N -1 1 298.306 1.136 20 0 CDADMM Cc1ccn(C/C(Cl)=C/Cl)c(=O)c1-c1nn[n-]n1 ZINC001609437380 1164945657 /nfs/dbraw/zinc/94/56/57/1164945657.db2.gz CJJLJWMYCWWLCJ-DAXSKMNVSA-N -1 1 286.122 1.656 20 0 CDADMM Cc1ccccc1CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001609436322 1164946549 /nfs/dbraw/zinc/94/65/49/1164946549.db2.gz JGRZJSUTOVHQKY-UHFFFAOYSA-N -1 1 295.350 1.644 20 0 CDADMM Cc1ccccc1CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001609436322 1164946552 /nfs/dbraw/zinc/94/65/52/1164946552.db2.gz JGRZJSUTOVHQKY-UHFFFAOYSA-N -1 1 295.350 1.644 20 0 CDADMM Cc1nsc(N2CCCSCC2)c1-c1nn[n-]n1 ZINC001609463751 1164962970 /nfs/dbraw/zinc/96/29/70/1164962970.db2.gz GDQPXTPSOSCUNV-UHFFFAOYSA-N -1 1 282.398 1.575 20 0 CDADMM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(-c2nnn[n-]2)o1 ZINC001609540617 1164984502 /nfs/dbraw/zinc/98/45/02/1164984502.db2.gz HJXYTPZONFEBMH-IWSPIJDZSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(-c2nn[n-]n2)o1 ZINC001609540617 1164984508 /nfs/dbraw/zinc/98/45/08/1164984508.db2.gz HJXYTPZONFEBMH-IWSPIJDZSA-N -1 1 273.296 1.378 20 0 CDADMM c1cc(N2CCC[C@@H]3CCC[C@H]32)nc(-c2nn[n-]n2)n1 ZINC001609614375 1165008488 /nfs/dbraw/zinc/00/84/88/1165008488.db2.gz MYIQGVSMVZEXDM-VHSXEESVSA-N -1 1 271.328 1.426 20 0 CDADMM c1[nH]nc(NCC2CCCCCC2)c1-c1nnn[n-]1 ZINC001609620209 1165014718 /nfs/dbraw/zinc/01/47/18/1165014718.db2.gz NSFYOISWVAYWCH-UHFFFAOYSA-N -1 1 261.333 1.972 20 0 CDADMM c1[nH]nc(NCC2CCCCCC2)c1-c1nn[n-]n1 ZINC001609620209 1165014719 /nfs/dbraw/zinc/01/47/19/1165014719.db2.gz NSFYOISWVAYWCH-UHFFFAOYSA-N -1 1 261.333 1.972 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NC1CCC2(CC2)CC1 ZINC001609619804 1165014780 /nfs/dbraw/zinc/01/47/80/1165014780.db2.gz DSLUJNKSRQQOSU-UHFFFAOYSA-N -1 1 271.328 1.791 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NC1CCC2(CC2)CC1 ZINC001609619804 1165014783 /nfs/dbraw/zinc/01/47/83/1165014783.db2.gz DSLUJNKSRQQOSU-UHFFFAOYSA-N -1 1 271.328 1.791 20 0 CDADMM C[C@H]1CN(Cc2cc(C(=O)[O-])n(C)c2)CC2(CCC2)O1 ZINC001609871190 1165122320 /nfs/dbraw/zinc/12/23/20/1165122320.db2.gz UTEJKLPJOPJVHH-NSHDSACASA-N -1 1 278.352 1.867 20 0 CDADMM CCc1[nH]ncc1C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001610055607 1165198358 /nfs/dbraw/zinc/19/83/58/1165198358.db2.gz DOXWCRLJUHASQJ-UHFFFAOYSA-N -1 1 274.280 1.505 20 0 CDADMM Cc1csc(CN2CCSC[C@@H](C(=O)[O-])C2)n1 ZINC001610546103 1165349501 /nfs/dbraw/zinc/34/95/01/1165349501.db2.gz JLFVMJOEAGJNGU-VIFPVBQESA-N -1 1 272.395 1.701 20 0 CDADMM Cc1nn(-c2cccc(F)c2)cc1CN[C@@H](CF)C(=O)[O-] ZINC001610567782 1165359578 /nfs/dbraw/zinc/35/95/78/1165359578.db2.gz YNLWESOSWIYASG-ZDUSSCGKSA-N -1 1 295.289 1.832 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)Cn1cnc2ccccc21 ZINC001625355443 1165902839 /nfs/dbraw/zinc/90/28/39/1165902839.db2.gz YHYCXZUFWABLOE-UHFFFAOYSA-N -1 1 271.280 1.412 20 0 CDADMM Cc1nc(C)c(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)[nH]1 ZINC001627164940 1165980658 /nfs/dbraw/zinc/98/06/58/1165980658.db2.gz MCNVFDGHMANKMR-UHFFFAOYSA-N -1 1 298.306 1.770 20 0 CDADMM CN(CCCC(=O)[O-])CC(=O)Nc1ccccc1 ZINC000042717156 1166083504 /nfs/dbraw/zinc/08/35/04/1166083504.db2.gz NRPAEPAUKVQBEU-UHFFFAOYSA-N -1 1 250.298 1.422 20 0 CDADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(Cc2ccncc2)C1 ZINC000877776094 1166098477 /nfs/dbraw/zinc/09/84/77/1166098477.db2.gz XYMNHLCXDRKAAF-LBPRGKRZSA-N -1 1 287.285 1.725 20 0 CDADMM Cc1cccc(C(=O)NCc2nc([O-])cc(=O)[nH]2)c1 ZINC001630642163 1166219761 /nfs/dbraw/zinc/21/97/61/1166219761.db2.gz KRTYJXFHYPLSFQ-UHFFFAOYSA-N -1 1 259.265 1.126 20 0 CDADMM Cc1nc2ccc(NC(=O)c3cc(=O)n(C)[n-]3)cc2[nH]1 ZINC001631290442 1166265880 /nfs/dbraw/zinc/26/58/80/1166265880.db2.gz GOCUWBNPOCHYSW-UHFFFAOYSA-N -1 1 271.280 1.563 20 0 CDADMM CCc1cc(=O)n(-c2cccc(-c3nn[nH]n3)c2)[n-]1 ZINC000095285314 1166618854 /nfs/dbraw/zinc/61/88/54/1166618854.db2.gz OIJQFMAPZMNKIO-UHFFFAOYSA-N -1 1 256.269 1.369 20 0 CDADMM O=C(NCc1ccncn1)c1c([O-])cccc1Cl ZINC001635975295 1166637814 /nfs/dbraw/zinc/63/78/14/1166637814.db2.gz DGUOPNIWQUXFAN-UHFFFAOYSA-N -1 1 263.684 1.766 20 0 CDADMM O=C(N[C@@H](CO)c1cc(F)ccc1F)c1ncccc1[O-] ZINC001412795730 1166804448 /nfs/dbraw/zinc/80/44/48/1166804448.db2.gz MXOOCTPZVILMEL-NSHDSACASA-N -1 1 294.257 1.529 20 0 CDADMM COc1nccc(C(=O)[N-]c2nc(-c3ccccc3)no2)n1 ZINC001638267940 1166832874 /nfs/dbraw/zinc/83/28/74/1166832874.db2.gz NBDUHMHSJBJQSP-UHFFFAOYSA-N -1 1 297.274 1.788 20 0 CDADMM O=C(N[C@@H]1C[C@@H]1C1CC1)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155276688 1167113848 /nfs/dbraw/zinc/11/38/48/1167113848.db2.gz QONQTRZIQFNFIR-GHMZBOCLSA-N -1 1 257.293 1.797 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1ccn(Cc2ccccc2)n1 ZINC001641600506 1167123084 /nfs/dbraw/zinc/12/30/84/1167123084.db2.gz BQQOOTWMRPRICW-UHFFFAOYSA-N -1 1 283.291 1.612 20 0 CDADMM CC[C@@H](C)n1nc(C(=O)Nc2c[n-][nH]c2=O)cc1C ZINC001641601508 1167124566 /nfs/dbraw/zinc/12/45/66/1167124566.db2.gz RVRUGNDKZAQJSO-SSDOTTSWSA-N -1 1 263.301 1.844 20 0 CDADMM O=C([O-])c1ccccc1C1CCN(Cc2nnc[nH]2)CC1 ZINC001645954321 1167586751 /nfs/dbraw/zinc/58/67/51/1167586751.db2.gz XTNJOMZEOLZDPG-UHFFFAOYSA-N -1 1 286.335 1.883 20 0 CDADMM O=C(NCc1ccc2nonc2c1)c1ccc(F)c([O-])c1 ZINC001646813621 1168153971 /nfs/dbraw/zinc/15/39/71/1168153971.db2.gz BPXNYILBFOCXLQ-UHFFFAOYSA-N -1 1 287.250 1.998 20 0 CDADMM Cc1ccccc1[C@H](N)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001647327548 1168563271 /nfs/dbraw/zinc/56/32/71/1168563271.db2.gz NMRHHJHOGRJPII-BNOWGMLFSA-N -1 1 290.363 1.564 20 0 CDADMM Cc1cc(S(=O)(=O)[N-]CCC2CCOCC2)sn1 ZINC001647335423 1168572157 /nfs/dbraw/zinc/57/21/57/1168572157.db2.gz SFJKGAZBYPGPQX-UHFFFAOYSA-N -1 1 290.410 1.547 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2cccc3c(=O)[nH]ccc23)c1[O-] ZINC001569033634 1169605565 /nfs/dbraw/zinc/60/55/65/1169605565.db2.gz ZUDVXKDHWXBCIT-UHFFFAOYSA-N -1 1 284.275 1.930 20 0 CDADMM COC[C@]1(C(=O)[O-])CCCN(Cc2nc(C)c(C)[nH]2)C1 ZINC001650012787 1169605728 /nfs/dbraw/zinc/60/57/28/1169605728.db2.gz ASISHWQXYUIRMS-AWEZNQCLSA-N -1 1 281.356 1.340 20 0 CDADMM CN(C(=O)[C@]1(C)CCc2ccccc2C1)c1nn[n-]n1 ZINC001650027398 1169627245 /nfs/dbraw/zinc/62/72/45/1169627245.db2.gz KBYBTSQMYLXXPH-CQSZACIVSA-N -1 1 271.324 1.358 20 0 CDADMM O=C(Nc1cc([O-])c(F)cc1F)c1cccn2nnnc12 ZINC001570103102 1170079947 /nfs/dbraw/zinc/07/99/47/1170079947.db2.gz CUFMZBWFDYKKAX-UHFFFAOYSA-N -1 1 291.217 1.360 20 0 CDADMM Cc1nc(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)sc1C(=O)[O-] ZINC001574187643 1170911464 /nfs/dbraw/zinc/91/14/64/1170911464.db2.gz HTQLWMJAOSOQRH-RNFRBKRXSA-N -1 1 292.320 1.615 20 0 CDADMM CC[C@H]1[C@@H](C)CCN1c1nnc(-c2c[n-][nH]c2=O)n1C ZINC001650279167 1170915524 /nfs/dbraw/zinc/91/55/24/1170915524.db2.gz PJFALCXRMGZSCC-WPRPVWTQSA-N -1 1 276.344 1.536 20 0 CDADMM O=C([O-])c1noc(CN[C@@H]2CCOCC23CCCC3)n1 ZINC001574429905 1170981269 /nfs/dbraw/zinc/98/12/69/1170981269.db2.gz VEZBBCPDJBGEHR-SECBINFHSA-N -1 1 281.312 1.207 20 0 CDADMM C[C@@H](O)[C@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ccccc1 ZINC001575475157 1171179854 /nfs/dbraw/zinc/17/98/54/1171179854.db2.gz UDQJIATZOPQHDD-RNCFNFMXSA-N -1 1 297.322 1.191 20 0 CDADMM C[C@@H](O)[C@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ccccc1 ZINC001575475157 1171179856 /nfs/dbraw/zinc/17/98/56/1171179856.db2.gz UDQJIATZOPQHDD-RNCFNFMXSA-N -1 1 297.322 1.191 20 0 CDADMM Cn1c(C(=O)Nc2c[n-][nH]c2=O)cc2ccccc21 ZINC001651044643 1171282409 /nfs/dbraw/zinc/28/24/09/1171282409.db2.gz RZKUEQZHDXAGSI-UHFFFAOYSA-N -1 1 256.265 1.859 20 0 CDADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001580441792 1172438119 /nfs/dbraw/zinc/43/81/19/1172438119.db2.gz VITVFXRPTDIPLM-VIFPVBQESA-N -1 1 267.296 1.830 20 0 CDADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001580441792 1172438126 /nfs/dbraw/zinc/43/81/26/1172438126.db2.gz VITVFXRPTDIPLM-VIFPVBQESA-N -1 1 267.296 1.830 20 0 CDADMM Cc1nocc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001581644914 1172617983 /nfs/dbraw/zinc/61/79/83/1172617983.db2.gz SLRHGPHCHLWMLR-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM O=C(NC/C=C/Cl)NCc1ccc(-c2nn[n-]n2)s1 ZINC001582493005 1172679307 /nfs/dbraw/zinc/67/93/07/1172679307.db2.gz UNPUXYLTWUMBBC-DAFODLJHSA-N -1 1 298.759 1.480 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@H]1CCSC1 ZINC001582548151 1172681955 /nfs/dbraw/zinc/68/19/55/1172681955.db2.gz HJUFFVSJRXYWFL-ZETCQYMHSA-N -1 1 295.393 1.298 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccsn1 ZINC001582633766 1172685393 /nfs/dbraw/zinc/68/53/93/1172685393.db2.gz BVRLGAVECHISMM-UHFFFAOYSA-N -1 1 288.292 1.281 20 0 CDADMM O=C(Nc1cccc(O)c1)c1ccsc1-c1nnn[n-]1 ZINC001582644719 1172687668 /nfs/dbraw/zinc/68/76/68/1172687668.db2.gz LUMMZEHJYUKOTL-UHFFFAOYSA-N -1 1 287.304 1.886 20 0 CDADMM O=C(Nc1cccc(O)c1)c1ccsc1-c1nn[n-]n1 ZINC001582644719 1172687673 /nfs/dbraw/zinc/68/76/73/1172687673.db2.gz LUMMZEHJYUKOTL-UHFFFAOYSA-N -1 1 287.304 1.886 20 0 CDADMM O=Cc1cc(F)ccc1OCc1ccc(-c2nnn[n-]2)o1 ZINC001582790910 1172693028 /nfs/dbraw/zinc/69/30/28/1172693028.db2.gz PGMMTCDVQQGGAH-UHFFFAOYSA-N -1 1 288.238 1.990 20 0 CDADMM O=Cc1cc(F)ccc1OCc1ccc(-c2nn[n-]n2)o1 ZINC001582790910 1172693034 /nfs/dbraw/zinc/69/30/34/1172693034.db2.gz PGMMTCDVQQGGAH-UHFFFAOYSA-N -1 1 288.238 1.990 20 0 CDADMM CC[C@@H](COC)[N-]S(=O)(=O)c1sc(Cl)nc1C ZINC000079747042 1172828947 /nfs/dbraw/zinc/82/89/47/1172828947.db2.gz HPNUJQILOCOPGF-ZETCQYMHSA-N -1 1 298.817 1.808 20 0 CDADMM C[C@@H](NC(=O)c1cccc([O-])c1F)c1cnn(C)c1 ZINC001586679538 1172954821 /nfs/dbraw/zinc/95/48/21/1172954821.db2.gz JLGXXPRMTQIGTE-MRVPVSSYSA-N -1 1 263.272 1.756 20 0 CDADMM C=COc1ccc(Nc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001588716254 1173099674 /nfs/dbraw/zinc/09/96/74/1173099674.db2.gz BAOICEHMGOSGDQ-UHFFFAOYSA-N -1 1 280.291 1.950 20 0 CDADMM C=COc1ccc(Nc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001588716254 1173099681 /nfs/dbraw/zinc/09/96/81/1173099681.db2.gz BAOICEHMGOSGDQ-UHFFFAOYSA-N -1 1 280.291 1.950 20 0 CDADMM CC(C)(C)n1cc(C=Cc2cnc(-c3nnn[n-]3)cn2)nn1 ZINC001589259495 1173131703 /nfs/dbraw/zinc/13/17/03/1173131703.db2.gz YAFGQTROOHJMQO-SNAWJCMRSA-N -1 1 297.326 1.174 20 0 CDADMM CC(C)(C)n1cc(C=Cc2cnc(-c3nn[n-]n3)cn2)nn1 ZINC001589259495 1173131704 /nfs/dbraw/zinc/13/17/04/1173131704.db2.gz YAFGQTROOHJMQO-SNAWJCMRSA-N -1 1 297.326 1.174 20 0 CDADMM CC(C)(CNc1ncncc1-c1nn[n-]n1)c1cccnc1 ZINC001589292399 1173135300 /nfs/dbraw/zinc/13/53/00/1173135300.db2.gz LVVHZUTWIBNXLQ-UHFFFAOYSA-N -1 1 296.338 1.441 20 0 CDADMM CC(C)/C=C/C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001589520601 1173152854 /nfs/dbraw/zinc/15/28/54/1173152854.db2.gz HJWJHQLSPHEVAO-ZZXKWVIFSA-N -1 1 262.269 1.715 20 0 CDADMM CC(C)[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)[C@H]1C(C)C ZINC001589519411 1173153317 /nfs/dbraw/zinc/15/33/17/1173153317.db2.gz XWGPGVBYDQGRAI-MFKMUULPSA-N -1 1 287.371 1.774 20 0 CDADMM CC(C)[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)[C@H]1C(C)C ZINC001589519411 1173153324 /nfs/dbraw/zinc/15/33/24/1173153324.db2.gz XWGPGVBYDQGRAI-MFKMUULPSA-N -1 1 287.371 1.774 20 0 CDADMM CC(C)[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)[C@H]1C(C)C ZINC001589520650 1173153530 /nfs/dbraw/zinc/15/35/30/1173153530.db2.gz XCIGEGCIDZWMPR-MFKMUULPSA-N -1 1 287.371 1.774 20 0 CDADMM CC(C)[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)[C@H]1C(C)C ZINC001589520650 1173153535 /nfs/dbraw/zinc/15/35/35/1173153535.db2.gz XCIGEGCIDZWMPR-MFKMUULPSA-N -1 1 287.371 1.774 20 0 CDADMM CC(C)[C@@H]1N(c2ccnc(-c3nn[n-]n3)n2)CC12CC=CC2 ZINC001589518738 1173153665 /nfs/dbraw/zinc/15/36/65/1173153665.db2.gz IZYGNIIWLNMMEJ-LBPRGKRZSA-N -1 1 297.366 1.838 20 0 CDADMM CC(C)C[C@@H]1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001589572971 1173161353 /nfs/dbraw/zinc/16/13/53/1173161353.db2.gz SEYIJSZCPSFKDM-JTQLQIEISA-N -1 1 289.339 1.968 20 0 CDADMM CC(C)C[C@@H]1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001589572971 1173161356 /nfs/dbraw/zinc/16/13/56/1173161356.db2.gz SEYIJSZCPSFKDM-JTQLQIEISA-N -1 1 289.339 1.968 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC001589944603 1173207292 /nfs/dbraw/zinc/20/72/92/1173207292.db2.gz OMOXJPULEPIPEE-SCSAIBSYSA-N -1 1 291.258 1.609 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC001589944603 1173207297 /nfs/dbraw/zinc/20/72/97/1173207297.db2.gz OMOXJPULEPIPEE-SCSAIBSYSA-N -1 1 291.258 1.609 20 0 CDADMM C[C@H](c1ccc(F)cc1)N(C)c1cc(-c2nnn[n-]2)ncn1 ZINC001590040542 1173235767 /nfs/dbraw/zinc/23/57/67/1173235767.db2.gz OUUDHZYNVZLCAT-SECBINFHSA-N -1 1 299.313 1.993 20 0 CDADMM C[C@H](c1ccc(F)cc1)N(C)c1cc(-c2nn[n-]n2)ncn1 ZINC001590040542 1173235774 /nfs/dbraw/zinc/23/57/74/1173235774.db2.gz OUUDHZYNVZLCAT-SECBINFHSA-N -1 1 299.313 1.993 20 0 CDADMM CC1(C)[C@@H]2CN(C(=O)c3coc(-c4nnn[n-]4)c3)C[C@@H]21 ZINC001590078818 1173248166 /nfs/dbraw/zinc/24/81/66/1173248166.db2.gz CGNSWMFMNNUEEW-DTORHVGOSA-N -1 1 273.296 1.188 20 0 CDADMM CC1(C)[C@@H]2CN(C(=O)c3coc(-c4nn[n-]n4)c3)C[C@@H]21 ZINC001590078818 1173248170 /nfs/dbraw/zinc/24/81/70/1173248170.db2.gz CGNSWMFMNNUEEW-DTORHVGOSA-N -1 1 273.296 1.188 20 0 CDADMM CC1(C)C[C@@H](OC(=O)c2coc(-c3nnn[n-]3)c2)CCO1 ZINC001590085812 1173250522 /nfs/dbraw/zinc/25/05/22/1173250522.db2.gz UTTFVOAZMYXHJN-VIFPVBQESA-N -1 1 292.295 1.574 20 0 CDADMM CC1(C)C[C@@H](OC(=O)c2coc(-c3nn[n-]n3)c2)CCO1 ZINC001590085812 1173250524 /nfs/dbraw/zinc/25/05/24/1173250524.db2.gz UTTFVOAZMYXHJN-VIFPVBQESA-N -1 1 292.295 1.574 20 0 CDADMM CC1(C)C[C@]1(C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590087672 1173252493 /nfs/dbraw/zinc/25/24/93/1173252493.db2.gz WQXOJALTDBWYMP-LBPRGKRZSA-N -1 1 261.285 1.378 20 0 CDADMM CC1(C)C[C@]1(C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590087672 1173252499 /nfs/dbraw/zinc/25/24/99/1173252499.db2.gz WQXOJALTDBWYMP-LBPRGKRZSA-N -1 1 261.285 1.378 20 0 CDADMM C[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)c2nccn21 ZINC001590202387 1173288895 /nfs/dbraw/zinc/28/88/95/1173288895.db2.gz GSKDRSPHYNZHJD-SFYZADRCSA-N -1 1 299.294 1.092 20 0 CDADMM C[C@@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)CCS1 ZINC001590207424 1173293613 /nfs/dbraw/zinc/29/36/13/1173293613.db2.gz DPYRIGISKFZLDN-BDAKNGLRSA-N -1 1 276.369 1.958 20 0 CDADMM C[C@@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)CCS1 ZINC001590207424 1173293617 /nfs/dbraw/zinc/29/36/17/1173293617.db2.gz DPYRIGISKFZLDN-BDAKNGLRSA-N -1 1 276.369 1.958 20 0 CDADMM C[C@H]1CCC[C@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001590238409 1173311954 /nfs/dbraw/zinc/31/19/54/1173311954.db2.gz GMOIDPUNIBKRMG-YUMQZZPRSA-N -1 1 275.316 1.355 20 0 CDADMM C[C@H]1CCC[C@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001590238409 1173311960 /nfs/dbraw/zinc/31/19/60/1173311960.db2.gz GMOIDPUNIBKRMG-YUMQZZPRSA-N -1 1 275.316 1.355 20 0 CDADMM C[C@@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001590240450 1173312811 /nfs/dbraw/zinc/31/28/11/1173312811.db2.gz SWVKWRKOZJWWTR-BBBLOLIVSA-N -1 1 273.344 1.315 20 0 CDADMM C[C@@H]1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001590240161 1173313721 /nfs/dbraw/zinc/31/37/21/1173313721.db2.gz CXQRYIBXPZZILC-VWYCJHECSA-N -1 1 287.371 1.563 20 0 CDADMM C[C@@H]1CCC[C@H](C)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001590244985 1173317961 /nfs/dbraw/zinc/31/79/61/1173317961.db2.gz XKFLFNAVLDSGIZ-VHSXEESVSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1CCC[C@H](C)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001590244985 1173317966 /nfs/dbraw/zinc/31/79/66/1173317966.db2.gz XKFLFNAVLDSGIZ-VHSXEESVSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)[C@H]1CCO ZINC001590262631 1173328370 /nfs/dbraw/zinc/32/83/70/1173328370.db2.gz WYRKUTKPCZHJRT-PWSUYJOCSA-N -1 1 288.355 1.249 20 0 CDADMM C[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)[C@H]1CCO ZINC001590262631 1173328379 /nfs/dbraw/zinc/32/83/79/1173328379.db2.gz WYRKUTKPCZHJRT-PWSUYJOCSA-N -1 1 288.355 1.249 20 0 CDADMM C[C@H]1CN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001590294129 1173338321 /nfs/dbraw/zinc/33/83/21/1173338321.db2.gz KNUYNZZJYWDAFK-IUCAKERBSA-N -1 1 287.327 1.381 20 0 CDADMM C[C@H]1CN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001590294129 1173338331 /nfs/dbraw/zinc/33/83/31/1173338331.db2.gz KNUYNZZJYWDAFK-IUCAKERBSA-N -1 1 287.327 1.381 20 0 CDADMM C/C=C/C[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590354930 1173369511 /nfs/dbraw/zinc/36/95/11/1173369511.db2.gz NRNBUBADQSVNQV-KXMPLOMGSA-N -1 1 285.355 1.839 20 0 CDADMM CC[C@H](COCC1CC1)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001590447009 1173411752 /nfs/dbraw/zinc/41/17/52/1173411752.db2.gz IWHLYCHAJDTFAR-SNVBAGLBSA-N -1 1 289.343 1.274 20 0 CDADMM CC[C@H](COCC1CC1)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001590447009 1173411754 /nfs/dbraw/zinc/41/17/54/1173411754.db2.gz IWHLYCHAJDTFAR-SNVBAGLBSA-N -1 1 289.343 1.274 20 0 CDADMM CC[C@@]1(C)CN(Cc2nc(-c3nnn[n-]3)cs2)CCO1 ZINC001590490710 1173430714 /nfs/dbraw/zinc/43/07/14/1173430714.db2.gz QXZHTSWWKJRUJP-LBPRGKRZSA-N -1 1 294.384 1.324 20 0 CDADMM CC[C@@]1(C)CN(Cc2nc(-c3nn[n-]n3)cs2)CCO1 ZINC001590490710 1173430720 /nfs/dbraw/zinc/43/07/20/1173430720.db2.gz QXZHTSWWKJRUJP-LBPRGKRZSA-N -1 1 294.384 1.324 20 0 CDADMM CC[C@@H]1CN(c2ccnc(-c3nnn[n-]3)c2)[C@@H](C)CO1 ZINC001590520833 1173449468 /nfs/dbraw/zinc/44/94/68/1173449468.db2.gz JOSJTKIODXHGAI-GXSJLCMTSA-N -1 1 274.328 1.265 20 0 CDADMM CC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)c2)[C@@H](C)CO1 ZINC001590520833 1173449470 /nfs/dbraw/zinc/44/94/70/1173449470.db2.gz JOSJTKIODXHGAI-GXSJLCMTSA-N -1 1 274.328 1.265 20 0 CDADMM CCC[C@@H]1CCCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001590570488 1173466514 /nfs/dbraw/zinc/46/65/14/1173466514.db2.gz QVAPNTUWKHUQRA-SNVBAGLBSA-N -1 1 273.344 1.673 20 0 CDADMM CCOc1ccc(CNc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001590835929 1173525719 /nfs/dbraw/zinc/52/57/19/1173525719.db2.gz KUZRWHBMCBTOSS-UHFFFAOYSA-N -1 1 296.334 1.694 20 0 CDADMM CCOc1ccc(CNc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001590835929 1173525723 /nfs/dbraw/zinc/52/57/23/1173525723.db2.gz KUZRWHBMCBTOSS-UHFFFAOYSA-N -1 1 296.334 1.694 20 0 CDADMM CCc1ccc(Cn2cc(C)cc(-c3nn[n-]n3)c2=O)nc1 ZINC001590890151 1173536630 /nfs/dbraw/zinc/53/66/30/1173536630.db2.gz QTZDCRUCHVTCBB-UHFFFAOYSA-N -1 1 296.334 1.343 20 0 CDADMM CN(C(=O)c1ccnc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001590995671 1173560060 /nfs/dbraw/zinc/56/00/60/1173560060.db2.gz KRYKCKAGWWEUQT-UHFFFAOYSA-N -1 1 260.301 1.132 20 0 CDADMM CN(C(=O)c1ccnc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001590995671 1173560065 /nfs/dbraw/zinc/56/00/65/1173560065.db2.gz KRYKCKAGWWEUQT-UHFFFAOYSA-N -1 1 260.301 1.132 20 0 CDADMM CO[C@@H](CSCc1nc(-c2nnn[n-]2)cs1)C1CC1 ZINC001591334696 1173614768 /nfs/dbraw/zinc/61/47/68/1173614768.db2.gz UYNRWXLFHCHUKN-VIFPVBQESA-N -1 1 297.409 1.981 20 0 CDADMM CO[C@@H](CSCc1nc(-c2nn[n-]n2)cs1)C1CC1 ZINC001591334696 1173614769 /nfs/dbraw/zinc/61/47/69/1173614769.db2.gz UYNRWXLFHCHUKN-VIFPVBQESA-N -1 1 297.409 1.981 20 0 CDADMM COC1(CNc2ccc(C)c(-c3nnn[n-]3)n2)CCC1 ZINC001591343175 1173620041 /nfs/dbraw/zinc/62/00/41/1173620041.db2.gz PEVGDLKFYMASIZ-UHFFFAOYSA-N -1 1 274.328 1.551 20 0 CDADMM COC1(CNc2ccc(C)c(-c3nn[n-]n3)n2)CCC1 ZINC001591343175 1173620042 /nfs/dbraw/zinc/62/00/42/1173620042.db2.gz PEVGDLKFYMASIZ-UHFFFAOYSA-N -1 1 274.328 1.551 20 0 CDADMM C[C@@H](C(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1ccccc1 ZINC001591719365 1173692478 /nfs/dbraw/zinc/69/24/78/1173692478.db2.gz DPHLHMVRYNECSV-MRVPVSSYSA-N -1 1 283.295 1.332 20 0 CDADMM C[C@@H]1CC=CC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591732832 1173695402 /nfs/dbraw/zinc/69/54/02/1173695402.db2.gz YJQAHZWEDREEDC-RKDXNWHRSA-N -1 1 273.296 1.544 20 0 CDADMM C[C@@H]1CC=CC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591732832 1173695406 /nfs/dbraw/zinc/69/54/06/1173695406.db2.gz YJQAHZWEDREEDC-RKDXNWHRSA-N -1 1 273.296 1.544 20 0 CDADMM Cc1noc(C)c1CN(C)c1cc(C)cc(-c2nnn[n-]2)n1 ZINC001591884222 1173740132 /nfs/dbraw/zinc/74/01/32/1173740132.db2.gz DFSZMMHKHSKDML-UHFFFAOYSA-N -1 1 299.338 1.811 20 0 CDADMM Cc1noc(C)c1CN(C)c1cc(C)cc(-c2nn[n-]n2)n1 ZINC001591884222 1173740136 /nfs/dbraw/zinc/74/01/36/1173740136.db2.gz DFSZMMHKHSKDML-UHFFFAOYSA-N -1 1 299.338 1.811 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCC2CCC(F)CC2)n1 ZINC001591895078 1173741246 /nfs/dbraw/zinc/74/12/46/1173741246.db2.gz PTMBTAFWUVDLDP-UHFFFAOYSA-N -1 1 291.334 1.905 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCC2CCC(F)CC2)n1 ZINC001591895078 1173741251 /nfs/dbraw/zinc/74/12/51/1173741251.db2.gz PTMBTAFWUVDLDP-UHFFFAOYSA-N -1 1 291.334 1.905 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CS[C@@H](C)C2)n1 ZINC001591894135 1173742270 /nfs/dbraw/zinc/74/22/70/1173742270.db2.gz ZPIVXYJBFQWNDU-YUMQZZPRSA-N -1 1 277.357 1.271 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CS[C@@H](C)C2)n1 ZINC001591894135 1173742277 /nfs/dbraw/zinc/74/22/77/1173742277.db2.gz ZPIVXYJBFQWNDU-YUMQZZPRSA-N -1 1 277.357 1.271 20 0 CDADMM Cc1cc(NC(=O)c2ccsc2-c2nnn[n-]2)n(C)n1 ZINC001592031448 1173777006 /nfs/dbraw/zinc/77/70/06/1173777006.db2.gz MUEWSNHYLFPBAR-UHFFFAOYSA-N -1 1 289.324 1.222 20 0 CDADMM Cc1cc(NC(=O)c2ccsc2-c2nn[n-]n2)n(C)n1 ZINC001592031448 1173777012 /nfs/dbraw/zinc/77/70/12/1173777012.db2.gz MUEWSNHYLFPBAR-UHFFFAOYSA-N -1 1 289.324 1.222 20 0 CDADMM Cc1cc(N[C@H](C)c2ccn(C)n2)nc(-c2nnn[n-]2)c1 ZINC001592034736 1173778839 /nfs/dbraw/zinc/77/88/39/1173778839.db2.gz LHIUEALFDROLPU-SECBINFHSA-N -1 1 284.327 1.477 20 0 CDADMM Cc1cc(N[C@H](C)c2ccn(C)n2)nc(-c2nn[n-]n2)c1 ZINC001592034736 1173778841 /nfs/dbraw/zinc/77/88/41/1173778841.db2.gz LHIUEALFDROLPU-SECBINFHSA-N -1 1 284.327 1.477 20 0 CDADMM Cc1[nH]nc(NC(=O)c2ccc(C)c(O)c2)c1-c1nn[n-]n1 ZINC001592129708 1173809974 /nfs/dbraw/zinc/80/99/74/1173809974.db2.gz WMORHQHVUXCWQV-UHFFFAOYSA-N -1 1 299.294 1.165 20 0 CDADMM Cc1ccc(N2CCO[C@H](C(C)C)C2)c(-c2nnn[n-]2)n1 ZINC001592174786 1173822567 /nfs/dbraw/zinc/82/25/67/1173822567.db2.gz CLOMYSHYCZMAHG-LBPRGKRZSA-N -1 1 288.355 1.431 20 0 CDADMM Cc1ccc(N2CCO[C@H](C(C)C)C2)c(-c2nn[n-]n2)n1 ZINC001592174786 1173822572 /nfs/dbraw/zinc/82/25/72/1173822572.db2.gz CLOMYSHYCZMAHG-LBPRGKRZSA-N -1 1 288.355 1.431 20 0 CDADMM Cc1ccc(N[C@H]2CSC[C@@H]2C)nc1-c1nnn[n-]1 ZINC001592184354 1173827540 /nfs/dbraw/zinc/82/75/40/1173827540.db2.gz SGVDSQHKECWRMD-IUCAKERBSA-N -1 1 276.369 1.734 20 0 CDADMM Cc1ccc(NC[C@@H]2CCCC[C@H]2O)nc1-c1nnn[n-]1 ZINC001592186219 1173830297 /nfs/dbraw/zinc/83/02/97/1173830297.db2.gz UMMVAWZYAMNLOM-WDEREUQCSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(NC[C@@H]2CCCC[C@H]2O)nc1-c1nn[n-]n1 ZINC001592186219 1173830302 /nfs/dbraw/zinc/83/03/02/1173830302.db2.gz UMMVAWZYAMNLOM-WDEREUQCSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc2c(c1)CN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001592204216 1173833025 /nfs/dbraw/zinc/83/30/25/1173833025.db2.gz UWJPOCMVIARNSU-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM Cc1ccc2c(c1)CN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001592204216 1173833029 /nfs/dbraw/zinc/83/30/29/1173833029.db2.gz UWJPOCMVIARNSU-UHFFFAOYSA-N -1 1 293.334 1.528 20 0 CDADMM Cc1cccc(Nc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001592236674 1173835840 /nfs/dbraw/zinc/83/58/40/1173835840.db2.gz MAAXIPXOGJEQCO-UHFFFAOYSA-N -1 1 253.269 1.131 20 0 CDADMM Cc1ccccc1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001592259213 1173839086 /nfs/dbraw/zinc/83/90/86/1173839086.db2.gz TYFKCJQMVSHSCB-UHFFFAOYSA-N -1 1 280.291 1.822 20 0 CDADMM Cc1ccccc1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001592259213 1173839091 /nfs/dbraw/zinc/83/90/91/1173839091.db2.gz TYFKCJQMVSHSCB-UHFFFAOYSA-N -1 1 280.291 1.822 20 0 CDADMM Cc1ccn(Cc2ccccc2CF)c(=O)c1-c1nn[n-]n1 ZINC001592266149 1173839582 /nfs/dbraw/zinc/83/95/82/1173839582.db2.gz XTTDQCXJRODDMU-UHFFFAOYSA-N -1 1 299.309 1.855 20 0 CDADMM Cc1[nH]nc(NC(=O)c2cc(C)c(C)cn2)c1-c1nn[n-]n1 ZINC001592291563 1173846068 /nfs/dbraw/zinc/84/60/68/1173846068.db2.gz RXHDCEBVBIHOET-UHFFFAOYSA-N -1 1 298.310 1.162 20 0 CDADMM Cc1cnc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)c(C)c1 ZINC001592291540 1173847203 /nfs/dbraw/zinc/84/72/03/1173847203.db2.gz PXNMKMBPNMPWFO-UHFFFAOYSA-N -1 1 295.306 1.526 20 0 CDADMM Cc1cnc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)c(C)c1 ZINC001592291540 1173847206 /nfs/dbraw/zinc/84/72/06/1173847206.db2.gz PXNMKMBPNMPWFO-UHFFFAOYSA-N -1 1 295.306 1.526 20 0 CDADMM Cc1ccc(NCCc2cnc(C)cn2)c(-c2nnn[n-]2)n1 ZINC001592292831 1173848468 /nfs/dbraw/zinc/84/84/68/1173848468.db2.gz QTVJGZFRIZRMOV-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1ccc(NCCc2cnc(C)cn2)c(-c2nn[n-]n2)n1 ZINC001592292831 1173848474 /nfs/dbraw/zinc/84/84/74/1173848474.db2.gz QTVJGZFRIZRMOV-UHFFFAOYSA-N -1 1 296.338 1.323 20 0 CDADMM Cc1cnc(Cn2ccn3ncc(-c4nn[n-]n4)c23)s1 ZINC001592295456 1173849133 /nfs/dbraw/zinc/84/91/33/1173849133.db2.gz FUBSLQVEFJEFKS-UHFFFAOYSA-N -1 1 286.324 1.129 20 0 CDADMM Cc1coc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC001592306272 1173851419 /nfs/dbraw/zinc/85/14/19/1173851419.db2.gz ZIAMHFWOLZWBFA-UHFFFAOYSA-N -1 1 285.263 1.726 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC(C)(C)[C@@H]2C2CC2)n1 ZINC001592337539 1173860034 /nfs/dbraw/zinc/86/00/34/1173860034.db2.gz JRSSCTKCPWKXOO-LBPRGKRZSA-N -1 1 285.355 1.590 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC(C)(C)[C@@H]2C2CC2)n1 ZINC001592337539 1173860041 /nfs/dbraw/zinc/86/00/41/1173860041.db2.gz JRSSCTKCPWKXOO-LBPRGKRZSA-N -1 1 285.355 1.590 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCSC(C)(C)C2)n1 ZINC001592339729 1173862525 /nfs/dbraw/zinc/86/25/25/1173862525.db2.gz CCAQXEFGSXQKGT-UHFFFAOYSA-N -1 1 291.384 1.297 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCSC(C)(C)C2)n1 ZINC001592339729 1173862529 /nfs/dbraw/zinc/86/25/29/1173862529.db2.gz CCAQXEFGSXQKGT-UHFFFAOYSA-N -1 1 291.384 1.297 20 0 CDADMM Cc1nc(N[C@@H]2CCS[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001592383278 1173877501 /nfs/dbraw/zinc/87/75/01/1173877501.db2.gz VJVCMCGEMVSJDI-VXNVDRBHSA-N -1 1 291.384 1.661 20 0 CDADMM Cc1nc(N[C@@H]2CCS[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001592383278 1173877507 /nfs/dbraw/zinc/87/75/07/1173877507.db2.gz VJVCMCGEMVSJDI-VXNVDRBHSA-N -1 1 291.384 1.661 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)[C@@H]1CCSC1 ZINC001592496125 1173905187 /nfs/dbraw/zinc/90/51/87/1173905187.db2.gz WOADTTUWUKOEOY-MRVPVSSYSA-N -1 1 293.352 1.346 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)[C@@H]1CCSC1 ZINC001592496125 1173905194 /nfs/dbraw/zinc/90/51/94/1173905194.db2.gz WOADTTUWUKOEOY-MRVPVSSYSA-N -1 1 293.352 1.346 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@@H](C(C)C)C1 ZINC001592496888 1173906091 /nfs/dbraw/zinc/90/60/91/1173906091.db2.gz NVZJUOWRSAHUSK-SNVBAGLBSA-N -1 1 289.339 1.886 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@@H](C(C)C)C1 ZINC001592496888 1173906103 /nfs/dbraw/zinc/90/61/03/1173906103.db2.gz NVZJUOWRSAHUSK-SNVBAGLBSA-N -1 1 289.339 1.886 20 0 CDADMM FC(F)(F)c1cc(-c2nnn[n-]2)nc(N2CCCC2)c1 ZINC001592617970 1173931011 /nfs/dbraw/zinc/93/10/11/1173931011.db2.gz DYVLLSFDWSRMCW-UHFFFAOYSA-N -1 1 284.245 1.881 20 0 CDADMM FC1(F)CC[C@H](Nc2ncncc2-c2nn[n-]n2)C1 ZINC001592627649 1173935512 /nfs/dbraw/zinc/93/55/12/1173935512.db2.gz AEZAGVBRGLVUDI-LURJTMIESA-N -1 1 267.243 1.256 20 0 CDADMM FC1(F)CCCN(Cc2cccc(-c3nnn[n-]3)n2)C1 ZINC001592628969 1173937413 /nfs/dbraw/zinc/93/74/13/1173937413.db2.gz YDNNAQOULDDOKO-UHFFFAOYSA-N -1 1 280.282 1.493 20 0 CDADMM FC1(F)CCCN(Cc2cccc(-c3nn[n-]n3)n2)C1 ZINC001592628969 1173937417 /nfs/dbraw/zinc/93/74/17/1173937417.db2.gz YDNNAQOULDDOKO-UHFFFAOYSA-N -1 1 280.282 1.493 20 0 CDADMM Fc1ccc(OCCCn2cc(-c3nn[n-]n3)nn2)cc1 ZINC001592652042 1173953066 /nfs/dbraw/zinc/95/30/66/1173953066.db2.gz MMOIDMSXRZKNED-UHFFFAOYSA-N -1 1 289.274 1.066 20 0 CDADMM Fc1ccc2c(c1)CC[C@@H]2Nc1ncncc1-c1nn[n-]n1 ZINC001592653257 1173954763 /nfs/dbraw/zinc/95/47/63/1173954763.db2.gz RVMRYQCLMZGHFC-LBPRGKRZSA-N -1 1 297.297 1.895 20 0 CDADMM O=C(CC[C@@H]1CCOC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592833698 1173994466 /nfs/dbraw/zinc/99/44/66/1173994466.db2.gz QSIYAFVIEKMCOR-SECBINFHSA-N -1 1 288.311 1.017 20 0 CDADMM O=C(CC[C@@H]1CCOC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592833698 1173994471 /nfs/dbraw/zinc/99/44/71/1173994471.db2.gz QSIYAFVIEKMCOR-SECBINFHSA-N -1 1 288.311 1.017 20 0 CDADMM O=C(NC[C@]12C[C@H]1CCC2)c1ccsc1-c1nnn[n-]1 ZINC001593114281 1174023230 /nfs/dbraw/zinc/02/32/30/1174023230.db2.gz FBEDNQGYKALAPY-OQPBUACISA-N -1 1 289.364 1.848 20 0 CDADMM O=C(NC[C@]12C[C@H]1CCC2)c1ccsc1-c1nn[n-]n1 ZINC001593114281 1174023235 /nfs/dbraw/zinc/02/32/35/1174023235.db2.gz FBEDNQGYKALAPY-OQPBUACISA-N -1 1 289.364 1.848 20 0 CDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CC12CCCC2 ZINC001593147111 1174026564 /nfs/dbraw/zinc/02/65/64/1174026564.db2.gz BCWMBLLMOQWCNZ-NSHDSACASA-N -1 1 298.350 1.458 20 0 CDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CC12CCCC2 ZINC001593147111 1174026571 /nfs/dbraw/zinc/02/65/71/1174026571.db2.gz BCWMBLLMOQWCNZ-NSHDSACASA-N -1 1 298.350 1.458 20 0 CDADMM O=C(Nc1cccc2c1OCC2)c1ccc(-c2nn[n-]n2)o1 ZINC001593248621 1174039192 /nfs/dbraw/zinc/03/91/92/1174039192.db2.gz AZWUUYBXCNRJFN-UHFFFAOYSA-N -1 1 297.274 1.647 20 0 CDADMM O=C(Nc1cccc(F)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593249025 1174039721 /nfs/dbraw/zinc/03/97/21/1174039721.db2.gz FBHIWUUTRSEWOO-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(Nc1cccc(F)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593249025 1174039729 /nfs/dbraw/zinc/03/97/29/1174039729.db2.gz FBHIWUUTRSEWOO-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)C(F)=C1CCC1 ZINC001593268820 1174045846 /nfs/dbraw/zinc/04/58/46/1174045846.db2.gz ZJEDCMYLXVOWBW-UHFFFAOYSA-N -1 1 280.288 1.669 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)C(F)=C1CCC1 ZINC001593268820 1174045852 /nfs/dbraw/zinc/04/58/52/1174045852.db2.gz ZJEDCMYLXVOWBW-UHFFFAOYSA-N -1 1 280.288 1.669 20 0 CDADMM O=C(OC1CC2(CC2)C1)c1cccc(-c2nnn[n-]2)n1 ZINC001593282223 1174047767 /nfs/dbraw/zinc/04/77/67/1174047767.db2.gz RCDKABFQCFEOAK-UHFFFAOYSA-N -1 1 271.280 1.361 20 0 CDADMM O=C(OC1CC2(CC2)C1)c1cccc(-c2nn[n-]n2)n1 ZINC001593282223 1174047775 /nfs/dbraw/zinc/04/77/75/1174047775.db2.gz RCDKABFQCFEOAK-UHFFFAOYSA-N -1 1 271.280 1.361 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)C1(CCO)CC1 ZINC001593298451 1174056955 /nfs/dbraw/zinc/05/69/55/1174056955.db2.gz CMMWMMFIIKQZRP-UHFFFAOYSA-N -1 1 294.336 1.134 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCCCCC1 ZINC001593348821 1174067579 /nfs/dbraw/zinc/06/75/79/1174067579.db2.gz QQMMIYFKWOVJIP-UHFFFAOYSA-N -1 1 272.312 1.278 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCCCCC1 ZINC001593348821 1174067585 /nfs/dbraw/zinc/06/75/85/1174067585.db2.gz QQMMIYFKWOVJIP-UHFFFAOYSA-N -1 1 272.312 1.278 20 0 CDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC(CC2CC2)C1 ZINC001593347620 1174069397 /nfs/dbraw/zinc/06/93/97/1174069397.db2.gz BVTKXAZTLKBXHL-UHFFFAOYSA-N -1 1 284.323 1.134 20 0 CDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC(CC2CC2)C1 ZINC001593347620 1174069405 /nfs/dbraw/zinc/06/94/05/1174069405.db2.gz BVTKXAZTLKBXHL-UHFFFAOYSA-N -1 1 284.323 1.134 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1cc(F)ccc1F ZINC001593496475 1174086086 /nfs/dbraw/zinc/08/60/86/1174086086.db2.gz LIFWFDQUWSCUOH-UHFFFAOYSA-N -1 1 289.245 1.355 20 0 CDADMM O=c1c(-c2nn[n-]n2)cc2c(n1CCC(F)(F)F)CCC2 ZINC001593490090 1174087796 /nfs/dbraw/zinc/08/77/96/1174087796.db2.gz AZFJDGYMZZLVKH-UHFFFAOYSA-N -1 1 299.256 1.470 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1N[C@]12C[C@H]1CCCC2 ZINC001593551461 1174124209 /nfs/dbraw/zinc/12/42/09/1174124209.db2.gz LHVSBDVYEPRRFQ-PRHODGIISA-N -1 1 257.301 1.401 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1N[C@]12C[C@H]1CCCC2 ZINC001593551461 1174124213 /nfs/dbraw/zinc/12/42/13/1174124213.db2.gz LHVSBDVYEPRRFQ-PRHODGIISA-N -1 1 257.301 1.401 20 0 CDADMM c1cc(N[C@@H]2C[C@H]3CCC[C@@H]32)cc(-c2nnn[n-]2)n1 ZINC001593558159 1174134000 /nfs/dbraw/zinc/13/40/00/1174134000.db2.gz KPFAUBZAJAWFKM-DVVUODLYSA-N -1 1 256.313 1.284 20 0 CDADMM c1cc(N[C@@H]2C[C@H]3CCC[C@@H]32)cc(-c2nn[n-]n2)n1 ZINC001593558159 1174134002 /nfs/dbraw/zinc/13/40/02/1174134002.db2.gz KPFAUBZAJAWFKM-DVVUODLYSA-N -1 1 256.313 1.284 20 0 CDADMM c1ccc2c(c1)CO[C@H]2CNc1cncc(-c2nnn[n-]2)n1 ZINC001593579098 1174144361 /nfs/dbraw/zinc/14/43/61/1174144361.db2.gz BHGAUTWAZHAENG-LBPRGKRZSA-N -1 1 295.306 1.340 20 0 CDADMM c1ccc2c(c1)CO[C@H]2CNc1cncc(-c2nn[n-]n2)n1 ZINC001593579098 1174144376 /nfs/dbraw/zinc/14/43/76/1174144376.db2.gz BHGAUTWAZHAENG-LBPRGKRZSA-N -1 1 295.306 1.340 20 0 CDADMM c1nn2cc(CNc3ccccc3)cnc2c1-c1nnn[n-]1 ZINC001593576505 1174146373 /nfs/dbraw/zinc/14/63/73/1174146373.db2.gz BBPLZADCCFYCAA-UHFFFAOYSA-N -1 1 292.306 1.522 20 0 CDADMM c1nn2cc(CNc3ccccc3)cnc2c1-c1nn[n-]n1 ZINC001593576505 1174146378 /nfs/dbraw/zinc/14/63/78/1174146378.db2.gz BBPLZADCCFYCAA-UHFFFAOYSA-N -1 1 292.306 1.522 20 0 CDADMM c1ncc(N2CCCC[C@@H]2C2CCC2)nc1-c1nnn[n-]1 ZINC001593593041 1174159926 /nfs/dbraw/zinc/15/99/26/1174159926.db2.gz JDPNPPHCHHBAPG-GFCCVEGCSA-N -1 1 285.355 1.816 20 0 CDADMM c1ncc(N2CCCC[C@@H]2C2CCC2)nc1-c1nn[n-]n1 ZINC001593593041 1174159932 /nfs/dbraw/zinc/15/99/32/1174159932.db2.gz JDPNPPHCHHBAPG-GFCCVEGCSA-N -1 1 285.355 1.816 20 0 CDADMM c1sc(-c2nn[n-]n2)cc1-c1nc([C@H]2CCCO2)no1 ZINC001593594009 1174161994 /nfs/dbraw/zinc/16/19/94/1174161994.db2.gz LSVPYWQSHKUBNQ-SSDOTTSWSA-N -1 1 290.308 1.830 20 0 CDADMM O=C(NCc1cccc(CO)c1)c1ccc([O-])cn1 ZINC001595906333 1174222245 /nfs/dbraw/zinc/22/22/45/1174222245.db2.gz OEZYTIFKQYJTRZ-UHFFFAOYSA-N -1 1 258.277 1.210 20 0 CDADMM Cc1cc(C(=O)[O-])nc(N2C[C@@H](C)N(C)C[C@@H]2C)n1 ZINC001600126890 1174368507 /nfs/dbraw/zinc/36/85/07/1174368507.db2.gz IBQUUAODUQFMGB-ZJUUUORDSA-N -1 1 264.329 1.012 20 0 CDADMM Cc1cc(CN[C@H]2c3ccccc3C[C@@H]2O)[nH]c1C(=O)[O-] ZINC001600206871 1174408220 /nfs/dbraw/zinc/40/82/20/1174408220.db2.gz RTXDSVCOODIFDP-ZFWWWQNUSA-N -1 1 286.331 1.769 20 0 CDADMM Cc1cccc([C@H](CC(=O)[O-])NC(=O)c2cnn[nH]2)c1 ZINC001600516150 1174494251 /nfs/dbraw/zinc/49/42/51/1174494251.db2.gz LDQIHPRDTWPPIL-JTQLQIEISA-N -1 1 274.280 1.059 20 0 CDADMM Cc1oc(C(=O)[O-])cc1CNC1CN(c2ccncn2)C1 ZINC001600832816 1174635334 /nfs/dbraw/zinc/63/53/34/1174635334.db2.gz WCSXBXZLJFWHJR-UHFFFAOYSA-N -1 1 288.307 1.055 20 0 CDADMM Cc1oc(CNC[C@@H](O)C2(O)CCCC2)cc1C(=O)[O-] ZINC001600852528 1174644016 /nfs/dbraw/zinc/64/40/16/1174644016.db2.gz SRJLYAIESHSZKW-GFCCVEGCSA-N -1 1 283.324 1.042 20 0 CDADMM Cn1cc(CN2CC3(C2)CCCOC3)cc1C(=O)[O-] ZINC001600951149 1174675601 /nfs/dbraw/zinc/67/56/01/1174675601.db2.gz AUQYCNZETDSOHW-UHFFFAOYSA-N -1 1 264.325 1.336 20 0 CDADMM NC1(c2noc([C@H]3CC[C@H]3C(=O)[O-])n2)CCCC1 ZINC001601178732 1174775790 /nfs/dbraw/zinc/77/57/90/1174775790.db2.gz XBHJQAGGNWAJHK-JGVFFNPUSA-N -1 1 251.286 1.376 20 0 CDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1ccoc1C1CC1 ZINC001601565127 1174899605 /nfs/dbraw/zinc/89/96/05/1174899605.db2.gz PTWWWHWUHRFHBI-NSHDSACASA-N -1 1 289.291 1.306 20 0 CDADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC001601568494 1174901095 /nfs/dbraw/zinc/90/10/95/1174901095.db2.gz VIIMWGCOWIDLDK-FRRDWIJNSA-N -1 1 291.351 1.348 20 0 CDADMM O=C([O-])c1cc(C(=O)Nc2ccn(-c3ccncc3)n2)no1 ZINC001601624717 1174915005 /nfs/dbraw/zinc/91/50/05/1174915005.db2.gz KHWPUMDGONMGCX-UHFFFAOYSA-N -1 1 299.246 1.206 20 0 CDADMM O=C([O-])C1(C[NH2+]Cc2c(F)ccc([O-])c2F)CC1 ZINC001601708218 1174960530 /nfs/dbraw/zinc/96/05/30/1174960530.db2.gz ZLQCAFKMJBCHKO-UHFFFAOYSA-N -1 1 257.236 1.625 20 0 CDADMM O=C([O-])C12CC(c3nc([C@H]4CN5CCC4CC5)no3)(C1)C2 ZINC001601731042 1174973307 /nfs/dbraw/zinc/97/33/07/1174973307.db2.gz WTMAVFXQYLKABF-ISAOAKOHSA-N -1 1 289.335 1.385 20 0 CDADMM O=C([O-])C[C@@H](CNC(=O)[C@H]1CCN1C1CCCC1)C1CC1 ZINC001601892027 1175055508 /nfs/dbraw/zinc/05/55/08/1175055508.db2.gz GXTLBPASYKXVEU-GXTWGEPZSA-N -1 1 294.395 1.620 20 0 CDADMM O=C([O-])C[C@@H](NCc1nc(C2CCC2)no1)C1CC1 ZINC001601905795 1175059096 /nfs/dbraw/zinc/05/90/96/1175059096.db2.gz FNZMJSYIHLRIFR-SNVBAGLBSA-N -1 1 265.313 1.680 20 0 CDADMM O=C([O-])CC[N@@H+](CC(=O)[O-])Cc1ccc2c(c1)CCCO2 ZINC001602004386 1175108267 /nfs/dbraw/zinc/10/82/67/1175108267.db2.gz BDHOYNAYJHSMPK-UHFFFAOYSA-N -1 1 293.319 1.373 20 0 CDADMM O=C([O-])c1[nH]c2ccccc2c1CNCc1cnccn1 ZINC001602225274 1175175166 /nfs/dbraw/zinc/17/51/66/1175175166.db2.gz GKPMBDUMJKLETC-UHFFFAOYSA-N -1 1 282.303 1.946 20 0 CDADMM O=C([O-])c1ccc(Cl)c(CN2[C@H](CO)CC[C@H]2CO)c1 ZINC001602357956 1175223167 /nfs/dbraw/zinc/22/31/67/1175223167.db2.gz NAXZSFFVQKEACE-RYUDHWBXSA-N -1 1 299.754 1.356 20 0 CDADMM O=C([O-])c1cncc(CN[C@@H](CO)c2ccc(F)cc2)c1 ZINC001602539000 1175280002 /nfs/dbraw/zinc/28/00/02/1175280002.db2.gz JBFPFVRMQPVFMN-AWEZNQCLSA-N -1 1 290.294 1.742 20 0 CDADMM O=C([O-])c1nccc(NC(=O)c2cccc(F)c2O)n1 ZINC001602573824 1175304081 /nfs/dbraw/zinc/30/40/81/1175304081.db2.gz FNMLROZAXPRMSM-UHFFFAOYSA-N -1 1 277.211 1.272 20 0 CDADMM CC(=O)c1cccc(CN2C[C@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001603118672 1175495112 /nfs/dbraw/zinc/49/51/12/1175495112.db2.gz URMSMXOMEQOQFZ-UONOGXRCSA-N -1 1 277.320 1.157 20 0 CDADMM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCC1 ZINC001603165037 1175507984 /nfs/dbraw/zinc/50/79/84/1175507984.db2.gz VJVFQMSIAJNGPY-UHFFFAOYSA-N -1 1 286.339 1.570 20 0 CDADMM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CCC1 ZINC001603165037 1175507989 /nfs/dbraw/zinc/50/79/89/1175507989.db2.gz VJVFQMSIAJNGPY-UHFFFAOYSA-N -1 1 286.339 1.570 20 0 CDADMM CC(C)[C@H]1C[C@H]1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001603243683 1175523954 /nfs/dbraw/zinc/52/39/54/1175523954.db2.gz HCFGZUKQYISZKT-HTQZYQBOSA-N -1 1 292.368 1.232 20 0 CDADMM CC(C)[C@H]1C[C@H]1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001603243683 1175523963 /nfs/dbraw/zinc/52/39/63/1175523963.db2.gz HCFGZUKQYISZKT-HTQZYQBOSA-N -1 1 292.368 1.232 20 0 CDADMM CC(C)CCOCCNc1cc(-c2nnn[n-]2)ncn1 ZINC001603283082 1175530709 /nfs/dbraw/zinc/53/07/09/1175530709.db2.gz 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FGWPAZJWQVFUBU-QMMMGPOBSA-N -1 1 294.311 1.681 20 0 CDADMM CCCC(=O)[C@H](CCC)Oc1nc2c([n-]1)[nH]c(=O)[nH]c2=O ZINC001227429761 942174816 /nfs/dbraw/zinc/17/48/16/942174816.db2.gz FGWPAZJWQVFUBU-QMMMGPOBSA-N -1 1 294.311 1.681 20 0 CDADMM C[C@H](Oc1nc2c([n-]1)[nH]c(=O)[nH]c2=O)c1ccccc1 ZINC001227434417 942177289 /nfs/dbraw/zinc/17/72/89/942177289.db2.gz LXDSUQZLSSCMBO-ZETCQYMHSA-N -1 1 272.264 1.904 20 0 CDADMM CC1=C[C@H](Oc2[n-]c(=O)nc3c2CO[C@H]3C)CC(=O)O1 ZINC001227712896 942209135 /nfs/dbraw/zinc/20/91/35/942209135.db2.gz MNTCEYUQRCDFOO-YUMQZZPRSA-N -1 1 278.264 1.372 20 0 CDADMM COC(=O)c1n[n-]c(O[C@@H]2CC(F)(F)C2(F)F)n1 ZINC001228311675 942295213 /nfs/dbraw/zinc/29/52/13/942295213.db2.gz CMYPAOISHNZNJB-GSVOUGTGSA-N -1 1 269.154 1.013 20 0 CDADMM COC(=O)c1nc(O[C@@H]2CC(F)(F)C2(F)F)n[n-]1 ZINC001228311675 942295216 /nfs/dbraw/zinc/29/52/16/942295216.db2.gz CMYPAOISHNZNJB-GSVOUGTGSA-N -1 1 269.154 1.013 20 0 CDADMM CCOC(=O)[C@H]1CC[C@H](Oc2cnnc(=S)[n-]2)CC1 ZINC001228636733 942345422 /nfs/dbraw/zinc/34/54/22/942345422.db2.gz QQKMKZPKGFMTIN-KYZUINATSA-N -1 1 283.353 1.661 20 0 CDADMM C=CC(=O)OC[C@@H](C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229135630 942422841 /nfs/dbraw/zinc/42/28/41/942422841.db2.gz OSSANRSITFRYLV-SECBINFHSA-N -1 1 290.271 1.995 20 0 CDADMM COc1cc2ccc(=O)oc2c(O[C@@H](C)CON)c1[O-] ZINC001229214696 942434571 /nfs/dbraw/zinc/43/45/71/942434571.db2.gz GKIQTEKEWAEUHM-ZETCQYMHSA-N -1 1 281.264 1.165 20 0 CDADMM CCC(=O)c1ccc([O-])cc1OC[C@@H]1COCCO1 ZINC001229474601 942479154 /nfs/dbraw/zinc/47/91/54/942479154.db2.gz IIJDZVQHYBTUBL-NSHDSACASA-N -1 1 266.293 1.779 20 0 CDADMM COC(=O)c1c[n-]c(=O)nc1O[C@H]1CCCC[C@@H]1OC ZINC001229869970 942544471 /nfs/dbraw/zinc/54/44/71/942544471.db2.gz DEOUSVJSNFAKRI-UWVGGRQHSA-N -1 1 282.296 1.305 20 0 CDADMM CCCC[C@@H](C)Oc1nc(=O)[n-]cc1C(=O)OC ZINC001229872896 942546304 /nfs/dbraw/zinc/54/63/04/942546304.db2.gz OEKKZNHIIBFVFK-MRVPVSSYSA-N -1 1 254.286 1.926 20 0 CDADMM COC(=O)c1c[n-]c(=O)nc1OC1CCCCC1 ZINC001229872916 942547019 /nfs/dbraw/zinc/54/70/19/942547019.db2.gz ORQNVTMXJDSDQO-UHFFFAOYSA-N -1 1 252.270 1.680 20 0 CDADMM COc1c(O[C@H](C)CC(OC)OC)nc(C)[n-]c1=O ZINC001230021290 942571668 /nfs/dbraw/zinc/57/16/68/942571668.db2.gz LWRNZDNINBDALF-SSDOTTSWSA-N -1 1 272.301 1.276 20 0 CDADMM COc1c(=O)[n-]c(C)nc1O[C@@H]1COc2cnccc21 ZINC001230026043 942572978 /nfs/dbraw/zinc/57/29/78/942572978.db2.gz NTZJDZCTMSWRLT-SNVBAGLBSA-N -1 1 275.264 1.407 20 0 CDADMM C[C@@H]1CN(Cc2ccc(Cl)c([O-])c2)CC(=O)N1 ZINC001231732770 942987300 /nfs/dbraw/zinc/98/73/00/942987300.db2.gz FMAHIIHPVCLCNL-MRVPVSSYSA-N -1 1 254.717 1.366 20 0 CDADMM CCOC(=O)[C@H]1CN(Cc2ccc(Cl)c([O-])c2)CCO1 ZINC001231733900 942991944 /nfs/dbraw/zinc/99/19/44/942991944.db2.gz LOTCHOIPINHOOY-CYBMUJFWSA-N -1 1 299.754 1.810 20 0 CDADMM O=C([O-])COc1ccccc1CN1CC[N@H+]2CC[C@H]2C1 ZINC001231794693 943020760 /nfs/dbraw/zinc/02/07/60/943020760.db2.gz IQCRDGOORYOXCP-ZDUSSCGKSA-N -1 1 276.336 1.040 20 0 CDADMM [O-]c1cccc(CN2CC[C@@H](F)[C@@H](O)C2)c1Cl ZINC001232784771 943391865 /nfs/dbraw/zinc/39/18/65/943391865.db2.gz TYOBACGGTIDYFX-KOLCDFICSA-N -1 1 259.708 1.950 20 0 CDADMM CC(=O)NC1CCN(Cc2ccc(F)c([O-])c2F)CC1 ZINC001232931168 943437848 /nfs/dbraw/zinc/43/78/48/943437848.db2.gz KNYBFEOGHZYKBT-UHFFFAOYSA-N -1 1 284.306 1.771 20 0 CDADMM O=C1CN(Cc2cc([O-])c(F)c(F)c2)C[C@@H]2CCCN12 ZINC001232973242 943451415 /nfs/dbraw/zinc/45/14/15/943451415.db2.gz QLTJFMOPQMQVPL-JTQLQIEISA-N -1 1 282.290 1.477 20 0 CDADMM CS(=O)(=O)[C@H]1CCN(Cc2cc([O-])c(F)c(F)c2)C1 ZINC001232972893 943452023 /nfs/dbraw/zinc/45/20/23/943452023.db2.gz FHEJJKSLQQUPLQ-VIFPVBQESA-N -1 1 291.319 1.289 20 0 CDADMM CCC[C@H](CC(=O)OC)Oc1c(=O)[n-]cnc1C(=O)OC ZINC001233757466 943649693 /nfs/dbraw/zinc/64/96/93/943649693.db2.gz CYKSVXFRUPPFHP-MRVPVSSYSA-N -1 1 298.295 1.079 20 0 CDADMM COC(=O)c1nc[n-]c(=O)c1O[C@@H](C)c1cccnc1 ZINC001233756484 943649722 /nfs/dbraw/zinc/64/97/22/943649722.db2.gz NPIBXBLEBDYJLC-QMMMGPOBSA-N -1 1 275.264 1.504 20 0 CDADMM COC(=O)c1nc[n-]c(=O)c1OCCOC1CCCC1 ZINC001233758924 943650657 /nfs/dbraw/zinc/65/06/57/943650657.db2.gz MTLNTBBYBKASJO-UHFFFAOYSA-N -1 1 282.296 1.307 20 0 CDADMM CCCn1c(C(=O)OCc2nn[n-]n2)cc2ccccc21 ZINC001525995506 971015059 /nfs/dbraw/zinc/01/50/59/971015059.db2.gz IFIKNNYOHPNSDN-UHFFFAOYSA-N -1 1 285.307 1.921 20 0 CDADMM CCC[C@@H](NC(=O)c1cnn(CCC)c1C)c1nn[n-]n1 ZINC001362209764 971016685 /nfs/dbraw/zinc/01/66/85/971016685.db2.gz HVWBAQHHSZUKTB-LLVKDONJSA-N -1 1 291.359 1.386 20 0 CDADMM COC(=O)c1cccc2[n-]c(O[C@@H]3COC[C@H]3F)nc21 ZINC001234038274 943722738 /nfs/dbraw/zinc/72/27/38/943722738.db2.gz AMVLOUVLCPVPMQ-PSASIEDQSA-N -1 1 280.255 1.465 20 0 CDADMM O=C([O-])[C@@H]1CC[C@H](NC(=O)[C@H]2CCN2C2CCCC2)C1 ZINC001601570590 971019540 /nfs/dbraw/zinc/01/95/40/971019540.db2.gz YLXSGGIVZSNBAZ-NTZNESFSSA-N -1 1 280.368 1.373 20 0 CDADMM C[C@@H](Oc1c(C(N)=O)nc[n-]c1=O)c1cccs1 ZINC001234461853 943846307 /nfs/dbraw/zinc/84/63/07/943846307.db2.gz AKCUBEHXMHXQCP-ZCFIWIBFSA-N -1 1 265.294 1.483 20 0 CDADMM C[C@@H]1CC[C@H](Oc2c(C(N)=O)nc[n-]c2=O)C[C@H]1C ZINC001234468290 943852906 /nfs/dbraw/zinc/85/29/06/943852906.db2.gz PRQQTZGUBJAIMG-HLTSFMKQSA-N -1 1 265.313 1.485 20 0 CDADMM COC(=O)c1nc(C)[n-]c(=O)c1OC[C@@H]1CC[C@H](C)O1 ZINC001234557789 943890654 /nfs/dbraw/zinc/89/06/54/943890654.db2.gz NSXIBQYUWRFLQV-CBAPKCEASA-N -1 1 282.296 1.224 20 0 CDADMM CCC(CC)n1nccc1C(=O)OCc1nn[n-]n1 ZINC001263528855 943892347 /nfs/dbraw/zinc/89/23/47/943892347.db2.gz PRYYSCGJTAARPJ-UHFFFAOYSA-N -1 1 264.289 1.114 20 0 CDADMM CC[C@H](C)Oc1c(C(N)=O)nc(C(C)C)[n-]c1=O ZINC001234563080 943894604 /nfs/dbraw/zinc/89/46/04/943894604.db2.gz UITMPCGLQMJMDN-ZETCQYMHSA-N -1 1 253.302 1.582 20 0 CDADMM CC(C)c1nc(C(N)=O)c(O[C@@H]2C[C@H]3C[C@H]3C2)c(=O)[n-]1 ZINC001234565152 943896084 /nfs/dbraw/zinc/89/60/84/943896084.db2.gz LXSPZDUGYPNOON-AYMMMOKOSA-N -1 1 277.324 1.582 20 0 CDADMM CC(C)c1nc(C(N)=O)c(O[C@H]2C=CCC2)c(=O)[n-]1 ZINC001234564517 943896932 /nfs/dbraw/zinc/89/69/32/943896932.db2.gz DNMJQYGWFSOUND-QMMMGPOBSA-N -1 1 263.297 1.502 20 0 CDADMM CC(C)c1nc(C(N)=O)c(O[C@@H]2C=CCCC2)c(=O)[n-]1 ZINC001234564759 943897060 /nfs/dbraw/zinc/89/70/60/943897060.db2.gz HIFGSNGWJNNZGS-SECBINFHSA-N -1 1 277.324 1.892 20 0 CDADMM COC(=O)c1nc(C)[n-]c(=O)c1O[C@@H](C)c1ccccn1 ZINC001234565562 943897350 /nfs/dbraw/zinc/89/73/50/943897350.db2.gz WQRSMOGMBCUUGO-QMMMGPOBSA-N -1 1 289.291 1.812 20 0 CDADMM COC(=O)C[C@H](Oc1nc2sccc2[n-]1)C(=O)OC ZINC001234852088 943960258 /nfs/dbraw/zinc/96/02/58/943960258.db2.gz RIOXRGDWVMURRM-ZETCQYMHSA-N -1 1 284.293 1.108 20 0 CDADMM CC(C)(CO)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001259034139 945474861 /nfs/dbraw/zinc/47/48/61/945474861.db2.gz YXENTHTZXQEAJV-UHFFFAOYSA-N -1 1 283.271 1.153 20 0 CDADMM CC(C)c1nc(C[N-]S(=O)(=O)c2ccccn2)no1 ZINC001259290404 945546796 /nfs/dbraw/zinc/54/67/96/945546796.db2.gz NDPHEFXTJAAPTJ-UHFFFAOYSA-N -1 1 282.325 1.067 20 0 CDADMM Cc1cc2c(c(-c3ccc(N)nc3F)n1)C(=O)[N-]C2=O ZINC001239815567 945598506 /nfs/dbraw/zinc/59/85/06/945598506.db2.gz XFGOIKSEYQABCG-UHFFFAOYSA-N -1 1 272.239 1.057 20 0 CDADMM Cc1cc([N-]S(=O)(=O)C2CCCCC2)nn1C ZINC001259807805 945645012 /nfs/dbraw/zinc/64/50/12/945645012.db2.gz JWSAYLXIDZULTG-UHFFFAOYSA-N -1 1 257.359 1.803 20 0 CDADMM COc1cncc(-c2nc(C)cc3c2C(=O)[N-]C3=O)c1 ZINC001239928007 945651531 /nfs/dbraw/zinc/65/15/31/945651531.db2.gz FKZTWSRFJYZJBA-UHFFFAOYSA-N -1 1 269.260 1.344 20 0 CDADMM O=S(=O)(CCC(F)(F)F)[N-]c1ncccc1F ZINC001259866202 945667946 /nfs/dbraw/zinc/66/79/46/945667946.db2.gz RLEIJDWTJWDOCA-UHFFFAOYSA-N -1 1 272.223 1.915 20 0 CDADMM CC(C)CS(=O)(=O)[N-]c1cnn2cc(F)ccc12 ZINC001259879258 945675558 /nfs/dbraw/zinc/67/55/58/945675558.db2.gz DMQVVBDGQKNBJK-UHFFFAOYSA-N -1 1 271.317 1.871 20 0 CDADMM O=S(=O)([N-][C@@H]1CCCCC1(F)F)C1CCOCC1 ZINC001259919525 945702661 /nfs/dbraw/zinc/70/26/61/945702661.db2.gz YJEBPEWYQDUXDB-SNVBAGLBSA-N -1 1 283.340 1.663 20 0 CDADMM O=S(=O)([N-]Cc1cccnc1N1CCCC1)C(F)F ZINC001259961629 945751733 /nfs/dbraw/zinc/75/17/33/945751733.db2.gz NUSPHYSMWZVQKC-UHFFFAOYSA-N -1 1 291.323 1.324 20 0 CDADMM Cn1cc(C[N-]S(=O)(=O)C(F)F)c2ccccc21 ZINC001259960882 945752675 /nfs/dbraw/zinc/75/26/75/945752675.db2.gz NZJPVRGTUGCHKA-UHFFFAOYSA-N -1 1 274.292 1.820 20 0 CDADMM COCCS(=O)(=O)[N-]c1ccccc1C1OCCO1 ZINC001259972895 945768194 /nfs/dbraw/zinc/76/81/94/945768194.db2.gz FUPFXMDRICYTME-UHFFFAOYSA-N -1 1 287.337 1.120 20 0 CDADMM O=S(=O)(Cc1ccccc1F)[N-]c1cncnc1 ZINC001260621104 945839897 /nfs/dbraw/zinc/83/98/97/945839897.db2.gz XOZBCBSZGWFDSJ-UHFFFAOYSA-N -1 1 267.285 1.558 20 0 CDADMM CC[C@@H](C)S(=O)(=O)[N-]c1cccc(/C=C/C(=O)OC)n1 ZINC001260726854 945868668 /nfs/dbraw/zinc/86/86/68/945868668.db2.gz HHQXYODUPBTDOU-AAXQSMANSA-N -1 1 298.364 1.808 20 0 CDADMM CC[C@H](C)S(=O)(=O)[N-]c1cc([C@H](C)O)ccn1 ZINC001260727277 945868775 /nfs/dbraw/zinc/86/87/75/945868775.db2.gz PFDDQCWFIFYXDM-IUCAKERBSA-N -1 1 258.343 1.675 20 0 CDADMM CC[C@@H](C)S(=O)(=O)[N-]c1cn2ccccc2n1 ZINC001260727417 945870419 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/nfs/dbraw/zinc/95/94/08/413959408.db2.gz AFXTYTSWSHNKJF-UHFFFAOYSA-N -1 1 280.328 1.031 20 0 CDADMM O=C(C=Cc1ccc(C(F)(F)F)cc1)Nc1nnn[n-]1 ZINC000078379984 177336190 /nfs/dbraw/zinc/33/61/90/177336190.db2.gz PBUXDWLBWVFFAB-ZZXKWVIFSA-N -1 1 283.213 1.870 20 0 CDADMM O=C(C=Cc1ccc(C(F)(F)F)cc1)Nc1nn[n-]n1 ZINC000078379984 177336191 /nfs/dbraw/zinc/33/61/91/177336191.db2.gz PBUXDWLBWVFFAB-ZZXKWVIFSA-N -1 1 283.213 1.870 20 0 CDADMM COC(=O)c1sccc1[N-]S(=O)(=O)CC1CC1 ZINC000078723107 177375933 /nfs/dbraw/zinc/37/59/33/177375933.db2.gz LBRXTXQIOMRLKO-UHFFFAOYSA-N -1 1 275.351 1.686 20 0 CDADMM CC[C@@H](NC(=O)c1ccc([O-])cc1F)[C@@H](O)CC ZINC000313110322 260249186 /nfs/dbraw/zinc/24/91/86/260249186.db2.gz KKSWRDLKXRZPIE-NEPJUHHUSA-N -1 1 255.289 1.811 20 0 CDADMM CC1(C)CN(CC(=O)[N-]OCc2ccccc2)CC[C@H]1O ZINC000275544097 263033570 /nfs/dbraw/zinc/03/35/70/263033570.db2.gz ZKKPUKKFFHJMKF-CQSZACIVSA-N -1 1 292.379 1.327 20 0 CDADMM CCc1ccccc1CN1CCOC[C@H]1CC(=O)[O-] ZINC000128769459 424290998 /nfs/dbraw/zinc/29/09/98/424290998.db2.gz ZQIYFPGULOHPKG-CQSZACIVSA-N -1 1 263.337 1.925 20 0 CDADMM CC1(C)C[C@@H](NC(=O)c2cnn[nH]2)c2cc(F)ccc2O1 ZINC000652819024 424250593 /nfs/dbraw/zinc/25/05/93/424250593.db2.gz UTBOCAGTXCMDRI-SNVBAGLBSA-N -1 1 290.298 1.976 20 0 CDADMM O=C([O-])[C@]1(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC=CCC1 ZINC000653295262 424473095 /nfs/dbraw/zinc/47/30/95/424473095.db2.gz KIXDUFJEOCXNSN-IAQYHMDHSA-N -1 1 289.335 1.714 20 0 CDADMM C[C@@H](OC(=O)c1sccc1-c1nn[n-]n1)C(F)F ZINC001590016354 1173234680 /nfs/dbraw/zinc/23/46/80/1173234680.db2.gz UEIYQBGYGMHJBC-SCSAIBSYSA-N -1 1 274.252 1.739 20 0 CDADMM CCC(C)(C)N1CCN(C(=O)[C@]2(C(=O)[O-])CC2(C)C)CC1 ZINC000663118544 424656412 /nfs/dbraw/zinc/65/64/12/424656412.db2.gz CLIYQCHBBZWLLO-INIZCTEOSA-N -1 1 296.411 1.820 20 0 CDADMM CO[C@]1(C(=O)[O-])CCN(Cc2nc3ccccc3s2)C1 ZINC000530169374 271126621 /nfs/dbraw/zinc/12/66/21/271126621.db2.gz LUIDQWYOZQUQNP-CQSZACIVSA-N -1 1 292.360 1.972 20 0 CDADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001590221712 1173301269 /nfs/dbraw/zinc/30/12/69/1173301269.db2.gz ZXEGYZPYPCPDOJ-KATARQTJSA-N -1 1 271.328 1.361 20 0 CDADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001590221712 1173301277 /nfs/dbraw/zinc/30/12/77/1173301277.db2.gz ZXEGYZPYPCPDOJ-KATARQTJSA-N -1 1 271.328 1.361 20 0 CDADMM C[C@H]1CCC(F)(F)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001590229693 1173309383 /nfs/dbraw/zinc/30/93/83/1173309383.db2.gz FYZCMRODGKPTPO-ZETCQYMHSA-N -1 1 281.270 1.281 20 0 CDADMM C[C@H]1CCC(F)(F)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001590229693 1173309388 /nfs/dbraw/zinc/30/93/88/1173309388.db2.gz FYZCMRODGKPTPO-ZETCQYMHSA-N -1 1 281.270 1.281 20 0 CDADMM CCC(C)(C)NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590376542 1173380402 /nfs/dbraw/zinc/38/04/02/1173380402.db2.gz HKNLDMHCPPVLCI-UHFFFAOYSA-N -1 1 263.301 1.687 20 0 CDADMM CCC(C)(C)NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590376542 1173380406 /nfs/dbraw/zinc/38/04/06/1173380406.db2.gz HKNLDMHCPPVLCI-UHFFFAOYSA-N -1 1 263.301 1.687 20 0 CDADMM CCC(C)(C)CCOc1cnc(-c2nn[n-]n2)nc1 ZINC001590375185 1173380870 /nfs/dbraw/zinc/38/08/70/1173380870.db2.gz ALDWPGUPDNWYKZ-UHFFFAOYSA-N -1 1 262.317 1.862 20 0 CDADMM CC[C@@H](C)[C@H](CNc1cc(-c2nnn[n-]2)ncn1)OC ZINC001590399651 1173389593 /nfs/dbraw/zinc/38/95/93/1173389593.db2.gz JZBUAKQIVWOPKD-SCZZXKLOSA-N -1 1 277.332 1.130 20 0 CDADMM CC[C@@H](C)[C@H](CNc1cc(-c2nn[n-]n2)ncn1)OC ZINC001590399651 1173389602 /nfs/dbraw/zinc/38/96/02/1173389602.db2.gz JZBUAKQIVWOPKD-SCZZXKLOSA-N -1 1 277.332 1.130 20 0 CDADMM C[C@@H](NC(=O)c1cnn[nH]1)c1ccc(Cl)cc1 ZINC000108285276 279304009 /nfs/dbraw/zinc/30/40/09/279304009.db2.gz AAKLMYNDJPNXMP-SSDOTTSWSA-N -1 1 250.689 1.949 20 0 CDADMM CCC(CC)[C@@H](O)CNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001590431622 1173408071 /nfs/dbraw/zinc/40/80/71/1173408071.db2.gz LOPPVHGSVARXPN-NSHDSACASA-N -1 1 290.371 1.779 20 0 CDADMM CCC(CC)[C@@H](O)CNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001590431622 1173408078 /nfs/dbraw/zinc/40/80/78/1173408078.db2.gz LOPPVHGSVARXPN-NSHDSACASA-N -1 1 290.371 1.779 20 0 CDADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccs2)c1 ZINC000194026987 280021385 /nfs/dbraw/zinc/02/13/85/280021385.db2.gz KTNPQZGWXMMOKJ-UHFFFAOYSA-N -1 1 298.345 1.353 20 0 CDADMM CC(C)NC(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000229182108 280110743 /nfs/dbraw/zinc/11/07/43/280110743.db2.gz PCFYKFHXHVQRTP-QMMMGPOBSA-N -1 1 284.743 1.689 20 0 CDADMM CCN(CC(N)=O)C(=O)c1ccc2ccccc2c1[O-] ZINC000231821430 280120358 /nfs/dbraw/zinc/12/03/58/280120358.db2.gz IECNVCLNLVQERE-UHFFFAOYSA-N -1 1 272.304 1.493 20 0 CDADMM O=C(c1c(F)cccc1F)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129287760 280157281 /nfs/dbraw/zinc/15/72/81/280157281.db2.gz RDFMTRQZRYJTSZ-MRVPVSSYSA-N -1 1 293.277 1.498 20 0 CDADMM O=C(c1cncc([O-])c1)N1CC[C@H](C2CCOCC2)C1 ZINC000339309489 280231805 /nfs/dbraw/zinc/23/18/05/280231805.db2.gz FSPQVCMQNIRGQA-LBPRGKRZSA-N -1 1 276.336 1.676 20 0 CDADMM CC(C)CN(CCC(=O)[O-])Cc1ncnn1CC(C)C ZINC000521056003 281068056 /nfs/dbraw/zinc/06/80/56/281068056.db2.gz LSIIJNJKWGTVHP-UHFFFAOYSA-N -1 1 282.388 1.867 20 0 CDADMM CCC1(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)CCCC1 ZINC001590488527 1173431369 /nfs/dbraw/zinc/43/13/69/1173431369.db2.gz NCBXPIPEIUYBMN-UHFFFAOYSA-N -1 1 289.343 1.807 20 0 CDADMM CN(Cc1ccc(Cl)c(F)c1)C(=O)c1nc(=O)[n-][nH]1 ZINC000155985627 289255676 /nfs/dbraw/zinc/25/56/76/289255676.db2.gz QSKBUBIDJXIYTF-UHFFFAOYSA-N -1 1 284.678 1.163 20 0 CDADMM CC(C)Oc1cccc(C=CC(=O)Nc2nnn[n-]2)c1 ZINC000255588388 289378797 /nfs/dbraw/zinc/37/87/97/289378797.db2.gz FXJGBEWXBVGVIP-SREVYHEPSA-N -1 1 273.296 1.639 20 0 CDADMM CC(C)Oc1cccc(C=CC(=O)Nc2nn[n-]n2)c1 ZINC000255588388 289378798 /nfs/dbraw/zinc/37/87/98/289378798.db2.gz FXJGBEWXBVGVIP-SREVYHEPSA-N -1 1 273.296 1.639 20 0 CDADMM Cc1o[n-]c(=N)c1S(=O)(=O)NCCC1=CCCCCC1 ZINC000554908281 290198347 /nfs/dbraw/zinc/19/83/47/290198347.db2.gz TYTHTSQJMXDYTC-UHFFFAOYSA-N -1 1 299.396 1.954 20 0 CDADMM Cc1onc(N)c1S(=O)(=O)[N-]CCC1=CCCCCC1 ZINC000554908281 290198348 /nfs/dbraw/zinc/19/83/48/290198348.db2.gz TYTHTSQJMXDYTC-UHFFFAOYSA-N -1 1 299.396 1.954 20 0 CDADMM O=C(NC1(c2nn[n-]n2)CC1)[C@@H]1CCc2ccccc2C1 ZINC000563259058 293327299 /nfs/dbraw/zinc/32/72/99/293327299.db2.gz NULHFXCUHJKIIJ-GFCCVEGCSA-N -1 1 283.335 1.110 20 0 CDADMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1cnn(C)c1C(F)(F)F ZINC000563289220 293335820 /nfs/dbraw/zinc/33/58/20/293335820.db2.gz PYWDJJNHPBQZMM-VXNVDRBHSA-N -1 1 291.273 1.734 20 0 CDADMM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)CCC1CCC1 ZINC000564688035 293393967 /nfs/dbraw/zinc/39/39/67/293393967.db2.gz LDALOKQCRYJNGF-SECBINFHSA-N -1 1 299.339 1.293 20 0 CDADMM COCCNCC(=O)N=c1cc(-c2ccc(C)s2)[n-][nH]1 ZINC000564914458 293454849 /nfs/dbraw/zinc/45/48/49/293454849.db2.gz ZKAITWMWHRFDKN-UHFFFAOYSA-N -1 1 294.380 1.043 20 0 CDADMM CC[C@H](C)NC(=O)CSc1ncc(C)c(=O)[n-]1 ZINC000568271830 294005681 /nfs/dbraw/zinc/00/56/81/294005681.db2.gz KVLNSVZMAGTJBF-QMMMGPOBSA-N -1 1 255.343 1.497 20 0 CDADMM Cc1cnc(SCCCCC(=O)N(C)C)[n-]c1=O ZINC000568271595 294005861 /nfs/dbraw/zinc/00/58/61/294005861.db2.gz GDYODBMZBWLBKP-UHFFFAOYSA-N -1 1 269.370 1.841 20 0 CDADMM CCCCN(CCCC)Cc1cn(CC(=O)[O-])nn1 ZINC000571648946 294478264 /nfs/dbraw/zinc/47/82/64/294478264.db2.gz JYMGYXIEUDFTDZ-UHFFFAOYSA-N -1 1 268.361 1.765 20 0 CDADMM C[C@@H]1CCCN1S(=O)(=O)[N-]c1cc(C2CC2)n(C)n1 ZINC000572537416 294643120 /nfs/dbraw/zinc/64/31/20/294643120.db2.gz PFFWIHJMZKTXSI-SECBINFHSA-N -1 1 284.385 1.439 20 0 CDADMM O=C(CNC(=O)c1ncccc1[O-])N1CCCC12CCC2 ZINC000347424800 303626771 /nfs/dbraw/zinc/62/67/71/303626771.db2.gz GWSVDDZXUOZIIM-UHFFFAOYSA-N -1 1 289.335 1.062 20 0 CDADMM CO[C@@H](COc1ccc(F)nc1-c1nn[n-]n1)C1CCC1 ZINC001591333341 1173615921 /nfs/dbraw/zinc/61/59/21/1173615921.db2.gz BNODEZWUCUHPQN-JTQLQIEISA-N -1 1 293.302 1.595 20 0 CDADMM COC/C(C)=C/CSc1cccnc1-c1nnn[n-]1 ZINC001591372221 1173634047 /nfs/dbraw/zinc/63/40/47/1173634047.db2.gz VZBPZNOASBADLB-WEVVVXLNSA-N -1 1 277.353 1.947 20 0 CDADMM COC/C(C)=C/CSc1cccnc1-c1nn[n-]n1 ZINC001591372221 1173634053 /nfs/dbraw/zinc/63/40/53/1173634053.db2.gz VZBPZNOASBADLB-WEVVVXLNSA-N -1 1 277.353 1.947 20 0 CDADMM COC[C@H]1CCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001591394648 1173645297 /nfs/dbraw/zinc/64/52/97/1173645297.db2.gz YNFMDOBUPICOLE-RXMQYKEDSA-N -1 1 286.748 1.202 20 0 CDADMM COC[C@H]1CCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001591394648 1173645300 /nfs/dbraw/zinc/64/53/00/1173645300.db2.gz YNFMDOBUPICOLE-RXMQYKEDSA-N -1 1 286.748 1.202 20 0 CDADMM COCCCCNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001591412535 1173649265 /nfs/dbraw/zinc/64/92/65/1173649265.db2.gz OXRRAZARMCHONU-UHFFFAOYSA-N -1 1 262.317 1.409 20 0 CDADMM COCCCCNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001591412535 1173649267 /nfs/dbraw/zinc/64/92/67/1173649267.db2.gz OXRRAZARMCHONU-UHFFFAOYSA-N -1 1 262.317 1.409 20 0 CDADMM CO[C@H]1CCCC[C@@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591475128 1173661233 /nfs/dbraw/zinc/66/12/33/1173661233.db2.gz ZBCQFAIIRRLCDK-JQWIXIFHSA-N -1 1 274.328 1.053 20 0 CDADMM CO[C@H]1CCCC[C@@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591475128 1173661236 /nfs/dbraw/zinc/66/12/36/1173661236.db2.gz ZBCQFAIIRRLCDK-JQWIXIFHSA-N -1 1 274.328 1.053 20 0 CDADMM CS[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001591693120 1173683323 /nfs/dbraw/zinc/68/33/23/1173683323.db2.gz IDLUZFFPKOCFOZ-SSDOTTSWSA-N -1 1 295.393 1.506 20 0 CDADMM CS[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001591693120 1173683325 /nfs/dbraw/zinc/68/33/25/1173683325.db2.gz IDLUZFFPKOCFOZ-SSDOTTSWSA-N -1 1 295.393 1.506 20 0 CDADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591753307 1173697114 /nfs/dbraw/zinc/69/71/14/1173697114.db2.gz QBEFBOVJKJOCAD-LURQLKTLSA-N -1 1 273.296 1.234 20 0 CDADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591753307 1173697117 /nfs/dbraw/zinc/69/71/17/1173697117.db2.gz QBEFBOVJKJOCAD-LURQLKTLSA-N -1 1 273.296 1.234 20 0 CDADMM COC(=O)c1cccc(CNC(=O)c2cncc([O-])c2)c1 ZINC000176829689 315924758 /nfs/dbraw/zinc/92/47/58/315924758.db2.gz 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/nfs/dbraw/zinc/50/79/20/574507920.db2.gz TZTUDQDFOCNWKP-UHFFFAOYSA-N -1 1 287.319 1.182 20 0 CDADMM C[C@@H](NCc1cnn(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000737700608 574527606 /nfs/dbraw/zinc/52/76/06/574527606.db2.gz LVCHUDABNPTLAD-MRVPVSSYSA-N -1 1 280.715 1.483 20 0 CDADMM O=C(COC(=O)c1cscn1)[N-]C(=O)c1ccccc1 ZINC000728338090 574628010 /nfs/dbraw/zinc/62/80/10/574628010.db2.gz LCMOJDTXTOGFCH-UHFFFAOYSA-N -1 1 290.300 1.257 20 0 CDADMM O=S(=O)([N-][C@H](CCO)C1CC1)c1cc(F)ccc1F ZINC000751443923 574644496 /nfs/dbraw/zinc/64/44/96/574644496.db2.gz WVAFCKDRJLILJH-LLVKDONJSA-N -1 1 291.319 1.404 20 0 CDADMM O=C([O-])CCCCN1CCN(CC(F)F)CC1 ZINC000738570750 574708229 /nfs/dbraw/zinc/70/82/29/574708229.db2.gz MCLOIRGDSUHAIL-UHFFFAOYSA-N -1 1 250.289 1.124 20 0 CDADMM O=C([O-])c1ccoc1CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000740249477 576450295 /nfs/dbraw/zinc/45/02/95/576450295.db2.gz WRCJJZFJTLGQHJ-CHWSQXEVSA-N -1 1 294.351 1.009 20 0 CDADMM O=C(OCCC[N-]C(=O)C(F)(F)F)[C@@H]1CCCS1 ZINC000774961907 575254044 /nfs/dbraw/zinc/25/40/44/575254044.db2.gz JSURHXBBSWAYMG-ZETCQYMHSA-N -1 1 285.287 1.494 20 0 CDADMM C/C=C(/C)C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774968626 575257310 /nfs/dbraw/zinc/25/73/10/575257310.db2.gz WPYMXLXKURZJTD-CLTKARDFSA-N -1 1 253.220 1.564 20 0 CDADMM O=C(N[C@@H]1CCCCNC1=O)c1c([O-])cccc1Cl ZINC000769694784 575373111 /nfs/dbraw/zinc/37/31/11/575373111.db2.gz UHSUVPFSMLIBBZ-SECBINFHSA-N -1 1 282.727 1.444 20 0 CDADMM O=C(NN1CCCC1=O)c1cc2ccccc2cc1[O-] ZINC000770542953 575463359 /nfs/dbraw/zinc/46/33/59/575463359.db2.gz DDDQDGRMAOQQIJ-UHFFFAOYSA-N -1 1 270.288 1.813 20 0 CDADMM C1=CC[C@@]2(CC1)CCCN(c1nccnc1-c1nnn[n-]1)C2 ZINC000735399953 575464783 /nfs/dbraw/zinc/46/47/83/575464783.db2.gz OXHAPKVDASDRAT-OAHLLOKOSA-N -1 1 297.366 1.983 20 0 CDADMM C1=CC[C@@]2(CC1)CCCN(c1nccnc1-c1nn[n-]n1)C2 ZINC000735399953 575464785 /nfs/dbraw/zinc/46/47/85/575464785.db2.gz OXHAPKVDASDRAT-OAHLLOKOSA-N -1 1 297.366 1.983 20 0 CDADMM CC(C)[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 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ZINC000736217644 575592220 /nfs/dbraw/zinc/59/22/20/575592220.db2.gz ZWZYNVIVOPIRRA-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM C[C@H]1C[C@@H]1c1ccc(CNc2nccnc2-c2nnn[n-]2)o1 ZINC000736241291 575597903 /nfs/dbraw/zinc/59/79/03/575597903.db2.gz WTZRGYMAGOKFOX-WPRPVWTQSA-N -1 1 297.322 1.985 20 0 CDADMM C[C@H]1C[C@@H]1c1ccc(CNc2nccnc2-c2nn[n-]n2)o1 ZINC000736241291 575597908 /nfs/dbraw/zinc/59/79/08/575597908.db2.gz WTZRGYMAGOKFOX-WPRPVWTQSA-N -1 1 297.322 1.985 20 0 CDADMM C[C@@H]1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@H]1C ZINC000736254101 575605062 /nfs/dbraw/zinc/60/50/62/575605062.db2.gz PWKKSUFWHOWHTE-UTLUCORTSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@H]1C ZINC000736254101 575605063 /nfs/dbraw/zinc/60/50/63/575605063.db2.gz PWKKSUFWHOWHTE-UTLUCORTSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736259388 575606511 /nfs/dbraw/zinc/60/65/11/575606511.db2.gz DYIGHOIIOHZTFW-SCZZXKLOSA-N -1 1 272.312 1.180 20 0 CDADMM C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736259388 575606515 /nfs/dbraw/zinc/60/65/15/575606515.db2.gz DYIGHOIIOHZTFW-SCZZXKLOSA-N -1 1 272.312 1.180 20 0 CDADMM CCCCS[C@H](C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000736463988 575669924 /nfs/dbraw/zinc/66/99/24/575669924.db2.gz UCRSXLSTZMQEKZ-SSDOTTSWSA-N -1 1 295.372 1.207 20 0 CDADMM C[C@@H](CN(C)CC(=O)Nc1ccc(Cl)cn1)C(=O)[O-] ZINC000736570224 575692282 /nfs/dbraw/zinc/69/22/82/575692282.db2.gz BZUZSKAKWVNGSY-QMMMGPOBSA-N -1 1 285.731 1.326 20 0 CDADMM CC(=O)c1ccc(OS(=O)(=O)c2c[n-]cn2)c(C)c1 ZINC000736631699 575705497 /nfs/dbraw/zinc/70/54/97/575705497.db2.gz QMMPJLKXEDHKKB-UHFFFAOYSA-N -1 1 280.305 1.688 20 0 CDADMM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1CCC(=O)[O-] ZINC000736824164 575759907 /nfs/dbraw/zinc/75/99/07/575759907.db2.gz PCMNSYIGKXRFNL-LLVKDONJSA-N -1 1 292.335 1.370 20 0 CDADMM CC[C@](C)(NCC(=O)NCc1ccc(OC)cc1)C(=O)[O-] ZINC000736861890 575766502 /nfs/dbraw/zinc/76/65/02/575766502.db2.gz XGKTVEOJNBKNIY-HNNXBMFYSA-N -1 1 294.351 1.154 20 0 CDADMM CC[C@H]1CN(Cc2cc(C(=O)[O-])co2)CCN1CCOC ZINC000736942691 575774687 /nfs/dbraw/zinc/77/46/87/575774687.db2.gz CPDAOLBBZHYPLI-ZDUSSCGKSA-N -1 1 296.367 1.520 20 0 CDADMM Cc1ccc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)s1 ZINC000773148567 575785894 /nfs/dbraw/zinc/78/58/94/575785894.db2.gz FIBDMVUHLCRTHZ-MRVPVSSYSA-N -1 1 295.393 1.500 20 0 CDADMM O=C(CCC1CCCC1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773155983 575786261 /nfs/dbraw/zinc/78/62/61/575786261.db2.gz WUWGXOHEGGLXBC-NSHDSACASA-N -1 1 295.412 1.787 20 0 CDADMM CN(C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000737360744 575947168 /nfs/dbraw/zinc/94/71/68/575947168.db2.gz NSHRVZPFBDOCEI-LLVKDONJSA-N -1 1 268.288 1.019 20 0 CDADMM C[C@H](CCC(C)(C)C)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765509777 576033531 /nfs/dbraw/zinc/03/35/31/576033531.db2.gz UPVXMRRRXMVPBK-SECBINFHSA-N -1 1 269.345 1.614 20 0 CDADMM Cc1cc(CNC(=O)Nc2nc(CC(=O)[O-])cs2)[nH]n1 ZINC000738233955 576051836 /nfs/dbraw/zinc/05/18/36/576051836.db2.gz RBHRCOQOPHIMEV-UHFFFAOYSA-N -1 1 295.324 1.123 20 0 CDADMM O=C(OCc1cccnc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738234522 576051875 /nfs/dbraw/zinc/05/18/75/576051875.db2.gz IOYMBGURYPKIGW-UHFFFAOYSA-N -1 1 282.263 1.014 20 0 CDADMM O=C(OCc1cccnc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738234522 576051876 /nfs/dbraw/zinc/05/18/76/576051876.db2.gz IOYMBGURYPKIGW-UHFFFAOYSA-N -1 1 282.263 1.014 20 0 CDADMM OC[C@H](Cc1ccccc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC000738391793 576067529 /nfs/dbraw/zinc/06/75/29/576067529.db2.gz ZMRBRGZVBHSLAR-LBPRGKRZSA-N -1 1 296.334 1.277 20 0 CDADMM OC[C@H](Cc1ccccc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC000738391793 576067531 /nfs/dbraw/zinc/06/75/31/576067531.db2.gz ZMRBRGZVBHSLAR-LBPRGKRZSA-N -1 1 296.334 1.277 20 0 CDADMM c1cc(NCc2ccc3c(c2)CCO3)nc(-c2nnn[n-]2)c1 ZINC000738420137 576071893 /nfs/dbraw/zinc/07/18/93/576071893.db2.gz WIUPGWOQRBOMFK-UHFFFAOYSA-N -1 1 294.318 1.809 20 0 CDADMM c1cc(NCc2ccc3c(c2)CCO3)nc(-c2nn[n-]n2)c1 ZINC000738420137 576071894 /nfs/dbraw/zinc/07/18/94/576071894.db2.gz WIUPGWOQRBOMFK-UHFFFAOYSA-N -1 1 294.318 1.809 20 0 CDADMM c1ccc(NCCNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000738434646 576074059 /nfs/dbraw/zinc/07/40/59/576074059.db2.gz HHDUENOBJWGUEG-UHFFFAOYSA-N -1 1 281.323 1.786 20 0 CDADMM c1ccc(NCCNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000738434646 576074061 /nfs/dbraw/zinc/07/40/61/576074061.db2.gz HHDUENOBJWGUEG-UHFFFAOYSA-N -1 1 281.323 1.786 20 0 CDADMM Cc1nn(C)c2ncc(C[N@H+]3CCC[C@H](C(=O)[O-])C3)cc12 ZINC000738918304 576135262 /nfs/dbraw/zinc/13/52/62/576135262.db2.gz LPAHOCRMBSVWJS-LBPRGKRZSA-N -1 1 288.351 1.573 20 0 CDADMM O=S(=O)(/C=C/c1ccccc1)[N-]c1cncnc1 ZINC000767045068 576155313 /nfs/dbraw/zinc/15/53/13/576155313.db2.gz CAXNVYZMAVGRNY-VOTSOKGWSA-N -1 1 261.306 1.889 20 0 CDADMM O=C([O-])[C@@H](F)CSc1nc(-c2ccccn2)n[nH]1 ZINC000739503666 576242661 /nfs/dbraw/zinc/24/26/61/576242661.db2.gz VKMDUADGAAIVAC-LURJTMIESA-N -1 1 268.273 1.382 20 0 CDADMM CCC(CC)(CC)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000760559882 576494019 /nfs/dbraw/zinc/49/40/19/576494019.db2.gz XTXXBUBHLXAAIY-JTQLQIEISA-N -1 1 281.360 1.316 20 0 CDADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCC1CC1 ZINC000763934914 576766664 /nfs/dbraw/zinc/76/66/64/576766664.db2.gz ZHDQMYPXFZPXML-UHFFFAOYSA-N -1 1 275.351 1.686 20 0 CDADMM O=S(=O)([N-]Cc1cocn1)c1cc2ccccc2o1 ZINC000754028258 576874332 /nfs/dbraw/zinc/87/43/32/576874332.db2.gz QKPLMDIZGOUWGN-UHFFFAOYSA-N -1 1 278.289 1.899 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)c1cn[nH]c1 ZINC000754337904 576892231 /nfs/dbraw/zinc/89/22/31/576892231.db2.gz PRVNZFJESNIXBO-UHFFFAOYSA-N -1 1 275.312 1.614 20 0 CDADMM O=C(COC(=O)[C@H]1C[C@@H]1C1CC1)[N-]C(=O)c1ccccc1 ZINC000751741300 577062976 /nfs/dbraw/zinc/06/29/76/577062976.db2.gz WHSDHVOJDJVQDE-OLZOCXBDSA-N -1 1 287.315 1.532 20 0 CDADMM CC(C)c1ncc(S(=O)(=O)Oc2cccnc2)[n-]1 ZINC000758546434 577115937 /nfs/dbraw/zinc/11/59/37/577115937.db2.gz WMSFAGPDGHDHJU-UHFFFAOYSA-N -1 1 267.310 1.696 20 0 CDADMM CC(C)c1nc(S(=O)(=O)Oc2cccnc2)c[n-]1 ZINC000758546434 577115938 /nfs/dbraw/zinc/11/59/38/577115938.db2.gz WMSFAGPDGHDHJU-UHFFFAOYSA-N -1 1 267.310 1.696 20 0 CDADMM O=C([O-])CCC[C@H]1CCC[C@@H]([NH2+]Cc2cnn[n-]2)C1 ZINC001601980696 1175096079 /nfs/dbraw/zinc/09/60/79/1175096079.db2.gz BATWOHCQACQCOO-GHMZBOCLSA-N -1 1 266.345 1.708 20 0 CDADMM O=C([O-])CCN(Cc1cnc2n1CCC2)C[C@H]1CCCO1 ZINC001602008046 1175109640 /nfs/dbraw/zinc/10/96/40/1175109640.db2.gz HEPYIXOTCJDGSI-CYBMUJFWSA-N -1 1 293.367 1.285 20 0 CDADMM O=C([O-])CNC(=O)[C@H]1CCCN1CCOC1CCCCC1 ZINC001602066101 1175124215 /nfs/dbraw/zinc/12/42/15/1175124215.db2.gz CAUWNSPGYTWSLD-CYBMUJFWSA-N -1 1 298.383 1.001 20 0 CDADMM CC[C@H](C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC000820870473 599067983 /nfs/dbraw/zinc/06/79/83/599067983.db2.gz SWWGEKZJDXXVBX-IUCAKERBSA-N -1 1 261.333 1.893 20 0 CDADMM CC[C@H](C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC000820870473 599067987 /nfs/dbraw/zinc/06/79/87/599067987.db2.gz SWWGEKZJDXXVBX-IUCAKERBSA-N -1 1 261.333 1.893 20 0 CDADMM 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COC(=O)CSc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821663563 606440054 /nfs/dbraw/zinc/44/00/54/606440054.db2.gz CWDBMFJTDOFEDG-UHFFFAOYSA-N -1 1 285.716 1.180 20 0 CDADMM COC(=O)CSc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821663563 606440056 /nfs/dbraw/zinc/44/00/56/606440056.db2.gz CWDBMFJTDOFEDG-UHFFFAOYSA-N -1 1 285.716 1.180 20 0 CDADMM CC1(CNC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820618419 606445944 /nfs/dbraw/zinc/44/59/44/606445944.db2.gz DDGUWPMIOUXMBF-UHFFFAOYSA-N -1 1 263.326 1.458 20 0 CDADMM CC1(CNC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820618419 606445945 /nfs/dbraw/zinc/44/59/45/606445945.db2.gz DDGUWPMIOUXMBF-UHFFFAOYSA-N -1 1 263.326 1.458 20 0 CDADMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC000820456585 606449411 /nfs/dbraw/zinc/44/94/11/606449411.db2.gz VKGUBYZBPHISJL-APPZFPTMSA-N -1 1 294.746 1.895 20 0 CDADMM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC000820456585 606449413 /nfs/dbraw/zinc/44/94/13/606449413.db2.gz VKGUBYZBPHISJL-APPZFPTMSA-N -1 1 294.746 1.895 20 0 CDADMM C[C@@H](CCO)Sc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820249357 606469785 /nfs/dbraw/zinc/46/97/85/606469785.db2.gz VFTIWEXIAOIZTO-LURJTMIESA-N -1 1 285.760 1.778 20 0 CDADMM C[C@@H](CCO)Sc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820249357 606469786 /nfs/dbraw/zinc/46/97/86/606469786.db2.gz VFTIWEXIAOIZTO-LURJTMIESA-N -1 1 285.760 1.778 20 0 CDADMM CCOCCCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821378696 606514767 /nfs/dbraw/zinc/51/47/67/606514767.db2.gz SHQCATPQJJAJBR-UHFFFAOYSA-N -1 1 295.368 1.475 20 0 CDADMM CCOCCCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821378696 606514768 /nfs/dbraw/zinc/51/47/68/606514768.db2.gz SHQCATPQJJAJBR-UHFFFAOYSA-N -1 1 295.368 1.475 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000823289182 606531512 /nfs/dbraw/zinc/53/15/12/606531512.db2.gz FNPPKRKQEGBHRV-UHFFFAOYSA-N -1 1 289.686 1.496 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000823289182 606531514 /nfs/dbraw/zinc/53/15/14/606531514.db2.gz FNPPKRKQEGBHRV-UHFFFAOYSA-N -1 1 289.686 1.496 20 0 CDADMM Cc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)on1 ZINC000822200970 606536404 /nfs/dbraw/zinc/53/64/04/606536404.db2.gz LKBKMKRUNJGNDY-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)on1 ZINC000822200970 606536406 /nfs/dbraw/zinc/53/64/06/606536406.db2.gz LKBKMKRUNJGNDY-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM C[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820696530 606551621 /nfs/dbraw/zinc/55/16/21/606551621.db2.gz AOJJWCOSWPJINN-HTQZYQBOSA-N -1 1 277.353 1.847 20 0 CDADMM C[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820696530 606551623 /nfs/dbraw/zinc/55/16/23/606551623.db2.gz AOJJWCOSWPJINN-HTQZYQBOSA-N -1 1 277.353 1.847 20 0 CDADMM CC[C@@H](C)Cn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC000820869022 606703169 /nfs/dbraw/zinc/70/31/69/606703169.db2.gz DUEXAYMXAITNNA-SSDOTTSWSA-N -1 1 262.317 1.086 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cccc(F)c1 ZINC000095221211 607024647 /nfs/dbraw/zinc/02/46/47/607024647.db2.gz JPZSQWKZRZBTLL-UHFFFAOYSA-N -1 1 290.283 1.715 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cccc(F)c1 ZINC000095221211 607024650 /nfs/dbraw/zinc/02/46/50/607024650.db2.gz JPZSQWKZRZBTLL-UHFFFAOYSA-N -1 1 290.283 1.715 20 0 CDADMM Cc1cc(F)ccc1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826268979 607861651 /nfs/dbraw/zinc/86/16/51/607861651.db2.gz WINIVXMJNCKSPL-UHFFFAOYSA-N -1 1 299.265 1.928 20 0 CDADMM Cc1cc(F)ccc1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826268979 607861652 /nfs/dbraw/zinc/86/16/52/607861652.db2.gz WINIVXMJNCKSPL-UHFFFAOYSA-N -1 1 299.265 1.928 20 0 CDADMM O=[N+]([O-])c1ccc(Oc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000095163568 607894217 /nfs/dbraw/zinc/89/42/17/607894217.db2.gz NCHRMVNOZOCYSA-UHFFFAOYSA-N -1 1 284.235 1.962 20 0 CDADMM O=[N+]([O-])c1ccc(Oc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000095163568 607894218 /nfs/dbraw/zinc/89/42/18/607894218.db2.gz NCHRMVNOZOCYSA-UHFFFAOYSA-N -1 1 284.235 1.962 20 0 CDADMM CN(C)c1ccc(Nc2cccc(-c3nn[n-]n3)n2)cn1 ZINC000825879946 607895511 /nfs/dbraw/zinc/89/55/11/607895511.db2.gz SXIPWRWVBUJLCC-UHFFFAOYSA-N -1 1 282.311 1.466 20 0 CDADMM FC(F)(F)SCCNc1cccc(-c2nnn[n-]2)n1 ZINC000826368316 607896861 /nfs/dbraw/zinc/89/68/61/607896861.db2.gz LJTVVSLTMGILTQ-UHFFFAOYSA-N -1 1 290.274 1.927 20 0 CDADMM FC(F)(F)SCCNc1cccc(-c2nn[n-]n2)n1 ZINC000826368316 607896862 /nfs/dbraw/zinc/89/68/62/607896862.db2.gz LJTVVSLTMGILTQ-UHFFFAOYSA-N -1 1 290.274 1.927 20 0 CDADMM OC[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC000826508409 608184799 /nfs/dbraw/zinc/18/47/99/608184799.db2.gz OQUYEVLMKCPRHX-YFKPBYRVSA-N -1 1 286.748 1.159 20 0 CDADMM OC[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC000826508409 608184800 /nfs/dbraw/zinc/18/48/00/608184800.db2.gz OQUYEVLMKCPRHX-YFKPBYRVSA-N -1 1 286.748 1.159 20 0 CDADMM C[C@H](CO)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824440710 608264896 /nfs/dbraw/zinc/26/48/96/608264896.db2.gz IYCRKKBTRFKVAV-SSDOTTSWSA-N -1 1 252.249 1.013 20 0 CDADMM C[C@H](CO)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824440710 608264898 /nfs/dbraw/zinc/26/48/98/608264898.db2.gz IYCRKKBTRFKVAV-SSDOTTSWSA-N -1 1 252.249 1.013 20 0 CDADMM COc1cccc(Sc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826217266 608395484 /nfs/dbraw/zinc/39/54/84/608395484.db2.gz FHROFQUOTYIYRA-UHFFFAOYSA-N -1 1 286.320 1.817 20 0 CDADMM COc1cccc(Sc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826217266 608395486 /nfs/dbraw/zinc/39/54/86/608395486.db2.gz FHROFQUOTYIYRA-UHFFFAOYSA-N -1 1 286.320 1.817 20 0 CDADMM C[C@@H](Cc1ccccc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824457024 608402410 /nfs/dbraw/zinc/40/24/10/608402410.db2.gz COTKEEPREYITPV-VIFPVBQESA-N -1 1 299.313 1.839 20 0 CDADMM C[C@@H](Cc1ccccc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824457024 608402411 /nfs/dbraw/zinc/40/24/11/608402411.db2.gz COTKEEPREYITPV-VIFPVBQESA-N -1 1 299.313 1.839 20 0 CDADMM CN(c1ccc(-c2nnn[n-]2)nn1)C1Cc2ccccc2C1 ZINC000826003936 608403112 /nfs/dbraw/zinc/40/31/12/608403112.db2.gz ARBXCCZDKOLYSU-UHFFFAOYSA-N -1 1 293.334 1.260 20 0 CDADMM CN(c1ccc(-c2nn[n-]n2)nn1)C1Cc2ccccc2C1 ZINC000826003936 608403114 /nfs/dbraw/zinc/40/31/14/608403114.db2.gz ARBXCCZDKOLYSU-UHFFFAOYSA-N -1 1 293.334 1.260 20 0 CDADMM c1ccc2c(c1)SC[C@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826524383 608422033 /nfs/dbraw/zinc/42/20/33/608422033.db2.gz SRCGFMYNKRDATQ-SNVBAGLBSA-N -1 1 297.347 1.916 20 0 CDADMM c1ccc2c(c1)SC[C@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826524383 608422034 /nfs/dbraw/zinc/42/20/34/608422034.db2.gz SRCGFMYNKRDATQ-SNVBAGLBSA-N -1 1 297.347 1.916 20 0 CDADMM COc1cc(C)ccc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826178393 608431583 /nfs/dbraw/zinc/43/15/83/608431583.db2.gz WGVWDKNWEFSACA-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1cc(C)ccc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826178393 608431584 /nfs/dbraw/zinc/43/15/84/608431584.db2.gz WGVWDKNWEFSACA-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM CC[C@@H](C)CSc1ccc(-c2nnn[n-]2)nn1 ZINC000825066351 608431628 /nfs/dbraw/zinc/43/16/28/608431628.db2.gz CAKURLJHZIZPGL-SSDOTTSWSA-N -1 1 250.331 1.795 20 0 CDADMM CC[C@@H](C)CSc1ccc(-c2nn[n-]n2)nn1 ZINC000825066351 608431629 /nfs/dbraw/zinc/43/16/29/608431629.db2.gz CAKURLJHZIZPGL-SSDOTTSWSA-N -1 1 250.331 1.795 20 0 CDADMM CC[C@H]1CCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825194218 608431726 /nfs/dbraw/zinc/43/17/26/608431726.db2.gz PNKHSSLNYHMIDZ-DTWKUNHWSA-N -1 1 259.317 1.647 20 0 CDADMM CC[C@H]1CCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825194218 608431728 /nfs/dbraw/zinc/43/17/28/608431728.db2.gz PNKHSSLNYHMIDZ-DTWKUNHWSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@H]1CC(Nc2nccnc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000824897438 608444897 /nfs/dbraw/zinc/44/48/97/608444897.db2.gz AGKSPEUBINWQNO-YUMQZZPRSA-N -1 1 275.316 1.025 20 0 CDADMM C[C@H]1CC(Nc2nccnc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000824897438 608444898 /nfs/dbraw/zinc/44/48/98/608444898.db2.gz AGKSPEUBINWQNO-YUMQZZPRSA-N -1 1 275.316 1.025 20 0 CDADMM Fc1cccc2c1CN(c1cccc(-c3nnn[n-]3)n1)CC2 ZINC000826377710 608447019 /nfs/dbraw/zinc/44/70/19/608447019.db2.gz BYLJGELREKUZRN-UHFFFAOYSA-N -1 1 296.309 1.964 20 0 CDADMM Fc1cccc2c1CN(c1cccc(-c3nn[n-]n3)n1)CC2 ZINC000826377710 608447021 /nfs/dbraw/zinc/44/70/21/608447021.db2.gz BYLJGELREKUZRN-UHFFFAOYSA-N -1 1 296.309 1.964 20 0 CDADMM CC[C@@H](C)n1nc(Nc2nccnc2-c2nnn[n-]2)cc1C ZINC000825081529 608587248 /nfs/dbraw/zinc/58/72/48/608587248.db2.gz KVIGTOYYFJBMQV-MRVPVSSYSA-N -1 1 299.342 1.876 20 0 CDADMM CC[C@@H](C)n1nc(Nc2nccnc2-c2nn[n-]n2)cc1C ZINC000825081529 608587249 /nfs/dbraw/zinc/58/72/49/608587249.db2.gz KVIGTOYYFJBMQV-MRVPVSSYSA-N -1 1 299.342 1.876 20 0 CDADMM COc1cccc(OCCn2ccnc2-c2nnn[n-]2)c1 ZINC000826217451 608887569 /nfs/dbraw/zinc/88/75/69/608887569.db2.gz MPNIPBKUKRRNAJ-UHFFFAOYSA-N -1 1 286.295 1.151 20 0 CDADMM COc1cccc(OCCn2ccnc2-c2nn[n-]n2)c1 ZINC000826217451 608887572 /nfs/dbraw/zinc/88/75/72/608887572.db2.gz MPNIPBKUKRRNAJ-UHFFFAOYSA-N -1 1 286.295 1.151 20 0 CDADMM Cc1cccc(C)c1Cn1ccnc1-c1nnn[n-]1 ZINC000826296577 608894883 /nfs/dbraw/zinc/89/48/83/608894883.db2.gz BJZNNBKBDSJKHU-UHFFFAOYSA-N -1 1 254.297 1.728 20 0 CDADMM Cc1cccc(C)c1Cn1ccnc1-c1nn[n-]n1 ZINC000826296577 608894884 /nfs/dbraw/zinc/89/48/84/608894884.db2.gz BJZNNBKBDSJKHU-UHFFFAOYSA-N -1 1 254.297 1.728 20 0 CDADMM CSc1ccccc1Cn1ccnc1-c1nnn[n-]1 ZINC000826231580 609310770 /nfs/dbraw/zinc/31/07/70/609310770.db2.gz QNHUJDGUBOADAJ-UHFFFAOYSA-N -1 1 272.337 1.833 20 0 CDADMM CSc1ccccc1Cn1ccnc1-c1nn[n-]n1 ZINC000826231580 609310772 /nfs/dbraw/zinc/31/07/72/609310772.db2.gz QNHUJDGUBOADAJ-UHFFFAOYSA-N -1 1 272.337 1.833 20 0 CDADMM Fc1cccc(CCCn2cnc(-c3nn[n-]n3)n2)c1 ZINC000826376982 609418980 /nfs/dbraw/zinc/41/89/80/609418980.db2.gz ZSJGMPMHPQBINI-UHFFFAOYSA-N -1 1 273.275 1.230 20 0 CDADMM CC(=O)N1CCC[C@@H](CN(C)C(=O)c2ncccc2[O-])C1 ZINC000965744950 613845734 /nfs/dbraw/zinc/84/57/34/613845734.db2.gz SXGYMEPGGABBAH-LBPRGKRZSA-N -1 1 291.351 1.118 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CC12CC(O)C2 ZINC000888962805 617461407 /nfs/dbraw/zinc/46/14/07/617461407.db2.gz JELHDEAIWYMVBB-KGXJWFGYSA-N -1 1 291.351 1.257 20 0 CDADMM COCc1nc(N(C)[C@H](C)c2ccccn2)cc(=O)[n-]1 ZINC000892086572 617470444 /nfs/dbraw/zinc/47/04/44/617470444.db2.gz SNBKKCGEGSPDJE-SNVBAGLBSA-N -1 1 274.324 1.921 20 0 CDADMM C[C@H]1OCC[C@@H]1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891623662 617510266 /nfs/dbraw/zinc/51/02/66/617510266.db2.gz XLAOIZNXIKSRLP-BDAKNGLRSA-N -1 1 277.324 1.425 20 0 CDADMM Cc1cccc(CC(=O)N(C)c2nn[n-]n2)c1Cl ZINC000892954834 617978302 /nfs/dbraw/zinc/97/83/02/617978302.db2.gz SEGMOEPJFWCKIJ-UHFFFAOYSA-N -1 1 265.704 1.367 20 0 CDADMM COCc1nc(N2CC[C@H](C)[C@@H](C)C2)cc(=O)[n-]1 ZINC000893056977 618108371 /nfs/dbraw/zinc/10/83/71/618108371.db2.gz SEKZROCHEQPLHE-UWVGGRQHSA-N -1 1 251.330 1.811 20 0 CDADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H]1CO ZINC000889132436 617720116 /nfs/dbraw/zinc/72/01/16/617720116.db2.gz IWTSDZNOCISKIW-LBPRGKRZSA-N -1 1 257.289 1.752 20 0 CDADMM CCOC(C)(C)CNc1cc(=O)[n-]c(COC)n1 ZINC000893370627 617720312 /nfs/dbraw/zinc/72/03/12/617720312.db2.gz QULIUQLMDHZEJE-UHFFFAOYSA-N -1 1 255.318 1.556 20 0 CDADMM CCC(=O)[C@@H]1CCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000909336739 617745820 /nfs/dbraw/zinc/74/58/20/617745820.db2.gz XMVFDBRTGMUIMQ-NSHDSACASA-N -1 1 289.335 1.643 20 0 CDADMM CCCCC[C@@H](NC(=O)CN(C)C1CCC1)C(=O)[O-] ZINC000909344958 617818467 /nfs/dbraw/zinc/81/84/67/617818467.db2.gz GGHVFDIKWCGJJZ-GFCCVEGCSA-N -1 1 270.373 1.620 20 0 CDADMM CC[S@](C)(=O)=NC(=O)c1cc(C)cc(OC)c1[O-] ZINC000925832297 617853590 /nfs/dbraw/zinc/85/35/90/617853590.db2.gz MWRWDSAKHCUNJE-SFHVURJKSA-N -1 1 271.338 1.967 20 0 CDADMM CO[C@H]1CC[C@H]1N(C)C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000889346434 617868899 /nfs/dbraw/zinc/86/88/99/617868899.db2.gz NQAYYIHTQUZKNO-MNOVXSKESA-N -1 1 293.367 1.863 20 0 CDADMM CCCn1c(C(=O)N(C)c2nn[n-]n2)cc2ccccc21 ZINC000892954629 617974099 /nfs/dbraw/zinc/97/40/99/617974099.db2.gz ODYUKSWQTUECDT-UHFFFAOYSA-N -1 1 284.323 1.841 20 0 CDADMM COCc1nc(NCc2ncoc2C)cc(=O)[n-]1 ZINC000893028142 618071301 /nfs/dbraw/zinc/07/13/01/618071301.db2.gz FMHQGTGQQJJABW-UHFFFAOYSA-N -1 1 250.258 1.237 20 0 CDADMM C[C@@H]1CCC[C@@H](CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000909400817 618083539 /nfs/dbraw/zinc/08/35/39/618083539.db2.gz 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/nfs/dbraw/zinc/46/74/92/1164467492.db2.gz WYASBBMHNCXPRL-POQQGIQPSA-N -1 1 288.347 1.302 20 0 CDADMM O=C([O-])[C@@H](CF)NC(=O)c1cccc(C(F)(F)F)c1O ZINC001608398538 1164507894 /nfs/dbraw/zinc/50/78/94/1164507894.db2.gz FVBJNJFNPAXPOS-SSDOTTSWSA-N -1 1 295.188 1.564 20 0 CDADMM O=C([O-])[C@@H]1CC(=O)N(CN2CCC3(CCC3)CC2)C1 ZINC001608596695 1164566086 /nfs/dbraw/zinc/56/60/86/1164566086.db2.gz DPPMPHDHZMPCMR-LLVKDONJSA-N -1 1 266.341 1.143 20 0 CDADMM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCN(C/C=C\Cl)CC1 ZINC001608611101 1164572476 /nfs/dbraw/zinc/57/24/76/1164572476.db2.gz NIBQPVCDKSAEGZ-UGJREKFNSA-N -1 1 286.759 1.040 20 0 CDADMM CC(C)(C)CCOC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609075444 1164757664 /nfs/dbraw/zinc/75/76/64/1164757664.db2.gz NMLOGHIPGSVHEN-UHFFFAOYSA-N -1 1 275.312 1.855 20 0 CDADMM CC(C)(C)CCOC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609075444 1164757668 /nfs/dbraw/zinc/75/76/68/1164757668.db2.gz NMLOGHIPGSVHEN-UHFFFAOYSA-N -1 1 275.312 1.855 20 0 CDADMM 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/nfs/dbraw/zinc/81/08/43/1164810843.db2.gz NPEYVLSFUCNOEW-GXSJLCMTSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@H]1CCCC[C@H]1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609165457 1164810851 /nfs/dbraw/zinc/81/08/51/1164810851.db2.gz NPEYVLSFUCNOEW-GXSJLCMTSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@@H]1CCC[C@H]1CC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001609164669 1164811118 /nfs/dbraw/zinc/81/11/18/1164811118.db2.gz VJTBGVPKPITNHP-BDAKNGLRSA-N -1 1 289.343 1.365 20 0 CDADMM C[C@@H]1CCC[C@H]1CC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001609164669 1164811123 /nfs/dbraw/zinc/81/11/23/1164811123.db2.gz VJTBGVPKPITNHP-BDAKNGLRSA-N -1 1 289.343 1.365 20 0 CDADMM C[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)C[C@H]1F ZINC001609168903 1164813394 /nfs/dbraw/zinc/81/33/94/1164813394.db2.gz QPTOHDLUEYBGQH-PSASIEDQSA-N -1 1 262.292 1.446 20 0 CDADMM C[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)C[C@H]1F ZINC001609168903 1164813400 /nfs/dbraw/zinc/81/34/00/1164813400.db2.gz QPTOHDLUEYBGQH-PSASIEDQSA-N -1 1 262.292 1.446 20 0 CDADMM C[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)o2)C[C@@H]1C(=O)[O-] ZINC001609169138 1164813517 /nfs/dbraw/zinc/81/35/17/1164813517.db2.gz UZBOQVFXSQRRMP-WPRPVWTQSA-N -1 1 291.311 1.002 20 0 CDADMM C[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)o2)C[C@@H]1C(=O)[O-] ZINC001609169138 1164813536 /nfs/dbraw/zinc/81/35/36/1164813536.db2.gz UZBOQVFXSQRRMP-WPRPVWTQSA-N -1 1 291.311 1.002 20 0 CDADMM C[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)o2)C[C@@H]1C(=O)[O-] ZINC001609169138 1164813541 /nfs/dbraw/zinc/81/35/41/1164813541.db2.gz UZBOQVFXSQRRMP-WPRPVWTQSA-N -1 1 291.311 1.002 20 0 CDADMM CC[C@@H](C)N(C)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609184509 1164827261 /nfs/dbraw/zinc/82/72/61/1164827261.db2.gz DHEYKOYALSNIHF-MRVPVSSYSA-N -1 1 260.301 1.132 20 0 CDADMM CC[C@@H](C)N(C)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609184509 1164827269 /nfs/dbraw/zinc/82/72/69/1164827269.db2.gz DHEYKOYALSNIHF-MRVPVSSYSA-N -1 1 260.301 1.132 20 0 CDADMM CCC(CC)(CNc1cncc(-c2nnn[n-]2)n1)OC ZINC001609189020 1164830178 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Cc1ccc(N[C@H](CCO)C(C)C)nc1-c1nn[n-]n1 ZINC001609426028 1164943318 /nfs/dbraw/zinc/94/33/18/1164943318.db2.gz AOBVMHHSRSRVNT-SNVBAGLBSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1cncc(C)c1 ZINC001609440763 1164948707 /nfs/dbraw/zinc/94/87/07/1164948707.db2.gz LNMMLYZRLNLHQE-UHFFFAOYSA-N -1 1 298.306 1.402 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1cncc(C)c1 ZINC001609440763 1164948711 /nfs/dbraw/zinc/94/87/11/1164948711.db2.gz LNMMLYZRLNLHQE-UHFFFAOYSA-N -1 1 298.306 1.402 20 0 CDADMM Clc1sc(NCCc2ccc[nH]2)nc1-c1nn[n-]n1 ZINC001609475017 1164967412 /nfs/dbraw/zinc/96/74/12/1164967412.db2.gz GPTDYOAKAQFSNV-UHFFFAOYSA-N -1 1 295.759 1.959 20 0 CDADMM c1cnc2ccc(Oc3cc(-c4nnn[n-]4)ncn3)cc2c1 ZINC001609619504 1165015383 /nfs/dbraw/zinc/01/53/83/1165015383.db2.gz SAOYGVWFJXLWJM-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1cnc2ccc(Oc3cc(-c4nn[n-]n4)ncn3)cc2c1 ZINC001609619504 1165015389 /nfs/dbraw/zinc/01/53/89/1165015389.db2.gz SAOYGVWFJXLWJM-UHFFFAOYSA-N -1 1 291.274 1.997 20 0 CDADMM c1sc(CS[C@H]2CCOC2)nc1-c1nn[n-]n1 ZINC001609620662 1165018044 /nfs/dbraw/zinc/01/80/44/1165018044.db2.gz SROKJTJFDKEVMV-LURJTMIESA-N -1 1 269.355 1.345 20 0 CDADMM c1sc(CS[C@H]2CCOC2)nc1-c1nnn[n-]1 ZINC001609620662 1165018040 /nfs/dbraw/zinc/01/80/40/1165018040.db2.gz SROKJTJFDKEVMV-LURJTMIESA-N -1 1 269.355 1.345 20 0 CDADMM C[C@@H]1CN(C(=O)/C=C/c2ccc[nH]2)CCN1CCC(=O)[O-] ZINC001609866394 1165120672 /nfs/dbraw/zinc/12/06/72/1165120672.db2.gz ZYRXKQBNFBNGGQ-ZYOFXKKJSA-N -1 1 291.351 1.035 20 0 CDADMM CCc1oc(CNC[C@@H](COC)OC)cc1C(=O)[O-] ZINC001610080644 1165207276 /nfs/dbraw/zinc/20/72/76/1165207276.db2.gz CJOLOOGLBBTNDC-JTQLQIEISA-N -1 1 271.313 1.291 20 0 CDADMM CC[C@](C)(NC(=O)Cc1ccc([O-])c(Cl)c1)C(N)=O ZINC000888542442 1165231670 /nfs/dbraw/zinc/23/16/70/1165231670.db2.gz SZYCLBBYVOEELB-ZDUSSCGKSA-N -1 1 284.743 1.358 20 0 CDADMM Cc1ccc2nc(NC(=O)[C@H](C)CC(=O)[O-])[nH]c2c1 ZINC001610515332 1165335542 /nfs/dbraw/zinc/33/55/42/1165335542.db2.gz IBOUBWHGJLIRLM-MRVPVSSYSA-N 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XWFRSIUGLOBMHA-UHFFFAOYSA-N -1 1 282.263 1.015 20 0 CDADMM Cc1nc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)c(C)o1 ZINC001630784140 1166232511 /nfs/dbraw/zinc/23/25/11/1166232511.db2.gz ZXDNSDHCZWLKKL-GFCCVEGCSA-N -1 1 298.306 1.324 20 0 CDADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1nccn1C ZINC001634244714 1166483607 /nfs/dbraw/zinc/48/36/07/1166483607.db2.gz HNJILVSEWDAFND-QMMMGPOBSA-N -1 1 263.272 1.756 20 0 CDADMM CCC(CC)(NC(=O)c1ccccc1C)c1nn[n-]n1 ZINC000095284791 1166618255 /nfs/dbraw/zinc/61/82/55/1166618255.db2.gz FUCYKZNOQRQCEW-UHFFFAOYSA-N -1 1 273.340 1.953 20 0 CDADMM COc1c[nH]nc1NC(=O)c1c([O-])cccc1OC ZINC001640536934 1167033953 /nfs/dbraw/zinc/03/39/53/1167033953.db2.gz PQPAJCMZRWCXAD-UHFFFAOYSA-N -1 1 263.253 1.385 20 0 CDADMM O=C(Nc1cnc2ccccn21)c1cnc(C2CC2)[n-]c1=O ZINC001640969926 1167066621 /nfs/dbraw/zinc/06/66/21/1167066621.db2.gz KNAGYJPVQCRYMX-UHFFFAOYSA-N -1 1 295.302 1.960 20 0 CDADMM CC1(C)[C@H](NC(=O)c2[n-][nH]c3cc(=O)ccc2-3)C[C@@H]1O ZINC001155273113 1167112398 /nfs/dbraw/zinc/11/23/98/1167112398.db2.gz JAYPKMHLCPUXAW-MNOVXSKESA-N -1 1 275.308 1.158 20 0 CDADMM C[Si](C)(C)CNC(=O)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155273106 1167113370 /nfs/dbraw/zinc/11/33/70/1167113370.db2.gz ISULAJFGXONUGX-UHFFFAOYSA-N -1 1 263.373 1.876 20 0 CDADMM CN(C(=O)c1cccc(Oc2ccncc2)c1)c1nn[n-]n1 ZINC001642426140 1167173315 /nfs/dbraw/zinc/17/33/15/1167173315.db2.gz AACXYYPVNRRLLT-UHFFFAOYSA-N -1 1 296.290 1.664 20 0 CDADMM CC1(C(=O)[O-])CCN(C(=O)c2cnc(C3CC3)[nH]2)CC1 ZINC001645876960 1167549170 /nfs/dbraw/zinc/54/91/70/1167549170.db2.gz WFKCEPQVHUBEHL-UHFFFAOYSA-N -1 1 277.324 1.614 20 0 CDADMM CCc1cc(OCC(=O)Nc2nnn[n-]2)ccc1Cl ZINC001649705798 1169296237 /nfs/dbraw/zinc/29/62/37/1169296237.db2.gz FKWQXYUHTQTSNN-UHFFFAOYSA-N -1 1 281.703 1.433 20 0 CDADMM CCc1cc(OCC(=O)Nc2nn[n-]n2)ccc1Cl ZINC001649705798 1169296249 /nfs/dbraw/zinc/29/62/49/1169296249.db2.gz FKWQXYUHTQTSNN-UHFFFAOYSA-N -1 1 281.703 1.433 20 0 CDADMM Cc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2cnc[nH]2)cc1 ZINC001650021312 1169619927 /nfs/dbraw/zinc/61/99/27/1169619927.db2.gz CDQFAMMISUGWPI-ZDUSSCGKSA-N -1 1 287.319 1.593 20 0 CDADMM CC(=O)OC[C@@H](C)N[C@@H](CC(C)C)c1nc(C(=O)[O-])n[nH]1 ZINC001573397263 1170656745 /nfs/dbraw/zinc/65/67/45/1170656745.db2.gz JIQGZXYLLFEWNW-SCZZXKLOSA-N -1 1 298.343 1.131 20 0 CDADMM O=C([O-])[C@@H]1CCC[C@@H]1NCc1nc(CC2CC2)no1 ZINC001574385750 1170966866 /nfs/dbraw/zinc/96/68/66/1170966866.db2.gz NEGASPBZNBJYFB-ZJUUUORDSA-N -1 1 265.313 1.365 20 0 CDADMM C[C@@H](O)CCCn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001575480608 1171182253 /nfs/dbraw/zinc/18/22/53/1171182253.db2.gz YYFSOXSESOKVBG-SNVBAGLBSA-N -1 1 299.338 1.286 20 0 CDADMM COC(=O)CC(C)(C)CC(=O)Nc1c[n-][nH]c1=O ZINC001651044537 1171281891 /nfs/dbraw/zinc/28/18/91/1171281891.db2.gz OBZIFTUZLSCNKY-UHFFFAOYSA-N -1 1 255.274 1.033 20 0 CDADMM COc1cccc2c1n[nH]c2C(=O)Nc1c[n-][nH]c1=O ZINC001651044755 1171282393 /nfs/dbraw/zinc/28/23/93/1171282393.db2.gz XHOSOWNRZQKLCU-UHFFFAOYSA-N -1 1 273.252 1.253 20 0 CDADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2o1 ZINC000072592298 1171914950 /nfs/dbraw/zinc/91/49/50/1171914950.db2.gz JYVZLJQALRKIGI-UHFFFAOYSA-N -1 1 291.288 1.317 20 0 CDADMM CN(C(=O)Cc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001578881996 1172034305 /nfs/dbraw/zinc/03/43/05/1172034305.db2.gz VOJLLLDQAJDARI-UHFFFAOYSA-N -1 1 294.318 1.467 20 0 CDADMM CN(C(=O)Cc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578881996 1172034310 /nfs/dbraw/zinc/03/43/10/1172034310.db2.gz VOJLLLDQAJDARI-UHFFFAOYSA-N -1 1 294.318 1.467 20 0 CDADMM COc1ccc(CNc2ncncc2-c2nn[n-]n2)c(C)c1 ZINC001580030401 1172326298 /nfs/dbraw/zinc/32/62/98/1172326298.db2.gz HTSQGRMBBGLLDB-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM NCc1ncc(C(=O)Nc2ccc(F)cc2[O-])s1 ZINC001580355215 1172411147 /nfs/dbraw/zinc/41/11/47/1172411147.db2.gz WAPNWPAAIUUNRO-UHFFFAOYSA-N -1 1 267.285 1.699 20 0 CDADMM Cc1ccc(C)c(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001581180818 1172593849 /nfs/dbraw/zinc/59/38/49/1172593849.db2.gz CPBFIFWXGOBMNF-UHFFFAOYSA-N -1 1 297.322 1.388 20 0 CDADMM Cc1ccc(C)c(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001581180818 1172593855 /nfs/dbraw/zinc/59/38/55/1172593855.db2.gz CPBFIFWXGOBMNF-UHFFFAOYSA-N -1 1 297.322 1.388 20 0 CDADMM O=C(Nc1n[nH]c2ccccc21)c1coc(-c2nnn[n-]2)c1 ZINC001582650812 1172686315 /nfs/dbraw/zinc/68/63/15/1172686315.db2.gz HRJWIXVSFXTYCG-UHFFFAOYSA-N -1 1 295.262 1.588 20 0 CDADMM O=C(Nc1n[nH]c2ccccc21)c1coc(-c2nn[n-]n2)c1 ZINC001582650812 1172686318 /nfs/dbraw/zinc/68/63/18/1172686318.db2.gz HRJWIXVSFXTYCG-UHFFFAOYSA-N -1 1 295.262 1.588 20 0 CDADMM Cc1onc(-c2ccccc2C)c1C(=O)N(C)c1nn[n-]n1 ZINC001587340027 1172982402 /nfs/dbraw/zinc/98/24/02/1172982402.db2.gz YAHVXBBLQRFSOS-UHFFFAOYSA-N -1 1 298.306 1.748 20 0 CDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001589213089 1173130714 /nfs/dbraw/zinc/13/07/14/1173130714.db2.gz BOMLUPWCOBDGMJ-RNFRBKRXSA-N -1 1 275.316 1.211 20 0 CDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589489794 1173149443 /nfs/dbraw/zinc/14/94/43/1173149443.db2.gz CXBNUNJTTJPIGG-YMTOWFKASA-N -1 1 286.339 1.882 20 0 CDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589489794 1173149450 /nfs/dbraw/zinc/14/94/50/1173149450.db2.gz CXBNUNJTTJPIGG-YMTOWFKASA-N -1 1 286.339 1.882 20 0 CDADMM CC(C)[C@@H]1C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001589763308 1173176327 /nfs/dbraw/zinc/17/63/27/1173176327.db2.gz BPZCZAYMBXCTGG-IUCAKERBSA-N -1 1 259.317 1.361 20 0 CDADMM CC(C)[C@@H]1C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001589763308 1173176328 /nfs/dbraw/zinc/17/63/28/1173176328.db2.gz BPZCZAYMBXCTGG-IUCAKERBSA-N -1 1 259.317 1.361 20 0 CDADMM C[C@@H](CCO)N(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001589833888 1173190953 /nfs/dbraw/zinc/19/09/53/1173190953.db2.gz HJMKKSDVUQWHGO-ZETCQYMHSA-N -1 1 282.735 1.122 20 0 CDADMM C[C@@H](CCO)N(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001589833888 1173190957 /nfs/dbraw/zinc/19/09/57/1173190957.db2.gz HJMKKSDVUQWHGO-ZETCQYMHSA-N -1 1 282.735 1.122 20 0 CDADMM C[C@H](COc1cnc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001589885616 1173196817 /nfs/dbraw/zinc/19/68/17/1173196817.db2.gz BSGYGQNTKJEDQX-SNVBAGLBSA-N -1 1 282.307 1.839 20 0 CDADMM CC(F)(F)CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589908610 1173201131 /nfs/dbraw/zinc/20/11/31/1173201131.db2.gz QHRJFXWOAQECDD-UHFFFAOYSA-N -1 1 283.242 1.038 20 0 CDADMM CC(F)(F)CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589908610 1173201133 /nfs/dbraw/zinc/20/11/33/1173201133.db2.gz QHRJFXWOAQECDD-UHFFFAOYSA-N -1 1 283.242 1.038 20 0 CDADMM CC(C)n1cc([C@H](C)Nc2cc(-c3nnn[n-]3)ncn2)cn1 ZINC001589979936 1173222896 /nfs/dbraw/zinc/22/28/96/1173222896.db2.gz COBHVBVXDXRKSA-VIFPVBQESA-N -1 1 299.342 1.607 20 0 CDADMM CC(C)n1cc([C@H](C)Nc2cc(-c3nn[n-]n3)ncn2)cn1 ZINC001589979936 1173222901 /nfs/dbraw/zinc/22/29/01/1173222901.db2.gz COBHVBVXDXRKSA-VIFPVBQESA-N -1 1 299.342 1.607 20 0 CDADMM C[C@H](OC(=O)c1coc(-c2nnn[n-]2)c1)c1csnn1 ZINC001590013664 1173234729 /nfs/dbraw/zinc/23/47/29/1173234729.db2.gz FSSAXJRHVFKCIU-YFKPBYRVSA-N -1 1 292.280 1.229 20 0 CDADMM C[C@H](OC(=O)c1coc(-c2nn[n-]n2)c1)c1csnn1 ZINC001590013664 1173234733 /nfs/dbraw/zinc/23/47/33/1173234733.db2.gz FSSAXJRHVFKCIU-YFKPBYRVSA-N -1 1 292.280 1.229 20 0 CDADMM C[C@H]1CC(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C[C@H](C)C1 ZINC001590188633 1173284185 /nfs/dbraw/zinc/28/41/85/1173284185.db2.gz RZHRJVGAQHFTSK-HTQZYQBOSA-N -1 1 289.343 1.601 20 0 CDADMM C[C@H]1CC(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C[C@H](C)C1 ZINC001590188633 1173284189 /nfs/dbraw/zinc/28/41/89/1173284189.db2.gz RZHRJVGAQHFTSK-HTQZYQBOSA-N -1 1 289.343 1.601 20 0 CDADMM C[C@@H]1C[C@H](C)N1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001590192309 1173287231 /nfs/dbraw/zinc/28/72/31/1173287231.db2.gz UXGMZSOSTCZOSN-SYDPRGILSA-N -1 1 270.749 1.964 20 0 CDADMM C[C@@H]1C[C@H](C)N1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590192309 1173287235 /nfs/dbraw/zinc/28/72/35/1173287235.db2.gz UXGMZSOSTCZOSN-SYDPRGILSA-N -1 1 270.749 1.964 20 0 CDADMM C[C@H]1CC[C@@H](OC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590241291 1173315112 /nfs/dbraw/zinc/31/51/12/1173315112.db2.gz VUACBUUMJAQHHF-GXSJLCMTSA-N -1 1 287.323 1.536 20 0 CDADMM C[C@H]1CC[C@@H](OC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590241291 1173315121 /nfs/dbraw/zinc/31/51/21/1173315121.db2.gz VUACBUUMJAQHHF-GXSJLCMTSA-N -1 1 287.323 1.536 20 0 CDADMM C[C@H]1CCC[C@H](C)N1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590243502 1173315277 /nfs/dbraw/zinc/31/52/77/1173315277.db2.gz LTEUSKVKOCGVCG-IUCAKERBSA-N -1 1 290.327 1.367 20 0 CDADMM C[C@H]1CCCC[C@H]1CC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001590251036 1173321844 /nfs/dbraw/zinc/32/18/44/1173321844.db2.gz HFBBDTHJKSHHLY-IUCAKERBSA-N -1 1 289.343 1.745 20 0 CDADMM C[C@@H]1CCCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590261851 1173329061 /nfs/dbraw/zinc/32/90/61/1173329061.db2.gz SLWKSRRTRNCCGP-SNVBAGLBSA-N -1 1 286.339 1.524 20 0 CDADMM C[C@@H]1CCCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590261851 1173329065 /nfs/dbraw/zinc/32/90/65/1173329065.db2.gz SLWKSRRTRNCCGP-SNVBAGLBSA-N -1 1 286.339 1.524 20 0 CDADMM CC[C@](C)(CNc1cc(C)cc(-c2nnn[n-]2)n1)OC ZINC001590381070 1173383640 /nfs/dbraw/zinc/38/36/40/1173383640.db2.gz HVUSPTVTZNTXGU-CYBMUJFWSA-N -1 1 276.344 1.797 20 0 CDADMM CC[C@](C)(CNc1cc(C)cc(-c2nn[n-]n2)n1)OC ZINC001590381070 1173383645 /nfs/dbraw/zinc/38/36/45/1173383645.db2.gz HVUSPTVTZNTXGU-CYBMUJFWSA-N -1 1 276.344 1.797 20 0 CDADMM CC[C@H](F)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001590455531 1173415985 /nfs/dbraw/zinc/41/59/85/1173415985.db2.gz BDKMFHYXOFVISA-QMMMGPOBSA-N -1 1 265.248 1.053 20 0 CDADMM CC[C@H](F)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001590455531 1173415991 /nfs/dbraw/zinc/41/59/91/1173415991.db2.gz BDKMFHYXOFVISA-QMMMGPOBSA-N -1 1 265.248 1.053 20 0 CDADMM CC[C@@H](OC(=O)c1cccc(F)c1-c1nnn[n-]1)C(C)=O ZINC001590477261 1173429361 /nfs/dbraw/zinc/42/93/61/1173429361.db2.gz HBOADIPRWITNAW-SNVBAGLBSA-N -1 1 292.270 1.530 20 0 CDADMM CC[C@@H](OC(=O)c1cccc(F)c1-c1nn[n-]n1)C(C)=O ZINC001590477261 1173429364 /nfs/dbraw/zinc/42/93/64/1173429364.db2.gz HBOADIPRWITNAW-SNVBAGLBSA-N -1 1 292.270 1.530 20 0 CDADMM CC[C@@H]1CN(c2cccnc2-c2nnn[n-]2)CCCO1 ZINC001590520838 1173449000 /nfs/dbraw/zinc/44/90/00/1173449000.db2.gz JQABBDMXYUJRES-SNVBAGLBSA-N -1 1 274.328 1.267 20 0 CDADMM CC[C@@H]1CN(c2cccnc2-c2nn[n-]n2)CCCO1 ZINC001590520838 1173449008 /nfs/dbraw/zinc/44/90/08/1173449008.db2.gz JQABBDMXYUJRES-SNVBAGLBSA-N -1 1 274.328 1.267 20 0 CDADMM CC/C=C/CCn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC001590533128 1173454312 /nfs/dbraw/zinc/45/43/12/1173454312.db2.gz KRKDUKOMHXKTAB-AATRIKPKSA-N -1 1 274.328 1.397 20 0 CDADMM CCC[C@@H](C)CCCn1c(=O)[nH]cc(-c2nn[n-]n2)c1=O ZINC001590549278 1173457263 /nfs/dbraw/zinc/45/72/63/1173457263.db2.gz CZIREMQRJCLVJZ-SECBINFHSA-N -1 1 292.343 1.345 20 0 CDADMM CCCc1nnc(NCc2csc(-c3nn[n-]n3)c2)o1 ZINC001590660759 1173485047 /nfs/dbraw/zinc/48/50/47/1173485047.db2.gz NWFDQFXYJXOFKT-UHFFFAOYSA-N -1 1 291.340 1.876 20 0 CDADMM CCN(C(=O)c1cccc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001590675764 1173487249 /nfs/dbraw/zinc/48/72/49/1173487249.db2.gz ZQVBYTFHIJAFHQ-UHFFFAOYSA-N -1 1 286.339 1.666 20 0 CDADMM CCN(C(=O)c1cccc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001590675764 1173487252 /nfs/dbraw/zinc/48/72/52/1173487252.db2.gz ZQVBYTFHIJAFHQ-UHFFFAOYSA-N -1 1 286.339 1.666 20 0 CDADMM CCN(CCSC)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590715103 1173494579 /nfs/dbraw/zinc/49/45/79/1173494579.db2.gz IKZBXTRFHFPBRM-UHFFFAOYSA-N -1 1 292.368 1.087 20 0 CDADMM CCN(CCSC)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590715103 1173494585 /nfs/dbraw/zinc/49/45/85/1173494585.db2.gz IKZBXTRFHFPBRM-UHFFFAOYSA-N -1 1 292.368 1.087 20 0 CDADMM CCN(Cc1cnn(C)c1)c1ccnc(-c2nnn[n-]2)c1 ZINC001590721635 1173500365 /nfs/dbraw/zinc/50/03/65/1173500365.db2.gz SNDRYMTVUHMPBV-UHFFFAOYSA-N -1 1 284.327 1.022 20 0 CDADMM CCN(Cc1cnn(C)c1)c1ccnc(-c2nn[n-]n2)c1 ZINC001590721635 1173500369 /nfs/dbraw/zinc/50/03/69/1173500369.db2.gz SNDRYMTVUHMPBV-UHFFFAOYSA-N -1 1 284.327 1.022 20 0 CDADMM CCOC[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001590817376 1173519428 /nfs/dbraw/zinc/51/94/28/1173519428.db2.gz SNXKIMASHBHSHA-YFKPBYRVSA-N -1 1 288.764 1.814 20 0 CDADMM CCOCCSc1cccnc1-c1nnn[n-]1 ZINC001590814917 1173520155 /nfs/dbraw/zinc/52/01/55/1173520155.db2.gz FYPPJLYAQWAKIL-UHFFFAOYSA-N -1 1 251.315 1.390 20 0 CDADMM CCOCCSc1cccnc1-c1nn[n-]n1 ZINC001590814917 1173520160 /nfs/dbraw/zinc/52/01/60/1173520160.db2.gz FYPPJLYAQWAKIL-UHFFFAOYSA-N -1 1 251.315 1.390 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](CC)[C@H]2C)n1 ZINC001590905602 1173539927 /nfs/dbraw/zinc/53/99/27/1173539927.db2.gz FFUKIJRJUCGRHF-NXEZZACHSA-N -1 1 287.371 1.844 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](CC)[C@H]2C)n1 ZINC001590905602 1173539933 /nfs/dbraw/zinc/53/99/33/1173539933.db2.gz FFUKIJRJUCGRHF-NXEZZACHSA-N -1 1 287.371 1.844 20 0 CDADMM CCc1nc(NCCCSC)cc(-c2nnn[n-]2)n1 ZINC001590919883 1173543850 /nfs/dbraw/zinc/54/38/50/1173543850.db2.gz ZOSLITAYABGTQT-UHFFFAOYSA-N -1 1 279.373 1.384 20 0 CDADMM CCc1nc(NCCCSC)cc(-c2nn[n-]n2)n1 ZINC001590919883 1173543851 /nfs/dbraw/zinc/54/38/51/1173543851.db2.gz ZOSLITAYABGTQT-UHFFFAOYSA-N -1 1 279.373 1.384 20 0 CDADMM CN(C)c1ccccc1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001591034638 1173562967 /nfs/dbraw/zinc/56/29/67/1173562967.db2.gz DLLBHGNULCSFHD-UHFFFAOYSA-N -1 1 296.338 1.335 20 0 CDADMM CN(C)c1ccccc1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001591034638 1173562969 /nfs/dbraw/zinc/56/29/69/1173562969.db2.gz DLLBHGNULCSFHD-UHFFFAOYSA-N -1 1 296.338 1.335 20 0 CDADMM CN(Cc1ccc(O)cc1)c1cccnc1-c1nnn[n-]1 ZINC001591141419 1173576967 /nfs/dbraw/zinc/57/69/67/1173576967.db2.gz NXFFSCLIRKQROY-UHFFFAOYSA-N -1 1 282.307 1.604 20 0 CDADMM CN(Cc1ccc(O)cc1)c1cccnc1-c1nn[n-]n1 ZINC001591141419 1173576974 /nfs/dbraw/zinc/57/69/74/1173576974.db2.gz NXFFSCLIRKQROY-UHFFFAOYSA-N -1 1 282.307 1.604 20 0 CDADMM CN(Cc1ccc(-c2nn[n-]n2)s1)c1cnn(C)c1 ZINC001591140585 1173578226 /nfs/dbraw/zinc/57/82/26/1173578226.db2.gz PECRLTQSYCBZBR-UHFFFAOYSA-N -1 1 275.341 1.298 20 0 CDADMM CO[C@H]1CCC[C@H]1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591359074 1173628313 /nfs/dbraw/zinc/62/83/13/1173628313.db2.gz AJWDWAZWUBFXGT-SCZZXKLOSA-N -1 1 288.311 1.015 20 0 CDADMM CO[C@H]1CCC[C@H]1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591359074 1173628317 /nfs/dbraw/zinc/62/83/17/1173628317.db2.gz AJWDWAZWUBFXGT-SCZZXKLOSA-N -1 1 288.311 1.015 20 0 CDADMM COc1ccc([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001591575815 1173672024 /nfs/dbraw/zinc/67/20/24/1173672024.db2.gz DGTBZKKXHKXKAX-SECBINFHSA-N -1 1 297.322 1.260 20 0 CDADMM C[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001591730202 1173691806 /nfs/dbraw/zinc/69/18/06/1173691806.db2.gz YULZAXGJAAQPNJ-SCSAIBSYSA-N -1 1 275.190 1.140 20 0 CDADMM C[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001591730202 1173691812 /nfs/dbraw/zinc/69/18/12/1173691812.db2.gz YULZAXGJAAQPNJ-SCSAIBSYSA-N -1 1 275.190 1.140 20 0 CDADMM Cc1c(Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)cnn1C ZINC001591828586 1173711603 /nfs/dbraw/zinc/71/16/03/1173711603.db2.gz ORQSGIFGVHDGPK-UHFFFAOYSA-N -1 1 297.326 1.320 20 0 CDADMM Cc1c(Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)cnn1C ZINC001591828586 1173711608 /nfs/dbraw/zinc/71/16/08/1173711608.db2.gz ORQSGIFGVHDGPK-UHFFFAOYSA-N -1 1 297.326 1.320 20 0 CDADMM Cc1cc(CNc2n[nH]c(C)c2-c2nnn[n-]2)cs1 ZINC001591969834 1173762519 /nfs/dbraw/zinc/76/25/19/1173762519.db2.gz POAYJTPBSNLGAI-UHFFFAOYSA-N -1 1 275.341 1.880 20 0 CDADMM Cc1cc(CNc2n[nH]c(C)c2-c2nn[n-]n2)cs1 ZINC001591969834 1173762526 /nfs/dbraw/zinc/76/25/26/1173762526.db2.gz POAYJTPBSNLGAI-UHFFFAOYSA-N -1 1 275.341 1.880 20 0 CDADMM Cc1cc(N2CCC(F)(F)C2)cc(-c2nnn[n-]2)n1 ZINC001592001925 1173770080 /nfs/dbraw/zinc/77/00/80/1173770080.db2.gz RDDMDXLFBABUIN-UHFFFAOYSA-N -1 1 266.255 1.416 20 0 CDADMM Cc1cc(N2CCC(F)(F)C2)cc(-c2nn[n-]n2)n1 ZINC001592001925 1173770084 /nfs/dbraw/zinc/77/00/84/1173770084.db2.gz RDDMDXLFBABUIN-UHFFFAOYSA-N -1 1 266.255 1.416 20 0 CDADMM Cc1cc(NC[C@]2(C)CCOC2)nc(-c2nnn[n-]2)c1 ZINC001592042555 1173783236 /nfs/dbraw/zinc/78/32/36/1173783236.db2.gz JEGZMUPSXKAVQU-ZDUSSCGKSA-N -1 1 274.328 1.409 20 0 CDADMM Cc1cc(NC[C@]2(C)CCOC2)nc(-c2nn[n-]n2)c1 ZINC001592042555 1173783241 /nfs/dbraw/zinc/78/32/41/1173783241.db2.gz JEGZMUPSXKAVQU-ZDUSSCGKSA-N -1 1 274.328 1.409 20 0 CDADMM Cc1cc(N[C@@H](CO)CC(C)C)nc(-c2nnn[n-]2)c1 ZINC001592054531 1173790134 /nfs/dbraw/zinc/79/01/34/1173790134.db2.gz FEVDGJHRLDWGHI-SNVBAGLBSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1cc(N[C@@H](CO)CC(C)C)nc(-c2nn[n-]n2)c1 ZINC001592054531 1173790140 /nfs/dbraw/zinc/79/01/40/1173790140.db2.gz FEVDGJHRLDWGHI-SNVBAGLBSA-N -1 1 276.344 1.389 20 0 CDADMM Cc1ccc(CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001592167381 1173821218 /nfs/dbraw/zinc/82/12/18/1173821218.db2.gz IIZNLYWPCZGJAZ-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1ccc(CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001592167381 1173821223 /nfs/dbraw/zinc/82/12/23/1173821223.db2.gz IIZNLYWPCZGJAZ-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1ccc(N2CCC[C@@H]2C[C@@H](C)O)c(-c2nnn[n-]2)n1 ZINC001592176794 1173824474 /nfs/dbraw/zinc/82/44/74/1173824474.db2.gz OHFNUEOKQKUQTP-GHMZBOCLSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1ccc(N2CCC[C@@H]2C[C@@H](C)O)c(-c2nn[n-]n2)n1 ZINC001592176794 1173824479 /nfs/dbraw/zinc/82/44/79/1173824479.db2.gz OHFNUEOKQKUQTP-GHMZBOCLSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1ccc(N[C@@H]2CCC[C@H]2CCO)nc1-c1nnn[n-]1 ZINC001592184314 1173828146 /nfs/dbraw/zinc/82/81/46/1173828146.db2.gz RBKNVOCFTBQDBR-WDEREUQCSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(N[C@@H]2CCC[C@H]2CCO)nc1-c1nn[n-]n1 ZINC001592184314 1173828153 /nfs/dbraw/zinc/82/81/53/1173828153.db2.gz RBKNVOCFTBQDBR-WDEREUQCSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(NC2CCOCC2)c(-c2nnn[n-]2)n1 ZINC001592183276 1173828940 /nfs/dbraw/zinc/82/89/40/1173828940.db2.gz CHCHBLXRYODHMI-UHFFFAOYSA-N -1 1 260.301 1.161 20 0 CDADMM Cc1ccc(NC2CCOCC2)c(-c2nn[n-]n2)n1 ZINC001592183276 1173828944 /nfs/dbraw/zinc/82/89/44/1173828944.db2.gz CHCHBLXRYODHMI-UHFFFAOYSA-N -1 1 260.301 1.161 20 0 CDADMM Cc1nnc(CNc2ccc(C)nc2-c2nnn[n-]2)s1 ZINC001592185221 1173830908 /nfs/dbraw/zinc/83/09/08/1173830908.db2.gz OMFLZDKQNRAVJG-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Cc1nnc(CNc2ccc(C)nc2-c2nn[n-]n2)s1 ZINC001592185221 1173830910 /nfs/dbraw/zinc/83/09/10/1173830910.db2.gz OMFLZDKQNRAVJG-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Cc1ccncc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001592279121 1173843510 /nfs/dbraw/zinc/84/35/10/1173843510.db2.gz INKJOTMVNXYMKQ-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM Cc1c[nH]c(Nc2nc(-c3nn[n-]n3)c(Cl)s2)n1 ZINC001592294100 1173849553 /nfs/dbraw/zinc/84/95/53/1173849553.db2.gz XARUZEXGVNLTNA-UHFFFAOYSA-N -1 1 282.720 1.752 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2C[C@@H](C)CC[C@H]2C)n1 ZINC001592337880 1173859741 /nfs/dbraw/zinc/85/97/41/1173859741.db2.gz QKHZKVGLCCLJFD-DTWKUNHWSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2C[C@@H](C)CC[C@H]2C)n1 ZINC001592337880 1173859746 /nfs/dbraw/zinc/85/97/46/1173859746.db2.gz QKHZKVGLCCLJFD-DTWKUNHWSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1ccc(CCNc2cc(-c3nnn[n-]3)nc(C)n2)o1 ZINC001592391954 1173878743 /nfs/dbraw/zinc/87/87/43/1173878743.db2.gz XSPVFRFPOKSLQM-UHFFFAOYSA-N -1 1 285.311 1.521 20 0 CDADMM Cc1ccc(CCNc2cc(-c3nn[n-]n3)nc(C)n2)o1 ZINC001592391954 1173878751 /nfs/dbraw/zinc/87/87/51/1173878751.db2.gz XSPVFRFPOKSLQM-UHFFFAOYSA-N -1 1 285.311 1.521 20 0 CDADMM Cc1nc(N[C@@H]2C[C@@H]3CCCC[C@H]23)cc(-c2nnn[n-]2)n1 ZINC001592393746 1173879192 /nfs/dbraw/zinc/87/91/92/1173879192.db2.gz BPCPZBNYEPELRK-GARJFASQSA-N -1 1 285.355 1.956 20 0 CDADMM Cc1nc(N[C@@H]2C[C@@H]3CCCC[C@H]23)cc(-c2nn[n-]n2)n1 ZINC001592393746 1173879197 /nfs/dbraw/zinc/87/91/97/1173879197.db2.gz BPCPZBNYEPELRK-GARJFASQSA-N -1 1 285.355 1.956 20 0 CDADMM Cc1nnc(COc2cccnc2-c2nnn[n-]2)s1 ZINC001592443633 1173890670 /nfs/dbraw/zinc/89/06/70/1173890670.db2.gz LBZMVVVZTAYHIW-UHFFFAOYSA-N -1 1 275.297 1.001 20 0 CDADMM Cc1nnc(COc2cccnc2-c2nn[n-]n2)s1 ZINC001592443633 1173890674 /nfs/dbraw/zinc/89/06/74/1173890674.db2.gz LBZMVVVZTAYHIW-UHFFFAOYSA-N -1 1 275.297 1.001 20 0 CDADMM Cc1nnc(Sc2ncco2)c(-c2nn[n-]n2)c1C ZINC001592450766 1173894151 /nfs/dbraw/zinc/89/41/51/1173894151.db2.gz XKPAXFRJBUKBBF-UHFFFAOYSA-N -1 1 275.297 1.413 20 0 CDADMM FC1(F)CCC[C@H]1CCn1cnc(-c2nn[n-]n2)n1 ZINC001592628181 1173934919 /nfs/dbraw/zinc/93/49/19/1173934919.db2.gz OETSFFDDQBWHPU-ZETCQYMHSA-N -1 1 269.259 1.284 20 0 CDADMM FC1(F)CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001592631714 1173941480 /nfs/dbraw/zinc/94/14/80/1173941480.db2.gz WAMZKHZSCLSSLK-UHFFFAOYSA-N -1 1 278.675 1.432 20 0 CDADMM FCC1(CF)CC(n2ccnc2-c2nnn[n-]2)C1 ZINC001592632053 1173941554 /nfs/dbraw/zinc/94/15/54/1173941554.db2.gz OFHDPRKQKPYVMO-UHFFFAOYSA-N -1 1 254.244 1.324 20 0 CDADMM FCC1(CF)CC(n2ccnc2-c2nn[n-]n2)C1 ZINC001592632053 1173941558 /nfs/dbraw/zinc/94/15/58/1173941558.db2.gz OFHDPRKQKPYVMO-UHFFFAOYSA-N -1 1 254.244 1.324 20 0 CDADMM Fc1ccc2c(c1)CCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001592655456 1173955038 /nfs/dbraw/zinc/95/50/38/1173955038.db2.gz TYCQVWINLBTLPF-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM Fc1cccnc1CNc1cccnc1-c1nnn[n-]1 ZINC001592661179 1173956894 /nfs/dbraw/zinc/95/68/94/1173956894.db2.gz ONIMFJIQZPLUOX-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM Fc1cccnc1CNc1cccnc1-c1nn[n-]n1 ZINC001592661179 1173956897 /nfs/dbraw/zinc/95/68/97/1173956897.db2.gz ONIMFJIQZPLUOX-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1csc(Cl)c1 ZINC001592753159 1173986122 /nfs/dbraw/zinc/98/61/22/1173986122.db2.gz PTBHOEDRPFTPJK-UHFFFAOYSA-N -1 1 295.715 1.049 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCCC1CCC1 ZINC001592914431 1174002105 /nfs/dbraw/zinc/00/21/05/1174002105.db2.gz BPADGNYFNSNZFX-UHFFFAOYSA-N -1 1 287.323 1.538 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCCC1CCC1 ZINC001592914431 1174002111 /nfs/dbraw/zinc/00/21/11/1174002111.db2.gz BPADGNYFNSNZFX-UHFFFAOYSA-N -1 1 287.323 1.538 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1ccccc1 ZINC001592915670 1174002757 /nfs/dbraw/zinc/00/27/57/1174002757.db2.gz PPMKVJOTAXRXGV-UHFFFAOYSA-N -1 1 280.291 1.443 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1ccccc1 ZINC001592915670 1174002765 /nfs/dbraw/zinc/00/27/65/1174002765.db2.gz PPMKVJOTAXRXGV-UHFFFAOYSA-N -1 1 280.291 1.443 20 0 CDADMM O=C(N[C@]12C[C@H]1CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001592963270 1174006622 /nfs/dbraw/zinc/00/66/22/1174006622.db2.gz YLUKNSHSXWDHQF-QMTHXVAHSA-N -1 1 284.323 1.324 20 0 CDADMM O=C(N[C@]12C[C@H]1CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001592963270 1174006626 /nfs/dbraw/zinc/00/66/26/1174006626.db2.gz YLUKNSHSXWDHQF-QMTHXVAHSA-N -1 1 284.323 1.324 20 0 CDADMM O=C(NCC1CCC=CCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593033312 1174014724 /nfs/dbraw/zinc/01/47/24/1174014724.db2.gz IBKPIECUWUFVQP-UHFFFAOYSA-N -1 1 298.350 1.738 20 0 CDADMM O=C(NCC1CCC=CCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593033312 1174014730 /nfs/dbraw/zinc/01/47/30/1174014730.db2.gz IBKPIECUWUFVQP-UHFFFAOYSA-N -1 1 298.350 1.738 20 0 CDADMM O=C(NCC1CSC1)c1ccc(-c2nnn[n-]2)s1 ZINC001593048091 1174017922 /nfs/dbraw/zinc/01/79/22/1174017922.db2.gz YKWNXXUHTZMVOP-UHFFFAOYSA-N -1 1 281.366 1.021 20 0 CDADMM O=C(NCC1CSC1)c1ccc(-c2nn[n-]n2)s1 ZINC001593048091 1174017925 /nfs/dbraw/zinc/01/79/25/1174017925.db2.gz YKWNXXUHTZMVOP-UHFFFAOYSA-N -1 1 281.366 1.021 20 0 CDADMM O=C(NC[C@]12C[C@H]1CCC2)c1coc(-c2nnn[n-]2)c1 ZINC001593114319 1174023407 /nfs/dbraw/zinc/02/34/07/1174023407.db2.gz JOYCCGVNKROLCY-RNCFNFMXSA-N -1 1 273.296 1.380 20 0 CDADMM O=C(NC[C@]12C[C@H]1CCC2)c1coc(-c2nn[n-]n2)c1 ZINC001593114319 1174023409 /nfs/dbraw/zinc/02/34/09/1174023409.db2.gz JOYCCGVNKROLCY-RNCFNFMXSA-N -1 1 273.296 1.380 20 0 CDADMM O=C(N[C@@H]1CCCC[C@@H]1F)c1coc(-c2nnn[n-]2)c1 ZINC001593174060 1174029502 /nfs/dbraw/zinc/02/95/02/1174029502.db2.gz WHQUOUMBKHGBEW-DTWKUNHWSA-N -1 1 279.275 1.470 20 0 CDADMM O=C(N[C@@H]1CCCC[C@@H]1F)c1coc(-c2nn[n-]n2)c1 ZINC001593174060 1174029510 /nfs/dbraw/zinc/02/95/10/1174029510.db2.gz WHQUOUMBKHGBEW-DTWKUNHWSA-N -1 1 279.275 1.470 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@H]1CC12CCC2 ZINC001593244246 1174040739 /nfs/dbraw/zinc/04/07/39/1174040739.db2.gz VPOSQGOREPRTDH-MRVPVSSYSA-N -1 1 270.296 1.390 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@H]1CC12CCC2 ZINC001593244246 1174040745 /nfs/dbraw/zinc/04/07/45/1174040745.db2.gz VPOSQGOREPRTDH-MRVPVSSYSA-N -1 1 270.296 1.390 20 0 CDADMM O=C(Nc1cccc(F)c1)c1cccc(-c2nnn[n-]2)n1 ZINC001593249489 1174041451 /nfs/dbraw/zinc/04/14/51/1174041451.db2.gz JQRFTUJMVFSHDH-UHFFFAOYSA-N -1 1 284.254 1.653 20 0 CDADMM O=C(Nc1cccc(F)c1)c1cccc(-c2nn[n-]n2)n1 ZINC001593249489 1174041456 /nfs/dbraw/zinc/04/14/56/1174041456.db2.gz JQRFTUJMVFSHDH-UHFFFAOYSA-N -1 1 284.254 1.653 20 0 CDADMM O=C(Nc1nccc(C2CC2)n1)c1ccc(-c2nn[n-]n2)o1 ZINC001593269057 1174046187 /nfs/dbraw/zinc/04/61/87/1174046187.db2.gz XAZMZAHIHUFBQD-UHFFFAOYSA-N -1 1 297.278 1.379 20 0 CDADMM O=C(OC1CC2(CC2)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001593280826 1174050030 /nfs/dbraw/zinc/05/00/30/1174050030.db2.gz ANPWCRKTGAXTOL-UHFFFAOYSA-N -1 1 260.253 1.559 20 0 CDADMM O=C(Oc1cccc(F)c1-c1nnn[n-]1)O[C@H]1CCOC1 ZINC001593309463 1174062204 /nfs/dbraw/zinc/06/22/04/1174062204.db2.gz HJFDMKGEOLTMPA-ZETCQYMHSA-N -1 1 294.242 1.310 20 0 CDADMM O=C(Oc1cccc(F)c1-c1nn[n-]n1)O[C@H]1CCOC1 ZINC001593309463 1174062207 /nfs/dbraw/zinc/06/22/07/1174062207.db2.gz HJFDMKGEOLTMPA-ZETCQYMHSA-N -1 1 294.242 1.310 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC=C(Cl)C1 ZINC001593338011 1174064723 /nfs/dbraw/zinc/06/47/23/1174064723.db2.gz FESJSIXLMQBDKV-UHFFFAOYSA-N -1 1 295.755 1.897 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC=C(Cl)C1 ZINC001593338011 1174064729 /nfs/dbraw/zinc/06/47/29/1174064729.db2.gz FESJSIXLMQBDKV-UHFFFAOYSA-N -1 1 295.755 1.897 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1Cc2ccncc2C1 ZINC001593339817 1174067880 /nfs/dbraw/zinc/06/78/80/1174067880.db2.gz YYFSGHNPOACQPY-UHFFFAOYSA-N -1 1 282.263 1.011 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1Cc2ccncc2C1 ZINC001593339817 1174067882 /nfs/dbraw/zinc/06/78/82/1174067882.db2.gz YYFSGHNPOACQPY-UHFFFAOYSA-N -1 1 282.263 1.011 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1C[C@H]1CCC2(CCC2)O1 ZINC001593494522 1174087094 /nfs/dbraw/zinc/08/70/94/1174087094.db2.gz TYMSULFIYYBXCR-LLVKDONJSA-N -1 1 287.323 1.130 20 0 CDADMM O=c1c(-c2nn[n-]n2)cncn1CC1CCCCC1 ZINC001593495207 1174087437 /nfs/dbraw/zinc/08/74/37/1174087437.db2.gz YNLIXFFRDIZGPK-UHFFFAOYSA-N -1 1 260.301 1.004 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1cccc(F)c1F ZINC001593494738 1174088828 /nfs/dbraw/zinc/08/88/28/1174088828.db2.gz VIBGZOJGDHMAHQ-UHFFFAOYSA-N -1 1 289.245 1.355 20 0 CDADMM OC[C@H](CC1CCCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593520694 1174098625 /nfs/dbraw/zinc/09/86/25/1174098625.db2.gz GSXXSTGKPASLBY-NSHDSACASA-N -1 1 288.355 1.615 20 0 CDADMM OC[C@H](CC1CCCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593520694 1174098629 /nfs/dbraw/zinc/09/86/29/1174098629.db2.gz GSXXSTGKPASLBY-NSHDSACASA-N -1 1 288.355 1.615 20 0 CDADMM Oc1cccc2c1C[C@H](Nc1cccc(-c3nnn[n-]3)n1)C2 ZINC001593540386 1174112829 /nfs/dbraw/zinc/11/28/29/1174112829.db2.gz TWSZPJSLXGTGEQ-SNVBAGLBSA-N -1 1 294.318 1.547 20 0 CDADMM Oc1cccc2c1C[C@H](Nc1cccc(-c3nn[n-]n3)n1)C2 ZINC001593540386 1174112832 /nfs/dbraw/zinc/11/28/32/1174112832.db2.gz TWSZPJSLXGTGEQ-SNVBAGLBSA-N -1 1 294.318 1.547 20 0 CDADMM c1c(-c2nnn[n-]2)nc(C2CC2)nc1N1CCCCCC1 ZINC001593543412 1174113151 /nfs/dbraw/zinc/11/31/51/1174113151.db2.gz NIIXSNSKSQAVOZ-UHFFFAOYSA-N -1 1 285.355 1.915 20 0 CDADMM c1c(-c2nn[n-]n2)nc(C2CC2)nc1N1CCCCCC1 ZINC001593543412 1174113158 /nfs/dbraw/zinc/11/31/58/1174113158.db2.gz NIIXSNSKSQAVOZ-UHFFFAOYSA-N -1 1 285.355 1.915 20 0 CDADMM c1cc(Sc2ccnc(-c3nnn[n-]3)c2)ccn1 ZINC001593562502 1174138226 /nfs/dbraw/zinc/13/82/26/1174138226.db2.gz MHTNLAUXYUZIIS-UHFFFAOYSA-N -1 1 256.294 1.808 20 0 CDADMM c1cc(Sc2ccnc(-c3nn[n-]n3)c2)ccn1 ZINC001593562502 1174138229 /nfs/dbraw/zinc/13/82/29/1174138229.db2.gz MHTNLAUXYUZIIS-UHFFFAOYSA-N -1 1 256.294 1.808 20 0 CDADMM c1ccc(C[C@H]2C[C@@H]2Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001593572093 1174142173 /nfs/dbraw/zinc/14/21/73/1174142173.db2.gz PBZPCDYLXYVVPP-RYUDHWBXSA-N -1 1 293.334 1.700 20 0 CDADMM c1ccc(C[C@H]2C[C@@H]2Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001593572093 1174142174 /nfs/dbraw/zinc/14/21/74/1174142174.db2.gz PBZPCDYLXYVVPP-RYUDHWBXSA-N -1 1 293.334 1.700 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC001593583056 1174149969 /nfs/dbraw/zinc/14/99/69/1174149969.db2.gz LUAQUOSSFNQLTH-VGMNWLOBSA-N -1 1 257.301 1.257 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC001593583056 1174149972 /nfs/dbraw/zinc/14/99/72/1174149972.db2.gz LUAQUOSSFNQLTH-VGMNWLOBSA-N -1 1 257.301 1.257 20 0 CDADMM c1nc(NCc2noc3c2CCCC3)cc(-c2nnn[n-]2)n1 ZINC001593590659 1174156682 /nfs/dbraw/zinc/15/66/82/1174156682.db2.gz BHHTURLSXCJZJD-UHFFFAOYSA-N -1 1 298.310 1.136 20 0 CDADMM c1nc(NCc2noc3c2CCCC3)cc(-c2nn[n-]n2)n1 ZINC001593590659 1174156685 /nfs/dbraw/zinc/15/66/85/1174156685.db2.gz BHHTURLSXCJZJD-UHFFFAOYSA-N -1 1 298.310 1.136 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2CCCC[C@@H]2C2CCC2)n1 ZINC001593590163 1174157550 /nfs/dbraw/zinc/15/75/50/1174157550.db2.gz IPLPAIPKUIALDV-GFCCVEGCSA-N -1 1 285.355 1.816 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2CCCC[C@@H]2C2CCC2)n1 ZINC001593590163 1174157554 /nfs/dbraw/zinc/15/75/54/1174157554.db2.gz IPLPAIPKUIALDV-GFCCVEGCSA-N -1 1 285.355 1.816 20 0 CDADMM Cc1cc(C(=O)N2CCc3ccc(C(=O)[O-])nc3C2)n[nH]1 ZINC001600085425 1174356078 /nfs/dbraw/zinc/35/60/78/1174356078.db2.gz PFSLCQKNTORELR-UHFFFAOYSA-N -1 1 286.291 1.010 20 0 CDADMM Cc1cnccc1CCN1CC[C@](F)(C(=O)[O-])C1 ZINC001600629712 1174540728 /nfs/dbraw/zinc/54/07/28/1174540728.db2.gz AQTDQZDRPNCYRL-CYBMUJFWSA-N -1 1 252.289 1.431 20 0 CDADMM Cc1coc(CC(=O)[O-])c1C(=O)N1CCN2CCC1CC2 ZINC001600639577 1174546271 /nfs/dbraw/zinc/54/62/71/1174546271.db2.gz KBNNEJKUBVMUQA-UHFFFAOYSA-N -1 1 292.335 1.135 20 0 CDADMM Cc1nc2cccc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])[C@@H]4C[C@@H]43)c2[nH]1 ZINC001600721431 1174579492 /nfs/dbraw/zinc/57/94/92/1174579492.db2.gz XWLXYAIDPGCNOB-XZUYRWCXSA-N -1 1 299.330 1.710 20 0 CDADMM Cc1nnsc1CNCc1c[nH]c(C(=O)[O-])c1 ZINC001600802682 1174618096 /nfs/dbraw/zinc/61/80/96/1174618096.db2.gz INZPHOSSRGGXCP-UHFFFAOYSA-N -1 1 252.299 1.163 20 0 CDADMM Cn1cc(Cl)c(CN[C@H]2CC=C(C(=O)[O-])C2)n1 ZINC001600956291 1174680074 /nfs/dbraw/zinc/68/00/74/1174680074.db2.gz BYGGFJIQVNBNPH-QMMMGPOBSA-N -1 1 255.705 1.337 20 0 CDADMM Nc1ccnc2c1CN(Cc1nc(C(=O)[O-])cs1)CC2 ZINC001601217900 1174795689 /nfs/dbraw/zinc/79/56/89/1174795689.db2.gz BMKAPKBIMKBLIY-UHFFFAOYSA-N -1 1 290.348 1.377 20 0 CDADMM O=C([O-])c1n[nH]c2ccc(NC(=O)CN3CCCC3)cc21 ZINC001601312225 1174831200 /nfs/dbraw/zinc/83/12/00/1174831200.db2.gz FRUKZDAYQOEAFJ-UHFFFAOYSA-N -1 1 288.307 1.295 20 0 CDADMM O=C([O-])c1sccc1C(=O)NCc1cnc[nH]1 ZINC001601530545 1174893721 /nfs/dbraw/zinc/89/37/21/1174893721.db2.gz CYUGIZCPTNUBJQ-UHFFFAOYSA-N -1 1 251.267 1.099 20 0 CDADMM O=C([O-])c1cc(NC(=O)Nc2c[nH]nn2)ccc1F ZINC001601604475 1174913323 /nfs/dbraw/zinc/91/33/23/1174913323.db2.gz WLYRFCIFRDSEMW-UHFFFAOYSA-N -1 1 265.204 1.286 20 0 CDADMM O=C([O-])[C@H]1[C@@H](CNc2cnn(-c3ccncc3)c2)C1(F)F ZINC001601754390 1174987498 /nfs/dbraw/zinc/98/74/98/1174987498.db2.gz UJHVQCGMPLHYIK-GHMZBOCLSA-N -1 1 294.261 1.645 20 0 CDADMM O=C([O-])c1cc(CN2CC3(C2)CCOCC3)c[nH]1 ZINC001602256233 1175183446 /nfs/dbraw/zinc/18/34/46/1175183446.db2.gz GPMGSIWTWYWXJI-UHFFFAOYSA-N -1 1 250.298 1.325 20 0 CDADMM O=C([O-])c1cc(CN2CCC(CO)(CO)CC2)cs1 ZINC001602256949 1175184657 /nfs/dbraw/zinc/18/46/57/1175184657.db2.gz QFARJNYVOAYYFQ-UHFFFAOYSA-N -1 1 285.365 1.013 20 0 CDADMM O=C([O-])c1cc(CNCCOc2cccc(F)c2)on1 ZINC001602260503 1175187593 /nfs/dbraw/zinc/18/75/93/1175187593.db2.gz ZTFOIZANPWIINO-UHFFFAOYSA-N -1 1 280.255 1.681 20 0 CDADMM O=C([O-])c1ccc(C(=O)N2CC[C@H](N3CCC3)C2)c(F)c1 ZINC001602317394 1175200377 /nfs/dbraw/zinc/20/03/77/1175200377.db2.gz ZCADQZJHHKAZMZ-NSHDSACASA-N -1 1 292.310 1.444 20 0 CDADMM O=C([O-])c1ccc(NC(=O)c2cnncc2O)s1 ZINC001602381235 1175228642 /nfs/dbraw/zinc/22/86/42/1175228642.db2.gz JVJZLYXILVPFIM-UHFFFAOYSA-N -1 1 265.250 1.194 20 0 CDADMM O=C([O-])c1cn(CN(C2CC2)C2CCCCC2)nn1 ZINC001602504932 1175262373 /nfs/dbraw/zinc/26/23/73/1175262373.db2.gz DJWMYXHIKPDFID-UHFFFAOYSA-N -1 1 264.329 1.731 20 0 CDADMM O=C([O-])c1ccoc1CN1CCC2(CCNC(=O)O2)CC1 ZINC001602660298 1175341372 /nfs/dbraw/zinc/34/13/72/1175341372.db2.gz ZIBSCRPSMQJWBC-UHFFFAOYSA-N -1 1 294.307 1.442 20 0 CDADMM C1=C[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC001602746414 1175384170 /nfs/dbraw/zinc/38/41/70/1175384170.db2.gz MAJMDZQSBCMOLT-SECBINFHSA-N -1 1 279.307 1.940 20 0 CDADMM C1=C[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC001602746414 1175384171 /nfs/dbraw/zinc/38/41/71/1175384171.db2.gz MAJMDZQSBCMOLT-SECBINFHSA-N -1 1 279.307 1.940 20 0 CDADMM c1nc(NCC2=CCCCC2)cc(-c2nnn[n-]2)n1 ZINC001602746108 1175384252 /nfs/dbraw/zinc/38/42/52/1175384252.db2.gz HJMBZOBZPNJLOB-UHFFFAOYSA-N -1 1 257.301 1.569 20 0 CDADMM c1nc(NCC2=CCCCC2)cc(-c2nn[n-]n2)n1 ZINC001602746108 1175384259 /nfs/dbraw/zinc/38/42/59/1175384259.db2.gz HJMBZOBZPNJLOB-UHFFFAOYSA-N -1 1 257.301 1.569 20 0 CDADMM CC(=CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccccc1 ZINC001602901763 1175447699 /nfs/dbraw/zinc/44/76/99/1175447699.db2.gz PLMBKIGSVCRINV-CLFYSBASSA-N -1 1 295.306 1.632 20 0 CDADMM CC(=CC(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccccc1 ZINC001602901763 1175447703 /nfs/dbraw/zinc/44/77/03/1175447703.db2.gz PLMBKIGSVCRINV-CLFYSBASSA-N -1 1 295.306 1.632 20 0 CDADMM C=Cn1cc(CN[C@@](C)(CC(=O)[O-])c2ccncc2)cn1 ZINC001602946255 1175455208 /nfs/dbraw/zinc/45/52/08/1175455208.db2.gz SRSPVWAIFNVDRC-HNNXBMFYSA-N -1 1 286.335 1.858 20 0 CDADMM C[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)o1)C(C)(F)F ZINC001603037798 1175479570 /nfs/dbraw/zinc/47/95/70/1175479570.db2.gz WZYWBRJRZYFLSI-LURJTMIESA-N -1 1 286.238 1.794 20 0 CDADMM C[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)o1)C(C)(F)F ZINC001603037798 1175479572 /nfs/dbraw/zinc/47/95/72/1175479572.db2.gz WZYWBRJRZYFLSI-LURJTMIESA-N -1 1 286.238 1.794 20 0 CDADMM C[C@@H](C(=O)n1ncc(-c2nn[n-]n2)c1N)[C@@H](C)C(C)(C)C ZINC001603036598 1175480350 /nfs/dbraw/zinc/48/03/50/1175480350.db2.gz GSSHSRGIVBEKEB-HTQZYQBOSA-N -1 1 291.359 1.604 20 0 CDADMM C[C@@H](C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)C1CC1 ZINC001603146265 1175501201 /nfs/dbraw/zinc/50/12/01/1175501201.db2.gz NXKAUBREJCBMSS-GHMZBOCLSA-N -1 1 268.357 1.040 20 0 CDADMM CC(C)(C(=O)[O-])n1ccc(NC(=O)c2ncccc2O)n1 ZINC001603290171 1175532626 /nfs/dbraw/zinc/53/26/26/1175532626.db2.gz QASQWZNXYAYAKS-UHFFFAOYSA-N -1 1 290.279 1.056 20 0 CDADMM CC(C)(C)[C@@H](NCC(=O)NC(C1CC1)C1CC1)C(=O)[O-] ZINC001603311254 1175536867 /nfs/dbraw/zinc/53/68/67/1175536867.db2.gz ZKQBIZNYAAUHJT-ZDUSSCGKSA-N -1 1 282.384 1.380 20 0 CDADMM CC(C)(C)N1CC[C@H]1C(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC001603345008 1175544793 /nfs/dbraw/zinc/54/47/93/1175544793.db2.gz ZAYOAHLDSODNQO-SFYZADRCSA-N -1 1 296.289 1.381 20 0 CDADMM CC(C)(C)OC(=O)[C@H](C1CC1)N1CCC(C(=O)[O-])CC1 ZINC001603356832 1175548493 /nfs/dbraw/zinc/54/84/93/1175548493.db2.gz DWAIIJCJCCMBIM-LBPRGKRZSA-N -1 1 283.368 1.903 20 0 CDADMM CC(C)[S@](C)(=O)=NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001603375149 1175549966 /nfs/dbraw/zinc/54/99/66/1175549966.db2.gz ONBRHLOPIVBNKY-IBGZPJMESA-N -1 1 299.381 1.575 20 0 CDADMM CC(C)[S@](C)(=O)=NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603375149 1175549970 /nfs/dbraw/zinc/54/99/70/1175549970.db2.gz ONBRHLOPIVBNKY-IBGZPJMESA-N -1 1 299.381 1.575 20 0 CDADMM CC(C)(C)[C@H](O)CNC(C)(C)c1nocc1C(=O)[O-] ZINC001603681405 1175595101 /nfs/dbraw/zinc/59/51/01/1175595101.db2.gz ZCHWYGFTCOCFIO-SECBINFHSA-N -1 1 270.329 1.605 20 0 CDADMM CC(C)(NC[C@@H]1CCCC[C@H]1O)c1cc(C(=O)[O-])on1 ZINC001603681256 1175596507 /nfs/dbraw/zinc/59/65/07/1175596507.db2.gz UMKPPJDUPRJQNK-VHSXEESVSA-N -1 1 282.340 1.749 20 0 CDADMM C[C@H](O)CCCn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001603697574 1175600591 /nfs/dbraw/zinc/60/05/91/1175600591.db2.gz ZRMYUVZSRYBPEE-JTQLQIEISA-N -1 1 299.334 1.343 20 0 CDADMM CC(C)C(=O)NCCN(C)Cc1cc(C(=O)[O-])cs1 ZINC001603706012 1175604350 /nfs/dbraw/zinc/60/43/50/1175604350.db2.gz JFFXTLNSSYWIMN-UHFFFAOYSA-N -1 1 284.381 1.650 20 0 CDADMM CC1(C)C[C@H](Nc2ccnc(-c3nnn[n-]3)c2)CCS1 ZINC001603764894 1175621905 /nfs/dbraw/zinc/62/19/05/1175621905.db2.gz JHDAEPOMZYSCMN-SNVBAGLBSA-N -1 1 290.396 1.770 20 0 CDADMM CC1(C)C[C@H](Nc2ccnc(-c3nn[n-]n3)c2)CCS1 ZINC001603764894 1175621911 /nfs/dbraw/zinc/62/19/11/1175621911.db2.gz JHDAEPOMZYSCMN-SNVBAGLBSA-N -1 1 290.396 1.770 20 0 CDADMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1c1ccco1 ZINC001603788325 1175630689 /nfs/dbraw/zinc/63/06/89/1175630689.db2.gz URKKLRIDJPGBHQ-GFCCVEGCSA-N -1 1 297.322 1.837 20 0 CDADMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1c1ccco1 ZINC001603788325 1175630694 /nfs/dbraw/zinc/63/06/94/1175630694.db2.gz URKKLRIDJPGBHQ-GFCCVEGCSA-N -1 1 297.322 1.837 20 0 CDADMM C[C@]1(COC(=O)c2sccc2-c2nn[n-]n2)C[C@H]1F ZINC001603808087 1175639717 /nfs/dbraw/zinc/63/97/17/1175639717.db2.gz KPRIMPOWBYGAHX-RDDDGLTNSA-N -1 1 282.300 1.833 20 0 CDADMM CC1(OC(=O)c2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001603820883 1175643617 /nfs/dbraw/zinc/64/36/17/1175643617.db2.gz YICSYNNZKZJCGC-UHFFFAOYSA-N -1 1 273.296 1.751 20 0 CDADMM CC1(OC(=O)c2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001603820883 1175643622 /nfs/dbraw/zinc/64/36/22/1175643622.db2.gz YICSYNNZKZJCGC-UHFFFAOYSA-N -1 1 273.296 1.751 20 0 CDADMM C[C@H]1C[C@@H]1c1ccc(CNc2ccnc(-c3nn[n-]n3)n2)o1 ZINC001603873102 1175664109 /nfs/dbraw/zinc/66/41/09/1175664109.db2.gz WWWALPDPUXXTGF-WPRPVWTQSA-N -1 1 297.322 1.407 20 0 CDADMM CC(C)N(CCC(=O)[O-])Cc1ncc(CN(C)C)s1 ZINC001603879501 1175666572 /nfs/dbraw/zinc/66/65/72/1175666572.db2.gz IKQOKMZGTQLBHJ-UHFFFAOYSA-N -1 1 285.413 1.890 20 0 CDADMM C[C@@H]1CC[C@H](Nc2cc(-c3nnn[n-]3)ncn2)[C@@H](C)C1 ZINC001603881194 1175667689 /nfs/dbraw/zinc/66/76/89/1175667689.db2.gz LTQSLDOHOXOLAO-UTLUCORTSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CC[C@H](Nc2cc(-c3nn[n-]n3)ncn2)[C@@H](C)C1 ZINC001603881194 1175667692 /nfs/dbraw/zinc/66/76/92/1175667692.db2.gz LTQSLDOHOXOLAO-UTLUCORTSA-N -1 1 273.344 1.893 20 0 CDADMM 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575156918 /nfs/dbraw/zinc/15/69/18/575156918.db2.gz FXNNDXRMRKMULK-YUMQZZPRSA-N -1 1 266.263 1.312 20 0 CDADMM CS/C=C/C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774975444 575258214 /nfs/dbraw/zinc/25/82/14/575258214.db2.gz ZXRYKUAXGTVANV-ZZXKWVIFSA-N -1 1 271.260 1.475 20 0 CDADMM CCC[C@](C)(O)C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000770206885 575431054 /nfs/dbraw/zinc/43/10/54/575431054.db2.gz ATEYPEVLWPZGHI-HNNXBMFYSA-N -1 1 293.319 1.037 20 0 CDADMM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC000736018947 575550234 /nfs/dbraw/zinc/55/02/34/575550234.db2.gz BYXYVSMGIYMCOF-QMMMGPOBSA-N -1 1 272.312 1.038 20 0 CDADMM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC000736018947 575550238 /nfs/dbraw/zinc/55/02/38/575550238.db2.gz BYXYVSMGIYMCOF-QMMMGPOBSA-N -1 1 272.312 1.038 20 0 CDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)c1cccc(O)c1 ZINC000736140146 575576859 /nfs/dbraw/zinc/57/68/59/575576859.db2.gz YWJODFHZYLEMDT-MRVPVSSYSA-N -1 1 283.295 1.535 20 0 CDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)c1cccc(O)c1 ZINC000736140146 575576863 /nfs/dbraw/zinc/57/68/63/575576863.db2.gz YWJODFHZYLEMDT-MRVPVSSYSA-N -1 1 283.295 1.535 20 0 CDADMM CC(C)[C@@H](C(=O)Nc1ccc(CC(=O)[O-])cc1)N(C)C ZINC000736349476 575633931 /nfs/dbraw/zinc/63/39/31/575633931.db2.gz MHKCYYXIJPYDSI-AWEZNQCLSA-N -1 1 278.352 1.838 20 0 CDADMM CCc1ccccc1NC(=O)CNC(C)(C)C(=O)[O-] ZINC000737911252 575675375 /nfs/dbraw/zinc/67/53/75/575675375.db2.gz QRCUTGGLACQTFM-UHFFFAOYSA-N -1 1 264.325 1.640 20 0 CDADMM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1CCC(=O)[O-] ZINC000736824165 575759759 /nfs/dbraw/zinc/75/97/59/575759759.db2.gz PCMNSYIGKXRFNL-NSHDSACASA-N -1 1 292.335 1.370 20 0 CDADMM C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)CCCN(C)C(=O)[O-] ZINC000736828401 575760279 /nfs/dbraw/zinc/76/02/79/575760279.db2.gz XXVYUEQSERFPDU-CHWSQXEVSA-N -1 1 297.399 1.462 20 0 CDADMM CCC[C@@](C)(NCC(=O)N(CC(C)C)C1CC1)C(=O)[O-] ZINC000736959183 575777262 /nfs/dbraw/zinc/77/72/62/575777262.db2.gz FPDARPDEHRFJFW-OAHLLOKOSA-N -1 1 284.400 1.866 20 0 CDADMM O=C(C1CCCC1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773165401 575787822 /nfs/dbraw/zinc/78/78/22/575787822.db2.gz XGGMNZHHNGOXRM-SECBINFHSA-N -1 1 267.358 1.006 20 0 CDADMM CCCCCNC(=O)COC(=O)c1ccc([O-])cc1F ZINC000773570663 575827017 /nfs/dbraw/zinc/82/70/17/575827017.db2.gz SQWBQCDQCWWVTB-UHFFFAOYSA-N -1 1 283.299 1.995 20 0 CDADMM COc1cccc(CCNc2nccnc2-c2nnn[n-]2)c1 ZINC000737131308 575829295 /nfs/dbraw/zinc/82/92/95/575829295.db2.gz NZLNSRDTTBQCJU-UHFFFAOYSA-N -1 1 297.322 1.320 20 0 CDADMM COc1cccc(CCNc2nccnc2-c2nn[n-]n2)c1 ZINC000737131308 575829296 /nfs/dbraw/zinc/82/92/96/575829296.db2.gz NZLNSRDTTBQCJU-UHFFFAOYSA-N -1 1 297.322 1.320 20 0 CDADMM CN(Cc1ccncc1)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000773748109 575837350 /nfs/dbraw/zinc/83/73/50/575837350.db2.gz LWZYEQKXJQAWIN-UHFFFAOYSA-N -1 1 299.359 1.685 20 0 CDADMM CN1CCC[C@H]1C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000737523737 575985546 /nfs/dbraw/zinc/98/55/46/575985546.db2.gz UYNLLJYWPVNKPI-OLZOCXBDSA-N -1 1 276.336 1.065 20 0 CDADMM Cc1occc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000737556477 575991107 /nfs/dbraw/zinc/99/11/07/575991107.db2.gz JTBIKTPDWFDSMD-UHFFFAOYSA-N -1 1 256.269 1.775 20 0 CDADMM Cc1occc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000737556477 575991110 /nfs/dbraw/zinc/99/11/10/575991110.db2.gz JTBIKTPDWFDSMD-UHFFFAOYSA-N -1 1 256.269 1.775 20 0 CDADMM Clc1ccc(Cl)c(Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000737573870 575993949 /nfs/dbraw/zinc/99/39/49/575993949.db2.gz DJVOPCDXSIOYIH-UHFFFAOYSA-N -1 1 296.121 1.813 20 0 CDADMM Clc1ccc(NC[C@H]2CCCOC2)nc1-c1nnn[n-]1 ZINC000737574010 575994105 /nfs/dbraw/zinc/99/41/05/575994105.db2.gz JDWFSVUGUCIVDU-MRVPVSSYSA-N -1 1 294.746 1.754 20 0 CDADMM Clc1ccc(NC[C@H]2CCCOC2)nc1-c1nn[n-]n1 ZINC000737574010 575994108 /nfs/dbraw/zinc/99/41/08/575994108.db2.gz JDWFSVUGUCIVDU-MRVPVSSYSA-N -1 1 294.746 1.754 20 0 CDADMM C[C@@H](CC1CCCC1)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765473101 576027639 /nfs/dbraw/zinc/02/76/39/576027639.db2.gz BTFBQZIFNXDBTP-VIFPVBQESA-N -1 1 267.329 1.368 20 0 CDADMM Cn1nc(COC(=O)c2cccc(Cl)c2F)[n-]c1=O ZINC000765496442 576030794 /nfs/dbraw/zinc/03/07/94/576030794.db2.gz PMNAAZZEOJFPAX-UHFFFAOYSA-N -1 1 285.662 1.258 20 0 CDADMM O=C(NCCCC1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738054720 576034934 /nfs/dbraw/zinc/03/49/34/576034934.db2.gz GHDRIEPPQLJNTD-UHFFFAOYSA-N -1 1 272.312 1.182 20 0 CDADMM O=C(NCCCC1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738054720 576034936 /nfs/dbraw/zinc/03/49/36/576034936.db2.gz GHDRIEPPQLJNTD-UHFFFAOYSA-N -1 1 272.312 1.182 20 0 CDADMM O=C([O-])[C@H](CNC(=O)c1[nH]nc2c1CCC2)c1ccccc1 ZINC000738484973 576081102 /nfs/dbraw/zinc/08/11/02/576081102.db2.gz GQUFELNGRGDPFK-GFCCVEGCSA-N -1 1 299.330 1.497 20 0 CDADMM O=C([O-])CCCCOC(=O)Cc1[nH]nc2ccccc21 ZINC000738573836 576090113 /nfs/dbraw/zinc/09/01/13/576090113.db2.gz BJDIVFUDHCYOMO-UHFFFAOYSA-N -1 1 276.292 1.904 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@H](C2OCCO2)C1 ZINC000767933065 576239926 /nfs/dbraw/zinc/23/99/26/576239926.db2.gz DYMYKDBHHQJIQT-NSHDSACASA-N -1 1 295.310 1.756 20 0 CDADMM O=C([O-])Nc1cccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000740029181 576412667 /nfs/dbraw/zinc/41/26/67/576412667.db2.gz PXQJZQWOPCRSRO-GFCCVEGCSA-N -1 1 289.335 1.743 20 0 CDADMM CCC(CC)(CC)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000760559883 576493711 /nfs/dbraw/zinc/49/37/11/576493711.db2.gz XTXXBUBHLXAAIY-SNVBAGLBSA-N -1 1 281.360 1.316 20 0 CDADMM O=C(NCCNc1ccccc1)c1cncc([O-])c1 ZINC000743460717 576641264 /nfs/dbraw/zinc/64/12/64/576641264.db2.gz MBZSJROYMOUFLF-UHFFFAOYSA-N -1 1 257.293 1.629 20 0 CDADMM CCC(=O)N1CC[C@@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC000762578785 576655448 /nfs/dbraw/zinc/65/54/48/576655448.db2.gz KVAVFPHFQDTFME-SECBINFHSA-N -1 1 296.754 1.786 20 0 CDADMM NC(=O)C[C@@H]1CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000746709929 576789777 /nfs/dbraw/zinc/78/97/77/576789777.db2.gz NMQOKODTRAQJFJ-VIFPVBQESA-N -1 1 296.754 1.773 20 0 CDADMM Cc1cc(Cl)ncc1OS(=O)(=O)c1c[n-]cn1 ZINC000753847646 576862477 /nfs/dbraw/zinc/86/24/77/576862477.db2.gz DFFRBAFWTXDFNH-UHFFFAOYSA-N -1 1 273.701 1.534 20 0 CDADMM CC[C@@H](C)NC(=S)NN=c1nc(OC)cc(C)[n-]1 ZINC000747653704 576878906 /nfs/dbraw/zinc/87/89/06/576878906.db2.gz FUGBBEBYWDUSEY-SSDOTTSWSA-N -1 1 269.374 1.383 20 0 CDADMM CCC(=O)N1CCC[C@H](C(=O)[N-]O[C@@H]2CCCCO2)C1 ZINC000749620159 576955641 /nfs/dbraw/zinc/95/56/41/576955641.db2.gz ZPFUCVLGIIJANT-WCQYABFASA-N -1 1 284.356 1.209 20 0 CDADMM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000750130359 576977542 /nfs/dbraw/zinc/97/75/42/576977542.db2.gz KGBUWLAIMJQMMZ-ZEAWXOLYSA-N -1 1 271.304 1.745 20 0 CDADMM CC(C)CO[N-]C(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000750220259 576981838 /nfs/dbraw/zinc/98/18/38/576981838.db2.gz FNXBNONSUCPBJL-LBPRGKRZSA-N -1 1 282.384 1.871 20 0 CDADMM Cc1noc([C@H](C)[N-]C(=O)C(F)(F)c2nccs2)n1 ZINC000756677756 576999702 /nfs/dbraw/zinc/99/97/02/576999702.db2.gz KUKIYEHALFOQRT-YFKPBYRVSA-N -1 1 288.279 1.804 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCOC1 ZINC000752413752 577104655 /nfs/dbraw/zinc/10/46/55/577104655.db2.gz 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/nfs/dbraw/zinc/92/11/63/601921163.db2.gz BUUUHEKMTYHAQP-AXFHLTTASA-N -1 1 288.413 1.182 20 0 CDADMM CC(C)[C@@H]1CC(=O)N(CN2CCC[C@@H](CC(=O)[O-])C2)C1 ZINC000817858695 597041687 /nfs/dbraw/zinc/04/16/87/597041687.db2.gz OZOBQHMNOPYBQP-QWHCGFSZSA-N -1 1 282.384 1.635 20 0 CDADMM COC(=O)c1ccoc1CN1CCC[C@H](CC(=O)[O-])C1 ZINC000818523977 597082717 /nfs/dbraw/zinc/08/27/17/597082717.db2.gz ZRXXDQYYBBWHQU-SNVBAGLBSA-N -1 1 281.308 1.753 20 0 CDADMM Cc1[nH]nc(C(=O)N(C)[C@@H](C)C(=O)[O-])c1Br ZINC000309687162 597459709 /nfs/dbraw/zinc/45/97/09/597459709.db2.gz OMKFXFDAUQTUON-YFKPBYRVSA-N -1 1 290.117 1.026 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CNc1ccc2c(c1)OCO2 ZINC000823766894 607308556 /nfs/dbraw/zinc/30/85/56/607308556.db2.gz LFNCMXJJUOKLLH-UHFFFAOYSA-N -1 1 285.263 1.801 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1CNc1ccc2c(c1)OCO2 ZINC000823766894 607308557 /nfs/dbraw/zinc/30/85/57/607308557.db2.gz LFNCMXJJUOKLLH-UHFFFAOYSA-N -1 1 285.263 1.801 20 0 CDADMM CN(CCC(=O)[O-])Cc1cn2cccc(F)c2n1 ZINC000820585960 598127380 /nfs/dbraw/zinc/12/73/80/598127380.db2.gz HWAFENZXJSSIMP-UHFFFAOYSA-N -1 1 251.261 1.380 20 0 CDADMM CCS(=O)(=O)C[C@H](C)NCc1ccc(C(=O)[O-])cc1 ZINC000820391931 598179977 /nfs/dbraw/zinc/17/99/77/598179977.db2.gz QSNXGPCZIXFLJI-JTQLQIEISA-N -1 1 285.365 1.298 20 0 CDADMM C[C@H]1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC000095254237 598341677 /nfs/dbraw/zinc/34/16/77/598341677.db2.gz IVKFSLJVMOPTSO-IUCAKERBSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@H]1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC000095254237 598341679 /nfs/dbraw/zinc/34/16/79/598341679.db2.gz IVKFSLJVMOPTSO-IUCAKERBSA-N -1 1 259.317 1.647 20 0 CDADMM C#CCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000095120571 599556775 /nfs/dbraw/zinc/55/67/75/599556775.db2.gz YJTUZKUDZORZLK-UHFFFAOYSA-N -1 1 264.292 1.850 20 0 CDADMM C#CCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000095120571 599556778 /nfs/dbraw/zinc/55/67/78/599556778.db2.gz YJTUZKUDZORZLK-UHFFFAOYSA-N -1 1 264.292 1.850 20 0 CDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCC1CCCC1 ZINC000022167939 599775908 /nfs/dbraw/zinc/77/59/08/599775908.db2.gz FBJIBFQYJCFISC-LBPRGKRZSA-N -1 1 279.340 1.492 20 0 CDADMM Cc1nc([C@H]2CN3CCC[C@@H]3CO2)sc1C(=O)[O-] ZINC000091687062 599941204 /nfs/dbraw/zinc/94/12/04/599941204.db2.gz LNODJNUFCDJUBS-RKDXNWHRSA-N -1 1 268.338 1.685 20 0 CDADMM CN(C)[C@H](CNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1cccs1 ZINC000037792218 600103804 /nfs/dbraw/zinc/10/38/04/600103804.db2.gz WUFNJSCPICOAAB-LPEHRKFASA-N -1 1 282.365 1.188 20 0 CDADMM Cc1oc(CN2CCN(C3CCC3)CC2)cc1C(=O)[O-] ZINC000381017158 600223877 /nfs/dbraw/zinc/22/38/77/600223877.db2.gz BAFBDRWSCMUKHI-UHFFFAOYSA-N -1 1 278.352 1.956 20 0 CDADMM CCn1ccnc1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405349293 600302134 /nfs/dbraw/zinc/30/21/34/600302134.db2.gz YHJNIWBKSHMINU-NSHDSACASA-N -1 1 263.341 1.590 20 0 CDADMM C[C@@H](CN(C)CC(=O)Nc1ccc(F)cc1F)C(=O)[O-] ZINC000042706094 600369838 /nfs/dbraw/zinc/36/98/38/600369838.db2.gz RTSGJTHIIDNDCP-QMMMGPOBSA-N -1 1 286.278 1.556 20 0 CDADMM Cc1[nH]ncc1C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000080039945 600489710 /nfs/dbraw/zinc/48/97/10/600489710.db2.gz VTSFXURRMCUAQR-GFCCVEGCSA-N -1 1 287.275 1.211 20 0 CDADMM CC[C@](C)(NCC(=O)NC1CCCCCC1)C(=O)[O-] ZINC000094228043 600562253 /nfs/dbraw/zinc/56/22/53/600562253.db2.gz YDICFHBMRCUCLE-AWEZNQCLSA-N -1 1 270.373 1.668 20 0 CDADMM O=C([O-])c1coc(CNS(=O)(=O)c2ccccc2O)c1 ZINC001602557304 1175295786 /nfs/dbraw/zinc/29/57/86/1175295786.db2.gz PEJGECOUDSIEQC-UHFFFAOYSA-N -1 1 297.288 1.162 20 0 CDADMM Cc1ncccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000091495267 600831360 /nfs/dbraw/zinc/83/13/60/600831360.db2.gz KRPVJOVSQGUNQM-UHFFFAOYSA-N -1 1 298.345 1.951 20 0 CDADMM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCN(C3CCC3)CC2)C1 ZINC000328420858 600951981 /nfs/dbraw/zinc/95/19/81/600951981.db2.gz RPDAYGBPTFNODV-OLZOCXBDSA-N -1 1 294.395 1.574 20 0 CDADMM NC(=O)c1cccc(CN2CCSC[C@@H]2CC(=O)[O-])c1 ZINC000091130776 601021425 /nfs/dbraw/zinc/02/14/25/601021425.db2.gz ISXCRCSOCPBMLU-LBPRGKRZSA-N -1 1 294.376 1.178 20 0 CDADMM CN(Cc1nnc[nH]1)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000830883785 601040691 /nfs/dbraw/zinc/04/06/91/601040691.db2.gz SMQCXWBEGPGNSE-NSHDSACASA-N -1 1 280.715 1.716 20 0 CDADMM CC[C@@H](C)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000828701057 601089573 /nfs/dbraw/zinc/08/95/73/601089573.db2.gz XILLYKMTKJTKBY-GHMZBOCLSA-N -1 1 256.346 1.040 20 0 CDADMM CC(C)N(CCC(=O)[O-])CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000826947142 601398030 /nfs/dbraw/zinc/39/80/30/601398030.db2.gz RASYRULOJFNWAX-OLZOCXBDSA-N -1 1 282.384 1.920 20 0 CDADMM O=C([O-])[C@@]1(F)CCN(C[C@@H](O)c2ccc(F)cc2)C1 ZINC000833176161 601442517 /nfs/dbraw/zinc/44/25/17/601442517.db2.gz WXNRASJOVLQEKK-DGCLKSJQSA-N -1 1 271.263 1.358 20 0 CDADMM C[C@H]1C[N@@H+](Cc2nc(=O)c3sccc3[n-]2)C[C@H]1C(=O)[O-] ZINC000253620037 601526495 /nfs/dbraw/zinc/52/64/95/601526495.db2.gz NUOVUZLTNCSCRN-JGVFFNPUSA-N -1 1 293.348 1.549 20 0 CDADMM Cc1cc(C(=O)CN2C[C@H](C)[C@@H](C(=O)[O-])C2)c(C)n1C ZINC000832859487 601540589 /nfs/dbraw/zinc/54/05/89/601540589.db2.gz POPWBGWMGDBKSO-ZANVPECISA-N -1 1 278.352 1.477 20 0 CDADMM CN(Cc1ccc(C(=O)[O-])c(F)c1)C[C@H]1CN(C)CCO1 ZINC000830966110 601631744 /nfs/dbraw/zinc/63/17/44/601631744.db2.gz XUPFJAHWRDGPCH-GFCCVEGCSA-N -1 1 296.342 1.286 20 0 CDADMM Cc1cc(CC(=O)N[C@@H](C(=O)[O-])c2cccs2)[nH]n1 ZINC000832883802 601673418 /nfs/dbraw/zinc/67/34/18/601673418.db2.gz PWVGXBXHOUWQMH-LLVKDONJSA-N -1 1 279.321 1.264 20 0 CDADMM CCC(CC)(CC(=O)[O-])NC(=O)Cc1cc(C)n[nH]1 ZINC000828784911 601688206 /nfs/dbraw/zinc/68/82/06/601688206.db2.gz PXKRJJHZLBOJBM-UHFFFAOYSA-N -1 1 267.329 1.410 20 0 CDADMM CN1CCCC[C@H]1C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000830940995 601708630 /nfs/dbraw/zinc/70/86/30/601708630.db2.gz OZTJCOQCXJBARC-NSHDSACASA-N -1 1 268.357 1.232 20 0 CDADMM CCOCCN1CCN(Cc2ccsc2C(=O)[O-])CC1 ZINC000830012367 601823092 /nfs/dbraw/zinc/82/30/92/601823092.db2.gz ZVIZBDCVUSLOGS-UHFFFAOYSA-N -1 1 298.408 1.600 20 0 CDADMM C[C@]1(C(=O)[O-])CCN(Cc2nc(CC(F)(F)F)no2)C1 ZINC000828029181 601917764 /nfs/dbraw/zinc/91/77/64/601917764.db2.gz UZPOAZUMMUTGMT-JTQLQIEISA-N -1 1 293.245 1.471 20 0 CDADMM O=C([O-])c1ccc(NC(=O)NCCc2nc[nH]n2)cc1F ZINC000236471485 601948895 /nfs/dbraw/zinc/94/88/95/601948895.db2.gz XLLJFYDDRMDLPZ-UHFFFAOYSA-N -1 1 293.258 1.006 20 0 CDADMM O=C([O-])[C@@H]1CC[C@@H]1C(=O)OCc1nc[nH]c1C(F)(F)F ZINC001602616001 1175325170 /nfs/dbraw/zinc/32/51/70/1175325170.db2.gz URCQZYSFNJSXCP-RITPCOANSA-N -1 1 292.213 1.583 20 0 CDADMM CC[C@@H](C)[C@H](NC(=O)CN1CCC2(CCC2)C1)C(=O)[O-] ZINC000828720123 602239928 /nfs/dbraw/zinc/23/99/28/602239928.db2.gz UXOLBHLSEBICMC-YPMHNXCESA-N -1 1 282.384 1.478 20 0 CDADMM CCC(CC)(CC(=O)[O-])NC(=O)CN1CCC(C)CC1 ZINC000828779657 602392412 /nfs/dbraw/zinc/39/24/12/602392412.db2.gz CRYBNXDSXYIUAM-UHFFFAOYSA-N -1 1 284.400 1.868 20 0 CDADMM CC[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(F)c1)N(C)C ZINC000828587306 604318563 /nfs/dbraw/zinc/31/85/63/604318563.db2.gz PDJDETRLWHGCOG-NSHDSACASA-N -1 1 268.288 1.803 20 0 CDADMM CCn1cc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])cn1 ZINC000061449519 604465149 /nfs/dbraw/zinc/46/51/49/604465149.db2.gz RVRMHYZTNOEOLD-HNNXBMFYSA-N -1 1 285.347 1.915 20 0 CDADMM C[C@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC000263249261 604538825 /nfs/dbraw/zinc/53/88/25/604538825.db2.gz OSMBKDYHTZGJNQ-HZMBPMFUSA-N -1 1 292.339 1.293 20 0 CDADMM C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1cccc(C(=O)[O-])c1 ZINC000820245340 604579632 /nfs/dbraw/zinc/57/96/32/604579632.db2.gz MQSRXKJCMMTMSX-GHMZBOCLSA-N -1 1 276.336 1.549 20 0 CDADMM C/C(=C/CN1C[C@H](O)C[C@@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000833385900 604645609 /nfs/dbraw/zinc/64/56/09/604645609.db2.gz XWHKLDWMMVCOML-DNFKICFMSA-N -1 1 279.311 1.964 20 0 CDADMM CCN(CCO)[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000829713709 604762130 /nfs/dbraw/zinc/76/21/30/604762130.db2.gz NRBYBTILBGLGRD-LLVKDONJSA-N -1 1 294.351 1.334 20 0 CDADMM Cc1cc(=O)[n-]c(C[NH2+][C@]2(C)CCCC[C@@H]2C(=O)[O-])n1 ZINC000833746872 605064099 /nfs/dbraw/zinc/06/40/99/605064099.db2.gz KOZGKJJOLORMPD-QMTHXVAHSA-N -1 1 279.340 1.614 20 0 CDADMM C[C@@H]1CC/C(=C\C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])C1 ZINC000833600153 605075644 /nfs/dbraw/zinc/07/56/44/605075644.db2.gz BJTRPGSBUDFCOO-IMQVEDSNSA-N -1 1 277.324 1.268 20 0 CDADMM CC1=C(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)CCCO1 ZINC000833576746 605099212 /nfs/dbraw/zinc/09/92/12/605099212.db2.gz CNNSKEABJXACNW-LLVKDONJSA-N -1 1 296.367 1.078 20 0 CDADMM CC(C)C[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000824211087 605124208 /nfs/dbraw/zinc/12/42/08/605124208.db2.gz MTZXIARCZALXRM-GHMZBOCLSA-N -1 1 294.355 1.586 20 0 CDADMM CC[C@@]1(C)CCCN(CN2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000833646547 605175845 /nfs/dbraw/zinc/17/58/45/605175845.db2.gz PZOXWPJVUUBOMF-RISCZKNCSA-N -1 1 268.357 1.389 20 0 CDADMM CCc1nc([C@H](C)NC(=O)C2CCC(C(=O)[O-])CC2)n[nH]1 ZINC000833674872 605215964 /nfs/dbraw/zinc/21/59/64/605215964.db2.gz XHPMJILOIIGRIE-IDKOKCKLSA-N -1 1 294.355 1.435 20 0 CDADMM C[C@@H]1[C@H](C)N(C)CCN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000833583751 605267828 /nfs/dbraw/zinc/26/78/28/605267828.db2.gz KNJNVFGUFUZJNL-NWDGAFQWSA-N -1 1 290.363 1.478 20 0 CDADMM C[C@H]1CN(C(=O)/C=C\c2ccco2)CCN1CCC(=O)[O-] ZINC000833619618 605279123 /nfs/dbraw/zinc/27/91/23/605279123.db2.gz UJVIBTNRKFICES-RXNFCKPNSA-N -1 1 292.335 1.300 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C12CCC(CC1)C2 ZINC000833619579 605367808 /nfs/dbraw/zinc/36/78/08/605367808.db2.gz JGLSDSPQBWKYNH-FUJMWEONSA-N -1 1 294.395 1.574 20 0 CDADMM C1=C[C@@H](CCCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001602746511 1175383544 /nfs/dbraw/zinc/38/35/44/1175383544.db2.gz OGQDUAUFJPKVBG-SNVBAGLBSA-N -1 1 271.328 1.815 20 0 CDADMM C1=C[C@@H](CCCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001602746511 1175383550 /nfs/dbraw/zinc/38/35/50/1175383550.db2.gz OGQDUAUFJPKVBG-SNVBAGLBSA-N -1 1 271.328 1.815 20 0 CDADMM Cc1cc(C[C@@H](C)NC(=O)CCCN(C)C(=O)[O-])n[nH]1 ZINC000830031223 605436310 /nfs/dbraw/zinc/43/63/10/605436310.db2.gz TXUYJJMRRJLLAC-SECBINFHSA-N -1 1 282.344 1.155 20 0 CDADMM CN(C[C@H](O)C1CC1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821595315 606200600 /nfs/dbraw/zinc/20/06/00/606200600.db2.gz SKLMDYKHTATRDI-VIFPVBQESA-N -1 1 294.746 1.122 20 0 CDADMM CN(C[C@H](O)C1CC1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821595315 606200601 /nfs/dbraw/zinc/20/06/01/606200601.db2.gz SKLMDYKHTATRDI-VIFPVBQESA-N -1 1 294.746 1.122 20 0 CDADMM CCCCC(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC000821041010 606236865 /nfs/dbraw/zinc/23/68/65/606236865.db2.gz XHFYFHLTFWRSGS-UHFFFAOYSA-N -1 1 280.357 1.785 20 0 CDADMM CCCCC(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC000821041010 606236866 /nfs/dbraw/zinc/23/68/66/606236866.db2.gz XHFYFHLTFWRSGS-UHFFFAOYSA-N -1 1 280.357 1.785 20 0 CDADMM C[C@H](O)[C@H](C)Sc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820467843 606469776 /nfs/dbraw/zinc/46/97/76/606469776.db2.gz NHJGMEHAFITPIL-WDSKDSINSA-N -1 1 285.760 1.777 20 0 CDADMM C[C@H](O)[C@H](C)Sc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820467843 606469777 /nfs/dbraw/zinc/46/97/77/606469777.db2.gz NHJGMEHAFITPIL-WDSKDSINSA-N -1 1 285.760 1.777 20 0 CDADMM CCC1(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000820961794 606448478 /nfs/dbraw/zinc/44/84/78/606448478.db2.gz CCLAWJGJULSBNS-UHFFFAOYSA-N -1 1 272.312 1.182 20 0 CDADMM CCC1(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000820961794 606448480 /nfs/dbraw/zinc/44/84/80/606448480.db2.gz CCLAWJGJULSBNS-UHFFFAOYSA-N -1 1 272.312 1.182 20 0 CDADMM CC[C@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821002320 606565021 /nfs/dbraw/zinc/56/50/21/606565021.db2.gz VRXGHNHIIQFDDN-QMMMGPOBSA-N -1 1 293.352 1.179 20 0 CDADMM CC[C@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821002320 606565022 /nfs/dbraw/zinc/56/50/22/606565022.db2.gz VRXGHNHIIQFDDN-QMMMGPOBSA-N -1 1 293.352 1.179 20 0 CDADMM C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820650192 606569118 /nfs/dbraw/zinc/56/91/18/606569118.db2.gz RLBKMTRABIMUCZ-HTQZYQBOSA-N -1 1 277.353 1.799 20 0 CDADMM C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820650192 606569119 /nfs/dbraw/zinc/56/91/19/606569119.db2.gz RLBKMTRABIMUCZ-HTQZYQBOSA-N -1 1 277.353 1.799 20 0 CDADMM CCc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)n[nH]1 ZINC000821470209 606592761 /nfs/dbraw/zinc/59/27/61/606592761.db2.gz OHBIHFNWSSSZEQ-UHFFFAOYSA-N -1 1 289.324 1.466 20 0 CDADMM CCc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)n[nH]1 ZINC000821470209 606592763 /nfs/dbraw/zinc/59/27/63/606592763.db2.gz OHBIHFNWSSSZEQ-UHFFFAOYSA-N -1 1 289.324 1.466 20 0 CDADMM CC(F)(F)CCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820306635 606650758 /nfs/dbraw/zinc/65/07/58/606650758.db2.gz ATNIPBDAAUMYDN-UHFFFAOYSA-N -1 1 297.265 1.740 20 0 CDADMM CC(F)(F)CCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820306635 606650759 /nfs/dbraw/zinc/65/07/59/606650759.db2.gz ATNIPBDAAUMYDN-UHFFFAOYSA-N -1 1 297.265 1.740 20 0 CDADMM Cc1ccc(OCCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826291900 607988717 /nfs/dbraw/zinc/98/87/17/607988717.db2.gz ALIWPGMMKNTVCN-UHFFFAOYSA-N -1 1 297.322 1.456 20 0 CDADMM Cc1ccc(OCCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826291900 607988718 /nfs/dbraw/zinc/98/87/18/607988718.db2.gz ALIWPGMMKNTVCN-UHFFFAOYSA-N -1 1 297.322 1.456 20 0 CDADMM Clc1ccc(Cn2ccnc2-c2nnn[n-]2)cn1 ZINC000826352108 608014445 /nfs/dbraw/zinc/01/44/45/608014445.db2.gz NZXKFEKVVKXZLD-UHFFFAOYSA-N -1 1 261.676 1.160 20 0 CDADMM Clc1ccc(Cn2ccnc2-c2nn[n-]n2)cn1 ZINC000826352108 608014446 /nfs/dbraw/zinc/01/44/46/608014446.db2.gz NZXKFEKVVKXZLD-UHFFFAOYSA-N -1 1 261.676 1.160 20 0 CDADMM CN(Cc1ccnc(-c2nnn[n-]2)c1)OCc1ccccc1 ZINC000825986324 608063530 /nfs/dbraw/zinc/06/35/30/608063530.db2.gz YTNWXXRLEHYWFC-UHFFFAOYSA-N -1 1 296.334 1.825 20 0 CDADMM CN(Cc1ccnc(-c2nn[n-]n2)c1)OCc1ccccc1 ZINC000825986324 608063531 /nfs/dbraw/zinc/06/35/31/608063531.db2.gz YTNWXXRLEHYWFC-UHFFFAOYSA-N -1 1 296.334 1.825 20 0 CDADMM C[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)CC12CCC2 ZINC000824961878 608195942 /nfs/dbraw/zinc/19/59/42/608195942.db2.gz KGSYWEOCLGWQLM-SNVBAGLBSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)CC12CCC2 ZINC000824961878 608195943 /nfs/dbraw/zinc/19/59/43/608195943.db2.gz KGSYWEOCLGWQLM-SNVBAGLBSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC12CCC2 ZINC000824962727 608196726 /nfs/dbraw/zinc/19/67/26/608196726.db2.gz XESGOIZPWCEVIJ-SNVBAGLBSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC12CCC2 ZINC000824962727 608196728 /nfs/dbraw/zinc/19/67/28/608196728.db2.gz XESGOIZPWCEVIJ-SNVBAGLBSA-N -1 1 285.355 1.673 20 0 CDADMM CC(C)[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC000824216201 608242751 /nfs/dbraw/zinc/24/27/51/608242751.db2.gz OVZOWTCSUKEKDX-GXSJLCMTSA-N -1 1 289.343 1.272 20 0 CDADMM CC(C)[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC000824216201 608242753 /nfs/dbraw/zinc/24/27/53/608242753.db2.gz OVZOWTCSUKEKDX-GXSJLCMTSA-N -1 1 289.343 1.272 20 0 CDADMM COc1ccc(C)cc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826190283 608395654 /nfs/dbraw/zinc/39/56/54/608395654.db2.gz WEOXOCXQAZSQCX-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1ccc(C)cc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826190283 608395656 /nfs/dbraw/zinc/39/56/56/608395656.db2.gz WEOXOCXQAZSQCX-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM Fc1cccc2c1CN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000826377971 608447104 /nfs/dbraw/zinc/44/71/04/608447104.db2.gz OZZJWHBSHXFNKL-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM Fc1cccc2c1CN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000826377971 608447105 /nfs/dbraw/zinc/44/71/05/608447105.db2.gz OZZJWHBSHXFNKL-UHFFFAOYSA-N -1 1 297.297 1.359 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N(C)Cc1ccccn1 ZINC000826279796 608544410 /nfs/dbraw/zinc/54/44/10/608544410.db2.gz CJGFQNCEWQSAHR-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)C[C@H]1O ZINC000824991699 608553030 /nfs/dbraw/zinc/55/30/30/608553030.db2.gz FICOQILAUWRAAW-YMTOWFKASA-N -1 1 296.334 1.232 20 0 CDADMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)C[C@H]1O ZINC000824991699 608553031 /nfs/dbraw/zinc/55/30/31/608553031.db2.gz FICOQILAUWRAAW-YMTOWFKASA-N -1 1 296.334 1.232 20 0 CDADMM C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)[C@H](C)CO1 ZINC000824984783 608561687 /nfs/dbraw/zinc/56/16/87/608561687.db2.gz NOSVDJWYJFLBPZ-RKDXNWHRSA-N -1 1 263.301 1.069 20 0 CDADMM C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)[C@H](C)CO1 ZINC000824984783 608561689 /nfs/dbraw/zinc/56/16/89/608561689.db2.gz NOSVDJWYJFLBPZ-RKDXNWHRSA-N -1 1 263.301 1.069 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CN1CCOCC12CCC2 ZINC000826515327 608714834 /nfs/dbraw/zinc/71/48/34/608714834.db2.gz VFWJAKZQBRAJIH-UHFFFAOYSA-N -1 1 275.312 1.215 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1CN1CCOCC12CCC2 ZINC000826515327 608714838 /nfs/dbraw/zinc/71/48/38/608714838.db2.gz VFWJAKZQBRAJIH-UHFFFAOYSA-N -1 1 275.312 1.215 20 0 CDADMM C[C@H]1OCC[C@@]1(C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825014298 609605017 /nfs/dbraw/zinc/60/50/17/609605017.db2.gz VKYLKZMCKZUUOT-JMCQJSRRSA-N -1 1 293.352 1.226 20 0 CDADMM C[C@H]1OCC[C@@]1(C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825014298 609605018 /nfs/dbraw/zinc/60/50/18/609605018.db2.gz VKYLKZMCKZUUOT-JMCQJSRRSA-N -1 1 293.352 1.226 20 0 CDADMM O=C(N[C@H]1COC[C@@H]1C1CC1)c1c([O-])cccc1F ZINC000891051149 617356940 /nfs/dbraw/zinc/35/69/40/617356940.db2.gz UPZJDALGYYTJON-KOLCDFICSA-N -1 1 265.284 1.686 20 0 CDADMM COC(=O)c1cc(C)c(C(=O)[N-]c2nc(C)n(C)n2)o1 ZINC000891144141 617371458 /nfs/dbraw/zinc/37/14/58/617371458.db2.gz QDLRSZLOHUXPCG-UHFFFAOYSA-N -1 1 278.268 1.064 20 0 CDADMM CC[C@H](C)[C@@](C)(O)CNc1cc(=O)[n-]c(COC)n1 ZINC000892501395 617437507 /nfs/dbraw/zinc/43/75/07/617437507.db2.gz IEIDUKWSXHDJSZ-ZANVPECISA-N -1 1 269.345 1.538 20 0 CDADMM CO[C@@H](C)CCC(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000782433306 617457456 /nfs/dbraw/zinc/45/74/56/617457456.db2.gz VSEJYMQOWXQYIL-QMMMGPOBSA-N -1 1 285.262 1.413 20 0 CDADMM CCC(=O)N1CC[C@H](N(CC)C(=O)c2ncccc2[O-])C1 ZINC000942754656 614719257 /nfs/dbraw/zinc/71/92/57/614719257.db2.gz CVGXFRSFFFXFKQ-NSHDSACASA-N -1 1 291.351 1.260 20 0 CDADMM CCN(C(=O)c1ncccc1[O-])C1CN(C/C=C\Cl)C1 ZINC000949952187 614796408 /nfs/dbraw/zinc/79/64/08/614796408.db2.gz KPGDGBLRZHOHDZ-XQRVVYSFSA-N -1 1 295.770 1.686 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cncc(F)c1 ZINC000891623719 617510520 /nfs/dbraw/zinc/51/05/20/617510520.db2.gz ZALFWTJXAOYBBB-UHFFFAOYSA-N -1 1 288.282 1.847 20 0 CDADMM CC[C@H](C)C(=O)N1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC000954124180 615625164 /nfs/dbraw/zinc/62/51/64/615625164.db2.gz PDVRTSBCCMJNIN-JTQLQIEISA-N -1 1 291.351 1.116 20 0 CDADMM COCc1nc(NC[C@H](C)C[C@H](C)O)cc(=O)[n-]1 ZINC000892645560 617557767 /nfs/dbraw/zinc/55/77/67/617557767.db2.gz OMCOGOBTSMCMNS-BDAKNGLRSA-N -1 1 255.318 1.148 20 0 CDADMM COC(=O)c1ccc(C(=O)O[C@H]2CCn3c(C)cnc32)[n-]1 ZINC000893528838 618039813 /nfs/dbraw/zinc/03/98/13/618039813.db2.gz LCPRLYJTWOJCDV-NSHDSACASA-N -1 1 289.291 1.608 20 0 CDADMM CC[C@H](C[C@H](C)CO)Nc1cc(=O)[n-]c(COC)n1 ZINC000892745133 617691037 /nfs/dbraw/zinc/69/10/37/617691037.db2.gz KWJRABYXLLGNHH-VHSXEESVSA-N -1 1 269.345 1.538 20 0 CDADMM CC(C)OC(=O)c1cc(NC(=O)[C@@H]2CCC(C)(C)O2)n[nH]1 ZINC000888118993 620750791 /nfs/dbraw/zinc/75/07/91/620750791.db2.gz PLNCCFRHJBXCGL-JTQLQIEISA-N -1 1 295.339 1.871 20 0 CDADMM COCc1nc(NC[C@@H](CO)c2ccccc2)cc(=O)[n-]1 ZINC000892833531 617811376 /nfs/dbraw/zinc/81/13/76/617811376.db2.gz YXZSTMLBAPRNEQ-LBPRGKRZSA-N -1 1 289.335 1.517 20 0 CDADMM CCC[C@@H]1CN(c2cc(=O)[n-]c(COC)n2)CCO1 ZINC000893019217 618062015 /nfs/dbraw/zinc/06/20/15/618062015.db2.gz PCBNMFWUFPDCID-SNVBAGLBSA-N -1 1 267.329 1.334 20 0 CDADMM COCc1nc(N2CCC[C@@H](CSC)C2)cc(=O)[n-]1 ZINC000893964890 618225936 /nfs/dbraw/zinc/22/59/36/618225936.db2.gz HBULDXVCSMHRQW-SNVBAGLBSA-N -1 1 283.397 1.908 20 0 CDADMM C[C@@H]1[C@@H](CO)CCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000910559286 618299464 /nfs/dbraw/zinc/29/94/64/618299464.db2.gz JIQUNBUDMYUURO-MWLCHTKSSA-N -1 1 291.351 1.293 20 0 CDADMM C[C@@H]1CN(Cc2cc3c(cn2)OCCO3)CC[C@@H]1C(=O)[O-] ZINC000901889005 618332991 /nfs/dbraw/zinc/33/29/91/618332991.db2.gz WFGQVEXBAVJLTC-PWSUYJOCSA-N -1 1 292.335 1.395 20 0 CDADMM CCCN1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)CC1 ZINC000901928438 618388025 /nfs/dbraw/zinc/38/80/25/618388025.db2.gz LGGMMNLDUDMCGN-GQCTYLIASA-N -1 1 292.335 1.545 20 0 CDADMM Cc1ccc(CN2CCc3ccccc3[C@@H]2C(=O)[O-])nn1 ZINC000901991411 618432205 /nfs/dbraw/zinc/43/22/05/618432205.db2.gz ZUEICETYPPEMCH-OAHLLOKOSA-N -1 1 283.331 1.969 20 0 CDADMM C[C@@H]1CCc2n[nH]c(C(=O)NC3(CC(=O)[O-])CCC3)c2C1 ZINC000902003857 618476858 /nfs/dbraw/zinc/47/68/58/618476858.db2.gz FXIYJCPQWPBMQS-SECBINFHSA-N -1 1 291.351 1.662 20 0 CDADMM O=C([O-])CC1(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCC1 ZINC000902007820 618485422 /nfs/dbraw/zinc/48/54/22/618485422.db2.gz USYUDASZUGDKRO-RKDXNWHRSA-N -1 1 263.297 1.027 20 0 CDADMM CCCCCc1cc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)n[nH]1 ZINC000910801765 618515134 /nfs/dbraw/zinc/51/51/34/618515134.db2.gz QROOKJCWZKXPMG-PJXYFTJBSA-N -1 1 291.351 1.545 20 0 CDADMM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)c3cccc4[nH]cnc43)C[C@@H]21 ZINC000910849094 618536029 /nfs/dbraw/zinc/53/60/29/618536029.db2.gz NAJXYAAWGPRDFQ-UBHAPETDSA-N -1 1 285.303 1.356 20 0 CDADMM O=C([O-])C1(CNC(=O)c2cccc3nc[nH]c32)CCCC1 ZINC000902062383 618552942 /nfs/dbraw/zinc/55/29/42/618552942.db2.gz HDCXSQIIPWFXFH-UHFFFAOYSA-N -1 1 287.319 1.938 20 0 CDADMM C[C@@H]1CN(Cc2nnc3n2CCCCC3)C[C@@H]1C(=O)[O-] ZINC000828463435 618623172 /nfs/dbraw/zinc/62/31/72/618623172.db2.gz PLJLCQRZQSIKKC-MNOVXSKESA-N -1 1 278.356 1.157 20 0 CDADMM COCc1nc(N2CC[C@@H](c3cccnc3)C2)cc(=O)[n-]1 ZINC000894346078 618804887 /nfs/dbraw/zinc/80/48/87/618804887.db2.gz GGDPVFBHAQAIQV-GFCCVEGCSA-N -1 1 286.335 1.718 20 0 CDADMM CCOC(=O)c1c[n-]c(NC(=O)C=CC2CCOCC2)n1 ZINC000841222124 619086995 /nfs/dbraw/zinc/08/69/95/619086995.db2.gz SKHYRGXOTLTZGA-ARJAWSKDSA-N -1 1 293.323 1.508 20 0 CDADMM C[C@H](CN(C(=O)[C@@H]1CCc2nc[nH]c2C1)C1CC1)C(=O)[O-] ZINC000909459532 619335206 /nfs/dbraw/zinc/33/52/06/619335206.db2.gz XWNVLFKZMHCVPX-NXEZZACHSA-N -1 1 291.351 1.226 20 0 CDADMM C[C@H](CNC(=O)c1[nH]nc2c1C[C@H](C)CC2)CC(=O)[O-] ZINC000909485836 619386758 /nfs/dbraw/zinc/38/67/58/619386758.db2.gz CUITXBYKDXTULU-BDAKNGLRSA-N -1 1 279.340 1.375 20 0 CDADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)C1(c2ccccn2)CC1 ZINC000895613352 619757579 /nfs/dbraw/zinc/75/75/79/619757579.db2.gz CHZKXKIPIXLOFA-UHFFFAOYSA-N -1 1 297.240 1.889 20 0 CDADMM C[C@]1(NC(=O)c2[nH]nc3c2CCC3)CCCC[C@H]1C(=O)[O-] ZINC000909538860 620256393 /nfs/dbraw/zinc/25/63/93/620256393.db2.gz UKSFMWMTRLDSFM-BONVTDFDSA-N -1 1 291.351 1.662 20 0 CDADMM CC[C@H]1C[C@H](OC(=O)c2ccc(C(=O)OC)[n-]2)CCO1 ZINC000797047064 620448196 /nfs/dbraw/zinc/44/81/96/620448196.db2.gz AADAZCHLYYHZRW-VHSXEESVSA-N -1 1 281.308 1.916 20 0 CDADMM O=C([O-])[C@H]1CCCN1C(=O)c1n[nH]cc1C(F)(F)F ZINC000909614580 620511640 /nfs/dbraw/zinc/51/16/40/620511640.db2.gz VXHUDZQYQWMTQQ-ZCFIWIBFSA-N -1 1 277.202 1.118 20 0 CDADMM CC(C)CC[C@H](C)NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000035084060 620835233 /nfs/dbraw/zinc/83/52/33/620835233.db2.gz NETAYZCPSJDLSY-STQMWFEESA-N -1 1 284.400 1.724 20 0 CDADMM COC(C)(C)C(=O)Nc1cc(C(=O)OC(C)(C)C)[nH]n1 ZINC000898098422 621333688 /nfs/dbraw/zinc/33/36/88/621333688.db2.gz YIGZQXLPFXQSJR-UHFFFAOYSA-N -1 1 283.328 1.729 20 0 CDADMM Cc1cc(NC(=O)CO[N-]C(=O)CC(C)(C)C)no1 ZINC000842059586 621628713 /nfs/dbraw/zinc/62/87/13/621628713.db2.gz ACPGITIRZIPNCF-UHFFFAOYSA-N -1 1 269.301 1.406 20 0 CDADMM CCC[C@H]1CCC[C@H]1C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898755199 621860495 /nfs/dbraw/zinc/86/04/95/621860495.db2.gz NZQXFUNYGHJQFF-VHSXEESVSA-N -1 1 279.340 1.720 20 0 CDADMM O=C(C(=O)N1CCC[C@H]1c1nc[nH]n1)c1ccc([O-])cc1 ZINC000899106683 622049763 /nfs/dbraw/zinc/04/97/63/622049763.db2.gz KVBGPEANPRAFKG-NSHDSACASA-N -1 1 286.291 1.057 20 0 CDADMM O=C(N[C@H](CO)C[C@H]1CCCO1)c1ccc([O-])cc1F ZINC000899290257 622158676 /nfs/dbraw/zinc/15/86/76/622158676.db2.gz QVOVGUHBCZDNPK-GXSJLCMTSA-N -1 1 283.299 1.191 20 0 CDADMM COc1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cn1 ZINC000899931505 622546829 /nfs/dbraw/zinc/54/68/29/622546829.db2.gz RLXUANLWOJXTHZ-UHFFFAOYSA-N -1 1 286.291 1.716 20 0 CDADMM CCN(C[C@H]1CCCO1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900341086 622888196 /nfs/dbraw/zinc/88/81/96/622888196.db2.gz ZRNFSIBCJBIVKN-LLVKDONJSA-N -1 1 291.351 1.701 20 0 CDADMM NC(=O)[C@@H]1C[C@@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000901162407 623943327 /nfs/dbraw/zinc/94/33/27/623943327.db2.gz LBWVOHUWLLOICG-RQJHMYQMSA-N -1 1 254.673 1.106 20 0 CDADMM O=C(NN1CCCCC1)c1cnc(C2CC2)[n-]c1=O ZINC000901223419 624048766 /nfs/dbraw/zinc/04/87/66/624048766.db2.gz INICRGUWBWBLIP-UHFFFAOYSA-N -1 1 262.313 1.190 20 0 CDADMM O=C([O-])[C@H]1CCCN(Cc2ccnn2CC2CC2)C1 ZINC000901416601 624229156 /nfs/dbraw/zinc/22/91/56/624229156.db2.gz VTFMQMUWHQZMDO-LBPRGKRZSA-N -1 1 263.341 1.590 20 0 CDADMM CC(C)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(=O)[O-] ZINC000901462200 624280022 /nfs/dbraw/zinc/28/00/22/624280022.db2.gz RUQPZIXQQQTPID-OPRDCNLKSA-N -1 1 265.313 1.129 20 0 CDADMM C[C@H](C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)N(C)C ZINC000901571012 624354587 /nfs/dbraw/zinc/35/45/87/624354587.db2.gz VFLSFMXLNXUHTD-TZMCWYRMSA-N -1 1 292.379 1.529 20 0 CDADMM CO[C@H](CN[C@H](C(=O)[O-])c1cccs1)C1CC1 ZINC000901597006 624364389 /nfs/dbraw/zinc/36/43/89/624364389.db2.gz CRPDPDBUYVXWMM-KOLCDFICSA-N -1 1 255.339 1.888 20 0 CDADMM C[C@H](C(=O)[O-])N(C(=O)c1cccc2[nH]cnc21)C1CC1 ZINC000901640441 624385677 /nfs/dbraw/zinc/38/56/77/624385677.db2.gz VQZHYEVDLJUNMP-MRVPVSSYSA-N -1 1 273.292 1.641 20 0 CDADMM Cc1oc(C(=O)[O-])cc1CN1CCOCC2(CC2)C1 ZINC000902435720 624807565 /nfs/dbraw/zinc/80/75/65/624807565.db2.gz DFHGRRBEVUFHPP-UHFFFAOYSA-N -1 1 265.309 1.899 20 0 CDADMM CC(C)[C@H]1CN(C(=O)C2(C(=O)[O-])CC=CC2)CCN1C ZINC000902489226 624897471 /nfs/dbraw/zinc/89/74/71/624897471.db2.gz LWQQYSZGEPEQSB-GFCCVEGCSA-N -1 1 280.368 1.206 20 0 CDADMM CN(CC(=O)Nc1cc(C(=O)[O-])n[nH]1)CC(C)(C)C ZINC000902676454 625165898 /nfs/dbraw/zinc/16/58/98/625165898.db2.gz NCYLAYLTKJLAQY-UHFFFAOYSA-N -1 1 268.317 1.024 20 0 CDADMM CCN(C)[C@@H](C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000902663120 625176901 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Cc1cc(N[C@@H](CO)CCC(C)C)nc(-c2nn[n-]n2)c1 ZINC001605721511 1163650222 /nfs/dbraw/zinc/65/02/22/1163650222.db2.gz YEMADMKLBDCEAW-LLVKDONJSA-N -1 1 290.371 1.779 20 0 CDADMM Cc1cc(N[C@@H]2CO[C@@H](C)C2)nc(-c2nnn[n-]2)c1 ZINC001605724420 1163652201 /nfs/dbraw/zinc/65/22/01/1163652201.db2.gz WVURPKXPBAJICW-IUCAKERBSA-N -1 1 260.301 1.159 20 0 CDADMM Cc1cc(N[C@@H]2CO[C@@H](C)C2)nc(-c2nn[n-]n2)c1 ZINC001605724420 1163652206 /nfs/dbraw/zinc/65/22/06/1163652206.db2.gz WVURPKXPBAJICW-IUCAKERBSA-N -1 1 260.301 1.159 20 0 CDADMM CCc1nc(NC(=O)Cc2n[nH]c(C)n2)sc1C(=O)[O-] ZINC001605854498 1163690760 /nfs/dbraw/zinc/69/07/60/1163690760.db2.gz AIYSZSUGCKSCLY-UHFFFAOYSA-N -1 1 295.324 1.011 20 0 CDADMM Cc1ccc(N2CC[C@@H]3COC[C@H]3C2)nc1-c1nnn[n-]1 ZINC001605865282 1163696243 /nfs/dbraw/zinc/69/62/43/1163696243.db2.gz UYJDFOSILJQQHA-GHMZBOCLSA-N -1 1 286.339 1.043 20 0 CDADMM Cc1ccc(N2CC[C@@H]3COC[C@H]3C2)nc1-c1nn[n-]n1 ZINC001605865282 1163696248 /nfs/dbraw/zinc/69/62/48/1163696248.db2.gz UYJDFOSILJQQHA-GHMZBOCLSA-N -1 1 286.339 1.043 20 0 CDADMM Cc1ccc(N2C[C@@H](C)C[C@H](CO)C2)nc1-c1nnn[n-]1 ZINC001605864450 1163696633 /nfs/dbraw/zinc/69/66/33/1163696633.db2.gz DLQGQYYWRLUHHC-ONGXEEELSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1ccc(N2C[C@@H](C)C[C@H](CO)C2)nc1-c1nn[n-]n1 ZINC001605864450 1163696637 /nfs/dbraw/zinc/69/66/37/1163696637.db2.gz DLQGQYYWRLUHHC-ONGXEEELSA-N -1 1 288.355 1.025 20 0 CDADMM CCc1oc(C(=O)[O-])cc1C[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC001605883074 1163705992 /nfs/dbraw/zinc/70/59/92/1163705992.db2.gz HKAFHMOLYCACJK-GXSJLCMTSA-N -1 1 267.325 1.743 20 0 CDADMM Cc1nc(CCn2cccc(-c3nn[n-]n3)c2=O)cs1 ZINC001606042328 1163754566 /nfs/dbraw/zinc/75/45/66/1163754566.db2.gz VDZIURPDUUMCJY-UHFFFAOYSA-N -1 1 288.336 1.036 20 0 CDADMM Cc1nsc(NCCc2[nH+]ccn2C)c1-c1nn[nH]n1 ZINC001606160875 1163791331 /nfs/dbraw/zinc/79/13/31/1163791331.db2.gz CAYXREDIACPTHP-UHFFFAOYSA-N -1 1 290.356 1.020 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1n[nH]cc1C1CC1 ZINC001606168931 1163796802 /nfs/dbraw/zinc/79/68/02/1163796802.db2.gz BWLIYFDLRBWIOB-UHFFFAOYSA-N -1 1 299.294 1.621 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1n[nH]cc1C1CC1 ZINC001606168931 1163796809 /nfs/dbraw/zinc/79/68/09/1163796809.db2.gz BWLIYFDLRBWIOB-UHFFFAOYSA-N -1 1 299.294 1.621 20 0 CDADMM FCCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001606303115 1163850052 /nfs/dbraw/zinc/85/00/52/1163850052.db2.gz UYTICZQBGGZNIW-UHFFFAOYSA-N -1 1 277.307 1.233 20 0 CDADMM FCCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001606303115 1163850054 /nfs/dbraw/zinc/85/00/54/1163850054.db2.gz UYTICZQBGGZNIW-UHFFFAOYSA-N -1 1 277.307 1.233 20 0 CDADMM Fc1ccccc1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001606335422 1163866201 /nfs/dbraw/zinc/86/62/01/1163866201.db2.gz FUUHTOOVDIICDU-UHFFFAOYSA-N -1 1 259.248 1.341 20 0 CDADMM Fc1ccccc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001606335422 1163866205 /nfs/dbraw/zinc/86/62/05/1163866205.db2.gz FUUHTOOVDIICDU-UHFFFAOYSA-N -1 1 259.248 1.341 20 0 CDADMM O=C(NC[C@@H]1CCCC12CC2)c1cccc(-c2nnn[n-]2)n1 ZINC001606726844 1163972714 /nfs/dbraw/zinc/97/27/14/1163972714.db2.gz JTERJJMTJOIRJV-JTQLQIEISA-N -1 1 298.350 1.572 20 0 CDADMM O=C(NC[C@@H]1CCCC12CC2)c1cccc(-c2nn[n-]n2)n1 ZINC001606726844 1163972720 /nfs/dbraw/zinc/97/27/20/1163972720.db2.gz JTERJJMTJOIRJV-JTQLQIEISA-N -1 1 298.350 1.572 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)C1(F)CCCC1 ZINC001606831579 1164006201 /nfs/dbraw/zinc/00/62/01/1164006201.db2.gz PNKMECKFURJKMV-UHFFFAOYSA-N -1 1 295.343 1.827 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1nccs1 ZINC001606897574 1164027267 /nfs/dbraw/zinc/02/72/67/1164027267.db2.gz OOUOSTWGZJGAJV-UHFFFAOYSA-N -1 1 288.292 1.281 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)C1CC2(CC2)C1 ZINC001606982327 1164048201 /nfs/dbraw/zinc/04/82/01/1164048201.db2.gz MJTRPYRMABYZCZ-UHFFFAOYSA-N -1 1 285.307 1.495 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)C1CC2(CC2)C1 ZINC001606982327 1164048206 /nfs/dbraw/zinc/04/82/06/1164048206.db2.gz MJTRPYRMABYZCZ-UHFFFAOYSA-N -1 1 285.307 1.495 20 0 CDADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)C1CC=CC1 ZINC001606985129 1164049521 /nfs/dbraw/zinc/04/95/21/1164049521.db2.gz JCEZHMKWZAPUMW-UHFFFAOYSA-N -1 1 277.309 1.333 20 0 CDADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)C1CC=CC1 ZINC001606985129 1164049524 /nfs/dbraw/zinc/04/95/24/1164049524.db2.gz JCEZHMKWZAPUMW-UHFFFAOYSA-N -1 1 277.309 1.333 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N(CC(F)F)C1CCC1 ZINC001607016925 1164060201 /nfs/dbraw/zinc/06/02/01/1164060201.db2.gz HIVBRVVECHYKRH-UHFFFAOYSA-N -1 1 297.265 1.720 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N(CC(F)F)C1CCC1 ZINC001607016925 1164060209 /nfs/dbraw/zinc/06/02/09/1164060209.db2.gz HIVBRVVECHYKRH-UHFFFAOYSA-N -1 1 297.265 1.720 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCc2cc(F)ccc21 ZINC001607017303 1164061025 /nfs/dbraw/zinc/06/10/25/1164061025.db2.gz OKTVHKZLQCIBDE-UHFFFAOYSA-N -1 1 299.265 1.802 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCCc2occc2C1 ZINC001607016660 1164061109 /nfs/dbraw/zinc/06/11/09/1164061109.db2.gz CMQONRUNHOQSAY-UHFFFAOYSA-N -1 1 299.290 1.641 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCCc2occc2C1 ZINC001607016660 1164061117 /nfs/dbraw/zinc/06/11/17/1164061117.db2.gz CMQONRUNHOQSAY-UHFFFAOYSA-N -1 1 299.290 1.641 20 0 CDADMM c1cc(CNCc2nc(-c3nnn[n-]3)cs2)co1 ZINC001607119264 1164101549 /nfs/dbraw/zinc/10/15/49/1164101549.db2.gz XDSPOVRDQWKFGP-UHFFFAOYSA-N -1 1 262.298 1.206 20 0 CDADMM c1cc(CNCc2nc(-c3nn[n-]n3)cs2)co1 ZINC001607119264 1164101554 /nfs/dbraw/zinc/10/15/54/1164101554.db2.gz XDSPOVRDQWKFGP-UHFFFAOYSA-N -1 1 262.298 1.206 20 0 CDADMM c1nc2c(s1)CN(c1ccnc(-c3nnn[n-]3)c1)CC2 ZINC001607120224 1164103429 /nfs/dbraw/zinc/10/34/29/1164103429.db2.gz VMCFCVGZEVFYSP-UHFFFAOYSA-N -1 1 285.336 1.281 20 0 CDADMM c1nc2c(s1)CN(c1ccnc(-c3nn[n-]n3)c1)CC2 ZINC001607120224 1164103431 /nfs/dbraw/zinc/10/34/31/1164103431.db2.gz VMCFCVGZEVFYSP-UHFFFAOYSA-N -1 1 285.336 1.281 20 0 CDADMM c1ccc2c(c1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001607132524 1164111301 /nfs/dbraw/zinc/11/13/01/1164111301.db2.gz LPPXOCSKLRLFAY-UHFFFAOYSA-N -1 1 293.334 1.610 20 0 CDADMM c1cn2ncc(-c3nn[n-]n3)c2n1CC1CCCCC1 ZINC001607137457 1164115954 /nfs/dbraw/zinc/11/59/54/1164115954.db2.gz AUHCVJNQTVBIKH-UHFFFAOYSA-N -1 1 271.328 1.896 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NC[C@@H]1CCC[C@H]1C1CC1 ZINC001607136982 1164116375 /nfs/dbraw/zinc/11/63/75/1164116375.db2.gz XUBYTGQFXVVDMC-QWRGUYRKSA-N -1 1 285.355 1.895 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NC[C@@H]1CCC[C@H]1C1CC1 ZINC001607136982 1164116379 /nfs/dbraw/zinc/11/63/79/1164116379.db2.gz XUBYTGQFXVVDMC-QWRGUYRKSA-N -1 1 285.355 1.895 20 0 CDADMM C[C@H](NC(=O)[C@H](C)N[C@H]1CCc2c1cccc2F)C(=O)[O-] ZINC001607460038 1164189889 /nfs/dbraw/zinc/18/98/89/1164189889.db2.gz PTNFQHWMTNHFIP-RVBZMBCESA-N -1 1 294.326 1.380 20 0 CDADMM Cc1cc(C(=O)[O-])nc(Nc2cnn(-c3ccncc3)c2)n1 ZINC001607601748 1164235100 /nfs/dbraw/zinc/23/51/00/1164235100.db2.gz JRQKRDMSEBKHGD-UHFFFAOYSA-N -1 1 296.290 1.808 20 0 CDADMM Cc1cc(CNCC2(C)OCCCO2)oc1C(=O)[O-] ZINC001607649865 1164258702 /nfs/dbraw/zinc/25/87/02/1164258702.db2.gz ZTDQUDBAWLSVIX-UHFFFAOYSA-N -1 1 269.297 1.529 20 0 CDADMM Cc1cccc([C@@H]2CCN(Cn3cc(C(=O)[O-])nn3)C2)c1 ZINC001607846623 1164311483 /nfs/dbraw/zinc/31/14/83/1164311483.db2.gz COXHWGHSDKDUNL-CYBMUJFWSA-N -1 1 286.335 1.732 20 0 CDADMM Cc1nc([C@H](C)NC(=O)c2ccc(C(=O)[O-])cc2F)n[nH]1 ZINC001608012988 1164374772 /nfs/dbraw/zinc/37/47/72/1164374772.db2.gz MBJBYNWVTNWWGF-LURJTMIESA-N -1 1 292.270 1.441 20 0 CDADMM NCc1cc(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])co1 ZINC001608256539 1164471330 /nfs/dbraw/zinc/47/13/30/1164471330.db2.gz ADQRXJFXLXWUPC-LLVKDONJSA-N -1 1 294.351 1.749 20 0 CDADMM O=C([O-])c1sccc1C(=O)Nc1cccc2[nH]nnc21 ZINC001608519284 1164530050 /nfs/dbraw/zinc/53/00/50/1164530050.db2.gz LZUYCNPILFBXBL-UHFFFAOYSA-N -1 1 288.288 1.970 20 0 CDADMM O=C([O-])[C@H](NCC(=O)N1CCCCC1)C1CCCCC1 ZINC001608546855 1164540864 /nfs/dbraw/zinc/54/08/64/1164540864.db2.gz PJMRLUZKSVLFMU-CQSZACIVSA-N -1 1 282.384 1.622 20 0 CDADMM O=C([O-])CN(C(=O)[C@@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC001608742795 1164625468 /nfs/dbraw/zinc/62/54/68/1164625468.db2.gz COZQYZLJQQUVCE-LLVKDONJSA-N -1 1 299.330 1.632 20 0 CDADMM O=C([O-])c1cc(CN[C@H](CO)CC2CCCCC2)on1 ZINC001608842530 1164659529 /nfs/dbraw/zinc/65/95/29/1164659529.db2.gz CLSCFMISORTGNQ-NSHDSACASA-N -1 1 282.340 1.794 20 0 CDADMM CC(C)(C)C[C@H]1CCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001609074989 1164757353 /nfs/dbraw/zinc/75/73/53/1164757353.db2.gz KWBXJMFIABTGSX-SNVBAGLBSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)(C)C[C@H]1CCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001609074989 1164757361 /nfs/dbraw/zinc/75/73/61/1164757361.db2.gz KWBXJMFIABTGSX-SNVBAGLBSA-N -1 1 287.371 1.919 20 0 CDADMM C[C@H](Cc1ccco1)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609115890 1164775478 /nfs/dbraw/zinc/77/54/78/1164775478.db2.gz PCCXGJZCQVSGHR-MRVPVSSYSA-N -1 1 287.279 1.414 20 0 CDADMM C[C@H](Cc1ccco1)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609115890 1164775483 /nfs/dbraw/zinc/77/54/83/1164775483.db2.gz PCCXGJZCQVSGHR-MRVPVSSYSA-N -1 1 287.279 1.414 20 0 CDADMM C[C@H](CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609111189 1164776096 /nfs/dbraw/zinc/77/60/96/1164776096.db2.gz KGAWPQVHZIGYBI-QMMMGPOBSA-N -1 1 295.368 1.067 20 0 CDADMM C[C@H](CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609111189 1164776105 /nfs/dbraw/zinc/77/61/05/1164776105.db2.gz KGAWPQVHZIGYBI-QMMMGPOBSA-N -1 1 295.368 1.067 20 0 CDADMM CC1(C)CCC[C@@H](Oc2cccnc2-c2nnn[n-]2)C1=O ZINC001609145454 1164794441 /nfs/dbraw/zinc/79/44/41/1164794441.db2.gz OIBHEDJHSLEYJW-SNVBAGLBSA-N -1 1 287.323 1.788 20 0 CDADMM CC1(C)CCC[C@@H](Oc2cccnc2-c2nn[n-]n2)C1=O ZINC001609145454 1164794450 /nfs/dbraw/zinc/79/44/50/1164794450.db2.gz OIBHEDJHSLEYJW-SNVBAGLBSA-N -1 1 287.323 1.788 20 0 CDADMM CO[C@@H]1CCN(c2cc(C)nc(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001609314750 1164896055 /nfs/dbraw/zinc/89/60/55/1164896055.db2.gz RYNWGPKMZSLDPC-TVQRCGJNSA-N -1 1 288.355 1.431 20 0 CDADMM CO[C@@H]1CCN(c2cc(C)nc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001609314750 1164896060 /nfs/dbraw/zinc/89/60/60/1164896060.db2.gz RYNWGPKMZSLDPC-TVQRCGJNSA-N -1 1 288.355 1.431 20 0 CDADMM COC(=O)c1ccc([O-])c(NC(=O)NC(C)C)c1 ZINC001202525165 1164917840 /nfs/dbraw/zinc/91/78/40/1164917840.db2.gz KRLKFKGRMBHNNW-UHFFFAOYSA-N -1 1 252.270 1.709 20 0 CDADMM Cc1[nH]nc(NC(=O)CC2CC(C)(C)C2)c1-c1nn[n-]n1 ZINC001609444413 1164950000 /nfs/dbraw/zinc/95/00/00/1164950000.db2.gz BENAEBQZOUJDNX-UHFFFAOYSA-N -1 1 289.343 1.663 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCCCC1 ZINC001609466913 1164963857 /nfs/dbraw/zinc/96/38/57/1164963857.db2.gz NTTYXDKPLVEMFW-UHFFFAOYSA-N -1 1 261.285 1.394 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCCCC1 ZINC001609466913 1164963862 /nfs/dbraw/zinc/96/38/62/1164963862.db2.gz NTTYXDKPLVEMFW-UHFFFAOYSA-N -1 1 261.285 1.394 20 0 CDADMM Fc1ccccc1COc1cnc(-c2nn[n-]n2)nc1 ZINC001609492596 1164974589 /nfs/dbraw/zinc/97/45/89/1164974589.db2.gz NURBRLOEIDFVOV-UHFFFAOYSA-N -1 1 272.243 1.375 20 0 CDADMM O=C(COC(=O)c1csc(-c2nnn[n-]2)c1)C1CCC1 ZINC001609573701 1164993151 /nfs/dbraw/zinc/99/31/51/1164993151.db2.gz MDWMGZVISFZSDS-UHFFFAOYSA-N -1 1 292.320 1.454 20 0 CDADMM O=C(COC(=O)c1csc(-c2nn[n-]n2)c1)C1CCC1 ZINC001609573701 1164993158 /nfs/dbraw/zinc/99/31/58/1164993158.db2.gz MDWMGZVISFZSDS-UHFFFAOYSA-N -1 1 292.320 1.454 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC001609583819 1164997519 /nfs/dbraw/zinc/99/75/19/1164997519.db2.gz MNTMOJLLEDGFHJ-VXGBXAGGSA-N -1 1 298.350 1.524 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC001609583819 1164997524 /nfs/dbraw/zinc/99/75/24/1164997524.db2.gz MNTMOJLLEDGFHJ-VXGBXAGGSA-N -1 1 298.350 1.524 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCCOCC2CCCC2)c1 ZINC001609619213 1165014711 /nfs/dbraw/zinc/01/47/11/1165014711.db2.gz KALNPRLURWARGV-UHFFFAOYSA-N -1 1 288.355 1.880 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCCOCC2CCCC2)c1 ZINC001609619213 1165014713 /nfs/dbraw/zinc/01/47/13/1165014713.db2.gz KALNPRLURWARGV-UHFFFAOYSA-N -1 1 288.355 1.880 20 0 CDADMM CCCCC(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F ZINC000869314240 1165050297 /nfs/dbraw/zinc/05/02/97/1165050297.db2.gz ONSZAEPANNUKOB-UHFFFAOYSA-N -1 1 283.246 1.358 20 0 CDADMM C[C@@H](N[C@H](C(=O)[O-])C1CC1)C(=O)NCCC1=CCCCC1 ZINC001609773663 1165074570 /nfs/dbraw/zinc/07/45/70/1165074570.db2.gz HPAANILYGAUMKE-RISCZKNCSA-N -1 1 294.395 1.834 20 0 CDADMM C[C@@H]1[C@H](C(=O)[O-])CCN1CN1C[C@H](CC(C)(C)C)OC1=O ZINC001609834810 1165103709 /nfs/dbraw/zinc/10/37/09/1165103709.db2.gz QUYXKMQVVQIVFI-GRYCIOLGSA-N -1 1 298.383 1.996 20 0 CDADMM C[C@@H]1CN(Cc2ccccc2C(=O)[O-])C[C@]2(CCOC2)O1 ZINC001609871201 1165123110 /nfs/dbraw/zinc/12/31/10/1165123110.db2.gz VFKIVFBFKIZPLL-WBMJQRKESA-N -1 1 291.347 1.765 20 0 CDADMM O=C([O-])C1(COC(=O)c2cc(-c3ccco3)n[nH]2)CC1 ZINC001610877791 1165471763 /nfs/dbraw/zinc/47/17/63/1165471763.db2.gz CJINKHZRRNMCEV-UHFFFAOYSA-N -1 1 276.248 1.691 20 0 CDADMM O=C(Nc1nnn[n-]1)c1ccnc(-c2ccco2)c1 ZINC001618460350 1165632384 /nfs/dbraw/zinc/63/23/84/1165632384.db2.gz RPEBHHPIEKPZOI-UHFFFAOYSA-N -1 1 256.225 1.107 20 0 CDADMM O=C(Nc1nn[n-]n1)c1ccnc(-c2ccco2)c1 ZINC001618460350 1165632391 /nfs/dbraw/zinc/63/23/91/1165632391.db2.gz RPEBHHPIEKPZOI-UHFFFAOYSA-N -1 1 256.225 1.107 20 0 CDADMM O=C(CCc1cccc2ccccc21)Nc1nnn[n-]1 ZINC001618460134 1165632754 /nfs/dbraw/zinc/63/27/54/1165632754.db2.gz OELGGVHYUOSYRC-UHFFFAOYSA-N -1 1 267.292 1.924 20 0 CDADMM O=C(CCc1cccc2ccccc21)Nc1nn[n-]n1 ZINC001618460134 1165632756 /nfs/dbraw/zinc/63/27/56/1165632756.db2.gz OELGGVHYUOSYRC-UHFFFAOYSA-N -1 1 267.292 1.924 20 0 CDADMM O=C(Nc1nnc2nc[nH]n21)c1ccc2ccccc2c1[O-] ZINC001625541335 1165914312 /nfs/dbraw/zinc/91/43/12/1165914312.db2.gz XJAQKFASOIQBAX-UHFFFAOYSA-N -1 1 294.274 1.564 20 0 CDADMM O=C(c1n[nH]c2ccccc21)N1CCC(c2nn[n-]n2)CC1 ZINC001632650984 1166365576 /nfs/dbraw/zinc/36/55/76/1166365576.db2.gz NRHRHEOBOOMETR-UHFFFAOYSA-N -1 1 297.322 1.096 20 0 CDADMM O=C(Nc1ccc(-n2cnnc2)cc1)c1ccc([O-])cn1 ZINC001633944973 1166461356 /nfs/dbraw/zinc/46/13/56/1166461356.db2.gz SSHNVISZOZVYDQ-UHFFFAOYSA-N -1 1 281.275 1.620 20 0 CDADMM O=C(Nc1ccncc1[O-])c1cn(-c2ccccc2)cn1 ZINC001638304378 1166837558 /nfs/dbraw/zinc/83/75/58/1166837558.db2.gz NHIYNGQVGHZVHY-UHFFFAOYSA-N -1 1 280.287 1.647 20 0 CDADMM CC1N=NC(C(=O)Nc2cccc(-c3cn(C)nn3)c2)=C1[O-] ZINC001640930080 1167061262 /nfs/dbraw/zinc/06/12/62/1167061262.db2.gz GIFZFJCPVXYJEC-UHFFFAOYSA-N -1 1 298.306 1.472 20 0 CDADMM O=C(c1c[nH]cc1C1CC1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001646984850 1168324926 /nfs/dbraw/zinc/32/49/26/1168324926.db2.gz UBERAFFEDVZIBS-SECBINFHSA-N -1 1 272.312 1.035 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(=O)n(C)c2ccccc12 ZINC001569836368 1170013017 /nfs/dbraw/zinc/01/30/17/1170013017.db2.gz SCYUDHACWGQYQY-UHFFFAOYSA-N -1 1 298.302 1.528 20 0 CDADMM CN(C(=O)[O-])C1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001573853238 1170805971 /nfs/dbraw/zinc/80/59/71/1170805971.db2.gz XFWBXMKQBNJZJE-GHMZBOCLSA-N -1 1 292.339 1.114 20 0 CDADMM Cc1cc(CCC(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)n[nH]1 ZINC001574136273 1170894597 /nfs/dbraw/zinc/89/45/97/1170894597.db2.gz ZHIJIKUCICIROX-OAHLLOKOSA-N -1 1 293.367 1.610 20 0 CDADMM CCn1c(-c2c[n-][nH]c2=O)nnc1N(C)CCC(C)C ZINC001650315680 1170936820 /nfs/dbraw/zinc/93/68/20/1170936820.db2.gz ZMYPZVFFYZRUPX-UHFFFAOYSA-N -1 1 278.360 1.876 20 0 CDADMM O=C([N-]c1nc(-c2ccccc2)no1)c1cccnn1 ZINC001650761629 1171256184 /nfs/dbraw/zinc/25/61/84/1171256184.db2.gz SBXLGRAZOFJBIL-UHFFFAOYSA-N -1 1 267.248 1.779 20 0 CDADMM CC(C)Oc1ccc(C(=O)Nc2c[n-][nH]c2=O)cn1 ZINC001651044455 1171282185 /nfs/dbraw/zinc/28/21/85/1171282185.db2.gz JXIRXKPMYXJLLI-UHFFFAOYSA-N -1 1 262.269 1.550 20 0 CDADMM O=c1nc(NCCc2cnccn2)cc(Cl)[n-]1 ZINC001651695413 1171347813 /nfs/dbraw/zinc/34/78/13/1171347813.db2.gz JHEJHLYVYONMRN-UHFFFAOYSA-N -1 1 251.677 1.280 20 0 CDADMM CNc1nnc(SCc2ccc(-c3nnn[n-]3)o2)s1 ZINC001579431448 1172176627 /nfs/dbraw/zinc/17/66/27/1172176627.db2.gz CFBZMBHCAMLWFG-UHFFFAOYSA-N -1 1 295.353 1.645 20 0 CDADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2ncccc2C)c1 ZINC001580608494 1172480682 /nfs/dbraw/zinc/48/06/82/1172480682.db2.gz CULSFIALKJBNRA-UHFFFAOYSA-N -1 1 282.307 1.089 20 0 CDADMM O=C(NCc1nccs1)c1csc(-c2nn[n-]n2)c1 ZINC001582559103 1172682103 /nfs/dbraw/zinc/68/21/03/1172682103.db2.gz ALUGZIJHXYIBLO-UHFFFAOYSA-N -1 1 292.349 1.315 20 0 CDADMM c1cn2ncc(-c3nn[n-]n3)c2n1C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001588387058 1173059015 /nfs/dbraw/zinc/05/90/15/1173059015.db2.gz RTNRKZGTTDVBCK-HBNTYKKESA-N -1 1 281.323 1.528 20 0 CDADMM C1=CCC(CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588389146 1173059024 /nfs/dbraw/zinc/05/90/24/1173059024.db2.gz PJMPTIXTHIMXFH-UHFFFAOYSA-N -1 1 257.301 1.425 20 0 CDADMM C1=CCC(CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588389146 1173059028 /nfs/dbraw/zinc/05/90/28/1173059028.db2.gz PJMPTIXTHIMXFH-UHFFFAOYSA-N -1 1 257.301 1.425 20 0 CDADMM CC(=Cc1ccco1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001588772492 1173105947 /nfs/dbraw/zinc/10/59/47/1173105947.db2.gz PVXNEBRPXCSVRC-CMDGGOBGSA-N -1 1 296.290 1.897 20 0 CDADMM CC(=Cc1ccco1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001588772492 1173105959 /nfs/dbraw/zinc/10/59/59/1173105959.db2.gz PVXNEBRPXCSVRC-CMDGGOBGSA-N -1 1 296.290 1.897 20 0 CDADMM CC(C)(C)[C@H]1CCN1c1cccc(-c2nnn[n-]2)n1 ZINC001589105769 1173124391 /nfs/dbraw/zinc/12/43/91/1173124391.db2.gz YCBRBGRVZCQUJW-SNVBAGLBSA-N -1 1 258.329 1.887 20 0 CDADMM CC(C)(C)[C@H]1CCN1c1cccc(-c2nn[n-]n2)n1 ZINC001589105769 1173124396 /nfs/dbraw/zinc/12/43/96/1173124396.db2.gz YCBRBGRVZCQUJW-SNVBAGLBSA-N -1 1 258.329 1.887 20 0 CDADMM CC(C)(C)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001589100016 1173124989 /nfs/dbraw/zinc/12/49/89/1173124989.db2.gz WTSDVBZCNKJPIU-UHFFFAOYSA-N -1 1 273.344 1.893 20 0 CDADMM CC(C)(CCCO)CNc1cccnc1-c1nnn[n-]1 ZINC001589276549 1173133333 /nfs/dbraw/zinc/13/33/33/1173133333.db2.gz RNQWFKNKRPFYER-UHFFFAOYSA-N -1 1 276.344 1.472 20 0 CDADMM CC(C)(CCCO)CNc1cccnc1-c1nn[n-]n1 ZINC001589276549 1173133338 /nfs/dbraw/zinc/13/33/38/1173133338.db2.gz RNQWFKNKRPFYER-UHFFFAOYSA-N -1 1 276.344 1.472 20 0 CDADMM CC(C)(F)C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001589312820 1173136555 /nfs/dbraw/zinc/13/65/55/1173136555.db2.gz UJKADQMPXYVHHI-UHFFFAOYSA-N -1 1 270.289 1.720 20 0 CDADMM CC(C)C(NC(=O)c1ccc(-c2nnn[n-]2)o1)C(C)C ZINC001589471991 1173145849 /nfs/dbraw/zinc/14/58/49/1173145849.db2.gz JIKBPBSBYWAOKI-UHFFFAOYSA-N -1 1 277.328 1.870 20 0 CDADMM CC(C)C(NC(=O)c1ccc(-c2nn[n-]n2)o1)C(C)C ZINC001589471991 1173145855 /nfs/dbraw/zinc/14/58/55/1173145855.db2.gz JIKBPBSBYWAOKI-UHFFFAOYSA-N -1 1 277.328 1.870 20 0 CDADMM C[C@@H](C[C@H]1CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589804138 1173183285 /nfs/dbraw/zinc/18/32/85/1173183285.db2.gz XFFBHUDIVWMRRK-DTWKUNHWSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@@H](C[C@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589804138 1173183291 /nfs/dbraw/zinc/18/32/91/1173183291.db2.gz XFFBHUDIVWMRRK-DTWKUNHWSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@@H](COc1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001589887298 1173196792 /nfs/dbraw/zinc/19/67/92/1173196792.db2.gz ULJWKRPIENTXLN-JTQLQIEISA-N -1 1 297.322 1.536 20 0 CDADMM C[C@@H](COc1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001589887298 1173196794 /nfs/dbraw/zinc/19/67/94/1173196794.db2.gz ULJWKRPIENTXLN-JTQLQIEISA-N -1 1 297.322 1.536 20 0 CDADMM C[C@H](O)CCSCc1ccnc(-c2nnn[n-]2)c1 ZINC001589998940 1173230685 /nfs/dbraw/zinc/23/06/85/1173230685.db2.gz NQYFNVBVWQDAAI-QMMMGPOBSA-N -1 1 265.342 1.266 20 0 CDADMM C[C@H](O)CCSCc1ccnc(-c2nn[n-]n2)c1 ZINC001589998940 1173230692 /nfs/dbraw/zinc/23/06/92/1173230692.db2.gz NQYFNVBVWQDAAI-QMMMGPOBSA-N -1 1 265.342 1.266 20 0 CDADMM CC1(C)C[C@H](O)CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590086307 1173250925 /nfs/dbraw/zinc/25/09/25/1173250925.db2.gz ZQKQNNSJBZBEHM-SNVBAGLBSA-N -1 1 288.355 1.249 20 0 CDADMM CC1(C)C[C@H](O)CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590086307 1173250926 /nfs/dbraw/zinc/25/09/26/1173250926.db2.gz ZQKQNNSJBZBEHM-SNVBAGLBSA-N -1 1 288.355 1.249 20 0 CDADMM C[C@@H]1CC(C)(C)CN1c1nccnc1-c1nnn[n-]1 ZINC001590191893 1173288463 /nfs/dbraw/zinc/28/84/63/1173288463.db2.gz KDMFNDDPPSHFFB-MRVPVSSYSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@@H]1CC(C)(C)CN1c1nccnc1-c1nn[n-]n1 ZINC001590191893 1173288468 /nfs/dbraw/zinc/28/84/68/1173288468.db2.gz KDMFNDDPPSHFFB-MRVPVSSYSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@@H]1C[C@H]1c1noc(Cc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001590217161 1173296075 /nfs/dbraw/zinc/29/60/75/1173296075.db2.gz AFDMYSRSOOUFGK-VXNVDRBHSA-N -1 1 283.295 1.359 20 0 CDADMM C[C@@H]1C[C@H]1c1noc(Cc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001590217161 1173296081 /nfs/dbraw/zinc/29/60/81/1173296081.db2.gz AFDMYSRSOOUFGK-VXNVDRBHSA-N -1 1 283.295 1.359 20 0 CDADMM C[C@H]1CC[C@H](C)N(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590227829 1173303532 /nfs/dbraw/zinc/30/35/32/1173303532.db2.gz RYVBJAAXUBHWOF-IUCAKERBSA-N -1 1 275.312 1.720 20 0 CDADMM C[C@H]1CC[C@H](C)N(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590227829 1173303525 /nfs/dbraw/zinc/30/35/25/1173303525.db2.gz RYVBJAAXUBHWOF-IUCAKERBSA-N -1 1 275.312 1.720 20 0 CDADMM C[C@H]1CCC[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590244823 1173318384 /nfs/dbraw/zinc/31/83/84/1173318384.db2.gz RRMFTIOSCADCDD-VHSXEESVSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@H]1CCC[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590244823 1173318392 /nfs/dbraw/zinc/31/83/92/1173318392.db2.gz RRMFTIOSCADCDD-VHSXEESVSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@@H]1CCCCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590255068 1173323761 /nfs/dbraw/zinc/32/37/61/1173323761.db2.gz PTVAQRNDLXMCCG-SNVBAGLBSA-N -1 1 286.339 1.524 20 0 CDADMM C[C@@H]1CCCCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590255068 1173323766 /nfs/dbraw/zinc/32/37/66/1173323766.db2.gz PTVAQRNDLXMCCG-SNVBAGLBSA-N -1 1 286.339 1.524 20 0 CDADMM C[C@@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001590294992 1173338720 /nfs/dbraw/zinc/33/87/20/1173338720.db2.gz ZMIKGQYHPQOJKL-HTQZYQBOSA-N -1 1 273.300 1.134 20 0 CDADMM C[C@@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001590294992 1173338726 /nfs/dbraw/zinc/33/87/26/1173338726.db2.gz ZMIKGQYHPQOJKL-HTQZYQBOSA-N -1 1 273.300 1.134 20 0 CDADMM C[C@@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)[C@@H]1C ZINC001590308219 1173342337 /nfs/dbraw/zinc/34/23/37/1173342337.db2.gz FZNILOPLVKRZTI-RNFRBKRXSA-N -1 1 250.331 1.163 20 0 CDADMM C[C@@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)[C@@H]1C ZINC001590308219 1173342345 /nfs/dbraw/zinc/34/23/45/1173342345.db2.gz FZNILOPLVKRZTI-RNFRBKRXSA-N -1 1 250.331 1.163 20 0 CDADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCC1(F)F ZINC001590313043 1173346328 /nfs/dbraw/zinc/34/63/28/1173346328.db2.gz SDZVDCRYIXKXSE-SSDOTTSWSA-N -1 1 281.270 1.138 20 0 CDADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCC1(F)F ZINC001590313043 1173346332 /nfs/dbraw/zinc/34/63/32/1173346332.db2.gz SDZVDCRYIXKXSE-SSDOTTSWSA-N -1 1 281.270 1.138 20 0 CDADMM C[C@H]1OCC[C@H]1COc1ccc(F)nc1-c1nnn[n-]1 ZINC001590334982 1173362930 /nfs/dbraw/zinc/36/29/30/1173362930.db2.gz AVUXCDYXGLMQPN-SFYZADRCSA-N -1 1 279.275 1.205 20 0 CDADMM C[C@H]1OCC[C@H]1COc1ccc(F)nc1-c1nn[n-]n1 ZINC001590334982 1173362936 /nfs/dbraw/zinc/36/29/36/1173362936.db2.gz AVUXCDYXGLMQPN-SFYZADRCSA-N -1 1 279.275 1.205 20 0 CDADMM CCC(C)(C)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590371959 1173379702 /nfs/dbraw/zinc/37/97/02/1173379702.db2.gz NABIPKTZQPCHBH-UHFFFAOYSA-N -1 1 292.295 1.622 20 0 CDADMM CCC(C)(C)c1noc(-c2cccc(-c3nnn[n-]3)n2)n1 ZINC001590379814 1173381628 /nfs/dbraw/zinc/38/16/28/1173381628.db2.gz DAVQDGBPCVYDLW-UHFFFAOYSA-N -1 1 285.311 1.999 20 0 CDADMM CCC(C)(C)c1noc(-c2cccc(-c3nn[n-]n3)n2)n1 ZINC001590379814 1173381631 /nfs/dbraw/zinc/38/16/31/1173381631.db2.gz DAVQDGBPCVYDLW-UHFFFAOYSA-N -1 1 285.311 1.999 20 0 CDADMM CC[C@@H](C)[C@@H](OC)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001590403824 1173394163 /nfs/dbraw/zinc/39/41/63/1173394163.db2.gz XBQWBLNMDFNOEG-HTRCEHHLSA-N -1 1 296.356 1.323 20 0 CDADMM CC[C@@H](C)[C@@H](OC)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001590403824 1173394170 /nfs/dbraw/zinc/39/41/70/1173394170.db2.gz XBQWBLNMDFNOEG-HTRCEHHLSA-N -1 1 296.356 1.323 20 0 CDADMM CC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CC1(C)C ZINC001590474154 1173424061 /nfs/dbraw/zinc/42/40/61/1173424061.db2.gz ZASKJXGQTYOOTD-IUCAKERBSA-N -1 1 273.344 1.893 20 0 CDADMM CC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CC1(C)C ZINC001590474154 1173424067 /nfs/dbraw/zinc/42/40/67/1173424067.db2.gz ZASKJXGQTYOOTD-IUCAKERBSA-N -1 1 273.344 1.893 20 0 CDADMM CC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001590506471 1173439489 /nfs/dbraw/zinc/43/94/89/1173439489.db2.gz STMLVTZSYZECJG-IUCAKERBSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001590506471 1173439496 /nfs/dbraw/zinc/43/94/96/1173439496.db2.gz STMLVTZSYZECJG-IUCAKERBSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@H]1CCCC[C@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590510117 1173442104 /nfs/dbraw/zinc/44/21/04/1173442104.db2.gz FIHVKKXTWSRKEG-DTWKUNHWSA-N -1 1 289.343 1.745 20 0 CDADMM CC[C@H]1CCCC[C@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590510117 1173442110 /nfs/dbraw/zinc/44/21/10/1173442110.db2.gz FIHVKKXTWSRKEG-DTWKUNHWSA-N -1 1 289.343 1.745 20 0 CDADMM CCCC1CCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001590572580 1173466102 /nfs/dbraw/zinc/46/61/02/1173466102.db2.gz SFOSXEXNNVJLBX-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM CCCC1CCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001590572580 1173466105 /nfs/dbraw/zinc/46/61/05/1173466105.db2.gz SFOSXEXNNVJLBX-UHFFFAOYSA-N -1 1 273.344 1.673 20 0 CDADMM CCN(CC)C(=S)Sc1nnccc1-c1nn[n-]n1 ZINC001590685657 1173488707 /nfs/dbraw/zinc/48/87/07/1173488707.db2.gz WEKXSAOQDXBBGF-UHFFFAOYSA-N -1 1 295.397 1.376 20 0 CDADMM CCO[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC001590781317 1173506890 /nfs/dbraw/zinc/50/68/90/1173506890.db2.gz RRPFAOHCSQKGSV-NSHDSACASA-N -1 1 292.295 1.318 20 0 CDADMM CCO[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC001590781317 1173506897 /nfs/dbraw/zinc/50/68/97/1173506897.db2.gz RRPFAOHCSQKGSV-NSHDSACASA-N -1 1 292.295 1.318 20 0 CDADMM CCO[C@@]1(C)C[C@H]1Nc1ccc(C)nc1-c1nnn[n-]1 ZINC001590821448 1173522593 /nfs/dbraw/zinc/52/25/93/1173522593.db2.gz OFUDJOABUKLUFA-MFKMUULPSA-N -1 1 274.328 1.550 20 0 CDADMM CCO[C@@]1(C)C[C@H]1Nc1ccc(C)nc1-c1nn[n-]n1 ZINC001590821448 1173522598 /nfs/dbraw/zinc/52/25/98/1173522598.db2.gz OFUDJOABUKLUFA-MFKMUULPSA-N -1 1 274.328 1.550 20 0 CDADMM CCc1cc(CNc2snc(C)c2-c2nn[n-]n2)on1 ZINC001590881718 1173535674 /nfs/dbraw/zinc/53/56/74/1173535674.db2.gz GLSVHFSXHOQIQN-UHFFFAOYSA-N -1 1 291.340 1.794 20 0 CDADMM CCc1ccc(CN(C)c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001590889490 1173536014 /nfs/dbraw/zinc/53/60/14/1173536014.db2.gz PMWZFTQDHVKUQD-UHFFFAOYSA-N -1 1 295.350 1.856 20 0 CDADMM CCc1ccc(CCNc2ncncc2-c2nn[n-]n2)cc1 ZINC001590887861 1173537174 /nfs/dbraw/zinc/53/71/74/1173537174.db2.gz QULGHDXTHHDIAI-UHFFFAOYSA-N -1 1 295.350 1.874 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2[C@@H](C)CC[C@@H]2CC)n1 ZINC001590905065 1173539608 /nfs/dbraw/zinc/53/96/08/1173539608.db2.gz PKSGGRSWTBZARK-UWVGGRQHSA-N -1 1 287.371 1.986 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2[C@@H](C)CC[C@@H]2CC)n1 ZINC001590905065 1173539613 /nfs/dbraw/zinc/53/96/13/1173539613.db2.gz PKSGGRSWTBZARK-UWVGGRQHSA-N -1 1 287.371 1.986 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)CCCF)n1 ZINC001590904290 1173539801 /nfs/dbraw/zinc/53/98/01/1173539801.db2.gz SCBJBCGJYNAKIZ-UHFFFAOYSA-N -1 1 265.296 1.015 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)CCCF)n1 ZINC001590904290 1173539808 /nfs/dbraw/zinc/53/98/08/1173539808.db2.gz SCBJBCGJYNAKIZ-UHFFFAOYSA-N -1 1 265.296 1.015 20 0 CDADMM CCc1cnccc1CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590902070 1173539945 /nfs/dbraw/zinc/53/99/45/1173539945.db2.gz SQRUKBOUQCOREW-UHFFFAOYSA-N -1 1 298.306 1.347 20 0 CDADMM CCc1cnccc1CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590902070 1173539951 /nfs/dbraw/zinc/53/99/51/1173539951.db2.gz SQRUKBOUQCOREW-UHFFFAOYSA-N -1 1 298.306 1.347 20 0 CDADMM CN(C[C@H]1CC=CCC1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591054771 1173567773 /nfs/dbraw/zinc/56/77/73/1173567773.db2.gz PGXRTNPWPWBCCE-JTQLQIEISA-N -1 1 287.323 1.888 20 0 CDADMM CN(C[C@H]1CC=CCC1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591054771 1173567779 /nfs/dbraw/zinc/56/77/79/1173567779.db2.gz PGXRTNPWPWBCCE-JTQLQIEISA-N -1 1 287.323 1.888 20 0 CDADMM CO[C@@H]1C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C12CCC2 ZINC001591350223 1173621829 /nfs/dbraw/zinc/62/18/29/1173621829.db2.gz OTVLJGCCESMIHO-GHMZBOCLSA-N -1 1 286.339 1.631 20 0 CDADMM CO[C@@H]1C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C12CCC2 ZINC001591350223 1173621831 /nfs/dbraw/zinc/62/18/31/1173621831.db2.gz OTVLJGCCESMIHO-GHMZBOCLSA-N -1 1 286.339 1.631 20 0 CDADMM COC1CCC(Nc2cc(-c3nnn[n-]3)nc(C)n2)CC1 ZINC001591351827 1173625872 /nfs/dbraw/zinc/62/58/72/1173625872.db2.gz POIZAPQCKTWBOH-UHFFFAOYSA-N -1 1 289.343 1.335 20 0 CDADMM COC1CCC(Nc2cc(-c3nn[n-]n3)nc(C)n2)CC1 ZINC001591351827 1173625876 /nfs/dbraw/zinc/62/58/76/1173625876.db2.gz POIZAPQCKTWBOH-UHFFFAOYSA-N -1 1 289.343 1.335 20 0 CDADMM COc1ccccc1CN(C)c1cc(-c2nnn[n-]2)ncn1 ZINC001591653639 1173675502 /nfs/dbraw/zinc/67/55/02/1173675502.db2.gz VNPKZWRCPWRZGH-UHFFFAOYSA-N -1 1 297.322 1.302 20 0 CDADMM COc1ccccc1CN(C)c1cc(-c2nn[n-]n2)ncn1 ZINC001591653639 1173675507 /nfs/dbraw/zinc/67/55/07/1173675507.db2.gz VNPKZWRCPWRZGH-UHFFFAOYSA-N -1 1 297.322 1.302 20 0 CDADMM C[C@@H](CC1CCCCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001591719951 1173691405 /nfs/dbraw/zinc/69/14/05/1173691405.db2.gz QUJOLYKFFVRWBS-JTQLQIEISA-N -1 1 287.371 1.849 20 0 CDADMM C[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)c1cccc(O)c1 ZINC001591729689 1173692138 /nfs/dbraw/zinc/69/21/38/1173692138.db2.gz DDBWEHCAYBEZLX-SECBINFHSA-N -1 1 282.307 1.562 20 0 CDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)c1cccc(O)c1 ZINC001591729689 1173692144 /nfs/dbraw/zinc/69/21/44/1173692144.db2.gz DDBWEHCAYBEZLX-SECBINFHSA-N -1 1 282.307 1.562 20 0 CDADMM C[Si](C)(C)COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591779666 1173702042 /nfs/dbraw/zinc/70/20/42/1173702042.db2.gz NWZGXVHJEKMCDH-UHFFFAOYSA-N -1 1 277.360 1.296 20 0 CDADMM C[Si](C)(C)COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591779666 1173702047 /nfs/dbraw/zinc/70/20/47/1173702047.db2.gz NWZGXVHJEKMCDH-UHFFFAOYSA-N -1 1 277.360 1.296 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](CC(C)C)C2)n1 ZINC001591885551 1173739057 /nfs/dbraw/zinc/73/90/57/1173739057.db2.gz RYGLSHXIHVDDBU-NSHDSACASA-N -1 1 287.371 1.838 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](CC(C)C)C2)n1 ZINC001591885551 1173739065 /nfs/dbraw/zinc/73/90/65/1173739065.db2.gz RYGLSHXIHVDDBU-NSHDSACASA-N -1 1 287.371 1.838 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2C(C)(C)C2(F)F)n1 ZINC001591895144 1173741566 /nfs/dbraw/zinc/74/15/66/1173741566.db2.gz UFJKXZCTTRLUOM-MRVPVSSYSA-N -1 1 295.297 1.668 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2C(C)(C)C2(F)F)n1 ZINC001591895144 1173741572 /nfs/dbraw/zinc/74/15/72/1173741572.db2.gz UFJKXZCTTRLUOM-MRVPVSSYSA-N -1 1 295.297 1.668 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCC=C(Cl)Cl)n1 ZINC001591896887 1173743525 /nfs/dbraw/zinc/74/35/25/1173743525.db2.gz RDUCQVZFVBXKTD-UHFFFAOYSA-N -1 1 286.126 1.696 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@]23C[C@H]2CCC3)n1 ZINC001591899392 1173743495 /nfs/dbraw/zinc/74/34/95/1173743495.db2.gz CQOMHCQASGYJLQ-RNCFNFMXSA-N -1 1 271.328 1.567 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@]23C[C@H]2CCC3)n1 ZINC001591899392 1173743501 /nfs/dbraw/zinc/74/35/01/1173743501.db2.gz CQOMHCQASGYJLQ-RNCFNFMXSA-N -1 1 271.328 1.567 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCC=C(Cl)Cl)n1 ZINC001591896887 1173743520 /nfs/dbraw/zinc/74/35/20/1173743520.db2.gz RDUCQVZFVBXKTD-UHFFFAOYSA-N -1 1 286.126 1.696 20 0 CDADMM Cc1cc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)oc1C ZINC001591929253 1173747593 /nfs/dbraw/zinc/74/75/93/1173747593.db2.gz RZYLRSVJXFWZCU-UHFFFAOYSA-N -1 1 298.306 1.402 20 0 CDADMM Cc1cc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)oc1C ZINC001591929253 1173747601 /nfs/dbraw/zinc/74/76/01/1173747601.db2.gz RZYLRSVJXFWZCU-UHFFFAOYSA-N -1 1 298.306 1.402 20 0 CDADMM Cc1cc(C)c(CNC(=O)c2coc(-c3nnn[n-]3)c2)cn1 ZINC001591946173 1173753963 /nfs/dbraw/zinc/75/39/63/1173753963.db2.gz BZMZSDYHZULWJG-UHFFFAOYSA-N -1 1 298.306 1.402 20 0 CDADMM Cc1cc(C)c(CNC(=O)c2coc(-c3nn[n-]n3)c2)cn1 ZINC001591946173 1173753968 /nfs/dbraw/zinc/75/39/68/1173753968.db2.gz BZMZSDYHZULWJG-UHFFFAOYSA-N -1 1 298.306 1.402 20 0 CDADMM Cc1cc(N(C)C(=O)c2coc(-c3nnn[n-]3)c2)ccc1O ZINC001591995144 1173767101 /nfs/dbraw/zinc/76/71/01/1173767101.db2.gz CEGRQNBANWWPAL-UHFFFAOYSA-N -1 1 299.290 1.750 20 0 CDADMM Cc1cc(N(C)C(=O)c2coc(-c3nn[n-]n3)c2)ccc1O ZINC001591995144 1173767104 /nfs/dbraw/zinc/76/71/04/1173767104.db2.gz CEGRQNBANWWPAL-UHFFFAOYSA-N -1 1 299.290 1.750 20 0 CDADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCOCC2(CC2)C1 ZINC001592113341 1173805629 /nfs/dbraw/zinc/80/56/29/1173805629.db2.gz DOUFPIGHIJEPDG-UHFFFAOYSA-N -1 1 286.339 1.187 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCOCC2(CC2)C1 ZINC001592113341 1173805637 /nfs/dbraw/zinc/80/56/37/1173805637.db2.gz DOUFPIGHIJEPDG-UHFFFAOYSA-N -1 1 286.339 1.187 20 0 CDADMM Cc1ccc(CNc2cccc(-c3nnn[n-]3)n2)nc1 ZINC001592166868 1173817284 /nfs/dbraw/zinc/81/72/84/1173817284.db2.gz LKFPPTFRFSZFCX-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1ccc(CNc2cccc(-c3nn[n-]n3)n2)nc1 ZINC001592166868 1173817289 /nfs/dbraw/zinc/81/72/89/1173817289.db2.gz LKFPPTFRFSZFCX-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC001592168210 1173821500 /nfs/dbraw/zinc/82/15/00/1173821500.db2.gz ZPRVKIZWSBFLQW-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC001592168210 1173821504 /nfs/dbraw/zinc/82/15/04/1173821504.db2.gz ZPRVKIZWSBFLQW-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1ccc(N2CCO[C@H](C)[C@@H]2C)nc1-c1nnn[n-]1 ZINC001592175573 1173823731 /nfs/dbraw/zinc/82/37/31/1173823731.db2.gz JRKIIXXPQMJPJS-VHSXEESVSA-N -1 1 274.328 1.184 20 0 CDADMM Cc1ccc(N2CCO[C@H](C)[C@@H]2C)nc1-c1nn[n-]n1 ZINC001592175573 1173823734 /nfs/dbraw/zinc/82/37/34/1173823734.db2.gz JRKIIXXPQMJPJS-VHSXEESVSA-N -1 1 274.328 1.184 20 0 CDADMM Cc1ccc(F)cc1Oc1cnc(-c2nnn[n-]2)cn1 ZINC001592173646 1173824431 /nfs/dbraw/zinc/82/44/31/1173824431.db2.gz YWXMHJINXOQFBJ-UHFFFAOYSA-N -1 1 272.243 1.897 20 0 CDADMM Cc1ccc(F)cc1Oc1cnc(-c2nn[n-]n2)cn1 ZINC001592173646 1173824438 /nfs/dbraw/zinc/82/44/38/1173824438.db2.gz YWXMHJINXOQFBJ-UHFFFAOYSA-N -1 1 272.243 1.897 20 0 CDADMM Cc1ccc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)cn1 ZINC001592181130 1173825214 /nfs/dbraw/zinc/82/52/14/1173825214.db2.gz WEQRTHVGDMNDKO-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1ccc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)cn1 ZINC001592181130 1173825220 /nfs/dbraw/zinc/82/52/20/1173825220.db2.gz WEQRTHVGDMNDKO-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1ccc(NCC2(CO)CCCC2)c(-c2nnn[n-]2)n1 ZINC001592182979 1173825375 /nfs/dbraw/zinc/82/53/75/1173825375.db2.gz HZJWFIVTEZRHLU-UHFFFAOYSA-N -1 1 288.355 1.535 20 0 CDADMM Cc1ccc(NCC2(CO)CCCC2)c(-c2nn[n-]n2)n1 ZINC001592182979 1173825378 /nfs/dbraw/zinc/82/53/78/1173825378.db2.gz HZJWFIVTEZRHLU-UHFFFAOYSA-N -1 1 288.355 1.535 20 0 CDADMM Cc1ccc(N[C@H]2C[C@H](O)C23CCC3)nc1-c1nnn[n-]1 ZINC001592183984 1173827782 /nfs/dbraw/zinc/82/77/82/1173827782.db2.gz NSAAOYZADQFSGG-UWVGGRQHSA-N -1 1 286.339 1.286 20 0 CDADMM Cc1ccc(N[C@H]2C[C@H](O)C23CCC3)nc1-c1nn[n-]n1 ZINC001592183984 1173827787 /nfs/dbraw/zinc/82/77/87/1173827787.db2.gz NSAAOYZADQFSGG-UWVGGRQHSA-N -1 1 286.339 1.286 20 0 CDADMM Cc1ccc(N[C@@H]2COC3(CCC3)C2)c(-c2nnn[n-]2)n1 ZINC001592183202 1173827981 /nfs/dbraw/zinc/82/79/81/1173827981.db2.gz APZBBBLSCIPDMI-JTQLQIEISA-N -1 1 286.339 1.694 20 0 CDADMM Cc1ccc(N[C@@H]2COC3(CCC3)C2)c(-c2nn[n-]n2)n1 ZINC001592183202 1173827982 /nfs/dbraw/zinc/82/79/82/1173827982.db2.gz APZBBBLSCIPDMI-JTQLQIEISA-N -1 1 286.339 1.694 20 0 CDADMM Cc1ccc(N[C@H](C)CC(C)(C)O)c(-c2nnn[n-]2)n1 ZINC001592183971 1173829044 /nfs/dbraw/zinc/82/90/44/1173829044.db2.gz MYTLTXCEQVMCOC-SECBINFHSA-N -1 1 276.344 1.532 20 0 CDADMM Cc1ccc(N[C@H](C)CC(C)(C)O)c(-c2nn[n-]n2)n1 ZINC001592183971 1173829047 /nfs/dbraw/zinc/82/90/47/1173829047.db2.gz MYTLTXCEQVMCOC-SECBINFHSA-N -1 1 276.344 1.532 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@H](O)C23CCC3)nc1-c1nnn[n-]1 ZINC001592183986 1173829203 /nfs/dbraw/zinc/82/92/03/1173829203.db2.gz NSAAOYZADQFSGG-ZJUUUORDSA-N -1 1 286.339 1.286 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@H](O)C23CCC3)nc1-c1nn[n-]n1 ZINC001592183986 1173829208 /nfs/dbraw/zinc/82/92/08/1173829208.db2.gz NSAAOYZADQFSGG-ZJUUUORDSA-N -1 1 286.339 1.286 20 0 CDADMM Cc1ccc(N[C@@H]2CCO[C@@H](C)C2)nc1-c1nnn[n-]1 ZINC001592183462 1173829307 /nfs/dbraw/zinc/82/93/07/1173829307.db2.gz FBOXMPZVXFHTPX-VHSXEESVSA-N -1 1 274.328 1.550 20 0 CDADMM Cc1ccc(N[C@@H]2CCO[C@@H](C)C2)nc1-c1nn[n-]n1 ZINC001592183462 1173829312 /nfs/dbraw/zinc/82/93/12/1173829312.db2.gz FBOXMPZVXFHTPX-VHSXEESVSA-N -1 1 274.328 1.550 20 0 CDADMM Cc1cccc([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)c1C ZINC001592223071 1173833276 /nfs/dbraw/zinc/83/32/76/1173833276.db2.gz TYBCDXMGHJPFBA-NSHDSACASA-N -1 1 295.350 1.869 20 0 CDADMM Cc1ccncc1C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001592277694 1173844417 /nfs/dbraw/zinc/84/44/17/1173844417.db2.gz UCQUVKSBVSPJIN-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1ccncc1C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001592277694 1173844422 /nfs/dbraw/zinc/84/44/22/1173844422.db2.gz UCQUVKSBVSPJIN-UHFFFAOYSA-N -1 1 296.290 1.322 20 0 CDADMM Cc1ccoc1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001592281791 1173845376 /nfs/dbraw/zinc/84/53/76/1173845376.db2.gz AVGGTFDARZLVGD-UHFFFAOYSA-N -1 1 271.284 1.195 20 0 CDADMM Cc1ccoc1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001592281791 1173845380 /nfs/dbraw/zinc/84/53/80/1173845380.db2.gz AVGGTFDARZLVGD-UHFFFAOYSA-N -1 1 271.284 1.195 20 0 CDADMM Cc1cnc(C)c(NCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001592292569 1173849826 /nfs/dbraw/zinc/84/98/26/1173849826.db2.gz LLYCOXDQKHGFPM-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1cnc(C)c(NCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001592292569 1173849833 /nfs/dbraw/zinc/84/98/33/1173849833.db2.gz LLYCOXDQKHGFPM-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1cnc(CNCc2cccc(-c3nn[n-]n3)n2)s1 ZINC001592294198 1173850355 /nfs/dbraw/zinc/85/03/55/1173850355.db2.gz XBOCISOBQOZPPU-UHFFFAOYSA-N -1 1 287.352 1.316 20 0 CDADMM Cc1[nH]nc(NCc2cc3n(n2)CCCC3)c1-c1nnn[n-]1 ZINC001592330928 1173857755 /nfs/dbraw/zinc/85/77/55/1173857755.db2.gz OOSIPNZRSVRALP-UHFFFAOYSA-N -1 1 299.342 1.043 20 0 CDADMM Cc1[nH]nc(NCc2cc3n(n2)CCCC3)c1-c1nn[n-]n1 ZINC001592330928 1173857760 /nfs/dbraw/zinc/85/77/60/1173857760.db2.gz OOSIPNZRSVRALP-UHFFFAOYSA-N -1 1 299.342 1.043 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N(C)C[C@H]2CC2(C)C)n1 ZINC001592338617 1173859947 /nfs/dbraw/zinc/85/99/47/1173859947.db2.gz KBWRSHKDMATLCF-SECBINFHSA-N -1 1 273.344 1.447 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N(C)C[C@H]2CC2(C)C)n1 ZINC001592338617 1173859951 /nfs/dbraw/zinc/85/99/51/1173859951.db2.gz KBWRSHKDMATLCF-SECBINFHSA-N -1 1 273.344 1.447 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC001592338029 1173860523 /nfs/dbraw/zinc/86/05/23/1173860523.db2.gz SQGIXOCDWYQUIM-RYUDHWBXSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC001592338029 1173860528 /nfs/dbraw/zinc/86/05/28/1173860528.db2.gz SQGIXOCDWYQUIM-RYUDHWBXSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]3CCCC[C@@H]32)n1 ZINC001592341623 1173862753 /nfs/dbraw/zinc/86/27/53/1173862753.db2.gz YNXBOFCNTQCKTI-JQWIXIFHSA-N -1 1 285.355 1.734 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]3CCCC[C@@H]32)n1 ZINC001592341623 1173862754 /nfs/dbraw/zinc/86/27/54/1173862754.db2.gz YNXBOFCNTQCKTI-JQWIXIFHSA-N -1 1 285.355 1.734 20 0 CDADMM Cc1nc(N[C@@H](C)c2nccnc2C)cc(-c2nnn[n-]2)n1 ZINC001592380880 1173874464 /nfs/dbraw/zinc/87/44/64/1173874464.db2.gz QLKWXXXXLWIAOK-QMMMGPOBSA-N -1 1 297.326 1.237 20 0 CDADMM Cc1nc(N[C@@H](C)c2nccnc2C)cc(-c2nn[n-]n2)n1 ZINC001592380880 1173874471 /nfs/dbraw/zinc/87/44/71/1173874471.db2.gz QLKWXXXXLWIAOK-QMMMGPOBSA-N -1 1 297.326 1.237 20 0 CDADMM COc1ccc(CN2CCCOCC2)cc1C(=O)[O-] ZINC000087829598 1173875217 /nfs/dbraw/zinc/87/52/17/1173875217.db2.gz ASVPKYWXOFKICI-UHFFFAOYSA-N -1 1 265.309 1.616 20 0 CDADMM Cc1nc(NC[C@@H]2CCO[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001592387828 1173879104 /nfs/dbraw/zinc/87/91/04/1173879104.db2.gz QFTBAMAINBODNO-WCBMZHEXSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1nc(NC[C@@H]2CCO[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001592387828 1173879110 /nfs/dbraw/zinc/87/91/10/1173879110.db2.gz QFTBAMAINBODNO-WCBMZHEXSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1nc(NC[C@H]2CCO[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001592387829 1173879412 /nfs/dbraw/zinc/87/94/12/1173879412.db2.gz QFTBAMAINBODNO-WPRPVWTQSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1nc(NC[C@H]2CCO[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001592387829 1173879416 /nfs/dbraw/zinc/87/94/16/1173879416.db2.gz QFTBAMAINBODNO-WPRPVWTQSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1nc(Nc2cnn(C(C)C)c2)cc(-c2nnn[n-]2)n1 ZINC001592398717 1173881060 /nfs/dbraw/zinc/88/10/60/1173881060.db2.gz REFFCSNERFCPFV-UHFFFAOYSA-N -1 1 285.315 1.486 20 0 CDADMM Cc1nc(Nc2cnn(C(C)C)c2)cc(-c2nn[n-]n2)n1 ZINC001592398717 1173881063 /nfs/dbraw/zinc/88/10/63/1173881063.db2.gz REFFCSNERFCPFV-UHFFFAOYSA-N -1 1 285.315 1.486 20 0 CDADMM Cc1nccc(CSCc2ccc(-c3nnn[n-]3)o2)n1 ZINC001592416544 1173884393 /nfs/dbraw/zinc/88/43/93/1173884393.db2.gz GCHQMTDJKUQQKY-UHFFFAOYSA-N -1 1 288.336 1.992 20 0 CDADMM Cc1nccc(CSCc2ccc(-c3nn[n-]n3)o2)n1 ZINC001592416544 1173884398 /nfs/dbraw/zinc/88/43/98/1173884398.db2.gz GCHQMTDJKUQQKY-UHFFFAOYSA-N -1 1 288.336 1.992 20 0 CDADMM Cc1nccnc1[C@@H](C)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592419403 1173884535 /nfs/dbraw/zinc/88/45/35/1173884535.db2.gz FHNPVUSFXDNSKR-SECBINFHSA-N -1 1 282.311 1.533 20 0 CDADMM Cc1nccnc1[C@@H](C)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592419403 1173884539 /nfs/dbraw/zinc/88/45/39/1173884539.db2.gz FHNPVUSFXDNSKR-SECBINFHSA-N -1 1 282.311 1.533 20 0 CDADMM Cc1nn(C[C@H](C)CC(C)C)c(=O)c(-c2nn[n-]n2)c1C ZINC001592436227 1173887892 /nfs/dbraw/zinc/88/78/92/1173887892.db2.gz LATLXXOPOXCCDI-SECBINFHSA-N -1 1 290.371 1.722 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc(-c2cnccn2)no1 ZINC001592496062 1173904508 /nfs/dbraw/zinc/90/45/08/1173904508.db2.gz UUAZLHBBMFUMCU-UHFFFAOYSA-N -1 1 296.250 1.275 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc(-c2cnccn2)no1 ZINC001592496062 1173904513 /nfs/dbraw/zinc/90/45/13/1173904513.db2.gz UUAZLHBBMFUMCU-UHFFFAOYSA-N -1 1 296.250 1.275 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@H](C)CC(F)F ZINC001592502578 1173907480 /nfs/dbraw/zinc/90/74/80/1173907480.db2.gz MWEHZRORRLAUTN-ZCFIWIBFSA-N -1 1 299.281 1.789 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@H](C)CC(F)F ZINC001592502578 1173907484 /nfs/dbraw/zinc/90/74/84/1173907484.db2.gz MWEHZRORRLAUTN-ZCFIWIBFSA-N -1 1 299.281 1.789 20 0 CDADMM Clc1cnc(CNc2cccc(-c3nnn[n-]3)n2)cn1 ZINC001592536666 1173916829 /nfs/dbraw/zinc/91/68/29/1173916829.db2.gz SFCVPPWCKYFFFY-UHFFFAOYSA-N -1 1 288.702 1.317 20 0 CDADMM Clc1cnc(CNc2cccc(-c3nn[n-]n3)n2)cn1 ZINC001592536666 1173916835 /nfs/dbraw/zinc/91/68/35/1173916835.db2.gz SFCVPPWCKYFFFY-UHFFFAOYSA-N -1 1 288.702 1.317 20 0 CDADMM F[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001592632915 1173945669 /nfs/dbraw/zinc/94/56/69/1173945669.db2.gz ZIFKPGJKWPLILL-HTQZYQBOSA-N -1 1 263.280 1.349 20 0 CDADMM F[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001592632915 1173945673 /nfs/dbraw/zinc/94/56/73/1173945673.db2.gz ZIFKPGJKWPLILL-HTQZYQBOSA-N -1 1 263.280 1.349 20 0 CDADMM Fc1cc(NCc2ccc(-c3nn[n-]n3)s2)ncn1 ZINC001592643221 1173950573 /nfs/dbraw/zinc/95/05/73/1173950573.db2.gz MGQAXUQRNCZUIR-UHFFFAOYSA-N -1 1 277.288 1.469 20 0 CDADMM Fc1cc(Oc2ncncc2-c2nn[n-]n2)cnc1Cl ZINC001592644090 1173950854 /nfs/dbraw/zinc/95/08/54/1173950854.db2.gz OBXZPZUCDPHGCX-UHFFFAOYSA-N -1 1 293.649 1.637 20 0 CDADMM Fc1cc(Oc2ncncc2-c2nnn[n-]2)cnc1Cl ZINC001592644090 1173950852 /nfs/dbraw/zinc/95/08/52/1173950852.db2.gz OBXZPZUCDPHGCX-UHFFFAOYSA-N -1 1 293.649 1.637 20 0 CDADMM Fc1ccc2c(c1)[C@@H](Nc1ncncc1-c1nn[n-]n1)CC2 ZINC001592652926 1173956332 /nfs/dbraw/zinc/95/63/32/1173956332.db2.gz AUDMZJAHZXVYGP-LBPRGKRZSA-N -1 1 297.297 1.895 20 0 CDADMM Fc1cncc(Oc2cc(-c3nnn[n-]3)nc(C3CC3)n2)c1 ZINC001592661161 1173957501 /nfs/dbraw/zinc/95/75/01/1173957501.db2.gz OACKQCOOWWLUIK-UHFFFAOYSA-N -1 1 299.269 1.861 20 0 CDADMM Fc1cncc(Oc2cc(-c3nn[n-]n3)nc(C3CC3)n2)c1 ZINC001592661161 1173957505 /nfs/dbraw/zinc/95/75/05/1173957505.db2.gz OACKQCOOWWLUIK-UHFFFAOYSA-N -1 1 299.269 1.861 20 0 CDADMM Fc1cccc2c1CC[C@@H]2Nc1ccnc(-c2nnn[n-]2)c1 ZINC001592660515 1173957512 /nfs/dbraw/zinc/95/75/12/1173957512.db2.gz CSFSZRZVPFPHKN-ZDUSSCGKSA-N -1 1 296.309 1.922 20 0 CDADMM Fc1cccc2c1CC[C@@H]2Nc1ccnc(-c2nn[n-]n2)c1 ZINC001592660515 1173957515 /nfs/dbraw/zinc/95/75/15/1173957515.db2.gz CSFSZRZVPFPHKN-ZDUSSCGKSA-N -1 1 296.309 1.922 20 0 CDADMM O=C(C[C@@H]1CCCCO1)Nc1ncc(-c2nnn[n-]2)s1 ZINC001592821874 1173993768 /nfs/dbraw/zinc/99/37/68/1173993768.db2.gz ZFUKOFJFHQMNRP-ZETCQYMHSA-N -1 1 294.340 1.221 20 0 CDADMM O=C(C[C@@H]1CCCCO1)Nc1ncc(-c2nn[n-]n2)s1 ZINC001592821874 1173993778 /nfs/dbraw/zinc/99/37/78/1173993778.db2.gz ZFUKOFJFHQMNRP-ZETCQYMHSA-N -1 1 294.340 1.221 20 0 CDADMM O=C(N[C@@H](C1CC1)C1CCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001592949860 1174006687 /nfs/dbraw/zinc/00/66/87/1174006687.db2.gz NGWWNICIJKFDHA-CYBMUJFWSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(N[C@@H](C1CC1)C1CCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001592949860 1174006690 /nfs/dbraw/zinc/00/66/90/1174006690.db2.gz NGWWNICIJKFDHA-CYBMUJFWSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(NCC1CCC=CCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001593033284 1174016382 /nfs/dbraw/zinc/01/63/82/1174016382.db2.gz HLAYJPJFZWLSJK-UHFFFAOYSA-N -1 1 287.323 1.936 20 0 CDADMM O=C(NCC1CCC=CCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001593033284 1174016388 /nfs/dbraw/zinc/01/63/88/1174016388.db2.gz HLAYJPJFZWLSJK-UHFFFAOYSA-N -1 1 287.323 1.936 20 0 CDADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)C1CC=CC1 ZINC001593197532 1174031797 /nfs/dbraw/zinc/03/17/97/1174031797.db2.gz UOPPHUDRIJPKPD-UHFFFAOYSA-N -1 1 285.311 1.372 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1c[nH]cc1C1CC1 ZINC001593197021 1174032819 /nfs/dbraw/zinc/03/28/19/1174032819.db2.gz CVKMPZLTPXWQSN-UHFFFAOYSA-N -1 1 284.283 1.048 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1c[nH]cc1C1CC1 ZINC001593197021 1174032823 /nfs/dbraw/zinc/03/28/23/1174032823.db2.gz CVKMPZLTPXWQSN-UHFFFAOYSA-N -1 1 284.283 1.048 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001593256361 1174039568 /nfs/dbraw/zinc/03/95/68/1174039568.db2.gz QOFZJPPVBPYJAJ-DIYOJNKTSA-N -1 1 285.311 1.182 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001593256361 1174039574 /nfs/dbraw/zinc/03/95/74/1174039574.db2.gz QOFZJPPVBPYJAJ-DIYOJNKTSA-N -1 1 285.311 1.182 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)C1CCC=CCC1 ZINC001593259992 1174044142 /nfs/dbraw/zinc/04/41/42/1174044142.db2.gz HAWGSRMKJFAWOF-UHFFFAOYSA-N -1 1 273.300 1.275 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1CCCCCF ZINC001593492751 1174087410 /nfs/dbraw/zinc/08/74/10/1174087410.db2.gz NHYDGZHPQUSKIS-UHFFFAOYSA-N -1 1 251.265 1.168 20 0 CDADMM OC[C@@H](CC1CCCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001593521649 1174099000 /nfs/dbraw/zinc/09/90/00/1174099000.db2.gz NXHFKVLSBDOQLY-SNVBAGLBSA-N -1 1 289.343 1.010 20 0 CDADMM OC[C@@H](CC1CCCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001593521649 1174099007 /nfs/dbraw/zinc/09/90/07/1174099007.db2.gz NXHFKVLSBDOQLY-SNVBAGLBSA-N -1 1 289.343 1.010 20 0 CDADMM c1c(-c2nn[n-]n2)nnn1C[C@@H]1CC2(CO1)CCCCC2 ZINC001593543098 1174112223 /nfs/dbraw/zinc/11/22/23/1174112223.db2.gz BKGNPLHLRQXQES-JTQLQIEISA-N -1 1 289.343 1.198 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(-c2nc([C@@H]3CCCOC3)no2)c1 ZINC001593549702 1174121377 /nfs/dbraw/zinc/12/13/77/1174121377.db2.gz BKQPQTJASIGYHX-MRVPVSSYSA-N -1 1 299.294 1.206 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(-c2nc([C@@H]3CCCOC3)no2)c1 ZINC001593549702 1174121381 /nfs/dbraw/zinc/12/13/81/1174121381.db2.gz BKQPQTJASIGYHX-MRVPVSSYSA-N -1 1 299.294 1.206 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CCC[C@H](C3CC3)C2)c1 ZINC001593549793 1174122305 /nfs/dbraw/zinc/12/23/05/1174122305.db2.gz FDXZYFQKQRBJLB-NSHDSACASA-N -1 1 270.340 1.888 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CCC[C@H](C3CC3)C2)c1 ZINC001593549793 1174122309 /nfs/dbraw/zinc/12/23/09/1174122309.db2.gz FDXZYFQKQRBJLB-NSHDSACASA-N -1 1 270.340 1.888 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC1([C@@H]2CCCO2)CCC1 ZINC001593551844 1174123539 /nfs/dbraw/zinc/12/35/39/1174123539.db2.gz SARMGAJJRYPFGP-JTQLQIEISA-N -1 1 287.327 1.170 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC1([C@@H]2CCCO2)CCC1 ZINC001593551844 1174123553 /nfs/dbraw/zinc/12/35/53/1174123553.db2.gz SARMGAJJRYPFGP-JTQLQIEISA-N -1 1 287.327 1.170 20 0 CDADMM c1ccc(CCCOc2cnc(-c3nn[n-]n3)nc2)cc1 ZINC001593572358 1174143365 /nfs/dbraw/zinc/14/33/65/1174143365.db2.gz ZZUWIKDQJFKNFF-UHFFFAOYSA-N -1 1 282.307 1.668 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCc2ccncc2)c1 ZINC001593585528 1174152784 /nfs/dbraw/zinc/15/27/84/1174152784.db2.gz VVWMICRAPYYSKT-UHFFFAOYSA-N -1 1 253.269 1.269 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCc2ccncc2)c1 ZINC001593585528 1174152789 /nfs/dbraw/zinc/15/27/89/1174152789.db2.gz VVWMICRAPYYSKT-UHFFFAOYSA-N -1 1 253.269 1.269 20 0 CDADMM c1coc(-c2noc(-c3coc(-c4nnn[n-]4)c3)n2)c1 ZINC001593589899 1174158413 /nfs/dbraw/zinc/15/84/13/1174158413.db2.gz XEFXVCZGIGQPIB-UHFFFAOYSA-N -1 1 270.208 1.770 20 0 CDADMM c1coc(-c2noc(-c3coc(-c4nn[n-]n4)c3)n2)c1 ZINC001593589899 1174158415 /nfs/dbraw/zinc/15/84/15/1174158415.db2.gz XEFXVCZGIGQPIB-UHFFFAOYSA-N -1 1 270.208 1.770 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NC[C@@H]1CCCCS1 ZINC001593595761 1174164515 /nfs/dbraw/zinc/16/45/15/1174164515.db2.gz XNOXWVUXEMDBJK-QMMMGPOBSA-N -1 1 277.357 1.354 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NC[C@@H]1CCCCS1 ZINC001593595761 1174164520 /nfs/dbraw/zinc/16/45/20/1174164520.db2.gz XNOXWVUXEMDBJK-QMMMGPOBSA-N -1 1 277.357 1.354 20 0 CDADMM c1cc(CCCNc2ncncc2-c2nn[n-]n2)cs1 ZINC001593595777 1174165156 /nfs/dbraw/zinc/16/51/56/1174165156.db2.gz XZOOXHARAHUWBZ-UHFFFAOYSA-N -1 1 287.352 1.763 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC001593594989 1174165599 /nfs/dbraw/zinc/16/55/99/1174165599.db2.gz KVTHSQFBLOARMI-NGZCFLSTSA-N -1 1 287.327 1.026 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC001593594989 1174165608 /nfs/dbraw/zinc/16/56/08/1174165608.db2.gz KVTHSQFBLOARMI-NGZCFLSTSA-N -1 1 287.327 1.026 20 0 CDADMM Cc1cc(C(=O)[O-])ccc1NC(=O)N(C)CC1CN(C)C1 ZINC001600120566 1174365104 /nfs/dbraw/zinc/36/51/04/1174365104.db2.gz CWTIUUZSFOMQLU-UHFFFAOYSA-N -1 1 291.351 1.719 20 0 CDADMM Cc1cc(C[C@@H](C)NC(=O)c2cc(C(=O)[O-])oc2C)n[nH]1 ZINC001600189065 1174391193 /nfs/dbraw/zinc/39/11/93/1174391193.db2.gz JNEOLFIVGJCHLG-SSDOTTSWSA-N -1 1 291.307 1.679 20 0 CDADMM Cc1cc(C[C@H](C)NC(=O)NC2CC(CC(=O)[O-])C2)n[nH]1 ZINC001600188614 1174391789 /nfs/dbraw/zinc/39/17/89/1174391789.db2.gz GYWDKDXCRXIQBN-PUSIOWJLSA-N -1 1 294.355 1.202 20 0 CDADMM Cc1cc(CN2CCc3nccc(N)c3C2)oc1C(=O)[O-] ZINC001600196735 1174402104 /nfs/dbraw/zinc/40/21/04/1174402104.db2.gz XTAXVJQGWMNVFR-UHFFFAOYSA-N -1 1 287.319 1.822 20 0 CDADMM Cc1ccc(CN2CCc3cn[nH]c3C2)cc1C(=O)[O-] ZINC001600416345 1174469489 /nfs/dbraw/zinc/46/94/89/1174469489.db2.gz XVQROTKKWGKNCB-UHFFFAOYSA-N -1 1 271.320 1.975 20 0 CDADMM Cc1ccc(O)c(CN(CC(=O)[O-])C2CCOCC2)n1 ZINC001600464828 1174484474 /nfs/dbraw/zinc/48/44/74/1174484474.db2.gz KYOYIDKAXPEAED-UHFFFAOYSA-N -1 1 280.324 1.161 20 0 CDADMM Cc1ccccc1[C@H](C(=O)[O-])N(C)CCOCCO ZINC001600565586 1174506153 /nfs/dbraw/zinc/50/61/53/1174506153.db2.gz APFJFBPGBAKSQW-CYBMUJFWSA-N -1 1 267.325 1.061 20 0 CDADMM COC[C@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000095244872 1174518910 /nfs/dbraw/zinc/51/89/10/1174518910.db2.gz RZDRITWWMDHJJE-RXMQYKEDSA-N -1 1 288.764 1.671 20 0 CDADMM COC[C@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000095244872 1174518916 /nfs/dbraw/zinc/51/89/16/1174518916.db2.gz RZDRITWWMDHJJE-RXMQYKEDSA-N -1 1 288.764 1.671 20 0 CDADMM Cc1nnc(COC(=O)CC(C)(C)CC(=O)[O-])[nH]1 ZINC001600670242 1174557221 /nfs/dbraw/zinc/55/72/21/1174557221.db2.gz DKJIOTZBBXXIKW-UHFFFAOYSA-N -1 1 255.274 1.047 20 0 CDADMM Cc1[nH+]c(N2CCC[C@H]2C(=O)[O-])ccc1C(=O)[O-] ZINC001600711018 1174576329 /nfs/dbraw/zinc/57/63/29/1174576329.db2.gz AMVLDNYNMWJNMJ-VIFPVBQESA-N -1 1 250.254 1.142 20 0 CDADMM Cc1nn(-c2ccccc2)cc1CN[C@H](CF)C(=O)[O-] ZINC001600764992 1174601258 /nfs/dbraw/zinc/60/12/58/1174601258.db2.gz YBKCIUZUQGCXQH-CYBMUJFWSA-N -1 1 277.299 1.693 20 0 CDADMM Cc1nc([C@@H](C)NCc2cc(C(=O)[O-])n(C)c2)n[nH]1 ZINC001600793202 1174613171 /nfs/dbraw/zinc/61/31/71/1174613171.db2.gz VRXVMBODKXYWKY-SSDOTTSWSA-N -1 1 263.301 1.001 20 0 CDADMM Cc1nocc1CN[C@](C)(CC(=O)[O-])c1ccncc1 ZINC001600816503 1174626679 /nfs/dbraw/zinc/62/66/79/1174626679.db2.gz FLDLAMZXGYMWKA-CQSZACIVSA-N -1 1 275.308 1.858 20 0 CDADMM Cc1oc(C(=O)[O-])cc1CNC1COC(C)(C)OC1 ZINC001600830818 1174636213 /nfs/dbraw/zinc/63/62/13/1174636213.db2.gz BWJAGCRVLRGKMT-UHFFFAOYSA-N -1 1 269.297 1.527 20 0 CDADMM Cn1c(CNCc2cnc3n2CCCC3)ccc1C(=O)[O-] ZINC001600916141 1174663606 /nfs/dbraw/zinc/66/36/06/1174663606.db2.gz NWZAMFDLZLOGRV-UHFFFAOYSA-N -1 1 288.351 1.546 20 0 CDADMM Cn1cc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])cc1C(=O)[O-] ZINC001600951119 1174674597 /nfs/dbraw/zinc/67/45/97/1174674597.db2.gz DPBKFNUBGHKVCQ-GFCCVEGCSA-N -1 1 294.351 1.943 20 0 CDADMM Nc1cnccc1CNCc1ccccc1CC(=O)[O-] ZINC001601218859 1174796113 /nfs/dbraw/zinc/79/61/13/1174796113.db2.gz PEXGZJUDKXFGQP-UHFFFAOYSA-N -1 1 271.320 1.581 20 0 CDADMM O=C([O-])[C@H](CF)NCc1ccc(Oc2cnccn2)cc1 ZINC001601650012 1174929909 /nfs/dbraw/zinc/92/99/09/1174929909.db2.gz MSBMISCHYPNWAM-LBPRGKRZSA-N -1 1 291.282 1.781 20 0 CDADMM O=C([O-])[C@@H](N[C@@H](CO)C1CC1)c1c(F)cccc1Cl ZINC001601666157 1174935972 /nfs/dbraw/zinc/93/59/72/1174935972.db2.gz DRVCMPZQKMSPME-JQWIXIFHSA-N -1 1 287.718 1.965 20 0 CDADMM O=C([O-])[C@]1(C(=O)OCc2c[nH]nn2)C[C@@H]1c1ccccc1 ZINC001601703801 1174956645 /nfs/dbraw/zinc/95/66/45/1174956645.db2.gz CFWPRHKJBOTFCE-RISCZKNCSA-N -1 1 287.275 1.106 20 0 CDADMM O=C([O-])[C@H]1C[C@H](O)CN1Cc1ccc(C2CCC2)cc1 ZINC001601771834 1174999090 /nfs/dbraw/zinc/99/90/90/1174999090.db2.gz HIFAHMHDKKCELT-LSDHHAIUSA-N -1 1 275.348 1.974 20 0 CDADMM O=C([O-])[C@@H]1Cc2ccccc2N(Cc2cnc[nH]2)C1 ZINC001601867410 1175042453 /nfs/dbraw/zinc/04/24/53/1175042453.db2.gz CHQKFOFBHZWWCS-LLVKDONJSA-N -1 1 257.293 1.673 20 0 CDADMM O=C([O-])C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2O)C1 ZINC001602113242 1175134603 /nfs/dbraw/zinc/13/46/03/1175134603.db2.gz BMAJYAZZFNUTBW-ZJUUUORDSA-N -1 1 299.348 1.314 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](F)C[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC001602197102 1175160168 /nfs/dbraw/zinc/16/01/68/1175160168.db2.gz NANPRXXPFPSKTF-IUCAKERBSA-N -1 1 259.277 1.128 20 0 CDADMM O=C([O-])[C@@H]1OCC[C@@H]1C[NH2+]Cc1c(F)ccc([O-])c1F ZINC001602202105 1175161338 /nfs/dbraw/zinc/16/13/38/1175161338.db2.gz ODTVZKNOONZTAT-JMCQJSRRSA-N -1 1 287.262 1.250 20 0 CDADMM O=C([O-])[C@H]1CCCN(C(=O)c2cc(F)cc3nn[nH]c32)C1 ZINC001602211976 1175167708 /nfs/dbraw/zinc/16/77/08/1175167708.db2.gz YXWAPDJGIFPQJJ-ZETCQYMHSA-N -1 1 292.270 1.034 20 0 CDADMM O=C([O-])c1cc(CN2CC[C@@H](N3CCCC3=O)C2)cs1 ZINC001602257507 1175184848 /nfs/dbraw/zinc/18/48/48/1175184848.db2.gz XMIZEBNWAWURRP-LLVKDONJSA-N -1 1 294.376 1.643 20 0 CDADMM O=C([O-])c1ccc(CN2CCC3(CC2)OCCCO3)o1 ZINC001602338466 1175211564 /nfs/dbraw/zinc/21/15/64/1175211564.db2.gz XBLXCAYJGNXYGG-UHFFFAOYSA-N -1 1 281.308 1.707 20 0 CDADMM O=C([O-])c1ccc(CNC(=O)c2n[nH]c3ccccc32)nc1 ZINC001602342807 1175215635 /nfs/dbraw/zinc/21/56/35/1175215635.db2.gz GTTBSWBHWHYJBL-UHFFFAOYSA-N -1 1 296.286 1.586 20 0 CDADMM O=C([O-])c1ccc(Cc2nc([C@@H]3CCCN3)no2)cc1 ZINC001602358168 1175222688 /nfs/dbraw/zinc/22/26/88/1175222688.db2.gz OUMCNOROWBVGLY-NSHDSACASA-N -1 1 273.292 1.783 20 0 CDADMM O=C([O-])c1cccc(Cn2cc(CNC3CC3)nn2)c1 ZINC001602442967 1175243186 /nfs/dbraw/zinc/24/31/86/1175243186.db2.gz AKFGNZHXUSGSPK-UHFFFAOYSA-N -1 1 272.308 1.277 20 0 CDADMM C[C@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1cccs1 ZINC001603025234 1175477864 /nfs/dbraw/zinc/47/78/64/1175477864.db2.gz PSBULYVDAFDNGZ-LURJTMIESA-N -1 1 289.324 1.394 20 0 CDADMM C[C@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1cccs1 ZINC001603025234 1175477868 /nfs/dbraw/zinc/47/78/68/1175477868.db2.gz PSBULYVDAFDNGZ-LURJTMIESA-N -1 1 289.324 1.394 20 0 CDADMM CC(C)(C)C(F)(F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001603060169 1175484075 /nfs/dbraw/zinc/48/40/75/1175484075.db2.gz CGRVEMFEWMJBBG-UHFFFAOYSA-N -1 1 283.286 1.750 20 0 CDADMM CC(C)(C)C(F)(F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001603060169 1175484084 /nfs/dbraw/zinc/48/40/84/1175484084.db2.gz CGRVEMFEWMJBBG-UHFFFAOYSA-N -1 1 283.286 1.750 20 0 CDADMM CC(C)(C)[C@@H]1CCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001603066649 1175484414 /nfs/dbraw/zinc/48/44/14/1175484414.db2.gz UGGVNNBJIQFTAF-NXEZZACHSA-N -1 1 287.371 1.705 20 0 CDADMM C[C@@H](C(=O)NCC(=O)[O-])N(C)CC1(c2ccccc2)CC1 ZINC001603159783 1175505956 /nfs/dbraw/zinc/50/59/56/1175505956.db2.gz FFKPYXKVKPOPLP-LBPRGKRZSA-N -1 1 290.363 1.239 20 0 CDADMM CC(C)(C)N1CC[C@H]1C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC001603344122 1175543814 /nfs/dbraw/zinc/54/38/14/1175543814.db2.gz FRJVWKSHGWEOJQ-MNOVXSKESA-N -1 1 268.357 1.229 20 0 CDADMM CC(C)(C)N1CC[C@@H](NCc2ccc(C(=O)[O-])[nH]2)C1=O ZINC001603344649 1175543888 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252.318 1.034 20 0 CDADMM O=C(N[C@H]1COC[C@H]1O)c1cc2ccccc2cc1[O-] ZINC000323426410 393425201 /nfs/dbraw/zinc/42/52/01/393425201.db2.gz PRZGDCUBABBALA-GXTWGEPZSA-N -1 1 273.288 1.035 20 0 CDADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2cn[nH]c2)c1 ZINC000125991266 139805098 /nfs/dbraw/zinc/80/50/98/139805098.db2.gz CGBLGLNKBMFRHP-UHFFFAOYSA-N -1 1 294.336 1.342 20 0 CDADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cncnc2)c(F)c1 ZINC000231773507 140219053 /nfs/dbraw/zinc/21/90/53/140219053.db2.gz GRXOIHVWPQMNOB-UHFFFAOYSA-N -1 1 297.267 1.115 20 0 CDADMM CC(C)CN(C(=O)CNC(=O)c1ncccc1[O-])C(C)C ZINC000352359974 155133967 /nfs/dbraw/zinc/13/39/67/155133967.db2.gz CVAQAEXCIWPSIO-UHFFFAOYSA-N -1 1 293.367 1.410 20 0 CDADMM O=C(CCn1ccc2ccccc21)Nc1nnn[n-]1 ZINC000096749691 147116682 /nfs/dbraw/zinc/11/66/82/147116682.db2.gz XBFDAEZSFGZSEH-UHFFFAOYSA-N -1 1 256.269 1.183 20 0 CDADMM O=C(CCn1ccc2ccccc21)Nc1nn[n-]n1 ZINC000096749691 147116685 /nfs/dbraw/zinc/11/66/85/147116685.db2.gz XBFDAEZSFGZSEH-UHFFFAOYSA-N -1 1 256.269 1.183 20 0 CDADMM C[C@H](C(=O)Nc1cccc(F)c1)N1CCC(C(=O)[O-])CC1 ZINC000262679214 149095601 /nfs/dbraw/zinc/09/56/01/149095601.db2.gz VJYDHZMGTCOZDN-SNVBAGLBSA-N -1 1 294.326 1.949 20 0 CDADMM NC(=O)[C@H]1CC[N@@H+](Cc2cccc(O)c2Br)C1 ZINC000316123905 149260399 /nfs/dbraw/zinc/26/03/99/149260399.db2.gz OIKFZRPSMNQNPA-VIFPVBQESA-N -1 1 299.168 1.462 20 0 CDADMM Cc1occc1C(=O)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000334204260 149359348 /nfs/dbraw/zinc/35/93/48/149359348.db2.gz VQYJBWFKQOWBOB-UHFFFAOYSA-N -1 1 277.280 1.696 20 0 CDADMM Cc1occc1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000334204260 149359350 /nfs/dbraw/zinc/35/93/50/149359350.db2.gz VQYJBWFKQOWBOB-UHFFFAOYSA-N -1 1 277.280 1.696 20 0 CDADMM CC1(F)CC(NC(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000334961500 150121695 /nfs/dbraw/zinc/12/16/95/150121695.db2.gz MIMLJJHEWHCZLB-UHFFFAOYSA-N -1 1 275.283 1.544 20 0 CDADMM O=C1C[C@@H](NCc2cc(O)cc(F)c2)[C@H]2CCCCN12 ZINC000335062462 150247248 /nfs/dbraw/zinc/24/72/48/150247248.db2.gz ILYWRWWTOQWLAL-ZIAGYGMSSA-N -1 1 278.327 1.774 20 0 CDADMM COCCc1nc(=N[C@@H]2CCCN(C)[C@H]2C)s[n-]1 ZINC000343445023 152179874 /nfs/dbraw/zinc/17/98/74/152179874.db2.gz NOQAXCCKWJIAPR-VHSXEESVSA-N -1 1 270.402 1.044 20 0 CDADMM CC(C)[C@@H]1CCN(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000343815540 152312728 /nfs/dbraw/zinc/31/27/28/152312728.db2.gz ATNRWGOQIBUCAL-LLVKDONJSA-N -1 1 291.351 1.022 20 0 CDADMM COCC(=O)CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000356042980 157332039 /nfs/dbraw/zinc/33/20/39/157332039.db2.gz MYIPMLRDZJGAGI-UHFFFAOYSA-N -1 1 298.364 1.372 20 0 CDADMM COCC(=O)CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000356042980 157332043 /nfs/dbraw/zinc/33/20/43/157332043.db2.gz MYIPMLRDZJGAGI-UHFFFAOYSA-N -1 1 298.364 1.372 20 0 CDADMM CCC[C@H](NC(=O)[C@@H]1C[C@H]1CCC)c1nn[n-]n1 ZINC000362951399 159275618 /nfs/dbraw/zinc/27/56/18/159275618.db2.gz LYAYKDMBDDSYRB-BBBLOLIVSA-N -1 1 251.334 1.593 20 0 CDADMM CC(=O)N1CC[C@@](C)(C(=O)[N-]OCc2ccccc2)C1 ZINC000363306515 159319539 /nfs/dbraw/zinc/31/95/39/159319539.db2.gz JJBPEPRDBOHCCY-OAHLLOKOSA-N -1 1 276.336 1.493 20 0 CDADMM O=C(CC1CCCCCC1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000371868038 160058678 /nfs/dbraw/zinc/05/86/78/160058678.db2.gz OGLNZWLKRLFGSM-GFCCVEGCSA-N -1 1 293.371 1.460 20 0 CDADMM Cn1nccc1[C@H]1CCCN(C(=O)c2cncc([O-])c2)C1 ZINC000375009008 160333201 /nfs/dbraw/zinc/33/32/01/160333201.db2.gz SOSWILDIQZHUEE-NSHDSACASA-N -1 1 286.335 1.541 20 0 CDADMM C[C@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000284485704 196067978 /nfs/dbraw/zinc/06/79/78/196067978.db2.gz ZIMGFBMDTGWVEW-MRVPVSSYSA-N -1 1 295.763 1.776 20 0 CDADMM COC(=O)c1c[n-]c(SCc2oncc2C(=O)OC)n1 ZINC000284981233 196170632 /nfs/dbraw/zinc/17/06/32/196170632.db2.gz BBBORTWUICGYPL-UHFFFAOYSA-N -1 1 297.292 1.263 20 0 CDADMM CCCCCc1cc(C(=O)N(CC(=O)[O-])C2CC2)n[nH]1 ZINC000659123880 413542305 /nfs/dbraw/zinc/54/23/05/413542305.db2.gz FCFUHCZJAMLYRB-UHFFFAOYSA-N -1 1 279.340 1.832 20 0 CDADMM C[C@H]1CCCC[C@@H]1NC(=O)CN1CCC(C(=O)[O-])CC1 ZINC000035299954 172114662 /nfs/dbraw/zinc/11/46/62/172114662.db2.gz KJUWPGTWHRUXEE-AAEUAGOBSA-N -1 1 282.384 1.478 20 0 CDADMM CCc1cccc(NC(=O)CN2CCC(C(=O)[O-])CC2)c1 ZINC000035299860 172114812 /nfs/dbraw/zinc/11/48/12/172114812.db2.gz JCACBPGFJWSCMN-UHFFFAOYSA-N -1 1 290.363 1.984 20 0 CDADMM CCC[C@@H](NCC(=O)N1CCCC[C@@H]1C)C(=O)[O-] ZINC000036839949 172745067 /nfs/dbraw/zinc/74/50/67/172745067.db2.gz AYLYWTPHEXFXOG-WDEREUQCSA-N -1 1 256.346 1.230 20 0 CDADMM O=C(NC[C@@H]1CCCNC1=O)c1ccc(Cl)cc1[O-] ZINC000665258350 413982183 /nfs/dbraw/zinc/98/21/83/413982183.db2.gz UGALTDXVCOFMFH-QMMMGPOBSA-N -1 1 282.727 1.302 20 0 CDADMM O=C(NCCC1(O)CCC1)c1c(F)ccc([O-])c1F ZINC000285670819 196360682 /nfs/dbraw/zinc/36/06/82/196360682.db2.gz KVHIBTYXTJCSCY-UHFFFAOYSA-N -1 1 271.263 1.705 20 0 CDADMM CN(C)C(=O)CN(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000037250637 173063015 /nfs/dbraw/zinc/06/30/15/173063015.db2.gz VHNNGMAIHFIILY-UHFFFAOYSA-N -1 1 270.716 1.206 20 0 CDADMM C[C@H](CNC(=O)NC[C@H](c1ccsc1)N(C)C)C(=O)[O-] ZINC000655862061 414265113 /nfs/dbraw/zinc/26/51/13/414265113.db2.gz WGENGYJEOHFPJA-MWLCHTKSSA-N -1 1 299.396 1.371 20 0 CDADMM O=C(N[C@H]1C[C@@H](O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000665575830 414293079 /nfs/dbraw/zinc/29/30/79/414293079.db2.gz TYEMYVQLKQIIBI-OCAPTIKFSA-N -1 1 275.226 1.664 20 0 CDADMM O=C([O-])c1cccc(NC(=O)c2ncccc2O)c1 ZINC000037760206 173687474 /nfs/dbraw/zinc/68/74/74/173687474.db2.gz KOCBZVWMAFAGMK-UHFFFAOYSA-N -1 1 258.233 1.738 20 0 CDADMM Cc1cc(C)cc(CN(C)[C@@H]2CCN(CC(=O)[O-])C2=O)c1 ZINC000662210488 414565055 /nfs/dbraw/zinc/56/50/55/414565055.db2.gz GRQSYHMQSNUUJL-CQSZACIVSA-N -1 1 290.363 1.421 20 0 CDADMM CCCCNC(=O)CN1CCC[C@H](CCC(=O)[O-])C1 ZINC000043585812 175071966 /nfs/dbraw/zinc/07/19/66/175071966.db2.gz CLINMOVYDIKYPV-GFCCVEGCSA-N -1 1 270.373 1.480 20 0 CDADMM O=S(=O)([N-]C[C@H](O)C1CC1)c1ccc(F)c(F)c1F ZINC000071304295 176115039 /nfs/dbraw/zinc/11/50/39/176115039.db2.gz GVGXFUUANDFZAE-QMMMGPOBSA-N -1 1 295.282 1.153 20 0 CDADMM Cc1ccc(C(=O)NCc2n[n-]c(=S)n2C2CC2)cn1 ZINC000078502621 177347586 /nfs/dbraw/zinc/34/75/86/177347586.db2.gz IFKISWHBBSIOJI-UHFFFAOYSA-N -1 1 289.364 1.909 20 0 CDADMM O=C(c1cc(F)ccc1[O-])N1CCOC[C@]12CCOC2 ZINC000195182298 304498297 /nfs/dbraw/zinc/49/82/97/304498297.db2.gz DQJSSIAAVFYFMJ-CQSZACIVSA-N -1 1 281.283 1.163 20 0 CDADMM CC(C)[C@](C)(O)CNc1cccnc1-c1nnn[n-]1 ZINC001589429872 1173143194 /nfs/dbraw/zinc/14/31/94/1173143194.db2.gz VAIRYXNDSIFDMV-GFCCVEGCSA-N -1 1 262.317 1.081 20 0 CDADMM CC(C)[C@](C)(O)CNc1cccnc1-c1nn[n-]n1 ZINC001589429872 1173143200 /nfs/dbraw/zinc/14/32/00/1173143200.db2.gz VAIRYXNDSIFDMV-GFCCVEGCSA-N -1 1 262.317 1.081 20 0 CDADMM CC(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001589509274 1173154289 /nfs/dbraw/zinc/15/42/89/1173154289.db2.gz OGDWSTNSVPHCBI-UHFFFAOYSA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001589509274 1173154293 /nfs/dbraw/zinc/15/42/93/1173154293.db2.gz OGDWSTNSVPHCBI-UHFFFAOYSA-N -1 1 273.344 1.529 20 0 CDADMM CC(C)CC1(CNc2ncncc2-c2nn[n-]n2)CC1 ZINC001589573260 1173159067 /nfs/dbraw/zinc/15/90/67/1173159067.db2.gz WPPDHHRKWFEMIV-UHFFFAOYSA-N -1 1 273.344 1.895 20 0 CDADMM C[C@H](CC[NH2+]Cc1csc(-c2nn[n-]n2)c1)CC(=O)[O-] ZINC001589831031 1173186488 /nfs/dbraw/zinc/18/64/88/1173186488.db2.gz QFOAYFPPRCBHHA-MRVPVSSYSA-N -1 1 295.368 1.519 20 0 CDADMM C[C@@H](NCc1nc(-c2nnn[n-]2)cs1)c1ncco1 ZINC001589975732 1173218604 /nfs/dbraw/zinc/21/86/04/1173218604.db2.gz GKBCYWMDYIZFDY-ZCFIWIBFSA-N -1 1 277.313 1.162 20 0 CDADMM C[C@@H](NCc1nc(-c2nn[n-]n2)cs1)c1ncco1 ZINC001589975732 1173218608 /nfs/dbraw/zinc/21/86/08/1173218608.db2.gz GKBCYWMDYIZFDY-ZCFIWIBFSA-N -1 1 277.313 1.162 20 0 CDADMM O=C(N[C@@H](CO)CCF)c1ccc(C(F)(F)F)cc1[O-] ZINC000652913154 423829962 /nfs/dbraw/zinc/82/99/62/423829962.db2.gz VZDCLDDFXVBAPW-MRVPVSSYSA-N -1 1 295.232 1.861 20 0 CDADMM CCC[C@@H](NCC(=O)NCc1cccc(OC)c1)C(=O)[O-] ZINC000036839879 423945384 /nfs/dbraw/zinc/94/53/84/423945384.db2.gz SSUUKQXRZZXHTM-CYBMUJFWSA-N -1 1 294.351 1.154 20 0 CDADMM C[C@@]1(C(=O)[O-])CCN(Cc2cc3n(n2)CCCC3)C1 ZINC000652486440 424487775 /nfs/dbraw/zinc/48/77/75/424487775.db2.gz CIVBHOSOUCEICY-CQSZACIVSA-N -1 1 263.341 1.516 20 0 CDADMM Nc1cc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)ccn1 ZINC000652470119 424464466 /nfs/dbraw/zinc/46/44/66/424464466.db2.gz OBWDFPFBMOBLST-CQSZACIVSA-N -1 1 283.331 1.678 20 0 CDADMM O=C([O-])C[C@H]1COCCN1CC1CCC(F)(F)CC1 ZINC000652475463 424467983 /nfs/dbraw/zinc/46/79/83/424467983.db2.gz WZHFCFLFYZKTAH-NSHDSACASA-N -1 1 277.311 1.987 20 0 CDADMM O=C([O-])C[C@@H]1COCCN1CC1CCC(F)(F)CC1 ZINC000652475462 424468710 /nfs/dbraw/zinc/46/87/10/424468710.db2.gz WZHFCFLFYZKTAH-LLVKDONJSA-N -1 1 277.311 1.987 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccc2[nH]nnc2c1 ZINC000653317692 424566690 /nfs/dbraw/zinc/56/66/90/424566690.db2.gz FAYRSADPFFCOEJ-RDDDGLTNSA-N -1 1 274.280 1.036 20 0 CDADMM CC1=CCCN(c2nc(-c3nn[n-]n3)ccc2C)C1 ZINC001590162107 1173279256 /nfs/dbraw/zinc/27/92/56/1173279256.db2.gz YTUFADOZILEGSL-UHFFFAOYSA-N -1 1 256.313 1.727 20 0 CDADMM COc1cc(C(=O)[N-]c2ncccc2NC(C)=O)on1 ZINC000188846545 270273365 /nfs/dbraw/zinc/27/33/65/270273365.db2.gz ASEPYVFHHFFKRN-UHFFFAOYSA-N -1 1 276.252 1.289 20 0 CDADMM CCC[C@@H](CNc1nc2[nH][n-]cc-2c(=O)n1)OCC ZINC000528085779 270762166 /nfs/dbraw/zinc/76/21/66/270762166.db2.gz VNKAHDWSQHQTOK-QMMMGPOBSA-N -1 1 265.317 1.049 20 0 CDADMM Cc1ccccc1[C@H](O)CN1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000530170084 271127075 /nfs/dbraw/zinc/12/70/75/271127075.db2.gz QARGBPPINLZLIU-BNOWGMLFSA-N -1 1 279.336 1.202 20 0 CDADMM C[C@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001590265179 1173326742 /nfs/dbraw/zinc/32/67/42/1173326742.db2.gz WQJDJLYVTIBUKC-QMMMGPOBSA-N -1 1 292.368 1.480 20 0 CDADMM C[C@@H]1OCC[C@@H]1OC(=O)c1sccc1-c1nn[n-]n1 ZINC001590335053 1173361426 /nfs/dbraw/zinc/36/14/26/1173361426.db2.gz BZTAMODVSRCXGP-XPUUQOCRSA-N -1 1 280.309 1.262 20 0 CDADMM CC[C@H](C)C[C@@H](CO)Nc1cccnc1-c1nnn[n-]1 ZINC001590405637 1173392664 /nfs/dbraw/zinc/39/26/64/1173392664.db2.gz AHKXBHZCIDQYLM-UWVGGRQHSA-N -1 1 276.344 1.471 20 0 CDADMM CC[C@H](C)C[C@@H](CO)Nc1cccnc1-c1nn[n-]n1 ZINC001590405637 1173392669 /nfs/dbraw/zinc/39/26/69/1173392669.db2.gz AHKXBHZCIDQYLM-UWVGGRQHSA-N -1 1 276.344 1.471 20 0 CDADMM C[C@@H]1c2ccccc2CN1C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000353716174 279136325 /nfs/dbraw/zinc/13/63/25/279136325.db2.gz YRFUSANSZUIHPL-SECBINFHSA-N -1 1 295.302 1.135 20 0 CDADMM CCO[C@H]1C[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C12CCCCC2 ZINC000092618833 279290661 /nfs/dbraw/zinc/29/06/61/279290661.db2.gz FLAUGUBOGPYKMX-NEPJUHHUSA-N -1 1 294.399 1.658 20 0 CDADMM C[C@@](NC(=O)c1cc(F)cc2nc[nH]c21)(C(=O)[O-])C1CC1 ZINC000237725828 280185959 /nfs/dbraw/zinc/18/59/59/280185959.db2.gz HXIGOAYSZBTFJO-AWEZNQCLSA-N -1 1 291.282 1.685 20 0 CDADMM CCC[C@H](NC(=O)[C@H]1CCC[C@@H](C)C1)c1nn[n-]n1 ZINC000246085072 280251476 /nfs/dbraw/zinc/25/14/76/280251476.db2.gz IBTUOLNKNCYUKT-VWYCJHECSA-N -1 1 265.361 1.983 20 0 CDADMM NC(=O)[C@@H]1CCC[C@H](C(=O)Nc2cccc(F)c2[O-])C1 ZINC000530004170 281412844 /nfs/dbraw/zinc/41/28/44/281412844.db2.gz CNDHIPIZMHILFG-BDAKNGLRSA-N -1 1 280.299 1.762 20 0 CDADMM Cc1scnc1[N-]S(=O)(=O)N1CCC[C@@H]1C ZINC000530141198 281451855 /nfs/dbraw/zinc/45/18/55/281451855.db2.gz VCLWPFJMHCNJPM-ZETCQYMHSA-N -1 1 261.372 1.593 20 0 CDADMM CS(=O)(=O)c1cc(C(=O)Nc2ccncc2[O-])cs1 ZINC000153523377 289172440 /nfs/dbraw/zinc/17/24/40/289172440.db2.gz DOVAGZBJRXMFMY-UHFFFAOYSA-N -1 1 298.345 1.505 20 0 CDADMM CC[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001590514859 1173447138 /nfs/dbraw/zinc/44/71/38/1173447138.db2.gz PCVOBAXHGZBGEA-VIFPVBQESA-N -1 1 259.317 1.201 20 0 CDADMM CC[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001590514859 1173447142 /nfs/dbraw/zinc/44/71/42/1173447142.db2.gz PCVOBAXHGZBGEA-VIFPVBQESA-N -1 1 259.317 1.201 20 0 CDADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cnc[nH]1 ZINC000556177808 290257466 /nfs/dbraw/zinc/25/74/66/290257466.db2.gz NCDFDYYQBTWBBQ-UHFFFAOYSA-N -1 1 269.301 1.966 20 0 CDADMM CCc1cc(C(=O)N2CCC(CCC(=O)[O-])CC2)n[nH]1 ZINC000558139456 290381376 /nfs/dbraw/zinc/38/13/76/290381376.db2.gz VXHIFTGWJKZWQX-UHFFFAOYSA-N -1 1 279.340 1.689 20 0 CDADMM Cn1cc(-c2nn(C)cc2NC(=O)c2ccccc2[O-])cn1 ZINC000559463365 290450511 /nfs/dbraw/zinc/45/05/11/290450511.db2.gz LFBRYVREVBVGKO-UHFFFAOYSA-N -1 1 297.318 1.779 20 0 CDADMM CCC[C@H](C)CC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590549588 1173456750 /nfs/dbraw/zinc/45/67/50/1173456750.db2.gz JSSSGIWYDPIPSD-QMMMGPOBSA-N -1 1 277.332 1.365 20 0 CDADMM CCC[C@H](C)CC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590549588 1173456753 /nfs/dbraw/zinc/45/67/53/1173456753.db2.gz JSSSGIWYDPIPSD-QMMMGPOBSA-N -1 1 277.332 1.365 20 0 CDADMM Cc1cnc(C(=O)N2CCOC[C@H]2[C@H]2CCCO2)c([O-])c1 ZINC000329342952 292873906 /nfs/dbraw/zinc/87/39/06/292873906.db2.gz BFCQKAQJTYOTCW-WCQYABFASA-N -1 1 292.335 1.116 20 0 CDADMM CN(C)[C@H](CNC(=O)CCC(=O)[O-])c1cccc(F)c1 ZINC000560374590 293028813 /nfs/dbraw/zinc/02/88/13/293028813.db2.gz WXDVGESFZMZBLS-GFCCVEGCSA-N -1 1 282.315 1.409 20 0 CDADMM CCc1cnc(CS(=O)(=O)c2n[n-]c(C3CC3)n2)o1 ZINC000561416011 293083394 /nfs/dbraw/zinc/08/33/94/293083394.db2.gz IOLFYVBQHFJOCC-UHFFFAOYSA-N -1 1 282.325 1.206 20 0 CDADMM CCC[C@H](C)S(=O)(=O)Oc1cccnc1-c1nn[n-]n1 ZINC001590552663 1173460677 /nfs/dbraw/zinc/46/06/77/1173460677.db2.gz GHNIRTFHJMYVAM-QMMMGPOBSA-N -1 1 297.340 1.159 20 0 CDADMM CCC[C@H](CNC(=O)c1cc(-c2nnn[n-]2)oc1C)OC ZINC001590557965 1173460979 /nfs/dbraw/zinc/46/09/79/1173460979.db2.gz VYPFXQGCTAHBEE-SECBINFHSA-N -1 1 293.327 1.313 20 0 CDADMM CCC[C@H](CNC(=O)c1cc(-c2nn[n-]n2)oc1C)OC ZINC001590557965 1173460984 /nfs/dbraw/zinc/46/09/84/1173460984.db2.gz VYPFXQGCTAHBEE-SECBINFHSA-N -1 1 293.327 1.313 20 0 CDADMM COCc1nc(=NC[C@]2(C)CCO[C@@H]2C2CC2)s[n-]1 ZINC000368765309 293327219 /nfs/dbraw/zinc/32/72/19/293327219.db2.gz NOLKPIZJLCLEHU-YPMHNXCESA-N -1 1 283.397 1.724 20 0 CDADMM CCCC[C@H](NCc1ccc(-c2nn[n-]n2)o1)C(=O)OC ZINC001590581735 1173468274 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CN(C)Cc1ccnc(NC(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000833689527 605263680 /nfs/dbraw/zinc/26/36/80/605263680.db2.gz FVNIEJORTVCLHS-UHFFFAOYSA-N -1 1 293.367 1.973 20 0 CDADMM COC[C@@](C)(CC(=O)[O-])NCc1nnc(C2CCC2)n1C ZINC000833722590 605266634 /nfs/dbraw/zinc/26/66/34/605266634.db2.gz YZIGORBTVHWRDJ-CQSZACIVSA-N -1 1 296.371 1.052 20 0 CDADMM C[C@@H]1CN(C(=O)/C=C\c2ccco2)CCN1CCC(=O)[O-] ZINC000833619616 605278966 /nfs/dbraw/zinc/27/89/66/605278966.db2.gz UJVIBTNRKFICES-QMAVJUDZSA-N -1 1 292.335 1.300 20 0 CDADMM CC1=C(C(=O)[O-])C[C@H](CN(C)Cc2ccco2)O1 ZINC000833585482 605316991 /nfs/dbraw/zinc/31/69/91/605316991.db2.gz WYOSJGWFZVQRSO-LLVKDONJSA-N -1 1 251.282 1.859 20 0 CDADMM Oc1cccc2c1CC[C@H]2Nc1nccnc1-c1nnn[n-]1 ZINC000823732166 606064446 /nfs/dbraw/zinc/06/44/46/606064446.db2.gz IMVQOYQCPAPHLQ-SNVBAGLBSA-N -1 1 295.306 1.462 20 0 CDADMM Oc1cccc2c1CC[C@H]2Nc1nccnc1-c1nn[n-]n1 ZINC000823732166 606064452 /nfs/dbraw/zinc/06/44/52/606064452.db2.gz IMVQOYQCPAPHLQ-SNVBAGLBSA-N -1 1 295.306 1.462 20 0 CDADMM O=C(OC[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823400503 606134967 /nfs/dbraw/zinc/13/49/67/606134967.db2.gz FANSGGYHFMOJNH-SSDOTTSWSA-N -1 1 280.309 1.122 20 0 CDADMM O=C(OC[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823400503 606134968 /nfs/dbraw/zinc/13/49/68/606134968.db2.gz FANSGGYHFMOJNH-SSDOTTSWSA-N -1 1 280.309 1.122 20 0 CDADMM OCC1(CNc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000823715946 606143210 /nfs/dbraw/zinc/14/32/10/606143210.db2.gz ZPOAHCRORMYFPL-UHFFFAOYSA-N -1 1 286.748 1.161 20 0 CDADMM OCC1(CNc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000823715946 606143211 /nfs/dbraw/zinc/14/32/11/606143211.db2.gz ZPOAHCRORMYFPL-UHFFFAOYSA-N -1 1 286.748 1.161 20 0 CDADMM COC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(C)C ZINC000821683771 606180680 /nfs/dbraw/zinc/18/06/80/606180680.db2.gz JWCPDIYIXWEPNW-MRVPVSSYSA-N -1 1 296.352 1.756 20 0 CDADMM COC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(C)C ZINC000821683771 606180681 /nfs/dbraw/zinc/18/06/81/606180681.db2.gz JWCPDIYIXWEPNW-MRVPVSSYSA-N -1 1 296.352 1.756 20 0 CDADMM Clc1ccc(NCCn2ccnc2)nc1-c1nnn[n-]1 ZINC000822578749 606440524 /nfs/dbraw/zinc/44/05/24/606440524.db2.gz PILFNYUQFQYAKV-UHFFFAOYSA-N -1 1 290.718 1.224 20 0 CDADMM Clc1ccc(NCCn2ccnc2)nc1-c1nn[n-]n1 ZINC000822578749 606440526 /nfs/dbraw/zinc/44/05/26/606440526.db2.gz PILFNYUQFQYAKV-UHFFFAOYSA-N -1 1 290.718 1.224 20 0 CDADMM Clc1ccc(N2C[C@H]3CCC[C@H]32)nc1-c1nnn[n-]1 ZINC000822573630 606467314 /nfs/dbraw/zinc/46/73/14/606467314.db2.gz CLFNGKIYJXIEBG-VXNVDRBHSA-N -1 1 276.731 1.904 20 0 CDADMM Clc1ccc(N2C[C@H]3CCC[C@H]32)nc1-c1nn[n-]n1 ZINC000822573630 606467315 /nfs/dbraw/zinc/46/73/15/606467315.db2.gz CLFNGKIYJXIEBG-VXNVDRBHSA-N -1 1 276.731 1.904 20 0 CDADMM CN(Cc1ccon1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821615631 606468697 /nfs/dbraw/zinc/46/86/97/606468697.db2.gz GHVYDKSPCVYDEZ-UHFFFAOYSA-N -1 1 291.702 1.540 20 0 CDADMM CN(Cc1ccon1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821615631 606468700 /nfs/dbraw/zinc/46/87/00/606468700.db2.gz GHVYDKSPCVYDEZ-UHFFFAOYSA-N -1 1 291.702 1.540 20 0 CDADMM C[C@H]1C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820665737 606525886 /nfs/dbraw/zinc/52/58/86/606525886.db2.gz GMWGVROSXUSVBL-BQBZGAKWSA-N -1 1 263.326 1.314 20 0 CDADMM C[C@H]1C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820665737 606525887 /nfs/dbraw/zinc/52/58/87/606525887.db2.gz GMWGVROSXUSVBL-BQBZGAKWSA-N -1 1 263.326 1.314 20 0 CDADMM CN(CC(F)F)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821594989 606550874 /nfs/dbraw/zinc/55/08/74/606550874.db2.gz JFTGCWUGWPKQRY-UHFFFAOYSA-N -1 1 273.268 1.265 20 0 CDADMM CN(CC(F)F)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821594989 606550875 /nfs/dbraw/zinc/55/08/75/606550875.db2.gz JFTGCWUGWPKQRY-UHFFFAOYSA-N -1 1 273.268 1.265 20 0 CDADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)ccn1 ZINC000822209540 606560637 /nfs/dbraw/zinc/56/06/37/606560637.db2.gz MXXQXYAVEMBKAU-UHFFFAOYSA-N -1 1 286.320 1.306 20 0 CDADMM Cc1ccccc1CCCn1cnc(-c2nn[n-]n2)n1 ZINC000822356388 606607739 /nfs/dbraw/zinc/60/77/39/606607739.db2.gz QNECKEAWIFJOHK-UHFFFAOYSA-N -1 1 269.312 1.399 20 0 CDADMM COc1cccc(CCNc2cccc(-c3nnn[n-]3)n2)n1 ZINC000821867324 606633478 /nfs/dbraw/zinc/63/34/78/606633478.db2.gz BQQORMJBBIYLAX-UHFFFAOYSA-N -1 1 297.322 1.320 20 0 CDADMM COc1cccc(CCNc2cccc(-c3nn[n-]n3)n2)n1 ZINC000821867324 606633479 /nfs/dbraw/zinc/63/34/79/606633479.db2.gz BQQORMJBBIYLAX-UHFFFAOYSA-N -1 1 297.322 1.320 20 0 CDADMM CC[C@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820951029 606957633 /nfs/dbraw/zinc/95/76/33/606957633.db2.gz VFGPHCPZTLGECD-CQSZACIVSA-N -1 1 286.339 1.524 20 0 CDADMM CC[C@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820951029 606957635 /nfs/dbraw/zinc/95/76/35/606957635.db2.gz VFGPHCPZTLGECD-CQSZACIVSA-N -1 1 286.339 1.524 20 0 CDADMM CCC(=CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)CC ZINC000820831720 607092889 /nfs/dbraw/zinc/09/28/89/607092889.db2.gz BDCPHSFZLOPWOQ-UHFFFAOYSA-N -1 1 275.316 1.285 20 0 CDADMM CCC(=CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)CC ZINC000820831720 607092888 /nfs/dbraw/zinc/09/28/88/607092888.db2.gz BDCPHSFZLOPWOQ-UHFFFAOYSA-N -1 1 275.316 1.285 20 0 CDADMM c1[nH]nc(NCc2cc3ccccc3o2)c1-c1nnn[n-]1 ZINC000823802040 607161966 /nfs/dbraw/zinc/16/19/66/607161966.db2.gz FZLLKUQXLJGCNG-UHFFFAOYSA-N -1 1 281.279 1.948 20 0 CDADMM c1[nH]nc(NCc2cc3ccccc3o2)c1-c1nn[n-]n1 ZINC000823802040 607161967 /nfs/dbraw/zinc/16/19/67/607161967.db2.gz FZLLKUQXLJGCNG-UHFFFAOYSA-N -1 1 281.279 1.948 20 0 CDADMM Cc1cnc(CNc2cccc(-c3nnn[n-]3)n2)o1 ZINC000826318522 607901195 /nfs/dbraw/zinc/90/11/95/607901195.db2.gz MQMIIEBYRZRJTH-UHFFFAOYSA-N -1 1 257.257 1.170 20 0 CDADMM Cc1cnc(CNc2cccc(-c3nn[n-]n3)n2)o1 ZINC000826318522 607901196 /nfs/dbraw/zinc/90/11/96/607901196.db2.gz MQMIIEBYRZRJTH-UHFFFAOYSA-N -1 1 257.257 1.170 20 0 CDADMM CC1=CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000824860392 607903976 /nfs/dbraw/zinc/90/39/76/607903976.db2.gz UJKPKLMKYLPVBP-UHFFFAOYSA-N -1 1 293.334 1.966 20 0 CDADMM CC1=CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000824860392 607903977 /nfs/dbraw/zinc/90/39/77/607903977.db2.gz UJKPKLMKYLPVBP-UHFFFAOYSA-N -1 1 293.334 1.966 20 0 CDADMM CC=CC=CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825028298 607999074 /nfs/dbraw/zinc/99/90/74/607999074.db2.gz GSDHTWGAYDVOJB-IAROGAJJSA-N -1 1 271.280 1.643 20 0 CDADMM Cc1ccccc1NC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000826307373 608012673 /nfs/dbraw/zinc/01/26/73/608012673.db2.gz FWWJFFRMLVYWII-UHFFFAOYSA-N -1 1 283.295 1.010 20 0 CDADMM Cc1ccccc1NC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000826307373 608012674 /nfs/dbraw/zinc/01/26/74/608012674.db2.gz FWWJFFRMLVYWII-UHFFFAOYSA-N -1 1 283.295 1.010 20 0 CDADMM COc1cccc(Cn2ccnc2-c2nnn[n-]2)c1 ZINC000101150896 608013051 /nfs/dbraw/zinc/01/30/51/608013051.db2.gz KTRBRMNAOYSVSS-UHFFFAOYSA-N -1 1 256.269 1.120 20 0 CDADMM COc1cccc(Cn2ccnc2-c2nn[n-]n2)c1 ZINC000101150896 608013052 /nfs/dbraw/zinc/01/30/52/608013052.db2.gz KTRBRMNAOYSVSS-UHFFFAOYSA-N -1 1 256.269 1.120 20 0 CDADMM c1coc(-c2nc(Cn3ccnc3-c3nnn[n-]3)cs2)c1 ZINC000826525917 608013173 /nfs/dbraw/zinc/01/31/73/608013173.db2.gz DSNATNCPZORNDT-UHFFFAOYSA-N -1 1 299.319 1.828 20 0 CDADMM c1coc(-c2nc(Cn3ccnc3-c3nn[n-]n3)cs2)c1 ZINC000826525917 608013174 /nfs/dbraw/zinc/01/31/74/608013174.db2.gz DSNATNCPZORNDT-UHFFFAOYSA-N -1 1 299.319 1.828 20 0 CDADMM CC[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@@H]1O ZINC000825211275 608017708 /nfs/dbraw/zinc/01/77/08/608017708.db2.gz LPMKZRVDHQRFHE-CBAPKCEASA-N -1 1 294.746 1.122 20 0 CDADMM CC[C@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@@H]1O ZINC000825211275 608017709 /nfs/dbraw/zinc/01/77/09/608017709.db2.gz LPMKZRVDHQRFHE-CBAPKCEASA-N -1 1 294.746 1.122 20 0 CDADMM O=C(CCCn1ccnc1-c1nnn[n-]1)c1ccccc1 ZINC000826406838 608149239 /nfs/dbraw/zinc/14/92/39/608149239.db2.gz PMQIPWLNOUBDDN-UHFFFAOYSA-N -1 1 282.307 1.726 20 0 CDADMM O=C(CCCn1ccnc1-c1nn[n-]n1)c1ccccc1 ZINC000826406838 608149241 /nfs/dbraw/zinc/14/92/41/608149241.db2.gz PMQIPWLNOUBDDN-UHFFFAOYSA-N -1 1 282.307 1.726 20 0 CDADMM Fc1cccc(Cn2ccnc2-c2nnn[n-]2)c1Cl ZINC000826377049 608220785 /nfs/dbraw/zinc/22/07/85/608220785.db2.gz BSRNOSVRWHGBFM-UHFFFAOYSA-N -1 1 278.678 1.904 20 0 CDADMM Fc1cccc(Cn2ccnc2-c2nn[n-]n2)c1Cl ZINC000826377049 608220786 /nfs/dbraw/zinc/22/07/86/608220786.db2.gz BSRNOSVRWHGBFM-UHFFFAOYSA-N -1 1 278.678 1.904 20 0 CDADMM C[C@@]1(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CCCOC1 ZINC000824839129 608244596 /nfs/dbraw/zinc/24/45/96/608244596.db2.gz ZPWLTCOWKLLKLV-GFCCVEGCSA-N -1 1 294.746 1.896 20 0 CDADMM C[C@@]1(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CCCOC1 ZINC000824839129 608244598 /nfs/dbraw/zinc/24/45/98/608244598.db2.gz ZPWLTCOWKLLKLV-GFCCVEGCSA-N -1 1 294.746 1.896 20 0 CDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC000824429829 608389660 /nfs/dbraw/zinc/38/96/60/608389660.db2.gz ZCCRKIFIRCDEQD-JTQLQIEISA-N -1 1 281.323 1.872 20 0 CDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC000824429829 608389662 /nfs/dbraw/zinc/38/96/62/608389662.db2.gz ZCCRKIFIRCDEQD-JTQLQIEISA-N -1 1 281.323 1.872 20 0 CDADMM C[C@@H](Cc1cccs1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824457014 608395911 /nfs/dbraw/zinc/39/59/11/608395911.db2.gz CMQRZOSYQBTSNW-QMMMGPOBSA-N -1 1 287.352 1.761 20 0 CDADMM C[C@@H](Cc1cccs1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824457014 608395913 /nfs/dbraw/zinc/39/59/13/608395913.db2.gz CMQRZOSYQBTSNW-QMMMGPOBSA-N -1 1 287.352 1.761 20 0 CDADMM COc1cccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826214214 608402098 /nfs/dbraw/zinc/40/20/98/608402098.db2.gz DQMPDOMHRIJSMI-SECBINFHSA-N -1 1 297.322 1.838 20 0 CDADMM COc1cccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826214214 608402100 /nfs/dbraw/zinc/40/21/00/608402100.db2.gz DQMPDOMHRIJSMI-SECBINFHSA-N -1 1 297.322 1.838 20 0 CDADMM CSc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826230824 608403180 /nfs/dbraw/zinc/40/31/80/608403180.db2.gz LAPBRWZBVDXJAK-UHFFFAOYSA-N -1 1 299.363 1.991 20 0 CDADMM CSc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826230824 608403182 /nfs/dbraw/zinc/40/31/82/608403182.db2.gz LAPBRWZBVDXJAK-UHFFFAOYSA-N -1 1 299.363 1.991 20 0 CDADMM C[C@@H](CN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC000824413854 608411329 /nfs/dbraw/zinc/41/13/29/608411329.db2.gz QTFGXASPLPELLC-NSHDSACASA-N -1 1 295.350 1.897 20 0 CDADMM C[C@@H](CN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC000824413854 608411330 /nfs/dbraw/zinc/41/13/30/608411330.db2.gz QTFGXASPLPELLC-NSHDSACASA-N -1 1 295.350 1.897 20 0 CDADMM C[C@@H]1CC[C@H](C)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC000824906933 608425730 /nfs/dbraw/zinc/42/57/30/608425730.db2.gz FOWMUUROZLFTDF-DTWKUNHWSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@@H]1CC[C@H](C)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC000824906933 608425731 /nfs/dbraw/zinc/42/57/31/608425731.db2.gz FOWMUUROZLFTDF-DTWKUNHWSA-N -1 1 259.317 1.282 20 0 CDADMM Cc1noc(C)c1CN(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000826339281 608588837 /nfs/dbraw/zinc/58/88/37/608588837.db2.gz YNBOABMMWVRRBT-UHFFFAOYSA-N -1 1 288.311 1.697 20 0 CDADMM Cc1noc(C)c1CN(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000826339281 608588838 /nfs/dbraw/zinc/58/88/38/608588838.db2.gz YNBOABMMWVRRBT-UHFFFAOYSA-N -1 1 288.311 1.697 20 0 CDADMM CC(C)(O)C(C)(C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824165873 609262419 /nfs/dbraw/zinc/26/24/19/609262419.db2.gz BTSHOZAGZHZMNO-UHFFFAOYSA-N -1 1 295.368 1.208 20 0 CDADMM CC(C)(O)C(C)(C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824165873 609262420 /nfs/dbraw/zinc/26/24/20/609262420.db2.gz BTSHOZAGZHZMNO-UHFFFAOYSA-N -1 1 295.368 1.208 20 0 CDADMM O=C(CCc1nn[n-]n1)N1CC2(CC2)Oc2ccccc21 ZINC000890618104 617234380 /nfs/dbraw/zinc/23/43/80/617234380.db2.gz AKSBGLWONCFFSF-UHFFFAOYSA-N -1 1 285.307 1.091 20 0 CDADMM O=C(N[C@@H]1CC12CC(O)C2)c1c([O-])cccc1Cl ZINC000888959051 617365084 /nfs/dbraw/zinc/36/50/84/617365084.db2.gz JTISYIMBKRBCIQ-OILJVLCYSA-N -1 1 267.712 1.689 20 0 CDADMM CNC(=O)C1CCC(Nc2cc(=O)[n-]c(COC)n2)CC1 ZINC000893169024 617434346 /nfs/dbraw/zinc/43/43/46/617434346.db2.gz PJRYTFGSQCFJSX-UHFFFAOYSA-N -1 1 294.355 1.045 20 0 CDADMM CC(=O)N[C@H](C)[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000953595741 614108489 /nfs/dbraw/zinc/10/84/89/614108489.db2.gz QXNIZUDVVRIIFZ-ZYHUDNBSSA-N -1 1 291.351 1.307 20 0 CDADMM CCCC(=O)N1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000955858644 614775789 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1.693 20 0 CDADMM COc1ccc(NC(=O)CN[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000035391188 632061371 /nfs/dbraw/zinc/06/13/71/632061371.db2.gz DCAFPWZTALDKHH-CYBMUJFWSA-N -1 1 280.324 1.333 20 0 CDADMM Cc1ncc(Cl)cc1Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001170219292 1162302694 /nfs/dbraw/zinc/30/26/94/1162302694.db2.gz NSZMTZWKONWUGV-UHFFFAOYSA-N -1 1 292.686 1.816 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2ccc3cc[nH]c3n2)[n-]1 ZINC001170234109 1162309418 /nfs/dbraw/zinc/30/94/18/1162309418.db2.gz RVBRLASMIBOKHS-UHFFFAOYSA-N -1 1 267.252 1.678 20 0 CDADMM Cc1cc2cc(Nc3[n-]c(=O)nc4nc[nH]c43)ncc2[nH]1 ZINC001170227102 1162316850 /nfs/dbraw/zinc/31/68/50/1162316850.db2.gz YXRYNLIMZOLZDU-UHFFFAOYSA-N -1 1 281.279 1.987 20 0 CDADMM O=C(CCc1nc2ccccc2[nH]1)Nc1c[n-][nH]c1=O ZINC001648814089 1158574425 /nfs/dbraw/zinc/57/44/25/1158574425.db2.gz GVDMTDFBHVKFJY-UHFFFAOYSA-N -1 1 271.280 1.563 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cnc2ccccc2c1O ZINC001648813977 1158574470 /nfs/dbraw/zinc/57/44/70/1158574470.db2.gz CUMUJIQQPAWLQG-UHFFFAOYSA-N -1 1 270.248 1.209 20 0 CDADMM CN(CCc1nc2ccccc2[nH]1)C(=O)c1cncc([O-])c1 ZINC001648867528 1158588319 /nfs/dbraw/zinc/58/83/19/1158588319.db2.gz XNHVUZOQPYLFCR-UHFFFAOYSA-N -1 1 296.330 1.978 20 0 CDADMM Cc1nn(C)cc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001625894275 1159578951 /nfs/dbraw/zinc/57/89/51/1159578951.db2.gz VJWWIMXPGRWHLS-UHFFFAOYSA-N -1 1 267.235 1.965 20 0 CDADMM O=C(COC(=O)c1ccc(O)cc1)c1ccc([O-])cc1O ZINC000018321423 1159593638 /nfs/dbraw/zinc/59/36/38/1159593638.db2.gz YWMLHVUMERJSAY-UHFFFAOYSA-N -1 1 288.255 1.843 20 0 CDADMM CCCC(O)(CCC)CNc1cncc(-c2nnn[n-]2)n1 ZINC001604145758 1163104381 /nfs/dbraw/zinc/10/43/81/1163104381.db2.gz WFOYXSRREUMSFC-UHFFFAOYSA-N -1 1 291.359 1.400 20 0 CDADMM CCCC(O)(CCC)CNc1cncc(-c2nn[n-]n2)n1 ZINC001604145758 1163104384 /nfs/dbraw/zinc/10/43/84/1163104384.db2.gz WFOYXSRREUMSFC-UHFFFAOYSA-N -1 1 291.359 1.400 20 0 CDADMM CCC[C@@H](NCc1ccc(-c2nn[n-]n2)s1)C(=O)OC ZINC001604237372 1163130648 /nfs/dbraw/zinc/13/06/48/1163130648.db2.gz HOOBQSDGLAAOJH-SECBINFHSA-N -1 1 295.368 1.360 20 0 CDADMM C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1nc(C(=O)[O-])co1 ZINC001604325531 1163149349 /nfs/dbraw/zinc/14/93/49/1163149349.db2.gz OOAUMPWEOUEMJE-HLFFCZDVSA-N -1 1 280.324 1.837 20 0 CDADMM CCN(Cc1ccnc(-c2nnn[n-]2)c1)c1cccc(O)c1 ZINC001604325235 1163150573 /nfs/dbraw/zinc/15/05/73/1163150573.db2.gz QSNUNCPAVRAQEA-UHFFFAOYSA-N -1 1 296.334 1.994 20 0 CDADMM CCN(Cc1ccnc(-c2nn[n-]n2)c1)c1cccc(O)c1 ZINC001604325235 1163150579 /nfs/dbraw/zinc/15/05/79/1163150579.db2.gz QSNUNCPAVRAQEA-UHFFFAOYSA-N -1 1 296.334 1.994 20 0 CDADMM CN(CC1CCC1)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001604729276 1163299726 /nfs/dbraw/zinc/29/97/26/1163299726.db2.gz QZCDMNJDSFQSCM-UHFFFAOYSA-N -1 1 286.339 1.063 20 0 CDADMM CN(CC1CCC1)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001604729276 1163299730 /nfs/dbraw/zinc/29/97/30/1163299730.db2.gz QZCDMNJDSFQSCM-UHFFFAOYSA-N -1 1 286.339 1.063 20 0 CDADMM C[C@@H]1CN([C@H]2CCN(CCC(=O)[O-])C2=O)CCC1(F)F ZINC001604786081 1163322379 /nfs/dbraw/zinc/32/23/79/1163322379.db2.gz OSALYUWTRGVYHI-ZJUUUORDSA-N -1 1 290.310 1.039 20 0 CDADMM C[C@H]1C[N@@H+](CCC(C)(C)C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC001604796625 1163326895 /nfs/dbraw/zinc/32/68/95/1163326895.db2.gz QMHKOIXKKPLFNM-UWVGGRQHSA-N -1 1 257.330 1.530 20 0 CDADMM CO[C@@](C)(CNc1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001604997827 1163408346 /nfs/dbraw/zinc/40/83/46/1163408346.db2.gz JJIMRSUYWGULMP-ZDUSSCGKSA-N -1 1 289.343 1.192 20 0 CDADMM CO[C@@](C)(CNc1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001604997827 1163408349 /nfs/dbraw/zinc/40/83/49/1163408349.db2.gz JJIMRSUYWGULMP-ZDUSSCGKSA-N -1 1 289.343 1.192 20 0 CDADMM COC1([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)o2)CCC1 ZINC001605017339 1163417269 /nfs/dbraw/zinc/41/72/69/1163417269.db2.gz SSJZPDGVYVYFBE-MRVPVSSYSA-N -1 1 291.311 1.147 20 0 CDADMM COC1([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)o2)CCC1 ZINC001605017339 1163417271 /nfs/dbraw/zinc/41/72/71/1163417271.db2.gz SSJZPDGVYVYFBE-MRVPVSSYSA-N -1 1 291.311 1.147 20 0 CDADMM COc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001605322396 1163523562 /nfs/dbraw/zinc/52/35/62/1163523562.db2.gz XUPJGQYKTCOOOX-UHFFFAOYSA-N -1 1 285.263 1.721 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H](C)c2ccccn2)n1 ZINC001605554244 1163607853 /nfs/dbraw/zinc/60/78/53/1163607853.db2.gz MOTOICMGPBPCHB-JTQLQIEISA-N -1 1 296.338 1.558 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H](C)c2ccccn2)n1 ZINC001605554244 1163607858 /nfs/dbraw/zinc/60/78/58/1163607858.db2.gz MOTOICMGPBPCHB-JTQLQIEISA-N -1 1 296.338 1.558 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCC2(C)C)n1 ZINC001605573010 1163613288 /nfs/dbraw/zinc/61/32/88/1163613288.db2.gz PZPBEGLWMLZZJB-JTQLQIEISA-N -1 1 273.344 1.956 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCC2(C)C)n1 ZINC001605573010 1163613291 /nfs/dbraw/zinc/61/32/91/1163613291.db2.gz PZPBEGLWMLZZJB-JTQLQIEISA-N -1 1 273.344 1.956 20 0 CDADMM Cc1cc(N2CC[C@@H](C)[C@@H](CO)C2)cc(-c2nnn[n-]2)n1 ZINC001605694509 1163645368 /nfs/dbraw/zinc/64/53/68/1163645368.db2.gz OJWFKHPENZHGTB-MWLCHTKSSA-N -1 1 288.355 1.025 20 0 CDADMM Cc1cc(N2CC[C@@H](C)[C@@H](CO)C2)cc(-c2nn[n-]n2)n1 ZINC001605694509 1163645374 /nfs/dbraw/zinc/64/53/74/1163645374.db2.gz OJWFKHPENZHGTB-MWLCHTKSSA-N -1 1 288.355 1.025 20 0 CDADMM CCc1[nH]c(CN2C[C@H](O)[C@@H](C)C2)cc1C(=O)[O-] ZINC001605770701 1163664939 /nfs/dbraw/zinc/66/49/39/1163664939.db2.gz DLQLGFBJCALEJG-UFBFGSQYSA-N -1 1 252.314 1.088 20 0 CDADMM Cc1ccc(N[C@@H]2CO[C@@H](C3CC3)C2)c(-c2nnn[n-]2)n1 ZINC001605872181 1163700109 /nfs/dbraw/zinc/70/01/09/1163700109.db2.gz SKMCBOHFARDZIY-CMPLNLGQSA-N -1 1 286.339 1.550 20 0 CDADMM Cc1ccc(N[C@@H]2CO[C@@H](C3CC3)C2)c(-c2nn[n-]n2)n1 ZINC001605872181 1163700122 /nfs/dbraw/zinc/70/01/22/1163700122.db2.gz SKMCBOHFARDZIY-CMPLNLGQSA-N -1 1 286.339 1.550 20 0 CDADMM CCn1nncc1CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC001605946707 1163723476 /nfs/dbraw/zinc/72/34/76/1163723476.db2.gz BCZNYCVDQNTFEH-FZMZJTMJSA-N -1 1 288.351 1.850 20 0 CDADMM Cc1cnccc1CCNc1ccnc(-c2nnn[n-]2)c1 ZINC001605986101 1163736398 /nfs/dbraw/zinc/73/63/98/1163736398.db2.gz KFQHHMKMXPKMSU-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1cnccc1CCNc1ccnc(-c2nn[n-]n2)c1 ZINC001605986101 1163736405 /nfs/dbraw/zinc/73/64/05/1163736405.db2.gz KFQHHMKMXPKMSU-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM CN(Cc1nccn1CC(F)F)C(C)(C)CC(=O)[O-] ZINC001606177160 1163798926 /nfs/dbraw/zinc/79/89/26/1163798926.db2.gz PAYKBYHJOWICRV-UHFFFAOYSA-N -1 1 275.299 1.833 20 0 CDADMM ClC1(Cl)CC(Nc2ncncc2-c2nn[n-]n2)C1 ZINC001606185528 1163801233 /nfs/dbraw/zinc/80/12/33/1163801233.db2.gz VDIOAZAEZZAIBW-UHFFFAOYSA-N -1 1 286.126 1.405 20 0 CDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2CCCC23CC3)n1 ZINC001606221394 1163818048 /nfs/dbraw/zinc/81/80/48/1163818048.db2.gz FBOAROOYCYFZKH-SECBINFHSA-N -1 1 287.327 1.119 20 0 CDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CCCC23CC3)n1 ZINC001606221394 1163818052 /nfs/dbraw/zinc/81/80/52/1163818052.db2.gz FBOAROOYCYFZKH-SECBINFHSA-N -1 1 287.327 1.119 20 0 CDADMM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1CC1CC2(CCC2)C1 ZINC001606372859 1163880559 /nfs/dbraw/zinc/88/05/59/1163880559.db2.gz IOCVBYVVGBDWOR-OLZOCXBDSA-N -1 1 295.379 1.905 20 0 CDADMM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(CC=C(Cl)Cl)C1 ZINC001606393951 1163887393 /nfs/dbraw/zinc/88/73/93/1163887393.db2.gz KITLIWLXBQNUGD-SFYZADRCSA-N -1 1 296.150 1.644 20 0 CDADMM COC(=O)c1occc1CN1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001606636676 1163942922 /nfs/dbraw/zinc/94/29/22/1163942922.db2.gz VIJQZPGDICHLOE-MWLCHTKSSA-N -1 1 281.308 1.609 20 0 CDADMM O=C(N[C@H]1C=CCCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606649066 1163944277 /nfs/dbraw/zinc/94/42/77/1163944277.db2.gz YQZXFRUQUVSDEU-VIFPVBQESA-N -1 1 287.298 1.844 20 0 CDADMM O=C(N[C@H]1C=CCCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606649066 1163944287 /nfs/dbraw/zinc/94/42/87/1163944287.db2.gz YQZXFRUQUVSDEU-VIFPVBQESA-N -1 1 287.298 1.844 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)C1(C(F)F)CCCC1 ZINC001606892624 1164024871 /nfs/dbraw/zinc/02/48/71/1164024871.db2.gz RELIWYCUXMFZDV-UHFFFAOYSA-N -1 1 297.269 1.354 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)C1(C(F)F)CCCC1 ZINC001606892624 1164024879 /nfs/dbraw/zinc/02/48/79/1164024879.db2.gz RELIWYCUXMFZDV-UHFFFAOYSA-N -1 1 297.269 1.354 20 0 CDADMM O=C(Nc1n[nH]cc1C1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606951018 1164036428 /nfs/dbraw/zinc/03/64/28/1164036428.db2.gz XXGDLQIIDSCRKX-UHFFFAOYSA-N -1 1 296.294 1.115 20 0 CDADMM O=C(Nc1n[nH]cc1C1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606951018 1164036435 /nfs/dbraw/zinc/03/64/35/1164036435.db2.gz XXGDLQIIDSCRKX-UHFFFAOYSA-N -1 1 296.294 1.115 20 0 CDADMM O=C(OCc1cccnc1-c1nnn[n-]1)C12CC(C1)C2 ZINC001606982311 1164046748 /nfs/dbraw/zinc/04/67/48/1164046748.db2.gz LNWGUZIZVPXEBV-UHFFFAOYSA-N -1 1 271.280 1.105 20 0 CDADMM O=C(OCc1cccnc1-c1nn[n-]n1)C12CC(C1)C2 ZINC001606982311 1164046756 /nfs/dbraw/zinc/04/67/56/1164046756.db2.gz LNWGUZIZVPXEBV-UHFFFAOYSA-N -1 1 271.280 1.105 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1CC[C@H]1CCCC1(F)F ZINC001607089790 1164073973 /nfs/dbraw/zinc/07/39/73/1164073973.db2.gz BNALNMSHCAOEOO-SNVBAGLBSA-N -1 1 295.293 1.854 20 0 CDADMM c1nc(N2CCC23CCCC3)cnc1-c1nnn[n-]1 ZINC001607137435 1164092396 /nfs/dbraw/zinc/09/23/96/1164092396.db2.gz UEXHVTBRGWMTBT-UHFFFAOYSA-N -1 1 257.301 1.180 20 0 CDADMM c1nc(N2CCC23CCCC3)cnc1-c1nn[n-]n1 ZINC001607137435 1164092402 /nfs/dbraw/zinc/09/24/02/1164092402.db2.gz UEXHVTBRGWMTBT-UHFFFAOYSA-N -1 1 257.301 1.180 20 0 CDADMM c1cc(-c2cnc3n2CCOC3)sc1-c1nn[n-]n1 ZINC001607114508 1164093296 /nfs/dbraw/zinc/09/32/96/1164093296.db2.gz LWXLMHHOGVQGOA-UHFFFAOYSA-N -1 1 274.309 1.322 20 0 CDADMM c1ccc(Sc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001607130697 1164110071 /nfs/dbraw/zinc/11/00/71/1164110071.db2.gz FESQYXIXFCDULV-UHFFFAOYSA-N -1 1 256.294 1.808 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@@H]2CC[C@H](C3CC3)O2)c1 ZINC001607133339 1164112190 /nfs/dbraw/zinc/11/21/90/1164112190.db2.gz CYVUNZJGGYMXBN-CMPLNLGQSA-N -1 1 286.339 1.631 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@@H]2CC[C@H](C3CC3)O2)c1 ZINC001607133339 1164112193 /nfs/dbraw/zinc/11/21/93/1164112193.db2.gz CYVUNZJGGYMXBN-CMPLNLGQSA-N -1 1 286.339 1.631 20 0 CDADMM Cc1oncc1S(=O)(=O)[N-][C@H](CO)c1cccc(C)c1 ZINC001187414490 1164366337 /nfs/dbraw/zinc/36/63/37/1164366337.db2.gz SDYJHHBKUOHPGJ-GFCCVEGCSA-N -1 1 296.348 1.303 20 0 CDADMM Cn1cc(NC(=O)C(C)(C)N2CCCCC2)cc1C(=O)[O-] ZINC001608116237 1164414935 /nfs/dbraw/zinc/41/49/35/1164414935.db2.gz OMRAORAUQMYMRH-UHFFFAOYSA-N -1 1 293.367 1.926 20 0 CDADMM Nc1c(NC(=O)CCN2CC[C@H](F)C2)cccc1C(=O)[O-] ZINC001608269899 1164474313 /nfs/dbraw/zinc/47/43/13/1164474313.db2.gz FHLRTPQPWOLAAV-VIFPVBQESA-N -1 1 295.314 1.339 20 0 CDADMM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCN(C/C=C/Cl)CC1 ZINC001608611099 1164571826 /nfs/dbraw/zinc/57/18/26/1164571826.db2.gz NIBQPVCDKSAEGZ-HOXXMDGGSA-N -1 1 286.759 1.040 20 0 CDADMM O=C([O-])CN(C(=O)CCN1CC[C@H](F)C1)C1CCCC1 ZINC001608743174 1164625822 /nfs/dbraw/zinc/62/58/22/1164625822.db2.gz NQZBRYIRCQIGHR-NSHDSACASA-N -1 1 286.347 1.276 20 0 CDADMM O=C([O-])[C@@H]1OCC[C@@H]1NCc1cc(F)ccc1Cl ZINC001608814976 1164646414 /nfs/dbraw/zinc/64/64/14/1164646414.db2.gz KTZJIBJVSVNCDM-WDEREUQCSA-N -1 1 273.691 1.811 20 0 CDADMM O=CN1CCCN([C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC001609047605 1164740785 /nfs/dbraw/zinc/74/07/85/1164740785.db2.gz HHSFDYZRSUQQRY-ZDUSSCGKSA-N -1 1 280.299 1.116 20 0 CDADMM CC(C)(F)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001609084704 1164758972 /nfs/dbraw/zinc/75/89/72/1164758972.db2.gz WHEQFUOMQCGMTD-UHFFFAOYSA-N -1 1 271.277 1.115 20 0 CDADMM CC(C)(F)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001609084704 1164758979 /nfs/dbraw/zinc/75/89/79/1164758979.db2.gz WHEQFUOMQCGMTD-UHFFFAOYSA-N -1 1 271.277 1.115 20 0 CDADMM CC(C)O[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001609101919 1164771773 /nfs/dbraw/zinc/77/17/73/1164771773.db2.gz UTGFJHJJGDYHGV-SECBINFHSA-N -1 1 291.311 1.099 20 0 CDADMM CC(C)O[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001609101919 1164771781 /nfs/dbraw/zinc/77/17/81/1164771781.db2.gz UTGFJHJJGDYHGV-SECBINFHSA-N -1 1 291.311 1.099 20 0 CDADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)[C@@H](O)c1ccccc1 ZINC001609126986 1164782722 /nfs/dbraw/zinc/78/27/22/1164782722.db2.gz QMGRVJHFCNCFGG-IINYFYTJSA-N -1 1 296.334 1.796 20 0 CDADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)[C@@H](O)c1ccccc1 ZINC001609126986 1164782731 /nfs/dbraw/zinc/78/27/31/1164782731.db2.gz QMGRVJHFCNCFGG-IINYFYTJSA-N -1 1 296.334 1.796 20 0 CDADMM CC1=CCC[C@@H](C)[C@H]1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001609151669 1164800208 /nfs/dbraw/zinc/80/02/08/1164800208.db2.gz NIVJLTOHBIFVEW-ZJUUUORDSA-N -1 1 273.344 1.994 20 0 CDADMM CC1=CCC[C@@H](C)[C@H]1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001609151669 1164800217 /nfs/dbraw/zinc/80/02/17/1164800217.db2.gz NIVJLTOHBIFVEW-ZJUUUORDSA-N -1 1 273.344 1.994 20 0 CDADMM C[C@H]1CCC[C@H](Nc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001609163491 1164810674 /nfs/dbraw/zinc/81/06/74/1164810674.db2.gz AOWFWSZOZZENOG-IUCAKERBSA-N -1 1 259.317 1.647 20 0 CDADMM C[C@H]1CCC[C@H](Nc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001609163491 1164810681 /nfs/dbraw/zinc/81/06/81/1164810681.db2.gz AOWFWSZOZZENOG-IUCAKERBSA-N -1 1 259.317 1.647 20 0 CDADMM CCC(CC)(CO)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609188731 1164829680 /nfs/dbraw/zinc/82/96/80/1164829680.db2.gz CUOKTISXYXWSGD-UHFFFAOYSA-N -1 1 291.359 1.176 20 0 CDADMM CC[C@]1(C)CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001609196622 1164836376 /nfs/dbraw/zinc/83/63/76/1164836376.db2.gz UITOJSBMKSVOIS-CQSZACIVSA-N -1 1 287.371 1.982 20 0 CDADMM CC[C@]1(C)CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001609196622 1164836382 /nfs/dbraw/zinc/83/63/82/1164836382.db2.gz UITOJSBMKSVOIS-CQSZACIVSA-N -1 1 287.371 1.982 20 0 CDADMM CC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H](CC)O1 ZINC001609202176 1164841784 /nfs/dbraw/zinc/84/17/84/1164841784.db2.gz BBCFRHZZKOCSNY-NXEZZACHSA-N -1 1 289.343 1.051 20 0 CDADMM CC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H](CC)O1 ZINC001609202176 1164841792 /nfs/dbraw/zinc/84/17/92/1164841792.db2.gz BBCFRHZZKOCSNY-NXEZZACHSA-N -1 1 289.343 1.051 20 0 CDADMM COC1(c2noc(-c3ccnc(-c4nnn[n-]4)c3)n2)CCC1 ZINC001609311835 1164891372 /nfs/dbraw/zinc/89/13/72/1164891372.db2.gz GVVZIYYCCWRIFP-UHFFFAOYSA-N -1 1 299.294 1.337 20 0 CDADMM COC1(c2noc(-c3ccnc(-c4nn[n-]n4)c3)n2)CCC1 ZINC001609311835 1164891380 /nfs/dbraw/zinc/89/13/80/1164891380.db2.gz GVVZIYYCCWRIFP-UHFFFAOYSA-N -1 1 299.294 1.337 20 0 CDADMM COCC[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609321086 1164901980 /nfs/dbraw/zinc/90/19/80/1164901980.db2.gz NUOHHWQFZRBGNA-QMMMGPOBSA-N -1 1 295.368 1.331 20 0 CDADMM C[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001609375499 1164917312 /nfs/dbraw/zinc/91/73/12/1164917312.db2.gz AQGILNARHSKQEJ-BYPYZUCNSA-N -1 1 291.258 1.609 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCc1ccccn1 ZINC001609417162 1164939544 /nfs/dbraw/zinc/93/95/44/1164939544.db2.gz UKSKYZJQUKWIOY-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1ccncc1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609439351 1164948743 /nfs/dbraw/zinc/94/87/43/1164948743.db2.gz BRCQSEOHAQSXSG-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1ccncc1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609439351 1164948746 /nfs/dbraw/zinc/94/87/46/1164948746.db2.gz BRCQSEOHAQSXSG-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1cscc1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609444230 1164950793 /nfs/dbraw/zinc/95/07/93/1164950793.db2.gz RGJYVJDPILEOIZ-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM Cc1cscc1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609444230 1164950797 /nfs/dbraw/zinc/95/07/97/1164950797.db2.gz RGJYVJDPILEOIZ-UHFFFAOYSA-N -1 1 286.320 1.884 20 0 CDADMM Cc1nsc(NC[C@@H](C)C[C@@H](C)O)c1-c1nn[n-]n1 ZINC001609466439 1164962569 /nfs/dbraw/zinc/96/25/69/1164962569.db2.gz VPSBUTCVKBETOA-NKWVEPMBSA-N -1 1 282.373 1.451 20 0 CDADMM O=C(OCC1CCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609573822 1164993726 /nfs/dbraw/zinc/99/37/26/1164993726.db2.gz RLEKNQQKYSZPEV-UHFFFAOYSA-N -1 1 259.269 1.219 20 0 CDADMM O=C(OCC1CCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609573822 1164993731 /nfs/dbraw/zinc/99/37/31/1164993731.db2.gz RLEKNQQKYSZPEV-UHFFFAOYSA-N -1 1 259.269 1.219 20 0 CDADMM c1cc(N2CCCCCCC2)nc(-c2nn[n-]n2)n1 ZINC001609614189 1165010168 /nfs/dbraw/zinc/01/01/68/1165010168.db2.gz BLMJWYYXMUSPNP-UHFFFAOYSA-N -1 1 259.317 1.427 20 0 CDADMM c1ccc(NCCCNc2ccnc(-c3nn[n-]n3)c2)nc1 ZINC001609617855 1165013524 /nfs/dbraw/zinc/01/35/24/1165013524.db2.gz QZPKFWZEXJBQTA-UHFFFAOYSA-N -1 1 296.338 1.571 20 0 CDADMM CC(=O)NC[C@@H]1CCCN(Cc2cccc(C(=O)[O-])n2)C1 ZINC001609621468 1165018468 /nfs/dbraw/zinc/01/84/68/1165018468.db2.gz JHECCIKQLLBYPK-LBPRGKRZSA-N -1 1 291.351 1.128 20 0 CDADMM C[C@H](N1CCN(CC2(C(=O)[O-])CC2)CC1)C(F)(F)F ZINC001609757219 1165070113 /nfs/dbraw/zinc/07/01/13/1165070113.db2.gz JEEKWOMKIXLNFT-VIFPVBQESA-N -1 1 280.290 1.420 20 0 CDADMM COc1ccncc1CNCc1c[nH]c(C(=O)[O-])c1 ZINC001610370214 1165297288 /nfs/dbraw/zinc/29/72/88/1165297288.db2.gz YTTSIFHYCILVEH-UHFFFAOYSA-N -1 1 261.281 1.406 20 0 CDADMM Cn1c(CNC2(CC(=O)[O-])CC2)nnc1-c1ccccc1 ZINC001610597862 1165371282 /nfs/dbraw/zinc/37/12/82/1165371282.db2.gz SHFVOBINHMLWJS-UHFFFAOYSA-N -1 1 286.335 1.579 20 0 CDADMM Cn1nccc1[C@@H](NCc1cccc(F)c1)C(=O)[O-] ZINC001610616182 1165379381 /nfs/dbraw/zinc/37/93/81/1165379381.db2.gz VQKBCDLFKXFQTF-GFCCVEGCSA-N -1 1 263.272 1.475 20 0 CDADMM Cn1ncc(CN[C@H](CC(F)F)C(=O)[O-])c1Cl ZINC001610615793 1165379756 /nfs/dbraw/zinc/37/97/56/1165379756.db2.gz XTDYFWATIMUPFM-ZCFIWIBFSA-N -1 1 267.663 1.272 20 0 CDADMM O=C([O-])[C@@H](Cc1ccc(F)cc1)NCC(=O)N1CCCC1 ZINC001610714778 1165412849 /nfs/dbraw/zinc/41/28/49/1165412849.db2.gz LNYLYNXSJRKJEG-CYBMUJFWSA-N -1 1 294.326 1.033 20 0 CDADMM O=C([O-])[C@@H](c1cccnc1)N1CCc2ccc(O)cc2C1 ZINC001610724369 1165416566 /nfs/dbraw/zinc/41/65/66/1165416566.db2.gz DDQWLFBCKJTWQE-OAHLLOKOSA-N -1 1 284.315 1.971 20 0 CDADMM CN(C(=O)COc1cccc2ccccc21)c1nn[n-]n1 ZINC001617643145 1165602862 /nfs/dbraw/zinc/60/28/62/1165602862.db2.gz ZZXHRYMKASDEDA-UHFFFAOYSA-N -1 1 283.291 1.395 20 0 CDADMM CC(C)N1CCN(Cc2ccc(C(=O)[O-])o2)CC1 ZINC000036190362 1165749240 /nfs/dbraw/zinc/74/92/40/1165749240.db2.gz XHWARMUTRWAVIF-UHFFFAOYSA-N -1 1 252.314 1.504 20 0 CDADMM CC1N=NC(C(=O)Nc2ccc3c(c2)ncn3C)=C1[O-] ZINC001628941610 1166103386 /nfs/dbraw/zinc/10/33/86/1166103386.db2.gz MZNIJXHRWQCOAM-UHFFFAOYSA-N -1 1 271.280 1.563 20 0 CDADMM O=C(Nc1cccnc1-n1cccn1)c1ccc([O-])cn1 ZINC001629883431 1166168899 /nfs/dbraw/zinc/16/88/99/1166168899.db2.gz LQHIQZHDOZGZSC-UHFFFAOYSA-N -1 1 281.275 1.620 20 0 CDADMM Cc1ccc([C@H](O)CNC(=O)c2ccc([O-])cn2)o1 ZINC001630019211 1166180334 /nfs/dbraw/zinc/18/03/34/1166180334.db2.gz QOIIWTDBDQFIRF-LLVKDONJSA-N -1 1 262.265 1.152 20 0 CDADMM Cc1ncccc1C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001630782676 1166231850 /nfs/dbraw/zinc/23/18/50/1166231850.db2.gz GYUJREKIIYORBB-CYBMUJFWSA-N -1 1 294.318 1.423 20 0 CDADMM C[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CCO1 ZINC000095161018 1166601214 /nfs/dbraw/zinc/60/12/14/1166601214.db2.gz PAUXZUKORUSMPW-RXMQYKEDSA-N -1 1 286.748 1.202 20 0 CDADMM C[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CCO1 ZINC000095161018 1166601218 /nfs/dbraw/zinc/60/12/18/1166601218.db2.gz PAUXZUKORUSMPW-RXMQYKEDSA-N -1 1 286.748 1.202 20 0 CDADMM c1ccc([C@@H]2C[C@H]2Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC000095168353 1166605050 /nfs/dbraw/zinc/60/50/50/1166605050.db2.gz RLWKRKJKAPGLSL-WDEREUQCSA-N -1 1 279.307 1.625 20 0 CDADMM c1ccc([C@@H]2C[C@H]2Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC000095168353 1166605054 /nfs/dbraw/zinc/60/50/54/1166605054.db2.gz RLWKRKJKAPGLSL-WDEREUQCSA-N -1 1 279.307 1.625 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCc2ccccc2F)n1 ZINC000095331688 1166622710 /nfs/dbraw/zinc/62/27/10/1166622710.db2.gz MIOQNNRHXYZHCE-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCc2ccccc2F)n1 ZINC000095331688 1166622713 /nfs/dbraw/zinc/62/27/13/1166622713.db2.gz MIOQNNRHXYZHCE-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1ccc(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)cc1 ZINC000095340928 1166624648 /nfs/dbraw/zinc/62/46/48/1166624648.db2.gz SJRLQSSMIRRZRV-UHFFFAOYSA-N -1 1 281.319 1.694 20 0 CDADMM CC1SC(C(=O)Nc2ncccc2[O-])=NC1=O ZINC001638380228 1166842554 /nfs/dbraw/zinc/84/25/54/1166842554.db2.gz MSBCQAKJORPYEL-UHFFFAOYSA-N -1 1 251.267 1.510 20 0 CDADMM C[C@@H](Cc1ccccn1)NC(=O)c1ccc([O-])cn1 ZINC001640195583 1167003753 /nfs/dbraw/zinc/00/37/53/1167003753.db2.gz NYSPSRPKHCXLIR-JTQLQIEISA-N -1 1 257.293 1.543 20 0 CDADMM C[C@H](NC(=O)c1[n-][nH]c2cc(=O)ccc1-2)c1cnn(C)c1 ZINC001155269858 1167110754 /nfs/dbraw/zinc/11/07/54/1167110754.db2.gz RPSWIKQPCQKUSW-QMMMGPOBSA-N -1 1 285.307 1.493 20 0 CDADMM CCOC(=O)[C@H](C)CNC(=O)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155273683 1167112540 /nfs/dbraw/zinc/11/25/40/1167112540.db2.gz SUBRNHPCWUXHMT-MRVPVSSYSA-N -1 1 291.307 1.198 20 0 CDADMM O=C(N[C@@H]1CC12CCC2)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155273852 1167114117 /nfs/dbraw/zinc/11/41/17/1167114117.db2.gz ZMAOSUIIAHTFEN-LLVKDONJSA-N -1 1 257.293 1.941 20 0 CDADMM CCCN1CCCC[C@H]1C(=O)[N-]S(=O)(=O)CC1CC1 ZINC001645691803 1167466532 /nfs/dbraw/zinc/46/65/32/1167466532.db2.gz SEKRCPNFKDLCLT-LBPRGKRZSA-N -1 1 288.413 1.107 20 0 CDADMM [O-]c1cccc(CNCc2nnc3n2CCOC3)c1Cl ZINC001645803240 1167514452 /nfs/dbraw/zinc/51/44/52/1167514452.db2.gz RTHMIBLONMZRMD-UHFFFAOYSA-N -1 1 294.742 1.457 20 0 CDADMM Cc1csc([C@H](C)NCCC(=O)NCCC(=O)[O-])n1 ZINC001607928512 1167915239 /nfs/dbraw/zinc/91/52/39/1167915239.db2.gz JWUZXYFEKOCPHW-VIFPVBQESA-N -1 1 285.369 1.083 20 0 CDADMM O=C(NCc1ccc2nonc2c1)c1cncc([O-])c1 ZINC001646813543 1168154249 /nfs/dbraw/zinc/15/42/49/1168154249.db2.gz AGADCVVZHIZXGB-UHFFFAOYSA-N -1 1 270.248 1.253 20 0 CDADMM O=C(OCc1nn[n-]n1)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001646886995 1168226304 /nfs/dbraw/zinc/22/63/04/1168226304.db2.gz YUKVQONFUSABKB-CHWSQXEVSA-N -1 1 286.335 1.902 20 0 CDADMM Cn1cnc(CNC(=O)c2c(F)ccc([O-])c2F)c1 ZINC001647839147 1169064402 /nfs/dbraw/zinc/06/44/02/1169064402.db2.gz BYQAZZGCXRVAGK-UHFFFAOYSA-N -1 1 267.235 1.334 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)Cc1ccc2c[nH]nc2c1 ZINC001569835949 1170012625 /nfs/dbraw/zinc/01/26/25/1170012625.db2.gz JGNVSEBVSDVCPB-UHFFFAOYSA-N -1 1 271.280 1.481 20 0 CDADMM C[C@H](C(=O)OC(C)(C)C)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC001573408152 1170659264 /nfs/dbraw/zinc/65/92/64/1170659264.db2.gz UJQJFQCEAZJREP-CHWFTXMASA-N -1 1 269.341 1.369 20 0 CDADMM CS[C@@H]1CCN(Cc2cnc3c(C(=O)[O-])cnn3c2)C1 ZINC001574097538 1170878473 /nfs/dbraw/zinc/87/84/73/1170878473.db2.gz PGBJETKXZPYXNG-SNVBAGLBSA-N -1 1 292.364 1.365 20 0 CDADMM O=C([O-])[C@@H]1C[C@H]1CN1CCN(c2ncccc2F)CC1 ZINC001574395308 1170968100 /nfs/dbraw/zinc/96/81/00/1170968100.db2.gz AIKNCDLPUAIIAR-WDEREUQCSA-N -1 1 279.315 1.063 20 0 CDADMM O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1Cc1noc2c1COCC2 ZINC001574403495 1170973711 /nfs/dbraw/zinc/97/37/11/1170973711.db2.gz PLOCSEVQXVCBCW-RWEMILLDSA-N -1 1 278.308 1.185 20 0 CDADMM Cc1ccc(Cl)c(O[C@H](C)C(=O)OCc2nn[n-]n2)c1 ZINC001650482527 1171115748 /nfs/dbraw/zinc/11/57/48/1171115748.db2.gz LPTRAKGYJXCTMD-MRVPVSSYSA-N -1 1 296.714 1.672 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1ccc(Cn2ccnc2)cc1 ZINC001654603251 1171625242 /nfs/dbraw/zinc/62/52/42/1171625242.db2.gz GOTDQZHDOGOPPI-UHFFFAOYSA-N -1 1 283.291 1.612 20 0 CDADMM Cc1nc(Oc2ccc3c[nH]nc3c2)cc(-c2nnn[n-]2)n1 ZINC001581530523 1172614616 /nfs/dbraw/zinc/61/46/16/1172614616.db2.gz DLNBOSUTRWLBSV-UHFFFAOYSA-N -1 1 294.278 1.634 20 0 CDADMM Cc1nc(Oc2ccc3c[nH]nc3c2)cc(-c2nn[n-]n2)n1 ZINC001581530523 1172614618 /nfs/dbraw/zinc/61/46/18/1172614618.db2.gz DLNBOSUTRWLBSV-UHFFFAOYSA-N -1 1 294.278 1.634 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1ccccc1F ZINC001582138697 1172654721 /nfs/dbraw/zinc/65/47/21/1172654721.db2.gz JNTYVEAZNPKOHQ-UHFFFAOYSA-N -1 1 298.281 1.582 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1ccccc1F ZINC001582138697 1172654732 /nfs/dbraw/zinc/65/47/32/1172654732.db2.gz JNTYVEAZNPKOHQ-UHFFFAOYSA-N -1 1 298.281 1.582 20 0 CDADMM O=C(NOC/C=C/Cl)c1ccsc1-c1nnn[n-]1 ZINC001582563007 1172681858 /nfs/dbraw/zinc/68/18/58/1172681858.db2.gz VJCJNZYIAZEWGY-HNQUOIGGSA-N -1 1 285.716 1.342 20 0 CDADMM O=C(NOC/C=C/Cl)c1ccsc1-c1nn[n-]n1 ZINC001582563007 1172681860 /nfs/dbraw/zinc/68/18/60/1172681860.db2.gz VJCJNZYIAZEWGY-HNQUOIGGSA-N -1 1 285.716 1.342 20 0 CDADMM c1ccc2c(c1)C[C@@H]1[C@@H](Nc3ccnc(-c4nnn[n-]4)c3)[C@H]21 ZINC001582819772 1172696466 /nfs/dbraw/zinc/69/64/66/1172696466.db2.gz XYTANAUUXGJBKQ-NWANDNLSSA-N -1 1 290.330 1.434 20 0 CDADMM c1ccc2c(c1)C[C@@H]1[C@@H](Nc3ccnc(-c4nn[n-]n4)c3)[C@H]21 ZINC001582819772 1172696470 /nfs/dbraw/zinc/69/64/70/1172696470.db2.gz XYTANAUUXGJBKQ-NWANDNLSSA-N -1 1 290.330 1.434 20 0 CDADMM O=C(Nc1cccnc1-n1cncn1)c1ccc([O-])cn1 ZINC001583218294 1172747853 /nfs/dbraw/zinc/74/78/53/1172747853.db2.gz JAJVBINHHYWXQP-UHFFFAOYSA-N -1 1 282.263 1.015 20 0 CDADMM COc1cc(NC(=O)c2cccc([O-])c2F)[nH]n1 ZINC001584679321 1172842993 /nfs/dbraw/zinc/84/29/93/1172842993.db2.gz AYTAFJCKYSGHDH-UHFFFAOYSA-N -1 1 251.217 1.515 20 0 CDADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1nccn1C ZINC001586061585 1172930658 /nfs/dbraw/zinc/93/06/58/1172930658.db2.gz NIXYASWLNRDAFH-QMMMGPOBSA-N -1 1 263.272 1.756 20 0 CDADMM CCC[C@H](NC(=O)c1cc2cccn2cn1)c1nn[n-]n1 ZINC001587596746 1172992153 /nfs/dbraw/zinc/99/21/53/1172992153.db2.gz BGJFWFUBMITXBK-JTQLQIEISA-N -1 1 285.311 1.119 20 0 CDADMM c1[nH]nc(NCC2=Cc3ccccc3OC2)c1-c1nnn[n-]1 ZINC001588384514 1173055439 /nfs/dbraw/zinc/05/54/39/1173055439.db2.gz STZBABJLHYJHAJ-UHFFFAOYSA-N -1 1 295.306 1.478 20 0 CDADMM c1[nH]nc(NCC2=Cc3ccccc3OC2)c1-c1nn[n-]n1 ZINC001588384514 1173055446 /nfs/dbraw/zinc/05/54/46/1173055446.db2.gz STZBABJLHYJHAJ-UHFFFAOYSA-N -1 1 295.306 1.478 20 0 CDADMM c1cc(NCCC2=CCCCCC2)nc(-c2nn[n-]n2)n1 ZINC001588384458 1173057335 /nfs/dbraw/zinc/05/73/35/1173057335.db2.gz PGDYBUOXFCKHJC-UHFFFAOYSA-N -1 1 285.355 1.771 20 0 CDADMM CC(C)(C)C1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001589104829 1173124529 /nfs/dbraw/zinc/12/45/29/1173124529.db2.gz HNVWTHNCUSOESE-UHFFFAOYSA-N -1 1 286.339 1.380 20 0 CDADMM CC(C)(C)C1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001589104829 1173124533 /nfs/dbraw/zinc/12/45/33/1173124533.db2.gz HNVWTHNCUSOESE-UHFFFAOYSA-N -1 1 286.339 1.380 20 0 CDADMM CC(C)(C)C[C@@H]1C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001589132281 1173125974 /nfs/dbraw/zinc/12/59/74/1173125974.db2.gz AHEWTPQVRCDSIP-DTWKUNHWSA-N -1 1 273.344 1.893 20 0 CDADMM CC(C)(C)C[C@@H]1C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001589132281 1173125979 /nfs/dbraw/zinc/12/59/79/1173125979.db2.gz AHEWTPQVRCDSIP-DTWKUNHWSA-N -1 1 273.344 1.893 20 0 CDADMM CC(C)(C)n1ncnc1CNc1cccnc1-c1nnn[n-]1 ZINC001589264934 1173132258 /nfs/dbraw/zinc/13/22/58/1173132258.db2.gz DJZMVOUKNWRPPG-UHFFFAOYSA-N -1 1 299.342 1.220 20 0 CDADMM CC(C)(C)n1ncnc1CNc1cccnc1-c1nn[n-]n1 ZINC001589264934 1173132262 /nfs/dbraw/zinc/13/22/62/1173132262.db2.gz DJZMVOUKNWRPPG-UHFFFAOYSA-N -1 1 299.342 1.220 20 0 CDADMM CC(C)(O)[C@H]1CCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001589328878 1173136723 /nfs/dbraw/zinc/13/67/23/1173136723.db2.gz XHBRXXHSGWYXTP-LLVKDONJSA-N -1 1 274.328 1.001 20 0 CDADMM CC(C)(O)[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001589328878 1173136733 /nfs/dbraw/zinc/13/67/33/1173136733.db2.gz XHBRXXHSGWYXTP-LLVKDONJSA-N -1 1 274.328 1.001 20 0 CDADMM CC(C)CC[C@@H](C)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589588409 1173160038 /nfs/dbraw/zinc/16/00/38/1173160038.db2.gz RCYVWSDFXNXYPH-SNVBAGLBSA-N -1 1 260.345 1.920 20 0 CDADMM CC(C)CC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589588409 1173160042 /nfs/dbraw/zinc/16/00/42/1173160042.db2.gz RCYVWSDFXNXYPH-SNVBAGLBSA-N -1 1 260.345 1.920 20 0 CDADMM CC(C)N(CCO)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001589692655 1173167256 /nfs/dbraw/zinc/16/72/56/1173167256.db2.gz XMJLKRULDGGZDW-UHFFFAOYSA-N -1 1 288.764 1.184 20 0 CDADMM CC(C)OCCC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589746831 1173170467 /nfs/dbraw/zinc/17/04/67/1173170467.db2.gz JBBJCACRQGRWOV-UHFFFAOYSA-N -1 1 276.300 1.015 20 0 CDADMM CC(C)OCCC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589746831 1173170471 /nfs/dbraw/zinc/17/04/71/1173170471.db2.gz JBBJCACRQGRWOV-UHFFFAOYSA-N -1 1 276.300 1.015 20 0 CDADMM CC(C)OC1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001589741073 1173171012 /nfs/dbraw/zinc/17/10/12/1173171012.db2.gz POSLABCOFLUAKW-UHFFFAOYSA-N -1 1 294.746 1.529 20 0 CDADMM CC(C)OC1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001589741073 1173171015 /nfs/dbraw/zinc/17/10/15/1173171015.db2.gz POSLABCOFLUAKW-UHFFFAOYSA-N -1 1 294.746 1.529 20 0 CDADMM CC(C)c1cccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)n1 ZINC001589769368 1173175929 /nfs/dbraw/zinc/17/59/29/1173175929.db2.gz ICHPDLIUUTVMPL-UHFFFAOYSA-N -1 1 298.310 1.361 20 0 CDADMM C[C@@H](COc1ccccc1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589887556 1173195043 /nfs/dbraw/zinc/19/50/43/1173195043.db2.gz ZIQHREFQDAXNAN-NSHDSACASA-N -1 1 296.334 1.563 20 0 CDADMM C[C@@H](COc1ccccc1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589887556 1173195045 /nfs/dbraw/zinc/19/50/45/1173195045.db2.gz ZIQHREFQDAXNAN-NSHDSACASA-N -1 1 296.334 1.563 20 0 CDADMM C[C@H](O)CCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001589999057 1173231407 /nfs/dbraw/zinc/23/14/07/1173231407.db2.gz OMIDHAXHJZHUIF-VIFPVBQESA-N -1 1 299.338 1.383 20 0 CDADMM C[C@H](O)CCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001589999057 1173231410 /nfs/dbraw/zinc/23/14/10/1173231410.db2.gz OMIDHAXHJZHUIF-VIFPVBQESA-N -1 1 299.338 1.383 20 0 CDADMM CC1(C)C[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC001590083690 1173248550 /nfs/dbraw/zinc/24/85/50/1173248550.db2.gz JHNMDHSMPSAYMV-JTQLQIEISA-N -1 1 274.328 1.053 20 0 CDADMM CC1(C)C[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001590083690 1173248545 /nfs/dbraw/zinc/24/85/45/1173248545.db2.gz JHNMDHSMPSAYMV-JTQLQIEISA-N -1 1 274.328 1.053 20 0 CDADMM CC1(C)C[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)CO1 ZINC001590084639 1173252122 /nfs/dbraw/zinc/25/21/22/1173252122.db2.gz HJZBMABMKZHPSE-SSDOTTSWSA-N -1 1 294.336 1.653 20 0 CDADMM CC1(C)C[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)CO1 ZINC001590084639 1173252127 /nfs/dbraw/zinc/25/21/27/1173252127.db2.gz HJZBMABMKZHPSE-SSDOTTSWSA-N -1 1 294.336 1.653 20 0 CDADMM CC1(C)CC[C@H](CNc2cccc(-c3nnn[n-]3)n2)OC1 ZINC001590090784 1173253684 /nfs/dbraw/zinc/25/36/84/1173253684.db2.gz OVDJDPSIERVAEH-SNVBAGLBSA-N -1 1 288.355 1.879 20 0 CDADMM CC1(C)CC[C@H](CNc2cccc(-c3nn[n-]n3)n2)OC1 ZINC001590090784 1173253689 /nfs/dbraw/zinc/25/36/89/1173253689.db2.gz OVDJDPSIERVAEH-SNVBAGLBSA-N -1 1 288.355 1.879 20 0 CDADMM CC1(C)CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001590096331 1173256443 /nfs/dbraw/zinc/25/64/43/1173256443.db2.gz FYIQXPNLUXYYRD-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CC1(C)CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001590096331 1173256451 /nfs/dbraw/zinc/25/64/51/1173256451.db2.gz FYIQXPNLUXYYRD-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CC1(C)CC[C@@H](O)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590100099 1173256870 /nfs/dbraw/zinc/25/68/70/1173256870.db2.gz PKFWTUFPJCNHQC-NXEZZACHSA-N -1 1 289.343 1.008 20 0 CDADMM CC1(C)CC[C@@H](O)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590100099 1173256874 /nfs/dbraw/zinc/25/68/74/1173256874.db2.gz PKFWTUFPJCNHQC-NXEZZACHSA-N -1 1 289.343 1.008 20 0 CDADMM CC1(C)CCC[C@H]1C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001590094894 1173257911 /nfs/dbraw/zinc/25/79/11/1173257911.db2.gz GWMSVKJEIREEBV-ZETCQYMHSA-N -1 1 275.316 1.355 20 0 CDADMM CC1=CCCN(c2nc(-c3nnn[n-]3)ccc2C)C1 ZINC001590162107 1173279243 /nfs/dbraw/zinc/27/92/43/1173279243.db2.gz YTUFADOZILEGSL-UHFFFAOYSA-N -1 1 256.313 1.727 20 0 CDADMM C[C@H]1C[C@H](C(=O)OCc2ccc(-c3nn[n-]n3)s2)CO1 ZINC001590184096 1173281463 /nfs/dbraw/zinc/28/14/63/1173281463.db2.gz DIKDJXVMMSSXQK-YUMQZZPRSA-N -1 1 294.336 1.396 20 0 CDADMM C[C@@H]1C[C@H](C)CN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590191676 1173287656 /nfs/dbraw/zinc/28/76/56/1173287656.db2.gz RVDCUSMNOWHSPS-DTWKUNHWSA-N -1 1 287.327 1.524 20 0 CDADMM C[C@@H]1C[C@H](C)CN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590191676 1173287662 /nfs/dbraw/zinc/28/76/62/1173287662.db2.gz RVDCUSMNOWHSPS-DTWKUNHWSA-N -1 1 287.327 1.524 20 0 CDADMM C[C@H]1C[C@H](C)N(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001590191678 1173287865 /nfs/dbraw/zinc/28/78/65/1173287865.db2.gz RVDCUSMNOWHSPS-IUCAKERBSA-N -1 1 287.327 1.524 20 0 CDADMM C[C@H]1C[C@H](C)N(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001590191678 1173287868 /nfs/dbraw/zinc/28/78/68/1173287868.db2.gz RVDCUSMNOWHSPS-IUCAKERBSA-N -1 1 287.327 1.524 20 0 CDADMM C[C@H]1C[C@@H]1c1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)n[nH]1 ZINC001590223058 1173305028 /nfs/dbraw/zinc/30/50/28/1173305028.db2.gz ZBOVDMSVQPEZNJ-BQBZGAKWSA-N -1 1 299.294 1.559 20 0 CDADMM C[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1c1ccccc1 ZINC001590315489 1173349862 /nfs/dbraw/zinc/34/98/62/1173349862.db2.gz MSEPJQQVYCSHOV-GWCFXTLKSA-N -1 1 293.334 1.854 20 0 CDADMM C/C=C(\C)C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001590350247 1173368220 /nfs/dbraw/zinc/36/82/20/1173368220.db2.gz PEPPRKLUZBOPAU-XVNBXDOJSA-N -1 1 264.310 1.938 20 0 CDADMM CC[C@H](CSC)N(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590447020 1173411723 /nfs/dbraw/zinc/41/17/23/1173411723.db2.gz JRDZFUCHRZUYCY-SECBINFHSA-N -1 1 295.368 1.673 20 0 CDADMM CC[C@H](CSC)N(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590447020 1173411727 /nfs/dbraw/zinc/41/17/27/1173411727.db2.gz JRDZFUCHRZUYCY-SECBINFHSA-N -1 1 295.368 1.673 20 0 CDADMM CCC(O)(CC)CCNc1ncncc1-c1nn[n-]n1 ZINC001590473683 1173425227 /nfs/dbraw/zinc/42/52/27/1173425227.db2.gz RTBYXHWWFFPVIC-UHFFFAOYSA-N -1 1 277.332 1.010 20 0 CDADMM CC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCOC1 ZINC001590472792 1173425613 /nfs/dbraw/zinc/42/56/13/1173425613.db2.gz HLPGDFZORYCJIP-VHSXEESVSA-N -1 1 289.343 1.274 20 0 CDADMM CC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCOC1 ZINC001590472792 1173425620 /nfs/dbraw/zinc/42/56/20/1173425620.db2.gz HLPGDFZORYCJIP-VHSXEESVSA-N -1 1 289.343 1.274 20 0 CDADMM CC[C@@H]1C[C@H](Nc2ccc(C)nc2-c2nnn[n-]2)CCO1 ZINC001590506008 1173440262 /nfs/dbraw/zinc/44/02/62/1173440262.db2.gz SEKHLMLOUWHWQV-GHMZBOCLSA-N -1 1 288.355 1.940 20 0 CDADMM CC[C@@H]1C[C@H](Nc2ccc(C)nc2-c2nn[n-]n2)CCO1 ZINC001590506008 1173440265 /nfs/dbraw/zinc/44/02/65/1173440265.db2.gz SEKHLMLOUWHWQV-GHMZBOCLSA-N -1 1 288.355 1.940 20 0 CDADMM CC[C@H]1C[C@@H](CNc2n[nH]c(C)c2-c2nnn[n-]2)CCO1 ZINC001590503183 1173441075 /nfs/dbraw/zinc/44/10/75/1173441075.db2.gz ITOSLWQGBGGSKO-UWVGGRQHSA-N -1 1 291.359 1.515 20 0 CDADMM CC[C@H]1C[C@@H](CNc2n[nH]c(C)c2-c2nn[n-]n2)CCO1 ZINC001590503183 1173441083 /nfs/dbraw/zinc/44/10/83/1173441083.db2.gz ITOSLWQGBGGSKO-UWVGGRQHSA-N -1 1 291.359 1.515 20 0 CDADMM CCC1CCN(c2cc(-c3nnn[n-]3)nc(C)n2)CC1 ZINC001590514294 1173445453 /nfs/dbraw/zinc/44/54/53/1173445453.db2.gz HMPCHSITQXFZRP-UHFFFAOYSA-N -1 1 273.344 1.592 20 0 CDADMM CCC1CCN(c2cc(-c3nn[n-]n3)nc(C)n2)CC1 ZINC001590514294 1173445458 /nfs/dbraw/zinc/44/54/58/1173445458.db2.gz HMPCHSITQXFZRP-UHFFFAOYSA-N -1 1 273.344 1.592 20 0 CDADMM CCCC[C@H](NCc1ccc(-c2nnn[n-]2)o1)C(=O)OC ZINC001590581735 1173468270 /nfs/dbraw/zinc/46/82/70/1173468270.db2.gz HNXWEUPBJXFWPQ-JTQLQIEISA-N -1 1 293.327 1.281 20 0 CDADMM CCC[C@@H]1C[C@H]1Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001590653497 1173484228 /nfs/dbraw/zinc/48/42/28/1173484228.db2.gz GBWMYNYXTPTGJH-RKDXNWHRSA-N -1 1 259.317 1.566 20 0 CDADMM CCC[C@@H]1C[C@H]1Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001590653497 1173484234 /nfs/dbraw/zinc/48/42/34/1173484234.db2.gz GBWMYNYXTPTGJH-RKDXNWHRSA-N -1 1 259.317 1.566 20 0 CDADMM CCN(c1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H](C)CO ZINC001590725008 1173503178 /nfs/dbraw/zinc/50/31/78/1173503178.db2.gz VMEUYUQCURHGRM-SSDOTTSWSA-N -1 1 282.735 1.122 20 0 CDADMM CCO[C@H](CCNc1cc(-c2nnn[n-]2)ncn1)C(C)C ZINC001590784112 1173510822 /nfs/dbraw/zinc/51/08/22/1173510822.db2.gz NEIGFPMWXFQSTE-LLVKDONJSA-N -1 1 291.359 1.520 20 0 CDADMM CCO[C@H](CCNc1cc(-c2nn[n-]n2)ncn1)C(C)C ZINC001590784112 1173510828 /nfs/dbraw/zinc/51/08/28/1173510828.db2.gz NEIGFPMWXFQSTE-LLVKDONJSA-N -1 1 291.359 1.520 20 0 CDADMM CCOc1ccc(Oc2ncncc2-c2nnn[n-]2)cc1 ZINC001590839407 1173526476 /nfs/dbraw/zinc/52/64/76/1173526476.db2.gz UDDCBTRPKSXYFO-UHFFFAOYSA-N -1 1 284.279 1.848 20 0 CDADMM CCOc1ccc(Oc2ncncc2-c2nn[n-]n2)cc1 ZINC001590839407 1173526485 /nfs/dbraw/zinc/52/64/85/1173526485.db2.gz UDDCBTRPKSXYFO-UHFFFAOYSA-N -1 1 284.279 1.848 20 0 CDADMM CCc1ccccc1CNc1ncncc1-c1nn[n-]n1 ZINC001590897894 1173536839 /nfs/dbraw/zinc/53/68/39/1173536839.db2.gz WGWCGSQCHNMNFI-UHFFFAOYSA-N -1 1 281.323 1.831 20 0 CDADMM COC[C@H](C)[C@H](C)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001591372765 1173634264 /nfs/dbraw/zinc/63/42/64/1173634264.db2.gz ONJMQHNANPWSJW-BQBZGAKWSA-N -1 1 296.356 1.180 20 0 CDADMM COC[C@H](C)[C@H](C)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001591372765 1173634269 /nfs/dbraw/zinc/63/42/69/1173634269.db2.gz ONJMQHNANPWSJW-BQBZGAKWSA-N -1 1 296.356 1.180 20 0 CDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CC12CC2 ZINC001591732977 1173693206 /nfs/dbraw/zinc/69/32/06/1173693206.db2.gz QWKXQFNWQJBMCR-PSASIEDQSA-N -1 1 285.307 1.607 20 0 CDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CC12CC2 ZINC001591732977 1173693210 /nfs/dbraw/zinc/69/32/10/1173693210.db2.gz QWKXQFNWQJBMCR-PSASIEDQSA-N -1 1 285.307 1.607 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccc(-c2nn[nH]n2)s1 ZINC001591735315 1173693782 /nfs/dbraw/zinc/69/37/82/1173693782.db2.gz NWYBTIPULHAGBW-VXNVDRBHSA-N -1 1 293.352 1.366 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC001591735315 1173693785 /nfs/dbraw/zinc/69/37/85/1173693785.db2.gz NWYBTIPULHAGBW-VXNVDRBHSA-N -1 1 293.352 1.366 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC001591735315 1173693789 /nfs/dbraw/zinc/69/37/89/1173693789.db2.gz NWYBTIPULHAGBW-VXNVDRBHSA-N -1 1 293.352 1.366 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C)[C@H]3CCCC[C@H]32)n1 ZINC001591883901 1173734503 /nfs/dbraw/zinc/73/45/03/1173734503.db2.gz LDXLTHVIZMBJRY-UFGOTCBOSA-N -1 1 299.382 1.980 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](C)[C@H]3CCCC[C@H]32)n1 ZINC001591883901 1173734510 /nfs/dbraw/zinc/73/45/10/1173734510.db2.gz LDXLTHVIZMBJRY-UFGOTCBOSA-N -1 1 299.382 1.980 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC3(CCC3)CC2)n1 ZINC001591886845 1173740201 /nfs/dbraw/zinc/74/02/01/1173740201.db2.gz JJHQUNGMMQLVNQ-UHFFFAOYSA-N -1 1 285.355 1.736 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC3(CCC3)CC2)n1 ZINC001591886845 1173740203 /nfs/dbraw/zinc/74/02/03/1173740203.db2.gz JJHQUNGMMQLVNQ-UHFFFAOYSA-N -1 1 285.355 1.736 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)c2cc[nH]c(=O)c2)n1 ZINC001591891267 1173742351 /nfs/dbraw/zinc/74/23/51/1173742351.db2.gz RHLLMRGJRHZPRO-QMMMGPOBSA-N -1 1 298.310 1.239 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)c2cc[nH]c(=O)c2)n1 ZINC001591891267 1173742354 /nfs/dbraw/zinc/74/23/54/1173742354.db2.gz RHLLMRGJRHZPRO-QMMMGPOBSA-N -1 1 298.310 1.239 20 0 CDADMM Cc1cc(NC2CCOCC2)nc(-c2nnn[n-]2)c1 ZINC001592041119 1173781442 /nfs/dbraw/zinc/78/14/42/1173781442.db2.gz YPBXWHVTJSLOEK-UHFFFAOYSA-N -1 1 260.301 1.161 20 0 CDADMM Cc1cc(NC2CCOCC2)nc(-c2nn[n-]n2)c1 ZINC001592041119 1173781447 /nfs/dbraw/zinc/78/14/47/1173781447.db2.gz YPBXWHVTJSLOEK-UHFFFAOYSA-N -1 1 260.301 1.161 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H]1CCC[C@@H](O)C1 ZINC001592114683 1173806774 /nfs/dbraw/zinc/80/67/74/1173806774.db2.gz SYCQWCWXUQWWQM-WDEREUQCSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(N2CCC[C@](C)(F)C2)nc1-c1nnn[n-]1 ZINC001592178226 1173826176 /nfs/dbraw/zinc/82/61/76/1173826176.db2.gz UYVJQEXYUOBTLS-ZDUSSCGKSA-N -1 1 276.319 1.899 20 0 CDADMM Cc1ccc(N2CCC[C@](C)(F)C2)nc1-c1nn[n-]n1 ZINC001592178226 1173826182 /nfs/dbraw/zinc/82/61/82/1173826182.db2.gz UYVJQEXYUOBTLS-ZDUSSCGKSA-N -1 1 276.319 1.899 20 0 CDADMM Cc1ccc(N[C@H]2C[C@@H](O)C2(C)C)c(-c2nnn[n-]2)n1 ZINC001592184005 1173829021 /nfs/dbraw/zinc/82/90/21/1173829021.db2.gz OBCLPDSNWMGGMY-VHSXEESVSA-N -1 1 274.328 1.141 20 0 CDADMM Cc1ccc(N[C@H]2C[C@@H](O)C2(C)C)c(-c2nn[n-]n2)n1 ZINC001592184005 1173829024 /nfs/dbraw/zinc/82/90/24/1173829024.db2.gz OBCLPDSNWMGGMY-VHSXEESVSA-N -1 1 274.328 1.141 20 0 CDADMM Cc1cnc(CNC(=O)c2ccsc2-c2nnn[n-]2)o1 ZINC001592293414 1173849404 /nfs/dbraw/zinc/84/94/04/1173849404.db2.gz SSEGFMINRQYZMY-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1cnc(CNC(=O)c2ccsc2-c2nn[n-]n2)o1 ZINC001592293414 1173849409 /nfs/dbraw/zinc/84/94/09/1173849409.db2.gz SSEGFMINRQYZMY-UHFFFAOYSA-N -1 1 290.308 1.155 20 0 CDADMM Cc1cncc(CNc2cc(C)nc(-c3nnn[n-]3)c2)c1 ZINC001592300193 1173851862 /nfs/dbraw/zinc/85/18/62/1173851862.db2.gz PMFPTBHBWZHLMG-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1cncc(CNc2cc(C)nc(-c3nn[n-]n3)c2)c1 ZINC001592300193 1173851866 /nfs/dbraw/zinc/85/18/66/1173851866.db2.gz PMFPTBHBWZHLMG-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N(C)CCC(F)(F)F)n1 ZINC001592338420 1173859781 /nfs/dbraw/zinc/85/97/81/1173859781.db2.gz BHYMXFYKLWMDOH-UHFFFAOYSA-N -1 1 287.249 1.354 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N(C)CCC(F)(F)F)n1 ZINC001592338420 1173859785 /nfs/dbraw/zinc/85/97/85/1173859785.db2.gz BHYMXFYKLWMDOH-UHFFFAOYSA-N -1 1 287.249 1.354 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](CF)C2)n1 ZINC001592340978 1173861983 /nfs/dbraw/zinc/86/19/83/1173861983.db2.gz LAMDUFWXKVKOMX-VIFPVBQESA-N -1 1 277.307 1.151 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](CF)C2)n1 ZINC001592340978 1173861987 /nfs/dbraw/zinc/86/19/87/1173861987.db2.gz LAMDUFWXKVKOMX-VIFPVBQESA-N -1 1 277.307 1.151 20 0 CDADMM Cc1nc(NC[C@@H]2CCO[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001592387825 1173878795 /nfs/dbraw/zinc/87/87/95/1173878795.db2.gz QFTBAMAINBODNO-PSASIEDQSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1nc(NC[C@@H]2CCO[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001592387825 1173878801 /nfs/dbraw/zinc/87/88/01/1173878801.db2.gz QFTBAMAINBODNO-PSASIEDQSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1nnc([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)o2)o1 ZINC001592441458 1173892527 /nfs/dbraw/zinc/89/25/27/1173892527.db2.gz URXQKWDVQZHTPR-YFKPBYRVSA-N -1 1 290.239 1.069 20 0 CDADMM Cc1nocc1CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001592465866 1173896256 /nfs/dbraw/zinc/89/62/56/1173896256.db2.gz DOGYFJLWARPQMW-UHFFFAOYSA-N -1 1 298.310 1.443 20 0 CDADMM Cc1nocc1CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001592465866 1173896260 /nfs/dbraw/zinc/89/62/60/1173896260.db2.gz DOGYFJLWARPQMW-UHFFFAOYSA-N -1 1 298.310 1.443 20 0 CDADMM Cc1nsc(N[C@H]2CS[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001592486123 1173902161 /nfs/dbraw/zinc/90/21/61/1173902161.db2.gz DGMZMOORGITNBJ-CAHLUQPWSA-N -1 1 282.398 1.938 20 0 CDADMM Clc1nsc(N2CC[C@H]3C[C@H]3C2)c1-c1nnn[n-]1 ZINC001592537509 1173915116 /nfs/dbraw/zinc/91/51/16/1173915116.db2.gz HQJLZCYRPMQDFV-WDSKDSINSA-N -1 1 282.760 1.823 20 0 CDADMM Clc1ccccc1CNc1ncncc1-c1nn[n-]n1 ZINC001592535969 1173916608 /nfs/dbraw/zinc/91/66/08/1173916608.db2.gz HYTJJRJDGHMEHU-UHFFFAOYSA-N -1 1 287.714 1.922 20 0 CDADMM Cn1ncc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1Cl ZINC001592601278 1173926837 /nfs/dbraw/zinc/92/68/37/1173926837.db2.gz WSCXOJNGVMYCBJ-UHFFFAOYSA-N -1 1 293.674 1.099 20 0 CDADMM FCC(CF)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001592631628 1173941131 /nfs/dbraw/zinc/94/11/31/1173941131.db2.gz GCSBDGSMCMGSOR-UHFFFAOYSA-N -1 1 274.662 1.635 20 0 CDADMM FCC(CF)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001592631628 1173941137 /nfs/dbraw/zinc/94/11/37/1173941137.db2.gz GCSBDGSMCMGSOR-UHFFFAOYSA-N -1 1 274.662 1.635 20 0 CDADMM Fc1ccccc1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001592658988 1173958607 /nfs/dbraw/zinc/95/86/07/1173958607.db2.gz LDFYZUJLXSQGOQ-UHFFFAOYSA-N -1 1 270.271 1.435 20 0 CDADMM Fc1ccccc1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001592658988 1173958611 /nfs/dbraw/zinc/95/86/11/1173958611.db2.gz LDFYZUJLXSQGOQ-UHFFFAOYSA-N -1 1 270.271 1.435 20 0 CDADMM O=C([C@H]1CC12CC2)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001592775894 1173988385 /nfs/dbraw/zinc/98/83/85/1173988385.db2.gz PYPFHHYHICQNQJ-SECBINFHSA-N -1 1 296.334 1.341 20 0 CDADMM O=C([C@H]1CC12CC2)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001592775894 1173988389 /nfs/dbraw/zinc/98/83/89/1173988389.db2.gz PYPFHHYHICQNQJ-SECBINFHSA-N -1 1 296.334 1.341 20 0 CDADMM O=C(C=Cc1ccco1)OCc1cccnc1-c1nnn[n-]1 ZINC001592802206 1173991489 /nfs/dbraw/zinc/99/14/89/1173991489.db2.gz PQJHIPYAFNWOFT-AATRIKPKSA-N -1 1 297.274 1.611 20 0 CDADMM O=C(C=Cc1ccco1)OCc1cccnc1-c1nn[n-]n1 ZINC001592802206 1173991493 /nfs/dbraw/zinc/99/14/93/1173991493.db2.gz PQJHIPYAFNWOFT-AATRIKPKSA-N -1 1 297.274 1.611 20 0 CDADMM O=C(CCc1ccco1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592855244 1173997245 /nfs/dbraw/zinc/99/72/45/1173997245.db2.gz AVISDENOMNMPRX-UHFFFAOYSA-N -1 1 298.306 1.104 20 0 CDADMM O=C(CCc1ccco1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592855244 1173997252 /nfs/dbraw/zinc/99/72/52/1173997252.db2.gz AVISDENOMNMPRX-UHFFFAOYSA-N -1 1 298.306 1.104 20 0 CDADMM O=C(NCCC1=CCCC1)c1coc(-c2nnn[n-]2)c1 ZINC001593059577 1174017583 /nfs/dbraw/zinc/01/75/83/1174017583.db2.gz MWVPACBIYQRIHG-UHFFFAOYSA-N -1 1 273.296 1.690 20 0 CDADMM O=C(NCCC1=CCCC1)c1coc(-c2nn[n-]n2)c1 ZINC001593059577 1174017590 /nfs/dbraw/zinc/01/75/90/1174017590.db2.gz MWVPACBIYQRIHG-UHFFFAOYSA-N -1 1 273.296 1.690 20 0 CDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)OC1CCC1 ZINC001593146058 1174027366 /nfs/dbraw/zinc/02/73/66/1174027366.db2.gz HKMVKMNHWRPWQN-UHFFFAOYSA-N -1 1 274.284 1.040 20 0 CDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)OC1CCC1 ZINC001593146058 1174027372 /nfs/dbraw/zinc/02/73/72/1174027372.db2.gz HKMVKMNHWRPWQN-UHFFFAOYSA-N -1 1 274.284 1.040 20 0 CDADMM O=C(NOC1CCCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593166691 1174029436 /nfs/dbraw/zinc/02/94/36/1174029436.db2.gz NASHTPNMSCFZHT-UHFFFAOYSA-N -1 1 291.286 1.610 20 0 CDADMM O=C(NOC1CCCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593166691 1174029440 /nfs/dbraw/zinc/02/94/40/1174029440.db2.gz NASHTPNMSCFZHT-UHFFFAOYSA-N -1 1 291.286 1.610 20 0 CDADMM O=C(Nc1ccc(O)cc1)c1coc(-c2nnn[n-]2)c1 ZINC001593235464 1174037273 /nfs/dbraw/zinc/03/72/73/1174037273.db2.gz WWOOZMQHPNQUSV-UHFFFAOYSA-N -1 1 271.236 1.418 20 0 CDADMM O=C(Nc1ccc(O)cc1)c1coc(-c2nn[n-]n2)c1 ZINC001593235464 1174037277 /nfs/dbraw/zinc/03/72/77/1174037277.db2.gz WWOOZMQHPNQUSV-UHFFFAOYSA-N -1 1 271.236 1.418 20 0 CDADMM O=C(Nc1ccccc1O)c1ccsc1-c1nnn[n-]1 ZINC001593253410 1174040147 /nfs/dbraw/zinc/04/01/47/1174040147.db2.gz MSPSIUQDIIKNDE-UHFFFAOYSA-N -1 1 287.304 1.886 20 0 CDADMM O=C(Nc1ccccc1O)c1ccsc1-c1nn[n-]n1 ZINC001593253410 1174040150 /nfs/dbraw/zinc/04/01/50/1174040150.db2.gz MSPSIUQDIIKNDE-UHFFFAOYSA-N -1 1 287.304 1.886 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCCC2(CC2)C1 ZINC001593256391 1174041647 /nfs/dbraw/zinc/04/16/47/1174041647.db2.gz RPLAREXIBZMJOD-UHFFFAOYSA-N -1 1 299.338 1.670 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCCC2(CC2)C1 ZINC001593256391 1174041655 /nfs/dbraw/zinc/04/16/55/1174041655.db2.gz RPLAREXIBZMJOD-UHFFFAOYSA-N -1 1 299.338 1.670 20 0 CDADMM O=C(OC1(C2CC2)CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593281611 1174048759 /nfs/dbraw/zinc/04/87/59/1174048759.db2.gz KPTGHXZOJLXFIU-UHFFFAOYSA-N -1 1 271.280 1.361 20 0 CDADMM O=C(OC1(C2CC2)CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593281611 1174048762 /nfs/dbraw/zinc/04/87/62/1174048762.db2.gz KPTGHXZOJLXFIU-UHFFFAOYSA-N -1 1 271.280 1.361 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC2(CC2(F)F)C1 ZINC001593338507 1174065704 /nfs/dbraw/zinc/06/57/04/1174065704.db2.gz AGLSCOURTIKMFP-UHFFFAOYSA-N -1 1 297.290 1.409 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC2(CC2(F)F)C1 ZINC001593338507 1174065709 /nfs/dbraw/zinc/06/57/09/1174065709.db2.gz AGLSCOURTIKMFP-UHFFFAOYSA-N -1 1 297.290 1.409 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCCCO1 ZINC001593337981 1174066153 /nfs/dbraw/zinc/06/61/53/1174066153.db2.gz CPQQTHCFLXUNLE-UHFFFAOYSA-N -1 1 279.325 1.486 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCCCO1 ZINC001593337981 1174066159 /nfs/dbraw/zinc/06/61/59/1174066159.db2.gz CPQQTHCFLXUNLE-UHFFFAOYSA-N -1 1 279.325 1.486 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@H]1c1ccc[nH]1 ZINC001593368222 1174069973 /nfs/dbraw/zinc/06/99/73/1174069973.db2.gz WUISXIKBGQFMEO-NSHDSACASA-N -1 1 298.306 1.765 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@H]1c1ccc[nH]1 ZINC001593368222 1174069978 /nfs/dbraw/zinc/06/99/78/1174069978.db2.gz WUISXIKBGQFMEO-NSHDSACASA-N -1 1 298.306 1.765 20 0 CDADMM O=C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC001593394419 1174076222 /nfs/dbraw/zinc/07/62/22/1174076222.db2.gz PMJSFCKUDFMFEL-UHFFFAOYSA-N -1 1 278.703 1.084 20 0 CDADMM O=C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC001593394419 1174076228 /nfs/dbraw/zinc/07/62/28/1174076228.db2.gz PMJSFCKUDFMFEL-UHFFFAOYSA-N -1 1 278.703 1.084 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ncn1CC1CCCCCC1 ZINC001593494684 1174087643 /nfs/dbraw/zinc/08/76/43/1174087643.db2.gz UDKBXPFOOUZMAM-UHFFFAOYSA-N -1 1 274.328 1.394 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1C[C@H]1CCC(F)(F)C1 ZINC001593496674 1174088385 /nfs/dbraw/zinc/08/83/85/1174088385.db2.gz QLZRLNCEDMWCDH-QMMMGPOBSA-N -1 1 281.266 1.464 20 0 CDADMM O[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CCCCC1 ZINC001593506192 1174093031 /nfs/dbraw/zinc/09/30/31/1174093031.db2.gz GXBKZJMOGFWGLR-NSHDSACASA-N -1 1 289.343 1.010 20 0 CDADMM O[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC001593506192 1174093037 /nfs/dbraw/zinc/09/30/37/1174093037.db2.gz GXBKZJMOGFWGLR-NSHDSACASA-N -1 1 289.343 1.010 20 0 CDADMM Oc1ccc2c(c1)[C@@H](Nc1ncncc1-c1nn[n-]n1)CC2 ZINC001593540448 1174111709 /nfs/dbraw/zinc/11/17/09/1174111709.db2.gz VYVBPAOHEBROES-LBPRGKRZSA-N -1 1 295.306 1.462 20 0 CDADMM c1c(-c2nn[n-]n2)nnn1C[C@H]1CC2(CO1)CCCCC2 ZINC001593543099 1174111982 /nfs/dbraw/zinc/11/19/82/1174111982.db2.gz BKGNPLHLRQXQES-SNVBAGLBSA-N -1 1 289.343 1.198 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1N[C@@]12C[C@@H]1CCCC2 ZINC001593551464 1174124276 /nfs/dbraw/zinc/12/42/76/1174124276.db2.gz LHVSBDVYEPRRFQ-UFBFGSQYSA-N -1 1 257.301 1.401 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1N[C@@]12C[C@@H]1CCCC2 ZINC001593551464 1174124279 /nfs/dbraw/zinc/12/42/79/1174124279.db2.gz LHVSBDVYEPRRFQ-UFBFGSQYSA-N -1 1 257.301 1.401 20 0 CDADMM c1cc(N2CCC23CCCC3)cc(-c2nnn[n-]2)n1 ZINC001593558561 1174133324 /nfs/dbraw/zinc/13/33/24/1174133324.db2.gz FPARRKPOPLFDPN-UHFFFAOYSA-N -1 1 256.313 1.785 20 0 CDADMM c1sc(CN2CCc3ccccc3C2)nc1-c1nnn[n-]1 ZINC001593579781 1174145652 /nfs/dbraw/zinc/14/56/52/1174145652.db2.gz BXZNJGOVOKXBMA-UHFFFAOYSA-N -1 1 298.375 1.882 20 0 CDADMM c1sc(CN2CCc3ccccc3C2)nc1-c1nn[n-]n1 ZINC001593579781 1174145653 /nfs/dbraw/zinc/14/56/53/1174145653.db2.gz BXZNJGOVOKXBMA-UHFFFAOYSA-N -1 1 298.375 1.882 20 0 CDADMM c1csc(CC2CN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001593588882 1174154855 /nfs/dbraw/zinc/15/48/55/1174154855.db2.gz GZWSWKFITKGXRM-UHFFFAOYSA-N -1 1 299.363 1.397 20 0 CDADMM c1csc(CC2CN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001593588882 1174154860 /nfs/dbraw/zinc/15/48/60/1174154860.db2.gz GZWSWKFITKGXRM-UHFFFAOYSA-N -1 1 299.363 1.397 20 0 CDADMM c1c(-c2nn[n-]n2)nnn1Cc1cccc2cccnc21 ZINC001593588310 1174155451 /nfs/dbraw/zinc/15/54/51/1174155451.db2.gz UNDGNKZCVMGODI-UHFFFAOYSA-N -1 1 278.279 1.055 20 0 CDADMM c1[nH]nc2ccc(Sc3ncncc3-c3nn[n-]n3)cc12 ZINC001593594676 1174163102 /nfs/dbraw/zinc/16/31/02/1174163102.db2.gz FXAQFUAUDYWFCN-UHFFFAOYSA-N -1 1 296.319 1.684 20 0 CDADMM Cc1cc(C)cc(OCCN2CCC[C@@H](O)[C@@H]2C(=O)[O-])c1 ZINC001600174999 1174387156 /nfs/dbraw/zinc/38/71/56/1174387156.db2.gz DXWRXHWFPQTOBY-HUUCEWRRSA-N -1 1 293.363 1.592 20 0 CDADMM Cc1cc(CCC(=O)NCC2(C(=O)[O-])CCCC2)n[nH]1 ZINC001600189116 1174393672 /nfs/dbraw/zinc/39/36/72/1174393672.db2.gz ZGHWUYYRQNGCEE-UHFFFAOYSA-N -1 1 279.340 1.412 20 0 CDADMM Cc1oc(C(=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001600825687 1174631654 /nfs/dbraw/zinc/63/16/54/1174631654.db2.gz ORDWMDDZOGFLDM-LLVKDONJSA-N -1 1 294.351 1.889 20 0 CDADMM Cn1c(CN2CCC(C)(O)CC2)ccc1C(=O)[O-] ZINC001600914164 1174662761 /nfs/dbraw/zinc/66/27/61/1174662761.db2.gz ZQDFZMIDLJPDBZ-UHFFFAOYSA-N -1 1 252.314 1.070 20 0 CDADMM COc1cc(CNc2ccnc(-c3nnn[n-]3)c2)ccn1 ZINC000103626805 1174683247 /nfs/dbraw/zinc/68/32/47/1174683247.db2.gz IVKXZQGRBSHISC-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM COc1cc(CNc2ccnc(-c3nn[n-]n3)c2)ccn1 ZINC000103626805 1174683255 /nfs/dbraw/zinc/68/32/55/1174683255.db2.gz IVKXZQGRBSHISC-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM c1csc(CNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000103664472 1174684621 /nfs/dbraw/zinc/68/46/21/1174684621.db2.gz BARAYWOTPMWHHG-UHFFFAOYSA-N 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DSWHVTLGSNPWOQ-UHFFFAOYSA-N -1 1 293.294 1.741 20 0 CDADMM O=C([O-])CC1(CN2CCC[C@@]23CCOC3=O)CC1 ZINC001601915068 1175063964 /nfs/dbraw/zinc/06/39/64/1175063964.db2.gz DCJYJDUFGMCKNC-ZDUSSCGKSA-N -1 1 253.298 1.023 20 0 CDADMM O=C([O-])CC1(NC(=O)c2ccn(-c3ccncc3)n2)CC1 ZINC001601931627 1175071059 /nfs/dbraw/zinc/07/10/59/1175071059.db2.gz FLDPMIBCBRLHBZ-UHFFFAOYSA-N -1 1 286.291 1.004 20 0 CDADMM O=C([O-])Cc1cccc(C(=O)N2CC[C@@H](N3CCC3)C2)c1 ZINC001602132867 1175137955 /nfs/dbraw/zinc/13/79/55/1175137955.db2.gz NLQGWWTUHDKEEF-CQSZACIVSA-N -1 1 288.347 1.234 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1cc2c(cccc2O)s1 ZINC001602192291 1175157454 /nfs/dbraw/zinc/15/74/54/1175157454.db2.gz TURFZBZCBHYCCI-KCJUWKMLSA-N -1 1 293.344 1.627 20 0 CDADMM O=C([O-])c1cccc(OCc2noc([C@H]3CCN3)n2)c1 ZINC001602452038 1175245325 /nfs/dbraw/zinc/24/53/25/1175245325.db2.gz FECSCRQDBOZPHW-SNVBAGLBSA-N -1 1 275.264 1.381 20 0 CDADMM CC(C(=O)NCc1nc(-c2nnn[n-]2)cs1)=C1CCC1 ZINC001603019712 1175478600 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1175486599 /nfs/dbraw/zinc/48/65/99/1175486599.db2.gz QXAIDBHSKOQUKU-UHFFFAOYSA-N -1 1 280.357 1.376 20 0 CDADMM CC(C)(C)C[C@@H]1C[C@H]1Nc1ncncc1-c1nn[n-]n1 ZINC001603077306 1175488122 /nfs/dbraw/zinc/48/81/22/1175488122.db2.gz KPJZKVNMXICZIQ-WCBMZHEXSA-N -1 1 273.344 1.893 20 0 CDADMM CC(C)[C@@H](F)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001603225503 1175520436 /nfs/dbraw/zinc/52/04/36/1175520436.db2.gz RKISJVODAOKOGZ-SNVBAGLBSA-N -1 1 279.275 1.299 20 0 CDADMM CC(C)[C@@H](F)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001603225503 1175520445 /nfs/dbraw/zinc/52/04/45/1175520445.db2.gz RKISJVODAOKOGZ-SNVBAGLBSA-N -1 1 279.275 1.299 20 0 CDADMM CC(C)[C@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001603246412 1175525607 /nfs/dbraw/zinc/52/56/07/1175525607.db2.gz REAAAUSLSQJPQK-NSHDSACASA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)[C@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001603246412 1175525613 /nfs/dbraw/zinc/52/56/13/1175525613.db2.gz REAAAUSLSQJPQK-NSHDSACASA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)C[C@H](C)C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001603260436 1175527803 /nfs/dbraw/zinc/52/78/03/1175527803.db2.gz ZBJFVWRAIXKSDA-JTQLQIEISA-N -1 1 288.355 1.907 20 0 CDADMM CC(C)C[C@H](C)C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001603260436 1175527807 /nfs/dbraw/zinc/52/78/07/1175527807.db2.gz ZBJFVWRAIXKSDA-JTQLQIEISA-N -1 1 288.355 1.907 20 0 CDADMM CC(C)(C)n1nnnc1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001603574131 1175568650 /nfs/dbraw/zinc/56/86/50/1175568650.db2.gz GDVYQQGKAKCTPL-JTQLQIEISA-N -1 1 293.371 1.115 20 0 CDADMM C[C@@H](NCc1cccc(-c2nnn[n-]2)n1)C(F)F ZINC001603668184 1175591862 /nfs/dbraw/zinc/59/18/62/1175591862.db2.gz RCJRRTCYBDPDLD-ZCFIWIBFSA-N -1 1 254.244 1.005 20 0 CDADMM C[C@@H](NCc1cccc(-c2nn[n-]n2)n1)C(F)F ZINC001603668184 1175591872 /nfs/dbraw/zinc/59/18/72/1175591872.db2.gz RCJRRTCYBDPDLD-ZCFIWIBFSA-N -1 1 254.244 1.005 20 0 CDADMM C[C@H](c1ccncc1)N(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603737700 1175611376 /nfs/dbraw/zinc/61/13/76/1175611376.db2.gz 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CS(=O)(=O)c1ccc(-c2cccc([O-])c2Cl)nn1 ZINC001242797804 946885035 /nfs/dbraw/zinc/88/50/35/946885035.db2.gz MWMQSUKUTLZIJS-UHFFFAOYSA-N -1 1 284.724 1.906 20 0 CDADMM NS(=O)(=O)Cc1ccc(-c2cccc([O-])c2Cl)nc1 ZINC001242801503 946885250 /nfs/dbraw/zinc/88/52/50/946885250.db2.gz SDYWZMVJIISRAT-UHFFFAOYSA-N -1 1 298.751 1.896 20 0 CDADMM CC1N=NC(C(=O)Nc2ccccc2C[S@@](C)=O)=C1[O-] ZINC001362460105 971295933 /nfs/dbraw/zinc/29/59/33/971295933.db2.gz LWRPONDVSGPBIL-HXUWFJFHSA-N -1 1 293.348 1.555 20 0 CDADMM CC(=O)c1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001573556221 946924196 /nfs/dbraw/zinc/92/41/96/946924196.db2.gz MHPGHNPCNJNFQJ-UHFFFAOYSA-N -1 1 297.274 1.915 20 0 CDADMM CC(=O)c1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001573556221 946924202 /nfs/dbraw/zinc/92/42/02/946924202.db2.gz MHPGHNPCNJNFQJ-UHFFFAOYSA-N -1 1 297.274 1.915 20 0 CDADMM Clc1cnccc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001243385416 947095854 /nfs/dbraw/zinc/09/58/54/947095854.db2.gz RCKOGLFPPWSRIZ-UHFFFAOYSA-N -1 1 258.672 1.977 20 0 CDADMM Clc1cnccc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001243385416 947095869 /nfs/dbraw/zinc/09/58/69/947095869.db2.gz RCKOGLFPPWSRIZ-UHFFFAOYSA-N -1 1 258.672 1.977 20 0 CDADMM CCC(CC)(NC(=O)[C@@H]1CCO[C@@H](C)C1)c1nn[n-]n1 ZINC001362494093 971336703 /nfs/dbraw/zinc/33/67/03/971336703.db2.gz GJPHEOCQSNSKLT-VHSXEESVSA-N -1 1 281.360 1.146 20 0 CDADMM Cc1cc(F)ncc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001243760305 947200981 /nfs/dbraw/zinc/20/09/81/947200981.db2.gz PGPFKTKXTKRGHT-UHFFFAOYSA-N -1 1 256.244 1.771 20 0 CDADMM Cc1cc(F)ncc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001243760305 947200990 /nfs/dbraw/zinc/20/09/90/947200990.db2.gz PGPFKTKXTKRGHT-UHFFFAOYSA-N -1 1 256.244 1.771 20 0 CDADMM Cc1cc2c(c(-c3cnc4nccnc4c3)n1)C(=O)[N-]C2=O ZINC001244040965 947294011 /nfs/dbraw/zinc/29/40/11/947294011.db2.gz XYYLAMQKEDAXKF-UHFFFAOYSA-N -1 1 291.270 1.279 20 0 CDADMM COc1cc(C(=O)[O-])cc(-c2nc(F)nc3nc[nH]c32)c1 ZINC001244176244 947338649 /nfs/dbraw/zinc/33/86/49/947338649.db2.gz SZRPIZRRARXWCR-UHFFFAOYSA-N -1 1 288.238 1.817 20 0 CDADMM Cc1cc2c(c(-c3ccc(O)c(CO)c3)n1)C(=O)[N-]C2=O ZINC001244775737 947468479 /nfs/dbraw/zinc/46/84/79/947468479.db2.gz PKAIPLWRECISBX-UHFFFAOYSA-N -1 1 284.271 1.139 20 0 CDADMM C/C(=C\c1ccncc1)c1nc([C@@H](N)CC(=O)[O-])no1 ZINC001602737103 971428825 /nfs/dbraw/zinc/42/88/25/971428825.db2.gz HVBUHWMFJJAXJT-PCGIRMHASA-N -1 1 274.280 1.500 20 0 CDADMM O=C(c1cc(C2CC2)n[nH]1)n1[n-]c(-c2cnccn2)cc1=O ZINC001245931735 947853270 /nfs/dbraw/zinc/85/32/70/947853270.db2.gz HEQLVIVJEMLJFM-UHFFFAOYSA-N -1 1 296.290 1.335 20 0 CDADMM O=S(=O)([N-][C@H](CO)C(F)(F)F)c1cccc(F)c1 ZINC001255683659 948074158 /nfs/dbraw/zinc/07/41/58/948074158.db2.gz OIEFUDYLKGNLCI-MRVPVSSYSA-N -1 1 287.234 1.027 20 0 CDADMM CCOC(=O)c1nc[n-]c1-c1nnc([C@@H]2C[C@@H]2C)o1 ZINC001256708389 948404908 /nfs/dbraw/zinc/40/49/08/948404908.db2.gz DXIWFYMDUJMLCE-NKWVEPMBSA-N -1 1 262.269 1.760 20 0 CDADMM Cc1cccc2[nH]c(CN[C@H](C(=O)[O-])[C@H](C)O)cc21 ZINC001332018052 948638500 /nfs/dbraw/zinc/63/85/00/948638500.db2.gz 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O=C(/C=C/[C@H]1CCOC1)OCC(=O)c1ccc([O-])cc1O ZINC001324670428 953504941 /nfs/dbraw/zinc/50/49/41/953504941.db2.gz YJUDIAYARGVHBF-DTWDLQQISA-N -1 1 292.287 1.416 20 0 CDADMM O=C([O-])C1CCN(Cc2cc(C3CC3)no2)CC1 ZINC001333144007 953778938 /nfs/dbraw/zinc/77/89/38/953778938.db2.gz HXKFMABPPQRQML-UHFFFAOYSA-N -1 1 250.298 1.849 20 0 CDADMM C[C@@H]1CCCN(C(=O)c2cccc3nn[nH]c32)[C@@H]1C(=O)[O-] ZINC001589327836 953926806 /nfs/dbraw/zinc/92/68/06/953926806.db2.gz BQRKXUUQLMFUIR-PELKAZGASA-N -1 1 288.307 1.283 20 0 CDADMM C[C@H]1CCCc2ncc(-c3nc([C@@H](N)CC(=O)[O-])no3)n21 ZINC001589333139 953961134 /nfs/dbraw/zinc/96/11/34/953961134.db2.gz ZCTITZMETLENCO-YUMQZZPRSA-N -1 1 291.311 1.305 20 0 CDADMM CCCN(CCC)C(=O)CCC(=O)Nc1c[n-][nH]c1=O ZINC001364090307 954191339 /nfs/dbraw/zinc/19/13/39/954191339.db2.gz GDRDVBMDBCIZEH-UHFFFAOYSA-N -1 1 282.344 1.483 20 0 CDADMM COc1ccc(F)c(C(=O)Nc2c[n-][nH]c2=O)c1OC ZINC001364095995 954197344 /nfs/dbraw/zinc/19/73/44/954197344.db2.gz VLFJTLYKUNCCJY-UHFFFAOYSA-N -1 1 281.243 1.524 20 0 CDADMM C[C@H]1CN(CN2CCSC2=O)CC[C@@H]1C(=O)[O-] ZINC001589398971 954393420 /nfs/dbraw/zinc/39/34/20/954393420.db2.gz KRMBHHOBFHDTFL-IUCAKERBSA-N -1 1 258.343 1.155 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001364508668 954708391 /nfs/dbraw/zinc/70/83/91/954708391.db2.gz UHOASBZQTVJVKA-SECBINFHSA-N -1 1 286.291 1.107 20 0 CDADMM NC(=O)c1csc(CNC(=O)c2cc(F)ccc2[O-])n1 ZINC001363283566 972052322 /nfs/dbraw/zinc/05/23/22/972052322.db2.gz PMNWUQWGAWIORL-UHFFFAOYSA-N -1 1 295.295 1.017 20 0 CDADMM C[C@@H](CNCc1ncc(Br)s1)C(=O)[O-] ZINC000714925535 955109409 /nfs/dbraw/zinc/10/94/09/955109409.db2.gz HNKKOHNYRZQTEU-YFKPBYRVSA-N -1 1 279.159 1.716 20 0 CDADMM Cc1nc(CNCCC(=O)[O-])sc1Br ZINC000719224736 955165236 /nfs/dbraw/zinc/16/52/36/955165236.db2.gz VBHCIQKQRXITNH-UHFFFAOYSA-N -1 1 279.159 1.778 20 0 CDADMM CCCN(CC(N)=O)Cc1cccc(C(=O)[O-])c1 ZINC000386868361 972086952 /nfs/dbraw/zinc/08/69/52/972086952.db2.gz VKQGBGYZJWQVJQ-UHFFFAOYSA-N -1 1 250.298 1.082 20 0 CDADMM C[C@@H](CN(C)C(=O)N[C@H]1CCCc2cn[nH]c21)C(=O)[O-] ZINC001589023176 955488369 /nfs/dbraw/zinc/48/83/69/955488369.db2.gz BYQWVNUJYRZCRP-WPRPVWTQSA-N -1 1 280.328 1.149 20 0 CDADMM C[C@@H](C[N@H+](C)Cc1ccc([O-])c(F)c1F)C(=O)[O-] ZINC001589034231 955547320 /nfs/dbraw/zinc/54/73/20/955547320.db2.gz UNWZYDFVQFNDGZ-ZETCQYMHSA-N -1 1 259.252 1.823 20 0 CDADMM C[C@@H](C[N@@H+](C)Cc1ccc([O-])c(F)c1F)C(=O)[O-] ZINC001589034231 955547335 /nfs/dbraw/zinc/54/73/35/955547335.db2.gz UNWZYDFVQFNDGZ-ZETCQYMHSA-N -1 1 259.252 1.823 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(=O)[nH]c2c1CCCC2 ZINC001363376830 972123619 /nfs/dbraw/zinc/12/36/19/972123619.db2.gz WNSVCCDFVANKEH-UHFFFAOYSA-N -1 1 288.307 1.655 20 0 CDADMM Cn1nc(C(=O)[O-])cc1CN1CCC(C(C)(C)O)CC1 ZINC001594571745 955890589 /nfs/dbraw/zinc/89/05/89/955890589.db2.gz HWZJALHJNFOSKT-UHFFFAOYSA-N -1 1 281.356 1.101 20 0 CDADMM Cc1ccc2[nH]c(C(=O)N(C)c3nn[n-]n3)cc2c1 ZINC001301547798 955958075 /nfs/dbraw/zinc/95/80/75/955958075.db2.gz MFSTXSDJBZIEAE-UHFFFAOYSA-N -1 1 256.269 1.266 20 0 CDADMM C[C@H](NC(=O)[C@H]1CCCN1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589114544 956083828 /nfs/dbraw/zinc/08/38/28/956083828.db2.gz SHCOEMPSJLKIKL-NNYUYHANSA-N -1 1 282.384 1.332 20 0 CDADMM O=C(Nc1cnc2[nH]ccc2c1)c1cnncc1[O-] ZINC001303461900 956084670 /nfs/dbraw/zinc/08/46/70/956084670.db2.gz PYDAQSIGXBFMFN-UHFFFAOYSA-N -1 1 255.237 1.262 20 0 CDADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1COC(=O)N1 ZINC001304281519 956185400 /nfs/dbraw/zinc/18/54/00/956185400.db2.gz FZQYJDJKSCFWTM-ZETCQYMHSA-N -1 1 274.635 1.232 20 0 CDADMM Cc1nn(CC(=O)Nc2c[n-][nH]c2=O)c(C)c1Cl ZINC001306847999 956335884 /nfs/dbraw/zinc/33/58/84/956335884.db2.gz IIAUNHDXTTZPRN-UHFFFAOYSA-N -1 1 269.692 1.221 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)C(=O)c1ccc2c(c1)CCC2 ZINC001306848399 956337929 /nfs/dbraw/zinc/33/79/29/956337929.db2.gz PTEFUMDQIMMTTP-UHFFFAOYSA-N -1 1 271.276 1.425 20 0 CDADMM Cc1oc(C(C)C)nc1C(=O)Nc1c[n-][nH]c1=O ZINC001306847935 956339101 /nfs/dbraw/zinc/33/91/01/956339101.db2.gz FSUXNGZGBFVXRQ-UHFFFAOYSA-N -1 1 250.258 1.787 20 0 CDADMM C[C@H](OC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C)C(=O)[O-] ZINC001589157164 956378376 /nfs/dbraw/zinc/37/83/76/956378376.db2.gz YFICFRVIFYSTMK-MHYGZLNHSA-N -1 1 252.270 1.092 20 0 CDADMM CN(Cc1nc(=O)n(C)[n-]1)c1cccc2cc[nH]c21 ZINC001307991806 956454256 /nfs/dbraw/zinc/45/42/56/956454256.db2.gz WJXYQRUPFLCKHO-UHFFFAOYSA-N -1 1 257.297 1.226 20 0 CDADMM CNS(=O)(=O)c1cc(C(=O)[N-]c2conc2C)c(C)o1 ZINC001363468946 972189694 /nfs/dbraw/zinc/18/96/94/972189694.db2.gz NUMJHCKHPMTQJB-UHFFFAOYSA-N -1 1 299.308 1.045 20 0 CDADMM CC(C)C(=O)N(C)[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001424101248 957120663 /nfs/dbraw/zinc/12/06/63/957120663.db2.gz CVRSHJLSNKNRCV-JTQLQIEISA-N -1 1 279.340 1.020 20 0 CDADMM C[C@H](C(=O)N(C)c1nn[n-]n1)c1ccc(Cl)cc1 ZINC001332689045 957670075 /nfs/dbraw/zinc/67/00/75/957670075.db2.gz RLXQQFCTPJJGHU-ZETCQYMHSA-N -1 1 265.704 1.620 20 0 CDADMM CC(C)(CCN1CCN(CC(F)(F)F)CC1)C(=O)[O-] 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c1cc(-c2nc(CC3CC3)no2)sc1-c1nnn[n-]1 ZINC000823737412 606620505 /nfs/dbraw/zinc/62/05/05/606620505.db2.gz DGQPQKIXQMAJFC-UHFFFAOYSA-N -1 1 274.309 1.931 20 0 CDADMM c1cc(-c2nc(CC3CC3)no2)sc1-c1nn[n-]n1 ZINC000823737412 606620506 /nfs/dbraw/zinc/62/05/06/606620506.db2.gz DGQPQKIXQMAJFC-UHFFFAOYSA-N -1 1 274.309 1.931 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CC=CCC1 ZINC000823435809 606652355 /nfs/dbraw/zinc/65/23/55/606652355.db2.gz ALLICDCSZKZSPB-LLVKDONJSA-N -1 1 285.307 1.661 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CC=CCC1 ZINC000823435809 606652356 /nfs/dbraw/zinc/65/23/56/606652356.db2.gz ALLICDCSZKZSPB-LLVKDONJSA-N -1 1 285.307 1.661 20 0 CDADMM Cc1ccccc1OCCCn1ccnc1-c1nnn[n-]1 ZINC000822366988 606654973 /nfs/dbraw/zinc/65/49/73/606654973.db2.gz YPRAYBRASFFJDN-UHFFFAOYSA-N -1 1 284.323 1.841 20 0 CDADMM Cc1ccccc1OCCCn1ccnc1-c1nn[n-]n1 ZINC000822366988 606654974 /nfs/dbraw/zinc/65/49/74/606654974.db2.gz YPRAYBRASFFJDN-UHFFFAOYSA-N -1 1 284.323 1.841 20 0 CDADMM Fc1ccc(OCCCn2ccnc2-c2nnn[n-]2)cc1 ZINC000822783157 606655229 /nfs/dbraw/zinc/65/52/29/606655229.db2.gz XRXKNTQCIUTEMG-UHFFFAOYSA-N -1 1 288.286 1.671 20 0 CDADMM Fc1ccc(OCCCn2ccnc2-c2nn[n-]n2)cc1 ZINC000822783157 606655230 /nfs/dbraw/zinc/65/52/30/606655230.db2.gz XRXKNTQCIUTEMG-UHFFFAOYSA-N -1 1 288.286 1.671 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@@H]2CCC[C@@H]3OCC[C@H]32)n1 ZINC000823809673 606728593 /nfs/dbraw/zinc/72/85/93/606728593.db2.gz PIVPHHIJVGRKNC-AEJSXWLSSA-N -1 1 287.327 1.026 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@@H]2CCC[C@@H]3OCC[C@H]32)n1 ZINC000823809673 606728595 /nfs/dbraw/zinc/72/85/95/606728595.db2.gz PIVPHHIJVGRKNC-AEJSXWLSSA-N -1 1 287.327 1.026 20 0 CDADMM O=C(OC[C@H]1CCSC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823400553 606802181 /nfs/dbraw/zinc/80/21/81/606802181.db2.gz GOIQZNQRBBIMCH-MRVPVSSYSA-N -1 1 291.336 1.172 20 0 CDADMM O=C(OC[C@H]1CCSC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823400553 606802183 /nfs/dbraw/zinc/80/21/83/606802183.db2.gz GOIQZNQRBBIMCH-MRVPVSSYSA-N -1 1 291.336 1.172 20 0 CDADMM C[C@@H]1N(c2cccc(-c3nnn[n-]3)n2)CCOC1(C)C ZINC000820819195 606876678 /nfs/dbraw/zinc/87/66/78/606876678.db2.gz GHIWCMOFILJRHF-VIFPVBQESA-N -1 1 274.328 1.265 20 0 CDADMM C[C@@H]1N(c2cccc(-c3nn[n-]n3)n2)CCOC1(C)C ZINC000820819195 606876680 /nfs/dbraw/zinc/87/66/80/606876680.db2.gz GHIWCMOFILJRHF-VIFPVBQESA-N -1 1 274.328 1.265 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])O1 ZINC000820674538 606967434 /nfs/dbraw/zinc/96/74/34/606967434.db2.gz DTSGGTHDRXXYKW-RDDDGLTNSA-N -1 1 289.295 1.078 20 0 CDADMM O=C(Nc1ccc(F)nc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823345771 607100928 /nfs/dbraw/zinc/10/09/28/607100928.db2.gz DVUIPJGJKIAQND-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM O=C(Nc1ccc(F)nc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823345771 607100929 /nfs/dbraw/zinc/10/09/29/607100929.db2.gz DVUIPJGJKIAQND-UHFFFAOYSA-N -1 1 285.242 1.048 20 0 CDADMM COc1ccc(NCc2ccc(-c3nnn[n-]3)o2)nc1 ZINC000821835681 607228940 /nfs/dbraw/zinc/22/89/40/607228940.db2.gz PFDPSNHODIXNRI-UHFFFAOYSA-N -1 1 272.268 1.475 20 0 CDADMM COc1ccc(NCc2ccc(-c3nn[n-]n3)o2)nc1 ZINC000821835681 607228941 /nfs/dbraw/zinc/22/89/41/607228941.db2.gz PFDPSNHODIXNRI-UHFFFAOYSA-N -1 1 272.268 1.475 20 0 CDADMM O=[N+]([O-])c1cccc(Oc2cccc(-c3nnn[n-]3)n2)c1 ZINC000095144901 607894397 /nfs/dbraw/zinc/89/43/97/607894397.db2.gz JVBKKVPBTVLXDI-UHFFFAOYSA-N -1 1 284.235 1.962 20 0 CDADMM O=[N+]([O-])c1cccc(Oc2cccc(-c3nn[n-]n3)n2)c1 ZINC000095144901 607894398 /nfs/dbraw/zinc/89/43/98/607894398.db2.gz JVBKKVPBTVLXDI-UHFFFAOYSA-N -1 1 284.235 1.962 20 0 CDADMM CC1=CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000824851643 607911579 /nfs/dbraw/zinc/91/15/79/607911579.db2.gz BKGITGVWRXNRRE-UHFFFAOYSA-N -1 1 270.296 1.054 20 0 CDADMM CC1=CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000824851643 607911580 /nfs/dbraw/zinc/91/15/80/607911580.db2.gz BKGITGVWRXNRRE-UHFFFAOYSA-N -1 1 270.296 1.054 20 0 CDADMM c1csc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826526022 607988112 /nfs/dbraw/zinc/98/81/12/607988112.db2.gz IHNGLXLXTNUZAP-UHFFFAOYSA-N -1 1 259.298 1.330 20 0 CDADMM c1csc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826526022 607988113 /nfs/dbraw/zinc/98/81/13/607988113.db2.gz IHNGLXLXTNUZAP-UHFFFAOYSA-N -1 1 259.298 1.330 20 0 CDADMM CCc1n[nH]cc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825679819 607998480 /nfs/dbraw/zinc/99/84/80/607998480.db2.gz INEHZESEWOFQHK-UHFFFAOYSA-N -1 1 299.294 1.110 20 0 CDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccn1 ZINC000824656239 608389311 /nfs/dbraw/zinc/38/93/11/608389311.db2.gz JMHVVRNLJFDWGL-MRVPVSSYSA-N -1 1 268.284 1.225 20 0 CDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccn1 ZINC000824656239 608389314 /nfs/dbraw/zinc/38/93/14/608389314.db2.gz JMHVVRNLJFDWGL-MRVPVSSYSA-N -1 1 268.284 1.225 20 0 CDADMM C[C@H]1CCCC[C@H]1N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824936451 608394626 /nfs/dbraw/zinc/39/46/26/608394626.db2.gz HJEKHOFLJDZJFH-GXSJLCMTSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@H]1CCCC[C@H]1N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824936451 608394628 /nfs/dbraw/zinc/39/46/28/608394628.db2.gz HJEKHOFLJDZJFH-GXSJLCMTSA-N -1 1 273.344 1.672 20 0 CDADMM c1cncc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826525353 608395083 /nfs/dbraw/zinc/39/50/83/608395083.db2.gz GQEXRBXTQBINMP-GFCCVEGCSA-N -1 1 294.322 1.393 20 0 CDADMM c1cncc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826525353 608395085 /nfs/dbraw/zinc/39/50/85/608395085.db2.gz GQEXRBXTQBINMP-GFCCVEGCSA-N -1 1 294.322 1.393 20 0 CDADMM CC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccncc1 ZINC000825149413 608422650 /nfs/dbraw/zinc/42/26/50/608422650.db2.gz YBODWTLGDBCQCW-JTQLQIEISA-N -1 1 282.311 1.615 20 0 CDADMM CC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccncc1 ZINC000825149413 608422652 /nfs/dbraw/zinc/42/26/52/608422652.db2.gz YBODWTLGDBCQCW-JTQLQIEISA-N -1 1 282.311 1.615 20 0 CDADMM Cc1ncc(CN(C)Cc2ccc(-c3nnn[n-]3)o2)s1 ZINC000826329768 608612650 /nfs/dbraw/zinc/61/26/50/608612650.db2.gz RBGCBGLEYXIKLH-UHFFFAOYSA-N -1 1 290.352 1.857 20 0 CDADMM ClC1(Cl)C[C@@H]1Cn1ccnc1-c1nnn[n-]1 ZINC000826349939 608894575 /nfs/dbraw/zinc/89/45/75/608894575.db2.gz AIWOABMNAUVDPP-RXMQYKEDSA-N -1 1 259.100 1.257 20 0 CDADMM ClC1(Cl)C[C@@H]1Cn1ccnc1-c1nn[n-]n1 ZINC000826349939 608894579 /nfs/dbraw/zinc/89/45/79/608894579.db2.gz AIWOABMNAUVDPP-RXMQYKEDSA-N -1 1 259.100 1.257 20 0 CDADMM COc1ccccc1Cn1ccnc1-c1nnn[n-]1 ZINC000826220281 608894739 /nfs/dbraw/zinc/89/47/39/608894739.db2.gz IOWIZBWJXKVSAM-UHFFFAOYSA-N -1 1 256.269 1.120 20 0 CDADMM COc1ccccc1Cn1ccnc1-c1nn[n-]n1 ZINC000826220281 608894741 /nfs/dbraw/zinc/89/47/41/608894741.db2.gz IOWIZBWJXKVSAM-UHFFFAOYSA-N -1 1 256.269 1.120 20 0 CDADMM C[C@@H]1CC(C(=O)n2ncc(-c3nn[n-]n3)c2N)C[C@@H](C)C1 ZINC000824875269 609150071 /nfs/dbraw/zinc/15/00/71/609150071.db2.gz KHKKBMIUXHYZHR-YUMQZZPRSA-N -1 1 289.343 1.358 20 0 CDADMM C[C@H]1C[C@H](C(=O)n2ncc(-c3nn[n-]n3)c2N)C[C@@H](C)C1 ZINC000824875267 609150178 /nfs/dbraw/zinc/15/01/78/609150178.db2.gz KHKKBMIUXHYZHR-BRPSZJMVSA-N -1 1 289.343 1.358 20 0 CDADMM CO[C@H](CN[C@@H](C(=O)[O-])c1cccs1)C1CC1 ZINC000901597007 624363925 /nfs/dbraw/zinc/36/39/25/624363925.db2.gz CRPDPDBUYVXWMM-MWLCHTKSSA-N -1 1 255.339 1.888 20 0 CDADMM CC[C@H](C)Sc1nc([O-])cc(=O)n1CCOC ZINC000901655970 624395536 /nfs/dbraw/zinc/39/55/36/624395536.db2.gz JIQMUQXTRBSEES-QMMMGPOBSA-N -1 1 258.343 1.486 20 0 CDADMM C[C@H]1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC000824915187 609389480 /nfs/dbraw/zinc/38/94/80/609389480.db2.gz CBNSRLYROGHGEE-HZMBPMFUSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@H]1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC000824915187 609389483 /nfs/dbraw/zinc/38/94/83/609389483.db2.gz CBNSRLYROGHGEE-HZMBPMFUSA-N -1 1 285.355 1.673 20 0 CDADMM CS[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC000826225410 609590632 /nfs/dbraw/zinc/59/06/32/609590632.db2.gz BIOSLMPRJUUTTM-VIFPVBQESA-N -1 1 293.400 1.846 20 0 CDADMM CS[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC000826225410 609590633 /nfs/dbraw/zinc/59/06/33/609590633.db2.gz BIOSLMPRJUUTTM-VIFPVBQESA-N -1 1 293.400 1.846 20 0 CDADMM OCC1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CCC1 ZINC000826508124 609606418 /nfs/dbraw/zinc/60/64/18/609606418.db2.gz FMGODPZWNBDCLN-UHFFFAOYSA-N -1 1 294.746 1.490 20 0 CDADMM OCC1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CCC1 ZINC000826508124 609606420 /nfs/dbraw/zinc/60/64/20/609606420.db2.gz FMGODPZWNBDCLN-UHFFFAOYSA-N -1 1 294.746 1.490 20 0 CDADMM O=C(NCC[C@H](O)C1CC1)c1ccc(Cl)cc1[O-] ZINC000890731301 617310719 /nfs/dbraw/zinc/31/07/19/617310719.db2.gz VDQZNDYHPQVWEV-NSHDSACASA-N -1 1 269.728 1.936 20 0 CDADMM [O-]C(=NO[C@@H]1CCCCO1)Nc1cc2ccccn2n1 ZINC000806653201 617331943 /nfs/dbraw/zinc/33/19/43/617331943.db2.gz XVRBWJKANIXJHZ-GFCCVEGCSA-N -1 1 276.296 1.914 20 0 CDADMM O=C([N-]O[C@@H]1CCCCO1)Nc1cc2ccccn2n1 ZINC000806653201 617331944 /nfs/dbraw/zinc/33/19/44/617331944.db2.gz XVRBWJKANIXJHZ-GFCCVEGCSA-N -1 1 276.296 1.914 20 0 CDADMM COCc1nc(NCC2CCSCC2)cc(=O)[n-]1 ZINC000892514874 617466170 /nfs/dbraw/zinc/46/61/70/617466170.db2.gz WHXXFOZODDCYDP-UHFFFAOYSA-N -1 1 269.370 1.884 20 0 CDADMM CC(C)C(=O)N(C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937212615 614341908 /nfs/dbraw/zinc/34/19/08/614341908.db2.gz WWKGCBANWRNFAY-NSHDSACASA-N -1 1 291.351 1.116 20 0 CDADMM C/C=C\C[C@H](CO)Nc1cc(=O)[n-]c(COC)n1 ZINC000893240461 617482773 /nfs/dbraw/zinc/48/27/73/617482773.db2.gz WZHHOYQUYOWSGP-ZBJFTSOASA-N -1 1 253.302 1.068 20 0 CDADMM CO[C@@](C)(C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)C1CC1 ZINC000891616072 617505129 /nfs/dbraw/zinc/50/51/29/617505129.db2.gz XVMNVMUFWAHBNV-OAHLLOKOSA-N -1 1 291.351 1.815 20 0 CDADMM C[C@@]1(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CCCOC1 ZINC000891618554 617506921 /nfs/dbraw/zinc/50/69/21/617506921.db2.gz QBFXXSZAVZBGGE-OAHLLOKOSA-N -1 1 291.351 1.816 20 0 CDADMM CCC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000983374149 614873287 /nfs/dbraw/zinc/87/32/87/614873287.db2.gz JDODIPVDDBFRIO-GHMZBOCLSA-N -1 1 291.351 1.354 20 0 CDADMM O=C([N-]CCC[S@@](=O)CC1CC1)C(F)(F)F ZINC000840884888 617539127 /nfs/dbraw/zinc/53/91/27/617539127.db2.gz SUMXUXATQOMIMF-MRXNPFEDSA-N -1 1 257.277 1.214 20 0 CDADMM CC1CCN(CC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])CC1 ZINC000909667672 620715777 /nfs/dbraw/zinc/71/57/77/620715777.db2.gz WSBYPQJRQVPEKU-SECBINFHSA-N -1 1 296.289 1.240 20 0 CDADMM COCc1nc(NCCCc2c(C)noc2C)cc(=O)[n-]1 ZINC000892875660 617852537 /nfs/dbraw/zinc/85/25/37/617852537.db2.gz HUHPPZYERDFIGV-UHFFFAOYSA-N -1 1 292.339 1.978 20 0 CDADMM CC[C@]1(C)CCN(c2cc(=O)[n-]c(COC)n2)C1 ZINC000892898969 617877908 /nfs/dbraw/zinc/87/79/08/617877908.db2.gz CGRGEULGWYLEKB-CYBMUJFWSA-N -1 1 251.330 1.955 20 0 CDADMM CC(C)Cc1ccccc1C(=O)N(C)c1nn[n-]n1 ZINC000892954367 617974874 /nfs/dbraw/zinc/97/48/74/617974874.db2.gz IRGITEXXQSUBSC-UHFFFAOYSA-N -1 1 259.313 1.675 20 0 CDADMM CC(C)[C@H]1C[C@H](CC(=O)N(C)c2nn[n-]n2)CCO1 ZINC000892954659 617976948 /nfs/dbraw/zinc/97/69/48/617976948.db2.gz PFPMEGYPYXYDTD-NXEZZACHSA-N -1 1 267.333 1.004 20 0 CDADMM CCC(CC)(CC(=O)[O-])NC(=O)CN(C)C1CCC1 ZINC000909375288 618006922 /nfs/dbraw/zinc/00/69/22/618006922.db2.gz KYUXSZSAZZPZFW-UHFFFAOYSA-N -1 1 270.373 1.620 20 0 CDADMM CCC[C@]1(CO)CCN(c2cc(=O)[n-]c(COC)n2)C1 ZINC000893898061 618147980 /nfs/dbraw/zinc/14/79/80/618147980.db2.gz PCGFETUBDQMNAX-AWEZNQCLSA-N -1 1 281.356 1.318 20 0 CDADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@H]1CC12CC(O)C2 ZINC000888946852 618148869 /nfs/dbraw/zinc/14/88/69/618148869.db2.gz ORXCHMUIQVYCHL-PEUVISTOSA-N -1 1 281.739 1.618 20 0 CDADMM CC(C)CCC[C@@H](NC(=O)[C@H]1CCCN1C)C(=O)[O-] ZINC000910573903 618276453 /nfs/dbraw/zinc/27/64/53/618276453.db2.gz CFFFDSYBHVGIOO-VXGBXAGGSA-N -1 1 270.373 1.476 20 0 CDADMM CCc1ccc(CN[C@@H](C(=O)[O-])[C@@H]2CCCOC2)o1 ZINC000901829991 618278155 /nfs/dbraw/zinc/27/81/55/618278155.db2.gz AIRMWGSIISOKIZ-ZWNOBZJWSA-N -1 1 267.325 1.811 20 0 CDADMM COCc1nc(N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc(=O)[n-]1 ZINC000894046421 618293087 /nfs/dbraw/zinc/29/30/87/618293087.db2.gz NYWYPPUJDIQYMV-UTUOFQBUSA-N -1 1 293.367 1.458 20 0 CDADMM COc1ccc([C@@H](NCc2c[nH]nc2C)C(=O)[O-])cc1F ZINC000901862397 618302627 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Cc1ccc(NCCCCF)c(-c2nn[n-]n2)n1 ZINC001605874092 1163702843 /nfs/dbraw/zinc/70/28/43/1163702843.db2.gz IIOGENHJVUCVSN-UHFFFAOYSA-N -1 1 250.281 1.732 20 0 CDADMM Cc1ccc(NC[C@@H]2CCO[C@@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001605874250 1163702985 /nfs/dbraw/zinc/70/29/85/1163702985.db2.gz LBICSMCHKCQANA-WDEREUQCSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(NC[C@@H]2CCO[C@@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001605874250 1163702991 /nfs/dbraw/zinc/70/29/91/1163702991.db2.gz LBICSMCHKCQANA-WDEREUQCSA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccccc1CN(C)c1ncncc1-c1nn[n-]n1 ZINC001605940406 1163720727 /nfs/dbraw/zinc/72/07/27/1163720727.db2.gz ZOYHBHWEICDLOE-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1ccn(Cc2cccc(F)c2)c(=O)c1-c1nn[n-]n1 ZINC001605952979 1163725972 /nfs/dbraw/zinc/72/59/72/1163725972.db2.gz SJJSQQLYNUPNPK-UHFFFAOYSA-N -1 1 285.282 1.524 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N(CC(C)C)C2CC2)n1 ZINC001606019183 1163745569 /nfs/dbraw/zinc/74/55/69/1163745569.db2.gz AADTZDHOYDVRDE-UHFFFAOYSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N(CC(C)C)C2CC2)n1 ZINC001606019183 1163745574 /nfs/dbraw/zinc/74/55/74/1163745574.db2.gz AADTZDHOYDVRDE-UHFFFAOYSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(CCc2cscn2)c1C ZINC001606021500 1163748374 /nfs/dbraw/zinc/74/83/74/1163748374.db2.gz VBUBDWRNICAEDY-UHFFFAOYSA-N -1 1 275.341 1.379 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C)c1cnccn1 ZINC001606169520 1163796542 /nfs/dbraw/zinc/79/65/42/1163796542.db2.gz XVCHQMABQIPHBO-ZETCQYMHSA-N -1 1 299.294 1.049 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C)c1cnccn1 ZINC001606169520 1163796550 /nfs/dbraw/zinc/79/65/50/1163796550.db2.gz XVCHQMABQIPHBO-ZETCQYMHSA-N -1 1 299.294 1.049 20 0 CDADMM Clc1ccc(N[C@@H]2C[C@@H]3CC[C@H]2O3)nc1-c1nnn[n-]1 ZINC001606193313 1163803223 /nfs/dbraw/zinc/80/32/23/1163803223.db2.gz APLRUXFDLDXGRT-NBEYISGCSA-N -1 1 292.730 1.647 20 0 CDADMM Clc1ccc(N[C@@H]2C[C@@H]3CC[C@H]2O3)nc1-c1nn[n-]n1 ZINC001606193313 1163803230 /nfs/dbraw/zinc/80/32/30/1163803230.db2.gz APLRUXFDLDXGRT-NBEYISGCSA-N -1 1 292.730 1.647 20 0 CDADMM Clc1nsc(N2CC[C@@]23CCOC3)c1-c1nnn[n-]1 ZINC001606199082 1163806013 /nfs/dbraw/zinc/80/60/13/1163806013.db2.gz BZBULSPNBJADMF-JTQLQIEISA-N -1 1 298.759 1.346 20 0 CDADMM Clc1nsc(N2CC[C@@]23CCOC3)c1-c1nn[n-]n1 ZINC001606199082 1163806018 /nfs/dbraw/zinc/80/60/18/1163806018.db2.gz BZBULSPNBJADMF-JTQLQIEISA-N -1 1 298.759 1.346 20 0 CDADMM Cn1ncc2c1CN(Cc1csc(-c3nn[n-]n3)c1)C2 ZINC001606277222 1163835674 /nfs/dbraw/zinc/83/56/74/1163835674.db2.gz PDQYPIXZTPEGRP-UHFFFAOYSA-N -1 1 287.352 1.178 20 0 CDADMM Cn1ncnc1Sc1cccc(F)c1-c1nn[n-]n1 ZINC001606284697 1163836999 /nfs/dbraw/zinc/83/69/99/1163836999.db2.gz ZUPMBYATEASYQN-UHFFFAOYSA-N -1 1 277.288 1.286 20 0 CDADMM Fc1ncccc1CNCc1nc(-c2nnn[n-]2)cs1 ZINC001606336352 1163866830 /nfs/dbraw/zinc/86/68/30/1163866830.db2.gz YOSRNGXBPXBVRL-UHFFFAOYSA-N -1 1 291.315 1.147 20 0 CDADMM Fc1ncccc1CNCc1nc(-c2nn[n-]n2)cs1 ZINC001606336352 1163866835 /nfs/dbraw/zinc/86/68/35/1163866835.db2.gz YOSRNGXBPXBVRL-UHFFFAOYSA-N -1 1 291.315 1.147 20 0 CDADMM O=C(NCCCC(F)F)c1ccsc1-c1nnn[n-]1 ZINC001606764769 1163988042 /nfs/dbraw/zinc/98/80/42/1163988042.db2.gz VLLVKSBEGCJIBJ-UHFFFAOYSA-N -1 1 287.295 1.703 20 0 CDADMM O=C(NCCCC(F)F)c1ccsc1-c1nn[n-]n1 ZINC001606764769 1163988050 /nfs/dbraw/zinc/98/80/50/1163988050.db2.gz VLLVKSBEGCJIBJ-UHFFFAOYSA-N -1 1 287.295 1.703 20 0 CDADMM COCCOc1ccc(CN[C@H](CF)C(=O)[O-])cc1 ZINC001606913671 1164030483 /nfs/dbraw/zinc/03/04/83/1164030483.db2.gz ZOBAQMXFNGZWMG-GFCCVEGCSA-N -1 1 271.288 1.224 20 0 CDADMM O=C(OC(C1CC1)C1CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606963439 1164038269 /nfs/dbraw/zinc/03/82/69/1164038269.db2.gz XAJFKXFIZOAUIT-UHFFFAOYSA-N -1 1 285.307 1.607 20 0 CDADMM O=C(OC(C1CC1)C1CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606963439 1164038271 /nfs/dbraw/zinc/03/82/71/1164038271.db2.gz XAJFKXFIZOAUIT-UHFFFAOYSA-N -1 1 285.307 1.607 20 0 CDADMM COCc1ccc(CN2CCC([C@@H](O)C(=O)[O-])CC2)o1 ZINC001606960149 1164040286 /nfs/dbraw/zinc/04/02/86/1164040286.db2.gz OHKXSACKSZPHNS-CYBMUJFWSA-N -1 1 283.324 1.084 20 0 CDADMM COCn1ncc(C)c1CN1CCC(C(=O)[O-])CC1 ZINC001606985981 1164050538 /nfs/dbraw/zinc/05/05/38/1164050538.db2.gz XHHHVGMLDKPUTE-UHFFFAOYSA-N -1 1 267.329 1.092 20 0 CDADMM O=C(Oc1ccc2c[nH]nc2c1)c1ccc(-c2nn[n-]n2)o1 ZINC001606990545 1164054569 /nfs/dbraw/zinc/05/45/69/1164054569.db2.gz IHCZOFXDRBMVBS-UHFFFAOYSA-N -1 1 296.246 1.555 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@H]1C1CCC1 ZINC001607030597 1164064868 /nfs/dbraw/zinc/06/48/68/1164064868.db2.gz KAIKERKAHCRODZ-NSHDSACASA-N -1 1 287.323 1.864 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@H]1C1CCC1 ZINC001607030597 1164064875 /nfs/dbraw/zinc/06/48/75/1164064875.db2.gz KAIKERKAHCRODZ-NSHDSACASA-N -1 1 287.323 1.864 20 0 CDADMM O=c1c(-c2nn[n-]n2)ccc(C(F)(F)F)n1CC1CCC1 ZINC001607091266 1164078101 /nfs/dbraw/zinc/07/81/01/1164078101.db2.gz CHCDZUMTGMJWPL-UHFFFAOYSA-N -1 1 299.256 1.847 20 0 CDADMM Oc1ccc(CCCNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001607111041 1164089559 /nfs/dbraw/zinc/08/95/59/1164089559.db2.gz PSZGRVTYAVYYIL-UHFFFAOYSA-N -1 1 297.322 1.407 20 0 CDADMM Oc1ccc(CCCNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001607111041 1164089562 /nfs/dbraw/zinc/08/95/62/1164089562.db2.gz PSZGRVTYAVYYIL-UHFFFAOYSA-N -1 1 297.322 1.407 20 0 CDADMM c1cc(NCCC2CCCC2)nc(-c2nn[n-]n2)n1 ZINC001607121015 1164103292 /nfs/dbraw/zinc/10/32/92/1164103292.db2.gz KVLJIHGZXPZMII-UHFFFAOYSA-N -1 1 259.317 1.071 20 0 CDADMM c1cc([C@@H]2C[C@H]2Nc2ccnc(-c3nnn[n-]3)c2)cs1 ZINC001607122344 1164105546 /nfs/dbraw/zinc/10/55/46/1164105546.db2.gz ZMJFVAPFKLHNGE-WDEREUQCSA-N -1 1 284.348 1.713 20 0 CDADMM c1cc([C@@H]2C[C@H]2Nc2ccnc(-c3nn[n-]n3)c2)cs1 ZINC001607122344 1164105552 /nfs/dbraw/zinc/10/55/52/1164105552.db2.gz ZMJFVAPFKLHNGE-WDEREUQCSA-N -1 1 284.348 1.713 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NC[C@@H]2C[C@H]3CCC[C@@H]3O2)n1 ZINC001607139026 1164120236 /nfs/dbraw/zinc/12/02/36/1164120236.db2.gz SRNPUJQFAIWKIU-YWVKMMECSA-N -1 1 287.327 1.026 20 0 CDADMM Cc1cc(CN2CC[C@@H](n3cccn3)C2)oc1C(=O)[O-] ZINC001607640015 1164251779 /nfs/dbraw/zinc/25/17/79/1164251779.db2.gz UKAXIKBFVZOFAF-LLVKDONJSA-N -1 1 275.308 1.930 20 0 CDADMM Cc1csc(C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)c1 ZINC001607923710 1164340075 /nfs/dbraw/zinc/34/00/75/1164340075.db2.gz HVXQKZVKIYRRQT-SNVBAGLBSA-N -1 1 282.365 1.145 20 0 CDADMM Cc1ncc(CN2[C@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)o1 ZINC001607977764 1164358943 /nfs/dbraw/zinc/35/89/43/1164358943.db2.gz DEYFIOBAKINWRK-YJRXYDGGSA-N -1 1 280.324 1.578 20 0 CDADMM Cc1noc([C@@H]2CCCN(Cc3ccc(C(=O)[O-])[nH]3)C2)n1 ZINC001608025395 1164382649 /nfs/dbraw/zinc/38/26/49/1164382649.db2.gz VHDBXEBGBABUER-SNVBAGLBSA-N -1 1 290.323 1.784 20 0 CDADMM Cn1nc(CN[C@](C)(CCF)C(=O)[O-])cc1C(F)(F)F ZINC001608148850 1164426268 /nfs/dbraw/zinc/42/62/68/1164426268.db2.gz UVRLUDAUOMLKSE-SNVBAGLBSA-N -1 1 297.252 1.731 20 0 CDADMM Cn1nccc1[C@@H]1CCCCN1C[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC001608161823 1164429897 /nfs/dbraw/zinc/42/98/97/1164429897.db2.gz BHGXFYKPSHZUCH-ZMLRMANQSA-N -1 1 299.321 1.913 20 0 CDADMM O=C([O-])[C@H](NC(=O)c1cccc2nc[nH]c21)c1ccccn1 ZINC001608387326 1164503187 /nfs/dbraw/zinc/50/31/87/1164503187.db2.gz CEEFCWVCYLQKFI-CYBMUJFWSA-N -1 1 296.286 1.514 20 0 CDADMM O=C([O-])c1ccc(CNCc2ccc3nonc3c2)nc1 ZINC001608887257 1164677252 /nfs/dbraw/zinc/67/72/52/1164677252.db2.gz LWPSTBPMTHNXMZ-UHFFFAOYSA-N -1 1 284.275 1.606 20 0 CDADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)[C@@H](O)c1ccccc1 ZINC001609126987 1164782431 /nfs/dbraw/zinc/78/24/31/1164782431.db2.gz QMGRVJHFCNCFGG-QMTHXVAHSA-N -1 1 296.334 1.796 20 0 CDADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)[C@@H](O)c1ccccc1 ZINC001609126987 1164782439 /nfs/dbraw/zinc/78/24/39/1164782439.db2.gz QMGRVJHFCNCFGG-QMTHXVAHSA-N -1 1 296.334 1.796 20 0 CDADMM CC1(C)CC(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001609144502 1164793138 /nfs/dbraw/zinc/79/31/38/1164793138.db2.gz ZUBNGMMIFOJVJR-UHFFFAOYSA-N -1 1 286.339 1.428 20 0 CDADMM CC1(C)CC(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001609144502 1164793144 /nfs/dbraw/zinc/79/31/44/1164793144.db2.gz ZUBNGMMIFOJVJR-UHFFFAOYSA-N -1 1 286.339 1.428 20 0 CDADMM CC[C@H]1CCC[C@@H]1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609199826 1164840165 /nfs/dbraw/zinc/84/01/65/1164840165.db2.gz GQGHXSFOMUEFOA-ONGXEEELSA-N -1 1 286.339 1.570 20 0 CDADMM CC[C@H]1CCC[C@@H]1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609199826 1164840172 /nfs/dbraw/zinc/84/01/72/1164840172.db2.gz GQGHXSFOMUEFOA-ONGXEEELSA-N -1 1 286.339 1.570 20 0 CDADMM CC/C=C\CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609203241 1164842641 /nfs/dbraw/zinc/84/26/41/1164842641.db2.gz CWLSVTSRNMEDSE-ARJAWSKDSA-N -1 1 273.300 1.349 20 0 CDADMM CC/C=C\CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609203241 1164842644 /nfs/dbraw/zinc/84/26/44/1164842644.db2.gz CWLSVTSRNMEDSE-ARJAWSKDSA-N -1 1 273.300 1.349 20 0 CDADMM CO[C@@H]1[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1(C)C ZINC001609311786 1164888604 /nfs/dbraw/zinc/88/86/04/1164888604.db2.gz DTYBSAMJGUODJH-BKDNQFJXSA-N -1 1 289.343 1.128 20 0 CDADMM CO[C@@H]1[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1(C)C ZINC001609311786 1164888615 /nfs/dbraw/zinc/88/86/15/1164888615.db2.gz DTYBSAMJGUODJH-BKDNQFJXSA-N -1 1 289.343 1.128 20 0 CDADMM Cc1cc(N(C)[C@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001609404242 1164932594 /nfs/dbraw/zinc/93/25/94/1164932594.db2.gz LPXKUXXDGJUDCP-JTQLQIEISA-N -1 1 274.328 1.185 20 0 CDADMM Cc1cc(N(C)[C@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001609404242 1164932598 /nfs/dbraw/zinc/93/25/98/1164932598.db2.gz LPXKUXXDGJUDCP-JTQLQIEISA-N -1 1 274.328 1.185 20 0 CDADMM Cc1ccn(C/C(Cl)=C\Cl)c(=O)c1-c1nn[n-]n1 ZINC001609437381 1164946383 /nfs/dbraw/zinc/94/63/83/1164946383.db2.gz CJJLJWMYCWWLCJ-QPJJXVBHSA-N -1 1 286.122 1.656 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCCOC[C@@H]1C ZINC001609466986 1164964347 /nfs/dbraw/zinc/96/43/47/1164964347.db2.gz PTUMUMMPNJAAHK-QMMMGPOBSA-N -1 1 291.311 1.019 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCCOC[C@@H]1C ZINC001609466986 1164964353 /nfs/dbraw/zinc/96/43/53/1164964353.db2.gz PTUMUMMPNJAAHK-QMMMGPOBSA-N -1 1 291.311 1.019 20 0 CDADMM O=C(NCCC1(F)CCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001609547300 1164988082 /nfs/dbraw/zinc/98/80/82/1164988082.db2.gz YQIMUCTVCRNRJP-UHFFFAOYSA-N -1 1 290.302 1.274 20 0 CDADMM O=C(NCCC1(F)CCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001609547300 1164988088 /nfs/dbraw/zinc/98/80/88/1164988088.db2.gz YQIMUCTVCRNRJP-UHFFFAOYSA-N -1 1 290.302 1.274 20 0 CDADMM O=C(OCc1ccncc1)c1cccc(-c2nnn[n-]2)n1 ZINC001609577681 1164997030 /nfs/dbraw/zinc/99/70/30/1164997030.db2.gz NJJIDDSUZOVRJI-UHFFFAOYSA-N -1 1 282.263 1.014 20 0 CDADMM O=C(OCc1ccncc1)c1cccc(-c2nn[n-]n2)n1 ZINC001609577681 1164997035 /nfs/dbraw/zinc/99/70/35/1164997035.db2.gz NJJIDDSUZOVRJI-UHFFFAOYSA-N -1 1 282.263 1.014 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC[C@H]1CC2CCC1CC2 ZINC001609613199 1165007073 /nfs/dbraw/zinc/00/70/73/1165007073.db2.gz RAWBVWQVIPAWCD-VQXHTEKXSA-N -1 1 285.355 1.895 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC[C@H]1CC2CCC1CC2 ZINC001609613199 1165007079 /nfs/dbraw/zinc/00/70/79/1165007079.db2.gz RAWBVWQVIPAWCD-VQXHTEKXSA-N -1 1 285.355 1.895 20 0 CDADMM c1cn2ncc(-c3nn[n-]n3)c2n1CCCc1ccccc1 ZINC001609616743 1165012500 /nfs/dbraw/zinc/01/25/00/1165012500.db2.gz BYNBLJKFFZIFRC-UHFFFAOYSA-N -1 1 293.334 1.949 20 0 CDADMM c1ccc([C@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC001609616565 1165013455 /nfs/dbraw/zinc/01/34/55/1165013455.db2.gz SRUBEJRHPQKNBR-ZDUSSCGKSA-N -1 1 293.334 1.642 20 0 CDADMM c1cnn(C2CCN(c3cccnc3-c3nnn[n-]3)CC2)c1 ZINC001609619726 1165015970 /nfs/dbraw/zinc/01/59/70/1165015970.db2.gz ZQVAHUFAXSRPEJ-UHFFFAOYSA-N -1 1 296.338 1.300 20 0 CDADMM c1cnn(C2CCN(c3cccnc3-c3nn[n-]n3)CC2)c1 ZINC001609619726 1165015972 /nfs/dbraw/zinc/01/59/72/1165015972.db2.gz ZQVAHUFAXSRPEJ-UHFFFAOYSA-N -1 1 296.338 1.300 20 0 CDADMM C[C@@H]1CSCCN1Cc1cc(C(=O)[O-])n(C)c1 ZINC001609876557 1165126398 /nfs/dbraw/zinc/12/63/98/1165126398.db2.gz HKXMDUHDVMHRKL-SECBINFHSA-N -1 1 254.355 1.661 20 0 CDADMM CCc1nc([C@H](C)NC[C@@](C)(O)C(=O)[O-])cs1 ZINC001610070921 1165202803 /nfs/dbraw/zinc/20/28/03/1165202803.db2.gz GXFQBLBOFQADRO-WRWORJQWSA-N -1 1 258.343 1.192 20 0 CDADMM Cc1nc([C@H](C)Nc2nc(C)cc(C(=O)[O-])n2)n[nH]1 ZINC001610445260 1165318847 /nfs/dbraw/zinc/31/88/47/1165318847.db2.gz NJLLKTKHKGDFDC-LURJTMIESA-N -1 1 262.273 1.083 20 0 CDADMM Cc1coc(CC(=O)[O-])c1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC001610542882 1165349411 /nfs/dbraw/zinc/34/94/11/1165349411.db2.gz KWTKVNZSJVEOLO-SNVBAGLBSA-N -1 1 292.335 1.182 20 0 CDADMM O=C([O-])c1ccccc1CCN1CCN2C(=O)CC[C@H]2C1 ZINC001610851989 1165462456 /nfs/dbraw/zinc/46/24/56/1165462456.db2.gz MZIGZNHNDFROLV-ZDUSSCGKSA-N -1 1 288.347 1.234 20 0 CDADMM C[S@](=O)c1ccc(C(=O)Nc2c[n-][nH]c2=O)cc1 ZINC001611379845 1165491390 /nfs/dbraw/zinc/49/13/90/1165491390.db2.gz KMFNGKSHVKDJBQ-SFHVURJKSA-N -1 1 265.294 1.105 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC001611379389 1165491591 /nfs/dbraw/zinc/49/15/91/1165491591.db2.gz GFQFZNANBBJJHS-VHSXEESVSA-N -1 1 259.265 1.563 20 0 CDADMM Cc1nnc([C@@H](C)NC(=O)c2ccc([O-])cc2F)o1 ZINC001623040298 1165745380 /nfs/dbraw/zinc/74/53/80/1165745380.db2.gz OVVCFWDPVLGTMG-ZCFIWIBFSA-N -1 1 265.244 1.714 20 0 CDADMM Cc1cc(Br)oc1C(=O)OCc1nn[n-]n1 ZINC001649230332 1166186236 /nfs/dbraw/zinc/18/62/36/1166186236.db2.gz WHPVBRWPFKVLLV-UHFFFAOYSA-N -1 1 287.073 1.221 20 0 CDADMM CN(Cc1nnc[nH]1)C(=O)c1ccc(Cl)c([O-])c1 ZINC001635164320 1166564333 /nfs/dbraw/zinc/56/43/33/1166564333.db2.gz UEXGWPSTMYPDPI-UHFFFAOYSA-N -1 1 266.688 1.436 20 0 CDADMM NC(=O)c1ccc(Oc2ncccc2-c2nn[n-]n2)cc1 ZINC000095220242 1166608925 /nfs/dbraw/zinc/60/89/25/1166608925.db2.gz URTMSQYKMOWEPG-UHFFFAOYSA-N -1 1 282.263 1.153 20 0 CDADMM C[C@H]1CCc2[nH]nc(C(=O)Nc3c[n-][nH]c3=O)c2C1 ZINC001638740190 1166870204 /nfs/dbraw/zinc/87/02/04/1166870204.db2.gz DANPXCWDFQKECY-LURJTMIESA-N -1 1 261.285 1.216 20 0 CDADMM O=C(CCCc1nn[n-]n1)Nc1ccc(O)c(Cl)c1 ZINC001151582762 1167083453 /nfs/dbraw/zinc/08/34/53/1167083453.db2.gz MOXXKELNWALKPF-UHFFFAOYSA-N -1 1 281.703 1.520 20 0 CDADMM COc1cc(NC(=O)c2ccc([O-])cc2F)[nH]n1 ZINC001645500314 1167407569 /nfs/dbraw/zinc/40/75/69/1167407569.db2.gz XWMHFOKZAQAIED-UHFFFAOYSA-N -1 1 251.217 1.515 20 0 CDADMM Cn1cc(CN2CCS[C@@H]3CCCC[C@H]32)c(C(=O)[O-])n1 ZINC001646226297 1167707130 /nfs/dbraw/zinc/70/71/30/1167707130.db2.gz CXQZOMMCBJDZPM-VXGBXAGGSA-N -1 1 295.408 1.978 20 0 CDADMM O=C([O-])Cn1cc(CCN(Cc2ccoc2)C2CC2)nn1 ZINC001646495630 1167879085 /nfs/dbraw/zinc/87/90/85/1167879085.db2.gz BIFDLALATZTGLL-UHFFFAOYSA-N -1 1 290.323 1.163 20 0 CDADMM Cc1sc(C(=O)[O-])cc1CN(C)CCNC(=O)N(C)C ZINC001608059369 1167920738 /nfs/dbraw/zinc/92/07/38/1167920738.db2.gz DHHBACAMRPXBQX-UHFFFAOYSA-N -1 1 299.396 1.458 20 0 CDADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1cocn1 ZINC001565779777 1168169491 /nfs/dbraw/zinc/16/94/91/1168169491.db2.gz QQPXYJLCKAGQBV-UHFFFAOYSA-N -1 1 286.251 1.019 20 0 CDADMM O=C(c1ccc([O-])cn1)N1CC(c2nc3ccccc3[nH]2)C1 ZINC001566365858 1168262555 /nfs/dbraw/zinc/26/25/55/1168262555.db2.gz QQSNDXGXTLPFAB-UHFFFAOYSA-N -1 1 294.314 1.903 20 0 CDADMM CCN(Cc1nc(C(=O)[O-])cs1)C[C@@H]1CCOC1 ZINC001647253526 1168493323 /nfs/dbraw/zinc/49/33/23/1168493323.db2.gz KMJDSOYLYREBMF-VIFPVBQESA-N -1 1 270.354 1.700 20 0 CDADMM Cc1ccccc1[C@H](N)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001647327550 1168562572 /nfs/dbraw/zinc/56/25/72/1168562572.db2.gz NMRHHJHOGRJPII-UBHSHLNASA-N -1 1 290.363 1.564 20 0 CDADMM CN(C)[C@H](CNC(=O)NC1(C(=O)[O-])CC1)c1cccs1 ZINC001647423617 1168676770 /nfs/dbraw/zinc/67/67/70/1168676770.db2.gz ZDRDUWOAWMDYJS-SECBINFHSA-N -1 1 297.380 1.267 20 0 CDADMM CC[C@@H]1[C@H](C)CCN1c1nnc(Cc2nnn[n-]2)n1CC ZINC001647704730 1169031304 /nfs/dbraw/zinc/03/13/04/1169031304.db2.gz IMCIUWRELNTFFI-NXEZZACHSA-N -1 1 290.375 1.027 20 0 CDADMM CC[C@@H]1[C@H](C)CCN1c1nnc(Cc2nn[n-]n2)n1CC ZINC001647704730 1169031311 /nfs/dbraw/zinc/03/13/11/1169031311.db2.gz IMCIUWRELNTFFI-NXEZZACHSA-N -1 1 290.375 1.027 20 0 CDADMM COc1cnc(C(=O)[N-]c2nc(-c3ccccc3)no2)nc1 ZINC001648511468 1169134104 /nfs/dbraw/zinc/13/41/04/1169134104.db2.gz BTHCNWLUNQYHEU-UHFFFAOYSA-N -1 1 297.274 1.788 20 0 CDADMM O=C(COC(=O)c1cscn1)c1ccc([O-])cc1O ZINC001649696122 1169291417 /nfs/dbraw/zinc/29/14/17/1169291417.db2.gz AHXKLGZAUIENFY-UHFFFAOYSA-N -1 1 279.273 1.594 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCCOC1 ZINC001568852230 1169517986 /nfs/dbraw/zinc/51/79/86/1169517986.db2.gz DRWFONIVVWKLGF-UHFFFAOYSA-N -1 1 265.313 1.434 20 0 CDADMM CC(C)C[C@H](C)N(C)C(=O)CN[C@@H](CC1CC1)C(=O)[O-] ZINC001573503349 1170675634 /nfs/dbraw/zinc/67/56/34/1170675634.db2.gz ZUMDNDRRGLKNCI-AAEUAGOBSA-N -1 1 284.400 1.722 20 0 CDADMM COC(=O)c1ccc(CN2CC([C@@H](C)C(=O)[O-])C2)nc1 ZINC001573940714 1170834945 /nfs/dbraw/zinc/83/49/45/1170834945.db2.gz MPWVKVLBXSOJIX-SECBINFHSA-N -1 1 278.308 1.021 20 0 CDADMM CO[C@@H]1CCC[N@@H+](Cc2cnc3c(C(=O)[O-])cnn3c2)C1 ZINC001573956433 1170840370 /nfs/dbraw/zinc/84/03/70/1170840370.db2.gz CJJUFTZDCNOPCJ-LLVKDONJSA-N -1 1 290.323 1.038 20 0 CDADMM CO[C@@H]1CCCN(Cc2cnc3c(C(=O)[O-])cnn3c2)C1 ZINC001573956433 1170840380 /nfs/dbraw/zinc/84/03/80/1170840380.db2.gz CJJUFTZDCNOPCJ-LLVKDONJSA-N -1 1 290.323 1.038 20 0 CDADMM CN1CCN(C(=O)c2ccc(C(=O)[O-])[nH]2)C[C@H]1C(C)(C)C ZINC001574564015 1170993205 /nfs/dbraw/zinc/99/32/05/1170993205.db2.gz DWNGOXUCJWZXAS-LBPRGKRZSA-N -1 1 293.367 1.515 20 0 CDADMM O=C([O-])c1cc(CNCc2cn3ccccc3n2)c[nH]1 ZINC001574945145 1171056560 /nfs/dbraw/zinc/05/65/60/1171056560.db2.gz GBRWAAJOTKUBDB-UHFFFAOYSA-N -1 1 270.292 1.650 20 0 CDADMM C[C@@H](O)[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ccccc1 ZINC001575475156 1171180239 /nfs/dbraw/zinc/18/02/39/1171180239.db2.gz UDQJIATZOPQHDD-NOZJJQNGSA-N -1 1 297.322 1.191 20 0 CDADMM C[C@@H](O)[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ccccc1 ZINC001575475156 1171180247 /nfs/dbraw/zinc/18/02/47/1171180247.db2.gz UDQJIATZOPQHDD-NOZJJQNGSA-N -1 1 297.322 1.191 20 0 CDADMM CN(Cc1ccc(F)cc1)c1cncc(-c2nnn[n-]2)n1 ZINC001579252493 1172126430 /nfs/dbraw/zinc/12/64/30/1172126430.db2.gz SGNZTYADJPWWRV-UHFFFAOYSA-N -1 1 285.286 1.432 20 0 CDADMM CN(Cc1ccc(F)cc1)c1cncc(-c2nn[n-]n2)n1 ZINC001579252493 1172126432 /nfs/dbraw/zinc/12/64/32/1172126432.db2.gz SGNZTYADJPWWRV-UHFFFAOYSA-N -1 1 285.286 1.432 20 0 CDADMM O=C(c1csc(-c2nn[n-]n2)c1)N1Cc2ccncc2C1 ZINC001582745295 1172690473 /nfs/dbraw/zinc/69/04/73/1172690473.db2.gz XXKSZKOOIIHWFS-UHFFFAOYSA-N -1 1 298.331 1.479 20 0 CDADMM CN(C(=O)c1cc2sccc2c(O)c1)c1nn[n-]n1 ZINC001585910945 1172921901 /nfs/dbraw/zinc/92/19/01/1172921901.db2.gz QZNJEKCQODSFLX-UHFFFAOYSA-N -1 1 275.293 1.397 20 0 CDADMM Cc1ccc(-c2cc(C(=O)N(C)c3nn[n-]n3)on2)cc1 ZINC001587339835 1172982209 /nfs/dbraw/zinc/98/22/09/1172982209.db2.gz RPXJEYUTXFAFAY-UHFFFAOYSA-N -1 1 284.279 1.440 20 0 CDADMM CC(=O)[C@@H]1CCCCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001588888463 1173110752 /nfs/dbraw/zinc/11/07/52/1173110752.db2.gz SVFMNQLRUAPNJR-JTQLQIEISA-N -1 1 289.295 1.043 20 0 CDADMM CC(=O)[C@@H]1CCCCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001588888463 1173110757 /nfs/dbraw/zinc/11/07/57/1173110757.db2.gz SVFMNQLRUAPNJR-JTQLQIEISA-N -1 1 289.295 1.043 20 0 CDADMM C[C@H](C(=O)Nc1ncc(-c2nnn[n-]2)s1)C1CCC1 ZINC001589025129 1173120490 /nfs/dbraw/zinc/12/04/90/1173120490.db2.gz LDXYQAMPKKCFSF-LURJTMIESA-N -1 1 278.341 1.698 20 0 CDADMM C[C@H](C(=O)Nc1ncc(-c2nn[n-]n2)s1)C1CCC1 ZINC001589025129 1173120493 /nfs/dbraw/zinc/12/04/93/1173120493.db2.gz LDXYQAMPKKCFSF-LURJTMIESA-N -1 1 278.341 1.698 20 0 CDADMM CC(C)(/C=C/Cl)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589264554 1173131670 /nfs/dbraw/zinc/13/16/70/1173131670.db2.gz XKDUAJSLMBYVFD-AATRIKPKSA-N -1 1 281.703 1.721 20 0 CDADMM CC(C)=CCCNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589376521 1173139103 /nfs/dbraw/zinc/13/91/03/1173139103.db2.gz JHNSRYHIKSMWQM-UHFFFAOYSA-N -1 1 287.327 1.740 20 0 CDADMM CC(C)=CCCNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589376521 1173139106 /nfs/dbraw/zinc/13/91/06/1173139106.db2.gz JHNSRYHIKSMWQM-UHFFFAOYSA-N -1 1 287.327 1.740 20 0 CDADMM CC(C)(O)CCCCOC(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001589333359 1173139687 /nfs/dbraw/zinc/13/96/87/1173139687.db2.gz UZHFTTNMPQGIAO-UHFFFAOYSA-N -1 1 294.311 1.558 20 0 CDADMM CC(C)(O)CCCCOC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589333359 1173139689 /nfs/dbraw/zinc/13/96/89/1173139689.db2.gz UZHFTTNMPQGIAO-UHFFFAOYSA-N -1 1 294.311 1.558 20 0 CDADMM CC(C)[C@H]1C[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001589502692 1173150294 /nfs/dbraw/zinc/15/02/94/1173150294.db2.gz PWBZBIMWZSDVAW-MNOVXSKESA-N -1 1 287.323 1.597 20 0 CDADMM CC(C)[C@H]1C[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001589502692 1173150299 /nfs/dbraw/zinc/15/02/99/1173150299.db2.gz PWBZBIMWZSDVAW-MNOVXSKESA-N -1 1 287.323 1.597 20 0 CDADMM CC(C)[C@@H]1C[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001589502695 1173150426 /nfs/dbraw/zinc/15/04/26/1173150426.db2.gz PWBZBIMWZSDVAW-WDEREUQCSA-N -1 1 287.323 1.597 20 0 CDADMM CC(C)[C@@H]1C[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001589502695 1173150432 /nfs/dbraw/zinc/15/04/32/1173150432.db2.gz PWBZBIMWZSDVAW-WDEREUQCSA-N -1 1 287.323 1.597 20 0 CDADMM CC(C)[C@@H]1CCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001589508938 1173154086 /nfs/dbraw/zinc/15/40/86/1173154086.db2.gz LIUWENUGMXCAQK-SECBINFHSA-N -1 1 259.317 1.139 20 0 CDADMM CC(C)C[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001589572757 1173159438 /nfs/dbraw/zinc/15/94/38/1173159438.db2.gz RAASWESTRIGJTG-LLVKDONJSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)C[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001589572757 1173159440 /nfs/dbraw/zinc/15/94/40/1173159440.db2.gz RAASWESTRIGJTG-LLVKDONJSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)C[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589571741 1173161171 /nfs/dbraw/zinc/16/11/71/1173161171.db2.gz FXOAXNBYVJJBPW-NSHDSACASA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)OC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001589738977 1173170732 /nfs/dbraw/zinc/17/07/32/1173170732.db2.gz BBZPNDSKHBOOBM-UHFFFAOYSA-N -1 1 279.369 1.537 20 0 CDADMM CC(C)c1cc(CNc2cncc(-c3nnn[n-]3)n2)on1 ZINC001589767090 1173175948 /nfs/dbraw/zinc/17/59/48/1173175948.db2.gz NGYNNKUZGULLGS-UHFFFAOYSA-N -1 1 286.299 1.380 20 0 CDADMM CC(C)c1cc(CNc2cncc(-c3nn[n-]n3)n2)on1 ZINC001589767090 1173175953 /nfs/dbraw/zinc/17/59/53/1173175953.db2.gz NGYNNKUZGULLGS-UHFFFAOYSA-N -1 1 286.299 1.380 20 0 CDADMM CC(C)n1nccc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589785541 1173178042 /nfs/dbraw/zinc/17/80/42/1173178042.db2.gz JRPMQERDFZAQBS-UHFFFAOYSA-N -1 1 287.283 1.489 20 0 CDADMM CC(C)n1nccc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589785541 1173178046 /nfs/dbraw/zinc/17/80/46/1173178046.db2.gz JRPMQERDFZAQBS-UHFFFAOYSA-N -1 1 287.283 1.489 20 0 CDADMM C[C@@H](CN(C)c1cc(-c2nnn[n-]2)ncn1)c1ccccc1 ZINC001589845601 1173189396 /nfs/dbraw/zinc/18/93/96/1173189396.db2.gz QQRMNCLFNLENJF-NSHDSACASA-N -1 1 295.350 1.897 20 0 CDADMM C[C@@H](CN(C)c1cc(-c2nn[n-]n2)ncn1)c1ccccc1 ZINC001589845601 1173189407 /nfs/dbraw/zinc/18/94/07/1173189407.db2.gz QQRMNCLFNLENJF-NSHDSACASA-N -1 1 295.350 1.897 20 0 CDADMM C[C@H](COCc1ccccc1)Cn1cnc(-c2nn[n-]n2)n1 ZINC001589885632 1173195070 /nfs/dbraw/zinc/19/50/70/1173195070.db2.gz NZRYJVBBWOGZGJ-NSHDSACASA-N -1 1 299.338 1.311 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)[C@@H]1CCCOC1 ZINC001589944887 1173206022 /nfs/dbraw/zinc/20/60/22/1173206022.db2.gz YMBZFYNWBOBCEI-DTWKUNHWSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)[C@@H]1CCCOC1 ZINC001589944887 1173206026 /nfs/dbraw/zinc/20/60/26/1173206026.db2.gz YMBZFYNWBOBCEI-DTWKUNHWSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCC(F)CC1 ZINC001589986152 1173221446 /nfs/dbraw/zinc/22/14/46/1173221446.db2.gz YUGOJMOXINIEMQ-IDKOKCKLSA-N -1 1 291.334 1.407 20 0 CDADMM C[C@@H](O)C[C@H](C)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589998749 1173229739 /nfs/dbraw/zinc/22/97/39/1173229739.db2.gz RSVJATNBZKXPPS-JGVFFNPUSA-N -1 1 289.343 1.105 20 0 CDADMM C[C@@H](O)C[C@H](C)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589998749 1173229741 /nfs/dbraw/zinc/22/97/41/1173229741.db2.gz RSVJATNBZKXPPS-JGVFFNPUSA-N -1 1 289.343 1.105 20 0 CDADMM C[C@]1(C(F)(F)F)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001590072225 1173246589 /nfs/dbraw/zinc/24/65/89/1173246589.db2.gz FCVLBCCUBDPWNU-JTQLQIEISA-N -1 1 299.260 1.435 20 0 CDADMM C[C@]1(C(F)(F)F)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001590072225 1173246593 /nfs/dbraw/zinc/24/65/93/1173246593.db2.gz FCVLBCCUBDPWNU-JTQLQIEISA-N -1 1 299.260 1.435 20 0 CDADMM CC1(C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1(F)F ZINC001590077749 1173247252 /nfs/dbraw/zinc/24/72/52/1173247252.db2.gz ZBNLWQWIFVOCFW-SSDOTTSWSA-N -1 1 281.270 1.360 20 0 CDADMM CC1(C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1(F)F ZINC001590077749 1173247259 /nfs/dbraw/zinc/24/72/59/1173247259.db2.gz ZBNLWQWIFVOCFW-SSDOTTSWSA-N -1 1 281.270 1.360 20 0 CDADMM CC1(C)CC[C@H]1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590092318 1173253752 /nfs/dbraw/zinc/25/37/52/1173253752.db2.gz GQSDYQUFBHWMGO-SECBINFHSA-N -1 1 261.285 1.378 20 0 CDADMM C[C@@H]1CCC[C@@H](C)N1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590243504 1173315077 /nfs/dbraw/zinc/31/50/77/1173315077.db2.gz LTEUSKVKOCGVCG-RKDXNWHRSA-N -1 1 290.327 1.367 20 0 CDADMM C[C@H]1CCC[C@@H]1CC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590248500 1173318007 /nfs/dbraw/zinc/31/80/07/1173318007.db2.gz OOHAXXQCDBMJPH-JGVFFNPUSA-N -1 1 275.316 1.355 20 0 CDADMM C[C@H]1CCC[C@@H]1CC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590248500 1173318014 /nfs/dbraw/zinc/31/80/14/1173318014.db2.gz OOHAXXQCDBMJPH-JGVFFNPUSA-N -1 1 275.316 1.355 20 0 CDADMM C[C@@H]1CCCCN1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590256406 1173322505 /nfs/dbraw/zinc/32/25/05/1173322505.db2.gz CNVZHHIJGVZTBF-MRVPVSSYSA-N -1 1 292.368 1.447 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001590270568 1173330928 /nfs/dbraw/zinc/33/09/28/1173330928.db2.gz ZTZWLIFOWLQNHH-SSDOTTSWSA-N -1 1 263.326 1.410 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001590270568 1173330934 /nfs/dbraw/zinc/33/09/34/1173330934.db2.gz ZTZWLIFOWLQNHH-SSDOTTSWSA-N -1 1 263.326 1.410 20 0 CDADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)[C@H]2CCCC[C@H]12 ZINC001590316647 1173351145 /nfs/dbraw/zinc/35/11/45/1173351145.db2.gz PBZWGGQJBYIZFL-FOGDFJRCSA-N -1 1 285.355 1.672 20 0 CDADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)[C@H]2CCCC[C@H]12 ZINC001590316647 1173351153 /nfs/dbraw/zinc/35/11/53/1173351153.db2.gz PBZWGGQJBYIZFL-FOGDFJRCSA-N -1 1 285.355 1.672 20 0 CDADMM C[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)c2ccccc21 ZINC001590317448 1173354822 /nfs/dbraw/zinc/35/48/22/1173354822.db2.gz ZKZVPTMNDZSEHL-VIFPVBQESA-N -1 1 279.307 1.912 20 0 CDADMM C[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)c2ccccc21 ZINC001590317448 1173354828 /nfs/dbraw/zinc/35/48/28/1173354828.db2.gz ZKZVPTMNDZSEHL-VIFPVBQESA-N -1 1 279.307 1.912 20 0 CDADMM CCC(=O)CCCOC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001590360026 1173374464 /nfs/dbraw/zinc/37/44/64/1173374464.db2.gz QCQVSQICAIXUFL-UHFFFAOYSA-N -1 1 294.336 1.844 20 0 CDADMM CCC(=O)CCCOC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590360026 1173374472 /nfs/dbraw/zinc/37/44/72/1173374472.db2.gz QCQVSQICAIXUFL-UHFFFAOYSA-N -1 1 294.336 1.844 20 0 CDADMM CC[C@@H](C)Cc1noc(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001590410875 1173395386 /nfs/dbraw/zinc/39/53/86/1173395386.db2.gz VAKHXUGPEXOZGB-MRVPVSSYSA-N -1 1 285.311 1.900 20 0 CDADMM CC[C@@H](C)Cc1noc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001590410875 1173395391 /nfs/dbraw/zinc/39/53/91/1173395391.db2.gz VAKHXUGPEXOZGB-MRVPVSSYSA-N -1 1 285.311 1.900 20 0 CDADMM CC[C@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001590457396 1173416079 /nfs/dbraw/zinc/41/60/79/1173416079.db2.gz PZDHKFZIMOCWRI-JTQLQIEISA-N -1 1 287.327 1.572 20 0 CDADMM CC[C@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001590457396 1173416083 /nfs/dbraw/zinc/41/60/83/1173416083.db2.gz PZDHKFZIMOCWRI-JTQLQIEISA-N -1 1 287.327 1.572 20 0 CDADMM CC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCOC1 ZINC001590472790 1173425728 /nfs/dbraw/zinc/42/57/28/1173425728.db2.gz HLPGDFZORYCJIP-NXEZZACHSA-N -1 1 289.343 1.274 20 0 CDADMM CC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCOC1 ZINC001590472790 1173425735 /nfs/dbraw/zinc/42/57/35/1173425735.db2.gz HLPGDFZORYCJIP-NXEZZACHSA-N -1 1 289.343 1.274 20 0 CDADMM CC[C@@H]1CC[C@@H](C(=O)OCc2ccc(-c3nnn[n-]3)o2)O1 ZINC001590504145 1173439954 /nfs/dbraw/zinc/43/99/54/1173439954.db2.gz CBCDIMGRTJSUIF-KCJUWKMLSA-N -1 1 292.295 1.461 20 0 CDADMM CC[C@@H]1CC[C@@H](C(=O)OCc2ccc(-c3nn[n-]n3)o2)O1 ZINC001590504145 1173439960 /nfs/dbraw/zinc/43/99/60/1173439960.db2.gz CBCDIMGRTJSUIF-KCJUWKMLSA-N -1 1 292.295 1.461 20 0 CDADMM CCN(CC1CCC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001590691505 1173492270 /nfs/dbraw/zinc/49/22/70/1173492270.db2.gz QPWWBPBSHMHIQH-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CCN(CC1CCC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001590691505 1173492281 /nfs/dbraw/zinc/49/22/81/1173492281.db2.gz QPWWBPBSHMHIQH-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CCN(CCSC)c1cccnc1-c1nnn[n-]1 ZINC001590719080 1173500353 /nfs/dbraw/zinc/50/03/53/1173500353.db2.gz YRSXQUJOCSJKQX-UHFFFAOYSA-N -1 1 264.358 1.451 20 0 CDADMM CCN(CCSC)c1cccnc1-c1nn[n-]n1 ZINC001590719080 1173500357 /nfs/dbraw/zinc/50/03/57/1173500357.db2.gz YRSXQUJOCSJKQX-UHFFFAOYSA-N -1 1 264.358 1.451 20 0 CDADMM CCNc1cc(CNc2cc(-c3nnn[n-]3)ncn2)ccn1 ZINC001590746044 1173505533 /nfs/dbraw/zinc/50/55/33/1173505533.db2.gz GFSOGIYZATVPQA-UHFFFAOYSA-N -1 1 297.326 1.096 20 0 CDADMM CCNc1cc(CNc2cc(-c3nn[n-]n3)ncn2)ccn1 ZINC001590746044 1173505537 /nfs/dbraw/zinc/50/55/37/1173505537.db2.gz GFSOGIYZATVPQA-UHFFFAOYSA-N -1 1 297.326 1.096 20 0 CDADMM CCSCC[C@@H](C)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590853593 1173527307 /nfs/dbraw/zinc/52/73/07/1173527307.db2.gz REVHMCFHYNYEJE-MRVPVSSYSA-N -1 1 295.368 1.721 20 0 CDADMM CCSCC[C@@H](C)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590853593 1173527313 /nfs/dbraw/zinc/52/73/13/1173527313.db2.gz REVHMCFHYNYEJE-MRVPVSSYSA-N -1 1 295.368 1.721 20 0 CDADMM CCc1ccccc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590896630 1173537098 /nfs/dbraw/zinc/53/70/98/1173537098.db2.gz PAIRCUHSYMNUHA-UHFFFAOYSA-N -1 1 283.295 1.405 20 0 CDADMM CCc1ccccc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590896630 1173537102 /nfs/dbraw/zinc/53/71/02/1173537102.db2.gz PAIRCUHSYMNUHA-UHFFFAOYSA-N -1 1 283.295 1.405 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC(F)(F)C2)n1 ZINC001590905818 1173539353 /nfs/dbraw/zinc/53/93/53/1173539353.db2.gz OCSJVQNCFRIOAM-UHFFFAOYSA-N -1 1 281.270 1.065 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC(F)(F)C2)n1 ZINC001590905818 1173539356 /nfs/dbraw/zinc/53/93/56/1173539356.db2.gz OCSJVQNCFRIOAM-UHFFFAOYSA-N -1 1 281.270 1.065 20 0 CDADMM CN(C(=O)C1CC2(CC2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590976884 1173554895 /nfs/dbraw/zinc/55/48/95/1173554895.db2.gz FPMRASRTASMHHL-UHFFFAOYSA-N -1 1 284.323 1.415 20 0 CDADMM CN(C(=O)C1CC2(CC2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590976884 1173554899 /nfs/dbraw/zinc/55/48/99/1173554899.db2.gz FPMRASRTASMHHL-UHFFFAOYSA-N -1 1 284.323 1.415 20 0 CDADMM CN(C)c1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)cn1 ZINC001591033090 1173563367 /nfs/dbraw/zinc/56/33/67/1173563367.db2.gz CGWVLQIVOGPWLR-UHFFFAOYSA-N -1 1 299.294 1.173 20 0 CDADMM CN(C)c1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)cn1 ZINC001591033090 1173563371 /nfs/dbraw/zinc/56/33/71/1173563371.db2.gz CGWVLQIVOGPWLR-UHFFFAOYSA-N -1 1 299.294 1.173 20 0 CDADMM COC(=O)[C@@H]1CC[C@H](Nc2cccnc2-c2nnn[n-]2)C1 ZINC001591278683 1173599557 /nfs/dbraw/zinc/59/95/57/1173599557.db2.gz CRHVLZAZJBXHEL-BDAKNGLRSA-N -1 1 288.311 1.015 20 0 CDADMM COC(=O)[C@@H]1CC[C@H](Nc2cccnc2-c2nn[n-]n2)C1 ZINC001591278683 1173599561 /nfs/dbraw/zinc/59/95/61/1173599561.db2.gz CRHVLZAZJBXHEL-BDAKNGLRSA-N -1 1 288.311 1.015 20 0 CDADMM CO[C@@H]([C@@H](C)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001591326456 1173612080 /nfs/dbraw/zinc/61/20/80/1173612080.db2.gz LLDIIGMYULHNOW-PELKAZGASA-N -1 1 274.328 1.487 20 0 CDADMM CO[C@@H]([C@@H](C)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001591326456 1173612085 /nfs/dbraw/zinc/61/20/85/1173612085.db2.gz LLDIIGMYULHNOW-PELKAZGASA-N -1 1 274.328 1.487 20 0 CDADMM CO[C@H](COC(=O)c1coc(-c2nnn[n-]2)c1)CC(C)C ZINC001591336722 1173616903 /nfs/dbraw/zinc/61/69/03/1173616903.db2.gz ZIXCYIYVHVVNRO-JTQLQIEISA-N -1 1 294.311 1.678 20 0 CDADMM CO[C@H](COC(=O)c1coc(-c2nn[n-]n2)c1)CC(C)C ZINC001591336722 1173616908 /nfs/dbraw/zinc/61/69/08/1173616908.db2.gz ZIXCYIYVHVVNRO-JTQLQIEISA-N -1 1 294.311 1.678 20 0 CDADMM CO[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCC2 ZINC001591350260 1173621773 /nfs/dbraw/zinc/62/17/73/1173621773.db2.gz QJZJICGBCXCDEL-VHSXEESVSA-N -1 1 287.327 1.026 20 0 CDADMM CO[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCC2 ZINC001591350260 1173621775 /nfs/dbraw/zinc/62/17/75/1173621775.db2.gz QJZJICGBCXCDEL-VHSXEESVSA-N -1 1 287.327 1.026 20 0 CDADMM CO[C@@H]1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001591349997 1173623378 /nfs/dbraw/zinc/62/33/78/1173623378.db2.gz CKSHZEMQMBFUMP-JGVFFNPUSA-N -1 1 280.357 1.611 20 0 CDADMM CO[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)CC[C@H]1C ZINC001591358990 1173627929 /nfs/dbraw/zinc/62/79/29/1173627929.db2.gz BPKFIFVPWFTOLW-VXNVDRBHSA-N -1 1 294.384 1.493 20 0 CDADMM CO[C@H]1CN(c2ccc(C)nc2-c2nnn[n-]2)CC[C@@H]1C ZINC001591359626 1173629475 /nfs/dbraw/zinc/62/94/75/1173629475.db2.gz DVOUUQAAMWGTKP-CABZTGNLSA-N -1 1 288.355 1.431 20 0 CDADMM CO[C@H]1CN(c2ccc(C)nc2-c2nn[n-]n2)CC[C@@H]1C ZINC001591359626 1173629478 /nfs/dbraw/zinc/62/94/78/1173629478.db2.gz DVOUUQAAMWGTKP-CABZTGNLSA-N -1 1 288.355 1.431 20 0 CDADMM COCCC(=O)CSc1cccc(F)c1-c1nn[n-]n1 ZINC001591394912 1173643996 /nfs/dbraw/zinc/64/39/96/1173643996.db2.gz DLWMSCVPWMYHFV-UHFFFAOYSA-N -1 1 296.327 1.704 20 0 CDADMM COc1cccnc1CNc1cccc(-c2nnn[n-]2)n1 ZINC001591654903 1173676096 /nfs/dbraw/zinc/67/60/96/1173676096.db2.gz CWRLIFVMZVGGCV-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM COc1cccnc1CNc1cccc(-c2nn[n-]n2)n1 ZINC001591654903 1173676100 /nfs/dbraw/zinc/67/61/00/1173676100.db2.gz CWRLIFVMZVGGCV-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM COc1cccc(C)c1CNc1n[nH]c(C)c1-c1nnn[n-]1 ZINC001591637676 1173676568 /nfs/dbraw/zinc/67/65/68/1173676568.db2.gz UJNYVBNPMFGBNB-UHFFFAOYSA-N -1 1 299.338 1.827 20 0 CDADMM COc1cccc(C)c1CNc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001591637676 1173676576 /nfs/dbraw/zinc/67/65/76/1173676576.db2.gz UJNYVBNPMFGBNB-UHFFFAOYSA-N -1 1 299.338 1.827 20 0 CDADMM CSC(C)(C)CNc1cc(-c2nnn[n-]2)ncn1 ZINC001591685240 1173678413 /nfs/dbraw/zinc/67/84/13/1173678413.db2.gz XEGQFMDJZNOEOJ-UHFFFAOYSA-N -1 1 265.346 1.210 20 0 CDADMM CSC(C)(C)CNc1cc(-c2nn[n-]n2)ncn1 ZINC001591685240 1173678415 /nfs/dbraw/zinc/67/84/15/1173678415.db2.gz XEGQFMDJZNOEOJ-UHFFFAOYSA-N -1 1 265.346 1.210 20 0 CDADMM COc1cncc(CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC001591659179 1173678737 /nfs/dbraw/zinc/67/87/37/1173678737.db2.gz SWTLTNYHZXBGLH-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM COc1cncc(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC001591659179 1173678743 /nfs/dbraw/zinc/67/87/43/1173678743.db2.gz SWTLTNYHZXBGLH-UHFFFAOYSA-N -1 1 283.295 1.277 20 0 CDADMM C[C@@H]1CC=CC[C@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591732585 1173693842 /nfs/dbraw/zinc/69/38/42/1173693842.db2.gz VGXYVAWHAIJMIL-MWLCHTKSSA-N -1 1 256.313 1.450 20 0 CDADMM C[C@@H]1CC=CC[C@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591732585 1173693845 /nfs/dbraw/zinc/69/38/45/1173693845.db2.gz VGXYVAWHAIJMIL-MWLCHTKSSA-N -1 1 256.313 1.450 20 0 CDADMM C[C@H]1c2ccccc2C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001591776166 1173698600 /nfs/dbraw/zinc/69/86/00/1173698600.db2.gz NFEREJQITRXEHE-JOYOIKCWSA-N -1 1 293.334 1.797 20 0 CDADMM C[C@H]1c2ccccc2C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001591776166 1173698604 /nfs/dbraw/zinc/69/86/04/1173698604.db2.gz NFEREJQITRXEHE-JOYOIKCWSA-N -1 1 293.334 1.797 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](C3CCC3)C2)n1 ZINC001591884843 1173738500 /nfs/dbraw/zinc/73/85/00/1173738500.db2.gz CXQCLFLNHLXDSE-LLVKDONJSA-N -1 1 285.355 1.592 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](C3CCC3)C2)n1 ZINC001591884843 1173738503 /nfs/dbraw/zinc/73/85/03/1173738503.db2.gz CXQCLFLNHLXDSE-LLVKDONJSA-N -1 1 285.355 1.592 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)c2cc[nH]c(=O)c2)n1 ZINC001591891266 1173740897 /nfs/dbraw/zinc/74/08/97/1173740897.db2.gz RHLLMRGJRHZPRO-MRVPVSSYSA-N -1 1 298.310 1.239 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)c2cc[nH]c(=O)c2)n1 ZINC001591891266 1173740901 /nfs/dbraw/zinc/74/09/01/1173740901.db2.gz RHLLMRGJRHZPRO-MRVPVSSYSA-N -1 1 298.310 1.239 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](O)CC(C)(C)C)n1 ZINC001591894506 1173742429 /nfs/dbraw/zinc/74/24/29/1173742429.db2.gz JGEJMQVSOOONQX-VIFPVBQESA-N -1 1 291.359 1.174 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](O)CC(C)(C)C)n1 ZINC001591894506 1173742432 /nfs/dbraw/zinc/74/24/32/1173742432.db2.gz JGEJMQVSOOONQX-VIFPVBQESA-N -1 1 291.359 1.174 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCC23CC3)n1 ZINC001591892745 1173742624 /nfs/dbraw/zinc/74/26/24/1173742624.db2.gz LBUGVUQZFXECGB-JTQLQIEISA-N -1 1 271.328 1.710 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2C[C@H]2C(C)C)n1 ZINC001591902401 1173745607 /nfs/dbraw/zinc/74/56/07/1173745607.db2.gz YLVFLLOWHHCIQH-DTWKUNHWSA-N -1 1 259.317 1.422 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2C[C@H]2C(C)C)n1 ZINC001591902401 1173745610 /nfs/dbraw/zinc/74/56/10/1173745610.db2.gz YLVFLLOWHHCIQH-DTWKUNHWSA-N -1 1 259.317 1.422 20 0 CDADMM Cc1cc(N[C@@H]2C[C@H](O)C23CCC3)nc(-c2nnn[n-]2)c1 ZINC001592036176 1173778896 /nfs/dbraw/zinc/77/88/96/1173778896.db2.gz GKVRFUYWNUVDIS-MNOVXSKESA-N -1 1 286.339 1.286 20 0 CDADMM Cc1cc(N[C@@H]2C[C@H](O)C23CCC3)nc(-c2nn[n-]n2)c1 ZINC001592036176 1173778904 /nfs/dbraw/zinc/77/89/04/1173778904.db2.gz GKVRFUYWNUVDIS-MNOVXSKESA-N -1 1 286.339 1.286 20 0 CDADMM Cc1cc(NC[C@@H]2CCC[C@H](C)O2)cc(-c2nnn[n-]2)n1 ZINC001592043177 1173783396 /nfs/dbraw/zinc/78/33/96/1173783396.db2.gz CNUSEMHYKGHDEB-JQWIXIFHSA-N -1 1 288.355 1.940 20 0 CDADMM Cc1cc(NC[C@@H]2CCC[C@H](C)O2)cc(-c2nn[n-]n2)n1 ZINC001592043177 1173783401 /nfs/dbraw/zinc/78/34/01/1173783401.db2.gz CNUSEMHYKGHDEB-JQWIXIFHSA-N -1 1 288.355 1.940 20 0 CDADMM Cc1cc(N[C@@H]2C[C@@H]3CC[C@H]2O3)nc(-c2nnn[n-]2)c1 ZINC001592054767 1173789363 /nfs/dbraw/zinc/78/93/63/1173789363.db2.gz HIYWVBBAHPHKLT-IQJOONFLSA-N -1 1 272.312 1.302 20 0 CDADMM Cc1cc(N[C@@H]2C[C@@H]3CC[C@H]2O3)nc(-c2nn[n-]n2)c1 ZINC001592054767 1173789367 /nfs/dbraw/zinc/78/93/67/1173789367.db2.gz HIYWVBBAHPHKLT-IQJOONFLSA-N -1 1 272.312 1.302 20 0 CDADMM Cc1cc[nH]c1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592073241 1173795256 /nfs/dbraw/zinc/79/52/56/1173795256.db2.gz XDWRKNWGHZADMT-UHFFFAOYSA-N -1 1 288.336 1.495 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCCOC(C)C ZINC001592113147 1173806156 /nfs/dbraw/zinc/80/61/56/1173806156.db2.gz VYVCVRJPSCJIDN-UHFFFAOYSA-N -1 1 262.317 1.407 20 0 CDADMM Cc1ccc(CCNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001592151000 1173812488 /nfs/dbraw/zinc/81/24/88/1173812488.db2.gz BHWUXAAJFKXESW-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1ccc(CCNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001592151000 1173812494 /nfs/dbraw/zinc/81/24/94/1173812494.db2.gz BHWUXAAJFKXESW-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1ccc(N2C[C@@H]3CC=CC[C@@H]3C2)c(-c2nnn[n-]2)n1 ZINC001592176741 1173822665 /nfs/dbraw/zinc/82/26/65/1173822665.db2.gz FTPVIOPZQUKZHW-TXEJJXNPSA-N -1 1 282.351 1.973 20 0 CDADMM Cc1ccc(N2C[C@@H]3CC=CC[C@@H]3C2)c(-c2nn[n-]n2)n1 ZINC001592176741 1173822671 /nfs/dbraw/zinc/82/26/71/1173822671.db2.gz FTPVIOPZQUKZHW-TXEJJXNPSA-N -1 1 282.351 1.973 20 0 CDADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c(O)c1 ZINC001592182793 1173825260 /nfs/dbraw/zinc/82/52/60/1173825260.db2.gz ZNYAGQKFKZDMQL-UHFFFAOYSA-N -1 1 285.263 1.726 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@@H](C)O[C@@H]2C)c(-c2nnn[n-]2)n1 ZINC001592183875 1173827798 /nfs/dbraw/zinc/82/77/98/1173827798.db2.gz LMVQXYRLMUKJHA-FXPVBKGRSA-N -1 1 274.328 1.548 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@@H](C)O[C@@H]2C)c(-c2nn[n-]n2)n1 ZINC001592183875 1173827804 /nfs/dbraw/zinc/82/78/04/1173827804.db2.gz LMVQXYRLMUKJHA-FXPVBKGRSA-N -1 1 274.328 1.548 20 0 CDADMM Cc1ccc(NC[C@@H]2CCCO2)c(-c2nnn[n-]2)n1 ZINC001592185872 1173830401 /nfs/dbraw/zinc/83/04/01/1173830401.db2.gz ORVZAECYQFDKIF-VIFPVBQESA-N -1 1 260.301 1.161 20 0 CDADMM Cc1ccc(NC[C@@H]2CCCO2)c(-c2nn[n-]n2)n1 ZINC001592185872 1173830409 /nfs/dbraw/zinc/83/04/09/1173830409.db2.gz ORVZAECYQFDKIF-VIFPVBQESA-N -1 1 260.301 1.161 20 0 CDADMM Cc1cccc(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)n1 ZINC001592232627 1173835359 /nfs/dbraw/zinc/83/53/59/1173835359.db2.gz YNSQYLLYPGFGBH-UHFFFAOYSA-N -1 1 282.307 1.089 20 0 CDADMM Cc1ccccc1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001592256622 1173836518 /nfs/dbraw/zinc/83/65/18/1173836518.db2.gz RJLVHSRWCICGQD-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1ccccc1CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001592256622 1173836523 /nfs/dbraw/zinc/83/65/23/1173836523.db2.gz RJLVHSRWCICGQD-UHFFFAOYSA-N -1 1 281.323 1.602 20 0 CDADMM Cc1cccc(N(C)C(=O)c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001592232845 1173836883 /nfs/dbraw/zinc/83/68/83/1173836883.db2.gz OPLCDNYSASBVNR-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM Cc1cccc(N(C)C(=O)c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001592232845 1173836888 /nfs/dbraw/zinc/83/68/88/1173836888.db2.gz OPLCDNYSASBVNR-UHFFFAOYSA-N -1 1 295.306 1.242 20 0 CDADMM Cc1coc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)c1 ZINC001592307741 1173852230 /nfs/dbraw/zinc/85/22/30/1173852230.db2.gz QXHVJNPOEZKEIX-UHFFFAOYSA-N -1 1 285.311 1.981 20 0 CDADMM Cc1coc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)c1 ZINC001592307741 1173852240 /nfs/dbraw/zinc/85/22/40/1173852240.db2.gz QXHVJNPOEZKEIX-UHFFFAOYSA-N -1 1 285.311 1.981 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@H]2c2ccccc2)n1 ZINC001592337080 1173859569 /nfs/dbraw/zinc/85/95/69/1173859569.db2.gz AMPZBRHCPRQGCT-ZDUSSCGKSA-N -1 1 293.334 1.917 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@H]2c2ccccc2)n1 ZINC001592337080 1173859576 /nfs/dbraw/zinc/85/95/76/1173859576.db2.gz AMPZBRHCPRQGCT-ZDUSSCGKSA-N -1 1 293.334 1.917 20 0 CDADMM Cc1ncccc1COC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001592417010 1173883579 /nfs/dbraw/zinc/88/35/79/1173883579.db2.gz MKSUZYMITKFZIY-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1ncccc1COC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001592417010 1173883584 /nfs/dbraw/zinc/88/35/84/1173883584.db2.gz MKSUZYMITKFZIY-UHFFFAOYSA-N -1 1 285.263 1.520 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@H](C)C2CCC2)c1-c1nnn[n-]1 ZINC001592442924 1173891027 /nfs/dbraw/zinc/89/10/27/1173891027.db2.gz RJUPQSMTJPRDTB-SSDOTTSWSA-N -1 1 289.343 1.283 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@H](C)C2CCC2)c1-c1nn[n-]n1 ZINC001592442924 1173891040 /nfs/dbraw/zinc/89/10/40/1173891040.db2.gz RJUPQSMTJPRDTB-SSDOTTSWSA-N -1 1 289.343 1.283 20 0 CDADMM Cc1nsc(NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001592493163 1173904746 /nfs/dbraw/zinc/90/47/46/1173904746.db2.gz OMLTUIOXVFPHSG-UHFFFAOYSA-N -1 1 280.342 1.095 20 0 CDADMM Cn1cc(Nc2cccc(-c3nnn[n-]3)n2)c(C2CC2)n1 ZINC001592574580 1173921981 /nfs/dbraw/zinc/92/19/81/1173921981.db2.gz KJZKLPHGJFRXRY-UHFFFAOYSA-N -1 1 282.311 1.616 20 0 CDADMM Cn1cc(Nc2cccc(-c3nn[n-]n3)n2)c(C2CC2)n1 ZINC001592574580 1173921985 /nfs/dbraw/zinc/92/19/85/1173921985.db2.gz KJZKLPHGJFRXRY-UHFFFAOYSA-N -1 1 282.311 1.616 20 0 CDADMM FC(F)(F)C[C@@H]1CCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001592614830 1173928874 /nfs/dbraw/zinc/92/88/74/1173928874.db2.gz ARLSQPSISXVYBA-ZETCQYMHSA-N -1 1 299.260 1.435 20 0 CDADMM FC(F)COCCSCc1ccc(-c2nnn[n-]2)o1 ZINC001592624180 1173932224 /nfs/dbraw/zinc/93/22/24/1173932224.db2.gz ZXFHXPPVXUJRPB-UHFFFAOYSA-N -1 1 290.295 1.975 20 0 CDADMM FC(F)COCCSCc1ccc(-c2nn[n-]n2)o1 ZINC001592624180 1173932226 /nfs/dbraw/zinc/93/22/26/1173932226.db2.gz ZXFHXPPVXUJRPB-UHFFFAOYSA-N -1 1 290.295 1.975 20 0 CDADMM FC(F)CCCNc1cccc(-c2nnn[n-]2)n1 ZINC001592624895 1173934018 /nfs/dbraw/zinc/93/40/18/1173934018.db2.gz PDKXVHUPOINPAJ-UHFFFAOYSA-N -1 1 254.244 1.719 20 0 CDADMM FC(F)CCCNc1cccc(-c2nn[n-]n2)n1 ZINC001592624895 1173934022 /nfs/dbraw/zinc/93/40/22/1173934022.db2.gz PDKXVHUPOINPAJ-UHFFFAOYSA-N -1 1 254.244 1.719 20 0 CDADMM F[C@@]1(c2ccccc2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001592631080 1173941117 /nfs/dbraw/zinc/94/11/17/1173941117.db2.gz PTJBQVLYWNBHPX-SMDDNHRTSA-N -1 1 297.297 1.706 20 0 CDADMM F[C@@]1(c2ccccc2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001592631080 1173941122 /nfs/dbraw/zinc/94/11/22/1173941122.db2.gz PTJBQVLYWNBHPX-SMDDNHRTSA-N -1 1 297.297 1.706 20 0 CDADMM F[C@]1(c2ccccc2)C[C@@H]1N=c1cc[nH]c(-c2nn[n-]n2)n1 ZINC001592631502 1173942442 /nfs/dbraw/zinc/94/24/42/1173942442.db2.gz SMAMNTYPOCIAMS-HZMBPMFUSA-N -1 1 297.297 1.128 20 0 CDADMM Fc1ccc(Oc2cc(-c3nnn[n-]3)nc(C3CC3)n2)cn1 ZINC001592652371 1173952741 /nfs/dbraw/zinc/95/27/41/1173952741.db2.gz HXFYBFUSQBXLEQ-UHFFFAOYSA-N -1 1 299.269 1.861 20 0 CDADMM Fc1ccc(Oc2cc(-c3nn[n-]n3)nc(C3CC3)n2)cn1 ZINC001592652371 1173952749 /nfs/dbraw/zinc/95/27/49/1173952749.db2.gz HXFYBFUSQBXLEQ-UHFFFAOYSA-N -1 1 299.269 1.861 20 0 CDADMM Fc1ccc(OCCCc2cnoc2)c(-c2nnn[n-]2)n1 ZINC001592652217 1173953280 /nfs/dbraw/zinc/95/32/80/1173953280.db2.gz XURYXELBYBGHSY-UHFFFAOYSA-N -1 1 290.258 1.400 20 0 CDADMM Fc1ccc(OCCCc2cnoc2)c(-c2nn[n-]n2)n1 ZINC001592652217 1173953282 /nfs/dbraw/zinc/95/32/82/1173953282.db2.gz XURYXELBYBGHSY-UHFFFAOYSA-N -1 1 290.258 1.400 20 0 CDADMM Fc1ccccc1C1CN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001592659208 1173958091 /nfs/dbraw/zinc/95/80/91/1173958091.db2.gz XELKIIUFIWGPLX-UHFFFAOYSA-N -1 1 297.297 1.400 20 0 CDADMM Fc1ccccc1C1CN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001592659208 1173958097 /nfs/dbraw/zinc/95/80/97/1173958097.db2.gz XELKIIUFIWGPLX-UHFFFAOYSA-N -1 1 297.297 1.400 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC[C@H]1CC=CCC1 ZINC001592915771 1174002736 /nfs/dbraw/zinc/00/27/36/1174002736.db2.gz UIFDHRBIPRJRAM-NSHDSACASA-N -1 1 298.350 1.277 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC[C@H]1CC=CCC1 ZINC001592915771 1174002742 /nfs/dbraw/zinc/00/27/42/1174002742.db2.gz UIFDHRBIPRJRAM-NSHDSACASA-N -1 1 298.350 1.277 20 0 CDADMM O=C(NC[C@]12C[C@H]1CCCC2)c1coc(-c2nnn[n-]2)c1 ZINC001593021552 1174013521 /nfs/dbraw/zinc/01/35/21/1174013521.db2.gz KHGMUMNKURAUQO-YGRLFVJLSA-N -1 1 287.323 1.770 20 0 CDADMM O=C(NC[C@]12C[C@H]1CCCC2)c1coc(-c2nn[n-]n2)c1 ZINC001593021552 1174013530 /nfs/dbraw/zinc/01/35/30/1174013530.db2.gz KHGMUMNKURAUQO-YGRLFVJLSA-N -1 1 287.323 1.770 20 0 CDADMM O=C(NC[C@H]1CCCS1)c1csc(-c2nn[n-]n2)c1 ZINC001593038973 1174017302 /nfs/dbraw/zinc/01/73/02/1174017302.db2.gz HZQIHCKFIDLRFK-MRVPVSSYSA-N -1 1 295.393 1.554 20 0 CDADMM O=C(NCCCc1ccco1)c1coc(-c2nnn[n-]2)c1 ZINC001593080124 1174021415 /nfs/dbraw/zinc/02/14/15/1174021415.db2.gz JLMOCFHQJICUMJ-UHFFFAOYSA-N -1 1 287.279 1.415 20 0 CDADMM O=C(NCCCc1ccco1)c1coc(-c2nn[n-]n2)c1 ZINC001593080124 1174021421 /nfs/dbraw/zinc/02/14/21/1174021421.db2.gz JLMOCFHQJICUMJ-UHFFFAOYSA-N -1 1 287.279 1.415 20 0 CDADMM O=C(NCCOc1ccccc1)c1coc(-c2nnn[n-]2)c1 ZINC001593100277 1174022153 /nfs/dbraw/zinc/02/21/53/1174022153.db2.gz VNPFHVSJACLOOY-UHFFFAOYSA-N -1 1 299.290 1.269 20 0 CDADMM O=C(NCCOc1ccccc1)c1coc(-c2nn[n-]n2)c1 ZINC001593100277 1174022158 /nfs/dbraw/zinc/02/21/58/1174022158.db2.gz VNPFHVSJACLOOY-UHFFFAOYSA-N -1 1 299.290 1.269 20 0 CDADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)C(F)=C1CCC1 ZINC001593149107 1174026390 /nfs/dbraw/zinc/02/63/90/1174026390.db2.gz JLMGISHAKMPHET-UHFFFAOYSA-N -1 1 294.315 1.347 20 0 CDADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)C(F)=C1CCC1 ZINC001593149107 1174026396 /nfs/dbraw/zinc/02/63/96/1174026396.db2.gz JLMGISHAKMPHET-UHFFFAOYSA-N -1 1 294.315 1.347 20 0 CDADMM O=C([N-]Oc1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001593170099 1174029568 /nfs/dbraw/zinc/02/95/68/1174029568.db2.gz DRHWZPNRGYWZNN-YUSALJHKSA-N -1 1 299.334 1.713 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)C1=CCCCCC1 ZINC001593197584 1174032199 /nfs/dbraw/zinc/03/21/99/1174032199.db2.gz MLPNRFWEUITHQK-UHFFFAOYSA-N -1 1 273.300 1.419 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)C1=CCCCCC1 ZINC001593197584 1174032203 /nfs/dbraw/zinc/03/22/03/1174032203.db2.gz MLPNRFWEUITHQK-UHFFFAOYSA-N -1 1 273.300 1.419 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@H]1CCCC12CC2 ZINC001593244381 1174039214 /nfs/dbraw/zinc/03/92/14/1174039214.db2.gz QNINUKNWRQRXKX-JTQLQIEISA-N -1 1 299.338 1.716 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@H]1CCCC12CC2 ZINC001593244381 1174039220 /nfs/dbraw/zinc/03/92/20/1174039220.db2.gz QNINUKNWRQRXKX-JTQLQIEISA-N -1 1 299.338 1.716 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CC=CCC1 ZINC001593253579 1174040313 /nfs/dbraw/zinc/04/03/13/1174040313.db2.gz BKXUAJCLTLURHE-UHFFFAOYSA-N -1 1 271.284 1.056 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CC=CCC1 ZINC001593253579 1174040318 /nfs/dbraw/zinc/04/03/18/1174040318.db2.gz BKXUAJCLTLURHE-UHFFFAOYSA-N -1 1 271.284 1.056 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC001593261071 1174044361 /nfs/dbraw/zinc/04/43/61/1174044361.db2.gz RDAYVOSOKRQRRZ-UHFFFAOYSA-N -1 1 291.221 1.120 20 0 CDADMM O=C(OCC(C1CC1)C1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593284097 1174052021 /nfs/dbraw/zinc/05/20/21/1174052021.db2.gz ZLYNTVGMCCRTEU-UHFFFAOYSA-N -1 1 299.334 1.855 20 0 CDADMM O=C(OCC(C1CC1)C1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593284097 1174052029 /nfs/dbraw/zinc/05/20/29/1174052029.db2.gz ZLYNTVGMCCRTEU-UHFFFAOYSA-N -1 1 299.334 1.855 20 0 CDADMM O=C(OC[C@H]1CCCCO1)c1csc(-c2nnn[n-]2)c1 ZINC001593284409 1174052251 /nfs/dbraw/zinc/05/22/51/1174052251.db2.gz NTYNQRDBWYFEJN-SECBINFHSA-N -1 1 294.336 1.654 20 0 CDADMM O=C(OC[C@H]1CCCCO1)c1csc(-c2nn[n-]n2)c1 ZINC001593284409 1174052257 /nfs/dbraw/zinc/05/22/57/1174052257.db2.gz NTYNQRDBWYFEJN-SECBINFHSA-N -1 1 294.336 1.654 20 0 CDADMM O=C(OCc1ccccn1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593301671 1174060269 /nfs/dbraw/zinc/06/02/69/1174060269.db2.gz YMTWTUFNAWVXPA-UHFFFAOYSA-N -1 1 282.263 1.014 20 0 CDADMM O=C(OCc1ccccn1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593301671 1174060272 /nfs/dbraw/zinc/06/02/72/1174060272.db2.gz YMTWTUFNAWVXPA-UHFFFAOYSA-N -1 1 282.263 1.014 20 0 CDADMM O=C(OCc1cn[nH]c1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593303435 1174061450 /nfs/dbraw/zinc/06/14/50/1174061450.db2.gz KJQTWCYATLJNFF-UHFFFAOYSA-N -1 1 288.242 1.086 20 0 CDADMM O=C(OCc1cn[nH]c1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593303435 1174061453 /nfs/dbraw/zinc/06/14/53/1174061453.db2.gz KJQTWCYATLJNFF-UHFFFAOYSA-N -1 1 288.242 1.086 20 0 CDADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CCCCC1 ZINC001593316810 1174062533 /nfs/dbraw/zinc/06/25/33/1174062533.db2.gz WEMVTKPPUFVUSN-UHFFFAOYSA-N -1 1 296.334 1.974 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC2(C1)CC(F)(F)C2 ZINC001593367497 1174071560 /nfs/dbraw/zinc/07/15/60/1174071560.db2.gz KYSXUNBUYDAXSU-UHFFFAOYSA-N -1 1 295.249 1.331 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC2(C1)CC(F)(F)C2 ZINC001593367497 1174071565 /nfs/dbraw/zinc/07/15/65/1174071565.db2.gz KYSXUNBUYDAXSU-UHFFFAOYSA-N -1 1 295.249 1.331 20 0 CDADMM O=C1C[C@H]2CC[C@@H](C1)N2Cc1nc(-c2nnn[n-]2)cs1 ZINC001593388419 1174072772 /nfs/dbraw/zinc/07/27/72/1174072772.db2.gz IAUONQAJHPLSTK-OCAPTIKFSA-N -1 1 290.352 1.019 20 0 CDADMM O=C1C[C@H]2CC[C@@H](C1)N2Cc1nc(-c2nn[n-]n2)cs1 ZINC001593388419 1174072780 /nfs/dbraw/zinc/07/27/80/1174072780.db2.gz IAUONQAJHPLSTK-OCAPTIKFSA-N -1 1 290.352 1.019 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1ccnc(Cl)c1 ZINC001593494510 1174087109 /nfs/dbraw/zinc/08/71/09/1174087109.db2.gz TUDPMIZSLHJWCP-UHFFFAOYSA-N -1 1 288.698 1.125 20 0 CDADMM OCCCCCCCOc1ccc(F)nc1-c1nnn[n-]1 ZINC001593530400 1174104977 /nfs/dbraw/zinc/10/49/77/1174104977.db2.gz DKWNZHDNKOMMEY-UHFFFAOYSA-N -1 1 295.318 1.722 20 0 CDADMM OCCCCCCCOc1ccc(F)nc1-c1nn[n-]n1 ZINC001593530400 1174104983 /nfs/dbraw/zinc/10/49/83/1174104983.db2.gz DKWNZHDNKOMMEY-UHFFFAOYSA-N -1 1 295.318 1.722 20 0 CDADMM c1cc(N[C@@H]2CCCC23CC3)cc(-c2nnn[n-]2)n1 ZINC001593558395 1174134346 /nfs/dbraw/zinc/13/43/46/1174134346.db2.gz LRBAPMULKITQCK-LLVKDONJSA-N -1 1 256.313 1.428 20 0 CDADMM c1cc(N[C@@H]2CCCC23CC3)cc(-c2nn[n-]n2)n1 ZINC001593558395 1174134348 /nfs/dbraw/zinc/13/43/48/1174134348.db2.gz LRBAPMULKITQCK-LLVKDONJSA-N -1 1 256.313 1.428 20 0 CDADMM c1cc(NCc2ccc3c(c2)OCO3)cc(-c2nnn[n-]2)n1 ZINC001593561754 1174137805 /nfs/dbraw/zinc/13/78/05/1174137805.db2.gz WUNQWIBNJRARPZ-UHFFFAOYSA-N -1 1 296.290 1.024 20 0 CDADMM c1cc(NCc2ccc3c(c2)OCO3)cc(-c2nn[n-]n2)n1 ZINC001593561754 1174137808 /nfs/dbraw/zinc/13/78/08/1174137808.db2.gz WUNQWIBNJRARPZ-UHFFFAOYSA-N -1 1 296.290 1.024 20 0 CDADMM c1ccc(C[C@@H]2C[C@@H]2Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001593572091 1174143845 /nfs/dbraw/zinc/14/38/45/1174143845.db2.gz PBZPCDYLXYVVPP-NEPJUHHUSA-N -1 1 293.334 1.700 20 0 CDADMM c1ccc(C[C@@H]2C[C@@H]2Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001593572091 1174143850 /nfs/dbraw/zinc/14/38/50/1174143850.db2.gz PBZPCDYLXYVVPP-NEPJUHHUSA-N -1 1 293.334 1.700 20 0 CDADMM c1nc(Sc2ccnc(-c3nn[n-]n3)n2)n2ccccc12 ZINC001593582317 1174147250 /nfs/dbraw/zinc/14/72/50/1174147250.db2.gz MODIKLJLKYSMKV-UHFFFAOYSA-N -1 1 296.319 1.456 20 0 CDADMM c1n[nH]cc1CSc1cccnc1-c1nnn[n-]1 ZINC001593584241 1174153001 /nfs/dbraw/zinc/15/30/01/1174153001.db2.gz JUEQLUXVCBCBGB-UHFFFAOYSA-N -1 1 259.298 1.277 20 0 CDADMM c1n[nH]cc1CSc1cccnc1-c1nn[n-]n1 ZINC001593584241 1174153003 /nfs/dbraw/zinc/15/30/03/1174153003.db2.gz JUEQLUXVCBCBGB-UHFFFAOYSA-N -1 1 259.298 1.277 20 0 CDADMM c1cncc([C@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)c1 ZINC001593587741 1174154501 /nfs/dbraw/zinc/15/45/01/1174154501.db2.gz PCVCUVIKFAMELO-CYBMUJFWSA-N -1 1 294.322 1.615 20 0 CDADMM c1cncc([C@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)c1 ZINC001593587741 1174154506 /nfs/dbraw/zinc/15/45/06/1174154506.db2.gz PCVCUVIKFAMELO-CYBMUJFWSA-N -1 1 294.322 1.615 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NC[C@@]23C[C@@H]2CCCC3)n1 ZINC001593595829 1174164530 /nfs/dbraw/zinc/16/45/30/1174164530.db2.gz YSMKDRYRZQQVSG-TVQRCGJNSA-N -1 1 271.328 1.649 20 0 CDADMM Cc1cn[nH]c1CN(C)Cc1ccc(C(=O)[O-])cn1 ZINC001600062396 1174349646 /nfs/dbraw/zinc/34/96/46/1174349646.db2.gz RXIVGSYLOITRGR-UHFFFAOYSA-N -1 1 260.297 1.443 20 0 CDADMM Cc1cc(CNC(=O)c2[nH]ncc2F)oc1C(=O)[O-] ZINC001600202757 1174404247 /nfs/dbraw/zinc/40/42/47/1174404247.db2.gz HILITOAXHOAKBY-UHFFFAOYSA-N -1 1 267.216 1.078 20 0 CDADMM Cc1cc(N2CC[C@](O)(C(=O)[O-])C2)c2cc(F)ccc2n1 ZINC001600239222 1174420735 /nfs/dbraw/zinc/42/07/35/1174420735.db2.gz PCWATNNPJRKSGD-OAHLLOKOSA-N -1 1 290.294 1.708 20 0 CDADMM Cc1ccc(C(=O)N2CCN(C)[C@H](C)[C@H]2C)cc1C(=O)[O-] ZINC001600333701 1174446144 /nfs/dbraw/zinc/44/61/44/1174446144.db2.gz JXZSTYNMZYJXLY-VXGBXAGGSA-N -1 1 290.363 1.858 20 0 CDADMM Cc1ccc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)cn1 ZINC001600333677 1174446608 /nfs/dbraw/zinc/44/66/08/1174446608.db2.gz INGLYFLYWNQLQY-GFCCVEGCSA-N -1 1 291.351 1.011 20 0 CDADMM Cc1ccc(CN[C@@H]2CCCn3nc(C(=O)[O-])cc32)cn1 ZINC001600418501 1174469365 /nfs/dbraw/zinc/46/93/65/1174469365.db2.gz INEDBOXYZHRKKJ-GFCCVEGCSA-N -1 1 286.335 1.909 20 0 CDADMM Cc1ccccc1[C@@H](N)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001600571637 1174510264 /nfs/dbraw/zinc/51/02/64/1174510264.db2.gz NMRHHJHOGRJPII-IACUBPJLSA-N -1 1 290.363 1.564 20 0 CDADMM Cc1ccccc1CNC(=O)CN[C@@](C)(CCF)C(=O)[O-] ZINC001600581169 1174514128 /nfs/dbraw/zinc/51/41/28/1174514128.db2.gz XDHAOPJCVZKDOH-HNNXBMFYSA-N -1 1 296.342 1.404 20 0 CDADMM c1nc(-c2nn[n-]n2)nn1-c1nc2ccccc2s1 ZINC000095251132 1174518874 /nfs/dbraw/zinc/51/88/74/1174518874.db2.gz SBLDINLVYBCOOH-UHFFFAOYSA-N -1 1 270.281 1.057 20 0 CDADMM Cc1ccnc([C@H]2CCN(Cc3cnc(C(=O)[O-])cn3)C2)c1 ZINC001600599693 1174522051 /nfs/dbraw/zinc/52/20/51/1174522051.db2.gz AUTHHTUYRQQMSM-LBPRGKRZSA-N -1 1 298.346 1.868 20 0 CDADMM Cc1cnn([C@H]2CCN(Cc3cc(C(=O)[O-])co3)C2)c1 ZINC001600637706 1174544656 /nfs/dbraw/zinc/54/46/56/1174544656.db2.gz VPJKJSNTJGVIAU-LBPRGKRZSA-N -1 1 275.308 1.930 20 0 CDADMM Cc1nnc(S[C@@H](C)C(=O)C(C)(C)C(=O)[O-])[nH]1 ZINC001600798849 1174616603 /nfs/dbraw/zinc/61/66/03/1174616603.db2.gz FYANNZGAPHBVGF-YFKPBYRVSA-N -1 1 257.315 1.274 20 0 CDADMM Cc1n[nH]c(S[C@@H](C)C(=O)C(C)(C)C(=O)[O-])n1 ZINC001600798849 1174616605 /nfs/dbraw/zinc/61/66/05/1174616605.db2.gz FYANNZGAPHBVGF-YFKPBYRVSA-N -1 1 257.315 1.274 20 0 CDADMM Cc1oc(C(=O)[O-])cc1C(=O)NCc1n[nH]c(C2CC2)n1 ZINC001600826258 1174631636 /nfs/dbraw/zinc/63/16/36/1174631636.db2.gz NBGIWHWWYDXCEN-UHFFFAOYSA-N -1 1 290.279 1.212 20 0 CDADMM CSCCCNc1ccnc(-c2nnn[n-]2)c1 ZINC000103628978 1174683581 /nfs/dbraw/zinc/68/35/81/1174683581.db2.gz FRJCWHTXYAVOJK-UHFFFAOYSA-N -1 1 250.331 1.427 20 0 CDADMM CSCCCNc1ccnc(-c2nn[n-]n2)c1 ZINC000103628978 1174683585 /nfs/dbraw/zinc/68/35/85/1174683585.db2.gz FRJCWHTXYAVOJK-UHFFFAOYSA-N -1 1 250.331 1.427 20 0 CDADMM c1ccc2c(c1)CCN2c1ccnc(-c2nnn[n-]2)c1 ZINC000103671236 1174684713 /nfs/dbraw/zinc/68/47/13/1174684713.db2.gz OANGUIHVVOZVQJ-UHFFFAOYSA-N -1 1 264.292 1.956 20 0 CDADMM c1ccc2c(c1)CCN2c1ccnc(-c2nn[n-]n2)c1 ZINC000103671236 1174684718 /nfs/dbraw/zinc/68/47/18/1174684718.db2.gz OANGUIHVVOZVQJ-UHFFFAOYSA-N -1 1 264.292 1.956 20 0 CDADMM CN(Cc1ccco1)c1ccnc(-c2nnn[n-]2)c1 ZINC000103621845 1174684843 /nfs/dbraw/zinc/68/48/43/1174684843.db2.gz LFKPVCWTYIRCSW-UHFFFAOYSA-N -1 1 256.269 1.491 20 0 CDADMM CN(Cc1ccco1)c1ccnc(-c2nn[n-]n2)c1 ZINC000103621845 1174684845 /nfs/dbraw/zinc/68/48/45/1174684845.db2.gz LFKPVCWTYIRCSW-UHFFFAOYSA-N -1 1 256.269 1.491 20 0 CDADMM Cn1cncc1CN1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC001600993789 1174695987 /nfs/dbraw/zinc/69/59/87/1174695987.db2.gz XLMYZUZWGIQUHK-FRRDWIJNSA-N -1 1 263.341 1.495 20 0 CDADMM NC(=O)[C@@H](NC1CC(CC(=O)[O-])C1)c1ccc(F)cc1 ZINC001601138549 1174760245 /nfs/dbraw/zinc/76/02/45/1174760245.db2.gz CUGVCGZIIYORRX-CIUSJNJJSA-N -1 1 280.299 1.195 20 0 CDADMM N[C@H](C(=O)N1CCC(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC001601172816 1174771471 /nfs/dbraw/zinc/77/14/71/1174771471.db2.gz AFNLOOSIUWTFSX-LBPRGKRZSA-N -1 1 296.754 1.663 20 0 CDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCC=CCCC1 ZINC001601565720 1174902168 /nfs/dbraw/zinc/90/21/68/1174902168.db2.gz MJVMVJRSYVYXLY-AAEUAGOBSA-N -1 1 291.351 1.658 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](NC(=O)c2cc(F)cc(F)c2O)[C@H]2C[C@H]21 ZINC001601572837 1174903770 /nfs/dbraw/zinc/90/37/70/1174903770.db2.gz MFTJKTSNXSNWGN-UVMAFCGOSA-N -1 1 297.257 1.509 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)c3ccnnc3)[nH]c21 ZINC001601631594 1174916254 /nfs/dbraw/zinc/91/62/54/1174916254.db2.gz RETSZRWOTPRTRR-UHFFFAOYSA-N -1 1 283.247 1.303 20 0 CDADMM O=C([O-])C=Cc1ccc(C(=O)N2CCc3nc[nH]c3C2)o1 ZINC001601873746 1175044601 /nfs/dbraw/zinc/04/46/01/1175044601.db2.gz NEAQZKZCIFUDBP-RQOWECAXSA-N -1 1 287.275 1.299 20 0 CDADMM O=C([O-])CC1(NCc2nc(CC3CC3)no2)CCCC1 ZINC001601937187 1175074504 /nfs/dbraw/zinc/07/45/04/1175074504.db2.gz JSXAFBQFHVMUKJ-UHFFFAOYSA-N -1 1 279.340 1.899 20 0 CDADMM O=C([O-])C[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])no2)C1 ZINC001601951869 1175084114 /nfs/dbraw/zinc/08/41/14/1175084114.db2.gz MBVMQDBMGGBENC-MRVPVSSYSA-N -1 1 268.269 1.060 20 0 CDADMM O=C([O-])CC[N@@H+](CC(=O)[O-])Cc1cccc(C2CC2)c1 ZINC001602005092 1175108052 /nfs/dbraw/zinc/10/80/52/1175108052.db2.gz VBNKHKLMJDSDTG-UHFFFAOYSA-N -1 1 277.320 1.925 20 0 CDADMM O=C([O-])Cc1cccc(NS(=O)(=O)c2ccccc2)n1 ZINC001602140892 1175139948 /nfs/dbraw/zinc/13/99/48/1175139948.db2.gz SKSZHYIDXNLBBO-UHFFFAOYSA-N -1 1 292.316 1.510 20 0 CDADMM O=C([O-])[C@@H](F)CNC[C@@H](O)c1ccc(F)cc1F ZINC001602170013 1175149486 /nfs/dbraw/zinc/14/94/86/1175149486.db2.gz OJCSKEICGJSNTD-VHSXEESVSA-N -1 1 263.215 1.011 20 0 CDADMM O=C([O-])c1c[nH]c(CN2CCc3n[nH]nc3C2)c1C1CC1 ZINC001602234871 1175175798 /nfs/dbraw/zinc/17/57/98/1175175798.db2.gz ZOYBUJFIEXIXPX-UHFFFAOYSA-N -1 1 287.323 1.267 20 0 CDADMM O=C([O-])c1cc(CN2CCC[C@@H](O)C2)n2c1CCCC2 ZINC001602256455 1175183175 /nfs/dbraw/zinc/18/31/75/1175183175.db2.gz ZPQKRXNMHAJFDW-GFCCVEGCSA-N -1 1 278.352 1.479 20 0 CDADMM O=C([O-])c1cc(CNC(=O)c2cccc3nc[nH]c32)ccn1 ZINC001602259002 1175185781 /nfs/dbraw/zinc/18/57/81/1175185781.db2.gz PNTDIKROTCBZRK-UHFFFAOYSA-N -1 1 296.286 1.586 20 0 CDADMM O=C([O-])c1ccc(C(=O)OCc2cc(C3CC3)[nH]n2)[nH]1 ZINC001602327939 1175207531 /nfs/dbraw/zinc/20/75/31/1175207531.db2.gz JGFZVTOHZVEOBM-UHFFFAOYSA-N -1 1 275.264 1.670 20 0 CDADMM O=C([O-])c1ccc(CN2CCC(OCCCO)CC2)[nH]1 ZINC001602337810 1175212571 /nfs/dbraw/zinc/21/25/71/1175212571.db2.gz KXZSOJZZTIBSJS-UHFFFAOYSA-N -1 1 282.340 1.076 20 0 CDADMM O=C([O-])c1cccc2c1CC[N@H+](C[C@H](O)C1(O)CCC1)C2 ZINC001602456777 1175246394 /nfs/dbraw/zinc/24/63/94/1175246394.db2.gz CJAUYMAYEZNQGI-AWEZNQCLSA-N -1 1 291.347 1.019 20 0 CDADMM O=C([O-])c1cnc(NS(=O)(=O)Cc2ccccc2)cn1 ZINC001602533370 1175277073 /nfs/dbraw/zinc/27/70/73/1175277073.db2.gz GRZVVVQYZBOUPG-UHFFFAOYSA-N -1 1 293.304 1.117 20 0 CDADMM O=C([O-])c1ncn(CN2CCC[C@@H]2Cc2ccccc2)n1 ZINC001602580130 1175305766 /nfs/dbraw/zinc/30/57/66/1175305766.db2.gz IMKQJKWGGFNGSO-CYBMUJFWSA-N -1 1 286.335 1.641 20 0 CDADMM c1nc(-c2nn[n-]n2)ncc1OCCC1=CCCCC1 ZINC001602746855 1175384767 /nfs/dbraw/zinc/38/47/67/1175384767.db2.gz RHEHHKOTTAIWCQ-UHFFFAOYSA-N -1 1 272.312 1.926 20 0 CDADMM CC(=O)Nc1ccc(Oc2ncncc2-c2nnn[n-]2)cc1 ZINC001602952163 1175456737 /nfs/dbraw/zinc/45/67/37/1175456737.db2.gz ARSSCBBEULNMEM-UHFFFAOYSA-N -1 1 297.278 1.407 20 0 CDADMM CC(=O)Nc1ccc(Oc2ncncc2-c2nn[n-]n2)cc1 ZINC001602952163 1175456739 /nfs/dbraw/zinc/45/67/39/1175456739.db2.gz ARSSCBBEULNMEM-UHFFFAOYSA-N -1 1 297.278 1.407 20 0 CDADMM CC(=O)c1cccc(NC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001602979050 1175470146 /nfs/dbraw/zinc/47/01/46/1175470146.db2.gz JUXKVBKPABQTOD-UHFFFAOYSA-N -1 1 297.274 1.915 20 0 CDADMM CC(=O)c1cccc(NC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001602979050 1175470151 /nfs/dbraw/zinc/47/01/51/1175470151.db2.gz JUXKVBKPABQTOD-UHFFFAOYSA-N -1 1 297.274 1.915 20 0 CDADMM CC(C)(C)[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001603064521 1175484402 /nfs/dbraw/zinc/48/44/02/1175484402.db2.gz DOHLIEDLQYCBTN-SNVBAGLBSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)(C)[C@@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001603064521 1175484404 /nfs/dbraw/zinc/48/44/04/1175484404.db2.gz DOHLIEDLQYCBTN-SNVBAGLBSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1)=C1CCCC1 ZINC001603146310 1175501220 /nfs/dbraw/zinc/50/12/20/1175501220.db2.gz PDZLFRNENLFLPN-GFCCVEGCSA-N -1 1 294.395 1.884 20 0 CDADMM 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/nfs/dbraw/zinc/47/38/66/935473866.db2.gz YROXEYLUQMWPNX-UHFFFAOYSA-N -1 1 283.234 1.665 20 0 CDADMM CC(C)Oc1ccc(C(=O)OCc2nn[n-]n2)cc1 ZINC001123118912 936116999 /nfs/dbraw/zinc/11/69/99/936116999.db2.gz BTDXJAYZWAELSH-UHFFFAOYSA-N -1 1 262.269 1.344 20 0 CDADMM CC[C@@H](C)S(=O)(=O)[N-]c1cnc(Cl)nc1OC ZINC001260726892 936133053 /nfs/dbraw/zinc/13/30/53/936133053.db2.gz WYDNDSWKWAFWDC-ZCFIWIBFSA-N -1 1 279.749 1.679 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H]1CCCOCC1 ZINC001123680691 936199939 /nfs/dbraw/zinc/19/99/39/936199939.db2.gz MIHRGEKEHPPGJE-QMMMGPOBSA-N -1 1 283.353 1.078 20 0 CDADMM CO[C@H]1C[C@@H](N(C)C(=O)c2c(C)[nH]c(=O)[n-]c2=S)C1 ZINC001123877241 936237514 /nfs/dbraw/zinc/23/75/14/936237514.db2.gz DPZJUIOEBVFRNC-OCAPTIKFSA-N -1 1 283.353 1.029 20 0 CDADMM C=C/C=C/CC(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1 ZINC001156865952 938427344 /nfs/dbraw/zinc/42/73/44/938427344.db2.gz AKVLSXQIUHBQPQ-AATRIKPKSA-N -1 1 277.324 1.329 20 0 CDADMM CCNc1ccc(NC(=O)c2n[nH]c(C)c2[O-])cn1 ZINC001157983498 938571612 /nfs/dbraw/zinc/57/16/12/938571612.db2.gz KTDPNEBOCCHNST-UHFFFAOYSA-N -1 1 261.285 1.503 20 0 CDADMM Cc1cnc(CN)n1-c1nc[n-]c2nc(=S)sc1-2 ZINC001158166283 938589578 /nfs/dbraw/zinc/58/95/78/938589578.db2.gz JEOADWJLVDGTLP-UHFFFAOYSA-N -1 1 278.366 1.328 20 0 CDADMM COCc1ccnc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)c1 ZINC001159184987 938709164 /nfs/dbraw/zinc/70/91/64/938709164.db2.gz DPNFPHIRXQIFAH-UHFFFAOYSA-N -1 1 288.267 1.001 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)[C@H]1CCc2ccccc2C1 ZINC001161391966 938899207 /nfs/dbraw/zinc/89/92/07/938899207.db2.gz SQBVHGAQNTYTQY-NSHDSACASA-N -1 1 257.293 1.859 20 0 CDADMM O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1cnc2ccnn2c1 ZINC001204781210 939790256 /nfs/dbraw/zinc/79/02/56/939790256.db2.gz UEPZMKOMWLMPIM-UHFFFAOYSA-N -1 1 289.280 1.655 20 0 CDADMM Cn1ccc(Nc2cc3ccc([O-])cc3oc2=O)cc1=O ZINC001206085756 939978202 /nfs/dbraw/zinc/97/82/02/939978202.db2.gz ZAINXELNWBTHPS-UHFFFAOYSA-N -1 1 284.271 1.941 20 0 CDADMM Nc1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1N 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ZINC001210439142 940691390 /nfs/dbraw/zinc/69/13/90/940691390.db2.gz GCJAKTJPCIUGKY-UHFFFAOYSA-N -1 1 298.755 1.700 20 0 CDADMM COCCN=c1ccc(N)cn1-c1cc(F)c([O-])c(F)c1 ZINC001213377427 940771566 /nfs/dbraw/zinc/77/15/66/940771566.db2.gz ONZSBFBAZGJSIO-UHFFFAOYSA-N -1 1 295.289 1.590 20 0 CDADMM COc1nc(Nc2ccc(CCC(=O)[O-])cc2)cc(=O)[nH]1 ZINC001213620845 940780385 /nfs/dbraw/zinc/78/03/85/940780385.db2.gz BIBURZNBVOMPFQ-UHFFFAOYSA-N -1 1 289.291 1.952 20 0 CDADMM CCOC(=O)c1cnoc1Nc1cc(C(=O)[O-])cnc1F ZINC001215120066 940858673 /nfs/dbraw/zinc/85/86/73/940858673.db2.gz OKZMJFZHDFMSOS-UHFFFAOYSA-N -1 1 295.226 1.827 20 0 CDADMM COCOc1ccc(Nc2c(N)[nH]c(=S)[n-]c2=O)cn1 ZINC001215663975 940902076 /nfs/dbraw/zinc/90/20/76/940902076.db2.gz SPVZWBUKFAGAJR-UHFFFAOYSA-N -1 1 295.324 1.174 20 0 CDADMM CC1(C)C(C(=O)N2CC[C@H](c3nn[n-]n3)C2)C1(C)C ZINC000720655313 940992565 /nfs/dbraw/zinc/99/25/65/940992565.db2.gz MRWJPZUEFCUPLP-QMMMGPOBSA-N -1 1 263.345 1.198 20 0 CDADMM NC(=O)[C@@H]1Cc2ccccc2N(C(=O)c2ccc([O-])cn2)C1 ZINC001362049761 970818691 /nfs/dbraw/zinc/81/86/91/970818691.db2.gz NHJNHMTWMKCRGR-LLVKDONJSA-N -1 1 297.314 1.092 20 0 CDADMM Clc1ccnc2c1CC[C@@H]2OCc1nn[n-]n1 ZINC001223029461 941651671 /nfs/dbraw/zinc/65/16/71/941651671.db2.gz LVFUTHRZQFNEKJ-QMMMGPOBSA-N -1 1 251.677 1.452 20 0 CDADMM c1ccc([C@H](OCc2nn[n-]n2)c2ccccn2)cc1 ZINC001223028237 941651680 /nfs/dbraw/zinc/65/16/80/941651680.db2.gz ZKTCZPVZDBEPKV-AWEZNQCLSA-N -1 1 267.292 1.901 20 0 CDADMM CC(C)OC(=O)N1CCC(OCC[P@](=O)([O-])O)CC1 ZINC001224604615 941774412 /nfs/dbraw/zinc/77/44/12/941774412.db2.gz FBPMTMSQVNLYPV-UHFFFAOYSA-N -1 1 295.272 1.190 20 0 CDADMM CC/C=C\CCOC(=O)[C@H](C)OCC[P@](=O)([O-])O ZINC001224605274 941774804 /nfs/dbraw/zinc/77/48/04/941774804.db2.gz HDYSDOPQOQZKKH-LWTINBJPSA-N -1 1 280.257 1.469 20 0 CDADMM O=[P@]([O-])(O)CCO[C@H]1CCCN(c2ccccc2)C1 ZINC001224607999 941775851 /nfs/dbraw/zinc/77/58/51/941775851.db2.gz XOKFQKBNJDBOER-ZDUSSCGKSA-N -1 1 285.280 1.850 20 0 CDADMM CC(=O)c1c(O)cc([O-])cc1O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC001225678356 941899280 /nfs/dbraw/zinc/89/92/80/941899280.db2.gz HSVBUJZZOTYCSA-DUFXMDAXSA-N -1 1 280.276 1.441 20 0 CDADMM O=c1cc(OC[C@H]2COCCO2)nc(-c2ccccc2)[n-]1 ZINC001226181864 941963909 /nfs/dbraw/zinc/96/39/09/941963909.db2.gz HGSIXFDNLSRXGG-GFCCVEGCSA-N -1 1 288.303 1.643 20 0 CDADMM CCCCOC[C@H](C)Oc1nc(=O)[n-]cc1C(C)=O ZINC001226237577 941972096 /nfs/dbraw/zinc/97/20/96/941972096.db2.gz KKVPAPWOZKTENI-VIFPVBQESA-N -1 1 268.313 1.969 20 0 CDADMM CO[C@@H](C)CO[C@H](C)COc1nc(=O)[n-]cc1C(C)=O ZINC001226240670 941972901 /nfs/dbraw/zinc/97/29/01/941972901.db2.gz NWBQFRJRJIJPNM-DTWKUNHWSA-N -1 1 284.312 1.204 20 0 CDADMM COc1cnc(=S)[n-]c1OC[C@H]1CCC=CO1 ZINC001226241942 941973327 /nfs/dbraw/zinc/97/33/27/941973327.db2.gz DQGNGZPWVGVBSS-MRVPVSSYSA-N -1 1 254.311 1.845 20 0 CDADMM COc1cnc(=S)[n-]c1O[C@H](C)c1cnccn1 ZINC001226247189 941974381 /nfs/dbraw/zinc/97/43/81/941974381.db2.gz UQXCSKKBQFVFOA-SSDOTTSWSA-N -1 1 264.310 1.704 20 0 CDADMM Cc1cc(=O)oc2cc([O-])cc(OC(=O)C[C@@H](C)O)c12 ZINC001226490227 942014533 /nfs/dbraw/zinc/01/45/33/942014533.db2.gz PTGYZFOHVVJCNF-MRVPVSSYSA-N -1 1 278.260 1.483 20 0 CDADMM CN(C)CC[C@H](Oc1c([O-])c(=O)c1=O)c1ccccc1 ZINC001226605520 942034457 /nfs/dbraw/zinc/03/44/57/942034457.db2.gz HRAAXDWOISTMIO-NSHDSACASA-N -1 1 275.304 1.060 20 0 CDADMM C[C@H]1CC[C@@H](Oc2cc(=O)[n-]c(N3CCOCC3)n2)C1 ZINC001226721468 942057465 /nfs/dbraw/zinc/05/74/65/942057465.db2.gz GRLNJPHNQQMNMD-WDEREUQCSA-N -1 1 279.340 1.586 20 0 CDADMM CCC[C@@H](CC(=O)OCC)Oc1cnc[n-]c1=O ZINC001227049210 942121874 /nfs/dbraw/zinc/12/18/74/942121874.db2.gz RUQFSBNBOXJNTF-VIFPVBQESA-N -1 1 254.286 1.683 20 0 CDADMM COC(=O)CC1CCC(Oc2cnc[n-]c2=O)CC1 ZINC001227051660 942121985 /nfs/dbraw/zinc/12/19/85/942121985.db2.gz NEJZJJAMHGRFSY-UHFFFAOYSA-N -1 1 266.297 1.683 20 0 CDADMM COCC(=O)c1ccc([O-])cc1O[C@@H]1CCCOC1 ZINC001227168025 942143784 /nfs/dbraw/zinc/14/37/84/942143784.db2.gz CVNFPHYCIFZSQK-LLVKDONJSA-N -1 1 266.293 1.779 20 0 CDADMM CCOC(=O)c1ccc2nc(OC(=O)[C@H](C)O)[n-]c2c1 ZINC001227701395 942206342 /nfs/dbraw/zinc/20/63/42/942206342.db2.gz GZLLPDYRCOQWBR-ZETCQYMHSA-N -1 1 278.264 1.026 20 0 CDADMM CCOC(=O)c1ccc2[n-]c(OC(=O)[C@H](C)O)nc2c1 ZINC001227701395 942206349 /nfs/dbraw/zinc/20/63/49/942206349.db2.gz GZLLPDYRCOQWBR-ZETCQYMHSA-N -1 1 278.264 1.026 20 0 CDADMM COC(=O)c1n[n-]c(O[C@@H](C)c2cccnc2Cl)n1 ZINC001228309052 942295225 /nfs/dbraw/zinc/29/52/25/942295225.db2.gz RJRNYWXLEGWLDN-LURJTMIESA-N -1 1 282.687 1.780 20 0 CDADMM COC(=O)c1nc(O[C@@H](C)c2cccnc2Cl)n[n-]1 ZINC001228309052 942295229 /nfs/dbraw/zinc/29/52/29/942295229.db2.gz RJRNYWXLEGWLDN-LURJTMIESA-N -1 1 282.687 1.780 20 0 CDADMM COC(=O)c1n[n-]c(O[C@@H](C)c2cnc3ccccn32)n1 ZINC001228308606 942295433 /nfs/dbraw/zinc/29/54/33/942295433.db2.gz KSMJDFSTEJKDHW-QMMMGPOBSA-N -1 1 287.279 1.379 20 0 CDADMM COC(=O)c1nc(O[C@@H](C)c2cnc3ccccn32)n[n-]1 ZINC001228308606 942295436 /nfs/dbraw/zinc/29/54/36/942295436.db2.gz KSMJDFSTEJKDHW-QMMMGPOBSA-N -1 1 287.279 1.379 20 0 CDADMM CCC(=O)c1c(O)cc([O-])cc1OC[C@H]1CCO1 ZINC001228560472 942335454 /nfs/dbraw/zinc/33/54/54/942335454.db2.gz PFCJRFQTCXALBA-SECBINFHSA-N -1 1 252.266 1.858 20 0 CDADMM CCOC(=O)[C@@H]1CCCC[C@H]1Oc1cnnc(=S)[n-]1 ZINC001228641987 942346730 /nfs/dbraw/zinc/34/67/30/942346730.db2.gz LIEFGFYGSIWPFS-RKDXNWHRSA-N -1 1 283.353 1.661 20 0 CDADMM O=C(NC[C@@H](O)c1ccccc1)c1ccc(F)c([O-])c1 ZINC001362106952 970895396 /nfs/dbraw/zinc/89/53/96/970895396.db2.gz DDLSRNPOMYHDRL-CQSZACIVSA-N -1 1 275.279 1.995 20 0 CDADMM CC[C@@H](O)C(=O)Oc1cccc([O-])c1Br ZINC001229138662 942424499 /nfs/dbraw/zinc/42/44/99/942424499.db2.gz BQPOCWRAVYXRCN-ZCFIWIBFSA-N -1 1 275.098 1.831 20 0 CDADMM O=C([O-])c1ccc(F)c(CN2CC[C@@H](O)[C@H](F)CC2)c1 ZINC001231457854 942901177 /nfs/dbraw/zinc/90/11/77/942901177.db2.gz YCSQOMDDVCZGGQ-CHWSQXEVSA-N -1 1 285.290 1.819 20 0 CDADMM CN1C[C@@H]2C[C@H]1CN2Cc1ccc(C(=O)[O-])s1 ZINC001231463997 942904921 /nfs/dbraw/zinc/90/49/21/942904921.db2.gz BFRIKIZMVHBIFQ-IUCAKERBSA-N -1 1 252.339 1.335 20 0 CDADMM Cc1n[nH]nc1C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001611227589 970945275 /nfs/dbraw/zinc/94/52/75/970945275.db2.gz VKNRBYXOMTYOLH-QMMMGPOBSA-N -1 1 268.317 1.122 20 0 CDADMM [O-]c1cccc(CN2CC[C@H](F)[C@H](O)C2)c1Cl ZINC001232784770 943391517 /nfs/dbraw/zinc/39/15/17/943391517.db2.gz TYOBACGGTIDYFX-GXSJLCMTSA-N -1 1 259.708 1.950 20 0 CDADMM CC(=O)[C@H]1CN(Cc2cc([O-])c(F)c(F)c2)CCO1 ZINC001232974401 943451163 /nfs/dbraw/zinc/45/11/63/943451163.db2.gz MVIIREOCEUSWBE-GFCCVEGCSA-N -1 1 271.263 1.460 20 0 CDADMM O=C1CCN(Cc2cc(Cl)ncc2[O-])C[C@@H]1F ZINC001233034136 943468686 /nfs/dbraw/zinc/46/86/86/943468686.db2.gz GFALTFDRKTXHGW-QMMMGPOBSA-N -1 1 258.680 1.554 20 0 CDADMM CO[C@H](C)C1CN(Cc2cc(Cl)ncc2[O-])C1 ZINC001233038390 943470632 /nfs/dbraw/zinc/47/06/32/943470632.db2.gz TWSZPOVLKWMCNQ-MRVPVSSYSA-N -1 1 256.733 1.907 20 0 CDADMM COC(=O)c1nc[n-]c(=O)c1O[C@H](C)C1CCOCC1 ZINC001233756207 943649697 /nfs/dbraw/zinc/64/96/97/943649697.db2.gz ITGURDSVBUPZBL-MRVPVSSYSA-N -1 1 282.296 1.163 20 0 CDADMM CSc1cc(C)c(C(=O)OCc2nn[n-]n2)o1 ZINC001525995218 971015647 /nfs/dbraw/zinc/01/56/47/971015647.db2.gz FLGNTUYCFJUOOP-UHFFFAOYSA-N -1 1 254.271 1.180 20 0 CDADMM C[N@H+]1CCC[C@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234333549 943804484 /nfs/dbraw/zinc/80/44/84/943804484.db2.gz XCICVLNHBPADLD-LBPRGKRZSA-N -1 1 287.252 1.631 20 0 CDADMM Cc1nc(C(N)=O)c(O[C@H](C)c2ccco2)c(=O)[n-]1 ZINC001234479192 943863374 /nfs/dbraw/zinc/86/33/74/943863374.db2.gz XKNYMDSPXFXDKT-ZCFIWIBFSA-N -1 1 263.253 1.323 20 0 CDADMM COC(=O)c1nc(C)[n-]c(=O)c1O[C@@H]1CCC(F)(F)C1 ZINC001234562596 943894167 /nfs/dbraw/zinc/89/41/67/943894167.db2.gz QEZOXIRACLEHKX-SSDOTTSWSA-N -1 1 288.250 1.844 20 0 CDADMM CC[C@@H](C(=O)Nc1cc(C(=O)[O-])cnc1C)N(C)C ZINC001263632422 943924328 /nfs/dbraw/zinc/92/43/28/943924328.db2.gz OTORBKZWFVSLBC-NSHDSACASA-N -1 1 265.313 1.367 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCC[C@](C)(F)C1 ZINC001263836407 943996192 /nfs/dbraw/zinc/99/61/92/943996192.db2.gz ZGGIJIPASQXPJV-LBPRGKRZSA-N -1 1 285.344 1.744 20 0 CDADMM O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccc([O-])cn1 ZINC001362236026 971052226 /nfs/dbraw/zinc/05/22/26/971052226.db2.gz YXVNSKZPROBXLZ-KGLIPLIRSA-N -1 1 270.288 1.175 20 0 CDADMM Cc1nocc1C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001258948462 945455027 /nfs/dbraw/zinc/45/50/27/945455027.db2.gz SGDNBQGDJKBSDP-UHFFFAOYSA-N -1 1 288.275 1.740 20 0 CDADMM O=S(=O)([N-]c1cnccc1OC(F)F)C1CC1 ZINC001259271811 945525976 /nfs/dbraw/zinc/52/59/76/945525976.db2.gz TXNPPLPXRDUNBQ-UHFFFAOYSA-N -1 1 264.253 1.587 20 0 CDADMM O=S(=O)([N-]c1cc(F)cc(F)c1CO)C1CC1 ZINC001259277064 945531789 /nfs/dbraw/zinc/53/17/89/945531789.db2.gz UXMOEVPCGFJVAJ-UHFFFAOYSA-N -1 1 263.265 1.361 20 0 CDADMM O=S(=O)([N-][C@H]1CC1(F)F)c1cc(F)cc(F)c1 ZINC001259313415 945559580 /nfs/dbraw/zinc/55/95/80/945559580.db2.gz ZFYYZGZHOPDFGW-QMMMGPOBSA-N -1 1 269.219 1.651 20 0 CDADMM O=S(=O)([N-]C[C@H](O)CF)c1cccc(Cl)c1F ZINC001259473849 945577616 /nfs/dbraw/zinc/57/76/16/945577616.db2.gz OHWWSVXUNZTQPS-ZCFIWIBFSA-N -1 1 285.699 1.088 20 0 CDADMM O=S(=O)([N-][C@@H]1C[C@H]1F)c1cc(F)c(F)c(F)c1 ZINC001259503156 945585859 /nfs/dbraw/zinc/58/58/59/945585859.db2.gz JTYIWYITUAIODU-SVGQVSJJSA-N -1 1 269.219 1.493 20 0 CDADMM COC(=O)[C@H]([N-]S(=O)(=O)C1CCCC1)c1ccccn1 ZINC001259803836 945641751 /nfs/dbraw/zinc/64/17/51/945641751.db2.gz IEYIFMKOCGMNSB-GFCCVEGCSA-N -1 1 298.364 1.158 20 0 CDADMM CC(C)CS(=O)(=O)[N-]c1cccc2c1OCC(=O)N2 ZINC001259885069 945681151 /nfs/dbraw/zinc/68/11/51/945681151.db2.gz XOXWRMAZFXMBFX-UHFFFAOYSA-N -1 1 284.337 1.415 20 0 CDADMM CCc1cccc([N-]S(=O)(=O)C2CCOCC2)n1 ZINC001259908484 945696445 /nfs/dbraw/zinc/69/64/45/945696445.db2.gz QBFFXRROOQBPHO-UHFFFAOYSA-N -1 1 270.354 1.565 20 0 CDADMM COc1ncc([N-]S(=O)(=O)C(F)F)cc1C ZINC001259950306 945727776 /nfs/dbraw/zinc/72/77/76/945727776.db2.gz NETRYCAGVXDCJA-UHFFFAOYSA-N -1 1 252.242 1.363 20 0 CDADMM COc1cccc([C@H](C)[N-]S(=O)(=O)C(F)F)c1 ZINC001259960801 945752313 /nfs/dbraw/zinc/75/23/13/945752313.db2.gz MIEPBTWPGRTQFZ-ZETCQYMHSA-N -1 1 265.281 1.898 20 0 CDADMM O=S(=O)([N-]Cc1ccnc(C(F)(F)F)c1)C(F)F ZINC001259965013 945758920 /nfs/dbraw/zinc/75/89/20/945758920.db2.gz RMFHZJZFEOFGRQ-UHFFFAOYSA-N -1 1 290.213 1.742 20 0 CDADMM O=S(=O)([N-]C[C@@H]1CCO1)c1cc(Cl)c(F)cc1F ZINC001260206190 945807916 /nfs/dbraw/zinc/80/79/16/945807916.db2.gz FYRXWHQKYXWDRU-LURJTMIESA-N -1 1 297.710 1.685 20 0 CDADMM CS(=O)(=O)c1ccnc(-c2ccc([O-])c(F)c2)n1 ZINC001240783547 946032286 /nfs/dbraw/zinc/03/22/86/946032286.db2.gz ULDSYCNTWQPIPQ-UHFFFAOYSA-N -1 1 268.269 1.392 20 0 CDADMM COCCn1nccc(-c2ccc([O-])c(F)c2)c1=O ZINC001240790965 946035907 /nfs/dbraw/zinc/03/59/07/946035907.db2.gz SUMUVSLQAIFSEQ-UHFFFAOYSA-N -1 1 264.256 1.401 20 0 CDADMM COC(=O)c1nc2ccc(-c3cnn(C4COC4)c3)nc2[nH]1 ZINC001240789640 946038111 /nfs/dbraw/zinc/03/81/11/946038111.db2.gz CONSXFMHFBHUHW-UHFFFAOYSA-N -1 1 299.290 1.179 20 0 CDADMM COC(=O)c1nc2ccc(-c3cnn(C4COC4)c3)nc2[n-]1 ZINC001240789640 946038117 /nfs/dbraw/zinc/03/81/17/946038117.db2.gz CONSXFMHFBHUHW-UHFFFAOYSA-N -1 1 299.290 1.179 20 0 CDADMM OCc1cc(-c2ccc(-c3nnn[n-]3)nc2)ccc1F ZINC001241790110 946468323 /nfs/dbraw/zinc/46/83/23/946468323.db2.gz TZCDLTNXUGXIRN-UHFFFAOYSA-N -1 1 271.255 1.560 20 0 CDADMM OCc1cc(-c2ccc(-c3nn[n-]n3)nc2)ccc1F ZINC001241790110 946468331 /nfs/dbraw/zinc/46/83/31/946468331.db2.gz TZCDLTNXUGXIRN-UHFFFAOYSA-N -1 1 271.255 1.560 20 0 CDADMM CCC(CC)(NC(=O)c1cc(F)ccc1F)c1nn[n-]n1 ZINC001362420398 971252643 /nfs/dbraw/zinc/25/26/43/971252643.db2.gz BTJXMYJNXOXJCL-UHFFFAOYSA-N -1 1 295.293 1.923 20 0 CDADMM Cc1nc(-c2cccc(CC(=O)[O-])c2)nc2nc[nH]c21 ZINC001242261786 946645037 /nfs/dbraw/zinc/64/50/37/946645037.db2.gz MVPUXUCZFOQCLW-UHFFFAOYSA-N -1 1 268.276 1.907 20 0 CDADMM CN1CCN(c2cc(-c3cccc(F)c3[O-])ncn2)CC1 ZINC001242348977 946687958 /nfs/dbraw/zinc/68/79/58/946687958.db2.gz CCNGUXXUCORHQG-UHFFFAOYSA-N -1 1 288.326 1.740 20 0 CDADMM NC(=O)c1ccc(C(=O)Nc2cc([O-])c(F)cc2F)cn1 ZINC001362514654 971359745 /nfs/dbraw/zinc/35/97/45/971359745.db2.gz LZXYSERZCLDFNR-UHFFFAOYSA-N -1 1 293.229 1.417 20 0 CDADMM Cn1cc(-c2ccc(-c3nnn[n-]3)nc2)c2ccncc21 ZINC001245489716 947704383 /nfs/dbraw/zinc/70/43/83/947704383.db2.gz MPQQPRLMGPDOSQ-UHFFFAOYSA-N -1 1 277.291 1.815 20 0 CDADMM Cn1cc(-c2ccc(-c3nn[n-]n3)nc2)c2ccncc21 ZINC001245489716 947704388 /nfs/dbraw/zinc/70/43/88/947704388.db2.gz MPQQPRLMGPDOSQ-UHFFFAOYSA-N -1 1 277.291 1.815 20 0 CDADMM O=C([O-])c1ccc(-c2cc(O)c(F)c(F)c2F)nn1 ZINC001245635015 947784701 /nfs/dbraw/zinc/78/47/01/947784701.db2.gz JYISKVBTIVGOAX-UHFFFAOYSA-N -1 1 270.166 1.965 20 0 CDADMM NC(=O)c1nccnc1-c1c(F)ccc([O-])c1Cl ZINC001245826938 947819072 /nfs/dbraw/zinc/81/90/72/947819072.db2.gz IORUIBUOJMQIEE-UHFFFAOYSA-N -1 1 267.647 1.741 20 0 CDADMM NC(=O)c1ncc(-c2c(F)ccc([O-])c2Cl)cn1 ZINC001245832458 947820290 /nfs/dbraw/zinc/82/02/90/947820290.db2.gz YJCNGJGSXOVSJA-UHFFFAOYSA-N -1 1 267.647 1.741 20 0 CDADMM [O-]c1cc(OCCO)ccc1-c1nnc([C@H]2CCOC2)o1 ZINC001255624702 948039834 /nfs/dbraw/zinc/03/98/34/948039834.db2.gz VAIRTDUZEOABMI-VIFPVBQESA-N -1 1 292.291 1.317 20 0 CDADMM CCC(CC)(NC(=O)Cc1ccsc1C)c1nn[n-]n1 ZINC001362626462 971469699 /nfs/dbraw/zinc/46/96/99/971469699.db2.gz SIYBRZRLJXSVGJ-UHFFFAOYSA-N -1 1 293.396 1.944 20 0 CDADMM CCC(CC)(NC(=O)[C@@H](CC(C)C)OC)c1nn[n-]n1 ZINC001362628088 971471555 /nfs/dbraw/zinc/47/15/55/971471555.db2.gz YQVFXZBJXRJPCV-SNVBAGLBSA-N -1 1 283.376 1.392 20 0 CDADMM CC[C@@H](N[C@@H](c1nnc[nH]1)c1ccccc1)C(=O)[O-] ZINC001589568060 948884529 /nfs/dbraw/zinc/88/45/29/948884529.db2.gz JKZWSPJHKZEMTM-GHMZBOCLSA-N -1 1 260.297 1.347 20 0 CDADMM Cc1[nH]ncc1CCCNC(=O)N(C)CCCC(=O)[O-] ZINC000050183895 948915507 /nfs/dbraw/zinc/91/55/07/948915507.db2.gz AWAIIULOSRAPMV-UHFFFAOYSA-N -1 1 282.344 1.157 20 0 CDADMM C[C@H]1CN(C(=O)c2cnc(C3CC3)[nH]2)CC[C@H]1C(=O)[O-] ZINC001650013889 1169607881 /nfs/dbraw/zinc/60/78/81/1169607881.db2.gz QJCHJWYPWNFAPW-WCBMZHEXSA-N -1 1 277.324 1.470 20 0 CDADMM O=C([O-])c1ccccc1OCCN1CC[C@]12CCOC2 ZINC001595257466 949630539 /nfs/dbraw/zinc/63/05/39/949630539.db2.gz HUFXNKRAPPGCBY-OAHLLOKOSA-N -1 1 277.320 1.628 20 0 CDADMM CN(C)c1nc(Nc2ccccc2CC(N)=O)cc(=O)[n-]1 ZINC001249599376 949698688 /nfs/dbraw/zinc/69/86/88/949698688.db2.gz VZEYPESGXPNWJI-UHFFFAOYSA-N -1 1 287.323 1.020 20 0 CDADMM Cc1c(N)c(F)ccc1Nc1c(N)[nH]c(=S)[n-]c1=O ZINC001249634557 949721822 /nfs/dbraw/zinc/72/18/22/949721822.db2.gz WEWMSABHGUVEKO-UHFFFAOYSA-N -1 1 281.316 1.826 20 0 CDADMM CC(C)S(=O)(=O)CCN1CCC[C@H](CCC(=O)[O-])C1 ZINC000232737104 949785794 /nfs/dbraw/zinc/78/57/94/949785794.db2.gz QZNWNXPXCZYSGM-GFCCVEGCSA-N -1 1 291.413 1.386 20 0 CDADMM O=C(c1ocnc1C1CC1)N1CCC(c2nn[n-]n2)CC1 ZINC001362794498 971625213 /nfs/dbraw/zinc/62/52/13/971625213.db2.gz HUBTZGWJMXTFMQ-UHFFFAOYSA-N -1 1 288.311 1.085 20 0 CDADMM CN1CCN(CCCc2c(F)cc(C(=O)[O-])cc2F)CC1 ZINC001250230105 950038432 /nfs/dbraw/zinc/03/84/32/950038432.db2.gz APHQPTZZGSLQAX-UHFFFAOYSA-N -1 1 298.333 1.843 20 0 CDADMM COC(=O)c1ccc([N-]c2nonc2OC)cc1N ZINC001250333915 950121639 /nfs/dbraw/zinc/12/16/39/950121639.db2.gz ORAUQPYJJOJNEQ-UHFFFAOYSA-N -1 1 264.241 1.191 20 0 CDADMM NS(=O)(=O)c1ccc(-c2cc(F)cc(F)c2[O-])cc1 ZINC001250631411 950282008 /nfs/dbraw/zinc/28/20/08/950282008.db2.gz RWFGWYVBEWSFQC-UHFFFAOYSA-N -1 1 285.271 1.985 20 0 CDADMM CN(C)S(=O)(=O)[N-]c1csc(Br)n1 ZINC001251055847 950585529 /nfs/dbraw/zinc/58/55/29/950585529.db2.gz JECMDGHHBVGIIB-UHFFFAOYSA-N -1 1 286.176 1.124 20 0 CDADMM CCOC(=O)c1c(C)n[nH]c1C[N@H+](CC(=O)[O-])CC1CC1 ZINC001591088526 951053202 /nfs/dbraw/zinc/05/32/02/951053202.db2.gz VWQGDQCTBSDMTK-UHFFFAOYSA-N -1 1 295.339 1.191 20 0 CDADMM CCOC(=O)c1c(C)n[nH]c1CN(CC(=O)[O-])CC1CC1 ZINC001591088526 951053211 /nfs/dbraw/zinc/05/32/11/951053211.db2.gz VWQGDQCTBSDMTK-UHFFFAOYSA-N -1 1 295.339 1.191 20 0 CDADMM O=S(=O)([N-]c1cc(F)cc(F)c1O)C(F)(F)F ZINC001252364226 951218688 /nfs/dbraw/zinc/21/86/88/951218688.db2.gz CTEYEEWHLNLIRZ-UHFFFAOYSA-N -1 1 277.170 1.932 20 0 CDADMM CC(C)(C)N1CC[C@@H]1C(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC001602869002 971739146 /nfs/dbraw/zinc/73/91/46/971739146.db2.gz WMWUHEWHUMUDCR-YGRLFVJLSA-N -1 1 268.357 1.325 20 0 CDADMM CO[C@@H](CNCc1ncc(C(=O)[O-])s1)C(C)C ZINC000381753058 971775327 /nfs/dbraw/zinc/77/53/27/971775327.db2.gz FECXEHUOVJCLCA-QMMMGPOBSA-N -1 1 258.343 1.602 20 0 CDADMM CCS(=O)(=O)[N-]c1c(C)c(OC)ccc1C(C)=O ZINC001253355513 951857504 /nfs/dbraw/zinc/85/75/04/951857504.db2.gz POMYNTQLKBCXDD-UHFFFAOYSA-N -1 1 271.338 1.968 20 0 CDADMM CCCCS(=O)(=O)[N-]c1cc(NC(C)=O)ccc1O ZINC001253879164 952149218 /nfs/dbraw/zinc/14/92/18/952149218.db2.gz MECTZQXWFAVVKM-UHFFFAOYSA-N -1 1 286.353 1.892 20 0 CDADMM Nc1nccc2c1CN(C(=O)c1ccc([O-])cc1F)CC2 ZINC001363506707 953391715 /nfs/dbraw/zinc/39/17/15/953391715.db2.gz FWZCEOMNYIAXAE-UHFFFAOYSA-N -1 1 287.294 1.707 20 0 CDADMM C[C@@](O)(CNC(=O)c1ccc([O-])cn1)c1cccc(F)c1 ZINC001363520769 953409340 /nfs/dbraw/zinc/40/93/40/953409340.db2.gz BNKCLGJTBSAFFM-OAHLLOKOSA-N -1 1 290.294 1.564 20 0 CDADMM CCc1[nH]ncc1C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001593625511 953546625 /nfs/dbraw/zinc/54/66/25/953546625.db2.gz CFKLJAOOZZQMQC-UHFFFAOYSA-N -1 1 260.253 1.318 20 0 CDADMM COC(=O)[C@@H](NC(=O)c1ccc([O-])cn1)c1ccccc1 ZINC001363656006 953613605 /nfs/dbraw/zinc/61/36/05/953613605.db2.gz CRCVOWXOYRCWPH-ZDUSSCGKSA-N -1 1 286.287 1.431 20 0 CDADMM CCc1nnc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)[nH]1 ZINC001593647580 953684598 /nfs/dbraw/zinc/68/45/98/953684598.db2.gz OPQOZXRXMIXSEW-GFCCVEGCSA-N -1 1 264.285 1.117 20 0 CDADMM CCc1n[nH]c(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)n1 ZINC001593647580 953684611 /nfs/dbraw/zinc/68/46/11/953684611.db2.gz OPQOZXRXMIXSEW-GFCCVEGCSA-N -1 1 264.285 1.117 20 0 CDADMM CCn1nc(C)c(CNCCc2nc(C(=O)[O-])cs2)n1 ZINC001333136182 953779419 /nfs/dbraw/zinc/77/94/19/953779419.db2.gz FXPUHNGXMRQWLJ-UHFFFAOYSA-N -1 1 295.368 1.093 20 0 CDADMM CCn1nncc1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001593673736 953895181 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CC1(C)CN(CCNC(=O)c2ccc([O-])c(F)c2)CCO1 ZINC000681038275 482665176 /nfs/dbraw/zinc/66/51/76/482665176.db2.gz WGOKEDDJPSRWGQ-UHFFFAOYSA-N -1 1 296.342 1.372 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000681041278 482667539 /nfs/dbraw/zinc/66/75/39/482667539.db2.gz FHXPLYCCBYXWGE-LLVKDONJSA-N -1 1 290.298 1.600 20 0 CDADMM C[C@H](CNC(=O)c1cc(=O)n(C)[n-]1)[N@H+]1CCCC[C@H]1C ZINC000666378068 482672817 /nfs/dbraw/zinc/67/28/17/482672817.db2.gz CNMIKLOARBKYMQ-GHMZBOCLSA-N -1 1 280.372 1.118 20 0 CDADMM CN(C(=O)c1cncc([O-])c1)[C@@H]1CCCc2c1cnn2C ZINC000684191530 482684575 /nfs/dbraw/zinc/68/45/75/482684575.db2.gz QUUOOONEPFHKKT-CYBMUJFWSA-N -1 1 286.335 1.670 20 0 CDADMM COc1ccnc(CN2CCCC[C@@H]2CC(=O)[O-])c1OC ZINC000232197520 482737090 /nfs/dbraw/zinc/73/70/90/482737090.db2.gz GPWOQVDCIVYBNB-LLVKDONJSA-N -1 1 294.351 1.928 20 0 CDADMM Cc1csc2nc(C)nc(NCc3nn[n-]n3)c12 ZINC000681231744 482756982 /nfs/dbraw/zinc/75/69/82/482756982.db2.gz YZZVCGNCRHYJDD-UHFFFAOYSA-N -1 1 261.314 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/nfs/dbraw/zinc/54/70/21/606547021.db2.gz AQEYDWLLDCRGAB-MRVPVSSYSA-N -1 1 293.352 1.179 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CCCO1 ZINC000820740928 606547022 /nfs/dbraw/zinc/54/70/22/606547022.db2.gz AQEYDWLLDCRGAB-MRVPVSSYSA-N -1 1 293.352 1.179 20 0 CDADMM COC(C)(C)c1noc(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000821673777 606637817 /nfs/dbraw/zinc/63/78/17/606637817.db2.gz LGGKDYOVNVOKIB-UHFFFAOYSA-N -1 1 287.283 1.193 20 0 CDADMM COC(C)(C)c1noc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000821673777 606637818 /nfs/dbraw/zinc/63/78/18/606637818.db2.gz LGGKDYOVNVOKIB-UHFFFAOYSA-N -1 1 287.283 1.193 20 0 CDADMM CCc1noc(CC)c1CNc1cccc(-c2nnn[n-]2)n1 ZINC000821558674 606724855 /nfs/dbraw/zinc/72/48/55/606724855.db2.gz DFVKNDVJYJZGEA-UHFFFAOYSA-N -1 1 299.338 1.987 20 0 CDADMM CCc1noc(CC)c1CNc1cccc(-c2nn[n-]n2)n1 ZINC000821558674 606724856 /nfs/dbraw/zinc/72/48/56/606724856.db2.gz DFVKNDVJYJZGEA-UHFFFAOYSA-N -1 1 299.338 1.987 20 0 CDADMM CC(C)(C)[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819907958 607159118 /nfs/dbraw/zinc/15/91/18/607159118.db2.gz UWGHWSSGRNVMPL-SECBINFHSA-N -1 1 295.368 1.065 20 0 CDADMM CC(C)(C)[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819907958 607159120 /nfs/dbraw/zinc/15/91/20/607159120.db2.gz UWGHWSSGRNVMPL-SECBINFHSA-N -1 1 295.368 1.065 20 0 CDADMM c1csc(CNc2cccc(-c3nnn[n-]3)n2)n1 ZINC000095147471 607895945 /nfs/dbraw/zinc/89/59/45/607895945.db2.gz SYOVOOAFLIGFPG-UHFFFAOYSA-N -1 1 259.298 1.330 20 0 CDADMM c1csc(CNc2cccc(-c3nn[n-]n3)n2)n1 ZINC000095147471 607895946 /nfs/dbraw/zinc/89/59/46/607895946.db2.gz SYOVOOAFLIGFPG-UHFFFAOYSA-N -1 1 259.298 1.330 20 0 CDADMM CC(C)n1cc(Nc2cccc(-c3nnn[n-]3)n2)cn1 ZINC000095201815 607897616 /nfs/dbraw/zinc/89/76/16/607897616.db2.gz NFSCDVWDFIBFGT-UHFFFAOYSA-N -1 1 270.300 1.783 20 0 CDADMM CC(C)n1cc(Nc2cccc(-c3nn[n-]n3)n2)cn1 ZINC000095201815 607897617 /nfs/dbraw/zinc/89/76/17/607897617.db2.gz NFSCDVWDFIBFGT-UHFFFAOYSA-N -1 1 270.300 1.783 20 0 CDADMM Cc1nnc([C@H](C)Nc2cccc(-c3nnn[n-]3)n2)o1 ZINC000826335248 607902270 /nfs/dbraw/zinc/90/22/70/607902270.db2.gz FFLBLGHAVLHXGO-LURJTMIESA-N -1 1 272.272 1.126 20 0 CDADMM Cc1nnc([C@H](C)Nc2cccc(-c3nn[n-]n3)n2)o1 ZINC000826335248 607902271 /nfs/dbraw/zinc/90/22/71/607902271.db2.gz FFLBLGHAVLHXGO-LURJTMIESA-N -1 1 272.272 1.126 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cn[nH]c1 ZINC000824513658 607955563 /nfs/dbraw/zinc/95/55/63/607955563.db2.gz FKEZVVLYZYPCBV-LURJTMIESA-N -1 1 289.324 1.142 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cn[nH]c1 ZINC000824513658 607955564 /nfs/dbraw/zinc/95/55/64/607955564.db2.gz FKEZVVLYZYPCBV-LURJTMIESA-N -1 1 289.324 1.142 20 0 CDADMM COc1ccccc1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826219872 607987882 /nfs/dbraw/zinc/98/78/82/607987882.db2.gz UIRXEEBIPSLYMJ-UHFFFAOYSA-N -1 1 297.322 1.320 20 0 CDADMM COc1ccccc1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826219872 607987883 /nfs/dbraw/zinc/98/78/83/607987883.db2.gz UIRXEEBIPSLYMJ-UHFFFAOYSA-N -1 1 297.322 1.320 20 0 CDADMM c1ccc(Sc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826522748 607988085 /nfs/dbraw/zinc/98/80/85/607988085.db2.gz MQZOKDXEVQWERI-UHFFFAOYSA-N -1 1 256.294 1.808 20 0 CDADMM c1ccc(Sc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826522748 607988086 /nfs/dbraw/zinc/98/80/86/607988086.db2.gz MQZOKDXEVQWERI-UHFFFAOYSA-N -1 1 256.294 1.808 20 0 CDADMM CC(C)(C)c1nc(Cn2ccnc2-c2nnn[n-]2)cs1 ZINC000824141496 608012606 /nfs/dbraw/zinc/01/26/06/608012606.db2.gz IHXKQLQPZMRSLS-UHFFFAOYSA-N -1 1 289.368 1.866 20 0 CDADMM CC(C)(C)c1nc(Cn2ccnc2-c2nn[n-]n2)cs1 ZINC000824141496 608012607 /nfs/dbraw/zinc/01/26/07/608012607.db2.gz IHXKQLQPZMRSLS-UHFFFAOYSA-N -1 1 289.368 1.866 20 0 CDADMM c1cc2c(s1)CN(c1nccnc1-c1nnn[n-]1)CC2 ZINC000826525448 608019503 /nfs/dbraw/zinc/01/95/03/608019503.db2.gz KYOHXQDZQOAWDJ-UHFFFAOYSA-N -1 1 285.336 1.281 20 0 CDADMM c1cc2c(s1)CN(c1nccnc1-c1nn[n-]n1)CC2 ZINC000826525448 608019504 /nfs/dbraw/zinc/01/95/04/608019504.db2.gz KYOHXQDZQOAWDJ-UHFFFAOYSA-N -1 1 285.336 1.281 20 0 CDADMM CC1(C)OC[C@@H](COc2cccc(F)c2-c2nnn[n-]2)O1 ZINC000824816805 608144115 /nfs/dbraw/zinc/14/41/15/608144115.db2.gz IEYMQFNJRSIHDN-MRVPVSSYSA-N -1 1 294.286 1.536 20 0 CDADMM CC1(C)OC[C@@H](COc2cccc(F)c2-c2nn[n-]n2)O1 ZINC000824816805 608144116 /nfs/dbraw/zinc/14/41/16/608144116.db2.gz IEYMQFNJRSIHDN-MRVPVSSYSA-N -1 1 294.286 1.536 20 0 CDADMM CC(C)[C@@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000824217059 608242638 /nfs/dbraw/zinc/24/26/38/608242638.db2.gz XQWKHMURZDFVKU-PWSUYJOCSA-N -1 1 288.355 1.877 20 0 CDADMM CC(C)[C@@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000824217059 608242639 /nfs/dbraw/zinc/24/26/39/608242639.db2.gz XQWKHMURZDFVKU-PWSUYJOCSA-N -1 1 288.355 1.877 20 0 CDADMM CC(C)(CCCO)CNc1cccc(-c2nnn[n-]2)n1 ZINC000824152523 608244143 /nfs/dbraw/zinc/24/41/43/608244143.db2.gz GCICIAQIQCJNNY-UHFFFAOYSA-N -1 1 276.344 1.472 20 0 CDADMM CC(C)(CCCO)CNc1cccc(-c2nn[n-]n2)n1 ZINC000824152523 608244144 /nfs/dbraw/zinc/24/41/44/608244144.db2.gz GCICIAQIQCJNNY-UHFFFAOYSA-N -1 1 276.344 1.472 20 0 CDADMM C[C@]1(Nc2cccc(-c3nnn[n-]3)n2)CCCOC1 ZINC000824839074 608244910 /nfs/dbraw/zinc/24/49/10/608244910.db2.gz YEZQGIAQNUTXKZ-LBPRGKRZSA-N -1 1 260.301 1.243 20 0 CDADMM C[C@]1(Nc2cccc(-c3nn[n-]n3)n2)CCCOC1 ZINC000824839074 608244911 /nfs/dbraw/zinc/24/49/11/608244911.db2.gz YEZQGIAQNUTXKZ-LBPRGKRZSA-N -1 1 260.301 1.243 20 0 CDADMM COc1ccc(C=O)cc1Oc1ccc(-c2nnn[n-]2)nn1 ZINC000826190812 608388561 /nfs/dbraw/zinc/38/85/61/608388561.db2.gz NYGNLACCBACILD-UHFFFAOYSA-N -1 1 298.262 1.270 20 0 CDADMM COc1ccc(C=O)cc1Oc1ccc(-c2nn[n-]n2)nn1 ZINC000826190812 608388563 /nfs/dbraw/zinc/38/85/63/608388563.db2.gz NYGNLACCBACILD-UHFFFAOYSA-N -1 1 298.262 1.270 20 0 CDADMM COc1ccc(Sc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826211814 608389884 /nfs/dbraw/zinc/38/98/84/608389884.db2.gz VRQRYVWJXHYGMD-UHFFFAOYSA-N -1 1 286.320 1.817 20 0 CDADMM COc1ccc(Sc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826211814 608389886 /nfs/dbraw/zinc/38/98/86/608389886.db2.gz VRQRYVWJXHYGMD-UHFFFAOYSA-N -1 1 286.320 1.817 20 0 CDADMM Cc1ccc2c(c1)[C@H](Nc1ccc(-c3nnn[n-]3)nn1)CO2 ZINC000826294291 608433239 /nfs/dbraw/zinc/43/32/39/608433239.db2.gz NQRXJWIEVOWTTI-LLVKDONJSA-N -1 1 295.306 1.511 20 0 CDADMM Cc1ccc2c(c1)[C@H](Nc1ccc(-c3nn[n-]n3)nn1)CO2 ZINC000826294291 608433240 /nfs/dbraw/zinc/43/32/40/608433240.db2.gz NQRXJWIEVOWTTI-LLVKDONJSA-N -1 1 295.306 1.511 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1N[C@H]1CC2CCC1CC2 ZINC000826514218 608435119 /nfs/dbraw/zinc/43/51/19/608435119.db2.gz KUIMLVMSLTZXGZ-AMUVOQDHSA-N -1 1 271.328 1.647 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1N[C@H]1CC2CCC1CC2 ZINC000826514218 608435121 /nfs/dbraw/zinc/43/51/21/608435121.db2.gz KUIMLVMSLTZXGZ-AMUVOQDHSA-N -1 1 271.328 1.647 20 0 CDADMM Fc1ccc2c(c1)CCN(c1cccc(-c3nn[n-]n3)n1)C2 ZINC000826375936 608560403 /nfs/dbraw/zinc/56/04/03/608560403.db2.gz IFCYSJXMFJURAE-UHFFFAOYSA-N -1 1 296.309 1.964 20 0 CDADMM Fc1ccc2c(c1)CCN(c1cccc(-c3nnn[n-]3)n1)C2 ZINC000826375936 608560402 /nfs/dbraw/zinc/56/04/02/608560402.db2.gz IFCYSJXMFJURAE-UHFFFAOYSA-N -1 1 296.309 1.964 20 0 CDADMM CC(C)(F)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824161877 608624579 /nfs/dbraw/zinc/62/45/79/608624579.db2.gz ADWNYDHNDLRRLS-UHFFFAOYSA-N -1 1 265.248 1.259 20 0 CDADMM c1cn(Cc2cc3ccccc3o2)c(-c2nnn[n-]2)n1 ZINC000826524435 608891824 /nfs/dbraw/zinc/89/18/24/608891824.db2.gz VIFGCURHNILWOK-UHFFFAOYSA-N -1 1 266.264 1.858 20 0 CDADMM c1cn(Cc2cc3ccccc3o2)c(-c2nn[n-]n2)n1 ZINC000826524435 608891827 /nfs/dbraw/zinc/89/18/27/608891827.db2.gz VIFGCURHNILWOK-UHFFFAOYSA-N -1 1 266.264 1.858 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C[C@H](C)O1 ZINC000820743314 609259437 /nfs/dbraw/zinc/25/94/37/609259437.db2.gz SYGUEOCGWYCRJR-OCAPTIKFSA-N -1 1 293.352 1.178 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C[C@H](C)O1 ZINC000820743314 609259439 /nfs/dbraw/zinc/25/94/39/609259439.db2.gz SYGUEOCGWYCRJR-OCAPTIKFSA-N -1 1 293.352 1.178 20 0 CDADMM c1c[nH]c([C@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)n1 ZINC000826514537 609386808 /nfs/dbraw/zinc/38/68/08/609386808.db2.gz VHICDTQUYBZKGK-SNVBAGLBSA-N -1 1 282.311 1.326 20 0 CDADMM c1c[nH]c([C@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)n1 ZINC000826514537 609386809 /nfs/dbraw/zinc/38/68/09/609386809.db2.gz VHICDTQUYBZKGK-SNVBAGLBSA-N -1 1 282.311 1.326 20 0 CDADMM N[C@H](C(=O)[N-]OCC(F)(F)F)c1cccc(Cl)c1 ZINC000843449963 617332531 /nfs/dbraw/zinc/33/25/31/617332531.db2.gz BQLMBVNSHOVMSH-QMMMGPOBSA-N -1 1 282.649 1.950 20 0 CDADMM CC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)c1ncccc1[O-] ZINC000962945237 613511963 /nfs/dbraw/zinc/51/19/63/613511963.db2.gz MSCGZKKUUDRJJB-VXGBXAGGSA-N -1 1 289.335 1.013 20 0 CDADMM CC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C(C)(C)C1 ZINC000967007704 613547804 /nfs/dbraw/zinc/54/78/04/613547804.db2.gz CKYOJUBWMFTJTF-LBPRGKRZSA-N -1 1 291.351 1.164 20 0 CDADMM COCc1nc(N(C)Cc2ccc(OC)cc2)cc(=O)[n-]1 ZINC000891466219 617423348 /nfs/dbraw/zinc/42/33/48/617423348.db2.gz JWABCKCABSVVOU-UHFFFAOYSA-N -1 1 289.335 1.974 20 0 CDADMM CC[C@]1(C(=O)Nc2ccc([O-])c(Cl)c2)CCNC1=O ZINC000866868617 617443862 /nfs/dbraw/zinc/44/38/62/617443862.db2.gz MJLSGJLPFYEYQJ-ZDUSSCGKSA-N -1 1 282.727 1.900 20 0 CDADMM C[C@@H](C(=O)[N-]OC[C@@H]1CCOC1)c1cccc(O)c1 ZINC000935593662 617460194 /nfs/dbraw/zinc/46/01/94/617460194.db2.gz KWFKKLFNPLECNQ-GHMZBOCLSA-N -1 1 265.309 1.580 20 0 CDADMM CCCC(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000949739167 614771643 /nfs/dbraw/zinc/77/16/43/614771643.db2.gz TYACTUVVYKLCLP-NSHDSACASA-N -1 1 291.351 1.308 20 0 CDADMM COCC1(CC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CC1 ZINC000891616306 617505136 /nfs/dbraw/zinc/50/51/36/617505136.db2.gz ZYKSUIWFUYKBDU-UHFFFAOYSA-N -1 1 291.351 1.816 20 0 CDADMM Cc1nonc1C(=O)[N-]c1ncsc1C1CC1 ZINC000893270209 617507041 /nfs/dbraw/zinc/50/70/41/617507041.db2.gz CJXIYBWQWMKJJS-UHFFFAOYSA-N -1 1 250.283 1.964 20 0 CDADMM COCc1nc(N[C@@H](C)c2cnn(C)c2)cc(=O)[n-]1 ZINC000892662993 617569513 /nfs/dbraw/zinc/56/95/13/617569513.db2.gz OEXKKXAJORWDLT-QMMMGPOBSA-N -1 1 263.301 1.235 20 0 CDADMM COC[C@@H](C)[C@@H](C)C(=O)Nc1cc(C(=O)OC(C)C)[nH]n1 ZINC000888119060 620750546 /nfs/dbraw/zinc/75/05/46/620750546.db2.gz RKNCYZMZTFEHBJ-NXEZZACHSA-N -1 1 297.355 1.832 20 0 CDADMM COCc1nc(NC[C@@]2(C)CCCC[C@H]2O)cc(=O)[n-]1 ZINC000892800129 617767127 /nfs/dbraw/zinc/76/71/27/617767127.db2.gz FSWWPFYLGQNNOJ-QMTHXVAHSA-N -1 1 281.356 1.682 20 0 CDADMM CO[C@@H]1COCC[C@H]1N(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000893835460 618069442 /nfs/dbraw/zinc/06/94/42/618069442.db2.gz MJCHLSCQGFSCOB-DGCLKSJQSA-N -1 1 299.754 1.922 20 0 CDADMM O=C(N[C@@H]1CC12CC(O)C2)c1c(F)ccc([O-])c1F ZINC000888954334 618075156 /nfs/dbraw/zinc/07/51/56/618075156.db2.gz ACJADJSHPVXDSP-RIUAISMDSA-N -1 1 269.247 1.314 20 0 CDADMM COCc1nc(NCCc2c(C)noc2C)cc(=O)[n-]1 ZINC000892401707 618153723 /nfs/dbraw/zinc/15/37/23/618153723.db2.gz KWISXMLMGNIVJU-UHFFFAOYSA-N -1 1 278.312 1.588 20 0 CDADMM O=C([O-])C[C@@H](NC(=O)c1[nH]nc2c1CCC2)C1CCCC1 ZINC000910561997 618261064 /nfs/dbraw/zinc/26/10/64/618261064.db2.gz AGDLEEVAJYAXLT-GFCCVEGCSA-N -1 1 291.351 1.662 20 0 CDADMM O=C([O-])C[C@@H](NC(=O)CCc1cnc[nH]1)C1CCCC1 ZINC000910566490 618265939 /nfs/dbraw/zinc/26/59/39/618265939.db2.gz HEKQOJYGJFZNGE-GFCCVEGCSA-N -1 1 279.340 1.492 20 0 CDADMM CC1CCN(CC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)CC1 ZINC000910558065 618297330 /nfs/dbraw/zinc/29/73/30/618297330.db2.gz AUIVVDJKEPZMRV-AWEZNQCLSA-N -1 1 296.411 1.868 20 0 CDADMM O=C([O-])C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CCCC1 ZINC000910561375 618305744 /nfs/dbraw/zinc/30/57/44/618305744.db2.gz ZFJUUQUIOWOLPI-IJLUTSLNSA-N -1 1 291.351 1.663 20 0 CDADMM CC[N@H+]1CCC[C@H](NC(=O)c2coc(/C=C/C(=O)[O-])c2)C1 ZINC000901956332 618395170 /nfs/dbraw/zinc/39/51/70/618395170.db2.gz CJPAXILKENJVGZ-FYJFLYSWSA-N -1 1 292.335 1.592 20 0 CDADMM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000901992814 618434749 /nfs/dbraw/zinc/43/47/49/618434749.db2.gz MMGGEWCIXNRGPE-BSJXLVFVSA-N -1 1 291.351 1.540 20 0 CDADMM CCC(CC)(CNC(=O)Cc1cc(C)n[nH]1)C(=O)[O-] ZINC000818326552 618506209 /nfs/dbraw/zinc/50/62/09/618506209.db2.gz ZQPAMKWUCRCTHZ-UHFFFAOYSA-N -1 1 267.329 1.268 20 0 CDADMM C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]cnc3C2)C[C@H]1CC(=O)[O-] ZINC000910861728 618551121 /nfs/dbraw/zinc/55/11/21/618551121.db2.gz WFUABEFCMNKOFU-GMTAPVOTSA-N -1 1 291.351 1.084 20 0 CDADMM CC(C)(C)CCCNC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000909415813 619127535 /nfs/dbraw/zinc/12/75/35/619127535.db2.gz XFFAYRFNJAJHTO-LBPRGKRZSA-N -1 1 284.400 1.726 20 0 CDADMM C[N@@H+](CC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)C1CCC1 ZINC000909492033 619396497 /nfs/dbraw/zinc/39/64/97/619396497.db2.gz SAYPBDZTHDDTBH-LBPRGKRZSA-N -1 1 296.411 1.820 20 0 CDADMM O=C([O-])C[C@H]1CCCCN1C(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000909496888 619409714 /nfs/dbraw/zinc/40/97/14/619409714.db2.gz JFQVEYRWJZVDNO-WDEREUQCSA-N -1 1 291.351 1.370 20 0 CDADMM CS(=O)(=O)CCc1nc(-c2ccc([O-])cc2F)no1 ZINC000896221768 620027431 /nfs/dbraw/zinc/02/74/31/620027431.db2.gz VSBZKQHDDPLZSS-UHFFFAOYSA-N -1 1 286.284 1.168 20 0 CDADMM CCN(CC)C(=O)CCC(=O)[N-]OCc1ccccn1 ZINC000909536975 620252107 /nfs/dbraw/zinc/25/21/07/620252107.db2.gz HSMBNCMJSQVHAZ-UHFFFAOYSA-N -1 1 279.340 1.278 20 0 CDADMM CCc1cnc(COC(=O)c2ccc(C(=O)OC)[n-]2)o1 ZINC000796343322 620294646 /nfs/dbraw/zinc/29/46/46/620294646.db2.gz DBRIRFQLYMUFHO-UHFFFAOYSA-N -1 1 278.264 1.709 20 0 CDADMM O=C([O-])C1(CNC(=O)c2cccc3nc[nH]c32)CC1 ZINC000909646469 620540171 /nfs/dbraw/zinc/54/01/71/620540171.db2.gz XCISQBROAGRKLG-UHFFFAOYSA-N -1 1 259.265 1.158 20 0 CDADMM C[C@@H](C(=O)NCc1nc([O-])cc(=O)[nH]1)c1ccsc1 ZINC000898757608 621861357 /nfs/dbraw/zinc/86/13/57/621861357.db2.gz RRFLEPIGJBWGBU-SSDOTTSWSA-N -1 1 279.321 1.369 20 0 CDADMM O=C(NCc1nc([O-])cc(=O)[nH]1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000898758159 621861753 /nfs/dbraw/zinc/86/17/53/621861753.db2.gz WWPZXXOYCHPHMD-GHMZBOCLSA-N -1 1 291.351 1.720 20 0 CDADMM CC(C)=C[C@H]1[C@H](C(=O)NCc2nc([O-])cc(=O)[nH]2)C1(C)C ZINC000898751619 621864355 /nfs/dbraw/zinc/86/43/55/621864355.db2.gz NJIWROVVMUXSNR-TVQRCGJNSA-N 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1 289.320 1.494 20 0 CDADMM COCc1noc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)n1 ZINC001606981021 1164046855 /nfs/dbraw/zinc/04/68/55/1164046855.db2.gz HVLBVPQSTFOLBO-VWYCJHECSA-N -1 1 295.339 1.291 20 0 CDADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CCCO1 ZINC001606994118 1164053440 /nfs/dbraw/zinc/05/34/40/1164053440.db2.gz PJLMDWKOWVENIH-UHFFFAOYSA-N -1 1 284.279 1.126 20 0 CDADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCCSC1 ZINC001607026440 1164063889 /nfs/dbraw/zinc/06/38/89/1164063889.db2.gz AINYHRMCBBMIAR-UHFFFAOYSA-N -1 1 281.366 1.465 20 0 CDADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCCSC1 ZINC001607026440 1164063891 /nfs/dbraw/zinc/06/38/91/1164063891.db2.gz AINYHRMCBBMIAR-UHFFFAOYSA-N -1 1 281.366 1.465 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1cccc(Cl)n1 ZINC001607090724 1164077766 /nfs/dbraw/zinc/07/77/66/1164077766.db2.gz WSFBYPHANJRASF-UHFFFAOYSA-N -1 1 288.698 1.125 20 0 CDADMM O[C@H]1C[C@@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001607109315 1164082741 /nfs/dbraw/zinc/08/27/41/1164082741.db2.gz IZTIZNPXSBVJHM-SYDPRGILSA-N -1 1 286.748 1.159 20 0 CDADMM OCC[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001607106553 1164087851 /nfs/dbraw/zinc/08/78/51/1164087851.db2.gz XMXUZHGCVZQLFB-NSHDSACASA-N -1 1 288.355 1.251 20 0 CDADMM OCC[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001607106553 1164087862 /nfs/dbraw/zinc/08/78/62/1164087862.db2.gz XMXUZHGCVZQLFB-NSHDSACASA-N -1 1 288.355 1.251 20 0 CDADMM c1ccc(C[C@@H]2C[C@@H]2Nc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001607129648 1164110899 /nfs/dbraw/zinc/11/08/99/1164110899.db2.gz NLHIAIRTLQOGSZ-OCCSQVGLSA-N -1 1 292.346 1.727 20 0 CDADMM c1ccc(C[C@@H]2C[C@@H]2Nc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001607129648 1164110903 /nfs/dbraw/zinc/11/09/03/1164110903.db2.gz NLHIAIRTLQOGSZ-OCCSQVGLSA-N -1 1 292.346 1.727 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NCC[C@@H]2CCCCO2)c1 ZINC001607133498 1164112043 /nfs/dbraw/zinc/11/20/43/1164112043.db2.gz IPZIGNUJXFICRH-JTQLQIEISA-N -1 1 274.328 1.633 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NCC[C@@H]2CCCCO2)c1 ZINC001607133498 1164112047 /nfs/dbraw/zinc/11/20/47/1164112047.db2.gz IPZIGNUJXFICRH-JTQLQIEISA-N -1 1 274.328 1.633 20 0 CDADMM c1nc(N2CC[C@H](C3CCC3)C2)cnc1-c1nnn[n-]1 ZINC001607137385 1164116291 /nfs/dbraw/zinc/11/62/91/1164116291.db2.gz RRSXHKPUHPRNRU-JTQLQIEISA-N -1 1 271.328 1.283 20 0 CDADMM c1nc(N2CC[C@H](C3CCC3)C2)cnc1-c1nn[n-]n1 ZINC001607137385 1164116292 /nfs/dbraw/zinc/11/62/92/1164116292.db2.gz RRSXHKPUHPRNRU-JTQLQIEISA-N -1 1 271.328 1.283 20 0 CDADMM c1nc(N2CC[C@@H](C3CCCC3)C2)cnc1-c1nnn[n-]1 ZINC001607137094 1164116305 /nfs/dbraw/zinc/11/63/05/1164116305.db2.gz HRYCZUHLVOYQOG-LLVKDONJSA-N -1 1 285.355 1.673 20 0 CDADMM c1nc(N2CC[C@@H](C3CCCC3)C2)cnc1-c1nn[n-]n1 ZINC001607137094 1164116309 /nfs/dbraw/zinc/11/63/09/1164116309.db2.gz HRYCZUHLVOYQOG-LLVKDONJSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@H](CO)N(Cc1oncc1C(=O)[O-])Cc1ccccc1 ZINC001607453895 1164187788 /nfs/dbraw/zinc/18/77/88/1164187788.db2.gz NQMSIGNNIXBDGB-LLVKDONJSA-N -1 1 290.319 1.756 20 0 CDADMM Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC001607989652 1164361372 /nfs/dbraw/zinc/36/13/72/1164361372.db2.gz OZILWFUCRAGQFJ-LBPRGKRZSA-N -1 1 255.293 1.080 20 0 CDADMM Cn1cc(NC(=O)c2cncc3nc[nH]c32)cc1C(=O)[O-] ZINC001608119577 1164415685 /nfs/dbraw/zinc/41/56/85/1164415685.db2.gz BPRLINOYRCRYLO-UHFFFAOYSA-N -1 1 285.263 1.247 20 0 CDADMM Cn1cc(NC(=O)[C@@H]2Cc3ccccc3CN2)cc1C(=O)[O-] ZINC001608118791 1164416019 /nfs/dbraw/zinc/41/60/19/1164416019.db2.gz NJNQDMCSESUGHC-ZDUSSCGKSA-N -1 1 299.330 1.376 20 0 CDADMM NC(=O)C1(NCc2ccc(C(=O)[O-])cc2F)CCCCC1 ZINC001608228330 1164461538 /nfs/dbraw/zinc/46/15/38/1164461538.db2.gz LTAOBQPFGVEOHL-UHFFFAOYSA-N -1 1 294.326 1.802 20 0 CDADMM O=C([O-])C1(CNC(=O)c2n[nH]nc2-c2ccccc2)CC1 ZINC001608425935 1164514153 /nfs/dbraw/zinc/51/41/53/1164514153.db2.gz FPXXTZSXFKHPQC-UHFFFAOYSA-N -1 1 286.291 1.066 20 0 CDADMM O=C([O-])C[C@@]1(NCc2cc(C3CC3)no2)CCCOC1 ZINC001608687858 1164604622 /nfs/dbraw/zinc/60/46/22/1164604622.db2.gz LMMBRZNDMOFKHR-AWEZNQCLSA-N -1 1 280.324 1.666 20 0 CDADMM O=C([O-])COc1ccccc1CNC[C@@H](O)C(F)(F)F ZINC001608765497 1164631088 /nfs/dbraw/zinc/63/10/88/1164631088.db2.gz JNTCIOPDNWJFLS-SNVBAGLBSA-N -1 1 293.241 1.163 20 0 CDADMM O=C([O-])c1ccc(COC(=O)C23CCCN2CCC3)o1 ZINC001608888677 1164677292 /nfs/dbraw/zinc/67/72/92/1164677292.db2.gz MITLBXJJHGROJQ-UHFFFAOYSA-N -1 1 279.292 1.649 20 0 CDADMM CC(C)[C@H]1N(c2ccc(-c3nnn[n-]3)nn2)CC12CCC2 ZINC001609092358 1164767374 /nfs/dbraw/zinc/76/73/74/1164767374.db2.gz GWKGIXVBWOUTBI-GFCCVEGCSA-N -1 1 285.355 1.672 20 0 CDADMM CC(C)[C@H]1N(c2ccc(-c3nn[n-]n3)nn2)CC12CCC2 ZINC001609092358 1164767382 /nfs/dbraw/zinc/76/73/82/1164767382.db2.gz GWKGIXVBWOUTBI-GFCCVEGCSA-N -1 1 285.355 1.672 20 0 CDADMM CC(C)c1cc(CNc2cc(-c3nnn[n-]3)ncn2)on1 ZINC001609104285 1164770758 /nfs/dbraw/zinc/77/07/58/1164770758.db2.gz DPULQXPEWTYVPT-UHFFFAOYSA-N -1 1 286.299 1.380 20 0 CDADMM CC(C)c1cc(CNc2cc(-c3nn[n-]n3)ncn2)on1 ZINC001609104285 1164770766 /nfs/dbraw/zinc/77/07/66/1164770766.db2.gz DPULQXPEWTYVPT-UHFFFAOYSA-N -1 1 286.299 1.380 20 0 CDADMM C[C@@H](COC(=O)c1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001609114643 1164776850 /nfs/dbraw/zinc/77/68/50/1164776850.db2.gz QVHWZUMTCUIXNL-QMMMGPOBSA-N -1 1 273.296 1.465 20 0 CDADMM C[C@@H](COC(=O)c1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001609114643 1164776857 /nfs/dbraw/zinc/77/68/57/1164776857.db2.gz QVHWZUMTCUIXNL-QMMMGPOBSA-N -1 1 273.296 1.465 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccc[nH]1 ZINC001609121696 1164778472 /nfs/dbraw/zinc/77/84/72/1164778472.db2.gz DJBYJGUUIDZSJQ-ZETCQYMHSA-N -1 1 272.268 1.279 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccc[nH]1 ZINC001609121696 1164778476 /nfs/dbraw/zinc/77/84/76/1164778476.db2.gz DJBYJGUUIDZSJQ-ZETCQYMHSA-N -1 1 272.268 1.279 20 0 CDADMM C[C@H]1CCCC[C@H]1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001609164715 1164810890 /nfs/dbraw/zinc/81/08/90/1164810890.db2.gz WDUARMSNSBVRBX-QWRGUYRKSA-N -1 1 272.356 1.922 20 0 CDADMM C[C@H]1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001609164715 1164810896 /nfs/dbraw/zinc/81/08/96/1164810896.db2.gz WDUARMSNSBVRBX-QWRGUYRKSA-N -1 1 272.356 1.922 20 0 CDADMM C[C@@H]1CCCC[C@@H]1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609165458 1164811841 /nfs/dbraw/zinc/81/18/41/1164811841.db2.gz NPEYVLSFUCNOEW-KOLCDFICSA-N -1 1 286.339 1.570 20 0 CDADMM C[C@@H]1CCCC[C@@H]1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609165458 1164811850 /nfs/dbraw/zinc/81/18/50/1164811850.db2.gz NPEYVLSFUCNOEW-KOLCDFICSA-N -1 1 286.339 1.570 20 0 CDADMM Cc1cc(N[C@@H]2CSC2(C)C)cc(-c2nnn[n-]2)n1 ZINC001609409521 1164933195 /nfs/dbraw/zinc/93/31/95/1164933195.db2.gz MPUHHNAKFMSUFV-SNVBAGLBSA-N -1 1 276.369 1.298 20 0 CDADMM Cc1cc(N[C@@H]2CSC2(C)C)cc(-c2nn[n-]n2)n1 ZINC001609409521 1164933199 /nfs/dbraw/zinc/93/31/99/1164933199.db2.gz MPUHHNAKFMSUFV-SNVBAGLBSA-N -1 1 276.369 1.298 20 0 CDADMM Cc1ccnc(Oc2ccc(C)[n+]([O-])c2)c1-c1nn[n-]n1 ZINC001609439029 1164947333 /nfs/dbraw/zinc/94/73/33/1164947333.db2.gz CSUPVWKKFVHZGJ-UHFFFAOYSA-N -1 1 284.279 1.304 20 0 CDADMM Cc1[nH]sc(=NC(=O)NOC2CCC2)c1-c1nn[n-]n1 ZINC001609464840 1164961179 /nfs/dbraw/zinc/96/11/79/1164961179.db2.gz CBEHOISXOQCGNQ-UHFFFAOYSA-N -1 1 295.328 1.237 20 0 CDADMM Cc1noc(C)c1CNc1snc(C)c1-c1nn[n-]n1 ZINC001609463482 1164962957 /nfs/dbraw/zinc/96/29/57/1164962957.db2.gz XVKIVAZXTOGOKP-UHFFFAOYSA-N -1 1 291.340 1.849 20 0 CDADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC2(CCC2)CC1 ZINC001609584175 1164995980 /nfs/dbraw/zinc/99/59/80/1164995980.db2.gz UEGBDLAGHKDZLN-UHFFFAOYSA-N -1 1 298.350 1.668 20 0 CDADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC2(CCC2)CC1 ZINC001609584175 1164995982 /nfs/dbraw/zinc/99/59/82/1164995982.db2.gz UEGBDLAGHKDZLN-UHFFFAOYSA-N -1 1 298.350 1.668 20 0 CDADMM c1cc(-c2nc([C@H]3CCCOC3)no2)cc(-c2nnn[n-]2)n1 ZINC001609612953 1165006639 /nfs/dbraw/zinc/00/66/39/1165006639.db2.gz YZZHXNBFGJSIEV-VIFPVBQESA-N -1 1 299.294 1.206 20 0 CDADMM c1cc(-c2nc([C@H]3CCCOC3)no2)cc(-c2nn[n-]n2)n1 ZINC001609612953 1165006642 /nfs/dbraw/zinc/00/66/42/1165006642.db2.gz YZZHXNBFGJSIEV-VIFPVBQESA-N -1 1 299.294 1.206 20 0 CDADMM c1ccc([C@@H]2C[C@H]2CNc2ncncc2-c2nn[n-]n2)cc1 ZINC001609617576 1165010830 /nfs/dbraw/zinc/01/08/30/1165010830.db2.gz DAAWNOVJBFKPTG-RYUDHWBXSA-N -1 1 293.334 1.872 20 0 CDADMM c1ccc([C@@H]2CCN(c3ncncc3-c3nn[n-]n3)C2)cc1 ZINC001609616861 1165011584 /nfs/dbraw/zinc/01/15/84/1165011584.db2.gz IHDIWDIJDSYICO-GFCCVEGCSA-N -1 1 293.334 1.651 20 0 CDADMM c1ccc(C[C@@H]2C[C@@H]2Nc2ncncc2-c2nn[n-]n2)cc1 ZINC001609617178 1165013373 /nfs/dbraw/zinc/01/33/73/1165013373.db2.gz YYVSBIBBKKOLJP-YPMHNXCESA-N -1 1 293.334 1.700 20 0 CDADMM c1cncc([C@H]2C[C@@H]2Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001609619968 1165015083 /nfs/dbraw/zinc/01/50/83/1165015083.db2.gz IFJLIBRDNNBSEX-PWSUYJOCSA-N -1 1 279.307 1.625 20 0 CDADMM c1cncc([C@H]2C[C@@H]2Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001609619968 1165015089 /nfs/dbraw/zinc/01/50/89/1165015089.db2.gz IFJLIBRDNNBSEX-PWSUYJOCSA-N -1 1 279.307 1.625 20 0 CDADMM c1nc(N2C[C@@H](C3CC3)[C@@H]2C2CC2)cnc1-c1nnn[n-]1 ZINC001609620954 1165018687 /nfs/dbraw/zinc/01/86/87/1165018687.db2.gz KMPVRIQQOWYKOM-GWCFXTLKSA-N -1 1 283.339 1.282 20 0 CDADMM c1nc(N2C[C@@H](C3CC3)[C@@H]2C2CC2)cnc1-c1nn[n-]n1 ZINC001609620954 1165018689 /nfs/dbraw/zinc/01/86/89/1165018689.db2.gz KMPVRIQQOWYKOM-GWCFXTLKSA-N -1 1 283.339 1.282 20 0 CDADMM CCCN1CCN(CC2(C(=O)[O-])CC2)C(C)(C)C1=O ZINC001609977792 1165171540 /nfs/dbraw/zinc/17/15/40/1165171540.db2.gz GMZWQAJAVPXETI-UHFFFAOYSA-N -1 1 268.357 1.184 20 0 CDADMM CN(Cc1ccc(C(=O)[O-])cc1F)CC(C)(C)CO ZINC001610120874 1165224671 /nfs/dbraw/zinc/22/46/71/1165224671.db2.gz HVXHRUFQTCBAPW-UHFFFAOYSA-N -1 1 269.316 1.974 20 0 CDADMM COCCOC1CCN(Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC001610262955 1165279555 /nfs/dbraw/zinc/27/95/55/1165279555.db2.gz CJYGONVSQOMRGS-UHFFFAOYSA-N -1 1 282.340 1.340 20 0 CDADMM Cc1nnc([C@H](C)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)s1 ZINC001610572992 1165361339 /nfs/dbraw/zinc/36/13/39/1165361339.db2.gz LDWYSHCYBIIRGJ-GMOODISLSA-N -1 1 297.380 1.331 20 0 CDADMM O=C([O-])[C@H]1CC(=O)N(CN2CCC3(C2)CCCCC3)C1 ZINC001610734821 1165422661 /nfs/dbraw/zinc/42/26/61/1165422661.db2.gz LSRPXPKXKRUORZ-LBPRGKRZSA-N -1 1 280.368 1.533 20 0 CDADMM O=C([O-])c1ccc(CNC[C@H](O)c2ccco2)o1 ZINC001610827790 1165456375 /nfs/dbraw/zinc/45/63/75/1165456375.db2.gz RWRYAGRUEZQOMT-VIFPVBQESA-N -1 1 251.238 1.394 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cnc(-c2ccccc2)nc1 ZINC001611380590 1165492376 /nfs/dbraw/zinc/49/23/76/1165492376.db2.gz WPVGPAFSXBPGNK-UHFFFAOYSA-N -1 1 281.275 1.825 20 0 CDADMM CCC(CC)(NC(=O)C1CC(C)(C)C1)c1nn[n-]n1 ZINC001623441184 1165771151 /nfs/dbraw/zinc/77/11/51/1165771151.db2.gz MDNITQHNMCWARO-UHFFFAOYSA-N -1 1 265.361 1.767 20 0 CDADMM O=C(Nc1cnn(Cc2ccccn2)c1)c1ccc([O-])cn1 ZINC001627646480 1166007288 /nfs/dbraw/zinc/00/72/88/1166007288.db2.gz LHEHUOMIRJQKOB-UHFFFAOYSA-N -1 1 295.302 1.679 20 0 CDADMM CSc1nc(CNC(=O)c2ccoc2)cc(=O)[n-]1 ZINC001631272059 1166264594 /nfs/dbraw/zinc/26/45/94/1166264594.db2.gz UHQYPWUWGHCZDO-UHFFFAOYSA-N -1 1 265.294 1.427 20 0 CDADMM Cc1noc(CN(C)C(=O)c2ncc3ccccc3c2[O-])n1 ZINC001631659197 1166294490 /nfs/dbraw/zinc/29/44/90/1166294490.db2.gz SCVKURLBYQIXKR-UHFFFAOYSA-N -1 1 298.302 1.904 20 0 CDADMM O=C(NCc1cccnn1)c1ccc2ccc(O)cc2c1[O-] ZINC001634109726 1166471790 /nfs/dbraw/zinc/47/17/90/1166471790.db2.gz KVGNHJGTVBPBNM-UHFFFAOYSA-N -1 1 295.298 1.971 20 0 CDADMM O=Cc1ccc(Oc2ncccc2-c2nn[n-]n2)cc1 ZINC000095220244 1166609662 /nfs/dbraw/zinc/60/96/62/1166609662.db2.gz GIFPXNBFRRUEEN-UHFFFAOYSA-N -1 1 267.248 1.867 20 0 CDADMM Cc1ccc(Cn2cnc(-c3nn[n-]n3)n2)cc1C ZINC000095323913 1166619858 /nfs/dbraw/zinc/61/98/58/1166619858.db2.gz FAOHGTPMMVDRKS-UHFFFAOYSA-N -1 1 255.285 1.123 20 0 CDADMM Cc1cccnc1[C@H](C)NC(=O)c1cncc([O-])c1 ZINC001637364473 1166750838 /nfs/dbraw/zinc/75/08/38/1166750838.db2.gz QMUCBOJOKTZVOZ-JTQLQIEISA-N -1 1 257.293 1.982 20 0 CDADMM O=C(Nc1ccncc1[O-])c1cc(-c2cccc(O)c2)on1 ZINC001638303475 1166836996 /nfs/dbraw/zinc/83/69/96/1166836996.db2.gz ANTCFUNBCXLHHV-UHFFFAOYSA-N -1 1 297.270 1.822 20 0 CDADMM Cc1nc2c(cccc2NC(=O)CCCc2nn[n-]n2)o1 ZINC001640629312 1167040761 /nfs/dbraw/zinc/04/07/61/1167040761.db2.gz LJBKAXFCSPDYGW-UHFFFAOYSA-N -1 1 286.295 1.611 20 0 CDADMM NS(=O)(=O)CCCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC001151582728 1167082398 /nfs/dbraw/zinc/08/23/98/1167082398.db2.gz MGTSJJYXNXQEAZ-UHFFFAOYSA-N -1 1 292.744 1.053 20 0 CDADMM c1cnc2nc(SCc3nn[n-]n3)sc2c1 ZINC001641344760 1167097667 /nfs/dbraw/zinc/09/76/67/1167097667.db2.gz VTQQKOVLFVFXSA-UHFFFAOYSA-N -1 1 250.312 1.497 20 0 CDADMM CCC[C@H]1C[C@H](C(=O)Nc2c[n-][nH]c2=O)CCO1 ZINC001641600849 1167123044 /nfs/dbraw/zinc/12/30/44/1167123044.db2.gz ICOIARCWFNVUAG-BDAKNGLRSA-N -1 1 253.302 1.649 20 0 CDADMM Cc1cc2ncc(C(=O)Nc3c(C)[n-][nH]c3=O)c(C)n2n1 ZINC001641715995 1167131992 /nfs/dbraw/zinc/13/19/92/1167131992.db2.gz NLIKDPMGTFQYAM-UHFFFAOYSA-N -1 1 286.295 1.336 20 0 CDADMM C[C@@H](C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)n1cccc1 ZINC001645805625 1167513362 /nfs/dbraw/zinc/51/33/62/1167513362.db2.gz IKNGRKGQNMGLHA-WDEREUQCSA-N -1 1 290.323 1.544 20 0 CDADMM CSc1n[nH]c(NC(=O)c2nccc(Cl)c2F)n1 ZINC001647148223 1168408408 /nfs/dbraw/zinc/40/84/08/1168408408.db2.gz HBGAOMCULRJDDF-UHFFFAOYSA-N -1 1 287.707 1.966 20 0 CDADMM CSc1nc([N-]C(=O)c2nccc(Cl)c2F)n[nH]1 ZINC001647148223 1168408410 /nfs/dbraw/zinc/40/84/10/1168408410.db2.gz HBGAOMCULRJDDF-UHFFFAOYSA-N -1 1 287.707 1.966 20 0 CDADMM CC(C)OCc1noc(CN2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])n1 ZINC001573523495 1170681614 /nfs/dbraw/zinc/68/16/14/1170681614.db2.gz FFLKZTMDSYSZLY-CWSCBRNRSA-N -1 1 295.339 1.432 20 0 CDADMM CCc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)no1 ZINC001578514092 1171938108 /nfs/dbraw/zinc/93/81/08/1171938108.db2.gz PYJCKOPGYOEJGT-UHFFFAOYSA-N -1 1 285.267 1.064 20 0 CDADMM CCc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)no1 ZINC001578514092 1171938111 /nfs/dbraw/zinc/93/81/11/1171938111.db2.gz PYJCKOPGYOEJGT-UHFFFAOYSA-N -1 1 285.267 1.064 20 0 CDADMM Clc1ccsc1Cn1cc(-c2nn[n-]n2)nn1 ZINC001581745706 1172618470 /nfs/dbraw/zinc/61/84/70/1172618470.db2.gz QDAXCMUOKTXONM-UHFFFAOYSA-N -1 1 267.705 1.221 20 0 CDADMM O=C(Nc1cnoc1)c1nc[n-]c1C(=O)c1ccccc1 ZINC001584536115 1172826422 /nfs/dbraw/zinc/82/64/22/1172826422.db2.gz WOUWVBAUFRTUFR-UHFFFAOYSA-N -1 1 282.259 1.881 20 0 CDADMM O=C(Nc1nn[n-]n1)c1ccc(OCc2ccccc2)cn1 ZINC001586746234 1172958433 /nfs/dbraw/zinc/95/84/33/1172958433.db2.gz ABWGHQHRWRRUIE-UHFFFAOYSA-N -1 1 296.290 1.426 20 0 CDADMM C1=C[C@H](Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CC1 ZINC001588389484 1173058384 /nfs/dbraw/zinc/05/83/84/1173058384.db2.gz VEZAATLAVIFKEM-VIFPVBQESA-N -1 1 269.312 1.665 20 0 CDADMM C1=C[C@H](Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CC1 ZINC001588389484 1173058389 /nfs/dbraw/zinc/05/83/89/1173058389.db2.gz VEZAATLAVIFKEM-VIFPVBQESA-N -1 1 269.312 1.665 20 0 CDADMM C=C/C=C/CCn1cc(C)cc(-c2nn[n-]n2)c1=O ZINC001588529684 1173075968 /nfs/dbraw/zinc/07/59/68/1173075968.db2.gz CSWLNFQLGDXVCV-SNAWJCMRSA-N -1 1 257.297 1.469 20 0 CDADMM CC(=O)O[C@H](C)Sc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC001588886919 1173111537 /nfs/dbraw/zinc/11/15/37/1173111537.db2.gz NXCOWUGLHHHQMD-QMMMGPOBSA-N -1 1 294.340 1.275 20 0 CDADMM CC(C)(C)[C@H]1CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001589104893 1173124850 /nfs/dbraw/zinc/12/48/50/1173124850.db2.gz JJGCMKXDGMOJGI-SECBINFHSA-N -1 1 259.317 1.282 20 0 CDADMM CC(C)(C)[C@H]1CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001589104893 1173124853 /nfs/dbraw/zinc/12/48/53/1173124853.db2.gz JJGCMKXDGMOJGI-SECBINFHSA-N -1 1 259.317 1.282 20 0 CDADMM CC(C)C[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589571740 1173161107 /nfs/dbraw/zinc/16/11/07/1173161107.db2.gz FXOAXNBYVJJBPW-LLVKDONJSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)C[C@H](CO)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001589659702 1173165504 /nfs/dbraw/zinc/16/55/04/1173165504.db2.gz IFFIHYDFJARONB-MRVPVSSYSA-N -1 1 295.368 1.065 20 0 CDADMM CC(C)C[C@H](CO)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001589659702 1173165508 /nfs/dbraw/zinc/16/55/08/1173165508.db2.gz IFFIHYDFJARONB-MRVPVSSYSA-N -1 1 295.368 1.065 20 0 CDADMM CC(C)NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001589725374 1173171571 /nfs/dbraw/zinc/17/15/71/1173171571.db2.gz RGCLEYNQYADWNI-UHFFFAOYSA-N -1 1 267.239 1.283 20 0 CDADMM CC(C)NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001589725374 1173171572 /nfs/dbraw/zinc/17/15/72/1173171572.db2.gz RGCLEYNQYADWNI-UHFFFAOYSA-N -1 1 267.239 1.283 20 0 CDADMM CC(C)n1ccc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001589782732 1173179827 /nfs/dbraw/zinc/17/98/27/1173179827.db2.gz YYAGVCHMZXIXAI-UHFFFAOYSA-N -1 1 298.310 1.291 20 0 CDADMM CC(C)n1ccc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001589782732 1173179828 /nfs/dbraw/zinc/17/98/28/1173179828.db2.gz YYAGVCHMZXIXAI-UHFFFAOYSA-N -1 1 298.310 1.291 20 0 CDADMM C[C@@H](CNc1ccnc(-c2nnn[n-]2)c1)CC(F)(F)F ZINC001589878462 1173192785 /nfs/dbraw/zinc/19/27/85/1173192785.db2.gz KJGYDYPECRPTTB-SSDOTTSWSA-N -1 1 286.261 1.684 20 0 CDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)c1)CC(F)(F)F ZINC001589878462 1173192791 /nfs/dbraw/zinc/19/27/91/1173192791.db2.gz KJGYDYPECRPTTB-SSDOTTSWSA-N -1 1 286.261 1.684 20 0 CDADMM C[C@@H](NC(=O)c1ccsc1-c1nnn[n-]1)C1(C)CC1 ZINC001589949882 1173209492 /nfs/dbraw/zinc/20/94/92/1173209492.db2.gz RMYCYBUHEUEURM-SSDOTTSWSA-N -1 1 277.353 1.847 20 0 CDADMM C[C@@H](NC(=O)c1ccsc1-c1nn[n-]n1)C1(C)CC1 ZINC001589949882 1173209499 /nfs/dbraw/zinc/20/94/99/1173209499.db2.gz RMYCYBUHEUEURM-SSDOTTSWSA-N -1 1 277.353 1.847 20 0 CDADMM C[C@@H](O)CCOc1cccc(F)c1-c1nnn[n-]1 ZINC001589998278 1173228672 /nfs/dbraw/zinc/22/86/72/1173228672.db2.gz JHARKWJMLARTDR-SSDOTTSWSA-N -1 1 252.249 1.156 20 0 CDADMM C[C@@H](O)CCOc1cccc(F)c1-c1nn[n-]n1 ZINC001589998278 1173228676 /nfs/dbraw/zinc/22/86/76/1173228676.db2.gz JHARKWJMLARTDR-SSDOTTSWSA-N -1 1 252.249 1.156 20 0 CDADMM CC1(C)C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)CO1 ZINC001590083963 1173248718 /nfs/dbraw/zinc/24/87/18/1173248718.db2.gz QCDOQBFPHAUEEL-MRVPVSSYSA-N -1 1 260.301 1.241 20 0 CDADMM CC1(C)C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)CO1 ZINC001590083963 1173248722 /nfs/dbraw/zinc/24/87/22/1173248722.db2.gz QCDOQBFPHAUEEL-MRVPVSSYSA-N -1 1 260.301 1.241 20 0 CDADMM CC1(C)[C@@H]2CN(C(=O)Nc3cccc(-c4nnn[n-]4)n3)C[C@@H]21 ZINC001590080252 1173249729 /nfs/dbraw/zinc/24/97/29/1173249729.db2.gz PPASHAVBEVKGBX-DTORHVGOSA-N -1 1 299.338 1.381 20 0 CDADMM CC1(C)[C@@H]2CN(C(=O)Nc3cccc(-c4nn[n-]n4)n3)C[C@@H]21 ZINC001590080252 1173249732 /nfs/dbraw/zinc/24/97/32/1173249732.db2.gz PPASHAVBEVKGBX-DTORHVGOSA-N -1 1 299.338 1.381 20 0 CDADMM CC1(C)CC[C@H]1C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001590092688 1173254320 /nfs/dbraw/zinc/25/43/20/1173254320.db2.gz KRMPEKCEJHKNMY-ZETCQYMHSA-N -1 1 293.352 1.803 20 0 CDADMM CC1(C)CC[C@H]1C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001590092688 1173254327 /nfs/dbraw/zinc/25/43/27/1173254327.db2.gz KRMPEKCEJHKNMY-ZETCQYMHSA-N -1 1 293.352 1.803 20 0 CDADMM CC1(C)CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)[C@@H]1C1CC1 ZINC001590103625 1173259489 /nfs/dbraw/zinc/25/94/89/1173259489.db2.gz CTMBUJXXZGQYME-GFCCVEGCSA-N -1 1 298.350 1.522 20 0 CDADMM CC1(C)CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)[C@@H]1C1CC1 ZINC001590103625 1173259498 /nfs/dbraw/zinc/25/94/98/1173259498.db2.gz CTMBUJXXZGQYME-GFCCVEGCSA-N -1 1 298.350 1.522 20 0 CDADMM CC1(C)CO[C@H](COc2ccc(F)nc2-c2nn[n-]n2)C1 ZINC001590110801 1173260727 /nfs/dbraw/zinc/26/07/27/1173260727.db2.gz ILSMSZXOFOORMS-QMMMGPOBSA-N -1 1 293.302 1.595 20 0 CDADMM C[C@]1(CNc2ncncc2-c2nn[n-]n2)CC1(F)F ZINC001590134913 1173266767 /nfs/dbraw/zinc/26/67/67/1173266767.db2.gz FNUINLRXLZDGBO-SECBINFHSA-N -1 1 267.243 1.114 20 0 CDADMM C[C@]1(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H]2C[C@H]2C1 ZINC001590131706 1173267185 /nfs/dbraw/zinc/26/71/85/1173267185.db2.gz CUEBVVMPZXGTAO-HBYGRHMLSA-N -1 1 298.350 1.428 20 0 CDADMM C[C@]1(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H]2C[C@H]2C1 ZINC001590131706 1173267191 /nfs/dbraw/zinc/26/71/91/1173267191.db2.gz CUEBVVMPZXGTAO-HBYGRHMLSA-N -1 1 298.350 1.428 20 0 CDADMM C[C@@]1(CNc2ncncc2-c2nn[n-]n2)CCCC[C@H]1O ZINC001590135791 1173269412 /nfs/dbraw/zinc/26/94/12/1173269412.db2.gz NCQIYFIVFHVNKJ-MFKMUULPSA-N -1 1 289.343 1.010 20 0 CDADMM CC1=C[C@@H](C)CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001590155827 1173276900 /nfs/dbraw/zinc/27/69/00/1173276900.db2.gz BJDAIILFIXORPL-SECBINFHSA-N -1 1 297.366 1.937 20 0 CDADMM CC1=C[C@@H](C)CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001590155827 1173276908 /nfs/dbraw/zinc/27/69/08/1173276908.db2.gz BJDAIILFIXORPL-SECBINFHSA-N -1 1 297.366 1.937 20 0 CDADMM C[C@@H]1C[C@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001590192656 1173287856 /nfs/dbraw/zinc/28/78/56/1173287856.db2.gz VWKOAZLUHDGKEU-SFYZADRCSA-N -1 1 261.285 1.330 20 0 CDADMM C[C@@H]1C[C@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590192656 1173287858 /nfs/dbraw/zinc/28/78/58/1173287858.db2.gz VWKOAZLUHDGKEU-SFYZADRCSA-N -1 1 261.285 1.330 20 0 CDADMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001590216896 1173294921 /nfs/dbraw/zinc/29/49/21/1173294921.db2.gz BBEIDASLYXLUQU-DQDDRIPDSA-N -1 1 299.334 1.803 20 0 CDADMM C[C@@H]1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001590240159 1173314407 /nfs/dbraw/zinc/31/44/07/1173314407.db2.gz CXQRYIBXPZZILC-MXWKQRLJSA-N -1 1 287.371 1.563 20 0 CDADMM CCC(C)(C)c1noc(-c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001590380202 1173379997 /nfs/dbraw/zinc/37/99/97/1173379997.db2.gz WGMFRJIGDMJWDE-UHFFFAOYSA-N -1 1 285.311 1.999 20 0 CDADMM CCC(C)(C)c1noc(-c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001590380202 1173380001 /nfs/dbraw/zinc/38/00/01/1173380001.db2.gz WGMFRJIGDMJWDE-UHFFFAOYSA-N -1 1 285.311 1.999 20 0 CDADMM CCCC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001590538252 1173455961 /nfs/dbraw/zinc/45/59/61/1173455961.db2.gz BIPQDFFDXXRWFE-UHFFFAOYSA-N -1 1 262.273 1.009 20 0 CDADMM CCC[C@H](COC(=O)c1cc(-c2nnn[n-]2)oc1C)OC ZINC001590558235 1173462640 /nfs/dbraw/zinc/46/26/40/1173462640.db2.gz LQIZSMRMDXMWIN-SECBINFHSA-N -1 1 294.311 1.740 20 0 CDADMM CCC[C@H](COC(=O)c1cc(-c2nn[n-]n2)oc1C)OC ZINC001590558235 1173462642 /nfs/dbraw/zinc/46/26/42/1173462642.db2.gz LQIZSMRMDXMWIN-SECBINFHSA-N -1 1 294.311 1.740 20 0 CDADMM CCCCN(C)C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590598815 1173472925 /nfs/dbraw/zinc/47/29/25/1173472925.db2.gz PZUILTQRVQPWPN-UHFFFAOYSA-N -1 1 263.301 1.640 20 0 CDADMM CCCCN(C)C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590598815 1173472928 /nfs/dbraw/zinc/47/29/28/1173472928.db2.gz PZUILTQRVQPWPN-UHFFFAOYSA-N -1 1 263.301 1.640 20 0 CDADMM CCCNC(=O)CSCc1ccc(-c2nnn[n-]2)o1 ZINC001590637626 1173480226 /nfs/dbraw/zinc/48/02/26/1173480226.db2.gz BILGKSWGGBYGKO-UHFFFAOYSA-N -1 1 281.341 1.219 20 0 CDADMM CCCNC(=O)CSCc1ccc(-c2nn[n-]n2)o1 ZINC001590637626 1173480231 /nfs/dbraw/zinc/48/02/31/1173480231.db2.gz BILGKSWGGBYGKO-UHFFFAOYSA-N -1 1 281.341 1.219 20 0 CDADMM CCN(CCSC)c1cc(C)nc(-c2nnn[n-]2)c1 ZINC001590718778 1173497887 /nfs/dbraw/zinc/49/78/87/1173497887.db2.gz RDUAXNNJZZMSRX-UHFFFAOYSA-N -1 1 278.385 1.759 20 0 CDADMM CCN(CCSC)c1cc(C)nc(-c2nn[n-]n2)c1 ZINC001590718778 1173497894 /nfs/dbraw/zinc/49/78/94/1173497894.db2.gz RDUAXNNJZZMSRX-UHFFFAOYSA-N -1 1 278.385 1.759 20 0 CDADMM CCN(c1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H]1CCOC1 ZINC001590725068 1173502841 /nfs/dbraw/zinc/50/28/41/1173502841.db2.gz XZPAWAJZRXBOKH-MRVPVSSYSA-N -1 1 294.746 1.530 20 0 CDADMM CCN(c1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H]1CCOC1 ZINC001590725068 1173502847 /nfs/dbraw/zinc/50/28/47/1173502847.db2.gz XZPAWAJZRXBOKH-MRVPVSSYSA-N -1 1 294.746 1.530 20 0 CDADMM CCOc1cccc(CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001590841654 1173525815 /nfs/dbraw/zinc/52/58/15/1173525815.db2.gz ZZORNIJASXTXBT-UHFFFAOYSA-N -1 1 297.322 1.668 20 0 CDADMM CCOc1cccc(CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001590841654 1173525821 /nfs/dbraw/zinc/52/58/21/1173525821.db2.gz ZZORNIJASXTXBT-UHFFFAOYSA-N -1 1 297.322 1.668 20 0 CDADMM CCc1cccc(Nc2ncncc2-c2nn[n-]n2)c1 ZINC001590895666 1173535998 /nfs/dbraw/zinc/53/59/98/1173535998.db2.gz HRABKEGAKWJOEF-UHFFFAOYSA-N -1 1 267.296 1.963 20 0 CDADMM CCc1csc(NC(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001590902540 1173538486 /nfs/dbraw/zinc/53/84/86/1173538486.db2.gz FXJFRXOUWWETSX-UHFFFAOYSA-N -1 1 290.308 1.731 20 0 CDADMM CCc1csc(NC(=O)c2coc(-c3nn[n-]n3)c2)n1 ZINC001590902540 1173538489 /nfs/dbraw/zinc/53/84/89/1173538489.db2.gz FXJFRXOUWWETSX-UHFFFAOYSA-N -1 1 290.308 1.731 20 0 CDADMM CCc1cnc(CNc2ncncc2-c2nn[n-]n2)s1 ZINC001590900411 1173538505 /nfs/dbraw/zinc/53/85/05/1173538505.db2.gz NJWSXKQDZZCEJC-UHFFFAOYSA-N -1 1 288.340 1.288 20 0 CDADMM CCc1cnc(CNc2cc(-c3nnn[n-]3)nc(C)n2)o1 ZINC001590900515 1173540128 /nfs/dbraw/zinc/54/01/28/1173540128.db2.gz WELTWDOWIVDZOU-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CCc1cnc(CNc2cc(-c3nn[n-]n3)nc(C)n2)o1 ZINC001590900515 1173540135 /nfs/dbraw/zinc/54/01/35/1173540135.db2.gz WELTWDOWIVDZOU-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CCc1nc(NC[C@@H](O)CC(C)C)cc(-c2nnn[n-]2)n1 ZINC001590917204 1173541059 /nfs/dbraw/zinc/54/10/59/1173541059.db2.gz DXISUAKIWSJAQU-VIFPVBQESA-N -1 1 291.359 1.038 20 0 CDADMM CCc1nc(NC[C@@H](O)CC(C)C)cc(-c2nn[n-]n2)n1 ZINC001590917204 1173541065 /nfs/dbraw/zinc/54/10/65/1173541065.db2.gz DXISUAKIWSJAQU-VIFPVBQESA-N -1 1 291.359 1.038 20 0 CDADMM CCc1nc(C(=O)OCc2ccc(-c3nnn[n-]3)o2)co1 ZINC001590911160 1173541941 /nfs/dbraw/zinc/54/19/41/1173541941.db2.gz WWAYIGZUUOVDMO-UHFFFAOYSA-N -1 1 289.251 1.367 20 0 CDADMM CCc1nc(C(=O)OCc2ccc(-c3nn[n-]n3)o2)co1 ZINC001590911160 1173541947 /nfs/dbraw/zinc/54/19/47/1173541947.db2.gz WWAYIGZUUOVDMO-UHFFFAOYSA-N -1 1 289.251 1.367 20 0 CDADMM CCc1nc(NC[C@H]2CCCCO2)cc(-c2nnn[n-]2)n1 ZINC001590919381 1173544279 /nfs/dbraw/zinc/54/42/79/1173544279.db2.gz PIEBUARDZJTASW-SECBINFHSA-N -1 1 289.343 1.200 20 0 CDADMM CCc1nc(NC[C@H]2CCCCO2)cc(-c2nn[n-]n2)n1 ZINC001590919381 1173544283 /nfs/dbraw/zinc/54/42/83/1173544283.db2.gz PIEBUARDZJTASW-SECBINFHSA-N -1 1 289.343 1.200 20 0 CDADMM CN(C(=O)NCc1ccc(-c2nn[n-]n2)s1)C1CCC1 ZINC001590985373 1173557559 /nfs/dbraw/zinc/55/75/59/1173557559.db2.gz MJKMWBFJGSKPMX-UHFFFAOYSA-N -1 1 292.368 1.622 20 0 CDADMM CN(c1ccnc(-c2nn[n-]n2)n1)C1Cc2ccccc2C1 ZINC001591157710 1173584331 /nfs/dbraw/zinc/58/43/31/1173584331.db2.gz FATZGDOYHXTDOK-UHFFFAOYSA-N -1 1 293.334 1.260 20 0 CDADMM CO[C@H](COC(=O)c1coc(-c2nnn[n-]2)c1)C1CCC1 ZINC001591336729 1173618693 /nfs/dbraw/zinc/61/86/93/1173618693.db2.gz ZLYYRWXTPMZECR-LLVKDONJSA-N -1 1 292.295 1.432 20 0 CDADMM CO[C@@H]1[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1(C)C ZINC001591346541 1173619846 /nfs/dbraw/zinc/61/98/46/1173619846.db2.gz WTVVFAFBGGEDLD-BKDNQFJXSA-N -1 1 289.343 1.128 20 0 CDADMM CO[C@@H]1[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1(C)C ZINC001591346541 1173619850 /nfs/dbraw/zinc/61/98/50/1173619850.db2.gz WTVVFAFBGGEDLD-BKDNQFJXSA-N -1 1 289.343 1.128 20 0 CDADMM CO[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCC2 ZINC001591350261 1173622211 /nfs/dbraw/zinc/62/22/11/1173622211.db2.gz QJZJICGBCXCDEL-ZJUUUORDSA-N -1 1 287.327 1.026 20 0 CDADMM CO[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCC2 ZINC001591350261 1173622217 /nfs/dbraw/zinc/62/22/17/1173622217.db2.gz QJZJICGBCXCDEL-ZJUUUORDSA-N -1 1 287.327 1.026 20 0 CDADMM COc1cccc(Cn2ccn3ncc(-c4nn[n-]n4)c23)c1 ZINC001591639500 1173676425 /nfs/dbraw/zinc/67/64/25/1173676425.db2.gz FFUBRKAXQAJCPA-UHFFFAOYSA-N -1 1 295.306 1.373 20 0 CDADMM Cc1c(CN(C)c2cc(C)cc(-c3nnn[n-]3)n2)cnn1C ZINC001591884540 1173738891 /nfs/dbraw/zinc/73/88/91/1173738891.db2.gz KMXYOTXYECQSGL-UHFFFAOYSA-N -1 1 298.354 1.248 20 0 CDADMM Cc1c(CN(C)c2cc(C)cc(-c3nn[n-]n3)n2)cnn1C ZINC001591884540 1173738901 /nfs/dbraw/zinc/73/89/01/1173738901.db2.gz KMXYOTXYECQSGL-UHFFFAOYSA-N -1 1 298.354 1.248 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)COCC2CC2)n1 ZINC001591890850 1173739938 /nfs/dbraw/zinc/73/99/38/1173739938.db2.gz HARWBRLDTNRTPG-SECBINFHSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)COCC2CC2)n1 ZINC001591890850 1173739946 /nfs/dbraw/zinc/73/99/46/1173739946.db2.gz HARWBRLDTNRTPG-SECBINFHSA-N -1 1 289.343 1.192 20 0 CDADMM Cc1cc([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)c(C)o1 ZINC001591941335 1173749867 /nfs/dbraw/zinc/74/98/67/1173749867.db2.gz ZYQCMXYREXTPNF-QMMMGPOBSA-N -1 1 285.311 1.462 20 0 CDADMM Cc1cc(C)nc(COc2cccnc2-c2nnn[n-]2)c1 ZINC001591956689 1173751865 /nfs/dbraw/zinc/75/18/65/1173751865.db2.gz KNMGKKRAYJVHIF-UHFFFAOYSA-N -1 1 282.307 1.853 20 0 CDADMM Cc1cc(C)nc(COc2cccnc2-c2nn[n-]n2)c1 ZINC001591956689 1173751869 /nfs/dbraw/zinc/75/18/69/1173751869.db2.gz KNMGKKRAYJVHIF-UHFFFAOYSA-N -1 1 282.307 1.853 20 0 CDADMM Cc1cc(N[C@@H](C)c2cscn2)cc(-c2nnn[n-]2)n1 ZINC001592035570 1173779145 /nfs/dbraw/zinc/77/91/45/1173779145.db2.gz ZXOAZWQEOMFTRS-QMMMGPOBSA-N -1 1 287.352 1.622 20 0 CDADMM Cc1cc(N[C@@H](C)c2cscn2)cc(-c2nn[n-]n2)n1 ZINC001592035570 1173779152 /nfs/dbraw/zinc/77/91/52/1173779152.db2.gz ZXOAZWQEOMFTRS-QMMMGPOBSA-N -1 1 287.352 1.622 20 0 CDADMM Cc1cc2n[nH]cc2cc1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001592070263 1173795302 /nfs/dbraw/zinc/79/53/02/1173795302.db2.gz KLTDXDUOOKXRHU-UHFFFAOYSA-N -1 1 293.294 1.585 20 0 CDADMM Cc1ccc(N[C@@H](C)CC[S@](C)=O)nc1-c1nnn[n-]1 ZINC001592183841 1173828132 /nfs/dbraw/zinc/82/81/32/1173828132.db2.gz KWXDKKGRNGPRPZ-LXGOIASLSA-N -1 1 294.384 1.139 20 0 CDADMM Cc1ccc(N[C@@H](C)CC[S@](C)=O)nc1-c1nn[n-]n1 ZINC001592183841 1173828137 /nfs/dbraw/zinc/82/81/37/1173828137.db2.gz KWXDKKGRNGPRPZ-LXGOIASLSA-N -1 1 294.384 1.139 20 0 CDADMM Cc1c([C@@H](C)Nc2ccc(C)nc2-c2nnn[n-]2)cnn1C ZINC001592183191 1173828707 /nfs/dbraw/zinc/82/87/07/1173828707.db2.gz ALJYERNNCUQBHV-SECBINFHSA-N -1 1 298.354 1.785 20 0 CDADMM Cc1c([C@@H](C)Nc2ccc(C)nc2-c2nn[n-]n2)cnn1C ZINC001592183191 1173828716 /nfs/dbraw/zinc/82/87/16/1173828716.db2.gz ALJYERNNCUQBHV-SECBINFHSA-N -1 1 298.354 1.785 20 0 CDADMM Cc1nn(CC2=CCCCC2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592436125 1173888584 /nfs/dbraw/zinc/88/85/84/1173888584.db2.gz IFKBRBKITCHTLF-UHFFFAOYSA-N -1 1 286.339 1.541 20 0 CDADMM Cc1noc([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001592456660 1173893621 /nfs/dbraw/zinc/89/36/21/1173893621.db2.gz HHTRGTCKNBUTRS-YFKPBYRVSA-N -1 1 290.239 1.069 20 0 CDADMM Cc1nsc(N2CCSC[C@H](C)C2)c1-c1nn[n-]n1 ZINC001592476562 1173899515 /nfs/dbraw/zinc/89/95/15/1173899515.db2.gz VNBBYAVUECJSQE-SSDOTTSWSA-N -1 1 296.425 1.821 20 0 CDADMM Clc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001592528667 1173913782 /nfs/dbraw/zinc/91/37/82/1173913782.db2.gz IMGXQZDFZPTOBY-UHFFFAOYSA-N -1 1 287.714 1.344 20 0 CDADMM Cn1cccc1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592584730 1173921883 /nfs/dbraw/zinc/92/18/83/1173921883.db2.gz ZFMYMTRIHMYDBD-UHFFFAOYSA-N -1 1 298.310 1.058 20 0 CDADMM FC1(F)C[C@]12CCCN(c1ccnc(-c3nnn[n-]3)c1)C2 ZINC001592630936 1173941223 /nfs/dbraw/zinc/94/12/23/1173941223.db2.gz UQTHSGNJXTWAAH-LBPRGKRZSA-N -1 1 292.293 1.887 20 0 CDADMM FC1(F)C[C@]12CCCN(c1ccnc(-c3nn[n-]n3)c1)C2 ZINC001592630936 1173941231 /nfs/dbraw/zinc/94/12/31/1173941231.db2.gz UQTHSGNJXTWAAH-LBPRGKRZSA-N -1 1 292.293 1.887 20 0 CDADMM Fc1ccc2c(c1)N(c1cc(-c3nnn[n-]3)ncn1)CC2 ZINC001592655525 1173955011 /nfs/dbraw/zinc/95/50/11/1173955011.db2.gz XREDHFBGAKOUEG-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM Fc1ccc2c(c1)N(c1cc(-c3nn[n-]n3)ncn1)CC2 ZINC001592655525 1173955015 /nfs/dbraw/zinc/95/50/15/1173955015.db2.gz XREDHFBGAKOUEG-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM Fc1ccc([C@@H]2C[C@H]2Nc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001592653279 1173955109 /nfs/dbraw/zinc/95/51/09/1173955109.db2.gz SROXSHDZNKVQHQ-WDEREUQCSA-N -1 1 297.297 1.764 20 0 CDADMM Fc1ccc([C@@H]2C[C@H]2Nc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001592653279 1173955113 /nfs/dbraw/zinc/95/51/13/1173955113.db2.gz SROXSHDZNKVQHQ-WDEREUQCSA-N -1 1 297.297 1.764 20 0 CDADMM O=C(CCc1cccs1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592855558 1173998546 /nfs/dbraw/zinc/99/85/46/1173998546.db2.gz HTKAQCCLISCWFY-UHFFFAOYSA-N -1 1 289.324 1.223 20 0 CDADMM O=C(N[C@@H]1C=CCC1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001592966499 1174008897 /nfs/dbraw/zinc/00/88/97/1174008897.db2.gz ZSUFSVICIVYRCU-SECBINFHSA-N -1 1 294.318 1.796 20 0 CDADMM O=C(NCC[C@@H]1CCCCO1)c1coc(-c2nnn[n-]2)c1 ZINC001593064695 1174019553 /nfs/dbraw/zinc/01/95/53/1174019553.db2.gz AOECMYJQUIIPEA-JTQLQIEISA-N -1 1 291.311 1.149 20 0 CDADMM O=C(NCC[C@@H]1CCCCO1)c1coc(-c2nn[n-]n2)c1 ZINC001593064695 1174019562 /nfs/dbraw/zinc/01/95/62/1174019562.db2.gz AOECMYJQUIIPEA-JTQLQIEISA-N -1 1 291.311 1.149 20 0 CDADMM O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)c1coc(-c2nnn[n-]2)c1 ZINC001593065759 1174020790 /nfs/dbraw/zinc/02/07/90/1174020790.db2.gz YOHNNLHDOQYJBP-IQJOONFLSA-N -1 1 287.323 1.626 20 0 CDADMM O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)c1coc(-c2nn[n-]n2)c1 ZINC001593065759 1174020796 /nfs/dbraw/zinc/02/07/96/1174020796.db2.gz YOHNNLHDOQYJBP-IQJOONFLSA-N -1 1 287.323 1.626 20 0 CDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@]12C[C@H]1CCC2 ZINC001593255338 1174039445 /nfs/dbraw/zinc/03/94/45/1174039445.db2.gz DWKFMOKPQWJDHS-AMIZOPFISA-N -1 1 285.311 1.326 20 0 CDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@]12C[C@H]1CCC2 ZINC001593255338 1174039455 /nfs/dbraw/zinc/03/94/55/1174039455.db2.gz DWKFMOKPQWJDHS-AMIZOPFISA-N -1 1 285.311 1.326 20 0 CDADMM O=C(Nc1nc2ccccc2[nH]1)c1ccc(-c2nn[n-]n2)o1 ZINC001593266134 1174041896 /nfs/dbraw/zinc/04/18/96/1174041896.db2.gz HXEPUTKVDCESSU-UHFFFAOYSA-N -1 1 295.262 1.588 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001593261015 1174042927 /nfs/dbraw/zinc/04/29/27/1174042927.db2.gz PWMBYLLXAGLFNM-XHNCKOQMSA-N -1 1 287.327 1.355 20 0 CDADMM O=C(OCC(F)F)c1cccc(F)c1-c1nnn[n-]1 ZINC001593283859 1174050526 /nfs/dbraw/zinc/05/05/26/1174050526.db2.gz UVUGPONGQNAGMA-UHFFFAOYSA-N -1 1 272.186 1.428 20 0 CDADMM O=C(OCC(F)F)c1cccc(F)c1-c1nn[n-]n1 ZINC001593283859 1174050528 /nfs/dbraw/zinc/05/05/28/1174050528.db2.gz UVUGPONGQNAGMA-UHFFFAOYSA-N -1 1 272.186 1.428 20 0 CDADMM O=C(OCC[C@H]1CCCO1)c1coc(-c2nnn[n-]2)c1 ZINC001593287475 1174055548 /nfs/dbraw/zinc/05/55/48/1174055548.db2.gz LRRMJWHSNAGTOK-SECBINFHSA-N -1 1 278.268 1.186 20 0 CDADMM O=C(OCC[C@H]1CCCO1)c1coc(-c2nn[n-]n2)c1 ZINC001593287475 1174055555 /nfs/dbraw/zinc/05/55/55/1174055555.db2.gz LRRMJWHSNAGTOK-SECBINFHSA-N -1 1 278.268 1.186 20 0 CDADMM O=C(O[C@@H]1CCCC[C@H]1F)c1coc(-c2nnn[n-]2)c1 ZINC001593306383 1174059890 /nfs/dbraw/zinc/05/98/90/1174059890.db2.gz UKTLEGZETZXDDW-RKDXNWHRSA-N -1 1 280.259 1.897 20 0 CDADMM O=C(O[C@@H]1CCCC[C@H]1F)c1coc(-c2nn[n-]n2)c1 ZINC001593306383 1174059896 /nfs/dbraw/zinc/05/98/96/1174059896.db2.gz UKTLEGZETZXDDW-RKDXNWHRSA-N -1 1 280.259 1.897 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCCC(F)(F)CC1 ZINC001593340137 1174067845 /nfs/dbraw/zinc/06/78/45/1174067845.db2.gz CEVWLSKAGJJRSG-UHFFFAOYSA-N -1 1 297.265 1.721 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCCC(F)(F)CC1 ZINC001593340137 1174067851 /nfs/dbraw/zinc/06/78/51/1174067851.db2.gz CEVWLSKAGJJRSG-UHFFFAOYSA-N -1 1 297.265 1.721 20 0 CDADMM O=C1CCCC12CCN(c1cccc(-c3nnn[n-]3)n1)CC2 ZINC001593393662 1174077196 /nfs/dbraw/zinc/07/71/96/1174077196.db2.gz LZJPMZJOMBCRLN-UHFFFAOYSA-N -1 1 298.350 1.601 20 0 CDADMM O=C1CCCC12CCN(c1cccc(-c3nn[n-]n3)n1)CC2 ZINC001593393662 1174077200 /nfs/dbraw/zinc/07/72/00/1174077200.db2.gz LZJPMZJOMBCRLN-UHFFFAOYSA-N -1 1 298.350 1.601 20 0 CDADMM O[C@@H]1CCC[C@H]1Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001593536567 1174110354 /nfs/dbraw/zinc/11/03/54/1174110354.db2.gz NOGJNORMBPMQAA-RFZPGFLSSA-N -1 1 286.748 1.302 20 0 CDADMM O[C@@H]1CCC[C@H]1Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001593536567 1174110356 /nfs/dbraw/zinc/11/03/56/1174110356.db2.gz NOGJNORMBPMQAA-RFZPGFLSSA-N -1 1 286.748 1.302 20 0 CDADMM c1cc(NC[C@H]2CCC[C@H]2C2CC2)cc(-c2nnn[n-]2)n1 ZINC001593558111 1174133338 /nfs/dbraw/zinc/13/33/38/1174133338.db2.gz JEPZRQNHRLWRJB-YPMHNXCESA-N -1 1 284.367 1.922 20 0 CDADMM c1cc(NC[C@H]2CCC[C@H]2C2CC2)cc(-c2nn[n-]n2)n1 ZINC001593558111 1174133341 /nfs/dbraw/zinc/13/33/41/1174133341.db2.gz JEPZRQNHRLWRJB-YPMHNXCESA-N -1 1 284.367 1.922 20 0 CDADMM c1ccc([C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001593572461 1174142005 /nfs/dbraw/zinc/14/20/05/1174142005.db2.gz ACGFKCXFVHKICP-GFCCVEGCSA-N -1 1 293.334 1.651 20 0 CDADMM c1ccc([C@H]2CCCN2c2cccnc2-c2nnn[n-]2)nc1 ZINC001593574227 1174144599 /nfs/dbraw/zinc/14/45/99/1174144599.db2.gz YEJLKKBHVSAKFY-GFCCVEGCSA-N -1 1 293.334 1.998 20 0 CDADMM c1ccc([C@H]2CCCN2c2cccnc2-c2nn[n-]n2)nc1 ZINC001593574227 1174144607 /nfs/dbraw/zinc/14/46/07/1174144607.db2.gz YEJLKKBHVSAKFY-GFCCVEGCSA-N -1 1 293.334 1.998 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OC[C@@H]2C[C@]23CCOC3)c1 ZINC001593583626 1174150372 /nfs/dbraw/zinc/15/03/72/1174150372.db2.gz BNZXOUFOGAZEGS-ZANVPECISA-N -1 1 273.296 1.067 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OC[C@@H]2C[C@]23CCOC3)c1 ZINC001593583626 1174150377 /nfs/dbraw/zinc/15/03/77/1174150377.db2.gz BNZXOUFOGAZEGS-ZANVPECISA-N -1 1 273.296 1.067 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NC12CCC(CC1)C2 ZINC001593590333 1174157584 /nfs/dbraw/zinc/15/75/84/1174157584.db2.gz OKEOUGPTIIYTHN-UHFFFAOYSA-N -1 1 257.301 1.401 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NC12CCC(CC1)C2 ZINC001593590333 1174157589 /nfs/dbraw/zinc/15/75/89/1174157589.db2.gz OKEOUGPTIIYTHN-UHFFFAOYSA-N -1 1 257.301 1.401 20 0 CDADMM c1nc(N2CCCC[C@H]2C2CCC2)cnc1-c1nnn[n-]1 ZINC001593590726 1174159079 /nfs/dbraw/zinc/15/90/79/1174159079.db2.gz DBAGZHNJYYZEAE-LBPRGKRZSA-N -1 1 285.355 1.816 20 0 CDADMM c1nc(N2CCCC[C@H]2C2CCC2)cnc1-c1nn[n-]n1 ZINC001593590726 1174159083 /nfs/dbraw/zinc/15/90/83/1174159083.db2.gz DBAGZHNJYYZEAE-LBPRGKRZSA-N -1 1 285.355 1.816 20 0 CDADMM c1nc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc(-c2nnn[n-]2)n1 ZINC001593591646 1174160866 /nfs/dbraw/zinc/16/08/66/1174160866.db2.gz SGUDWBOSTMHUOH-NGZCFLSTSA-N -1 1 287.327 1.026 20 0 CDADMM c1nc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc(-c2nn[n-]n2)n1 ZINC001593591646 1174160869 /nfs/dbraw/zinc/16/08/69/1174160869.db2.gz SGUDWBOSTMHUOH-NGZCFLSTSA-N -1 1 287.327 1.026 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NCC(C1CC1)C1CC1 ZINC001593595501 1174164833 /nfs/dbraw/zinc/16/48/33/1174164833.db2.gz RUCDWCFNGRIBPF-UHFFFAOYSA-N -1 1 271.328 1.505 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NCC(C1CC1)C1CC1 ZINC001593595501 1174164838 /nfs/dbraw/zinc/16/48/38/1174164838.db2.gz RUCDWCFNGRIBPF-UHFFFAOYSA-N -1 1 271.328 1.505 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NCC[C@@H]2CC[C@H]3C[C@H]32)n1 ZINC001593594904 1174165487 /nfs/dbraw/zinc/16/54/87/1174165487.db2.gz JQQWHNBKKWIJCJ-GUBZILKMSA-N -1 1 271.328 1.505 20 0 CDADMM O=C([O-])[C@@H]1CCCN1C(=O)c1cccc(F)c1O ZINC001595167931 1174196663 /nfs/dbraw/zinc/19/66/63/1174196663.db2.gz RFPLVDIGFDOYDD-VIFPVBQESA-N -1 1 253.229 1.221 20 0 CDADMM Cc1cc(CN2C[C@@H](C(=O)[O-])Oc3cc(F)ccc32)n[nH]1 ZINC001600191397 1174396397 /nfs/dbraw/zinc/39/63/97/1174396397.db2.gz HXKARTWPNZMLAZ-ZDUSSCGKSA-N -1 1 291.282 1.709 20 0 CDADMM Cc1cc(CN[C@H]2c3ccccc3C[C@H]2O)[nH]c1C(=O)[O-] ZINC001600206865 1174408229 /nfs/dbraw/zinc/40/82/29/1174408229.db2.gz RTXDSVCOODIFDP-HIFRSBDPSA-N -1 1 286.331 1.769 20 0 CDADMM Fc1ccc(F)c(Oc2cnc(-c3nnn[n-]3)cn2)c1 ZINC000095142188 1174497359 /nfs/dbraw/zinc/49/73/59/1174497359.db2.gz KCKCQVDTVJTOSR-UHFFFAOYSA-N -1 1 276.206 1.727 20 0 CDADMM Fc1ccc(F)c(Oc2cnc(-c3nn[n-]n3)cn2)c1 ZINC000095142188 1174497360 /nfs/dbraw/zinc/49/73/60/1174497360.db2.gz KCKCQVDTVJTOSR-UHFFFAOYSA-N -1 1 276.206 1.727 20 0 CDADMM Cc1cccc2nc(CN[C@]3(CC(=O)[O-])CCOC3)cn21 ZINC001600561000 1174505594 /nfs/dbraw/zinc/50/55/94/1174505594.db2.gz WIDMSEJBVLDJDV-HNNXBMFYSA-N -1 1 289.335 1.366 20 0 CDADMM Cc1ccccc1[C@H](CO)NCc1cncc(C(=O)[O-])c1 ZINC001600568898 1174509787 /nfs/dbraw/zinc/50/97/87/1174509787.db2.gz GZHTWUNCNHTDSZ-HNNXBMFYSA-N -1 1 286.331 1.911 20 0 CDADMM Cc1ncoc1CN1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001600758790 1174598636 /nfs/dbraw/zinc/59/86/36/1174598636.db2.gz YPBBGAHRFZCKBQ-JTQLQIEISA-N -1 1 291.311 1.110 20 0 CDADMM Cn1c(CN[C@@]2(CC(=O)[O-])CCOC2)nc2ccccc21 ZINC001600916552 1174663489 /nfs/dbraw/zinc/66/34/89/1174663489.db2.gz JASGTERZWYNCNB-OAHLLOKOSA-N -1 1 289.335 1.297 20 0 CDADMM Cn1cc(CN[C@H](CO)CC(F)(F)F)cc1C(=O)[O-] ZINC001600952773 1174677081 /nfs/dbraw/zinc/67/70/81/1174677081.db2.gz LTSWCFFFSNRMFE-QMMMGPOBSA-N -1 1 280.246 1.126 20 0 CDADMM Cn1cc(NC(=O)c2cnc3nc[nH]c3c2)cc1C(=O)[O-] ZINC001600965788 1174682982 /nfs/dbraw/zinc/68/29/82/1174682982.db2.gz UUSNJKCDYIIHTJ-UHFFFAOYSA-N -1 1 285.263 1.247 20 0 CDADMM O=C([O-])[C@@H](CNC(=O)c1cccc(F)c1O)CC1CC1 ZINC001601458251 1174875782 /nfs/dbraw/zinc/87/57/82/1174875782.db2.gz LBJSHHLNBLUXIY-SECBINFHSA-N -1 1 281.283 1.762 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](NC(=O)[C@H]2CCN2C2CCCC2)[C@H]2C[C@H]21 ZINC001601572434 1174904838 /nfs/dbraw/zinc/90/48/38/1174904838.db2.gz WJNONRBTRVZSIK-XHJNMGKDSA-N -1 1 292.379 1.229 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc(Nc2ccncc2)cc1 ZINC001601608664 1174913259 /nfs/dbraw/zinc/91/32/59/1174913259.db2.gz XQLYHNTXIIXEHV-UONOGXRCSA-N -1 1 297.314 1.906 20 0 CDADMM O=C([O-])[C@@H](O)C1CCN(Cc2ccc(O)c(F)c2)CC1 ZINC001601685754 1174945044 /nfs/dbraw/zinc/94/50/44/1174945044.db2.gz XWFLRRPTEYWIAA-ZDUSSCGKSA-N -1 1 283.299 1.189 20 0 CDADMM O=C([O-])[C@H](OC(=O)[C@@H]1CCCN1C1CCCC1)C1CC1 ZINC001601690214 1174946815 /nfs/dbraw/zinc/94/68/15/1174946815.db2.gz YWIGLEHUNUZSCJ-QWHCGFSZSA-N -1 1 281.352 1.800 20 0 CDADMM O=C([O-])[C@@H](c1cccnc1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC001601699319 1174953076 /nfs/dbraw/zinc/95/30/76/1174953076.db2.gz YTDVQAVDJFQUSH-KXUCPTDWSA-N -1 1 254.236 1.404 20 0 CDADMM O=C([O-])[C@H]1[C@H](CN2CCc3c(O)cccc3C2)C1(F)F ZINC001601747283 1174980828 /nfs/dbraw/zinc/98/08/28/1174980828.db2.gz CDMMHBKUWKMCME-CMPLNLGQSA-N -1 1 283.274 1.716 20 0 CDADMM O=C([O-])[C@H]1[C@@H](CNCc2ncccc2F)C1(F)F ZINC001601749666 1174984041 /nfs/dbraw/zinc/98/40/41/1174984041.db2.gz GVGLVLUGJMVWIV-HZGVNTEJSA-N -1 1 260.215 1.276 20 0 CDADMM O=C([O-])[C@H]1CCN1C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC001601835031 1175029747 /nfs/dbraw/zinc/02/97/47/1175029747.db2.gz RRFMFWYDUNUOKN-ZCFIWIBFSA-N -1 1 269.688 1.240 20 0 CDADMM O=C([O-])/C=C/c1ccc(CN(CCCO)C2CC2)o1 ZINC001601878222 1175047939 /nfs/dbraw/zinc/04/79/39/1175047939.db2.gz ZIUZXQLEHPRREZ-VOTSOKGWSA-N -1 1 265.309 1.724 20 0 CDADMM O=C([O-])C[C@H](NC(=O)CCc1c[nH]nn1)c1cccs1 ZINC001601898002 1175058140 /nfs/dbraw/zinc/05/81/40/1175058140.db2.gz GAHIHIIUOQULIA-VIFPVBQESA-N -1 1 294.336 1.131 20 0 CDADMM O=C([O-])C[C@H](NC(=O)CCc1cnn[nH]1)c1cccs1 ZINC001601898002 1175058146 /nfs/dbraw/zinc/05/81/46/1175058146.db2.gz GAHIHIIUOQULIA-VIFPVBQESA-N -1 1 294.336 1.131 20 0 CDADMM O=C([O-])C[C@@]1(NCc2cn(C3CCC3)nn2)CCCOC1 ZINC001601936212 1175073659 /nfs/dbraw/zinc/07/36/59/1175073659.db2.gz SVTSJADMSMNXLC-AWEZNQCLSA-N -1 1 294.355 1.117 20 0 CDADMM O=C([O-])CC1(NCc2nc(C3CCC3)no2)CCOCC1 ZINC001601937412 1175074573 /nfs/dbraw/zinc/07/45/73/1175074573.db2.gz RRRJIENRSZXIGU-UHFFFAOYSA-N -1 1 295.339 1.451 20 0 CDADMM O=C([O-])CCN1CCC[C@H](N2Cc3ccccc3C2)C1=O ZINC001602011449 1175109882 /nfs/dbraw/zinc/10/98/82/1175109882.db2.gz LFSVPIVUDBESCZ-AWEZNQCLSA-N -1 1 288.347 1.468 20 0 CDADMM O=C([O-])C[C@@H](O)CSc1nc(-c2ccccc2O)n[nH]1 ZINC001602105537 1175131327 /nfs/dbraw/zinc/13/13/27/1175131327.db2.gz SANHANMQEGWBNV-SSDOTTSWSA-N -1 1 295.320 1.105 20 0 CDADMM O=C([O-])[C@@H]1OCC[C@@H]1NCc1csc(-c2ccco2)n1 ZINC001602203172 1175162594 /nfs/dbraw/zinc/16/25/94/1175162594.db2.gz WZKYDTHEJSALDT-GXSJLCMTSA-N -1 1 294.332 1.735 20 0 CDADMM O=C([O-])[C@@H]1OCC[C@@H]1NCc1nccn1-c1ccccc1 ZINC001602203140 1175162712 /nfs/dbraw/zinc/16/27/12/1175162712.db2.gz UBNABBUQMNHSLH-GXTWGEPZSA-N -1 1 287.319 1.204 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](O)CN1C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC001602219810 1175173122 /nfs/dbraw/zinc/17/31/22/1175173122.db2.gz ZIHQQEWABKFGLC-BARDWOONSA-N -1 1 291.347 1.427 20 0 CDADMM O=C([O-])c1cc(CN2CC[C@H](Cc3nccs3)C2)on1 ZINC001602256945 1175184790 /nfs/dbraw/zinc/18/47/90/1175184790.db2.gz QEMSHJQOWQZVPH-SECBINFHSA-N -1 1 293.348 1.894 20 0 CDADMM O=C([O-])c1ccc(CNC2CSC2)nc1C1CC1 ZINC001602345622 1175219541 /nfs/dbraw/zinc/21/95/41/1175219541.db2.gz QQSHQRUOWJANNW-UHFFFAOYSA-N -1 1 264.350 1.862 20 0 CDADMM O=C([O-])c1ccc(CNCc2cccc3c2OCCO3)[nH]1 ZINC001602347873 1175220902 /nfs/dbraw/zinc/22/09/02/1175220902.db2.gz HKPFPGRGBOHCNM-UHFFFAOYSA-N -1 1 288.303 1.774 20 0 CDADMM O=C([O-])c1cncc(CN2CCOCC3(CCC3)C2)c1 ZINC001602538194 1175280392 /nfs/dbraw/zinc/28/03/92/1175280392.db2.gz PVCXQGFSKHUBAW-UHFFFAOYSA-N -1 1 276.336 1.782 20 0 CDADMM O=C([O-])[C@@H]1CN([C@H]2CCOC2=O)C[C@@H]1c1ccccc1 ZINC001602661857 1175341437 /nfs/dbraw/zinc/34/14/37/1175341437.db2.gz VYLBDQDRHVTONL-UPJWGTAASA-N -1 1 275.304 1.102 20 0 CDADMM C/C(=C\CN1CCCC[C@H]1CCS(C)(=O)=O)C(=O)[O-] ZINC001602962717 1175461800 /nfs/dbraw/zinc/46/18/00/1175461800.db2.gz OJPRNBBUWQVNSQ-BCMYLCSRSA-N -1 1 289.397 1.307 20 0 CDADMM CC(C)(C)[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001603060143 1175483959 /nfs/dbraw/zinc/48/39/59/1175483959.db2.gz BPSZYRWFEYHXJV-SECBINFHSA-N -1 1 295.368 1.065 20 0 CDADMM CC(C)(C)[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001603060143 1175483968 /nfs/dbraw/zinc/48/39/68/1175483968.db2.gz BPSZYRWFEYHXJV-SECBINFHSA-N -1 1 295.368 1.065 20 0 CDADMM CC(C)(C)[C@@H]1CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001603067675 1175484733 /nfs/dbraw/zinc/48/47/33/1175484733.db2.gz OPWRRRQOIAIKTB-QMMMGPOBSA-N -1 1 259.317 1.282 20 0 CDADMM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)o1)C1CCC1 ZINC001603164628 1175507323 /nfs/dbraw/zinc/50/73/23/1175507323.db2.gz IACXZERSYVDFHA-UHFFFAOYSA-N -1 1 275.312 1.768 20 0 CDADMM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)o1)C1CCC1 ZINC001603164628 1175507326 /nfs/dbraw/zinc/50/73/26/1175507326.db2.gz IACXZERSYVDFHA-UHFFFAOYSA-N -1 1 275.312 1.768 20 0 CDADMM CC(C)(C)OC(=O)N1CCN(CC2(C(=O)[O-])CC2)[C@H]2C[C@H]21 ZINC001603421044 1175551956 /nfs/dbraw/zinc/55/19/56/1175551956.db2.gz XTYNRBAWYWPAFA-WDEREUQCSA-N -1 1 296.367 1.545 20 0 CDADMM CC1(C)C[C@]1(C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001603765837 1175623650 /nfs/dbraw/zinc/62/36/50/1175623650.db2.gz YWWNNXZMMFOCJH-GFCCVEGCSA-N -1 1 259.317 1.505 20 0 CDADMM CC1(C)C[C@]1(C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001603765837 1175623655 /nfs/dbraw/zinc/62/36/55/1175623655.db2.gz YWWNNXZMMFOCJH-GFCCVEGCSA-N -1 1 259.317 1.505 20 0 CDADMM CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001603767129 1175624193 /nfs/dbraw/zinc/62/41/93/1175624193.db2.gz RLMKLNMETFTHEO-ZJUUUORDSA-N -1 1 282.344 1.189 20 0 CDADMM CC(C)C[C@@H](NC(=O)CN1CC2CCC1CC2)C(=O)[O-] ZINC001603775959 1175628884 /nfs/dbraw/zinc/62/88/84/1175628884.db2.gz LTPLXGABWUQUTI-WXRRBKDZSA-N -1 1 282.384 1.476 20 0 CDADMM CC1(C)OCC[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001603793973 1175634077 /nfs/dbraw/zinc/63/40/77/1175634077.db2.gz AXDYOQNUZTWVIH-MRVPVSSYSA-N -1 1 294.746 1.895 20 0 CDADMM CC1(C)OCC[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001603793973 1175634081 /nfs/dbraw/zinc/63/40/81/1175634081.db2.gz AXDYOQNUZTWVIH-MRVPVSSYSA-N -1 1 294.746 1.895 20 0 CDADMM CC1(CC(F)(F)F)CN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001603797875 1175635466 /nfs/dbraw/zinc/63/54/66/1175635466.db2.gz CAMMVVNAPUMIGN-UHFFFAOYSA-N -1 1 299.260 1.435 20 0 CDADMM CC1(CC(F)(F)F)CN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001603797875 1175635468 /nfs/dbraw/zinc/63/54/68/1175635468.db2.gz CAMMVVNAPUMIGN-UHFFFAOYSA-N -1 1 299.260 1.435 20 0 CDADMM C[C@]1(CNc2cc(-c3nnn[n-]3)ncn2)C[C@H]2C[C@H]2C1 ZINC001603808297 1175638980 /nfs/dbraw/zinc/63/89/80/1175638980.db2.gz ZLCGZDRQMXCISS-WOFXILAISA-N -1 1 271.328 1.505 20 0 CDADMM C[C@]1(CNc2cc(-c3nn[n-]n3)ncn2)C[C@H]2C[C@H]2C1 ZINC001603808297 1175638985 /nfs/dbraw/zinc/63/89/85/1175638985.db2.gz ZLCGZDRQMXCISS-WOFXILAISA-N -1 1 271.328 1.505 20 0 CDADMM CC1(COC(=O)c2coc(-c3nnn[n-]3)c2)CCOCC1 ZINC001603807606 1175639553 /nfs/dbraw/zinc/63/95/53/1175639553.db2.gz DAVIUMGDWYYSFA-UHFFFAOYSA-N -1 1 292.295 1.433 20 0 CDADMM CC1(COC(=O)c2coc(-c3nn[n-]n3)c2)CCOCC1 ZINC001603807606 1175639556 /nfs/dbraw/zinc/63/95/56/1175639556.db2.gz DAVIUMGDWYYSFA-UHFFFAOYSA-N -1 1 292.295 1.433 20 0 CDADMM CC1=C[C@H](C)CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001603828493 1175647105 /nfs/dbraw/zinc/64/71/05/1175647105.db2.gz 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C[C@H](N=c1[n-]nc(-c2ccccn2)s1)c1nnc[nH]1 ZINC000361059245 299007478 /nfs/dbraw/zinc/00/74/78/299007478.db2.gz RMTCTCJKMYGWPU-ZETCQYMHSA-N -1 1 273.325 1.313 20 0 CDADMM CO[C@@H](C)CN(C)c1ccc(C)nc1-c1nnn[n-]1 ZINC001591322893 1173610986 /nfs/dbraw/zinc/61/09/86/1173610986.db2.gz FIHRXVJVDJFDNJ-VIFPVBQESA-N -1 1 262.317 1.041 20 0 CDADMM CO[C@@H](C)CN(C)c1ccc(C)nc1-c1nn[n-]n1 ZINC001591322893 1173610989 /nfs/dbraw/zinc/61/09/89/1173610989.db2.gz FIHRXVJVDJFDNJ-VIFPVBQESA-N -1 1 262.317 1.041 20 0 CDADMM COc1nn(C)cc1NCc1ccc(-c2nn[n-]n2)s1 ZINC001591670375 1173679751 /nfs/dbraw/zinc/67/97/51/1173679751.db2.gz JAPZWWCKBPWYPV-UHFFFAOYSA-N -1 1 291.340 1.282 20 0 CDADMM C[N-]S(=O)(=O)c1cc(-c2nc(-c3ccoc3)no2)co1 ZINC000350820406 316208537 /nfs/dbraw/zinc/20/85/37/316208537.db2.gz VIUYEKXWEYQFKV-UHFFFAOYSA-N -1 1 295.276 1.498 20 0 CDADMM COC(=O)[C@@H](NCc1ncccc1[O-])c1cccc(O)c1 ZINC000563572061 316332971 /nfs/dbraw/zinc/33/29/71/316332971.db2.gz RZCXMPYXPILABR-AWEZNQCLSA-N -1 1 288.303 1.497 20 0 CDADMM C[C@H](N=c1nc(C2CCCC2)[n-]s1)c1nnc[nH]1 ZINC000563832520 316381121 /nfs/dbraw/zinc/38/11/21/316381121.db2.gz HSBZHSLORNBNAP-ZETCQYMHSA-N -1 1 264.358 1.909 20 0 CDADMM Cc1[n-][nH]c(=O)c1CCN=c1[nH]c2cccc(F)c2s1 ZINC000576226313 317099623 /nfs/dbraw/zinc/09/96/23/317099623.db2.gz VSADBFSSAAZRNY-QMMMGPOBSA-N -1 1 292.339 1.781 20 0 CDADMM O=C(c1ccccn1)N1CCN(Cc2ncccc2[O-])CC1 ZINC000576432860 317137320 /nfs/dbraw/zinc/13/73/20/317137320.db2.gz QPFRJXNJXJAXKQ-UHFFFAOYSA-N -1 1 298.346 1.140 20 0 CDADMM NC(=O)c1[nH]nnc1NC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000577477837 317336131 /nfs/dbraw/zinc/33/61/31/317336131.db2.gz HTOGRIJZPVDRGK-SECBINFHSA-N -1 1 299.334 1.037 20 0 CDADMM Cc1ccc(NC(=O)C(=O)Nc2ncccc2[O-])cc1 ZINC000181003468 323225322 /nfs/dbraw/zinc/22/53/22/323225322.db2.gz DZKNXJXGRJZVTR-UHFFFAOYSA-N -1 1 271.276 1.673 20 0 CDADMM CC[C@@](C)([N-]S(=O)(=O)c1cnn(C)c1C)C(F)(F)F ZINC000581465003 324751188 /nfs/dbraw/zinc/75/11/88/324751188.db2.gz BBRWQGCNKNMGDT-SECBINFHSA-N -1 1 299.318 1.738 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)[C@H](C)C1CC1 ZINC001592495670 1173905428 /nfs/dbraw/zinc/90/54/28/1173905428.db2.gz OQCGSYTWNRZHTK-SSDOTTSWSA-N -1 1 275.312 1.639 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)[C@H](C)C1CC1 ZINC001592495670 1173905433 /nfs/dbraw/zinc/90/54/33/1173905433.db2.gz OQCGSYTWNRZHTK-SSDOTTSWSA-N -1 1 275.312 1.639 20 0 CDADMM CC(C)OC(=O)[C@@H]1CCC[N@H+]1CC1(C(=O)[O-])CC1 ZINC001603908623 1175680162 /nfs/dbraw/zinc/68/01/62/1175680162.db2.gz XCOVNZMJSHCSMP-JTQLQIEISA-N -1 1 255.314 1.267 20 0 CDADMM CC(C)[C@H](NC(=O)CN1CCCSC[C@H]1C)C(=O)[O-] ZINC001603972702 1175703652 /nfs/dbraw/zinc/70/36/52/1175703652.db2.gz MEGZBIPFUBQGNW-PWSUYJOCSA-N -1 1 288.413 1.039 20 0 CDADMM Nc1cc(F)ccc1S(=O)(=O)[N-]c1ccncc1 ZINC000020006433 1159594908 /nfs/dbraw/zinc/59/49/08/1159594908.db2.gz YKLBZWZPSLABPL-UHFFFAOYSA-N -1 1 267.285 1.604 20 0 CDADMM Cc1nnc([C@@H](C)NC(=O)c2ccc([O-])c(F)c2)[nH]1 ZINC000672328818 482545244 /nfs/dbraw/zinc/54/52/44/482545244.db2.gz LSVZBOMRGQLAST-ZCFIWIBFSA-N -1 1 264.260 1.449 20 0 CDADMM O=C(NCc1nn[n-]n1)c1ccc(F)c(Cl)c1F ZINC000680877643 482601599 /nfs/dbraw/zinc/60/15/99/482601599.db2.gz LFXIDRSORRMUIH-UHFFFAOYSA-N -1 1 273.630 1.061 20 0 CDADMM NC(=O)[C@H]1CCCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000666229023 482613429 /nfs/dbraw/zinc/61/34/29/482613429.db2.gz XKLFTFHJPRTZTA-GFCCVEGCSA-N -1 1 299.330 1.420 20 0 CDADMM O=C(NC[C@H]1CCCCO1)c1ccc([O-])c(F)c1 ZINC000681022468 482660993 /nfs/dbraw/zinc/66/09/93/482660993.db2.gz IUENPJSNCSTSAA-SNVBAGLBSA-N -1 1 253.273 1.830 20 0 CDADMM COCCOCCCCNC(=O)c1ccc([O-])c(F)c1 ZINC000681038014 482665549 /nfs/dbraw/zinc/66/55/49/482665549.db2.gz TYOZCHMZYJZNBM-UHFFFAOYSA-N -1 1 285.315 1.704 20 0 CDADMM NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681052705 482672294 /nfs/dbraw/zinc/67/22/94/482672294.db2.gz CNIMJKBIDYAKQF-GXSJLCMTSA-N -1 1 280.299 1.305 20 0 CDADMM O=C(NCC1(CO)CCC1)c1ccc([O-])c(F)c1 ZINC000681069779 482682403 /nfs/dbraw/zinc/68/24/03/482682403.db2.gz LPWLGUMFLOYWQP-UHFFFAOYSA-N -1 1 253.273 1.424 20 0 CDADMM CC(C)(CC(=O)NCc1nn[n-]n1)C1CCCCC1 ZINC000684440248 482814518 /nfs/dbraw/zinc/81/45/18/482814518.db2.gz MITIZQOGNPRJPY-UHFFFAOYSA-N -1 1 265.361 1.813 20 0 CDADMM Cc1nc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)n[nH]1 ZINC000312600278 482843031 /nfs/dbraw/zinc/84/30/31/482843031.db2.gz YEWVDLOUAQDMNM-LBPRGKRZSA-N -1 1 272.308 1.297 20 0 CDADMM O=C(N[C@H]1CC[C@H](CO)CC1)c1c(F)ccc([O-])c1F ZINC000685452291 483129137 /nfs/dbraw/zinc/12/91/37/483129137.db2.gz CPBIAPAMIKLFNX-KYZUINATSA-N -1 1 285.290 1.951 20 0 CDADMM Cn1ccc(CCNC(=O)c2c(F)ccc([O-])c2F)n1 ZINC000685468730 483137678 /nfs/dbraw/zinc/13/76/78/483137678.db2.gz QMVHHAAMDOWGLR-UHFFFAOYSA-N -1 1 281.262 1.376 20 0 CDADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCC(F)(F)C1 ZINC000685503410 483151321 /nfs/dbraw/zinc/15/13/21/483151321.db2.gz QSPAEEPVZCBMBO-LURJTMIESA-N -1 1 281.284 1.031 20 0 CDADMM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1n[nH]c2ccccc21 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O=C([O-])CC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000050918889 527566789 /nfs/dbraw/zinc/56/67/89/527566789.db2.gz XCGXOFLYUCQJHA-JTQLQIEISA-N -1 1 266.297 1.007 20 0 CDADMM CCC[C@H](CCO)CNC(=O)c1cncc([O-])c1 ZINC000176180877 528124214 /nfs/dbraw/zinc/12/42/14/528124214.db2.gz OIZUCKNXKGXZHW-SNVBAGLBSA-N -1 1 252.314 1.316 20 0 CDADMM CC(C)c1nc([C@H]2CCCCN2C(=O)CCC(=O)[O-])n[nH]1 ZINC000263409467 535380945 /nfs/dbraw/zinc/38/09/45/535380945.db2.gz IOAIEMRKESHPBM-SNVBAGLBSA-N -1 1 294.355 1.847 20 0 CDADMM CN(C[C@@H](O)C1CC1)C(=O)c1cc(Cl)ccc1[O-] ZINC000089880262 538418783 /nfs/dbraw/zinc/41/87/83/538418783.db2.gz PHJQQIIOBANCLG-GFCCVEGCSA-N -1 1 269.728 1.889 20 0 CDADMM Cc1ccccc1[C@H](N)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001600571638 1174510109 /nfs/dbraw/zinc/51/01/09/1174510109.db2.gz NMRHHJHOGRJPII-YUTCNCBUSA-N -1 1 290.363 1.564 20 0 CDADMM Cc1nc([C@@H](C)OC(=O)c2cc(F)cc(C(=O)[O-])c2)n[nH]1 ZINC001600666901 1174555267 /nfs/dbraw/zinc/55/52/67/1174555267.db2.gz HNOMFHMOAZGDSC-ZCFIWIBFSA-N -1 1 293.254 1.868 20 0 CDADMM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)c1cn[nH]c1C ZINC001600786037 1174609519 /nfs/dbraw/zinc/60/95/19/1174609519.db2.gz CXKLEIOSXWRJJV-UHFFFAOYSA-N -1 1 291.311 1.258 20 0 CDADMM Cc1nnc(CN[C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])o1 ZINC001600794678 1174614710 /nfs/dbraw/zinc/61/47/10/1174614710.db2.gz AGQWVPYRWOJRSB-MFKMUULPSA-N -1 1 289.335 1.800 20 0 CDADMM Cc1nnc(SCC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)[nH]1 ZINC001600799675 1174616623 /nfs/dbraw/zinc/61/66/23/1174616623.db2.gz YXBSVLXMOVDBMO-UHFFFAOYSA-N -1 1 294.336 1.731 20 0 CDADMM Cc1n[nH]c(SCC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)n1 ZINC001600799675 1174616626 /nfs/dbraw/zinc/61/66/26/1174616626.db2.gz YXBSVLXMOVDBMO-UHFFFAOYSA-N -1 1 294.336 1.731 20 0 CDADMM O=c1c(-c2nn[n-]n2)cn(C[C@@H]2CCOC2)c2ccccc12 ZINC000738371920 574521327 /nfs/dbraw/zinc/52/13/27/574521327.db2.gz LVBRTMLKHQKUGO-JTQLQIEISA-N -1 1 297.318 1.218 20 0 CDADMM O=C([O-])c1ccccc1CCC(=O)OCc1c[nH]nn1 ZINC001601291820 1174825184 /nfs/dbraw/zinc/82/51/84/1174825184.db2.gz UJAOVDXGGPTABT-UHFFFAOYSA-N -1 1 275.264 1.179 20 0 CDADMM COCCN(CCC(=O)[O-])Cc1cn2cccc(C)c2n1 ZINC000737793965 574709208 /nfs/dbraw/zinc/70/92/08/574709208.db2.gz GMTLHPPHGFJTJV-UHFFFAOYSA-N -1 1 291.351 1.566 20 0 CDADMM Cc1ccc(-c2cc(C(=O)OCCC(=O)N(C)C)[nH]n2)o1 ZINC000729090120 574713509 /nfs/dbraw/zinc/71/35/09/574713509.db2.gz PYBWQPOVMQFTGE-UHFFFAOYSA-N -1 1 291.307 1.613 20 0 CDADMM O=C([O-])c1csc(NC(=O)NCCN2CC=CC2)c1 ZINC001601501696 1174886628 /nfs/dbraw/zinc/88/66/28/1174886628.db2.gz KCHVYIGFTVDOSQ-UHFFFAOYSA-N -1 1 281.337 1.440 20 0 CDADMM O=C([O-])[C@H](CC(F)F)NCc1cn(C2CCC2)nn1 ZINC001601639360 1174922459 /nfs/dbraw/zinc/92/24/59/1174922459.db2.gz PWHVZPYBKJUWRI-VIFPVBQESA-N -1 1 274.271 1.201 20 0 CDADMM CC1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)COC1 ZINC000736216178 575594943 /nfs/dbraw/zinc/59/49/43/575594943.db2.gz GXRARXAETSJOMI-UHFFFAOYSA-N -1 1 280.719 1.364 20 0 CDADMM CC1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)COC1 ZINC000736216178 575594947 /nfs/dbraw/zinc/59/49/47/575594947.db2.gz GXRARXAETSJOMI-UHFFFAOYSA-N -1 1 280.719 1.364 20 0 CDADMM C[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@@H]1O ZINC000768827309 575138363 /nfs/dbraw/zinc/13/83/63/575138363.db2.gz PBJHBRBNPDHBKY-XCBNKYQSSA-N -1 1 255.701 1.498 20 0 CDADMM O=C([O-])c1ccoc1CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000740249479 576450310 /nfs/dbraw/zinc/45/03/10/576450310.db2.gz WRCJJZFJTLGQHJ-OLZOCXBDSA-N -1 1 294.351 1.009 20 0 CDADMM CCO[C@H]1COCC[C@@H]1NC(=O)c1c([O-])cccc1Cl ZINC000760054152 576455307 /nfs/dbraw/zinc/45/53/07/576455307.db2.gz UYFQYOGLMAMBHE-JQWIXIFHSA-N -1 1 299.754 1.969 20 0 CDADMM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccccc1)N(C)C ZINC000769516286 575355091 /nfs/dbraw/zinc/35/50/91/575355091.db2.gz WFWIBBNJBVRFPS-JQWIXIFHSA-N -1 1 264.325 1.269 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)CN(C[C@@H](O)c2cccc(Cl)c2)C1 ZINC001601770820 1174997550 /nfs/dbraw/zinc/99/75/50/1174997550.db2.gz ZMFXTIOUZVADIF-RAIGVLPGSA-N -1 1 299.754 1.141 20 0 CDADMM 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/nfs/dbraw/zinc/11/48/35/602114835.db2.gz MQJPUHBYACSBBE-VIFPVBQESA-N -1 1 296.289 1.384 20 0 CDADMM C[C@@H](N[C@H](C)c1cn(-c2ccccc2)nn1)C(=O)[O-] ZINC000818046112 602130835 /nfs/dbraw/zinc/13/08/35/602130835.db2.gz GWUQLVUSOUUIJR-NXEZZACHSA-N -1 1 260.297 1.391 20 0 CDADMM C[C@@H](CC(=O)[O-])C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000827296247 602178144 /nfs/dbraw/zinc/17/81/44/602178144.db2.gz RHYAVMXFUIFZLV-QMMMGPOBSA-N -1 1 293.298 1.472 20 0 CDADMM Cc1cc(NC(=O)CN2CCC(C)CC2)c(C(=O)[O-])[nH]1 ZINC000832893025 602297819 /nfs/dbraw/zinc/29/78/19/602297819.db2.gz PQDIGJJFPDVMRG-UHFFFAOYSA-N -1 1 279.340 1.692 20 0 CDADMM Cc1cc(CC(=O)Nc2cc(C(=O)[O-])cs2)n[nH]1 ZINC000832883277 604314444 /nfs/dbraw/zinc/31/44/44/604314444.db2.gz JZRXSJTWTWKVTQ-UHFFFAOYSA-N -1 1 265.294 1.659 20 0 CDADMM C[C@@H]1CN(C(=O)N[C@@H]2CCCc3cn[nH]c32)C[C@H]1C(=O)[O-] ZINC000828347163 604539624 /nfs/dbraw/zinc/53/96/24/604539624.db2.gz CQSDWGKTQFXGDW-FBIMIBRVSA-N -1 1 292.339 1.149 20 0 CDADMM CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000866846328 617185967 /nfs/dbraw/zinc/18/59/67/617185967.db2.gz BZGKGDKDKVFYIC-SFYZADRCSA-N -1 1 294.323 1.045 20 0 CDADMM CC(C)(C)/C=C/C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833423760 604899250 /nfs/dbraw/zinc/89/92/50/604899250.db2.gz XLQNMLVHBLJHLH-YEZKRMTDSA-N -1 1 265.313 1.124 20 0 CDADMM O=C([O-])[C@@H](O)C1CCN(C[C@H](O)c2ccccc2F)CC1 ZINC000833770974 604981079 /nfs/dbraw/zinc/98/10/79/604981079.db2.gz SBABMHFWFVMPBV-KBPBESRZSA-N -1 1 297.326 1.017 20 0 CDADMM O=C([O-])[C@@H](O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000833770747 604982545 /nfs/dbraw/zinc/98/25/45/604982545.db2.gz MRSOJZYYJNDDAM-ZDUSSCGKSA-N -1 1 283.755 1.998 20 0 CDADMM C[C@H](CC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)C1CC1 ZINC000833513123 605108191 /nfs/dbraw/zinc/10/81/91/605108191.db2.gz FGAWKJZUKTWFCP-VXGBXAGGSA-N -1 1 282.384 1.430 20 0 CDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccncc1 ZINC000823294490 606196019 /nfs/dbraw/zinc/19/60/19/606196019.db2.gz CQIRAWUQWYBTIS-UHFFFAOYSA-N -1 1 282.263 1.220 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C[C@H]1C ZINC000820743085 606419453 /nfs/dbraw/zinc/41/94/53/606419453.db2.gz QEGNVQAEDFVHBD-OCAPTIKFSA-N -1 1 277.353 1.656 20 0 CDADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C[C@H]1C ZINC000820743085 606419454 /nfs/dbraw/zinc/41/94/54/606419454.db2.gz QEGNVQAEDFVHBD-OCAPTIKFSA-N -1 1 277.353 1.656 20 0 CDADMM CCN(CC)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821197387 606438216 /nfs/dbraw/zinc/43/82/16/606438216.db2.gz KFGPZECYULHDFX-UHFFFAOYSA-N -1 1 252.709 1.761 20 0 CDADMM CCN(CC)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821197387 606438217 /nfs/dbraw/zinc/43/82/17/606438217.db2.gz KFGPZECYULHDFX-UHFFFAOYSA-N -1 1 252.709 1.761 20 0 CDADMM [O-][n+]1ccccc1Oc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823738016 606440937 /nfs/dbraw/zinc/44/09/37/606440937.db2.gz NASKJRNFYOHGSB-UHFFFAOYSA-N -1 1 290.670 1.341 20 0 CDADMM [O-][n+]1ccccc1Oc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823738016 606440938 /nfs/dbraw/zinc/44/09/38/606440938.db2.gz NASKJRNFYOHGSB-UHFFFAOYSA-N -1 1 290.670 1.341 20 0 CDADMM CC(C)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820017242 606925860 /nfs/dbraw/zinc/92/58/60/606925860.db2.gz UOQJZJXXNNUIFR-QMMMGPOBSA-N -1 1 261.285 1.463 20 0 CDADMM CC(C)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820017242 606925862 /nfs/dbraw/zinc/92/58/62/606925862.db2.gz UOQJZJXXNNUIFR-QMMMGPOBSA-N -1 1 261.285 1.463 20 0 CDADMM C[C@H](CC(=O)Nc1ncc(-c2nnn[n-]2)s1)C1CC1 ZINC000820227073 607104028 /nfs/dbraw/zinc/10/40/28/607104028.db2.gz XMCMHYRYHNVQEE-ZCFIWIBFSA-N -1 1 278.341 1.698 20 0 CDADMM C[C@H](CC(=O)Nc1ncc(-c2nn[n-]n2)s1)C1CC1 ZINC000820227073 607104029 /nfs/dbraw/zinc/10/40/29/607104029.db2.gz XMCMHYRYHNVQEE-ZCFIWIBFSA-N -1 1 278.341 1.698 20 0 CDADMM c1nc(-c2nn[n-]n2)nn1Cc1cc2ccccc2o1 ZINC000823802546 607161722 /nfs/dbraw/zinc/16/17/22/607161722.db2.gz RXLQNDLPSWPNLP-UHFFFAOYSA-N -1 1 267.252 1.253 20 0 CDADMM Cc1nccc(Oc2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826330120 607866998 /nfs/dbraw/zinc/86/69/98/607866998.db2.gz GOHBJSVKYHHPQS-UHFFFAOYSA-N -1 1 272.243 1.897 20 0 CDADMM Cc1nccc(Oc2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826330120 607866999 /nfs/dbraw/zinc/86/69/99/607866999.db2.gz GOHBJSVKYHHPQS-UHFFFAOYSA-N -1 1 272.243 1.897 20 0 CDADMM CC(C)(C)[C@H](CO)Nc1cccc(-c2nnn[n-]2)n1 ZINC000824072014 607899510 /nfs/dbraw/zinc/89/95/10/607899510.db2.gz QQZXGPDJCDUFMC-VIFPVBQESA-N -1 1 262.317 1.081 20 0 CDADMM CC(C)(C)[C@H](CO)Nc1cccc(-c2nn[n-]n2)n1 ZINC000824072014 607899511 /nfs/dbraw/zinc/89/95/11/607899511.db2.gz QQZXGPDJCDUFMC-VIFPVBQESA-N -1 1 262.317 1.081 20 0 CDADMM FC(F)Cn1cc(Nc2cccc(-c3nnn[n-]3)n2)cn1 ZINC000826369583 607900088 /nfs/dbraw/zinc/90/00/88/607900088.db2.gz IWWMVCSFBQTGOZ-UHFFFAOYSA-N -1 1 292.253 1.467 20 0 CDADMM FC(F)Cn1cc(Nc2cccc(-c3nn[n-]n3)n2)cn1 ZINC000826369583 607900089 /nfs/dbraw/zinc/90/00/89/607900089.db2.gz IWWMVCSFBQTGOZ-UHFFFAOYSA-N -1 1 292.253 1.467 20 0 CDADMM Fc1cccc(Oc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826377973 607988201 /nfs/dbraw/zinc/98/82/01/607988201.db2.gz PFDVXFSKLSWDKS-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM Fc1cccc(Oc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826377973 607988202 /nfs/dbraw/zinc/98/82/02/607988202.db2.gz PFDVXFSKLSWDKS-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM Clc1cc(Cn2ccnc2-c2nnn[n-]2)cc(Cl)n1 ZINC000826350579 608012818 /nfs/dbraw/zinc/01/28/18/608012818.db2.gz CMBHQVRMQBHLJE-UHFFFAOYSA-N -1 1 296.121 1.813 20 0 CDADMM Clc1cc(Cn2ccnc2-c2nn[n-]n2)cc(Cl)n1 ZINC000826350579 608012819 /nfs/dbraw/zinc/01/28/19/608012819.db2.gz CMBHQVRMQBHLJE-UHFFFAOYSA-N -1 1 296.121 1.813 20 0 CDADMM CC1(C)OC[C@H](COc2cccc(F)c2-c2nnn[n-]2)O1 ZINC000824816807 608143873 /nfs/dbraw/zinc/14/38/73/608143873.db2.gz IEYMQFNJRSIHDN-QMMMGPOBSA-N -1 1 294.286 1.536 20 0 CDADMM CC1(C)OC[C@H](COc2cccc(F)c2-c2nn[n-]n2)O1 ZINC000824816807 608143874 /nfs/dbraw/zinc/14/38/74/608143874.db2.gz IEYMQFNJRSIHDN-QMMMGPOBSA-N -1 1 294.286 1.536 20 0 CDADMM CCC1(O)CCC(Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000825176079 608238707 /nfs/dbraw/zinc/23/87/07/608238707.db2.gz FMHJTYAVZNQPET-UHFFFAOYSA-N -1 1 288.355 1.757 20 0 CDADMM CCC1(O)CCC(Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000825176079 608238709 /nfs/dbraw/zinc/23/87/09/608238709.db2.gz FMHJTYAVZNQPET-UHFFFAOYSA-N -1 1 288.355 1.757 20 0 CDADMM CCCCC[S@](=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825276056 608386611 /nfs/dbraw/zinc/38/66/11/608386611.db2.gz NVBZLLWDKXSGFA-IBGZPJMESA-N -1 1 279.369 1.701 20 0 CDADMM CCCCC[S@](=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825276056 608386613 /nfs/dbraw/zinc/38/66/13/608386613.db2.gz NVBZLLWDKXSGFA-IBGZPJMESA-N -1 1 279.369 1.701 20 0 CDADMM CC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000825194760 608387903 /nfs/dbraw/zinc/38/79/03/608387903.db2.gz SPGWKPMZLKABLE-SECBINFHSA-N -1 1 259.317 1.426 20 0 CDADMM CC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000825194760 608387905 /nfs/dbraw/zinc/38/79/05/608387905.db2.gz SPGWKPMZLKABLE-SECBINFHSA-N -1 1 259.317 1.426 20 0 CDADMM c1ccc2c(c1)C[C@@H]2CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826523124 608402346 /nfs/dbraw/zinc/40/23/46/608402346.db2.gz BFBMDEBLYYHWER-SNVBAGLBSA-N -1 1 279.307 1.409 20 0 CDADMM c1ccc2c(c1)C[C@@H]2CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826523124 608402348 /nfs/dbraw/zinc/40/23/48/608402348.db2.gz BFBMDEBLYYHWER-SNVBAGLBSA-N -1 1 279.307 1.409 20 0 CDADMM c1ccc2c(c1)CCCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC000826523711 608416309 /nfs/dbraw/zinc/41/63/09/608416309.db2.gz VEHOJLYJDOPDGZ-UHFFFAOYSA-N -1 1 293.334 1.610 20 0 CDADMM c1ccc2c(c1)CCCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC000826523711 608416310 /nfs/dbraw/zinc/41/63/10/608416310.db2.gz VEHOJLYJDOPDGZ-UHFFFAOYSA-N -1 1 293.334 1.610 20 0 CDADMM CCn1nc(C)c(Nc2ccc(-c3nnn[n-]3)nn2)c1C ZINC000825807349 608424920 /nfs/dbraw/zinc/42/49/20/608424920.db2.gz QUADDDKOROWLIN-UHFFFAOYSA-N -1 1 285.315 1.234 20 0 CDADMM CCn1nc(C)c(Nc2ccc(-c3nn[n-]n3)nn2)c1C ZINC000825807349 608424921 /nfs/dbraw/zinc/42/49/21/608424921.db2.gz QUADDDKOROWLIN-UHFFFAOYSA-N -1 1 285.315 1.234 20 0 CDADMM FC1(F)CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826370036 608433462 /nfs/dbraw/zinc/43/34/62/608433462.db2.gz AOANTJLBOABQES-ZCFIWIBFSA-N -1 1 267.243 1.256 20 0 CDADMM FC1(F)CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826370036 608433460 /nfs/dbraw/zinc/43/34/60/608433460.db2.gz AOANTJLBOABQES-ZCFIWIBFSA-N -1 1 267.243 1.256 20 0 CDADMM Cc1ccc(OCCn2ccnc2-c2nnn[n-]2)cc1 ZINC000826291911 608888579 /nfs/dbraw/zinc/88/85/79/608888579.db2.gz BASLWDHXDNTRTD-UHFFFAOYSA-N -1 1 270.296 1.451 20 0 CDADMM Cc1ccc(OCCn2ccnc2-c2nn[n-]n2)cc1 ZINC000826291911 608888580 /nfs/dbraw/zinc/88/85/80/608888580.db2.gz BASLWDHXDNTRTD-UHFFFAOYSA-N -1 1 270.296 1.451 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C[C@@H]1F ZINC000824947100 609400194 /nfs/dbraw/zinc/40/01/94/609400194.db2.gz MKEBNOAFIPVSQA-SFYZADRCSA-N -1 1 295.343 1.748 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C[C@@H]1F ZINC000824947100 609400196 /nfs/dbraw/zinc/40/01/96/609400196.db2.gz MKEBNOAFIPVSQA-SFYZADRCSA-N -1 1 295.343 1.748 20 0 CDADMM C[C@H]1CCOCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000807193871 617242373 /nfs/dbraw/zinc/24/23/73/617242373.db2.gz XJBRYFFAXPZEPM-JTQLQIEISA-N -1 1 263.293 1.212 20 0 CDADMM CC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)c1ncccc1[O-] ZINC000962532743 613403378 /nfs/dbraw/zinc/40/33/78/613403378.db2.gz XWDQMTWWZBAGAQ-RYUDHWBXSA-N -1 1 289.335 1.013 20 0 CDADMM C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000866853706 617395683 /nfs/dbraw/zinc/39/56/83/617395683.db2.gz ADSIMUDLMLOUQD-HTQZYQBOSA-N -1 1 294.323 1.045 20 0 CDADMM CCOCCO[N-]C(=O)[C@@H](C)c1cccc(O)c1 ZINC000935452806 617417042 /nfs/dbraw/zinc/41/70/42/617417042.db2.gz AANNXPDEDLXEPV-JTQLQIEISA-N -1 1 253.298 1.580 20 0 CDADMM O=C(/C=C\CN1CCOCC1)Nc1ccc([O-])c(Cl)c1 ZINC000866868214 617443339 /nfs/dbraw/zinc/44/33/39/617443339.db2.gz GYWJJYFOAOZGNP-UPHRSURJSA-N -1 1 296.754 1.873 20 0 CDADMM CO[C@@H](C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)C(C)C ZINC000891619231 617507554 /nfs/dbraw/zinc/50/75/54/617507554.db2.gz YTKLKPBQEFDKFD-LLVKDONJSA-N -1 1 279.340 1.671 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@H]1CCSC1 ZINC000891621098 617508965 /nfs/dbraw/zinc/50/89/65/617508965.db2.gz FQTIOUFXVBQSQL-QMMMGPOBSA-N -1 1 279.365 1.753 20 0 CDADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@@H]1CCCOC1 ZINC000891624085 617510944 /nfs/dbraw/zinc/51/09/44/617510944.db2.gz VXUMQZZXXLWKMR-SECBINFHSA-N -1 1 277.324 1.426 20 0 CDADMM CC[C@@H](F)CN1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000981026644 615516932 /nfs/dbraw/zinc/51/69/32/615516932.db2.gz HPJSLGVTNWIAIV-GFCCVEGCSA-N -1 1 295.358 1.683 20 0 CDADMM CCOCCOCCOC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000729071826 620712238 /nfs/dbraw/zinc/71/22/38/620712238.db2.gz DUJRCSJVYOEYST-UHFFFAOYSA-N -1 1 294.307 1.880 20 0 CDADMM COCc1nc(N[C@@H](CCO)C(C)C)cc(=O)[n-]1 ZINC000892693184 617596851 /nfs/dbraw/zinc/59/68/51/617596851.db2.gz FUDZZOIUUICWPY-VIFPVBQESA-N -1 1 255.318 1.148 20 0 CDADMM COCc1nc(N2CCC[C@@](C)(OC)C2)cc(=O)[n-]1 ZINC000893591541 617630369 /nfs/dbraw/zinc/63/03/69/617630369.db2.gz HBFJBEUXDYOVNL-CYBMUJFWSA-N -1 1 267.329 1.334 20 0 CDADMM CCCCC[C@@H](NC(=O)CN1CCCC1)C(=O)[O-] ZINC000909342084 617803019 /nfs/dbraw/zinc/80/30/19/617803019.db2.gz KBYHHRMGOPCFLS-LLVKDONJSA-N -1 1 256.346 1.232 20 0 CDADMM CN1C(=O)CCC[C@@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000909373426 617994733 /nfs/dbraw/zinc/99/47/33/617994733.db2.gz YBOCBSWVSFMNJX-MRVPVSSYSA-N -1 1 284.262 1.620 20 0 CDADMM COCc1nc(N2CCOC3(CCC3)C2)cc(=O)[n-]1 ZINC000893054591 618103079 /nfs/dbraw/zinc/10/30/79/618103079.db2.gz GNVBZKGOUQBTAM-UHFFFAOYSA-N -1 1 265.313 1.088 20 0 CDADMM Cc1cc([C@H](NCc2cnnn2C)C(=O)[O-])ccc1F ZINC000901842640 618293950 /nfs/dbraw/zinc/29/39/50/618293950.db2.gz LIKWDHKHJCHITF-LBPRGKRZSA-N -1 1 278.287 1.178 20 0 CDADMM O=C([O-])[C@H]1CSCCN(Cc2nc3c(s2)CCC3)C1 ZINC000901890542 618318822 /nfs/dbraw/zinc/31/88/22/618318822.db2.gz ODGAEJSARSPUJL-SECBINFHSA-N -1 1 298.433 1.881 20 0 CDADMM COCc1nc(N[C@@H]([C@@H](CO)C2CC2)C2CC2)cc(=O)[n-]1 ZINC000894068871 618339273 /nfs/dbraw/zinc/33/92/73/618339273.db2.gz 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/nfs/dbraw/zinc/01/45/43/620014543.db2.gz JOGDRFAJSKWRIQ-VIFPVBQESA-N -1 1 289.339 1.336 20 0 CDADMM C[C@H](C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-])N(C)C ZINC000909532930 620028065 /nfs/dbraw/zinc/02/80/65/620028065.db2.gz LNZMTNQLNQKPDO-GBIKHYSHSA-N -1 1 256.346 1.086 20 0 CDADMM O=c1nc(NCCO[C@H]2CCOC2)cc(Cl)[n-]1 ZINC000896472954 620103339 /nfs/dbraw/zinc/10/33/39/620103339.db2.gz GIVGSXCXQZZEHZ-ZETCQYMHSA-N -1 1 259.693 1.053 20 0 CDADMM C[C@H](CO)N(C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897259921 620449597 /nfs/dbraw/zinc/44/95/97/620449597.db2.gz RUFQRVYATSMXEQ-SECBINFHSA-N -1 1 275.304 1.704 20 0 CDADMM O=C(CSc1ccncc1)N[N-]C(=O)c1cccs1 ZINC000042235981 620898218 /nfs/dbraw/zinc/89/82/18/620898218.db2.gz JYRINYGIVVNTBJ-UHFFFAOYSA-N -1 1 293.373 1.696 20 0 CDADMM CC[C@H](CNC(=O)c1[nH]nc2c1C[C@@H](C)CC2)C(=O)[O-] ZINC000902841821 625496553 /nfs/dbraw/zinc/49/65/53/625496553.db2.gz AKHLSDRKLNOCQO-DTWKUNHWSA-N -1 1 279.340 1.375 20 0 CDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)[C@@H]1CCC[C@H]1O 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CNc1ccc(Nc2[n-]c(=O)nc3nc[nH]c32)cn1 ZINC001170231506 1162307697 /nfs/dbraw/zinc/30/76/97/1162307697.db2.gz CIXQTXISOZZUHK-UHFFFAOYSA-N -1 1 257.257 1.239 20 0 CDADMM Cn1ccc2ncc(Nc3[n-]c(=O)nc4nc[nH]c43)cc21 ZINC001170228129 1162317287 /nfs/dbraw/zinc/31/72/87/1162317287.db2.gz DMJRDSARWLDLHM-UHFFFAOYSA-N -1 1 281.279 1.689 20 0 CDADMM O=c1[n-]c2nc(=O)[nH]c(Nc3cccc4c3CCCO4)c2[nH]1 ZINC001170223258 1162314544 /nfs/dbraw/zinc/31/45/44/1162314544.db2.gz KYJWHUSVDYXVSL-UHFFFAOYSA-N -1 1 299.290 1.784 20 0 CDADMM CN1CCOc2ccc(Nc3[n-]c(=O)nc4nc[nH]c43)cc21 ZINC001170229782 1162319162 /nfs/dbraw/zinc/31/91/62/1162319162.db2.gz BHNFWEYPVXGAJZ-UHFFFAOYSA-N -1 1 298.306 1.631 20 0 CDADMM O=C(Cn1cccn1)Nc1ccc([O-])c(F)c1F ZINC001157805152 1162437335 /nfs/dbraw/zinc/43/73/35/1162437335.db2.gz BIJDZYRGUWPSMK-UHFFFAOYSA-N -1 1 253.208 1.506 20 0 CDADMM COc1ccc(OC(C)C)c(COCc2nn[n-]n2)c1 ZINC001223028211 1159722648 /nfs/dbraw/zinc/72/26/48/1159722648.db2.gz YPDYRLKMYRXXPF-UHFFFAOYSA-N -1 1 278.312 1.712 20 0 CDADMM CCC[C@H](CCO)NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001604144878 1163105092 /nfs/dbraw/zinc/10/50/92/1163105092.db2.gz NVIKYYPNKRSNBA-SECBINFHSA-N -1 1 293.327 1.049 20 0 CDADMM CCC[C@H](CCO)NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001604144878 1163105096 /nfs/dbraw/zinc/10/50/96/1163105096.db2.gz NVIKYYPNKRSNBA-SECBINFHSA-N -1 1 293.327 1.049 20 0 CDADMM CCC[C@@H]1C[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001604238440 1163132478 /nfs/dbraw/zinc/13/24/78/1163132478.db2.gz QUGNSANJTKPVBX-GHMZBOCLSA-N -1 1 287.323 1.741 20 0 CDADMM CCC[C@@H]1C[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001604238440 1163132484 /nfs/dbraw/zinc/13/24/84/1163132484.db2.gz QUGNSANJTKPVBX-GHMZBOCLSA-N -1 1 287.323 1.741 20 0 CDADMM C[C@@H](NC[C@@H](O)CC(C)(C)O)c1ncc(C(=O)[O-])s1 ZINC001604333277 1163154437 /nfs/dbraw/zinc/15/44/37/1163154437.db2.gz SBWPNDWPOHNMAE-SFYZADRCSA-N -1 1 288.369 1.014 20 0 CDADMM C[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC001604500275 1163209682 /nfs/dbraw/zinc/20/96/82/1163209682.db2.gz SLWNHFWUQOKGIJ-AWEZNQCLSA-N -1 1 263.293 1.681 20 0 CDADMM CCc1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)nn1C ZINC001604517657 1163216195 /nfs/dbraw/zinc/21/61/95/1163216195.db2.gz GYMCNYUMRBBVRK-UHFFFAOYSA-N -1 1 287.283 1.008 20 0 CDADMM CCn1cccc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001604611028 1163246751 /nfs/dbraw/zinc/24/67/51/1163246751.db2.gz IGRGEVMTAJYHOA-UHFFFAOYSA-N -1 1 298.306 1.646 20 0 CDADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1nc(N)c2ccccc2n1 ZINC001604637083 1163262543 /nfs/dbraw/zinc/26/25/43/1163262543.db2.gz MBHKRFZJSKCTAP-ZJUUUORDSA-N -1 1 286.335 1.507 20 0 CDADMM CO[C@H](CNc1ccc(-c2nnn[n-]2)nn1)CC(C)C ZINC001605007668 1163413249 /nfs/dbraw/zinc/41/32/49/1163413249.db2.gz CSILVGCHJIXSLF-VIFPVBQESA-N -1 1 277.332 1.130 20 0 CDADMM CO[C@H](CNc1ccc(-c2nn[n-]n2)nn1)CC(C)C ZINC001605007668 1163413254 /nfs/dbraw/zinc/41/32/54/1163413254.db2.gz CSILVGCHJIXSLF-VIFPVBQESA-N -1 1 277.332 1.130 20 0 CDADMM COCCC(C)(C)CNc1nccnc1-c1nnn[n-]1 ZINC001605079095 1163443902 /nfs/dbraw/zinc/44/39/02/1163443902.db2.gz PPFHIKILXWIJOC-UHFFFAOYSA-N -1 1 277.332 1.131 20 0 CDADMM COc1ccc(OC(=O)c2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001605302648 1163520070 /nfs/dbraw/zinc/52/00/70/1163520070.db2.gz DLQQPBDRAQVVHM-UHFFFAOYSA-N -1 1 297.274 1.490 20 0 CDADMM COc1ccc(OC(=O)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001605302648 1163520077 /nfs/dbraw/zinc/52/00/77/1163520077.db2.gz DLQQPBDRAQVVHM-UHFFFAOYSA-N -1 1 297.274 1.490 20 0 CDADMM CCOC(=O)/C=C/CN1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001605531092 1163599022 /nfs/dbraw/zinc/59/90/22/1163599022.db2.gz IPTQWGYHYQARMF-GPAKFWEMSA-N -1 1 289.331 1.617 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H]2c2ccccc2)n1 ZINC001605572699 1163613798 /nfs/dbraw/zinc/61/37/98/1163613798.db2.gz LGMONRADRZKFBF-NEPJUHHUSA-N -1 1 293.334 1.933 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H]2c2ccccc2)n1 ZINC001605572699 1163613801 /nfs/dbraw/zinc/61/38/01/1163613801.db2.gz LGMONRADRZKFBF-NEPJUHHUSA-N -1 1 293.334 1.933 20 0 CDADMM CCOc1ccccc1[C@@H](N)CC(=O)NC[C@H](C)C(=O)[O-] ZINC001605715694 1163648116 /nfs/dbraw/zinc/64/81/16/1163648116.db2.gz QXKGTPBVHBNUOC-JQWIXIFHSA-N -1 1 294.351 1.312 20 0 CDADMM Cc1cc(N[C@H](C)CC[S@](C)=O)cc(-c2nnn[n-]2)n1 ZINC001605722201 1163651673 /nfs/dbraw/zinc/65/16/73/1163651673.db2.gz ZMNBOFFEGBRJQY-SQFXPLBJSA-N -1 1 294.384 1.139 20 0 CDADMM Cc1cc(N[C@H](C)CC[S@](C)=O)cc(-c2nn[n-]n2)n1 ZINC001605722201 1163651678 /nfs/dbraw/zinc/65/16/78/1163651678.db2.gz ZMNBOFFEGBRJQY-SQFXPLBJSA-N -1 1 294.384 1.139 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC[C@](C)(O)CC1 ZINC001605802711 1163675086 /nfs/dbraw/zinc/67/50/86/1163675086.db2.gz DLFXLALKAOOJIN-AWEZNQCLSA-N -1 1 288.355 1.311 20 0 CDADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCO[C@H](C2CC2)C1 ZINC001605803022 1163676868 /nfs/dbraw/zinc/67/68/68/1163676868.db2.gz UWJOJDSWAMRKND-LBPRGKRZSA-N -1 1 286.339 1.185 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCO[C@H](C2CC2)C1 ZINC001605803022 1163676874 /nfs/dbraw/zinc/67/68/74/1163676874.db2.gz UWJOJDSWAMRKND-LBPRGKRZSA-N -1 1 286.339 1.185 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCC(C)(C)C(C)(C)O ZINC001605804505 1163677403 /nfs/dbraw/zinc/67/74/03/1163677403.db2.gz MAVODXLLWKAOLV-UHFFFAOYSA-N -1 1 290.371 1.779 20 0 CDADMM CCc1ccc(NC(=O)N2CCN[C@@H](C)C2)c(C(=O)[O-])c1 ZINC001605820573 1163678836 /nfs/dbraw/zinc/67/88/36/1163678836.db2.gz YXTRYCUASYYFBT-JTQLQIEISA-N -1 1 291.351 1.773 20 0 CDADMM Cc1ccc(N[C@@H](C)CC[S@](C)=O)c(-c2nnn[n-]2)n1 ZINC001605871956 1163699197 /nfs/dbraw/zinc/69/91/97/1163699197.db2.gz OVAIOBMTVWBJML-LXGOIASLSA-N -1 1 294.384 1.139 20 0 CDADMM Cc1ccc(N[C@@H](C)CC[S@](C)=O)c(-c2nn[n-]n2)n1 ZINC001605871956 1163699205 /nfs/dbraw/zinc/69/92/05/1163699205.db2.gz OVAIOBMTVWBJML-LXGOIASLSA-N -1 1 294.384 1.139 20 0 CDADMM CCc1oc(CN2CCC[C@](CO)(OC)C2)cc1C(=O)[O-] ZINC001605890894 1163708229 /nfs/dbraw/zinc/70/82/29/1163708229.db2.gz YSQGYAOGKDLIND-HNNXBMFYSA-N -1 1 297.351 1.514 20 0 CDADMM CCn1cc([C@@H](C)NCc2cncc(C(=O)[O-])c2)cn1 ZINC001605917880 1163713426 /nfs/dbraw/zinc/71/34/26/1163713426.db2.gz DKPZCULUTWVRLP-SNVBAGLBSA-N -1 1 274.324 1.847 20 0 CDADMM Cc1cccc2c1N(C(=O)c1coc(-c3nnn[n-]3)c1)CC2 ZINC001605931139 1163717237 /nfs/dbraw/zinc/71/72/37/1163717237.db2.gz SQWGAVUCFAXZIQ-UHFFFAOYSA-N -1 1 295.302 1.971 20 0 CDADMM Cc1cccc2c1N(C(=O)c1coc(-c3nn[n-]n3)c1)CC2 ZINC001605931139 1163717245 /nfs/dbraw/zinc/71/72/45/1163717245.db2.gz SQWGAVUCFAXZIQ-UHFFFAOYSA-N -1 1 295.302 1.971 20 0 CDADMM Cc1nc(NCC[C@@H]2CCSC2)cc(-c2nnn[n-]2)n1 ZINC001606071945 1163763922 /nfs/dbraw/zinc/76/39/22/1163763922.db2.gz SEGIWMJTALSHEP-SECBINFHSA-N -1 1 291.384 1.520 20 0 CDADMM Cc1nc(NCC[C@@H]2CCSC2)cc(-c2nn[n-]n2)n1 ZINC001606071945 1163763928 /nfs/dbraw/zinc/76/39/28/1163763928.db2.gz SEGIWMJTALSHEP-SECBINFHSA-N -1 1 291.384 1.520 20 0 CDADMM Cc1nc(NCc2ccnc(F)c2)cc(-c2nnn[n-]2)n1 ZINC001606077596 1163764771 /nfs/dbraw/zinc/76/47/71/1163764771.db2.gz XWJKWUSBJBDXCX-UHFFFAOYSA-N -1 1 286.274 1.111 20 0 CDADMM Cc1nc(NCc2ccnc(F)c2)cc(-c2nn[n-]n2)n1 ZINC001606077596 1163764774 /nfs/dbraw/zinc/76/47/74/1163764774.db2.gz XWJKWUSBJBDXCX-UHFFFAOYSA-N -1 1 286.274 1.111 20 0 CDADMM Cc1nn(C)c(NC(=O)C2(F)CCCC2)c1-c1nnn[n-]1 ZINC001606109928 1163776126 /nfs/dbraw/zinc/77/61/26/1163776126.db2.gz CYWHCPLMOQJAGG-UHFFFAOYSA-N -1 1 293.306 1.129 20 0 CDADMM Cc1nn(C)c(NC(=O)C2(F)CCCC2)c1-c1nn[n-]n1 ZINC001606109928 1163776131 /nfs/dbraw/zinc/77/61/31/1163776131.db2.gz CYWHCPLMOQJAGG-UHFFFAOYSA-N -1 1 293.306 1.129 20 0 CDADMM CN(CCO[C@@H]1CCOC1)Cc1ccc(C(=O)[O-])cn1 ZINC001606134342 1163782352 /nfs/dbraw/zinc/78/23/52/1163782352.db2.gz ZYCQRWIVTGEPEK-CYBMUJFWSA-N -1 1 280.324 1.017 20 0 CDADMM CN(Cc1ccccn1)C[C@@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001606170204 1163796931 /nfs/dbraw/zinc/79/69/31/1163796931.db2.gz VZWXHFAQJNTSHB-ZJUUUORDSA-N -1 1 256.252 1.479 20 0 CDADMM Cn1cc(Nc2ccc(-c3nnn[n-]3)nn2)c(C2CC2)n1 ZINC001606243796 1163828262 /nfs/dbraw/zinc/82/82/62/1163828262.db2.gz QRLGVIHSKNBCKB-UHFFFAOYSA-N -1 1 283.299 1.011 20 0 CDADMM Cn1cc(Nc2ccc(-c3nn[n-]n3)nn2)c(C2CC2)n1 ZINC001606243796 1163828264 /nfs/dbraw/zinc/82/82/64/1163828264.db2.gz QRLGVIHSKNBCKB-UHFFFAOYSA-N -1 1 283.299 1.011 20 0 CDADMM Fc1cccc(CCNc2ncncc2-c2nn[n-]n2)c1 ZINC001606328185 1163861572 /nfs/dbraw/zinc/86/15/72/1163861572.db2.gz WLQAXXIQMIORPG-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM O=C(C=Cc1ccc[nH]1)OCc1cccnc1-c1nnn[n-]1 ZINC001606481429 1163913659 /nfs/dbraw/zinc/91/36/59/1163913659.db2.gz AULHVDHCNIJXGC-WAYWQWQTSA-N -1 1 296.290 1.346 20 0 CDADMM O=C(C=Cc1ccc[nH]1)OCc1cccnc1-c1nn[n-]n1 ZINC001606481429 1163913667 /nfs/dbraw/zinc/91/36/67/1163913667.db2.gz AULHVDHCNIJXGC-WAYWQWQTSA-N -1 1 296.290 1.346 20 0 CDADMM COC(=O)c1cc(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)on1 ZINC001606542496 1163927970 /nfs/dbraw/zinc/92/79/70/1163927970.db2.gz FXOYYNIZZIICPM-WCBMZHEXSA-N -1 1 282.296 1.004 20 0 CDADMM COC(=O)c1ccc(CN[C@H](CC(F)(F)F)C(=O)[O-])o1 ZINC001606588804 1163933802 /nfs/dbraw/zinc/93/38/02/1163933802.db2.gz FPMFNRIDTPDDHU-SSDOTTSWSA-N -1 1 295.213 1.561 20 0 CDADMM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606663220 1163953200 /nfs/dbraw/zinc/95/32/00/1163953200.db2.gz LVRKSMZLEFDNJZ-INTQDDNPSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606663220 1163953202 /nfs/dbraw/zinc/95/32/02/1163953202.db2.gz LVRKSMZLEFDNJZ-INTQDDNPSA-N -1 1 284.323 1.180 20 0 CDADMM CO[C@]1(C(F)(F)F)CCN(C/C(C)=C\C(=O)[O-])C1 ZINC001606714944 1163969979 /nfs/dbraw/zinc/96/99/79/1163969979.db2.gz QCCULIGVTSAUOH-DAGBOUIGSA-N -1 1 267.247 1.671 20 0 CDADMM O=C(NCC1CCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606722424 1163971700 /nfs/dbraw/zinc/97/17/00/1163971700.db2.gz INMHDLZKRYHPIY-UHFFFAOYSA-N -1 1 275.287 1.536 20 0 CDADMM O=C(NCC1CCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606722424 1163971706 /nfs/dbraw/zinc/97/17/06/1163971706.db2.gz INMHDLZKRYHPIY-UHFFFAOYSA-N -1 1 275.287 1.536 20 0 CDADMM O=C(NCCC1CC=CC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606761993 1163986350 /nfs/dbraw/zinc/98/63/50/1163986350.db2.gz RWBMMTUFEKXDGB-UHFFFAOYSA-N -1 1 299.338 1.740 20 0 CDADMM O=C(NCCC1CC=CC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606761993 1163986354 /nfs/dbraw/zinc/98/63/54/1163986354.db2.gz RWBMMTUFEKXDGB-UHFFFAOYSA-N -1 1 299.338 1.740 20 0 CDADMM O=C(NCc1cccs1)c1ccc(-c2nnn[n-]2)o1 ZINC001606839944 1164010766 /nfs/dbraw/zinc/01/07/66/1164010766.db2.gz YCZVWEXEXZEUHP-UHFFFAOYSA-N -1 1 275.293 1.451 20 0 CDADMM O=C(NCc1cccs1)c1ccc(-c2nn[n-]n2)o1 ZINC001606839944 1164010769 /nfs/dbraw/zinc/01/07/69/1164010769.db2.gz YCZVWEXEXZEUHP-UHFFFAOYSA-N -1 1 275.293 1.451 20 0 CDADMM O=C(OC1CCCCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001606962570 1164039754 /nfs/dbraw/zinc/03/97/54/1164039754.db2.gz CCSUYIDERGBKDH-UHFFFAOYSA-N -1 1 273.296 1.751 20 0 CDADMM O=C(OC1CCCCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001606962570 1164039759 /nfs/dbraw/zinc/03/97/59/1164039759.db2.gz CCSUYIDERGBKDH-UHFFFAOYSA-N -1 1 273.296 1.751 20 0 CDADMM O=Cc1cnc(Oc2cccc(F)c2-c2nnn[n-]2)nc1 ZINC001607057162 1164069017 /nfs/dbraw/zinc/06/90/17/1164069017.db2.gz DUZLWYVIIMSJPX-UHFFFAOYSA-N -1 1 286.226 1.401 20 0 CDADMM O=Cc1cnc(Oc2cccc(F)c2-c2nn[n-]n2)nc1 ZINC001607057162 1164069022 /nfs/dbraw/zinc/06/90/22/1164069022.db2.gz DUZLWYVIIMSJPX-UHFFFAOYSA-N -1 1 286.226 1.401 20 0 CDADMM c1cc(CN2CCOCC23CCC3)nc(-c2nn[n-]n2)c1 ZINC001607118501 1164101410 /nfs/dbraw/zinc/10/14/10/1164101410.db2.gz GRDGCZWIUGLBRY-UHFFFAOYSA-N -1 1 286.339 1.017 20 0 CDADMM c1oc(-c2nnn[n-]2)cc1-c1nc(Cc2ccncc2)no1 ZINC001607120724 1164103564 /nfs/dbraw/zinc/10/35/64/1164103564.db2.gz WMNOJGNPRRMSHG-UHFFFAOYSA-N -1 1 295.262 1.496 20 0 CDADMM c1oc(-c2nn[n-]n2)cc1-c1nc(Cc2ccncc2)no1 ZINC001607120724 1164103568 /nfs/dbraw/zinc/10/35/68/1164103568.db2.gz WMNOJGNPRRMSHG-UHFFFAOYSA-N -1 1 295.262 1.496 20 0 CDADMM c1ccc([C@H]2CCN(c3cc(-c4nnn[n-]4)ncn3)C2)nc1 ZINC001607128202 1164107570 /nfs/dbraw/zinc/10/75/70/1164107570.db2.gz BJLGMJKNWHGRGA-JTQLQIEISA-N -1 1 294.322 1.046 20 0 CDADMM c1ccc([C@H]2CCN(c3cc(-c4nn[n-]n4)ncn3)C2)nc1 ZINC001607128202 1164107574 /nfs/dbraw/zinc/10/75/74/1164107574.db2.gz BJLGMJKNWHGRGA-JTQLQIEISA-N -1 1 294.322 1.046 20 0 CDADMM c1ccc(C[C@H]2C[C@H]2Nc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001607129646 1164110771 /nfs/dbraw/zinc/11/07/71/1164110771.db2.gz NLHIAIRTLQOGSZ-GXTWGEPZSA-N -1 1 292.346 1.727 20 0 CDADMM c1ccc(C[C@H]2C[C@H]2Nc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001607129646 1164110776 /nfs/dbraw/zinc/11/07/76/1164110776.db2.gz NLHIAIRTLQOGSZ-GXTWGEPZSA-N -1 1 292.346 1.727 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OC[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1 ZINC001607134084 1164112670 /nfs/dbraw/zinc/11/26/70/1164112670.db2.gz UUYGMUBFNJZEKV-DCAQKATOSA-N -1 1 287.323 1.598 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OC[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1 ZINC001607134084 1164112678 /nfs/dbraw/zinc/11/26/78/1164112678.db2.gz UUYGMUBFNJZEKV-DCAQKATOSA-N -1 1 287.323 1.598 20 0 CDADMM c1nc(N2C3CCCC2CCC3)cnc1-c1nnn[n-]1 ZINC001607137290 1164117128 /nfs/dbraw/zinc/11/71/28/1164117128.db2.gz OMTAZZIPUJVNLT-UHFFFAOYSA-N -1 1 271.328 1.568 20 0 CDADMM c1nc(N2C3CCCC2CCC3)cnc1-c1nn[n-]n1 ZINC001607137290 1164117133 /nfs/dbraw/zinc/11/71/33/1164117133.db2.gz OMTAZZIPUJVNLT-UHFFFAOYSA-N -1 1 271.328 1.568 20 0 CDADMM c1cc(-c2nnn[n-]2)oc1CNc1cnn(C2CCC2)c1 ZINC001607138596 1164117699 /nfs/dbraw/zinc/11/76/99/1164117699.db2.gz UZPPNEHLWLCJSB-UHFFFAOYSA-N -1 1 285.311 1.993 20 0 CDADMM c1cc(-c2nn[n-]n2)oc1CNc1cnn(C2CCC2)c1 ZINC001607138596 1164117703 /nfs/dbraw/zinc/11/77/03/1164117703.db2.gz UZPPNEHLWLCJSB-UHFFFAOYSA-N -1 1 285.311 1.993 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NC[C@@H]2C[C@H]3CCC[C@H]3O2)n1 ZINC001607139025 1164120088 /nfs/dbraw/zinc/12/00/88/1164120088.db2.gz SRNPUJQFAIWKIU-WCABBAIRSA-N -1 1 287.327 1.026 20 0 CDADMM c1ncc(N2CCC[C@@H]2C2CCC2)nc1-c1nnn[n-]1 ZINC001607139240 1164120712 /nfs/dbraw/zinc/12/07/12/1164120712.db2.gz YJYXJBNODOJSFS-LLVKDONJSA-N -1 1 271.328 1.426 20 0 CDADMM c1ncc(N2CCC[C@@H]2C2CCC2)nc1-c1nn[n-]n1 ZINC001607139240 1164120716 /nfs/dbraw/zinc/12/07/16/1164120716.db2.gz YJYXJBNODOJSFS-LLVKDONJSA-N -1 1 271.328 1.426 20 0 CDADMM COc1ccc(CN2CC(c3cc(C(=O)[O-])n[nH]3)C2)cc1 ZINC001607252856 1164136929 /nfs/dbraw/zinc/13/69/29/1164136929.db2.gz BWOJAUYWXHGKDJ-UHFFFAOYSA-N -1 1 287.319 1.716 20 0 CDADMM C[C@@H]1CN(CC(=O)OCc2ccccc2)C[C@H]1CC(=O)[O-] ZINC001607437543 1164180647 /nfs/dbraw/zinc/18/06/47/1164180647.db2.gz VMPBSXLFSRZRMG-TZMCWYRMSA-N -1 1 291.347 1.772 20 0 CDADMM Cc1cc(C(=O)CN2CC[C@H](C(=O)[O-])[C@H]2C)c(C)n1C ZINC001607567588 1164226949 /nfs/dbraw/zinc/22/69/49/1164226949.db2.gz PDWMJFBYKUDGDQ-NEPJUHHUSA-N -1 1 278.352 1.620 20 0 CDADMM Cc1cc(C(=O)[O-])oc1C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC001607602220 1164234794 /nfs/dbraw/zinc/23/47/94/1164234794.db2.gz NRMLGLAFLPAQQN-LLVKDONJSA-N -1 1 294.351 1.698 20 0 CDADMM Cc1cc(C(=O)[O-])oc1C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC001607602220 1164234802 /nfs/dbraw/zinc/23/48/02/1164234802.db2.gz NRMLGLAFLPAQQN-LLVKDONJSA-N -1 1 294.351 1.698 20 0 CDADMM Cc1cc(C)cc(NC(=O)CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1 ZINC001607628055 1164243506 /nfs/dbraw/zinc/24/35/06/1164243506.db2.gz SWRIKWQZSAHJBZ-NHAGDIPZSA-N -1 1 288.347 1.504 20 0 CDADMM Cc1cc(CN2CCC(C)(O)CC2)[nH]c1C(=O)[O-] ZINC001607637883 1164249292 /nfs/dbraw/zinc/24/92/92/1164249292.db2.gz IXDLHFBDCVVWPH-UHFFFAOYSA-N -1 1 252.314 1.368 20 0 CDADMM Cc1cc(CN2CCOCC3(CC3)C2)[nH]c1C(=O)[O-] ZINC001607641901 1164254227 /nfs/dbraw/zinc/25/42/27/1164254227.db2.gz PPJMADORLHADSS-UHFFFAOYSA-N -1 1 264.325 1.634 20 0 CDADMM COc1ccc(Nc2c(N)[nH]c(=S)[n-]c2=O)cc1 ZINC001173805837 1164298036 /nfs/dbraw/zinc/29/80/36/1164298036.db2.gz ZQJFPQZKCRYIMP-UHFFFAOYSA-N -1 1 264.310 1.805 20 0 CDADMM Cc1[nH+]c(N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)ccc1C(=O)[O-] ZINC001607961366 1164355100 /nfs/dbraw/zinc/35/51/00/1164355100.db2.gz UPRIZVOZRJKKTQ-KCJUWKMLSA-N -1 1 278.308 1.635 20 0 CDADMM Cc1oncc1NS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001608058024 1164396975 /nfs/dbraw/zinc/39/69/75/1164396975.db2.gz GDSFXLNHOIRVTC-UHFFFAOYSA-N -1 1 288.325 1.370 20 0 CDADMM NCc1cc(C(=O)N[C@@H](CC(=O)[O-])C2CCCC2)ccn1 ZINC001608257901 1164472067 /nfs/dbraw/zinc/47/20/67/1164472067.db2.gz QHQFQTFFEZUXJB-ZDUSSCGKSA-N -1 1 291.351 1.304 20 0 CDADMM O=C([O-])[C@H](c1c(F)cccc1Cl)N1CC[C@@H](CO)C1 ZINC001608560361 1164546649 /nfs/dbraw/zinc/54/66/49/1164546649.db2.gz ZQDCLNCROANHDF-PELKAZGASA-N -1 1 287.718 1.919 20 0 CDADMM O=C([O-])c1ccc(NC(=O)[C@@H]2CCCc3[nH]ncc32)cn1 ZINC001608899962 1164679585 /nfs/dbraw/zinc/67/95/85/1164679585.db2.gz NQCFVBZFXKCPOE-SECBINFHSA-N -1 1 286.291 1.562 20 0 CDADMM O=C([O-])c1cccc(C(=O)Nc2cccc3[nH]nnc32)n1 ZINC001608929478 1164685545 /nfs/dbraw/zinc/68/55/45/1164685545.db2.gz NRBMUEXKOUMOIH-UHFFFAOYSA-N -1 1 283.247 1.303 20 0 CDADMM CC(C)Cn1ccnc1CNc1cccnc1-c1nnn[n-]1 ZINC001609097228 1164770163 /nfs/dbraw/zinc/77/01/63/1164770163.db2.gz JWOCQTCXHBJFML-UHFFFAOYSA-N -1 1 298.354 1.726 20 0 CDADMM CC(C)Cn1ccnc1CNc1cccnc1-c1nn[n-]n1 ZINC001609097228 1164770170 /nfs/dbraw/zinc/77/01/70/1164770170.db2.gz JWOCQTCXHBJFML-UHFFFAOYSA-N -1 1 298.354 1.726 20 0 CDADMM CC1(C)C[C@H](CNc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001609144292 1164794058 /nfs/dbraw/zinc/79/40/58/1164794058.db2.gz PKVFUEFBVCRLKM-SNVBAGLBSA-N -1 1 288.355 1.879 20 0 CDADMM CC1(C)C[C@H](CNc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001609144292 1164794064 /nfs/dbraw/zinc/79/40/64/1164794064.db2.gz PKVFUEFBVCRLKM-SNVBAGLBSA-N -1 1 288.355 1.879 20 0 CDADMM C[C@@]1(CNc2cc(-c3nnn[n-]3)ncn2)CCCC[C@@H]1O ZINC001609149367 1164796533 /nfs/dbraw/zinc/79/65/33/1164796533.db2.gz KSHZTNHHFRXYKV-GWCFXTLKSA-N -1 1 289.343 1.010 20 0 CDADMM C[C@@]1(CNc2cc(-c3nn[n-]n3)ncn2)CCCC[C@@H]1O ZINC001609149367 1164796539 /nfs/dbraw/zinc/79/65/39/1164796539.db2.gz KSHZTNHHFRXYKV-GWCFXTLKSA-N -1 1 289.343 1.010 20 0 CDADMM C[C@H]1[C@@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H]1C ZINC001609172194 1164812500 /nfs/dbraw/zinc/81/25/00/1164812500.db2.gz POXVTQRJWSJYMK-OPRDCNLKSA-N -1 1 286.339 1.378 20 0 CDADMM C[C@H]1[C@@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H]1C ZINC001609172194 1164812504 /nfs/dbraw/zinc/81/25/04/1164812504.db2.gz POXVTQRJWSJYMK-OPRDCNLKSA-N -1 1 286.339 1.378 20 0 CDADMM CC[C@H](c1ccncc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001609195957 1164836882 /nfs/dbraw/zinc/83/68/82/1164836882.db2.gz JODCMBHBBGSOJY-GFCCVEGCSA-N -1 1 296.338 1.639 20 0 CDADMM CC[C@H](c1ccncc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001609195957 1164836884 /nfs/dbraw/zinc/83/68/84/1164836884.db2.gz JODCMBHBBGSOJY-GFCCVEGCSA-N -1 1 296.338 1.639 20 0 CDADMM CC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H](CC)O1 ZINC001609202177 1164842720 /nfs/dbraw/zinc/84/27/20/1164842720.db2.gz BBCFRHZZKOCSNY-UWVGGRQHSA-N -1 1 289.343 1.051 20 0 CDADMM CC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H](CC)O1 ZINC001609202177 1164842723 /nfs/dbraw/zinc/84/27/23/1164842723.db2.gz BBCFRHZZKOCSNY-UWVGGRQHSA-N -1 1 289.343 1.051 20 0 CDADMM CCN(CC1CCC1)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609223633 1164853914 /nfs/dbraw/zinc/85/39/14/1164853914.db2.gz CKXLJVCTCVZRCW-UHFFFAOYSA-N -1 1 286.339 1.524 20 0 CDADMM CCN(CC1CCC1)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609223633 1164853921 /nfs/dbraw/zinc/85/39/21/1164853921.db2.gz CKXLJVCTCVZRCW-UHFFFAOYSA-N -1 1 286.339 1.524 20 0 CDADMM CCc1cncc(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)c1 ZINC001609253790 1164866715 /nfs/dbraw/zinc/86/67/15/1164866715.db2.gz OPUJBCUZWLEGKR-UHFFFAOYSA-N -1 1 298.310 1.108 20 0 CDADMM COCC(C)(C)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001609316161 1164893220 /nfs/dbraw/zinc/89/32/20/1164893220.db2.gz ISCYIVHWFFVFOR-UHFFFAOYSA-N -1 1 296.762 2.000 20 0 CDADMM COCC(C)(C)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001609316161 1164893226 /nfs/dbraw/zinc/89/32/26/1164893226.db2.gz ISCYIVHWFFVFOR-UHFFFAOYSA-N -1 1 296.762 2.000 20 0 CDADMM COc1ccccc1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001609364046 1164912013 /nfs/dbraw/zinc/91/20/13/1164912013.db2.gz ONUHUTCKOWXOGR-UHFFFAOYSA-N -1 1 297.322 1.302 20 0 CDADMM COc1ccccc1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001609364046 1164912019 /nfs/dbraw/zinc/91/20/19/1164912019.db2.gz ONUHUTCKOWXOGR-UHFFFAOYSA-N -1 1 297.322 1.302 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCc2ccncc2C)n1 ZINC001609392285 1164927139 /nfs/dbraw/zinc/92/71/39/1164927139.db2.gz LHONXOYDLIVHLG-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCc2ccncc2C)n1 ZINC001609392285 1164927146 /nfs/dbraw/zinc/92/71/46/1164927146.db2.gz LHONXOYDLIVHLG-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1ccn(Cc2ccn(C(C)C)n2)c(=O)c1-c1nn[n-]n1 ZINC001609437958 1164946602 /nfs/dbraw/zinc/94/66/02/1164946602.db2.gz JKPWOSZELVJWCZ-UHFFFAOYSA-N -1 1 299.338 1.163 20 0 CDADMM Cc1cncc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC001609440911 1164947308 /nfs/dbraw/zinc/94/73/08/1164947308.db2.gz QJHNFAWJSWODIB-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1cncc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC001609440911 1164947312 /nfs/dbraw/zinc/94/73/12/1164947312.db2.gz QJHNFAWJSWODIB-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1nsc(NC2CCOCC2)c1-c1nn[n-]n1 ZINC001609465015 1164960651 /nfs/dbraw/zinc/96/06/51/1164960651.db2.gz GFQZDVIEYAGSDD-UHFFFAOYSA-N -1 1 266.330 1.223 20 0 CDADMM Cc1nnsc1CNc1cccc(-c2nnn[n-]2)n1 ZINC001609462310 1164962175 /nfs/dbraw/zinc/96/21/75/1164962175.db2.gz NNKNLGOVXAEGJZ-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM Cc1nnsc1CNc1cccc(-c2nn[n-]n2)n1 ZINC001609462310 1164962181 /nfs/dbraw/zinc/96/21/81/1164962181.db2.gz NNKNLGOVXAEGJZ-UHFFFAOYSA-N -1 1 274.313 1.034 20 0 CDADMM Cc1nsc(N(C)C[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC001609463631 1164963025 /nfs/dbraw/zinc/96/30/25/1164963025.db2.gz AGBHVFYLYLUWHK-QMMMGPOBSA-N -1 1 280.357 1.247 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@H](C)[C@H](F)C1 ZINC001609466887 1164965938 /nfs/dbraw/zinc/96/59/38/1164965938.db2.gz NHRKWHICXGMTPV-OIBJUYFYSA-N -1 1 293.302 1.588 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@H](C)[C@H](F)C1 ZINC001609466887 1164965946 /nfs/dbraw/zinc/96/59/46/1164965946.db2.gz NHRKWHICXGMTPV-OIBJUYFYSA-N -1 1 293.302 1.588 20 0 CDADMM O=C(OCc1cccnc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609577465 1164995720 /nfs/dbraw/zinc/99/57/20/1164995720.db2.gz MDXNFKALWMRJDV-UHFFFAOYSA-N -1 1 282.263 1.014 20 0 CDADMM O=C(OCc1cccnc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609577465 1164995728 /nfs/dbraw/zinc/99/57/28/1164995728.db2.gz MDXNFKALWMRJDV-UHFFFAOYSA-N -1 1 282.263 1.014 20 0 CDADMM O=C(Oc1ccccc1F)c1ccnc(-c2nnn[n-]2)c1 ZINC001609579392 1164997381 /nfs/dbraw/zinc/99/73/81/1164997381.db2.gz WOYPRRUYPBHFOD-UHFFFAOYSA-N -1 1 285.238 1.620 20 0 CDADMM O=C(Oc1ccccc1F)c1ccnc(-c2nn[n-]n2)c1 ZINC001609579392 1164997385 /nfs/dbraw/zinc/99/73/85/1164997385.db2.gz WOYPRRUYPBHFOD-UHFFFAOYSA-N -1 1 285.238 1.620 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC[C@@H]1CCC[C@@H]1C1CC1 ZINC001609613106 1165006438 /nfs/dbraw/zinc/00/64/38/1165006438.db2.gz KUNCJOWODRKCNT-WDEREUQCSA-N -1 1 285.355 1.895 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC[C@@H]1CCC[C@@H]1C1CC1 ZINC001609613106 1165006444 /nfs/dbraw/zinc/00/64/44/1165006444.db2.gz KUNCJOWODRKCNT-WDEREUQCSA-N -1 1 285.355 1.895 20 0 CDADMM c1cc2cccc(CNc3nccnc3-c3nnn[n-]3)c2[nH]1 ZINC001609614340 1165009683 /nfs/dbraw/zinc/00/96/83/1165009683.db2.gz KZRHKGCRMGURRF-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1cc2cccc(CNc3nccnc3-c3nn[n-]n3)c2[nH]1 ZINC001609614340 1165009689 /nfs/dbraw/zinc/00/96/89/1165009689.db2.gz KZRHKGCRMGURRF-UHFFFAOYSA-N -1 1 292.306 1.750 20 0 CDADMM c1cc(N2CCC3(CCOC3)CC2)cc(-c2nnn[n-]2)n1 ZINC001609614455 1165010095 /nfs/dbraw/zinc/01/00/95/1165010095.db2.gz RKFVVULSSBOKQU-UHFFFAOYSA-N -1 1 286.339 1.269 20 0 CDADMM c1cc(N2CCC3(CCOC3)CC2)cc(-c2nn[n-]n2)n1 ZINC001609614455 1165010099 /nfs/dbraw/zinc/01/00/99/1165010099.db2.gz RKFVVULSSBOKQU-UHFFFAOYSA-N -1 1 286.339 1.269 20 0 CDADMM c1ccc2c(c1)SC[C@@H]2Nc1ccnc(-c2nnn[n-]2)c1 ZINC001609618858 1165015365 /nfs/dbraw/zinc/01/53/65/1165015365.db2.gz UBPWVBGBLWBGME-LBPRGKRZSA-N -1 1 296.359 1.943 20 0 CDADMM c1ccc2c(c1)SC[C@@H]2Nc1ccnc(-c2nn[n-]n2)c1 ZINC001609618858 1165015373 /nfs/dbraw/zinc/01/53/73/1165015373.db2.gz UBPWVBGBLWBGME-LBPRGKRZSA-N -1 1 296.359 1.943 20 0 CDADMM c1ncc(N2C[C@@H]3CCCC[C@@H]3C2)nc1-c1nnn[n-]1 ZINC001609620809 1165016753 /nfs/dbraw/zinc/01/67/53/1165016753.db2.gz FGEUFKLUZVLCJJ-AOOOYVTPSA-N -1 1 271.328 1.283 20 0 CDADMM c1ncc(N2C[C@@H]3CCCC[C@@H]3C2)nc1-c1nn[n-]n1 ZINC001609620809 1165016757 /nfs/dbraw/zinc/01/67/57/1165016757.db2.gz FGEUFKLUZVLCJJ-AOOOYVTPSA-N -1 1 271.328 1.283 20 0 CDADMM C[C@H](C(=O)[O-])N(C(=O)c1ccc2[nH]nnc2c1)C1CCC1 ZINC001609640695 1165025482 /nfs/dbraw/zinc/02/54/82/1165025482.db2.gz MFBSUGXZGYGURD-MRVPVSSYSA-N -1 1 288.307 1.426 20 0 CDADMM C[C@@H](N[C@H](C(=O)[O-])C1CC1)C(=O)N(C)C1CCCCC1 ZINC001609774143 1165074142 /nfs/dbraw/zinc/07/41/42/1165074142.db2.gz JSEGWXDDPDXVRX-MFKMUULPSA-N -1 1 282.384 1.619 20 0 CDADMM C[C@H]1CNCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001609879267 1165127490 /nfs/dbraw/zinc/12/74/90/1165127490.db2.gz WIYDNJUTEVMWBV-NSHDSACASA-N -1 1 276.336 1.138 20 0 CDADMM CCn1nnc(C)c1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001610085339 1165211293 /nfs/dbraw/zinc/21/12/93/1165211293.db2.gz AXYOUQAJZQQKIF-NSHDSACASA-N -1 1 278.356 1.293 20 0 CDADMM Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NCC(=O)[O-])cc1F ZINC001610514648 1165334709 /nfs/dbraw/zinc/33/47/09/1165334709.db2.gz ISIWADHJULBPFD-ZJUUUORDSA-N -1 1 282.315 1.374 20 0 CDADMM Cc1ccc([C@@H](C)N[C@H](C)C(=O)NCC(=O)[O-])cc1F ZINC001610514647 1165334846 /nfs/dbraw/zinc/33/48/46/1165334846.db2.gz ISIWADHJULBPFD-NXEZZACHSA-N -1 1 282.315 1.374 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)c3csnn3)[nH]c21 ZINC001610712971 1165411659 /nfs/dbraw/zinc/41/16/59/1165411659.db2.gz SJXLHTPVOPNVCU-UHFFFAOYSA-N -1 1 289.276 1.365 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)[C@H]3CCCOC3)[nH]c21 ZINC001610850199 1165462041 /nfs/dbraw/zinc/46/20/41/1165462041.db2.gz SUCUQBCZCQEEBS-QMMMGPOBSA-N -1 1 289.291 1.626 20 0 CDADMM O=C(NCc1nc2cccnc2[nH]1)c1ccc(F)c([O-])c1 ZINC001616805228 1165577769 /nfs/dbraw/zinc/57/77/69/1165577769.db2.gz WKCRHBHQVMBSGT-UHFFFAOYSA-N -1 1 286.266 1.733 20 0 CDADMM O=C(NCCc1ncc[nH]1)c1ncc2ccccc2c1[O-] ZINC001628127286 1166043590 /nfs/dbraw/zinc/04/35/90/1166043590.db2.gz BVFHOYMITZMGIG-UHFFFAOYSA-N -1 1 282.303 1.636 20 0 CDADMM CSc1ncc(C(=O)Nc2conc2C)c(=O)[n-]1 ZINC001631755803 1166300594 /nfs/dbraw/zinc/30/05/94/1166300594.db2.gz IBLLFPUGTOVQJM-UHFFFAOYSA-N -1 1 266.282 1.453 20 0 CDADMM O=C(NCCc1cnccn1)c1ncc2ccccc2c1[O-] ZINC001632984740 1166389078 /nfs/dbraw/zinc/38/90/78/1166389078.db2.gz SSACCHGZUGIBRZ-UHFFFAOYSA-N -1 1 294.314 1.703 20 0 CDADMM CCC(CC)(NC(=O)c1occc1C)c1nn[n-]n1 ZINC000095284767 1166617135 /nfs/dbraw/zinc/61/71/35/1166617135.db2.gz SGLAMPADAYVJDM-UHFFFAOYSA-N -1 1 263.301 1.546 20 0 CDADMM COc1ccc(C(=O)Nc2c[n-][nH]c2=O)c(F)c1 ZINC001638735397 1166867275 /nfs/dbraw/zinc/86/72/75/1166867275.db2.gz GRZHVEHGOCPUEL-UHFFFAOYSA-N -1 1 251.217 1.515 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1ccc(-c2csnn2)cc1 ZINC001641600489 1167122622 /nfs/dbraw/zinc/12/26/22/1167122622.db2.gz BAYNGVROTIJMBC-UHFFFAOYSA-N -1 1 287.304 1.886 20 0 CDADMM CN(CC(=O)[N-]O[C@@H]1CCCCO1)Cc1ccccc1 ZINC000060336429 1167350842 /nfs/dbraw/zinc/35/08/42/1167350842.db2.gz XSDVILGJIWYDQD-OAHLLOKOSA-N -1 1 278.352 1.693 20 0 CDADMM Cc1nscc1C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001645665406 1167455818 /nfs/dbraw/zinc/45/58/18/1167455818.db2.gz LUOOMJZJEUVCNY-UHFFFAOYSA-N -1 1 293.300 1.902 20 0 CDADMM O=C([N-]OC1CCOCC1)c1c[nH]c2ccccc2c1=O ZINC001320527448 1167461484 /nfs/dbraw/zinc/46/14/84/1167461484.db2.gz XDCKHSNWTNGGPJ-UHFFFAOYSA-N -1 1 288.303 1.369 20 0 CDADMM COc1ccccc1[C@@H](N)CNC(=O)CCCC(=O)[O-] ZINC001645927677 1167571904 /nfs/dbraw/zinc/57/19/04/1167571904.db2.gz BCHHOVBRQHFVPZ-NSHDSACASA-N -1 1 280.324 1.066 20 0 CDADMM O=C(CCCc1nn[n-]n1)Nc1ccc(-c2ncco2)cc1 ZINC001648656676 1169147401 /nfs/dbraw/zinc/14/74/01/1169147401.db2.gz OWHTXKBXORXHIM-UHFFFAOYSA-N -1 1 298.306 1.816 20 0 CDADMM CCC(CC)(NC(=O)COC(C)(C)C)c1nn[n-]n1 ZINC001568664647 1169420766 /nfs/dbraw/zinc/42/07/66/1169420766.db2.gz TVKQLVGVKQCOJU-UHFFFAOYSA-N -1 1 269.349 1.146 20 0 CDADMM CSc1cncc(NC(=O)c2n[nH]c(C)c2[O-])c1 ZINC001570468151 1170167284 /nfs/dbraw/zinc/16/72/84/1170167284.db2.gz WSQVRPUXBGQYNA-UHFFFAOYSA-N -1 1 264.310 1.793 20 0 CDADMM CCc1cc(=O)[n-]c(C[N@@H+]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])n1 ZINC001573828663 1170794520 /nfs/dbraw/zinc/79/45/20/1170794520.db2.gz YKVNWBCXNKOYNQ-PLMOITTCSA-N -1 1 277.324 1.182 20 0 CDADMM CCc1cc(=O)[n-]c(C[N@H+]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])n1 ZINC001573828663 1170794530 /nfs/dbraw/zinc/79/45/30/1170794530.db2.gz YKVNWBCXNKOYNQ-PLMOITTCSA-N -1 1 277.324 1.182 20 0 CDADMM CN(CCN1CCO[C@](C)(C(=O)[O-])C1)c1ccccc1 ZINC001573872968 1170814694 /nfs/dbraw/zinc/81/46/94/1170814694.db2.gz QKKYTXSYCOEJBF-HNNXBMFYSA-N -1 1 278.352 1.298 20 0 CDADMM Cc1ccc(CN[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)c(Cl)c1 ZINC001574154908 1170899873 /nfs/dbraw/zinc/89/98/73/1170899873.db2.gz WJZJDTRFDHUQFG-DGCLKSJQSA-N -1 1 298.770 1.709 20 0 CDADMM O=C([O-])C[N@@H+](CCNC(=O)C1CC1)Cc1ccc(F)cc1 ZINC001574368430 1170959904 /nfs/dbraw/zinc/95/99/04/1170959904.db2.gz QGIISWUPWWLELX-UHFFFAOYSA-N -1 1 294.326 1.239 20 0 CDADMM C[C@H]1Cc2cc(Nc3ccnc(-c4nn[n-]n4)n3)ccc2O1 ZINC001576386962 1171410968 /nfs/dbraw/zinc/41/09/68/1171410968.db2.gz XDPRHLMEMOULKY-QMMMGPOBSA-N -1 1 295.306 1.146 20 0 CDADMM CN1CCc2cc(C(=O)Nc3c[n-][nH]c3=O)ccc21 ZINC001654603543 1171624625 /nfs/dbraw/zinc/62/46/25/1171624625.db2.gz SEOLPTRTMBVWRW-UHFFFAOYSA-N -1 1 258.281 1.360 20 0 CDADMM O=C(NCc1cccc(-c2cn[nH]n2)c1)c1ccc([O-])cn1 ZINC001578017256 1171785730 /nfs/dbraw/zinc/78/57/30/1171785730.db2.gz PMJRIZJXLIQOBG-UHFFFAOYSA-N -1 1 295.302 1.502 20 0 CDADMM Cc1nn(C)c(NC(=O)c2ccccc2C)c1-c1nnn[n-]1 ZINC001581254865 1172601310 /nfs/dbraw/zinc/60/13/10/1172601310.db2.gz YRVKZAXRFDKLFV-UHFFFAOYSA-N -1 1 297.322 1.469 20 0 CDADMM Cc1nn(C)c(NC(=O)c2ccccc2C)c1-c1nn[n-]n1 ZINC001581254865 1172601315 /nfs/dbraw/zinc/60/13/15/1172601315.db2.gz YRVKZAXRFDKLFV-UHFFFAOYSA-N -1 1 297.322 1.469 20 0 CDADMM O=C(NCc1nn[n-]n1)c1cc2cccc(Cl)c2s1 ZINC001584968325 1172869299 /nfs/dbraw/zinc/86/92/99/1172869299.db2.gz RSJMNCUHDNHIRT-UHFFFAOYSA-N -1 1 293.739 1.998 20 0 CDADMM c1cc(NC[C@@H]2CCC=CO2)nc(-c2nnn[n-]2)c1 ZINC001588385643 1173057862 /nfs/dbraw/zinc/05/78/62/1173057862.db2.gz GPOVOYQGVAHISR-VIFPVBQESA-N -1 1 258.285 1.366 20 0 CDADMM c1cc(NC[C@@H]2CCC=CO2)nc(-c2nn[n-]n2)c1 ZINC001588385643 1173057870 /nfs/dbraw/zinc/05/78/70/1173057870.db2.gz GPOVOYQGVAHISR-VIFPVBQESA-N -1 1 258.285 1.366 20 0 CDADMM CC(C)(C(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccccc1 ZINC001589058462 1173122989 /nfs/dbraw/zinc/12/29/89/1173122989.db2.gz QDVWOECTPJGWGI-UHFFFAOYSA-N -1 1 297.322 1.506 20 0 CDADMM CC(C)(C(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccccc1 ZINC001589058462 1173122993 /nfs/dbraw/zinc/12/29/93/1173122993.db2.gz QDVWOECTPJGWGI-UHFFFAOYSA-N -1 1 297.322 1.506 20 0 CDADMM CC(C)(C)C[C@@H](O)C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001589118075 1173123648 /nfs/dbraw/zinc/12/36/48/1173123648.db2.gz ANTCVJLITUCKRG-SECBINFHSA-N -1 1 294.311 1.300 20 0 CDADMM CC(C)(C)C[C@@H](O)C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001589118075 1173123654 /nfs/dbraw/zinc/12/36/54/1173123654.db2.gz ANTCVJLITUCKRG-SECBINFHSA-N -1 1 294.311 1.300 20 0 CDADMM CC(C)(C)c1n[nH]cc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001589238025 1173130858 /nfs/dbraw/zinc/13/08/58/1173130858.db2.gz LMZRGANEYCMSRZ-UHFFFAOYSA-N -1 1 287.331 1.223 20 0 CDADMM CC(C)(F)CCNc1cc(-c2nnn[n-]2)ncn1 ZINC001589312731 1173137328 /nfs/dbraw/zinc/13/73/28/1173137328.db2.gz PJYUKJVULNFQOW-UHFFFAOYSA-N -1 1 251.269 1.207 20 0 CDADMM CC(C)(F)CCNc1cc(-c2nn[n-]n2)ncn1 ZINC001589312731 1173137334 /nfs/dbraw/zinc/13/73/34/1173137334.db2.gz PJYUKJVULNFQOW-UHFFFAOYSA-N -1 1 251.269 1.207 20 0 CDADMM CC(C)[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001589475500 1173146269 /nfs/dbraw/zinc/14/62/69/1173146269.db2.gz ISCVLKRNHZEUNF-LLVKDONJSA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001589475500 1173146274 /nfs/dbraw/zinc/14/62/74/1173146274.db2.gz ISCVLKRNHZEUNF-LLVKDONJSA-N -1 1 259.317 1.503 20 0 CDADMM CC(C)CO[C@H](C)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001589639117 1173166388 /nfs/dbraw/zinc/16/63/88/1173166388.db2.gz RTPCNDRPHREWAE-SSDOTTSWSA-N -1 1 296.356 1.323 20 0 CDADMM CC(C)CO[C@H](C)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001589639117 1173166393 /nfs/dbraw/zinc/16/63/93/1173166393.db2.gz RTPCNDRPHREWAE-SSDOTTSWSA-N -1 1 296.356 1.323 20 0 CDADMM C[C@@H](C1CC1)N(C)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589786053 1173179566 /nfs/dbraw/zinc/17/95/66/1173179566.db2.gz HCHWZVRONGUFAO-QMMMGPOBSA-N -1 1 287.327 1.524 20 0 CDADMM C[C@@H](C1CC1)N(C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589786053 1173179568 /nfs/dbraw/zinc/17/95/68/1173179568.db2.gz HCHWZVRONGUFAO-QMMMGPOBSA-N -1 1 287.327 1.524 20 0 CDADMM CC(F)(F)CCNc1nccnc1-c1nnn[n-]1 ZINC001589910717 1173203875 /nfs/dbraw/zinc/20/38/75/1173203875.db2.gz YIPCPWQRWLYEJD-UHFFFAOYSA-N -1 1 255.232 1.114 20 0 CDADMM CC(F)(F)CCNc1nccnc1-c1nn[n-]n1 ZINC001589910717 1173203878 /nfs/dbraw/zinc/20/38/78/1173203878.db2.gz YIPCPWQRWLYEJD-UHFFFAOYSA-N -1 1 255.232 1.114 20 0 CDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001589986974 1173224291 /nfs/dbraw/zinc/22/42/91/1173224291.db2.gz ZWNALYVLFPOSIP-SECBINFHSA-N -1 1 267.296 1.252 20 0 CDADMM C[C@@H](O)CCSc1cccnc1-c1nnn[n-]1 ZINC001589999482 1173230733 /nfs/dbraw/zinc/23/07/33/1173230733.db2.gz SQSDSHKZWOBDON-SSDOTTSWSA-N -1 1 251.315 1.125 20 0 CDADMM C[C@@H](O)CCSc1cccnc1-c1nn[n-]n1 ZINC001589999482 1173230738 /nfs/dbraw/zinc/23/07/38/1173230738.db2.gz SQSDSHKZWOBDON-SSDOTTSWSA-N -1 1 251.315 1.125 20 0 CDADMM C[C@H](c1cccs1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001590050358 1173239556 /nfs/dbraw/zinc/23/95/56/1173239556.db2.gz KQEURJMLJUNKDF-MRVPVSSYSA-N -1 1 287.352 1.916 20 0 CDADMM CC1(C)C[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)C(C)(C)O1 ZINC001590084179 1173249961 /nfs/dbraw/zinc/24/99/61/1173249961.db2.gz XQGNOAFDBPFVTO-SECBINFHSA-N -1 1 289.343 1.415 20 0 CDADMM CC1(C)C[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)C(C)(C)O1 ZINC001590084179 1173249965 /nfs/dbraw/zinc/24/99/65/1173249965.db2.gz XQGNOAFDBPFVTO-SECBINFHSA-N -1 1 289.343 1.415 20 0 CDADMM CC1(C)CC[C@@H](CNc2cc(-c3nnn[n-]3)ncn2)O1 ZINC001590089709 1173251757 /nfs/dbraw/zinc/25/17/57/1173251757.db2.gz CDPZIRVTWIJQPQ-QMMMGPOBSA-N -1 1 275.316 1.026 20 0 CDADMM CC1(C)CC[C@@H](CNc2cc(-c3nn[n-]n3)ncn2)O1 ZINC001590089709 1173251761 /nfs/dbraw/zinc/25/17/61/1173251761.db2.gz CDPZIRVTWIJQPQ-QMMMGPOBSA-N -1 1 275.316 1.026 20 0 CDADMM CC1(C)CC[C@@H]1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001590092736 1173255194 /nfs/dbraw/zinc/25/51/94/1173255194.db2.gz LUXJLBCQRXPZQM-ZCFIWIBFSA-N -1 1 278.341 1.698 20 0 CDADMM CC1(C)CC[C@@H]1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001590092736 1173255189 /nfs/dbraw/zinc/25/51/89/1173255189.db2.gz LUXJLBCQRXPZQM-ZCFIWIBFSA-N -1 1 278.341 1.698 20 0 CDADMM CC1(CCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC1 ZINC001590125675 1173265073 /nfs/dbraw/zinc/26/50/73/1173265073.db2.gz SLGVUUBBUDOXNQ-UHFFFAOYSA-N -1 1 261.289 1.109 20 0 CDADMM CC1(CCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC1 ZINC001590125675 1173265075 /nfs/dbraw/zinc/26/50/75/1173265075.db2.gz SLGVUUBBUDOXNQ-UHFFFAOYSA-N -1 1 261.289 1.109 20 0 CDADMM C[C@@]1(CNc2cccc(-c3nnn[n-]3)n2)CC1(F)F ZINC001590136396 1173269924 /nfs/dbraw/zinc/26/99/24/1173269924.db2.gz UYEAQDFYOSAJCR-JTQLQIEISA-N -1 1 266.255 1.719 20 0 CDADMM C[C@@]1(CNc2cccc(-c3nn[n-]n3)n2)CC1(F)F ZINC001590136396 1173269933 /nfs/dbraw/zinc/26/99/33/1173269933.db2.gz UYEAQDFYOSAJCR-JTQLQIEISA-N -1 1 266.255 1.719 20 0 CDADMM C[C@H]1C[C@@H](COc2cccnc2-c2nnn[n-]2)CCO1 ZINC001590193256 1173286216 /nfs/dbraw/zinc/28/62/16/1173286216.db2.gz OIOCFBCNPROOIR-UWVGGRQHSA-N -1 1 275.312 1.456 20 0 CDADMM C[C@H]1C[C@@H](COc2cccnc2-c2nn[n-]n2)CCO1 ZINC001590193256 1173286223 /nfs/dbraw/zinc/28/62/23/1173286223.db2.gz OIOCFBCNPROOIR-UWVGGRQHSA-N -1 1 275.312 1.456 20 0 CDADMM C[C@@H]1C[C@@H]1c1ccc(CNc2cnc(-c3nnn[n-]3)cn2)o1 ZINC001590217202 1173297907 /nfs/dbraw/zinc/29/79/07/1173297907.db2.gz AICBGROZBPOMCA-SCZZXKLOSA-N -1 1 297.322 1.985 20 0 CDADMM C[C@@H]1C[C@@H]1c1ccc(CNc2cnc(-c3nn[n-]n3)cn2)o1 ZINC001590217202 1173297912 /nfs/dbraw/zinc/29/79/12/1173297912.db2.gz AICBGROZBPOMCA-SCZZXKLOSA-N -1 1 297.322 1.985 20 0 CDADMM C[C@H]1CC2(CCC2)CN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590222728 1173303801 /nfs/dbraw/zinc/30/38/01/1173303801.db2.gz ZKUTYAZJJYHEHK-VIFPVBQESA-N -1 1 287.323 1.864 20 0 CDADMM C[C@H]1CC2(CCC2)CN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590222728 1173303809 /nfs/dbraw/zinc/30/38/09/1173303809.db2.gz ZKUTYAZJJYHEHK-VIFPVBQESA-N -1 1 287.323 1.864 20 0 CDADMM CC1CCC(C)(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC1 ZINC001590225243 1173303915 /nfs/dbraw/zinc/30/39/15/1173303915.db2.gz KEFUQAAWAAMPLM-UHFFFAOYSA-N -1 1 289.343 1.745 20 0 CDADMM CC1CCC(C)(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC1 ZINC001590225243 1173303920 /nfs/dbraw/zinc/30/39/20/1173303920.db2.gz KEFUQAAWAAMPLM-UHFFFAOYSA-N -1 1 289.343 1.745 20 0 CDADMM C[C@H]1CC[C@@H](NC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590236692 1173310495 /nfs/dbraw/zinc/31/04/95/1173310495.db2.gz LENDVWAGAXAIBP-IONNQARKSA-N -1 1 261.285 1.378 20 0 CDADMM C[C@H]1CC[C@@H](NC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590236692 1173310500 /nfs/dbraw/zinc/31/05/00/1173310500.db2.gz LENDVWAGAXAIBP-IONNQARKSA-N -1 1 261.285 1.378 20 0 CDADMM C[C@@H]1CCCN(C(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001590259994 1173323433 /nfs/dbraw/zinc/32/34/33/1173323433.db2.gz ODMJRYMIVJOTQG-SECBINFHSA-N -1 1 275.312 1.722 20 0 CDADMM C[C@@H]1CCCN(C(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001590259994 1173323439 /nfs/dbraw/zinc/32/34/39/1173323439.db2.gz ODMJRYMIVJOTQG-SECBINFHSA-N -1 1 275.312 1.722 20 0 CDADMM C[C@H]1CCCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590265952 1173328995 /nfs/dbraw/zinc/32/89/95/1173328995.db2.gz ZQZMWWVTNGLQGP-ZETCQYMHSA-N -1 1 263.326 1.553 20 0 CDADMM C[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC[C@@H]1C ZINC001590275133 1173335139 /nfs/dbraw/zinc/33/51/39/1173335139.db2.gz WOXBADVQRUOCJR-IUCAKERBSA-N -1 1 259.317 1.139 20 0 CDADMM C/C=C(/C)C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001590350246 1173366681 /nfs/dbraw/zinc/36/66/81/1173366681.db2.gz PEPPRKLUZBOPAU-CLTKARDFSA-N -1 1 264.310 1.938 20 0 CDADMM CC[C@@H](C)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590414682 1173399145 /nfs/dbraw/zinc/39/91/45/1173399145.db2.gz SJQHDUFFHOFNEY-SSDOTTSWSA-N -1 1 259.317 1.745 20 0 CDADMM CC[C@@H](C)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590414682 1173399150 /nfs/dbraw/zinc/39/91/50/1173399150.db2.gz SJQHDUFFHOFNEY-SSDOTTSWSA-N -1 1 259.317 1.745 20 0 CDADMM CC[C@@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)[C@@H](C)O ZINC001590474441 1173428069 /nfs/dbraw/zinc/42/80/69/1173428069.db2.gz IRJKUABWFWEYIK-RFZPGFLSSA-N -1 1 288.764 1.548 20 0 CDADMM CC[C@@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H](C)O ZINC001590474441 1173428071 /nfs/dbraw/zinc/42/80/71/1173428071.db2.gz IRJKUABWFWEYIK-RFZPGFLSSA-N -1 1 288.764 1.548 20 0 CDADMM CC[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590490487 1173434811 /nfs/dbraw/zinc/43/48/11/1173434811.db2.gz ZMRBGVVWFOEDAI-LBPRGKRZSA-N -1 1 259.317 1.283 20 0 CDADMM CC[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590490487 1173434818 /nfs/dbraw/zinc/43/48/18/1173434818.db2.gz ZMRBGVVWFOEDAI-LBPRGKRZSA-N -1 1 259.317 1.283 20 0 CDADMM CCCC(=O)COC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001590532844 1173442330 /nfs/dbraw/zinc/44/23/30/1173442330.db2.gz VTKBFRGGEZISMJ-UHFFFAOYSA-N -1 1 280.309 1.454 20 0 CDADMM CCCC(=O)COC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590532844 1173442337 /nfs/dbraw/zinc/44/23/37/1173442337.db2.gz VTKBFRGGEZISMJ-UHFFFAOYSA-N -1 1 280.309 1.454 20 0 CDADMM CC[C@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001590513547 1173442637 /nfs/dbraw/zinc/44/26/37/1173442637.db2.gz LESVEQDFESEDSX-NSHDSACASA-N -1 1 287.371 1.982 20 0 CDADMM CC[C@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001590513547 1173442641 /nfs/dbraw/zinc/44/26/41/1173442641.db2.gz LESVEQDFESEDSX-NSHDSACASA-N -1 1 287.371 1.982 20 0 CDADMM CC[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590507956 1173443336 /nfs/dbraw/zinc/44/33/36/1173443336.db2.gz IWBYPVRQPBETCR-NXEZZACHSA-N -1 1 273.344 1.459 20 0 CDADMM CC[C@H]1CN(c2ccc(C)nc2-c2nnn[n-]2)CCS1 ZINC001590519504 1173446181 /nfs/dbraw/zinc/44/61/81/1173446181.db2.gz AHSLPZKSMYBEAG-JTQLQIEISA-N -1 1 290.396 1.902 20 0 CDADMM CC[C@H]1CN(c2ccc(C)nc2-c2nn[n-]n2)CCS1 ZINC001590519504 1173446184 /nfs/dbraw/zinc/44/61/84/1173446184.db2.gz AHSLPZKSMYBEAG-JTQLQIEISA-N -1 1 290.396 1.902 20 0 CDADMM CCCCOCCNc1snc(C)c1-c1nn[n-]n1 ZINC001590612278 1173474469 /nfs/dbraw/zinc/47/44/69/1173474469.db2.gz BMIUCMCPLNLFIE-UHFFFAOYSA-N -1 1 282.373 1.860 20 0 CDADMM CCC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590572787 1173466671 /nfs/dbraw/zinc/46/66/71/1173466671.db2.gz SRKOYMMXBOOESU-VIFPVBQESA-N -1 1 259.317 1.426 20 0 CDADMM CCC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590572787 1173466674 /nfs/dbraw/zinc/46/66/74/1173466674.db2.gz SRKOYMMXBOOESU-VIFPVBQESA-N -1 1 259.317 1.426 20 0 CDADMM CCCC[C@@H](COC)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001590582263 1173467904 /nfs/dbraw/zinc/46/79/04/1173467904.db2.gz SWUXJEBENYVQHI-VIFPVBQESA-N -1 1 277.332 1.274 20 0 CDADMM CCCC[C@@H](COC)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001590582263 1173467906 /nfs/dbraw/zinc/46/79/06/1173467906.db2.gz SWUXJEBENYVQHI-VIFPVBQESA-N -1 1 277.332 1.274 20 0 CDADMM CCCN(CCC)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590622500 1173476852 /nfs/dbraw/zinc/47/68/52/1173476852.db2.gz BOQHFMCWVLBJTQ-UHFFFAOYSA-N -1 1 263.301 1.722 20 0 CDADMM CCCN(CCC)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590622500 1173476856 /nfs/dbraw/zinc/47/68/56/1173476856.db2.gz BOQHFMCWVLBJTQ-UHFFFAOYSA-N -1 1 263.301 1.722 20 0 CDADMM CCOCc1ccc(Nc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001590816669 1173519669 /nfs/dbraw/zinc/51/96/69/1173519669.db2.gz PZOPDFVLIQJVFE-UHFFFAOYSA-N -1 1 297.322 1.937 20 0 CDADMM CCOCc1ccc(Nc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001590816669 1173519674 /nfs/dbraw/zinc/51/96/74/1173519674.db2.gz PZOPDFVLIQJVFE-UHFFFAOYSA-N -1 1 297.322 1.937 20 0 CDADMM CN(C(=O)C1CC2(CCC2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590977056 1173555632 /nfs/dbraw/zinc/55/56/32/1173555632.db2.gz LYFWCTQNESJPQW-UHFFFAOYSA-N -1 1 298.350 1.805 20 0 CDADMM CN(C(=O)C1CC2(CCC2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590977056 1173555635 /nfs/dbraw/zinc/55/56/35/1173555635.db2.gz LYFWCTQNESJPQW-UHFFFAOYSA-N -1 1 298.350 1.805 20 0 CDADMM CO[C@@H](C)CN(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591322672 1173608246 /nfs/dbraw/zinc/60/82/46/1173608246.db2.gz WPPFHKKFPXBGCG-ZETCQYMHSA-N -1 1 281.341 1.035 20 0 CDADMM CO[C@@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591322672 1173608249 /nfs/dbraw/zinc/60/82/49/1173608249.db2.gz WPPFHKKFPXBGCG-ZETCQYMHSA-N -1 1 281.341 1.035 20 0 CDADMM CO[C@H](CNc1cncc(-c2nnn[n-]2)n1)CC(C)C ZINC001591329365 1173616155 /nfs/dbraw/zinc/61/61/55/1173616155.db2.gz PYXWTVHNMUVPMP-VIFPVBQESA-N -1 1 277.332 1.130 20 0 CDADMM CO[C@H](CNc1cncc(-c2nn[n-]n2)n1)CC(C)C ZINC001591329365 1173616160 /nfs/dbraw/zinc/61/61/60/1173616160.db2.gz PYXWTVHNMUVPMP-VIFPVBQESA-N -1 1 277.332 1.130 20 0 CDADMM CO[C@@H]1CC[C@H](C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001591347373 1173620283 /nfs/dbraw/zinc/62/02/83/1173620283.db2.gz FNRLVDXDTVZAGW-DTWKUNHWSA-N -1 1 288.311 1.015 20 0 CDADMM CO[C@@H]1CC[C@H](C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001591347373 1173620287 /nfs/dbraw/zinc/62/02/87/1173620287.db2.gz FNRLVDXDTVZAGW-DTWKUNHWSA-N -1 1 288.311 1.015 20 0 CDADMM CO[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001591353812 1173624203 /nfs/dbraw/zinc/62/42/03/1173624203.db2.gz HEXRZVOTYJETIN-SECBINFHSA-N -1 1 291.311 1.101 20 0 CDADMM CO[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001591353812 1173624209 /nfs/dbraw/zinc/62/42/09/1173624209.db2.gz HEXRZVOTYJETIN-SECBINFHSA-N -1 1 291.311 1.101 20 0 CDADMM CO[C@@H]1CN(c2ccc(C)c(-c3nnn[n-]3)n2)CC[C@H]1C ZINC001591359323 1173628773 /nfs/dbraw/zinc/62/87/73/1173628773.db2.gz CMCZLWYBQCOUNT-MWLCHTKSSA-N -1 1 288.355 1.431 20 0 CDADMM CO[C@@H]1CN(c2ccc(C)c(-c3nn[n-]n3)n2)CC[C@H]1C ZINC001591359323 1173628776 /nfs/dbraw/zinc/62/87/76/1173628776.db2.gz CMCZLWYBQCOUNT-MWLCHTKSSA-N -1 1 288.355 1.431 20 0 CDADMM CO[C@@H]1CCC[C@H]1Nc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001591469056 1173656253 /nfs/dbraw/zinc/65/62/53/1173656253.db2.gz HOQPADXCGOQSJG-MWLCHTKSSA-N -1 1 274.328 1.550 20 0 CDADMM CO[C@@H]1CCC[C@H]1Nc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001591469056 1173656257 /nfs/dbraw/zinc/65/62/57/1173656257.db2.gz HOQPADXCGOQSJG-MWLCHTKSSA-N -1 1 274.328 1.550 20 0 CDADMM C[C@@H](CF)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591723036 1173692350 /nfs/dbraw/zinc/69/23/50/1173692350.db2.gz HJPTXGATHGJQRZ-LURJTMIESA-N -1 1 263.280 1.304 20 0 CDADMM C[C@@H](CF)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591723036 1173692353 /nfs/dbraw/zinc/69/23/53/1173692353.db2.gz HJPTXGATHGJQRZ-LURJTMIESA-N -1 1 263.280 1.304 20 0 CDADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@@H]2CC[C@@H](C)C2)nn1C ZINC001591798682 1173707133 /nfs/dbraw/zinc/70/71/33/1173707133.db2.gz MQGDCBIGFGDJBQ-VXNVDRBHSA-N -1 1 289.343 1.283 20 0 CDADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@@H]2CC[C@@H](C)C2)nn1C ZINC001591798682 1173707138 /nfs/dbraw/zinc/70/71/38/1173707138.db2.gz MQGDCBIGFGDJBQ-VXNVDRBHSA-N -1 1 289.343 1.283 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CC(F)(F)C2)n1 ZINC001591892605 1173742081 /nfs/dbraw/zinc/74/20/81/1173742081.db2.gz VQTLWTOEUPAJPH-UHFFFAOYSA-N -1 1 267.243 1.175 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CC(F)(F)C2)n1 ZINC001591892605 1173742087 /nfs/dbraw/zinc/74/20/87/1173742087.db2.gz VQTLWTOEUPAJPH-UHFFFAOYSA-N -1 1 267.243 1.175 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)CC(F)F)n1 ZINC001591894106 1173742793 /nfs/dbraw/zinc/74/27/93/1173742793.db2.gz OJDJMKFOBKESGV-LURJTMIESA-N -1 1 283.286 1.668 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)CC(F)F)n1 ZINC001591894106 1173742796 /nfs/dbraw/zinc/74/27/96/1173742796.db2.gz OJDJMKFOBKESGV-LURJTMIESA-N -1 1 283.286 1.668 20 0 CDADMM Cc1cc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)nn1C ZINC001591969701 1173760339 /nfs/dbraw/zinc/76/03/39/1173760339.db2.gz HLROEIAVYKXRCH-UHFFFAOYSA-N -1 1 299.342 1.121 20 0 CDADMM Cc1cc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)nn1C ZINC001591969701 1173760344 /nfs/dbraw/zinc/76/03/44/1173760344.db2.gz HLROEIAVYKXRCH-UHFFFAOYSA-N -1 1 299.342 1.121 20 0 CDADMM Cc1cc(N2CC[C@H](C)[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001591999368 1173770043 /nfs/dbraw/zinc/77/00/43/1173770043.db2.gz GEONLRYQAKJSJR-WPRPVWTQSA-N -1 1 258.329 1.805 20 0 CDADMM Cc1cc(N2CC[C@H](C)[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001591999368 1173770046 /nfs/dbraw/zinc/77/00/46/1173770046.db2.gz GEONLRYQAKJSJR-WPRPVWTQSA-N -1 1 258.329 1.805 20 0 CDADMM Cc1cc(NCc2ccco2)cc(-c2nnn[n-]2)n1 ZINC001592052885 1173789130 /nfs/dbraw/zinc/78/91/30/1173789130.db2.gz AXYXLGPHRCRXBL-UHFFFAOYSA-N -1 1 256.269 1.775 20 0 CDADMM Cc1cc(NCc2ccco2)cc(-c2nn[n-]n2)n1 ZINC001592052885 1173789136 /nfs/dbraw/zinc/78/91/36/1173789136.db2.gz AXYXLGPHRCRXBL-UHFFFAOYSA-N -1 1 256.269 1.775 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NCC[C@H](C)CCO ZINC001592113488 1173805114 /nfs/dbraw/zinc/80/51/14/1173805114.db2.gz HFMMYZFECHHVAZ-VIFPVBQESA-N -1 1 276.344 1.391 20 0 CDADMM Cc1ccc(F)cc1Cn1cccc(-c2nn[n-]n2)c1=O ZINC001592173395 1173820874 /nfs/dbraw/zinc/82/08/74/1173820874.db2.gz OMLDNCWHPZVSIJ-UHFFFAOYSA-N -1 1 285.282 1.524 20 0 CDADMM Cc1ccsc1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001592285354 1173846255 /nfs/dbraw/zinc/84/62/55/1173846255.db2.gz HRGURMUAXVIVHE-UHFFFAOYSA-N -1 1 289.324 1.222 20 0 CDADMM Cc1ccsc1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001592285354 1173846258 /nfs/dbraw/zinc/84/62/58/1173846258.db2.gz HRGURMUAXVIVHE-UHFFFAOYSA-N -1 1 289.324 1.222 20 0 CDADMM Cc1csc(NC(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001592321520 1173853836 /nfs/dbraw/zinc/85/38/36/1173853836.db2.gz QTIJUHVCLZBJCN-UHFFFAOYSA-N -1 1 276.281 1.477 20 0 CDADMM Cc1csc(NC(=O)c2coc(-c3nn[n-]n3)c2)n1 ZINC001592321520 1173853840 /nfs/dbraw/zinc/85/38/40/1173853840.db2.gz QTIJUHVCLZBJCN-UHFFFAOYSA-N -1 1 276.281 1.477 20 0 CDADMM Cc1[nH]nc(NC(=O)C[C@@H]2C=CCC2)c1-c1nn[n-]n1 ZINC001592327570 1173854513 /nfs/dbraw/zinc/85/45/13/1173854513.db2.gz FOYZABHQTSZZEA-MRVPVSSYSA-N -1 1 273.300 1.193 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(Cc2cccc(F)n2)c1C ZINC001592339059 1173859402 /nfs/dbraw/zinc/85/94/02/1173859402.db2.gz CIHHDRXDMWNLKN-UHFFFAOYSA-N -1 1 273.275 1.262 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2cccc(F)n2)c1C ZINC001592339059 1173859405 /nfs/dbraw/zinc/85/94/05/1173859405.db2.gz CIHHDRXDMWNLKN-UHFFFAOYSA-N -1 1 273.275 1.262 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N(C)[C@H](C)C2CC2)n1 ZINC001592338994 1173859961 /nfs/dbraw/zinc/85/99/61/1173859961.db2.gz VQLCSMQTFKEGLC-SSDOTTSWSA-N -1 1 259.317 1.200 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N(C)[C@H](C)C2CC2)n1 ZINC001592338994 1173859967 /nfs/dbraw/zinc/85/99/67/1173859967.db2.gz VQLCSMQTFKEGLC-SSDOTTSWSA-N -1 1 259.317 1.200 20 0 CDADMM Cc1ncc(COC(=O)c2ccc(-c3nnn[n-]3)s2)o1 ZINC001592410304 1173881917 /nfs/dbraw/zinc/88/19/17/1173881917.db2.gz JISOACGKAZDANO-UHFFFAOYSA-N -1 1 291.292 1.582 20 0 CDADMM Cc1ncc(COC(=O)c2ccc(-c3nn[n-]n3)s2)o1 ZINC001592410304 1173881920 /nfs/dbraw/zinc/88/19/20/1173881920.db2.gz JISOACGKAZDANO-UHFFFAOYSA-N -1 1 291.292 1.582 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CC1(C)C ZINC001592499751 1173904535 /nfs/dbraw/zinc/90/45/35/1173904535.db2.gz CEAPNQQTQNGPHU-VIFPVBQESA-N -1 1 261.285 1.296 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CC1(C)C ZINC001592499751 1173904538 /nfs/dbraw/zinc/90/45/38/1173904538.db2.gz CEAPNQQTQNGPHU-VIFPVBQESA-N -1 1 261.285 1.296 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@H](C)C1CC1 ZINC001592504049 1173907015 /nfs/dbraw/zinc/90/70/15/1173907015.db2.gz RNZGQIYTKAXFNB-LURJTMIESA-N -1 1 262.269 1.723 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@H](C)C1CC1 ZINC001592504049 1173907019 /nfs/dbraw/zinc/90/70/19/1173907019.db2.gz RNZGQIYTKAXFNB-LURJTMIESA-N -1 1 262.269 1.723 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CCCC12CC2 ZINC001592500278 1173908268 /nfs/dbraw/zinc/90/82/68/1173908268.db2.gz WLTRIPRXUVNTKN-NSHDSACASA-N -1 1 287.323 1.831 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CCCC12CC2 ZINC001592500278 1173908275 /nfs/dbraw/zinc/90/82/75/1173908275.db2.gz WLTRIPRXUVNTKN-NSHDSACASA-N -1 1 287.323 1.831 20 0 CDADMM Cc1sc(-c2ccsc2-c2nnn[n-]2)nc1CCO ZINC001592517429 1173910875 /nfs/dbraw/zinc/91/08/75/1173910875.db2.gz NYILIOPBUDBBCM-UHFFFAOYSA-N -1 1 293.377 1.895 20 0 CDADMM Cc1sc(-c2ccsc2-c2nn[n-]n2)nc1CCO ZINC001592517429 1173910878 /nfs/dbraw/zinc/91/08/78/1173910878.db2.gz NYILIOPBUDBBCM-UHFFFAOYSA-N -1 1 293.377 1.895 20 0 CDADMM Clc1ccc(N2CC[C@@H]3C[C@@H]32)nc1-c1nnn[n-]1 ZINC001592532399 1173913907 /nfs/dbraw/zinc/91/39/07/1173913907.db2.gz PADAKMUQKHVXGA-SVRRBLITSA-N -1 1 262.704 1.514 20 0 CDADMM Clc1ccc(N2CC[C@@H]3C[C@@H]32)nc1-c1nn[n-]n1 ZINC001592532399 1173913912 /nfs/dbraw/zinc/91/39/12/1173913912.db2.gz PADAKMUQKHVXGA-SVRRBLITSA-N -1 1 262.704 1.514 20 0 CDADMM FC(F)(F)C[C@@H]1CCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001592615618 1173929271 /nfs/dbraw/zinc/92/92/71/1173929271.db2.gz KAHJGAPFNLXUBY-ZETCQYMHSA-N -1 1 299.260 1.435 20 0 CDADMM FC(F)(F)C[C@@H]1CCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001592615618 1173929277 /nfs/dbraw/zinc/92/92/77/1173929277.db2.gz KAHJGAPFNLXUBY-ZETCQYMHSA-N -1 1 299.260 1.435 20 0 CDADMM FC1(F)C[C@@]12CCN(c1cccc(-c3nnn[n-]3)n1)C2 ZINC001592630118 1173938506 /nfs/dbraw/zinc/93/85/06/1173938506.db2.gz MIDWZKCWQLEEFV-LLVKDONJSA-N -1 1 278.266 1.497 20 0 CDADMM FC1(F)C[C@@]12CCN(c1cccc(-c3nn[n-]n3)n1)C2 ZINC001592630118 1173938515 /nfs/dbraw/zinc/93/85/15/1173938515.db2.gz MIDWZKCWQLEEFV-LLVKDONJSA-N -1 1 278.266 1.497 20 0 CDADMM Fc1ccc2c(c1)[C@H](Nc1ncncc1-c1nn[n-]n1)CC2 ZINC001592652925 1173954261 /nfs/dbraw/zinc/95/42/61/1173954261.db2.gz AUDMZJAHZXVYGP-GFCCVEGCSA-N -1 1 297.297 1.895 20 0 CDADMM Fc1cccc(CNc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001592657590 1173954571 /nfs/dbraw/zinc/95/45/71/1173954571.db2.gz TUDOYGNIQDXOPA-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM Fc1cccc(CNc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001592657590 1173954576 /nfs/dbraw/zinc/95/45/76/1173954576.db2.gz TUDOYGNIQDXOPA-UHFFFAOYSA-N -1 1 271.259 1.408 20 0 CDADMM Fc1cccc(OC[C@H]2C[C@@]23CCOC3)c1-c1nnn[n-]1 ZINC001592658572 1173958427 /nfs/dbraw/zinc/95/84/27/1173958427.db2.gz VEEBUBDZZQGDII-YMTOWFKASA-N -1 1 290.298 1.811 20 0 CDADMM Fc1cccc(OC[C@H]2C[C@@]23CCOC3)c1-c1nn[n-]n1 ZINC001592658572 1173958432 /nfs/dbraw/zinc/95/84/32/1173958432.db2.gz VEEBUBDZZQGDII-YMTOWFKASA-N -1 1 290.298 1.811 20 0 CDADMM Fc1ncccc1Oc1ccncc1-c1nn[n-]n1 ZINC001592662356 1173958797 /nfs/dbraw/zinc/95/87/97/1173958797.db2.gz BKFNRBMYGYXUCF-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM NC(=NOCc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCCO1 ZINC001592711111 1173982382 /nfs/dbraw/zinc/98/23/82/1173982382.db2.gz ISZYIIVENCRVNT-QMMMGPOBSA-N -1 1 294.340 1.106 20 0 CDADMM O=C(Cc1cccc(F)c1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592922290 1174002716 /nfs/dbraw/zinc/00/27/16/1174002716.db2.gz ZHFKPNPNLKCBQX-UHFFFAOYSA-N -1 1 298.281 1.582 20 0 CDADMM O=C(Cc1cccc(F)c1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592922290 1174002721 /nfs/dbraw/zinc/00/27/21/1174002721.db2.gz ZHFKPNPNLKCBQX-UHFFFAOYSA-N -1 1 298.281 1.582 20 0 CDADMM O=C(N[C@@H]1CCCC(F)(F)C1)c1coc(-c2nnn[n-]2)c1 ZINC001592975916 1174010618 /nfs/dbraw/zinc/01/06/18/1174010618.db2.gz XAAPZFHZSATUSC-MRVPVSSYSA-N -1 1 297.265 1.767 20 0 CDADMM O=C(N[C@@H]1CCCC(F)(F)C1)c1coc(-c2nn[n-]n2)c1 ZINC001592975916 1174010620 /nfs/dbraw/zinc/01/06/20/1174010620.db2.gz XAAPZFHZSATUSC-MRVPVSSYSA-N -1 1 297.265 1.767 20 0 CDADMM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1cccc(F)c1-c1nnn[n-]1 ZINC001593003951 1174013093 /nfs/dbraw/zinc/01/30/93/1174013093.db2.gz JUGIGFPFVPIWFW-JDICNCQASA-N -1 1 287.298 1.534 20 0 CDADMM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1cccc(F)c1-c1nn[n-]n1 ZINC001593003951 1174013098 /nfs/dbraw/zinc/01/30/98/1174013098.db2.gz JUGIGFPFVPIWFW-JDICNCQASA-N -1 1 287.298 1.534 20 0 CDADMM O=C(NC[C@]12C[C@H]1CCC2)c1cccc(-c2nnn[n-]2)n1 ZINC001593114387 1174025079 /nfs/dbraw/zinc/02/50/79/1174025079.db2.gz QOSSVIYRDBMNKL-OTYXRUKQSA-N -1 1 284.323 1.182 20 0 CDADMM O=C(NC[C@]12C[C@H]1CCC2)c1cccc(-c2nn[n-]n2)n1 ZINC001593114387 1174025085 /nfs/dbraw/zinc/02/50/85/1174025085.db2.gz QOSSVIYRDBMNKL-OTYXRUKQSA-N -1 1 284.323 1.182 20 0 CDADMM O=C(OC[C@H]1CCC[C@@H](O)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001593284868 1174052321 /nfs/dbraw/zinc/05/23/21/1174052321.db2.gz UYFJVBZHUXKDQL-DTWKUNHWSA-N -1 1 292.295 1.168 20 0 CDADMM O=C(OCc1nncs1)c1ccc(-c2nnn[n-]2)s1 ZINC001593305809 1174060021 /nfs/dbraw/zinc/06/00/21/1174060021.db2.gz DCOVXYWGFZURKV-UHFFFAOYSA-N -1 1 294.321 1.137 20 0 CDADMM O=C(OCc1nncs1)c1ccc(-c2nn[n-]n2)s1 ZINC001593305809 1174060028 /nfs/dbraw/zinc/06/00/28/1174060028.db2.gz DCOVXYWGFZURKV-UHFFFAOYSA-N -1 1 294.321 1.137 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@H]1C(F)F ZINC001593339102 1174068415 /nfs/dbraw/zinc/06/84/15/1174068415.db2.gz NEKKYEQOSDLJIF-LURJTMIESA-N -1 1 283.238 1.329 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@H]1C(F)F ZINC001593339102 1174068419 /nfs/dbraw/zinc/06/84/19/1174068419.db2.gz NEKKYEQOSDLJIF-LURJTMIESA-N -1 1 283.238 1.329 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@@H]2CCC[C@@H]21 ZINC001593369921 1174070454 /nfs/dbraw/zinc/07/04/54/1174070454.db2.gz RTYHZQZMCNSEGZ-WPRPVWTQSA-N -1 1 273.296 1.474 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@@H]2CCC[C@@H]21 ZINC001593369921 1174070460 /nfs/dbraw/zinc/07/04/60/1174070460.db2.gz RTYHZQZMCNSEGZ-WPRPVWTQSA-N -1 1 273.296 1.474 20 0 CDADMM O=c1c(-c2nn[n-]n2)cncn1CCCCC(F)(F)F ZINC001593495120 1174087125 /nfs/dbraw/zinc/08/71/25/1174087125.db2.gz WESCGFCKSSAXGG-UHFFFAOYSA-N -1 1 288.233 1.156 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1CC[C@@H]1C[C@H]1C1CC1 ZINC001593496733 1174091129 /nfs/dbraw/zinc/09/11/29/1174091129.db2.gz VANIXWXPJJAQED-PWSUYJOCSA-N -1 1 271.324 1.465 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001593551410 1174124614 /nfs/dbraw/zinc/12/46/14/1174124614.db2.gz KKOBFPGSGSAARE-UTLUCORTSA-N -1 1 271.328 1.505 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001593551410 1174124618 /nfs/dbraw/zinc/12/46/18/1174124618.db2.gz KKOBFPGSGSAARE-UTLUCORTSA-N -1 1 271.328 1.505 20 0 CDADMM c1cc2cccc(CNc3n[nH]cc3-c3nnn[n-]3)c2o1 ZINC001593553841 1174128078 /nfs/dbraw/zinc/12/80/78/1174128078.db2.gz IBTXRLIELGDPJQ-UHFFFAOYSA-N -1 1 281.279 1.948 20 0 CDADMM c1cc2cccc(CNc3n[nH]cc3-c3nn[n-]n3)c2o1 ZINC001593553841 1174128082 /nfs/dbraw/zinc/12/80/82/1174128082.db2.gz IBTXRLIELGDPJQ-UHFFFAOYSA-N -1 1 281.279 1.948 20 0 CDADMM c1cc(N2CC[C@@H](C3CCCC3)C2)nc(-c2nn[n-]n2)n1 ZINC001593556988 1174130697 /nfs/dbraw/zinc/13/06/97/1174130697.db2.gz AXHPJIPTJWHUCL-LLVKDONJSA-N -1 1 285.355 1.673 20 0 CDADMM c1cc(N2C[C@@H]3CCC[C@@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001593557945 1174132817 /nfs/dbraw/zinc/13/28/17/1174132817.db2.gz DILKSQRLNSWXCE-AOOOYVTPSA-N -1 1 256.313 1.498 20 0 CDADMM c1cc(N2C[C@@H]3CCC[C@@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001593557945 1174132819 /nfs/dbraw/zinc/13/28/19/1174132819.db2.gz DILKSQRLNSWXCE-AOOOYVTPSA-N -1 1 256.313 1.498 20 0 CDADMM c1cc(NC[C@@H]2C[C@H]2C2CCCC2)cc(-c2nnn[n-]2)n1 ZINC001593557963 1174133116 /nfs/dbraw/zinc/13/31/16/1174133116.db2.gz FBTCYLRDMNZXKT-AAEUAGOBSA-N -1 1 284.367 1.922 20 0 CDADMM c1cc(NC[C@@H]2C[C@H]2C2CCCC2)cc(-c2nn[n-]n2)n1 ZINC001593557963 1174133120 /nfs/dbraw/zinc/13/31/20/1174133120.db2.gz FBTCYLRDMNZXKT-AAEUAGOBSA-N -1 1 284.367 1.922 20 0 CDADMM c1cc(N2CC[C@@H]3CCCC[C@@H]3C2)nc(-c2nn[n-]n2)n1 ZINC001593558833 1174133443 /nfs/dbraw/zinc/13/34/43/1174133443.db2.gz HPGBASWHLHFEOU-WDEREUQCSA-N -1 1 285.355 1.673 20 0 CDADMM c1ccc(C2CN(c3cc(-c4nnn[n-]4)ncn3)C2)cc1 ZINC001593573293 1174145290 /nfs/dbraw/zinc/14/52/90/1174145290.db2.gz NRYXNEADKYRLKH-UHFFFAOYSA-N -1 1 279.307 1.261 20 0 CDADMM c1ccc(C2CN(c3cc(-c4nn[n-]n4)ncn3)C2)cc1 ZINC001593573293 1174145294 /nfs/dbraw/zinc/14/52/94/1174145294.db2.gz NRYXNEADKYRLKH-UHFFFAOYSA-N -1 1 279.307 1.261 20 0 CDADMM O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(F)c([O-])c1 ZINC001597115630 1174258069 /nfs/dbraw/zinc/25/80/69/1174258069.db2.gz XHUPOJVTORGZKZ-UHFFFAOYSA-N -1 1 299.265 1.964 20 0 CDADMM Cc1cc(C(=O)[O-])oc1C(=O)NCc1n[nH]c(C2CC2)n1 ZINC001600132906 1174373611 /nfs/dbraw/zinc/37/36/11/1174373611.db2.gz BBEBNHJKSWKWDN-UHFFFAOYSA-N -1 1 290.279 1.212 20 0 CDADMM Cc1cc([C@@H](C)N2CCC(CO)(CO)C2)oc1C(=O)[O-] ZINC001600148541 1174381175 /nfs/dbraw/zinc/38/11/75/1174381175.db2.gz FVUPGBALZMTUQP-SNVBAGLBSA-N -1 1 283.324 1.024 20 0 CDADMM Cc1cccc(NC(=O)CN2CCC[C@@H]3C[C@@]32C(=O)[O-])c1 ZINC001600539132 1174501409 /nfs/dbraw/zinc/50/14/09/1174501409.db2.gz DGQCXPHVGBKSHT-WBMJQRKESA-N -1 1 288.347 1.873 20 0 CDADMM Cc1cnn([C@@H]2CCN(Cc3ccc(C(=O)[O-])n3C)C2)c1 ZINC001600636316 1174544995 /nfs/dbraw/zinc/54/49/95/1174544995.db2.gz BAKGSVKLWMJPPQ-CYBMUJFWSA-N -1 1 288.351 1.675 20 0 CDADMM Cc1ncc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)[nH]1 ZINC001600682473 1174559678 /nfs/dbraw/zinc/55/96/78/1174559678.db2.gz DANXBOCSGLDZCJ-GFCCVEGCSA-N -1 1 273.292 1.616 20 0 CDADMM Cc1nccnc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001600755678 1174592318 /nfs/dbraw/zinc/59/23/18/1174592318.db2.gz GIIZUEHPRPVUMF-UHFFFAOYSA-N -1 1 297.274 1.612 20 0 CDADMM Cn1c(CNC2(CC(=O)[O-])CC2)nnc1C1CCC1 ZINC001600916624 1174663762 /nfs/dbraw/zinc/66/37/62/1174663762.db2.gz MBEAGEYABACSCK-UHFFFAOYSA-N -1 1 264.329 1.180 20 0 CDADMM NC(=O)CC1(NCc2nc(C(=O)[O-])cs2)CCCCC1 ZINC001601146477 1174762150 /nfs/dbraw/zinc/76/21/50/1174762150.db2.gz BZFVFOKPJTVBNX-UHFFFAOYSA-N -1 1 297.380 1.509 20 0 CDADMM O=C([O-])[C@H](NC(=O)c1ncn[nH]1)c1ccc(Cl)c(F)c1 ZINC001601396118 1174855016 /nfs/dbraw/zinc/85/50/16/1174855016.db2.gz RMHBKWAZRNLWGQ-MRVPVSSYSA-N -1 1 298.661 1.153 20 0 CDADMM O=C([O-])[C@H](NC(=O)c1nc[nH]n1)c1ccc(Cl)c(F)c1 ZINC001601396118 1174855020 /nfs/dbraw/zinc/85/50/20/1174855020.db2.gz RMHBKWAZRNLWGQ-MRVPVSSYSA-N -1 1 298.661 1.153 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)c3cc[nH]n3)[nH]c21 ZINC001601633607 1174919069 /nfs/dbraw/zinc/91/90/69/1174919069.db2.gz YCZZUFYTBHDKJM-UHFFFAOYSA-N -1 1 271.236 1.237 20 0 CDADMM O=C([O-])C12CC(C1)CN2Cc1ncccc1Br ZINC001601728504 1174970508 /nfs/dbraw/zinc/97/05/08/1174970508.db2.gz OVVXVZOXTFMMEV-UHFFFAOYSA-N -1 1 297.152 1.893 20 0 CDADMM 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ASASHXONFOLPCS-QMTHXVAHSA-N -1 1 291.355 1.085 20 0 CDADMM C[C@@H]1CN(Cc2n[nH]c(C(C)(C)C)n2)CC[C@@H]1C(=O)[O-] ZINC000659799436 414130998 /nfs/dbraw/zinc/13/09/98/414130998.db2.gz DBQYHSFFFQGSDW-ZJUUUORDSA-N -1 1 280.372 1.645 20 0 CDADMM C[C@@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)C(=O)[O-] ZINC000663268969 414102584 /nfs/dbraw/zinc/10/25/84/414102584.db2.gz ANAHBYZMNUPTEY-YPMHNXCESA-N -1 1 291.351 1.033 20 0 CDADMM Cc1ccc(-n2[n-]nnc2=N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000663429074 414250924 /nfs/dbraw/zinc/25/09/24/414250924.db2.gz ZWPKZTUMQCUGDH-GFCCVEGCSA-N -1 1 284.367 1.041 20 0 CDADMM C[N@@H+](CC(=O)[O-])Cc1cc(F)ccc1OC(F)F ZINC000662198581 414556844 /nfs/dbraw/zinc/55/68/44/414556844.db2.gz JHUXPBDAPNHPBL-UHFFFAOYSA-N -1 1 263.215 1.944 20 0 CDADMM CC[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000040482350 174285860 /nfs/dbraw/zinc/28/58/60/174285860.db2.gz ANEVIKREVPNARD-NWDGAFQWSA-N -1 1 289.335 1.017 20 0 CDADMM CCc1sc(C(=O)NCc2nn[n-]n2)cc1C ZINC000044927839 175278042 /nfs/dbraw/zinc/27/80/42/175278042.db2.gz GPKQTUAYGWVADV-UHFFFAOYSA-N -1 1 251.315 1.062 20 0 CDADMM O=C([O-])C1CN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000071173009 176053047 /nfs/dbraw/zinc/05/30/47/176053047.db2.gz LBFDZKRLNWOVJB-UHFFFAOYSA-N -1 1 255.657 1.202 20 0 CDADMM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000071208771 176081899 /nfs/dbraw/zinc/08/18/99/176081899.db2.gz QOPOLGMXRTWKGV-HTQZYQBOSA-N -1 1 277.777 1.540 20 0 CDADMM CC(C)[C@@H](C)OC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589436959 1173143168 /nfs/dbraw/zinc/14/31/68/1173143168.db2.gz NHOCUFXEMYDOOG-SECBINFHSA-N -1 1 275.312 1.392 20 0 CDADMM CC(C)[C@@H](C)OC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589436959 1173143174 /nfs/dbraw/zinc/14/31/74/1173143174.db2.gz NHOCUFXEMYDOOG-SECBINFHSA-N -1 1 275.312 1.392 20 0 CDADMM CC(C)C(C)(C)CNc1nccnc1-c1nnn[n-]1 ZINC001589425200 1173144380 /nfs/dbraw/zinc/14/43/80/1173144380.db2.gz DHSXPEWZABGNQF-UHFFFAOYSA-N -1 1 261.333 1.751 20 0 CDADMM CC(C)C(C)(C)CNc1nccnc1-c1nn[n-]n1 ZINC001589425200 1173144383 /nfs/dbraw/zinc/14/43/83/1173144383.db2.gz DHSXPEWZABGNQF-UHFFFAOYSA-N -1 1 261.333 1.751 20 0 CDADMM CC(C)[C@H](C)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001589435832 1173145139 /nfs/dbraw/zinc/14/51/39/1173145139.db2.gz SKUICBUHPREOBK-ZETCQYMHSA-N -1 1 281.341 1.659 20 0 CDADMM CC(C)[C@H](C)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001589435832 1173145142 /nfs/dbraw/zinc/14/51/42/1173145142.db2.gz SKUICBUHPREOBK-ZETCQYMHSA-N -1 1 281.341 1.659 20 0 CDADMM CC(C)[C@@H]1C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001589763422 1173174617 /nfs/dbraw/zinc/17/46/17/1173174617.db2.gz KZAMVJUJMXKTCL-IUCAKERBSA-N -1 1 259.317 1.361 20 0 CDADMM CC(C)[C@@H]1C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001589763422 1173174625 /nfs/dbraw/zinc/17/46/25/1173174625.db2.gz KZAMVJUJMXKTCL-IUCAKERBSA-N -1 1 259.317 1.361 20 0 CDADMM C[C@H](CCO)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001589834695 1173188651 /nfs/dbraw/zinc/18/86/51/1173188651.db2.gz QNIXGNPYAQRNSY-RXMQYKEDSA-N -1 1 288.764 1.184 20 0 CDADMM C[C@H](CCO)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589834695 1173188663 /nfs/dbraw/zinc/18/86/63/1173188663.db2.gz QNIXGNPYAQRNSY-RXMQYKEDSA-N -1 1 288.764 1.184 20 0 CDADMM O=S(=O)([N-][C@@H](CO)CCF)c1sccc1Cl ZINC000651893836 423863144 /nfs/dbraw/zinc/86/31/44/423863144.db2.gz IHZYJGVDEHOKJB-ZCFIWIBFSA-N -1 1 287.765 1.400 20 0 CDADMM CCc1ccc(CN2CCOC[C@H]2CC(=O)[O-])cc1 ZINC000128624305 424059766 /nfs/dbraw/zinc/05/97/66/424059766.db2.gz GLQYFZYMIBOCEM-CQSZACIVSA-N -1 1 263.337 1.925 20 0 CDADMM O=C([O-])[C@H]1CCCN(Cc2cc3n(n2)CCCC3)C1 ZINC000652450865 424447521 /nfs/dbraw/zinc/44/75/21/424447521.db2.gz IJLGKTPDJFTLAH-NSHDSACASA-N -1 1 263.341 1.516 20 0 CDADMM CCc1cccc(CN2C[C@@H](C)O[C@@H](C(=O)[O-])C2)c1 ZINC000652509812 424506637 /nfs/dbraw/zinc/50/66/37/424506637.db2.gz KPSGVAMTUKNYMA-BXUZGUMPSA-N -1 1 263.337 1.923 20 0 CDADMM Cc1cc(=O)[n-]c([C@@H](C)[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n1 ZINC000652513011 424515989 /nfs/dbraw/zinc/51/59/89/424515989.db2.gz TYOVBKZZMATZIQ-ADEWGFFLSA-N -1 1 291.351 1.594 20 0 CDADMM Cc1cc(=O)[n-]c([C@@H](C)[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n1 ZINC000652513011 424515995 /nfs/dbraw/zinc/51/59/95/424515995.db2.gz TYOVBKZZMATZIQ-ADEWGFFLSA-N -1 1 291.351 1.594 20 0 CDADMM C[C@H](CNC(=O)NC[C@H](c1cccs1)N(C)C)C(=O)[O-] ZINC000653473126 424520631 /nfs/dbraw/zinc/52/06/31/424520631.db2.gz PBPJGIGIIPRKPR-NXEZZACHSA-N -1 1 299.396 1.371 20 0 CDADMM CC1(C)C[C@@H](OC(=O)c2csc(-c3nnn[n-]3)c2)CO1 ZINC001590084263 1173247980 /nfs/dbraw/zinc/24/79/80/1173247980.db2.gz AFTGVHDNCPLASB-MRVPVSSYSA-N -1 1 294.336 1.653 20 0 CDADMM CC1(C)C[C@@H](OC(=O)c2csc(-c3nn[n-]n3)c2)CO1 ZINC001590084263 1173247983 /nfs/dbraw/zinc/24/79/83/1173247983.db2.gz AFTGVHDNCPLASB-MRVPVSSYSA-N -1 1 294.336 1.653 20 0 CDADMM C[C@@H]1CCN(C(=O)c2cccc3c[nH]nc32)C[C@@H]1C(=O)[O-] ZINC000514726470 270405947 /nfs/dbraw/zinc/40/59/47/270405947.db2.gz BFMHBGBZWWFPSV-SKDRFNHKSA-N -1 1 287.319 1.746 20 0 CDADMM C[C@H]1C[C@H]1c1noc(-c2ccc(-c3nn[n-]n3)o2)n1 ZINC001590220462 1173299947 /nfs/dbraw/zinc/29/99/47/1173299947.db2.gz PLLPAOLWPVQPLI-NTSWFWBYSA-N -1 1 258.241 1.633 20 0 CDADMM CCc1cc(=O)[n-]c(SCC(=O)N(C)CC)n1 ZINC000436183479 280788943 /nfs/dbraw/zinc/78/89/43/280788943.db2.gz AEDCAWXLSLNKAN-UHFFFAOYSA-N -1 1 255.343 1.315 20 0 CDADMM C[C@@H]1CCCN1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590265672 1173326251 /nfs/dbraw/zinc/32/62/51/1173326251.db2.gz VRBZHSFJPBFFTA-SSDOTTSWSA-N -1 1 293.356 1.017 20 0 CDADMM C[C@@H]1CCCN1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590265672 1173326258 /nfs/dbraw/zinc/32/62/58/1173326258.db2.gz VRBZHSFJPBFFTA-SSDOTTSWSA-N -1 1 293.356 1.017 20 0 CDADMM COC(=O)C[C@H](C)CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000290025199 277067391 /nfs/dbraw/zinc/06/73/91/277067391.db2.gz MXOYTUOMDFDSOQ-RXMQYKEDSA-N -1 1 294.233 1.351 20 0 CDADMM CC[C@@H](C)[C@@H](C)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590399213 1173389801 /nfs/dbraw/zinc/38/98/01/1173389801.db2.gz HHKLDERRMBEPAJ-RKDXNWHRSA-N -1 1 274.328 1.426 20 0 CDADMM CC[C@@H](C)[C@@H](C)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590399213 1173389808 /nfs/dbraw/zinc/38/98/08/1173389808.db2.gz HHKLDERRMBEPAJ-RKDXNWHRSA-N -1 1 274.328 1.426 20 0 CDADMM C[C@H](C(=O)N(C)c1ccccc1)N(C)CCC(=O)[O-] ZINC000430653173 278135622 /nfs/dbraw/zinc/13/56/22/278135622.db2.gz ORXPWANAUIQTAG-LLVKDONJSA-N -1 1 264.325 1.444 20 0 CDADMM CC[C@@H](C)CN(CC)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590411348 1173399605 /nfs/dbraw/zinc/39/96/05/1173399605.db2.gz VTUFZGRVJZURSB-SNVBAGLBSA-N -1 1 288.355 1.770 20 0 CDADMM CC[C@@H](C)CN(CC)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590411348 1173399610 /nfs/dbraw/zinc/39/96/10/1173399610.db2.gz VTUFZGRVJZURSB-SNVBAGLBSA-N -1 1 288.355 1.770 20 0 CDADMM CC1(C)COCCN1C(=O)c1cc(F)ccc1[O-] ZINC000128621235 278352370 /nfs/dbraw/zinc/35/23/70/278352370.db2.gz KAFZBIVTEFEMBV-UHFFFAOYSA-N -1 1 253.273 1.782 20 0 CDADMM Cn1cc(CCNC(=O)c2cc(Cl)ccc2[O-])cn1 ZINC000048607280 279159147 /nfs/dbraw/zinc/15/91/47/279159147.db2.gz QBXBBQIIQBGMDF-UHFFFAOYSA-N -1 1 279.727 1.752 20 0 CDADMM Cc1nnc(CCNC(=O)c2cc(F)ccc2[O-])s1 ZINC000392162262 280682106 /nfs/dbraw/zinc/68/21/06/280682106.db2.gz SRPVRMSMYPXWSH-UHFFFAOYSA-N -1 1 281.312 1.664 20 0 CDADMM CCC[C@H](NC(=O)c1ccc2cnccc2n1)c1nn[n-]n1 ZINC000519810832 281040889 /nfs/dbraw/zinc/04/08/89/281040889.db2.gz SZOSBMGVWHSFEI-NSHDSACASA-N -1 1 297.322 1.414 20 0 CDADMM CC(C)(CNc1nc2[nH][n-]cc-2c(=O)n1)c1cccnc1 ZINC000520996657 281064082 /nfs/dbraw/zinc/06/40/82/281064082.db2.gz HTHWLDLBIVJPOV-UHFFFAOYSA-N -1 1 284.323 1.217 20 0 CDADMM CC[C@H]1CN(C(=O)c2cncc([O-])c2)C[C@H](C)O1 ZINC000111643807 281154111 /nfs/dbraw/zinc/15/41/11/281154111.db2.gz QVCUEZKHFMBUSR-CABZTGNLSA-N -1 1 250.298 1.427 20 0 CDADMM CCC[C@H](NC(=O)[C@@H]1[C@@H](C)[C@@H]1C1CC1)c1nn[n-]n1 ZINC000528798130 281288229 /nfs/dbraw/zinc/28/82/29/281288229.db2.gz KIVMIKBXFGGFRL-CPOMMVLXSA-N -1 1 263.345 1.449 20 0 CDADMM O[C@H](CN=c1[n-]c(C(F)(F)F)cs1)[C@@H]1CCOC1 ZINC000532716357 282029339 /nfs/dbraw/zinc/02/93/39/282029339.db2.gz CXLBLXGHSPRQDM-RNFRBKRXSA-N -1 1 282.287 1.393 20 0 CDADMM NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1cc(F)ccc1[O-] ZINC000092229311 289052075 /nfs/dbraw/zinc/05/20/75/289052075.db2.gz XPDVPJXTIHPSRL-GXSJLCMTSA-N -1 1 280.299 1.305 20 0 CDADMM CC[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001590506647 1173439850 /nfs/dbraw/zinc/43/98/50/1173439850.db2.gz URVSWGYSKDYEFD-MNOVXSKESA-N -1 1 274.328 1.053 20 0 CDADMM CC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC001590506647 1173439854 /nfs/dbraw/zinc/43/98/54/1173439854.db2.gz URVSWGYSKDYEFD-MNOVXSKESA-N -1 1 274.328 1.053 20 0 CDADMM C[C@H](C(=O)Nc1nnn[n-]1)[C@@H]1OCCc2sccc21 ZINC000293787961 289387755 /nfs/dbraw/zinc/38/77/55/289387755.db2.gz UBAKSMOWQCQZSW-RCOVLWMOSA-N -1 1 279.325 1.150 20 0 CDADMM C[C@H](C(=O)Nc1nn[n-]n1)[C@@H]1OCCc2sccc21 ZINC000293787961 289387757 /nfs/dbraw/zinc/38/77/57/289387757.db2.gz UBAKSMOWQCQZSW-RCOVLWMOSA-N -1 1 279.325 1.150 20 0 CDADMM O=C(c1ncccc1[O-])N1CCC[C@@H](N2CCCC2=O)C1 ZINC000548631694 289907667 /nfs/dbraw/zinc/90/76/67/289907667.db2.gz GHQSGXKUZHNBNT-LLVKDONJSA-N -1 1 289.335 1.014 20 0 CDADMM CCn1cc(CN(C)C(=O)C(=O)c2ccc([O-])cc2)cn1 ZINC000554506259 290166358 /nfs/dbraw/zinc/16/63/58/290166358.db2.gz CZVOPPRWKYUVDM-UHFFFAOYSA-N -1 1 287.319 1.450 20 0 CDADMM CC(C)(C)c1nc(=NCc2n[nH]c(C3CC3)n2)[n-]o1 ZINC000556251326 290261069 /nfs/dbraw/zinc/26/10/69/290261069.db2.gz NTWLAMBPILGXNP-UHFFFAOYSA-N -1 1 262.317 1.397 20 0 CDADMM Cc1o[n-]c(=N)c1S(=O)(=O)NCC1CC(C)(C)C1 ZINC000558439795 290395049 /nfs/dbraw/zinc/39/50/49/290395049.db2.gz NSPVAMIHFOJRLE-UHFFFAOYSA-N -1 1 273.358 1.110 20 0 CDADMM Cc1onc(N)c1S(=O)(=O)[N-]CC1CC(C)(C)C1 ZINC000558439795 290395053 /nfs/dbraw/zinc/39/50/53/290395053.db2.gz NSPVAMIHFOJRLE-UHFFFAOYSA-N -1 1 273.358 1.110 20 0 CDADMM CCCC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001590538974 1173455103 /nfs/dbraw/zinc/45/51/03/1173455103.db2.gz VIHRSHOUIUDUHO-UHFFFAOYSA-N -1 1 252.303 1.370 20 0 CDADMM CCCC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590538974 1173455106 /nfs/dbraw/zinc/45/51/06/1173455106.db2.gz VIHRSHOUIUDUHO-UHFFFAOYSA-N -1 1 252.303 1.370 20 0 CDADMM Cn1cc(C(=O)C(=O)Nc2c([O-])cccc2Cl)cn1 ZINC000560821668 293035592 /nfs/dbraw/zinc/03/55/92/293035592.db2.gz LVXWUFGPHOIKSI-UHFFFAOYSA-N -1 1 279.683 1.601 20 0 CDADMM CC(C)c1nc(=NCc2n[nH]c(C(C)C)n2)s[n-]1 ZINC000562703980 293179210 /nfs/dbraw/zinc/17/92/10/293179210.db2.gz ZHIMYRPMLGZAQT-UHFFFAOYSA-N -1 1 266.374 1.937 20 0 CDADMM CCC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001590553701 1173460170 /nfs/dbraw/zinc/46/01/70/1173460170.db2.gz RBWHLXPINJVWAJ-SSDOTTSWSA-N -1 1 294.746 1.834 20 0 CDADMM CCC[C@@H](COC(=O)c1csc(-c2nnn[n-]2)c1)OC ZINC001590557611 1173460801 /nfs/dbraw/zinc/46/08/01/1173460801.db2.gz DJQSGFPLWCKECQ-VIFPVBQESA-N -1 1 296.352 1.900 20 0 CDADMM CCC[C@@H](COC(=O)c1csc(-c2nn[n-]n2)c1)OC ZINC001590557611 1173460809 /nfs/dbraw/zinc/46/08/09/1173460809.db2.gz DJQSGFPLWCKECQ-VIFPVBQESA-N -1 1 296.352 1.900 20 0 CDADMM CCC[C@@H](O)CN(CC(=O)[O-])Cc1ccccc1 ZINC000563283417 293333301 /nfs/dbraw/zinc/33/33/01/293333301.db2.gz YLQQUHQYPOHDSI-CYBMUJFWSA-N -1 1 251.326 1.734 20 0 CDADMM CCCC1(CNc2cc(-c3nn[n-]n3)nc(C)n2)CC1 ZINC001590565708 1173466992 /nfs/dbraw/zinc/46/69/92/1173466992.db2.gz QYVWMQYJUMRDJE-UHFFFAOYSA-N -1 1 273.344 1.957 20 0 CDADMM Cc1ccc(CC(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1O ZINC000568943391 294125792 /nfs/dbraw/zinc/12/57/92/294125792.db2.gz OECZKZLENYDXTD-SNVBAGLBSA-N -1 1 289.339 1.018 20 0 CDADMM Cc1ccccc1[C@H](N)C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000569009125 294142062 /nfs/dbraw/zinc/14/20/62/294142062.db2.gz XJHIYXIVZHLINR-BZPMIXESSA-N -1 1 290.363 1.707 20 0 CDADMM O=C1NCCN(Cc2ncccc2[O-])[C@@H]1c1ccccc1 ZINC000570435180 294238255 /nfs/dbraw/zinc/23/82/55/294238255.db2.gz OKZDDKJUURUGKA-OAHLLOKOSA-N -1 1 283.331 1.460 20 0 CDADMM COc1cc(CN2CCSC[C@H]2CC(=O)[O-])ccn1 ZINC000570975284 294345602 /nfs/dbraw/zinc/34/56/02/294345602.db2.gz BRUPLVTYFJWEMQ-LLVKDONJSA-N 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1173684568 /nfs/dbraw/zinc/68/45/68/1173684568.db2.gz XMIBKICDMJMUJT-JTQLQIEISA-N -1 1 276.369 1.512 20 0 CDADMM O=C1C[C@@H](c2nc(-c3ccc([O-])cc3F)no2)CCN1 ZINC000350813820 316206966 /nfs/dbraw/zinc/20/69/66/316206966.db2.gz CIXQOSSFXDJWDE-ZETCQYMHSA-N -1 1 277.255 1.575 20 0 CDADMM Cn1c(=O)cccc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350823802 316209651 /nfs/dbraw/zinc/20/96/51/316209651.db2.gz NUXQWBYHUOINGU-UHFFFAOYSA-N -1 1 287.250 1.947 20 0 CDADMM CCc1cccc(C(=O)NC2C[NH+](C(C)C)C2)c1O ZINC000563867675 316385298 /nfs/dbraw/zinc/38/52/98/316385298.db2.gz AJFSQVVJGUDYND-UHFFFAOYSA-N -1 1 262.353 1.777 20 0 CDADMM CCc1oc(C(=O)[O-])cc1CN1CCCOCC1 ZINC000577118113 317269245 /nfs/dbraw/zinc/26/92/45/317269245.db2.gz ORJUSIHNIQHXJC-UHFFFAOYSA-N -1 1 253.298 1.763 20 0 CDADMM CC[C@@H](C)N(CC(=O)OC)Cc1ncccc1[O-] ZINC000577145448 317273961 /nfs/dbraw/zinc/27/39/61/317273961.db2.gz DNAUZRADHJGWRV-SNVBAGLBSA-N -1 1 252.314 1.561 20 0 CDADMM CC1=C(C)C[C@H](C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)CC1 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CC1=C(C(=O)[O-])C[C@@H](CN(C)Cc2cccc(C)n2)O1 ZINC000833584311 605366279 /nfs/dbraw/zinc/36/62/79/605366279.db2.gz ONMBJRJHRKZLSC-ZDUSSCGKSA-N -1 1 276.336 1.969 20 0 CDADMM Cc1c(NC(=O)N[C@H](C)c2nnc[nH]2)cccc1C(=O)[O-] ZINC000230435368 605479747 /nfs/dbraw/zinc/47/97/47/605479747.db2.gz FZSPTYWQOMLOKT-MRVPVSSYSA-N -1 1 289.295 1.694 20 0 CDADMM CC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)C1CCOCC1 ZINC000820926753 606043284 /nfs/dbraw/zinc/04/32/84/606043284.db2.gz WCPJACSTYFCUNI-LLVKDONJSA-N -1 1 288.355 1.879 20 0 CDADMM CC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)C1CCOCC1 ZINC000820926753 606043290 /nfs/dbraw/zinc/04/32/90/606043290.db2.gz WCPJACSTYFCUNI-LLVKDONJSA-N -1 1 288.355 1.879 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CC1CCCCCC1 ZINC000822903676 606128717 /nfs/dbraw/zinc/12/87/17/606128717.db2.gz NRFXWFMGBAURRE-UHFFFAOYSA-N -1 1 289.343 1.646 20 0 CDADMM C[C@@H](CNc1cccc(-c2nnn[n-]2)n1)c1ccncc1 ZINC000820280898 606477004 /nfs/dbraw/zinc/47/70/04/606477004.db2.gz OTPDCADENXJVJS-JTQLQIEISA-N -1 1 281.323 1.872 20 0 CDADMM C[C@@H](CNc1cccc(-c2nn[n-]n2)n1)c1ccncc1 ZINC000820280898 606477006 /nfs/dbraw/zinc/47/70/06/606477006.db2.gz OTPDCADENXJVJS-JTQLQIEISA-N -1 1 281.323 1.872 20 0 CDADMM O=C(NCC1CCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823176714 606509586 /nfs/dbraw/zinc/50/95/86/606509586.db2.gz XDWJOTPUHZAYJP-UHFFFAOYSA-N -1 1 263.326 1.458 20 0 CDADMM O=C(NCC1CCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823176714 606509588 /nfs/dbraw/zinc/50/95/88/606509588.db2.gz XDWJOTPUHZAYJP-UHFFFAOYSA-N -1 1 263.326 1.458 20 0 CDADMM O=C(NCC1CCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823175670 606509494 /nfs/dbraw/zinc/50/94/94/606509494.db2.gz MAGLIRPQMLCDFZ-UHFFFAOYSA-N -1 1 277.353 1.848 20 0 CDADMM O=C(NCC1CCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823175670 606509496 /nfs/dbraw/zinc/50/94/96/606509496.db2.gz MAGLIRPQMLCDFZ-UHFFFAOYSA-N -1 1 277.353 1.848 20 0 CDADMM CCc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)no1 ZINC000821470058 606569133 /nfs/dbraw/zinc/56/91/33/606569133.db2.gz LEPSTNPZTUXPAR-UHFFFAOYSA-N -1 1 290.308 1.731 20 0 CDADMM CCc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)no1 ZINC000821470058 606569134 /nfs/dbraw/zinc/56/91/34/606569134.db2.gz LEPSTNPZTUXPAR-UHFFFAOYSA-N -1 1 290.308 1.731 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C=C1CCCCC1 ZINC000822903348 606828840 /nfs/dbraw/zinc/82/88/40/606828840.db2.gz JFFAFAJKBXNDOO-UHFFFAOYSA-N -1 1 273.300 1.176 20 0 CDADMM CCCCNC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000825285004 607865164 /nfs/dbraw/zinc/86/51/64/607865164.db2.gz GBWMBUIARFCDEJ-UHFFFAOYSA-N -1 1 293.302 1.301 20 0 CDADMM CCCCNC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000825285004 607865165 /nfs/dbraw/zinc/86/51/65/607865165.db2.gz GBWMBUIARFCDEJ-UHFFFAOYSA-N -1 1 293.302 1.301 20 0 CDADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC000095222115 607896213 /nfs/dbraw/zinc/89/62/13/607896213.db2.gz WYTWFVCJUDKVGD-SCZZXKLOSA-N -1 1 260.301 1.241 20 0 CDADMM OC[C@H]1CC[C@H](Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000826510395 607902373 /nfs/dbraw/zinc/90/23/73/607902373.db2.gz OCRPJSDPLKSTBK-MGCOHNPYSA-N -1 1 274.328 1.225 20 0 CDADMM OC[C@H]1CC[C@H](Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000826510395 607902374 /nfs/dbraw/zinc/90/23/74/607902374.db2.gz OCRPJSDPLKSTBK-MGCOHNPYSA-N -1 1 274.328 1.225 20 0 CDADMM CCc1nc2sccc2c(-n2cnc(-c3nn[n-]n3)n2)n1 ZINC000825740363 607964981 /nfs/dbraw/zinc/96/49/81/607964981.db2.gz SUYXVUZYBUDTNJ-UHFFFAOYSA-N -1 1 299.323 1.015 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC1CCCCCC1 ZINC000826514529 607988060 /nfs/dbraw/zinc/98/80/60/607988060.db2.gz UVQITSSFCLKZFU-UHFFFAOYSA-N -1 1 259.317 1.791 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC1CCCCCC1 ZINC000826514529 607988059 /nfs/dbraw/zinc/98/80/59/607988059.db2.gz UVQITSSFCLKZFU-UHFFFAOYSA-N -1 1 259.317 1.791 20 0 CDADMM COc1ccc(CCn2ccnc2-c2nnn[n-]2)cc1 ZINC000826192687 608013443 /nfs/dbraw/zinc/01/34/43/608013443.db2.gz WWCLMDXMKTUEPA-UHFFFAOYSA-N -1 1 270.296 1.315 20 0 CDADMM COc1ccc(CCn2ccnc2-c2nn[n-]n2)cc1 ZINC000826192687 608013444 /nfs/dbraw/zinc/01/34/44/608013444.db2.gz WWCLMDXMKTUEPA-UHFFFAOYSA-N -1 1 270.296 1.315 20 0 CDADMM COc1ccccc1OCCn1ccnc1-c1nn[n-]n1 ZINC000826221043 608014295 /nfs/dbraw/zinc/01/42/95/608014295.db2.gz MDJACISOXJAOCT-UHFFFAOYSA-N -1 1 286.295 1.151 20 0 CDADMM COc1ccccc1OCCn1ccnc1-c1nnn[n-]1 ZINC000826221043 608014294 /nfs/dbraw/zinc/01/42/94/608014294.db2.gz MDJACISOXJAOCT-UHFFFAOYSA-N -1 1 286.295 1.151 20 0 CDADMM c1ccc(C[C@H]2C[C@H]2Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826520785 608424186 /nfs/dbraw/zinc/42/41/86/608424186.db2.gz RCHKZAHJADXINF-WCQYABFASA-N -1 1 293.334 1.700 20 0 CDADMM c1ccc(C[C@H]2C[C@H]2Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826520785 608424188 /nfs/dbraw/zinc/42/41/88/608424188.db2.gz RCHKZAHJADXINF-WCQYABFASA-N -1 1 293.334 1.700 20 0 CDADMM OC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCCCC1 ZINC000826508480 608428495 /nfs/dbraw/zinc/42/84/95/608428495.db2.gz QLKZYLYMAYIBBR-LLVKDONJSA-N -1 1 289.343 1.010 20 0 CDADMM OC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCCCC1 ZINC000826508480 608428497 /nfs/dbraw/zinc/42/84/97/608428497.db2.gz QLKZYLYMAYIBBR-LLVKDONJSA-N -1 1 289.343 1.010 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000826514679 608433200 /nfs/dbraw/zinc/43/32/00/608433200.db2.gz ZGTDRTUHNSWLIM-FXPVBKGRSA-N -1 1 287.327 1.026 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000826514679 608433203 /nfs/dbraw/zinc/43/32/03/608433203.db2.gz ZGTDRTUHNSWLIM-FXPVBKGRSA-N -1 1 287.327 1.026 20 0 CDADMM Cc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1F ZINC000826299500 608591879 /nfs/dbraw/zinc/59/18/79/608591879.db2.gz HSAVCQSZHGBGNN-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1F ZINC000826299500 608591881 /nfs/dbraw/zinc/59/18/81/608591881.db2.gz HSAVCQSZHGBGNN-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM O=c1c(-c2nn[n-]n2)cccn1CC1CCCCC1 ZINC000826501574 609379556 /nfs/dbraw/zinc/37/95/56/609379556.db2.gz WNIIEOWCHNWTRO-UHFFFAOYSA-N -1 1 259.313 1.609 20 0 CDADMM C[C@@H]1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC000824915190 609389158 /nfs/dbraw/zinc/38/91/58/609389158.db2.gz CBNSRLYROGHGEE-YGRLFVJLSA-N -1 1 285.355 1.673 20 0 CDADMM C[C@@H]1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC000824915190 609389160 /nfs/dbraw/zinc/38/91/60/609389160.db2.gz CBNSRLYROGHGEE-YGRLFVJLSA-N -1 1 285.355 1.673 20 0 CDADMM CCOc1cc(C(=O)[N-]c2ccnc(F)c2OC)on1 ZINC000890826498 617339617 /nfs/dbraw/zinc/33/96/17/617339617.db2.gz VHUGXYPNSSCHGS-UHFFFAOYSA-N -1 1 281.243 1.868 20 0 CDADMM CC(C)(C)C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000942377243 613888947 /nfs/dbraw/zinc/88/89/47/613888947.db2.gz ULNBRJBQUVLLND-SNVBAGLBSA-N -1 1 291.351 1.164 20 0 CDADMM CC(=O)NC[C@H]1[C@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC000945756325 613942285 /nfs/dbraw/zinc/94/22/85/613942285.db2.gz KLGVYQLQPLZBRR-PWSUYJOCSA-N -1 1 291.351 1.164 20 0 CDADMM CCC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000946060688 614408494 /nfs/dbraw/zinc/40/84/94/614408494.db2.gz QIACIGUDUAQDNN-MNOVXSKESA-N -1 1 291.351 1.212 20 0 CDADMM C[C@H]1CN(C)C(=O)CN1C(=O)c1cc(Cl)ccc1[O-] ZINC000782887279 617548586 /nfs/dbraw/zinc/54/85/86/617548586.db2.gz RSPRNWVRWFOXJS-QMMMGPOBSA-N -1 1 282.727 1.348 20 0 CDADMM COCc1nc(N[C@@H](CO)Cc2ccccc2)cc(=O)[n-]1 ZINC000891795235 617593647 /nfs/dbraw/zinc/59/36/47/617593647.db2.gz FNHULGVIHZJIGZ-GFCCVEGCSA-N -1 1 289.335 1.344 20 0 CDADMM O=C(N[C@@H]1CC12CC(O)C2)c1ccc2ccc(O)cc2c1[O-] ZINC000888948750 617600273 /nfs/dbraw/zinc/60/02/73/617600273.db2.gz NSPOCMZHANPLKY-CHHLVHLRSA-N -1 1 299.326 1.894 20 0 CDADMM CC(C)OC(=O)c1cc(NC(=O)[C@H]2CCC(C)(C)O2)n[nH]1 ZINC000888118994 620750526 /nfs/dbraw/zinc/75/05/26/620750526.db2.gz PLNCCFRHJBXCGL-SNVBAGLBSA-N -1 1 295.339 1.871 20 0 CDADMM COCc1nc(N(C)Cc2cccc(O)c2)cc(=O)[n-]1 ZINC000893019915 618063207 /nfs/dbraw/zinc/06/32/07/618063207.db2.gz XAMOQUIVJDPBDR-UHFFFAOYSA-N -1 1 275.308 1.671 20 0 CDADMM CC(C)CCC[C@@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)C(=O)[O-] ZINC000910573996 618277546 /nfs/dbraw/zinc/27/75/46/618277546.db2.gz BLQFPSRIFVAQDR-WCQYABFASA-N -1 1 295.383 1.984 20 0 CDADMM CC(C)N1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)CC1 ZINC000901942371 618379679 /nfs/dbraw/zinc/37/96/79/618379679.db2.gz RJXRQORMWLJWJD-GQCTYLIASA-N -1 1 292.335 1.544 20 0 CDADMM Cc1ncc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])n1C ZINC000901975480 618415042 /nfs/dbraw/zinc/41/50/42/618415042.db2.gz NVXDZPBVNDTYSZ-OAHLLOKOSA-N -1 1 285.347 1.740 20 0 CDADMM Cc1cc(CC(=O)NC[C@@H](CC(C)C)C(=O)[O-])[nH]n1 ZINC000818326452 618506255 /nfs/dbraw/zinc/50/62/55/618506255.db2.gz XTFPEKUIQVIKAC-SNVBAGLBSA-N -1 1 267.329 1.124 20 0 CDADMM CCN(C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C)[C@@H](C)C(=O)[O-] ZINC000902047737 618517339 /nfs/dbraw/zinc/51/73/39/618517339.db2.gz RTDMORMNSNXDKF-AUTRQRHGSA-N -1 1 279.340 1.397 20 0 CDADMM C[C@H](C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)N(C)C ZINC000902082404 618546635 /nfs/dbraw/zinc/54/66/35/618546635.db2.gz BZTYITQFKYRERE-QMTHXVAHSA-N -1 1 264.325 1.053 20 0 CDADMM C[C@@H](COc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824450092 618572949 /nfs/dbraw/zinc/57/29/49/618572949.db2.gz RUKMCKPEUASJEU-JTQLQIEISA-N -1 1 297.322 1.536 20 0 CDADMM C[C@@H](COc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824450092 618572957 /nfs/dbraw/zinc/57/29/57/618572957.db2.gz RUKMCKPEUASJEU-JTQLQIEISA-N -1 1 297.322 1.536 20 0 CDADMM C[C@@H]1CN(Cc2nc(N)c3ccccc3n2)C[C@@H]1C(=O)[O-] ZINC000828461690 618622086 /nfs/dbraw/zinc/62/20/86/618622086.db2.gz BJOYDINIQORXAG-KOLCDFICSA-N -1 1 286.335 1.365 20 0 CDADMM COCc1nc(N[C@H](C)c2ccn(C)n2)cc(=O)[n-]1 ZINC000894165956 618644287 /nfs/dbraw/zinc/64/42/87/618644287.db2.gz AYFZKFLHDFJBFW-MRVPVSSYSA-N -1 1 263.301 1.235 20 0 CDADMM CC[C@H](COCC1CC1)Nc1cc(=O)[n-]c(COC)n1 ZINC000894489123 618914034 /nfs/dbraw/zinc/91/40/34/618914034.db2.gz QHLDKUGGLBYTMZ-LLVKDONJSA-N -1 1 281.356 1.946 20 0 CDADMM CCCCCC[C@@](C)(NC(=O)[C@@H](C)N(C)C)C(=O)[O-] ZINC000909434867 619260245 /nfs/dbraw/zinc/26/02/45/619260245.db2.gz YDUCCGBGMKSHAC-BXUZGUMPSA-N -1 1 272.389 1.866 20 0 CDADMM CCc1cc(C[N-]S(=O)(=O)c2cccnc2F)on1 ZINC000881931114 619288781 /nfs/dbraw/zinc/28/87/81/619288781.db2.gz JTLSPUYMZSPVCN-UHFFFAOYSA-N -1 1 285.300 1.250 20 0 CDADMM C[C@H](CN(C(=O)c1cccc2nn[nH]c21)C1CC1)C(=O)[O-] ZINC000909456549 619332092 /nfs/dbraw/zinc/33/20/92/619332092.db2.gz SNSWREODRFMUEN-MRVPVSSYSA-N -1 1 288.307 1.283 20 0 CDADMM CCN(CC)CC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000909494772 619403878 /nfs/dbraw/zinc/40/38/78/619403878.db2.gz YDTMGAWDMRJDDH-UHFFFAOYSA-N -1 1 280.324 1.430 20 0 CDADMM CN1CCC[C@@H]1C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000909530933 619929088 /nfs/dbraw/zinc/92/90/88/619929088.db2.gz JAXRGTDSUFDXHB-MISXGVKJSA-N -1 1 268.357 1.230 20 0 CDADMM CCC[C@@H]1C[C@H]1NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000909557540 620291001 /nfs/dbraw/zinc/29/10/01/620291001.db2.gz KTVDRWFRCOTUHJ-IJLUTSLNSA-N -1 1 268.357 1.088 20 0 CDADMM O=C(c1ccc2ccc(O)cc2c1[O-])N(CCO)C1CC1 ZINC000897231790 620433260 /nfs/dbraw/zinc/43/32/60/620433260.db2.gz WWHNMFCFWQIGFV-UHFFFAOYSA-N -1 1 287.315 1.848 20 0 CDADMM 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CCC[C@@H](CNC(=O)c1coc(-c2nnn[n-]2)c1)OCC ZINC001604145384 1163105980 /nfs/dbraw/zinc/10/59/80/1163105980.db2.gz YRUNDBWACSVCFK-JTQLQIEISA-N -1 1 293.327 1.395 20 0 CDADMM CCC[C@@H](CNC(=O)c1coc(-c2nn[n-]n2)c1)OCC ZINC001604145384 1163105984 /nfs/dbraw/zinc/10/59/84/1163105984.db2.gz YRUNDBWACSVCFK-JTQLQIEISA-N -1 1 293.327 1.395 20 0 CDADMM C[C@H](CNC(=O)[C@H](N)Cc1cc2ccccc2o1)C(=O)[O-] ZINC001604171689 1163115125 /nfs/dbraw/zinc/11/51/25/1163115125.db2.gz FMGHLEQVOURPKS-BXKDBHETSA-N -1 1 290.319 1.140 20 0 CDADMM CCCONC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001604229778 1163129715 /nfs/dbraw/zinc/12/97/15/1163129715.db2.gz GCQRNKRTRXWOBM-UHFFFAOYSA-N -1 1 283.238 1.216 20 0 CDADMM CCCONC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001604229778 1163129719 /nfs/dbraw/zinc/12/97/19/1163129719.db2.gz GCQRNKRTRXWOBM-UHFFFAOYSA-N -1 1 283.238 1.216 20 0 CDADMM C[C@H](NC(=O)c1ccccc1CCC(=O)[O-])c1nnc[nH]1 ZINC001604314583 1163146629 /nfs/dbraw/zinc/14/66/29/1163146629.db2.gz LOGOTSDVHKXJJI-VIFPVBQESA-N -1 1 288.307 1.313 20 0 CDADMM CC[N@H+](Cc1cc(-c2nn[nH]n2)cnc1Cl)[C@H](C)CO ZINC001604319402 1163147390 /nfs/dbraw/zinc/14/73/90/1163147390.db2.gz IDXVGIYFYXGGPN-MRVPVSSYSA-N -1 1 296.762 1.118 20 0 CDADMM CC[N@@H+](Cc1cc(-c2nn[nH]n2)cnc1Cl)[C@H](C)CO ZINC001604319402 1163147396 /nfs/dbraw/zinc/14/73/96/1163147396.db2.gz IDXVGIYFYXGGPN-MRVPVSSYSA-N -1 1 296.762 1.118 20 0 CDADMM C[C@](NC(=O)c1[nH]ncc1F)(C(=O)[O-])c1ccccc1 ZINC001604317036 1163148182 /nfs/dbraw/zinc/14/81/82/1163148182.db2.gz XHTQGKGVUNHCSW-CYBMUJFWSA-N -1 1 277.255 1.279 20 0 CDADMM CCC1=C(C(=O)[N-]OC2CCOCC2)CCCO1 ZINC000790910099 1162176796 /nfs/dbraw/zinc/17/67/96/1162176796.db2.gz XBVLCYZEGMRTDQ-UHFFFAOYSA-N -1 1 255.314 1.688 20 0 CDADMM CCOC[C@H](C)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001604433262 1163186969 /nfs/dbraw/zinc/18/69/69/1163186969.db2.gz MBKBAGBOGHQHPL-ZETCQYMHSA-N -1 1 281.341 1.083 20 0 CDADMM CCOC[C@H](C)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001604433262 1163186971 /nfs/dbraw/zinc/18/69/71/1163186971.db2.gz MBKBAGBOGHQHPL-ZETCQYMHSA-N -1 1 281.341 1.083 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCCCCC2)n1 ZINC001604543853 1163226024 /nfs/dbraw/zinc/22/60/24/1163226024.db2.gz VGMMSNNXBVMGDG-UHFFFAOYSA-N -1 1 287.371 1.990 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCCCCC2)n1 ZINC001604543853 1163226027 /nfs/dbraw/zinc/22/60/27/1163226027.db2.gz VGMMSNNXBVMGDG-UHFFFAOYSA-N -1 1 287.371 1.990 20 0 CDADMM Cc1[nH]n([C@@H]2C[C@@H](C)O[C@@H](C)C2)c(=O)c1CC(=O)[O-] ZINC001604616509 1163251303 /nfs/dbraw/zinc/25/13/03/1163251303.db2.gz WQBHAPWXCSFEOP-JZSSXWJLSA-N -1 1 268.313 1.251 20 0 CDADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cn1 ZINC001604657727 1163271562 /nfs/dbraw/zinc/27/15/62/1163271562.db2.gz BOJWTYUHHZMCJO-UHFFFAOYSA-N -1 1 299.269 1.072 20 0 CDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cn1 ZINC001604657727 1163271568 /nfs/dbraw/zinc/27/15/68/1163271568.db2.gz BOJWTYUHHZMCJO-UHFFFAOYSA-N -1 1 299.269 1.072 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1C[C@@H]1C1CC1 ZINC001604793363 1163325334 /nfs/dbraw/zinc/32/53/34/1163325334.db2.gz WXTPGWQLAOEDDS-UHTWSYAYSA-N -1 1 280.368 1.040 20 0 CDADMM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccnc2)CC2(CCC2)O1 ZINC001604787259 1163326346 /nfs/dbraw/zinc/32/63/46/1163326346.db2.gz YMKHNQCIGZDFII-DGCLKSJQSA-N -1 1 276.336 1.851 20 0 CDADMM CC[C@@H](CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])C(C)C ZINC001604980192 1163403237 /nfs/dbraw/zinc/40/32/37/1163403237.db2.gz ARWVIWMDHPBVCJ-JQWIXIFHSA-N -1 1 281.356 1.594 20 0 CDADMM CO[C@@H](Cn1cccc(-c2nn[n-]n2)c1=O)C1CCCC1 ZINC001605011938 1163415441 /nfs/dbraw/zinc/41/54/41/1163415441.db2.gz GSADUEVOQNFJFK-LBPRGKRZSA-N -1 1 289.339 1.234 20 0 CDADMM CCCC[C@H](C)N(C)Cc1cn(CC(=O)[O-])nn1 ZINC001605236989 1163499106 /nfs/dbraw/zinc/49/91/06/1163499106.db2.gz SYJHDYNPADACCA-JTQLQIEISA-N -1 1 254.334 1.373 20 0 CDADMM CCCC[C@@H](OC(=O)c1[nH]nc2c1CCC2)C(=O)[O-] ZINC001605248843 1163502771 /nfs/dbraw/zinc/50/27/71/1163502771.db2.gz CHRWFLZNZWDPHR-SNVBAGLBSA-N -1 1 266.297 1.699 20 0 CDADMM C[C@@H](CO)Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001605402030 1163550577 /nfs/dbraw/zinc/55/05/77/1163550577.db2.gz QHHOHLKYPDLRGF-YFKPBYRVSA-N -1 1 288.233 1.073 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)[C@H](C)C1 ZINC001605409829 1163556133 /nfs/dbraw/zinc/55/61/33/1163556133.db2.gz LGPXOELXCHERIT-RKDXNWHRSA-N -1 1 275.312 1.720 20 0 CDADMM C[C@H]1C[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)CCO1 ZINC001605443062 1163565932 /nfs/dbraw/zinc/56/59/32/1163565932.db2.gz AMQGYNYVMBVKEY-NSHDSACASA-N -1 1 298.350 1.340 20 0 CDADMM C[C@H]1C[N@@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)CCO1 ZINC001605443062 1163565937 /nfs/dbraw/zinc/56/59/37/1163565937.db2.gz AMQGYNYVMBVKEY-NSHDSACASA-N -1 1 298.350 1.340 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC3(C2)CCCCC3)n1 ZINC001605558440 1163609270 /nfs/dbraw/zinc/60/92/70/1163609270.db2.gz TYMXBNGRRRBTHG-UHFFFAOYSA-N -1 1 285.355 1.736 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC3(C2)CCCCC3)n1 ZINC001605558440 1163609273 /nfs/dbraw/zinc/60/92/73/1163609273.db2.gz TYMXBNGRRRBTHG-UHFFFAOYSA-N -1 1 285.355 1.736 20 0 CDADMM Cc1ncsc1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001605583880 1163616599 /nfs/dbraw/zinc/61/65/99/1163616599.db2.gz WSBDVMWOFJZJKN-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Cc1ncsc1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001605583880 1163616602 /nfs/dbraw/zinc/61/66/02/1163616602.db2.gz WSBDVMWOFJZJKN-UHFFFAOYSA-N -1 1 288.340 1.342 20 0 CDADMM Cc1cc(N2C[C@H](C)O[C@@H](C)[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001605689240 1163642941 /nfs/dbraw/zinc/64/29/41/1163642941.db2.gz QXHSBJMKIPSCEF-DCAQKATOSA-N -1 1 288.355 1.572 20 0 CDADMM Cc1cc(N2C[C@H](C)O[C@@H](C)[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001605689240 1163642943 /nfs/dbraw/zinc/64/29/43/1163642943.db2.gz QXHSBJMKIPSCEF-DCAQKATOSA-N -1 1 288.355 1.572 20 0 CDADMM Cc1cc(NC/C=C/C2CC2)nc(-c2nnn[n-]2)c1 ZINC001605733010 1163655578 /nfs/dbraw/zinc/65/55/78/1163655578.db2.gz YDLKMHDSUXRATD-NSCUHMNNSA-N -1 1 256.313 1.948 20 0 CDADMM Cc1cc(NC/C=C/C2CC2)nc(-c2nn[n-]n2)c1 ZINC001605733010 1163655582 /nfs/dbraw/zinc/65/55/82/1163655582.db2.gz YDLKMHDSUXRATD-NSCUHMNNSA-N -1 1 256.313 1.948 20 0 CDADMM Cc1ccc(CCNc2ccnc(-c3nn[n-]n3)n2)cc1C ZINC001605843112 1163685735 /nfs/dbraw/zinc/68/57/35/1163685735.db2.gz MAEIPGVIZKBBMD-UHFFFAOYSA-N -1 1 295.350 1.350 20 0 CDADMM Cc1ccc(NC[C@H]2CCCCO2)c(-c2nnn[n-]2)n1 ZINC001605874784 1163702249 /nfs/dbraw/zinc/70/22/49/1163702249.db2.gz QUABRQZVNGQIPI-SNVBAGLBSA-N -1 1 274.328 1.551 20 0 CDADMM Cc1ccc(NC[C@H]2CCCCO2)c(-c2nn[n-]n2)n1 ZINC001605874784 1163702258 /nfs/dbraw/zinc/70/22/58/1163702258.db2.gz QUABRQZVNGQIPI-SNVBAGLBSA-N -1 1 274.328 1.551 20 0 CDADMM CCc1oc(CN2C[C@@H](O)C[C@H]2C)cc1C(=O)[O-] ZINC001605890690 1163707255 /nfs/dbraw/zinc/70/72/55/1163707255.db2.gz UEFVWGPUCFRKHT-BDAKNGLRSA-N -1 1 253.298 1.495 20 0 CDADMM Cc1cccc([C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001605905351 1163711524 /nfs/dbraw/zinc/71/15/24/1163711524.db2.gz DAZIFBDZHLYSIP-NSHDSACASA-N -1 1 295.350 1.603 20 0 CDADMM Cc1cccc([C@@H](O)CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001605907356 1163712372 /nfs/dbraw/zinc/71/23/72/1163712372.db2.gz GYHAEUAXXXZNMF-LBPRGKRZSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1cccc([C@@H](O)CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001605907356 1163712378 /nfs/dbraw/zinc/71/23/78/1163712378.db2.gz GYHAEUAXXXZNMF-LBPRGKRZSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1cccc(CNc2cc(C)nc(-c3nnn[n-]3)c2)n1 ZINC001605914585 1163713059 /nfs/dbraw/zinc/71/30/59/1163713059.db2.gz PHTFNIVDCWBTFC-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1cccc(CNc2cc(C)nc(-c3nn[n-]n3)c2)n1 ZINC001605914585 1163713067 /nfs/dbraw/zinc/71/30/67/1163713067.db2.gz PHTFNIVDCWBTFC-UHFFFAOYSA-N -1 1 281.323 1.886 20 0 CDADMM Cc1[nH]nc(NC(=O)C(C)(C)C2CC2)c1-c1nn[n-]n1 ZINC001606013477 1163744233 /nfs/dbraw/zinc/74/42/33/1163744233.db2.gz REGIBZAGDFGWFC-UHFFFAOYSA-N -1 1 275.316 1.273 20 0 CDADMM Cc1nc(Nc2cnn(CC(C)C)c2)cc(-c2nnn[n-]2)n1 ZINC001606078368 1163766356 /nfs/dbraw/zinc/76/63/56/1163766356.db2.gz GDNVTSUWQOBMCY-UHFFFAOYSA-N -1 1 299.342 1.561 20 0 CDADMM Cc1nc(Nc2cnn(CC(C)C)c2)cc(-c2nn[n-]n2)n1 ZINC001606078368 1163766361 /nfs/dbraw/zinc/76/63/61/1163766361.db2.gz GDNVTSUWQOBMCY-UHFFFAOYSA-N -1 1 299.342 1.561 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@@H](C)C(C)(F)F)c1-c1nnn[n-]1 ZINC001606109867 1163775415 /nfs/dbraw/zinc/77/54/15/1163775415.db2.gz ANISJJMEKGBCGP-RXMQYKEDSA-N -1 1 299.285 1.138 20 0 CDADMM Cc1nn(C)c(NC(=O)[C@@H](C)C(C)(F)F)c1-c1nn[n-]n1 ZINC001606109867 1163775419 /nfs/dbraw/zinc/77/54/19/1163775419.db2.gz ANISJJMEKGBCGP-RXMQYKEDSA-N -1 1 299.285 1.138 20 0 CDADMM CN(CCOCC1CC1)Cc1ccc(C(=O)[O-])[nH]1 ZINC001606134990 1163785741 /nfs/dbraw/zinc/78/57/41/1163785741.db2.gz NNXDQCBOYZNVQZ-UHFFFAOYSA-N -1 1 252.314 1.571 20 0 CDADMM Clc1ccc(OCc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC001606193729 1163802919 /nfs/dbraw/zinc/80/29/19/1163802919.db2.gz RTCQTJLSFZAHAR-UHFFFAOYSA-N -1 1 288.698 1.889 20 0 CDADMM Clc1ccc(OCc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC001606193729 1163802928 /nfs/dbraw/zinc/80/29/28/1163802928.db2.gz RTCQTJLSFZAHAR-UHFFFAOYSA-N -1 1 288.698 1.889 20 0 CDADMM CN1C[C@@H](NC(=O)c2ccc(/C=C\C(=O)[O-])o2)C(C)(C)C1 ZINC001606202224 1163804548 /nfs/dbraw/zinc/80/45/48/1163804548.db2.gz GDHDDNGUAQGFMF-SMYYYNMVSA-N -1 1 292.335 1.447 20 0 CDADMM CN1CCN([C@@H](C(=O)[O-])c2ccsc2)CC1(C)C ZINC001606238268 1163822617 /nfs/dbraw/zinc/82/26/17/1163822617.db2.gz RSJCAPKOAHUIJW-LLVKDONJSA-N -1 1 268.382 1.900 20 0 CDADMM FC(F)(F)SCCOc1cnc(-c2nn[n-]n2)nc1 ZINC001606291193 1163838447 /nfs/dbraw/zinc/83/84/47/1163838447.db2.gz ZBZNJYKALLLBKI-UHFFFAOYSA-N -1 1 292.246 1.289 20 0 CDADMM FC1(F)CC[C@@H](CCNc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001606300035 1163846670 /nfs/dbraw/zinc/84/66/70/1163846670.db2.gz FYKPTAFPVRHCTD-QMMMGPOBSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(C2CC2)CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001606301309 1163849007 /nfs/dbraw/zinc/84/90/07/1163849007.db2.gz SDGDKWQVKHQISO-UHFFFAOYSA-N -1 1 288.330 1.980 20 0 CDADMM FC1(C2CC2)CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001606301309 1163849015 /nfs/dbraw/zinc/84/90/15/1163849015.db2.gz SDGDKWQVKHQISO-UHFFFAOYSA-N -1 1 288.330 1.980 20 0 CDADMM COC(=O)C1(CNCc2cc(C(=O)[O-])no2)CCCC1 ZINC001606350297 1163874433 /nfs/dbraw/zinc/87/44/33/1163874433.db2.gz ZUULKZAXJNGOGT-UHFFFAOYSA-N -1 1 282.296 1.196 20 0 CDADMM COC1([C@@H](C(=O)[O-])N2CCO[C@@H](C(C)(C)C)C2)CCC1 ZINC001606706834 1163964088 /nfs/dbraw/zinc/96/40/88/1163964088.db2.gz AEDMIRLDCUGJMC-VXGBXAGGSA-N -1 1 285.384 1.756 20 0 CDADMM O=C(NCC[C@@H]1CC=CCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606760555 1163986176 /nfs/dbraw/zinc/98/61/76/1163986176.db2.gz GVEIYIDDZSEUSH-LLVKDONJSA-N -1 1 298.350 1.738 20 0 CDADMM O=C(NCC[C@@H]1CC=CCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606760555 1163986183 /nfs/dbraw/zinc/98/61/83/1163986183.db2.gz GVEIYIDDZSEUSH-LLVKDONJSA-N -1 1 298.350 1.738 20 0 CDADMM CON(C(=O)c1cccc(F)c1O)[C@@H](C)CC(=O)[O-] ZINC001606987902 1164052788 /nfs/dbraw/zinc/05/27/88/1164052788.db2.gz OUKOTOFKUWXFEQ-ZETCQYMHSA-N -1 1 271.244 1.398 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@@H]1C(F)(F)F ZINC001607031051 1164065479 /nfs/dbraw/zinc/06/54/79/1164065479.db2.gz QZOWWRUNDMFKTL-SSDOTTSWSA-N -1 1 287.201 1.237 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@@H]1C(F)(F)F ZINC001607031051 1164065485 /nfs/dbraw/zinc/06/54/85/1164065485.db2.gz QZOWWRUNDMFKTL-SSDOTTSWSA-N -1 1 287.201 1.237 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@H]1c1cc[nH]n1 ZINC001607031045 1164065674 /nfs/dbraw/zinc/06/56/74/1164065674.db2.gz QXXXTBIMKVDDSH-JTQLQIEISA-N -1 1 299.294 1.160 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@H]1c1cc[nH]n1 ZINC001607031045 1164065683 /nfs/dbraw/zinc/06/56/83/1164065683.db2.gz QXXXTBIMKVDDSH-JTQLQIEISA-N -1 1 299.294 1.160 20 0 CDADMM O=c1c(-c2nn[n-]n2)cc2c(n1CCCCCF)CCC2 ZINC001607089344 1164075116 /nfs/dbraw/zinc/07/51/16/1164075116.db2.gz QDMXGVATWRKLNP-UHFFFAOYSA-N -1 1 291.330 1.657 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1CC[C@H](O)c1ccccc1 ZINC001607090493 1164075750 /nfs/dbraw/zinc/07/57/50/1164075750.db2.gz SEHCJYFJXHIJAR-ZDUSSCGKSA-N -1 1 297.318 1.152 20 0 CDADMM 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277.280 1.480 20 0 CDADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cnn(-c2ccccn2)c1C ZINC001569836333 1170013523 /nfs/dbraw/zinc/01/35/23/1170013523.db2.gz QTVWYUGZRMYUFE-UHFFFAOYSA-N -1 1 298.306 1.565 20 0 CDADMM CC(C)C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)NC(=O)[O-] ZINC001573502986 1170676051 /nfs/dbraw/zinc/67/60/51/1170676051.db2.gz SOSSEKMFYSHIEY-HBNTYKKESA-N -1 1 294.355 1.312 20 0 CDADMM CCc1nocc1C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC001573844744 1170800597 /nfs/dbraw/zinc/80/05/97/1170800597.db2.gz MWOFFFYXMKOCGS-RKDXNWHRSA-N -1 1 292.257 1.932 20 0 CDADMM CCc1nocc1CN1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC001573844744 1170800603 /nfs/dbraw/zinc/80/06/03/1170800603.db2.gz MWOFFFYXMKOCGS-RKDXNWHRSA-N -1 1 292.257 1.932 20 0 CDADMM CN(C(=O)[O-])c1ccc(NC(=O)Cc2nnc[nH]2)cc1 ZINC001573856473 1170806556 /nfs/dbraw/zinc/80/65/56/1170806556.db2.gz NVIHYQGPABLHAA-UHFFFAOYSA-N -1 1 275.268 1.100 20 0 CDADMM Cc1nc(CCC(=O)[O-])cc(N[C@@H](C)c2nnc[nH]2)n1 ZINC001574186936 1170910420 /nfs/dbraw/zinc/91/04/20/1170910420.db2.gz CGFYZHLZWFBZEQ-ZETCQYMHSA-N -1 1 276.300 1.093 20 0 CDADMM O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)c1cccc(F)c1O ZINC001574398965 1170971117 /nfs/dbraw/zinc/97/11/17/1170971117.db2.gz OPJKUMNGHVVVNA-RNSXUZJQSA-N -1 1 279.267 1.609 20 0 CDADMM O=C([O-])c1csc(CCN[C@@H]2CCn3ccnc32)n1 ZINC001574422563 1170976673 /nfs/dbraw/zinc/97/66/73/1170976673.db2.gz GTDHFDFWFMWGFH-MRVPVSSYSA-N -1 1 278.337 1.315 20 0 CDADMM O=C(NCc1ccc2oc(=O)[nH]c2c1)c1ncccc1[O-] ZINC001651480072 1171327181 /nfs/dbraw/zinc/32/71/81/1171327181.db2.gz WSZUSFNVMGUFNA-UHFFFAOYSA-N -1 1 285.259 1.564 20 0 CDADMM CCCc1ccccc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001577739577 1171730610 /nfs/dbraw/zinc/73/06/10/1171730610.db2.gz RSKGQSTVXVASRN-UHFFFAOYSA-N -1 1 297.322 1.795 20 0 CDADMM CCCc1ccccc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001577739577 1171730618 /nfs/dbraw/zinc/73/06/18/1171730618.db2.gz RSKGQSTVXVASRN-UHFFFAOYSA-N -1 1 297.322 1.795 20 0 CDADMM COc1ccc(NC(=O)C2=C([O-])C(C)N=N2)cc1N ZINC001579227744 1172119422 /nfs/dbraw/zinc/11/94/22/1172119422.db2.gz CXYSRDPYLVHPCA-UHFFFAOYSA-N -1 1 262.269 1.267 20 0 CDADMM CSCCCC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001580226133 1172377903 /nfs/dbraw/zinc/37/79/03/1172377903.db2.gz QTVFCPCQFATJMR-UHFFFAOYSA-N -1 1 297.409 1.688 20 0 CDADMM Cc1cc(C)nc(COc2cnc(-c3nn[n-]n3)nc2)c1 ZINC001580913380 1172569635 /nfs/dbraw/zinc/56/96/35/1172569635.db2.gz RIKYTGKXDXXOKB-UHFFFAOYSA-N -1 1 283.295 1.248 20 0 CDADMM O=C(C[C@@H]1C=CCC1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001581966423 1172636380 /nfs/dbraw/zinc/63/63/80/1172636380.db2.gz WCQQOVFQJBWEGX-SECBINFHSA-N -1 1 289.364 1.901 20 0 CDADMM C=C/C=C/CCNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001588530653 1173078878 /nfs/dbraw/zinc/07/88/78/1173078878.db2.gz RSNZAMAFGCTDQW-ONEGZZNKSA-N -1 1 270.296 1.124 20 0 CDADMM C=C/C=C/CCNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001588530653 1173078883 /nfs/dbraw/zinc/07/88/83/1173078883.db2.gz RSNZAMAFGCTDQW-ONEGZZNKSA-N -1 1 270.296 1.124 20 0 CDADMM CC(=O)Nc1ccc(Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001588879330 1173111361 /nfs/dbraw/zinc/11/13/61/1173111361.db2.gz VWPXRXBRSDZCLC-UHFFFAOYSA-N -1 1 296.294 1.359 20 0 CDADMM CC(=O)Nc1ccc(Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001588879330 1173111367 /nfs/dbraw/zinc/11/13/67/1173111367.db2.gz VWPXRXBRSDZCLC-UHFFFAOYSA-N -1 1 296.294 1.359 20 0 CDADMM C[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)o1)C1CCC1 ZINC001589030995 1173120440 /nfs/dbraw/zinc/12/04/40/1173120440.db2.gz RLDDBHJNDZUEBN-MRVPVSSYSA-N -1 1 276.296 1.939 20 0 CDADMM C[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)o1)C1CCC1 ZINC001589030995 1173120444 /nfs/dbraw/zinc/12/04/44/1173120444.db2.gz RLDDBHJNDZUEBN-MRVPVSSYSA-N -1 1 276.296 1.939 20 0 CDADMM CC(C)C(C)(C)CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589425384 1173144181 /nfs/dbraw/zinc/14/41/81/1173144181.db2.gz POQVFRQYJKSNDV-UHFFFAOYSA-N -1 1 288.355 1.674 20 0 CDADMM CC(C)C(C)(C)CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589425384 1173144184 /nfs/dbraw/zinc/14/41/84/1173144184.db2.gz POQVFRQYJKSNDV-UHFFFAOYSA-N -1 1 288.355 1.674 20 0 CDADMM CC(C)[C@H]1C[C@@H]1COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589502683 1173150931 /nfs/dbraw/zinc/15/09/31/1173150931.db2.gz PWBDEGFDKBEPSN-NXEZZACHSA-N -1 1 287.323 1.711 20 0 CDADMM CC(C)[C@H]1C[C@@H]1COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589502683 1173150935 /nfs/dbraw/zinc/15/09/35/1173150935.db2.gz PWBDEGFDKBEPSN-NXEZZACHSA-N -1 1 287.323 1.711 20 0 CDADMM CC(C)OC(=O)COC(=O)c1sccc1-c1nn[n-]n1 ZINC001589733150 1173171675 /nfs/dbraw/zinc/17/16/75/1173171675.db2.gz GEXOVJLGHSFHIG-UHFFFAOYSA-N -1 1 296.308 1.037 20 0 CDADMM C[C@H](CC(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccco1 ZINC001589796642 1173184869 /nfs/dbraw/zinc/18/48/69/1173184869.db2.gz XQVGGTIJNVIQGS-SSDOTTSWSA-N -1 1 287.283 1.072 20 0 CDADMM C[C@H](CNc1ccnc(-c2nnn[n-]2)c1)c1ccccn1 ZINC001589879224 1173193760 /nfs/dbraw/zinc/19/37/60/1173193760.db2.gz QUCNOVIHNAXHJE-SNVBAGLBSA-N -1 1 281.323 1.294 20 0 CDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)c1)c1ccccn1 ZINC001589879224 1173193765 /nfs/dbraw/zinc/19/37/65/1173193765.db2.gz QUCNOVIHNAXHJE-SNVBAGLBSA-N -1 1 281.323 1.294 20 0 CDADMM C[C@H](Cc1ccncc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589901848 1173197559 /nfs/dbraw/zinc/19/75/59/1173197559.db2.gz GCHLHADURZTKHP-SECBINFHSA-N -1 1 282.311 1.095 20 0 CDADMM C[C@H](Cc1ccncc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589901848 1173197562 /nfs/dbraw/zinc/19/75/62/1173197562.db2.gz GCHLHADURZTKHP-SECBINFHSA-N -1 1 282.311 1.095 20 0 CDADMM C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccc[nH]1 ZINC001589926629 1173206635 /nfs/dbraw/zinc/20/66/35/1173206635.db2.gz VMSXALHLPAKTTE-SECBINFHSA-N -1 1 297.322 1.010 20 0 CDADMM C[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccc[nH]1 ZINC001589926629 1173206644 /nfs/dbraw/zinc/20/66/44/1173206644.db2.gz VMSXALHLPAKTTE-SECBINFHSA-N -1 1 297.322 1.010 20 0 CDADMM C[C@H](O)[C@H](C)Sc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589994085 1173223911 /nfs/dbraw/zinc/22/39/11/1173223911.db2.gz DGOGEVMFBKQAOV-IMJSIDKUSA-N -1 1 291.789 1.838 20 0 CDADMM C[C@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ccc[nH]1 ZINC001589981854 1173221969 /nfs/dbraw/zinc/22/19/69/1173221969.db2.gz USKQRIYTOHATFY-ZETCQYMHSA-N -1 1 256.273 1.158 20 0 CDADMM C[C@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ccc[nH]1 ZINC001589981854 1173221973 /nfs/dbraw/zinc/22/19/73/1173221973.db2.gz USKQRIYTOHATFY-ZETCQYMHSA-N -1 1 256.273 1.158 20 0 CDADMM CC1(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC=CC1 ZINC001590071983 1173246982 /nfs/dbraw/zinc/24/69/82/1173246982.db2.gz ARLPYWKJYHAIPB-UHFFFAOYSA-N -1 1 285.307 1.661 20 0 CDADMM CC1(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC=CC1 ZINC001590071983 1173246988 /nfs/dbraw/zinc/24/69/88/1173246988.db2.gz ARLPYWKJYHAIPB-UHFFFAOYSA-N -1 1 285.307 1.661 20 0 CDADMM CC1(C)C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCS1 ZINC001590084176 1173249064 /nfs/dbraw/zinc/24/90/64/1173249064.db2.gz XNMGWPRWYXIOLZ-MRVPVSSYSA-N -1 1 291.384 1.743 20 0 CDADMM CC1(C)C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCS1 ZINC001590084176 1173249076 /nfs/dbraw/zinc/24/90/76/1173249076.db2.gz XNMGWPRWYXIOLZ-MRVPVSSYSA-N -1 1 291.384 1.743 20 0 CDADMM CC1(C)C[C@@H]1CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590087862 1173251395 /nfs/dbraw/zinc/25/13/95/1173251395.db2.gz MTKSDTIVKNRGDS-MRVPVSSYSA-N -1 1 289.314 1.782 20 0 CDADMM CC1(C)C[C@@H]1CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590087862 1173251399 /nfs/dbraw/zinc/25/13/99/1173251399.db2.gz MTKSDTIVKNRGDS-MRVPVSSYSA-N -1 1 289.314 1.782 20 0 CDADMM CC1(C)CC[C@H](Cn2ccnc2-c2nnn[n-]2)OC1 ZINC001590090338 1173255176 /nfs/dbraw/zinc/25/51/76/1173255176.db2.gz JMAMEWOCEZIJCL-SECBINFHSA-N -1 1 262.317 1.268 20 0 CDADMM CC1(C)CC[C@H](Cn2ccnc2-c2nn[n-]n2)OC1 ZINC001590090338 1173255179 /nfs/dbraw/zinc/25/51/79/1173255179.db2.gz JMAMEWOCEZIJCL-SECBINFHSA-N -1 1 262.317 1.268 20 0 CDADMM CC1(C)CO[C@@H](CNc2cccnc2-c2nnn[n-]2)C1 ZINC001590111105 1173258545 /nfs/dbraw/zinc/25/85/45/1173258545.db2.gz OACHPAROENABSN-SECBINFHSA-N -1 1 274.328 1.489 20 0 CDADMM CC1(C)CO[C@@H](CNc2cccnc2-c2nn[n-]n2)C1 ZINC001590111105 1173258552 /nfs/dbraw/zinc/25/85/52/1173258552.db2.gz OACHPAROENABSN-SECBINFHSA-N -1 1 274.328 1.489 20 0 CDADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)CC(C)(C)C1 ZINC001590109784 1173258804 /nfs/dbraw/zinc/25/88/04/1173258804.db2.gz QPRFSHFKETZJJM-UHFFFAOYSA-N -1 1 287.371 1.919 20 0 CDADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)CC(C)(C)C1 ZINC001590109784 1173258813 /nfs/dbraw/zinc/25/88/13/1173258813.db2.gz QPRFSHFKETZJJM-UHFFFAOYSA-N -1 1 287.371 1.919 20 0 CDADMM CC1(CCOC(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001590127916 1173264132 /nfs/dbraw/zinc/26/41/32/1173264132.db2.gz RLSNJZGUZFVPDZ-UHFFFAOYSA-N -1 1 262.269 1.807 20 0 CDADMM CC1(CCOC(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001590127916 1173264140 /nfs/dbraw/zinc/26/41/40/1173264140.db2.gz RLSNJZGUZFVPDZ-UHFFFAOYSA-N -1 1 262.269 1.807 20 0 CDADMM C[C@@]1(CNc2ccnc(-c3nnn[n-]3)c2)CCCCO1 ZINC001590136107 1173268816 /nfs/dbraw/zinc/26/88/16/1173268816.db2.gz QWTLQLBQYZXQRO-ZDUSSCGKSA-N -1 1 274.328 1.055 20 0 CDADMM C[C@@]1(CNc2ccnc(-c3nn[n-]n3)c2)CCCCO1 ZINC001590136107 1173268821 /nfs/dbraw/zinc/26/88/21/1173268821.db2.gz QWTLQLBQYZXQRO-ZDUSSCGKSA-N -1 1 274.328 1.055 20 0 CDADMM CC1(F)CN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC001590141919 1173270652 /nfs/dbraw/zinc/27/06/52/1173270652.db2.gz PQMCXNXQTWAMLT-UHFFFAOYSA-N -1 1 285.286 1.358 20 0 CDADMM CC1(F)CN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001590141919 1173270656 /nfs/dbraw/zinc/27/06/56/1173270656.db2.gz PQMCXNXQTWAMLT-UHFFFAOYSA-N -1 1 285.286 1.358 20 0 CDADMM CC1(NS(=O)(=O)c2ccsc2-c2nn[n-]n2)CCC1 ZINC001590149157 1173272606 /nfs/dbraw/zinc/27/26/06/1173272606.db2.gz CVMBECPKUWUATP-UHFFFAOYSA-N -1 1 299.381 1.149 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(C)=C(C)C2)n1 ZINC001590158136 1173276804 /nfs/dbraw/zinc/27/68/04/1173276804.db2.gz VRRHDAJWIWIGOG-UHFFFAOYSA-N -1 1 271.328 1.512 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(C)=C(C)C2)n1 ZINC001590158136 1173276807 /nfs/dbraw/zinc/27/68/07/1173276807.db2.gz VRRHDAJWIWIGOG-UHFFFAOYSA-N -1 1 271.328 1.512 20 0 CDADMM C[C@@H]1C[C@H](Nc2cccnc2-c2nnn[n-]2)[C@H](C)O1 ZINC001590207498 1173293188 /nfs/dbraw/zinc/29/31/88/1173293188.db2.gz GBQJNKMCJIPNKW-WEDXCCLWSA-N -1 1 260.301 1.240 20 0 CDADMM C[C@@H]1C[C@H](Nc2cccnc2-c2nn[n-]n2)[C@H](C)O1 ZINC001590207498 1173293197 /nfs/dbraw/zinc/29/31/97/1173293197.db2.gz GBQJNKMCJIPNKW-WEDXCCLWSA-N -1 1 260.301 1.240 20 0 CDADMM C[C@@H]1CC[C@H](Nc2ncncc2-c2nn[n-]n2)C[C@@H]1C ZINC001590241342 1173315226 /nfs/dbraw/zinc/31/52/26/1173315226.db2.gz WATCYWSBPQBCPK-UTLUCORTSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@H]1CCC[C@@H](OC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590249066 1173319280 /nfs/dbraw/zinc/31/92/80/1173319280.db2.gz ANMYURSYGKPVTO-VHSXEESVSA-N -1 1 287.323 1.997 20 0 CDADMM C[C@H]1CCC[C@@H](OC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590249066 1173319284 /nfs/dbraw/zinc/31/92/84/1173319284.db2.gz ANMYURSYGKPVTO-VHSXEESVSA-N -1 1 287.323 1.997 20 0 CDADMM C[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590261618 1173328468 /nfs/dbraw/zinc/32/84/68/1173328468.db2.gz PYJANUHYQGYDLN-JTQLQIEISA-N -1 1 258.329 1.888 20 0 CDADMM C[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590261618 1173328474 /nfs/dbraw/zinc/32/84/74/1173328474.db2.gz PYJANUHYQGYDLN-JTQLQIEISA-N -1 1 258.329 1.888 20 0 CDADMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)ncn2)[C@@H]1c1ccccc1 ZINC001590313604 1173350268 /nfs/dbraw/zinc/35/02/68/1173350268.db2.gz OCONUTZCBRXDBZ-YGRLFVJLSA-N -1 1 293.334 1.854 20 0 CDADMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)ncn2)[C@@H]1c1ccccc1 ZINC001590313604 1173350275 /nfs/dbraw/zinc/35/02/75/1173350275.db2.gz OCONUTZCBRXDBZ-YGRLFVJLSA-N -1 1 293.334 1.854 20 0 CDADMM C[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)[C@@H]1C ZINC001590321465 1173354230 /nfs/dbraw/zinc/35/42/30/1173354230.db2.gz VJQNGOJEJNRVJJ-RFZPGFLSSA-N -1 1 270.749 1.821 20 0 CDADMM C[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)[C@@H]1C ZINC001590321465 1173354238 /nfs/dbraw/zinc/35/42/38/1173354238.db2.gz VJQNGOJEJNRVJJ-RFZPGFLSSA-N -1 1 270.749 1.821 20 0 CDADMM CCC(C)(C)CC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001590375841 1173381300 /nfs/dbraw/zinc/38/13/00/1173381300.db2.gz VAACQMWWHLSSKW-UHFFFAOYSA-N -1 1 288.355 1.704 20 0 CDADMM CCC(C)(C)CC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001590375841 1173381305 /nfs/dbraw/zinc/38/13/05/1173381305.db2.gz VAACQMWWHLSSKW-UHFFFAOYSA-N -1 1 288.355 1.704 20 0 CDADMM CCC1(CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001590491885 1173434460 /nfs/dbraw/zinc/43/44/60/1173434460.db2.gz ARRLLOCNHTUOHO-UHFFFAOYSA-N -1 1 286.339 1.111 20 0 CDADMM CCC1(CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001590491885 1173434466 /nfs/dbraw/zinc/43/44/66/1173434466.db2.gz ARRLLOCNHTUOHO-UHFFFAOYSA-N -1 1 286.339 1.111 20 0 CDADMM CC[C@]1(C)CN(c2nc(-c3nnn[n-]3)ccc2C)CCO1 ZINC001590490781 1173435233 /nfs/dbraw/zinc/43/52/33/1173435233.db2.gz TVLGGUOKHWAQSH-CQSZACIVSA-N -1 1 288.355 1.575 20 0 CDADMM CC[C@]1(C)CN(c2nc(-c3nn[n-]n3)ccc2C)CCO1 ZINC001590490781 1173435235 /nfs/dbraw/zinc/43/52/35/1173435235.db2.gz TVLGGUOKHWAQSH-CQSZACIVSA-N -1 1 288.355 1.575 20 0 CDADMM CC[C@@H]1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001590506815 1173439413 /nfs/dbraw/zinc/43/94/13/1173439413.db2.gz HRGBTKMDEIJDBY-ZJUUUORDSA-N -1 1 273.344 1.895 20 0 CDADMM CC[C@@H]1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001590506815 1173439424 /nfs/dbraw/zinc/43/94/24/1173439424.db2.gz HRGBTKMDEIJDBY-ZJUUUORDSA-N -1 1 273.344 1.895 20 0 CDADMM CC[C@H]1C[C@H](OC(=O)c2coc(-c3nnn[n-]3)c2)CCO1 ZINC001590503829 1173440632 /nfs/dbraw/zinc/44/06/32/1173440632.db2.gz BUNXRUQYVQYGCD-VHSXEESVSA-N -1 1 292.295 1.574 20 0 CDADMM CC[C@H]1C[C@H](OC(=O)c2coc(-c3nn[n-]n3)c2)CCO1 ZINC001590503829 1173440640 /nfs/dbraw/zinc/44/06/40/1173440640.db2.gz BUNXRUQYVQYGCD-VHSXEESVSA-N -1 1 292.295 1.574 20 0 CDADMM CC[C@@H]1CN(c2ccc(C)c(-c3nnn[n-]3)n2)CCCO1 ZINC001590523373 1173451556 /nfs/dbraw/zinc/45/15/56/1173451556.db2.gz XCZFQJIRSJGJBE-LLVKDONJSA-N -1 1 288.355 1.575 20 0 CDADMM CC[C@@H]1CN(c2ccc(C)c(-c3nn[n-]n3)n2)CCCO1 ZINC001590523373 1173451559 /nfs/dbraw/zinc/45/15/59/1173451559.db2.gz XCZFQJIRSJGJBE-LLVKDONJSA-N -1 1 288.355 1.575 20 0 CDADMM CCCC1(CNc2cc(-c3nnn[n-]3)nc(C)n2)CC1 ZINC001590565708 1173466989 /nfs/dbraw/zinc/46/69/89/1173466989.db2.gz QYVWMQYJUMRDJE-UHFFFAOYSA-N -1 1 273.344 1.957 20 0 CDADMM CCCC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001590582818 1173468181 /nfs/dbraw/zinc/46/81/81/1173468181.db2.gz WODCOBBTCBWUBU-LLVKDONJSA-N -1 1 287.371 1.849 20 0 CDADMM CCCc1nc(COc2cccnc2-c2nnn[n-]2)no1 ZINC001590661482 1173483111 /nfs/dbraw/zinc/48/31/11/1173483111.db2.gz GKGQAZHXAFOCOW-UHFFFAOYSA-N -1 1 287.283 1.176 20 0 CDADMM CCCc1nc(COc2cccnc2-c2nn[n-]n2)no1 ZINC001590661482 1173483116 /nfs/dbraw/zinc/48/31/16/1173483116.db2.gz GKGQAZHXAFOCOW-UHFFFAOYSA-N -1 1 287.283 1.176 20 0 CDADMM CCN(C)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001590676606 1173486943 /nfs/dbraw/zinc/48/69/43/1173486943.db2.gz JQMSPCNKFKGZJP-UHFFFAOYSA-N -1 1 267.318 1.115 20 0 CDADMM CCN(C)C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590676606 1173486948 /nfs/dbraw/zinc/48/69/48/1173486948.db2.gz JQMSPCNKFKGZJP-UHFFFAOYSA-N -1 1 267.318 1.115 20 0 CDADMM CCN(Cc1ccccc1F)c1cc(-c2nnn[n-]2)ncn1 ZINC001590721106 1173499505 /nfs/dbraw/zinc/49/95/05/1173499505.db2.gz QLWSNBKLORRCHU-UHFFFAOYSA-N -1 1 299.313 1.822 20 0 CDADMM CCN(Cc1ccccc1F)c1cc(-c2nn[n-]n2)ncn1 ZINC001590721106 1173499508 /nfs/dbraw/zinc/49/95/08/1173499508.db2.gz QLWSNBKLORRCHU-UHFFFAOYSA-N -1 1 299.313 1.822 20 0 CDADMM CCO[C@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001590823525 1173525657 /nfs/dbraw/zinc/52/56/57/1173525657.db2.gz WNWKKPSIFKRKCH-QMMMGPOBSA-N -1 1 294.746 1.530 20 0 CDADMM CCO[C@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001590823525 1173525662 /nfs/dbraw/zinc/52/56/62/1173525662.db2.gz WNWKKPSIFKRKCH-QMMMGPOBSA-N -1 1 294.746 1.530 20 0 CDADMM CC[C@@H](C)[C@@H]([NH2+]Cc1csc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001590856625 1173528895 /nfs/dbraw/zinc/52/88/95/1173528895.db2.gz JZYWPBJBEPCBQP-GMSGAONNSA-N -1 1 295.368 1.517 20 0 CDADMM CCc1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)nc(C)n1 ZINC001590883731 1173536592 /nfs/dbraw/zinc/53/65/92/1173536592.db2.gz NSKGFSIOTWFCGO-UHFFFAOYSA-N -1 1 299.294 1.373 20 0 CDADMM CCc1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)nc(C)n1 ZINC001590883731 1173536596 /nfs/dbraw/zinc/53/65/96/1173536596.db2.gz NSKGFSIOTWFCGO-UHFFFAOYSA-N -1 1 299.294 1.373 20 0 CDADMM CCc1cc(NC(=O)c2csc(-c3nn[n-]n3)c2)n[nH]1 ZINC001590883708 1173536908 /nfs/dbraw/zinc/53/69/08/1173536908.db2.gz MDEAVKUFCHGDQN-UHFFFAOYSA-N -1 1 289.324 1.466 20 0 CDADMM CCc1noc(C)c1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001590934549 1173546037 /nfs/dbraw/zinc/54/60/37/1173546037.db2.gz PRQNWGODZVEQCR-UHFFFAOYSA-N -1 1 285.311 1.155 20 0 CDADMM CCc1noc(C)c1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001590934549 1173546039 /nfs/dbraw/zinc/54/60/39/1173546039.db2.gz PRQNWGODZVEQCR-UHFFFAOYSA-N -1 1 285.311 1.155 20 0 CDADMM CCn1cnnc1NCc1ccc(-c2nn[n-]n2)s1 ZINC001590963034 1173553566 /nfs/dbraw/zinc/55/35/66/1173553566.db2.gz IZXRITMQONBXEZ-UHFFFAOYSA-N -1 1 276.329 1.152 20 0 CDADMM CNC(=O)c1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC001591213271 1173593103 /nfs/dbraw/zinc/59/31/03/1173593103.db2.gz DBPNSGDFQBVWPR-UHFFFAOYSA-N -1 1 298.306 1.431 20 0 CDADMM CNC(=O)c1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC001591213271 1173593108 /nfs/dbraw/zinc/59/31/08/1173593108.db2.gz DBPNSGDFQBVWPR-UHFFFAOYSA-N -1 1 298.306 1.431 20 0 CDADMM CO[C@@H](CNc1ncncc1-c1nn[n-]n1)C(C)(C)C ZINC001591336801 1173618151 /nfs/dbraw/zinc/61/81/51/1173618151.db2.gz ZZJTXUOQCRQUIF-VIFPVBQESA-N -1 1 277.332 1.130 20 0 CDADMM CO[C@H]1CCCN(c2cc(C)nc(-c3nnn[n-]3)c2)CC1 ZINC001591355511 1173626479 /nfs/dbraw/zinc/62/64/79/1173626479.db2.gz ZYDQKKGUEHBZQB-LBPRGKRZSA-N -1 1 288.355 1.575 20 0 CDADMM CO[C@H]1CCCN(c2cc(C)nc(-c3nn[n-]n3)c2)CC1 ZINC001591355511 1173626488 /nfs/dbraw/zinc/62/64/88/1173626488.db2.gz ZYDQKKGUEHBZQB-LBPRGKRZSA-N -1 1 288.355 1.575 20 0 CDADMM CO[C@@H]1CN(c2ccc(C)nc2-c2nnn[n-]2)CC[C@H]1C ZINC001591359624 1173627119 /nfs/dbraw/zinc/62/71/19/1173627119.db2.gz DVOUUQAAMWGTKP-BXKDBHETSA-N -1 1 288.355 1.431 20 0 CDADMM CO[C@@H]1CN(c2ccc(C)nc2-c2nn[n-]n2)CC[C@H]1C ZINC001591359624 1173627122 /nfs/dbraw/zinc/62/71/22/1173627122.db2.gz DVOUUQAAMWGTKP-BXKDBHETSA-N -1 1 288.355 1.431 20 0 CDADMM CO[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)CC[C@@H]1C ZINC001591358989 1173627280 /nfs/dbraw/zinc/62/72/80/1173627280.db2.gz BPKFIFVPWFTOLW-IONNQARKSA-N -1 1 294.384 1.493 20 0 CDADMM COCC(C)(C)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591368605 1173630782 /nfs/dbraw/zinc/63/07/82/1173630782.db2.gz AXPYBABAGQVUBO-UHFFFAOYSA-N -1 1 295.368 1.425 20 0 CDADMM COCC(C)(C)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591368605 1173630788 /nfs/dbraw/zinc/63/07/88/1173630788.db2.gz AXPYBABAGQVUBO-UHFFFAOYSA-N -1 1 295.368 1.425 20 0 CDADMM C[C@H](O)CSc1snc(Cl)c1-c1nnn[n-]1 ZINC001591770731 1173699221 /nfs/dbraw/zinc/69/92/21/1173699221.db2.gz ROTDONSGNASGLD-VKHMYHEASA-N -1 1 277.762 1.450 20 0 CDADMM C[C@H](O)CSc1snc(Cl)c1-c1nn[n-]n1 ZINC001591770731 1173699223 /nfs/dbraw/zinc/69/92/23/1173699223.db2.gz ROTDONSGNASGLD-VKHMYHEASA-N -1 1 277.762 1.450 20 0 CDADMM Cc1c([C@@H]2C[C@H]2Nc2cccc(-c3nnn[n-]3)n2)cnn1C ZINC001591830525 1173713251 /nfs/dbraw/zinc/71/32/51/1173713251.db2.gz QOQYTZOAICMERW-JOYOIKCWSA-N -1 1 296.338 1.272 20 0 CDADMM Cc1c([C@@H]2C[C@H]2Nc2cccc(-c3nn[n-]n3)n2)cnn1C ZINC001591830525 1173713254 /nfs/dbraw/zinc/71/32/54/1173713254.db2.gz QOQYTZOAICMERW-JOYOIKCWSA-N -1 1 296.338 1.272 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCC(F)(F)F)n1 ZINC001591883259 1173734960 /nfs/dbraw/zinc/73/49/60/1173734960.db2.gz GBLRDMAQERZLBK-UHFFFAOYSA-N -1 1 287.249 1.354 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCC(F)(F)F)n1 ZINC001591883259 1173734962 /nfs/dbraw/zinc/73/49/62/1173734962.db2.gz GBLRDMAQERZLBK-UHFFFAOYSA-N -1 1 287.249 1.354 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(C(F)F)CC2)n1 ZINC001591885570 1173739796 /nfs/dbraw/zinc/73/97/96/1173739796.db2.gz TVPSEYHVQATYRG-UHFFFAOYSA-N -1 1 295.297 1.447 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(C(F)F)CC2)n1 ZINC001591885570 1173739804 /nfs/dbraw/zinc/73/98/04/1173739804.db2.gz TVPSEYHVQATYRG-UHFFFAOYSA-N -1 1 295.297 1.447 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NCCc2ccncc2)n1 ZINC001591899793 1173743192 /nfs/dbraw/zinc/74/31/92/1173743192.db2.gz YJEHZMDLNQYIRH-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NCCc2ccncc2)n1 ZINC001591899793 1173743195 /nfs/dbraw/zinc/74/31/95/1173743195.db2.gz YJEHZMDLNQYIRH-UHFFFAOYSA-N -1 1 282.311 1.015 20 0 CDADMM Cc1cc(N[C@H](C)c2cnn(C)c2)nc(-c2nnn[n-]2)c1 ZINC001592034820 1173778811 /nfs/dbraw/zinc/77/88/11/1173778811.db2.gz NXSRYOKBUDNPQX-SECBINFHSA-N -1 1 284.327 1.477 20 0 CDADMM Cc1cc(N[C@H](C)c2cnn(C)c2)nc(-c2nn[n-]n2)c1 ZINC001592034820 1173778815 /nfs/dbraw/zinc/77/88/15/1173778815.db2.gz NXSRYOKBUDNPQX-SECBINFHSA-N -1 1 284.327 1.477 20 0 CDADMM Cc1cc(NC[C@H]2CCCCO2)nc(-c2nnn[n-]2)c1 ZINC001592044836 1173783792 /nfs/dbraw/zinc/78/37/92/1173783792.db2.gz YFOMODZYSWMJNH-SNVBAGLBSA-N -1 1 274.328 1.551 20 0 CDADMM Cc1cc(NC[C@H]2CCCCO2)nc(-c2nn[n-]n2)c1 ZINC001592044836 1173783796 /nfs/dbraw/zinc/78/37/96/1173783796.db2.gz YFOMODZYSWMJNH-SNVBAGLBSA-N -1 1 274.328 1.551 20 0 CDADMM Cc1cc(NC[C@H]2CCC=CO2)cc(-c2nnn[n-]2)n1 ZINC001592043734 1173784350 /nfs/dbraw/zinc/78/43/50/1173784350.db2.gz KEYQVBYETCMHLI-LLVKDONJSA-N -1 1 272.312 1.675 20 0 CDADMM Cc1cc(NCC2(C)COC2)cc(-c2nnn[n-]2)n1 ZINC001592042611 1173785139 /nfs/dbraw/zinc/78/51/39/1173785139.db2.gz KKQUGYSXKMUZLK-UHFFFAOYSA-N -1 1 260.301 1.019 20 0 CDADMM Cc1cc(NCC2(C)COC2)cc(-c2nn[n-]n2)n1 ZINC001592042611 1173785144 /nfs/dbraw/zinc/78/51/44/1173785144.db2.gz KKQUGYSXKMUZLK-UHFFFAOYSA-N -1 1 260.301 1.019 20 0 CDADMM Cc1n[nH]cc1CCCNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001592048876 1173786940 /nfs/dbraw/zinc/78/69/40/1173786940.db2.gz RSSSROHIAMJMGE-UHFFFAOYSA-N -1 1 298.354 1.646 20 0 CDADMM Cc1cc(Oc2ccnc(-c3nn[n-]n3)n2)ccc1F ZINC001592062321 1173791434 /nfs/dbraw/zinc/79/14/34/1173791434.db2.gz CFKIJCPUOGQHCM-UHFFFAOYSA-N -1 1 272.243 1.897 20 0 CDADMM Cc1ccc(N(C)C(=O)c2coc(-c3nnn[n-]3)c2)nc1 ZINC001592176578 1173823043 /nfs/dbraw/zinc/82/30/43/1173823043.db2.gz VRYCHALDZQLLDC-UHFFFAOYSA-N -1 1 284.279 1.440 20 0 CDADMM Cc1ccc(N(C)C(=O)c2coc(-c3nn[n-]n3)c2)nc1 ZINC001592176578 1173823045 /nfs/dbraw/zinc/82/30/45/1173823045.db2.gz VRYCHALDZQLLDC-UHFFFAOYSA-N -1 1 284.279 1.440 20 0 CDADMM Cc1ccc(NCC2(O)CCCCC2)nc1-c1nnn[n-]1 ZINC001592182840 1173825484 /nfs/dbraw/zinc/82/54/84/1173825484.db2.gz BLBFKAYBLZOTPJ-UHFFFAOYSA-N -1 1 288.355 1.677 20 0 CDADMM Cc1ccc(NCC2(O)CCCCC2)nc1-c1nn[n-]n1 ZINC001592182840 1173825487 /nfs/dbraw/zinc/82/54/87/1173825487.db2.gz BLBFKAYBLZOTPJ-UHFFFAOYSA-N -1 1 288.355 1.677 20 0 CDADMM Cc1ccc(N[C@H]2CCC[C@H]2CCO)nc1-c1nnn[n-]1 ZINC001592184313 1173829593 /nfs/dbraw/zinc/82/95/93/1173829593.db2.gz RBKNVOCFTBQDBR-QWRGUYRKSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1ccc(N[C@H]2CCC[C@H]2CCO)nc1-c1nn[n-]n1 ZINC001592184313 1173829596 /nfs/dbraw/zinc/82/95/96/1173829596.db2.gz RBKNVOCFTBQDBR-QWRGUYRKSA-N -1 1 288.355 1.533 20 0 CDADMM Cc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001592230837 1173835025 /nfs/dbraw/zinc/83/50/25/1173835025.db2.gz PDCJKSURJAQKAD-UHFFFAOYSA-N -1 1 283.291 1.698 20 0 CDADMM Cc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001592230837 1173835031 /nfs/dbraw/zinc/83/50/31/1173835031.db2.gz PDCJKSURJAQKAD-UHFFFAOYSA-N -1 1 283.291 1.698 20 0 CDADMM Cc1ccoc1CN(C)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001592282133 1173846439 /nfs/dbraw/zinc/84/64/39/1173846439.db2.gz MPUYWQQKIMWXEX-UHFFFAOYSA-N -1 1 298.306 1.435 20 0 CDADMM Cc1ccoc1CN(C)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001592282133 1173846444 /nfs/dbraw/zinc/84/64/44/1173846444.db2.gz MPUYWQQKIMWXEX-UHFFFAOYSA-N -1 1 298.306 1.435 20 0 CDADMM Cc1nc(NC[C@H]2CCOC[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001592387395 1173875381 /nfs/dbraw/zinc/87/53/81/1173875381.db2.gz LGVIXWCJJMZDAB-PSASIEDQSA-N -1 1 289.343 1.050 20 0 CDADMM Cc1nc(NC[C@H]2CCOC[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592387395 1173875389 /nfs/dbraw/zinc/87/53/89/1173875389.db2.gz LGVIXWCJJMZDAB-PSASIEDQSA-N -1 1 289.343 1.050 20 0 CDADMM Cc1nc(NCC2(C(C)C)CC2)cc(-c2nnn[n-]2)n1 ZINC001592386520 1173876172 /nfs/dbraw/zinc/87/61/72/1173876172.db2.gz VLLIXIBORBCWSC-UHFFFAOYSA-N -1 1 273.344 1.813 20 0 CDADMM Cc1nc(NCC2(C(C)C)CC2)cc(-c2nn[n-]n2)n1 ZINC001592386520 1173876178 /nfs/dbraw/zinc/87/61/78/1173876178.db2.gz VLLIXIBORBCWSC-UHFFFAOYSA-N -1 1 273.344 1.813 20 0 CDADMM Cc1nc(NCC2SCCS2)cc(-c2nnn[n-]2)n1 ZINC001592388195 1173878679 /nfs/dbraw/zinc/87/86/79/1173878679.db2.gz TWXXZHMGSBDBIU-UHFFFAOYSA-N -1 1 295.397 1.183 20 0 CDADMM Cc1nc(NCC2SCCS2)cc(-c2nn[n-]n2)n1 ZINC001592388195 1173878685 /nfs/dbraw/zinc/87/86/85/1173878685.db2.gz TWXXZHMGSBDBIU-UHFFFAOYSA-N -1 1 295.397 1.183 20 0 CDADMM Cc1ncccc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001592416922 1173885251 /nfs/dbraw/zinc/88/52/51/1173885251.db2.gz FJEDAJZWDVLNOU-UHFFFAOYSA-N -1 1 270.252 1.415 20 0 CDADMM Cc1ncccc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001592416922 1173885257 /nfs/dbraw/zinc/88/52/57/1173885257.db2.gz FJEDAJZWDVLNOU-UHFFFAOYSA-N -1 1 270.252 1.415 20 0 CDADMM Cc1nocc1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001592466498 1173897324 /nfs/dbraw/zinc/89/73/24/1173897324.db2.gz ZTMJDHNDWDWGOQ-UHFFFAOYSA-N -1 1 297.731 1.885 20 0 CDADMM Cc1nocc1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001592466498 1173897337 /nfs/dbraw/zinc/89/73/37/1173897337.db2.gz ZTMJDHNDWDWGOQ-UHFFFAOYSA-N -1 1 297.731 1.885 20 0 CDADMM Cc1nocc1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001592466351 1173897391 /nfs/dbraw/zinc/89/73/91/1173897391.db2.gz PWGOMWSTQYHHHA-UHFFFAOYSA-N -1 1 291.702 1.824 20 0 CDADMM Cc1nocc1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001592466351 1173897395 /nfs/dbraw/zinc/89/73/95/1173897395.db2.gz PWGOMWSTQYHHHA-UHFFFAOYSA-N -1 1 291.702 1.824 20 0 CDADMM FCCCCc1noc(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001592629616 1173937320 /nfs/dbraw/zinc/93/73/20/1173937320.db2.gz KLJURSGUTWJQNN-UHFFFAOYSA-N -1 1 289.274 1.604 20 0 CDADMM FCCCCc1noc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001592629616 1173937324 /nfs/dbraw/zinc/93/73/24/1173937324.db2.gz KLJURSGUTWJQNN-UHFFFAOYSA-N -1 1 289.274 1.604 20 0 CDADMM Fc1ccc2c(c1)CC[C@@H]2Nc1ccnc(-c2nn[n-]n2)n1 ZINC001592653396 1173954553 /nfs/dbraw/zinc/95/45/53/1173954553.db2.gz ZITYSVCUHUNHNZ-NSHDSACASA-N -1 1 297.297 1.317 20 0 CDADMM O=C(N[C@H]1CC12CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001592967384 1174007762 /nfs/dbraw/zinc/00/77/62/1174007762.db2.gz XDAJZWMYMWOKRS-NSHDSACASA-N -1 1 284.323 1.324 20 0 CDADMM O=C(N[C@H]1CC12CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001592967384 1174007771 /nfs/dbraw/zinc/00/77/71/1174007771.db2.gz XDAJZWMYMWOKRS-NSHDSACASA-N -1 1 284.323 1.324 20 0 CDADMM O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)c1csc(-c2nn[n-]n2)c1 ZINC001592973367 1174009600 /nfs/dbraw/zinc/00/96/00/1174009600.db2.gz UHJQIBMKFPHVEU-UJNFCWOMSA-N -1 1 289.364 1.847 20 0 CDADMM O=C(NOCCC1CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593169625 1174028858 /nfs/dbraw/zinc/02/88/58/1174028858.db2.gz ZZUUVPLHAJBGEE-UHFFFAOYSA-N -1 1 291.286 1.467 20 0 CDADMM O=C(NOCCC1CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593169625 1174028862 /nfs/dbraw/zinc/02/88/62/1174028862.db2.gz ZZUUVPLHAJBGEE-UHFFFAOYSA-N -1 1 291.286 1.467 20 0 CDADMM O=C(N[C@@H]1C[C@H]1C1CCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593179998 1174029801 /nfs/dbraw/zinc/02/98/01/1174029801.db2.gz INQUQDOOFDCOIB-WDEREUQCSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(N[C@@H]1C[C@H]1C1CCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593179998 1174029805 /nfs/dbraw/zinc/02/98/05/1174029805.db2.gz INQUQDOOFDCOIB-WDEREUQCSA-N -1 1 284.323 1.180 20 0 CDADMM O=C(Nc1c(O)cccc1F)c1coc(-c2nnn[n-]2)c1 ZINC001593198558 1174032475 /nfs/dbraw/zinc/03/24/75/1174032475.db2.gz HCAHXKVXNFGBIU-UHFFFAOYSA-N -1 1 289.226 1.557 20 0 CDADMM O=C(Nc1cccc2nonc21)c1coc(-c2nnn[n-]2)c1 ZINC001593250304 1174041358 /nfs/dbraw/zinc/04/13/58/1174041358.db2.gz ALGFHXLHXHYVSW-UHFFFAOYSA-N -1 1 297.234 1.248 20 0 CDADMM O=C(Nc1cccc2nonc21)c1coc(-c2nn[n-]n2)c1 ZINC001593250304 1174041367 /nfs/dbraw/zinc/04/13/67/1174041367.db2.gz ALGFHXLHXHYVSW-UHFFFAOYSA-N -1 1 297.234 1.248 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1C[C@@H]1C1CCCC1 ZINC001593261570 1174041682 /nfs/dbraw/zinc/04/16/82/1174041682.db2.gz WSIXITAIEYPROT-RKDXNWHRSA-N -1 1 287.327 1.355 20 0 CDADMM O=C(Nc1ccns1)c1csc(-c2nn[n-]n2)c1 ZINC001593257006 1174042159 /nfs/dbraw/zinc/04/21/59/1174042159.db2.gz LEBKMUKNBPJINT-UHFFFAOYSA-N -1 1 278.322 1.637 20 0 CDADMM O=C(OC[C@H]1CC1(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC001593285260 1174051127 /nfs/dbraw/zinc/05/11/27/1174051127.db2.gz RHZPVMYNPFCFGY-RXMQYKEDSA-N -1 1 286.263 1.740 20 0 CDADMM O=C(OC[C@H]1CC1(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC001593285260 1174051130 /nfs/dbraw/zinc/05/11/30/1174051130.db2.gz RHZPVMYNPFCFGY-RXMQYKEDSA-N -1 1 286.263 1.740 20 0 CDADMM O=C(OCC[C@@H]1CCCC1=O)c1ccc(-c2nn[n-]n2)o1 ZINC001593286736 1174055595 /nfs/dbraw/zinc/05/55/95/1174055595.db2.gz MHODPPYIWHXBPA-QMMMGPOBSA-N -1 1 290.279 1.376 20 0 CDADMM O=C(OCc1cncs1)c1cccc(-c2nnn[n-]2)n1 ZINC001593304432 1174059733 /nfs/dbraw/zinc/05/97/33/1174059733.db2.gz YVBVUVRYNOMQMU-UHFFFAOYSA-N -1 1 288.292 1.075 20 0 CDADMM O=C(OCc1cncs1)c1cccc(-c2nn[n-]n2)n1 ZINC001593304432 1174059737 /nfs/dbraw/zinc/05/97/37/1174059737.db2.gz YVBVUVRYNOMQMU-UHFFFAOYSA-N -1 1 288.292 1.075 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](C2CC2)C1 ZINC001593337091 1174066999 /nfs/dbraw/zinc/06/69/99/1174066999.db2.gz NSZMCTGGCJNOAO-GFCCVEGCSA-N -1 1 298.350 1.524 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](C2CC2)C1 ZINC001593337091 1174067001 /nfs/dbraw/zinc/06/70/01/1174067001.db2.gz NSZMCTGGCJNOAO-GFCCVEGCSA-N -1 1 298.350 1.524 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@H]1C1CCCC1 ZINC001593340269 1174067600 /nfs/dbraw/zinc/06/76/00/1174067600.db2.gz IPEGAPKOGNRTIB-JTQLQIEISA-N -1 1 287.323 1.864 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@H]1C1CCCC1 ZINC001593340269 1174067607 /nfs/dbraw/zinc/06/76/07/1174067607.db2.gz IPEGAPKOGNRTIB-JTQLQIEISA-N -1 1 287.323 1.864 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC(Cc2ccco2)C1 ZINC001593340449 1174069462 /nfs/dbraw/zinc/06/94/62/1174069462.db2.gz MKLGYEUBSUFBGM-UHFFFAOYSA-N -1 1 299.290 1.367 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC(Cc2ccco2)C1 ZINC001593340449 1174069470 /nfs/dbraw/zinc/06/94/70/1174069470.db2.gz MKLGYEUBSUFBGM-UHFFFAOYSA-N -1 1 299.290 1.367 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC001593368357 1174070739 /nfs/dbraw/zinc/07/07/39/1174070739.db2.gz ZIAASDWCRKVDKL-YPMHNXCESA-N -1 1 299.334 1.720 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC001593368357 1174070746 /nfs/dbraw/zinc/07/07/46/1174070746.db2.gz ZIAASDWCRKVDKL-YPMHNXCESA-N -1 1 299.334 1.720 20 0 CDADMM O=C1[N-]C(=O)C(=Cc2cccc(-c3nn[nH]n3)c2)S1 ZINC001593400907 1174077231 /nfs/dbraw/zinc/07/72/31/1174077231.db2.gz ADOGAZBMVYANGG-VMPITWQZSA-N -1 1 273.277 1.191 20 0 CDADMM O=c1ccn(Cc2ccc(-c3nnn[n-]3)o2)c2ccsc21 ZINC001593497627 1174091110 /nfs/dbraw/zinc/09/11/10/1174091110.db2.gz LYSOXENQLCECEQ-UHFFFAOYSA-N -1 1 299.315 1.884 20 0 CDADMM O=c1ccn(Cc2ccc(-c3nn[n-]n3)o2)c2ccsc21 ZINC001593497627 1174091114 /nfs/dbraw/zinc/09/11/14/1174091114.db2.gz LYSOXENQLCECEQ-UHFFFAOYSA-N -1 1 299.315 1.884 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001593550779 1174121807 /nfs/dbraw/zinc/12/18/07/1174121807.db2.gz AFMAFBQSHGMDAJ-YWVKMMECSA-N -1 1 287.327 1.026 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001593550779 1174121814 /nfs/dbraw/zinc/12/18/14/1174121814.db2.gz AFMAFBQSHGMDAJ-YWVKMMECSA-N -1 1 287.327 1.026 20 0 CDADMM c1[nH]nc(NCc2cccc3nsnc32)c1-c1nnn[n-]1 ZINC001593553441 1174126103 /nfs/dbraw/zinc/12/61/03/1174126103.db2.gz BUKBWBOBHZIBSG-UHFFFAOYSA-N -1 1 299.323 1.207 20 0 CDADMM c1[nH]nc(NCc2cccc3nsnc32)c1-c1nn[n-]n1 ZINC001593553441 1174126109 /nfs/dbraw/zinc/12/61/09/1174126109.db2.gz BUKBWBOBHZIBSG-UHFFFAOYSA-N -1 1 299.323 1.207 20 0 CDADMM c1cc(N2CC[C@H]([C@@H]3CCCO3)C2)cc(-c2nnn[n-]2)n1 ZINC001593557636 1174130316 /nfs/dbraw/zinc/13/03/16/1174130316.db2.gz PVKDJXDDFBMYGA-GWCFXTLKSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(N2CC[C@H]([C@@H]3CCCO3)C2)cc(-c2nn[n-]n2)n1 ZINC001593557636 1174130322 /nfs/dbraw/zinc/13/03/22/1174130322.db2.gz PVKDJXDDFBMYGA-GWCFXTLKSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)nc(-c2nn[n-]n2)n1 ZINC001593558686 1174133191 /nfs/dbraw/zinc/13/31/91/1174133191.db2.gz ORYQYJYNRWXWFS-OUAUKWLOSA-N -1 1 285.355 1.459 20 0 CDADMM c1ccc(OCCOc2cnc(-c3nn[n-]n3)nc2)cc1 ZINC001593576942 1174144181 /nfs/dbraw/zinc/14/41/81/1174144181.db2.gz VABJBNMLRZCLOV-UHFFFAOYSA-N -1 1 284.279 1.115 20 0 CDADMM c1cnc(N2CC3(C2)CCCC3)c(-c2nnn[n-]2)n1 ZINC001593583384 1174151352 /nfs/dbraw/zinc/15/13/52/1174151352.db2.gz ACWVKEZWYVHWII-UHFFFAOYSA-N -1 1 257.301 1.037 20 0 CDADMM c1cnc(N2CC3(C2)CCCC3)c(-c2nn[n-]n2)n1 ZINC001593583384 1174151357 /nfs/dbraw/zinc/15/13/57/1174151357.db2.gz ACWVKEZWYVHWII-UHFFFAOYSA-N -1 1 257.301 1.037 20 0 CDADMM c1cncc([C@H](Nc2ncncc2-c2nn[n-]n2)C2CC2)c1 ZINC001593587428 1174153346 /nfs/dbraw/zinc/15/33/46/1174153346.db2.gz GJSCTOWKVDIWLN-GFCCVEGCSA-N -1 1 294.322 1.615 20 0 CDADMM c1ncc(-c2nn[n-]n2)c(NCC[C@@H]2CC[C@@H]3C[C@@H]32)n1 ZINC001593594906 1174163819 /nfs/dbraw/zinc/16/38/19/1174163819.db2.gz JQQWHNBKKWIJCJ-IVZWLZJFSA-N -1 1 271.328 1.505 20 0 CDADMM c1ncc(-c2nnn[n-]2)nc1NC(C1CC1)C1CC1 ZINC001593595285 1174164113 /nfs/dbraw/zinc/16/41/13/1174164113.db2.gz PTJSBIYORHKGOJ-UHFFFAOYSA-N -1 1 257.301 1.257 20 0 CDADMM c1ncc(-c2nn[n-]n2)nc1NC(C1CC1)C1CC1 ZINC001593595285 1174164114 /nfs/dbraw/zinc/16/41/14/1174164114.db2.gz PTJSBIYORHKGOJ-UHFFFAOYSA-N -1 1 257.301 1.257 20 0 CDADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)co1 ZINC001600084534 1174356113 /nfs/dbraw/zinc/35/61/13/1174356113.db2.gz QJXPONUCYBBMDJ-JTQLQIEISA-N -1 1 280.324 1.209 20 0 CDADMM Cc1cc(CN2CCSC[C@H]2C)[nH]c1C(=O)[O-] ZINC001600196375 1174387325 /nfs/dbraw/zinc/38/73/25/1174387325.db2.gz QIPFZIKDSIAMRC-SECBINFHSA-N -1 1 254.355 1.959 20 0 CDADMM Cc1cc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)oc1C(=O)[O-] ZINC001600192511 1174399434 /nfs/dbraw/zinc/39/94/34/1174399434.db2.gz RNPFWGHEEWPLGV-DLOVCJGASA-N -1 1 292.335 1.372 20 0 CDADMM Cc1ccc(-c2nnc(CN3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)o2)cc1 ZINC001600319114 1174442802 /nfs/dbraw/zinc/44/28/02/1174442802.db2.gz FJMHWPFQGUYQMT-IMRBUKKESA-N -1 1 299.330 1.807 20 0 CDADMM Cc1ccc(C[N@H+](CC(=O)[O-])C(C)C)cc1C(=O)[O-] ZINC001600410346 1174465353 /nfs/dbraw/zinc/46/53/53/1174465353.db2.gz KCAOZSWEGXMSRD-UHFFFAOYSA-N -1 1 265.309 1.988 20 0 CDADMM Cc1ccc(NS(=O)(=O)CCC(=O)[O-])c2n[nH]cc21 ZINC001600463796 1174484743 /nfs/dbraw/zinc/48/47/43/1174484743.db2.gz RFHJROKRGHEUIM-UHFFFAOYSA-N -1 1 283.309 1.088 20 0 CDADMM Cc1nc2cccc(C(=O)N[C@@H](C)/C=C\C(=O)[O-])c2[nH]1 ZINC001600720852 1174579316 /nfs/dbraw/zinc/57/93/16/1174579316.db2.gz MGFIELTXCXYMFO-UAPHAKCISA-N -1 1 273.292 1.630 20 0 CDADMM Cn1c(CN[C@@](C)(CO)C(=O)[O-])cc2ccccc21 ZINC001600916326 1174663946 /nfs/dbraw/zinc/66/39/46/1174663946.db2.gz ICGWYBHEIBBMQQ-AWEZNQCLSA-N -1 1 262.309 1.104 20 0 CDADMM O=C([O-])[C@@H](C[C@H]1CCCO1)NCc1csc(Cl)n1 ZINC001601641505 1174923592 /nfs/dbraw/zinc/92/35/92/1174923592.db2.gz KWNSCSBEOQSLJB-RKDXNWHRSA-N -1 1 290.772 1.908 20 0 CDADMM O=C([O-])[C@H](N[C@H]1CCN(C2CCCCC2)C1=O)C1CC1 ZINC001601666693 1174936483 /nfs/dbraw/zinc/93/64/83/1174936483.db2.gz PSTLOFQHALNXDM-QWHCGFSZSA-N -1 1 280.368 1.373 20 0 CDADMM O=C([O-])CC[N@H+](CC(=O)[O-])Cc1c(F)ccc(O)c1F ZINC001602004608 1175108531 /nfs/dbraw/zinc/10/85/31/1175108531.db2.gz HTRZMQILSJIFCD-UHFFFAOYSA-N -1 1 289.234 1.032 20 0 CDADMM O=C([O-])CC[N@@H+](CC(=O)[O-])Cc1c(F)ccc(O)c1F ZINC001602004608 1175108534 /nfs/dbraw/zinc/10/85/34/1175108534.db2.gz HTRZMQILSJIFCD-UHFFFAOYSA-N -1 1 289.234 1.032 20 0 CDADMM O=C([O-])[C@H]1[C@@H]2CN(Cc3nccn3-c3ccccc3)C[C@@H]21 ZINC001602207215 1175166111 /nfs/dbraw/zinc/16/61/11/1175166111.db2.gz USLPYJKGDADTFO-NHAGDIPZSA-N -1 1 283.331 1.635 20 0 CDADMM O=C([O-])c1ccc(CN2C[C@H]3[C@H](CO)[C@H]3C2)c(F)c1 ZINC001602339896 1175213139 /nfs/dbraw/zinc/21/31/39/1175213139.db2.gz NPAQRMRWBXGLIR-GDNZZTSVSA-N -1 1 265.284 1.194 20 0 CDADMM O=C([O-])c1ccc(NCCc2ccc3cn[nH]c3c2)nn1 ZINC001602381794 1175229609 /nfs/dbraw/zinc/22/96/09/1175229609.db2.gz LMQXBIASVGNAPY-UHFFFAOYSA-N -1 1 283.291 1.706 20 0 CDADMM O=C([O-])c1cccc2c1CC[N@H+](C[C@@H](O)C1(O)CCC1)C2 ZINC001602456778 1175246253 /nfs/dbraw/zinc/24/62/53/1175246253.db2.gz CJAUYMAYEZNQGI-CQSZACIVSA-N -1 1 291.347 1.019 20 0 CDADMM O=C([O-])c1occc1CN[C@H]1COc2ccccc2[C@@H]1O ZINC001602589664 1175311093 /nfs/dbraw/zinc/31/10/93/1175311093.db2.gz HNHIOTGMVWRLIM-AAEUAGOBSA-N -1 1 289.287 1.562 20 0 CDADMM CC(=O)CN[C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001603001683 1175476816 /nfs/dbraw/zinc/47/68/16/1175476816.db2.gz ANZGCYAWUMYGEG-ZDUSSCGKSA-N -1 1 253.273 1.694 20 0 CDADMM CC(=O)NC[C@@H]1CCCCN1Cc1ccoc1C(=O)[O-] ZINC001603047195 1175481894 /nfs/dbraw/zinc/48/18/94/1175481894.db2.gz XVQOERIULNHFGJ-LBPRGKRZSA-N -1 1 280.324 1.468 20 0 CDADMM CC(C)(CNc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001603150935 1175502088 /nfs/dbraw/zinc/50/20/88/1175502088.db2.gz ZIZRDOKDLZASFD-UHFFFAOYSA-N -1 1 287.249 1.657 20 0 CDADMM CC(C)(CNc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001603150935 1175502092 /nfs/dbraw/zinc/50/20/92/1175502092.db2.gz ZIZRDOKDLZASFD-UHFFFAOYSA-N -1 1 287.249 1.657 20 0 CDADMM CC(C)C(CNc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001603223680 1175518091 /nfs/dbraw/zinc/51/80/91/1175518091.db2.gz NUEPNZJSSVALKA-UHFFFAOYSA-N -1 1 275.360 1.997 20 0 CDADMM CC(C)C(CNc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001603223680 1175518095 /nfs/dbraw/zinc/51/80/95/1175518095.db2.gz NUEPNZJSSVALKA-UHFFFAOYSA-N -1 1 275.360 1.997 20 0 CDADMM CC(C)(C(=O)[O-])C(=O)COC(=O)c1cccc2[nH]ncc21 ZINC001603241624 1175523661 /nfs/dbraw/zinc/52/36/61/1175523661.db2.gz BQFMTLZTHQFOJZ-UHFFFAOYSA-N -1 1 290.275 1.400 20 0 CDADMM CC(C)CCNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001603283143 1175531108 /nfs/dbraw/zinc/53/11/08/1175531108.db2.gz JMYWPPMAOSUXSX-UHFFFAOYSA-N -1 1 294.746 1.691 20 0 CDADMM CC(C)C[C@@H]1C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001603306566 1175535439 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C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H](O)c1ccccc1 ZINC001603682519 1175596027 /nfs/dbraw/zinc/59/60/27/1175596027.db2.gz WAJLPBHVBUDFNI-TVQRCGJNSA-N -1 1 297.322 1.191 20 0 CDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H](O)c1ccccc1 ZINC001603682519 1175596033 /nfs/dbraw/zinc/59/60/33/1175596033.db2.gz WAJLPBHVBUDFNI-TVQRCGJNSA-N -1 1 297.322 1.191 20 0 CDADMM C[C@@H]1C[C@@H](C)N(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001603848203 1175652912 /nfs/dbraw/zinc/65/29/12/1175652912.db2.gz YACXUIYGEQXJDV-RKDXNWHRSA-N -1 1 287.327 1.524 20 0 CDADMM C[C@@H]1C[C@@H](C)N(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001603848203 1175652915 /nfs/dbraw/zinc/65/29/15/1175652915.db2.gz YACXUIYGEQXJDV-RKDXNWHRSA-N -1 1 287.327 1.524 20 0 CDADMM C[C@@H]1CCCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001603890555 1175672957 /nfs/dbraw/zinc/67/29/57/1175672957.db2.gz LBEGVCSLEXQZMV-SECBINFHSA-N -1 1 275.312 1.722 20 0 CDADMM C[C@@H]1CCCCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001603890555 1175672962 /nfs/dbraw/zinc/67/29/62/1175672962.db2.gz LBEGVCSLEXQZMV-SECBINFHSA-N -1 1 275.312 1.722 20 0 CDADMM C[C@@H]1OCC[C@@H]1c1nnc(-c2ccc(-c3nnn[n-]3)o2)o1 ZINC001603955754 1175696869 /nfs/dbraw/zinc/69/68/69/1175696869.db2.gz RFILKTZLQNAIKK-BQBZGAKWSA-N -1 1 288.267 1.402 20 0 CDADMM C[C@@H]1OCC[C@@H]1c1nnc(-c2ccc(-c3nn[n-]n3)o2)o1 ZINC001603955754 1175696874 /nfs/dbraw/zinc/69/68/74/1175696874.db2.gz RFILKTZLQNAIKK-BQBZGAKWSA-N -1 1 288.267 1.402 20 0 CDADMM C[C@H]1Cc2cc(Nc3ccnc(-c4nnn[n-]4)c3)ccc2O1 ZINC001603952492 1175697767 /nfs/dbraw/zinc/69/77/67/1175697767.db2.gz JHPDPWYOUJEUBG-VIFPVBQESA-N -1 1 294.318 1.751 20 0 CDADMM C[C@H]1Cc2cc(Nc3ccnc(-c4nn[n-]n4)c3)ccc2O1 ZINC001603952492 1175697772 /nfs/dbraw/zinc/69/77/72/1175697772.db2.gz JHPDPWYOUJEUBG-VIFPVBQESA-N -1 1 294.318 1.751 20 0 CDADMM CC[C@@H](C)[C@@H](C)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001603996295 1175711923 /nfs/dbraw/zinc/71/19/23/1175711923.db2.gz GTGSNKRZOLNZIH-NXEZZACHSA-N -1 1 288.355 1.560 20 0 CDADMM 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287.262 1.552 20 0 CDADMM O=C(N[C@H](CCO)C1CC1)c1ncc2ccccc2c1[O-] ZINC000830373285 705343267 /nfs/dbraw/zinc/34/32/67/705343267.db2.gz URCMMMBHYRDLMS-CYBMUJFWSA-N -1 1 286.331 1.831 20 0 CDADMM O=S(=O)([N-][C@@H]1CCO[C@H](C2CC2)C1)c1ccns1 ZINC000885108727 705365297 /nfs/dbraw/zinc/36/52/97/705365297.db2.gz VFNZUWNWOBGCQN-ZJUUUORDSA-N -1 1 288.394 1.379 20 0 CDADMM O=C(OC[C@H]1CCS(=O)(=O)C1)c1ccc([O-])cc1F ZINC000788961624 705366240 /nfs/dbraw/zinc/36/62/40/705366240.db2.gz WWGKHIPZIKAKES-MRVPVSSYSA-N -1 1 288.296 1.123 20 0 CDADMM CCOC[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000821373471 705378059 /nfs/dbraw/zinc/37/80/59/705378059.db2.gz IMGUKAJTQPPHID-JTQLQIEISA-N -1 1 274.328 1.125 20 0 CDADMM CCOC[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000821373471 705378065 /nfs/dbraw/zinc/37/80/65/705378065.db2.gz IMGUKAJTQPPHID-JTQLQIEISA-N -1 1 274.328 1.125 20 0 CDADMM C[C@@]1(CNC(=O)c2c([O-])cccc2Cl)CCC(=O)N1 ZINC000837224759 705465825 /nfs/dbraw/zinc/46/58/25/705465825.db2.gz 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CDADMM OCc1cc(-c2ccc(-c3nnn[n-]3)nc2)ccc1O ZINC001244776395 947471060 /nfs/dbraw/zinc/47/10/60/947471060.db2.gz HRTAPQGHJNEFHW-UHFFFAOYSA-N -1 1 269.264 1.127 20 0 CDADMM OCc1cc(-c2ccc(-c3nn[n-]n3)nc2)ccc1O ZINC001244776395 947471064 /nfs/dbraw/zinc/47/10/64/947471064.db2.gz HRTAPQGHJNEFHW-UHFFFAOYSA-N -1 1 269.264 1.127 20 0 CDADMM COc1ncc(-c2cccc(N)c2)cc1[N-]S(C)(=O)=O ZINC001244795656 947476405 /nfs/dbraw/zinc/47/64/05/947476405.db2.gz HRKIDTUOSPCYOI-UHFFFAOYSA-N -1 1 293.348 1.711 20 0 CDADMM Cc1c(C(=O)[O-])cccc1-c1ncc2c(n1)CNC2 ZINC001245297213 947627326 /nfs/dbraw/zinc/62/73/26/947627326.db2.gz KCTZHONSJMDLKL-UHFFFAOYSA-N -1 1 255.277 1.753 20 0 CDADMM Nc1ncc(-c2ccc3c(c2)CC(=O)[N-]C3=O)cc1Cl ZINC001245565350 947757961 /nfs/dbraw/zinc/75/79/61/947757961.db2.gz BXRRUTBJOYLMHL-UHFFFAOYSA-N -1 1 287.706 1.797 20 0 CDADMM CCN(CC)c1ccc(-c2cc(=O)n(C(O)C=O)[n-]2)cc1 ZINC001245943447 947861956 /nfs/dbraw/zinc/86/19/56/947861956.db2.gz JMHMFBUZQPAQKW-UHFFFAOYSA-N -1 1 289.335 1.734 20 0 CDADMM O=[P@]([O-])(O)CCNC(=S)Nc1c(F)cccc1F ZINC001247104598 948589703 /nfs/dbraw/zinc/58/97/03/948589703.db2.gz OHCRMZPZWHRIMU-UHFFFAOYSA-N -1 1 296.235 1.429 20 0 CDADMM CC(C)[C@H]1C[C@H]1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001574088429 948923390 /nfs/dbraw/zinc/92/33/90/948923390.db2.gz CHRDNETZFRNRGX-GHMZBOCLSA-N -1 1 286.339 1.170 20 0 CDADMM CC(C)[C@H]1C[C@H]1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001574088429 948923399 /nfs/dbraw/zinc/92/33/99/948923399.db2.gz CHRDNETZFRNRGX-GHMZBOCLSA-N -1 1 286.339 1.170 20 0 CDADMM O=C([O-])c1ccc(CN2CC[C@@H](N3CCCC3=O)C2)s1 ZINC001595227463 949316439 /nfs/dbraw/zinc/31/64/39/949316439.db2.gz KQUXRCHJGAKSSV-SNVBAGLBSA-N -1 1 294.376 1.643 20 0 CDADMM C[C@@H](C(=O)[O-])C(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC001602811258 971603714 /nfs/dbraw/zinc/60/37/14/971603714.db2.gz WNBLNNNSRVQUNN-RXMQYKEDSA-N -1 1 267.672 1.876 20 0 CDADMM Cc1cc(Nc2cc(=O)[n-]c(N(C)C)n2)cnc1N ZINC001249785524 949799777 /nfs/dbraw/zinc/79/97/77/949799777.db2.gz WVKWNDTWMDTZMF-UHFFFAOYSA-N -1 1 260.301 1.277 20 0 CDADMM CCn1cc(C(=O)NC(CC)(CC)c2nn[n-]n2)c(C)n1 ZINC001362782079 971614973 /nfs/dbraw/zinc/61/49/73/971614973.db2.gz BHEOSDYRTLXPEE-UHFFFAOYSA-N -1 1 291.359 1.170 20 0 CDADMM O=C([O-])c1n[nH]cc1NC(=O)c1cccc2[nH]ncc21 ZINC001595274206 949890512 /nfs/dbraw/zinc/89/05/12/949890512.db2.gz VEFQNVRRGCMELD-UHFFFAOYSA-N -1 1 271.236 1.237 20 0 CDADMM Nc1cnn(CCO)c1Nc1cc([O-])c(F)c(F)c1F ZINC001249959034 949914678 /nfs/dbraw/zinc/91/46/78/949914678.db2.gz RTTOJZVGEXOTDD-UHFFFAOYSA-N -1 1 288.229 1.324 20 0 CDADMM Nc1cnc(Nc2cc([O-])c(F)c(F)c2F)cn1 ZINC001249960458 949915278 /nfs/dbraw/zinc/91/52/78/949915278.db2.gz IQAFPGQYDJAUFH-UHFFFAOYSA-N -1 1 256.187 1.925 20 0 CDADMM Nc1ccccc1-c1nnn(-c2c([O-])cccc2F)n1 ZINC001249994899 949930169 /nfs/dbraw/zinc/93/01/69/949930169.db2.gz WIALDYMSEJPKHX-UHFFFAOYSA-N -1 1 271.255 1.756 20 0 CDADMM COCc1nc(Cc2ccc([O-])c(F)c2F)no1 ZINC001250371419 950146817 /nfs/dbraw/zinc/14/68/17/950146817.db2.gz UCFOQGANUJOSQY-UHFFFAOYSA-N -1 1 256.208 1.791 20 0 CDADMM Cn1ccc(CCC(=O)Nc2cc([O-])c(F)cc2F)n1 ZINC001362820401 971644281 /nfs/dbraw/zinc/64/42/81/971644281.db2.gz SEAZZFPZCPBNNA-UHFFFAOYSA-N -1 1 281.262 1.975 20 0 CDADMM CCNc1nc(CN2CC[C@@H](C(=O)[O-])C2)cs1 ZINC001590036977 950749539 /nfs/dbraw/zinc/74/95/39/950749539.db2.gz DYELLTBPFJDNTP-MRVPVSSYSA-N -1 1 255.343 1.481 20 0 CDADMM O=C([O-])CCCC(=O)Nc1n[nH]c2cc(O)ccc21 ZINC001595028938 951362442 /nfs/dbraw/zinc/36/24/42/951362442.db2.gz MFSUSIOVVMGUDY-UHFFFAOYSA-N -1 1 263.253 1.462 20 0 CDADMM C[C@H](O)CN(C)Cc1cccc(C(=O)[O-])c1Cl ZINC000381763088 971776736 /nfs/dbraw/zinc/77/67/36/971776736.db2.gz XJPXMZRKFORMBC-QMMMGPOBSA-N -1 1 257.717 1.851 20 0 CDADMM CCOC(=O)c1ncc(Cl)cc1[N-]S(=O)(=O)CC ZINC001253284935 951840146 /nfs/dbraw/zinc/84/01/46/951840146.db2.gz VABCKRSMHSNMES-UHFFFAOYSA-N -1 1 292.744 1.673 20 0 CDADMM O=C([O-])Cn1cc(NCc2[nH]nc3ccccc32)cn1 ZINC001595147482 952120381 /nfs/dbraw/zinc/12/03/81/952120381.db2.gz DSUUZOGZFIMTON-UHFFFAOYSA-N -1 1 271.280 1.456 20 0 CDADMM O=C([O-])[C@@H]1CCCN(Cn2ccc(-c3nccs3)n2)C1 ZINC001595164748 952204079 /nfs/dbraw/zinc/20/40/79/952204079.db2.gz OKJSJMGCPRYCJC-SNVBAGLBSA-N -1 1 292.364 1.761 20 0 CDADMM O=C(c1ccc([O-])cn1)N1C[C@H](O)Cc2ccccc21 ZINC001363089179 971877410 /nfs/dbraw/zinc/87/74/10/971877410.db2.gz HFJYASHKQFNNBX-GFCCVEGCSA-N -1 1 270.288 1.351 20 0 CDADMM C[C@@H](c1nccc(N)n1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589279572 953480345 /nfs/dbraw/zinc/48/03/45/953480345.db2.gz NLOVTNBPPBYCCD-UTLUCORTSA-N -1 1 264.329 1.162 20 0 CDADMM O=C(NC[C@@H]1COc2ccccc21)c1ccc([O-])cn1 ZINC001363173874 971947403 /nfs/dbraw/zinc/94/74/03/971947403.db2.gz LLJMRXTUTZKLIW-SNVBAGLBSA-N -1 1 270.288 1.693 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1csc(Br)n1 ZINC001363704259 953674661 /nfs/dbraw/zinc/67/46/61/953674661.db2.gz FLMAUDWOFXGQIW-UHFFFAOYSA-N -1 1 289.114 1.587 20 0 CDADMM Cc1cc(=O)[nH]c(CNC(=O)c2ccc(F)c([O-])c2)n1 ZINC001363188433 971955955 /nfs/dbraw/zinc/95/59/55/971955955.db2.gz IJUSKCXHTUWENJ-UHFFFAOYSA-N -1 1 277.255 1.265 20 0 CDADMM C[C@H]1CCCN(C(=O)c2cc(C(F)F)[nH]n2)[C@@H]1C(=O)[O-] ZINC001589328301 953931531 /nfs/dbraw/zinc/93/15/31/953931531.db2.gz GCMWGADRIZOFSR-RCOVLWMOSA-N -1 1 287.266 1.673 20 0 CDADMM Cc1ccnn1CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001290781328 954075477 /nfs/dbraw/zinc/07/54/77/954075477.db2.gz CFCRLBGJJIYJOR-UHFFFAOYSA-N -1 1 297.318 1.926 20 0 CDADMM CC(=O)[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)c1ccccc1F ZINC001364008277 954120590 /nfs/dbraw/zinc/12/05/90/954120590.db2.gz JDUFOZXKYLNXOZ-GFCCVEGCSA-N -1 1 297.311 1.157 20 0 CDADMM O=C(CCC(=O)c1c(F)cccc1F)Nc1c[n-][nH]c1=O ZINC001364090356 954191543 /nfs/dbraw/zinc/19/15/43/954191543.db2.gz GOGIOVPJOWWLGI-UHFFFAOYSA-N -1 1 295.245 1.995 20 0 CDADMM CSc1nc(CNC(=O)Nc2ccnnc2)cc(=O)[n-]1 ZINC001364122049 954224871 /nfs/dbraw/zinc/22/48/71/954224871.db2.gz KVRPZSUVBUDVAD-UHFFFAOYSA-N -1 1 292.324 1.016 20 0 CDADMM CN(Cc1c(C(=O)[O-])cnn1C)C[C@@H]1CCCC[C@H]1O ZINC001593756888 954461113 /nfs/dbraw/zinc/46/11/13/954461113.db2.gz KXXQOUQHSUOTJX-GXFFZTMASA-N -1 1 281.356 1.101 20 0 CDADMM CC[C@@H](C(=O)[O-])N(C)C(=O)c1c2[nH]cnc2ccc1F ZINC001589436186 954688571 /nfs/dbraw/zinc/68/85/71/954688571.db2.gz ZRZCIHQKDYPCTG-VIFPVBQESA-N -1 1 279.271 1.637 20 0 CDADMM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(F)c1O ZINC001589438290 954698378 /nfs/dbraw/zinc/69/83/78/954698378.db2.gz ZGQBUPKPRYFBIH-VIFPVBQESA-N -1 1 255.245 1.467 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001364508671 954708516 /nfs/dbraw/zinc/70/85/16/954708516.db2.gz UHOASBZQTVJVKA-VIFPVBQESA-N -1 1 286.291 1.107 20 0 CDADMM CCn1ncnc1CN(CCC(=O)[O-])CC(C)C ZINC001327352300 954840444 /nfs/dbraw/zinc/84/04/44/954840444.db2.gz SXVRZGQIRJPPDF-UHFFFAOYSA-N -1 1 254.334 1.231 20 0 CDADMM O=C([O-])C1CN(Cc2ccc3c(c2)OCCCCO3)C1 ZINC001594951952 954962586 /nfs/dbraw/zinc/96/25/86/954962586.db2.gz XKZJDORFETUZLB-UHFFFAOYSA-N -1 1 277.320 1.754 20 0 CDADMM O=C([O-])c1coc(CN2CCC[C@@H]3OCC[C@@H]32)c1 ZINC001327888024 955096801 /nfs/dbraw/zinc/09/68/01/955096801.db2.gz HVQDHPXSAOBJEB-RYUDHWBXSA-N -1 1 251.282 1.731 20 0 CDADMM COc1ccc([O-])c(S(=O)(=O)NCc2cccnc2)c1 ZINC001364770341 955153160 /nfs/dbraw/zinc/15/31/60/955153160.db2.gz HAOJAMICPOERNV-UHFFFAOYSA-N -1 1 294.332 1.274 20 0 CDADMM CCNCc1nc(-c2cccc(CC(=O)[O-])c2)no1 ZINC001328412619 955289964 /nfs/dbraw/zinc/28/99/64/955289964.db2.gz JNFSPDAPQLDNQJ-UHFFFAOYSA-N -1 1 261.281 1.473 20 0 CDADMM Cn1cc(Cl)c(CN[C@@H](Cc2ccncc2)C(=O)[O-])n1 ZINC001594545259 955681033 /nfs/dbraw/zinc/68/10/33/955681033.db2.gz AFMPVYPCUHIWFR-NSHDSACASA-N -1 1 294.742 1.254 20 0 CDADMM O=C(NC[C@H](O)c1cccnc1)c1cccc([O-])c1F ZINC001363367230 972118151 /nfs/dbraw/zinc/11/81/51/972118151.db2.gz LHVSMFBCADZQJX-LBPRGKRZSA-N -1 1 276.267 1.390 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cncc(C(F)(F)F)c1 ZINC001365209516 955727772 /nfs/dbraw/zinc/72/77/72/955727772.db2.gz NFFXJPLUMJBULV-UHFFFAOYSA-N -1 1 272.186 1.781 20 0 CDADMM CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2c[n-][nH]c2=O)C1 ZINC001365213858 955732886 /nfs/dbraw/zinc/73/28/86/955732886.db2.gz VRWBTHXKAUTEPM-VIFPVBQESA-N -1 1 294.355 1.339 20 0 CDADMM Cc1nnsc1CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001363375405 972122645 /nfs/dbraw/zinc/12/26/45/972122645.db2.gz UQSMGXBPQFUBRO-UHFFFAOYSA-N -1 1 291.336 1.150 20 0 CDADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1c[nH]cn1 ZINC001365310440 955876997 /nfs/dbraw/zinc/87/69/97/955876997.db2.gz PLOIBZDUHRYEFA-WPRPVWTQSA-N -1 1 290.289 1.441 20 0 CDADMM Cc1conc1CNC(=O)c1ccc(F)c([O-])c1 ZINC001303586155 956106130 /nfs/dbraw/zinc/10/61/30/956106130.db2.gz MXULFORNSRBUEQ-UHFFFAOYSA-N -1 1 250.229 1.758 20 0 CDADMM CC1(O)CCC(NC(=O)c2ccc([O-])cn2)CC1 ZINC001303637838 956109891 /nfs/dbraw/zinc/10/98/91/956109891.db2.gz CMCFLKLNELBZNY-UHFFFAOYSA-N -1 1 250.298 1.211 20 0 CDADMM CO[C@@H]1CCN(Cc2cc(C(=O)[O-])nn2C)[C@@H](C)C1 ZINC001329826691 956129691 /nfs/dbraw/zinc/12/96/91/956129691.db2.gz SAROALCJNBCUCN-GXSJLCMTSA-N -1 1 267.329 1.118 20 0 CDADMM O=C(CCCc1nn[n-]n1)Nc1n[nH]cc1-c1ccccc1 ZINC001304746868 956222161 /nfs/dbraw/zinc/22/21/61/956222161.db2.gz LFJBNKKRMINLMN-UHFFFAOYSA-N -1 1 297.322 1.551 20 0 CDADMM O=C(Nc1c[nH][nH]c1=O)c1ccc2ccc(O)cc2c1[O-] ZINC001306848113 956338337 /nfs/dbraw/zinc/33/83/37/956338337.db2.gz KVZQMEHWOUJDHQ-UHFFFAOYSA-N -1 1 285.259 1.932 20 0 CDADMM N[C@@H](c1cn(CCCC(=O)[O-])nn1)c1ccc(F)cc1 ZINC001594653887 956493021 /nfs/dbraw/zinc/49/30/21/956493021.db2.gz FRKSZXAZFKJXFA-CYBMUJFWSA-N -1 1 278.287 1.330 20 0 CDADMM N[C@@H](CC(=O)[O-])c1noc(Cc2ccc(F)cc2Cl)n1 ZINC001594659070 956516015 /nfs/dbraw/zinc/51/60/15/956516015.db2.gz KGFBDYGNNMDDSF-VIFPVBQESA-N -1 1 299.689 1.927 20 0 CDADMM CC(C)n1cc(CN[C@H](Cc2ccncc2)C(=O)[O-])nn1 ZINC001603114736 972191337 /nfs/dbraw/zinc/19/13/37/972191337.db2.gz QKUVYTOWVJDMQX-CYBMUJFWSA-N -1 1 289.339 1.040 20 0 CDADMM O=C([O-])c1cncc(NC(=O)CCCCc2cn[nH]n2)c1 ZINC001594681822 956696699 /nfs/dbraw/zinc/69/66/99/956696699.db2.gz DCDPJAKZPSFRFP-UHFFFAOYSA-N -1 1 289.295 1.249 20 0 CDADMM Cc1cc(S(=O)(=O)[N-]Cc2cncc(F)c2)sn1 ZINC001424672345 957295943 /nfs/dbraw/zinc/29/59/43/957295943.db2.gz YEJJPPSMCXOWNQ-UHFFFAOYSA-N -1 1 287.341 1.464 20 0 CDADMM Cc1ccccc1NC(=O)CN1CCC[C@H]1CC(=O)[O-] ZINC000042163735 957405171 /nfs/dbraw/zinc/40/51/71/957405171.db2.gz CWYPKEXYRNHUFA-LBPRGKRZSA-N -1 1 276.336 1.873 20 0 CDADMM CN(Cc1ccccc1)C(=O)CN[C@H](C(=O)[O-])C1CC1 ZINC000054523715 957538756 /nfs/dbraw/zinc/53/87/56/957538756.db2.gz GYNIYIYOMSRTDS-AWEZNQCLSA-N -1 1 276.336 1.098 20 0 CDADMM COCC1=CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)CC1 ZINC001332557675 957622604 /nfs/dbraw/zinc/62/26/04/957622604.db2.gz FVMUXACXRYKZRM-UHFFFAOYSA-N -1 1 289.335 1.478 20 0 CDADMM N[C@@H](C(=O)NCCCCC(=O)[O-])c1ccccc1 ZINC000070201315 957663488 /nfs/dbraw/zinc/66/34/88/957663488.db2.gz STOLDGAGZVAJDK-GFCCVEGCSA-N -1 1 250.298 1.058 20 0 CDADMM C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)CCC(=O)[O-] ZINC000083662453 957832554 /nfs/dbraw/zinc/83/25/54/957832554.db2.gz IYWAVESERATFAU-JTQLQIEISA-N -1 1 285.365 1.558 20 0 CDADMM COc1c(C)cccc1CNCc1c(C(=O)[O-])cnn1C ZINC001594046860 957937608 /nfs/dbraw/zinc/93/76/08/957937608.db2.gz CEZQMFHILJCKDH-UHFFFAOYSA-N -1 1 289.335 1.725 20 0 CDADMM Cc1cnc(S[C@H]2CCN(C3CC3)C2=O)[n-]c1=O ZINC001333291257 958220302 /nfs/dbraw/zinc/22/03/02/958220302.db2.gz MRSNGONKWKKZDU-VIFPVBQESA-N -1 1 265.338 1.346 20 0 CDADMM CCN(Cc1ccccc1)C(=O)CN[C@@](C)(CC)C(=O)[O-] ZINC000094228223 958271562 /nfs/dbraw/zinc/27/15/62/958271562.db2.gz FXDVQOAFIGUCQA-INIZCTEOSA-N -1 1 292.379 1.878 20 0 CDADMM O=C([O-])c1ccc(CN2CCN(C3CC3)CC2)nc1 ZINC000094762396 958308497 /nfs/dbraw/zinc/30/84/97/958308497.db2.gz QEHXQRWBBJLYRX-UHFFFAOYSA-N -1 1 261.325 1.060 20 0 CDADMM Cc1[nH]n(-c2cccc(F)c2)c(=O)c1CC(=O)[O-] ZINC000103389922 958360173 /nfs/dbraw/zinc/36/01/73/958360173.db2.gz JIBUNFWKUBWXSM-JTQLQIEISA-N -1 1 250.229 1.639 20 0 CDADMM Cc1ccc(F)c(OCc2nc([C@@H](N)CC(=O)[O-])no2)c1 ZINC001594365742 958487686 /nfs/dbraw/zinc/48/76/86/958487686.db2.gz ZXZQHGRIYILYSN-VIFPVBQESA-N -1 1 295.270 1.571 20 0 CDADMM CCOc1ccc(C(=O)Nc2ccncc2[O-])cn1 ZINC001319361880 958516501 /nfs/dbraw/zinc/51/65/01/958516501.db2.gz ROEJLCCRCGIPED-UHFFFAOYSA-N -1 1 259.265 1.255 20 0 CDADMM Cc1nn(C)cc1CN1CCSC[C@@H]1CC(=O)[O-] ZINC000128994763 958690224 /nfs/dbraw/zinc/69/02/24/958690224.db2.gz ZRDUNLLINIDTRV-NSHDSACASA-N -1 1 269.370 1.121 20 0 CDADMM Cc1n[nH]c(C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)c1C ZINC001594398424 958802088 /nfs/dbraw/zinc/80/20/88/958802088.db2.gz ADOFZJMNFXRZFQ-CYBMUJFWSA-N -1 1 287.319 1.891 20 0 CDADMM COc1coc(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1=O ZINC001594155000 958824852 /nfs/dbraw/zinc/82/48/52/958824852.db2.gz NOOZCEQNASAKSN-GXSJLCMTSA-N -1 1 281.308 1.191 20 0 CDADMM COc1ncncc1CN1CCC(C)(C(=O)[O-])CC1 ZINC001594159608 958873010 /nfs/dbraw/zinc/87/30/10/958873010.db2.gz UIAMTYRTVQIQNR-UHFFFAOYSA-N -1 1 265.313 1.172 20 0 CDADMM Cc1nnc(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)o1 ZINC000135028219 958879930 /nfs/dbraw/zinc/87/99/30/958879930.db2.gz HIFVQLGYJOYJRK-SNVBAGLBSA-N -1 1 267.329 1.701 20 0 CDADMM COc1cccc(C[N@@H+](C)C[C@H](C)C(=O)[O-])c1F ZINC000166015802 959297507 /nfs/dbraw/zinc/29/75/07/959297507.db2.gz HIZQJPAXFNICPP-VIFPVBQESA-N -1 1 255.289 1.987 20 0 CDADMM C[C@H](C(=O)[O-])c1noc(-c2cccc(-c3nnc[nH]3)c2)n1 ZINC001588602153 959432820 /nfs/dbraw/zinc/43/28/20/959432820.db2.gz FJGYXSGJAONAFY-ZETCQYMHSA-N -1 1 285.263 1.710 20 0 CDADMM CCCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001371242771 972429714 /nfs/dbraw/zinc/42/97/14/972429714.db2.gz UNTSHNARSASFMP-WDEREUQCSA-N -1 1 293.367 1.600 20 0 CDADMM C[C@]1(C(=O)[O-])CCN(C(=O)c2c3[nH]cnc3ccc2F)C1 ZINC001573653093 959654590 /nfs/dbraw/zinc/65/45/90/959654590.db2.gz UTSSAGWJUHSNAW-AWEZNQCLSA-N -1 1 291.282 1.639 20 0 CDADMM C[C@@]1(C(=O)[O-])CCN(C(=O)c2c3[nH]cnc3ccc2F)C1 ZINC001573653095 959654913 /nfs/dbraw/zinc/65/49/13/959654913.db2.gz UTSSAGWJUHSNAW-CQSZACIVSA-N -1 1 291.282 1.639 20 0 CDADMM CC[C@@H](C)c1nc([C@@H](C)NC(=O)[C@H]2CC[C@H]2C(=O)[O-])n[nH]1 ZINC001573680087 959738141 /nfs/dbraw/zinc/73/81/41/959738141.db2.gz ZUNKFLJMYWCLMK-DOLQZWNJSA-N -1 1 294.355 1.606 20 0 CDADMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2nc(CO)cs2)C1 ZINC001573699987 959822250 /nfs/dbraw/zinc/82/22/50/959822250.db2.gz YNLZYOPUFFOXKY-IUCAKERBSA-N -1 1 270.354 1.178 20 0 CDADMM CC(C)CC(=O)N(C)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001369822736 959884221 /nfs/dbraw/zinc/88/42/21/959884221.db2.gz BDTIXQYGOZOZBK-LLVKDONJSA-N -1 1 293.367 1.410 20 0 CDADMM Cc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C)c1nnc[nH]1 ZINC000230434140 960152232 /nfs/dbraw/zinc/15/22/32/960152232.db2.gz SJOMVJMWGBRADA-MRVPVSSYSA-N -1 1 289.295 1.694 20 0 CDADMM Cc1cc(C[C@H](C)N=c2nn[n-]n2-c2ccc(C)cc2)[nH]n1 ZINC001336547707 960390912 /nfs/dbraw/zinc/39/09/12/960390912.db2.gz BRZKBTSCRFYPEK-NSHDSACASA-N -1 1 297.366 1.467 20 0 CDADMM C[C@H]1CCCN(Cc2n[nH]c(C(C)(C)C)n2)[C@H]1C(=O)[O-] ZINC001573727563 960421080 /nfs/dbraw/zinc/42/10/80/960421080.db2.gz WDTBHHBQQXXDEI-GXSJLCMTSA-N -1 1 280.372 1.787 20 0 CDADMM C[C@@H]1CN(C)C[C@H](C)N1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001573747519 960506334 /nfs/dbraw/zinc/50/63/34/960506334.db2.gz CWXPKLHNBLZRPW-UCSNCLKLSA-N -1 1 292.335 1.542 20 0 CDADMM Cc1cc(CN[C@@](C)(CC(=O)[O-])c2ccncc2)n(C)n1 ZINC001571034738 960511075 /nfs/dbraw/zinc/51/10/75/960511075.db2.gz SEONMBAKNVFVNR-HNNXBMFYSA-N -1 1 288.351 1.603 20 0 CDADMM CO[C@@H](C)CN(C(=O)c1cnc(C2CC2)[n-]c1=O)C(C)C ZINC001433712821 960549235 /nfs/dbraw/zinc/54/92/35/960549235.db2.gz UYFGVUZRMQGOAQ-JTQLQIEISA-N -1 1 293.367 1.945 20 0 CDADMM COC[C@@](C)(CC(=O)[O-])NC(=O)c1cccc2nc[nH]c21 ZINC001571041430 960585832 /nfs/dbraw/zinc/58/58/32/960585832.db2.gz PRRFUCXCVOWVND-CQSZACIVSA-N -1 1 291.307 1.173 20 0 CDADMM C[C@H](c1ncc(C(=O)[O-])s1)N1CC[C@@H](C(=O)N(C)C)C1 ZINC001571063263 960809699 /nfs/dbraw/zinc/80/96/99/960809699.db2.gz NBSUXXVYQORWQM-RKDXNWHRSA-N -1 1 297.380 1.312 20 0 CDADMM CC[C@@H]1CN(CC)CCN1C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001573830841 961016915 /nfs/dbraw/zinc/01/69/15/961016915.db2.gz UGZIPAIKNFMUFY-GRYCIOLGSA-N -1 1 268.357 1.040 20 0 CDADMM O=C([O-])CC1(CN2CCOC[C@H]2[C@@H]2CCCO2)CC1 ZINC001328753315 961224591 /nfs/dbraw/zinc/22/45/91/961224591.db2.gz AGAZULZPRNXTJH-RYUDHWBXSA-N -1 1 269.341 1.121 20 0 CDADMM C[C@H](C(=O)Nc1cncc(C(=O)[O-])c1)N1[C@H](C)CC[C@H]1C ZINC000251683884 961255214 /nfs/dbraw/zinc/25/52/14/961255214.db2.gz GYWDMGRWOPJPFN-GMTAPVOTSA-N -1 1 291.351 1.980 20 0 CDADMM Cc1ccnc(-c2noc(CN(C)CCCC(=O)[O-])n2)c1 ZINC001574407314 961264897 /nfs/dbraw/zinc/26/48/97/961264897.db2.gz HCAGEGYDISUTHU-UHFFFAOYSA-N -1 1 290.323 1.737 20 0 CDADMM COC[C@@H]1CCN([C@@H](C(=O)[O-])c2ccsc2)C1 ZINC001329676560 961295191 /nfs/dbraw/zinc/29/51/91/961295191.db2.gz PQPHKDFSZKIWNC-MWLCHTKSSA-N -1 1 255.339 1.842 20 0 CDADMM COC(=O)N1CCN(CCC2(C(=O)[O-])CCC2)CC1 ZINC001574075339 962256795 /nfs/dbraw/zinc/25/67/95/962256795.db2.gz GYWZDEHMTNQHFE-UHFFFAOYSA-N -1 1 270.329 1.015 20 0 CDADMM O=C([O-])C1CCN(C(=O)c2c3[nH]cnc3ccc2F)CC1 ZINC001574656264 962462086 /nfs/dbraw/zinc/46/20/86/962462086.db2.gz RINXZKYUEQULAF-UHFFFAOYSA-N -1 1 291.282 1.639 20 0 CDADMM Cc1cc(=O)[n-]c(C[NH2+][C@H](Cc2ccccc2)C(=O)[O-])n1 ZINC001574145177 962609844 /nfs/dbraw/zinc/60/98/44/962609844.db2.gz YQCTYSBZFWTYQK-GFCCVEGCSA-N -1 1 287.319 1.276 20 0 CDADMM Cc1sc(C(=O)[O-])cc1NC(=O)[C@H](C)N(C)C ZINC001339915603 962619323 /nfs/dbraw/zinc/61/93/23/962619323.db2.gz WOVGWSDIDYPVAZ-LURJTMIESA-N -1 1 256.327 1.643 20 0 CDADMM CCC[C@@H](CN(C)[C@@H](COC(C)C)C(=O)[O-])OC ZINC001570982250 963095410 /nfs/dbraw/zinc/09/54/10/963095410.db2.gz OSPUBFMRRLVCGA-RYUDHWBXSA-N -1 1 261.362 1.612 20 0 CDADMM C[C@@H](c1ncc(C(=O)[O-])s1)N(C)C[C@@H]1CCOC1 ZINC001570996786 963185845 /nfs/dbraw/zinc/18/58/45/963185845.db2.gz MSARJGFJHQJYPC-IUCAKERBSA-N -1 1 270.354 1.871 20 0 CDADMM CC(=O)Nc1ccc(F)c(C(=O)Nc2c[n-][nH]c2=O)c1 ZINC001420965254 963389699 /nfs/dbraw/zinc/38/96/99/963389699.db2.gz PWTYBPVLKJQRCZ-UHFFFAOYSA-N -1 1 278.243 1.465 20 0 CDADMM CC(C)(C)N1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC000313930491 963692423 /nfs/dbraw/zinc/69/24/23/963692423.db2.gz GJCIFFJSLABVJY-UHFFFAOYSA-N -1 1 299.415 1.613 20 0 CDADMM CC(C)C[C@@H](CO)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000314680079 963790683 /nfs/dbraw/zinc/79/06/83/963790683.db2.gz RFJJMLKIXMASSI-BDAKNGLRSA-N -1 1 272.370 1.899 20 0 CDADMM CC(C)[C@H](O)CN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000315023409 963845917 /nfs/dbraw/zinc/84/59/17/963845917.db2.gz UJOYTZCYYAAHJC-HTQZYQBOSA-N -1 1 258.343 1.509 20 0 CDADMM CC[C@@H](O)CCN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000315059049 963851647 /nfs/dbraw/zinc/85/16/47/963851647.db2.gz ZHUOGAZBFBALFQ-JGVFFNPUSA-N -1 1 258.343 1.653 20 0 CDADMM C[C@H](SCCC[N-]C(=O)C(F)(F)F)c1nncn1C ZINC001342904620 963855534 /nfs/dbraw/zinc/85/55/34/963855534.db2.gz WXIFPMLUPKTSRY-ZETCQYMHSA-N -1 1 296.318 1.678 20 0 CDADMM C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)c1ncc(C(=O)[O-])s1 ZINC000315385952 963892901 /nfs/dbraw/zinc/89/29/01/963892901.db2.gz SUNVPPOZMMVEKW-NBEYISGCSA-N -1 1 270.354 1.651 20 0 CDADMM O=C([O-])[C@@H]1CN(c2ncnc3[nH]cnc32)Cc2ccccc21 ZINC000316028041 963967298 /nfs/dbraw/zinc/96/72/98/963967298.db2.gz MWDVSUMOKZQGTK-LLVKDONJSA-N -1 1 295.302 1.541 20 0 CDADMM O=C(C[C@@H]1C[C@@H]1Cc1ccccc1)Nc1nnn[n-]1 ZINC001553114230 964532603 /nfs/dbraw/zinc/53/26/03/964532603.db2.gz OEIMQCFSTPGUBG-QWRGUYRKSA-N -1 1 257.297 1.407 20 0 CDADMM O=C(C[C@@H]1C[C@@H]1Cc1ccccc1)Nc1nn[n-]n1 ZINC001553114230 964532611 /nfs/dbraw/zinc/53/26/11/964532611.db2.gz OEIMQCFSTPGUBG-QWRGUYRKSA-N -1 1 257.297 1.407 20 0 CDADMM O=C(NCc1nn[n-]n1)[C@H](Cc1ccccc1)C1CC1 ZINC001553565965 964894212 /nfs/dbraw/zinc/89/42/12/964894212.db2.gz UIEYAWCZWFMZFW-GFCCVEGCSA-N -1 1 271.324 1.085 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC[C@H]1CCCCO1 ZINC001346227828 964999579 /nfs/dbraw/zinc/99/95/79/964999579.db2.gz DLDPWDCIXACVTL-MRVPVSSYSA-N -1 1 283.353 1.078 20 0 CDADMM COc1cccc(NC(=O)C2=C([O-])C(C)N=N2)c1C ZINC001557495518 965180898 /nfs/dbraw/zinc/18/08/98/965180898.db2.gz VCKDNDUNQYWRFK-UHFFFAOYSA-N -1 1 261.281 1.993 20 0 CDADMM O=C(Nc1cnn(CCF)c1)c1cncc([O-])c1 ZINC001557510850 965182230 /nfs/dbraw/zinc/18/22/30/965182230.db2.gz XMKPYWQEQYABSP-UHFFFAOYSA-N -1 1 250.233 1.206 20 0 CDADMM Cc1nnc(CNC(=O)c2ncc3ccccc3c2[O-])[nH]1 ZINC001558694961 965342319 /nfs/dbraw/zinc/34/23/19/965342319.db2.gz HNCOECVWCGIFRU-UHFFFAOYSA-N -1 1 283.291 1.297 20 0 CDADMM Cc1noc([N-]C(=O)c2ccc(-c3cnn(C)c3)o2)n1 ZINC001558915164 965373041 /nfs/dbraw/zinc/37/30/41/965373041.db2.gz XZEYMLLBPBZTSK-UHFFFAOYSA-N -1 1 273.252 1.624 20 0 CDADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)C1CCC1 ZINC001443779415 965604248 /nfs/dbraw/zinc/60/42/48/965604248.db2.gz HRSREMAQPGUATI-SNVBAGLBSA-N -1 1 291.351 1.164 20 0 CDADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H]1CCCC1(F)F ZINC001347583779 965606244 /nfs/dbraw/zinc/60/62/44/965606244.db2.gz MGTFKHMSJVPVJS-LURJTMIESA-N -1 1 289.307 1.697 20 0 CDADMM CC[C@@H](CNC(=O)C1CCCCC1)NCc1n[nH]c(=O)[n-]1 ZINC001443887023 965648526 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O=C([O-])c1cccc(CNc2ncnc3[nH]cnc32)c1 ZINC000037716800 601933515 /nfs/dbraw/zinc/93/35/15/601933515.db2.gz UVKREHPLKUIYHF-UHFFFAOYSA-N -1 1 269.264 1.663 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000826514265 607544745 /nfs/dbraw/zinc/54/47/45/607544745.db2.gz MJNZKHIOTMJZEA-QWRGUYRKSA-N -1 1 286.339 1.125 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000826514265 607544747 /nfs/dbraw/zinc/54/47/47/607544747.db2.gz MJNZKHIOTMJZEA-QWRGUYRKSA-N -1 1 286.339 1.125 20 0 CDADMM CC(C)(C)c1nnc(CNC(C)(C)CC(=O)[O-])o1 ZINC000826542190 602259021 /nfs/dbraw/zinc/25/90/21/602259021.db2.gz LSJPPAMEHADCFK-UHFFFAOYSA-N -1 1 255.318 1.710 20 0 CDADMM CC[C@@H](C)[C@@H](NCC(=O)NCCc1ccccc1)C(=O)[O-] ZINC000828736388 602266075 /nfs/dbraw/zinc/26/60/75/602266075.db2.gz GWJRHGHSYMUTPI-IUODEOHRSA-N -1 1 292.379 1.434 20 0 CDADMM CC[C@](C)(NC(=O)CN1CCC(C)CC1)C(=O)[O-] ZINC000828685026 602297237 /nfs/dbraw/zinc/29/72/37/602297237.db2.gz CDYSPRWGBDJPJX-ZDUSSCGKSA-N -1 1 256.346 1.088 20 0 CDADMM Cc1cc(=O)[n-]c(C[NH2+]C2(CC(=O)[O-])CCCCC2)n1 ZINC000832900026 602324103 /nfs/dbraw/zinc/32/41/03/602324103.db2.gz XEWSKHMLDRTOFR-UHFFFAOYSA-N -1 1 279.340 1.758 20 0 CDADMM O=C([O-])NCCCC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000832605062 603549916 /nfs/dbraw/zinc/54/99/16/603549916.db2.gz HVQDHMAOVAMDNN-UHFFFAOYSA-N -1 1 280.328 1.164 20 0 CDADMM C[C@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1nnc[nH]1 ZINC000827694124 604296023 /nfs/dbraw/zinc/29/60/23/604296023.db2.gz BQXBFYIDXKNQBR-LURJTMIESA-N -1 1 278.243 1.133 20 0 CDADMM C[C@H](C(=O)c1c[nH]c2ncccc12)N1CC[C@@H](C(=O)[O-])C1 ZINC000819901491 604470028 /nfs/dbraw/zinc/47/00/28/604470028.db2.gz HCAYJXDATZNLOU-NXEZZACHSA-N -1 1 287.319 1.541 20 0 CDADMM CC(C)N(CC(=O)[O-])Cc1ccc(S(C)(=O)=O)cc1 ZINC000311422448 604557208 /nfs/dbraw/zinc/55/72/08/604557208.db2.gz CZHJDWGIDQRNSE-UHFFFAOYSA-N -1 1 285.365 1.385 20 0 CDADMM C[C@H]1C[C@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833604653 604866921 /nfs/dbraw/zinc/86/69/21/604866921.db2.gz KZGFDUZGTOJTCH-POYBYMJQSA-N -1 1 259.265 1.856 20 0 CDADMM O=C([O-])C[C@H](NC(=O)c1cccc2nc[nH]c21)C1CC1 ZINC000833773330 604916769 /nfs/dbraw/zinc/91/67/69/604916769.db2.gz UNLDBIVEXNWDMO-NSHDSACASA-N -1 1 273.292 1.546 20 0 CDADMM Cc1ncc2c(n1)CCC[C@@H]2N[C@@H](C(=O)[O-])c1cccnc1 ZINC000833009076 605002316 /nfs/dbraw/zinc/00/23/16/605002316.db2.gz AGBRASVQEJDQJY-LSDHHAIUSA-N -1 1 298.346 1.973 20 0 CDADMM CCCn1c(C)nnc1CN1CC[C@](C)(C(=O)[O-])C1 ZINC000833652830 605048196 /nfs/dbraw/zinc/04/81/96/605048196.db2.gz OEQJUZMYKBCPHA-ZDUSSCGKSA-N -1 1 266.345 1.293 20 0 CDADMM CO[C@H](C)CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833718281 605059444 /nfs/dbraw/zinc/05/94/44/605059444.db2.gz KCMNDTJURFHBOB-SSDOTTSWSA-N -1 1 277.280 1.625 20 0 CDADMM C[C@@H]1C[C@@H](N[C@@H](C(=O)[O-])C2CC2)C(=O)N1c1ccccc1 ZINC000833601563 605066109 /nfs/dbraw/zinc/06/61/09/605066109.db2.gz WAEVCCJWYYQKIE-LERXQTSPSA-N -1 1 288.347 1.633 20 0 CDADMM Cn1ccc(CNc2snc(Cl)c2-c2nnn[n-]2)n1 ZINC000826363526 608232480 /nfs/dbraw/zinc/23/24/80/608232480.db2.gz QKGGNPZWOUABGF-UHFFFAOYSA-N -1 1 296.747 1.322 20 0 CDADMM C[C@H]1CC/C(=C/C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])C1 ZINC000833600156 605076567 /nfs/dbraw/zinc/07/65/67/605076567.db2.gz BJTRPGSBUDFCOO-WSDNMOEQSA-N -1 1 277.324 1.268 20 0 CDADMM Cn1ccc(CNc2snc(Cl)c2-c2nn[n-]n2)n1 ZINC000826363526 608232482 /nfs/dbraw/zinc/23/24/82/608232482.db2.gz QKGGNPZWOUABGF-UHFFFAOYSA-N -1 1 296.747 1.322 20 0 CDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C=C1CCC1 ZINC000833619506 605101615 /nfs/dbraw/zinc/10/16/15/605101615.db2.gz IMXSGQHGXSEQFQ-NSHDSACASA-N -1 1 266.341 1.104 20 0 CDADMM C[C@@H]1CC[C@@H](CC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)C1 ZINC000833601704 605112178 /nfs/dbraw/zinc/11/21/78/605112178.db2.gz DMVRBPFHAPLJSP-MGPQQGTHSA-N -1 1 296.411 1.820 20 0 CDADMM CC(C)c1nnc(CN2CCN(CCC(=O)[O-])C[C@@H]2C)o1 ZINC000833512442 605190252 /nfs/dbraw/zinc/19/02/52/605190252.db2.gz WKYDCHPJSJPKON-NSHDSACASA-N -1 1 296.371 1.174 20 0 CDADMM C[C@H]1CN(C(=O)Cc2ccsc2)CCN1CCC(=O)[O-] ZINC000833621016 605250714 /nfs/dbraw/zinc/25/07/14/605250714.db2.gz HLMMLEDGNLUDPN-NSHDSACASA-N -1 1 296.392 1.298 20 0 CDADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCc2cccs2)C1 ZINC000035296882 617191180 /nfs/dbraw/zinc/19/11/80/617191180.db2.gz GWGSDPPJZNRHEY-SNVBAGLBSA-N -1 1 282.365 1.161 20 0 CDADMM CC(C)Cn1ncnc1CNC(C)(C)CC(=O)[O-] ZINC000833495494 605468974 /nfs/dbraw/zinc/46/89/74/605468974.db2.gz DULINTPBGJAHTN-UHFFFAOYSA-N -1 1 254.334 1.277 20 0 CDADMM C[C@H]1[C@H](C)N(C(=O)Nc2ccc(C(=O)[O-])cc2)CCN1C ZINC000833585071 605508251 /nfs/dbraw/zinc/50/82/51/605508251.db2.gz ZNNXIJGCFBWWCT-QWRGUYRKSA-N -1 1 291.351 1.941 20 0 CDADMM COC[C@@](C)(CC(=O)[O-])NCc1c(F)cccc1F ZINC000833722305 605678354 /nfs/dbraw/zinc/67/83/54/605678354.db2.gz QPBMSWYMLMVYSK-CYBMUJFWSA-N -1 1 273.279 1.934 20 0 CDADMM O=C(Nc1ccc(O)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823350317 606131659 /nfs/dbraw/zinc/13/16/59/606131659.db2.gz IYWJIHCZSLGGDR-UHFFFAOYSA-N -1 1 287.304 1.886 20 0 CDADMM O=C(Nc1ccc(O)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823350317 606131657 /nfs/dbraw/zinc/13/16/57/606131657.db2.gz IYWJIHCZSLGGDR-UHFFFAOYSA-N -1 1 287.304 1.886 20 0 CDADMM CN(CC(F)F)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821595218 606464063 /nfs/dbraw/zinc/46/40/63/606464063.db2.gz PKGTUOPBNSZONB-UHFFFAOYSA-N -1 1 274.662 1.616 20 0 CDADMM CN(CC(F)F)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821595218 606464064 /nfs/dbraw/zinc/46/40/64/606464064.db2.gz PKGTUOPBNSZONB-UHFFFAOYSA-N -1 1 274.662 1.616 20 0 CDADMM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000820270243 606533950 /nfs/dbraw/zinc/53/39/50/606533950.db2.gz YJSQSYPIIJHTMI-ZETCQYMHSA-N -1 1 277.353 1.704 20 0 CDADMM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000820270243 606533951 /nfs/dbraw/zinc/53/39/51/606533951.db2.gz YJSQSYPIIJHTMI-ZETCQYMHSA-N -1 1 277.353 1.704 20 0 CDADMM CCC(O)(CC)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820926953 606574092 /nfs/dbraw/zinc/57/40/92/606574092.db2.gz YCSHKYFVOVEDTR-UHFFFAOYSA-N -1 1 295.368 1.209 20 0 CDADMM CCC(O)(CC)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820926953 606574090 /nfs/dbraw/zinc/57/40/90/606574090.db2.gz YCSHKYFVOVEDTR-UHFFFAOYSA-N -1 1 295.368 1.209 20 0 CDADMM Cc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)n1C ZINC000822227576 606648089 /nfs/dbraw/zinc/64/80/89/606648089.db2.gz NOBFUXGZBDTOIP-UHFFFAOYSA-N -1 1 298.306 1.266 20 0 CDADMM Cc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)n1C ZINC000822227576 606648090 /nfs/dbraw/zinc/64/80/90/606648090.db2.gz NOBFUXGZBDTOIP-UHFFFAOYSA-N -1 1 298.306 1.266 20 0 CDADMM Clc1ccccc1OCCn1ccnc1-c1nnn[n-]1 ZINC000822591108 606654901 /nfs/dbraw/zinc/65/49/01/606654901.db2.gz RADGJRMXFTVPQP-UHFFFAOYSA-N -1 1 290.714 1.796 20 0 CDADMM Clc1ccccc1OCCn1ccnc1-c1nn[n-]n1 ZINC000822591108 606654902 /nfs/dbraw/zinc/65/49/02/606654902.db2.gz RADGJRMXFTVPQP-UHFFFAOYSA-N -1 1 290.714 1.796 20 0 CDADMM Cc1ccccc1OCCn1ccnc1-c1nnn[n-]1 ZINC000822366279 606655144 /nfs/dbraw/zinc/65/51/44/606655144.db2.gz GGCFBNPAWHZDOU-UHFFFAOYSA-N -1 1 270.296 1.451 20 0 CDADMM Cc1ccccc1OCCn1ccnc1-c1nn[n-]n1 ZINC000822366279 606655145 /nfs/dbraw/zinc/65/51/45/606655145.db2.gz GGCFBNPAWHZDOU-UHFFFAOYSA-N -1 1 270.296 1.451 20 0 CDADMM CCc1nn(C[C@H](C)CC)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821518295 606703840 /nfs/dbraw/zinc/70/38/40/606703840.db2.gz SUATYRQXFWVMKH-SECBINFHSA-N -1 1 290.371 1.594 20 0 CDADMM CCc1nnc(Oc2cccnc2)c(-c2nn[n-]n2)c1CC ZINC000821548697 606910248 /nfs/dbraw/zinc/91/02/48/606910248.db2.gz UILNPWUYTOCGKR-UHFFFAOYSA-N -1 1 297.322 1.969 20 0 CDADMM CC(C)CO[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000820103257 607044274 /nfs/dbraw/zinc/04/42/74/607044274.db2.gz RHZMPWIDYLTKHQ-LLVKDONJSA-N -1 1 288.355 1.513 20 0 CDADMM CC(C)CO[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000820103257 607044276 /nfs/dbraw/zinc/04/42/76/607044276.db2.gz RHZMPWIDYLTKHQ-LLVKDONJSA-N -1 1 288.355 1.513 20 0 CDADMM CCC[C@H](CC)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821016713 607092456 /nfs/dbraw/zinc/09/24/56/607092456.db2.gz YVNOOXJMBZFDLH-JTQLQIEISA-N -1 1 275.312 1.997 20 0 CDADMM CCC[C@H](CC)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821016713 607092458 /nfs/dbraw/zinc/09/24/58/607092458.db2.gz YVNOOXJMBZFDLH-JTQLQIEISA-N -1 1 275.312 1.997 20 0 CDADMM CCC[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000825260010 607969757 /nfs/dbraw/zinc/96/97/57/607969757.db2.gz MANUDBDRVGDFIE-JTQLQIEISA-N -1 1 274.328 1.267 20 0 CDADMM CCC[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000825260010 607969758 /nfs/dbraw/zinc/96/97/58/607969758.db2.gz MANUDBDRVGDFIE-JTQLQIEISA-N -1 1 274.328 1.267 20 0 CDADMM COc1ccc2nc(-c3ccc(-c4nnn[n-]4)o3)[nH]c2n1 ZINC000826213953 607976030 /nfs/dbraw/zinc/97/60/30/607976030.db2.gz UBNQIVQJBDUATD-UHFFFAOYSA-N -1 1 283.251 1.407 20 0 CDADMM COc1ccc2nc(-c3ccc(-c4nn[n-]n4)o3)[nH]c2n1 ZINC000826213953 607976031 /nfs/dbraw/zinc/97/60/31/607976031.db2.gz UBNQIVQJBDUATD-UHFFFAOYSA-N -1 1 283.251 1.407 20 0 CDADMM c1cc(Nc2ccc(-c3nnn[n-]3)nn2)cc2c1CCC2 ZINC000826518215 607988072 /nfs/dbraw/zinc/98/80/72/607988072.db2.gz GHLFKUSUUSBRJK-UHFFFAOYSA-N -1 1 279.307 1.889 20 0 CDADMM c1cc(Nc2ccc(-c3nn[n-]n3)nn2)cc2c1CCC2 ZINC000826518215 607988073 /nfs/dbraw/zinc/98/80/73/607988073.db2.gz GHLFKUSUUSBRJK-UHFFFAOYSA-N -1 1 279.307 1.889 20 0 CDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC000824656122 608391343 /nfs/dbraw/zinc/39/13/43/608391343.db2.gz HXYIPMRQFBJYJI-MRVPVSSYSA-N -1 1 268.284 1.225 20 0 CDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC000824656122 608391344 /nfs/dbraw/zinc/39/13/44/608391344.db2.gz HXYIPMRQFBJYJI-MRVPVSSYSA-N -1 1 268.284 1.225 20 0 CDADMM Fc1ccc2c(c1)N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000826376318 608407231 /nfs/dbraw/zinc/40/72/31/608407231.db2.gz XUBKWRVJTBUFJX-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM Fc1ccc2c(c1)N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000826376318 608407233 /nfs/dbraw/zinc/40/72/33/608407233.db2.gz XUBKWRVJTBUFJX-UHFFFAOYSA-N -1 1 283.270 1.490 20 0 CDADMM C[C@@H]1C[C@H]2CCCC[C@H]2N1c1ccc(-c2nnn[n-]2)nn1 ZINC000824901595 608424781 /nfs/dbraw/zinc/42/47/81/608424781.db2.gz ZHTOWPANHDHAAR-CKYFFXLPSA-N -1 1 285.355 1.814 20 0 CDADMM C[C@@H]1C[C@H]2CCCC[C@H]2N1c1ccc(-c2nn[n-]n2)nn1 ZINC000824901595 608424782 /nfs/dbraw/zinc/42/47/82/608424782.db2.gz ZHTOWPANHDHAAR-CKYFFXLPSA-N -1 1 285.355 1.814 20 0 CDADMM CCOC(=O)[C@@H](CC)Sc1ccc(-c2nnn[n-]2)nn1 ZINC000825486696 608428031 /nfs/dbraw/zinc/42/80/31/608428031.db2.gz WGFJMCJSFCFENT-MRVPVSSYSA-N -1 1 294.340 1.091 20 0 CDADMM CCOC(=O)[C@@H](CC)Sc1ccc(-c2nn[n-]n2)nn1 ZINC000825486696 608428033 /nfs/dbraw/zinc/42/80/33/608428033.db2.gz WGFJMCJSFCFENT-MRVPVSSYSA-N -1 1 294.340 1.091 20 0 CDADMM COc1cc(C)cc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826178436 608435663 /nfs/dbraw/zinc/43/56/63/608435663.db2.gz XZMRFRVGBRTKBK-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM COc1cc(C)cc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826178436 608435665 /nfs/dbraw/zinc/43/56/65/608435665.db2.gz XZMRFRVGBRTKBK-UHFFFAOYSA-N -1 1 297.322 1.586 20 0 CDADMM CC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC000825213211 608512689 /nfs/dbraw/zinc/51/26/89/608512689.db2.gz WWOQBXZFDPIFHE-VIFPVBQESA-N -1 1 263.301 1.071 20 0 CDADMM CC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC000825213211 608512690 /nfs/dbraw/zinc/51/26/90/608512690.db2.gz WWOQBXZFDPIFHE-VIFPVBQESA-N -1 1 263.301 1.071 20 0 CDADMM Clc1ccc(CNc2nccnc2-c2nnn[n-]2)nc1 ZINC000826352153 608585678 /nfs/dbraw/zinc/58/56/78/608585678.db2.gz POMFQVSUIZMTQC-UHFFFAOYSA-N -1 1 288.702 1.317 20 0 CDADMM Clc1ccc(CNc2nccnc2-c2nn[n-]n2)nc1 ZINC000826352153 608585679 /nfs/dbraw/zinc/58/56/79/608585679.db2.gz POMFQVSUIZMTQC-UHFFFAOYSA-N -1 1 288.702 1.317 20 0 CDADMM C[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C[C@H]1F ZINC000824962358 609319378 /nfs/dbraw/zinc/31/93/78/609319378.db2.gz UBEDRXNGVPMWBA-DTWKUNHWSA-N -1 1 262.292 1.446 20 0 CDADMM C[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C[C@H]1F ZINC000824962358 609319379 /nfs/dbraw/zinc/31/93/79/609319379.db2.gz UBEDRXNGVPMWBA-DTWKUNHWSA-N -1 1 262.292 1.446 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H]1F ZINC000824947798 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Cc1cc(C)cc(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001605646531 1163633505 /nfs/dbraw/zinc/63/35/05/1163633505.db2.gz UXDOTRCYPXKOKH-UHFFFAOYSA-N -1 1 297.322 1.388 20 0 CDADMM Cc1cc(NC[C@@H]2CC(C)(C)CO2)cc(-c2nnn[n-]2)n1 ZINC001605732101 1163656256 /nfs/dbraw/zinc/65/62/56/1163656256.db2.gz UDPQLZOAJIBQKP-NSHDSACASA-N -1 1 288.355 1.797 20 0 CDADMM Cc1cc(NC[C@@H]2CC(C)(C)CO2)cc(-c2nn[n-]n2)n1 ZINC001605732101 1163656257 /nfs/dbraw/zinc/65/62/57/1163656257.db2.gz UDPQLZOAJIBQKP-NSHDSACASA-N -1 1 288.355 1.797 20 0 CDADMM Cc1ccc(Cn2ccc(-c3nn[n-]n3)cc2=O)cc1F ZINC001605861390 1163694164 /nfs/dbraw/zinc/69/41/64/1163694164.db2.gz ONUCTEKVQMKNJG-UHFFFAOYSA-N -1 1 285.282 1.524 20 0 CDADMM Cc1ccc(N2CC[C@@H](C3CC3)C2)nc1-c1nnn[n-]1 ZINC001605865026 1163695488 /nfs/dbraw/zinc/69/54/88/1163695488.db2.gz PWQVXKQPXMLYBI-LLVKDONJSA-N -1 1 270.340 1.806 20 0 CDADMM Cc1ccc(N2CC[C@@H](C3CC3)C2)nc1-c1nn[n-]n1 ZINC001605865026 1163695492 /nfs/dbraw/zinc/69/54/92/1163695492.db2.gz PWQVXKQPXMLYBI-LLVKDONJSA-N -1 1 270.340 1.806 20 0 CDADMM CCc1noc([C@H](C)N[C@H]2CCC[C@H]2C(=O)[O-])n1 ZINC001605873748 1163702268 /nfs/dbraw/zinc/70/22/68/1163702268.db2.gz MBXHBTXAVRADTN-YIZRAAEISA-N -1 1 253.302 1.536 20 0 CDADMM CCc1onc(C)c1CNCc1ccc(C(=O)[O-])[nH]1 ZINC001605896926 1163710822 /nfs/dbraw/zinc/71/08/22/1163710822.db2.gz UFTKJUKAMFDURA-UHFFFAOYSA-N -1 1 263.297 1.862 20 0 CDADMM Cc1[nH]nc(NC(=O)c2c(C)cccc2C)c1-c1nn[n-]n1 ZINC001605907742 1163711341 /nfs/dbraw/zinc/71/13/41/1163711341.db2.gz MZPJNNPBHCIUPE-UHFFFAOYSA-N -1 1 297.322 1.767 20 0 CDADMM Cc1cccc(N(C)C(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001605916537 1163712864 /nfs/dbraw/zinc/71/28/64/1163712864.db2.gz LDFGDFCFGKLXMQ-UHFFFAOYSA-N -1 1 284.279 1.440 20 0 CDADMM Cc1cccc(N(C)C(=O)c2coc(-c3nn[n-]n3)c2)n1 ZINC001605916537 1163712872 /nfs/dbraw/zinc/71/28/72/1163712872.db2.gz LDFGDFCFGKLXMQ-UHFFFAOYSA-N -1 1 284.279 1.440 20 0 CDADMM Cc1ccsc1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001605971711 1163731536 /nfs/dbraw/zinc/73/15/36/1163731536.db2.gz DUCFTHJKVQQAPA-UHFFFAOYSA-N -1 1 261.314 1.572 20 0 CDADMM Cc1ccsc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001605971711 1163731541 /nfs/dbraw/zinc/73/15/41/1163731541.db2.gz DUCFTHJKVQQAPA-UHFFFAOYSA-N -1 1 261.314 1.572 20 0 CDADMM Cc1[nH]nc(NCc2ccc(F)cc2F)c1-c1nnn[n-]1 ZINC001606014076 1163744132 /nfs/dbraw/zinc/74/41/32/1163744132.db2.gz PFGDGGSCHUHQKC-UHFFFAOYSA-N -1 1 291.265 1.789 20 0 CDADMM Cc1[nH]nc(NCc2ccc(F)cc2F)c1-c1nn[n-]n1 ZINC001606014076 1163744137 /nfs/dbraw/zinc/74/41/37/1163744137.db2.gz PFGDGGSCHUHQKC-UHFFFAOYSA-N -1 1 291.265 1.789 20 0 CDADMM Cc1nc(N[C@H]2CCC2(C)C)cc(-c2nnn[n-]2)n1 ZINC001606064345 1163761128 /nfs/dbraw/zinc/76/11/28/1163761128.db2.gz XBZFHCRGTNASMY-VIFPVBQESA-N -1 1 259.317 1.566 20 0 CDADMM Cc1nc(N[C@H]2CCC2(C)C)cc(-c2nn[n-]n2)n1 ZINC001606064345 1163761132 /nfs/dbraw/zinc/76/11/32/1163761132.db2.gz XBZFHCRGTNASMY-VIFPVBQESA-N -1 1 259.317 1.566 20 0 CDADMM Cc1n[nH]c(=NOCC(C)C)c(-c2nn[n-]n2)c1C ZINC001606124187 1163780737 /nfs/dbraw/zinc/78/07/37/1163780737.db2.gz KYTFILGWIVQABA-UHFFFAOYSA-N -1 1 263.305 1.273 20 0 CDADMM Cc1nsc(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)c1-c1nnn[n-]1 ZINC001606151331 1163789430 /nfs/dbraw/zinc/78/94/30/1163789430.db2.gz PFAKLHNVKJMRDK-JIGDXULJSA-N -1 1 290.352 1.616 20 0 CDADMM C[N@@H+](Cn1cc(C(=O)[O-])nn1)C1C2CC3CC(C2)CC1C3 ZINC001606179622 1163799798 /nfs/dbraw/zinc/79/97/98/1163799798.db2.gz WWXGVSKPWDLIPJ-UHFFFAOYSA-N -1 1 290.367 1.690 20 0 CDADMM FC(F)c1cc(CNc2nccnc2-c2nnn[n-]2)no1 ZINC001606299896 1163845305 /nfs/dbraw/zinc/84/53/05/1163845305.db2.gz KGEZTYAROSNGCC-UHFFFAOYSA-N -1 1 294.225 1.194 20 0 CDADMM FC(F)c1cc(CNc2nccnc2-c2nn[n-]n2)no1 ZINC001606299896 1163845312 /nfs/dbraw/zinc/84/53/12/1163845312.db2.gz KGEZTYAROSNGCC-UHFFFAOYSA-N -1 1 294.225 1.194 20 0 CDADMM FC1=CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001606299981 1163845326 /nfs/dbraw/zinc/84/53/26/1163845326.db2.gz OVAZJKBMSDOCAJ-UHFFFAOYSA-N -1 1 280.694 1.979 20 0 CDADMM FC1=CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001606299981 1163845330 /nfs/dbraw/zinc/84/53/30/1163845330.db2.gz OVAZJKBMSDOCAJ-UHFFFAOYSA-N -1 1 280.694 1.979 20 0 CDADMM O=C(N[C@H]1CCCC12CC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001606667513 1163953698 /nfs/dbraw/zinc/95/36/98/1163953698.db2.gz PTJPDAPOUPLALZ-NSHDSACASA-N -1 1 284.323 1.324 20 0 CDADMM O=C(N[C@H]1CCCC12CC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001606667513 1163953704 /nfs/dbraw/zinc/95/37/04/1163953704.db2.gz PTJPDAPOUPLALZ-NSHDSACASA-N -1 1 284.323 1.324 20 0 CDADMM CO[C@H](CN1C[C@H](C)O[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001606673427 1163955739 /nfs/dbraw/zinc/95/57/39/1163955739.db2.gz JSONXQMCGYKSBM-YUTCNCBUSA-N -1 1 279.336 1.548 20 0 CDADMM O=C(NC[C@H]1CCC(F)(F)C1)c1ccc(-c2nnn[n-]2)o1 ZINC001606723559 1163970954 /nfs/dbraw/zinc/97/09/54/1163970954.db2.gz QPVWRGVFZAAJDK-ZETCQYMHSA-N -1 1 297.265 1.625 20 0 CDADMM O=C(NC[C@H]1CCC(F)(F)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001606723559 1163970962 /nfs/dbraw/zinc/97/09/62/1163970962.db2.gz QPVWRGVFZAAJDK-ZETCQYMHSA-N -1 1 297.265 1.625 20 0 CDADMM O=C(Nc1cccc(Cl)n1)c1ccc(-c2nnn[n-]2)o1 ZINC001606935514 1164034807 /nfs/dbraw/zinc/03/48/07/1164034807.db2.gz JACMIAYETWEPMZ-UHFFFAOYSA-N -1 1 290.670 1.760 20 0 CDADMM COCc1ccc(CN2CCC([C@H](O)C(=O)[O-])CC2)o1 ZINC001606960150 1164039613 /nfs/dbraw/zinc/03/96/13/1164039613.db2.gz OHKXSACKSZPHNS-ZDUSSCGKSA-N -1 1 283.324 1.084 20 0 CDADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)C1(C(F)F)CC1 ZINC001606978613 1164048062 /nfs/dbraw/zinc/04/80/62/1164048062.db2.gz DWIJHPCSGZSPHK-UHFFFAOYSA-N -1 1 284.222 1.548 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)C1(C(F)F)CC1 ZINC001606978613 1164048068 /nfs/dbraw/zinc/04/80/68/1164048068.db2.gz DWIJHPCSGZSPHK-UHFFFAOYSA-N -1 1 284.222 1.548 20 0 CDADMM c1cc(NC[C@@H]2CCC[C@H]3C[C@H]32)cc(-c2nnn[n-]2)n1 ZINC001607120622 1164103401 /nfs/dbraw/zinc/10/34/01/1164103401.db2.gz GOPXXZHYSNFJAE-JBLDHEPKSA-N -1 1 270.340 1.532 20 0 CDADMM c1cc(NC[C@@H]2CCC[C@H]3C[C@H]32)cc(-c2nn[n-]n2)n1 ZINC001607120622 1164103403 /nfs/dbraw/zinc/10/34/03/1164103403.db2.gz GOPXXZHYSNFJAE-JBLDHEPKSA-N -1 1 270.340 1.532 20 0 CDADMM c1cc2c(s1)CCC[C@H]2Nc1ccnc(-c2nn[n-]n2)n1 ZINC001607120273 1164103693 /nfs/dbraw/zinc/10/36/93/1164103693.db2.gz XTOLCGQEXAICFB-SECBINFHSA-N -1 1 299.363 1.630 20 0 CDADMM c1cc(Oc2cccc3c2OCCO3)nc(-c2nnn[n-]2)c1 ZINC001607126518 1164107714 /nfs/dbraw/zinc/10/77/14/1164107714.db2.gz XNEKLAOQDDFCDA-UHFFFAOYSA-N -1 1 297.274 1.825 20 0 CDADMM c1cc(Oc2cccc3c2OCCO3)nc(-c2nn[n-]n2)c1 ZINC001607126518 1164107719 /nfs/dbraw/zinc/10/77/19/1164107719.db2.gz XNEKLAOQDDFCDA-UHFFFAOYSA-N -1 1 297.274 1.825 20 0 CDADMM c1ccc(NCCNc2cccnc2-c2nn[n-]n2)nc1 ZINC001607130577 1164110017 /nfs/dbraw/zinc/11/00/17/1164110017.db2.gz CSEWSIUFLIIPFK-UHFFFAOYSA-N -1 1 282.311 1.181 20 0 CDADMM c1sc(Cn2nnc3ccccc32)nc1-c1nnn[n-]1 ZINC001607131529 1164110172 /nfs/dbraw/zinc/11/01/72/1164110172.db2.gz FGQOTZCHMHQIJH-UHFFFAOYSA-N -1 1 284.308 1.116 20 0 CDADMM c1sc(Cn2nnc3ccccc32)nc1-c1nn[n-]n1 ZINC001607131529 1164110178 /nfs/dbraw/zinc/11/01/78/1164110178.db2.gz FGQOTZCHMHQIJH-UHFFFAOYSA-N -1 1 284.308 1.116 20 0 CDADMM c1ccc(CCNc2cccnc2-c2nnn[n-]2)cc1 ZINC001607128677 1164111314 /nfs/dbraw/zinc/11/13/14/1164111314.db2.gz REXUTGXCQDYWBF-UHFFFAOYSA-N -1 1 266.308 1.916 20 0 CDADMM c1ccc(CCNc2cccnc2-c2nn[n-]n2)cc1 ZINC001607128677 1164111317 /nfs/dbraw/zinc/11/13/17/1164111317.db2.gz REXUTGXCQDYWBF-UHFFFAOYSA-N -1 1 266.308 1.916 20 0 CDADMM c1ccc2c(c1)CC(Nc1cccnc1-c1nnn[n-]1)C2 ZINC001607131344 1164111440 /nfs/dbraw/zinc/11/14/40/1164111440.db2.gz ABEGWHWGLOFPGF-UHFFFAOYSA-N -1 1 278.319 1.841 20 0 CDADMM c1ccc2c(c1)CC(Nc1cccnc1-c1nn[n-]n1)C2 ZINC001607131344 1164111442 /nfs/dbraw/zinc/11/14/42/1164111442.db2.gz ABEGWHWGLOFPGF-UHFFFAOYSA-N -1 1 278.319 1.841 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@@H]2CCC3(CCC3)O2)c1 ZINC001607133185 1164113249 /nfs/dbraw/zinc/11/32/49/1164113249.db2.gz AFAZOMIRDXNTQZ-JTQLQIEISA-N -1 1 286.339 1.775 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@@H]2CCC3(CCC3)O2)c1 ZINC001607133185 1164113253 /nfs/dbraw/zinc/11/32/53/1164113253.db2.gz AFAZOMIRDXNTQZ-JTQLQIEISA-N -1 1 286.339 1.775 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC[C@@H]2C[C@H]3CCC[C@H]3O2)c1 ZINC001607133176 1164113264 /nfs/dbraw/zinc/11/32/64/1164113264.db2.gz ADZBFORKYFCHIF-JFGNBEQYSA-N -1 1 286.339 1.631 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC[C@@H]2C[C@H]3CCC[C@H]3O2)c1 ZINC001607133176 1164113266 /nfs/dbraw/zinc/11/32/66/1164113266.db2.gz ADZBFORKYFCHIF-JFGNBEQYSA-N -1 1 286.339 1.631 20 0 CDADMM c1nc(NC[C@@H]2CCC3(CCC3)O2)cc(-c2nnn[n-]2)n1 ZINC001607137539 1164116046 /nfs/dbraw/zinc/11/60/46/1164116046.db2.gz UGLVREPUTBZBKF-VIFPVBQESA-N -1 1 287.327 1.170 20 0 CDADMM c1nc(NC[C@@H]2CCC3(CCC3)O2)cc(-c2nn[n-]n2)n1 ZINC001607137539 1164116052 /nfs/dbraw/zinc/11/60/52/1164116052.db2.gz UGLVREPUTBZBKF-VIFPVBQESA-N -1 1 287.327 1.170 20 0 CDADMM COc1nsc(CN(C)C[C@H](C)OC)c1C(=O)[O-] ZINC001607363047 1164160887 /nfs/dbraw/zinc/16/08/87/1164160887.db2.gz MFOWYAGJRRGAGL-ZETCQYMHSA-N -1 1 274.342 1.317 20 0 CDADMM C[C@H](O)CN1CCN(Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC001607461981 1164189270 /nfs/dbraw/zinc/18/92/70/1164189270.db2.gz HKCIBARGLRQHFX-NSHDSACASA-N -1 1 296.342 1.022 20 0 CDADMM C[C@H]1CN(CC(=O)Nc2ccccc2F)C[C@]1(C)C(=O)[O-] ZINC001607475167 1164194976 /nfs/dbraw/zinc/19/49/76/1164194976.db2.gz AQJXOKGSEYXTLL-BONVTDFDSA-N -1 1 294.326 1.807 20 0 CDADMM Cc1cc([C@H](C)N2CCN(CCO)[C@H](C)C2)oc1C(=O)[O-] ZINC001607607892 1164239438 /nfs/dbraw/zinc/23/94/38/1164239438.db2.gz JYNNNGQNONIOCC-NEPJUHHUSA-N -1 1 296.367 1.346 20 0 CDADMM Cc1ccc2nc(CNc3cnc(C(=O)[O-])cn3)[nH]c2c1 ZINC001607828846 1164307959 /nfs/dbraw/zinc/30/79/59/1164307959.db2.gz YEKKRTMOEQTCFS-UHFFFAOYSA-N -1 1 283.291 1.972 20 0 CDADMM Cc1n[nH]nc1C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001607941360 1164346615 /nfs/dbraw/zinc/34/66/15/1164346615.db2.gz RVIFKDYPMTXSSS-JTQLQIEISA-N -1 1 280.328 1.124 20 0 CDADMM O=C([O-])C1(CSc2nc(-c3cccnc3)n[nH]2)CC1 ZINC001608575714 1164552859 /nfs/dbraw/zinc/55/28/59/1164552859.db2.gz NWDCMAWRVCLDOF-UHFFFAOYSA-N -1 1 276.321 1.824 20 0 CDADMM O=C([O-])C=Cc1ccc(C(=O)Nc2ccc3[nH]nnc3c2)o1 ZINC001608659736 1164594450 /nfs/dbraw/zinc/59/44/50/1164594450.db2.gz UCXMYFRZVBZYFS-UTCJRWHESA-N -1 1 298.258 1.901 20 0 CDADMM O=C([O-])c1cc(F)cc(C(=O)N2CC[C@@H](N3CCC3)C2)c1 ZINC001608848135 1164662329 /nfs/dbraw/zinc/66/23/29/1164662329.db2.gz BEISBSYSEWZBBB-CYBMUJFWSA-N -1 1 292.310 1.444 20 0 CDADMM O=C([O-])c1ccc(NC(=O)[C@H]2CCc3[nH]cnc3C2)s1 ZINC001608900393 1164680643 /nfs/dbraw/zinc/68/06/43/1164680643.db2.gz ZCGRHGDHVVSZQB-ZETCQYMHSA-N -1 1 291.332 1.913 20 0 CDADMM O=C([O-])c1cncc(CN[C@H](CO)c2ccccc2)c1 ZINC001608980534 1164703051 /nfs/dbraw/zinc/70/30/51/1164703051.db2.gz FFRRTCWAGHYEGD-CQSZACIVSA-N -1 1 272.304 1.603 20 0 CDADMM CC(C)[C@@H](F)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001609087993 1164761367 /nfs/dbraw/zinc/76/13/67/1164761367.db2.gz JORAGMSEALKNIQ-MRVPVSSYSA-N -1 1 285.304 1.361 20 0 CDADMM CC(C)[C@@H](F)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001609087993 1164761378 /nfs/dbraw/zinc/76/13/78/1164761378.db2.gz JORAGMSEALKNIQ-MRVPVSSYSA-N -1 1 285.304 1.361 20 0 CDADMM C[C@H](CO)CSCc1nc(-c2nnn[n-]2)cs1 ZINC001609114418 1164777483 /nfs/dbraw/zinc/77/74/83/1164777483.db2.gz IERGHYITCZWSKD-ZCFIWIBFSA-N -1 1 271.371 1.185 20 0 CDADMM C[C@H](CO)CSCc1nc(-c2nn[n-]n2)cs1 ZINC001609114418 1164777488 /nfs/dbraw/zinc/77/74/88/1164777488.db2.gz IERGHYITCZWSKD-ZCFIWIBFSA-N -1 1 271.371 1.185 20 0 CDADMM C[C@H]1CCC[C@@H](N(C)c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001609163097 1164808649 /nfs/dbraw/zinc/80/86/49/1164808649.db2.gz RRRAHTLGFBVNTL-VHSXEESVSA-N -1 1 273.344 1.672 20 0 CDADMM C[C@H]1CCC[C@@H](N(C)c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001609163097 1164808657 /nfs/dbraw/zinc/80/86/57/1164808657.db2.gz RRRAHTLGFBVNTL-VHSXEESVSA-N -1 1 273.344 1.672 20 0 CDADMM CCC(C)(C)C(=O)COc1ccc(F)nc1-c1nn[n-]n1 ZINC001609183222 1164824418 /nfs/dbraw/zinc/82/44/18/1164824418.db2.gz XJOPLSWUHBDJMG-UHFFFAOYSA-N -1 1 293.302 1.785 20 0 CDADMM CC[C@H]1[C@H](C)CCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609199375 1164839956 /nfs/dbraw/zinc/83/99/56/1164839956.db2.gz VIUQUSAKEKXSNN-SKDRFNHKSA-N -1 1 286.339 1.522 20 0 CDADMM CC[C@H]1[C@H](C)CCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609199375 1164839960 /nfs/dbraw/zinc/83/99/60/1164839960.db2.gz VIUQUSAKEKXSNN-SKDRFNHKSA-N -1 1 286.339 1.522 20 0 CDADMM CCC[C@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609204982 1164846103 /nfs/dbraw/zinc/84/61/03/1164846103.db2.gz UYFWUBJOCVPSPY-QMMMGPOBSA-N -1 1 263.301 1.720 20 0 CDADMM CCC[C@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609204982 1164846108 /nfs/dbraw/zinc/84/61/08/1164846108.db2.gz UYFWUBJOCVPSPY-QMMMGPOBSA-N -1 1 263.301 1.720 20 0 CDADMM CCO[C@@H]1CCC[C@H]1OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609241595 1164863627 /nfs/dbraw/zinc/86/36/27/1164863627.db2.gz HWTUQWDIYGLUAU-RKDXNWHRSA-N -1 1 292.295 1.574 20 0 CDADMM CCc1ccc(Nc2ncncc2-c2nn[n-]n2)cc1 ZINC001609252812 1164866551 /nfs/dbraw/zinc/86/65/51/1164866551.db2.gz VOWIHMOTPNZFCR-UHFFFAOYSA-N -1 1 267.296 1.963 20 0 CDADMM Cc1nsc(NC(=O)[C@@H](C)C(C)C)c1-c1nnn[n-]1 ZINC001609464701 1164962943 /nfs/dbraw/zinc/96/29/43/1164962943.db2.gz DBMOFPDUECMZCP-LURJTMIESA-N -1 1 280.357 1.862 20 0 CDADMM Cc1nsc(NC(=O)[C@@H](C)C(C)C)c1-c1nn[n-]n1 ZINC001609464701 1164962947 /nfs/dbraw/zinc/96/29/47/1164962947.db2.gz DBMOFPDUECMZCP-LURJTMIESA-N -1 1 280.357 1.862 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@H]1CCSC1 ZINC001609467510 1164965902 /nfs/dbraw/zinc/96/59/02/1164965902.db2.gz JMBOBATZGAUKON-QMMMGPOBSA-N -1 1 293.352 1.251 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@H]1CCSC1 ZINC001609467510 1164965905 /nfs/dbraw/zinc/96/59/05/1164965905.db2.gz JMBOBATZGAUKON-QMMMGPOBSA-N -1 1 293.352 1.251 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H](C2CCC2)C1 ZINC001609581548 1164996856 /nfs/dbraw/zinc/99/68/56/1164996856.db2.gz RHOAYOHESQNNRR-GFCCVEGCSA-N -1 1 298.350 1.524 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H](C2CCC2)C1 ZINC001609581548 1164996861 /nfs/dbraw/zinc/99/68/61/1164996861.db2.gz 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/nfs/dbraw/zinc/00/42/72/1165004272.db2.gz HBXOUNPKJSFLQY-VHSXEESVSA-N -1 1 274.328 1.225 20 0 CDADMM c1ccc(C[C@H]2C[C@@H]2Nc2ncncc2-c2nn[n-]n2)cc1 ZINC001609617175 1165012203 /nfs/dbraw/zinc/01/22/03/1165012203.db2.gz YYVSBIBBKKOLJP-AAEUAGOBSA-N -1 1 293.334 1.700 20 0 CDADMM c1[nH]nc2ccc(NCc3nc(-c4nnn[n-]4)cs3)cc12 ZINC001609615080 1165013493 /nfs/dbraw/zinc/01/34/93/1165013493.db2.gz FWJQNLVTFBQRAD-UHFFFAOYSA-N -1 1 298.335 1.812 20 0 CDADMM c1[nH]nc2ccc(NCc3nc(-c4nn[n-]n4)cs3)cc12 ZINC001609615080 1165013495 /nfs/dbraw/zinc/01/34/95/1165013495.db2.gz FWJQNLVTFBQRAD-UHFFFAOYSA-N -1 1 298.335 1.812 20 0 CDADMM c1nc(-c2nnn[n-]2)cc(N2C[C@@H]3CCCC[C@H]3C2)n1 ZINC001609620231 1165014416 /nfs/dbraw/zinc/01/44/16/1165014416.db2.gz OLLQNHREUOWXFI-UWVGGRQHSA-N -1 1 271.328 1.283 20 0 CDADMM c1nc(-c2nn[n-]n2)cc(N2C[C@@H]3CCCC[C@H]3C2)n1 ZINC001609620231 1165014420 /nfs/dbraw/zinc/01/44/20/1165014420.db2.gz OLLQNHREUOWXFI-UWVGGRQHSA-N -1 1 271.328 1.283 20 0 CDADMM C[C@]1(C(=O)[O-])CCCN(C(=O)c2cnc(C3CC3)[nH]2)C1 ZINC001609809848 1165089243 /nfs/dbraw/zinc/08/92/43/1165089243.db2.gz IUUPLTLPGSSVJI-AWEZNQCLSA-N -1 1 277.324 1.614 20 0 CDADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](n2cncn2)C1 ZINC001609809293 1165089314 /nfs/dbraw/zinc/08/93/14/1165089314.db2.gz YLRKKUIPZWRHLP-VHSXEESVSA-N -1 1 276.296 1.577 20 0 CDADMM C[C@H](c1cnccn1)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001609810237 1165090151 /nfs/dbraw/zinc/09/01/51/1165090151.db2.gz VKVIJIHMLOPEQZ-SNVBAGLBSA-N -1 1 290.323 1.233 20 0 CDADMM CN(CC1CCCCC1)C(=O)CN[C@@H](C(=O)[O-])C1CC1 ZINC001610113803 1165219749 /nfs/dbraw/zinc/21/97/49/1165219749.db2.gz NDRAYGKNJFSLSF-CQSZACIVSA-N -1 1 282.384 1.478 20 0 CDADMM CS(=O)(=O)c1cccc(CN(CC(=O)[O-])C2CC2)c1 ZINC001610377802 1165298954 /nfs/dbraw/zinc/29/89/54/1165298954.db2.gz WJKPNGJDGIUWMH-UHFFFAOYSA-N -1 1 283.349 1.139 20 0 CDADMM Cc1ccc(-c2n[nH]cc2CN[C@H](CF)C(=O)[O-])o1 ZINC001610481083 1165327593 /nfs/dbraw/zinc/32/75/93/1165327593.db2.gz 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/nfs/dbraw/zinc/46/96/21/1165469621.db2.gz ZKUAGVRJBBDIQU-VIFPVBQESA-N -1 1 290.344 1.804 20 0 CDADMM O=C(NCc1nn[n-]n1)c1ccc(Cl)c2occc21 ZINC001614992384 1165550060 /nfs/dbraw/zinc/55/00/60/1165550060.db2.gz OIMWUIQVQRJJCA-UHFFFAOYSA-N -1 1 277.671 1.529 20 0 CDADMM CN(C(=O)c1cccc2cnccc21)c1nn[n-]n1 ZINC001617642387 1165603500 /nfs/dbraw/zinc/60/35/00/1165603500.db2.gz OGTRKIRBHDEYEL-UHFFFAOYSA-N -1 1 254.253 1.025 20 0 CDADMM O=C(Nn1cnnc1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001624014863 1165813634 /nfs/dbraw/zinc/81/36/34/1165813634.db2.gz RBMQLOYMUWHBNQ-UHFFFAOYSA-N -1 1 289.682 1.157 20 0 CDADMM Cc1cc(CNC(=O)c2ccc(F)c([O-])c2)ncn1 ZINC001624453453 1165843069 /nfs/dbraw/zinc/84/30/69/1165843069.db2.gz OSCKOYCBILEFLN-UHFFFAOYSA-N -1 1 261.256 1.560 20 0 CDADMM Cc1nnc(NC(=O)c2ncc3ccccc3c2[O-])[nH]1 ZINC001626841003 1165961591 /nfs/dbraw/zinc/96/15/91/1165961591.db2.gz HEIPDFCHVWIQQD-UHFFFAOYSA-N -1 1 269.264 1.619 20 0 CDADMM Cn1c(=O)oc2c1cccc2NC(=O)c1ccc([O-])cn1 ZINC001630657457 1166221122 /nfs/dbraw/zinc/22/11/22/1166221122.db2.gz FTZBGBVSXGSCTM-UHFFFAOYSA-N -1 1 285.259 1.484 20 0 CDADMM Cc1nc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c(C)o1 ZINC001630784141 1166232637 /nfs/dbraw/zinc/23/26/37/1166232637.db2.gz ZXDNSDHCZWLKKL-LBPRGKRZSA-N -1 1 298.306 1.324 20 0 CDADMM CCC(CC)(NC(=O)c1ccccc1F)c1nn[n-]n1 ZINC000095284792 1166618028 /nfs/dbraw/zinc/61/80/28/1166618028.db2.gz XVHMJFHIUSCYPG-UHFFFAOYSA-N -1 1 277.303 1.784 20 0 CDADMM O=C(Nc1cc([O-])c(F)cc1F)c1cnc2nccn2c1 ZINC001637369929 1166750726 /nfs/dbraw/zinc/75/07/26/1166750726.db2.gz CUZCFGOIWMRYBI-UHFFFAOYSA-N -1 1 290.229 1.965 20 0 CDADMM O=C(Nc1cc([O-])c(F)cc1F)c1csnn1 ZINC001638528094 1166853125 /nfs/dbraw/zinc/85/31/25/1166853125.db2.gz LRGHMCRHZJYSKO-UHFFFAOYSA-N -1 1 257.221 1.774 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1n[nH]c(=O)c2ccccc21 ZINC001638735530 1166868395 /nfs/dbraw/zinc/86/83/95/1166868395.db2.gz MFZFKPCLOPIUDF-UHFFFAOYSA-N -1 1 271.236 1.016 20 0 CDADMM Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCc2ccccc2C1 ZINC001262893650 1167441618 /nfs/dbraw/zinc/44/16/18/1167441618.db2.gz SBHWRJPVSUWOHT-UHFFFAOYSA-N -1 1 296.334 1.474 20 0 CDADMM O=C(NCc1nn[n-]n1)C1(Sc2ccccc2)CC1 ZINC001645627514 1167442193 /nfs/dbraw/zinc/44/21/93/1167442193.db2.gz ZIYHZBZCDDXWRV-UHFFFAOYSA-N -1 1 275.337 1.141 20 0 CDADMM C[C@H](C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)n1cccc1 ZINC001645805623 1167514408 /nfs/dbraw/zinc/51/44/08/1167514408.db2.gz IKNGRKGQNMGLHA-MNOVXSKESA-N -1 1 290.323 1.544 20 0 CDADMM Cn1ccc(C(=O)Nc2cc([O-])c(F)cc2F)cc1=O ZINC001363183946 1167525787 /nfs/dbraw/zinc/52/57/87/1167525787.db2.gz MVXUXERPTVSXHM-UHFFFAOYSA-N -1 1 280.230 1.621 20 0 CDADMM CC(=O)C1(NC(=O)c2ncc3ccccc3c2[O-])CC1 ZINC001647420351 1168672467 /nfs/dbraw/zinc/67/24/67/1168672467.db2.gz DFBUYJKEYUDVHO-UHFFFAOYSA-N -1 1 270.288 1.792 20 0 CDADMM O=C(c1c([O-])cccc1Cl)N1CCSC[C@H]1CO ZINC001647594955 1168905878 /nfs/dbraw/zinc/90/58/78/1168905878.db2.gz RUKORNAMFKHOBV-MRVPVSSYSA-N -1 1 287.768 1.596 20 0 CDADMM CC1(C)C[C@H](C(=O)N2CCC(c3nn[n-]n3)CC2)CCO1 ZINC001647604472 1168921409 /nfs/dbraw/zinc/92/14/09/1168921409.db2.gz FKFFSQQFWQSPGQ-LLVKDONJSA-N -1 1 293.371 1.111 20 0 CDADMM CC1(CN2CCN(c3nc(C(=O)[O-])cs3)CC2)CC1 ZINC001573620318 1170711072 /nfs/dbraw/zinc/71/10/72/1170711072.db2.gz STINHYMQQRFILK-UHFFFAOYSA-N -1 1 281.381 1.763 20 0 CDADMM CN(Cc1ccn(C)n1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001650217627 1170839412 /nfs/dbraw/zinc/83/94/12/1170839412.db2.gz LKCYMQXDANVSDP-UHFFFAOYSA-N -1 1 293.754 1.980 20 0 CDADMM Cc1[nH]nc(C(=O)Nc2ccc3occc(=O)c3c2)c1[O-] ZINC001653935391 1171576781 /nfs/dbraw/zinc/57/67/81/1171576781.db2.gz YCZUMRPINYWRNH-UHFFFAOYSA-N -1 1 285.259 1.782 20 0 CDADMM COc1ccc(CNc2n[nH]cc2-c2nnn[n-]2)c(F)c1 ZINC001580030872 1172326755 /nfs/dbraw/zinc/32/67/55/1172326755.db2.gz LAEHTZMZJCIWLV-UHFFFAOYSA-N -1 1 289.274 1.350 20 0 CDADMM COc1ccc(CNc2n[nH]cc2-c2nn[n-]n2)c(F)c1 ZINC001580030872 1172326764 /nfs/dbraw/zinc/32/67/64/1172326764.db2.gz LAEHTZMZJCIWLV-UHFFFAOYSA-N -1 1 289.274 1.350 20 0 CDADMM CSC1(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001580206004 1172373847 /nfs/dbraw/zinc/37/38/47/1172373847.db2.gz XISOTPSPEYQWLO-UHFFFAOYSA-N -1 1 295.393 1.440 20 0 CDADMM Clc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)s1 ZINC001581746406 1172618893 /nfs/dbraw/zinc/61/88/93/1172618893.db2.gz RXOUZRSNIBTFKK-UHFFFAOYSA-N -1 1 293.743 1.406 20 0 CDADMM Cn1cc(CNc2ccc(-n3ccc(=O)[n-]3)cc2)nn1 ZINC001663007130 1172626667 /nfs/dbraw/zinc/62/66/67/1172626667.db2.gz YVHIFXHBAUCYDZ-UHFFFAOYSA-N -1 1 270.296 1.319 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccsc1Cl ZINC001581909114 1172628642 /nfs/dbraw/zinc/62/86/42/1172628642.db2.gz PVEIZGILEZVLHV-UHFFFAOYSA-N -1 1 295.715 1.049 20 0 CDADMM C[C@H](CSC(F)(F)F)C(=O)Nc1nnn[n-]1 ZINC000080353952 1172923275 /nfs/dbraw/zinc/92/32/75/1172923275.db2.gz IYWMVAVSFQYLTE-GSVOUGTGSA-N -1 1 255.225 1.027 20 0 CDADMM C[C@H](CSC(F)(F)F)C(=O)Nc1nn[n-]n1 ZINC000080353952 1172923282 /nfs/dbraw/zinc/92/32/82/1172923282.db2.gz IYWMVAVSFQYLTE-GSVOUGTGSA-N -1 1 255.225 1.027 20 0 CDADMM CC(C)(O)CCn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001589338755 1173139608 /nfs/dbraw/zinc/13/96/08/1173139608.db2.gz AEGHJFNVHYYUPI-UHFFFAOYSA-N -1 1 299.334 1.343 20 0 CDADMM CC(C)C1(C(=O)OCc2ccc(-c3nnn[n-]3)o2)COC1 ZINC001589490954 1173149089 /nfs/dbraw/zinc/14/90/89/1173149089.db2.gz NPZDQNVRPYGTLV-UHFFFAOYSA-N -1 1 292.295 1.176 20 0 CDADMM CC(C)C1(C(=O)OCc2ccc(-c3nn[n-]n3)o2)COC1 ZINC001589490954 1173149092 /nfs/dbraw/zinc/14/90/92/1173149092.db2.gz NPZDQNVRPYGTLV-UHFFFAOYSA-N -1 1 292.295 1.176 20 0 CDADMM CC(C)CCOCCNc1ncncc1-c1nn[n-]n1 ZINC001589607339 1173163891 /nfs/dbraw/zinc/16/38/91/1173163891.db2.gz SSXDYXPGEVRUHV-UHFFFAOYSA-N -1 1 277.332 1.131 20 0 CDADMM CC(C)c1nn(C)cc1NCc1ccc(-c2nnn[n-]2)o1 ZINC001589777535 1173179372 /nfs/dbraw/zinc/17/93/72/1173179372.db2.gz DYJWOWSCRBCDTF-UHFFFAOYSA-N -1 1 287.327 1.929 20 0 CDADMM CC(C)c1nn(C)cc1NCc1ccc(-c2nn[n-]n2)o1 ZINC001589777535 1173179377 /nfs/dbraw/zinc/17/93/77/1173179377.db2.gz DYJWOWSCRBCDTF-UHFFFAOYSA-N -1 1 287.327 1.929 20 0 CDADMM C[C@H](CC(C)(C)O)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001589796841 1173183232 /nfs/dbraw/zinc/18/32/32/1173183232.db2.gz PNCHNZNQLRRLGZ-SSDOTTSWSA-N -1 1 295.368 1.208 20 0 CDADMM C[C@H](CC(C)(C)O)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001589796841 1173183237 /nfs/dbraw/zinc/18/32/37/1173183237.db2.gz PNCHNZNQLRRLGZ-SSDOTTSWSA-N -1 1 295.368 1.208 20 0 CDADMM C[C@]1(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)C=CCC1 ZINC001590068700 1173244365 /nfs/dbraw/zinc/24/43/65/1173244365.db2.gz NDPPVUKSUZLXOQ-AWEZNQCLSA-N -1 1 284.323 1.234 20 0 CDADMM C[C@]1(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)C=CCC1 ZINC001590068700 1173244367 /nfs/dbraw/zinc/24/43/67/1173244367.db2.gz NDPPVUKSUZLXOQ-AWEZNQCLSA-N -1 1 284.323 1.234 20 0 CDADMM CC1=C[C@@H](C)C[C@H](CNc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001590156698 1173275843 /nfs/dbraw/zinc/27/58/43/1173275843.db2.gz HTJUUMYPURPGKO-SCZZXKLOSA-N -1 1 273.344 1.994 20 0 CDADMM CC1=C[C@@H](C)C[C@H](CNc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001590156698 1173275852 /nfs/dbraw/zinc/27/58/52/1173275852.db2.gz HTJUUMYPURPGKO-SCZZXKLOSA-N -1 1 273.344 1.994 20 0 CDADMM C[C@H]1C[C@@H](C(=O)Nc2ncc(-c3nnn[n-]3)s2)CCO1 ZINC001590184117 1173281052 /nfs/dbraw/zinc/28/10/52/1173281052.db2.gz DVYCAWVHVXCHQX-BQBZGAKWSA-N -1 1 294.340 1.077 20 0 CDADMM C[C@H]1C[C@@H](C(=O)Nc2ncc(-c3nn[n-]n3)s2)CCO1 ZINC001590184117 1173281055 /nfs/dbraw/zinc/28/10/55/1173281055.db2.gz DVYCAWVHVXCHQX-BQBZGAKWSA-N -1 1 294.340 1.077 20 0 CDADMM C[C@H]1CC2(CCC2)CN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590217096 1173295034 /nfs/dbraw/zinc/29/50/34/1173295034.db2.gz ABBUKJOZWAYGJU-JTQLQIEISA-N -1 1 298.350 1.666 20 0 CDADMM C[C@H]1CC2(CCC2)CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590217096 1173295042 /nfs/dbraw/zinc/29/50/42/1173295042.db2.gz ABBUKJOZWAYGJU-JTQLQIEISA-N -1 1 298.350 1.666 20 0 CDADMM C[C@@H]1CCC[C@H](C2CN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001590244389 1173318270 /nfs/dbraw/zinc/31/82/70/1173318270.db2.gz SBFJVIAQZWOFAJ-MNOVXSKESA-N -1 1 299.382 1.919 20 0 CDADMM C[C@@H]1CCC[C@H](C2CN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001590244389 1173318276 /nfs/dbraw/zinc/31/82/76/1173318276.db2.gz SBFJVIAQZWOFAJ-MNOVXSKESA-N -1 1 299.382 1.919 20 0 CDADMM C[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)c2)[C@H]1CCO ZINC001590260866 1173322789 /nfs/dbraw/zinc/32/27/89/1173322789.db2.gz JFKSYSWIFDZWMO-GWCFXTLKSA-N -1 1 288.355 1.249 20 0 CDADMM C[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)c2)[C@H]1CCO ZINC001590260866 1173322799 /nfs/dbraw/zinc/32/27/99/1173322799.db2.gz JFKSYSWIFDZWMO-GWCFXTLKSA-N -1 1 288.355 1.249 20 0 CDADMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)ncn2)CC1(C)C ZINC001590276314 1173336035 /nfs/dbraw/zinc/33/60/35/1173336035.db2.gz LZPTYNCOEAVBBY-SECBINFHSA-N -1 1 273.344 1.529 20 0 CDADMM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)ncn2)CC1(C)C ZINC001590276314 1173336044 /nfs/dbraw/zinc/33/60/44/1173336044.db2.gz LZPTYNCOEAVBBY-SECBINFHSA-N -1 1 273.344 1.529 20 0 CDADMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)ncn2)CC(C)(C)C1 ZINC001590314194 1173352998 /nfs/dbraw/zinc/35/29/98/1173352998.db2.gz QRILTWYNXSASEA-VIFPVBQESA-N -1 1 273.344 1.529 20 0 CDADMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)ncn2)CC(C)(C)C1 ZINC001590314194 1173353006 /nfs/dbraw/zinc/35/30/06/1173353006.db2.gz QRILTWYNXSASEA-VIFPVBQESA-N -1 1 273.344 1.529 20 0 CDADMM C[C@H]1OCC[C@H]1C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001590339950 1173367624 /nfs/dbraw/zinc/36/76/24/1173367624.db2.gz XMTWAXLTTMGKOR-VXNVDRBHSA-N -1 1 294.336 1.396 20 0 CDADMM C/C=C/COC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590352669 1173371091 /nfs/dbraw/zinc/37/10/91/1173371091.db2.gz CUBXIJIWDVWPBG-NSCUHMNNSA-N -1 1 262.244 1.739 20 0 CDADMM C/C=C/COC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590352669 1173371097 /nfs/dbraw/zinc/37/10/97/1173371097.db2.gz CUBXIJIWDVWPBG-NSCUHMNNSA-N -1 1 262.244 1.739 20 0 CDADMM CCC(=O)CNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001590360051 1173372665 /nfs/dbraw/zinc/37/26/65/1173372665.db2.gz QZCKDEUHUVSJKO-UHFFFAOYSA-N -1 1 298.306 1.057 20 0 CDADMM CC[C@@H](F)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001590456755 1173415900 /nfs/dbraw/zinc/41/59/00/1173415900.db2.gz PVZLWJFAWTWWKN-SSDOTTSWSA-N -1 1 265.248 1.259 20 0 CDADMM CC[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001590472514 1173425151 /nfs/dbraw/zinc/42/51/51/1173425151.db2.gz FASSXVMRXVQKHM-WPRPVWTQSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC001590472514 1173425147 /nfs/dbraw/zinc/42/51/47/1173425147.db2.gz FASSXVMRXVQKHM-WPRPVWTQSA-N -1 1 275.316 1.026 20 0 CDADMM CC[C@@H](O)CCCNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001590474717 1173426885 /nfs/dbraw/zinc/42/68/85/1173426885.db2.gz DGDYYXCXSYIJNP-SNVBAGLBSA-N -1 1 276.344 1.533 20 0 CDADMM CC[C@@H](O)CCCNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001590474717 1173426893 /nfs/dbraw/zinc/42/68/93/1173426893.db2.gz DGDYYXCXSYIJNP-SNVBAGLBSA-N -1 1 276.344 1.533 20 0 CDADMM CC[C@@H]1CCC[C@H]1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001590508689 1173442798 /nfs/dbraw/zinc/44/27/98/1173442798.db2.gz OVURAXAROFPYHS-HTQZYQBOSA-N -1 1 275.316 1.112 20 0 CDADMM CC[C@H]1CCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001590517699 1173446564 /nfs/dbraw/zinc/44/65/64/1173446564.db2.gz PKTGAGBZKPUDDL-YFKPBYRVSA-N -1 1 270.749 1.965 20 0 CDADMM CC[C@H]1CCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001590517699 1173446566 /nfs/dbraw/zinc/44/65/66/1173446566.db2.gz PKTGAGBZKPUDDL-YFKPBYRVSA-N -1 1 270.749 1.965 20 0 CDADMM CCC1CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590514712 1173446774 /nfs/dbraw/zinc/44/67/74/1173446774.db2.gz LWVJIAYSXMGXSN-UHFFFAOYSA-N -1 1 286.339 1.524 20 0 CDADMM CCC1CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590514712 1173446779 /nfs/dbraw/zinc/44/67/79/1173446779.db2.gz LWVJIAYSXMGXSN-UHFFFAOYSA-N -1 1 286.339 1.524 20 0 CDADMM CC[C@@H]1CN(c2ncncc2-c2nn[n-]n2)C[C@H](CC)O1 ZINC001590524754 1173451162 /nfs/dbraw/zinc/45/11/62/1173451162.db2.gz SFEGFVNWBLCLJJ-AOOOYVTPSA-N -1 1 289.343 1.051 20 0 CDADMM CCCN(CC1CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001590622022 1173478605 /nfs/dbraw/zinc/47/86/05/1173478605.db2.gz BYAANZUKIJEULO-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CCCc1cncc(Oc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001590659377 1173485114 /nfs/dbraw/zinc/48/51/14/1173485114.db2.gz ICYVAAZPABOROD-UHFFFAOYSA-N -1 1 283.295 1.797 20 0 CDADMM CCCc1cncc(Oc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001590659377 1173485119 /nfs/dbraw/zinc/48/51/19/1173485119.db2.gz ICYVAAZPABOROD-UHFFFAOYSA-N -1 1 283.295 1.797 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H]2C(C)C)n1 ZINC001590906223 1173538168 /nfs/dbraw/zinc/53/81/68/1173538168.db2.gz AKTKTKIOZDCVMF-LLVKDONJSA-N -1 1 287.371 1.844 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H]2C(C)C)n1 ZINC001590906223 1173538174 /nfs/dbraw/zinc/53/81/74/1173538174.db2.gz AKTKTKIOZDCVMF-LLVKDONJSA-N -1 1 287.371 1.844 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](C)[C@H]2C)n1 ZINC001590905844 1173538438 /nfs/dbraw/zinc/53/84/38/1173538438.db2.gz ORBINAYJYARJQD-DTWKUNHWSA-N -1 1 273.344 1.454 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](C)[C@H]2C)n1 ZINC001590905844 1173538444 /nfs/dbraw/zinc/53/84/44/1173538444.db2.gz ORBINAYJYARJQD-DTWKUNHWSA-N -1 1 273.344 1.454 20 0 CDADMM CCc1cnccc1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590902217 1173539308 /nfs/dbraw/zinc/53/93/08/1173539308.db2.gz YLGKTJKATDNGLL-UHFFFAOYSA-N -1 1 298.306 1.347 20 0 CDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3CCC[C@@H]3C2)n1 ZINC001590908812 1173541649 /nfs/dbraw/zinc/54/16/49/1173541649.db2.gz POWZVRFAGNERNT-AOOOYVTPSA-N -1 1 285.355 1.455 20 0 CDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3CCC[C@@H]3C2)n1 ZINC001590908812 1173541655 /nfs/dbraw/zinc/54/16/55/1173541655.db2.gz POWZVRFAGNERNT-AOOOYVTPSA-N -1 1 285.355 1.455 20 0 CDADMM CCc1nc(NC[C@@H]2CCCCO2)cc(-c2nnn[n-]2)n1 ZINC001590919382 1173544250 /nfs/dbraw/zinc/54/42/50/1173544250.db2.gz PIEBUARDZJTASW-VIFPVBQESA-N -1 1 289.343 1.200 20 0 CDADMM CCc1nc(NC[C@@H]2CCCCO2)cc(-c2nn[n-]n2)n1 ZINC001590919382 1173544257 /nfs/dbraw/zinc/54/42/57/1173544257.db2.gz PIEBUARDZJTASW-VIFPVBQESA-N -1 1 289.343 1.200 20 0 CDADMM CCc1noc(C)c1CNc1ncncc1-c1nn[n-]n1 ZINC001590934734 1173547911 /nfs/dbraw/zinc/54/79/11/1173547911.db2.gz WQLJTILZHOXFEI-UHFFFAOYSA-N -1 1 286.299 1.128 20 0 CDADMM CN(C)C(=O)CSCc1ccc(-c2nn[n-]n2)s1 ZINC001591003898 1173559820 /nfs/dbraw/zinc/55/98/20/1173559820.db2.gz MFZFAXMUTUNTAM-UHFFFAOYSA-N -1 1 283.382 1.250 20 0 CDADMM CN(CCC1CC1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591064209 1173569439 /nfs/dbraw/zinc/56/94/39/1173569439.db2.gz FNHWVHKBGIJLTQ-UHFFFAOYSA-N -1 1 287.327 1.526 20 0 CDADMM CN(CCC1CC1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591064209 1173569450 /nfs/dbraw/zinc/56/94/50/1173569450.db2.gz FNHWVHKBGIJLTQ-UHFFFAOYSA-N -1 1 287.327 1.526 20 0 CDADMM CN(Cc1nccs1)c1cccnc1-c1nnn[n-]1 ZINC001591152702 1173582572 /nfs/dbraw/zinc/58/25/72/1173582572.db2.gz JPFIBRNTZVWRAB-UHFFFAOYSA-N -1 1 273.325 1.355 20 0 CDADMM CN(Cc1nccs1)c1cccnc1-c1nn[n-]n1 ZINC001591152702 1173582579 /nfs/dbraw/zinc/58/25/79/1173582579.db2.gz JPFIBRNTZVWRAB-UHFFFAOYSA-N -1 1 273.325 1.355 20 0 CDADMM CO[C@@H]1CC[C@@H](OC(=O)c2cc(-c3nn[n-]n3)oc2C)C1 ZINC001591351113 1173623168 /nfs/dbraw/zinc/62/31/68/1173623168.db2.gz KDLXJHGMABAFHG-RKDXNWHRSA-N -1 1 292.295 1.492 20 0 CDADMM CO[C@@H]1CC[C@@H](OC(=O)c2cc(-c3nnn[n-]3)oc2C)C1 ZINC001591351113 1173623160 /nfs/dbraw/zinc/62/31/60/1173623160.db2.gz KDLXJHGMABAFHG-RKDXNWHRSA-N -1 1 292.295 1.492 20 0 CDADMM CO[C@@H]1CCCN(C(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001591354439 1173624286 /nfs/dbraw/zinc/62/42/86/1173624286.db2.gz OBLIYGJDRCEKSB-SNVBAGLBSA-N -1 1 291.311 1.101 20 0 CDADMM CO[C@@H]1CCCN(C(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001591354439 1173624291 /nfs/dbraw/zinc/62/42/91/1173624291.db2.gz OBLIYGJDRCEKSB-SNVBAGLBSA-N -1 1 291.311 1.101 20 0 CDADMM CO[C@H]1CCC[C@H](OC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001591357243 1173628866 /nfs/dbraw/zinc/62/88/66/1173628866.db2.gz VUKNIKONAKYEFW-IUCAKERBSA-N -1 1 292.295 1.574 20 0 CDADMM COCC(C)(C)CNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001591369844 1173632973 /nfs/dbraw/zinc/63/29/73/1173632973.db2.gz YYACTQQSUAQBTH-UHFFFAOYSA-N -1 1 276.344 1.655 20 0 CDADMM COCC(C)(C)CNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001591369844 1173632980 /nfs/dbraw/zinc/63/29/80/1173632980.db2.gz YYACTQQSUAQBTH-UHFFFAOYSA-N -1 1 276.344 1.655 20 0 CDADMM COCC[C@H](C)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001591399217 1173648367 /nfs/dbraw/zinc/64/83/67/1173648367.db2.gz PGLCBCBHVAHLFO-ZETCQYMHSA-N -1 1 281.341 1.083 20 0 CDADMM COCC[C@H](C)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001591399217 1173648374 /nfs/dbraw/zinc/64/83/74/1173648374.db2.gz PGLCBCBHVAHLFO-ZETCQYMHSA-N -1 1 281.341 1.083 20 0 CDADMM CO[C@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001591473540 1173659138 /nfs/dbraw/zinc/65/91/38/1173659138.db2.gz LMQJZSXXSHIRIM-SCSAIBSYSA-N -1 1 274.737 1.423 20 0 CDADMM CO[C@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001591473540 1173659140 /nfs/dbraw/zinc/65/91/40/1173659140.db2.gz LMQJZSXXSHIRIM-SCSAIBSYSA-N -1 1 274.737 1.423 20 0 CDADMM C[C@H](NS(=O)(=O)c1ccsc1-c1nn[n-]n1)C1CC1 ZINC001591771240 1173698568 /nfs/dbraw/zinc/69/85/68/1173698568.db2.gz ZMFQAKUPJBYMJP-LURJTMIESA-N -1 1 299.381 1.005 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@]3(CC3(F)F)C2)n1 ZINC001591887027 1173738766 /nfs/dbraw/zinc/73/87/66/1173738766.db2.gz WEQYXIAUHUQSBW-LLVKDONJSA-N -1 1 293.281 1.201 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@]3(CC3(F)F)C2)n1 ZINC001591887027 1173738776 /nfs/dbraw/zinc/73/87/76/1173738776.db2.gz WEQYXIAUHUQSBW-LLVKDONJSA-N -1 1 293.281 1.201 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](O)CC(C)(C)C)n1 ZINC001591894505 1173742808 /nfs/dbraw/zinc/74/28/08/1173742808.db2.gz JGEJMQVSOOONQX-SECBINFHSA-N -1 1 291.359 1.174 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](O)CC(C)(C)C)n1 ZINC001591894505 1173742812 /nfs/dbraw/zinc/74/28/12/1173742812.db2.gz JGEJMQVSOOONQX-SECBINFHSA-N -1 1 291.359 1.174 20 0 CDADMM Cc1cc(COC(=O)c2ccc(-c3nn[n-]n3)o2)ns1 ZINC001591971535 1173762691 /nfs/dbraw/zinc/76/26/91/1173762691.db2.gz SCAXPXIELWDLOX-UHFFFAOYSA-N -1 1 291.292 1.582 20 0 CDADMM Cc1cc(N2CCSCC2)cc(-c2nnn[n-]2)n1 ZINC001592009075 1173771105 /nfs/dbraw/zinc/77/11/05/1173771105.db2.gz RWKWNZADRBNSGW-UHFFFAOYSA-N -1 1 262.342 1.123 20 0 CDADMM Cc1cc(N2CCSCC2)cc(-c2nn[n-]n2)n1 ZINC001592009075 1173771106 /nfs/dbraw/zinc/77/11/06/1173771106.db2.gz RWKWNZADRBNSGW-UHFFFAOYSA-N -1 1 262.342 1.123 20 0 CDADMM Cc1cc(N2CCC[C@H]2C[C@H](C)O)cc(-c2nnn[n-]2)n1 ZINC001592006954 1173771782 /nfs/dbraw/zinc/77/17/82/1173771782.db2.gz QCOYTSKTHNEZPH-QWRGUYRKSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1cc(N2CCC[C@H]2C[C@H](C)O)cc(-c2nn[n-]n2)n1 ZINC001592006954 1173771785 /nfs/dbraw/zinc/77/17/85/1173771785.db2.gz QCOYTSKTHNEZPH-QWRGUYRKSA-N -1 1 288.355 1.310 20 0 CDADMM Cc1cc(CNc2cc(C)nc(-c3nnn[n-]3)c2)n(C)n1 ZINC001592052366 1173785852 /nfs/dbraw/zinc/78/58/52/1173785852.db2.gz GRXBGABPILKCFU-UHFFFAOYSA-N -1 1 284.327 1.224 20 0 CDADMM Cc1cc(CNc2cc(C)nc(-c3nn[n-]n3)c2)n(C)n1 ZINC001592052366 1173785858 /nfs/dbraw/zinc/78/58/58/1173785858.db2.gz GRXBGABPILKCFU-UHFFFAOYSA-N -1 1 284.327 1.224 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@@H](n2cccn2)C1 ZINC001592111048 1173802371 /nfs/dbraw/zinc/80/23/71/1173802371.db2.gz ZEXYQDDVVDPWCF-LLVKDONJSA-N -1 1 296.338 1.218 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H]1C[C@H](C)O[C@@H]1C ZINC001592114018 1173804857 /nfs/dbraw/zinc/80/48/57/1173804857.db2.gz MDYSOGQOSUXPTJ-AXFHLTTASA-N -1 1 288.355 1.796 20 0 CDADMM Cc1ccc(CN(C)c2cc(C)cc(-c3nnn[n-]3)n2)nc1 ZINC001592152276 1173812339 /nfs/dbraw/zinc/81/23/39/1173812339.db2.gz IQZLPOTZAOEXKT-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccc(CN(C)c2cc(C)cc(-c3nn[n-]n3)n2)nc1 ZINC001592152276 1173812346 /nfs/dbraw/zinc/81/23/46/1173812346.db2.gz IQZLPOTZAOEXKT-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1ccc(CCNc2ccc(C)nc2-c2nnn[n-]2)nc1 ZINC001592151248 1173812958 /nfs/dbraw/zinc/81/29/58/1173812958.db2.gz KWZJBUVHQWFHEI-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(CCNc2ccc(C)nc2-c2nn[n-]n2)nc1 ZINC001592151248 1173812961 /nfs/dbraw/zinc/81/29/61/1173812961.db2.gz KWZJBUVHQWFHEI-UHFFFAOYSA-N -1 1 295.350 1.928 20 0 CDADMM Cc1ccc(NCC[C@H](C)CCO)c(-c2nnn[n-]2)n1 ZINC001592183037 1173826789 /nfs/dbraw/zinc/82/67/89/1173826789.db2.gz JORDMEQDFULEBB-VIFPVBQESA-N -1 1 276.344 1.391 20 0 CDADMM Cc1ccc(OCCCn2cc(-c3nn[n-]n3)nn2)cc1C ZINC001592187990 1173830460 /nfs/dbraw/zinc/83/04/60/1173830460.db2.gz IIPXJJUXZGXLPL-UHFFFAOYSA-N -1 1 299.338 1.544 20 0 CDADMM Cc1ccccc1[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001592251338 1173835685 /nfs/dbraw/zinc/83/56/85/1173835685.db2.gz HVYIFGHYEYMDSI-GFCCVEGCSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1ccccc1[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001592251338 1173835688 /nfs/dbraw/zinc/83/56/88/1173835688.db2.gz HVYIFGHYEYMDSI-GFCCVEGCSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1[nH]nc(NC(=O)[C@@H](C)C(C)(C)C)c1-c1nn[n-]n1 ZINC001592328500 1173856920 /nfs/dbraw/zinc/85/69/20/1173856920.db2.gz VJYUHHRDLKFMRI-ZCFIWIBFSA-N -1 1 277.332 1.519 20 0 CDADMM Cc1[nH]nc(NCc2cnc(C3CC3)o2)c1-c1nnn[n-]1 ZINC001592331120 1173857623 /nfs/dbraw/zinc/85/76/23/1173857623.db2.gz QXJUVLGWEZLSMC-UHFFFAOYSA-N -1 1 286.299 1.376 20 0 CDADMM Cc1[nH]nc(NCc2cnc(C3CC3)o2)c1-c1nn[n-]n1 ZINC001592331120 1173857631 /nfs/dbraw/zinc/85/76/31/1173857631.db2.gz QXJUVLGWEZLSMC-UHFFFAOYSA-N -1 1 286.299 1.376 20 0 CDADMM Cc1nc(NC(=O)c2ccsc2-c2nnn[n-]2)oc1C ZINC001592377253 1173872896 /nfs/dbraw/zinc/87/28/96/1173872896.db2.gz OWBJYULSDOYMOP-UHFFFAOYSA-N -1 1 290.308 1.785 20 0 CDADMM Cc1nc(NC(=O)c2ccsc2-c2nn[n-]n2)oc1C ZINC001592377253 1173872899 /nfs/dbraw/zinc/87/28/99/1173872899.db2.gz OWBJYULSDOYMOP-UHFFFAOYSA-N -1 1 290.308 1.785 20 0 CDADMM Cc1nc(NCCC(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001592390314 1173879587 /nfs/dbraw/zinc/87/95/87/1173879587.db2.gz ZWFPBCZNELPRHE-UHFFFAOYSA-N -1 1 273.222 1.329 20 0 CDADMM Cc1nc(NCCC(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001592390314 1173879589 /nfs/dbraw/zinc/87/95/89/1173879589.db2.gz ZWFPBCZNELPRHE-UHFFFAOYSA-N -1 1 273.222 1.329 20 0 CDADMM Cc1nccc(Oc2cccnc2-c2nnn[n-]2)n1 ZINC001592416189 1173884874 /nfs/dbraw/zinc/88/48/74/1173884874.db2.gz BODCLGIJYKBDNN-UHFFFAOYSA-N -1 1 255.241 1.152 20 0 CDADMM Cc1nccc(Oc2cccnc2-c2nn[n-]n2)n1 ZINC001592416189 1173884879 /nfs/dbraw/zinc/88/48/79/1173884879.db2.gz BODCLGIJYKBDNN-UHFFFAOYSA-N -1 1 255.241 1.152 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCCO[C@@H](C)C1 ZINC001592499544 1173905913 /nfs/dbraw/zinc/90/59/13/1173905913.db2.gz NVGMGJWTKGJNLI-QMMMGPOBSA-N -1 1 291.311 1.019 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCCO[C@@H](C)C1 ZINC001592499544 1173905921 /nfs/dbraw/zinc/90/59/21/1173905921.db2.gz NVGMGJWTKGJNLI-QMMMGPOBSA-N -1 1 291.311 1.019 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC1(C)CC=CC1 ZINC001592500123 1173908342 /nfs/dbraw/zinc/90/83/42/1173908342.db2.gz UQRROMKGKJZKLL-UHFFFAOYSA-N -1 1 273.296 1.607 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC1(C)CC=CC1 ZINC001592500123 1173908347 /nfs/dbraw/zinc/90/83/47/1173908347.db2.gz UQRROMKGKJZKLL-UHFFFAOYSA-N -1 1 273.296 1.607 20 0 CDADMM ClC1(Cl)C[C@H]1CCn1ccnc1-c1nnn[n-]1 ZINC001592523431 1173911985 /nfs/dbraw/zinc/91/19/85/1173911985.db2.gz AVUHCCPCXNKWPD-ZCFIWIBFSA-N -1 1 273.127 1.647 20 0 CDADMM ClC1(Cl)C[C@H]1CCn1ccnc1-c1nn[n-]n1 ZINC001592523431 1173911988 /nfs/dbraw/zinc/91/19/88/1173911988.db2.gz AVUHCCPCXNKWPD-ZCFIWIBFSA-N -1 1 273.127 1.647 20 0 CDADMM Fc1cc(F)cc(Oc2nnccc2-c2nnn[n-]2)c1 ZINC001592642439 1173950441 /nfs/dbraw/zinc/95/04/41/1173950441.db2.gz UZYYDRZORLTLMO-UHFFFAOYSA-N -1 1 276.206 1.727 20 0 CDADMM Fc1cc(F)cc(Oc2nnccc2-c2nn[n-]n2)c1 ZINC001592642439 1173950444 /nfs/dbraw/zinc/95/04/44/1173950444.db2.gz UZYYDRZORLTLMO-UHFFFAOYSA-N -1 1 276.206 1.727 20 0 CDADMM Fc1cccc(CCn2ccnc2-c2nnn[n-]2)c1 ZINC001592656251 1173956009 /nfs/dbraw/zinc/95/60/09/1173956009.db2.gz PBGIJGYPFDRONT-UHFFFAOYSA-N -1 1 258.260 1.445 20 0 CDADMM Fc1cccc(CCn2ccnc2-c2nn[n-]n2)c1 ZINC001592656251 1173956014 /nfs/dbraw/zinc/95/60/14/1173956014.db2.gz PBGIJGYPFDRONT-UHFFFAOYSA-N -1 1 258.260 1.445 20 0 CDADMM O=C(N[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1coc(-c2nnn[n-]2)c1 ZINC001592970424 1174008588 /nfs/dbraw/zinc/00/85/88/1174008588.db2.gz UMGGHCXCJNWDLV-RNLVFQAGSA-N -1 1 295.249 1.233 20 0 CDADMM O=C(N[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1coc(-c2nn[n-]n2)c1 ZINC001592970424 1174008595 /nfs/dbraw/zinc/00/85/95/1174008595.db2.gz UMGGHCXCJNWDLV-RNLVFQAGSA-N -1 1 295.249 1.233 20 0 CDADMM O=C(NC[C@]12C[C@H]1CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001593021493 1174012170 /nfs/dbraw/zinc/01/21/70/1174012170.db2.gz IALAIWXQRVPLOE-ABAIWWIYSA-N -1 1 298.350 1.572 20 0 CDADMM O=C(NC[C@]12C[C@H]1CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001593021493 1174012173 /nfs/dbraw/zinc/01/21/73/1174012173.db2.gz IALAIWXQRVPLOE-ABAIWWIYSA-N -1 1 298.350 1.572 20 0 CDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)C1=CCCC1 ZINC001593132893 1174023859 /nfs/dbraw/zinc/02/38/59/1174023859.db2.gz BWFWYOGXEDAILV-UHFFFAOYSA-N -1 1 275.337 1.655 20 0 CDADMM O=C(NOCCC1CC1)c1csc(-c2nn[n-]n2)c1 ZINC001593169003 1174028957 /nfs/dbraw/zinc/02/89/57/1174028957.db2.gz IOOGFPUEZFEAIQ-UHFFFAOYSA-N -1 1 279.325 1.390 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cccc(C2CC2)c1 ZINC001593199609 1174031228 /nfs/dbraw/zinc/03/12/28/1174031228.db2.gz OMTRIIULZABZEH-UHFFFAOYSA-N -1 1 295.306 1.720 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cccc(C2CC2)c1 ZINC001593199609 1174031235 /nfs/dbraw/zinc/03/12/35/1174031235.db2.gz OMTRIIULZABZEH-UHFFFAOYSA-N -1 1 295.306 1.720 20 0 CDADMM O=C(OCc1cccs1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593301876 1174061317 /nfs/dbraw/zinc/06/13/17/1174061317.db2.gz RGSVRSLRBGFZLG-UHFFFAOYSA-N -1 1 287.304 1.680 20 0 CDADMM O=C(OCc1cccs1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593301876 1174061322 /nfs/dbraw/zinc/06/13/22/1174061322.db2.gz RGSVRSLRBGFZLG-UHFFFAOYSA-N -1 1 287.304 1.680 20 0 CDADMM O=c1ccc(-c2nn[n-]n2)cn1CCCC1CCCC1 ZINC001593496278 1174086840 /nfs/dbraw/zinc/08/68/40/1174086840.db2.gz GBUVWQWHJKSLLZ-UHFFFAOYSA-N -1 1 273.340 1.999 20 0 CDADMM O[C@@H]1Cc2ccccc2[C@@H]1Nc1cccnc1-c1nnn[n-]1 ZINC001593520259 1174098136 /nfs/dbraw/zinc/09/81/36/1174098136.db2.gz DVNVSAIYOUODIM-OLZOCXBDSA-N -1 1 294.318 1.332 20 0 CDADMM O[C@@H]1Cc2ccccc2[C@@H]1Nc1cccnc1-c1nn[n-]n1 ZINC001593520259 1174098143 /nfs/dbraw/zinc/09/81/43/1174098143.db2.gz DVNVSAIYOUODIM-OLZOCXBDSA-N -1 1 294.318 1.332 20 0 CDADMM c1cc(NC[C@@H]2C[C@@H]3CCC[C@H]3O2)nc(-c2nnn[n-]2)c1 ZINC001593558428 1174133586 /nfs/dbraw/zinc/13/35/86/1174133586.db2.gz MUHVNMCWCKQOSD-JBLDHEPKSA-N -1 1 286.339 1.631 20 0 CDADMM c1cc(NC[C@@H]2C[C@@H]3CCC[C@H]3O2)nc(-c2nn[n-]n2)c1 ZINC001593558428 1174133591 /nfs/dbraw/zinc/13/35/91/1174133591.db2.gz MUHVNMCWCKQOSD-JBLDHEPKSA-N -1 1 286.339 1.631 20 0 CDADMM c1cc(N2C[C@@H]3CCCC[C@@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001593557924 1174134224 /nfs/dbraw/zinc/13/42/24/1174134224.db2.gz CJYIWEIAWREGHH-PHIMTYICSA-N -1 1 270.340 1.888 20 0 CDADMM c1cc(N2C[C@@H]3CCCC[C@@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001593557924 1174134228 /nfs/dbraw/zinc/13/42/28/1174134228.db2.gz CJYIWEIAWREGHH-PHIMTYICSA-N -1 1 270.340 1.888 20 0 CDADMM c1cc(Sc2ccnc(-c3nn[n-]n3)n2)ccn1 ZINC001593562971 1174137776 /nfs/dbraw/zinc/13/77/76/1174137776.db2.gz UWPKWSLMNKQPJO-UHFFFAOYSA-N -1 1 257.282 1.203 20 0 CDADMM c1cc2cc(NCc3nc(-c4nnn[n-]4)cs3)ncc2[nH]1 ZINC001593564609 1174140113 /nfs/dbraw/zinc/14/01/13/1174140113.db2.gz LQHMPAWRDXRTBM-UHFFFAOYSA-N -1 1 298.335 1.812 20 0 CDADMM c1cc2cc(NCc3nc(-c4nn[n-]n4)cs3)ncc2[nH]1 ZINC001593564609 1174140117 /nfs/dbraw/zinc/14/01/17/1174140117.db2.gz LQHMPAWRDXRTBM-UHFFFAOYSA-N -1 1 298.335 1.812 20 0 CDADMM c1cc2c(c(CNc3cncc(-c4nnn[n-]4)n3)c1)OCC2 ZINC001593567457 1174143002 /nfs/dbraw/zinc/14/30/02/1174143002.db2.gz ZDMNIIVYHYSJEP-UHFFFAOYSA-N -1 1 295.306 1.204 20 0 CDADMM c1cc2c(c(CNc3cncc(-c4nn[n-]n4)n3)c1)OCC2 ZINC001593567457 1174143008 /nfs/dbraw/zinc/14/30/08/1174143008.db2.gz ZDMNIIVYHYSJEP-UHFFFAOYSA-N -1 1 295.306 1.204 20 0 CDADMM c1ccc(COCCNc2cccnc2-c2nnn[n-]2)cc1 ZINC001593574336 1174146183 /nfs/dbraw/zinc/14/61/83/1174146183.db2.gz QOJORLCMHGVVPD-UHFFFAOYSA-N -1 1 296.334 1.890 20 0 CDADMM c1ccc(COCCNc2cccnc2-c2nn[n-]n2)cc1 ZINC001593574336 1174146189 /nfs/dbraw/zinc/14/61/89/1174146189.db2.gz QOJORLCMHGVVPD-UHFFFAOYSA-N -1 1 296.334 1.890 20 0 CDADMM c1cncc([C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001593587451 1174152675 /nfs/dbraw/zinc/15/26/75/1174152675.db2.gz HCWCWZMKQGVCDY-LLVKDONJSA-N -1 1 294.322 1.046 20 0 CDADMM c1cncc([C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001593587451 1174152677 /nfs/dbraw/zinc/15/26/77/1174152677.db2.gz HCWCWZMKQGVCDY-LLVKDONJSA-N -1 1 294.322 1.046 20 0 CDADMM c1cncc(CCNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001593587974 1174154845 /nfs/dbraw/zinc/15/48/45/1174154845.db2.gz QBUKKJZADFUQHG-UHFFFAOYSA-N -1 1 267.296 1.311 20 0 CDADMM c1cncc(CCNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001593587974 1174154847 /nfs/dbraw/zinc/15/48/47/1174154847.db2.gz QBUKKJZADFUQHG-UHFFFAOYSA-N -1 1 267.296 1.311 20 0 CDADMM c1coc(C2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001593589667 1174155818 /nfs/dbraw/zinc/15/58/18/1174155818.db2.gz KYKRVQUCSZEOJA-UHFFFAOYSA-N -1 1 298.310 1.029 20 0 CDADMM c1coc(C2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001593589667 1174155823 /nfs/dbraw/zinc/15/58/23/1174155823.db2.gz KYKRVQUCSZEOJA-UHFFFAOYSA-N -1 1 298.310 1.029 20 0 CDADMM c1nc(-c2nn[n-]n2)nn1C[C@H]1CC2CCC1CC2 ZINC001593590295 1174156724 /nfs/dbraw/zinc/15/67/24/1174156724.db2.gz NMHWCKKFKKHTCK-UDNWOFFPSA-N -1 1 259.317 1.285 20 0 CDADMM CCCOc1cccc(CN[C@H](CF)C(=O)[O-])c1 ZINC001595968731 1174224252 /nfs/dbraw/zinc/22/42/52/1174224252.db2.gz HZFLMQBREWUIDN-GFCCVEGCSA-N -1 1 255.289 1.988 20 0 CDADMM Cc1c([C@H](C)NCc2cncc(C(=O)[O-])c2)cnn1C ZINC001600007892 1174337838 /nfs/dbraw/zinc/33/78/38/1174337838.db2.gz NLUZOEWSCSBTFW-VIFPVBQESA-N -1 1 274.324 1.673 20 0 CDADMM Cc1cc(C(=O)[O-])cc(C(=O)N2CC[C@H](N3CCC3)C2)c1 ZINC001600109909 1174364600 /nfs/dbraw/zinc/36/46/00/1174364600.db2.gz OPKIEWMWGZNFLG-AWEZNQCLSA-N -1 1 288.347 1.613 20 0 CDADMM Cc1cc(C(=O)[O-])nc(N2CCCc3[nH]ncc3C2)n1 ZINC001600126219 1174368388 /nfs/dbraw/zinc/36/83/88/1174368388.db2.gz MVDJWRIREWRUMO-UHFFFAOYSA-N -1 1 273.296 1.159 20 0 CDADMM Cc1cc(CCC(=O)N2CCC[C@H]2CC(=O)[O-])n[nH]1 ZINC001600188663 1174391626 /nfs/dbraw/zinc/39/16/26/1174391626.db2.gz HEMABIXNNIJYMW-NSHDSACASA-N -1 1 265.313 1.116 20 0 CDADMM Cc1cc(N2CC[C@@](O)(C(=O)[O-])C2)c2cc(F)ccc2n1 ZINC001600239221 1174421074 /nfs/dbraw/zinc/42/10/74/1174421074.db2.gz PCWATNNPJRKSGD-HNNXBMFYSA-N -1 1 290.294 1.708 20 0 CDADMM Cc1ccc(N2CC[C@@H](N[C@@H](C(=O)[O-])C3CC3)C2=O)cc1 ZINC001600434604 1174475498 /nfs/dbraw/zinc/47/54/98/1174475498.db2.gz JFVMJDFGZGOATK-ZIAGYGMSSA-N -1 1 288.347 1.553 20 0 CDADMM Cc1ccnc(NCc2cn(CC(=O)[O-])nn2)c1C1CC1 ZINC001600600323 1174521576 /nfs/dbraw/zinc/52/15/76/1174521576.db2.gz DESWBGHAXVSFCY-UHFFFAOYSA-N -1 1 287.323 1.556 20 0 CDADMM Cc1cnccc1CCN1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001600630338 1174542599 /nfs/dbraw/zinc/54/25/99/1174542599.db2.gz WQLPUYBCHUMTIY-AAEUAGOBSA-N -1 1 264.325 1.106 20 0 CDADMM CN(CCc1ccccn1)c1ccnc(-c2nnn[n-]2)c1 ZINC000103621561 1174684080 /nfs/dbraw/zinc/68/40/80/1174684080.db2.gz LNVYBINCGKEGHN-UHFFFAOYSA-N -1 1 281.323 1.336 20 0 CDADMM CN(CCc1ccccn1)c1ccnc(-c2nn[n-]n2)c1 ZINC000103621561 1174684085 /nfs/dbraw/zinc/68/40/85/1174684085.db2.gz LNVYBINCGKEGHN-UHFFFAOYSA-N -1 1 281.323 1.336 20 0 CDADMM NC1(c2noc(CCSCC(=O)[O-])n2)CCCC1 ZINC001601176569 1174773787 /nfs/dbraw/zinc/77/37/87/1174773787.db2.gz PLCWXKGIKKJHTQ-UHFFFAOYSA-N -1 1 271.342 1.158 20 0 CDADMM O=C([O-])c1ccc(F)c(NC(=O)CCN2CC[C@@H](F)C2)c1 ZINC001601274495 1174821304 /nfs/dbraw/zinc/82/13/04/1174821304.db2.gz HGCFHUNUIFMICZ-SNVBAGLBSA-N -1 1 298.289 1.896 20 0 CDADMM O=C([O-])c1cc(CNCC(=O)NCc2ccco2)cs1 ZINC001601327143 1174835366 /nfs/dbraw/zinc/83/53/66/1174835366.db2.gz HICDGMKZELVJFZ-UHFFFAOYSA-N -1 1 294.332 1.445 20 0 CDADMM O=C([O-])c1cccc(NC(=O)c2cn[nH]c2C2CC2)c1O ZINC001601616733 1174913666 /nfs/dbraw/zinc/91/36/66/1174913666.db2.gz AXGMNGPQWWFTIQ-UHFFFAOYSA-N -1 1 287.275 1.943 20 0 CDADMM O=C([O-])[C@@H]1[C@@H](O)CCCN1Cc1cc2ccncc2s1 ZINC001601755369 1174989980 /nfs/dbraw/zinc/98/99/80/1174989980.db2.gz PUTSHZPIRRKOIO-AAEUAGOBSA-N -1 1 292.360 1.706 20 0 CDADMM O=C([O-])[C@@H]1C[C@@H](O)CN(C/C=C\c2ccc(F)cc2F)C1 ZINC001601770110 1174996919 /nfs/dbraw/zinc/99/69/19/1174996919.db2.gz USTJZRIOYLSPPS-IWRMCDHXSA-N -1 1 297.301 1.745 20 0 CDADMM O=C([O-])C[C@@H]1COCCN1Cc1cccc2ncccc12 ZINC001601962983 1175089013 /nfs/dbraw/zinc/08/90/13/1175089013.db2.gz CHQQJWSGGNWCKH-CYBMUJFWSA-N -1 1 286.331 1.910 20 0 CDADMM O=C([O-])CN1CCN(C(=O)CCC2CCCCCC2)CC1 ZINC001602063028 1175123837 /nfs/dbraw/zinc/12/38/37/1175123837.db2.gz HGAMNRACJVZIMC-UHFFFAOYSA-N -1 1 296.411 1.966 20 0 CDADMM O=C([O-])c1ccc(NC(=O)c2cncc3nc[nH]c32)cc1 ZINC001602381003 1175228299 /nfs/dbraw/zinc/22/82/99/1175228299.db2.gz DBUPNUFSMJVSQY-UHFFFAOYSA-N -1 1 282.259 1.908 20 0 CDADMM O=C([O-])c1cnc(CN2CCC[C@H](c3cccnc3)C2)cn1 ZINC001602520630 1175268515 /nfs/dbraw/zinc/26/85/15/1175268515.db2.gz SGHZUMARJPBJDY-ZDUSSCGKSA-N -1 1 298.346 1.949 20 0 CDADMM O=C([O-])c1n[nH]cc1NC(=O)c1c(O)cccc1F ZINC001602566666 1175299651 /nfs/dbraw/zinc/29/96/51/1175299651.db2.gz VQHVRZVSHJMBND-UHFFFAOYSA-N -1 1 265.200 1.205 20 0 CDADMM O=C([O-])c1ncn(CN2CCC[C@H]2Cc2ccccc2)n1 ZINC001602580131 1175305677 /nfs/dbraw/zinc/30/56/77/1175305677.db2.gz IMKQJKWGGFNGSO-ZDUSSCGKSA-N -1 1 286.335 1.641 20 0 CDADMM O=C([O-])c1csc(CN2CCCCCNC(=O)CC2)n1 ZINC001602645215 1175337108 /nfs/dbraw/zinc/33/71/08/1175337108.db2.gz HIAXHJRTEUGVDX-UHFFFAOYSA-N -1 1 297.380 1.334 20 0 CDADMM C=C/C=C\CC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001602806938 1175409295 /nfs/dbraw/zinc/40/92/95/1175409295.db2.gz BKZULOSRIVGVMX-ARJAWSKDSA-N -1 1 276.325 1.072 20 0 CDADMM C=C/C=C\CC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001602806938 1175409298 /nfs/dbraw/zinc/40/92/98/1175409298.db2.gz BKZULOSRIVGVMX-ARJAWSKDSA-N -1 1 276.325 1.072 20 0 CDADMM CC(=O)OC1CCN(Cc2ccc(C(=O)[O-])cn2)CC1 ZINC001603086276 1175489052 /nfs/dbraw/zinc/48/90/52/1175489052.db2.gz FAHKZXCTJKBFSG-UHFFFAOYSA-N -1 1 278.308 1.307 20 0 CDADMM CC(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC001603229052 1175520022 /nfs/dbraw/zinc/52/00/22/1175520022.db2.gz OSLFAZUPOUALKK-LLVKDONJSA-N -1 1 275.312 1.624 20 0 CDADMM CC(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC001603229052 1175520027 /nfs/dbraw/zinc/52/00/27/1175520027.db2.gz OSLFAZUPOUALKK-LLVKDONJSA-N -1 1 275.312 1.624 20 0 CDADMM CC(C)(C(=O)[O-])n1ccc(NC(=O)c2ccc(CN)o2)n1 ZINC001603290135 1175533005 /nfs/dbraw/zinc/53/30/05/1175533005.db2.gz NDVBYZJBFFLNEO-UHFFFAOYSA-N -1 1 292.295 1.007 20 0 CDADMM CC(C)N(C(=O)c1cccc(-c2nnn[n-]2)n1)C1CCC1 ZINC001603316328 1175538113 /nfs/dbraw/zinc/53/81/13/1175538113.db2.gz YBYLDKQSECHLTE-UHFFFAOYSA-N -1 1 286.339 1.665 20 0 CDADMM CC(C)N(C(=O)c1cccc(-c2nn[n-]n2)n1)C1CCC1 ZINC001603316328 1175538120 /nfs/dbraw/zinc/53/81/20/1175538120.db2.gz YBYLDKQSECHLTE-UHFFFAOYSA-N -1 1 286.339 1.665 20 0 CDADMM CC(C)(C)N1CC[C@@H]1C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC001603344635 1175545268 /nfs/dbraw/zinc/54/52/68/1175545268.db2.gz OJIUSZJWIFTIAF-WUHRBBMRSA-N -1 1 294.395 1.571 20 0 CDADMM C[C@@H](COc1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001603572385 1175568069 /nfs/dbraw/zinc/56/80/69/1175568069.db2.gz ZWCKHHOYLBHOAH-JTQLQIEISA-N -1 1 297.322 1.536 20 0 CDADMM C[C@@H](COc1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001603572385 1175568080 /nfs/dbraw/zinc/56/80/80/1175568080.db2.gz ZWCKHHOYLBHOAH-JTQLQIEISA-N -1 1 297.322 1.536 20 0 CDADMM CC(C)(NC(=O)C=Cc1cc(C(=O)[O-])co1)c1c[nH]nn1 ZINC001603672056 1175594594 /nfs/dbraw/zinc/59/45/94/1175594594.db2.gz ZFEHUXZKJNPXOP-ONEGZZNKSA-N -1 1 290.279 1.161 20 0 CDADMM CC(C)(NC(=O)c1cccc(CC(=O)[O-])c1)c1c[nH]nn1 ZINC001603680130 1175595350 /nfs/dbraw/zinc/59/53/50/1175595350.db2.gz UWOYCWBTMCZDCP-UHFFFAOYSA-N -1 1 288.307 1.097 20 0 CDADMM C[C@H](OC(=O)c1sccc1-c1nn[n-]n1)C(=O)C1CC1 ZINC001603704604 1175605465 /nfs/dbraw/zinc/60/54/65/1175605465.db2.gz DJWCQPMIHCYUIK-LURJTMIESA-N -1 1 292.320 1.453 20 0 CDADMM CC1(C)CCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001603777844 1175629376 /nfs/dbraw/zinc/62/93/76/1175629376.db2.gz SLWNFASIAMOQAI-UHFFFAOYSA-N -1 1 258.329 1.888 20 0 CDADMM CC1(C)CCCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001603777844 1175629377 /nfs/dbraw/zinc/62/93/77/1175629377.db2.gz SLWNFASIAMOQAI-UHFFFAOYSA-N -1 1 258.329 1.888 20 0 CDADMM C[C@H]1CC[C@H](C)N1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001603874115 1175664400 /nfs/dbraw/zinc/66/44/00/1175664400.db2.gz GNMPWIWHNMHFBU-UWVGGRQHSA-N -1 1 286.339 1.204 20 0 CDADMM C[C@H]1CC[C@H](C)N1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001603874115 1175664405 /nfs/dbraw/zinc/66/44/05/1175664405.db2.gz GNMPWIWHNMHFBU-UWVGGRQHSA-N -1 1 286.339 1.204 20 0 CDADMM C[C@@H]1[C@@H](C)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001603897188 1175676368 /nfs/dbraw/zinc/67/63/68/1175676368.db2.gz DAGZWLMZXFAULP-DTWKUNHWSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@@H]1CCSCCN1c1cccc(-c2nnn[n-]2)n1 ZINC001603910029 1175682988 /nfs/dbraw/zinc/68/29/88/1175682988.db2.gz MCHPBHMGTUYMOA-SECBINFHSA-N -1 1 276.369 1.594 20 0 CDADMM C[C@@H]1CCSCCN1c1cccc(-c2nn[n-]n2)n1 ZINC001603910029 1175682990 /nfs/dbraw/zinc/68/29/90/1175682990.db2.gz MCHPBHMGTUYMOA-SECBINFHSA-N -1 1 276.369 1.594 20 0 CDADMM C[C@H]1CN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)[C@H]1C ZINC001603925285 1175688178 /nfs/dbraw/zinc/68/81/78/1175688178.db2.gz YPILPMNRTFAHGX-YUMQZZPRSA-N -1 1 273.300 1.134 20 0 CDADMM C[C@H]1CN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)[C@H]1C ZINC001603925285 1175688180 /nfs/dbraw/zinc/68/81/80/1175688180.db2.gz YPILPMNRTFAHGX-YUMQZZPRSA-N -1 1 273.300 1.134 20 0 CDADMM C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCC1=O ZINC001603936775 1175689470 /nfs/dbraw/zinc/68/94/70/1175689470.db2.gz WADMDZKMDIZTNX-MRVPVSSYSA-N -1 1 277.353 1.339 20 0 CDADMM C[C@H]1CN(c2ccnc(-c3nnn[n-]3)c2)C[C@@H](C2CC2)O1 ZINC001603941621 1175692068 /nfs/dbraw/zinc/69/20/68/1175692068.db2.gz PYSVTHKOSJKWCN-ZANVPECISA-N -1 1 286.339 1.265 20 0 CDADMM C[C@H]1CN(c2ccnc(-c3nn[n-]n3)c2)C[C@@H](C2CC2)O1 ZINC001603941621 1175692070 /nfs/dbraw/zinc/69/20/70/1175692070.db2.gz PYSVTHKOSJKWCN-ZANVPECISA-N -1 1 286.339 1.265 20 0 CDADMM CCC(=CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)CC ZINC001603965543 1175701496 /nfs/dbraw/zinc/70/14/96/1175701496.db2.gz MPBWSHJHDVCYCG-UHFFFAOYSA-N -1 1 261.289 1.275 20 0 CDADMM CCC(=CC(=O)Nc1n[nH]cc1-c1nn[n-]n1)CC ZINC001603965543 1175701505 /nfs/dbraw/zinc/70/15/05/1175701505.db2.gz MPBWSHJHDVCYCG-UHFFFAOYSA-N -1 1 261.289 1.275 20 0 CDADMM CC[C@H](C)CC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001603996533 1175711466 /nfs/dbraw/zinc/71/14/66/1175711466.db2.gz AAINKZMDHUHWOY-VIFPVBQESA-N -1 1 274.328 1.314 20 0 CDADMM CC[C@H](C)CC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001603996533 1175711471 /nfs/dbraw/zinc/71/14/71/1175711471.db2.gz AAINKZMDHUHWOY-VIFPVBQESA-N -1 1 274.328 1.314 20 0 CDADMM CC[C@H](C)[C@@H](CNC(=O)c1coc(-c2nnn[n-]2)c1)OC ZINC001603998472 1175714928 /nfs/dbraw/zinc/71/49/28/1175714928.db2.gz CYDIQPKJYIGRBO-GZMMTYOYSA-N -1 1 293.327 1.251 20 0 CDADMM CC[C@H](C)[C@@H](CNC(=O)c1coc(-c2nn[n-]n2)c1)OC ZINC001603998472 1175714936 /nfs/dbraw/zinc/71/49/36/1175714936.db2.gz CYDIQPKJYIGRBO-GZMMTYOYSA-N -1 1 293.327 1.251 20 0 CDADMM CC[C@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H](C)O1 ZINC001604111367 1175768234 /nfs/dbraw/zinc/76/82/34/1175768234.db2.gz CRMAOEGOAKNSEW-CBAPKCEASA-N -1 1 294.384 1.635 20 0 CDADMM CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(C)ns2)C1 ZINC001771834273 1184770344 /nfs/dbraw/zinc/77/03/44/1184770344.db2.gz ZZLHPHLQEKPMPJ-BDAKNGLRSA-N -1 1 276.383 1.297 20 0 CDADMM FC(F)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001606296361 1163841105 /nfs/dbraw/zinc/84/11/05/1163841105.db2.gz HTYWMDBURFNPPO-UHFFFAOYSA-N -1 1 281.270 1.138 20 0 CDADMM COC(=O)[C@@H](CCC(=O)[O-])N1CCCC2(CCOCC2)C1 ZINC001606332691 1163864892 /nfs/dbraw/zinc/86/48/92/1163864892.db2.gz RAIVHFIAIOGBOB-GFCCVEGCSA-N -1 1 299.367 1.285 20 0 CDADMM COC(=O)[C@@H]1CCCC[C@@H]1CN1CCO[C@H](CC(=O)[O-])C1 ZINC001606405709 1163891293 /nfs/dbraw/zinc/89/12/93/1163891293.db2.gz WTTIRVAHAGETTP-JHJVBQTASA-N -1 1 299.367 1.141 20 0 CDADMM CO[C@H]1CN(Cc2ccc(C(=O)[O-])cc2F)[C@@](C)(CO)C1 ZINC001606771136 1163988874 /nfs/dbraw/zinc/98/88/74/1163988874.db2.gz KXSKTAZZZCWSME-IUODEOHRSA-N -1 1 297.326 1.496 20 0 CDADMM c1cnc(N2CC[C@H](C3CCC3)C2)c(-c2nn[n-]n2)n1 ZINC001607134259 1164114285 /nfs/dbraw/zinc/11/42/85/1164114285.db2.gz FATOMAYALMFCMZ-JTQLQIEISA-N -1 1 271.328 1.283 20 0 CDADMM O=S(=O)([N-]C(CF)CF)c1ccccc1F ZINC000885413378 711840302 /nfs/dbraw/zinc/84/03/02/711840302.db2.gz IMHFHGRGEPJYHN-UHFFFAOYSA-N -1 1 253.245 1.412 20 0 CDADMM CN(C)C(=O)[C@H]1CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000839821871 711843954 /nfs/dbraw/zinc/84/39/54/711843954.db2.gz GBAWOLURMFDFBE-VIFPVBQESA-N -1 1 296.754 1.596 20 0 CDADMM CCn1nc(C)c(C(=O)CSc2ncc(C)c(=O)[n-]2)n1 ZINC000849903421 711859635 /nfs/dbraw/zinc/85/96/35/711859635.db2.gz SJBGFLHGQMQCTR-UHFFFAOYSA-N -1 1 293.352 1.385 20 0 CDADMM O=C([O-])C1=CC[C@@H](NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC000713719657 711876562 /nfs/dbraw/zinc/87/65/62/711876562.db2.gz SSSXWGVWSOREIG-SECBINFHSA-N -1 1 275.308 1.192 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CCO[C@H]3CCCC[C@H]32)c1 ZINC000826514161 711879962 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299.421 1.838 20 0 CDADMM CC[C@H]1[C@@H](C)CCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000356150928 288367306 /nfs/dbraw/zinc/36/73/06/288367306.db2.gz WLGNJESPPWPTKH-QWRGUYRKSA-N -1 1 291.351 1.164 20 0 CDADMM CSc1nc(C)c(CCC(=O)NCCCF)c(=O)[n-]1 ZINC000532673072 282020643 /nfs/dbraw/zinc/02/06/43/282020643.db2.gz BPBVEBJUARXULM-UHFFFAOYSA-N -1 1 287.360 1.621 20 0 CDADMM CC(C)c1cc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)n[nH]1 ZINC000532678446 282022367 /nfs/dbraw/zinc/02/23/67/282022367.db2.gz IDVAJEGYPRNWSS-JTQLQIEISA-N -1 1 279.340 1.860 20 0 CDADMM Cc1cc(F)cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1 ZINC000155479299 289240557 /nfs/dbraw/zinc/24/05/57/289240557.db2.gz SWLPYEXTNHMYSI-JTQLQIEISA-N -1 1 289.314 1.667 20 0 CDADMM COc1ccc(Cl)cc1C=CC(=O)Nc1nnn[n-]1 ZINC000255590900 289378746 /nfs/dbraw/zinc/37/87/46/289378746.db2.gz ORNBWXAYVARIDK-DJWKRKHSSA-N -1 1 279.687 1.514 20 0 CDADMM COc1ccc(Cl)cc1C=CC(=O)Nc1nn[n-]n1 ZINC000255590900 289378748 /nfs/dbraw/zinc/37/87/48/289378748.db2.gz ORNBWXAYVARIDK-DJWKRKHSSA-N -1 1 279.687 1.514 20 0 CDADMM CCn1nccc1/C=C\C(=O)[N-]O[C@@H]1CCCCO1 ZINC000255795577 289386607 /nfs/dbraw/zinc/38/66/07/289386607.db2.gz WJTDEVHWIXHVTP-FMFIFOJESA-N -1 1 265.313 1.491 20 0 CDADMM C[C@@H]1C[C@@H](C(=O)Nc2ccc(F)cc2[O-])CC(=O)N1 ZINC000541723622 289508181 /nfs/dbraw/zinc/50/81/81/289508181.db2.gz LVRQFAQPTROIFV-HTQZYQBOSA-N -1 1 266.272 1.385 20 0 CDADMM Cc1nnc([N-]C(=O)c2coc(C3CCOCC3)n2)s1 ZINC000545310167 289679329 /nfs/dbraw/zinc/67/93/29/289679329.db2.gz YPUCEQOJLYQWQQ-UHFFFAOYSA-N -1 1 294.336 1.981 20 0 CDADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)[C@@H]1CCCOC1 ZINC000552848979 290083946 /nfs/dbraw/zinc/08/39/46/290083946.db2.gz CXDMPSMVHFBCBN-SECBINFHSA-N -1 1 297.380 1.464 20 0 CDADMM Cc1cnc(C(=O)N2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)c([O-])c1 ZINC000332227530 292878637 /nfs/dbraw/zinc/87/86/37/292878637.db2.gz KXTSGVKTLJSPBF-QJPTWQEYSA-N -1 1 276.336 1.329 20 0 CDADMM O=C(NCCOc1cccc(F)c1)c1ncccc1[O-] ZINC000171274818 292891870 /nfs/dbraw/zinc/89/18/70/292891870.db2.gz SFUTVTWSQXYAMH-UHFFFAOYSA-N -1 1 276.267 1.735 20 0 CDADMM O=C(NCc1ccc(OCC2CC2)nc1)c1ncccc1[O-] ZINC000171298071 292892336 /nfs/dbraw/zinc/89/23/36/292892336.db2.gz RIXSTIQADDKRJF-UHFFFAOYSA-N -1 1 299.330 1.901 20 0 CDADMM O=S(=O)([N-]c1ccn(Cc2ccccc2)n1)C1CC1 ZINC000171336534 292892988 /nfs/dbraw/zinc/89/29/88/292892988.db2.gz URNWZPGPODJGAF-UHFFFAOYSA-N -1 1 277.349 1.836 20 0 CDADMM CCC[C@H](C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001590549874 1173457913 /nfs/dbraw/zinc/45/79/13/1173457913.db2.gz HCKCDURHVRMRME-VIFPVBQESA-N -1 1 261.333 1.895 20 0 CDADMM CCC[C@H](C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001590549874 1173457920 /nfs/dbraw/zinc/45/79/20/1173457920.db2.gz HCKCDURHVRMRME-VIFPVBQESA-N -1 1 261.333 1.895 20 0 CDADMM CCCN(Cc1ncccc1[O-])[C@@H](COC)C(=O)OCC ZINC000561395552 293082867 /nfs/dbraw/zinc/08/28/67/293082867.db2.gz QKLZSTIHWUKZKO-ZDUSSCGKSA-N -1 1 296.367 1.577 20 0 CDADMM O=C([O-])c1coc(=N[C@H]2CCO[C@]3(CCSC3)C2)[nH]1 ZINC000563206253 293310171 /nfs/dbraw/zinc/31/01/71/293310171.db2.gz HGBXWUZYJJUGMX-QPUJVOFHSA-N -1 1 284.337 1.261 20 0 CDADMM CN(C[C@@H]1CCC[N@@H+](C)C1)c1nc(C(=O)[O-])co1 ZINC000563207302 293310888 /nfs/dbraw/zinc/31/08/88/293310888.db2.gz PSXQYRQYGFXQRM-SECBINFHSA-N -1 1 253.302 1.151 20 0 CDADMM CCCC[C@H](C)N(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590577243 1173469130 /nfs/dbraw/zinc/46/91/30/1173469130.db2.gz RWVJEUDHCHPION-JTQLQIEISA-N -1 1 275.360 1.980 20 0 CDADMM CCCC[C@H](C)N(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590577243 1173469137 /nfs/dbraw/zinc/46/91/37/1173469137.db2.gz RWVJEUDHCHPION-JTQLQIEISA-N -1 1 275.360 1.980 20 0 CDADMM CCCC[C@@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001590576618 1173469153 /nfs/dbraw/zinc/46/91/53/1173469153.db2.gz CJUXHGQCACAFTF-SECBINFHSA-N -1 1 261.333 1.672 20 0 CDADMM CCCC[C@@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001590576618 1173469160 /nfs/dbraw/zinc/46/91/60/1173469160.db2.gz CJUXHGQCACAFTF-SECBINFHSA-N -1 1 261.333 1.672 20 0 CDADMM C[C@H]1C[C@@]1(NCc1nc(=O)n(C)[n-]1)c1ccc(Cl)cc1 ZINC000568663453 294081451 /nfs/dbraw/zinc/08/14/51/294081451.db2.gz CSDQMTMQYUHESZ-XPTSAGLGSA-N -1 1 292.770 1.787 20 0 CDADMM CCCC[C@@H](C)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590576902 1173470065 /nfs/dbraw/zinc/47/00/65/1173470065.db2.gz JATZQQFEYDTBLU-SSDOTTSWSA-N -1 1 263.305 1.355 20 0 CDADMM CCCC[C@@H](C)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590576902 1173470068 /nfs/dbraw/zinc/47/00/68/1173470068.db2.gz JATZQQFEYDTBLU-SSDOTTSWSA-N -1 1 263.305 1.355 20 0 CDADMM CCCCCSc1cnc(-c2nnn[n-]2)cn1 ZINC001590597455 1173471216 /nfs/dbraw/zinc/47/12/16/1173471216.db2.gz GEAGQQJYWHIIQJ-UHFFFAOYSA-N -1 1 250.331 1.939 20 0 CDADMM CCCCCSc1cnc(-c2nn[n-]n2)cn1 ZINC001590597455 1173471223 /nfs/dbraw/zinc/47/12/23/1173471223.db2.gz GEAGQQJYWHIIQJ-UHFFFAOYSA-N -1 1 250.331 1.939 20 0 CDADMM COC[C@@H]1CN(CCc2ccccc2C(=O)[O-])C[C@@H](C)O1 ZINC000571171948 294382840 /nfs/dbraw/zinc/38/28/40/294382840.db2.gz FSZPDHSHRVLADH-OCCSQVGLSA-N -1 1 293.363 1.663 20 0 CDADMM CCCCCN(Cc1cn(CC(=O)[O-])nn1)C(C)C ZINC000574579134 295022295 /nfs/dbraw/zinc/02/22/95/295022295.db2.gz ZVIINYLIFATVOS-UHFFFAOYSA-N -1 1 268.361 1.763 20 0 CDADMM C[C@@H]1CCCC[C@]1(C)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000574901442 295073142 /nfs/dbraw/zinc/07/31/42/295073142.db2.gz MTHVACLAWRWDJL-OTYXRUKQSA-N -1 1 289.339 1.116 20 0 CDADMM Cc1noc(C[N-]S(=O)(=O)c2cccc3ccoc32)n1 ZINC001669061901 1173499916 /nfs/dbraw/zinc/49/99/16/1173499916.db2.gz IILYRAXNQMVSTD-UHFFFAOYSA-N -1 1 293.304 1.603 20 0 CDADMM Cc1cc(=NC(=O)N[C@@H]2CCCc3cn[nH]c32)[n-]nc1C ZINC000361510035 301052588 /nfs/dbraw/zinc/05/25/88/301052588.db2.gz FWBXTRDKHYTCPU-LLVKDONJSA-N -1 1 286.339 1.438 20 0 CDADMM CN(Cc1nc(-c2nnn[n-]2)cs1)Cc1cccnc1 ZINC001591149406 1173581605 /nfs/dbraw/zinc/58/16/05/1173581605.db2.gz DNNXLMKQGYHWHJ-UHFFFAOYSA-N -1 1 287.352 1.350 20 0 CDADMM CN(Cc1nc(-c2nn[n-]n2)cs1)Cc1cccnc1 ZINC001591149406 1173581608 /nfs/dbraw/zinc/58/16/08/1173581608.db2.gz DNNXLMKQGYHWHJ-UHFFFAOYSA-N -1 1 287.352 1.350 20 0 CDADMM CN(c1cc(-c2nnn[n-]2)ncn1)C1CC(C)(C)C1 ZINC001591154729 1173580860 /nfs/dbraw/zinc/58/08/60/1173580860.db2.gz GWOXPQZVRHMNPF-UHFFFAOYSA-N -1 1 259.317 1.282 20 0 CDADMM CN(c1cc(-c2nn[n-]n2)ncn1)C1CC(C)(C)C1 ZINC001591154729 1173580865 /nfs/dbraw/zinc/58/08/65/1173580865.db2.gz GWOXPQZVRHMNPF-UHFFFAOYSA-N -1 1 259.317 1.282 20 0 CDADMM O=C(N[C@@H]1COc2ccccc2[C@@H]1O)c1cncc([O-])c1 ZINC000378138153 303900231 /nfs/dbraw/zinc/90/02/31/303900231.db2.gz OIPWVQSSCAYUKG-OCCSQVGLSA-N -1 1 286.287 1.012 20 0 CDADMM COC(=O)CSCc1ccc(-c2nn[n-]n2)s1 ZINC001591268833 1173598969 /nfs/dbraw/zinc/59/89/69/1173598969.db2.gz ZNKDFGLBCPCFKY-UHFFFAOYSA-N -1 1 270.339 1.334 20 0 CDADMM COC/C(C)=C/C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001591371365 1173635081 /nfs/dbraw/zinc/63/50/81/1173635081.db2.gz RFLJWUBQPRXFMI-VMPITWQZSA-N -1 1 293.352 1.137 20 0 CDADMM CSCCCOC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001591699029 1173687801 /nfs/dbraw/zinc/68/78/01/1173687801.db2.gz AZZYDVQGCBXDIL-UHFFFAOYSA-N -1 1 284.366 1.838 20 0 CDADMM CSCCCOC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591699029 1173687807 /nfs/dbraw/zinc/68/78/07/1173687807.db2.gz AZZYDVQGCBXDIL-UHFFFAOYSA-N -1 1 284.366 1.838 20 0 CDADMM C[S@@](=O)Cc1noc(-c2cc(F)ccc2[O-])n1 ZINC000350567036 316178363 /nfs/dbraw/zinc/17/83/63/316178363.db2.gz LGQGLKXRZJFFNJ-QGZVFWFLSA-N -1 1 256.258 1.460 20 0 CDADMM CCc1cc(=O)[n-]c(C[NH2+]C2(C(=O)[O-])CCCC2)n1 ZINC000563880093 316387464 /nfs/dbraw/zinc/38/74/64/316387464.db2.gz SLGYDILBJUAXJJ-UHFFFAOYSA-N -1 1 265.313 1.232 20 0 CDADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCCC(F)(F)C1 ZINC000575604559 317000794 /nfs/dbraw/zinc/00/07/94/317000794.db2.gz YBZMTCVEYZBIPH-ZETCQYMHSA-N -1 1 295.311 1.252 20 0 CDADMM Cc1o[n-]c(=N)c1S(=O)(=O)N[C@H]1CCCC(F)(F)C1 ZINC000575604559 317000795 /nfs/dbraw/zinc/00/07/95/317000795.db2.gz YBZMTCVEYZBIPH-ZETCQYMHSA-N -1 1 295.311 1.252 20 0 CDADMM Cc1cc(N(C)CC2(O)CCCC2)cc(-c2nnn[n-]2)n1 ZINC001591995069 1173767459 /nfs/dbraw/zinc/76/74/59/1173767459.db2.gz GJKNNNYGUFJVNO-UHFFFAOYSA-N -1 1 288.355 1.311 20 0 CDADMM Cc1cc(N(C)CC2(O)CCCC2)cc(-c2nn[n-]n2)n1 ZINC001591995069 1173767466 /nfs/dbraw/zinc/76/74/66/1173767466.db2.gz GJKNNNYGUFJVNO-UHFFFAOYSA-N -1 1 288.355 1.311 20 0 CDADMM CC1=C(C)C[C@H](C(=O)N(C)C[C@@H](C)c2nn[n-]n2)CC1 ZINC000579125273 324113339 /nfs/dbraw/zinc/11/33/39/324113339.db2.gz IBRRFFSXPBBTPO-VXGBXAGGSA-N -1 1 277.372 1.898 20 0 CDADMM Cc1nn(C[C@@H](C)CC(C)C)c(=O)c(-c2nn[n-]n2)c1C ZINC001592436229 1173887327 /nfs/dbraw/zinc/88/73/27/1173887327.db2.gz LATLXXOPOXCCDI-VIFPVBQESA-N -1 1 290.371 1.722 20 0 CDADMM Cc1cnc(C(=O)N2CC3(CCC3(F)F)C2)c([O-])c1 ZINC000582702051 325026092 /nfs/dbraw/zinc/02/60/92/325026092.db2.gz CCFLBEASYQXTAH-UHFFFAOYSA-N -1 1 268.263 1.967 20 0 CDADMM CCN1CCCC[C@H]1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000583025083 325091449 /nfs/dbraw/zinc/09/14/49/325091449.db2.gz PXPQEAQPXNIXAZ-BPCQOVAHSA-N -1 1 282.384 1.620 20 0 CDADMM Cc1nsc(N2CCSC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001592476563 1173899385 /nfs/dbraw/zinc/89/93/85/1173899385.db2.gz VNBBYAVUECJSQE-ZETCQYMHSA-N -1 1 296.425 1.821 20 0 CDADMM Cc1nsc(NC(=O)[C@@H]2CC23CCC3)c1-c1nnn[n-]1 ZINC001592478682 1173899751 /nfs/dbraw/zinc/89/97/51/1173899751.db2.gz FNNAQJXGKZOZJN-ZETCQYMHSA-N -1 1 290.352 1.760 20 0 CDADMM Cc1nsc(NC(=O)[C@@H]2CC23CCC3)c1-c1nn[n-]n1 ZINC001592478682 1173899754 /nfs/dbraw/zinc/89/97/54/1173899754.db2.gz FNNAQJXGKZOZJN-ZETCQYMHSA-N -1 1 290.352 1.760 20 0 CDADMM Cc1nsc(NC(=O)[C@H]2CC23CCC3)c1-c1nnn[n-]1 ZINC001592478680 1173900426 /nfs/dbraw/zinc/90/04/26/1173900426.db2.gz FNNAQJXGKZOZJN-SSDOTTSWSA-N -1 1 290.352 1.760 20 0 CDADMM Cc1nsc(NC(=O)[C@H]2CC23CCC3)c1-c1nn[n-]n1 ZINC001592478680 1173900429 /nfs/dbraw/zinc/90/04/29/1173900429.db2.gz FNNAQJXGKZOZJN-SSDOTTSWSA-N -1 1 290.352 1.760 20 0 CDADMM Cc1nsc(NCCCOCC2CC2)c1-c1nn[n-]n1 ZINC001592492585 1173901240 /nfs/dbraw/zinc/90/12/40/1173901240.db2.gz DNCAATCMUPPWIK-UHFFFAOYSA-N -1 1 294.384 1.860 20 0 CDADMM Cc1nsc(NC[C@@H]2CCCOC2)c1-c1nn[n-]n1 ZINC001592489049 1173901889 /nfs/dbraw/zinc/90/18/89/1173901889.db2.gz HRNAYANBXYITFB-QMMMGPOBSA-N -1 1 280.357 1.470 20 0 CDADMM Cc1nsc(N[C@H]2CCSC2)c1-c1nn[n-]n1 ZINC001592486222 1173903370 /nfs/dbraw/zinc/90/33/70/1173903370.db2.gz FTIITQCHYFDBJN-LURJTMIESA-N -1 1 268.371 1.549 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C1CC1)C1CC1 ZINC001592494869 1173904011 /nfs/dbraw/zinc/90/40/11/1173904011.db2.gz FUYKZGRLZLCOHI-UHFFFAOYSA-N -1 1 273.296 1.535 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C1CC1)C1CC1 ZINC001592494869 1173904013 /nfs/dbraw/zinc/90/40/13/1173904013.db2.gz FUYKZGRLZLCOHI-UHFFFAOYSA-N -1 1 273.296 1.535 20 0 CDADMM CCn1ccnc1CNC(=O)c1cc(F)ccc1[O-] ZINC000385560232 1160444751 /nfs/dbraw/zinc/44/47/51/1160444751.db2.gz YIIPRCLJANJWKH-UHFFFAOYSA-N -1 1 263.272 1.678 20 0 CDADMM COc1ccnc(CN2C[C@H](C)C[C@H](C(=O)[O-])C2)c1OC ZINC000398681078 482250419 /nfs/dbraw/zinc/25/04/19/482250419.db2.gz JYXRBGDHNQOBPZ-MNOVXSKESA-N -1 1 294.351 1.641 20 0 CDADMM COCC[C@@H](c1ccccc1)N(C)Cc1n[n-]c(=O)o1 ZINC000660844165 482420844 /nfs/dbraw/zinc/42/08/44/482420844.db2.gz GEYDVAVJMYZSNJ-LBPRGKRZSA-N -1 1 277.324 1.985 20 0 CDADMM O=C(CNC(=O)c1ccc([O-])c(F)c1)Nc1cccnc1 ZINC000681040156 482666981 /nfs/dbraw/zinc/66/69/81/482666981.db2.gz ZQSWDAQDJVVXCG-UHFFFAOYSA-N -1 1 289.266 1.295 20 0 CDADMM O=C(NCCCO[C@H]1CCCCO1)c1ncccc1[O-] ZINC000684853170 482667619 /nfs/dbraw/zinc/66/76/19/482667619.db2.gz GONNTHKEGZQSBO-LBPRGKRZSA-N -1 1 280.324 1.450 20 0 CDADMM CC(C)(C)C(=O)CNC(=O)c1ccc([O-])c(F)c1 ZINC000681059932 482678647 /nfs/dbraw/zinc/67/86/47/482678647.db2.gz OEPDHQRWTIYMAN-UHFFFAOYSA-N -1 1 253.273 1.876 20 0 CDADMM Cn1cnnc1[C@H]1CCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681065108 482679936 /nfs/dbraw/zinc/67/99/36/482679936.db2.gz ARIUNSYVEZOZAQ-LLVKDONJSA-N -1 1 290.298 1.637 20 0 CDADMM CC(C)Cc1ccc([C@@H](C)C(=O)NCc2nn[n-]n2)cc1 ZINC000677765877 482777009 /nfs/dbraw/zinc/77/70/09/482777009.db2.gz WAYBAANJCPZKGG-LLVKDONJSA-N -1 1 287.367 1.818 20 0 CDADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc[nH]n1 ZINC000673833500 482850309 /nfs/dbraw/zinc/85/03/09/482850309.db2.gz KBMBQKCSCAIYDJ-UHFFFAOYSA-N -1 1 275.312 1.764 20 0 CDADMM O=C(C(=O)N1CCC[C@H](c2cc[nH]n2)C1)c1ccc([O-])cc1 ZINC000684832861 482985486 /nfs/dbraw/zinc/98/54/86/482985486.db2.gz ZFMRPMHKAGVAAF-LBPRGKRZSA-N -1 1 299.330 1.704 20 0 CDADMM O=C(NCc1nn[n-]n1)c1ncccc1Oc1ccccc1 ZINC000669603794 482988581 /nfs/dbraw/zinc/98/85/81/482988581.db2.gz ZVRYDTMLNDBZLT-UHFFFAOYSA-N -1 1 296.290 1.317 20 0 CDADMM O=C([O-])[C@@H]1CN(C[C@@H](O)C(F)(F)F)Cc2ccccc21 ZINC000227029351 483000349 /nfs/dbraw/zinc/00/03/49/483000349.db2.gz UQGFMQGDTGMLAN-GHMZBOCLSA-N -1 1 289.253 1.594 20 0 CDADMM O=S(=O)([N-][C@H]1CCC(F)(F)C1)c1ccco1 ZINC000682081923 483128123 /nfs/dbraw/zinc/12/81/23/483128123.db2.gz CUXMWYQFRXABMY-ZETCQYMHSA-N -1 1 251.254 1.746 20 0 CDADMM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCN(C2CCCC2)CC1 ZINC000164018359 483245168 /nfs/dbraw/zinc/24/51/68/483245168.db2.gz HDLSBHJDGDIQRS-ZDUSSCGKSA-N -1 1 296.411 1.820 20 0 CDADMM O=C([O-])CN(CC1CC1)C(=O)c1cccc2c[nH]nc21 ZINC000675974295 483389363 /nfs/dbraw/zinc/38/93/63/483389363.db2.gz LLTZXTYJEDXDSP-UHFFFAOYSA-N -1 1 273.292 1.500 20 0 CDADMM C[C@@H]1c2ccc(F)cc2CCN1Cc1nc(=O)n(C)[n-]1 ZINC000680376522 483601125 /nfs/dbraw/zinc/60/11/25/483601125.db2.gz YCJCMWRGVMFQNX-SECBINFHSA-N -1 1 276.315 1.367 20 0 CDADMM Cc1cc([C@@H](C)NCc2cc(C(=O)[O-])c(C)n2C)n(C)n1 ZINC001600144062 1174378734 /nfs/dbraw/zinc/37/87/34/1174378734.db2.gz UDHPWUNSHDNLKQ-SNVBAGLBSA-N -1 1 290.367 1.924 20 0 CDADMM O=S(=O)(Cc1c(F)cccc1F)[N-]Cc1ccno1 ZINC000351919227 518202712 /nfs/dbraw/zinc/20/27/12/518202712.db2.gz NQTWJTGVBZWZCA-UHFFFAOYSA-N -1 1 288.275 1.572 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@H](CO)O1 ZINC000191721938 534418204 /nfs/dbraw/zinc/41/82/04/534418204.db2.gz NFZLRCHSWWNYML-PSASIEDQSA-N -1 1 285.727 1.267 20 0 CDADMM CCCCCNC(=O)[C@H](C)N[C@@H](C(=O)[O-])C1CC1 ZINC000054522486 520217939 /nfs/dbraw/zinc/21/79/39/520217939.db2.gz SZXNIZCESBQWGQ-GXSJLCMTSA-N -1 1 256.346 1.134 20 0 CDADMM CCC(C)(C)NC(=O)[C@H](C)S(=O)(=O)c1ccc([O-])cc1 ZINC000049489229 521344957 /nfs/dbraw/zinc/34/49/57/521344957.db2.gz YTOOTBVUNJDZAM-JTQLQIEISA-N -1 1 299.392 1.859 20 0 CDADMM CCCN(CC(=O)NC)C(=O)c1ccc([O-])cc1F ZINC000181164221 521544174 /nfs/dbraw/zinc/54/41/74/521544174.db2.gz OPOHZINTJKAMJU-UHFFFAOYSA-N -1 1 268.288 1.130 20 0 CDADMM CC[C@H](C)[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000057305142 521934330 /nfs/dbraw/zinc/93/43/30/521934330.db2.gz QGHXNONQHUKNNG-IUCAKERBSA-N -1 1 288.369 1.352 20 0 CDADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C2CC2)o1 ZINC000370761880 522272909 /nfs/dbraw/zinc/27/29/09/522272909.db2.gz YDLNKIBKUVVVEK-SNVBAGLBSA-N -1 1 298.364 1.202 20 0 CDADMM Cc1ccnc([C@H](NC(=O)c2cncc([O-])c2)C2CC2)n1 ZINC000339937145 525715276 /nfs/dbraw/zinc/71/52/76/525715276.db2.gz CCZYDNGAOMDLRM-CYBMUJFWSA-N -1 1 284.319 1.767 20 0 CDADMM O=C([O-])[C@@]1(NCc2ccc(F)cc2Cl)CCOC1 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C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccsc1 ZINC000095230663 1174516022 /nfs/dbraw/zinc/51/60/22/1174516022.db2.gz SRQPVHMQYIOAJK-SSDOTTSWSA-N -1 1 273.325 1.891 20 0 CDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccsc1 ZINC000095230663 1174516027 /nfs/dbraw/zinc/51/60/27/1174516027.db2.gz SRQPVHMQYIOAJK-SSDOTTSWSA-N -1 1 273.325 1.891 20 0 CDADMM Cc1csc2nc(-c3ncn(CC(=O)[O-])n3)[nH]c(=O)c12 ZINC001600664628 1174554534 /nfs/dbraw/zinc/55/45/34/1174554534.db2.gz IJUNTYVZMSBGLG-UHFFFAOYSA-N -1 1 291.292 1.048 20 0 CDADMM Cc1nc([C@H](C)OC(=O)c2ccc(C(=O)[O-])c(F)c2)n[nH]1 ZINC001600666741 1174555690 /nfs/dbraw/zinc/55/56/90/1174555690.db2.gz AKRGFCOCRSVWMT-LURJTMIESA-N -1 1 293.254 1.868 20 0 CDADMM Cc1nnc(SCC(=O)N2CCCCC[C@@H]2C(=O)[O-])[nH]1 ZINC001600674646 1174558139 /nfs/dbraw/zinc/55/81/39/1174558139.db2.gz IIEVGTJYTYJDOA-SECBINFHSA-N -1 1 298.368 1.061 20 0 CDADMM Cc1n[nH]c(SCC(=O)N2CCCCC[C@@H]2C(=O)[O-])n1 ZINC001600674646 1174558144 /nfs/dbraw/zinc/55/81/44/1174558144.db2.gz 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ZINC000734552732 575357822 /nfs/dbraw/zinc/35/78/22/575357822.db2.gz NDJVZNDRVAGWDU-JTQLQIEISA-N -1 1 299.754 1.971 20 0 CDADMM O=C(NN1CCCC1=O)c1cc(Cl)ccc1[O-] ZINC000770546434 575464509 /nfs/dbraw/zinc/46/45/09/575464509.db2.gz KRLVXRIRWVDCHZ-UHFFFAOYSA-N -1 1 254.673 1.313 20 0 CDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)c2ccccc21 ZINC000736290504 575613767 /nfs/dbraw/zinc/61/37/67/575613767.db2.gz ATSSKQXAPMOVTK-SECBINFHSA-N -1 1 279.307 1.912 20 0 CDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)c2ccccc21 ZINC000736290504 575613770 /nfs/dbraw/zinc/61/37/70/575613770.db2.gz ATSSKQXAPMOVTK-SECBINFHSA-N -1 1 279.307 1.912 20 0 CDADMM CC[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC000736404775 575649858 /nfs/dbraw/zinc/64/98/58/575649858.db2.gz AVVGOOKLCNQEAM-UWVGGRQHSA-N -1 1 274.328 1.265 20 0 CDADMM CC[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC000736404775 575649860 /nfs/dbraw/zinc/64/98/60/575649860.db2.gz AVVGOOKLCNQEAM-UWVGGRQHSA-N -1 1 274.328 1.265 20 0 CDADMM CCCCN(C)[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736453064 575665410 /nfs/dbraw/zinc/66/54/10/575665410.db2.gz LKDZREHGHBQATE-LBPRGKRZSA-N -1 1 288.355 1.125 20 0 CDADMM CC(C)N(CC(N)=O)Cc1ccc(F)cc1C(=O)[O-] ZINC000736463636 575670289 /nfs/dbraw/zinc/67/02/89/575670289.db2.gz UNLUPBUSVDUHNP-UHFFFAOYSA-N -1 1 268.288 1.220 20 0 CDADMM C[C@@H](CN(CC(=O)N(C)c1ccccc1)C1CC1)C(=O)[O-] ZINC000736578178 575695428 /nfs/dbraw/zinc/69/54/28/575695428.db2.gz IQKBGVDTEJDIPJ-LBPRGKRZSA-N -1 1 290.363 1.835 20 0 CDADMM O=C(NC[C@@H](O)c1cccnc1)c1c([O-])cccc1Cl ZINC000772498829 575711204 /nfs/dbraw/zinc/71/12/04/575711204.db2.gz JXJQGDAQMRXJLW-GFCCVEGCSA-N -1 1 292.722 1.904 20 0 CDADMM CN(CC1CCCC1)c1nccnc1-c1nnn[n-]1 ZINC000736792583 575747754 /nfs/dbraw/zinc/74/77/54/575747754.db2.gz FWKWHEYSDNRERU-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CN(CC1CCCC1)c1nccnc1-c1nn[n-]n1 ZINC000736792583 575747758 /nfs/dbraw/zinc/74/77/58/575747758.db2.gz FWKWHEYSDNRERU-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CC[C@H](C)[C@@H](N[C@H](C)C(=O)NCc1ccco1)C(=O)[O-] ZINC000736879466 575768073 /nfs/dbraw/zinc/76/80/73/575768073.db2.gz DVVOBGLTNXXVMY-HOSYDEDBSA-N -1 1 282.340 1.373 20 0 CDADMM CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000736939896 575773919 /nfs/dbraw/zinc/77/39/19/575773919.db2.gz BXJSQUWDSBZSDF-RWMBFGLXSA-N -1 1 284.400 1.819 20 0 CDADMM CCN(CC(=O)[O-])Cc1nccn1CC(F)(F)F ZINC000737076084 575811845 /nfs/dbraw/zinc/81/18/45/575811845.db2.gz WHWIJSIPXDWTGB-UHFFFAOYSA-N -1 1 265.235 1.352 20 0 CDADMM CCN1CCCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000737114505 575826928 /nfs/dbraw/zinc/82/69/28/575826928.db2.gz JPTNGOWZZQRYRE-RYUDHWBXSA-N -1 1 283.372 1.119 20 0 CDADMM CN(Cc1ccco1)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000773712520 575835786 /nfs/dbraw/zinc/83/57/86/575835786.db2.gz KOSCGJJLJXBZJP-UHFFFAOYSA-N -1 1 288.332 1.883 20 0 CDADMM CS[C@H](C(=O)OCc1nn[n-]n1)c1ccccc1 ZINC000737171001 575837026 /nfs/dbraw/zinc/83/70/26/575837026.db2.gz MQBGDEKLCLEZOH-JTQLQIEISA-N -1 1 264.310 1.347 20 0 CDADMM O=C(NCc1ccc(Cl)nc1)C(=O)c1ccc([O-])cc1 ZINC000773829796 575839755 /nfs/dbraw/zinc/83/97/55/575839755.db2.gz FRWDEISWCTUNIE-UHFFFAOYSA-N -1 1 290.706 1.940 20 0 CDADMM CC/C(C)=C(\C)C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000774002352 575847599 /nfs/dbraw/zinc/84/75/99/575847599.db2.gz AQAGNSSFRJOWLV-NCXKZPMSSA-N -1 1 251.334 1.508 20 0 CDADMM CS[C@@H]1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC000737180395 575896630 /nfs/dbraw/zinc/89/66/30/575896630.db2.gz QDAHZRZKIGLABD-RKDXNWHRSA-N -1 1 291.384 1.743 20 0 CDADMM CS[C@@H]1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC000737180395 575896631 /nfs/dbraw/zinc/89/66/31/575896631.db2.gz QDAHZRZKIGLABD-RKDXNWHRSA-N -1 1 291.384 1.743 20 0 CDADMM CSc1ccc(C(=O)N2CCC(c3nn[n-]n3)CC2)o1 ZINC000737192927 575899212 /nfs/dbraw/zinc/89/92/12/575899212.db2.gz MKGIWGOPBOSXOQ-UHFFFAOYSA-N -1 1 293.352 1.534 20 0 CDADMM CCN(CCc1ccccn1)C(=O)c1ncccc1[O-] ZINC000764362849 575901336 /nfs/dbraw/zinc/90/13/36/575901336.db2.gz UARHIHVNQDMQBE-UHFFFAOYSA-N 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576869037 /nfs/dbraw/zinc/86/90/37/576869037.db2.gz ZFJZUDRCNMNPLO-UHFFFAOYSA-N -1 1 297.380 1.511 20 0 CDADMM NC(=O)NC1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000748366350 576909251 /nfs/dbraw/zinc/90/92/51/576909251.db2.gz IVFQQGWTYOSCRG-UHFFFAOYSA-N -1 1 297.742 1.319 20 0 CDADMM COCCO[N-]C(=O)[C@@H](C)c1cccc(OC)c1 ZINC000748777505 576924529 /nfs/dbraw/zinc/92/45/29/576924529.db2.gz USHYRXYISMOUDH-JTQLQIEISA-N -1 1 253.298 1.493 20 0 CDADMM CC[C@@H](C)c1ccc(C(=O)NN2CC(=O)[N-]C2=O)cc1 ZINC000755673630 576954745 /nfs/dbraw/zinc/95/47/45/576954745.db2.gz ZDPXLJKFRWOBMW-SECBINFHSA-N -1 1 275.308 1.397 20 0 CDADMM O=C(CCOC[C@@H]1CCCO1)[N-]O[C@H]1CCCCO1 ZINC000749620299 576955978 /nfs/dbraw/zinc/95/59/78/576955978.db2.gz PZAIMRYGKGAPQM-AAEUAGOBSA-N -1 1 273.329 1.147 20 0 CDADMM CC(=CC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1)C1CC1 ZINC000749737141 576960265 /nfs/dbraw/zinc/96/02/65/576960265.db2.gz RRPIRILRWNAYRJ-CFYYFVFUSA-N -1 1 283.335 1.762 20 0 CDADMM C/C(=C/C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1)C1CC1 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298.350 1.622 20 0 CDADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@H](C)S1 ZINC000095255981 599074255 /nfs/dbraw/zinc/07/42/55/599074255.db2.gz XPOYEMDUHXPUDB-DTORHVGOSA-N -1 1 276.369 1.592 20 0 CDADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@H](C)S1 ZINC000095255981 599074257 /nfs/dbraw/zinc/07/42/57/599074257.db2.gz XPOYEMDUHXPUDB-DTORHVGOSA-N -1 1 276.369 1.592 20 0 CDADMM C[C@@H](Sc1cccc(F)c1-c1nn[n-]n1)[C@H](C)O ZINC000095137102 599098823 /nfs/dbraw/zinc/09/88/23/599098823.db2.gz PJOTZXYNOLWBGY-NKWVEPMBSA-N -1 1 268.317 1.867 20 0 CDADMM O=C([O-])c1cc(CNC[C@H]2CCC3(CCOCC3)O2)on1 ZINC001602257815 1175184274 /nfs/dbraw/zinc/18/42/74/1175184274.db2.gz FDOLKBMVMBPZGR-SNVBAGLBSA-N -1 1 296.323 1.191 20 0 CDADMM NC(=O)c1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000822889738 607310795 /nfs/dbraw/zinc/31/07/95/607310795.db2.gz DCTUJPMAAAYGAJ-UHFFFAOYSA-N -1 1 284.279 1.171 20 0 CDADMM NC(=O)c1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000822889738 607310796 /nfs/dbraw/zinc/31/07/96/607310796.db2.gz 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/nfs/dbraw/zinc/44/90/46/630449046.db2.gz WTRNLEDYXOUFAY-XHDPSFHLSA-N -1 1 285.351 1.742 20 0 CDADMM CCC[C@@H](C(=O)N1CCOC[C@H]1c1nn[n-]n1)C(C)C ZINC000913494820 630501292 /nfs/dbraw/zinc/50/12/92/630501292.db2.gz DDSATYWHFCDOBO-MNOVXSKESA-N -1 1 281.360 1.172 20 0 CDADMM CCCC1(C(=O)N2CCC(c3nn[n-]n3)CC2)CCC1 ZINC000913743550 630742150 /nfs/dbraw/zinc/74/21/50/630742150.db2.gz AKZKBRLUHCTPEE-UHFFFAOYSA-N -1 1 277.372 1.876 20 0 CDADMM CCSc1nnc(Sc2c(C)[nH][nH]c2=O)s1 ZINC000915447192 631725234 /nfs/dbraw/zinc/72/52/34/631725234.db2.gz YFPLZWCQOQVDCH-RXMQYKEDSA-N -1 1 274.396 1.617 20 0 CDADMM CCSc1nnc(Sc2c(C)[nH][n-]c2=O)s1 ZINC000915447192 631725241 /nfs/dbraw/zinc/72/52/41/631725241.db2.gz YFPLZWCQOQVDCH-RXMQYKEDSA-N -1 1 274.396 1.617 20 0 CDADMM CCc1ccc(NC(=O)CN[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000035391266 632066777 /nfs/dbraw/zinc/06/67/77/632066777.db2.gz OIVJABJWKCBTPC-CQSZACIVSA-N -1 1 278.352 1.886 20 0 CDADMM CCN(C(=O)CN[C@@H](C(=O)[O-])C(C)C)C1CCCCC1 ZINC000035391364 632072593 /nfs/dbraw/zinc/07/25/93/632072593.db2.gz ZUQTTWIIGNWBSB-CQSZACIVSA-N -1 1 284.400 1.866 20 0 CDADMM O=C(NCCn1cccn1)c1c([O-])cccc1Cl ZINC000920457242 632783116 /nfs/dbraw/zinc/78/31/16/632783116.db2.gz OESHEZXHRTUTMJ-UHFFFAOYSA-N -1 1 265.700 1.672 20 0 CDADMM CCC1(C(=O)[N-]O[C@H](CO)C(C)C)CCOCC1 ZINC000836890354 712105648 /nfs/dbraw/zinc/10/56/48/712105648.db2.gz IFAONCABEGLTEO-LLVKDONJSA-N -1 1 259.346 1.258 20 0 CDADMM Cc1c(Cl)ncnc1Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001170214112 1162301455 /nfs/dbraw/zinc/30/14/55/1162301455.db2.gz WOGSZXYBWYWGLX-UHFFFAOYSA-N -1 1 293.674 1.211 20 0 CDADMM O=c1nc2nc[nH]c2c(Nc2ccc3[nH]c(=S)[nH]c3c2)[n-]1 ZINC001170228124 1162317248 /nfs/dbraw/zinc/31/72/48/1162317248.db2.gz DJRBHVJIQWAICF-UHFFFAOYSA-N -1 1 299.319 1.967 20 0 CDADMM COCc1nc(C)cc(Nc2[n-]c(=O)nc3nc[nH]c32)n1 ZINC001170227207 1162316491 /nfs/dbraw/zinc/31/64/91/1162316491.db2.gz GWPVDMMCAONLDK-UHFFFAOYSA-N -1 1 287.283 1.047 20 0 CDADMM CCc1cc(C)nc(Nc2[n-]c(=O)nc3nc[nH]c32)n1 ZINC001170227433 1162317030 /nfs/dbraw/zinc/31/70/30/1162317030.db2.gz MPGTWYVXJQVDTG-UHFFFAOYSA-N -1 1 271.284 1.463 20 0 CDADMM Cc1nc2c(ncc(Nc3[n-]c(=O)nc4nc[nH]c43)c2C)[nH]1 ZINC001170230180 1162319016 /nfs/dbraw/zinc/31/90/16/1162319016.db2.gz MMUYNHCMAAERND-UHFFFAOYSA-N -1 1 296.294 1.690 20 0 CDADMM O=C1COc2nc(-c3ccc([O-])cc3F)ncc2N1 ZINC001206051259 1162355854 /nfs/dbraw/zinc/35/58/54/1162355854.db2.gz INUOZXGDNQMUIQ-UHFFFAOYSA-N -1 1 261.212 1.319 20 0 CDADMM CC(=O)c1ccccc1OCCOC(=O)c1cn[n-]n1 ZINC000805605363 1162585930 /nfs/dbraw/zinc/58/59/30/1162585930.db2.gz YOHHGCBNBRUIIK-UHFFFAOYSA-N -1 1 275.264 1.243 20 0 CDADMM O=C(O[C@@H]1CCCc2ccccc2C1=O)c1cn[n-]n1 ZINC000805606497 1162585565 /nfs/dbraw/zinc/58/55/65/1162585565.db2.gz XWGSBIBLGZIZNB-GFCCVEGCSA-N -1 1 271.276 1.549 20 0 CDADMM O=C(COC(=O)c1cn[n-]n1)Nc1ccccc1Cl ZINC000805602879 1162583707 /nfs/dbraw/zinc/58/37/07/1162583707.db2.gz DDUKHXPJYUAGLJ-UHFFFAOYSA-N -1 1 280.671 1.254 20 0 CDADMM COc1c(C)cnc(COC(=O)c2cn[n-]n2)c1C ZINC000805603228 1162583873 /nfs/dbraw/zinc/58/38/73/1162583873.db2.gz HAXYCNZCMFGZLD-UHFFFAOYSA-N -1 1 262.269 1.182 20 0 CDADMM C[C@H](Cc1ccco1)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000806439809 1162680152 /nfs/dbraw/zinc/68/01/52/1162680152.db2.gz SGPZYUVWYDXJEX-SNVBAGLBSA-N -1 1 273.288 1.915 20 0 CDADMM C[C@H]1CSC[C@@H]1NC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806487122 1162683809 /nfs/dbraw/zinc/68/38/09/1162683809.db2.gz QJBOTBPNXIXLGW-KWQFWETISA-N -1 1 291.380 1.215 20 0 CDADMM Cc1cc(=O)[nH]c2cc(C(=O)N(C)c3nn[n-]n3)ccc12 ZINC001130972104 1162760945 /nfs/dbraw/zinc/76/09/45/1162760945.db2.gz NZTPOCXXOQGQLY-UHFFFAOYSA-N -1 1 284.279 1.039 20 0 CDADMM O=C(Nc1c[n-][nH]c1=O)c1cc(-c2ccccc2)n[nH]1 ZINC001648814781 1158574892 /nfs/dbraw/zinc/57/48/92/1158574892.db2.gz YOSTWLVZYKVQDV-UHFFFAOYSA-N -1 1 269.264 1.758 20 0 CDADMM C/C(=C\Cl)CSc1ccc(-c2nnn[n-]2)nn1 ZINC001602901993 1175447963 /nfs/dbraw/zinc/44/79/63/1175447963.db2.gz PUVWMKMCDOLNOM-GQCTYLIASA-N -1 1 268.733 1.891 20 0 CDADMM C/C(=C\Cl)CSc1ccc(-c2nn[n-]n2)nn1 ZINC001602901993 1175447966 /nfs/dbraw/zinc/44/79/66/1175447966.db2.gz PUVWMKMCDOLNOM-GQCTYLIASA-N -1 1 268.733 1.891 20 0 CDADMM CCCC(N)=[NH+]OCc1ccc(-c2nn[nH]n2)s1 ZINC001604145387 1163106018 /nfs/dbraw/zinc/10/60/18/1163106018.db2.gz YUKCYIJHQYGWCN-UHFFFAOYSA-N -1 1 266.330 1.727 20 0 CDADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1cccnc1 ZINC000345463479 1160298538 /nfs/dbraw/zinc/29/85/38/1160298538.db2.gz OHTUZXVNFBOHSH-UHFFFAOYSA-N -1 1 296.290 1.426 20 0 CDADMM CCCC[C@H](C)OC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001604161851 1163112125 /nfs/dbraw/zinc/11/21/25/1163112125.db2.gz BYGAFIWLKCPOMZ-JTQLQIEISA-N -1 1 289.339 1.926 20 0 CDADMM CCCC[C@H](C)OC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001604161851 1163112130 /nfs/dbraw/zinc/11/21/30/1163112130.db2.gz BYGAFIWLKCPOMZ-JTQLQIEISA-N -1 1 289.339 1.926 20 0 CDADMM C[C@H](C[N@@H+](CCC(=O)[O-])CC(=O)[O-])c1ccc(F)cc1 ZINC001604161252 1163112722 /nfs/dbraw/zinc/11/27/22/1163112722.db2.gz 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ZINC001604660224 1163271048 /nfs/dbraw/zinc/27/10/48/1163271048.db2.gz IPZOJFNXFGMTRW-UHFFFAOYSA-N -1 1 286.339 1.666 20 0 CDADMM CN(C(=O)c1ccnc(-c2nn[n-]n2)c1)C1(C)CCCC1 ZINC001604660224 1163271054 /nfs/dbraw/zinc/27/10/54/1163271054.db2.gz IPZOJFNXFGMTRW-UHFFFAOYSA-N -1 1 286.339 1.666 20 0 CDADMM C[C@@H]1OCC[C@@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001604835021 1163346596 /nfs/dbraw/zinc/34/65/96/1163346596.db2.gz PBRXUSCDXACXKA-YUMQZZPRSA-N -1 1 289.291 1.625 20 0 CDADMM CO[C@@H]1C[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1(C)C ZINC001605023401 1163421006 /nfs/dbraw/zinc/42/10/06/1163421006.db2.gz DVPJBTZKQXNMFG-NXEZZACHSA-N -1 1 289.343 1.191 20 0 CDADMM CO[C@@H]1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1(C)C ZINC001605023401 1163421010 /nfs/dbraw/zinc/42/10/10/1163421010.db2.gz DVPJBTZKQXNMFG-NXEZZACHSA-N -1 1 289.343 1.191 20 0 CDADMM CO[C@H]1C[C@@H](N(C)C(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001605153824 1163470931 /nfs/dbraw/zinc/47/09/31/1163470931.db2.gz PBSRWXDYBVBDOI-OCAPTIKFSA-N -1 1 293.352 1.178 20 0 CDADMM CO[C@H]1C[C@@H](N(C)C(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001605153824 1163470936 /nfs/dbraw/zinc/47/09/36/1163470936.db2.gz PBSRWXDYBVBDOI-OCAPTIKFSA-N -1 1 293.352 1.178 20 0 CDADMM CC[C@H]1CN(C)CCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001605174429 1163478020 /nfs/dbraw/zinc/47/80/20/1163478020.db2.gz WCMOQITYYGSEBV-ZDUSSCGKSA-N -1 1 291.351 1.943 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](C)[C@@H]2C)n1 ZINC001605559810 1163609194 /nfs/dbraw/zinc/60/91/94/1163609194.db2.gz JYXJSGUYFZTNRK-APPZFPTMSA-N -1 1 259.317 1.200 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](C)[C@@H]2C)n1 ZINC001605559810 1163609195 /nfs/dbraw/zinc/60/91/95/1163609195.db2.gz JYXJSGUYFZTNRK-APPZFPTMSA-N -1 1 259.317 1.200 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]2C(C)(C)C)n1 ZINC001605560117 1163609434 /nfs/dbraw/zinc/60/94/34/1163609434.db2.gz PUZNMOQCFAQIKT-SNVBAGLBSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]2C(C)(C)C)n1 ZINC001605560117 1163609436 /nfs/dbraw/zinc/60/94/36/1163609436.db2.gz PUZNMOQCFAQIKT-SNVBAGLBSA-N -1 1 273.344 1.590 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(NC2(CCO)CCCC2)n1 ZINC001605568691 1163612670 /nfs/dbraw/zinc/61/26/70/1163612670.db2.gz NZRYQVBEBXXIMP-UHFFFAOYSA-N -1 1 289.343 1.072 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(NC2(CCO)CCCC2)n1 ZINC001605568691 1163612676 /nfs/dbraw/zinc/61/26/76/1163612676.db2.gz NZRYQVBEBXXIMP-UHFFFAOYSA-N -1 1 289.343 1.072 20 0 CDADMM CCOc1ccc(Cl)cc1CN1CC[C@](O)(C(=O)[O-])C1 ZINC001605690951 1163642486 /nfs/dbraw/zinc/64/24/86/1163642486.db2.gz WCMLYLXXHZHFQJ-CQSZACIVSA-N -1 1 299.754 1.760 20 0 CDADMM Cc1cc(N2CCO[C@@H](C3CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001605700243 1163645143 /nfs/dbraw/zinc/64/51/43/1163645143.db2.gz OIULOPIWNVFCQL-CYBMUJFWSA-N -1 1 286.339 1.185 20 0 CDADMM Cc1cc(N2CCO[C@@H](C3CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001605700243 1163645149 /nfs/dbraw/zinc/64/51/49/1163645149.db2.gz OIULOPIWNVFCQL-CYBMUJFWSA-N -1 1 286.339 1.185 20 0 CDADMM Cc1cc(N[C@@H]2CCCC2(C)C)cc(-c2nnn[n-]2)n1 ZINC001605722717 1163651862 /nfs/dbraw/zinc/65/18/62/1163651862.db2.gz IYAPTKWEHVATMA-GFCCVEGCSA-N -1 1 272.356 1.983 20 0 CDADMM Cc1cc(N[C@@H]2CCCC2(C)C)cc(-c2nn[n-]n2)n1 ZINC001605722717 1163651863 /nfs/dbraw/zinc/65/18/63/1163651863.db2.gz IYAPTKWEHVATMA-GFCCVEGCSA-N -1 1 272.356 1.983 20 0 CDADMM Cc1cc(NC[C@@](C)(O)C2CC2)cc(-c2nnn[n-]2)n1 ZINC001605727005 1163653249 /nfs/dbraw/zinc/65/32/49/1163653249.db2.gz ORUURBZCJGRIKE-CYBMUJFWSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cc(NC[C@@](C)(O)C2CC2)cc(-c2nn[n-]n2)n1 ZINC001605727005 1163653252 /nfs/dbraw/zinc/65/32/52/1163653252.db2.gz ORUURBZCJGRIKE-CYBMUJFWSA-N -1 1 274.328 1.143 20 0 CDADMM CCc1cc(=O)[n-]c(C[N@@H+]2CCCCC[C@@H]2C(=O)[O-])n1 ZINC001605800189 1163674832 /nfs/dbraw/zinc/67/48/32/1163674832.db2.gz OPTRKIWOGXPSDS-LLVKDONJSA-N -1 1 279.340 1.574 20 0 CDADMM CCc1cc(=O)[n-]c(C[N@H+]2CCCCC[C@@H]2C(=O)[O-])n1 ZINC001605800189 1163674835 /nfs/dbraw/zinc/67/48/35/1163674835.db2.gz OPTRKIWOGXPSDS-LLVKDONJSA-N -1 1 279.340 1.574 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N1C[C@@H](C)C(O)[C@H](C)C1 ZINC001605803043 1163677651 /nfs/dbraw/zinc/67/76/51/1163677651.db2.gz WNYIXHLNCVGDAC-NXEZZACHSA-N -1 1 288.355 1.023 20 0 CDADMM Cc1ccc(N2C[C@@H]3C[C@H]2CS3)nc1-c1nnn[n-]1 ZINC001605869067 1163697836 /nfs/dbraw/zinc/69/78/36/1163697836.db2.gz VRGWQKUGIXEREI-IUCAKERBSA-N -1 1 274.353 1.264 20 0 CDADMM Cc1ccc(N2C[C@@H]3C[C@H]2CS3)nc1-c1nn[n-]n1 ZINC001605869067 1163697838 /nfs/dbraw/zinc/69/78/38/1163697838.db2.gz VRGWQKUGIXEREI-IUCAKERBSA-N -1 1 274.353 1.264 20 0 CDADMM Cc1ccc(N[C@H](C)CC[S@](C)=O)c(-c2nnn[n-]2)n1 ZINC001605871957 1163700964 /nfs/dbraw/zinc/70/09/64/1163700964.db2.gz OVAIOBMTVWBJML-YBYGRFCBSA-N -1 1 294.384 1.139 20 0 CDADMM Cc1ccc(N[C@H](C)CC[S@](C)=O)c(-c2nn[n-]n2)n1 ZINC001605871957 1163700968 /nfs/dbraw/zinc/70/09/68/1163700968.db2.gz OVAIOBMTVWBJML-YBYGRFCBSA-N -1 1 294.384 1.139 20 0 CDADMM Cc1ccc2c(c1)N(C(=O)c1ccc(-c3nn[n-]n3)o1)CC2 ZINC001605888936 1163705849 /nfs/dbraw/zinc/70/58/49/1163705849.db2.gz VRZYMFNYEHLCIC-UHFFFAOYSA-N -1 1 295.302 1.971 20 0 CDADMM Cc1cccc(F)c1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001605916733 1163713592 /nfs/dbraw/zinc/71/35/92/1163713592.db2.gz RNFPHQJOEHEBTH-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1cccc(F)c1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001605916733 1163713602 /nfs/dbraw/zinc/71/36/02/1163713602.db2.gz RNFPHQJOEHEBTH-UHFFFAOYSA-N -1 1 285.286 1.716 20 0 CDADMM Cc1ccn(CCSC(C)C)c(=O)c1-c1nn[n-]n1 ZINC001605948551 1163723397 /nfs/dbraw/zinc/72/33/97/1163723397.db2.gz BHTPOIUZOOBIFR-UHFFFAOYSA-N -1 1 279.369 1.478 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC3CCC2CC3)n1 ZINC001606019836 1163748313 /nfs/dbraw/zinc/74/83/13/1163748313.db2.gz NGHFZWFBQUTTCN-UHFFFAOYSA-N -1 1 271.328 1.344 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC3CCC2CC3)n1 ZINC001606019836 1163748319 /nfs/dbraw/zinc/74/83/19/1163748319.db2.gz NGHFZWFBQUTTCN-UHFFFAOYSA-N -1 1 271.328 1.344 20 0 CDADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCC(F)(F)F)n1 ZINC001606036015 1163752691 /nfs/dbraw/zinc/75/26/91/1163752691.db2.gz YTTNXEDODRWTOG-UHFFFAOYSA-N -1 1 290.274 1.928 20 0 CDADMM Cc1nc(N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc(-c2nnn[n-]2)n1 ZINC001606063703 1163760464 /nfs/dbraw/zinc/76/04/64/1163760464.db2.gz RACCUPVDJFWOBJ-RNLVFQAGSA-N -1 1 293.281 1.421 20 0 CDADMM Cc1nc(N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc(-c2nn[n-]n2)n1 ZINC001606063703 1163760472 /nfs/dbraw/zinc/76/04/72/1163760472.db2.gz RACCUPVDJFWOBJ-RNLVFQAGSA-N -1 1 293.281 1.421 20 0 CDADMM Cc1nc(NC2(C3(C)CC3)CC2)cc(-c2nnn[n-]2)n1 ZINC001606064696 1163762010 /nfs/dbraw/zinc/76/20/10/1163762010.db2.gz DCAQCDQFATUVQX-UHFFFAOYSA-N -1 1 271.328 1.710 20 0 CDADMM Cc1nc(NC2(C3(C)CC3)CC2)cc(-c2nn[n-]n2)n1 ZINC001606064696 1163762015 /nfs/dbraw/zinc/76/20/15/1163762015.db2.gz DCAQCDQFATUVQX-UHFFFAOYSA-N -1 1 271.328 1.710 20 0 CDADMM Cc1nc(NCc2cccnc2C)cc(-c2nnn[n-]2)n1 ZINC001606077634 1163765931 /nfs/dbraw/zinc/76/59/31/1163765931.db2.gz ZLJDJRFQLHOIHK-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1nc(NCc2cccnc2C)cc(-c2nn[n-]n2)n1 ZINC001606077634 1163765935 /nfs/dbraw/zinc/76/59/35/1163765935.db2.gz ZLJDJRFQLHOIHK-UHFFFAOYSA-N -1 1 282.311 1.281 20 0 CDADMM Cc1ncoc1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001606102643 1163773648 /nfs/dbraw/zinc/77/36/48/1163773648.db2.gz QUKYDBATNOBNJK-UHFFFAOYSA-N -1 1 297.731 1.885 20 0 CDADMM Cc1ncoc1CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001606102643 1163773655 /nfs/dbraw/zinc/77/36/55/1163773655.db2.gz QUKYDBATNOBNJK-UHFFFAOYSA-N -1 1 297.731 1.885 20 0 CDADMM Cc1nsc(N[C@@H](C)[C@H](C)CO)c1-c1nn[n-]n1 ZINC001606150507 1163789347 /nfs/dbraw/zinc/78/93/47/1163789347.db2.gz DENZRHROWPQTMD-RITPCOANSA-N -1 1 268.346 1.060 20 0 CDADMM Fc1cccc(CNCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001606328003 1163862890 /nfs/dbraw/zinc/86/28/90/1163862890.db2.gz RZXYXEJCNWDUPW-UHFFFAOYSA-N -1 1 291.315 1.147 20 0 CDADMM Fc1cccc(CNCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001606328003 1163862894 /nfs/dbraw/zinc/86/28/94/1163862894.db2.gz RZXYXEJCNWDUPW-UHFFFAOYSA-N -1 1 291.315 1.147 20 0 CDADMM COC(=O)CCN(Cc1cc(C(=O)[O-])no1)C(C)C ZINC001606455102 1163907586 /nfs/dbraw/zinc/90/75/86/1163907586.db2.gz QHEJLBQXNURCSS-UHFFFAOYSA-N -1 1 270.285 1.146 20 0 CDADMM O=C(C=Cc1cccs1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606487528 1163914144 /nfs/dbraw/zinc/91/41/44/1163914144.db2.gz SOTNRMUWQPFQGC-VOTSOKGWSA-N -1 1 298.331 1.975 20 0 CDADMM O=C(C=Cc1cccs1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606487528 1163914153 /nfs/dbraw/zinc/91/41/53/1163914153.db2.gz SOTNRMUWQPFQGC-VOTSOKGWSA-N -1 1 298.331 1.975 20 0 CDADMM O=C(N[C@@H]1CCC[C@H](F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606663452 1163952840 /nfs/dbraw/zinc/95/28/40/1163952840.db2.gz NZMGGPMRNAAMFA-VHSXEESVSA-N -1 1 290.302 1.272 20 0 CDADMM O=C(N[C@@H]1CCC[C@H](F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606663452 1163952845 /nfs/dbraw/zinc/95/28/45/1163952845.db2.gz NZMGGPMRNAAMFA-VHSXEESVSA-N -1 1 290.302 1.272 20 0 CDADMM O=C(NC1Cc2ccccc2C1)c1ccc(-c2nnn[n-]2)o1 ZINC001606696435 1163963092 /nfs/dbraw/zinc/96/30/92/1163963092.db2.gz PFFLKRZIFVTYHR-UHFFFAOYSA-N -1 1 295.302 1.357 20 0 CDADMM O=C(NC1Cc2ccccc2C1)c1ccc(-c2nn[n-]n2)o1 ZINC001606696435 1163963095 /nfs/dbraw/zinc/96/30/95/1163963095.db2.gz PFFLKRZIFVTYHR-UHFFFAOYSA-N -1 1 295.302 1.357 20 0 CDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)C1CC2(CCC2)C1 ZINC001606842632 1164012801 /nfs/dbraw/zinc/01/28/01/1164012801.db2.gz ZNHUJOGECOHKTG-UHFFFAOYSA-N -1 1 298.350 1.458 20 0 CDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)C1CC2(CCC2)C1 ZINC001606842632 1164012806 /nfs/dbraw/zinc/01/28/06/1164012806.db2.gz ZNHUJOGECOHKTG-UHFFFAOYSA-N -1 1 298.350 1.458 20 0 CDADMM COCCN(CCC(=O)[O-])Cc1ccc(F)cn1 ZINC001606886902 1164025554 /nfs/dbraw/zinc/02/55/54/1164025554.db2.gz RDIYLOQFALOIIN-UHFFFAOYSA-N -1 1 256.277 1.144 20 0 CDADMM COCCO[C@@H]1CCN(Cc2cc(C(=O)[O-])c(C)[nH]2)C1 ZINC001606901144 1164026936 /nfs/dbraw/zinc/02/69/36/1164026936.db2.gz IDIDOMJFORQGRX-GFCCVEGCSA-N -1 1 282.340 1.259 20 0 CDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cscc1Cl ZINC001606945462 1164036467 /nfs/dbraw/zinc/03/64/67/1164036467.db2.gz GDPWOXJQUOIDHX-UHFFFAOYSA-N -1 1 295.715 1.557 20 0 CDADMM O=C(OC1CCOCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606964038 1164041092 /nfs/dbraw/zinc/04/10/92/1164041092.db2.gz KBGCWHXXHXRKDG-UHFFFAOYSA-N -1 1 292.270 1.342 20 0 CDADMM O=C(OC1CCOCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606964038 1164041098 /nfs/dbraw/zinc/04/10/98/1164041098.db2.gz KBGCWHXXHXRKDG-UHFFFAOYSA-N -1 1 292.270 1.342 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC(C2CCCC2)C1 ZINC001607017185 1164060766 /nfs/dbraw/zinc/06/07/66/1164060766.db2.gz NMXDPEQDQYHLMQ-UHFFFAOYSA-N -1 1 287.323 1.722 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC(C2CCCC2)C1 ZINC001607017185 1164060771 /nfs/dbraw/zinc/06/07/71/1164060771.db2.gz NMXDPEQDQYHLMQ-UHFFFAOYSA-N -1 1 287.323 1.722 20 0 CDADMM O=c1c(-c2nn[n-]n2)c2c(cn1CC1CCC1)CCCC2 ZINC001607089539 1164074637 /nfs/dbraw/zinc/07/46/37/1164074637.db2.gz YVRYQTSHDIUYCK-UHFFFAOYSA-N -1 1 285.351 1.707 20 0 CDADMM c1c(-c2nnn[n-]2)nc(C2CC2)nc1N1CC[C@@H](C2CC2)C1 ZINC001607112416 1164092297 /nfs/dbraw/zinc/09/22/97/1164092297.db2.gz QYHYDNVYSLJTKN-LLVKDONJSA-N -1 1 297.366 1.770 20 0 CDADMM c1c(-c2nn[n-]n2)nc(C2CC2)nc1N1CC[C@@H](C2CC2)C1 ZINC001607112416 1164092306 /nfs/dbraw/zinc/09/23/06/1164092306.db2.gz QYHYDNVYSLJTKN-LLVKDONJSA-N -1 1 297.366 1.770 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1SCC1CCCC1 ZINC001607117376 1164099949 /nfs/dbraw/zinc/09/99/49/1164099949.db2.gz JSEWFSMJZZARCM-UHFFFAOYSA-N -1 1 262.342 1.939 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1SCC1CCCC1 ZINC001607117376 1164099955 /nfs/dbraw/zinc/09/99/55/1164099955.db2.gz JSEWFSMJZZARCM-UHFFFAOYSA-N -1 1 262.342 1.939 20 0 CDADMM c1cc(N2CC[C@H]2[C@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001607119661 1164100416 /nfs/dbraw/zinc/10/04/16/1164100416.db2.gz GGIRKKMQAPRURD-GWCFXTLKSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(N2CC[C@H]2[C@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001607119661 1164100419 /nfs/dbraw/zinc/10/04/19/1164100419.db2.gz GGIRKKMQAPRURD-GWCFXTLKSA-N -1 1 286.339 1.267 20 0 CDADMM c1cc(N(CC2CC2)CC2CCC2)nc(-c2nn[n-]n2)n1 ZINC001607119856 1164104027 /nfs/dbraw/zinc/10/40/27/1164104027.db2.gz JYZDJAMCMIPHOG-UHFFFAOYSA-N -1 1 285.355 1.673 20 0 CDADMM c1cc2c(s1)CCC[C@@H]2Nc1ccnc(-c2nn[n-]n2)n1 ZINC001607120274 1164104372 /nfs/dbraw/zinc/10/43/72/1164104372.db2.gz XTOLCGQEXAICFB-VIFPVBQESA-N -1 1 299.363 1.630 20 0 CDADMM c1ccc(CCNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001607128444 1164107476 /nfs/dbraw/zinc/10/74/76/1164107476.db2.gz NSHAUBMGFZZTQH-UHFFFAOYSA-N -1 1 267.296 1.311 20 0 CDADMM c1ccc(CCNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001607128444 1164107482 /nfs/dbraw/zinc/10/74/82/1164107482.db2.gz NSHAUBMGFZZTQH-UHFFFAOYSA-N -1 1 267.296 1.311 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(N[C@@H]2CCOC3(CCC3)C2)c1 ZINC001607133368 1164112079 /nfs/dbraw/zinc/11/20/79/1164112079.db2.gz FEDQSDIMHGHPAN-SNVBAGLBSA-N -1 1 286.339 1.775 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(N[C@@H]2CCOC3(CCC3)C2)c1 ZINC001607133368 1164112083 /nfs/dbraw/zinc/11/20/83/1164112083.db2.gz FEDQSDIMHGHPAN-SNVBAGLBSA-N -1 1 286.339 1.775 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(Sc2ccc3c(c2)CCO3)n1 ZINC001607133716 1164112796 /nfs/dbraw/zinc/11/27/96/1164112796.db2.gz MXUKZCBFIWHCGW-UHFFFAOYSA-N -1 1 298.331 1.743 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(NC2CCC3(CC3)CC2)n1 ZINC001607133586 1164112810 /nfs/dbraw/zinc/11/28/10/1164112810.db2.gz KKYWRMVIELYZSE-UHFFFAOYSA-N -1 1 271.328 1.791 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(NC2CCC3(CC3)CC2)n1 ZINC001607133586 1164112813 /nfs/dbraw/zinc/11/28/13/1164112813.db2.gz KKYWRMVIELYZSE-UHFFFAOYSA-N -1 1 271.328 1.791 20 0 CDADMM c1cnc(N2CC[C@H](C3CCC3)C2)c(-c2nnn[n-]2)n1 ZINC001607134259 1164114282 /nfs/dbraw/zinc/11/42/82/1164114282.db2.gz FATOMAYALMFCMZ-JTQLQIEISA-N -1 1 271.328 1.283 20 0 CDADMM c1cc(Sc2cc(-c3nnn[n-]3)ncn2)cc2c1OCC2 ZINC001607137242 1164116742 /nfs/dbraw/zinc/11/67/42/1164116742.db2.gz NAWQVDTWUYRWBY-UHFFFAOYSA-N -1 1 298.331 1.743 20 0 CDADMM c1cc(Sc2cc(-c3nn[n-]n3)ncn2)cc2c1OCC2 ZINC001607137242 1164116744 /nfs/dbraw/zinc/11/67/44/1164116744.db2.gz NAWQVDTWUYRWBY-UHFFFAOYSA-N -1 1 298.331 1.743 20 0 CDADMM COc1ccccc1NC(=O)CN[C@](C)(CCF)C(=O)[O-] ZINC001607346364 1164152356 /nfs/dbraw/zinc/15/23/56/1164152356.db2.gz BVQMUOGSIHBYBB-CQSZACIVSA-N -1 1 298.314 1.426 20 0 CDADMM C[C@H]1CN(Cc2ccc3[nH]ccc3c2)C[C@@H](C(=O)[O-])O1 ZINC001607476748 1164197103 /nfs/dbraw/zinc/19/71/03/1164197103.db2.gz GWCGNJGKZLXMNK-HZMBPMFUSA-N -1 1 274.320 1.842 20 0 CDADMM Cc1cc(C)cc([C@@H](NCc2cnc[nH]2)C(=O)[O-])c1 ZINC001607624895 1164243869 /nfs/dbraw/zinc/24/38/69/1164243869.db2.gz HBLQBNSRFYZTAQ-CYBMUJFWSA-N -1 1 259.309 1.942 20 0 CDADMM Cc1cc(=O)[n-]c(C[NH2+][C@@]2(C(=O)[O-])CC[C@H](C)CC2)n1 ZINC001607700039 1164275023 /nfs/dbraw/zinc/27/50/23/1164275023.db2.gz WGRJAYBSFCHQJW-KMHCFJFGSA-N -1 1 279.340 1.614 20 0 CDADMM Cc1[nH]nc(CNC(=O)c2ccc(C(=O)[O-])cc2F)c1C ZINC001607937021 1164345740 /nfs/dbraw/zinc/34/57/40/1164345740.db2.gz QMVNRUCHOLFJNX-UHFFFAOYSA-N -1 1 291.282 1.794 20 0 CDADMM Cc1nc(CCNc2nc(Cl)c(C(=O)[O-])s2)n[nH]1 ZINC001607954248 1164351153 /nfs/dbraw/zinc/35/11/53/1164351153.db2.gz CZHHOWWPGZSJQP-UHFFFAOYSA-N -1 1 287.732 1.576 20 0 CDADMM Cc1nn(C(C)C)cc1CN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001607999197 1164369729 /nfs/dbraw/zinc/36/97/29/1164369729.db2.gz IWFHODXIJNSSMT-CQSZACIVSA-N -1 1 295.383 1.430 20 0 CDADMM COc1ccc(NC(=O)c2nccc(OC)c2[O-])c(C)n1 ZINC001193519682 1164393739 /nfs/dbraw/zinc/39/37/39/1164393739.db2.gz BOMQYPIKCNBWTC-UHFFFAOYSA-N -1 1 289.291 1.760 20 0 CDADMM Cn1ccc(C2CCN(Cc3oncc3C(=O)[O-])CC2)n1 ZINC001608127352 1164418155 /nfs/dbraw/zinc/41/81/55/1164418155.db2.gz XUKBOWCNYUMAQU-UHFFFAOYSA-N -1 1 290.323 1.486 20 0 CDADMM Nc1c(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cccc1C(=O)[O-] ZINC001608270864 1164474735 /nfs/dbraw/zinc/47/47/35/1164474735.db2.gz QMRQFMYWLSNSBM-RKDXNWHRSA-N -1 1 286.291 1.432 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](O)CN1Cc1ccc2c(c1)CCCC2 ZINC001608605240 1164571121 /nfs/dbraw/zinc/57/11/21/1164571121.db2.gz AMQQLLAFYDAYAC-GJZGRUSLSA-N -1 1 275.348 1.585 20 0 CDADMM O=C([O-])[C@@H]1CCN(Cc2cnon2)[C@H]2CCCC[C@@H]12 ZINC001608635300 1164582755 /nfs/dbraw/zinc/58/27/55/1164582755.db2.gz PCOFSABRLOUPTQ-TUAOUCFPSA-N -1 1 265.313 1.535 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](C(F)(F)F)C[N@@H+](CCc2cn[nH]c2)C1 ZINC001608822945 1164652281 /nfs/dbraw/zinc/65/22/81/1164652281.db2.gz OLARXKUOBVUBDZ-VHSXEESVSA-N -1 1 291.273 1.537 20 0 CDADMM O=C([O-])c1ccc(NC(=O)N2CCNCC2)c2ccccc12 ZINC001608902134 1164680410 /nfs/dbraw/zinc/68/04/10/1164680410.db2.gz QEWVMMNGKINICX-UHFFFAOYSA-N -1 1 299.330 1.975 20 0 CDADMM O=C([O-])c1cccc(CN2CC[C@@H](n3cccn3)C2)n1 ZINC001608930994 1164687085 /nfs/dbraw/zinc/68/70/85/1164687085.db2.gz PURPYOJOESGNEV-GFCCVEGCSA-N -1 1 272.308 1.423 20 0 CDADMM CC(=O)[C@H](C)OC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001609061736 1164753668 /nfs/dbraw/zinc/75/36/68/1164753668.db2.gz UIJRUMAMPFHRGJ-LURJTMIESA-N -1 1 266.282 1.063 20 0 CDADMM CC(=O)[C@H](C)OC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609061736 1164753676 /nfs/dbraw/zinc/75/36/76/1164753676.db2.gz UIJRUMAMPFHRGJ-LURJTMIESA-N -1 1 266.282 1.063 20 0 CDADMM CC(C)N(Cc1nc(-c2nnn[n-]2)cs1)CC(F)F ZINC001609099117 1164771985 /nfs/dbraw/zinc/77/19/85/1164771985.db2.gz HISQVNAUZCQHIM-UHFFFAOYSA-N -1 1 288.327 1.799 20 0 CDADMM CC(C)N(Cc1nc(-c2nn[n-]n2)cs1)CC(F)F ZINC001609099117 1164771990 /nfs/dbraw/zinc/77/19/90/1164771990.db2.gz HISQVNAUZCQHIM-UHFFFAOYSA-N -1 1 288.327 1.799 20 0 CDADMM O=C(NCC[C@@H](O)c1ccccc1)c1cncc([O-])c1 ZINC000121050450 1164780160 /nfs/dbraw/zinc/78/01/60/1164780160.db2.gz WVPZPJXSWYBUQM-CQSZACIVSA-N -1 1 272.304 1.641 20 0 CDADMM C[C@@H]1CCC[C@H](Nc2ncncc2-c2nn[n-]n2)[C@H]1C ZINC001609163636 1164811260 /nfs/dbraw/zinc/81/12/60/1164811260.db2.gz CJKCDRMPDZDRSR-YWVKMMECSA-N -1 1 273.344 1.893 20 0 CDADMM CCCCC(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001609207619 1164844992 /nfs/dbraw/zinc/84/49/92/1164844992.db2.gz NLRNEGODABVHIW-UHFFFAOYSA-N -1 1 295.293 1.951 20 0 CDADMM CCCCC(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001609207619 1164844998 /nfs/dbraw/zinc/84/49/98/1164844998.db2.gz NLRNEGODABVHIW-UHFFFAOYSA-N -1 1 295.293 1.951 20 0 CDADMM CCN(CC1CC1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609223827 1164853373 /nfs/dbraw/zinc/85/33/73/1164853373.db2.gz ORNDLBAJCJEJMR-UHFFFAOYSA-N -1 1 287.327 1.526 20 0 CDADMM CCN(CC1CC1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609223827 1164853376 /nfs/dbraw/zinc/85/33/76/1164853376.db2.gz ORNDLBAJCJEJMR-UHFFFAOYSA-N -1 1 287.327 1.526 20 0 CDADMM CCN(Cc1ccccc1)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609225639 1164855725 /nfs/dbraw/zinc/85/57/25/1164855725.db2.gz SNIYYXGJNYWDEH-UHFFFAOYSA-N -1 1 295.350 1.992 20 0 CDADMM CCN(Cc1ccccc1)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609225639 1164855730 /nfs/dbraw/zinc/85/57/30/1164855730.db2.gz SNIYYXGJNYWDEH-UHFFFAOYSA-N -1 1 295.350 1.992 20 0 CDADMM O=C(CCCCO)Nc1nc(Br)ccc1[O-] ZINC000867713634 1164857226 /nfs/dbraw/zinc/85/72/26/1164857226.db2.gz URNKNVYWOMMWDX-UHFFFAOYSA-N -1 1 289.129 1.651 20 0 CDADMM C[Si](C)(C)COC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001609377102 1164916909 /nfs/dbraw/zinc/91/69/09/1164916909.db2.gz WFMFADBVFWKZGL-UHFFFAOYSA-N -1 1 282.401 1.962 20 0 CDADMM C[Si](C)(C)COC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609377102 1164916915 /nfs/dbraw/zinc/91/69/15/1164916915.db2.gz WFMFADBVFWKZGL-UHFFFAOYSA-N -1 1 282.401 1.962 20 0 CDADMM Cc1cc(N[C@@H](C)C[C@H](C)O)cc(-c2nnn[n-]2)n1 ZINC001609408768 1164933983 /nfs/dbraw/zinc/93/39/83/1164933983.db2.gz KPMJQIJXHCVGLD-CBAPKCEASA-N -1 1 262.317 1.141 20 0 CDADMM Cc1ccc(N[C@@H]2C[C@H]3C[C@H]3C2)nc1-c1nnn[n-]1 ZINC001609426303 1164943396 /nfs/dbraw/zinc/94/33/96/1164943396.db2.gz MVUMZTNLQCQKPH-ILWJIGKKSA-N -1 1 256.313 1.781 20 0 CDADMM Cc1coc(Sc2ncncc2-c2nnn[n-]2)n1 ZINC001609441636 1164949204 /nfs/dbraw/zinc/94/92/04/1164949204.db2.gz DDVCKKGQSATMDE-UHFFFAOYSA-N -1 1 261.270 1.104 20 0 CDADMM Cc1coc(Sc2ncncc2-c2nn[n-]n2)n1 ZINC001609441636 1164949212 /nfs/dbraw/zinc/94/92/12/1164949212.db2.gz DDVCKKGQSATMDE-UHFFFAOYSA-N -1 1 261.270 1.104 20 0 CDADMM Cc1cnc(COC(=O)c2ccc(-c3nn[n-]n3)o2)s1 ZINC001609440829 1164949233 /nfs/dbraw/zinc/94/92/33/1164949233.db2.gz CTGFMQCARWICTD-UHFFFAOYSA-N -1 1 291.292 1.582 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc(-c2ccncn2)no1 ZINC001609466376 1164961508 /nfs/dbraw/zinc/96/15/08/1164961508.db2.gz RCQCNZCAQBJZCP-UHFFFAOYSA-N -1 1 296.250 1.275 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc(-c2ccncn2)no1 ZINC001609466376 1164961513 /nfs/dbraw/zinc/96/15/13/1164961513.db2.gz RCQCNZCAQBJZCP-UHFFFAOYSA-N -1 1 296.250 1.275 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC1CC(F)(F)C1 ZINC001609467833 1164964605 /nfs/dbraw/zinc/96/46/05/1164964605.db2.gz VBCSLOIWVJOWAY-UHFFFAOYSA-N -1 1 283.238 1.296 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC1CC(F)(F)C1 ZINC001609467833 1164964611 /nfs/dbraw/zinc/96/46/11/1164964611.db2.gz VBCSLOIWVJOWAY-UHFFFAOYSA-N -1 1 283.238 1.296 20 0 CDADMM Cn1nc(Nc2ncncc2-c2nn[n-]n2)cc1C1CC1 ZINC001609482140 1164967615 /nfs/dbraw/zinc/96/76/15/1164967615.db2.gz KJFIWJSRXKYVIG-UHFFFAOYSA-N -1 1 283.299 1.011 20 0 CDADMM Clc1nsc(N2CCCCCO2)c1-c1nnn[n-]1 ZINC001609474903 1164968238 /nfs/dbraw/zinc/96/82/38/1164968238.db2.gz ZALUYWNDSYHXPW-UHFFFAOYSA-N -1 1 286.748 1.899 20 0 CDADMM Clc1nsc(N2CCCCCO2)c1-c1nn[n-]n1 ZINC001609474903 1164968250 /nfs/dbraw/zinc/96/82/50/1164968250.db2.gz ZALUYWNDSYHXPW-UHFFFAOYSA-N -1 1 286.748 1.899 20 0 CDADMM Cn1nc(NC(=O)c2ccc(-c3nn[n-]n3)o2)cc1C1CC1 ZINC001609481851 1164968556 /nfs/dbraw/zinc/96/85/56/1164968556.db2.gz SRKKZQWFNGNOET-UHFFFAOYSA-N -1 1 299.294 1.323 20 0 CDADMM C/C(=C/CN[C@@H](c1nncn1C)C(C)C)C(=O)[O-] ZINC001609503224 1164978473 /nfs/dbraw/zinc/97/84/73/1164978473.db2.gz IBIVXYVERSKIGX-HYHWUIIZSA-N -1 1 252.318 1.133 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(OCC[C@@H]2CCCO2)c1 ZINC001609619224 1165014744 /nfs/dbraw/zinc/01/47/44/1165014744.db2.gz KUXXIFKQRKMFPV-VIFPVBQESA-N -1 1 261.285 1.210 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(OCC[C@@H]2CCCO2)c1 ZINC001609619224 1165014746 /nfs/dbraw/zinc/01/47/46/1165014746.db2.gz KUXXIFKQRKMFPV-VIFPVBQESA-N -1 1 261.285 1.210 20 0 CDADMM CC(=O)NC[C@H]1CCCN(Cc2cccc(C(=O)[O-])n2)C1 ZINC001609621467 1165017277 /nfs/dbraw/zinc/01/72/77/1165017277.db2.gz JHECCIKQLLBYPK-GFCCVEGCSA-N -1 1 291.351 1.128 20 0 CDADMM O=C([N-][C@H]1CCOC1=O)C(F)(F)c1ccc(F)cc1 ZINC000869090004 1165023508 /nfs/dbraw/zinc/02/35/08/1165023508.db2.gz DUOASGSONCRKRK-VIFPVBQESA-N -1 1 273.210 1.349 20 0 CDADMM Cc1ccnc(CN2CCC([C@H](O)C(=O)[O-])CC2)c1 ZINC001610536633 1165345276 /nfs/dbraw/zinc/34/52/76/1165345276.db2.gz UPRZCBDLKZFGSI-ZDUSSCGKSA-N -1 1 264.325 1.048 20 0 CDADMM Cc1cscc1NC(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001610548520 1165350760 /nfs/dbraw/zinc/35/07/60/1165350760.db2.gz RFYRTWPDMGYCDE-SNVBAGLBSA-N -1 1 297.380 1.537 20 0 CDADMM Cc1[n-]n(-c2cc(Cl)nc(N)n2)c(=O)c1C1CC1 ZINC000871955527 1165365307 /nfs/dbraw/zinc/36/53/07/1165365307.db2.gz CRNIXLQBNLTFTJ-VIFPVBQESA-N -1 1 265.704 1.461 20 0 CDADMM O=C([O-])c1ccc(CNCc2cn3cccnc3n2)cc1 ZINC001610828505 1165457995 /nfs/dbraw/zinc/45/79/95/1165457995.db2.gz XQMBLJOEBQHJEB-UHFFFAOYSA-N -1 1 282.303 1.717 20 0 CDADMM O=C([O-])c1ccccc1CN1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001610852842 1165462605 /nfs/dbraw/zinc/46/26/05/1165462605.db2.gz PICUZLCTLPFXCI-FHGNATFXSA-N -1 1 265.334 1.090 20 0 CDADMM O=C([O-])c1cccc(CN2CCc3n[nH]c(=O)cc3C2)c1 ZINC001610846247 1165460727 /nfs/dbraw/zinc/46/07/27/1165460727.db2.gz YAQLNUHUEFILQB-UHFFFAOYSA-N -1 1 285.303 1.439 20 0 CDADMM CC(C)(C)OC(=O)CCCC(=O)Nc1c[n-][nH]c1=O ZINC001611379961 1165491068 /nfs/dbraw/zinc/49/10/68/1165491068.db2.gz NIQSBSABSGTILC-UHFFFAOYSA-N -1 1 269.301 1.566 20 0 CDADMM O=C(NCc1nn[n-]n1)c1c[nH]cc1Cc1ccccc1 ZINC001614990955 1165549910 /nfs/dbraw/zinc/54/99/10/1165549910.db2.gz BIRJTCPXKMPOPH-UHFFFAOYSA-N -1 1 282.307 1.049 20 0 CDADMM Cc1cc(=NC(=O)c2cc(-n3ccnc3)ccc2[O-])cc[nH]1 ZINC001617440737 1165598555 /nfs/dbraw/zinc/59/85/55/1165598555.db2.gz XRKLILNVNKJBDF-UHFFFAOYSA-N -1 1 294.314 1.956 20 0 CDADMM CCC(CC)(NC(=O)C[C@H](C)COC)c1nn[n-]n1 ZINC001623440461 1165771289 /nfs/dbraw/zinc/77/12/89/1165771289.db2.gz AWITXTTYDVDJQF-VIFPVBQESA-N -1 1 269.349 1.004 20 0 CDADMM O=C(NCCc1ccccc1F)c1ccc([O-])cn1 ZINC001624022915 1165813037 /nfs/dbraw/zinc/81/30/37/1165813037.db2.gz IHIOWKVHRXAXQI-UHFFFAOYSA-N -1 1 260.268 1.899 20 0 CDADMM CCc1cc(CNC(=O)c2ccc([O-])cc2F)[nH]n1 ZINC001627676612 1166010774 /nfs/dbraw/zinc/01/07/74/1166010774.db2.gz KKHBZCLDJCMDFB-UHFFFAOYSA-N -1 1 263.272 1.747 20 0 CDADMM CCc1cc(CNC(=O)c2ccc([O-])cc2F)n[nH]1 ZINC001627676612 1166010779 /nfs/dbraw/zinc/01/07/79/1166010779.db2.gz KKHBZCLDJCMDFB-UHFFFAOYSA-N -1 1 263.272 1.747 20 0 CDADMM Cc1nnnn1-c1cccc(NC(=O)c2ccc([O-])cn2)c1 ZINC001629908825 1166170616 /nfs/dbraw/zinc/17/06/16/1166170616.db2.gz MLECVYXYHAZCMH-UHFFFAOYSA-N -1 1 296.290 1.324 20 0 CDADMM Cc1noc([C@@H](C)NC(=O)c2ccc([O-])cc2F)n1 ZINC001631475951 1166278648 /nfs/dbraw/zinc/27/86/48/1166278648.db2.gz JIDWJVCWFTWYKM-ZCFIWIBFSA-N -1 1 265.244 1.714 20 0 CDADMM CC(C)(C)OCCCC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000802843260 1166958384 /nfs/dbraw/zinc/95/83/84/1166958384.db2.gz UGRGBUQIAHQNQD-NSHDSACASA-N -1 1 295.387 1.501 20 0 CDADMM O=C(NC[C@H]1CCOC1)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155269880 1167111244 /nfs/dbraw/zinc/11/12/44/1167111244.db2.gz SRBWGUXRWBVMLW-MRVPVSSYSA-N -1 1 261.281 1.035 20 0 CDADMM CCC[C@H]1C[C@@H](C(=O)Nc2c[n-][nH]c2=O)CCO1 ZINC001641600853 1167122819 /nfs/dbraw/zinc/12/28/19/1167122819.db2.gz ICOIARCWFNVUAG-IUCAKERBSA-N -1 1 253.302 1.649 20 0 CDADMM C[C@@H](C(=O)OCc1nc(=O)n(C)[n-]1)c1ccc(F)cc1F ZINC001645682274 1167463871 /nfs/dbraw/zinc/46/38/71/1167463871.db2.gz BHKHBVGCRKEQGS-SSDOTTSWSA-N -1 1 297.261 1.234 20 0 CDADMM CCCN(C)c1ccc(C(=O)N(C)c2nn[n-]n2)cc1 ZINC001646203482 1167694179 /nfs/dbraw/zinc/69/41/79/1167694179.db2.gz KDVDPYIFQFOZPD-UHFFFAOYSA-N -1 1 274.328 1.323 20 0 CDADMM CSc1nc(CNC(=O)[C@]2(C)CC(C)=NO2)cc(=O)[n-]1 ZINC001646605177 1167970616 /nfs/dbraw/zinc/97/06/16/1167970616.db2.gz SLYGAWUUJQDRBZ-LBPRGKRZSA-N -1 1 296.352 1.075 20 0 CDADMM C[C@@](O)(C(=O)OCC(=O)c1ccc([O-])cc1O)C1CCC1 ZINC001647198248 1168443180 /nfs/dbraw/zinc/44/31/80/1168443180.db2.gz IHCIGSDAXUFJON-HNNXBMFYSA-N -1 1 294.303 1.375 20 0 CDADMM COC1CCN(C(=O)c2c(C)[n-]c(=O)nc2SC)CC1 ZINC001647552047 1168814027 /nfs/dbraw/zinc/81/40/27/1168814027.db2.gz IKPZPLQMPXBFDY-UHFFFAOYSA-N -1 1 297.380 1.464 20 0 CDADMM CC(C)(C)[C@@H]1C[C@H](NCc2nc(C(=O)[O-])n[nH]2)CS1 ZINC001573456126 1170662524 /nfs/dbraw/zinc/66/25/24/1170662524.db2.gz POJYHCPJFCDOTP-YUMQZZPRSA-N -1 1 284.385 1.513 20 0 CDADMM C[C@H](Cc1cnc[nH]1)C(=O)N1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC001573549232 1170688918 /nfs/dbraw/zinc/68/89/18/1170688918.db2.gz BPDWEFSLSOELQG-AXNUBFLRSA-N -1 1 291.351 1.443 20 0 CDADMM CNc1ccc(C)cc1CN1CCO[C@@](C)(C(=O)[O-])C1 ZINC001573909953 1170825191 /nfs/dbraw/zinc/82/51/91/1170825191.db2.gz DXFBAMKNBCYWHN-OAHLLOKOSA-N -1 1 278.352 1.712 20 0 CDADMM O=C([O-])C1(CC(F)F)CCN(Cc2ccno2)CC1 ZINC001574353668 1170952092 /nfs/dbraw/zinc/95/20/92/1170952092.db2.gz PREVBCHKHCNTDT-UHFFFAOYSA-N -1 1 274.267 1.997 20 0 CDADMM CC(C)n1c(CNC(=O)[C@@H](C)n2ccnc2)n[n-]c1=S ZINC000066639980 1171399110 /nfs/dbraw/zinc/39/91/10/1171399110.db2.gz ZCHVPJMXKMTXME-SECBINFHSA-N -1 1 294.384 1.595 20 0 CDADMM O=C(Nc1cc(-c2cccnc2)[nH]n1)c1ccc([O-])cn1 ZINC001653845909 1171568754 /nfs/dbraw/zinc/56/87/54/1171568754.db2.gz GRIQRHREEWGGFU-UHFFFAOYSA-N -1 1 281.275 1.825 20 0 CDADMM O=C(Nc1ccncc1[O-])c1ncnc2ccsc21 ZINC001654301459 1171604701 /nfs/dbraw/zinc/60/47/01/1171604701.db2.gz QDLMBRCJVHVEDB-UHFFFAOYSA-N -1 1 272.289 1.466 20 0 CDADMM CSc1ncc(C(=O)Nc2ccc(F)c(N)c2)c(=O)[n-]1 ZINC001579395065 1172166180 /nfs/dbraw/zinc/16/61/80/1172166180.db2.gz MILALQDONHXGEC-UHFFFAOYSA-N -1 1 294.311 1.878 20 0 CDADMM Cc1ccc(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)cc1F ZINC001581202134 1172592696 /nfs/dbraw/zinc/59/26/96/1172592696.db2.gz KGMBQIASFVYVOA-UHFFFAOYSA-N -1 1 299.309 1.833 20 0 CDADMM Cn1cnc(CNc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001663010731 1172627073 /nfs/dbraw/zinc/62/70/73/1172627073.db2.gz HDSXQKBEDFZZSP-UHFFFAOYSA-N -1 1 269.308 1.924 20 0 CDADMM O=C(C=Cc1ccsc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001581956161 1172635321 /nfs/dbraw/zinc/63/53/21/1172635321.db2.gz PDSTVYITCGOTPI-SNAWJCMRSA-N -1 1 298.331 1.975 20 0 CDADMM O=C(C=Cc1ccsc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001581956161 1172635328 /nfs/dbraw/zinc/63/53/28/1172635328.db2.gz PDSTVYITCGOTPI-SNAWJCMRSA-N -1 1 298.331 1.975 20 0 CDADMM c1cc2c(c(CNc3nccnc3-c3nnn[n-]3)c1)OCC2 ZINC001582817695 1172696990 /nfs/dbraw/zinc/69/69/90/1172696990.db2.gz TYEKFYJVOQWFKZ-UHFFFAOYSA-N -1 1 295.306 1.204 20 0 CDADMM c1cc2c(c(CNc3nccnc3-c3nn[n-]n3)c1)OCC2 ZINC001582817695 1172696994 /nfs/dbraw/zinc/69/69/94/1172696994.db2.gz TYEKFYJVOQWFKZ-UHFFFAOYSA-N -1 1 295.306 1.204 20 0 CDADMM Cc1nc2c(cccc2C(=O)N2CC[C@@H](c3nn[n-]n3)C2)o1 ZINC001588217967 1173017949 /nfs/dbraw/zinc/01/79/49/1173017949.db2.gz LMOGMZOSRCQOFQ-SECBINFHSA-N -1 1 298.306 1.279 20 0 CDADMM CC(C)(CNc1ncncc1-c1nn[n-]n1)OCC1CC1 ZINC001589292842 1173135551 /nfs/dbraw/zinc/13/55/51/1173135551.db2.gz WCNZBUDKNVPSPZ-UHFFFAOYSA-N -1 1 289.343 1.274 20 0 CDADMM CC(C)[C@H]1C[C@@H]1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589501610 1173151058 /nfs/dbraw/zinc/15/10/58/1173151058.db2.gz HLVWIRNXEQUVTQ-BDAKNGLRSA-N -1 1 272.312 1.492 20 0 CDADMM CC(C)[C@H]1C[C@@H]1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589501610 1173151061 /nfs/dbraw/zinc/15/10/61/1173151061.db2.gz HLVWIRNXEQUVTQ-BDAKNGLRSA-N -1 1 272.312 1.492 20 0 CDADMM CC(C)[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C(C)C ZINC001589519410 1173152963 /nfs/dbraw/zinc/15/29/63/1173152963.db2.gz XWGPGVBYDQGRAI-GXFFZTMASA-N -1 1 287.371 1.774 20 0 CDADMM CC(C)[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C(C)C ZINC001589519410 1173152964 /nfs/dbraw/zinc/15/29/64/1173152964.db2.gz XWGPGVBYDQGRAI-GXFFZTMASA-N -1 1 287.371 1.774 20 0 CDADMM CC(C)[C@@H]1N(c2ccc(-c3nnn[n-]3)nn2)CC12CC=CC2 ZINC001589520082 1173153763 /nfs/dbraw/zinc/15/37/63/1173153763.db2.gz OGEWMEOOYDQPEQ-ZDUSSCGKSA-N -1 1 297.366 1.838 20 0 CDADMM CC(C)[C@@H]1N(c2ccc(-c3nn[n-]n3)nn2)CC12CC=CC2 ZINC001589520082 1173153767 /nfs/dbraw/zinc/15/37/67/1173153767.db2.gz OGEWMEOOYDQPEQ-ZDUSSCGKSA-N -1 1 297.366 1.838 20 0 CDADMM CC(C)CC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001589571790 1173161281 /nfs/dbraw/zinc/16/12/81/1173161281.db2.gz HKMPMWOTCLOWLY-UHFFFAOYSA-N -1 1 287.371 1.919 20 0 CDADMM CC(C)c1nn(C)cc1NCc1cccc(-c2nnn[n-]2)n1 ZINC001589777896 1173179779 /nfs/dbraw/zinc/17/97/79/1173179779.db2.gz RQSMKRIUVFLMFF-UHFFFAOYSA-N -1 1 298.354 1.731 20 0 CDADMM CC(C)c1nn(C)cc1NCc1cccc(-c2nn[n-]n2)n1 ZINC001589777896 1173179781 /nfs/dbraw/zinc/17/97/81/1173179781.db2.gz RQSMKRIUVFLMFF-UHFFFAOYSA-N -1 1 298.354 1.731 20 0 CDADMM C[C@H](CCc1ccco1)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001589836809 1173189983 /nfs/dbraw/zinc/18/99/83/1173189983.db2.gz RUPWJJQYSMPNRP-SECBINFHSA-N -1 1 285.311 1.683 20 0 CDADMM C[C@H](CCc1ccco1)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001589836809 1173189986 /nfs/dbraw/zinc/18/99/86/1173189986.db2.gz RUPWJJQYSMPNRP-SECBINFHSA-N -1 1 285.311 1.683 20 0 CDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)c1ccccn1 ZINC001589877105 1173191626 /nfs/dbraw/zinc/19/16/26/1173191626.db2.gz KUKPFMBTUSQXRG-VIFPVBQESA-N -1 1 282.311 1.267 20 0 CDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)c1ccccn1 ZINC001589877105 1173191632 /nfs/dbraw/zinc/19/16/32/1173191632.db2.gz KUKPFMBTUSQXRG-VIFPVBQESA-N -1 1 282.311 1.267 20 0 CDADMM C[C@H](CO)SCc1ccc(-c2nn[n-]n2)s1 ZINC001589885352 1173195366 /nfs/dbraw/zinc/19/53/66/1173195366.db2.gz UZEQKZDJRQTQLB-ZCFIWIBFSA-N -1 1 256.356 1.542 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)[C@H]1CCCOC1 ZINC001589944886 1173205744 /nfs/dbraw/zinc/20/57/44/1173205744.db2.gz YMBZFYNWBOBCEI-BDAKNGLRSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)[C@H]1CCCOC1 ZINC001589944886 1173205749 /nfs/dbraw/zinc/20/57/49/1173205749.db2.gz YMBZFYNWBOBCEI-BDAKNGLRSA-N -1 1 291.311 1.005 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(F)F ZINC001589944912 1173206142 /nfs/dbraw/zinc/20/61/42/1173206142.db2.gz YXPHDRAVMUDOPF-BYPYZUCNSA-N -1 1 273.268 1.312 20 0 CDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(F)F ZINC001589944912 1173206147 /nfs/dbraw/zinc/20/61/47/1173206147.db2.gz YXPHDRAVMUDOPF-BYPYZUCNSA-N -1 1 273.268 1.312 20 0 CDADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001589986975 1173225987 /nfs/dbraw/zinc/22/59/87/1173225987.db2.gz ZWNALYVLFPOSIP-VIFPVBQESA-N -1 1 267.296 1.252 20 0 CDADMM C[C@]1(C(=O)NCc2ccc(-c3nn[n-]n3)s2)C=CCC1 ZINC001590068376 1173242624 /nfs/dbraw/zinc/24/26/24/1173242624.db2.gz IYLBUBQCIVVNHZ-ZDUSSCGKSA-N -1 1 289.364 1.901 20 0 CDADMM CC1(C)C[C@H]1C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001590087256 1173251785 /nfs/dbraw/zinc/25/17/85/1173251785.db2.gz WRAITUXBUXGIGK-VIFPVBQESA-N -1 1 298.350 1.587 20 0 CDADMM CC1(C)C[C@H]1C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001590087256 1173251790 /nfs/dbraw/zinc/25/17/90/1173251790.db2.gz WRAITUXBUXGIGK-VIFPVBQESA-N -1 1 298.350 1.587 20 0 CDADMM CC1(C)CC[C@@H](Oc2ccc(F)nc2-c2nn[n-]n2)C1=O ZINC001590091129 1173253101 /nfs/dbraw/zinc/25/31/01/1173253101.db2.gz XGDFLZJNXDPRIW-MRVPVSSYSA-N -1 1 291.286 1.537 20 0 CDADMM CC1(C)CC[C@@H]1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590092679 1173253335 /nfs/dbraw/zinc/25/33/35/1173253335.db2.gz KKUURTBDHFEVTK-JTQLQIEISA-N -1 1 272.312 1.180 20 0 CDADMM CC1(C)CC[C@@H]1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590092679 1173253340 /nfs/dbraw/zinc/25/33/40/1173253340.db2.gz KKUURTBDHFEVTK-JTQLQIEISA-N -1 1 272.312 1.180 20 0 CDADMM CC1(C)CC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590092740 1173255043 /nfs/dbraw/zinc/25/50/43/1173255043.db2.gz LVSAZGBUAGSOBP-SNVBAGLBSA-N -1 1 272.312 1.180 20 0 CDADMM CC1(C)CC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590092740 1173255047 /nfs/dbraw/zinc/25/50/47/1173255047.db2.gz LVSAZGBUAGSOBP-SNVBAGLBSA-N -1 1 272.312 1.180 20 0 CDADMM CC1(CCNC(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001590126981 1173264659 /nfs/dbraw/zinc/26/46/59/1173264659.db2.gz JCYCQUSUQGXOFR-UHFFFAOYSA-N -1 1 261.285 1.380 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC(C)=C[C@H](C)C2)n1 ZINC001590156191 1173276146 /nfs/dbraw/zinc/27/61/46/1173276146.db2.gz DVBZGIVKXVLWFJ-QMMMGPOBSA-N -1 1 271.328 1.368 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC(C)=C[C@H](C)C2)n1 ZINC001590156191 1173276150 /nfs/dbraw/zinc/27/61/50/1173276150.db2.gz DVBZGIVKXVLWFJ-QMMMGPOBSA-N -1 1 271.328 1.368 20 0 CDADMM C[C@@H]1[C@H](C(F)(F)F)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001590168076 1173280698 /nfs/dbraw/zinc/28/06/98/1173280698.db2.gz QHCBKUWQGMBTQZ-RNFRBKRXSA-N -1 1 299.260 1.434 20 0 CDADMM C[C@@H]1[C@H](C(F)(F)F)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001590168076 1173280705 /nfs/dbraw/zinc/28/07/05/1173280705.db2.gz QHCBKUWQGMBTQZ-RNFRBKRXSA-N -1 1 299.260 1.434 20 0 CDADMM C[C@H]1C[C@H]1C(=O)COC(=O)c1sccc1-c1nn[n-]n1 ZINC001590215830 1173294327 /nfs/dbraw/zinc/29/43/27/1173294327.db2.gz XSPWORNUUJZNDN-POYBYMJQSA-N -1 1 292.320 1.310 20 0 CDADMM C[C@@H]1CCc2[n-]n(-c3cccc(-c4nn[nH]n4)c3)c(=O)c21 ZINC001590239607 1173311100 /nfs/dbraw/zinc/31/11/00/1173311100.db2.gz NKBBQKAGPKMLKP-PELKAZGASA-N -1 1 282.307 1.615 20 0 CDADMM C[C@@H]1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)C[C@@H]1F ZINC001590270306 1173332710 /nfs/dbraw/zinc/33/27/10/1173332710.db2.gz TWUZCYIHPBGLHJ-APPZFPTMSA-N -1 1 279.275 1.280 20 0 CDADMM C[C@@H]1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)C[C@@H]1F ZINC001590270306 1173332717 /nfs/dbraw/zinc/33/27/17/1173332717.db2.gz TWUZCYIHPBGLHJ-APPZFPTMSA-N -1 1 279.275 1.280 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001590270569 1173332761 /nfs/dbraw/zinc/33/27/61/1173332761.db2.gz ZTZWLIFOWLQNHH-ZETCQYMHSA-N -1 1 263.326 1.410 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001590270569 1173332768 /nfs/dbraw/zinc/33/27/68/1173332768.db2.gz ZTZWLIFOWLQNHH-ZETCQYMHSA-N -1 1 263.326 1.410 20 0 CDADMM C[C@@H]1c2sccc2CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001590343440 1173368144 /nfs/dbraw/zinc/36/81/44/1173368144.db2.gz ODUCWYUQECNPEA-MRVPVSSYSA-N -1 1 299.363 1.842 20 0 CDADMM C[C@@H]1c2sccc2CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001590343440 1173368150 /nfs/dbraw/zinc/36/81/50/1173368150.db2.gz ODUCWYUQECNPEA-MRVPVSSYSA-N -1 1 299.363 1.842 20 0 CDADMM CCC1(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)CCC1 ZINC001590496275 1173434193 /nfs/dbraw/zinc/43/41/93/1173434193.db2.gz PXMZJTZNSIYWJR-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM CCC1(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)CCC1 ZINC001590496275 1173434198 /nfs/dbraw/zinc/43/41/98/1173434198.db2.gz PXMZJTZNSIYWJR-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM CC[C@]1(CO)CCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590496100 1173434344 /nfs/dbraw/zinc/43/43/44/1173434344.db2.gz NIPQOKDTPBJXOD-AWEZNQCLSA-N -1 1 288.355 1.251 20 0 CDADMM CC[C@]1(CO)CCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590496100 1173434349 /nfs/dbraw/zinc/43/43/49/1173434349.db2.gz NIPQOKDTPBJXOD-AWEZNQCLSA-N -1 1 288.355 1.251 20 0 CDADMM CC[C@@H]1C[C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)CCO1 ZINC001590504340 1173438961 /nfs/dbraw/zinc/43/89/61/1173438961.db2.gz GHZFUNHDVRQWKW-NXEZZACHSA-N -1 1 291.311 1.147 20 0 CDADMM CC[C@@H]1C[C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)CCO1 ZINC001590504340 1173438966 /nfs/dbraw/zinc/43/89/66/1173438966.db2.gz GHZFUNHDVRQWKW-NXEZZACHSA-N -1 1 291.311 1.147 20 0 CDADMM CC[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)nc(C)n2)CCO1 ZINC001590506993 1173441335 /nfs/dbraw/zinc/44/13/35/1173441335.db2.gz YGUNQSRKMBOGOK-NXEZZACHSA-N -1 1 289.343 1.335 20 0 CDADMM CC[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)nc(C)n2)CCO1 ZINC001590506993 1173441340 /nfs/dbraw/zinc/44/13/40/1173441340.db2.gz YGUNQSRKMBOGOK-NXEZZACHSA-N -1 1 289.343 1.335 20 0 CDADMM CC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001590514643 1173446258 /nfs/dbraw/zinc/44/62/58/1173446258.db2.gz KUKZBOASKHNSEY-QMMMGPOBSA-N -1 1 261.285 1.332 20 0 CDADMM CC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590514643 1173446263 /nfs/dbraw/zinc/44/62/63/1173446263.db2.gz KUKZBOASKHNSEY-QMMMGPOBSA-N -1 1 261.285 1.332 20 0 CDADMM CC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)[C@H](CC)CO1 ZINC001590519515 1173446553 /nfs/dbraw/zinc/44/65/53/1173446553.db2.gz AKNRXYUXERYMNC-NXEZZACHSA-N -1 1 289.343 1.051 20 0 CDADMM CC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)[C@H](CC)CO1 ZINC001590519515 1173446556 /nfs/dbraw/zinc/44/65/56/1173446556.db2.gz AKNRXYUXERYMNC-NXEZZACHSA-N -1 1 289.343 1.051 20 0 CDADMM CC[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@H](CC)O1 ZINC001590520820 1173449710 /nfs/dbraw/zinc/44/97/10/1173449710.db2.gz JIJYYMAQHYFQAY-PHIMTYICSA-N -1 1 288.355 1.656 20 0 CDADMM CC[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@H](CC)O1 ZINC001590520820 1173449714 /nfs/dbraw/zinc/44/97/14/1173449714.db2.gz JIJYYMAQHYFQAY-PHIMTYICSA-N -1 1 288.355 1.656 20 0 CDADMM CC/C=C(\C)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001590535548 1173455328 /nfs/dbraw/zinc/45/53/28/1173455328.db2.gz YJWUXDKTJYDOPP-QPJJXVBHSA-N -1 1 279.325 1.723 20 0 CDADMM CC/C=C(\C)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001590535548 1173455335 /nfs/dbraw/zinc/45/53/35/1173455335.db2.gz YJWUXDKTJYDOPP-QPJJXVBHSA-N -1 1 279.325 1.723 20 0 CDADMM CCC[C@@H](OC)c1noc(-c2ccc(-c3nn[n-]n3)o2)n1 ZINC001590560311 1173462515 /nfs/dbraw/zinc/46/25/15/1173462515.db2.gz AUUSFCASWAJFEI-SSDOTTSWSA-N -1 1 290.283 1.997 20 0 CDADMM CCCCCCn1c(=O)ccc(-c2nn[n-]n2)c1OC ZINC001590596141 1173472597 /nfs/dbraw/zinc/47/25/97/1173472597.db2.gz QWDQMNPMUSBXMK-UHFFFAOYSA-N -1 1 277.328 1.617 20 0 CDADMM CCN(CC1CCC1)c1cc(-c2nnn[n-]2)ncn1 ZINC001590691496 1173492443 /nfs/dbraw/zinc/49/24/43/1173492443.db2.gz PZGSPXBCJHAFCW-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CCN(CC1CCC1)c1cc(-c2nn[n-]n2)ncn1 ZINC001590691496 1173492446 /nfs/dbraw/zinc/49/24/46/1173492446.db2.gz PZGSPXBCJHAFCW-UHFFFAOYSA-N -1 1 259.317 1.283 20 0 CDADMM CCOC1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001590796909 1173512523 /nfs/dbraw/zinc/51/25/23/1173512523.db2.gz SKMHZXYUVUAKOG-UHFFFAOYSA-N -1 1 294.384 1.637 20 0 CDADMM CCOC1CC2(C[C@H]2Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590794879 1173512755 /nfs/dbraw/zinc/51/27/55/1173512755.db2.gz KMSVYLDEVQFQBP-MDGUTJNFSA-N -1 1 287.327 1.026 20 0 CDADMM CCOC1CC2(C[C@H]2Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590794879 1173512759 /nfs/dbraw/zinc/51/27/59/1173512759.db2.gz KMSVYLDEVQFQBP-MDGUTJNFSA-N -1 1 287.327 1.026 20 0 CDADMM CCON(CC)C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590817776 1173521217 /nfs/dbraw/zinc/52/12/17/1173521217.db2.gz IDFFCWOMOQFNFU-UHFFFAOYSA-N -1 1 265.273 1.182 20 0 CDADMM CCON(CC)C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590817776 1173521222 /nfs/dbraw/zinc/52/12/22/1173521222.db2.gz IDFFCWOMOQFNFU-UHFFFAOYSA-N -1 1 265.273 1.182 20 0 CDADMM CC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccn1 ZINC001590868613 1173532611 /nfs/dbraw/zinc/53/26/11/1173532611.db2.gz DSYOLOOQUFMTKD-VIFPVBQESA-N -1 1 282.311 1.037 20 0 CDADMM CCc1cccc(COc2cnc(-c3nn[n-]n3)nc2)c1 ZINC001590895045 1173535342 /nfs/dbraw/zinc/53/53/42/1173535342.db2.gz WPUSRRXZAGYRIB-UHFFFAOYSA-N -1 1 282.307 1.798 20 0 CDADMM CCc1ccc(Cn2cncc(-c3nn[n-]n3)c2=O)cc1 ZINC001590890173 1173535428 /nfs/dbraw/zinc/53/54/28/1173535428.db2.gz SFBWENTWZRFGPG-UHFFFAOYSA-N -1 1 282.307 1.034 20 0 CDADMM CCc1cccc(CNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001590894314 1173535851 /nfs/dbraw/zinc/53/58/51/1173535851.db2.gz DMKBHDJECSTNRW-UHFFFAOYSA-N -1 1 280.335 1.858 20 0 CDADMM CCc1cccc(CNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001590894314 1173535856 /nfs/dbraw/zinc/53/58/56/1173535856.db2.gz DMKBHDJECSTNRW-UHFFFAOYSA-N -1 1 280.335 1.858 20 0 CDADMM CCc1ccnc(CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC001590900227 1173536138 /nfs/dbraw/zinc/53/61/38/1173536138.db2.gz ZUDFNSIKYGTXCL-UHFFFAOYSA-N -1 1 281.323 1.831 20 0 CDADMM CCc1ccnc(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC001590900227 1173536151 /nfs/dbraw/zinc/53/61/51/1173536151.db2.gz ZUDFNSIKYGTXCL-UHFFFAOYSA-N -1 1 281.323 1.831 20 0 CDADMM CCc1nc(N[C@@H](C)[C@H](C)OC)cc(-c2nnn[n-]2)n1 ZINC001590922536 1173544503 /nfs/dbraw/zinc/54/45/03/1173544503.db2.gz FFGOMVKCTBMGQN-YUMQZZPRSA-N -1 1 277.332 1.054 20 0 CDADMM CCc1nc(N[C@@H](C)[C@H](C)OC)cc(-c2nn[n-]n2)n1 ZINC001590922536 1173544507 /nfs/dbraw/zinc/54/45/07/1173544507.db2.gz FFGOMVKCTBMGQN-YUMQZZPRSA-N -1 1 277.332 1.054 20 0 CDADMM CCc1nnc(SCc2ccnc(-c3nnn[n-]3)c2)o1 ZINC001590933112 1173546225 /nfs/dbraw/zinc/54/62/25/1173546225.db2.gz IBPZQCVDNRYKNB-UHFFFAOYSA-N -1 1 289.324 1.499 20 0 CDADMM CCc1nnc(SCc2ccnc(-c3nn[n-]n3)c2)o1 ZINC001590933112 1173546235 /nfs/dbraw/zinc/54/62/35/1173546235.db2.gz IBPZQCVDNRYKNB-UHFFFAOYSA-N -1 1 289.324 1.499 20 0 CDADMM CN(C(=O)[C@H]1CC=CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590977876 1173556188 /nfs/dbraw/zinc/55/61/88/1173556188.db2.gz YIAJARTUICJQID-JTQLQIEISA-N -1 1 284.323 1.581 20 0 CDADMM CN(C(=O)[C@H]1CC=CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590977876 1173556192 /nfs/dbraw/zinc/55/61/92/1173556192.db2.gz YIAJARTUICJQID-JTQLQIEISA-N -1 1 284.323 1.581 20 0 CDADMM CN(c1cnc(-c2nnn[n-]2)cn1)C1Cc2ccccc2C1 ZINC001591160013 1173586441 /nfs/dbraw/zinc/58/64/41/1173586441.db2.gz JDVCWVOYQZQQHW-UHFFFAOYSA-N -1 1 293.334 1.260 20 0 CDADMM CN(c1cnc(-c2nn[n-]n2)cn1)C1Cc2ccccc2C1 ZINC001591160013 1173586446 /nfs/dbraw/zinc/58/64/46/1173586446.db2.gz JDVCWVOYQZQQHW-UHFFFAOYSA-N -1 1 293.334 1.260 20 0 CDADMM CO[C@](C)(CNc1cc(C)nc(-c2nnn[n-]2)c1)C1CC1 ZINC001591319033 1173603550 /nfs/dbraw/zinc/60/35/50/1173603550.db2.gz ZIQDNKBIQFYOMU-CQSZACIVSA-N -1 1 288.355 1.797 20 0 CDADMM CO[C@](C)(CNc1cc(C)nc(-c2nn[n-]n2)c1)C1CC1 ZINC001591319033 1173603555 /nfs/dbraw/zinc/60/35/55/1173603555.db2.gz ZIQDNKBIQFYOMU-CQSZACIVSA-N -1 1 288.355 1.797 20 0 CDADMM CO[C@H](COC(=O)c1sccc1-c1nn[n-]n1)C(C)C ZINC001591334765 1173615779 /nfs/dbraw/zinc/61/57/79/1173615779.db2.gz LTULDCBGEAWGBN-SECBINFHSA-N -1 1 296.352 1.756 20 0 CDADMM COCC1(CNc2cccc(-c3nnn[n-]3)n2)CCCC1 ZINC001591389220 1173642210 /nfs/dbraw/zinc/64/22/10/1173642210.db2.gz MPMVCVRYDNZPOK-UHFFFAOYSA-N -1 1 288.355 1.880 20 0 CDADMM COCC1(CNc2cccc(-c3nn[n-]n3)n2)CCCC1 ZINC001591389220 1173642213 /nfs/dbraw/zinc/64/22/13/1173642213.db2.gz MPMVCVRYDNZPOK-UHFFFAOYSA-N -1 1 288.355 1.880 20 0 CDADMM C[C@H](Nc1cc(-c2nnn[n-]2)ncn1)c1cncc(F)c1 ZINC001591770681 1173699022 /nfs/dbraw/zinc/69/90/22/1173699022.db2.gz GHBVLXDEOYKKSZ-ZETCQYMHSA-N -1 1 286.274 1.364 20 0 CDADMM C[C@H](Nc1cc(-c2nn[n-]n2)ncn1)c1cncc(F)c1 ZINC001591770681 1173699027 /nfs/dbraw/zinc/69/90/27/1173699027.db2.gz GHBVLXDEOYKKSZ-ZETCQYMHSA-N -1 1 286.274 1.364 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C(C2CC2)C2CC2)n1 ZINC001591882818 1173735282 /nfs/dbraw/zinc/73/52/82/1173735282.db2.gz WYQZMOWELRVXOD-UHFFFAOYSA-N -1 1 285.355 1.590 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C(C2CC2)C2CC2)n1 ZINC001591882818 1173735288 /nfs/dbraw/zinc/73/52/88/1173735288.db2.gz WYQZMOWELRVXOD-UHFFFAOYSA-N -1 1 285.355 1.590 20 0 CDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)Cc2ccccc2C)n1 ZINC001591884794 1173740210 /nfs/dbraw/zinc/74/02/10/1173740210.db2.gz ZZTIHSLPOZKHRJ-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)Cc2ccccc2C)n1 ZINC001591884794 1173740214 /nfs/dbraw/zinc/74/02/14/1173740214.db2.gz ZZTIHSLPOZKHRJ-UHFFFAOYSA-N -1 1 295.350 1.910 20 0 CDADMM Cc1nn(C)cc1[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001591891273 1173740767 /nfs/dbraw/zinc/74/07/67/1173740767.db2.gz RUYPRFPVNMWNFG-MRVPVSSYSA-N -1 1 299.342 1.180 20 0 CDADMM Cc1nn(C)cc1[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001591891273 1173740775 /nfs/dbraw/zinc/74/07/75/1173740775.db2.gz RUYPRFPVNMWNFG-MRVPVSSYSA-N -1 1 299.342 1.180 20 0 CDADMM Cc1cc(F)c(-c2nn[n-]n2)c(SCCCO)c1 ZINC001591982642 1173767311 /nfs/dbraw/zinc/76/73/11/1173767311.db2.gz MHRXQSITQPZXLC-UHFFFAOYSA-N -1 1 268.317 1.789 20 0 CDADMM Cc1cc(NC2CC(CCO)C2)nc(-c2nnn[n-]2)c1 ZINC001592036335 1173780132 /nfs/dbraw/zinc/78/01/32/1173780132.db2.gz RBKQCMMCJJIQKX-UHFFFAOYSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cc(NC2CC(CCO)C2)nc(-c2nn[n-]n2)c1 ZINC001592036335 1173780135 /nfs/dbraw/zinc/78/01/35/1173780135.db2.gz RBKQCMMCJJIQKX-UHFFFAOYSA-N -1 1 274.328 1.143 20 0 CDADMM Cc1cc(NC[C@@]2(C)CCOC2)nc(-c2nnn[n-]2)c1 ZINC001592042553 1173783251 /nfs/dbraw/zinc/78/32/51/1173783251.db2.gz JEGZMUPSXKAVQU-CYBMUJFWSA-N -1 1 274.328 1.409 20 0 CDADMM Cc1cc(NC[C@@]2(C)CCOC2)nc(-c2nn[n-]n2)c1 ZINC001592042553 1173783256 /nfs/dbraw/zinc/78/32/56/1173783256.db2.gz JEGZMUPSXKAVQU-CYBMUJFWSA-N -1 1 274.328 1.409 20 0 CDADMM Cc1cc(NCCOC2CCCC2)cc(-c2nnn[n-]2)n1 ZINC001592050060 1173786680 /nfs/dbraw/zinc/78/66/80/1173786680.db2.gz JIUQBJTVCUQHJL-UHFFFAOYSA-N -1 1 288.355 1.941 20 0 CDADMM Cc1cc(NCCOC2CCCC2)cc(-c2nn[n-]n2)n1 ZINC001592050060 1173786686 /nfs/dbraw/zinc/78/66/86/1173786686.db2.gz JIUQBJTVCUQHJL-UHFFFAOYSA-N -1 1 288.355 1.941 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H]1CCSC1 ZINC001592114686 1173804671 /nfs/dbraw/zinc/80/46/71/1173804671.db2.gz SYLLRNHOUIJZJT-VIFPVBQESA-N -1 1 276.369 1.735 20 0 CDADMM Cc1ccc(N2CCC[C@@H]3C[C@@H]32)nc1-c1nnn[n-]1 ZINC001592176368 1173822367 /nfs/dbraw/zinc/82/23/67/1173822367.db2.gz LQMPYQBUAGVREW-ZJUUUORDSA-N -1 1 256.313 1.559 20 0 CDADMM Cc1ccc(N2CCC[C@@H]3C[C@@H]32)nc1-c1nn[n-]n1 ZINC001592176368 1173822371 /nfs/dbraw/zinc/82/23/71/1173822371.db2.gz LQMPYQBUAGVREW-ZJUUUORDSA-N -1 1 256.313 1.559 20 0 CDADMM Cc1ccc(N2C[C@H]3[C@@H](C2)C3(F)F)nc1-c1nnn[n-]1 ZINC001592176145 1173823395 /nfs/dbraw/zinc/82/33/95/1173823395.db2.gz WNTOODKIAOREEW-OCAPTIKFSA-N -1 1 278.266 1.271 20 0 CDADMM Cc1ccc(N2C[C@H]3[C@@H](C2)C3(F)F)nc1-c1nn[n-]n1 ZINC001592176145 1173823403 /nfs/dbraw/zinc/82/34/03/1173823403.db2.gz WNTOODKIAOREEW-OCAPTIKFSA-N -1 1 278.266 1.271 20 0 CDADMM Cc1ccc(N2CCO[C@H](C(F)F)C2)nc1-c1nnn[n-]1 ZINC001592174749 1173824043 /nfs/dbraw/zinc/82/40/43/1173824043.db2.gz BNJKNZWXHPQNOR-QMMMGPOBSA-N -1 1 296.281 1.040 20 0 CDADMM Cc1ccc(N2CCO[C@H](C(F)F)C2)nc1-c1nn[n-]n1 ZINC001592174749 1173824049 /nfs/dbraw/zinc/82/40/49/1173824049.db2.gz BNJKNZWXHPQNOR-QMMMGPOBSA-N -1 1 296.281 1.040 20 0 CDADMM Cc1ccc(NCC(C)(C)[C@H](C)O)c(-c2nnn[n-]2)n1 ZINC001592182835 1173826317 /nfs/dbraw/zinc/82/63/17/1173826317.db2.gz BHPSCVOCFSIHJD-VIFPVBQESA-N -1 1 276.344 1.389 20 0 CDADMM Cc1ccc(NCC(C)(C)[C@H](C)O)c(-c2nn[n-]n2)n1 ZINC001592182835 1173826319 /nfs/dbraw/zinc/82/63/19/1173826319.db2.gz BHPSCVOCFSIHJD-VIFPVBQESA-N -1 1 276.344 1.389 20 0 CDADMM Cc1cccc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)c1F ZINC001592221186 1173833158 /nfs/dbraw/zinc/83/31/58/1173833158.db2.gz RZTUVAYHJPYFHX-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1cccc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)c1F ZINC001592221186 1173833165 /nfs/dbraw/zinc/83/31/65/1173833165.db2.gz RZTUVAYHJPYFHX-UHFFFAOYSA-N -1 1 298.281 1.962 20 0 CDADMM Cc1[nH]nc(NCc2cccs2)c1-c1nnn[n-]1 ZINC001592331107 1173856973 /nfs/dbraw/zinc/85/69/73/1173856973.db2.gz QMTGEBPQNZVLBY-UHFFFAOYSA-N -1 1 261.314 1.572 20 0 CDADMM Cc1[nH]nc(NCc2cccs2)c1-c1nn[n-]n1 ZINC001592331107 1173856978 /nfs/dbraw/zinc/85/69/78/1173856978.db2.gz QMTGEBPQNZVLBY-UHFFFAOYSA-N -1 1 261.314 1.572 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2cnc(Cl)s2)c1C ZINC001592339075 1173858569 /nfs/dbraw/zinc/85/85/69/1173858569.db2.gz DAVBYZDZOXNWBI-UHFFFAOYSA-N -1 1 295.759 1.838 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(Cc2cc(Cl)n(C)n2)c1C ZINC001592340640 1173860601 /nfs/dbraw/zinc/86/06/01/1173860601.db2.gz ZBHXOZAZGVGWBB-UHFFFAOYSA-N -1 1 292.734 1.115 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(Cc2cc(Cl)n(C)n2)c1C ZINC001592340640 1173860609 /nfs/dbraw/zinc/86/06/09/1173860609.db2.gz ZBHXOZAZGVGWBB-UHFFFAOYSA-N -1 1 292.734 1.115 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(C[C@@H]2CCC(C)(C)CO2)c1C ZINC001592340624 1173861878 /nfs/dbraw/zinc/86/18/78/1173861878.db2.gz YSHSBBDTKQIRGP-NSHDSACASA-N -1 1 290.371 1.885 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(C[C@@H]2CCC(C)(C)CO2)c1C ZINC001592340624 1173861883 /nfs/dbraw/zinc/86/18/83/1173861883.db2.gz YSHSBBDTKQIRGP-NSHDSACASA-N -1 1 290.371 1.885 20 0 CDADMM Cc1nc(NCCC2CC=CC2)cc(-c2nnn[n-]2)n1 ZINC001592388844 1173879888 /nfs/dbraw/zinc/87/98/88/1173879888.db2.gz ACVKHJXMXVAYEN-UHFFFAOYSA-N -1 1 271.328 1.733 20 0 CDADMM Cc1nc(NCCC2CC=CC2)cc(-c2nn[n-]n2)n1 ZINC001592388844 1173879892 /nfs/dbraw/zinc/87/98/92/1173879892.db2.gz ACVKHJXMXVAYEN-UHFFFAOYSA-N -1 1 271.328 1.733 20 0 CDADMM Cc1nc(Nc2cc3n(n2)CCCC3)cc(-c2nnn[n-]2)n1 ZINC001592397782 1173881714 /nfs/dbraw/zinc/88/17/14/1173881714.db2.gz GHPQMYUXDSZWSC-UHFFFAOYSA-N -1 1 297.326 1.242 20 0 CDADMM Cc1nc(Nc2cc3n(n2)CCCC3)cc(-c2nn[n-]n2)n1 ZINC001592397782 1173881720 /nfs/dbraw/zinc/88/17/20/1173881720.db2.gz GHPQMYUXDSZWSC-UHFFFAOYSA-N -1 1 297.326 1.242 20 0 CDADMM Cc1noc(C)c1[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001592456036 1173895405 /nfs/dbraw/zinc/89/54/05/1173895405.db2.gz DKBCSJDILRYUAY-LURJTMIESA-N -1 1 286.299 1.435 20 0 CDADMM Cc1noc(C)c1[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001592456036 1173895410 /nfs/dbraw/zinc/89/54/10/1173895410.db2.gz DKBCSJDILRYUAY-LURJTMIESA-N -1 1 286.299 1.435 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)C1CCC1 ZINC001592499062 1173904265 /nfs/dbraw/zinc/90/42/65/1173904265.db2.gz IBXJPTLVULFQNN-SSDOTTSWSA-N -1 1 275.312 1.687 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)C1CCC1 ZINC001592499062 1173904272 /nfs/dbraw/zinc/90/42/72/1173904272.db2.gz IBXJPTLVULFQNN-SSDOTTSWSA-N -1 1 275.312 1.687 20 0 CDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CC=CC[C@H]1C ZINC001592502019 1173908420 /nfs/dbraw/zinc/90/84/20/1173908420.db2.gz YYKVJDRQGPQSQR-LDYMZIIASA-N -1 1 287.323 1.853 20 0 CDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CC=CC[C@H]1C ZINC001592502019 1173908425 /nfs/dbraw/zinc/90/84/25/1173908425.db2.gz YYKVJDRQGPQSQR-LDYMZIIASA-N -1 1 287.323 1.853 20 0 CDADMM Clc1cc(COc2cnc(-c3nn[n-]n3)nc2)ccn1 ZINC001592526192 1173913972 /nfs/dbraw/zinc/91/39/72/1173913972.db2.gz QNZKPRCFZHJLPS-UHFFFAOYSA-N -1 1 289.686 1.284 20 0 CDADMM Clc1ccnc(CNc2ncncc2-c2nn[n-]n2)c1 ZINC001592535862 1173914067 /nfs/dbraw/zinc/91/40/67/1173914067.db2.gz BJPVOBAHGNQQBS-UHFFFAOYSA-N -1 1 288.702 1.317 20 0 CDADMM FC(F)[C@H]1CCN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001592625739 1173931782 /nfs/dbraw/zinc/93/17/82/1173931782.db2.gz XPVXEPNPDLTQIU-GSVOUGTGSA-N -1 1 292.702 1.820 20 0 CDADMM FC(F)O[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001592623619 1173932174 /nfs/dbraw/zinc/93/21/74/1173932174.db2.gz QTEOKCHARFCSLM-VIFPVBQESA-N -1 1 296.281 1.470 20 0 CDADMM FC(F)O[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001592623619 1173932176 /nfs/dbraw/zinc/93/21/76/1173932176.db2.gz QTEOKCHARFCSLM-VIFPVBQESA-N -1 1 296.281 1.470 20 0 CDADMM FC1(F)[C@@H]2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@@H]21 ZINC001592628727 1173935946 /nfs/dbraw/zinc/93/59/46/1173935946.db2.gz XZAWUWRTHNABGC-PRJMDXOYSA-N -1 1 293.281 1.502 20 0 CDADMM FC1(F)[C@@H]2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@@H]21 ZINC001592628727 1173935950 /nfs/dbraw/zinc/93/59/50/1173935950.db2.gz XZAWUWRTHNABGC-PRJMDXOYSA-N -1 1 293.281 1.502 20 0 CDADMM FC1(F)CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001592630683 1173939326 /nfs/dbraw/zinc/93/93/26/1173939326.db2.gz KLBUPPSZDZBSGL-UHFFFAOYSA-N -1 1 278.675 1.432 20 0 CDADMM FC1(F)CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001592630683 1173939320 /nfs/dbraw/zinc/93/93/20/1173939320.db2.gz KLBUPPSZDZBSGL-UHFFFAOYSA-N -1 1 278.675 1.432 20 0 CDADMM Fc1ccc(-c2noc(-c3coc(-c4nnn[n-]4)c3)n2)nc1 ZINC001592646706 1173952440 /nfs/dbraw/zinc/95/24/40/1173952440.db2.gz ZGXLRMLVCPFTRM-UHFFFAOYSA-N -1 1 299.225 1.711 20 0 CDADMM Fc1ccc(-c2noc(-c3coc(-c4nn[n-]n4)c3)n2)nc1 ZINC001592646706 1173952446 /nfs/dbraw/zinc/95/24/46/1173952446.db2.gz ZGXLRMLVCPFTRM-UHFFFAOYSA-N -1 1 299.225 1.711 20 0 CDADMM Fc1cccc(OCCOC(F)F)c1-c1nnn[n-]1 ZINC001592658168 1173958201 /nfs/dbraw/zinc/95/82/01/1173958201.db2.gz LHDDRKLPUMJCAB-UHFFFAOYSA-N -1 1 274.202 1.624 20 0 CDADMM Fc1cccc(OCCOC(F)F)c1-c1nn[n-]n1 ZINC001592658168 1173958206 /nfs/dbraw/zinc/95/82/06/1173958206.db2.gz LHDDRKLPUMJCAB-UHFFFAOYSA-N -1 1 274.202 1.624 20 0 CDADMM O=C(C=Cc1ccco1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592802287 1173990752 /nfs/dbraw/zinc/99/07/52/1173990752.db2.gz RTHNVUCJLUKMCW-SREVYHEPSA-N -1 1 282.263 1.507 20 0 CDADMM O=C(C=Cc1ccco1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592802287 1173990753 /nfs/dbraw/zinc/99/07/53/1173990753.db2.gz RTHNVUCJLUKMCW-SREVYHEPSA-N -1 1 282.263 1.507 20 0 CDADMM O=C(NC1(C2CCC2)CCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001592956300 1174007000 /nfs/dbraw/zinc/00/70/00/1174007000.db2.gz AKGFLSVGLWQIDB-UHFFFAOYSA-N -1 1 287.323 1.912 20 0 CDADMM O=C(NC1(C2CCC2)CCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001592956300 1174007007 /nfs/dbraw/zinc/00/70/07/1174007007.db2.gz AKGFLSVGLWQIDB-UHFFFAOYSA-N -1 1 287.323 1.912 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H]1Cc2ccc(F)cc21 ZINC001593197895 1174030960 /nfs/dbraw/zinc/03/09/60/1174030960.db2.gz QMUWDTGDHKCPNI-VIFPVBQESA-N -1 1 299.269 1.007 20 0 CDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H]1Cc2ccc(F)cc21 ZINC001593197895 1174030964 /nfs/dbraw/zinc/03/09/64/1174030964.db2.gz QMUWDTGDHKCPNI-VIFPVBQESA-N -1 1 299.269 1.007 20 0 CDADMM O=C(Nc1cccc(CO)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001593248118 1174038925 /nfs/dbraw/zinc/03/89/25/1174038925.db2.gz VDDIHSYYKVPBRN-UHFFFAOYSA-N -1 1 285.263 1.204 20 0 CDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001593245485 1174039848 /nfs/dbraw/zinc/03/98/48/1174039848.db2.gz PGYXBAUDZHVXLV-BRPSZJMVSA-N -1 1 270.296 1.246 20 0 CDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001593245485 1174039855 /nfs/dbraw/zinc/03/98/55/1174039855.db2.gz PGYXBAUDZHVXLV-BRPSZJMVSA-N -1 1 270.296 1.246 20 0 CDADMM O=C(Nc1cccc(F)n1)c1coc(-c2nnn[n-]2)c1 ZINC001593248897 1174040982 /nfs/dbraw/zinc/04/09/82/1174040982.db2.gz AKZMOONMEHGPSA-UHFFFAOYSA-N -1 1 274.215 1.246 20 0 CDADMM O=C(Nc1cccc(F)n1)c1coc(-c2nn[n-]n2)c1 ZINC001593248897 1174040988 /nfs/dbraw/zinc/04/09/88/1174040988.db2.gz AKZMOONMEHGPSA-UHFFFAOYSA-N -1 1 274.215 1.246 20 0 CDADMM O=C(O[C@H]1COc2ccccc21)c1coc(-c2nnn[n-]2)c1 ZINC001593281764 1174049939 /nfs/dbraw/zinc/04/99/39/1174049939.db2.gz ZXACXLMOJKERBW-LBPRGKRZSA-N -1 1 298.258 1.750 20 0 CDADMM O=C(O[C@H]1COc2ccccc21)c1coc(-c2nn[n-]n2)c1 ZINC001593281764 1174049945 /nfs/dbraw/zinc/04/99/45/1174049945.db2.gz ZXACXLMOJKERBW-LBPRGKRZSA-N -1 1 298.258 1.750 20 0 CDADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)C1CCSCC1 ZINC001593297326 1174056885 /nfs/dbraw/zinc/05/68/85/1174056885.db2.gz FTAOMPAVBHIDFF-UHFFFAOYSA-N -1 1 294.336 1.646 20 0 CDADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)C1CCSCC1 ZINC001593297326 1174056891 /nfs/dbraw/zinc/05/68/91/1174056891.db2.gz FTAOMPAVBHIDFF-UHFFFAOYSA-N -1 1 294.336 1.646 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC(C2CC2)CC1 ZINC001593341355 1174068929 /nfs/dbraw/zinc/06/89/29/1174068929.db2.gz UFTFBEUZEJAAFQ-UHFFFAOYSA-N -1 1 287.323 1.722 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC(C2CC2)CC1 ZINC001593341355 1174068930 /nfs/dbraw/zinc/06/89/30/1174068930.db2.gz UFTFBEUZEJAAFQ-UHFFFAOYSA-N -1 1 287.323 1.722 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC2(CCC2)CC1 ZINC001593367332 1174069942 /nfs/dbraw/zinc/06/99/42/1174069942.db2.gz JLRDDPFUDNSLDA-UHFFFAOYSA-N -1 1 287.323 1.866 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC2(CCC2)CC1 ZINC001593367332 1174069945 /nfs/dbraw/zinc/06/99/45/1174069945.db2.gz JLRDDPFUDNSLDA-UHFFFAOYSA-N -1 1 287.323 1.866 20 0 CDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@H](CF)C1 ZINC001593368140 1174070040 /nfs/dbraw/zinc/07/00/40/1174070040.db2.gz UMPUBAKDLHRSHF-MRVPVSSYSA-N -1 1 279.275 1.281 20 0 CDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@H](CF)C1 ZINC001593368140 1174070048 /nfs/dbraw/zinc/07/00/48/1174070048.db2.gz UMPUBAKDLHRSHF-MRVPVSSYSA-N -1 1 279.275 1.281 20 0 CDADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1CC1CCCCCC1 ZINC001593489614 1174084890 /nfs/dbraw/zinc/08/48/90/1174084890.db2.gz RGUBAGBVQLMDFN-UHFFFAOYSA-N -1 1 290.327 1.099 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ccn1CCCc1cccc(F)c1 ZINC001593494720 1174086512 /nfs/dbraw/zinc/08/65/12/1174086512.db2.gz UQVUASXRQVBEPR-UHFFFAOYSA-N -1 1 299.309 1.800 20 0 CDADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1cc2ccccc2o1 ZINC001593495615 1174087709 /nfs/dbraw/zinc/08/77/09/1174087709.db2.gz LMJPEPIKKWXNGQ-UHFFFAOYSA-N -1 1 294.274 1.218 20 0 CDADMM OCCCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001593531603 1174107663 /nfs/dbraw/zinc/10/76/63/1174107663.db2.gz ORNNHESMKPDKFY-UHFFFAOYSA-N -1 1 274.737 1.161 20 0 CDADMM OCCCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001593531603 1174107668 /nfs/dbraw/zinc/10/76/68/1174107668.db2.gz ORNNHESMKPDKFY-UHFFFAOYSA-N -1 1 274.737 1.161 20 0 CDADMM c1cc(-c2nnn[n-]2)nc(N2CCC3(CCO3)CC2)c1 ZINC001593549823 1174122109 /nfs/dbraw/zinc/12/21/09/1174122109.db2.gz FQHRNEHEIMNTSZ-UHFFFAOYSA-N -1 1 272.312 1.021 20 0 CDADMM c1cc(-c2nn[n-]n2)nc(N2CCC3(CCO3)CC2)c1 ZINC001593549823 1174122113 /nfs/dbraw/zinc/12/21/13/1174122113.db2.gz FQHRNEHEIMNTSZ-UHFFFAOYSA-N -1 1 272.312 1.021 20 0 CDADMM c1cc(-c2nnn[n-]2)nnc1Sc1nc2c([nH]1)CCC2 ZINC001593551512 1174125517 /nfs/dbraw/zinc/12/55/17/1174125517.db2.gz MSOUSAJTQRJZRD-UHFFFAOYSA-N -1 1 286.324 1.020 20 0 CDADMM c1cc(-c2nn[n-]n2)nnc1Sc1nc2c([nH]1)CCC2 ZINC001593551512 1174125522 /nfs/dbraw/zinc/12/55/22/1174125522.db2.gz MSOUSAJTQRJZRD-UHFFFAOYSA-N -1 1 286.324 1.020 20 0 CDADMM c1cc([C@@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)n[nH]1 ZINC001593552440 1174127528 /nfs/dbraw/zinc/12/75/28/1174127528.db2.gz XNYGVQDGHWELDR-NSHDSACASA-N -1 1 297.326 1.111 20 0 CDADMM c1cc([C@@H]2CCCCN2c2cnc(-c3nn[n-]n3)cn2)n[nH]1 ZINC001593552440 1174127531 /nfs/dbraw/zinc/12/75/31/1174127531.db2.gz XNYGVQDGHWELDR-NSHDSACASA-N -1 1 297.326 1.111 20 0 CDADMM c1cc([C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)ccn1 ZINC001593554130 1174128351 /nfs/dbraw/zinc/12/83/51/1174128351.db2.gz NHODUHNGNAQCSR-LLVKDONJSA-N -1 1 294.322 1.046 20 0 CDADMM c1cc([C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)ccn1 ZINC001593554130 1174128353 /nfs/dbraw/zinc/12/83/53/1174128353.db2.gz NHODUHNGNAQCSR-LLVKDONJSA-N -1 1 294.322 1.046 20 0 CDADMM c1cc(CC2CN(c3ccnc(-c4nn[n-]n4)n3)C2)cs1 ZINC001593557621 1174130996 /nfs/dbraw/zinc/13/09/96/1174130996.db2.gz OYSPNOGVSFKRGT-UHFFFAOYSA-N -1 1 299.363 1.397 20 0 CDADMM c1cc(NC[C@@H]2C[C@H]3CCC[C@@H]3O2)nc(-c2nnn[n-]2)c1 ZINC001593558431 1174132854 /nfs/dbraw/zinc/13/28/54/1174132854.db2.gz MUHVNMCWCKQOSD-SCVCMEIPSA-N -1 1 286.339 1.631 20 0 CDADMM c1cc(NC[C@@H]2C[C@H]3CCC[C@@H]3O2)nc(-c2nn[n-]n2)c1 ZINC001593558431 1174132858 /nfs/dbraw/zinc/13/28/58/1174132858.db2.gz MUHVNMCWCKQOSD-SCVCMEIPSA-N -1 1 286.339 1.631 20 0 CDADMM c1cc(NCC[C@@H]2CCCOC2)nc(-c2nnn[n-]2)c1 ZINC001593560928 1174135344 /nfs/dbraw/zinc/13/53/44/1174135344.db2.gz NFIIJKLIJWTHLE-JTQLQIEISA-N -1 1 274.328 1.490 20 0 CDADMM c1cc(NCC[C@@H]2CCCOC2)nc(-c2nn[n-]n2)c1 ZINC001593560928 1174135350 /nfs/dbraw/zinc/13/53/50/1174135350.db2.gz NFIIJKLIJWTHLE-JTQLQIEISA-N -1 1 274.328 1.490 20 0 CDADMM c1cc(N2CCC23CCCC3)nc(-c2nn[n-]n2)n1 ZINC001593559792 1174135564 /nfs/dbraw/zinc/13/55/64/1174135564.db2.gz RAJPCRZQLLVDKC-UHFFFAOYSA-N -1 1 257.301 1.180 20 0 CDADMM c1cc(-c2nn[n-]n2)sc1CN1Cc2ccncc2C1 ZINC001593564486 1174137590 /nfs/dbraw/zinc/13/75/90/1174137590.db2.gz GZTMJDADNZWKHD-UHFFFAOYSA-N -1 1 284.348 1.839 20 0 CDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2SC1COC1 ZINC001593579743 1174144268 /nfs/dbraw/zinc/14/42/68/1174144268.db2.gz DKDODZSESNQMSR-UHFFFAOYSA-N -1 1 286.320 1.301 20 0 CDADMM c1ccc([C@@H]2CCCN2c2ncncc2-c2nn[n-]n2)nc1 ZINC001593572700 1174146170 /nfs/dbraw/zinc/14/61/70/1174146170.db2.gz DSKAAJVPFCEBJZ-LBPRGKRZSA-N -1 1 294.322 1.393 20 0 CDADMM c1ccc2c(c1)C[C@@H](CNc1ncncc1-c1nn[n-]n1)O2 ZINC001593581926 1174147184 /nfs/dbraw/zinc/14/71/84/1174147184.db2.gz YLZIEOUZZOJULR-JTQLQIEISA-N -1 1 295.306 1.072 20 0 CDADMM c1ccc(CN(c2cncc(-c3nnn[n-]3)n2)C2CC2)cc1 ZINC001593586019 1174153904 /nfs/dbraw/zinc/15/39/04/1174153904.db2.gz GVQRKBQEBZZSQU-UHFFFAOYSA-N -1 1 293.334 1.826 20 0 CDADMM c1ccc(CN(c2cncc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC001593586019 1174153912 /nfs/dbraw/zinc/15/39/12/1174153912.db2.gz GVQRKBQEBZZSQU-UHFFFAOYSA-N -1 1 293.334 1.826 20 0 CDADMM c1cnc(-c2nnn[n-]2)c(SC[C@H]2CCOC2)c1 ZINC001593584884 1174154120 /nfs/dbraw/zinc/15/41/20/1174154120.db2.gz QCDIHJGCLPZEES-QMMMGPOBSA-N -1 1 263.326 1.390 20 0 CDADMM c1cnc(-c2nn[n-]n2)c(SC[C@H]2CCOC2)c1 ZINC001593584884 1174154126 /nfs/dbraw/zinc/15/41/26/1174154126.db2.gz QCDIHJGCLPZEES-QMMMGPOBSA-N -1 1 263.326 1.390 20 0 CDADMM c1nc(-c2nnn[n-]2)cnc1NCCCCC1CC1 ZINC001593590454 1174156873 /nfs/dbraw/zinc/15/68/73/1174156873.db2.gz SWRYPFQMWYEKJT-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM c1nc(-c2nn[n-]n2)cnc1NCCCCC1CC1 ZINC001593590454 1174156881 /nfs/dbraw/zinc/15/68/81/1174156881.db2.gz SWRYPFQMWYEKJT-UHFFFAOYSA-N -1 1 259.317 1.649 20 0 CDADMM c1nc(N[C@@H]2C[C@@H]3CCC[C@H]23)cc(-c2nnn[n-]2)n1 ZINC001593591094 1174160004 /nfs/dbraw/zinc/16/00/04/1174160004.db2.gz LGVXFNFHWRLVTE-XHNCKOQMSA-N -1 1 257.301 1.257 20 0 CDADMM c1nc(N[C@@H]2C[C@@H]3CCC[C@H]23)cc(-c2nn[n-]n2)n1 ZINC001593591094 1174160008 /nfs/dbraw/zinc/16/00/08/1174160008.db2.gz LGVXFNFHWRLVTE-XHNCKOQMSA-N -1 1 257.301 1.257 20 0 CDADMM Cn1cc(NC(=O)c2ncc3ccccc3c2[O-])ccc1=O ZINC001597070510 1174257087 /nfs/dbraw/zinc/25/70/87/1174257087.db2.gz KXAAWNGCFYWATK-UHFFFAOYSA-N -1 1 295.298 1.891 20 0 CDADMM Cc1cc(CCC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)n[nH]1 ZINC001600187953 1174391518 /nfs/dbraw/zinc/39/15/18/1174391518.db2.gz DXYZIYYJMWQCCY-ZDUSSCGKSA-N -1 1 293.367 1.800 20 0 CDADMM Cc1cc(C[C@H](C)NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)n[nH]1 ZINC001600189278 1174393504 /nfs/dbraw/zinc/39/35/04/1174393504.db2.gz MACXNAYWSVVNAY-DLOVCJGASA-N -1 1 293.367 1.656 20 0 CDADMM Cc1coc(CN[C@H](C[C@@H]2CCCOC2)C(=O)[O-])c1 ZINC001600644416 1174548735 /nfs/dbraw/zinc/54/87/35/1174548735.db2.gz OTEZSNXYGGOVLY-WCQYABFASA-N -1 1 267.325 1.948 20 0 CDADMM Cc1nc(CN2CCSC[C@H](C(=O)[O-])C2)oc1C ZINC001600701396 1174572643 /nfs/dbraw/zinc/57/26/43/1174572643.db2.gz RZDMCZXVNCFBEK-SNVBAGLBSA-N -1 1 270.354 1.541 20 0 CDADMM Cc1ncoc1CN1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001600758694 1174598374 /nfs/dbraw/zinc/59/83/74/1174598374.db2.gz VWHVLXNHSDKOBJ-UHFFFAOYSA-N -1 1 294.351 1.565 20 0 CDADMM Cc1oc(CNC(=O)c2[nH]nc3c2CCC3)cc1C(=O)[O-] ZINC001600850577 1174642217 /nfs/dbraw/zinc/64/22/17/1174642217.db2.gz DYIOMXNDTFGFJG-UHFFFAOYSA-N -1 1 289.291 1.428 20 0 CDADMM Cc1ccc(CN(C)c2ccnc(-c3nnn[n-]3)c2)o1 ZINC000103644875 1174683417 /nfs/dbraw/zinc/68/34/17/1174683417.db2.gz ZECHLXFMEGSBEK-UHFFFAOYSA-N -1 1 270.296 1.800 20 0 CDADMM Cc1ccc(CN(C)c2ccnc(-c3nn[n-]n3)c2)o1 ZINC000103644875 1174683425 /nfs/dbraw/zinc/68/34/25/1174683425.db2.gz ZECHLXFMEGSBEK-UHFFFAOYSA-N -1 1 270.296 1.800 20 0 CDADMM Nc1ccncc1C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001601218598 1174795557 /nfs/dbraw/zinc/79/55/57/1174795557.db2.gz NSQPMTHCCZVTAK-UHFFFAOYSA-N -1 1 277.324 1.259 20 0 CDADMM O=C([O-])C12CC(C1)CN2CC(=O)Nc1cccc(Cl)c1 ZINC001601305746 1174829930 /nfs/dbraw/zinc/82/99/30/1174829930.db2.gz FQLIFIXUVZVGSR-UHFFFAOYSA-N -1 1 294.738 1.828 20 0 CDADMM O=C([O-])[C@]1(C(=O)Nc2c[nH]nn2)C[C@@H]1c1ccccc1 ZINC001601704436 1174957045 /nfs/dbraw/zinc/95/70/45/1174957045.db2.gz OUHZGSMQRYEVRL-NOZJJQNGSA-N -1 1 272.264 1.002 20 0 CDADMM O=C([O-])[C@@H]1C[C@H](O)CN(C[C@H](O)c2cccc(Cl)c2)C1 ZINC001601770823 1174997885 /nfs/dbraw/zinc/99/78/85/1174997885.db2.gz ZMFXTIOUZVADIF-WXHSDQCUSA-N -1 1 299.754 1.141 20 0 CDADMM O=C([O-])C[C@H]1CCCCN1CN1C[C@@H]2CCCCN2C1=O ZINC001601949643 1175082262 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ZINC000823396417 606134977 /nfs/dbraw/zinc/13/49/77/606134977.db2.gz JCJXBTGCEKCQSS-UHFFFAOYSA-N -1 1 278.293 1.064 20 0 CDADMM C[C@@H]1CO[C@@H](C)CN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820778946 606449303 /nfs/dbraw/zinc/44/93/03/606449303.db2.gz ZFBSBKQQNCSEGA-SFYZADRCSA-N -1 1 294.746 1.529 20 0 CDADMM C[C@@H]1CO[C@@H](C)CN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820778946 606449304 /nfs/dbraw/zinc/44/93/04/606449304.db2.gz ZFBSBKQQNCSEGA-SFYZADRCSA-N -1 1 294.746 1.529 20 0 CDADMM CCN(CC)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821175055 606486971 /nfs/dbraw/zinc/48/69/71/606486971.db2.gz BFKQDIZXLHQYPO-UHFFFAOYSA-N -1 1 251.315 1.410 20 0 CDADMM CCN(CC)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821175055 606486973 /nfs/dbraw/zinc/48/69/73/606486973.db2.gz BFKQDIZXLHQYPO-UHFFFAOYSA-N -1 1 251.315 1.410 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H](C)CO1 ZINC000820743932 606506582 /nfs/dbraw/zinc/50/65/82/606506582.db2.gz WTDYFTCQULQBDC-JGVFFNPUSA-N -1 1 293.352 1.178 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)[C@@H](C)CO1 ZINC000820743932 606506584 /nfs/dbraw/zinc/50/65/84/606506584.db2.gz WTDYFTCQULQBDC-JGVFFNPUSA-N -1 1 293.352 1.178 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820715675 606543503 /nfs/dbraw/zinc/54/35/03/606543503.db2.gz BZKVRBOFVQYCJN-ZETCQYMHSA-N -1 1 263.326 1.410 20 0 CDADMM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820715675 606543505 /nfs/dbraw/zinc/54/35/05/606543505.db2.gz BZKVRBOFVQYCJN-ZETCQYMHSA-N -1 1 263.326 1.410 20 0 CDADMM Cc1ncc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC000822471467 606550548 /nfs/dbraw/zinc/55/05/48/606550548.db2.gz CVOZBICIOIJJPY-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM Cc1ncc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC000822471467 606550551 /nfs/dbraw/zinc/55/05/51/606550551.db2.gz CVOZBICIOIJJPY-UHFFFAOYSA-N -1 1 287.308 1.279 20 0 CDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@H]1C1CC1 ZINC000823482920 606551496 /nfs/dbraw/zinc/55/14/96/606551496.db2.gz CFDKBKCYANXLBZ-VIFPVBQESA-N -1 1 289.364 1.943 20 0 CDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@H]1C1CC1 ZINC000823482920 606551497 /nfs/dbraw/zinc/55/14/97/606551497.db2.gz CFDKBKCYANXLBZ-VIFPVBQESA-N -1 1 289.364 1.943 20 0 CDADMM CCC1(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)CCC1 ZINC000820962394 606552714 /nfs/dbraw/zinc/55/27/14/606552714.db2.gz PNGMMKCYQPNAOI-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM CCC1(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)CCC1 ZINC000820962394 606552715 /nfs/dbraw/zinc/55/27/15/606552715.db2.gz PNGMMKCYQPNAOI-UHFFFAOYSA-N -1 1 286.339 1.572 20 0 CDADMM CC1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820595895 606577371 /nfs/dbraw/zinc/57/73/71/606577371.db2.gz KZOOGPAYFRQCLJ-UHFFFAOYSA-N -1 1 277.353 1.800 20 0 CDADMM CC1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820595895 606577373 /nfs/dbraw/zinc/57/73/73/606577373.db2.gz KZOOGPAYFRQCLJ-UHFFFAOYSA-N -1 1 277.353 1.800 20 0 CDADMM Fc1ncccc1Oc1ncccc1-c1nn[n-]n1 ZINC000822796428 606633631 /nfs/dbraw/zinc/63/36/31/606633631.db2.gz QMULYQSUACZPFC-UHFFFAOYSA-N -1 1 258.216 1.588 20 0 CDADMM O=C(COC(=O)c1sccc1-c1nn[n-]n1)C1CCC1 ZINC000823396546 606635477 /nfs/dbraw/zinc/63/54/77/606635477.db2.gz LEESCLSXSIPFGB-UHFFFAOYSA-N -1 1 292.320 1.454 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000823436236 606649140 /nfs/dbraw/zinc/64/91/40/606649140.db2.gz NAXSKKSHUIFIBK-UHFFFAOYSA-N -1 1 299.265 1.758 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000823436236 606649141 /nfs/dbraw/zinc/64/91/41/606649141.db2.gz NAXSKKSHUIFIBK-UHFFFAOYSA-N -1 1 299.265 1.758 20 0 CDADMM CC(C)(C)/C=C\C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000819906315 606651723 /nfs/dbraw/zinc/65/17/23/606651723.db2.gz DTNKDCNXATYCHD-XQRVVYSFSA-N -1 1 287.323 1.907 20 0 CDADMM CC(C)(C)/C=C\C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000819906315 606651724 /nfs/dbraw/zinc/65/17/24/606651724.db2.gz DTNKDCNXATYCHD-XQRVVYSFSA-N -1 1 287.323 1.907 20 0 CDADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)C1CCOCC1 ZINC000820461061 606791941 /nfs/dbraw/zinc/79/19/41/606791941.db2.gz DRZMWHSADHFCGJ-SECBINFHSA-N -1 1 274.328 1.489 20 0 CDADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)C1CCOCC1 ZINC000820461061 606791943 /nfs/dbraw/zinc/79/19/43/606791943.db2.gz DRZMWHSADHFCGJ-SECBINFHSA-N -1 1 274.328 1.489 20 0 CDADMM C[C@@H]1CCC(=CC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000820678658 606828546 /nfs/dbraw/zinc/82/85/46/606828546.db2.gz WWHSAARMOGUWMC-KBUNYLKBSA-N -1 1 273.300 1.032 20 0 CDADMM c1cc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc(-c2nnn[n-]2)c1 ZINC000826516842 607822473 /nfs/dbraw/zinc/82/24/73/607822473.db2.gz DSDWSLQWFMHZME-BIMULSAOSA-N -1 1 298.350 1.631 20 0 CDADMM c1cc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc(-c2nn[n-]n2)c1 ZINC000826516842 607822474 /nfs/dbraw/zinc/82/24/74/607822474.db2.gz DSDWSLQWFMHZME-BIMULSAOSA-N -1 1 298.350 1.631 20 0 CDADMM COCCN(c1cccc(-c2nnn[n-]2)n1)C1CCCC1 ZINC000826159952 607898305 /nfs/dbraw/zinc/89/83/05/607898305.db2.gz YTZMVNBCSNXEMA-UHFFFAOYSA-N -1 1 288.355 1.657 20 0 CDADMM COCCN(c1cccc(-c2nn[n-]n2)n1)C1CCCC1 ZINC000826159952 607898306 /nfs/dbraw/zinc/89/83/06/607898306.db2.gz YTZMVNBCSNXEMA-UHFFFAOYSA-N -1 1 288.355 1.657 20 0 CDADMM COC(=O)[C@@H](Nc1cccc(-c2nnn[n-]2)n1)C(C)(C)C ZINC000826111331 607901651 /nfs/dbraw/zinc/90/16/51/607901651.db2.gz CZPOHLCFRSUAGQ-SNVBAGLBSA-N -1 1 290.327 1.261 20 0 CDADMM COC(=O)[C@@H](Nc1cccc(-c2nn[n-]n2)n1)C(C)(C)C ZINC000826111331 607901652 /nfs/dbraw/zinc/90/16/52/607901652.db2.gz CZPOHLCFRSUAGQ-SNVBAGLBSA-N -1 1 290.327 1.261 20 0 CDADMM Fc1ccccc1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826378718 607988166 /nfs/dbraw/zinc/98/81/66/607988166.db2.gz XLOLJWYUHCRUGQ-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM Fc1ccccc1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826378718 607988167 /nfs/dbraw/zinc/98/81/67/607988167.db2.gz XLOLJWYUHCRUGQ-UHFFFAOYSA-N -1 1 285.286 1.450 20 0 CDADMM O=C(C=Cc1ccco1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826403225 607998878 /nfs/dbraw/zinc/99/88/78/607998878.db2.gz MSRPGJAUOFBHEL-XQRVVYSFSA-N -1 1 297.274 1.817 20 0 CDADMM Cc1ccc2c(c1)CCN2c1nccnc1-c1nnn[n-]1 ZINC000826294487 608296050 /nfs/dbraw/zinc/29/60/50/608296050.db2.gz SSYNDAIJTUFHIK-UHFFFAOYSA-N -1 1 279.307 1.659 20 0 CDADMM Cc1ccc2c(c1)CCN2c1nccnc1-c1nn[n-]n1 ZINC000826294487 608296052 /nfs/dbraw/zinc/29/60/52/608296052.db2.gz SSYNDAIJTUFHIK-UHFFFAOYSA-N -1 1 279.307 1.659 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H]1C ZINC000824946222 608312680 /nfs/dbraw/zinc/31/26/80/608312680.db2.gz ISEYNXXCGNYTOL-NXEZZACHSA-N -1 1 286.339 1.380 20 0 CDADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H]1C ZINC000824946222 608312683 /nfs/dbraw/zinc/31/26/83/608312683.db2.gz ISEYNXXCGNYTOL-NXEZZACHSA-N -1 1 286.339 1.380 20 0 CDADMM Cc1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826298437 608395159 /nfs/dbraw/zinc/39/51/59/608395159.db2.gz RYXAUEWNEZCWDB-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826298437 608395160 /nfs/dbraw/zinc/39/51/60/608395160.db2.gz RYXAUEWNEZCWDB-UHFFFAOYSA-N -1 1 267.296 1.577 20 0 CDADMM Cc1nc(Sc2ccc(-c3nnn[n-]3)nn2)oc1C ZINC000826327459 608395401 /nfs/dbraw/zinc/39/54/01/608395401.db2.gz INEHPWVLTPVIEY-UHFFFAOYSA-N -1 1 275.297 1.413 20 0 CDADMM C[C@@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC000824919856 608417835 /nfs/dbraw/zinc/41/78/35/608417835.db2.gz ZVTBUZZWSIFXSF-UTLUCORTSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC000824919856 608417837 /nfs/dbraw/zinc/41/78/37/608417837.db2.gz ZVTBUZZWSIFXSF-UTLUCORTSA-N -1 1 273.344 1.893 20 0 CDADMM C[C@@H]1CC[C@@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824906935 608425825 /nfs/dbraw/zinc/42/58/25/608425825.db2.gz FOWMUUROZLFTDF-RKDXNWHRSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@@H]1CC[C@@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824906935 608425826 /nfs/dbraw/zinc/42/58/26/608425826.db2.gz FOWMUUROZLFTDF-RKDXNWHRSA-N -1 1 259.317 1.282 20 0 CDADMM CC1(C)CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824801102 608556062 /nfs/dbraw/zinc/55/60/62/608556062.db2.gz ATVDKOIIWSZUOE-MRVPVSSYSA-N -1 1 259.317 1.647 20 0 CDADMM CC1(C)CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824801102 608556063 /nfs/dbraw/zinc/55/60/63/608556063.db2.gz ATVDKOIIWSZUOE-MRVPVSSYSA-N -1 1 259.317 1.647 20 0 CDADMM CC1(C)CN(Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC000824806807 608594382 /nfs/dbraw/zinc/59/43/82/608594382.db2.gz CDDFWSDLFJEUMV-UHFFFAOYSA-N -1 1 263.301 1.071 20 0 CDADMM CC1(C)CN(Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC000824806807 608594383 /nfs/dbraw/zinc/59/43/83/608594383.db2.gz CDDFWSDLFJEUMV-UHFFFAOYSA-N -1 1 263.301 1.071 20 0 CDADMM CCC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC000825261297 608713219 /nfs/dbraw/zinc/71/32/19/608713219.db2.gz WDOLMTMJLDZLAZ-SNVBAGLBSA-N -1 1 277.328 1.461 20 0 CDADMM CCC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC000825261297 608713223 /nfs/dbraw/zinc/71/32/23/608713223.db2.gz WDOLMTMJLDZLAZ-SNVBAGLBSA-N -1 1 277.328 1.461 20 0 CDADMM C[C@@H]1COC[C@@H](C)N1Cc1ccc(-c2nnn[n-]2)o1 ZINC000825006604 608718653 /nfs/dbraw/zinc/71/86/53/608718653.db2.gz MCAUUHORAHOYBT-RKDXNWHRSA-N -1 1 263.301 1.069 20 0 CDADMM C[C@@H]1COC[C@@H](C)N1Cc1ccc(-c2nn[n-]n2)o1 ZINC000825006604 608718654 /nfs/dbraw/zinc/71/86/54/608718654.db2.gz MCAUUHORAHOYBT-RKDXNWHRSA-N -1 1 263.301 1.069 20 0 CDADMM c1cn(Cc2ccn(C3CCCC3)n2)c(-c2nnn[n-]2)n1 ZINC000826524781 608889694 /nfs/dbraw/zinc/88/96/94/608889694.db2.gz JYKDAYHKSQZNEU-UHFFFAOYSA-N -1 1 284.327 1.423 20 0 CDADMM c1cn(Cc2ccn(C3CCCC3)n2)c(-c2nn[n-]n2)n1 ZINC000826524781 608889695 /nfs/dbraw/zinc/88/96/95/608889695.db2.gz JYKDAYHKSQZNEU-UHFFFAOYSA-N -1 1 284.327 1.423 20 0 CDADMM CC(C)(C)c1cnc(Cn2ccnc2-c2nnn[n-]2)o1 ZINC000824135191 608891855 /nfs/dbraw/zinc/89/18/55/608891855.db2.gz BUIUJJAPHOWYRH-UHFFFAOYSA-N -1 1 273.300 1.397 20 0 CDADMM CC(C)(C)c1cnc(Cn2ccnc2-c2nn[n-]n2)o1 ZINC000824135191 608891858 /nfs/dbraw/zinc/89/18/58/608891858.db2.gz BUIUJJAPHOWYRH-UHFFFAOYSA-N -1 1 273.300 1.397 20 0 CDADMM FCc1ccc(Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000826370499 609268351 /nfs/dbraw/zinc/26/83/51/609268351.db2.gz VXBAEDOUVYZKDC-UHFFFAOYSA-N -1 1 258.260 1.581 20 0 CDADMM FCc1ccc(Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000826370499 609268352 /nfs/dbraw/zinc/26/83/52/609268352.db2.gz VXBAEDOUVYZKDC-UHFFFAOYSA-N -1 1 258.260 1.581 20 0 CDADMM FC1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000826370281 609595747 /nfs/dbraw/zinc/59/57/47/609595747.db2.gz LRUPVANLTNZJDM-UHFFFAOYSA-N -1 1 254.656 1.073 20 0 CDADMM FC1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000826370281 609595750 /nfs/dbraw/zinc/59/57/50/609595750.db2.gz LRUPVANLTNZJDM-UHFFFAOYSA-N -1 1 254.656 1.073 20 0 CDADMM CC[C@@H]1c2ccccc2CN1C(=O)CCc1nn[n-]n1 ZINC000890614499 617233607 /nfs/dbraw/zinc/23/36/07/617233607.db2.gz CJABCPBGWSKSJZ-GFCCVEGCSA-N -1 1 271.324 1.626 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@@H](O)[C@H](F)C1 ZINC000890692766 617278831 /nfs/dbraw/zinc/27/88/31/617278831.db2.gz XCVVZNMAIZLEDL-MWLCHTKSSA-N -1 1 257.236 1.076 20 0 CDADMM C[C@H](C(=O)[N-]OC1CCOCC1)c1cccc(O)c1 ZINC000935455805 617418515 /nfs/dbraw/zinc/41/85/15/617418515.db2.gz HPWBPITXUVHNKD-JTQLQIEISA-N -1 1 265.309 1.723 20 0 CDADMM CC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])CC1(C)C ZINC000966914599 614151758 /nfs/dbraw/zinc/15/17/58/614151758.db2.gz OJDINXOLWRUENM-LBPRGKRZSA-N -1 1 291.351 1.164 20 0 CDADMM COCc1nc(N[C@H](CO)c2ccsc2)cc(=O)[n-]1 ZINC000893234394 617479144 /nfs/dbraw/zinc/47/91/44/617479144.db2.gz YUNUXGWCVFOCGK-SECBINFHSA-N -1 1 281.337 1.536 20 0 CDADMM CCC(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000937133338 614544616 /nfs/dbraw/zinc/54/46/16/614544616.db2.gz LJQUOTVCEYQGTJ-NSHDSACASA-N -1 1 291.351 1.308 20 0 CDADMM CC(C)OCCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891624685 617510688 /nfs/dbraw/zinc/51/06/88/617510688.db2.gz BCHUMEZTBURDJQ-UHFFFAOYSA-N -1 1 279.340 1.815 20 0 CDADMM C[C@H]1C[C@@H](C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CCO1 ZINC000891618321 617506907 /nfs/dbraw/zinc/50/69/07/617506907.db2.gz OYLUKKUXMCKUBL-UWVGGRQHSA-N -1 1 291.351 1.815 20 0 CDADMM CC[C@H](C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000937861471 615640996 /nfs/dbraw/zinc/64/09/96/615640996.db2.gz SPZMLTHOSWLADD-QWRGUYRKSA-N -1 1 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284.327 1.267 20 0 CDADMM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H]1c1nnc[nH]1 ZINC001605879388 1163704710 /nfs/dbraw/zinc/70/47/10/1163704710.db2.gz FRYWFOCUWHBHGI-JTQLQIEISA-N -1 1 290.323 1.995 20 0 CDADMM Cc1cccc(OCCOc2cnc(-c3nn[n-]n3)nc2)c1 ZINC001605923313 1163716313 /nfs/dbraw/zinc/71/63/13/1163716313.db2.gz ATRDMDBXXAGZSP-UHFFFAOYSA-N -1 1 298.306 1.423 20 0 CDADMM Cc1cccc2c1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001605931088 1163717468 /nfs/dbraw/zinc/71/74/68/1163717468.db2.gz RYYJXXLFYQTCLK-UHFFFAOYSA-N -1 1 279.307 1.659 20 0 CDADMM Cc1cccc2c1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001605931088 1163717477 /nfs/dbraw/zinc/71/74/77/1163717477.db2.gz RYYJXXLFYQTCLK-UHFFFAOYSA-N -1 1 279.307 1.659 20 0 CDADMM Cc1ccccc1[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001605934559 1163718621 /nfs/dbraw/zinc/71/86/21/1163718621.db2.gz GNQZJOXOWPTMBC-LBPRGKRZSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1ccccc1[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001605934559 1163718628 /nfs/dbraw/zinc/71/86/28/1163718628.db2.gz GNQZJOXOWPTMBC-LBPRGKRZSA-N -1 1 297.322 1.111 20 0 CDADMM Cc1nc(-c2nnn[n-]2)n(CC(=O)c2nccs2)c1C ZINC001606021497 1163748122 /nfs/dbraw/zinc/74/81/22/1163748122.db2.gz UYPPKAYDFHXOQI-UHFFFAOYSA-N -1 1 289.324 1.019 20 0 CDADMM Cc1nc(-c2nn[n-]n2)n(CC(=O)c2nccs2)c1C ZINC001606021497 1163748130 /nfs/dbraw/zinc/74/81/30/1163748130.db2.gz UYPPKAYDFHXOQI-UHFFFAOYSA-N -1 1 289.324 1.019 20 0 CDADMM Cc1nc(C(C)C)ccc1Cn1ccnc1-c1nnn[n-]1 ZINC001606034480 1163751331 /nfs/dbraw/zinc/75/13/31/1163751331.db2.gz ZEXGVIUEYWWWQW-UHFFFAOYSA-N -1 1 283.339 1.938 20 0 CDADMM Cc1nc(C(C)C)ccc1Cn1ccnc1-c1nn[n-]n1 ZINC001606034480 1163751334 /nfs/dbraw/zinc/75/13/34/1163751334.db2.gz ZEXGVIUEYWWWQW-UHFFFAOYSA-N -1 1 283.339 1.938 20 0 CDADMM Cc1nc(NCCOc2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001606074692 1163764237 /nfs/dbraw/zinc/76/42/37/1163764237.db2.gz SWGWAWWRSGKUCB-UHFFFAOYSA-N -1 1 297.322 1.456 20 0 CDADMM Cc1nc(NCCOc2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001606074692 1163764243 /nfs/dbraw/zinc/76/42/43/1163764243.db2.gz SWGWAWWRSGKUCB-UHFFFAOYSA-N -1 1 297.322 1.456 20 0 CDADMM CN(Cc1ccccn1)C[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC001606170163 1163796388 /nfs/dbraw/zinc/79/63/88/1163796388.db2.gz VZWXHFAQJNTSHB-NXEZZACHSA-N -1 1 256.252 1.479 20 0 CDADMM C[N@@H+](Cn1nc(C(=O)[O-])c2ccccc21)CC1(C)COC1 ZINC001606179296 1163799543 /nfs/dbraw/zinc/79/95/43/1163799543.db2.gz MDQMGAQCXXOWQN-UHFFFAOYSA-N -1 1 289.335 1.660 20 0 CDADMM CN(Cn1nc(C(=O)[O-])c2ccccc21)CC1(C)COC1 ZINC001606179296 1163799546 /nfs/dbraw/zinc/79/95/46/1163799546.db2.gz MDQMGAQCXXOWQN-UHFFFAOYSA-N -1 1 289.335 1.660 20 0 CDADMM CO[C@](C)(C(=O)N=c1ccnc2n(C)[n-]cc1-2)C1CC1 ZINC000813235667 1163842020 /nfs/dbraw/zinc/84/20/20/1163842020.db2.gz VTUCJGIAMNMCDS-AWEZNQCLSA-N -1 1 274.324 1.095 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc2ccccc2o1 ZINC001606446311 1163902804 /nfs/dbraw/zinc/90/28/04/1163902804.db2.gz MVOBJJVHRUKMSC-UHFFFAOYSA-N -1 1 295.262 1.080 20 0 CDADMM COC(=O)[C@@H]1CCN(Cc2cccc(C(=O)[O-])n2)[C@H](C)C1 ZINC001606507253 1163919398 /nfs/dbraw/zinc/91/93/98/1163919398.db2.gz WWFXKVAGGSSFJO-GHMZBOCLSA-N -1 1 292.335 1.553 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCC2(CC2)CC1 ZINC001606595521 1163934419 /nfs/dbraw/zinc/93/44/19/1163934419.db2.gz YIYFYWABJNXSPX-UHFFFAOYSA-N -1 1 298.350 1.207 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCC2(CC2)CC1 ZINC001606595521 1163934423 /nfs/dbraw/zinc/93/44/23/1163934423.db2.gz YIYFYWABJNXSPX-UHFFFAOYSA-N -1 1 298.350 1.207 20 0 CDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)C1(F)CCCCC1 ZINC001606953697 1164036106 /nfs/dbraw/zinc/03/61/06/1164036106.db2.gz YGDPXSKLSFFVAW-UHFFFAOYSA-N -1 1 296.331 1.934 20 0 CDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)C1(F)CCCCC1 ZINC001606953697 1164036111 /nfs/dbraw/zinc/03/61/11/1164036111.db2.gz YGDPXSKLSFFVAW-UHFFFAOYSA-N -1 1 296.331 1.934 20 0 CDADMM O=C(OC[C@H]1CC12CCC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001606965936 1164040603 /nfs/dbraw/zinc/04/06/03/1164040603.db2.gz XBTAZDIZFJBTPW-SNVBAGLBSA-N -1 1 285.307 1.609 20 0 CDADMM O=C(OC[C@H]1CC12CCC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001606965936 1164040612 /nfs/dbraw/zinc/04/06/12/1164040612.db2.gz XBTAZDIZFJBTPW-SNVBAGLBSA-N -1 1 285.307 1.609 20 0 CDADMM COCc1cnc(CN[C@H]2C[C@@H](C(=O)[O-])C2)s1 ZINC001606971363 1164044097 /nfs/dbraw/zinc/04/40/97/1164044097.db2.gz IDHWIKMAQAUEJE-OCAPTIKFSA-N -1 1 256.327 1.242 20 0 CDADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)[C@H]1CC12CCC2 ZINC001606985370 1164048718 /nfs/dbraw/zinc/04/87/18/1164048718.db2.gz MQPAXDXZSLPWKT-SSDOTTSWSA-N -1 1 291.336 1.557 20 0 CDADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)[C@H]1CC12CCC2 ZINC001606985370 1164048725 /nfs/dbraw/zinc/04/87/25/1164048725.db2.gz MQPAXDXZSLPWKT-SSDOTTSWSA-N -1 1 291.336 1.557 20 0 CDADMM CON1CCC(N(C)Cc2ncc(C(=O)[O-])s2)CC1 ZINC001606994452 1164053914 /nfs/dbraw/zinc/05/39/14/1164053914.db2.gz GLEVOIOKXQAFGR-UHFFFAOYSA-N -1 1 285.369 1.299 20 0 CDADMM O=c1c(-c2nn[n-]n2)c2c(cn1Cc1ccsc1)CCC2 ZINC001607089438 1164074995 /nfs/dbraw/zinc/07/49/95/1164074995.db2.gz UFZOGUOEOFVCPW-UHFFFAOYSA-N -1 1 299.359 1.627 20 0 CDADMM OCC[C@H]1CCC[C@@H]1Nc1cccnc1-c1nnn[n-]1 ZINC001607106159 1164085748 /nfs/dbraw/zinc/08/57/48/1164085748.db2.gz RNDSHEVWLMYPBB-ZJUUUORDSA-N -1 1 274.328 1.225 20 0 CDADMM OCC[C@H]1CCC[C@@H]1Nc1cccnc1-c1nn[n-]n1 ZINC001607106159 1164085755 /nfs/dbraw/zinc/08/57/55/1164085755.db2.gz RNDSHEVWLMYPBB-ZJUUUORDSA-N -1 1 274.328 1.225 20 0 CDADMM c1[nH]nc(NCc2cccc3c2CCC3)c1-c1nnn[n-]1 ZINC001607124062 1164107769 /nfs/dbraw/zinc/10/77/69/1164107769.db2.gz USMZEDMQOXIBLT-UHFFFAOYSA-N -1 1 281.323 1.691 20 0 CDADMM c1[nH]nc(NCc2cccc3c2CCC3)c1-c1nn[n-]n1 ZINC001607124062 1164107774 /nfs/dbraw/zinc/10/77/74/1164107774.db2.gz USMZEDMQOXIBLT-UHFFFAOYSA-N -1 1 281.323 1.691 20 0 CDADMM c1ccc([C@@H]2C[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001607130911 1164110277 /nfs/dbraw/zinc/11/02/77/1164110277.db2.gz KOVVIQDTAKQUAS-RYUDHWBXSA-N -1 1 293.334 1.294 20 0 CDADMM c1ccc2c(c1)CC(Nc1ccnc(-c3nnn[n-]3)c1)C2 ZINC001607131785 1164110398 /nfs/dbraw/zinc/11/03/98/1164110398.db2.gz OPNSDRPQKZUTLY-UHFFFAOYSA-N -1 1 278.319 1.263 20 0 CDADMM c1ccc2c(c1)CC(Nc1ccnc(-c3nn[n-]n3)c1)C2 ZINC001607131785 1164110405 /nfs/dbraw/zinc/11/04/05/1164110405.db2.gz OPNSDRPQKZUTLY-UHFFFAOYSA-N -1 1 278.319 1.263 20 0 CDADMM COc1ncncc1CN(CCC(=O)[O-])C(C)C ZINC001607361296 1164159302 /nfs/dbraw/zinc/15/93/02/1164159302.db2.gz BIYYUACJJLLQNH-UHFFFAOYSA-N -1 1 253.302 1.170 20 0 CDADMM O=C(c1ccc([O-])c(F)c1)N1CC2(C1)CCOC2 ZINC000819378370 1164200218 /nfs/dbraw/zinc/20/02/18/1164200218.db2.gz BASWVKSQEXEOFM-UHFFFAOYSA-N -1 1 251.257 1.394 20 0 CDADMM Cc1c(Cl)c(C(=O)[O-])nn1CN(C)CC1CC1 ZINC001607528880 1164219667 /nfs/dbraw/zinc/21/96/67/1164219667.db2.gz QGKMYIKIOGUDHA-UHFFFAOYSA-N -1 1 257.721 1.842 20 0 CDADMM Cc1ccc(CN2CCC[C@@H]2C(N)=O)cc1C(=O)[O-] ZINC001607781500 1164293397 /nfs/dbraw/zinc/29/33/97/1164293397.db2.gz XJDVBNRHGQBBIW-GFCCVEGCSA-N -1 1 262.309 1.143 20 0 CDADMM Cc1nnc([C@@H](C)NC2CC(CC(=O)[O-])C2)s1 ZINC001608013832 1164365199 /nfs/dbraw/zinc/36/51/99/1164365199.db2.gz VXAWIJXVLCRMCF-KXNKJCORSA-N -1 1 255.343 1.750 20 0 CDADMM Cc1oc(C(=O)[O-])cc1CN1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001608037020 1164389995 /nfs/dbraw/zinc/38/99/95/1164389995.db2.gz NDHTYTQEPHZLSN-GXSJLCMTSA-N -1 1 294.307 1.217 20 0 CDADMM Cn1nc(C(=O)[O-])cc1NC(=O)Cc1n[nH]c2ccccc12 ZINC001608143413 1164423178 /nfs/dbraw/zinc/42/31/78/1164423178.db2.gz SJWCYNPHPNHXLZ-UHFFFAOYSA-N -1 1 299.290 1.176 20 0 CDADMM Cn1cnn(CN2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)c1=S ZINC001608137650 1164423920 /nfs/dbraw/zinc/42/39/20/1164423920.db2.gz RWCNKZLREKCOGW-ZWNOBZJWSA-N -1 1 296.396 1.485 20 0 CDADMM NCc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])co1 ZINC001608257422 1164471938 /nfs/dbraw/zinc/47/19/38/1164471938.db2.gz MAKCRSFNWLXZBR-CYBMUJFWSA-N -1 1 288.303 1.164 20 0 CDADMM Nc1ccnc(CN2CC[C@@](C(=O)[O-])(c3ccccc3)C2)n1 ZINC001608274255 1164476579 /nfs/dbraw/zinc/47/65/79/1164476579.db2.gz WCSMNTDUSMJUHS-INIZCTEOSA-N -1 1 298.346 1.287 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)c3ccc(=O)[nH]c3)[nH]c21 ZINC001608524831 1164532163 /nfs/dbraw/zinc/53/21/63/1164532163.db2.gz WFGDTFMMWIAOHU-UHFFFAOYSA-N -1 1 298.258 1.614 20 0 CDADMM O=C([O-])C1=NO[C@]2(CCN(Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001608590097 1164560418 /nfs/dbraw/zinc/56/04/18/1164560418.db2.gz WLLQQSQPPXUTNB-MRXNPFEDSA-N -1 1 299.330 1.973 20 0 CDADMM O=C([O-])[C@H]1CCC[C@H]1NCc1nc(-c2ccco2)no1 ZINC001608625444 1164580540 /nfs/dbraw/zinc/58/05/40/1164580540.db2.gz WCBUHMGHLVIFDF-DTWKUNHWSA-N -1 1 277.280 1.673 20 0 CDADMM Cn1cc(C[N@@H+](C)CCc2cccs2)c(C(=O)[O-])n1 ZINC000864781843 1164583083 /nfs/dbraw/zinc/58/30/83/1164583083.db2.gz OHFDFGCEADQAOP-UHFFFAOYSA-N -1 1 279.365 1.854 20 0 CDADMM O=C([O-])CC1([NH2+]CCC[N-]C(=O)C(F)(F)F)CCCC1 ZINC001608687543 1164604542 /nfs/dbraw/zinc/60/45/42/1164604542.db2.gz WVBQQCNHOOKIMG-UHFFFAOYSA-N -1 1 296.289 1.432 20 0 CDADMM COC(=O)c1coc(/C=C/C(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000865080780 1164608575 /nfs/dbraw/zinc/60/85/75/1164608575.db2.gz WEVDYBJFVNIHPQ-GFUIURDCSA-N -1 1 295.291 1.654 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(C2CC2)c1 ZINC001608823815 1164652437 /nfs/dbraw/zinc/65/24/37/1164652437.db2.gz SXQZBWRYSCZKEW-ZIAGYGMSSA-N -1 1 261.321 1.584 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](O)CN1Cc1cccc(C2CC2)c1 ZINC001608823815 1164652443 /nfs/dbraw/zinc/65/24/43/1164652443.db2.gz SXQZBWRYSCZKEW-ZIAGYGMSSA-N -1 1 261.321 1.584 20 0 CDADMM O=C([O-])c1ccnc(NCc2n[nH]c(-c3ccccc3)n2)n1 ZINC001608953726 1164694551 /nfs/dbraw/zinc/69/45/51/1164694551.db2.gz KGHSUOVXGZJNMC-UHFFFAOYSA-N -1 1 296.290 1.572 20 0 CDADMM O=C([O-])c1ccnc(NCc2nc(-c3ccccc3)n[nH]2)n1 ZINC001608953726 1164694556 /nfs/dbraw/zinc/69/45/56/1164694556.db2.gz KGHSUOVXGZJNMC-UHFFFAOYSA-N -1 1 296.290 1.572 20 0 CDADMM O=C([O-])c1cnc(CN[C@H]2C[C@@H](O)C23CCC3)s1 ZINC001608972104 1164699551 /nfs/dbraw/zinc/69/95/51/1164699551.db2.gz LKZRBQJBTJASCM-DTWKUNHWSA-N -1 1 268.338 1.234 20 0 CDADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)[C@H](O)c1ccccc1 ZINC001609126985 1164782096 /nfs/dbraw/zinc/78/20/96/1164782096.db2.gz QMGRVJHFCNCFGG-HZMBPMFUSA-N -1 1 296.334 1.796 20 0 CDADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)[C@H](O)c1ccccc1 ZINC001609126985 1164782103 /nfs/dbraw/zinc/78/21/03/1164782103.db2.gz QMGRVJHFCNCFGG-HZMBPMFUSA-N -1 1 296.334 1.796 20 0 CDADMM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609172120 1164813629 /nfs/dbraw/zinc/81/36/29/1164813629.db2.gz OIWDDMXFIRWOFP-KXUCPTDWSA-N -1 1 286.339 1.378 20 0 CDADMM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609172120 1164813635 /nfs/dbraw/zinc/81/36/35/1164813635.db2.gz OIWDDMXFIRWOFP-KXUCPTDWSA-N -1 1 286.339 1.378 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H](C)[C@H]1C ZINC001609172195 1164814580 /nfs/dbraw/zinc/81/45/80/1164814580.db2.gz POXVTQRJWSJYMK-UTLUCORTSA-N -1 1 286.339 1.378 20 0 CDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H](C)[C@H]1C ZINC001609172195 1164814585 /nfs/dbraw/zinc/81/45/85/1164814585.db2.gz POXVTQRJWSJYMK-UTLUCORTSA-N -1 1 286.339 1.378 20 0 CDADMM C[C@@H]1COCC[C@H]1Nc1cccnc1-c1nn[n-]n1 ZINC001609177418 1164819331 /nfs/dbraw/zinc/81/93/31/1164819331.db2.gz VUYXYVAFZXCXOK-RKDXNWHRSA-N -1 1 260.301 1.099 20 0 CDADMM C[C@@H]1COCC[C@H]1Nc1cccnc1-c1nnn[n-]1 ZINC001609177418 1164819323 /nfs/dbraw/zinc/81/93/23/1164819323.db2.gz VUYXYVAFZXCXOK-RKDXNWHRSA-N -1 1 260.301 1.099 20 0 CDADMM C[C@H]1Oc2ccccc2[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001609178810 1164820415 /nfs/dbraw/zinc/82/04/15/1164820415.db2.gz FFGDVWDCTFSGHC-AMIZOPFISA-N -1 1 295.306 1.591 20 0 CDADMM C[C@H]1Oc2ccccc2[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001609178810 1164820421 /nfs/dbraw/zinc/82/04/21/1164820421.db2.gz FFGDVWDCTFSGHC-AMIZOPFISA-N -1 1 295.306 1.591 20 0 CDADMM Cc1cc(NCCC[C@H](C)O)cc(-c2nnn[n-]2)n1 ZINC001609409278 1164934936 /nfs/dbraw/zinc/93/49/36/1164934936.db2.gz FQLJNSNJZOMEBJ-VIFPVBQESA-N -1 1 262.317 1.143 20 0 CDADMM Cc1cc(NCCC[C@H](C)O)cc(-c2nn[n-]n2)n1 ZINC001609409278 1164934938 /nfs/dbraw/zinc/93/49/38/1164934938.db2.gz FQLJNSNJZOMEBJ-VIFPVBQESA-N -1 1 262.317 1.143 20 0 CDADMM Cc1cc(NCCc2ccncc2)cc(-c2nnn[n-]2)n1 ZINC001609410586 1164937575 /nfs/dbraw/zinc/93/75/75/1164937575.db2.gz LUNQXZCVFRRSLA-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1cc(NCCc2ccncc2)cc(-c2nn[n-]n2)n1 ZINC001609410586 1164937580 /nfs/dbraw/zinc/93/75/80/1164937580.db2.gz LUNQXZCVFRRSLA-UHFFFAOYSA-N -1 1 281.323 1.620 20 0 CDADMM Cc1ccccc1CCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609436248 1164945578 /nfs/dbraw/zinc/94/55/78/1164945578.db2.gz GWDIGDGEFLUMQF-UHFFFAOYSA-N -1 1 297.318 1.741 20 0 CDADMM Cc1ccccc1CCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609436248 1164945583 /nfs/dbraw/zinc/94/55/83/1164945583.db2.gz GWDIGDGEFLUMQF-UHFFFAOYSA-N -1 1 297.318 1.741 20 0 CDADMM Cc1nnc(CNc2snc(C)c2-c2nn[n-]n2)s1 ZINC001609461200 1164958862 /nfs/dbraw/zinc/95/88/62/1164958862.db2.gz RNEBOTGXWARQOI-UHFFFAOYSA-N -1 1 294.369 1.404 20 0 CDADMM Cc1nsc(NC(=O)N2CC(C)(C)C2)c1-c1nnn[n-]1 ZINC001609464789 1164961234 /nfs/dbraw/zinc/96/12/34/1164961234.db2.gz HBRBKQFHHOVMMU-UHFFFAOYSA-N -1 1 293.356 1.505 20 0 CDADMM Cc1nsc(NC(=O)N2CC(C)(C)C2)c1-c1nn[n-]n1 ZINC001609464789 1164961248 /nfs/dbraw/zinc/96/12/48/1164961248.db2.gz HBRBKQFHHOVMMU-UHFFFAOYSA-N -1 1 293.356 1.505 20 0 CDADMM FC1(F)CCC[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001609486347 1164969782 /nfs/dbraw/zinc/96/97/82/1164969782.db2.gz LQXNBIDJWQGZRP-SECBINFHSA-N -1 1 280.282 1.673 20 0 CDADMM FC1(F)CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001609486347 1164969786 /nfs/dbraw/zinc/96/97/86/1164969786.db2.gz LQXNBIDJWQGZRP-SECBINFHSA-N -1 1 280.282 1.673 20 0 CDADMM O=C(Nc1ccccc1O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609568683 1164991311 /nfs/dbraw/zinc/99/13/11/1164991311.db2.gz KIZBHBGVDOVDQF-UHFFFAOYSA-N -1 1 282.263 1.220 20 0 CDADMM O=C(Nc1ccccc1O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609568683 1164991318 /nfs/dbraw/zinc/99/13/18/1164991318.db2.gz KIZBHBGVDOVDQF-UHFFFAOYSA-N -1 1 282.263 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CDADMM Cc1n[nH]cc1CN(C)C(=O)c1ccc(F)c([O-])c1 ZINC001638760327 1166871432 /nfs/dbraw/zinc/87/14/32/1166871432.db2.gz WFKZLVYHVGVKDK-UHFFFAOYSA-N -1 1 263.272 1.835 20 0 CDADMM O=C(NCc1ccc[nH]1)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155269370 1167111096 /nfs/dbraw/zinc/11/10/96/1167111096.db2.gz BWXMCUCTWPWZGD-UHFFFAOYSA-N -1 1 256.265 1.527 20 0 CDADMM CC[C@H](C)[C@H](Nc1cc(Cl)[n-]c(=O)n1)C(N)=O ZINC001643178075 1167233309 /nfs/dbraw/zinc/23/33/09/1167233309.db2.gz ZFAJOUMOMCEQDX-XNCJUZBTSA-N -1 1 258.709 1.148 20 0 CDADMM O=C(COC(=O)[C@H]1CCCSC1)c1ccc([O-])cc1O ZINC001645791642 1167508332 /nfs/dbraw/zinc/50/83/32/1167508332.db2.gz COPOCUZKAQDNRW-VIFPVBQESA-N -1 1 296.344 1.967 20 0 CDADMM COCCc1noc(CN(CCC(=O)[O-])CC(C)C)n1 ZINC001645904418 1167562153 /nfs/dbraw/zinc/56/21/53/1167562153.db2.gz TWLDBYIWHHNOOI-UHFFFAOYSA-N -1 1 285.344 1.191 20 0 CDADMM Cc1onc(OC(F)F)c1[N-]C(=O)c1nccnc1C ZINC001646016431 1167611377 /nfs/dbraw/zinc/61/13/77/1167611377.db2.gz CJNMBXFHVBZMAL-UHFFFAOYSA-N -1 1 284.222 1.935 20 0 CDADMM CC(C)c1nc(CN[C@@]2(CC(=O)[O-])CCOC2)cs1 ZINC001646228544 1167708319 /nfs/dbraw/zinc/70/83/19/1167708319.db2.gz WKVOKQSDOOLRLG-CYBMUJFWSA-N -1 1 284.381 1.990 20 0 CDADMM Cn1ncnc1CN1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001647253160 1168493595 /nfs/dbraw/zinc/49/35/95/1168493595.db2.gz JQUISLWANLREJS-OAHLLOKOSA-N -1 1 286.335 1.043 20 0 CDADMM O=C(NCc1ccncn1)c1ncc2ccccc2c1[O-] ZINC001568693550 1169434028 /nfs/dbraw/zinc/43/40/28/1169434028.db2.gz PQRGDIBHOYILHO-UHFFFAOYSA-N -1 1 280.287 1.660 20 0 CDADMM COC(=O)c1cnoc1CN1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC001573947294 1170836023 /nfs/dbraw/zinc/83/60/23/1170836023.db2.gz BKCDJPHVEBLFRD-KWPJZBAWSA-N -1 1 294.307 1.289 20 0 CDADMM Cc1cc(CCC(=O)N(CCC(=O)[O-])C(C)C)n[nH]1 ZINC001574135187 1170893025 /nfs/dbraw/zinc/89/30/25/1170893025.db2.gz QPLXNLGOXMFRBM-UHFFFAOYSA-N -1 1 267.329 1.362 20 0 CDADMM O=C([O-])[C@@H]1C[C@H]1CN1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC001574435873 1170981090 /nfs/dbraw/zinc/98/10/90/1170981090.db2.gz 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1172624162 /nfs/dbraw/zinc/62/41/62/1172624162.db2.gz ZTOXRHAPYCNAEM-UKRRQHHQSA-N -1 1 296.309 1.733 20 0 CDADMM F[C@@]1(c2ccccc2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001581851506 1172624166 /nfs/dbraw/zinc/62/41/66/1172624166.db2.gz ZTOXRHAPYCNAEM-UKRRQHHQSA-N -1 1 296.309 1.733 20 0 CDADMM O=c1[nH]c2cccc(CNc3n[nH]cc3-c3nnn[n-]3)c2o1 ZINC001582805017 1172691620 /nfs/dbraw/zinc/69/16/20/1172691620.db2.gz VXJNQUOYPPSEMU-UHFFFAOYSA-N -1 1 298.266 1.049 20 0 CDADMM O=c1[nH]c2cccc(CNc3n[nH]cc3-c3nn[n-]n3)c2o1 ZINC001582805017 1172691625 /nfs/dbraw/zinc/69/16/25/1172691625.db2.gz VXJNQUOYPPSEMU-UHFFFAOYSA-N -1 1 298.266 1.049 20 0 CDADMM C1=C[C@@H]2C[C@H]1C[C@@H]2COc1cnc(-c2nn[n-]n2)nc1 ZINC001588386842 1173058499 /nfs/dbraw/zinc/05/84/99/1173058499.db2.gz QEQXWRIIGLPVQN-IVZWLZJFSA-N -1 1 270.296 1.248 20 0 CDADMM CC(=CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1ccccc1 ZINC001588769791 1173104737 /nfs/dbraw/zinc/10/47/37/1173104737.db2.gz XXSWHSVNHCMBSK-VQHVLOKHSA-N -1 1 295.306 1.632 20 0 CDADMM CC(=O)[C@H](C)OC(=O)c1ccsc1-c1nnn[n-]1 ZINC001588787762 1173106717 /nfs/dbraw/zinc/10/67/17/1173106717.db2.gz YQJDZYAZRADEQM-LURJTMIESA-N -1 1 266.282 1.063 20 0 CDADMM CC(=O)[C@H](C)OC(=O)c1ccsc1-c1nn[n-]n1 ZINC001588787762 1173106720 /nfs/dbraw/zinc/10/67/20/1173106720.db2.gz YQJDZYAZRADEQM-LURJTMIESA-N -1 1 266.282 1.063 20 0 CDADMM C[C@@H](C(=O)Nc1ncc(-c2nnn[n-]2)s1)C1CCC1 ZINC001589025130 1173119759 /nfs/dbraw/zinc/11/97/59/1173119759.db2.gz LDXYQAMPKKCFSF-ZCFIWIBFSA-N -1 1 278.341 1.698 20 0 CDADMM C[C@@H](C(=O)Nc1ncc(-c2nn[n-]n2)s1)C1CCC1 ZINC001589025130 1173119765 /nfs/dbraw/zinc/11/97/65/1173119765.db2.gz LDXYQAMPKKCFSF-ZCFIWIBFSA-N -1 1 278.341 1.698 20 0 CDADMM CC(C)(C)CC(=O)NOCc1ccc(-c2nnn[n-]2)o1 ZINC001589116590 1173124721 /nfs/dbraw/zinc/12/47/21/1173124721.db2.gz XAQKRZLCQWBOQP-UHFFFAOYSA-N -1 1 279.300 1.444 20 0 CDADMM CC(C)(C)CC(=O)NOCc1ccc(-c2nn[n-]n2)o1 ZINC001589116590 1173124723 /nfs/dbraw/zinc/12/47/23/1173124723.db2.gz XAQKRZLCQWBOQP-UHFFFAOYSA-N -1 1 279.300 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273.344 1.672 20 0 CDADMM CC(C)[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001589507201 1173151812 /nfs/dbraw/zinc/15/18/12/1173151812.db2.gz DSIYGBLEYAIDMV-NSHDSACASA-N -1 1 273.344 1.672 20 0 CDADMM CC(C)C1(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001589493305 1173152201 /nfs/dbraw/zinc/15/22/01/1173152201.db2.gz DQKAACKOTIPGFS-UHFFFAOYSA-N -1 1 272.312 1.180 20 0 CDADMM CC(C)C1(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001589493305 1173152210 /nfs/dbraw/zinc/15/22/10/1173152210.db2.gz DQKAACKOTIPGFS-UHFFFAOYSA-N -1 1 272.312 1.180 20 0 CDADMM CC(C)[C@H]1CN(c2ccnc(-c3nnn[n-]3)c2)CCS1 ZINC001589517658 1173154634 /nfs/dbraw/zinc/15/46/34/1173154634.db2.gz MYGMNDMQHJPEFT-GFCCVEGCSA-N -1 1 290.396 1.840 20 0 CDADMM CC(C)[C@H]1CN(c2ccnc(-c3nn[n-]n3)c2)CCS1 ZINC001589517658 1173154637 /nfs/dbraw/zinc/15/46/37/1173154637.db2.gz MYGMNDMQHJPEFT-GFCCVEGCSA-N -1 1 290.396 1.840 20 0 CDADMM C[C@@H](CO)CSc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589882731 1173195693 /nfs/dbraw/zinc/19/56/93/1173195693.db2.gz RQBVAYQBXWYPKI-ZETCQYMHSA-N -1 1 292.368 1.255 20 0 CDADMM C[C@@H](CO)CSc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589882731 1173195698 /nfs/dbraw/zinc/19/56/98/1173195698.db2.gz RQBVAYQBXWYPKI-ZETCQYMHSA-N -1 1 292.368 1.255 20 0 CDADMM C[C@@H](Cc1cccnc1)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589901133 1173198642 /nfs/dbraw/zinc/19/86/42/1173198642.db2.gz IILJWUCJLNLCDI-VIFPVBQESA-N -1 1 298.306 1.216 20 0 CDADMM C[C@@H](Cc1cccnc1)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589901133 1173198645 /nfs/dbraw/zinc/19/86/45/1173198645.db2.gz IILJWUCJLNLCDI-VIFPVBQESA-N -1 1 298.306 1.216 20 0 CDADMM C[C@@H](N(C)c1cnc(-c2nnn[n-]2)cn1)C1(C)CC1 ZINC001589914376 1173202370 /nfs/dbraw/zinc/20/23/70/1173202370.db2.gz WBWKUFASDCPSKJ-MRVPVSSYSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@@H](N(C)c1cnc(-c2nn[n-]n2)cn1)C1(C)CC1 ZINC001589914376 1173202374 /nfs/dbraw/zinc/20/23/74/1173202374.db2.gz WBWKUFASDCPSKJ-MRVPVSSYSA-N -1 1 259.317 1.282 20 0 CDADMM C[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)C1(C)CC1 ZINC001589948497 1173209510 /nfs/dbraw/zinc/20/95/10/1173209510.db2.gz LHXLUXULFFRZPY-ZETCQYMHSA-N -1 1 261.285 1.378 20 0 CDADMM C[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)C1(C)CC1 ZINC001589948497 1173209516 /nfs/dbraw/zinc/20/95/16/1173209516.db2.gz LHXLUXULFFRZPY-ZETCQYMHSA-N -1 1 261.285 1.378 20 0 CDADMM C[C@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ccccn1 ZINC001589980935 1173222675 /nfs/dbraw/zinc/22/26/75/1173222675.db2.gz QODCWFGSDQLORI-QMMMGPOBSA-N -1 1 268.284 1.225 20 0 CDADMM C[C@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ccccn1 ZINC001589980935 1173222680 /nfs/dbraw/zinc/22/26/80/1173222680.db2.gz QODCWFGSDQLORI-QMMMGPOBSA-N -1 1 268.284 1.225 20 0 CDADMM C[C@@H](O)C[C@H]1CCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001589997180 1173227866 /nfs/dbraw/zinc/22/78/66/1173227866.db2.gz MFEODKJYXUPASA-NXEZZACHSA-N -1 1 274.328 1.001 20 0 CDADMM C[C@@H](O)C[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001589997180 1173227874 /nfs/dbraw/zinc/22/78/74/1173227874.db2.gz MFEODKJYXUPASA-NXEZZACHSA-N -1 1 274.328 1.001 20 0 CDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)o1)C(=O)C(C)(C)C ZINC001590010311 1173234555 /nfs/dbraw/zinc/23/45/55/1173234555.db2.gz OUFGFRPRLABBBG-ZETCQYMHSA-N -1 1 292.295 1.620 20 0 CDADMM CC1(C)C[C@H](Nc2cccnc2-c2nnn[n-]2)CCO1 ZINC001590083656 1173248195 /nfs/dbraw/zinc/24/81/95/1173248195.db2.gz IHOQWKXPHNYKDH-SECBINFHSA-N -1 1 274.328 1.631 20 0 CDADMM CC1(C)C[C@H](Nc2cccnc2-c2nn[n-]n2)CCO1 ZINC001590083656 1173248200 /nfs/dbraw/zinc/24/82/00/1173248200.db2.gz IHOQWKXPHNYKDH-SECBINFHSA-N -1 1 274.328 1.631 20 0 CDADMM C[C@@H]1C[C@@H](C)N1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001590192308 1173286383 /nfs/dbraw/zinc/28/63/83/1173286383.db2.gz UXGMZSOSTCZOSN-RFZPGFLSSA-N -1 1 270.749 1.964 20 0 CDADMM C[C@@H]1C[C@@H](C)N1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590192308 1173286389 /nfs/dbraw/zinc/28/63/89/1173286389.db2.gz UXGMZSOSTCZOSN-RFZPGFLSSA-N -1 1 270.749 1.964 20 0 CDADMM C[C@@H]1C[C@@H](Nc2cccnc2-c2nnn[n-]2)CCO1 ZINC001590208552 1173293425 /nfs/dbraw/zinc/29/34/25/1173293425.db2.gz NYDQQDDZVISYMU-BDAKNGLRSA-N -1 1 260.301 1.241 20 0 CDADMM C[C@@H]1C[C@@H](Nc2cccnc2-c2nn[n-]n2)CCO1 ZINC001590208552 1173293429 /nfs/dbraw/zinc/29/34/29/1173293429.db2.gz NYDQQDDZVISYMU-BDAKNGLRSA-N -1 1 260.301 1.241 20 0 CDADMM C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccc(-c2nnn[n-]2)o1 ZINC001590226684 1173303380 /nfs/dbraw/zinc/30/33/80/1173303380.db2.gz RTOQUVIJYAKWGC-IUCAKERBSA-N -1 1 291.311 1.145 20 0 CDADMM C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1ccc(-c2nn[n-]n2)o1 ZINC001590226684 1173303397 /nfs/dbraw/zinc/30/33/97/1173303397.db2.gz RTOQUVIJYAKWGC-IUCAKERBSA-N -1 1 291.311 1.145 20 0 CDADMM C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccc(-c2nn[n-]n2)o1 ZINC001590226684 1173303403 /nfs/dbraw/zinc/30/34/03/1173303403.db2.gz RTOQUVIJYAKWGC-IUCAKERBSA-N -1 1 291.311 1.145 20 0 CDADMM C[C@@H]1CC[C@@H](C(=O)OCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001590227219 1173305448 /nfs/dbraw/zinc/30/54/48/1173305448.db2.gz XSIHPSOGYLBDAM-HTQZYQBOSA-N -1 1 293.352 1.803 20 0 CDADMM C[C@@H]1CC[C@@H](C(=O)OCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001590227219 1173305454 /nfs/dbraw/zinc/30/54/54/1173305454.db2.gz XSIHPSOGYLBDAM-HTQZYQBOSA-N -1 1 293.352 1.803 20 0 CDADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)c2ccccc21 ZINC001590317447 1173354480 /nfs/dbraw/zinc/35/44/80/1173354480.db2.gz ZKZVPTMNDZSEHL-SECBINFHSA-N -1 1 279.307 1.912 20 0 CDADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)c2ccccc21 ZINC001590317447 1173354489 /nfs/dbraw/zinc/35/44/89/1173354489.db2.gz ZKZVPTMNDZSEHL-SECBINFHSA-N -1 1 279.307 1.912 20 0 CDADMM C[C@@H]1N(Cc2nc(-c3nnn[n-]3)cs2)CCOC1(C)C ZINC001590330833 1173360092 /nfs/dbraw/zinc/36/00/92/1173360092.db2.gz FYIJPNOTSOUULK-QMMMGPOBSA-N -1 1 294.384 1.323 20 0 CDADMM C[C@@H]1N(Cc2nc(-c3nn[n-]n3)cs2)CCOC1(C)C ZINC001590330833 1173360099 /nfs/dbraw/zinc/36/00/99/1173360099.db2.gz FYIJPNOTSOUULK-QMMMGPOBSA-N -1 1 294.384 1.323 20 0 CDADMM C[C@@H]1Cc2cnccc2N1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590332606 1173362873 /nfs/dbraw/zinc/36/28/73/1173362873.db2.gz ZCBOJNBOVSUCKP-MRVPVSSYSA-N -1 1 296.290 1.446 20 0 CDADMM C[C@@H]1OCC[C@@H]1SCc1nc(-c2nnn[n-]2)cs1 ZINC001590339358 1173364059 /nfs/dbraw/zinc/36/40/59/1173364059.db2.gz WFHBSFIYYIINAF-XPUUQOCRSA-N -1 1 283.382 1.734 20 0 CDADMM C[C@@H]1OCC[C@@H]1SCc1nc(-c2nn[n-]n2)cs1 ZINC001590339358 1173364062 /nfs/dbraw/zinc/36/40/62/1173364062.db2.gz WFHBSFIYYIINAF-XPUUQOCRSA-N -1 1 283.382 1.734 20 0 CDADMM C/C=C\C[C@H](CO)Nc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001590350985 1173366662 /nfs/dbraw/zinc/36/66/62/1173366662.db2.gz CHGGCCQLFLVACX-UMBAGQNISA-N -1 1 274.328 1.309 20 0 CDADMM C/C=C\C[C@H](CO)Nc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001590350985 1173366668 /nfs/dbraw/zinc/36/66/68/1173366668.db2.gz CHGGCCQLFLVACX-UMBAGQNISA-N -1 1 274.328 1.309 20 0 CDADMM C/C=C(/C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590350172 1173368126 /nfs/dbraw/zinc/36/81/26/1173368126.db2.gz PJDCNGUEQMPPHZ-CLTKARDFSA-N -1 1 263.326 1.511 20 0 CDADMM CC[C@@H](C)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001590395829 1173387333 /nfs/dbraw/zinc/38/73/33/1173387333.db2.gz DSMHLGNGBQLFMG-RXMQYKEDSA-N -1 1 266.330 1.616 20 0 CDADMM CC[C@@H](C)C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590395829 1173387344 /nfs/dbraw/zinc/38/73/44/1173387344.db2.gz DSMHLGNGBQLFMG-RXMQYKEDSA-N -1 1 266.330 1.616 20 0 CDADMM CCC(=O)CCCOC(=O)c1sccc1-c1nn[n-]n1 ZINC001590360363 1173373138 /nfs/dbraw/zinc/37/31/38/1173373138.db2.gz WPURQPMBLJKTHS-UHFFFAOYSA-N -1 1 294.336 1.844 20 0 CDADMM CC[C@@H](C)n1nc(Nc2ncncc2-c2nn[n-]n2)cc1C ZINC001590417920 1173402940 /nfs/dbraw/zinc/40/29/40/1173402940.db2.gz DGLLPYNYSONRFJ-MRVPVSSYSA-N -1 1 299.342 1.876 20 0 CDADMM CC[C@H](F)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001590456758 1173415857 /nfs/dbraw/zinc/41/58/57/1173415857.db2.gz PVZLWJFAWTWWKN-ZETCQYMHSA-N -1 1 265.248 1.259 20 0 CDADMM CC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCCO1 ZINC001590473996 1173424324 /nfs/dbraw/zinc/42/43/24/1173424324.db2.gz VDMGECDSINCKAL-KOLCDFICSA-N -1 1 289.343 1.416 20 0 CDADMM CC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCCO1 ZINC001590473996 1173424327 /nfs/dbraw/zinc/42/43/27/1173424327.db2.gz VDMGECDSINCKAL-KOLCDFICSA-N -1 1 289.343 1.416 20 0 CDADMM CC[C@@]1(C)CCN(Cn2cccc(-c3nnn[n-]3)c2=O)C1 ZINC001590490273 1173432044 /nfs/dbraw/zinc/43/20/44/1173432044.db2.gz UXMUTCDJIICHGU-AWEZNQCLSA-N -1 1 288.355 1.108 20 0 CDADMM CCC1(CNc2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001590495252 1173434600 /nfs/dbraw/zinc/43/46/00/1173434600.db2.gz BSZAQHGPULDBEE-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM CCC1(CNc2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001590495252 1173434603 /nfs/dbraw/zinc/43/46/03/1173434603.db2.gz BSZAQHGPULDBEE-UHFFFAOYSA-N -1 1 289.343 1.275 20 0 CDADMM CC[C@@H]1CCN1S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001590516579 1173447004 /nfs/dbraw/zinc/44/70/04/1173447004.db2.gz HAZMZWRUNUVBNW-SSDOTTSWSA-N -1 1 299.381 1.101 20 0 CDADMM CC[C@H]1CN(c2nc(-c3nnn[n-]3)ccc2C)C[C@H](C)O1 ZINC001590524734 1173450905 /nfs/dbraw/zinc/45/09/05/1173450905.db2.gz RXXKRAMZWSOFNY-QWRGUYRKSA-N -1 1 288.355 1.574 20 0 CDADMM CC[C@H]1CN(c2nc(-c3nn[n-]n3)ccc2C)C[C@H](C)O1 ZINC001590524734 1173450909 /nfs/dbraw/zinc/45/09/09/1173450909.db2.gz RXXKRAMZWSOFNY-QWRGUYRKSA-N -1 1 288.355 1.574 20 0 CDADMM CCN(CCOC)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001590715694 1173495097 /nfs/dbraw/zinc/49/50/97/1173495097.db2.gz RCTMNSLYACCCAS-UHFFFAOYSA-N -1 1 288.764 1.449 20 0 CDADMM CCN(CC)C(=S)Sc1cnc(-c2nnn[n-]2)cn1 ZINC001590685078 1173488733 /nfs/dbraw/zinc/48/87/33/1173488733.db2.gz KLRTZLGDVLTBTA-UHFFFAOYSA-N -1 1 295.397 1.376 20 0 CDADMM CCN(CC)C(=S)Sc1cnc(-c2nn[n-]n2)cn1 ZINC001590685078 1173488742 /nfs/dbraw/zinc/48/87/42/1173488742.db2.gz KLRTZLGDVLTBTA-UHFFFAOYSA-N -1 1 295.397 1.376 20 0 CDADMM CCN(CC)c1nnc(-c2coc(-c3nnn[n-]3)c2)n1C ZINC001590689884 1173492768 /nfs/dbraw/zinc/49/27/68/1173492768.db2.gz AJYHXAJVNYIUFT-UHFFFAOYSA-N -1 1 288.315 1.101 20 0 CDADMM CCN(CC)c1nnc(-c2coc(-c3nn[n-]n3)c2)n1C ZINC001590689884 1173492774 /nfs/dbraw/zinc/49/27/74/1173492774.db2.gz AJYHXAJVNYIUFT-UHFFFAOYSA-N -1 1 288.315 1.101 20 0 CDADMM CCO[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001590795737 1173514278 /nfs/dbraw/zinc/51/42/78/1173514278.db2.gz ZDPIEZBCMHKBRH-VIFPVBQESA-N -1 1 291.311 1.101 20 0 CDADMM CCO[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590795737 1173514280 /nfs/dbraw/zinc/51/42/80/1173514280.db2.gz ZDPIEZBCMHKBRH-VIFPVBQESA-N -1 1 291.311 1.101 20 0 CDADMM CC[C@H](Nc1cncc(-c2nnn[n-]2)n1)c1ccccn1 ZINC001590868614 1173532969 /nfs/dbraw/zinc/53/29/69/1173532969.db2.gz DVSFRXLRDRYDBJ-VIFPVBQESA-N -1 1 282.311 1.615 20 0 CDADMM CC[C@H](Nc1cncc(-c2nn[n-]n2)n1)c1ccccn1 ZINC001590868614 1173532977 /nfs/dbraw/zinc/53/29/77/1173532977.db2.gz DVSFRXLRDRYDBJ-VIFPVBQESA-N -1 1 282.311 1.615 20 0 CDADMM CCc1ccc(CNc2n[nH]cc2-c2nnn[n-]2)s1 ZINC001590890039 1173537082 /nfs/dbraw/zinc/53/70/82/1173537082.db2.gz JOLQOBBTFQTWIT-UHFFFAOYSA-N -1 1 275.341 1.826 20 0 CDADMM CCc1ccc(CNc2n[nH]cc2-c2nn[n-]n2)s1 ZINC001590890039 1173537086 /nfs/dbraw/zinc/53/70/86/1173537086.db2.gz JOLQOBBTFQTWIT-UHFFFAOYSA-N -1 1 275.341 1.826 20 0 CDADMM CCc1ccccc1Cn1cncc(-c2nn[n-]n2)c1=O ZINC001590897777 1173537246 /nfs/dbraw/zinc/53/72/46/1173537246.db2.gz RBUNMRWEUUMEKM-UHFFFAOYSA-N -1 1 282.307 1.034 20 0 CDADMM CCc1cnc(Cn2c(C)c(C)nc2-c2nnn[n-]2)o1 ZINC001590901374 1173538610 /nfs/dbraw/zinc/53/86/10/1173538610.db2.gz HDPNBXWDYRUKIK-UHFFFAOYSA-N -1 1 273.300 1.279 20 0 CDADMM CCc1cnc(Cn2c(C)c(C)nc2-c2nn[n-]n2)o1 ZINC001590901374 1173538611 /nfs/dbraw/zinc/53/86/11/1173538611.db2.gz HDPNBXWDYRUKIK-UHFFFAOYSA-N -1 1 273.300 1.279 20 0 CDADMM CCc1ncc(CNc2nc(-c3nn[n-]n3)ccc2C)o1 ZINC001590924555 1173543006 /nfs/dbraw/zinc/54/30/06/1173543006.db2.gz GHWBILKHDKGMMV-UHFFFAOYSA-N -1 1 285.311 1.733 20 0 CDADMM CCc1nc(Oc2cncc(F)c2)cc(-c2nnn[n-]2)n1 ZINC001590925736 1173544400 /nfs/dbraw/zinc/54/44/00/1173544400.db2.gz UZCWBKMSMINUPS-UHFFFAOYSA-N -1 1 287.258 1.546 20 0 CDADMM CCc1nc(Oc2cncc(F)c2)cc(-c2nn[n-]n2)n1 ZINC001590925736 1173544403 /nfs/dbraw/zinc/54/44/03/1173544403.db2.gz UZCWBKMSMINUPS-UHFFFAOYSA-N -1 1 287.258 1.546 20 0 CDADMM COC(C)(C)COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591314475 1173602625 /nfs/dbraw/zinc/60/26/25/1173602625.db2.gz QQRFPVBBLYXSGV-UHFFFAOYSA-N -1 1 266.257 1.042 20 0 CDADMM CO[C@H](CNc1ncncc1-c1nn[n-]n1)CC(C)C ZINC001591334602 1173614895 /nfs/dbraw/zinc/61/48/95/1173614895.db2.gz KLLPLADFDYOIFW-VIFPVBQESA-N -1 1 277.332 1.130 20 0 CDADMM COC1(CNc2ncncc2-c2nn[n-]n2)CCCCC1 ZINC001591342268 1173620293 /nfs/dbraw/zinc/62/02/93/1173620293.db2.gz DEMZUNCDRWYLAV-UHFFFAOYSA-N -1 1 289.343 1.418 20 0 CDADMM CO[C@@H]1CCCN(c2cc(C)nc(-c3nnn[n-]3)c2)CC1 ZINC001591355510 1173624824 /nfs/dbraw/zinc/62/48/24/1173624824.db2.gz ZYDQKKGUEHBZQB-GFCCVEGCSA-N -1 1 288.355 1.575 20 0 CDADMM CO[C@@H]1CCCN(c2cc(C)nc(-c3nn[n-]n3)c2)CC1 ZINC001591355510 1173624828 /nfs/dbraw/zinc/62/48/28/1173624828.db2.gz ZYDQKKGUEHBZQB-GFCCVEGCSA-N -1 1 288.355 1.575 20 0 CDADMM CO[C@H]1CN(c2cc(C)cc(-c3nnn[n-]3)n2)CC[C@H]1C ZINC001591362652 1173631438 /nfs/dbraw/zinc/63/14/38/1173631438.db2.gz RHVCPDJQNSPHHA-PWSUYJOCSA-N -1 1 288.355 1.431 20 0 CDADMM CO[C@H]1CN(c2cc(C)cc(-c3nn[n-]n3)n2)CC[C@H]1C ZINC001591362652 1173631440 /nfs/dbraw/zinc/63/14/40/1173631440.db2.gz RHVCPDJQNSPHHA-PWSUYJOCSA-N -1 1 288.355 1.431 20 0 CDADMM COC[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ccccc1 ZINC001591383136 1173640146 /nfs/dbraw/zinc/64/01/46/1173640146.db2.gz WFDPPHVWJCTRNP-GFCCVEGCSA-N -1 1 297.322 1.456 20 0 CDADMM COC[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ccccc1 ZINC001591383136 1173640148 /nfs/dbraw/zinc/64/01/48/1173640148.db2.gz WFDPPHVWJCTRNP-GFCCVEGCSA-N -1 1 297.322 1.456 20 0 CDADMM COC[C@H](CNc1cccc(-c2nnn[n-]2)n1)C(C)C ZINC001591378797 1173640228 /nfs/dbraw/zinc/64/02/28/1173640228.db2.gz ZZRLIINMBCQBMX-JTQLQIEISA-N -1 1 276.344 1.592 20 0 CDADMM COC[C@H](CNc1cccc(-c2nn[n-]n2)n1)C(C)C ZINC001591378797 1173640236 /nfs/dbraw/zinc/64/02/36/1173640236.db2.gz ZZRLIINMBCQBMX-JTQLQIEISA-N -1 1 276.344 1.592 20 0 CDADMM CO[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001591475231 1173661982 /nfs/dbraw/zinc/66/19/82/1173661982.db2.gz VTBOBDWUZKJJAW-KYZUINATSA-N -1 1 287.327 1.123 20 0 CDADMM CO[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001591475231 1173661985 /nfs/dbraw/zinc/66/19/85/1173661985.db2.gz VTBOBDWUZKJJAW-KYZUINATSA-N -1 1 287.327 1.123 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC001591729396 1173691780 /nfs/dbraw/zinc/69/17/80/1173691780.db2.gz NWQPGZFFIUOESM-SECBINFHSA-N -1 1 283.291 1.951 20 0 CDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC001591729396 1173691784 /nfs/dbraw/zinc/69/17/84/1173691784.db2.gz NWQPGZFFIUOESM-SECBINFHSA-N -1 1 283.291 1.951 20 0 CDADMM CSc1ccc(Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001591714457 1173692168 /nfs/dbraw/zinc/69/21/68/1173692168.db2.gz MAMVMNFBODMSRW-UHFFFAOYSA-N -1 1 285.336 1.544 20 0 CDADMM Cc1cc(N(C)C[C@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001591996100 1173766866 /nfs/dbraw/zinc/76/68/66/1173766866.db2.gz WYMLRMLBUVODMQ-LLVKDONJSA-N -1 1 288.355 1.433 20 0 CDADMM Cc1cc(N(C)C[C@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001591996100 1173766870 /nfs/dbraw/zinc/76/68/70/1173766870.db2.gz WYMLRMLBUVODMQ-LLVKDONJSA-N -1 1 288.355 1.433 20 0 CDADMM Cc1cc(N2CCC[C@H]([C@@H](C)O)C2)cc(-c2nnn[n-]2)n1 ZINC001592005083 1173771757 /nfs/dbraw/zinc/77/17/57/1173771757.db2.gz RLAGVPYCGNAHKM-MNOVXSKESA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(N2CCC[C@H]([C@@H](C)O)C2)cc(-c2nn[n-]n2)n1 ZINC001592005083 1173771760 /nfs/dbraw/zinc/77/17/60/1173771760.db2.gz RLAGVPYCGNAHKM-MNOVXSKESA-N -1 1 288.355 1.167 20 0 CDADMM Cc1cc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)n[nH]1 ZINC001592032405 1173777598 /nfs/dbraw/zinc/77/75/98/1173777598.db2.gz ZNLUFRSYDTYMFJ-UHFFFAOYSA-N -1 1 287.258 1.290 20 0 CDADMM Cc1cc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)n[nH]1 ZINC001592032405 1173777600 /nfs/dbraw/zinc/77/76/00/1173777600.db2.gz ZNLUFRSYDTYMFJ-UHFFFAOYSA-N -1 1 287.258 1.290 20 0 CDADMM Cc1cc(Nc2ccnc(-c3nn[n-]n3)c2)ccc1N(C)C ZINC001592057121 1173789427 /nfs/dbraw/zinc/78/94/27/1173789427.db2.gz PGBBMVZSIKJANY-UHFFFAOYSA-N -1 1 295.350 1.802 20 0 CDADMM Cc1cc(OC(=O)c2cccc(-c3nnn[n-]3)n2)ccc1F ZINC001592058255 1173792096 /nfs/dbraw/zinc/79/20/96/1173792096.db2.gz LPHYVOMFSPEXTB-UHFFFAOYSA-N -1 1 299.265 1.928 20 0 CDADMM Cc1cc(OC(=O)c2cccc(-c3nn[n-]n3)n2)ccc1F ZINC001592058255 1173792100 /nfs/dbraw/zinc/79/21/00/1173792100.db2.gz LPHYVOMFSPEXTB-UHFFFAOYSA-N -1 1 299.265 1.928 20 0 CDADMM Cc1ccc(-c2nn[n-]n2)nc1N(C)CC1=CCSC1 ZINC001592110596 1173801060 /nfs/dbraw/zinc/80/10/60/1173801060.db2.gz QNJKXPBYKRARCD-UHFFFAOYSA-N -1 1 288.380 1.680 20 0 CDADMM Cc1ccc(CNC(=O)c2coc(-c3nnn[n-]3)c2)o1 ZINC001592164457 1173817678 /nfs/dbraw/zinc/81/76/78/1173817678.db2.gz QOPPTTRFISGHGD-UHFFFAOYSA-N -1 1 273.252 1.291 20 0 CDADMM Cc1ccc(CNC(=O)c2coc(-c3nn[n-]n3)c2)o1 ZINC001592164457 1173817683 /nfs/dbraw/zinc/81/76/83/1173817683.db2.gz QOPPTTRFISGHGD-UHFFFAOYSA-N -1 1 273.252 1.291 20 0 CDADMM Cc1ccc(Cn2cc(-c3nn[n-]n3)ccc2=O)c(C)n1 ZINC001592172134 1173821455 /nfs/dbraw/zinc/82/14/55/1173821455.db2.gz XOFHVISFDBQKOB-UHFFFAOYSA-N -1 1 282.307 1.089 20 0 CDADMM Cc1ccc(NC[C@]2(C)CCCCO2)nc1-c1nnn[n-]1 ZINC001592183100 1173826477 /nfs/dbraw/zinc/82/64/77/1173826477.db2.gz MAWKUKDIFMMYMH-AWEZNQCLSA-N -1 1 288.355 1.941 20 0 CDADMM Cc1ccc(NC[C@]2(C)CCCCO2)nc1-c1nn[n-]n1 ZINC001592183100 1173826480 /nfs/dbraw/zinc/82/64/80/1173826480.db2.gz MAWKUKDIFMMYMH-AWEZNQCLSA-N -1 1 288.355 1.941 20 0 CDADMM Cc1ccc(NCC[C@H]2CCCO2)c(-c2nnn[n-]2)n1 ZINC001592185656 1173830859 /nfs/dbraw/zinc/83/08/59/1173830859.db2.gz HGEAWTGKFAPGJA-SNVBAGLBSA-N -1 1 274.328 1.551 20 0 CDADMM Cc1ccc(NCC[C@H]2CCCO2)c(-c2nn[n-]n2)n1 ZINC001592185656 1173830862 /nfs/dbraw/zinc/83/08/62/1173830862.db2.gz HGEAWTGKFAPGJA-SNVBAGLBSA-N -1 1 274.328 1.551 20 0 CDADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](C3CCCC3)C2)n1 ZINC001592337160 1173859453 /nfs/dbraw/zinc/85/94/53/1173859453.db2.gz CXMBBJFATKLGOC-GFCCVEGCSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](C3CCCC3)C2)n1 ZINC001592337160 1173859458 /nfs/dbraw/zinc/85/94/58/1173859458.db2.gz CXMBBJFATKLGOC-GFCCVEGCSA-N -1 1 299.382 1.982 20 0 CDADMM Cc1nc(N[C@H](C)c2nccnc2C)cc(-c2nnn[n-]2)n1 ZINC001592380879 1173872808 /nfs/dbraw/zinc/87/28/08/1173872808.db2.gz QLKWXXXXLWIAOK-MRVPVSSYSA-N -1 1 297.326 1.237 20 0 CDADMM Cc1nc(N[C@H](C)c2nccnc2C)cc(-c2nn[n-]n2)n1 ZINC001592380879 1173872810 /nfs/dbraw/zinc/87/28/10/1173872810.db2.gz QLKWXXXXLWIAOK-MRVPVSSYSA-N -1 1 297.326 1.237 20 0 CDADMM Cc1noc(C)c1CNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001592392565 1173879021 /nfs/dbraw/zinc/87/90/21/1173879021.db2.gz MZCOEXMQEBBJQZ-UHFFFAOYSA-N -1 1 286.299 1.182 20 0 CDADMM Cc1noc(C)c1CNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001592392565 1173879030 /nfs/dbraw/zinc/87/90/30/1173879030.db2.gz MZCOEXMQEBBJQZ-UHFFFAOYSA-N -1 1 286.299 1.182 20 0 CDADMM Cc1nsc(N2CCSC(C)(C)C2)c1-c1nn[n-]n1 ZINC001592476327 1173899469 /nfs/dbraw/zinc/89/94/69/1173899469.db2.gz CQCWIAXHAOCAKB-UHFFFAOYSA-N -1 1 296.425 1.963 20 0 CDADMM Cc1nsc(N[C@H](C)C[C@H](C)O)c1-c1nn[n-]n1 ZINC001592482521 1173903202 /nfs/dbraw/zinc/90/32/02/1173903202.db2.gz OXHCAGPIMBXXAS-RITPCOANSA-N -1 1 268.346 1.203 20 0 CDADMM ClC1(Cl)C[C@H]1CCn1cnc(-c2nn[n-]n2)n1 ZINC001592524370 1173911669 /nfs/dbraw/zinc/91/16/69/1173911669.db2.gz QWKTYYXUWMOJFQ-RXMQYKEDSA-N -1 1 274.115 1.042 20 0 CDADMM FC1(F)CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001592628622 1173935361 /nfs/dbraw/zinc/93/53/61/1173935361.db2.gz VWTKGMXRPLOLDW-UHFFFAOYSA-N -1 1 281.270 1.282 20 0 CDADMM FC1(F)CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001592628622 1173935367 /nfs/dbraw/zinc/93/53/67/1173935367.db2.gz VWTKGMXRPLOLDW-UHFFFAOYSA-N -1 1 281.270 1.282 20 0 CDADMM FC1(F)CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001592630637 1173938013 /nfs/dbraw/zinc/93/80/13/1173938013.db2.gz QTBPUUYPNOGTNT-UHFFFAOYSA-N -1 1 295.297 1.894 20 0 CDADMM FC1(F)CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001592630637 1173938017 /nfs/dbraw/zinc/93/80/17/1173938017.db2.gz QTBPUUYPNOGTNT-UHFFFAOYSA-N -1 1 295.297 1.894 20 0 CDADMM Fc1cc(Oc2cc(-c3nnn[n-]3)ncn2)cnc1Cl ZINC001592644105 1173949708 /nfs/dbraw/zinc/94/97/08/1173949708.db2.gz PJPLRPDBJDGVFK-UHFFFAOYSA-N -1 1 293.649 1.637 20 0 CDADMM Fc1cc(Oc2cc(-c3nn[n-]n3)ncn2)cnc1Cl ZINC001592644105 1173949715 /nfs/dbraw/zinc/94/97/15/1173949715.db2.gz PJPLRPDBJDGVFK-UHFFFAOYSA-N -1 1 293.649 1.637 20 0 CDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(C2CC2)cc1 ZINC001592752973 1173984868 /nfs/dbraw/zinc/98/48/68/1173984868.db2.gz KOXYAJYAJMNBAQ-UHFFFAOYSA-N -1 1 295.306 1.211 20 0 CDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Oc1cccc(F)c1 ZINC001592915456 1174002696 /nfs/dbraw/zinc/00/26/96/1174002696.db2.gz WIEOZRJSALIYTD-UHFFFAOYSA-N -1 1 299.265 1.549 20 0 CDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Oc1cccc(F)c1 ZINC001592915456 1174002702 /nfs/dbraw/zinc/00/27/02/1174002702.db2.gz WIEOZRJSALIYTD-UHFFFAOYSA-N -1 1 299.265 1.549 20 0 CDADMM O=C(N[C@@H]1CC2CCC1CC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001592971137 1174009215 /nfs/dbraw/zinc/00/92/15/1174009215.db2.gz IUCDGJGBPSDGOT-RTYFJBAXSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(N[C@@H]1CC2CCC1CC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001592971137 1174009224 /nfs/dbraw/zinc/00/92/24/1174009224.db2.gz IUCDGJGBPSDGOT-RTYFJBAXSA-N -1 1 298.350 1.570 20 0 CDADMM O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)c1coc(-c2nnn[n-]2)c1 ZINC001592973140 1174010781 /nfs/dbraw/zinc/01/07/81/1174010781.db2.gz QXMUXCDPRNNJKR-UJNFCWOMSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)c1coc(-c2nn[n-]n2)c1 ZINC001592973140 1174010785 /nfs/dbraw/zinc/01/07/85/1174010785.db2.gz QXMUXCDPRNNJKR-UJNFCWOMSA-N -1 1 273.296 1.378 20 0 CDADMM O=C(NC1CCC=CCC1)c1coc(-c2nnn[n-]2)c1 ZINC001592973935 1174010793 /nfs/dbraw/zinc/01/07/93/1174010793.db2.gz LWFZTUDXHWAXAX-UHFFFAOYSA-N -1 1 273.296 1.688 20 0 CDADMM O=C(NC[C@@H]1CCCCS1)c1ccc(-c2nnn[n-]2)o1 ZINC001593033169 1174016277 /nfs/dbraw/zinc/01/62/77/1174016277.db2.gz IGDWIXMNLOGKJR-QMMMGPOBSA-N -1 1 293.352 1.475 20 0 CDADMM O=C(NC[C@@H]1CCCCS1)c1ccc(-c2nn[n-]n2)o1 ZINC001593033169 1174016283 /nfs/dbraw/zinc/01/62/83/1174016283.db2.gz IGDWIXMNLOGKJR-QMMMGPOBSA-N -1 1 293.352 1.475 20 0 CDADMM O=C([O-])[C@@H]1C=C[C@@H]([NH2+]Cc2csc(-c3nn[n-]n3)c2)C1 ZINC001593272540 1174046440 /nfs/dbraw/zinc/04/64/40/1174046440.db2.gz BXHMMPXCQXXMOD-RKDXNWHRSA-N -1 1 291.336 1.047 20 0 CDADMM O=C(O[C@H]1C=CCCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593282495 1174048107 /nfs/dbraw/zinc/04/81/07/1174048107.db2.gz XMPPVQIMURCJHG-JTQLQIEISA-N -1 1 271.280 1.527 20 0 CDADMM O=C(O[C@H]1C=CCCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593282495 1174048114 /nfs/dbraw/zinc/04/81/14/1174048114.db2.gz XMPPVQIMURCJHG-JTQLQIEISA-N -1 1 271.280 1.527 20 0 CDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001593301769 1174061002 /nfs/dbraw/zinc/06/10/02/1174061002.db2.gz DQCKISOIBNZZBY-URLYPYJESA-N -1 1 285.307 1.351 20 0 CDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001593301769 1174061007 /nfs/dbraw/zinc/06/10/07/1174061007.db2.gz DQCKISOIBNZZBY-URLYPYJESA-N -1 1 285.307 1.351 20 0 CDADMM O=C(Oc1cccc(F)c1-c1nnn[n-]1)O[C@@H]1CCOC1 ZINC001593309462 1174064410 /nfs/dbraw/zinc/06/44/10/1174064410.db2.gz HJFDMKGEOLTMPA-SSDOTTSWSA-N -1 1 294.242 1.310 20 0 CDADMM O=C(Oc1cccc(F)c1-c1nn[n-]n1)O[C@@H]1CCOC1 ZINC001593309462 1174064414 /nfs/dbraw/zinc/06/44/14/1174064414.db2.gz HJFDMKGEOLTMPA-SSDOTTSWSA-N -1 1 294.242 1.310 20 0 CDADMM O=c1c(-c2nn[n-]n2)c2c(cn1C[C@@H]1C[C@H]3C[C@H]3C1)CCC2 ZINC001593492493 1174088636 /nfs/dbraw/zinc/08/86/36/1174088636.db2.gz RMCYLENVTDIMSP-YHPBZONMSA-N -1 1 297.362 1.563 20 0 CDADMM OCC[C@H]1CCC[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC001593529763 1174105729 /nfs/dbraw/zinc/10/57/29/1174105729.db2.gz NIUINBOXWRJKKY-NXEZZACHSA-N -1 1 274.328 1.225 20 0 CDADMM OCC[C@H]1CCC[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC001593529763 1174105731 /nfs/dbraw/zinc/10/57/31/1174105731.db2.gz NIUINBOXWRJKKY-NXEZZACHSA-N -1 1 274.328 1.225 20 0 CDADMM c1cc([C@H]2CCCN2c2ccnc(-c3nnn[n-]3)c2)ccn1 ZINC001593552462 1174126344 /nfs/dbraw/zinc/12/63/44/1174126344.db2.gz YAFGEZFZIQCBOU-CQSZACIVSA-N -1 1 293.334 1.998 20 0 CDADMM c1cc([C@H]2CCCN2c2ccnc(-c3nn[n-]n3)c2)ccn1 ZINC001593552462 1174126351 /nfs/dbraw/zinc/12/63/51/1174126351.db2.gz YAFGEZFZIQCBOU-CQSZACIVSA-N -1 1 293.334 1.998 20 0 CDADMM c1ccc(C[C@@H]2C[C@H]2Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001593572094 1174141965 /nfs/dbraw/zinc/14/19/65/1174141965.db2.gz PBZPCDYLXYVVPP-VXGBXAGGSA-N -1 1 293.334 1.700 20 0 CDADMM c1ccc(C[C@@H]2C[C@H]2Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001593572094 1174141967 /nfs/dbraw/zinc/14/19/67/1174141967.db2.gz PBZPCDYLXYVVPP-VXGBXAGGSA-N -1 1 293.334 1.700 20 0 CDADMM c1ccc(C2(CNc3cccc(-c4nnn[n-]4)n3)CC2)nc1 ZINC001593571901 1174143078 /nfs/dbraw/zinc/14/30/78/1174143078.db2.gz YMHFWAVWHAMCNK-UHFFFAOYSA-N -1 1 293.334 1.800 20 0 CDADMM c1ccc(C2(CNc3cccc(-c4nn[n-]n4)n3)CC2)nc1 ZINC001593571901 1174143081 /nfs/dbraw/zinc/14/30/81/1174143081.db2.gz YMHFWAVWHAMCNK-UHFFFAOYSA-N -1 1 293.334 1.800 20 0 CDADMM c1cn(CCc2nc3ccccc3[nH]2)c(-c2nnn[n-]2)n1 ZINC001593578395 1174144712 /nfs/dbraw/zinc/14/47/12/1174144712.db2.gz XTTRORZTPXJTNW-UHFFFAOYSA-N -1 1 280.295 1.182 20 0 CDADMM c1cn(CCc2nc3ccccc3[nH]2)c(-c2nn[n-]n2)n1 ZINC001593578395 1174144715 /nfs/dbraw/zinc/14/47/15/1174144715.db2.gz XTTRORZTPXJTNW-UHFFFAOYSA-N -1 1 280.295 1.182 20 0 CDADMM c1ccc2c(c1)C[C@H](CNc1ncncc1-c1nn[n-]n1)O2 ZINC001593581927 1174147580 /nfs/dbraw/zinc/14/75/80/1174147580.db2.gz YLZIEOUZZOJULR-SNVBAGLBSA-N -1 1 295.306 1.072 20 0 CDADMM c1ccc2c(c1)CC(Nc1ncncc1-c1nn[n-]n1)C2 ZINC001593581931 1174148816 /nfs/dbraw/zinc/14/88/16/1174148816.db2.gz YRNMAPPOHXEPHW-UHFFFAOYSA-N -1 1 279.307 1.236 20 0 CDADMM c1cc(-c2nn[n-]n2)sc1CN1CCc2nccnc2C1 ZINC001593588375 1174154924 /nfs/dbraw/zinc/15/49/24/1174154924.db2.gz WMEGZNFLEHYBMP-UHFFFAOYSA-N -1 1 299.363 1.277 20 0 CDADMM c1coc([C@@H]2C[C@H]2Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001593588816 1174156230 /nfs/dbraw/zinc/15/62/30/1174156230.db2.gz HNNJPTUFTHUWEA-VXNVDRBHSA-N -1 1 269.268 1.218 20 0 CDADMM c1coc([C@@H]2C[C@H]2Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001593588816 1174156233 /nfs/dbraw/zinc/15/62/33/1174156233.db2.gz HNNJPTUFTHUWEA-VXNVDRBHSA-N -1 1 269.268 1.218 20 0 CDADMM c1nc(-c2nn[n-]n2)nn1C[C@@H]1CC2CCC1CC2 ZINC001593590294 1174156942 /nfs/dbraw/zinc/15/69/42/1174156942.db2.gz NMHWCKKFKKHTCK-RTBKNWGFSA-N -1 1 259.317 1.285 20 0 CDADMM Cn1cc(NC(=O)c2ccc(F)c([O-])c2)ccc1=O ZINC001597070416 1174256787 /nfs/dbraw/zinc/25/67/87/1174256787.db2.gz INOICBUFTKXNJA-UHFFFAOYSA-N -1 1 262.240 1.482 20 0 CDADMM Cc1ccc(CN2CCc3n[nH]c(=O)cc3C2)cc1C(=O)[O-] ZINC001600415693 1174469384 /nfs/dbraw/zinc/46/93/84/1174469384.db2.gz IHNQFMWIEDGKMJ-UHFFFAOYSA-N -1 1 299.330 1.747 20 0 CDADMM Cc1ccc(NC(=O)CN(C)C[C@@H](C)C(=O)[O-])c(F)c1 ZINC001600447001 1174478829 /nfs/dbraw/zinc/47/88/29/1174478829.db2.gz GXGLQKRDUBYNAD-SNVBAGLBSA-N -1 1 282.315 1.725 20 0 CDADMM Cc1ccc2[nH]ncc2c1C(=O)O[C@@H](C)C(=O)C(=O)[O-] ZINC001600490321 1174489158 /nfs/dbraw/zinc/48/91/58/1174489158.db2.gz OXBRTOSINDLFRW-ZETCQYMHSA-N -1 1 276.248 1.070 20 0 CDADMM Cc1cnn([C@@H]2CCN(Cc3ccc(C(=O)[O-])o3)C2)c1 ZINC001600637346 1174545397 /nfs/dbraw/zinc/54/53/97/1174545397.db2.gz RHAMDLCLGLQPMH-LLVKDONJSA-N -1 1 275.308 1.930 20 0 CDADMM Cc1oc(C[N@@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001600845937 1174639256 /nfs/dbraw/zinc/63/92/56/1174639256.db2.gz SBFUJRJYGWKAIE-PRHODGIISA-N -1 1 281.308 1.829 20 0 CDADMM Cc1sccc1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001600891892 1174654235 /nfs/dbraw/zinc/65/42/35/1174654235.db2.gz SEAFGPXBYSCGBL-SNVBAGLBSA-N -1 1 279.321 1.205 20 0 CDADMM Cn1cc(CN2CCCC[C@H]2C2OCCO2)cc1C(=O)[O-] ZINC001600951277 1174674106 /nfs/dbraw/zinc/67/41/06/1174674106.db2.gz GXTGZPJAKPBNBA-LBPRGKRZSA-N -1 1 294.351 1.451 20 0 CDADMM Cn1cnc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c1 ZINC001600986699 1174692743 /nfs/dbraw/zinc/69/27/43/1174692743.db2.gz FVVVODSCCFREAN-UHFFFAOYSA-N -1 1 285.263 1.247 20 0 CDADMM Cn1cncc1CN[C@@](C)(CC(=O)[O-])c1cccnc1 ZINC001600994351 1174696127 /nfs/dbraw/zinc/69/61/27/1174696127.db2.gz PWLRJEOIPAFRGG-AWEZNQCLSA-N -1 1 274.324 1.295 20 0 CDADMM O=C([O-])C1=NOC2(C1)CCN(Cc1cccc(F)n1)CC2 ZINC001601746693 1174980618 /nfs/dbraw/zinc/98/06/18/1174980618.db2.gz MVOFYOPAUHTJPP-UHFFFAOYSA-N -1 1 293.298 1.416 20 0 CDADMM O=C([O-])C[C@@H](CNS(=O)(=O)c1ccccc1O)C1CC1 ZINC001601896148 1175056177 /nfs/dbraw/zinc/05/61/77/1175056177.db2.gz BVSRAZLDLHWLJI-JTQLQIEISA-N -1 1 299.348 1.171 20 0 CDADMM O=C([O-])CC1(NCc2nccn2CC(F)F)CC1 ZINC001601938038 1175074613 /nfs/dbraw/zinc/07/46/13/1175074613.db2.gz SCMOVYUKZACMLO-UHFFFAOYSA-N -1 1 259.256 1.245 20 0 CDADMM O=C([O-])C[C@]1(NCc2ncccc2Cl)CCOC1 ZINC001601937598 1175075198 /nfs/dbraw/zinc/07/51/98/1175075198.db2.gz VTVKWILFWOBPHL-GFCCVEGCSA-N -1 1 270.716 1.458 20 0 CDADMM O=C([O-])Cc1c[nH]n(Cc2cnc3ccccc3c2)c1=O ZINC001601942386 1175077234 /nfs/dbraw/zinc/07/72/34/1175077234.db2.gz ZREACAGXWJMBNY-LBPRGKRZSA-N -1 1 283.287 1.654 20 0 CDADMM O=C([O-])CC1CC(NC(=O)[C@@H]2Cc3ccccc3CN2)C1 ZINC001601941993 1175077336 /nfs/dbraw/zinc/07/73/36/1175077336.db2.gz DPTBEWUROPGZGZ-DBRPNBKGSA-N -1 1 288.347 1.070 20 0 CDADMM O=C([O-])CCNC(=O)CN1CCC[C@H]1c1ccc(O)cc1 ZINC001602021999 1175112635 /nfs/dbraw/zinc/11/26/35/1175112635.db2.gz OHVZIDMUFXXOIF-ZDUSSCGKSA-N -1 1 292.335 1.120 20 0 CDADMM O=C([O-])[C@]12CCC[C@H]1C[N@@H+](Cc1cn(C3CC3)nn1)C2 ZINC001602222232 1175173559 /nfs/dbraw/zinc/17/35/59/1175173559.db2.gz LXZRPXXOTAHDKD-HZMBPMFUSA-N -1 1 276.340 1.300 20 0 CDADMM O=C([O-])[C@]12CCC[C@H]1CN(Cc1cn(C3CC3)nn1)C2 ZINC001602222232 1175173562 /nfs/dbraw/zinc/17/35/62/1175173562.db2.gz LXZRPXXOTAHDKD-HZMBPMFUSA-N -1 1 276.340 1.300 20 0 CDADMM O=C([O-])[C@H]1C[C@@H](O)CN1C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001602219812 1175173930 /nfs/dbraw/zinc/17/39/30/1175173930.db2.gz ZIHQQEWABKFGLC-LXTVHRRPSA-N -1 1 291.347 1.427 20 0 CDADMM O=C([O-])c1ccccc1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001602468660 1175249613 /nfs/dbraw/zinc/24/96/13/1175249613.db2.gz GLVREOQAYHULPN-UONOGXRCSA-N -1 1 289.331 1.927 20 0 CDADMM O=C([O-])c1ccoc1CN[C@]12C[C@H]1COC21CCC1 ZINC001602486153 1175259674 /nfs/dbraw/zinc/25/96/74/1175259674.db2.gz REYLCVHOZJKHML-LKFCYVNXSA-N -1 1 263.293 1.779 20 0 CDADMM O=C([O-])c1cn([C@@H]2CCN(Cc3ccoc3)C2)nn1 ZINC001602499157 1175261139 /nfs/dbraw/zinc/26/11/39/1175261139.db2.gz JVZHXMMWOCSHGX-SNVBAGLBSA-N -1 1 262.269 1.016 20 0 CDADMM O=C([O-])c1cnc(CN2CCC(c3c[nH]cn3)CC2)cn1 ZINC001602519406 1175265789 /nfs/dbraw/zinc/26/57/89/1175265789.db2.gz RTOSWOHNDZWAOE-UHFFFAOYSA-N -1 1 287.323 1.278 20 0 CDADMM O=C([O-])c1cncc(CN[C@@H](CCO)c2ccccc2)c1 ZINC001602539084 1175280077 /nfs/dbraw/zinc/28/00/77/1175280077.db2.gz LYOWYSNYAHFYRW-HNNXBMFYSA-N -1 1 286.331 1.993 20 0 CDADMM O=C([O-])c1coc(CN[C@H]2C[C@@H](O)C23CCC3)c1 ZINC001602555241 1175293899 /nfs/dbraw/zinc/29/38/99/1175293899.db2.gz HOYNDGLKSAQELD-WDEREUQCSA-N -1 1 251.282 1.371 20 0 CDADMM O=C([O-])c1cccc2nc(NC(=O)C3CC(=O)C3)[nH]c21 ZINC001602637487 1175332434 /nfs/dbraw/zinc/33/24/34/1175332434.db2.gz ZKTUCTUINWGIJX-UHFFFAOYSA-N -1 1 273.248 1.179 20 0 CDADMM C[C@@H](C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1)C(C)(C)C ZINC001603019658 1175478496 /nfs/dbraw/zinc/47/84/96/1175478496.db2.gz NAJAEEWQFUYXEN-VIFPVBQESA-N -1 1 289.339 1.959 20 0 CDADMM CC(C)(C)C(=O)OCSc1cccnc1-c1nnn[n-]1 ZINC001603059618 1175485406 /nfs/dbraw/zinc/48/54/06/1175485406.db2.gz CSZCPRSXLJUHAI-UHFFFAOYSA-N -1 1 293.352 1.901 20 0 CDADMM CC(C)(C)C(=O)OCSc1cccnc1-c1nn[n-]n1 ZINC001603059618 1175485411 /nfs/dbraw/zinc/48/54/11/1175485411.db2.gz CSZCPRSXLJUHAI-UHFFFAOYSA-N -1 1 293.352 1.901 20 0 CDADMM CC(C)(C)OC(=O)CSc1nccnc1-c1nn[n-]n1 ZINC001603087384 1175488836 /nfs/dbraw/zinc/48/88/36/1175488836.db2.gz YAFMVVMDCGSRQF-UHFFFAOYSA-N -1 1 294.340 1.091 20 0 CDADMM CC(C)C(C)(C)[S@](=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC001603206907 1175515908 /nfs/dbraw/zinc/51/59/08/1175515908.db2.gz SJIHXJLAASSPIQ-HXUWFJFHSA-N -1 1 293.396 1.945 20 0 CDADMM CC(C)C(C)(C)[S@](=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC001603206907 1175515913 /nfs/dbraw/zinc/51/59/13/1175515913.db2.gz SJIHXJLAASSPIQ-HXUWFJFHSA-N -1 1 293.396 1.945 20 0 CDADMM CC(C)C(CNc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001603222405 1175518127 /nfs/dbraw/zinc/51/81/27/1175518127.db2.gz BZOARINUKNUXDG-UHFFFAOYSA-N -1 1 275.360 1.997 20 0 CDADMM CC(C)C(CNc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001603222405 1175518130 /nfs/dbraw/zinc/51/81/30/1175518130.db2.gz BZOARINUKNUXDG-UHFFFAOYSA-N -1 1 275.360 1.997 20 0 CDADMM C[C@H](NC(=O)c1ccsc1-c1nnn[n-]1)C1CCC1 ZINC001603650053 1175585701 /nfs/dbraw/zinc/58/57/01/1175585701.db2.gz UGJPOTQFCJPDCS-ZETCQYMHSA-N -1 1 277.353 1.847 20 0 CDADMM C[C@H](NC(=O)c1ccsc1-c1nn[n-]n1)C1CCC1 ZINC001603650053 1175585708 /nfs/dbraw/zinc/58/57/08/1175585708.db2.gz UGJPOTQFCJPDCS-ZETCQYMHSA-N -1 1 277.353 1.847 20 0 CDADMM CC(C)(NC[C@H]1CCCCO1)c1cc(C(=O)[O-])on1 ZINC001603680526 1175596139 /nfs/dbraw/zinc/59/61/39/1175596139.db2.gz BEGUKJIKZRJUDK-SECBINFHSA-N -1 1 268.313 1.767 20 0 CDADMM CC(C)[C@]1(CO)CCC[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001603748273 1175614969 /nfs/dbraw/zinc/61/49/69/1175614969.db2.gz AVMYASAKAQQNDK-OAHLLOKOSA-N -1 1 280.368 1.943 20 0 CDADMM CC(C)CC[C@@H](CO)NCc1ncc(C(=O)[O-])s1 ZINC001603789688 1175632621 /nfs/dbraw/zinc/63/26/21/1175632621.db2.gz WHLNOSDFQRRJFW-VIFPVBQESA-N -1 1 272.370 1.728 20 0 CDADMM C[C@]1(COC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C[C@H]1F ZINC001603808731 1175640320 /nfs/dbraw/zinc/64/03/20/1175640320.db2.gz SUZRRPLKHOBJJG-ZWNOBZJWSA-N -1 1 291.286 1.096 20 0 CDADMM C[C@]1(COC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C[C@H]1F ZINC001603808731 1175640322 /nfs/dbraw/zinc/64/03/22/1175640322.db2.gz SUZRRPLKHOBJJG-ZWNOBZJWSA-N -1 1 291.286 1.096 20 0 CDADMM C[C@@]1(CNc2cc(-c3nnn[n-]3)ncn2)CCCCO1 ZINC001603808255 1175640354 /nfs/dbraw/zinc/64/03/54/1175640354.db2.gz YQTUJEHFKSQTLN-LBPRGKRZSA-N -1 1 275.316 1.028 20 0 CDADMM C[C@@]1(CNc2cc(-c3nn[n-]n3)ncn2)CCCCO1 ZINC001603808255 1175640357 /nfs/dbraw/zinc/64/03/57/1175640357.db2.gz YQTUJEHFKSQTLN-LBPRGKRZSA-N -1 1 275.316 1.028 20 0 CDADMM CC1CC(COC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001603850195 1175652856 /nfs/dbraw/zinc/65/28/56/1175652856.db2.gz DCFUPOGCPKKEQJ-UHFFFAOYSA-N -1 1 287.323 1.394 20 0 CDADMM CC1CC(COC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001603850195 1175652860 /nfs/dbraw/zinc/65/28/60/1175652860.db2.gz DCFUPOGCPKKEQJ-UHFFFAOYSA-N -1 1 287.323 1.394 20 0 CDADMM CC1CC(COC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001603850770 1175654853 /nfs/dbraw/zinc/65/48/53/1175654853.db2.gz KDGKJWYSFNZWBM-UHFFFAOYSA-N -1 1 273.296 1.465 20 0 CDADMM CC1CC(COC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001603850770 1175654857 /nfs/dbraw/zinc/65/48/57/1175654857.db2.gz KDGKJWYSFNZWBM-UHFFFAOYSA-N -1 1 273.296 1.465 20 0 CDADMM C[C@H]1CC[C@@H](COC(=O)c2ccc(-c3nn[n-]n3)o2)O1 ZINC001603878535 1175666649 /nfs/dbraw/zinc/66/66/49/1175666649.db2.gz TXNFNMSXVHMOLE-YUMQZZPRSA-N -1 1 278.268 1.184 20 0 CDADMM C[C@@H]1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001603903333 1175676525 /nfs/dbraw/zinc/67/65/25/1175676525.db2.gz KTXVABJQUHBEQJ-BDAKNGLRSA-N -1 1 275.312 1.578 20 0 CDADMM C[C@@H]1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001603903333 1175676528 /nfs/dbraw/zinc/67/65/28/1175676528.db2.gz KTXVABJQUHBEQJ-BDAKNGLRSA-N -1 1 275.312 1.578 20 0 CDADMM C[C@H]1CCN(c2ccc(-c3nn[nH]n3)c(N)[nH+]2)[C@H]1C ZINC001603908095 1175680691 /nfs/dbraw/zinc/68/06/91/1175680691.db2.gz BFORXSZMMFPADN-YUMQZZPRSA-N -1 1 259.317 1.079 20 0 CDADMM CC(C)c1ncc(CNC(=O)c2cc(C(=O)[O-])ccn2)[nH]1 ZINC001604013794 1175719922 /nfs/dbraw/zinc/71/99/22/1175719922.db2.gz LSDWRFLFXWVXSB-UHFFFAOYSA-N -1 1 288.307 1.556 20 0 CDADMM CC[C@H]1CC[C@H](C)N1c1cc(-c2nnn[n-]2)ncn1 ZINC001604097729 1175757943 /nfs/dbraw/zinc/75/79/43/1175757943.db2.gz AEUZBGDZYIHVHQ-IUCAKERBSA-N -1 1 259.317 1.424 20 0 CDADMM CC[C@H]1CC[C@H](C)N1c1cc(-c2nn[n-]n2)ncn1 ZINC001604097729 1175757949 /nfs/dbraw/zinc/75/79/49/1175757949.db2.gz AEUZBGDZYIHVHQ-IUCAKERBSA-N -1 1 259.317 1.424 20 0 CDADMM CC[C@H]1CCC[C@]1(C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001604101652 1175760106 /nfs/dbraw/zinc/76/01/06/1175760106.db2.gz ZDVSUAPRVWHWLP-SDBXPKJASA-N -1 1 289.343 1.502 20 0 CDADMM CC[C@@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001604103239 1175760145 /nfs/dbraw/zinc/76/01/45/1175760145.db2.gz SLAXLMLDHKISKW-SNVBAGLBSA-N -1 1 273.344 1.592 20 0 CDADMM CC[C@@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001604103239 1175760150 /nfs/dbraw/zinc/76/01/50/1175760150.db2.gz SLAXLMLDHKISKW-SNVBAGLBSA-N -1 1 273.344 1.592 20 0 CDADMM O=S(=O)([N-]C[C@H]1CCOC1)c1cc2ccccc2o1 ZINC000134039910 1175811357 /nfs/dbraw/zinc/81/13/57/1175811357.db2.gz FEAKSKHHNASIQH-SNVBAGLBSA-N -1 1 281.333 1.748 20 0 CDADMM NC(=O)CN(C(=O)c1ccc([O-])cc1F)C1CCCC1 ZINC000229789863 1178135497 /nfs/dbraw/zinc/13/54/97/1178135497.db2.gz YIRYARFKAZEEJE-UHFFFAOYSA-N -1 1 280.299 1.401 20 0 CDADMM Cc1cncc([N-]S(=O)(=O)c2ccc(O)cc2)c1 ZINC000232079384 1178186172 /nfs/dbraw/zinc/18/61/72/1178186172.db2.gz BLLUSRXIBAIZDW-UHFFFAOYSA-N -1 1 264.306 1.896 20 0 CDADMM O=C([O-])C[C@H]1CSCCN1Cc1cncs1 ZINC000161225403 1178679781 /nfs/dbraw/zinc/67/97/81/1178679781.db2.gz HAZHYVIIMXMALP-QMMMGPOBSA-N -1 1 258.368 1.535 20 0 CDADMM Cc1csc(CCCNC(=O)c2ncccc2[O-])n1 ZINC000171097596 1181236752 /nfs/dbraw/zinc/23/67/52/1181236752.db2.gz IIXBLPCOJYXISH-UHFFFAOYSA-N -1 1 277.349 1.915 20 0 CDADMM CC(C)CCOc1ccc(C(=O)N(C)c2nn[n-]n2)cc1 ZINC001771896905 1184792820 /nfs/dbraw/zinc/79/28/20/1184792820.db2.gz SBCFHPJKJRPMED-UHFFFAOYSA-N -1 1 289.339 1.901 20 0 CDADMM CCc1onc(C)c1[N-]C(=O)c1cnc(C(=O)OC)cn1 ZINC001771646104 1186821276 /nfs/dbraw/zinc/82/12/76/1186821276.db2.gz FZXQLXXIOPPQPC-UHFFFAOYSA-N -1 1 290.279 1.374 20 0 CDADMM CN(Cc1ccc(S(C)(=O)=O)cc1)C(C)(C)CC(=O)[O-] ZINC001771908068 1186945123 /nfs/dbraw/zinc/94/51/23/1186945123.db2.gz FOXJKGLPAPFNQV-UHFFFAOYSA-N -1 1 299.392 1.775 20 0 CDADMM COCC1CN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC001771922156 1186958024 /nfs/dbraw/zinc/95/80/24/1186958024.db2.gz LFCOTSUNVPPYNF-UHFFFAOYSA-N -1 1 279.340 1.332 20 0 CDADMM CC(C)n1cc(CN2CC[C@H](C(=O)[O-])[C@H]2C)nn1 ZINC000385107599 1187268653 /nfs/dbraw/zinc/26/86/53/1187268653.db2.gz OPUFPFAJCMIZIA-KOLCDFICSA-N -1 1 252.318 1.154 20 0 CDADMM